NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5816 | 1hzk | 4946 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 -14.372 -7.040 2.322 2 2H ALA 1 2H ALA 1 -15.218 -7.287 3.773 3 3H ALA 1 3H ALA 1 -15.171 -5.743 3.070 4 HA ALA 1 HA ALA 1 -16.943 -7.939 2.524 5 1HB ALA 1 1HB ALA 1 -16.901 -5.147 2.915 6 2HB ALA 1 2HB ALA 1 -18.316 -6.141 2.575 7 3HB ALA 1 3HB ALA 1 -17.439 -5.377 1.252 8 HA PRO 2 HA PRO 2 -15.863 -6.853 -1.988 9 1HB PRO 2 2HB PRO 2 -13.758 -5.181 -2.473 10 2HB PRO 2 1HB PRO 2 -15.421 -4.599 -2.230 11 1HG PRO 2 2HG PRO 2 -13.124 -4.615 -0.341 12 2HG PRO 2 1HG PRO 2 -14.420 -3.425 -0.537 13 1HD PRO 2 2HD PRO 2 -14.333 -5.318 1.465 14 2HD PRO 2 1HD PRO 2 -15.816 -4.532 0.887 15 H ALA 3 H ALA 3 -13.579 -7.087 -3.444 16 HA ALA 3 HA ALA 3 -11.732 -8.858 -1.899 17 1HB ALA 3 1HB ALA 3 -13.719 -10.007 -3.119 18 2HB ALA 3 2HB ALA 3 -12.102 -10.666 -3.366 19 3HB ALA 3 3HB ALA 3 -12.831 -9.632 -4.595 20 H PHE 4 H PHE 4 -9.686 -8.220 -2.326 21 HA PHE 4 HA PHE 4 -8.966 -7.326 -5.082 22 1HB PHE 4 2HB PHE 4 -9.454 -5.312 -3.799 23 2HB PHE 4 1HB PHE 4 -8.459 -5.883 -2.460 24 HD1 PHE 4 HD1 PHE 4 -6.146 -5.403 -2.394 25 HD2 PHE 4 HD2 PHE 4 -8.301 -4.979 -6.078 26 HE1 PHE 4 HE1 PHE 4 -4.149 -4.375 -3.448 27 HE2 PHE 4 HE2 PHE 4 -6.311 -3.953 -7.136 28 HZ PHE 4 HZ PHE 4 -4.231 -3.651 -5.819 29 H SER 5 H SER 5 -7.636 -9.145 -5.455 30 HA SER 5 HA SER 5 -5.292 -9.385 -3.600 31 1HB SER 5 2HB SER 5 -6.412 -11.267 -2.934 32 2HB SER 5 1HB SER 5 -7.358 -11.351 -4.416 33 HG SER 5 HG SER 5 -5.927 -13.026 -4.497 34 H VAL 6 H VAL 6 -3.536 -10.759 -4.690 35 HA VAL 6 HA VAL 6 -3.510 -10.393 -7.660 36 HB VAL 6 HB VAL 6 -2.392 -8.548 -6.241 37 1HG1 VAL 6 1HG1 VAL 6 -1.409 -10.164 -4.592 38 2HG1 VAL 6 2HG1 VAL 6 -0.220 -9.061 -5.284 39 3HG1 VAL 6 3HG1 VAL 6 -0.318 -10.727 -5.858 40 1HG2 VAL 6 1HG2 VAL 6 -1.519 -8.280 -8.314 41 2HG2 VAL 6 2HG2 VAL 6 -1.394 -10.020 -8.568 42 3HG2 VAL 6 3HG2 VAL 6 -0.116 -9.162 -7.711 43 H SER 7 H SER 7 -2.835 -12.314 -8.628 44 HA SER 7 HA SER 7 -2.326 -14.710 -7.310 45 1HB SER 7 2HB SER 7 -1.654 -13.545 -9.970 46 2HB SER 7 1HB SER 7 -0.892 -15.074 -9.545 47 HG SER 7 HG SER 7 -3.136 -14.974 -10.584 48 HA PRO 8 HA PRO 8 2.366 -14.213 -7.164 49 1HB PRO 8 2HB PRO 8 3.631 -12.216 -8.524 50 2HB PRO 8 1HB PRO 8 3.212 -13.768 -9.274 51 1HG PRO 8 2HG PRO 8 1.848 -11.134 -9.493 52 2HG PRO 8 1HG PRO 8 2.094 -12.385 -10.720 53 1HD PRO 8 2HD PRO 8 -0.270 -11.992 -9.376 54 2HD PRO 8 1HD PRO 8 0.233 -13.535 -10.101 55 H ALA 9 H ALA 9 2.000 -13.474 -4.997 56 HA ALA 9 HA ALA 9 1.920 -10.523 -4.538 57 1HB ALA 9 1HB ALA 9 1.019 -11.129 -2.396 58 2HB ALA 9 2HB ALA 9 1.570 -12.794 -2.566 59 3HB ALA 9 3HB ALA 9 0.249 -12.195 -3.571 60 H SER 10 H SER 10 4.256 -12.804 -4.888 61 HA SER 10 HA SER 10 6.172 -11.282 -3.233 62 1HB SER 10 2HB SER 10 6.814 -13.231 -1.934 63 2HB SER 10 1HB SER 10 5.075 -13.006 -1.768 64 HG SER 10 HG SER 10 6.390 -14.758 -3.584 65 H GLY 11 H GLY 11 8.441 -12.134 -3.631 66 1HA GLY 11 2HA GLY 11 10.126 -12.729 -5.143 67 2HA GLY 11 1HA GLY 11 9.040 -14.013 -5.675 68 H LEU 12 H LEU 12 8.544 -10.495 -5.825 69 HA LEU 12 HA LEU 12 7.848 -10.745 -8.693 70 1HB LEU 12 2HB LEU 12 7.820 -8.413 -6.749 71 2HB LEU 12 1HB LEU 12 7.080 -8.422 -8.350 72 HG LEU 12 HG LEU 12 6.354 -10.326 -6.106 73 1HD1 LEU 12 1HD1 LEU 12 4.131 -8.850 -6.547 74 2HD1 LEU 12 2HD1 LEU 12 5.361 -7.640 -6.909 75 3HD1 LEU 12 3HD1 LEU 12 5.334 -8.424 -5.329 76 1HD2 LEU 12 1HD2 LEU 12 4.407 -10.789 -7.636 77 2HD2 LEU 12 2HD2 LEU 12 5.961 -11.304 -8.292 78 3HD2 LEU 12 3HD2 LEU 12 5.209 -9.818 -8.870 79 H SER 13 H SER 13 9.161 -9.979 -10.341 80 HA SER 13 HA SER 13 11.767 -8.765 -9.542 81 1HB SER 13 2HB SER 13 11.176 -11.025 -10.983 82 2HB SER 13 1HB SER 13 11.415 -9.839 -12.263 83 HG SER 13 HG SER 13 13.363 -9.302 -10.807 84 H ASP 14 H ASP 14 12.599 -7.031 -10.914 85 HA ASP 14 HA ASP 14 10.749 -4.997 -11.594 86 1HB ASP 14 2HB ASP 14 12.726 -3.981 -12.696 87 2HB ASP 14 1HB ASP 14 13.158 -4.688 -11.139 88 H GLY 15 H GLY 15 9.285 -5.016 -13.231 89 1HA GLY 15 2HA GLY 15 8.793 -4.972 -15.607 90 2HA GLY 15 1HA GLY 15 10.090 -6.138 -15.852 91 H GLN 16 H GLN 16 9.322 -7.891 -13.671 92 HA GLN 16 HA GLN 16 7.667 -9.754 -14.933 93 1HB GLN 16 2HB GLN 16 9.068 -9.826 -12.750 94 2HB GLN 16 1HB GLN 16 7.599 -9.256 -11.959 95 1HG GLN 16 2HG GLN 16 6.367 -11.189 -12.623 96 2HG GLN 16 1HG GLN 16 7.621 -11.679 -13.766 97 1HE2 GLN 16 1HE2 GLN 16 6.515 -13.142 -11.334 98 2HE2 GLN 16 2HE2 GLN 16 7.881 -13.492 -10.389 99 H SER 17 H SER 17 5.425 -10.074 -15.055 100 HA SER 17 HA SER 17 3.734 -7.732 -14.370 101 1HB SER 17 2HB SER 17 2.214 -8.714 -15.951 102 2HB SER 17 1HB SER 17 3.828 -8.886 -16.636 103 HG SER 17 HG SER 17 3.721 -11.012 -15.397 104 H VAL 18 H VAL 18 1.615 -8.139 -13.335 105 HA VAL 18 HA VAL 18 1.568 -10.567 -11.592 106 HB VAL 18 HB VAL 18 0.709 -8.967 -9.817 107 1HG1 VAL 18 1HG1 VAL 18 3.475 -8.429 -10.942 108 2HG1 VAL 18 2HG1 VAL 18 3.048 -9.750 -9.854 109 3HG1 VAL 18 3HG1 VAL 18 2.951 -8.082 -9.294 110 1HG2 VAL 18 1HG2 VAL 18 0.171 -7.218 -11.663 111 2HG2 VAL 18 2HG2 VAL 18 1.879 -6.800 -11.570 112 3HG2 VAL 18 3HG2 VAL 18 0.849 -6.627 -10.148 113 H SER 19 H SER 19 -0.578 -11.279 -11.076 114 HA SER 19 HA SER 19 -2.652 -10.263 -12.959 115 1HB SER 19 2HB SER 19 -2.830 -12.686 -11.182 116 2HB SER 19 1HB SER 19 -3.578 -12.422 -12.755 117 HG SER 19 HG SER 19 -1.861 -13.274 -13.596 118 H VAL 20 H VAL 20 -4.164 -8.875 -12.134 119 HA VAL 20 HA VAL 20 -4.631 -8.914 -9.182 120 HB VAL 20 HB VAL 20 -4.666 -6.828 -11.348 121 1HG1 VAL 20 1HG1 VAL 20 -6.009 -6.651 -8.629 122 2HG1 VAL 20 2HG1 VAL 20 -6.784 -6.488 -10.206 123 3HG1 VAL 20 3HG1 VAL 20 -5.650 -5.255 -9.650 124 1HG2 VAL 20 1HG2 VAL 20 -2.603 -7.271 -10.057 125 2HG2 VAL 20 2HG2 VAL 20 -3.479 -6.960 -8.559 126 3HG2 VAL 20 3HG2 VAL 20 -3.233 -5.660 -9.722 127 H SER 21 H SER 21 -6.759 -8.986 -8.429 128 HA SER 21 HA SER 21 -8.939 -9.221 -10.470 129 1HB SER 21 2HB SER 21 -9.696 -11.254 -9.158 130 2HB SER 21 1HB SER 21 -8.184 -11.470 -10.033 131 HG SER 21 HG SER 21 -8.179 -12.170 -7.785 132 H VAL 22 H VAL 22 -10.683 -8.015 -9.834 133 HA VAL 22 HA VAL 22 -10.965 -7.339 -6.921 134 HB VAL 22 HB VAL 22 -11.381 -5.757 -9.466 135 1HG1 VAL 22 1HG1 VAL 22 -11.941 -4.023 -7.402 136 2HG1 VAL 22 2HG1 VAL 22 -12.727 -5.506 -6.860 137 3HG1 VAL 22 3HG1 VAL 22 -13.154 -4.802 -8.419 138 1HG2 VAL 22 1HG2 VAL 22 -9.887 -4.971 -6.973 139 2HG2 VAL 22 2HG2 VAL 22 -9.702 -4.334 -8.605 140 3HG2 VAL 22 3HG2 VAL 22 -9.122 -5.954 -8.219 141 H SER 23 H SER 23 -12.595 -8.840 -6.360 142 HA SER 23 HA SER 23 -15.161 -8.580 -7.892 143 1HB SER 23 2HB SER 23 -15.278 -11.107 -7.001 144 2HB SER 23 1HB SER 23 -14.524 -10.693 -8.536 145 HG SER 23 HG SER 23 -13.319 -12.010 -6.851 146 H GLY 24 H GLY 24 -16.478 -7.504 -6.475 147 1HA GLY 24 2HA GLY 24 -17.532 -8.645 -4.155 148 2HA GLY 24 1HA GLY 24 -16.180 -7.657 -3.607 149 H ALA 25 H ALA 25 -16.272 -5.452 -5.194 150 HA ALA 25 HA ALA 25 -18.358 -3.867 -4.090 151 1HB ALA 25 1HB ALA 25 -16.033 -3.449 -5.398 152 2HB ALA 25 2HB ALA 25 -17.258 -2.191 -5.225 153 3HB ALA 25 3HB ALA 25 -17.161 -3.131 -6.715 154 H ALA 26 H ALA 26 -18.959 -2.639 -6.870 155 HA ALA 26 HA ALA 26 -20.491 -4.521 -8.402 156 1HB ALA 26 1HB ALA 26 -22.349 -2.827 -6.816 157 2HB ALA 26 2HB ALA 26 -21.553 -4.138 -5.938 158 3HB ALA 26 3HB ALA 26 -22.538 -4.494 -7.358 159 H ALA 27 H ALA 27 -21.933 -3.380 -9.969 160 HA ALA 27 HA ALA 27 -20.734 -1.151 -11.201 161 1HB ALA 27 1HB ALA 27 -23.672 -1.463 -11.437 162 2HB ALA 27 2HB ALA 27 -22.725 -2.920 -11.736 163 3HB ALA 27 3HB ALA 27 -22.438 -1.469 -12.697 164 H GLY 28 H GLY 28 -20.731 0.997 -10.702 165 1HA GLY 28 2HA GLY 28 -22.179 2.970 -10.128 166 2HA GLY 28 1HA GLY 28 -22.805 1.988 -8.806 167 H GLU 29 H GLU 29 -19.434 1.643 -9.482 168 HA GLU 29 HA GLU 29 -18.626 3.727 -7.540 169 1HB GLU 29 2HB GLU 29 -18.967 0.848 -6.958 170 2HB GLU 29 1HB GLU 29 -17.432 1.531 -6.419 171 1HG GLU 29 2HG GLU 29 -20.137 2.752 -5.806 172 2HG GLU 29 1HG GLU 29 -19.254 1.701 -4.699 173 H THR 30 H THR 30 -16.677 4.527 -8.249 174 HA THR 30 HA THR 30 -15.116 2.976 -10.246 175 HB THR 30 HB THR 30 -14.402 5.715 -9.257 176 HG1 THR 30 HG1 THR 30 -16.199 6.551 -9.923 177 1HG2 THR 30 1HG2 THR 30 -13.899 6.055 -11.637 178 2HG2 THR 30 2HG2 THR 30 -14.566 4.467 -12.016 179 3HG2 THR 30 3HG2 THR 30 -13.099 4.597 -11.046 180 H TYR 31 H TYR 31 -12.640 3.127 -9.955 181 HA TYR 31 HA TYR 31 -11.732 3.241 -7.139 182 1HB TYR 31 2HB TYR 31 -11.652 0.758 -8.876 183 2HB TYR 31 1HB TYR 31 -10.880 0.903 -7.298 184 HD1 TYR 31 HD1 TYR 31 -12.431 1.680 -5.324 185 HD2 TYR 31 HD2 TYR 31 -13.862 0.005 -9.012 186 HE1 TYR 31 HE1 TYR 31 -14.577 1.095 -4.229 187 HE2 TYR 31 HE2 TYR 31 -16.002 -0.574 -7.909 188 HH TYR 31 HH TYR 31 -17.239 -0.382 -6.072 189 H TYR 32 H TYR 32 -9.394 3.297 -6.990 190 HA TYR 32 HA TYR 32 -8.018 3.789 -9.612 191 1HB TYR 32 2HB TYR 32 -7.658 5.114 -6.902 192 2HB TYR 32 1HB TYR 32 -6.736 5.506 -8.352 193 HD1 TYR 32 HD1 TYR 32 -8.126 6.171 -10.472 194 HD2 TYR 32 HD2 TYR 32 -9.665 6.250 -6.461 195 HE1 TYR 32 HE1 TYR 32 -9.913 7.738 -11.187 196 HE2 TYR 32 HE2 TYR 32 -11.450 7.816 -7.177 197 HH TYR 32 HH TYR 32 -11.399 9.394 -10.220 198 H ILE 33 H ILE 33 -6.674 2.023 -9.902 199 HA ILE 33 HA ILE 33 -5.431 0.730 -7.524 200 HB ILE 33 HB ILE 33 -6.484 -0.747 -9.095 201 1HG1 ILE 33 2HG1 ILE 33 -3.558 -0.833 -9.852 202 2HG1 ILE 33 1HG1 ILE 33 -4.126 -1.303 -8.249 203 1HG2 ILE 33 1HG2 ILE 33 -6.740 0.512 -11.067 204 2HG2 ILE 33 2HG2 ILE 33 -5.551 -0.705 -11.530 205 3HG2 ILE 33 3HG2 ILE 33 -5.029 0.930 -11.133 206 1HD1 ILE 33 1HD1 ILE 33 -3.934 -3.250 -9.788 207 2HD1 ILE 33 2HD1 ILE 33 -5.123 -2.497 -10.850 208 3HD1 ILE 33 3HD1 ILE 33 -5.586 -3.000 -9.225 209 H ALA 34 H ALA 34 -3.402 1.389 -6.928 210 HA ALA 34 HA ALA 34 -1.399 1.971 -9.031 211 1HB ALA 34 1HB ALA 34 -2.539 3.930 -7.044 212 2HB ALA 34 2HB ALA 34 -2.340 4.124 -8.784 213 3HB ALA 34 3HB ALA 34 -0.929 4.162 -7.726 214 H GLN 35 H GLN 35 0.793 2.113 -8.131 215 HA GLN 35 HA GLN 35 1.058 0.711 -5.493 216 1HB GLN 35 2HB GLN 35 1.799 -0.613 -7.394 217 2HB GLN 35 1HB GLN 35 2.742 0.740 -8.020 218 1HG GLN 35 2HG GLN 35 4.251 0.645 -6.127 219 2HG GLN 35 1HG GLN 35 3.247 -0.574 -5.337 220 1HE2 GLN 35 1HE2 GLN 35 5.290 -0.047 -8.245 221 2HE2 GLN 35 2HE2 GLN 35 5.647 -1.691 -8.478 222 H CYS 36 H CYS 36 2.227 1.802 -3.913 223 HA CYS 36 HA CYS 36 3.958 4.083 -4.780 224 1HB CYS 36 2HB CYS 36 1.664 4.065 -2.815 225 2HB CYS 36 1HB CYS 36 2.884 5.337 -2.820 226 H ALA 37 H ALA 37 5.564 4.675 -3.202 227 HA ALA 37 HA ALA 37 5.908 2.948 -0.820 228 1HB ALA 37 1HB ALA 37 6.912 1.726 -2.719 229 2HB ALA 37 2HB ALA 37 8.169 2.285 -1.615 230 3HB ALA 37 3HB ALA 37 7.878 3.144 -3.126 231 HA PRO 38 HA PRO 38 7.439 6.815 0.620 232 1HB PRO 38 2HB PRO 38 8.811 5.956 2.823 233 2HB PRO 38 1HB PRO 38 7.043 6.076 2.759 234 1HG PRO 38 2HG PRO 38 8.788 3.681 2.461 235 2HG PRO 38 1HG PRO 38 7.224 3.843 3.277 236 1HD PRO 38 2HD PRO 38 7.510 2.736 0.796 237 2HD PRO 38 1HD PRO 38 6.031 3.565 1.333 238 H VAL 39 H VAL 39 9.489 7.949 0.918 239 HA VAL 39 HA VAL 39 11.847 6.483 -0.225 240 HB VAL 39 HB VAL 39 12.305 8.780 -1.299 241 1HG1 VAL 39 1HG1 VAL 39 9.740 7.425 -2.171 242 2HG1 VAL 39 2HG1 VAL 39 11.338 6.732 -2.453 243 3HG1 VAL 39 3HG1 VAL 39 10.905 8.277 -3.187 244 1HG2 VAL 39 1HG2 VAL 39 10.799 10.466 -1.065 245 2HG2 VAL 39 2HG2 VAL 39 10.231 9.561 0.338 246 3HG2 VAL 39 3HG2 VAL 39 9.423 9.373 -1.216 247 H GLY 40 H GLY 40 13.939 7.532 0.396 248 1HA GLY 40 2HA GLY 40 14.245 7.953 3.151 249 2HA GLY 40 1HA GLY 40 15.393 8.539 1.945 250 H GLY 41 H GLY 41 13.115 10.148 0.718 251 1HA GLY 41 2HA GLY 41 13.526 12.519 2.406 252 2HA GLY 41 1HA GLY 41 12.776 12.502 0.813 253 H GLN 42 H GLN 42 10.608 11.315 0.758 254 HA GLN 42 HA GLN 42 9.105 11.481 3.315 255 1HB GLN 42 2HB GLN 42 9.018 13.715 2.349 256 2HB GLN 42 1HB GLN 42 8.535 13.053 0.788 257 1HG GLN 42 2HG GLN 42 6.490 13.732 1.713 258 2HG GLN 42 1HG GLN 42 6.545 12.014 2.108 259 1HE2 GLN 42 1HE2 GLN 42 6.569 15.242 3.467 260 2HE2 GLN 42 2HE2 GLN 42 6.628 14.767 5.095 261 H ASP 43 H ASP 43 7.709 11.529 0.068 262 HA ASP 43 HA ASP 43 7.242 8.595 0.110 263 1HB ASP 43 2HB ASP 43 5.111 10.740 0.320 264 2HB ASP 43 1HB ASP 43 4.754 9.068 -0.119 265 H ALA 44 H ALA 44 6.547 7.794 -1.974 266 HA ALA 44 HA ALA 44 6.375 9.777 -4.193 267 1HB ALA 44 1HB ALA 44 8.688 8.328 -3.464 268 2HB ALA 44 2HB ALA 44 8.441 9.254 -4.946 269 3HB ALA 44 3HB ALA 44 8.059 7.533 -4.908 270 H CYS 45 H CYS 45 5.294 8.923 -6.062 271 HA CYS 45 HA CYS 45 4.085 6.195 -5.733 272 1HB CYS 45 2HB CYS 45 2.888 8.902 -6.156 273 2HB CYS 45 1HB CYS 45 2.106 7.532 -6.941 274 H ASN 46 H ASN 46 3.551 5.146 -7.786 275 HA ASN 46 HA ASN 46 5.333 5.984 -9.992 276 1HB ASN 46 2HB ASN 46 5.004 3.629 -9.079 277 2HB ASN 46 1HB ASN 46 3.415 3.654 -9.839 278 1HD2 ASN 46 1HD2 ASN 46 6.080 2.149 -10.482 279 2HD2 ASN 46 2HD2 ASN 46 6.284 2.417 -12.146 280 HA PRO 47 HA PRO 47 1.847 7.959 -11.959 281 1HB PRO 47 2HB PRO 47 3.253 9.085 -14.002 282 2HB PRO 47 1HB PRO 47 3.256 9.743 -12.354 283 1HG PRO 47 2HG PRO 47 5.338 8.186 -13.766 284 2HG PRO 47 1HG PRO 47 5.504 9.415 -12.505 285 1HD PRO 47 2HD PRO 47 5.677 6.642 -12.137 286 2HD PRO 47 1HD PRO 47 5.482 7.859 -10.857 287 H ALA 48 H ALA 48 4.289 6.150 -13.815 288 HA ALA 48 HA ALA 48 2.765 5.695 -16.175 289 1HB ALA 48 1HB ALA 48 4.697 4.663 -16.719 290 2HB ALA 48 2HB ALA 48 4.506 3.496 -15.411 291 3HB ALA 48 3HB ALA 48 5.263 5.056 -15.096 292 H THR 49 H THR 49 3.065 3.688 -13.236 293 HA THR 49 HA THR 49 1.146 1.710 -14.229 294 HB THR 49 HB THR 49 1.493 0.796 -11.918 295 HG1 THR 49 HG1 THR 49 2.413 1.992 -10.456 296 1HG2 THR 49 1HG2 THR 49 3.038 0.087 -13.609 297 2HG2 THR 49 2HG2 THR 49 3.991 0.486 -12.180 298 3HG2 THR 49 3HG2 THR 49 3.913 1.617 -13.530 299 H ALA 50 H ALA 50 0.639 4.791 -13.307 300 HA ALA 50 HA ALA 50 -1.485 4.492 -11.334 301 1HB ALA 50 1HB ALA 50 0.122 6.500 -12.251 302 2HB ALA 50 2HB ALA 50 -1.354 6.774 -11.326 303 3HB ALA 50 3HB ALA 50 -1.386 6.875 -13.086 304 H THR 51 H THR 51 -3.247 3.275 -12.040 305 HA THR 51 HA THR 51 -4.641 4.250 -14.488 306 HB THR 51 HB THR 51 -3.326 2.219 -14.992 307 HG1 THR 51 HG1 THR 51 -6.118 1.779 -14.768 308 1HG2 THR 51 1HG2 THR 51 -3.417 0.283 -13.727 309 2HG2 THR 51 2HG2 THR 51 -5.041 0.628 -13.128 310 3HG2 THR 51 3HG2 THR 51 -3.652 1.489 -12.462 311 H SER 52 H SER 52 -6.967 3.609 -14.480 312 HA SER 52 HA SER 52 -8.009 3.051 -11.731 313 1HB SER 52 2HB SER 52 -9.273 4.980 -11.787 314 2HB SER 52 1HB SER 52 -7.955 5.512 -12.826 315 HG SER 52 HG SER 52 -9.332 4.523 -14.562 316 H PHE 53 H PHE 53 -10.261 2.228 -11.784 317 HA PHE 53 HA PHE 53 -11.254 1.223 -14.384 318 1HB PHE 53 2HB PHE 53 -11.162 -1.094 -13.656 319 2HB PHE 53 1HB PHE 53 -9.556 -0.398 -13.449 320 HD1 PHE 53 HD1 PHE 53 -8.693 0.154 -11.210 321 HD2 PHE 53 HD2 PHE 53 -12.549 -1.665 -11.746 322 HE1 PHE 53 HE1 PHE 53 -8.755 -0.426 -8.799 323 HE2 PHE 53 HE2 PHE 53 -12.612 -2.244 -9.336 324 HZ PHE 53 HZ PHE 53 -10.714 -1.626 -7.862 325 H THR 54 H THR 54 -13.430 0.039 -13.953 326 HA THR 54 HA THR 54 -14.801 1.195 -11.564 327 HB THR 54 HB THR 54 -15.750 1.054 -14.441 328 HG1 THR 54 HG1 THR 54 -14.603 2.817 -14.476 329 1HG2 THR 54 1HG2 THR 54 -17.128 1.526 -11.882 330 2HG2 THR 54 2HG2 THR 54 -17.788 1.049 -13.445 331 3HG2 THR 54 3HG2 THR 54 -17.444 2.748 -13.114 332 H THR 55 H THR 55 -16.679 -0.074 -10.857 333 HA THR 55 HA THR 55 -16.364 -2.970 -11.420 334 HB THR 55 HB THR 55 -18.436 -2.708 -9.654 335 HG1 THR 55 HG1 THR 55 -18.466 -0.603 -9.361 336 1HG2 THR 55 1HG2 THR 55 -16.938 -3.841 -8.433 337 2HG2 THR 55 2HG2 THR 55 -15.969 -2.385 -8.220 338 3HG2 THR 55 3HG2 THR 55 -15.701 -3.423 -9.618 339 H ASP 56 H ASP 56 -18.618 -4.200 -11.527 340 HA ASP 56 HA ASP 56 -20.864 -2.863 -12.737 341 1HB ASP 56 2HB ASP 56 -18.974 -2.616 -14.455 342 2HB ASP 56 1HB ASP 56 -19.131 -4.350 -14.721 343 H ALA 57 H ALA 57 -19.453 -5.906 -13.905 344 HA ALA 57 HA ALA 57 -21.808 -7.414 -13.486 345 1HB ALA 57 1HB ALA 57 -19.376 -8.975 -13.579 346 2HB ALA 57 2HB ALA 57 -19.301 -7.655 -14.745 347 3HB ALA 57 3HB ALA 57 -20.626 -8.817 -14.810 348 H SER 58 H SER 58 -22.287 -6.982 -11.312 349 HA SER 58 HA SER 58 -22.352 -7.602 -9.037 350 1HB SER 58 2HB SER 58 -21.481 -9.797 -10.540 351 2HB SER 58 1HB SER 58 -20.293 -9.665 -9.249 352 HG SER 58 HG SER 58 -21.763 -10.274 -7.870 353 H GLY 59 H GLY 59 -20.118 -5.949 -10.505 354 1HA GLY 59 2HA GLY 59 -18.430 -4.555 -9.609 355 2HA GLY 59 1HA GLY 59 -18.618 -5.368 -8.059 356 H ALA 60 H ALA 60 -17.704 -6.512 -11.324 357 HA ALA 60 HA ALA 60 -15.397 -7.905 -10.044 358 1HB ALA 60 1HB ALA 60 -15.554 -9.420 -11.940 359 2HB ALA 60 2HB ALA 60 -16.707 -8.348 -12.735 360 3HB ALA 60 3HB ALA 60 -17.169 -9.205 -11.266 361 H ALA 61 H ALA 61 -13.304 -7.687 -10.989 362 HA ALA 61 HA ALA 61 -12.910 -6.023 -13.368 363 1HB ALA 61 1HB ALA 61 -12.703 -5.005 -10.574 364 2HB ALA 61 2HB ALA 61 -13.172 -4.153 -12.046 365 3HB ALA 61 3HB ALA 61 -11.470 -4.468 -11.714 366 H SER 62 H SER 62 -11.820 -8.181 -13.761 367 HA SER 62 HA SER 62 -9.219 -8.521 -12.318 368 1HB SER 62 2HB SER 62 -10.722 -10.270 -14.291 369 2HB SER 62 1HB SER 62 -9.298 -10.752 -13.373 370 HG SER 62 HG SER 62 -11.829 -9.963 -12.334 371 H PHE 63 H PHE 63 -7.321 -7.928 -13.363 372 HA PHE 63 HA PHE 63 -7.235 -7.921 -16.330 373 1HB PHE 63 2HB PHE 63 -6.326 -5.465 -16.091 374 2HB PHE 63 1HB PHE 63 -8.066 -5.746 -16.084 375 HD1 PHE 63 HD1 PHE 63 -9.331 -4.831 -14.352 376 HD2 PHE 63 HD2 PHE 63 -5.160 -5.627 -13.703 377 HE1 PHE 63 HE1 PHE 63 -9.488 -3.808 -12.099 378 HE2 PHE 63 HE2 PHE 63 -5.316 -4.605 -11.449 379 HZ PHE 63 HZ PHE 63 -7.481 -3.696 -10.647 380 H SER 64 H SER 64 -4.969 -7.229 -17.082 381 HA SER 64 HA SER 64 -2.961 -8.560 -15.351 382 1HB SER 64 2HB SER 64 -3.142 -7.656 -18.224 383 2HB SER 64 1HB SER 64 -1.611 -8.190 -17.535 384 HG SER 64 HG SER 64 -2.796 -10.125 -16.892 385 H PHE 65 H PHE 65 -1.597 -7.372 -14.123 386 HA PHE 65 HA PHE 65 -1.122 -4.491 -14.804 387 1HB PHE 65 2HB PHE 65 -2.466 -5.130 -12.737 388 2HB PHE 65 1HB PHE 65 -1.004 -5.881 -12.111 389 HD1 PHE 65 HD1 PHE 65 0.153 -4.594 -10.574 390 HD2 PHE 65 HD2 PHE 65 -1.869 -2.665 -13.835 391 HE1 PHE 65 HE1 PHE 65 0.942 -2.393 -9.761 392 HE2 PHE 65 HE2 PHE 65 -1.077 -0.464 -13.018 393 HZ PHE 65 HZ PHE 65 0.327 -0.333 -10.982 394 H VAL 66 H VAL 66 1.103 -3.928 -13.350 395 HA VAL 66 HA VAL 66 3.096 -6.102 -13.726 396 HB VAL 66 HB VAL 66 3.495 -3.342 -14.890 397 1HG1 VAL 66 1HG1 VAL 66 5.581 -4.351 -14.828 398 2HG1 VAL 66 2HG1 VAL 66 5.005 -4.961 -16.379 399 3HG1 VAL 66 3HG1 VAL 66 4.912 -5.980 -14.943 400 1HG2 VAL 66 1HG2 VAL 66 2.965 -4.491 -17.100 401 2HG2 VAL 66 2HG2 VAL 66 1.577 -4.206 -16.053 402 3HG2 VAL 66 3HG2 VAL 66 2.287 -5.816 -16.155 403 H VAL 67 H VAL 67 5.268 -5.400 -12.806 404 HA VAL 67 HA VAL 67 5.022 -3.268 -10.720 405 HB VAL 67 HB VAL 67 5.868 -4.844 -9.060 406 1HG1 VAL 67 1HG1 VAL 67 3.358 -4.931 -10.170 407 2HG1 VAL 67 2HG1 VAL 67 3.841 -5.815 -8.720 408 3HG1 VAL 67 3HG1 VAL 67 3.861 -6.618 -10.291 409 1HG2 VAL 67 1HG2 VAL 67 6.418 -7.129 -9.610 410 2HG2 VAL 67 2HG2 VAL 67 7.292 -6.096 -10.742 411 3HG2 VAL 67 3HG2 VAL 67 5.827 -6.930 -11.259 412 H ARG 68 H ARG 68 7.187 -2.603 -9.888 413 HA ARG 68 HA ARG 68 9.501 -3.420 -11.589 414 1HB ARG 68 2HB ARG 68 8.276 -0.678 -11.248 415 2HB ARG 68 1HB ARG 68 9.964 -0.870 -11.723 416 1HG ARG 68 2HG ARG 68 7.975 -2.496 -13.220 417 2HG ARG 68 1HG ARG 68 7.958 -0.761 -13.522 418 1HD ARG 68 2HD ARG 68 10.692 -1.523 -13.494 419 2HD ARG 68 1HD ARG 68 9.840 -2.714 -14.496 420 HE ARG 68 HE ARG 68 9.202 0.155 -14.927 421 1HH1 ARG 68 1HH2 ARG 68 11.950 -1.037 -15.886 422 2HH1 ARG 68 2HH2 ARG 68 11.573 -1.314 -17.554 423 1HH2 ARG 68 1HH1 ARG 68 8.152 -0.954 -17.115 424 2HH2 ARG 68 2HH1 ARG 68 9.423 -1.267 -18.249 425 H LYS 69 H LYS 69 11.169 -3.881 -10.188 426 HA LYS 69 HA LYS 69 11.212 -3.610 -7.424 427 1HB LYS 69 2HB LYS 69 12.835 -4.720 -9.133 428 2HB LYS 69 1HB LYS 69 13.666 -3.165 -9.122 429 1HG LYS 69 2HG LYS 69 13.998 -3.302 -6.719 430 2HG LYS 69 1HG LYS 69 13.046 -4.785 -6.641 431 1HD LYS 69 2HD LYS 69 15.077 -5.802 -6.810 432 2HD LYS 69 1HD LYS 69 14.884 -5.467 -8.531 433 1HE LYS 69 2HE LYS 69 15.901 -3.082 -7.667 434 2HE LYS 69 1HE LYS 69 16.717 -4.221 -6.578 435 1HZ LYS 69 1HZ LYS 69 16.629 -4.297 -9.539 436 2HZ LYS 69 2HZ LYS 69 17.135 -5.619 -8.599 437 3HZ LYS 69 3HZ LYS 69 17.998 -4.157 -8.550 438 H SER 70 H SER 70 12.504 -1.296 -9.802 439 HA SER 70 HA SER 70 12.306 0.840 -7.706 440 1HB SER 70 2HB SER 70 14.362 0.645 -9.919 441 2HB SER 70 1HB SER 70 14.394 1.710 -8.519 442 HG SER 70 HG SER 70 15.679 -0.351 -8.502 443 H TYR 71 H TYR 71 10.874 2.411 -8.381 444 HA TYR 71 HA TYR 71 10.508 2.775 -11.344 445 1HB TYR 71 2HB TYR 71 8.138 3.136 -10.849 446 2HB TYR 71 1HB TYR 71 8.658 1.592 -10.172 447 HD1 TYR 71 HD1 TYR 71 8.046 5.171 -9.328 448 HD2 TYR 71 HD2 TYR 71 8.549 1.172 -7.836 449 HE1 TYR 71 HE1 TYR 71 7.350 5.925 -7.069 450 HE2 TYR 71 HE2 TYR 71 7.856 1.926 -5.576 451 HH TYR 71 HH TYR 71 6.214 4.478 -4.925 452 H THR 72 H THR 72 10.506 4.890 -12.085 453 HA THR 72 HA THR 72 11.661 6.982 -10.560 454 HB THR 72 HB THR 72 9.855 7.034 -12.995 455 HG1 THR 72 HG1 THR 72 12.669 7.205 -12.888 456 1HG2 THR 72 1HG2 THR 72 10.117 9.247 -11.838 457 2HG2 THR 72 2HG2 THR 72 10.796 9.217 -13.466 458 3HG2 THR 72 3HG2 THR 72 11.861 9.103 -12.063 459 H GLY 73 H GLY 73 10.601 7.434 -8.596 460 1HA GLY 73 2HA GLY 73 7.695 8.076 -8.720 461 2HA GLY 73 1HA GLY 73 8.599 7.746 -7.242 462 H SER 74 H SER 74 7.173 9.955 -7.039 463 HA SER 74 HA SER 74 9.195 12.099 -6.994 464 1HB SER 74 2HB SER 74 8.433 12.420 -9.211 465 2HB SER 74 1HB SER 74 6.768 12.037 -8.786 466 HG SER 74 HG SER 74 6.618 13.981 -7.720 467 H THR 75 H THR 75 8.695 13.630 -5.401 468 HA THR 75 HA THR 75 6.716 12.947 -3.417 469 HB THR 75 HB THR 75 8.091 15.594 -3.766 470 HG1 THR 75 HG1 THR 75 9.902 14.614 -2.817 471 1HG2 THR 75 1HG2 THR 75 6.674 15.528 -1.857 472 2HG2 THR 75 2HG2 THR 75 8.315 15.288 -1.256 473 3HG2 THR 75 3HG2 THR 75 7.227 13.910 -1.425 474 HA PRO 76 HA PRO 76 3.338 15.210 -5.107 475 1HB PRO 76 2HB PRO 76 1.745 15.282 -2.892 476 2HB PRO 76 1HB PRO 76 2.001 13.813 -3.852 477 1HG PRO 76 2HG PRO 76 3.088 14.540 -1.209 478 2HG PRO 76 1HG PRO 76 2.794 12.944 -1.912 479 1HD PRO 76 2HD PRO 76 5.280 14.268 -1.702 480 2HD PRO 76 1HD PRO 76 4.942 12.781 -2.609 481 H GLU 77 H GLU 77 5.636 16.604 -3.388 482 HA GLU 77 HA GLU 77 4.105 19.104 -2.824 483 1HB GLU 77 2HB GLU 77 6.296 17.612 -1.473 484 2HB GLU 77 1HB GLU 77 6.376 19.371 -1.401 485 1HG GLU 77 2HG GLU 77 3.753 18.057 -0.816 486 2HG GLU 77 1HG GLU 77 5.012 17.986 0.417 487 H GLY 78 H GLY 78 5.077 18.492 -5.461 488 1HA GLY 78 2HA GLY 78 6.351 19.471 -7.173 489 2HA GLY 78 1HA GLY 78 6.495 20.868 -6.104 490 H THR 79 H THR 79 7.619 17.785 -4.968 491 HA THR 79 HA THR 79 10.449 18.683 -5.415 492 HB THR 79 HB THR 79 9.026 17.493 -3.030 493 HG1 THR 79 HG1 THR 79 9.115 19.764 -3.264 494 1HG2 THR 79 1HG2 THR 79 11.703 16.947 -3.910 495 2HG2 THR 79 2HG2 THR 79 10.889 16.385 -2.451 496 3HG2 THR 79 3HG2 THR 79 11.766 17.914 -2.437 497 HA PRO 80 HA PRO 80 9.941 14.524 -7.279 498 1HB PRO 80 2HB PRO 80 11.688 14.978 -9.338 499 2HB PRO 80 1HB PRO 80 9.971 15.425 -9.405 500 1HG PRO 80 2HG PRO 80 12.350 17.132 -8.862 501 2HG PRO 80 1HG PRO 80 10.884 17.498 -9.784 502 1HD PRO 80 2HD PRO 80 11.314 18.372 -7.228 503 2HD PRO 80 1HD PRO 80 9.698 18.097 -7.914 504 H VAL 81 H VAL 81 11.098 13.780 -5.333 505 HA VAL 81 HA VAL 81 13.809 14.097 -4.709 506 HB VAL 81 HB VAL 81 12.202 12.962 -3.282 507 1HG1 VAL 81 1HG1 VAL 81 12.215 10.698 -5.295 508 2HG1 VAL 81 2HG1 VAL 81 10.954 11.929 -5.241 509 3HG1 VAL 81 3HG1 VAL 81 11.197 10.854 -3.865 510 1HG2 VAL 81 1HG2 VAL 81 13.855 10.600 -3.822 511 2HG2 VAL 81 2HG2 VAL 81 13.790 11.617 -2.383 512 3HG2 VAL 81 3HG2 VAL 81 14.793 12.091 -3.754 513 H GLY 82 H GLY 82 12.364 11.679 -6.888 514 1HA GLY 82 2HA GLY 82 13.992 11.487 -8.962 515 2HA GLY 82 1HA GLY 82 15.081 10.866 -7.727 516 H SER 83 H SER 83 15.178 8.759 -8.487 517 HA SER 83 HA SER 83 12.757 7.236 -9.089 518 1HB SER 83 2HB SER 83 15.628 6.367 -8.695 519 2HB SER 83 1HB SER 83 14.372 5.459 -9.529 520 HG SER 83 HG SER 83 15.905 6.842 -10.806 521 H VAL 84 H VAL 84 12.185 5.261 -7.912 522 HA VAL 84 HA VAL 84 12.919 5.321 -5.004 523 HB VAL 84 HB VAL 84 10.258 4.635 -6.304 524 1HG1 VAL 84 1HG1 VAL 84 9.413 4.755 -3.977 525 2HG1 VAL 84 2HG1 VAL 84 11.055 5.053 -3.403 526 3HG1 VAL 84 3HG1 VAL 84 10.648 3.506 -4.146 527 1HG2 VAL 84 1HG2 VAL 84 9.539 6.799 -5.911 528 2HG2 VAL 84 2HG2 VAL 84 11.242 7.119 -6.243 529 3HG2 VAL 84 3HG2 VAL 84 10.667 7.043 -4.577 530 H ASP 85 H ASP 85 13.151 3.223 -4.049 531 HA ASP 85 HA ASP 85 13.062 0.939 -5.990 532 1HB ASP 85 2HB ASP 85 15.136 0.160 -4.910 533 2HB ASP 85 1HB ASP 85 15.342 1.799 -5.533 534 H CYS 86 H CYS 86 12.935 -1.200 -4.851 535 HA CYS 86 HA CYS 86 11.250 -0.983 -2.380 536 1HB CYS 86 2HB CYS 86 10.608 -1.969 -4.804 537 2HB CYS 86 1HB CYS 86 11.307 -3.422 -4.088 538 H ALA 87 H ALA 87 14.349 -1.736 -3.283 539 HA ALA 87 HA ALA 87 14.817 -4.253 -1.961 540 1HB ALA 87 1HB ALA 87 16.671 -3.827 -3.178 541 2HB ALA 87 2HB ALA 87 17.163 -2.718 -1.898 542 3HB ALA 87 3HB ALA 87 16.266 -2.115 -3.292 543 H THR 88 H THR 88 15.669 -0.927 -0.878 544 HA THR 88 HA THR 88 16.114 -1.868 1.865 545 HB THR 88 HB THR 88 17.397 -0.058 0.666 546 HG1 THR 88 HG1 THR 88 17.789 0.440 2.650 547 1HG2 THR 88 1HG2 THR 88 16.331 2.174 0.545 548 2HG2 THR 88 2HG2 THR 88 14.808 1.461 1.080 549 3HG2 THR 88 3HG2 THR 88 15.501 0.997 -0.474 550 H ALA 89 H ALA 89 13.513 -0.328 0.074 551 HA ALA 89 HA ALA 89 11.956 -0.049 2.607 552 1HB ALA 89 1HB ALA 89 11.081 1.875 1.704 553 2HB ALA 89 2HB ALA 89 11.076 1.217 0.068 554 3HB ALA 89 3HB ALA 89 12.574 1.830 0.766 555 H ALA 90 H ALA 90 9.461 -0.257 2.044 556 HA ALA 90 HA ALA 90 9.130 -2.779 0.457 557 1HB ALA 90 1HB ALA 90 7.230 -3.169 1.974 558 2HB ALA 90 2HB ALA 90 7.488 -1.588 2.712 559 3HB ALA 90 3HB ALA 90 8.698 -2.856 2.901 560 H CYS 91 H CYS 91 7.176 -2.947 -0.852 561 HA CYS 91 HA CYS 91 6.056 -0.277 -1.631 562 1HB CYS 91 2HB CYS 91 6.461 -2.814 -3.242 563 2HB CYS 91 1HB CYS 91 5.830 -1.292 -3.871 564 H ASN 92 H ASN 92 3.828 -0.089 -1.676 565 HA ASN 92 HA ASN 92 2.255 -2.564 -1.050 566 1HB ASN 92 2HB ASN 92 1.663 0.285 -0.202 567 2HB ASN 92 1HB ASN 92 0.924 -1.193 0.416 568 1HD2 ASN 92 1HD2 ASN 92 4.063 0.548 0.283 569 2HD2 ASN 92 2HD2 ASN 92 4.685 -0.153 1.698 570 H LEU 93 H LEU 93 0.755 -3.019 -2.604 571 HA LEU 93 HA LEU 93 0.034 -0.889 -4.568 572 1HB LEU 93 2HB LEU 93 0.920 -2.867 -5.571 573 2HB LEU 93 1HB LEU 93 -0.018 -3.916 -4.509 574 HG LEU 93 HG LEU 93 -2.104 -2.873 -5.593 575 1HD1 LEU 93 1HD1 LEU 93 -1.645 -2.033 -7.932 576 2HD1 LEU 93 2HD1 LEU 93 0.065 -1.968 -7.505 577 3HD1 LEU 93 3HD1 LEU 93 -1.097 -0.952 -6.651 578 1HD2 LEU 93 1HD2 LEU 93 -0.369 -4.406 -7.532 579 2HD2 LEU 93 2HD2 LEU 93 -2.111 -4.532 -7.286 580 3HD2 LEU 93 3HD2 LEU 93 -1.001 -5.164 -6.070 581 H GLY 94 H GLY 94 -1.795 0.192 -3.837 582 1HA GLY 94 2HA GLY 94 -3.991 -1.519 -2.726 583 2HA GLY 94 1HA GLY 94 -3.720 0.151 -2.225 584 H ALA 95 H ALA 95 -6.199 -0.676 -3.199 585 HA ALA 95 HA ALA 95 -6.461 1.106 -5.546 586 1HB ALA 95 1HB ALA 95 -7.814 -0.879 -6.618 587 2HB ALA 95 2HB ALA 95 -6.845 -1.878 -5.534 588 3HB ALA 95 3HB ALA 95 -6.055 -0.868 -6.745 589 H GLY 96 H GLY 96 -8.165 2.386 -4.939 590 1HA GLY 96 2HA GLY 96 -10.779 1.453 -4.462 591 2HA GLY 96 1HA GLY 96 -10.029 1.658 -2.878 592 H ASN 97 H ASN 97 -12.003 3.301 -3.026 593 HA ASN 97 HA ASN 97 -10.954 5.913 -4.026 594 1HB ASN 97 2HB ASN 97 -12.992 4.977 -5.133 595 2HB ASN 97 1HB ASN 97 -13.807 4.994 -3.569 596 1HD2 ASN 97 1HD2 ASN 97 -15.186 6.764 -3.486 597 2HD2 ASN 97 2HD2 ASN 97 -14.819 8.317 -4.066 598 H SER 98 H SER 98 -12.110 7.783 -2.680 599 HA SER 98 HA SER 98 -11.279 7.526 0.069 600 1HB SER 98 2HB SER 98 -11.138 9.676 -0.814 601 2HB SER 98 1HB SER 98 -12.659 9.528 -1.688 602 HG SER 98 HG SER 98 -12.176 10.084 1.028 603 H GLY 99 H GLY 99 -14.260 6.875 -1.604 604 1HA GLY 99 2HA GLY 99 -15.878 7.012 0.864 605 2HA GLY 99 1HA GLY 99 -16.478 6.606 -0.745 606 H LEU 100 H LEU 100 -14.711 4.552 -1.437 607 HA LEU 100 HA LEU 100 -15.380 2.465 0.614 608 1HB LEU 100 2HB LEU 100 -16.683 2.418 -1.517 609 2HB LEU 100 1HB LEU 100 -15.170 2.255 -2.408 610 HG LEU 100 HG LEU 100 -16.434 0.080 -1.917 611 1HD1 LEU 100 1HD1 LEU 100 -13.762 -0.161 -0.644 612 2HD1 LEU 100 2HD1 LEU 100 -13.795 0.590 -2.239 613 3HD1 LEU 100 3HD1 LEU 100 -14.439 -1.037 -2.016 614 1HD2 LEU 100 1HD2 LEU 100 -16.575 -0.735 0.252 615 2HD2 LEU 100 2HD2 LEU 100 -16.731 0.994 0.571 616 3HD2 LEU 100 3HD2 LEU 100 -15.178 0.193 0.802 617 H ASP 101 H ASP 101 -13.663 1.199 1.294 618 HA ASP 101 HA ASP 101 -11.033 1.601 -0.085 619 1HB ASP 101 2HB ASP 101 -11.867 1.184 2.786 620 2HB ASP 101 1HB ASP 101 -10.196 0.960 2.269 621 H LEU 102 H LEU 102 -10.957 -0.222 -1.435 622 HA LEU 102 HA LEU 102 -11.952 -2.821 -0.737 623 1HB LEU 102 2HB LEU 102 -9.823 -1.909 -2.695 624 2HB LEU 102 1HB LEU 102 -10.610 -3.487 -2.723 625 HG LEU 102 HG LEU 102 -12.265 -0.975 -2.761 626 1HD1 LEU 102 1HD1 LEU 102 -10.976 -0.493 -4.642 627 2HD1 LEU 102 2HD1 LEU 102 -12.249 -1.488 -5.347 628 3HD1 LEU 102 3HD1 LEU 102 -10.673 -2.194 -4.995 629 1HD2 LEU 102 1HD2 LEU 102 -12.595 -3.887 -3.304 630 2HD2 LEU 102 2HD2 LEU 102 -13.519 -2.780 -4.321 631 3HD2 LEU 102 3HD2 LEU 102 -13.721 -2.746 -2.568 632 H GLY 103 H GLY 103 -8.548 -1.764 -1.042 633 1HA GLY 103 2HA GLY 103 -7.414 -2.395 1.318 634 2HA GLY 103 1HA GLY 103 -7.713 -4.007 0.668 635 H HIS 104 H HIS 104 -5.207 -3.856 0.953 636 HA HIS 104 HA HIS 104 -4.082 -3.287 -1.736 637 1HB HIS 104 2HB HIS 104 -2.200 -2.050 -0.617 638 2HB HIS 104 1HB HIS 104 -3.757 -1.236 -0.465 639 HD1 HIS 104 HD1 HIS 104 -1.056 -2.790 1.520 640 HD2 HIS 104 HD2 HIS 104 -4.990 -1.571 2.161 641 HE1 HIS 104 HE1 HIS 104 -1.383 -2.712 4.033 642 H VAL 105 H VAL 105 -2.206 -4.560 -2.169 643 HA VAL 105 HA VAL 105 -1.748 -6.791 -0.228 644 HB VAL 105 HB VAL 105 -1.063 -6.607 -3.175 645 1HG1 VAL 105 1HG1 VAL 105 -1.080 -8.747 -1.087 646 2HG1 VAL 105 2HG1 VAL 105 0.051 -8.483 -2.414 647 3HG1 VAL 105 3HG1 VAL 105 -1.530 -9.197 -2.732 648 1HG2 VAL 105 1HG2 VAL 105 -3.406 -6.292 -3.144 649 2HG2 VAL 105 2HG2 VAL 105 -3.621 -7.369 -1.765 650 3HG2 VAL 105 3HG2 VAL 105 -3.223 -8.033 -3.350 651 H ALA 106 H ALA 106 0.208 -6.800 0.819 652 HA ALA 106 HA ALA 106 2.261 -4.831 0.240 653 1HB ALA 106 1HB ALA 106 1.566 -6.824 2.235 654 2HB ALA 106 2HB ALA 106 2.547 -5.369 2.418 655 3HB ALA 106 3HB ALA 106 3.293 -6.873 1.880 656 H LEU 107 H LEU 107 3.562 -5.054 -1.545 657 HA LEU 107 HA LEU 107 4.073 -7.670 -2.762 658 1HB LEU 107 2HB LEU 107 5.243 -4.931 -3.309 659 2HB LEU 107 1HB LEU 107 5.232 -6.308 -4.414 660 HG LEU 107 HG LEU 107 2.789 -4.879 -3.331 661 1HD1 LEU 107 1HD1 LEU 107 2.490 -4.263 -5.726 662 2HD1 LEU 107 2HD1 LEU 107 4.060 -4.988 -6.078 663 3HD1 LEU 107 3HD1 LEU 107 3.952 -3.581 -5.020 664 1HD2 LEU 107 1HD2 LEU 107 1.877 -6.946 -3.700 665 2HD2 LEU 107 2HD2 LEU 107 3.213 -7.460 -4.732 666 3HD2 LEU 107 3HD2 LEU 107 1.931 -6.443 -5.389 667 H THR 108 H THR 108 6.085 -8.745 -2.807 668 HA THR 108 HA THR 108 8.186 -7.677 -0.951 669 HB THR 108 HB THR 108 7.647 -10.608 -1.326 670 HG1 THR 108 HG1 THR 108 5.652 -10.023 -0.766 671 1HG2 THR 108 1HG2 THR 108 9.493 -10.327 0.042 672 2HG2 THR 108 2HG2 THR 108 8.207 -10.328 1.250 673 3HG2 THR 108 3HG2 THR 108 8.901 -8.802 0.701 674 H PHE 109 H PHE 109 10.381 -8.409 -1.501 675 HA PHE 109 HA PHE 109 10.659 -9.358 -4.335 676 1HB PHE 109 2HB PHE 109 11.746 -6.999 -2.860 677 2HB PHE 109 1HB PHE 109 12.799 -7.768 -4.048 678 HD1 PHE 109 HD1 PHE 109 9.576 -6.023 -3.544 679 HD2 PHE 109 HD2 PHE 109 12.294 -7.707 -6.414 680 HE1 PHE 109 HE1 PHE 109 8.329 -4.910 -5.379 681 HE2 PHE 109 HE2 PHE 109 11.049 -6.593 -8.248 682 HZ PHE 109 HZ PHE 109 9.067 -5.195 -7.730 683 H GLY 110 H GLY 110 11.157 -11.517 -3.611 684 1HA GLY 110 2HA GLY 110 13.496 -11.820 -1.805 685 2HA GLY 110 1HA GLY 110 12.404 -13.117 -2.296 Start of MODEL 2 1 1H ALA 1 1H ALA 1 -19.179 -5.286 2.793 2 2H ALA 1 2H ALA 1 -19.130 -6.403 1.514 3 3H ALA 1 3H ALA 1 -19.187 -4.737 1.186 4 HA ALA 1 HA ALA 1 -16.989 -4.425 2.118 5 1HB ALA 1 1HB ALA 1 -17.201 -6.060 3.886 6 2HB ALA 1 2HB ALA 1 -15.833 -6.546 2.883 7 3HB ALA 1 3HB ALA 1 -17.384 -7.368 2.718 8 HA PRO 2 HA PRO 2 -16.056 -5.493 -2.099 9 1HB PRO 2 2HB PRO 2 -13.700 -4.120 -2.263 10 2HB PRO 2 1HB PRO 2 -15.289 -3.329 -2.341 11 1HG PRO 2 2HG PRO 2 -13.387 -3.535 -0.057 12 2HG PRO 2 1HG PRO 2 -14.426 -2.187 -0.544 13 1HD PRO 2 2HD PRO 2 -15.014 -3.893 1.517 14 2HD PRO 2 1HD PRO 2 -16.241 -3.008 0.583 15 H ALA 3 H ALA 3 -13.435 -5.892 -3.002 16 HA ALA 3 HA ALA 3 -12.000 -7.698 -1.185 17 1HB ALA 3 1HB ALA 3 -14.097 -8.864 -2.157 18 2HB ALA 3 2HB ALA 3 -12.561 -9.719 -2.286 19 3HB ALA 3 3HB ALA 3 -13.217 -8.868 -3.685 20 H PHE 4 H PHE 4 -9.920 -7.100 -1.684 21 HA PHE 4 HA PHE 4 -9.185 -6.846 -4.585 22 1HB PHE 4 2HB PHE 4 -9.302 -4.663 -3.503 23 2HB PHE 4 1HB PHE 4 -8.313 -5.240 -2.162 24 HD1 PHE 4 HD1 PHE 4 -6.061 -4.653 -2.211 25 HD2 PHE 4 HD2 PHE 4 -8.167 -5.181 -5.917 26 HE1 PHE 4 HE1 PHE 4 -4.010 -4.042 -3.464 27 HE2 PHE 4 HE2 PHE 4 -6.117 -4.571 -7.169 28 HZ PHE 4 HZ PHE 4 -4.038 -4.001 -5.944 29 H SER 5 H SER 5 -7.846 -8.583 -5.041 30 HA SER 5 HA SER 5 -5.628 -9.154 -3.122 31 1HB SER 5 2HB SER 5 -7.868 -10.933 -3.998 32 2HB SER 5 1HB SER 5 -6.289 -11.661 -3.718 33 HG SER 5 HG SER 5 -6.359 -10.998 -1.627 34 H VAL 6 H VAL 6 -4.019 -10.726 -4.192 35 HA VAL 6 HA VAL 6 -4.001 -10.421 -7.173 36 HB VAL 6 HB VAL 6 -2.641 -8.723 -5.772 37 1HG1 VAL 6 1HG1 VAL 6 -0.705 -11.037 -5.573 38 2HG1 VAL 6 2HG1 VAL 6 -1.790 -10.610 -4.250 39 3HG1 VAL 6 3HG1 VAL 6 -0.588 -9.449 -4.814 40 1HG2 VAL 6 1HG2 VAL 6 -1.149 -8.512 -7.530 41 2HG2 VAL 6 2HG2 VAL 6 -2.325 -9.599 -8.268 42 3HG2 VAL 6 3HG2 VAL 6 -0.826 -10.245 -7.602 43 H SER 7 H SER 7 -3.291 -12.259 -8.246 44 HA SER 7 HA SER 7 -3.223 -14.799 -7.024 45 1HB SER 7 2HB SER 7 -2.777 -13.574 -9.586 46 2HB SER 7 1HB SER 7 -1.573 -14.834 -9.332 47 HG SER 7 HG SER 7 -4.226 -15.365 -8.631 48 HA PRO 8 HA PRO 8 1.566 -14.655 -7.091 49 1HB PRO 8 2HB PRO 8 2.760 -12.245 -7.606 50 2HB PRO 8 1HB PRO 8 2.360 -13.424 -8.872 51 1HG PRO 8 2HG PRO 8 0.889 -10.965 -8.048 52 2HG PRO 8 1HG PRO 8 1.179 -11.617 -9.669 53 1HD PRO 8 2HD PRO 8 -1.186 -11.910 -8.365 54 2HD PRO 8 1HD PRO 8 -0.573 -13.102 -9.532 55 H ALA 9 H ALA 9 1.635 -11.221 -6.353 56 HA ALA 9 HA ALA 9 1.643 -10.069 -4.274 57 1HB ALA 9 1HB ALA 9 0.894 -12.496 -2.743 58 2HB ALA 9 2HB ALA 9 -0.233 -12.040 -4.021 59 3HB ALA 9 3HB ALA 9 0.154 -10.895 -2.737 60 H SER 10 H SER 10 3.725 -12.224 -5.317 61 HA SER 10 HA SER 10 5.754 -11.684 -3.351 62 1HB SER 10 2HB SER 10 3.990 -13.401 -2.353 63 2HB SER 10 1HB SER 10 4.917 -14.563 -3.297 64 HG SER 10 HG SER 10 5.717 -14.266 -1.145 65 H GLY 11 H GLY 11 7.804 -12.459 -4.082 66 1HA GLY 11 2HA GLY 11 9.353 -13.371 -5.600 67 2HA GLY 11 1HA GLY 11 8.086 -14.485 -6.116 68 H LEU 12 H LEU 12 8.197 -10.921 -6.214 69 HA LEU 12 HA LEU 12 7.415 -11.049 -9.085 70 1HB LEU 12 2HB LEU 12 7.592 -8.659 -7.235 71 2HB LEU 12 1HB LEU 12 6.638 -8.809 -8.711 72 HG LEU 12 HG LEU 12 6.206 -10.570 -6.286 73 1HD1 LEU 12 1HD1 LEU 12 5.024 -8.929 -5.298 74 2HD1 LEU 12 2HD1 LEU 12 4.125 -8.619 -6.783 75 3HD1 LEU 12 3HD1 LEU 12 5.669 -7.814 -6.501 76 1HD2 LEU 12 1HD2 LEU 12 5.279 -11.580 -8.228 77 2HD2 LEU 12 2HD2 LEU 12 4.729 -10.033 -8.868 78 3HD2 LEU 12 3HD2 LEU 12 3.922 -10.746 -7.472 79 H SER 13 H SER 13 8.431 -9.154 -10.408 80 HA SER 13 HA SER 13 11.231 -8.556 -9.653 81 1HB SER 13 2HB SER 13 11.856 -10.397 -10.845 82 2HB SER 13 1HB SER 13 10.289 -10.520 -11.640 83 HG SER 13 HG SER 13 12.473 -8.823 -12.279 84 H ASP 14 H ASP 14 12.163 -6.875 -11.080 85 HA ASP 14 HA ASP 14 10.378 -4.753 -11.716 86 1HB ASP 14 2HB ASP 14 12.445 -3.923 -12.974 87 2HB ASP 14 1HB ASP 14 12.701 -4.349 -11.282 88 H GLY 15 H GLY 15 8.867 -4.798 -13.341 89 1HA GLY 15 2HA GLY 15 8.352 -4.708 -15.707 90 2HA GLY 15 1HA GLY 15 9.706 -5.796 -16.002 91 H GLN 16 H GLN 16 8.999 -7.638 -13.852 92 HA GLN 16 HA GLN 16 7.515 -9.586 -15.153 93 1HB GLN 16 2HB GLN 16 8.789 -9.665 -12.955 94 2HB GLN 16 1HB GLN 16 7.356 -8.976 -12.191 95 1HG GLN 16 2HG GLN 16 6.555 -11.174 -13.858 96 2HG GLN 16 1HG GLN 16 7.855 -11.707 -12.789 97 1HE2 GLN 16 1HE2 GLN 16 5.504 -9.138 -12.009 98 2HE2 GLN 16 2HE2 GLN 16 4.769 -9.974 -10.731 99 H SER 17 H SER 17 5.257 -10.230 -15.044 100 HA SER 17 HA SER 17 3.402 -7.915 -14.795 101 1HB SER 17 2HB SER 17 3.660 -9.497 -16.821 102 2HB SER 17 1HB SER 17 2.806 -10.685 -15.840 103 HG SER 17 HG SER 17 1.018 -9.593 -16.104 104 H VAL 18 H VAL 18 1.153 -8.573 -13.935 105 HA VAL 18 HA VAL 18 1.225 -10.639 -11.811 106 HB VAL 18 HB VAL 18 0.392 -8.813 -10.210 107 1HG1 VAL 18 1HG1 VAL 18 2.610 -8.230 -9.577 108 2HG1 VAL 18 2HG1 VAL 18 3.195 -8.333 -11.238 109 3HG1 VAL 18 3HG1 VAL 18 2.760 -9.802 -10.364 110 1HG2 VAL 18 1HG2 VAL 18 0.135 -7.277 -12.396 111 2HG2 VAL 18 2HG2 VAL 18 1.793 -6.846 -11.978 112 3HG2 VAL 18 3HG2 VAL 18 0.493 -6.581 -10.815 113 H SER 19 H SER 19 -0.942 -11.187 -11.077 114 HA SER 19 HA SER 19 -3.079 -10.244 -12.953 115 1HB SER 19 2HB SER 19 -4.036 -12.531 -11.914 116 2HB SER 19 1HB SER 19 -2.951 -12.516 -13.301 117 HG SER 19 HG SER 19 -1.563 -13.520 -12.097 118 H VAL 20 H VAL 20 -4.389 -8.779 -11.964 119 HA VAL 20 HA VAL 20 -4.841 -9.002 -9.024 120 HB VAL 20 HB VAL 20 -5.070 -6.830 -11.106 121 1HG1 VAL 20 1HG1 VAL 20 -6.184 -6.879 -8.288 122 2HG1 VAL 20 2HG1 VAL 20 -7.054 -6.533 -9.783 123 3HG1 VAL 20 3HG1 VAL 20 -5.865 -5.384 -9.168 124 1HG2 VAL 20 1HG2 VAL 20 -2.875 -7.202 -10.114 125 2HG2 VAL 20 2HG2 VAL 20 -3.567 -7.147 -8.493 126 3HG2 VAL 20 3HG2 VAL 20 -3.543 -5.694 -9.492 127 H SER 21 H SER 21 -6.996 -8.957 -8.219 128 HA SER 21 HA SER 21 -9.219 -9.177 -10.174 129 1HB SER 21 2HB SER 21 -8.167 -11.437 -9.793 130 2HB SER 21 1HB SER 21 -8.595 -11.296 -8.090 131 HG SER 21 HG SER 21 -10.130 -12.419 -9.542 132 H VAL 22 H VAL 22 -11.022 -8.183 -9.328 133 HA VAL 22 HA VAL 22 -11.100 -7.738 -6.364 134 HB VAL 22 HB VAL 22 -12.174 -5.904 -8.515 135 1HG1 VAL 22 1HG1 VAL 22 -12.478 -4.361 -6.801 136 2HG1 VAL 22 2HG1 VAL 22 -11.233 -5.088 -5.785 137 3HG1 VAL 22 3HG1 VAL 22 -12.807 -5.868 -5.946 138 1HG2 VAL 22 1HG2 VAL 22 -9.481 -5.783 -7.118 139 2HG2 VAL 22 2HG2 VAL 22 -10.108 -4.603 -8.269 140 3HG2 VAL 22 3HG2 VAL 22 -9.724 -6.238 -8.803 141 H SER 23 H SER 23 -13.231 -7.734 -5.421 142 HA SER 23 HA SER 23 -15.580 -8.325 -7.085 143 1HB SER 23 2HB SER 23 -14.799 -10.421 -5.085 144 2HB SER 23 1HB SER 23 -15.797 -10.585 -6.526 145 HG SER 23 HG SER 23 -13.497 -11.393 -6.528 146 H GLY 24 H GLY 24 -17.159 -7.161 -6.043 147 1HA GLY 24 2HA GLY 24 -18.517 -7.305 -3.851 148 2HA GLY 24 1HA GLY 24 -16.987 -6.903 -3.071 149 H ALA 25 H ALA 25 -17.108 -5.306 -6.019 150 HA ALA 25 HA ALA 25 -17.918 -2.782 -4.661 151 1HB ALA 25 1HB ALA 25 -16.027 -3.612 -6.795 152 2HB ALA 25 2HB ALA 25 -15.830 -2.394 -5.536 153 3HB ALA 25 3HB ALA 25 -16.765 -2.022 -6.984 154 H ALA 26 H ALA 26 -18.660 -4.858 -7.403 155 HA ALA 26 HA ALA 26 -20.470 -4.841 -8.920 156 1HB ALA 26 1HB ALA 26 -21.509 -3.169 -6.625 157 2HB ALA 26 2HB ALA 26 -21.786 -4.887 -6.909 158 3HB ALA 26 3HB ALA 26 -22.521 -3.688 -7.971 159 H ALA 27 H ALA 27 -20.790 -3.788 -10.757 160 HA ALA 27 HA ALA 27 -19.514 -1.562 -11.679 161 1HB ALA 27 1HB ALA 27 -20.708 -2.656 -13.309 162 2HB ALA 27 2HB ALA 27 -21.849 -1.346 -13.011 163 3HB ALA 27 3HB ALA 27 -22.096 -2.919 -12.256 164 H GLY 28 H GLY 28 -19.770 0.625 -11.563 165 1HA GLY 28 2HA GLY 28 -21.341 2.546 -11.218 166 2HA GLY 28 1HA GLY 28 -21.964 1.647 -9.837 167 H GLU 29 H GLU 29 -18.892 0.841 -9.628 168 HA GLU 29 HA GLU 29 -18.104 3.309 -8.125 169 1HB GLU 29 2HB GLU 29 -17.882 0.361 -7.456 170 2HB GLU 29 1HB GLU 29 -17.020 1.614 -6.563 171 1HG GLU 29 2HG GLU 29 -19.959 1.966 -6.983 172 2HG GLU 29 1HG GLU 29 -19.426 0.790 -5.781 173 H THR 30 H THR 30 -16.237 4.145 -8.936 174 HA THR 30 HA THR 30 -14.503 2.438 -10.651 175 HB THR 30 HB THR 30 -14.540 5.427 -10.088 176 HG1 THR 30 HG1 THR 30 -15.807 5.583 -11.839 177 1HG2 THR 30 1HG2 THR 30 -12.419 4.217 -11.039 178 2HG2 THR 30 2HG2 THR 30 -12.997 5.687 -11.822 179 3HG2 THR 30 3HG2 THR 30 -13.369 4.111 -12.521 180 H TYR 31 H TYR 31 -12.138 2.540 -10.278 181 HA TYR 31 HA TYR 31 -11.265 3.429 -7.585 182 1HB TYR 31 2HB TYR 31 -11.014 0.618 -8.697 183 2HB TYR 31 1HB TYR 31 -10.328 1.171 -7.170 184 HD1 TYR 31 HD1 TYR 31 -12.995 -0.581 -8.511 185 HD2 TYR 31 HD2 TYR 31 -12.185 2.580 -5.716 186 HE1 TYR 31 HE1 TYR 31 -15.148 -1.038 -7.368 187 HE2 TYR 31 HE2 TYR 31 -14.338 2.125 -4.575 188 HH TYR 31 HH TYR 31 -16.366 1.070 -4.832 189 H TYR 32 H TYR 32 -8.961 3.691 -7.460 190 HA TYR 32 HA TYR 32 -7.578 3.659 -10.123 191 1HB TYR 32 2HB TYR 32 -7.336 5.434 -7.673 192 2HB TYR 32 1HB TYR 32 -6.241 5.526 -9.051 193 HD1 TYR 32 HD1 TYR 32 -7.214 5.990 -11.361 194 HD2 TYR 32 HD2 TYR 32 -9.460 6.488 -7.732 195 HE1 TYR 32 HE1 TYR 32 -8.840 7.427 -12.563 196 HE2 TYR 32 HE2 TYR 32 -11.085 7.925 -8.935 197 HH TYR 32 HH TYR 32 -11.633 7.998 -11.893 198 H ILE 33 H ILE 33 -6.281 1.821 -10.110 199 HA ILE 33 HA ILE 33 -4.962 1.025 -7.558 200 HB ILE 33 HB ILE 33 -6.194 -0.670 -8.792 201 1HG1 ILE 33 2HG1 ILE 33 -3.362 -1.339 -9.486 202 2HG1 ILE 33 1HG1 ILE 33 -3.752 -1.026 -7.795 203 1HG2 ILE 33 1HG2 ILE 33 -5.051 0.699 -11.047 204 2HG2 ILE 33 2HG2 ILE 33 -6.301 -0.546 -11.038 205 3HG2 ILE 33 3HG2 ILE 33 -4.599 -1.004 -11.122 206 1HD1 ILE 33 1HD1 ILE 33 -3.972 -3.468 -8.760 207 2HD1 ILE 33 2HD1 ILE 33 -5.511 -2.867 -9.378 208 3HD1 ILE 33 3HD1 ILE 33 -5.190 -2.849 -7.644 209 H ALA 34 H ALA 34 -2.837 1.478 -7.228 210 HA ALA 34 HA ALA 34 -1.002 1.721 -9.545 211 1HB ALA 34 1HB ALA 34 -2.289 3.920 -8.305 212 2HB ALA 34 2HB ALA 34 -0.981 3.979 -9.485 213 3HB ALA 34 3HB ALA 34 -0.613 3.958 -7.760 214 H GLN 35 H GLN 35 1.219 1.497 -8.909 215 HA GLN 35 HA GLN 35 1.605 0.167 -6.293 216 1HB GLN 35 2HB GLN 35 2.443 -0.728 -8.484 217 2HB GLN 35 1HB GLN 35 3.502 0.679 -8.606 218 1HG GLN 35 2HG GLN 35 3.675 -0.735 -6.027 219 2HG GLN 35 1HG GLN 35 4.203 -1.691 -7.412 220 1HE2 GLN 35 1HE2 GLN 35 6.157 -1.068 -8.480 221 2HE2 GLN 35 2HE2 GLN 35 7.141 0.202 -7.933 222 H CYS 36 H CYS 36 2.689 1.147 -4.588 223 HA CYS 36 HA CYS 36 4.310 3.587 -5.120 224 1HB CYS 36 2HB CYS 36 1.985 3.426 -3.185 225 2HB CYS 36 1HB CYS 36 3.024 4.829 -3.432 226 H ALA 37 H ALA 37 5.656 4.167 -3.268 227 HA ALA 37 HA ALA 37 5.819 2.229 -1.027 228 1HB ALA 37 1HB ALA 37 8.113 2.769 -2.938 229 2HB ALA 37 2HB ALA 37 7.106 1.322 -2.988 230 3HB ALA 37 3HB ALA 37 8.121 1.643 -1.583 231 HA PRO 38 HA PRO 38 7.133 5.876 1.037 232 1HB PRO 38 2HB PRO 38 8.685 4.842 3.034 233 2HB PRO 38 1HB PRO 38 6.917 4.733 3.023 234 1HG PRO 38 2HG PRO 38 8.940 2.674 2.303 235 2HG PRO 38 1HG PRO 38 7.391 2.490 3.142 236 1HD PRO 38 2HD PRO 38 7.770 1.875 0.499 237 2HD PRO 38 1HD PRO 38 6.202 2.349 1.190 238 H VAL 39 H VAL 39 9.107 7.145 1.576 239 HA VAL 39 HA VAL 39 11.567 6.184 0.178 240 HB VAL 39 HB VAL 39 11.754 8.402 -0.850 241 1HG1 VAL 39 1HG1 VAL 39 9.923 6.475 -1.541 242 2HG1 VAL 39 2HG1 VAL 39 10.288 7.898 -2.517 243 3HG1 VAL 39 3HG1 VAL 39 8.901 7.908 -1.426 244 1HG2 VAL 39 1HG2 VAL 39 10.116 9.176 1.286 245 2HG2 VAL 39 2HG2 VAL 39 9.098 9.370 -0.142 246 3HG2 VAL 39 3HG2 VAL 39 10.651 10.202 -0.047 247 H GLY 40 H GLY 40 11.439 5.894 2.823 248 1HA GLY 40 2HA GLY 40 12.395 6.513 4.873 249 2HA GLY 40 1HA GLY 40 13.608 7.320 3.882 250 H GLY 41 H GLY 41 10.122 8.016 4.349 251 1HA GLY 41 2HA GLY 41 10.212 10.147 6.093 252 2HA GLY 41 1HA GLY 41 10.713 10.865 4.568 253 H GLN 42 H GLN 42 9.190 10.232 2.674 254 HA GLN 42 HA GLN 42 6.360 10.464 3.647 255 1HB GLN 42 2HB GLN 42 7.893 11.629 1.317 256 2HB GLN 42 1HB GLN 42 6.130 11.628 1.351 257 1HG GLN 42 2HG GLN 42 6.114 13.403 2.733 258 2HG GLN 42 1HG GLN 42 7.138 12.550 3.888 259 1HE2 GLN 42 1HE2 GLN 42 9.074 13.622 4.264 260 2HE2 GLN 42 2HE2 GLN 42 9.901 14.578 3.131 261 H ASP 43 H ASP 43 5.136 10.065 1.150 262 HA ASP 43 HA ASP 43 5.940 7.262 0.440 263 1HB ASP 43 2HB ASP 43 3.955 7.440 1.949 264 2HB ASP 43 1HB ASP 43 3.155 8.434 0.731 265 H ALA 44 H ALA 44 6.498 7.207 -1.705 266 HA ALA 44 HA ALA 44 5.384 9.278 -3.538 267 1HB ALA 44 1HB ALA 44 7.623 7.285 -3.965 268 2HB ALA 44 2HB ALA 44 7.865 8.866 -3.223 269 3HB ALA 44 3HB ALA 44 7.312 8.750 -4.894 270 H CYS 45 H CYS 45 4.624 8.575 -5.677 271 HA CYS 45 HA CYS 45 3.660 5.732 -5.729 272 1HB CYS 45 2HB CYS 45 2.295 8.350 -5.941 273 2HB CYS 45 1HB CYS 45 1.800 7.160 -7.147 274 H ASN 46 H ASN 46 3.102 5.052 -8.038 275 HA ASN 46 HA ASN 46 5.158 6.146 -9.911 276 1HB ASN 46 2HB ASN 46 4.614 3.610 -9.048 277 2HB ASN 46 1HB ASN 46 3.672 3.666 -10.539 278 1HD2 ASN 46 1HD2 ASN 46 5.389 5.445 -12.037 279 2HD2 ASN 46 2HD2 ASN 46 6.841 4.623 -12.351 280 HA PRO 47 HA PRO 47 1.412 7.827 -11.808 281 1HB PRO 47 2HB PRO 47 2.716 9.765 -13.225 282 2HB PRO 47 1HB PRO 47 2.275 9.948 -11.516 283 1HG PRO 47 2HG PRO 47 4.908 9.287 -12.727 284 2HG PRO 47 1HG PRO 47 4.534 10.270 -11.303 285 1HD PRO 47 2HD PRO 47 5.447 7.676 -11.196 286 2HD PRO 47 1HD PRO 47 4.504 8.461 -9.909 287 H ALA 48 H ALA 48 4.457 6.851 -13.280 288 HA ALA 48 HA ALA 48 3.624 6.836 -16.021 289 1HB ALA 48 1HB ALA 48 5.730 5.978 -16.317 290 2HB ALA 48 2HB ALA 48 5.528 4.783 -15.036 291 3HB ALA 48 3HB ALA 48 5.921 6.453 -14.629 292 H THR 49 H THR 49 3.110 4.584 -13.373 293 HA THR 49 HA THR 49 1.840 2.653 -15.280 294 HB THR 49 HB THR 49 2.186 1.066 -13.349 295 HG1 THR 49 HG1 THR 49 3.515 1.822 -11.674 296 1HG2 THR 49 1HG2 THR 49 3.831 1.189 -15.156 297 2HG2 THR 49 2HG2 THR 49 4.653 0.960 -13.612 298 3HG2 THR 49 3HG2 THR 49 4.621 2.554 -14.367 299 H ALA 50 H ALA 50 0.577 5.140 -14.153 300 HA ALA 50 HA ALA 50 -1.305 4.286 -12.095 301 1HB ALA 50 1HB ALA 50 -0.851 6.573 -12.078 302 2HB ALA 50 2HB ALA 50 -2.357 6.548 -12.997 303 3HB ALA 50 3HB ALA 50 -0.812 6.677 -13.839 304 H THR 51 H THR 51 -3.204 3.197 -12.466 305 HA THR 51 HA THR 51 -4.445 3.373 -15.169 306 HB THR 51 HB THR 51 -3.017 1.354 -14.989 307 HG1 THR 51 HG1 THR 51 -4.500 0.252 -15.989 308 1HG2 THR 51 1HG2 THR 51 -3.024 -0.010 -13.177 309 2HG2 THR 51 2HG2 THR 51 -4.780 0.046 -13.030 310 3HG2 THR 51 3HG2 THR 51 -3.797 1.348 -12.359 311 H SER 52 H SER 52 -6.631 3.702 -15.032 312 HA SER 52 HA SER 52 -7.943 3.302 -12.367 313 1HB SER 52 2HB SER 52 -7.862 5.607 -13.094 314 2HB SER 52 1HB SER 52 -8.445 5.177 -14.698 315 HG SER 52 HG SER 52 -10.129 5.978 -13.389 316 H PHE 53 H PHE 53 -9.858 2.095 -12.300 317 HA PHE 53 HA PHE 53 -11.025 1.142 -14.870 318 1HB PHE 53 2HB PHE 53 -10.848 -1.175 -14.103 319 2HB PHE 53 1HB PHE 53 -9.249 -0.431 -14.098 320 HD1 PHE 53 HD1 PHE 53 -8.064 -0.004 -12.038 321 HD2 PHE 53 HD2 PHE 53 -12.084 -1.514 -11.982 322 HE1 PHE 53 HE1 PHE 53 -7.846 -0.506 -9.621 323 HE2 PHE 53 HE2 PHE 53 -11.864 -2.014 -9.566 324 HZ PHE 53 HZ PHE 53 -9.743 -1.510 -8.384 325 H THR 54 H THR 54 -12.964 -0.483 -14.051 326 HA THR 54 HA THR 54 -14.326 0.620 -11.669 327 HB THR 54 HB THR 54 -15.526 0.691 -14.455 328 HG1 THR 54 HG1 THR 54 -14.345 2.409 -14.626 329 1HG2 THR 54 1HG2 THR 54 -17.016 0.500 -12.363 330 2HG2 THR 54 2HG2 THR 54 -17.356 1.828 -13.472 331 3HG2 THR 54 3HG2 THR 54 -16.469 2.131 -11.978 332 H THR 55 H THR 55 -16.027 -0.803 -10.910 333 HA THR 55 HA THR 55 -15.664 -3.590 -11.346 334 HB THR 55 HB THR 55 -18.204 -3.466 -10.458 335 HG1 THR 55 HG1 THR 55 -18.124 -1.410 -9.198 336 1HG2 THR 55 1HG2 THR 55 -16.040 -2.440 -8.653 337 2HG2 THR 55 2HG2 THR 55 -15.935 -4.071 -9.317 338 3HG2 THR 55 3HG2 THR 55 -17.309 -3.616 -8.312 339 H ASP 56 H ASP 56 -18.264 -4.635 -11.871 340 HA ASP 56 HA ASP 56 -19.053 -3.632 -14.558 341 1HB ASP 56 2HB ASP 56 -17.451 -6.083 -13.962 342 2HB ASP 56 1HB ASP 56 -18.658 -6.193 -15.240 343 H ALA 57 H ALA 57 -20.470 -6.008 -15.308 344 HA ALA 57 HA ALA 57 -22.897 -5.729 -13.876 345 1HB ALA 57 1HB ALA 57 -23.616 -7.145 -15.513 346 2HB ALA 57 2HB ALA 57 -22.384 -8.344 -15.119 347 3HB ALA 57 3HB ALA 57 -21.982 -6.974 -16.153 348 H SER 58 H SER 58 -20.455 -8.309 -13.680 349 HA SER 58 HA SER 58 -21.757 -9.480 -11.320 350 1HB SER 58 2HB SER 58 -19.228 -10.016 -12.894 351 2HB SER 58 1HB SER 58 -19.705 -10.983 -11.503 352 HG SER 58 HG SER 58 -21.309 -10.510 -13.805 353 H GLY 59 H GLY 59 -20.166 -6.700 -11.617 354 1HA GLY 59 2HA GLY 59 -18.799 -5.386 -10.226 355 2HA GLY 59 1HA GLY 59 -19.469 -6.345 -8.914 356 H ALA 60 H ALA 60 -17.248 -7.059 -11.613 357 HA ALA 60 HA ALA 60 -15.290 -8.043 -9.578 358 1HB ALA 60 1HB ALA 60 -16.091 -9.318 -12.206 359 2HB ALA 60 2HB ALA 60 -16.545 -9.898 -10.605 360 3HB ALA 60 3HB ALA 60 -14.855 -9.935 -11.112 361 H ALA 61 H ALA 61 -13.567 -6.696 -9.780 362 HA ALA 61 HA ALA 61 -12.871 -5.602 -12.466 363 1HB ALA 61 1HB ALA 61 -11.255 -4.549 -10.379 364 2HB ALA 61 2HB ALA 61 -12.892 -4.676 -9.737 365 3HB ALA 61 3HB ALA 61 -12.590 -3.747 -11.207 366 H SER 62 H SER 62 -11.950 -7.746 -13.108 367 HA SER 62 HA SER 62 -9.309 -8.301 -11.806 368 1HB SER 62 2HB SER 62 -9.685 -10.593 -12.746 369 2HB SER 62 1HB SER 62 -10.944 -10.104 -11.618 370 HG SER 62 HG SER 62 -12.138 -10.697 -13.285 371 H PHE 63 H PHE 63 -7.549 -7.825 -13.053 372 HA PHE 63 HA PHE 63 -7.670 -8.168 -15.994 373 1HB PHE 63 2HB PHE 63 -6.837 -5.752 -16.222 374 2HB PHE 63 1HB PHE 63 -8.536 -5.952 -15.797 375 HD1 PHE 63 HD1 PHE 63 -9.165 -5.898 -13.305 376 HD2 PHE 63 HD2 PHE 63 -5.384 -4.535 -14.819 377 HE1 PHE 63 HE1 PHE 63 -8.805 -4.595 -11.229 378 HE2 PHE 63 HE2 PHE 63 -5.022 -3.231 -12.739 379 HZ PHE 63 HZ PHE 63 -6.734 -3.262 -10.944 380 H SER 64 H SER 64 -5.422 -7.444 -16.920 381 HA SER 64 HA SER 64 -3.337 -8.627 -15.157 382 1HB SER 64 2HB SER 64 -2.135 -8.858 -17.298 383 2HB SER 64 1HB SER 64 -3.762 -9.518 -17.430 384 HG SER 64 HG SER 64 -2.704 -7.733 -18.970 385 H PHE 65 H PHE 65 -2.059 -7.209 -14.042 386 HA PHE 65 HA PHE 65 -1.545 -4.495 -15.226 387 1HB PHE 65 2HB PHE 65 -2.854 -4.494 -13.151 388 2HB PHE 65 1HB PHE 65 -1.639 -5.495 -12.360 389 HD1 PHE 65 HD1 PHE 65 -0.179 -4.379 -10.946 390 HD2 PHE 65 HD2 PHE 65 -1.723 -2.329 -14.391 391 HE1 PHE 65 HE1 PHE 65 1.081 -2.347 -10.301 392 HE2 PHE 65 HE2 PHE 65 -0.462 -0.295 -13.742 393 HZ PHE 65 HZ PHE 65 0.939 -0.309 -11.696 394 H VAL 66 H VAL 66 0.676 -3.611 -14.293 395 HA VAL 66 HA VAL 66 2.682 -5.847 -14.317 396 HB VAL 66 HB VAL 66 2.999 -3.074 -15.479 397 1HG1 VAL 66 1HG1 VAL 66 4.807 -4.291 -16.784 398 2HG1 VAL 66 2HG1 VAL 66 4.551 -5.663 -15.705 399 3HG1 VAL 66 3HG1 VAL 66 5.119 -4.126 -15.056 400 1HG2 VAL 66 1HG2 VAL 66 2.655 -4.264 -17.684 401 2HG2 VAL 66 2HG2 VAL 66 1.202 -4.141 -16.693 402 3HG2 VAL 66 3HG2 VAL 66 2.092 -5.661 -16.769 403 H VAL 67 H VAL 67 4.772 -5.226 -13.258 404 HA VAL 67 HA VAL 67 4.426 -3.086 -11.186 405 HB VAL 67 HB VAL 67 5.392 -4.671 -9.553 406 1HG1 VAL 67 1HG1 VAL 67 3.351 -6.481 -10.508 407 2HG1 VAL 67 2HG1 VAL 67 2.831 -4.812 -10.747 408 3HG1 VAL 67 3HG1 VAL 67 3.291 -5.370 -9.139 409 1HG2 VAL 67 1HG2 VAL 67 6.722 -6.256 -10.517 410 2HG2 VAL 67 2HG2 VAL 67 5.829 -6.216 -12.037 411 3HG2 VAL 67 3HG2 VAL 67 5.218 -7.165 -10.682 412 H ARG 68 H ARG 68 6.677 -2.687 -10.096 413 HA ARG 68 HA ARG 68 8.965 -3.140 -11.946 414 1HB ARG 68 2HB ARG 68 7.472 -0.623 -11.452 415 2HB ARG 68 1HB ARG 68 9.229 -0.479 -11.430 416 1HG ARG 68 2HG ARG 68 9.406 -1.412 -13.651 417 2HG ARG 68 1HG ARG 68 7.688 -1.815 -13.669 418 1HD ARG 68 2HD ARG 68 7.042 0.492 -13.756 419 2HD ARG 68 1HD ARG 68 8.684 1.033 -13.356 420 HE ARG 68 HE ARG 68 9.086 -0.464 -15.626 421 1HH1 ARG 68 1HH2 ARG 68 7.599 2.470 -14.714 422 2HH1 ARG 68 2HH2 ARG 68 7.194 2.943 -16.331 423 1HH2 ARG 68 1HH1 ARG 68 8.279 -0.026 -17.756 424 2HH2 ARG 68 2HH1 ARG 68 7.579 1.531 -18.052 425 H LYS 69 H LYS 69 11.012 -2.884 -10.854 426 HA LYS 69 HA LYS 69 10.874 -3.166 -7.928 427 1HB LYS 69 2HB LYS 69 12.341 -4.553 -9.359 428 2HB LYS 69 1HB LYS 69 13.185 -3.101 -9.897 429 1HG LYS 69 2HG LYS 69 13.933 -2.642 -7.615 430 2HG LYS 69 1HG LYS 69 13.019 -4.026 -7.014 431 1HD LYS 69 2HD LYS 69 14.504 -5.202 -8.986 432 2HD LYS 69 1HD LYS 69 15.617 -3.953 -8.422 433 1HE LYS 69 2HE LYS 69 16.085 -5.180 -6.576 434 2HE LYS 69 1HE LYS 69 14.364 -5.211 -6.141 435 1HZ LYS 69 1HZ LYS 69 14.025 -7.168 -7.196 436 2HZ LYS 69 2HZ LYS 69 15.679 -7.390 -6.876 437 3HZ LYS 69 3HZ LYS 69 15.171 -6.854 -8.406 438 H SER 70 H SER 70 12.150 -0.820 -10.283 439 HA SER 70 HA SER 70 12.364 1.179 -8.058 440 1HB SER 70 2HB SER 70 14.498 1.829 -8.881 441 2HB SER 70 1HB SER 70 14.533 0.069 -8.911 442 HG SER 70 HG SER 70 14.537 1.898 -10.978 443 H TYR 71 H TYR 71 11.763 3.327 -8.689 444 HA TYR 71 HA TYR 71 11.254 3.972 -11.504 445 1HB TYR 71 2HB TYR 71 8.833 4.038 -11.320 446 2HB TYR 71 1HB TYR 71 9.385 2.439 -10.822 447 HD1 TYR 71 HD1 TYR 71 8.505 5.812 -9.454 448 HD2 TYR 71 HD2 TYR 71 8.819 1.593 -8.704 449 HE1 TYR 71 HE1 TYR 71 7.438 6.127 -7.234 450 HE2 TYR 71 HE2 TYR 71 7.753 1.904 -6.486 451 HH TYR 71 HH TYR 71 6.417 5.015 -5.504 452 H THR 72 H THR 72 10.869 6.216 -11.794 453 HA THR 72 HA THR 72 11.771 7.997 -9.735 454 HB THR 72 HB THR 72 10.060 8.655 -12.150 455 HG1 THR 72 HG1 THR 72 12.303 8.843 -13.073 456 1HG2 THR 72 1HG2 THR 72 11.092 10.770 -12.083 457 2HG2 THR 72 2HG2 THR 72 12.407 10.193 -11.062 458 3HG2 THR 72 3HG2 THR 72 10.793 10.406 -10.384 459 H GLY 73 H GLY 73 10.619 8.685 -7.972 460 1HA GLY 73 2HA GLY 73 7.634 8.630 -8.160 461 2HA GLY 73 1HA GLY 73 8.520 8.339 -6.663 462 H SER 74 H SER 74 6.686 10.243 -6.434 463 HA SER 74 HA SER 74 8.252 12.663 -5.935 464 1HB SER 74 2HB SER 74 7.667 12.629 -8.413 465 2HB SER 74 1HB SER 74 5.978 12.770 -7.937 466 HG SER 74 HG SER 74 7.793 14.688 -8.178 467 H THR 75 H THR 75 7.407 13.397 -4.024 468 HA THR 75 HA THR 75 5.022 12.418 -2.831 469 HB THR 75 HB THR 75 5.407 14.406 -1.315 470 HG1 THR 75 HG1 THR 75 6.248 15.707 -3.065 471 1HG2 THR 75 1HG2 THR 75 8.027 13.073 -1.902 472 2HG2 THR 75 2HG2 THR 75 6.661 12.112 -1.336 473 3HG2 THR 75 3HG2 THR 75 7.285 13.428 -0.344 474 HA PRO 76 HA PRO 76 2.026 14.913 -4.850 475 1HB PRO 76 2HB PRO 76 -0.083 14.301 -3.238 476 2HB PRO 76 1HB PRO 76 0.582 13.167 -4.426 477 1HG PRO 76 2HG PRO 76 0.859 13.189 -1.488 478 2HG PRO 76 1HG PRO 76 0.915 11.831 -2.621 479 1HD PRO 76 2HD PRO 76 3.120 13.101 -1.411 480 2HD PRO 76 1HD PRO 76 3.170 11.932 -2.747 481 H GLU 77 H GLU 77 3.403 15.600 -1.901 482 HA GLU 77 HA GLU 77 1.534 17.735 -1.095 483 1HB GLU 77 2HB GLU 77 3.307 16.021 0.174 484 2HB GLU 77 1HB GLU 77 4.149 17.572 0.210 485 1HG GLU 77 2HG GLU 77 2.501 18.596 1.490 486 2HG GLU 77 1HG GLU 77 1.243 17.487 0.941 487 H GLY 78 H GLY 78 4.879 17.436 -2.272 488 1HA GLY 78 2HA GLY 78 5.192 19.373 -4.066 489 2HA GLY 78 1HA GLY 78 5.015 20.378 -2.625 490 H THR 79 H THR 79 6.823 17.417 -3.524 491 HA THR 79 HA THR 79 9.388 18.689 -2.944 492 HB THR 79 HB THR 79 8.064 16.767 -1.017 493 HG1 THR 79 HG1 THR 79 8.449 18.417 0.411 494 1HG2 THR 79 1HG2 THR 79 10.852 16.945 -1.758 495 2HG2 THR 79 2HG2 THR 79 10.077 15.851 -0.611 496 3HG2 THR 79 3HG2 THR 79 10.634 17.438 -0.079 497 HA PRO 80 HA PRO 80 9.734 15.187 -5.810 498 1HB PRO 80 2HB PRO 80 11.894 16.216 -7.145 499 2HB PRO 80 1HB PRO 80 10.219 16.678 -7.510 500 1HG PRO 80 2HG PRO 80 12.271 18.123 -5.902 501 2HG PRO 80 1HG PRO 80 11.069 18.762 -7.037 502 1HD PRO 80 2HD PRO 80 10.763 18.860 -4.329 503 2HD PRO 80 1HD PRO 80 9.396 18.776 -5.463 504 H VAL 81 H VAL 81 10.729 13.418 -4.921 505 HA VAL 81 HA VAL 81 13.207 13.768 -3.321 506 HB VAL 81 HB VAL 81 11.429 12.490 -2.317 507 1HG1 VAL 81 1HG1 VAL 81 9.941 11.633 -3.806 508 2HG1 VAL 81 2HG1 VAL 81 11.006 10.228 -3.832 509 3HG1 VAL 81 3HG1 VAL 81 11.161 11.474 -5.069 510 1HG2 VAL 81 1HG2 VAL 81 13.979 11.391 -2.892 511 2HG2 VAL 81 2HG2 VAL 81 12.818 10.074 -3.061 512 3HG2 VAL 81 3HG2 VAL 81 12.914 10.977 -1.550 513 H GLY 82 H GLY 82 12.117 12.424 -6.369 514 1HA GLY 82 2HA GLY 82 13.774 12.147 -8.166 515 2HA GLY 82 1HA GLY 82 14.931 11.653 -6.937 516 H SER 83 H SER 83 15.357 9.637 -7.883 517 HA SER 83 HA SER 83 13.365 7.763 -8.739 518 1HB SER 83 2HB SER 83 15.231 6.292 -8.914 519 2HB SER 83 1HB SER 83 15.891 7.900 -9.199 520 HG SER 83 HG SER 83 16.847 7.860 -7.274 521 H VAL 84 H VAL 84 12.620 5.852 -7.649 522 HA VAL 84 HA VAL 84 12.926 5.855 -4.666 523 HB VAL 84 HB VAL 84 10.461 5.641 -6.412 524 1HG1 VAL 84 1HG1 VAL 84 9.193 4.973 -4.492 525 2HG1 VAL 84 2HG1 VAL 84 10.567 5.225 -3.415 526 3HG1 VAL 84 3HG1 VAL 84 10.578 3.884 -4.561 527 1HG2 VAL 84 1HG2 VAL 84 11.455 7.509 -4.261 528 2HG2 VAL 84 2HG2 VAL 84 9.746 7.424 -4.684 529 3HG2 VAL 84 3HG2 VAL 84 10.933 7.902 -5.898 530 H ASP 85 H ASP 85 14.223 4.016 -4.525 531 HA ASP 85 HA ASP 85 13.596 1.632 -6.154 532 1HB ASP 85 2HB ASP 85 15.777 2.663 -4.411 533 2HB ASP 85 1HB ASP 85 15.600 0.909 -4.474 534 H CYS 86 H CYS 86 12.668 -0.238 -5.310 535 HA CYS 86 HA CYS 86 11.487 -0.010 -2.587 536 1HB CYS 86 2HB CYS 86 10.779 -1.111 -5.191 537 2HB CYS 86 1HB CYS 86 10.525 -2.284 -3.899 538 H ALA 87 H ALA 87 14.351 -0.988 -3.555 539 HA ALA 87 HA ALA 87 14.473 -3.771 -2.726 540 1HB ALA 87 1HB ALA 87 16.008 -2.196 -4.225 541 2HB ALA 87 2HB ALA 87 16.706 -3.548 -3.333 542 3HB ALA 87 3HB ALA 87 16.820 -1.911 -2.686 543 H THR 88 H THR 88 15.844 -0.810 -1.225 544 HA THR 88 HA THR 88 16.242 -2.143 1.340 545 HB THR 88 HB THR 88 17.612 -0.277 0.297 546 HG1 THR 88 HG1 THR 88 18.192 -0.141 2.293 547 1HG2 THR 88 1HG2 THR 88 16.619 1.655 -0.271 548 2HG2 THR 88 2HG2 THR 88 16.006 1.861 1.369 549 3HG2 THR 88 3HG2 THR 88 15.070 0.948 0.187 550 H ALA 89 H ALA 89 13.651 -0.383 -0.158 551 HA ALA 89 HA ALA 89 12.307 0.049 2.463 552 1HB ALA 89 1HB ALA 89 11.132 0.982 -0.100 553 2HB ALA 89 2HB ALA 89 12.682 1.694 0.346 554 3HB ALA 89 3HB ALA 89 11.300 1.838 1.432 555 H ALA 90 H ALA 90 9.655 0.000 1.575 556 HA ALA 90 HA ALA 90 9.303 -2.880 0.804 557 1HB ALA 90 1HB ALA 90 7.705 -1.031 2.598 558 2HB ALA 90 2HB ALA 90 8.697 -2.396 3.113 559 3HB ALA 90 3HB ALA 90 7.221 -2.677 2.191 560 H CYS 91 H CYS 91 7.733 -3.336 -0.782 561 HA CYS 91 HA CYS 91 6.580 -0.948 -2.169 562 1HB CYS 91 2HB CYS 91 8.109 -3.207 -2.999 563 2HB CYS 91 1HB CYS 91 6.504 -3.363 -3.715 564 H ASN 92 H ASN 92 4.357 -0.820 -2.299 565 HA ASN 92 HA ASN 92 2.756 -3.288 -1.797 566 1HB ASN 92 2HB ASN 92 1.456 -2.072 -0.102 567 2HB ASN 92 1HB ASN 92 3.165 -2.070 0.335 568 1HD2 ASN 92 1HD2 ASN 92 4.414 -0.032 -0.437 569 2HD2 ASN 92 2HD2 ASN 92 3.579 1.445 -0.392 570 H LEU 93 H LEU 93 1.008 -3.382 -3.160 571 HA LEU 93 HA LEU 93 0.472 -1.068 -4.943 572 1HB LEU 93 2HB LEU 93 0.786 -3.202 -6.004 573 2HB LEU 93 1HB LEU 93 -0.298 -3.999 -4.864 574 HG LEU 93 HG LEU 93 -2.129 -2.439 -5.758 575 1HD1 LEU 93 1HD1 LEU 93 -1.597 -0.939 -7.347 576 2HD1 LEU 93 2HD1 LEU 93 -0.904 -2.207 -8.361 577 3HD1 LEU 93 3HD1 LEU 93 0.097 -1.395 -7.156 578 1HD2 LEU 93 1HD2 LEU 93 -2.251 -4.732 -6.367 579 2HD2 LEU 93 2HD2 LEU 93 -0.818 -4.621 -7.388 580 3HD2 LEU 93 3HD2 LEU 93 -2.326 -3.865 -7.901 581 H GLY 94 H GLY 94 -1.129 0.340 -4.281 582 1HA GLY 94 2HA GLY 94 -3.326 -0.805 -2.600 583 2HA GLY 94 1HA GLY 94 -2.788 0.867 -2.501 584 H ALA 95 H ALA 95 -5.481 -0.137 -3.044 585 HA ALA 95 HA ALA 95 -5.956 1.399 -5.555 586 1HB ALA 95 1HB ALA 95 -6.371 -1.522 -5.076 587 2HB ALA 95 2HB ALA 95 -5.921 -0.684 -6.561 588 3HB ALA 95 3HB ALA 95 -7.598 -0.675 -6.018 589 H GLY 96 H GLY 96 -7.822 2.642 -5.325 590 1HA GLY 96 2HA GLY 96 -10.185 1.857 -3.969 591 2HA GLY 96 1HA GLY 96 -9.195 2.747 -2.814 592 H ASN 97 H ASN 97 -11.660 3.765 -3.580 593 HA ASN 97 HA ASN 97 -11.315 5.727 -5.733 594 1HB ASN 97 2HB ASN 97 -13.420 4.407 -4.811 595 2HB ASN 97 1HB ASN 97 -13.511 5.764 -3.688 596 1HD2 ASN 97 1HD2 ASN 97 -15.270 6.939 -4.569 597 2HD2 ASN 97 2HD2 ASN 97 -15.300 7.538 -6.155 598 H SER 98 H SER 98 -12.675 7.912 -4.465 599 HA SER 98 HA SER 98 -10.420 9.164 -3.079 600 1HB SER 98 2HB SER 98 -11.575 10.538 -4.599 601 2HB SER 98 1HB SER 98 -13.150 9.952 -4.072 602 HG SER 98 HG SER 98 -12.418 12.117 -3.323 603 H GLY 99 H GLY 99 -13.580 7.851 -2.231 604 1HA GLY 99 2HA GLY 99 -12.993 8.496 0.633 605 2HA GLY 99 1HA GLY 99 -14.630 8.490 -0.022 606 H LEU 100 H LEU 100 -13.574 6.056 -1.697 607 HA LEU 100 HA LEU 100 -14.316 4.052 0.379 608 1HB LEU 100 2HB LEU 100 -15.386 4.471 -2.001 609 2HB LEU 100 1HB LEU 100 -14.015 3.518 -2.563 610 HG LEU 100 HG LEU 100 -16.072 2.148 -2.087 611 1HD1 LEU 100 1HD1 LEU 100 -14.126 1.238 -0.046 612 2HD1 LEU 100 2HD1 LEU 100 -13.456 1.553 -1.647 613 3HD1 LEU 100 3HD1 LEU 100 -14.766 0.387 -1.452 614 1HD2 LEU 100 1HD2 LEU 100 -16.918 1.927 0.103 615 2HD2 LEU 100 2HD2 LEU 100 -16.602 3.657 -0.028 616 3HD2 LEU 100 3HD2 LEU 100 -15.468 2.615 0.831 617 H ASP 101 H ASP 101 -12.714 2.791 1.230 618 HA ASP 101 HA ASP 101 -10.105 2.638 -0.233 619 1HB ASP 101 2HB ASP 101 -9.145 2.320 1.969 620 2HB ASP 101 1HB ASP 101 -10.269 3.677 2.067 621 H LEU 102 H LEU 102 -9.888 0.711 -1.313 622 HA LEU 102 HA LEU 102 -11.448 -1.648 -0.571 623 1HB LEU 102 2HB LEU 102 -9.273 -1.107 -2.605 624 2HB LEU 102 1HB LEU 102 -10.205 -2.600 -2.529 625 HG LEU 102 HG LEU 102 -11.348 0.179 -2.938 626 1HD1 LEU 102 1HD1 LEU 102 -11.148 -2.190 -4.823 627 2HD1 LEU 102 2HD1 LEU 102 -10.153 -0.737 -4.911 628 3HD1 LEU 102 3HD1 LEU 102 -11.891 -0.634 -5.189 629 1HD2 LEU 102 1HD2 LEU 102 -12.557 -2.539 -2.501 630 2HD2 LEU 102 2HD2 LEU 102 -13.400 -1.366 -3.511 631 3HD2 LEU 102 3HD2 LEU 102 -13.045 -0.984 -1.826 632 H GLY 103 H GLY 103 -7.918 -1.160 -0.970 633 1HA GLY 103 2HA GLY 103 -7.101 -2.055 1.549 634 2HA GLY 103 1HA GLY 103 -7.306 -3.515 0.585 635 H HIS 104 H HIS 104 -4.859 -3.327 1.325 636 HA HIS 104 HA HIS 104 -3.339 -2.268 -1.026 637 1HB HIS 104 2HB HIS 104 -3.166 -1.638 1.869 638 2HB HIS 104 1HB HIS 104 -1.622 -1.917 1.066 639 HD1 HIS 104 HD1 HIS 104 -0.654 0.203 0.220 640 HD2 HIS 104 HD2 HIS 104 -4.816 0.241 0.000 641 HE1 HIS 104 HE1 HIS 104 -1.299 2.449 -0.759 642 H VAL 105 H VAL 105 -2.255 -4.018 -1.906 643 HA VAL 105 HA VAL 105 -1.769 -6.417 -0.227 644 HB VAL 105 HB VAL 105 -1.498 -5.812 -3.186 645 1HG1 VAL 105 1HG1 VAL 105 -1.477 -8.417 -3.235 646 2HG1 VAL 105 2HG1 VAL 105 -0.971 -8.288 -1.550 647 3HG1 VAL 105 3HG1 VAL 105 0.019 -7.577 -2.825 648 1HG2 VAL 105 1HG2 VAL 105 -3.595 -7.123 -1.456 649 2HG2 VAL 105 2HG2 VAL 105 -3.467 -7.511 -3.172 650 3HG2 VAL 105 3HG2 VAL 105 -3.801 -5.855 -2.664 651 H ALA 106 H ALA 106 0.211 -6.698 0.704 652 HA ALA 106 HA ALA 106 2.445 -4.933 0.127 653 1HB ALA 106 1HB ALA 106 1.887 -5.903 2.345 654 2HB ALA 106 2HB ALA 106 3.532 -6.309 1.852 655 3HB ALA 106 3HB ALA 106 2.249 -7.510 1.714 656 H LEU 107 H LEU 107 3.376 -5.218 -1.906 657 HA LEU 107 HA LEU 107 3.683 -7.855 -3.128 658 1HB LEU 107 2HB LEU 107 4.922 -5.174 -3.825 659 2HB LEU 107 1HB LEU 107 4.722 -6.552 -4.908 660 HG LEU 107 HG LEU 107 2.510 -4.919 -3.634 661 1HD1 LEU 107 1HD1 LEU 107 3.882 -4.932 -6.240 662 2HD1 LEU 107 2HD1 LEU 107 2.906 -3.669 -5.489 663 3HD1 LEU 107 3HD1 LEU 107 2.124 -4.990 -6.359 664 1HD2 LEU 107 1HD2 LEU 107 1.951 -7.334 -3.730 665 2HD2 LEU 107 2HD2 LEU 107 2.351 -7.350 -5.448 666 3HD2 LEU 107 3HD2 LEU 107 0.980 -6.403 -4.871 667 H THR 108 H THR 108 5.446 -9.195 -2.918 668 HA THR 108 HA THR 108 7.860 -8.103 -1.509 669 HB THR 108 HB THR 108 7.366 -11.015 -1.552 670 HG1 THR 108 HG1 THR 108 5.626 -10.882 -0.149 671 1HG2 THR 108 1HG2 THR 108 7.480 -9.624 1.015 672 2HG2 THR 108 2HG2 THR 108 8.817 -9.185 -0.049 673 3HG2 THR 108 3HG2 THR 108 8.544 -10.875 0.369 674 H PHE 109 H PHE 109 9.919 -8.758 -2.329 675 HA PHE 109 HA PHE 109 9.842 -9.857 -5.114 676 1HB PHE 109 2HB PHE 109 11.497 -7.855 -3.620 677 2HB PHE 109 1HB PHE 109 12.235 -8.712 -4.973 678 HD1 PHE 109 HD1 PHE 109 9.215 -6.719 -4.031 679 HD2 PHE 109 HD2 PHE 109 11.806 -8.043 -7.190 680 HE1 PHE 109 HE1 PHE 109 8.040 -5.223 -5.622 681 HE2 PHE 109 HE2 PHE 109 10.631 -6.547 -8.781 682 HZ PHE 109 HZ PHE 109 8.747 -5.137 -7.998 683 H GLY 110 H GLY 110 11.906 -11.117 -5.676 684 1HA GLY 110 2HA GLY 110 12.931 -12.638 -3.317 685 2HA GLY 110 1HA GLY 110 12.352 -13.494 -4.747 Start of MODEL 3 1 1H ALA 1 1H ALA 1 -15.378 -5.096 4.119 2 2H ALA 1 2H ALA 1 -13.790 -4.676 4.551 3 3H ALA 1 3H ALA 1 -14.097 -6.159 3.783 4 HA ALA 1 HA ALA 1 -14.852 -3.670 2.402 5 1HB ALA 1 1HB ALA 1 -12.169 -4.596 1.785 6 2HB ALA 1 2HB ALA 1 -12.307 -4.179 3.493 7 3HB ALA 1 3HB ALA 1 -12.702 -2.982 2.259 8 HA PRO 2 HA PRO 2 -15.389 -6.476 -0.926 9 1HB PRO 2 2HB PRO 2 -14.006 -5.416 -3.039 10 2HB PRO 2 1HB PRO 2 -15.510 -4.701 -2.412 11 1HG PRO 2 2HG PRO 2 -12.686 -3.870 -1.960 12 2HG PRO 2 1HG PRO 2 -14.139 -2.879 -2.159 13 1HD PRO 2 2HD PRO 2 -12.970 -3.405 0.266 14 2HD PRO 2 1HD PRO 2 -14.692 -3.014 0.057 15 H ALA 3 H ALA 3 -13.696 -7.331 -3.006 16 HA ALA 3 HA ALA 3 -11.524 -8.698 -1.463 17 1HB ALA 3 1HB ALA 3 -12.752 -9.594 -4.071 18 2HB ALA 3 2HB ALA 3 -13.538 -9.927 -2.530 19 3HB ALA 3 3HB ALA 3 -11.931 -10.574 -2.859 20 H PHE 4 H PHE 4 -9.444 -8.271 -2.083 21 HA PHE 4 HA PHE 4 -8.865 -7.417 -4.874 22 1HB PHE 4 2HB PHE 4 -9.376 -5.371 -3.587 23 2HB PHE 4 1HB PHE 4 -8.187 -5.834 -2.369 24 HD1 PHE 4 HD1 PHE 4 -8.707 -3.950 -5.315 25 HD2 PHE 4 HD2 PHE 4 -5.756 -6.355 -3.325 26 HE1 PHE 4 HE1 PHE 4 -6.920 -2.859 -6.645 27 HE2 PHE 4 HE2 PHE 4 -3.972 -5.266 -4.653 28 HZ PHE 4 HZ PHE 4 -4.551 -3.516 -6.314 29 H SER 5 H SER 5 -7.309 -8.939 -5.389 30 HA SER 5 HA SER 5 -4.914 -9.107 -3.650 31 1HB SER 5 2HB SER 5 -7.069 -11.022 -3.731 32 2HB SER 5 1HB SER 5 -5.579 -11.775 -4.294 33 HG SER 5 HG SER 5 -6.055 -11.691 -1.918 34 H VAL 6 H VAL 6 -3.064 -9.828 -4.781 35 HA VAL 6 HA VAL 6 -3.370 -10.001 -7.755 36 HB VAL 6 HB VAL 6 -2.005 -8.188 -6.523 37 1HG1 VAL 6 1HG1 VAL 6 -1.035 -10.065 -4.978 38 2HG1 VAL 6 2HG1 VAL 6 0.035 -8.766 -5.509 39 3HG1 VAL 6 3HG1 VAL 6 0.094 -10.338 -6.305 40 1HG2 VAL 6 1HG2 VAL 6 -0.311 -8.170 -8.233 41 2HG2 VAL 6 2HG2 VAL 6 -1.753 -8.878 -8.962 42 3HG2 VAL 6 3HG2 VAL 6 -0.423 -9.916 -8.449 43 H SER 7 H SER 7 -1.488 -11.423 -8.732 44 HA SER 7 HA SER 7 -1.710 -14.074 -7.494 45 1HB SER 7 2HB SER 7 -0.879 -12.864 -10.051 46 2HB SER 7 1HB SER 7 -0.005 -14.330 -9.619 47 HG SER 7 HG SER 7 -2.047 -15.337 -9.319 48 HA PRO 8 HA PRO 8 2.929 -13.775 -6.812 49 1HB PRO 8 2HB PRO 8 4.485 -11.951 -8.096 50 2HB PRO 8 1HB PRO 8 4.005 -13.488 -8.843 51 1HG PRO 8 2HG PRO 8 2.989 -10.753 -9.337 52 2HG PRO 8 1HG PRO 8 3.110 -12.131 -10.437 53 1HD PRO 8 2HD PRO 8 0.776 -11.247 -9.164 54 2HD PRO 8 1HD PRO 8 1.018 -12.808 -9.967 55 H ALA 9 H ALA 9 2.189 -12.831 -4.748 56 HA ALA 9 HA ALA 9 2.400 -9.885 -4.455 57 1HB ALA 9 1HB ALA 9 0.910 -12.022 -3.311 58 2HB ALA 9 2HB ALA 9 0.762 -10.298 -2.967 59 3HB ALA 9 3HB ALA 9 1.863 -11.297 -2.017 60 H SER 10 H SER 10 4.530 -12.452 -4.306 61 HA SER 10 HA SER 10 6.331 -10.930 -2.463 62 1HB SER 10 2HB SER 10 6.114 -13.936 -2.453 63 2HB SER 10 1HB SER 10 6.790 -12.886 -1.211 64 HG SER 10 HG SER 10 4.376 -13.829 -1.296 65 H GLY 11 H GLY 11 8.134 -10.452 -3.656 66 1HA GLY 11 2HA GLY 11 10.054 -10.879 -4.973 67 2HA GLY 11 1HA GLY 11 9.523 -12.556 -5.133 68 H LEU 12 H LEU 12 8.696 -9.268 -6.253 69 HA LEU 12 HA LEU 12 7.364 -10.421 -8.649 70 1HB LEU 12 2HB LEU 12 7.581 -7.719 -7.327 71 2HB LEU 12 1HB LEU 12 6.935 -7.870 -8.962 72 HG LEU 12 HG LEU 12 5.870 -9.672 -6.814 73 1HD1 LEU 12 1HD1 LEU 12 5.291 -7.847 -5.585 74 2HD1 LEU 12 2HD1 LEU 12 4.076 -7.594 -6.839 75 3HD1 LEU 12 3HD1 LEU 12 5.614 -6.735 -6.916 76 1HD2 LEU 12 1HD2 LEU 12 4.817 -10.231 -8.777 77 2HD2 LEU 12 2HD2 LEU 12 5.094 -8.644 -9.496 78 3HD2 LEU 12 3HD2 LEU 12 3.780 -8.873 -8.341 79 H SER 13 H SER 13 7.933 -9.348 -10.798 80 HA SER 13 HA SER 13 10.881 -8.881 -10.965 81 1HB SER 13 2HB SER 13 8.919 -10.043 -12.951 82 2HB SER 13 1HB SER 13 10.644 -9.856 -13.235 83 HG SER 13 HG SER 13 9.486 -11.902 -12.171 84 H ASP 14 H ASP 14 11.586 -7.053 -12.084 85 HA ASP 14 HA ASP 14 9.813 -4.830 -12.437 86 1HB ASP 14 2HB ASP 14 11.879 -3.894 -13.592 87 2HB ASP 14 1HB ASP 14 12.150 -4.526 -11.967 88 H GLY 15 H GLY 15 8.500 -4.340 -14.149 89 1HA GLY 15 2HA GLY 15 7.888 -4.125 -16.443 90 2HA GLY 15 1HA GLY 15 9.228 -5.186 -16.864 91 H GLN 16 H GLN 16 8.349 -7.165 -14.795 92 HA GLN 16 HA GLN 16 6.781 -8.871 -16.454 93 1HB GLN 16 2HB GLN 16 8.219 -9.709 -14.718 94 2HB GLN 16 1HB GLN 16 7.365 -8.777 -13.488 95 1HG GLN 16 2HG GLN 16 5.348 -10.104 -13.821 96 2HG GLN 16 1HG GLN 16 6.108 -10.977 -15.152 97 1HE2 GLN 16 1HE2 GLN 16 5.926 -10.717 -11.655 98 2HE2 GLN 16 2HE2 GLN 16 6.933 -12.040 -11.314 99 H SER 17 H SER 17 4.562 -9.424 -16.349 100 HA SER 17 HA SER 17 2.795 -7.305 -15.243 101 1HB SER 17 2HB SER 17 2.766 -8.216 -17.636 102 2HB SER 17 1HB SER 17 2.098 -9.698 -16.961 103 HG SER 17 HG SER 17 0.532 -8.094 -17.691 104 H VAL 18 H VAL 18 1.143 -7.801 -13.742 105 HA VAL 18 HA VAL 18 1.319 -10.500 -12.462 106 HB VAL 18 HB VAL 18 0.654 -9.229 -10.405 107 1HG1 VAL 18 1HG1 VAL 18 3.071 -8.039 -11.790 108 2HG1 VAL 18 2HG1 VAL 18 3.053 -9.645 -11.062 109 3HG1 VAL 18 3HG1 VAL 18 2.821 -8.217 -10.052 110 1HG2 VAL 18 1HG2 VAL 18 1.282 -6.690 -11.874 111 2HG2 VAL 18 2HG2 VAL 18 0.306 -6.928 -10.426 112 3HG2 VAL 18 3HG2 VAL 18 -0.344 -7.360 -12.007 113 H SER 19 H SER 19 -0.737 -11.341 -11.646 114 HA SER 19 HA SER 19 -3.044 -10.466 -13.302 115 1HB SER 19 2HB SER 19 -3.634 -12.703 -11.634 116 2HB SER 19 1HB SER 19 -3.345 -12.705 -13.371 117 HG SER 19 HG SER 19 -1.440 -13.512 -13.005 118 H VAL 20 H VAL 20 -4.594 -9.154 -12.410 119 HA VAL 20 HA VAL 20 -4.719 -8.990 -9.424 120 HB VAL 20 HB VAL 20 -5.189 -7.069 -11.699 121 1HG1 VAL 20 1HG1 VAL 20 -6.042 -5.462 -9.949 122 2HG1 VAL 20 2HG1 VAL 20 -6.172 -6.826 -8.839 123 3HG1 VAL 20 3HG1 VAL 20 -7.151 -6.786 -10.305 124 1HG2 VAL 20 1HG2 VAL 20 -3.852 -5.779 -9.694 125 2HG2 VAL 20 2HG2 VAL 20 -3.061 -6.649 -11.009 126 3HG2 VAL 20 3HG2 VAL 20 -3.310 -7.439 -9.451 127 H SER 21 H SER 21 -6.744 -9.174 -8.435 128 HA SER 21 HA SER 21 -9.104 -9.671 -10.195 129 1HB SER 21 2HB SER 21 -9.399 -11.629 -8.355 130 2HB SER 21 1HB SER 21 -8.556 -11.879 -9.881 131 HG SER 21 HG SER 21 -6.982 -12.418 -8.571 132 H VAL 22 H VAL 22 -10.829 -8.546 -9.391 133 HA VAL 22 HA VAL 22 -10.850 -7.907 -6.462 134 HB VAL 22 HB VAL 22 -11.671 -6.243 -8.861 135 1HG1 VAL 22 1HG1 VAL 22 -13.101 -5.300 -7.366 136 2HG1 VAL 22 2HG1 VAL 22 -11.649 -4.580 -6.670 137 3HG1 VAL 22 3HG1 VAL 22 -12.309 -6.067 -5.989 138 1HG2 VAL 22 1HG2 VAL 22 -9.291 -6.351 -7.056 139 2HG2 VAL 22 2HG2 VAL 22 -9.847 -4.760 -7.576 140 3HG2 VAL 22 3HG2 VAL 22 -9.376 -5.965 -8.775 141 H SER 23 H SER 23 -12.789 -8.333 -5.427 142 HA SER 23 HA SER 23 -15.256 -8.751 -7.010 143 1HB SER 23 2HB SER 23 -13.896 -10.827 -5.278 144 2HB SER 23 1HB SER 23 -15.527 -10.995 -5.920 145 HG SER 23 HG SER 23 -14.701 -10.995 -7.972 146 H GLY 24 H GLY 24 -16.706 -7.519 -5.903 147 1HA GLY 24 2HA GLY 24 -17.761 -7.939 -3.422 148 2HA GLY 24 1HA GLY 24 -16.344 -6.954 -3.051 149 H ALA 25 H ALA 25 -16.166 -4.963 -4.631 150 HA ALA 25 HA ALA 25 -18.269 -3.170 -4.122 151 1HB ALA 25 1HB ALA 25 -15.885 -3.373 -5.838 152 2HB ALA 25 2HB ALA 25 -16.440 -2.023 -4.847 153 3HB ALA 25 3HB ALA 25 -17.110 -2.267 -6.459 154 H ALA 26 H ALA 26 -19.346 -2.014 -6.285 155 HA ALA 26 HA ALA 26 -20.412 -4.070 -8.143 156 1HB ALA 26 1HB ALA 26 -22.731 -2.872 -7.339 157 2HB ALA 26 2HB ALA 26 -21.809 -2.865 -5.834 158 3HB ALA 26 3HB ALA 26 -22.128 -4.390 -6.671 159 H ALA 27 H ALA 27 -21.317 -3.188 -10.037 160 HA ALA 27 HA ALA 27 -20.338 -1.077 -11.385 161 1HB ALA 27 1HB ALA 27 -22.953 -2.416 -11.244 162 2HB ALA 27 2HB ALA 27 -21.945 -2.069 -12.648 163 3HB ALA 27 3HB ALA 27 -23.012 -0.824 -11.998 164 H GLY 28 H GLY 28 -20.326 1.132 -11.297 165 1HA GLY 28 2HA GLY 28 -21.463 3.260 -10.820 166 2HA GLY 28 1HA GLY 28 -22.205 2.476 -9.427 167 H GLU 29 H GLU 29 -18.982 1.527 -9.824 168 HA GLU 29 HA GLU 29 -17.963 3.698 -8.051 169 1HB GLU 29 2HB GLU 29 -17.744 0.720 -7.523 170 2HB GLU 29 1HB GLU 29 -17.146 2.013 -6.483 171 1HG GLU 29 2HG GLU 29 -20.056 1.628 -7.238 172 2HG GLU 29 1HG GLU 29 -19.337 1.099 -5.716 173 H THR 30 H THR 30 -16.128 4.413 -9.039 174 HA THR 30 HA THR 30 -14.521 2.502 -10.679 175 HB THR 30 HB THR 30 -14.307 5.515 -10.526 176 HG1 THR 30 HG1 THR 30 -15.918 5.662 -11.962 177 1HG2 THR 30 1HG2 THR 30 -13.566 3.404 -12.557 178 2HG2 THR 30 2HG2 THR 30 -12.487 4.512 -11.709 179 3HG2 THR 30 3HG2 THR 30 -13.595 5.126 -12.936 180 H TYR 31 H TYR 31 -12.403 2.027 -10.041 181 HA TYR 31 HA TYR 31 -11.391 3.472 -7.612 182 1HB TYR 31 2HB TYR 31 -10.973 0.584 -8.416 183 2HB TYR 31 1HB TYR 31 -10.528 1.328 -6.879 184 HD1 TYR 31 HD1 TYR 31 -12.633 2.747 -5.830 185 HD2 TYR 31 HD2 TYR 31 -12.896 -0.719 -8.353 186 HE1 TYR 31 HE1 TYR 31 -14.892 2.265 -4.931 187 HE2 TYR 31 HE2 TYR 31 -15.154 -1.200 -7.450 188 HH TYR 31 HH TYR 31 -16.832 -0.439 -6.190 189 H TYR 32 H TYR 32 -8.981 3.361 -7.402 190 HA TYR 32 HA TYR 32 -7.631 3.384 -10.082 191 1HB TYR 32 2HB TYR 32 -7.003 5.045 -7.623 192 2HB TYR 32 1HB TYR 32 -6.363 5.272 -9.252 193 HD1 TYR 32 HD1 TYR 32 -8.546 6.690 -7.045 194 HD2 TYR 32 HD2 TYR 32 -8.504 5.181 -11.063 195 HE1 TYR 32 HE1 TYR 32 -10.486 8.130 -7.606 196 HE2 TYR 32 HE2 TYR 32 -10.443 6.619 -11.628 197 HH TYR 32 HH TYR 32 -12.421 7.971 -9.450 198 H ILE 33 H ILE 33 -6.399 1.522 -10.109 199 HA ILE 33 HA ILE 33 -5.233 0.455 -7.614 200 HB ILE 33 HB ILE 33 -6.317 -0.911 -9.423 201 1HG1 ILE 33 2HG1 ILE 33 -3.468 -1.791 -9.404 202 2HG1 ILE 33 1HG1 ILE 33 -4.245 -1.571 -7.836 203 1HG2 ILE 33 1HG2 ILE 33 -3.879 -0.769 -11.089 204 2HG2 ILE 33 2HG2 ILE 33 -4.895 0.672 -11.124 205 3HG2 ILE 33 3HG2 ILE 33 -5.571 -0.893 -11.575 206 1HD1 ILE 33 1HD1 ILE 33 -5.340 -3.259 -10.103 207 2HD1 ILE 33 2HD1 ILE 33 -6.076 -3.061 -8.511 208 3HD1 ILE 33 3HD1 ILE 33 -4.526 -3.886 -8.670 209 H ALA 34 H ALA 34 -3.349 1.407 -6.920 210 HA ALA 34 HA ALA 34 -1.143 1.718 -8.898 211 1HB ALA 34 1HB ALA 34 -2.243 3.862 -8.915 212 2HB ALA 34 2HB ALA 34 -0.774 4.045 -7.957 213 3HB ALA 34 3HB ALA 34 -2.335 3.885 -7.154 214 H GLN 35 H GLN 35 0.961 2.170 -7.749 215 HA GLN 35 HA GLN 35 0.959 1.114 -4.941 216 1HB GLN 35 2HB GLN 35 1.655 -0.567 -6.620 217 2HB GLN 35 1HB GLN 35 2.886 0.548 -7.216 218 1HG GLN 35 2HG GLN 35 3.195 0.376 -4.389 219 2HG GLN 35 1HG GLN 35 3.066 -1.270 -5.010 220 1HE2 GLN 35 1HE2 GLN 35 4.804 -2.080 -6.308 221 2HE2 GLN 35 2HE2 GLN 35 6.215 -1.190 -6.619 222 H CYS 36 H CYS 36 2.332 2.210 -3.528 223 HA CYS 36 HA CYS 36 4.171 4.268 -4.681 224 1HB CYS 36 2HB CYS 36 2.431 4.817 -2.276 225 2HB CYS 36 1HB CYS 36 3.210 5.974 -3.348 226 H ALA 37 H ALA 37 5.737 5.041 -2.973 227 HA ALA 37 HA ALA 37 6.102 3.257 -0.635 228 1HB ALA 37 1HB ALA 37 8.303 3.644 -2.674 229 2HB ALA 37 2HB ALA 37 7.162 2.304 -2.788 230 3HB ALA 37 3HB ALA 37 8.217 2.447 -1.382 231 HA PRO 38 HA PRO 38 7.633 7.006 1.053 232 1HB PRO 38 2HB PRO 38 9.312 6.048 2.988 233 2HB PRO 38 1HB PRO 38 7.544 6.003 3.125 234 1HG PRO 38 2HG PRO 38 9.435 3.829 2.367 235 2HG PRO 38 1HG PRO 38 7.969 3.755 3.360 236 1HD PRO 38 2HD PRO 38 8.058 2.950 0.751 237 2HD PRO 38 1HD PRO 38 6.586 3.567 1.537 238 H VAL 39 H VAL 39 9.744 8.194 1.453 239 HA VAL 39 HA VAL 39 11.979 7.096 -0.213 240 HB VAL 39 HB VAL 39 12.223 9.491 -1.018 241 1HG1 VAL 39 1HG1 VAL 39 9.459 8.649 -1.744 242 2HG1 VAL 39 2HG1 VAL 39 10.749 7.480 -2.028 243 3HG1 VAL 39 3HG1 VAL 39 10.817 9.070 -2.787 244 1HG2 VAL 39 1HG2 VAL 39 9.395 9.950 -0.160 245 2HG2 VAL 39 2HG2 VAL 39 10.684 11.120 -0.449 246 3HG2 VAL 39 3HG2 VAL 39 10.665 10.178 1.043 247 H GLY 40 H GLY 40 12.362 6.646 2.320 248 1HA GLY 40 2HA GLY 40 13.876 7.055 4.069 249 2HA GLY 40 1HA GLY 40 14.531 8.376 3.103 250 H GLY 41 H GLY 41 11.217 8.812 3.374 251 1HA GLY 41 2HA GLY 41 10.671 9.756 5.915 252 2HA GLY 41 1HA GLY 41 11.576 11.070 5.178 253 H GLN 42 H GLN 42 10.697 11.366 2.715 254 HA GLN 42 HA GLN 42 7.934 12.267 3.037 255 1HB GLN 42 2HB GLN 42 10.010 12.290 0.844 256 2HB GLN 42 1HB GLN 42 8.379 12.903 0.573 257 1HG GLN 42 2HG GLN 42 8.634 14.531 2.355 258 2HG GLN 42 1HG GLN 42 10.199 13.850 2.804 259 1HE2 GLN 42 1HE2 GLN 42 12.044 14.506 1.591 260 2HE2 GLN 42 2HE2 GLN 42 11.967 15.598 0.294 261 H ASP 43 H ASP 43 6.862 11.803 0.505 262 HA ASP 43 HA ASP 43 6.706 8.816 0.311 263 1HB ASP 43 2HB ASP 43 4.852 10.369 1.535 264 2HB ASP 43 1HB ASP 43 4.254 10.434 -0.124 265 H ALA 44 H ALA 44 6.603 8.061 -1.800 266 HA ALA 44 HA ALA 44 6.080 10.001 -4.006 267 1HB ALA 44 1HB ALA 44 8.524 8.238 -3.632 268 2HB ALA 44 2HB ALA 44 8.488 10.002 -3.629 269 3HB ALA 44 3HB ALA 44 8.159 9.116 -5.118 270 H CYS 45 H CYS 45 4.683 9.039 -5.452 271 HA CYS 45 HA CYS 45 4.474 6.049 -5.403 272 1HB CYS 45 2HB CYS 45 2.545 7.582 -4.724 273 2HB CYS 45 1HB CYS 45 2.459 8.057 -6.420 274 H ASN 46 H ASN 46 3.791 5.099 -7.570 275 HA ASN 46 HA ASN 46 5.327 6.431 -9.772 276 1HB ASN 46 2HB ASN 46 5.611 4.158 -10.624 277 2HB ASN 46 1HB ASN 46 6.052 4.193 -8.918 278 1HD2 ASN 46 1HD2 ASN 46 5.203 1.775 -10.243 279 2HD2 ASN 46 2HD2 ASN 46 3.726 1.293 -9.560 280 HA PRO 47 HA PRO 47 1.105 6.869 -11.328 281 1HB PRO 47 2HB PRO 47 1.668 8.986 -12.956 282 2HB PRO 47 1HB PRO 47 1.354 9.160 -11.218 283 1HG PRO 47 2HG PRO 47 3.937 9.196 -12.685 284 2HG PRO 47 1HG PRO 47 3.437 10.107 -11.253 285 1HD PRO 47 2HD PRO 47 5.057 7.869 -11.205 286 2HD PRO 47 1HD PRO 47 4.105 8.464 -9.827 287 H ALA 48 H ALA 48 4.158 6.432 -12.966 288 HA ALA 48 HA ALA 48 3.333 6.210 -15.669 289 1HB ALA 48 1HB ALA 48 5.439 5.175 -15.956 290 2HB ALA 48 2HB ALA 48 5.384 4.434 -14.357 291 3HB ALA 48 3HB ALA 48 5.657 6.169 -14.516 292 H THR 49 H THR 49 3.353 3.761 -13.087 293 HA THR 49 HA THR 49 2.021 1.821 -14.920 294 HB THR 49 HB THR 49 2.432 0.603 -12.463 295 HG1 THR 49 HG1 THR 49 4.568 1.287 -11.930 296 1HG2 THR 49 1HG2 THR 49 3.030 -0.352 -14.619 297 2HG2 THR 49 2HG2 THR 49 4.446 -0.368 -13.567 298 3HG2 THR 49 3HG2 THR 49 4.301 0.853 -14.831 299 H ALA 50 H ALA 50 0.962 4.291 -13.149 300 HA ALA 50 HA ALA 50 -1.065 3.002 -11.478 301 1HB ALA 50 1HB ALA 50 -1.788 5.404 -11.231 302 2HB ALA 50 2HB ALA 50 -0.554 5.841 -12.414 303 3HB ALA 50 3HB ALA 50 -0.083 5.139 -10.867 304 H THR 51 H THR 51 -3.099 2.422 -12.146 305 HA THR 51 HA THR 51 -4.176 3.599 -14.660 306 HB THR 51 HB THR 51 -3.122 1.479 -15.230 307 HG1 THR 51 HG1 THR 51 -4.807 0.836 -16.314 308 1HG2 THR 51 1HG2 THR 51 -3.816 0.776 -12.628 309 2HG2 THR 51 2HG2 THR 51 -3.064 -0.274 -13.821 310 3HG2 THR 51 3HG2 THR 51 -4.818 -0.264 -13.635 311 H SER 52 H SER 52 -6.583 3.174 -14.832 312 HA SER 52 HA SER 52 -7.828 2.842 -12.122 313 1HB SER 52 2HB SER 52 -8.647 4.739 -14.331 314 2HB SER 52 1HB SER 52 -9.294 4.688 -12.694 315 HG SER 52 HG SER 52 -7.717 6.300 -12.867 316 H PHE 53 H PHE 53 -9.817 1.731 -12.094 317 HA PHE 53 HA PHE 53 -10.907 0.770 -14.699 318 1HB PHE 53 2HB PHE 53 -10.893 -1.515 -13.845 319 2HB PHE 53 1HB PHE 53 -9.265 -0.852 -13.719 320 HD1 PHE 53 HD1 PHE 53 -12.085 -2.221 -11.916 321 HD2 PHE 53 HD2 PHE 53 -8.483 0.081 -11.490 322 HE1 PHE 53 HE1 PHE 53 -12.090 -2.664 -9.475 323 HE2 PHE 53 HE2 PHE 53 -8.489 -0.362 -9.050 324 HZ PHE 53 HZ PHE 53 -10.290 -1.734 -8.044 325 H THR 54 H THR 54 -13.017 -0.637 -13.991 326 HA THR 54 HA THR 54 -14.435 0.747 -11.773 327 HB THR 54 HB THR 54 -15.565 0.394 -14.559 328 HG1 THR 54 HG1 THR 54 -15.157 2.825 -14.413 329 1HG2 THR 54 1HG2 THR 54 -16.438 1.714 -12.018 330 2HG2 THR 54 2HG2 THR 54 -17.379 0.751 -13.157 331 3HG2 THR 54 3HG2 THR 54 -16.943 2.414 -13.556 332 H THR 55 H THR 55 -16.337 -0.477 -11.026 333 HA THR 55 HA THR 55 -15.970 -3.336 -11.064 334 HB THR 55 HB THR 55 -18.270 -3.189 -9.932 335 HG1 THR 55 HG1 THR 55 -18.784 -0.977 -9.399 336 1HG2 THR 55 1HG2 THR 55 -15.690 -2.160 -9.108 337 2HG2 THR 55 2HG2 THR 55 -16.857 -3.118 -8.197 338 3HG2 THR 55 3HG2 THR 55 -17.011 -1.362 -8.256 339 H ASP 56 H ASP 56 -18.719 -4.190 -11.362 340 HA ASP 56 HA ASP 56 -19.496 -3.520 -14.146 341 1HB ASP 56 2HB ASP 56 -17.601 -5.388 -13.838 342 2HB ASP 56 1HB ASP 56 -19.009 -6.407 -13.541 343 H ALA 57 H ALA 57 -21.184 -5.723 -14.569 344 HA ALA 57 HA ALA 57 -23.499 -5.058 -13.084 345 1HB ALA 57 1HB ALA 57 -22.932 -7.747 -14.322 346 2HB ALA 57 2HB ALA 57 -23.178 -6.311 -15.317 347 3HB ALA 57 3HB ALA 57 -24.470 -6.886 -14.262 348 H SER 58 H SER 58 -21.462 -7.962 -12.796 349 HA SER 58 HA SER 58 -22.710 -8.736 -10.274 350 1HB SER 58 2HB SER 58 -21.311 -10.632 -10.507 351 2HB SER 58 1HB SER 58 -21.625 -10.153 -12.171 352 HG SER 58 HG SER 58 -19.634 -9.072 -12.168 353 H GLY 59 H GLY 59 -20.692 -6.239 -10.984 354 1HA GLY 59 2HA GLY 59 -19.316 -4.886 -9.654 355 2HA GLY 59 1HA GLY 59 -19.870 -5.820 -8.264 356 H ALA 60 H ALA 60 -18.049 -6.842 -11.162 357 HA ALA 60 HA ALA 60 -15.895 -7.805 -9.306 358 1HB ALA 60 1HB ALA 60 -17.533 -9.083 -11.364 359 2HB ALA 60 2HB ALA 60 -16.546 -9.827 -10.104 360 3HB ALA 60 3HB ALA 60 -15.809 -9.339 -11.631 361 H ALA 61 H ALA 61 -13.707 -7.895 -10.368 362 HA ALA 61 HA ALA 61 -13.333 -6.360 -12.848 363 1HB ALA 61 1HB ALA 61 -13.650 -4.908 -10.616 364 2HB ALA 61 2HB ALA 61 -12.523 -4.422 -11.883 365 3HB ALA 61 3HB ALA 61 -11.930 -5.263 -10.452 366 H SER 62 H SER 62 -12.298 -8.469 -13.378 367 HA SER 62 HA SER 62 -9.646 -8.894 -12.031 368 1HB SER 62 2HB SER 62 -11.275 -10.777 -13.763 369 2HB SER 62 1HB SER 62 -9.891 -11.199 -12.760 370 HG SER 62 HG SER 62 -11.118 -11.101 -11.018 371 H PHE 63 H PHE 63 -7.916 -8.207 -13.244 372 HA PHE 63 HA PHE 63 -7.912 -8.651 -16.170 373 1HB PHE 63 2HB PHE 63 -7.448 -6.197 -16.539 374 2HB PHE 63 1HB PHE 63 -9.080 -6.540 -15.965 375 HD1 PHE 63 HD1 PHE 63 -9.593 -6.305 -13.496 376 HD2 PHE 63 HD2 PHE 63 -5.950 -4.868 -15.258 377 HE1 PHE 63 HE1 PHE 63 -9.205 -4.867 -11.514 378 HE2 PHE 63 HE2 PHE 63 -5.559 -3.429 -13.276 379 HZ PHE 63 HZ PHE 63 -7.186 -3.428 -11.404 380 H SER 64 H SER 64 -5.743 -7.572 -17.036 381 HA SER 64 HA SER 64 -3.569 -8.606 -15.308 382 1HB SER 64 2HB SER 64 -3.776 -7.665 -18.176 383 2HB SER 64 1HB SER 64 -2.274 -8.233 -17.455 384 HG SER 64 HG SER 64 -3.109 -10.233 -17.275 385 H PHE 65 H PHE 65 -1.740 -7.333 -14.746 386 HA PHE 65 HA PHE 65 -1.884 -4.384 -15.203 387 1HB PHE 65 2HB PHE 65 -3.041 -4.925 -13.089 388 2HB PHE 65 1HB PHE 65 -1.637 -5.841 -12.544 389 HD1 PHE 65 HD1 PHE 65 -2.364 -2.437 -13.968 390 HD2 PHE 65 HD2 PHE 65 -0.220 -4.760 -11.061 391 HE1 PHE 65 HE1 PHE 65 -1.362 -0.362 -13.046 392 HE2 PHE 65 HE2 PHE 65 0.781 -2.688 -10.140 393 HZ PHE 65 HZ PHE 65 0.212 -0.489 -11.134 394 H VAL 66 H VAL 66 0.332 -3.455 -14.121 395 HA VAL 66 HA VAL 66 2.519 -5.441 -14.630 396 HB VAL 66 HB VAL 66 2.694 -2.550 -15.455 397 1HG1 VAL 66 1HG1 VAL 66 3.940 -5.083 -16.564 398 2HG1 VAL 66 2HG1 VAL 66 4.720 -4.013 -15.397 399 3HG1 VAL 66 3HG1 VAL 66 4.345 -3.427 -17.018 400 1HG2 VAL 66 1HG2 VAL 66 1.493 -4.847 -17.041 401 2HG2 VAL 66 2HG2 VAL 66 1.955 -3.294 -17.738 402 3HG2 VAL 66 3HG2 VAL 66 0.664 -3.372 -16.541 403 H VAL 67 H VAL 67 4.504 -4.964 -13.503 404 HA VAL 67 HA VAL 67 4.331 -2.874 -11.369 405 HB VAL 67 HB VAL 67 5.201 -4.621 -9.788 406 1HG1 VAL 67 1HG1 VAL 67 3.061 -5.759 -9.502 407 2HG1 VAL 67 2HG1 VAL 67 2.604 -5.375 -11.161 408 3HG1 VAL 67 3HG1 VAL 67 2.771 -4.083 -9.971 409 1HG2 VAL 67 1HG2 VAL 67 5.342 -6.106 -12.294 410 2HG2 VAL 67 2HG2 VAL 67 4.423 -6.985 -11.075 411 3HG2 VAL 67 3HG2 VAL 67 6.077 -6.478 -10.736 412 H ARG 68 H ARG 68 6.540 -2.465 -10.405 413 HA ARG 68 HA ARG 68 8.787 -3.300 -12.187 414 1HB ARG 68 2HB ARG 68 7.519 -0.672 -11.893 415 2HB ARG 68 1HB ARG 68 9.265 -0.622 -11.644 416 1HG ARG 68 2HG ARG 68 9.395 -2.064 -13.801 417 2HG ARG 68 1HG ARG 68 7.740 -1.520 -14.082 418 1HD ARG 68 2HD ARG 68 8.611 0.869 -13.743 419 2HD ARG 68 1HD ARG 68 10.240 0.175 -13.873 420 HE ARG 68 HE ARG 68 9.660 -0.613 -16.129 421 1HH1 ARG 68 1HH2 ARG 68 8.607 2.371 -15.369 422 2HH1 ARG 68 2HH2 ARG 68 7.261 2.419 -16.459 423 1HH2 ARG 68 1HH1 ARG 68 7.393 -0.966 -17.192 424 2HH2 ARG 68 2HH1 ARG 68 6.573 0.529 -17.491 425 H LYS 69 H LYS 69 10.467 -3.983 -10.916 426 HA LYS 69 HA LYS 69 10.487 -3.974 -8.096 427 1HB LYS 69 2HB LYS 69 11.865 -5.443 -9.462 428 2HB LYS 69 1HB LYS 69 12.720 -4.060 -10.149 429 1HG LYS 69 2HG LYS 69 13.269 -3.511 -7.638 430 2HG LYS 69 1HG LYS 69 12.916 -5.221 -7.390 431 1HD LYS 69 2HD LYS 69 14.562 -5.792 -9.166 432 2HD LYS 69 1HD LYS 69 14.957 -4.078 -9.318 433 1HE LYS 69 2HE LYS 69 15.152 -4.549 -6.573 434 2HE LYS 69 1HE LYS 69 15.867 -5.997 -7.313 435 1HZ LYS 69 1HZ LYS 69 16.478 -3.312 -8.368 436 2HZ LYS 69 2HZ LYS 69 17.374 -4.747 -8.524 437 3HZ LYS 69 3HZ LYS 69 17.337 -3.920 -7.040 438 H SER 70 H SER 70 11.936 -1.663 -10.386 439 HA SER 70 HA SER 70 12.300 0.249 -8.105 440 1HB SER 70 2HB SER 70 14.395 0.938 -9.273 441 2HB SER 70 1HB SER 70 14.437 -0.753 -8.784 442 HG SER 70 HG SER 70 14.084 0.382 -11.343 443 H TYR 71 H TYR 71 11.428 2.273 -8.526 444 HA TYR 71 HA TYR 71 10.918 3.058 -11.358 445 1HB TYR 71 2HB TYR 71 8.575 3.431 -10.888 446 2HB TYR 71 1HB TYR 71 8.967 1.801 -10.339 447 HD1 TYR 71 HD1 TYR 71 8.595 5.327 -9.180 448 HD2 TYR 71 HD2 TYR 71 8.712 1.179 -8.065 449 HE1 TYR 71 HE1 TYR 71 7.876 5.924 -6.883 450 HE2 TYR 71 HE2 TYR 71 7.991 1.778 -5.766 451 HH TYR 71 HH TYR 71 6.734 4.812 -4.967 452 H THR 72 H THR 72 10.661 5.369 -11.615 453 HA THR 72 HA THR 72 12.103 6.979 -9.670 454 HB THR 72 HB THR 72 10.517 7.556 -12.187 455 HG1 THR 72 HG1 THR 72 12.316 6.829 -12.962 456 1HG2 THR 72 1HG2 THR 72 11.543 9.800 -12.135 457 2HG2 THR 72 2HG2 THR 72 12.264 9.432 -10.570 458 3HG2 THR 72 3HG2 THR 72 10.512 9.543 -10.726 459 H GLY 73 H GLY 73 11.206 7.938 -7.886 460 1HA GLY 73 2HA GLY 73 8.321 7.876 -7.465 461 2HA GLY 73 1HA GLY 73 9.512 8.560 -6.357 462 H SER 74 H SER 74 7.048 9.847 -7.009 463 HA SER 74 HA SER 74 8.055 12.465 -7.798 464 1HB SER 74 2HB SER 74 7.950 11.687 -10.012 465 2HB SER 74 1HB SER 74 6.537 10.686 -9.694 466 HG SER 74 HG SER 74 6.637 13.179 -10.612 467 H THR 75 H THR 75 6.800 13.899 -6.663 468 HA THR 75 HA THR 75 4.512 13.106 -5.148 469 HB THR 75 HB THR 75 4.332 15.559 -4.772 470 HG1 THR 75 HG1 THR 75 4.954 16.749 -6.364 471 1HG2 THR 75 1HG2 THR 75 6.504 15.835 -3.757 472 2HG2 THR 75 2HG2 THR 75 7.210 14.632 -4.836 473 3HG2 THR 75 3HG2 THR 75 6.045 14.139 -3.607 474 HA PRO 76 HA PRO 76 1.263 13.597 -8.045 475 1HB PRO 76 2HB PRO 76 -0.791 14.272 -6.383 476 2HB PRO 76 1HB PRO 76 -0.094 12.642 -6.443 477 1HG PRO 76 2HG PRO 76 0.277 14.781 -4.428 478 2HG PRO 76 1HG PRO 76 0.294 13.023 -4.229 479 1HD PRO 76 2HD PRO 76 2.546 14.665 -4.340 480 2HD PRO 76 1HD PRO 76 2.533 12.903 -4.565 481 H GLU 77 H GLU 77 2.832 16.176 -6.936 482 HA GLU 77 HA GLU 77 0.793 18.175 -7.794 483 1HB GLU 77 2HB GLU 77 1.836 18.232 -5.479 484 2HB GLU 77 1HB GLU 77 3.371 18.595 -6.268 485 1HG GLU 77 2HG GLU 77 2.699 20.708 -6.921 486 2HG GLU 77 1HG GLU 77 0.997 20.253 -7.004 487 H GLY 78 H GLY 78 3.884 16.767 -8.547 488 1HA GLY 78 2HA GLY 78 4.608 17.036 -10.932 489 2HA GLY 78 1HA GLY 78 4.194 18.744 -10.774 490 H THR 79 H THR 79 5.654 17.288 -8.016 491 HA THR 79 HA THR 79 8.211 18.715 -8.656 492 HB THR 79 HB THR 79 6.817 18.032 -6.052 493 HG1 THR 79 HG1 THR 79 6.036 19.958 -6.244 494 1HG2 THR 79 1HG2 THR 79 9.147 19.873 -6.131 495 2HG2 THR 79 2HG2 THR 79 9.496 18.153 -6.308 496 3HG2 THR 79 3HG2 THR 79 8.650 18.739 -4.876 497 HA PRO 80 HA PRO 80 9.817 14.544 -8.648 498 1HB PRO 80 2HB PRO 80 12.383 15.220 -9.304 499 2HB PRO 80 1HB PRO 80 11.068 15.141 -10.495 500 1HG PRO 80 2HG PRO 80 12.275 17.515 -9.166 501 2HG PRO 80 1HG PRO 80 11.696 17.322 -10.828 502 1HD PRO 80 2HD PRO 80 10.279 18.600 -8.860 503 2HD PRO 80 1HD PRO 80 9.533 17.816 -10.270 504 H VAL 81 H VAL 81 12.250 13.824 -7.718 505 HA VAL 81 HA VAL 81 13.158 15.238 -5.369 506 HB VAL 81 HB VAL 81 10.944 14.573 -4.579 507 1HG1 VAL 81 1HG1 VAL 81 10.598 12.704 -6.146 508 2HG1 VAL 81 2HG1 VAL 81 10.328 12.181 -4.484 509 3HG1 VAL 81 3HG1 VAL 81 11.832 11.765 -5.306 510 1HG2 VAL 81 1HG2 VAL 81 11.891 12.707 -2.851 511 2HG2 VAL 81 2HG2 VAL 81 12.243 14.430 -2.696 512 3HG2 VAL 81 3HG2 VAL 81 13.413 13.356 -3.463 513 H GLY 82 H GLY 82 12.794 12.107 -6.991 514 1HA GLY 82 2HA GLY 82 15.420 11.494 -7.464 515 2HA GLY 82 1HA GLY 82 15.221 11.023 -5.775 516 H SER 83 H SER 83 15.816 8.923 -7.197 517 HA SER 83 HA SER 83 13.443 7.678 -8.426 518 1HB SER 83 2HB SER 83 16.349 7.265 -8.239 519 2HB SER 83 1HB SER 83 15.420 5.769 -8.218 520 HG SER 83 HG SER 83 16.046 6.783 -10.341 521 H VAL 84 H VAL 84 12.994 5.320 -7.655 522 HA VAL 84 HA VAL 84 13.207 5.124 -4.671 523 HB VAL 84 HB VAL 84 10.781 4.758 -6.459 524 1HG1 VAL 84 1HG1 VAL 84 10.795 3.054 -4.698 525 2HG1 VAL 84 2HG1 VAL 84 9.581 4.279 -4.327 526 3HG1 VAL 84 3HG1 VAL 84 11.128 4.286 -3.481 527 1HG2 VAL 84 1HG2 VAL 84 10.320 6.501 -4.267 528 2HG2 VAL 84 2HG2 VAL 84 10.419 6.930 -5.975 529 3HG2 VAL 84 3HG2 VAL 84 11.867 6.978 -4.970 530 H ASP 85 H ASP 85 13.411 2.975 -3.910 531 HA ASP 85 HA ASP 85 13.414 0.808 -5.979 532 1HB ASP 85 2HB ASP 85 15.681 1.916 -5.245 533 2HB ASP 85 1HB ASP 85 15.459 0.965 -3.776 534 H CYS 86 H CYS 86 12.138 -0.861 -5.293 535 HA CYS 86 HA CYS 86 11.201 -0.946 -2.502 536 1HB CYS 86 2HB CYS 86 10.639 -2.619 -4.969 537 2HB CYS 86 1HB CYS 86 9.751 -2.738 -3.450 538 H ALA 87 H ALA 87 14.027 -1.834 -3.703 539 HA ALA 87 HA ALA 87 14.330 -4.628 -3.200 540 1HB ALA 87 1HB ALA 87 15.921 -3.178 -4.413 541 2HB ALA 87 2HB ALA 87 16.727 -4.011 -3.085 542 3HB ALA 87 3HB ALA 87 16.274 -2.315 -2.917 543 H THR 88 H THR 88 15.278 -1.881 -1.096 544 HA THR 88 HA THR 88 15.058 -3.721 1.257 545 HB THR 88 HB THR 88 17.270 -2.735 0.772 546 HG1 THR 88 HG1 THR 88 17.528 -1.706 2.816 547 1HG2 THR 88 1HG2 THR 88 17.288 -0.689 -0.166 548 2HG2 THR 88 2HG2 THR 88 16.945 -0.039 1.437 549 3HG2 THR 88 3HG2 THR 88 15.621 -0.385 0.325 550 H ALA 89 H ALA 89 13.137 -1.638 -0.288 551 HA ALA 89 HA ALA 89 12.223 -0.185 2.150 552 1HB ALA 89 1HB ALA 89 12.697 0.543 -0.529 553 2HB ALA 89 2HB ALA 89 11.944 1.539 0.716 554 3HB ALA 89 3HB ALA 89 10.944 0.546 -0.344 555 H ALA 90 H ALA 90 9.678 0.170 1.970 556 HA ALA 90 HA ALA 90 8.456 -2.524 1.476 557 1HB ALA 90 1HB ALA 90 8.629 -0.921 3.748 558 2HB ALA 90 2HB ALA 90 7.542 -2.291 3.527 559 3HB ALA 90 3HB ALA 90 6.987 -0.657 3.162 560 H CYS 91 H CYS 91 7.749 -2.130 -0.690 561 HA CYS 91 HA CYS 91 6.132 0.290 -1.194 562 1HB CYS 91 2HB CYS 91 7.065 -2.027 -2.916 563 2HB CYS 91 1HB CYS 91 6.185 -0.627 -3.531 564 H ASN 92 H ASN 92 3.894 0.235 -1.414 565 HA ASN 92 HA ASN 92 2.568 -2.454 -1.274 566 1HB ASN 92 2HB ASN 92 0.929 -1.340 0.259 567 2HB ASN 92 1HB ASN 92 2.566 -1.373 0.917 568 1HD2 ASN 92 1HD2 ASN 92 3.879 0.687 0.613 569 2HD2 ASN 92 2HD2 ASN 92 3.052 2.169 0.558 570 H LEU 93 H LEU 93 0.559 -2.590 -2.397 571 HA LEU 93 HA LEU 93 -0.094 -0.237 -4.142 572 1HB LEU 93 2HB LEU 93 0.948 -1.882 -5.510 573 2HB LEU 93 1HB LEU 93 0.111 -3.200 -4.691 574 HG LEU 93 HG LEU 93 -1.829 -1.356 -5.754 575 1HD1 LEU 93 1HD1 LEU 93 -1.073 -2.258 -8.209 576 2HD1 LEU 93 2HD1 LEU 93 0.505 -1.974 -7.473 577 3HD1 LEU 93 3HD1 LEU 93 -0.663 -0.657 -7.591 578 1HD2 LEU 93 1HD2 LEU 93 -2.528 -3.443 -6.971 579 2HD2 LEU 93 2HD2 LEU 93 -2.309 -3.682 -5.238 580 3HD2 LEU 93 3HD2 LEU 93 -1.070 -4.229 -6.367 581 H GLY 94 H GLY 94 -2.141 0.487 -3.719 582 1HA GLY 94 2HA GLY 94 -4.206 -1.536 -2.973 583 2HA GLY 94 1HA GLY 94 -4.022 -0.082 -1.991 584 H ALA 95 H ALA 95 -6.455 -0.335 -3.006 585 HA ALA 95 HA ALA 95 -6.493 1.609 -5.290 586 1HB ALA 95 1HB ALA 95 -7.932 0.232 -6.474 587 2HB ALA 95 2HB ALA 95 -8.604 -0.490 -5.013 588 3HB ALA 95 3HB ALA 95 -7.019 -0.997 -5.598 589 H GLY 96 H GLY 96 -8.787 2.619 -5.436 590 1HA GLY 96 2HA GLY 96 -10.870 2.758 -3.811 591 2HA GLY 96 1HA GLY 96 -9.641 3.325 -2.678 592 H ASN 97 H ASN 97 -11.758 4.996 -3.380 593 HA ASN 97 HA ASN 97 -10.353 7.068 -5.003 594 1HB ASN 97 2HB ASN 97 -12.901 7.656 -5.572 595 2HB ASN 97 1HB ASN 97 -12.018 6.442 -6.491 596 1HD2 ASN 97 1HD2 ASN 97 -13.417 6.104 -3.178 597 2HD2 ASN 97 2HD2 ASN 97 -14.460 4.836 -3.589 598 H SER 98 H SER 98 -13.497 7.859 -3.837 599 HA SER 98 HA SER 98 -12.550 10.016 -2.202 600 1HB SER 98 2HB SER 98 -15.031 8.818 -3.107 601 2HB SER 98 1HB SER 98 -15.167 9.363 -1.438 602 HG SER 98 HG SER 98 -14.024 11.330 -2.396 603 H GLY 99 H GLY 99 -14.775 7.643 -0.834 604 1HA GLY 99 2HA GLY 99 -12.817 7.146 1.368 605 2HA GLY 99 1HA GLY 99 -14.487 7.576 1.733 606 H LEU 100 H LEU 100 -12.997 5.311 -0.605 607 HA LEU 100 HA LEU 100 -14.855 3.206 0.443 608 1HB LEU 100 2HB LEU 100 -15.035 4.153 -1.944 609 2HB LEU 100 1HB LEU 100 -13.523 3.302 -2.263 610 HG LEU 100 HG LEU 100 -15.594 1.690 -0.903 611 1HD1 LEU 100 1HD1 LEU 100 -16.183 1.598 -3.705 612 2HD1 LEU 100 2HD1 LEU 100 -16.327 3.270 -3.162 613 3HD1 LEU 100 3HD1 LEU 100 -17.266 2.004 -2.373 614 1HD2 LEU 100 1HD2 LEU 100 -13.217 1.268 -2.278 615 2HD2 LEU 100 2HD2 LEU 100 -14.447 0.772 -3.441 616 3HD2 LEU 100 3HD2 LEU 100 -14.386 0.020 -1.847 617 H ASP 101 H ASP 101 -11.729 3.441 -1.270 618 HA ASP 101 HA ASP 101 -9.772 2.129 -1.047 619 1HB ASP 101 2HB ASP 101 -10.245 3.431 1.206 620 2HB ASP 101 1HB ASP 101 -10.542 1.811 1.835 621 H LEU 102 H LEU 102 -10.203 0.180 -2.132 622 HA LEU 102 HA LEU 102 -11.964 -1.870 -1.073 623 1HB LEU 102 2HB LEU 102 -9.923 -1.640 -3.280 624 2HB LEU 102 1HB LEU 102 -10.732 -3.172 -2.947 625 HG LEU 102 HG LEU 102 -12.726 -1.135 -2.974 626 1HD1 LEU 102 1HD1 LEU 102 -12.186 0.265 -4.656 627 2HD1 LEU 102 2HD1 LEU 102 -11.757 -1.085 -5.707 628 3HD1 LEU 102 3HD1 LEU 102 -10.556 -0.405 -4.609 629 1HD2 LEU 102 1HD2 LEU 102 -12.592 -2.786 -5.368 630 2HD2 LEU 102 2HD2 LEU 102 -13.779 -2.811 -4.063 631 3HD2 LEU 102 3HD2 LEU 102 -12.286 -3.740 -3.917 632 H GLY 103 H GLY 103 -8.470 -2.104 -1.764 633 1HA GLY 103 2HA GLY 103 -7.889 -3.115 0.910 634 2HA GLY 103 1HA GLY 103 -7.842 -4.365 -0.332 635 H HIS 104 H HIS 104 -5.496 -4.105 0.775 636 HA HIS 104 HA HIS 104 -3.857 -2.678 -1.256 637 1HB HIS 104 2HB HIS 104 -2.491 -1.790 0.741 638 2HB HIS 104 1HB HIS 104 -4.056 -1.028 0.455 639 HD1 HIS 104 HD1 HIS 104 -2.229 -3.227 2.856 640 HD2 HIS 104 HD2 HIS 104 -6.091 -1.745 2.354 641 HE1 HIS 104 HE1 HIS 104 -3.461 -3.686 5.023 642 H VAL 105 H VAL 105 -2.507 -4.282 -1.984 643 HA VAL 105 HA VAL 105 -1.745 -6.498 -0.160 644 HB VAL 105 HB VAL 105 -1.597 -5.962 -3.132 645 1HG1 VAL 105 1HG1 VAL 105 0.438 -7.155 -2.582 646 2HG1 VAL 105 2HG1 VAL 105 -0.692 -8.308 -3.294 647 3HG1 VAL 105 3HG1 VAL 105 -0.446 -8.277 -1.548 648 1HG2 VAL 105 1HG2 VAL 105 -3.112 -7.876 -1.340 649 2HG2 VAL 105 2HG2 VAL 105 -3.000 -8.109 -3.084 650 3HG2 VAL 105 3HG2 VAL 105 -3.774 -6.663 -2.436 651 H ALA 106 H ALA 106 0.348 -6.723 0.608 652 HA ALA 106 HA ALA 106 2.239 -4.513 0.176 653 1HB ALA 106 1HB ALA 106 3.295 -6.749 1.648 654 2HB ALA 106 2HB ALA 106 1.627 -6.466 2.146 655 3HB ALA 106 3HB ALA 106 2.814 -5.167 2.258 656 H LEU 107 H LEU 107 3.618 -4.557 -1.554 657 HA LEU 107 HA LEU 107 4.222 -7.110 -2.916 658 1HB LEU 107 2HB LEU 107 4.932 -4.208 -3.450 659 2HB LEU 107 1HB LEU 107 5.280 -5.544 -4.550 660 HG LEU 107 HG LEU 107 2.482 -4.991 -3.553 661 1HD1 LEU 107 1HD1 LEU 107 3.679 -3.045 -4.838 662 2HD1 LEU 107 2HD1 LEU 107 2.067 -3.545 -5.349 663 3HD1 LEU 107 3HD1 LEU 107 3.484 -4.091 -6.244 664 1HD2 LEU 107 1HD2 LEU 107 3.559 -7.132 -4.887 665 2HD2 LEU 107 2HD2 LEU 107 3.018 -6.126 -6.231 666 3HD2 LEU 107 3HD2 LEU 107 1.867 -6.645 -4.999 667 H THR 108 H THR 108 6.168 -8.169 -2.709 668 HA THR 108 HA THR 108 8.286 -6.845 -1.053 669 HB THR 108 HB THR 108 7.879 -9.798 -1.582 670 HG1 THR 108 HG1 THR 108 6.591 -9.851 0.195 671 1HG2 THR 108 1HG2 THR 108 10.041 -9.237 -0.654 672 2HG2 THR 108 2HG2 THR 108 9.060 -9.941 0.632 673 3HG2 THR 108 3HG2 THR 108 9.298 -8.195 0.561 674 H PHE 109 H PHE 109 10.549 -7.569 -1.655 675 HA PHE 109 HA PHE 109 10.903 -8.480 -4.452 676 1HB PHE 109 2HB PHE 109 11.137 -5.711 -3.438 677 2HB PHE 109 1HB PHE 109 12.499 -6.253 -4.418 678 HD1 PHE 109 HD1 PHE 109 11.967 -7.371 -6.686 679 HD2 PHE 109 HD2 PHE 109 9.123 -5.043 -4.463 680 HE1 PHE 109 HE1 PHE 109 10.619 -7.054 -8.743 681 HE2 PHE 109 HE2 PHE 109 7.775 -4.729 -6.520 682 HZ PHE 109 HZ PHE 109 8.522 -5.733 -8.659 683 H GLY 110 H GLY 110 11.805 -10.188 -2.835 684 1HA GLY 110 2HA GLY 110 13.983 -11.227 -2.552 685 2HA GLY 110 1HA GLY 110 14.699 -9.617 -2.452 Start of MODEL 4 1 1H ALA 1 1H ALA 1 -19.856 -7.346 2.062 2 2H ALA 1 2H ALA 1 -19.631 -8.980 1.654 3 3H ALA 1 3H ALA 1 -19.752 -7.808 0.430 4 HA ALA 1 HA ALA 1 -17.684 -6.790 1.693 5 1HB ALA 1 1HB ALA 1 -17.961 -9.697 2.443 6 2HB ALA 1 2HB ALA 1 -17.612 -8.321 3.490 7 3HB ALA 1 3HB ALA 1 -16.372 -8.933 2.395 8 HA PRO 2 HA PRO 2 -16.818 -7.914 -2.567 9 1HB PRO 2 2HB PRO 2 -14.962 -5.942 -2.985 10 2HB PRO 2 1HB PRO 2 -16.720 -5.656 -3.065 11 1HG PRO 2 2HG PRO 2 -14.798 -5.084 -0.850 12 2HG PRO 2 1HG PRO 2 -16.178 -4.132 -1.424 13 1HD PRO 2 2HD PRO 2 -16.265 -5.688 0.815 14 2HD PRO 2 1HD PRO 2 -17.691 -5.334 -0.185 15 H ALA 3 H ALA 3 -14.160 -7.589 -3.544 16 HA ALA 3 HA ALA 3 -12.397 -8.997 -1.604 17 1HB ALA 3 1HB ALA 3 -12.145 -10.908 -3.045 18 2HB ALA 3 2HB ALA 3 -13.040 -10.118 -4.342 19 3HB ALA 3 3HB ALA 3 -13.877 -10.625 -2.875 20 H PHE 4 H PHE 4 -10.178 -8.813 -2.126 21 HA PHE 4 HA PHE 4 -9.365 -7.510 -4.669 22 1HB PHE 4 2HB PHE 4 -9.978 -5.678 -3.135 23 2HB PHE 4 1HB PHE 4 -8.910 -6.346 -1.901 24 HD1 PHE 4 HD1 PHE 4 -7.063 -4.921 -1.654 25 HD2 PHE 4 HD2 PHE 4 -8.480 -5.874 -5.597 26 HE1 PHE 4 HE1 PHE 4 -5.152 -3.684 -2.646 27 HE2 PHE 4 HE2 PHE 4 -6.571 -4.637 -6.585 28 HZ PHE 4 HZ PHE 4 -4.908 -3.545 -5.109 29 H SER 5 H SER 5 -7.939 -9.221 -5.190 30 HA SER 5 HA SER 5 -5.625 -9.558 -3.329 31 1HB SER 5 2HB SER 5 -6.129 -12.119 -4.240 32 2HB SER 5 1HB SER 5 -6.582 -11.500 -2.655 33 HG SER 5 HG SER 5 -8.123 -11.989 -4.908 34 H VAL 6 H VAL 6 -3.732 -10.483 -4.400 35 HA VAL 6 HA VAL 6 -3.835 -10.326 -7.397 36 HB VAL 6 HB VAL 6 -2.797 -8.374 -6.065 37 1HG1 VAL 6 1HG1 VAL 6 -1.637 -10.153 -4.523 38 2HG1 VAL 6 2HG1 VAL 6 -0.769 -8.676 -4.946 39 3HG1 VAL 6 3HG1 VAL 6 -0.412 -10.182 -5.791 40 1HG2 VAL 6 1HG2 VAL 6 -2.329 -9.111 -8.514 41 2HG2 VAL 6 2HG2 VAL 6 -0.806 -9.736 -7.880 42 3HG2 VAL 6 3HG2 VAL 6 -1.179 -8.017 -7.748 43 H SER 7 H SER 7 -2.773 -12.034 -8.452 44 HA SER 7 HA SER 7 -2.153 -14.428 -7.019 45 1HB SER 7 2HB SER 7 -1.948 -13.358 -9.769 46 2HB SER 7 1HB SER 7 -0.882 -14.712 -9.408 47 HG SER 7 HG SER 7 -2.731 -15.688 -9.959 48 HA PRO 8 HA PRO 8 2.466 -13.519 -7.486 49 1HB PRO 8 2HB PRO 8 3.330 -11.359 -8.909 50 2HB PRO 8 1HB PRO 8 2.968 -12.925 -9.663 51 1HG PRO 8 2HG PRO 8 1.343 -10.439 -9.600 52 2HG PRO 8 1HG PRO 8 1.523 -11.639 -10.888 53 1HD PRO 8 2HD PRO 8 -0.646 -11.490 -9.193 54 2HD PRO 8 1HD PRO 8 -0.138 -12.952 -10.065 55 H ALA 9 H ALA 9 1.538 -12.767 -5.256 56 HA ALA 9 HA ALA 9 1.752 -9.862 -4.742 57 1HB ALA 9 1HB ALA 9 0.791 -10.443 -2.626 58 2HB ALA 9 2HB ALA 9 1.295 -12.127 -2.783 59 3HB ALA 9 3HB ALA 9 0.006 -11.491 -3.808 60 H SER 10 H SER 10 3.934 -12.358 -4.996 61 HA SER 10 HA SER 10 5.934 -10.902 -3.360 62 1HB SER 10 2HB SER 10 5.026 -12.440 -1.765 63 2HB SER 10 1HB SER 10 4.993 -13.750 -2.942 64 HG SER 10 HG SER 10 6.893 -14.199 -2.161 65 H GLY 11 H GLY 11 8.100 -11.364 -4.053 66 1HA GLY 11 2HA GLY 11 9.765 -12.037 -5.566 67 2HA GLY 11 1HA GLY 11 8.780 -13.468 -5.877 68 H LEU 12 H LEU 12 8.553 -9.952 -6.532 69 HA LEU 12 HA LEU 12 7.386 -10.599 -9.203 70 1HB LEU 12 2HB LEU 12 7.511 -8.118 -7.463 71 2HB LEU 12 1HB LEU 12 6.813 -8.128 -9.082 72 HG LEU 12 HG LEU 12 5.855 -10.264 -7.262 73 1HD1 LEU 12 1HD1 LEU 12 4.153 -8.377 -6.447 74 2HD1 LEU 12 2HD1 LEU 12 5.558 -7.342 -6.690 75 3HD1 LEU 12 3HD1 LEU 12 5.647 -8.700 -5.568 76 1HD2 LEU 12 1HD2 LEU 12 4.764 -8.418 -9.376 77 2HD2 LEU 12 2HD2 LEU 12 3.661 -9.272 -8.300 78 3HD2 LEU 12 3HD2 LEU 12 4.760 -10.181 -9.337 79 H SER 13 H SER 13 8.282 -9.537 -11.102 80 HA SER 13 HA SER 13 11.151 -8.781 -10.786 81 1HB SER 13 2HB SER 13 9.540 -9.895 -13.090 82 2HB SER 13 1HB SER 13 11.243 -9.466 -13.201 83 HG SER 13 HG SER 13 10.074 -11.351 -11.418 84 H ASP 14 H ASP 14 11.925 -6.954 -12.078 85 HA ASP 14 HA ASP 14 10.169 -4.695 -12.117 86 1HB ASP 14 2HB ASP 14 12.597 -4.553 -11.884 87 2HB ASP 14 1HB ASP 14 12.809 -5.246 -13.492 88 H GLY 15 H GLY 15 8.687 -4.096 -13.630 89 1HA GLY 15 2HA GLY 15 7.848 -3.721 -15.831 90 2HA GLY 15 1HA GLY 15 9.087 -4.804 -16.454 91 H GLN 16 H GLN 16 8.457 -6.895 -14.468 92 HA GLN 16 HA GLN 16 6.773 -8.581 -15.893 93 1HB GLN 16 2HB GLN 16 8.027 -9.444 -14.081 94 2HB GLN 16 1HB GLN 16 7.391 -8.241 -12.963 95 1HG GLN 16 2HG GLN 16 6.299 -10.325 -12.454 96 2HG GLN 16 1HG GLN 16 5.112 -9.298 -13.257 97 1HE2 GLN 16 1HE2 GLN 16 5.137 -12.266 -13.203 98 2HE2 GLN 16 2HE2 GLN 16 5.242 -12.767 -14.821 99 H SER 17 H SER 17 4.539 -8.967 -15.929 100 HA SER 17 HA SER 17 2.839 -6.737 -14.943 101 1HB SER 17 2HB SER 17 1.692 -8.920 -16.558 102 2HB SER 17 1HB SER 17 1.604 -7.181 -16.811 103 HG SER 17 HG SER 17 3.555 -7.227 -17.805 104 H VAL 18 H VAL 18 1.416 -7.083 -13.254 105 HA VAL 18 HA VAL 18 1.351 -9.793 -12.036 106 HB VAL 18 HB VAL 18 0.346 -8.456 -10.132 107 1HG1 VAL 18 1HG1 VAL 18 2.807 -8.923 -10.397 108 2HG1 VAL 18 2HG1 VAL 18 2.451 -7.448 -9.499 109 3HG1 VAL 18 3HG1 VAL 18 2.964 -7.353 -11.185 110 1HG2 VAL 18 1HG2 VAL 18 -0.045 -6.576 -12.181 111 2HG2 VAL 18 2HG2 VAL 18 1.244 -5.895 -11.189 112 3HG2 VAL 18 3HG2 VAL 18 -0.304 -6.314 -10.457 113 H SER 19 H SER 19 -0.890 -10.325 -11.027 114 HA SER 19 HA SER 19 -3.042 -9.581 -12.973 115 1HB SER 19 2HB SER 19 -2.120 -12.182 -11.825 116 2HB SER 19 1HB SER 19 -3.820 -11.999 -12.242 117 HG SER 19 HG SER 19 -3.177 -11.447 -14.344 118 H VAL 20 H VAL 20 -4.470 -8.354 -11.890 119 HA VAL 20 HA VAL 20 -4.897 -8.842 -8.985 120 HB VAL 20 HB VAL 20 -5.329 -6.560 -10.907 121 1HG1 VAL 20 1HG1 VAL 20 -6.495 -5.331 -9.158 122 2HG1 VAL 20 2HG1 VAL 20 -6.350 -6.697 -8.054 123 3HG1 VAL 20 3HG1 VAL 20 -7.375 -6.824 -9.483 124 1HG2 VAL 20 1HG2 VAL 20 -3.800 -7.011 -8.336 125 2HG2 VAL 20 2HG2 VAL 20 -4.041 -5.405 -9.024 126 3HG2 VAL 20 3HG2 VAL 20 -3.150 -6.628 -9.929 127 H SER 21 H SER 21 -7.050 -9.112 -8.204 128 HA SER 21 HA SER 21 -9.172 -9.521 -10.264 129 1HB SER 21 2HB SER 21 -9.578 -11.665 -8.673 130 2HB SER 21 1HB SER 21 -8.547 -11.728 -10.100 131 HG SER 21 HG SER 21 -7.903 -11.735 -7.402 132 H VAL 22 H VAL 22 -11.134 -8.805 -9.540 133 HA VAL 22 HA VAL 22 -11.452 -8.253 -6.608 134 HB VAL 22 HB VAL 22 -12.372 -6.651 -9.019 135 1HG1 VAL 22 1HG1 VAL 22 -12.672 -6.232 -6.035 136 2HG1 VAL 22 2HG1 VAL 22 -13.956 -6.360 -7.236 137 3HG1 VAL 22 3HG1 VAL 22 -12.906 -4.944 -7.216 138 1HG2 VAL 22 1HG2 VAL 22 -10.070 -6.404 -7.091 139 2HG2 VAL 22 2HG2 VAL 22 -10.750 -4.964 -7.849 140 3HG2 VAL 22 3HG2 VAL 22 -10.064 -6.246 -8.847 141 H SER 23 H SER 23 -13.413 -8.976 -5.752 142 HA SER 23 HA SER 23 -15.549 -9.815 -7.663 143 1HB SER 23 2HB SER 23 -14.158 -11.456 -5.544 144 2HB SER 23 1HB SER 23 -15.707 -11.931 -6.238 145 HG SER 23 HG SER 23 -14.454 -12.804 -7.700 146 H GLY 24 H GLY 24 -17.491 -9.059 -6.966 147 1HA GLY 24 2HA GLY 24 -19.038 -9.171 -4.913 148 2HA GLY 24 1HA GLY 24 -17.746 -8.300 -4.095 149 H ALA 25 H ALA 25 -16.982 -6.425 -5.955 150 HA ALA 25 HA ALA 25 -18.929 -4.386 -5.687 151 1HB ALA 25 1HB ALA 25 -17.468 -3.164 -7.188 152 2HB ALA 25 2HB ALA 25 -16.820 -4.668 -7.847 153 3HB ALA 25 3HB ALA 25 -16.457 -4.204 -6.185 154 H ALA 26 H ALA 26 -19.205 -3.346 -8.400 155 HA ALA 26 HA ALA 26 -20.373 -5.363 -10.141 156 1HB ALA 26 1HB ALA 26 -22.637 -5.130 -9.619 157 2HB ALA 26 2HB ALA 26 -22.394 -3.555 -8.865 158 3HB ALA 26 3HB ALA 26 -21.888 -5.023 -8.026 159 H ALA 27 H ALA 27 -21.042 -4.538 -12.141 160 HA ALA 27 HA ALA 27 -19.830 -2.370 -13.295 161 1HB ALA 27 1HB ALA 27 -21.890 -2.360 -14.815 162 2HB ALA 27 2HB ALA 27 -22.588 -3.542 -13.707 163 3HB ALA 27 3HB ALA 27 -21.111 -3.926 -14.589 164 H GLY 28 H GLY 28 -20.158 -0.168 -13.393 165 1HA GLY 28 2HA GLY 28 -21.535 1.832 -13.160 166 2HA GLY 28 1HA GLY 28 -22.484 0.974 -11.947 167 H GLU 29 H GLU 29 -19.181 0.348 -11.600 168 HA GLU 29 HA GLU 29 -18.831 2.590 -9.650 169 1HB GLU 29 2HB GLU 29 -18.677 -0.398 -9.239 170 2HB GLU 29 1HB GLU 29 -17.812 0.709 -8.173 171 1HG GLU 29 2HG GLU 29 -20.597 1.499 -8.645 172 2HG GLU 29 1HG GLU 29 -20.441 -0.070 -7.855 173 H THR 30 H THR 30 -16.785 3.456 -9.793 174 HA THR 30 HA THR 30 -14.783 1.950 -11.437 175 HB THR 30 HB THR 30 -15.205 4.908 -10.890 176 HG1 THR 30 HG1 THR 30 -15.360 3.454 -13.313 177 1HG2 THR 30 1HG2 THR 30 -12.841 4.536 -11.122 178 2HG2 THR 30 2HG2 THR 30 -13.420 5.166 -12.665 179 3HG2 THR 30 3HG2 THR 30 -13.091 3.443 -12.484 180 H TYR 31 H TYR 31 -12.585 1.967 -10.677 181 HA TYR 31 HA TYR 31 -12.197 2.880 -7.857 182 1HB TYR 31 2HB TYR 31 -11.308 0.230 -9.034 183 2HB TYR 31 1HB TYR 31 -11.197 0.730 -7.344 184 HD1 TYR 31 HD1 TYR 31 -13.651 0.149 -10.098 185 HD2 TYR 31 HD2 TYR 31 -12.984 0.345 -5.861 186 HE1 TYR 31 HE1 TYR 31 -15.951 -0.678 -9.698 187 HE2 TYR 31 HE2 TYR 31 -15.286 -0.485 -5.461 188 HH TYR 31 HH TYR 31 -17.394 -0.654 -6.553 189 H TYR 32 H TYR 32 -9.900 3.189 -7.333 190 HA TYR 32 HA TYR 32 -8.236 3.671 -9.781 191 1HB TYR 32 2HB TYR 32 -8.014 5.142 -7.148 192 2HB TYR 32 1HB TYR 32 -7.496 5.677 -8.749 193 HD1 TYR 32 HD1 TYR 32 -9.697 5.292 -10.505 194 HD2 TYR 32 HD2 TYR 32 -9.788 6.455 -6.372 195 HE1 TYR 32 HE1 TYR 32 -11.906 6.361 -10.856 196 HE2 TYR 32 HE2 TYR 32 -11.997 7.528 -6.723 197 HH TYR 32 HH TYR 32 -13.244 8.537 -8.786 198 H ILE 33 H ILE 33 -6.821 1.937 -9.797 199 HA ILE 33 HA ILE 33 -5.664 0.985 -7.230 200 HB ILE 33 HB ILE 33 -6.579 -0.634 -8.855 201 1HG1 ILE 33 2HG1 ILE 33 -3.594 -0.950 -9.027 202 2HG1 ILE 33 1HG1 ILE 33 -4.389 -0.997 -7.452 203 1HG2 ILE 33 1HG2 ILE 33 -6.190 0.647 -10.920 204 2HG2 ILE 33 2HG2 ILE 33 -5.435 -0.938 -11.040 205 3HG2 ILE 33 3HG2 ILE 33 -4.449 0.483 -10.711 206 1HD1 ILE 33 1HD1 ILE 33 -5.431 -2.988 -7.884 207 2HD1 ILE 33 2HD1 ILE 33 -4.085 -3.190 -9.004 208 3HD1 ILE 33 3HD1 ILE 33 -5.646 -2.621 -9.595 209 H ALA 34 H ALA 34 -3.691 1.722 -6.590 210 HA ALA 34 HA ALA 34 -1.764 2.628 -8.698 211 1HB ALA 34 1HB ALA 34 -2.918 4.089 -6.343 212 2HB ALA 34 2HB ALA 34 -2.657 4.666 -7.989 213 3HB ALA 34 3HB ALA 34 -1.290 4.486 -6.891 214 H GLN 35 H GLN 35 0.424 2.323 -8.145 215 HA GLN 35 HA GLN 35 0.920 0.743 -5.643 216 1HB GLN 35 2HB GLN 35 1.098 -0.343 -7.952 217 2HB GLN 35 1HB GLN 35 2.483 0.712 -8.238 218 1HG GLN 35 2HG GLN 35 2.991 -0.370 -5.725 219 2HG GLN 35 1HG GLN 35 2.311 -1.720 -6.634 220 1HE2 GLN 35 1HE2 GLN 35 5.216 -0.905 -5.810 221 2HE2 GLN 35 2HE2 GLN 35 6.088 -1.084 -7.253 222 H CYS 36 H CYS 36 2.281 1.760 -4.198 223 HA CYS 36 HA CYS 36 4.355 3.629 -5.250 224 1HB CYS 36 2HB CYS 36 2.240 4.243 -3.168 225 2HB CYS 36 1HB CYS 36 3.588 5.304 -3.563 226 H ALA 37 H ALA 37 5.792 4.358 -3.337 227 HA ALA 37 HA ALA 37 5.908 2.444 -1.075 228 1HB ALA 37 1HB ALA 37 7.114 1.284 -2.810 229 2HB ALA 37 2HB ALA 37 8.321 1.964 -1.719 230 3HB ALA 37 3HB ALA 37 7.985 2.750 -3.260 231 HA PRO 38 HA PRO 38 7.496 5.989 0.960 232 1HB PRO 38 2HB PRO 38 9.222 4.891 2.776 233 2HB PRO 38 1HB PRO 38 7.458 4.805 2.930 234 1HG PRO 38 2HG PRO 38 9.372 2.743 1.951 235 2HG PRO 38 1HG PRO 38 7.926 2.553 2.957 236 1HD PRO 38 2HD PRO 38 7.971 1.984 0.289 237 2HD PRO 38 1HD PRO 38 6.508 2.517 1.150 238 H VAL 39 H VAL 39 9.509 7.244 1.357 239 HA VAL 39 HA VAL 39 11.896 6.301 -0.182 240 HB VAL 39 HB VAL 39 10.629 7.561 -1.780 241 1HG1 VAL 39 1HG1 VAL 39 10.335 10.116 -0.549 242 2HG1 VAL 39 2HG1 VAL 39 9.695 8.912 0.568 243 3HG1 VAL 39 3HG1 VAL 39 9.064 9.013 -1.074 244 1HG2 VAL 39 1HG2 VAL 39 12.373 9.756 -0.724 245 2HG2 VAL 39 2HG2 VAL 39 12.208 9.155 -2.373 246 3HG2 VAL 39 3HG2 VAL 39 13.135 8.235 -1.186 247 H GLY 40 H GLY 40 12.349 6.158 2.331 248 1HA GLY 40 2HA GLY 40 13.798 6.976 4.009 249 2HA GLY 40 1HA GLY 40 14.073 8.403 3.009 250 H GLY 41 H GLY 41 11.076 7.079 4.451 251 1HA GLY 41 2HA GLY 41 9.815 8.041 6.245 252 2HA GLY 41 1HA GLY 41 10.872 9.449 6.190 253 H GLN 42 H GLN 42 10.657 9.774 3.307 254 HA GLN 42 HA GLN 42 8.169 11.320 3.240 255 1HB GLN 42 2HB GLN 42 10.375 10.739 1.239 256 2HB GLN 42 1HB GLN 42 9.075 11.898 0.963 257 1HG GLN 42 2HG GLN 42 10.063 12.567 3.490 258 2HG GLN 42 1HG GLN 42 11.504 12.198 2.543 259 1HE2 GLN 42 1HE2 GLN 42 10.811 14.891 3.394 260 2HE2 GLN 42 2HE2 GLN 42 10.497 15.804 1.998 261 H ASP 43 H ASP 43 7.453 10.953 0.512 262 HA ASP 43 HA ASP 43 6.740 8.063 0.329 263 1HB ASP 43 2HB ASP 43 4.848 10.430 0.277 264 2HB ASP 43 1HB ASP 43 4.380 8.767 -0.082 265 H ALA 44 H ALA 44 6.617 7.334 -1.768 266 HA ALA 44 HA ALA 44 6.830 9.339 -3.983 267 1HB ALA 44 1HB ALA 44 9.012 8.319 -3.395 268 2HB ALA 44 2HB ALA 44 8.485 7.794 -4.993 269 3HB ALA 44 3HB ALA 44 8.315 6.715 -3.610 270 H CYS 45 H CYS 45 5.993 8.461 -6.068 271 HA CYS 45 HA CYS 45 4.290 6.026 -5.743 272 1HB CYS 45 2HB CYS 45 3.526 8.834 -6.077 273 2HB CYS 45 1HB CYS 45 2.776 7.775 -7.273 274 H ASN 46 H ASN 46 3.760 4.972 -7.747 275 HA ASN 46 HA ASN 46 5.735 5.471 -9.907 276 1HB ASN 46 2HB ASN 46 3.846 3.251 -9.102 277 2HB ASN 46 1HB ASN 46 4.640 3.236 -10.677 278 1HD2 ASN 46 1HD2 ASN 46 6.414 1.851 -10.554 279 2HD2 ASN 46 2HD2 ASN 46 7.509 1.785 -9.257 280 HA PRO 47 HA PRO 47 2.260 7.538 -11.891 281 1HB PRO 47 2HB PRO 47 3.755 8.747 -13.835 282 2HB PRO 47 1HB PRO 47 3.597 9.395 -12.189 283 1HG PRO 47 2HG PRO 47 5.835 7.862 -13.409 284 2HG PRO 47 1HG PRO 47 5.880 9.192 -12.241 285 1HD PRO 47 2HD PRO 47 6.208 6.548 -11.570 286 2HD PRO 47 1HD PRO 47 5.621 7.797 -10.449 287 H ALA 48 H ALA 48 4.830 5.644 -13.398 288 HA ALA 48 HA ALA 48 3.507 5.172 -15.915 289 1HB ALA 48 1HB ALA 48 5.961 4.911 -15.282 290 2HB ALA 48 2HB ALA 48 5.284 3.571 -16.206 291 3HB ALA 48 3HB ALA 48 5.506 3.417 -14.463 292 H THR 49 H THR 49 2.733 4.127 -12.789 293 HA THR 49 HA THR 49 1.307 1.718 -13.869 294 HB THR 49 HB THR 49 1.560 0.862 -11.526 295 HG1 THR 49 HG1 THR 49 2.480 2.073 -10.051 296 1HG2 THR 49 1HG2 THR 49 3.198 0.213 -13.208 297 2HG2 THR 49 2HG2 THR 49 4.023 0.495 -11.674 298 3HG2 THR 49 3HG2 THR 49 4.095 1.709 -12.951 299 H ALA 50 H ALA 50 0.905 4.832 -12.603 300 HA ALA 50 HA ALA 50 -1.406 4.513 -10.927 301 1HB ALA 50 1HB ALA 50 0.266 6.545 -11.895 302 2HB ALA 50 2HB ALA 50 -1.083 6.752 -10.776 303 3HB ALA 50 3HB ALA 50 -1.335 6.960 -12.509 304 H THR 51 H THR 51 -3.458 3.903 -11.531 305 HA THR 51 HA THR 51 -4.689 4.828 -13.996 306 HB THR 51 HB THR 51 -3.052 3.056 -14.724 307 HG1 THR 51 HG1 THR 51 -4.439 2.573 -16.217 308 1HG2 THR 51 1HG2 THR 51 -4.537 0.753 -14.020 309 2HG2 THR 51 2HG2 THR 51 -4.309 1.677 -12.535 310 3HG2 THR 51 3HG2 THR 51 -2.911 1.185 -13.492 311 H SER 52 H SER 52 -6.899 3.750 -14.274 312 HA SER 52 HA SER 52 -7.952 2.744 -11.651 313 1HB SER 52 2HB SER 52 -9.971 4.147 -12.205 314 2HB SER 52 1HB SER 52 -8.509 5.089 -11.925 315 HG SER 52 HG SER 52 -8.356 5.497 -14.042 316 H PHE 53 H PHE 53 -9.814 1.327 -11.857 317 HA PHE 53 HA PHE 53 -10.379 0.333 -14.624 318 1HB PHE 53 2HB PHE 53 -10.112 -1.954 -13.778 319 2HB PHE 53 1HB PHE 53 -8.639 -1.032 -13.474 320 HD1 PHE 53 HD1 PHE 53 -11.326 -2.924 -11.990 321 HD2 PHE 53 HD2 PHE 53 -8.333 0.049 -11.176 322 HE1 PHE 53 HE1 PHE 53 -11.544 -3.369 -9.559 323 HE2 PHE 53 HE2 PHE 53 -8.552 -0.395 -8.747 324 HZ PHE 53 HZ PHE 53 -10.157 -2.104 -7.938 325 H THR 54 H THR 54 -12.513 -0.482 -14.877 326 HA THR 54 HA THR 54 -14.372 0.191 -12.655 327 HB THR 54 HB THR 54 -14.953 -0.417 -15.560 328 HG1 THR 54 HG1 THR 54 -14.657 1.690 -15.967 329 1HG2 THR 54 1HG2 THR 54 -16.911 -0.529 -14.158 330 2HG2 THR 54 2HG2 THR 54 -16.969 0.998 -15.037 331 3HG2 THR 54 3HG2 THR 54 -16.473 0.972 -13.345 332 H THR 55 H THR 55 -16.058 -1.331 -12.093 333 HA THR 55 HA THR 55 -15.230 -4.072 -11.899 334 HB THR 55 HB THR 55 -17.858 -4.201 -11.405 335 HG1 THR 55 HG1 THR 55 -18.748 -2.362 -11.743 336 1HG2 THR 55 1HG2 THR 55 -16.027 -2.529 -9.687 337 2HG2 THR 55 2HG2 THR 55 -15.938 -4.288 -9.786 338 3HG2 THR 55 3HG2 THR 55 -17.389 -3.511 -9.164 339 H ASP 56 H ASP 56 -17.672 -5.472 -12.644 340 HA ASP 56 HA ASP 56 -17.800 -5.141 -15.624 341 1HB ASP 56 2HB ASP 56 -16.128 -6.927 -14.376 342 2HB ASP 56 1HB ASP 56 -17.575 -7.909 -14.605 343 H ALA 57 H ALA 57 -19.351 -7.391 -16.172 344 HA ALA 57 HA ALA 57 -21.960 -6.608 -15.347 345 1HB ALA 57 1HB ALA 57 -22.648 -8.504 -16.595 346 2HB ALA 57 2HB ALA 57 -21.185 -9.399 -16.185 347 3HB ALA 57 3HB ALA 57 -21.106 -8.060 -17.331 348 H SER 58 H SER 58 -19.992 -9.386 -14.319 349 HA SER 58 HA SER 58 -21.807 -9.947 -12.083 350 1HB SER 58 2HB SER 58 -20.696 -11.960 -12.095 351 2HB SER 58 1HB SER 58 -20.173 -11.421 -13.687 352 HG SER 58 HG SER 58 -18.811 -11.301 -11.212 353 H GLY 59 H GLY 59 -19.838 -7.461 -12.491 354 1HA GLY 59 2HA GLY 59 -18.766 -5.988 -11.020 355 2HA GLY 59 1HA GLY 59 -19.383 -6.964 -9.693 356 H ALA 60 H ALA 60 -17.641 -8.780 -11.982 357 HA ALA 60 HA ALA 60 -15.443 -9.128 -10.039 358 1HB ALA 60 1HB ALA 60 -14.937 -10.724 -12.229 359 2HB ALA 60 2HB ALA 60 -16.692 -10.567 -12.279 360 3HB ALA 60 3HB ALA 60 -15.906 -11.207 -10.837 361 H ALA 61 H ALA 61 -13.891 -7.570 -10.197 362 HA ALA 61 HA ALA 61 -13.154 -6.472 -12.858 363 1HB ALA 61 1HB ALA 61 -11.718 -5.427 -10.565 364 2HB ALA 61 2HB ALA 61 -13.451 -5.475 -10.241 365 3HB ALA 61 3HB ALA 61 -12.840 -4.594 -11.642 366 H SER 62 H SER 62 -11.985 -8.363 -13.627 367 HA SER 62 HA SER 62 -9.440 -8.944 -12.152 368 1HB SER 62 2HB SER 62 -9.877 -10.892 -14.111 369 2HB SER 62 1HB SER 62 -10.226 -11.061 -12.394 370 HG SER 62 HG SER 62 -12.081 -11.462 -13.656 371 H PHE 63 H PHE 63 -7.742 -7.847 -13.089 372 HA PHE 63 HA PHE 63 -7.549 -7.884 -16.069 373 1HB PHE 63 2HB PHE 63 -6.957 -5.418 -15.914 374 2HB PHE 63 1HB PHE 63 -8.642 -5.811 -15.583 375 HD1 PHE 63 HD1 PHE 63 -5.664 -4.266 -14.319 376 HD2 PHE 63 HD2 PHE 63 -9.320 -6.178 -13.117 377 HE1 PHE 63 HE1 PHE 63 -5.467 -3.231 -12.073 378 HE2 PHE 63 HE2 PHE 63 -9.122 -5.146 -10.870 379 HZ PHE 63 HZ PHE 63 -7.196 -3.672 -10.348 380 H SER 64 H SER 64 -5.325 -6.822 -16.682 381 HA SER 64 HA SER 64 -3.241 -8.058 -14.937 382 1HB SER 64 2HB SER 64 -3.138 -7.069 -17.797 383 2HB SER 64 1HB SER 64 -1.932 -8.069 -16.993 384 HG SER 64 HG SER 64 -3.828 -8.989 -18.380 385 H PHE 65 H PHE 65 -2.065 -6.700 -13.690 386 HA PHE 65 HA PHE 65 -1.885 -3.805 -14.428 387 1HB PHE 65 2HB PHE 65 -2.908 -4.508 -12.250 388 2HB PHE 65 1HB PHE 65 -1.390 -5.283 -11.818 389 HD1 PHE 65 HD1 PHE 65 0.179 -4.069 -10.595 390 HD2 PHE 65 HD2 PHE 65 -2.686 -1.976 -13.014 391 HE1 PHE 65 HE1 PHE 65 1.049 -1.906 -9.752 392 HE2 PHE 65 HE2 PHE 65 -1.818 0.187 -12.171 393 HZ PHE 65 HZ PHE 65 0.050 0.222 -10.540 394 H VAL 66 H VAL 66 0.400 -2.950 -13.353 395 HA VAL 66 HA VAL 66 2.547 -4.886 -14.120 396 HB VAL 66 HB VAL 66 2.684 -1.955 -14.782 397 1HG1 VAL 66 1HG1 VAL 66 3.754 -3.787 -16.730 398 2HG1 VAL 66 2HG1 VAL 66 4.353 -4.214 -15.127 399 3HG1 VAL 66 3HG1 VAL 66 4.606 -2.587 -15.758 400 1HG2 VAL 66 1HG2 VAL 66 1.126 -4.106 -16.204 401 2HG2 VAL 66 2HG2 VAL 66 1.880 -2.812 -17.133 402 3HG2 VAL 66 3HG2 VAL 66 0.674 -2.428 -15.906 403 H VAL 67 H VAL 67 4.593 -4.464 -13.086 404 HA VAL 67 HA VAL 67 4.577 -2.456 -10.872 405 HB VAL 67 HB VAL 67 5.368 -4.237 -9.337 406 1HG1 VAL 67 1HG1 VAL 67 2.966 -5.556 -10.415 407 2HG1 VAL 67 2HG1 VAL 67 2.790 -3.812 -10.215 408 3HG1 VAL 67 3HG1 VAL 67 3.231 -4.816 -8.834 409 1HG2 VAL 67 1HG2 VAL 67 4.707 -6.610 -10.595 410 2HG2 VAL 67 2HG2 VAL 67 6.348 -6.004 -10.370 411 3HG2 VAL 67 3HG2 VAL 67 5.495 -5.699 -11.884 412 H ARG 68 H ARG 68 6.927 -2.460 -9.870 413 HA ARG 68 HA ARG 68 9.028 -3.277 -11.779 414 1HB ARG 68 2HB ARG 68 8.018 -0.495 -11.346 415 2HB ARG 68 1HB ARG 68 9.741 -0.723 -11.648 416 1HG ARG 68 2HG ARG 68 8.905 -2.239 -13.627 417 2HG ARG 68 1HG ARG 68 7.410 -1.320 -13.442 418 1HD ARG 68 2HD ARG 68 9.371 0.653 -13.356 419 2HD ARG 68 1HD ARG 68 9.959 -0.469 -14.600 420 HE ARG 68 HE ARG 68 7.104 0.036 -14.831 421 1HH1 ARG 68 1HH1 ARG 68 9.267 -0.329 -17.011 422 2HH1 ARG 68 2HH1 ARG 68 9.218 1.231 -17.762 423 1HH2 ARG 68 1HH2 ARG 68 7.463 2.718 -15.168 424 2HH2 ARG 68 2HH2 ARG 68 8.196 2.956 -16.719 425 H LYS 69 H LYS 69 10.752 -3.926 -10.550 426 HA LYS 69 HA LYS 69 10.936 -3.847 -7.763 427 1HB LYS 69 2HB LYS 69 12.305 -5.088 -9.561 428 2HB LYS 69 1HB LYS 69 13.291 -3.629 -9.652 429 1HG LYS 69 2HG LYS 69 14.024 -3.840 -7.418 430 2HG LYS 69 1HG LYS 69 12.738 -4.980 -7.018 431 1HD LYS 69 2HD LYS 69 14.760 -6.263 -7.258 432 2HD LYS 69 1HD LYS 69 13.772 -6.582 -8.684 433 1HE LYS 69 2HE LYS 69 15.191 -4.392 -9.526 434 2HE LYS 69 1HE LYS 69 16.381 -5.208 -8.490 435 1HZ LYS 69 1HZ LYS 69 15.964 -7.270 -9.626 436 2HZ LYS 69 2HZ LYS 69 16.366 -6.088 -10.780 437 3HZ LYS 69 3HZ LYS 69 14.747 -6.561 -10.571 438 H SER 70 H SER 70 12.323 -1.547 -10.116 439 HA SER 70 HA SER 70 12.548 0.477 -7.911 440 1HB SER 70 2HB SER 70 14.448 -0.372 -10.093 441 2HB SER 70 1HB SER 70 14.580 1.226 -9.362 442 HG SER 70 HG SER 70 15.402 -1.141 -8.416 443 H TYR 71 H TYR 71 12.246 2.723 -8.691 444 HA TYR 71 HA TYR 71 11.495 3.202 -11.482 445 1HB TYR 71 2HB TYR 71 9.126 3.466 -11.111 446 2HB TYR 71 1HB TYR 71 9.582 1.904 -10.422 447 HD1 TYR 71 HD1 TYR 71 8.646 5.393 -9.663 448 HD2 TYR 71 HD2 TYR 71 9.642 1.550 -8.013 449 HE1 TYR 71 HE1 TYR 71 7.837 6.142 -7.440 450 HE2 TYR 71 HE2 TYR 71 8.827 2.296 -5.787 451 HH TYR 71 HH TYR 71 6.893 4.895 -5.318 452 H THR 72 H THR 72 11.456 5.433 -11.918 453 HA THR 72 HA THR 72 12.575 7.236 -9.992 454 HB THR 72 HB THR 72 10.987 7.863 -12.495 455 HG1 THR 72 HG1 THR 72 12.479 6.477 -13.198 456 1HG2 THR 72 1HG2 THR 72 13.411 9.387 -11.898 457 2HG2 THR 72 2HG2 THR 72 12.184 9.534 -10.640 458 3HG2 THR 72 3HG2 THR 72 11.795 9.965 -12.306 459 H GLY 73 H GLY 73 11.522 8.725 -8.608 460 1HA GLY 73 2HA GLY 73 8.555 8.872 -8.802 461 2HA GLY 73 1HA GLY 73 9.280 8.414 -7.264 462 H SER 74 H SER 74 7.755 10.555 -7.127 463 HA SER 74 HA SER 74 9.675 12.852 -6.917 464 1HB SER 74 2HB SER 74 8.046 14.273 -7.918 465 2HB SER 74 1HB SER 74 8.047 12.829 -8.924 466 HG SER 74 HG SER 74 6.085 12.410 -8.288 467 H THR 75 H THR 75 7.451 14.511 -5.895 468 HA THR 75 HA THR 75 7.153 13.219 -3.217 469 HB THR 75 HB THR 75 6.982 15.597 -2.478 470 HG1 THR 75 HG1 THR 75 6.441 16.860 -4.053 471 1HG2 THR 75 1HG2 THR 75 9.161 15.005 -2.164 472 2HG2 THR 75 2HG2 THR 75 9.436 16.105 -3.513 473 3HG2 THR 75 3HG2 THR 75 9.321 14.372 -3.803 474 HA PRO 76 HA PRO 76 2.810 13.548 -3.731 475 1HB PRO 76 2HB PRO 76 2.038 13.519 -1.119 476 2HB PRO 76 1HB PRO 76 2.699 12.095 -1.946 477 1HG PRO 76 2HG PRO 76 3.954 13.846 0.060 478 2HG PRO 76 1HG PRO 76 4.310 12.166 -0.355 479 1HD PRO 76 2HD PRO 76 5.748 14.480 -1.160 480 2HD PRO 76 1HD PRO 76 6.013 12.804 -1.689 481 H GLU 77 H GLU 77 4.407 16.185 -3.431 482 HA GLU 77 HA GLU 77 2.042 17.874 -2.901 483 1HB GLU 77 2HB GLU 77 4.406 17.555 -1.127 484 2HB GLU 77 1HB GLU 77 3.789 19.195 -1.337 485 1HG GLU 77 2HG GLU 77 1.564 17.422 -0.982 486 2HG GLU 77 1HG GLU 77 2.727 17.136 0.313 487 H GLY 78 H GLY 78 4.321 17.248 -5.023 488 1HA GLY 78 2HA GLY 78 4.951 18.637 -6.872 489 2HA GLY 78 1HA GLY 78 4.501 20.054 -5.928 490 H THR 79 H THR 79 6.968 17.490 -6.089 491 HA THR 79 HA THR 79 9.156 19.367 -5.818 492 HB THR 79 HB THR 79 8.152 17.835 -3.410 493 HG1 THR 79 HG1 THR 79 7.622 19.767 -2.877 494 1HG2 THR 79 1HG2 THR 79 10.226 18.111 -2.294 495 2HG2 THR 79 2HG2 THR 79 10.845 19.183 -3.549 496 3HG2 THR 79 3HG2 THR 79 10.654 17.463 -3.876 497 HA PRO 80 HA PRO 80 10.744 15.573 -7.534 498 1HB PRO 80 2HB PRO 80 13.132 16.593 -8.382 499 2HB PRO 80 1HB PRO 80 11.604 16.873 -9.240 500 1HG PRO 80 2HG PRO 80 13.148 18.698 -7.492 501 2HG PRO 80 1HG PRO 80 12.104 19.067 -8.873 502 1HD PRO 80 2HD PRO 80 11.413 19.344 -6.174 503 2HD PRO 80 1HD PRO 80 10.283 19.335 -7.544 504 H VAL 81 H VAL 81 12.217 13.978 -6.791 505 HA VAL 81 HA VAL 81 14.052 14.763 -4.565 506 HB VAL 81 HB VAL 81 13.293 12.416 -3.679 507 1HG1 VAL 81 1HG1 VAL 81 12.806 14.369 -2.410 508 2HG1 VAL 81 2HG1 VAL 81 11.262 13.540 -2.613 509 3HG1 VAL 81 3HG1 VAL 81 11.647 14.944 -3.609 510 1HG2 VAL 81 1HG2 VAL 81 11.976 12.090 -5.903 511 2HG2 VAL 81 2HG2 VAL 81 10.771 13.139 -5.157 512 3HG2 VAL 81 3HG2 VAL 81 11.202 11.608 -4.393 513 H GLY 82 H GLY 82 13.293 12.491 -7.168 514 1HA GLY 82 2HA GLY 82 15.472 11.989 -8.490 515 2HA GLY 82 1HA GLY 82 16.037 11.367 -6.941 516 H SER 83 H SER 83 16.252 9.232 -7.843 517 HA SER 83 HA SER 83 13.777 7.907 -8.786 518 1HB SER 83 2HB SER 83 16.618 7.667 -9.150 519 2HB SER 83 1HB SER 83 15.969 6.120 -8.617 520 HG SER 83 HG SER 83 15.777 7.299 -11.015 521 H VAL 84 H VAL 84 13.076 5.882 -7.797 522 HA VAL 84 HA VAL 84 13.756 5.700 -4.873 523 HB VAL 84 HB VAL 84 11.214 5.101 -6.422 524 1HG1 VAL 84 1HG1 VAL 84 10.229 4.734 -4.166 525 2HG1 VAL 84 2HG1 VAL 84 11.840 4.882 -3.464 526 3HG1 VAL 84 3HG1 VAL 84 11.472 3.546 -4.555 527 1HG2 VAL 84 1HG2 VAL 84 11.420 7.460 -6.192 528 2HG2 VAL 84 2HG2 VAL 84 12.086 7.323 -4.565 529 3HG2 VAL 84 3HG2 VAL 84 10.382 6.972 -4.853 530 H ASP 85 H ASP 85 13.929 3.534 -4.003 531 HA ASP 85 HA ASP 85 14.109 1.350 -6.054 532 1HB ASP 85 2HB ASP 85 16.059 2.419 -4.071 533 2HB ASP 85 1HB ASP 85 16.028 0.668 -4.284 534 H CYS 86 H CYS 86 12.863 -0.394 -5.478 535 HA CYS 86 HA CYS 86 11.575 -0.471 -2.834 536 1HB CYS 86 2HB CYS 86 10.677 -1.027 -5.239 537 2HB CYS 86 1HB CYS 86 11.418 -2.602 -4.951 538 H ALA 87 H ALA 87 14.450 -1.713 -4.194 539 HA ALA 87 HA ALA 87 14.634 -4.265 -2.893 540 1HB ALA 87 1HB ALA 87 16.272 -2.388 -4.403 541 2HB ALA 87 2HB ALA 87 16.362 -4.148 -4.353 542 3HB ALA 87 3HB ALA 87 17.207 -3.188 -3.139 543 H THR 88 H THR 88 15.694 -1.000 -1.903 544 HA THR 88 HA THR 88 16.655 -1.994 0.701 545 HB THR 88 HB THR 88 17.756 -0.192 -0.654 546 HG1 THR 88 HG1 THR 88 17.611 -0.356 1.807 547 1HG2 THR 88 1HG2 THR 88 16.649 2.071 -0.560 548 2HG2 THR 88 2HG2 THR 88 15.192 1.266 0.024 549 3HG2 THR 88 3HG2 THR 88 15.817 0.901 -1.584 550 H ALA 89 H ALA 89 13.642 -1.408 -0.507 551 HA ALA 89 HA ALA 89 12.571 -0.778 2.194 552 1HB ALA 89 1HB ALA 89 12.834 1.317 0.874 553 2HB ALA 89 2HB ALA 89 11.140 0.960 1.210 554 3HB ALA 89 3HB ALA 89 11.811 0.625 -0.386 555 H ALA 90 H ALA 90 9.917 -0.378 0.698 556 HA ALA 90 HA ALA 90 9.410 -3.138 -0.291 557 1HB ALA 90 1HB ALA 90 8.614 -1.948 2.289 558 2HB ALA 90 2HB ALA 90 8.745 -3.646 1.830 559 3HB ALA 90 3HB ALA 90 7.297 -2.729 1.412 560 H CYS 91 H CYS 91 7.311 -3.289 -1.398 561 HA CYS 91 HA CYS 91 6.258 -0.614 -2.258 562 1HB CYS 91 2HB CYS 91 6.781 -3.216 -3.704 563 2HB CYS 91 1HB CYS 91 5.730 -1.979 -4.385 564 H ASN 92 H ASN 92 4.006 -0.378 -2.232 565 HA ASN 92 HA ASN 92 2.387 -2.794 -1.514 566 1HB ASN 92 2HB ASN 92 1.134 -1.132 -0.007 567 2HB ASN 92 1HB ASN 92 2.748 -1.606 0.522 568 1HD2 ASN 92 1HD2 ASN 92 4.475 -0.012 0.359 569 2HD2 ASN 92 2HD2 ASN 92 4.146 1.627 0.061 570 H LEU 93 H LEU 93 0.500 -2.957 -2.686 571 HA LEU 93 HA LEU 93 -0.198 -0.671 -4.493 572 1HB LEU 93 2HB LEU 93 0.392 -2.629 -5.717 573 2HB LEU 93 1HB LEU 93 -0.502 -3.677 -4.614 574 HG LEU 93 HG LEU 93 -2.614 -2.483 -5.350 575 1HD1 LEU 93 1HD1 LEU 93 -1.982 -0.476 -6.333 576 2HD1 LEU 93 2HD1 LEU 93 -2.185 -1.480 -7.769 577 3HD1 LEU 93 3HD1 LEU 93 -0.571 -1.186 -7.119 578 1HD2 LEU 93 1HD2 LEU 93 -2.844 -3.818 -7.342 579 2HD2 LEU 93 2HD2 LEU 93 -1.785 -4.709 -6.248 580 3HD2 LEU 93 3HD2 LEU 93 -1.100 -3.821 -7.609 581 H GLY 94 H GLY 94 -2.006 0.437 -3.836 582 1HA GLY 94 2HA GLY 94 -4.030 -1.059 -2.222 583 2HA GLY 94 1HA GLY 94 -3.763 0.682 -2.102 584 H ALA 95 H ALA 95 -6.324 -0.251 -2.586 585 HA ALA 95 HA ALA 95 -6.897 1.001 -5.188 586 1HB ALA 95 1HB ALA 95 -7.550 -1.912 -4.629 587 2HB ALA 95 2HB ALA 95 -6.291 -1.349 -5.727 588 3HB ALA 95 3HB ALA 95 -7.986 -1.020 -6.086 589 H GLY 96 H GLY 96 -9.397 0.894 -5.533 590 1HA GLY 96 2HA GLY 96 -11.564 0.456 -4.312 591 2HA GLY 96 1HA GLY 96 -10.740 1.031 -2.861 592 H ASN 97 H ASN 97 -12.863 2.449 -3.151 593 HA ASN 97 HA ASN 97 -11.967 4.995 -4.416 594 1HB ASN 97 2HB ASN 97 -14.132 5.245 -5.467 595 2HB ASN 97 1HB ASN 97 -13.525 3.641 -5.879 596 1HD2 ASN 97 1HD2 ASN 97 -16.311 5.144 -4.930 597 2HD2 ASN 97 2HD2 ASN 97 -17.056 3.871 -4.089 598 H SER 98 H SER 98 -14.575 6.216 -3.776 599 HA SER 98 HA SER 98 -14.167 6.529 -0.848 600 1HB SER 98 2HB SER 98 -14.262 8.339 -2.837 601 2HB SER 98 1HB SER 98 -15.974 8.285 -2.429 602 HG SER 98 HG SER 98 -15.533 9.322 -0.659 603 H GLY 99 H GLY 99 -15.575 4.194 -1.771 604 1HA GLY 99 2HA GLY 99 -18.179 4.686 -0.447 605 2HA GLY 99 1HA GLY 99 -18.221 4.004 -2.073 606 H LEU 100 H LEU 100 -15.996 2.304 -1.953 607 HA LEU 100 HA LEU 100 -17.011 0.233 -0.057 608 1HB LEU 100 2HB LEU 100 -15.316 0.136 -2.572 609 2HB LEU 100 1HB LEU 100 -15.784 -1.283 -1.635 610 HG LEU 100 HG LEU 100 -17.812 0.675 -2.720 611 1HD1 LEU 100 1HD1 LEU 100 -18.020 -1.591 -4.268 612 2HD1 LEU 100 2HD1 LEU 100 -16.272 -1.424 -4.097 613 3HD1 LEU 100 3HD1 LEU 100 -17.223 -0.100 -4.771 614 1HD2 LEU 100 1HD2 LEU 100 -18.012 -2.224 -1.841 615 2HD2 LEU 100 2HD2 LEU 100 -19.353 -1.191 -2.337 616 3HD2 LEU 100 3HD2 LEU 100 -18.472 -0.840 -0.850 617 H ASP 101 H ASP 101 -14.555 -1.330 -0.248 618 HA ASP 101 HA ASP 101 -12.306 0.237 0.708 619 1HB ASP 101 2HB ASP 101 -14.406 -0.722 2.537 620 2HB ASP 101 1HB ASP 101 -12.772 -1.165 3.033 621 H LEU 102 H LEU 102 -10.669 -1.016 -0.104 622 HA LEU 102 HA LEU 102 -10.912 -3.993 0.154 623 1HB LEU 102 2HB LEU 102 -9.277 -2.455 -1.870 624 2HB LEU 102 1HB LEU 102 -9.791 -4.141 -1.950 625 HG LEU 102 HG LEU 102 -11.675 -1.765 -1.994 626 1HD1 LEU 102 1HD1 LEU 102 -11.274 -3.585 -4.328 627 2HD1 LEU 102 2HD1 LEU 102 -10.037 -2.366 -4.020 628 3HD1 LEU 102 3HD1 LEU 102 -11.708 -1.875 -4.298 629 1HD2 LEU 102 1HD2 LEU 102 -12.153 -4.709 -2.557 630 2HD2 LEU 102 2HD2 LEU 102 -13.369 -3.432 -2.555 631 3HD2 LEU 102 3HD2 LEU 102 -12.579 -3.900 -1.049 632 H GLY 103 H GLY 103 -8.530 -1.343 -0.022 633 1HA GLY 103 2HA GLY 103 -6.877 -1.115 1.806 634 2HA GLY 103 1HA GLY 103 -6.857 -2.872 1.906 635 H HIS 104 H HIS 104 -4.587 -2.955 1.520 636 HA HIS 104 HA HIS 104 -3.889 -2.686 -1.355 637 1HB HIS 104 2HB HIS 104 -1.730 -1.539 -0.526 638 2HB HIS 104 1HB HIS 104 -3.205 -0.573 -0.502 639 HD1 HIS 104 HD1 HIS 104 -0.451 -1.438 1.604 640 HD2 HIS 104 HD2 HIS 104 -4.530 -0.876 2.255 641 HE1 HIS 104 HE1 HIS 104 -0.732 -1.038 4.092 642 H VAL 105 H VAL 105 -2.553 -4.336 -2.016 643 HA VAL 105 HA VAL 105 -1.827 -6.417 -0.064 644 HB VAL 105 HB VAL 105 -1.259 -6.200 -3.037 645 1HG1 VAL 105 1HG1 VAL 105 -0.776 -8.449 -2.984 646 2HG1 VAL 105 2HG1 VAL 105 -1.885 -8.762 -1.647 647 3HG1 VAL 105 3HG1 VAL 105 -0.305 -8.045 -1.332 648 1HG2 VAL 105 1HG2 VAL 105 -3.405 -7.489 -3.275 649 2HG2 VAL 105 2HG2 VAL 105 -3.636 -5.840 -2.691 650 3HG2 VAL 105 3HG2 VAL 105 -3.717 -7.194 -1.565 651 H ALA 106 H ALA 106 0.044 -6.109 1.096 652 HA ALA 106 HA ALA 106 2.177 -4.351 0.365 653 1HB ALA 106 1HB ALA 106 1.649 -6.526 2.338 654 2HB ALA 106 2HB ALA 106 2.124 -4.852 2.618 655 3HB ALA 106 3HB ALA 106 3.328 -6.037 2.109 656 H LEU 107 H LEU 107 2.897 -4.838 -1.771 657 HA LEU 107 HA LEU 107 3.558 -7.447 -2.742 658 1HB LEU 107 2HB LEU 107 4.602 -4.689 -3.450 659 2HB LEU 107 1HB LEU 107 4.761 -6.124 -4.465 660 HG LEU 107 HG LEU 107 2.094 -5.061 -3.505 661 1HD1 LEU 107 1HD1 LEU 107 3.276 -4.720 -6.267 662 2HD1 LEU 107 2HD1 LEU 107 3.431 -3.484 -5.019 663 3HD1 LEU 107 3HD1 LEU 107 1.834 -3.954 -5.599 664 1HD2 LEU 107 1HD2 LEU 107 1.178 -6.797 -4.661 665 2HD2 LEU 107 2HD2 LEU 107 2.777 -7.524 -4.511 666 3HD2 LEU 107 3HD2 LEU 107 2.339 -6.652 -5.980 667 H THR 108 H THR 108 5.786 -8.250 -3.175 668 HA THR 108 HA THR 108 7.851 -7.218 -1.278 669 HB THR 108 HB THR 108 7.534 -10.160 -1.589 670 HG1 THR 108 HG1 THR 108 5.932 -9.924 0.206 671 1HG2 THR 108 1HG2 THR 108 7.947 -9.933 0.932 672 2HG2 THR 108 2HG2 THR 108 8.219 -8.219 0.617 673 3HG2 THR 108 3HG2 THR 108 9.260 -9.430 -0.132 674 H PHE 109 H PHE 109 10.019 -7.701 -1.953 675 HA PHE 109 HA PHE 109 10.271 -8.797 -4.736 676 1HB PHE 109 2HB PHE 109 11.083 -6.246 -3.468 677 2HB PHE 109 1HB PHE 109 12.308 -6.993 -4.496 678 HD1 PHE 109 HD1 PHE 109 11.795 -7.506 -6.889 679 HD2 PHE 109 HD2 PHE 109 9.082 -5.291 -4.398 680 HE1 PHE 109 HE1 PHE 109 10.593 -6.707 -8.907 681 HE2 PHE 109 HE2 PHE 109 7.882 -4.494 -6.418 682 HZ PHE 109 HZ PHE 109 8.636 -5.204 -8.670 683 H GLY 110 H GLY 110 10.761 -10.827 -3.391 684 1HA GLY 110 2HA GLY 110 13.456 -11.512 -3.414 685 2HA GLY 110 1HA GLY 110 13.180 -10.883 -1.790 Start of MODEL 5 1 1H ALA 1 1H ALA 1 -18.505 -6.408 3.129 2 2H ALA 1 2H ALA 1 -18.377 -7.638 1.965 3 3H ALA 1 3H ALA 1 -19.141 -6.174 1.572 4 HA ALA 1 HA ALA 1 -17.109 -4.974 1.626 5 1HB ALA 1 1HB ALA 1 -16.039 -5.763 3.530 6 2HB ALA 1 2HB ALA 1 -15.076 -6.565 2.290 7 3HB ALA 1 3HB ALA 1 -16.350 -7.451 3.127 8 HA PRO 2 HA PRO 2 -16.482 -6.663 -2.390 9 1HB PRO 2 2HB PRO 2 -14.396 -5.078 -3.181 10 2HB PRO 2 1HB PRO 2 -16.074 -4.504 -3.094 11 1HG PRO 2 2HG PRO 2 -13.835 -4.099 -1.170 12 2HG PRO 2 1HG PRO 2 -15.104 -2.974 -1.680 13 1HD PRO 2 2HD PRO 2 -15.162 -4.322 0.692 14 2HD PRO 2 1HD PRO 2 -16.624 -3.795 -0.172 15 H ALA 3 H ALA 3 -13.951 -6.832 -3.658 16 HA ALA 3 HA ALA 3 -12.205 -8.377 -1.814 17 1HB ALA 3 1HB ALA 3 -12.417 -10.386 -3.113 18 2HB ALA 3 2HB ALA 3 -13.305 -9.543 -4.383 19 3HB ALA 3 3HB ALA 3 -14.060 -9.818 -2.812 20 H PHE 4 H PHE 4 -10.113 -7.878 -2.300 21 HA PHE 4 HA PHE 4 -9.358 -7.281 -5.128 22 1HB PHE 4 2HB PHE 4 -9.829 -5.134 -4.114 23 2HB PHE 4 1HB PHE 4 -8.924 -5.565 -2.663 24 HD1 PHE 4 HD1 PHE 4 -6.434 -5.784 -2.750 25 HD2 PHE 4 HD2 PHE 4 -8.716 -4.378 -6.107 26 HE1 PHE 4 HE1 PHE 4 -4.364 -4.895 -3.789 27 HE2 PHE 4 HE2 PHE 4 -6.647 -3.489 -7.143 28 HZ PHE 4 HZ PHE 4 -4.472 -3.746 -5.985 29 H SER 5 H SER 5 -7.913 -9.005 -5.393 30 HA SER 5 HA SER 5 -5.552 -9.023 -3.587 31 1HB SER 5 2HB SER 5 -7.095 -10.537 -2.523 32 2HB SER 5 1HB SER 5 -7.465 -11.321 -4.056 33 HG SER 5 HG SER 5 -5.605 -12.367 -3.978 34 H VAL 6 H VAL 6 -3.728 -10.097 -4.512 35 HA VAL 6 HA VAL 6 -3.964 -10.665 -7.450 36 HB VAL 6 HB VAL 6 -2.755 -8.582 -6.802 37 1HG1 VAL 6 1HG1 VAL 6 -0.883 -10.497 -5.375 38 2HG1 VAL 6 2HG1 VAL 6 -2.004 -9.394 -4.576 39 3HG1 VAL 6 3HG1 VAL 6 -0.665 -8.753 -5.529 40 1HG2 VAL 6 1HG2 VAL 6 -0.854 -8.951 -8.187 41 2HG2 VAL 6 2HG2 VAL 6 -2.053 -10.105 -8.756 42 3HG2 VAL 6 3HG2 VAL 6 -0.740 -10.646 -7.715 43 H SER 7 H SER 7 -2.505 -12.398 -8.224 44 HA SER 7 HA SER 7 -2.266 -14.589 -6.313 45 1HB SER 7 2HB SER 7 -2.003 -14.097 -9.207 46 2HB SER 7 1HB SER 7 -0.949 -15.367 -8.592 47 HG SER 7 HG SER 7 -2.753 -16.403 -7.756 48 HA PRO 8 HA PRO 8 2.416 -14.049 -6.833 49 1HB PRO 8 2HB PRO 8 3.406 -12.222 -8.596 50 2HB PRO 8 1HB PRO 8 2.972 -13.874 -9.073 51 1HG PRO 8 2HG PRO 8 1.468 -11.337 -9.461 52 2HG PRO 8 1HG PRO 8 1.618 -12.737 -10.534 53 1HD PRO 8 2HD PRO 8 -0.576 -12.236 -8.959 54 2HD PRO 8 1HD PRO 8 -0.097 -13.849 -9.531 55 H ALA 9 H ALA 9 1.521 -12.879 -4.790 56 HA ALA 9 HA ALA 9 1.616 -9.968 -4.702 57 1HB ALA 9 1HB ALA 9 0.511 -11.971 -3.218 58 2HB ALA 9 2HB ALA 9 0.726 -10.324 -2.623 59 3HB ALA 9 3HB ALA 9 1.912 -11.568 -2.225 60 H SER 10 H SER 10 3.974 -12.480 -4.504 61 HA SER 10 HA SER 10 6.035 -10.465 -3.709 62 1HB SER 10 2HB SER 10 7.018 -12.270 -2.263 63 2HB SER 10 1HB SER 10 5.431 -11.731 -1.721 64 HG SER 10 HG SER 10 5.871 -13.951 -3.437 65 H GLY 11 H GLY 11 8.270 -11.274 -4.291 66 1HA GLY 11 2HA GLY 11 9.773 -12.214 -5.830 67 2HA GLY 11 1HA GLY 11 8.618 -13.533 -6.028 68 H LEU 12 H LEU 12 8.362 -10.037 -6.702 69 HA LEU 12 HA LEU 12 7.204 -10.686 -9.357 70 1HB LEU 12 2HB LEU 12 7.510 -8.125 -7.756 71 2HB LEU 12 1HB LEU 12 6.631 -8.257 -9.281 72 HG LEU 12 HG LEU 12 5.961 -10.087 -6.988 73 1HD1 LEU 12 1HD1 LEU 12 4.588 -8.524 -5.952 74 2HD1 LEU 12 2HD1 LEU 12 4.456 -7.526 -7.401 75 3HD1 LEU 12 3HD1 LEU 12 5.936 -7.497 -6.442 76 1HD2 LEU 12 1HD2 LEU 12 3.672 -9.333 -8.355 77 2HD2 LEU 12 2HD2 LEU 12 4.599 -10.803 -8.650 78 3HD2 LEU 12 3HD2 LEU 12 4.896 -9.366 -9.625 79 H SER 13 H SER 13 7.978 -9.287 -11.224 80 HA SER 13 HA SER 13 10.908 -8.732 -11.027 81 1HB SER 13 2HB SER 13 9.260 -10.376 -12.859 82 2HB SER 13 1HB SER 13 10.537 -9.431 -13.619 83 HG SER 13 HG SER 13 11.725 -11.056 -12.976 84 H ASP 14 H ASP 14 11.661 -6.966 -12.345 85 HA ASP 14 HA ASP 14 9.888 -4.733 -12.600 86 1HB ASP 14 2HB ASP 14 12.292 -4.518 -12.305 87 2HB ASP 14 1HB ASP 14 12.589 -5.394 -13.808 88 H GLY 15 H GLY 15 8.266 -4.577 -14.105 89 1HA GLY 15 2HA GLY 15 7.558 -4.292 -16.399 90 2HA GLY 15 1HA GLY 15 8.869 -5.365 -16.895 91 H GLN 16 H GLN 16 8.251 -7.331 -14.782 92 HA GLN 16 HA GLN 16 6.611 -9.138 -16.171 93 1HB GLN 16 2HB GLN 16 8.151 -9.511 -14.195 94 2HB GLN 16 1HB GLN 16 6.868 -8.879 -13.164 95 1HG GLN 16 2HG GLN 16 5.415 -10.678 -14.498 96 2HG GLN 16 1HG GLN 16 6.990 -11.452 -14.675 97 1HE2 GLN 16 1HE2 GLN 16 4.414 -11.810 -12.806 98 2HE2 GLN 16 2HE2 GLN 16 5.125 -12.107 -11.294 99 H SER 17 H SER 17 4.380 -9.786 -15.831 100 HA SER 17 HA SER 17 2.635 -7.530 -14.931 101 1HB SER 17 2HB SER 17 1.649 -7.972 -16.915 102 2HB SER 17 1HB SER 17 2.737 -9.332 -17.174 103 HG SER 17 HG SER 17 0.974 -10.461 -16.934 104 H VAL 18 H VAL 18 1.182 -7.875 -13.255 105 HA VAL 18 HA VAL 18 1.295 -10.525 -11.883 106 HB VAL 18 HB VAL 18 0.370 -9.113 -9.984 107 1HG1 VAL 18 1HG1 VAL 18 2.499 -8.075 -9.499 108 2HG1 VAL 18 2HG1 VAL 18 2.926 -8.042 -11.210 109 3HG1 VAL 18 3HG1 VAL 18 2.821 -9.582 -10.357 110 1HG2 VAL 18 1HG2 VAL 18 0.148 -6.783 -10.226 111 2HG2 VAL 18 2HG2 VAL 18 -0.509 -7.397 -11.741 112 3HG2 VAL 18 3HG2 VAL 18 1.130 -6.749 -11.691 113 H SER 19 H SER 19 -0.730 -11.499 -11.191 114 HA SER 19 HA SER 19 -3.009 -10.813 -12.974 115 1HB SER 19 2HB SER 19 -3.764 -13.050 -11.712 116 2HB SER 19 1HB SER 19 -2.654 -13.088 -13.076 117 HG SER 19 HG SER 19 -1.765 -14.241 -11.370 118 H VAL 20 H VAL 20 -4.377 -9.312 -12.118 119 HA VAL 20 HA VAL 20 -4.889 -9.344 -9.177 120 HB VAL 20 HB VAL 20 -5.143 -7.323 -11.405 121 1HG1 VAL 20 1HG1 VAL 20 -6.119 -6.992 -8.551 122 2HG1 VAL 20 2HG1 VAL 20 -7.176 -7.236 -9.942 123 3HG1 VAL 20 3HG1 VAL 20 -6.184 -5.782 -9.834 124 1HG2 VAL 20 1HG2 VAL 20 -3.890 -6.739 -8.781 125 2HG2 VAL 20 2HG2 VAL 20 -3.353 -6.313 -10.405 126 3HG2 VAL 20 3HG2 VAL 20 -3.065 -7.935 -9.778 127 H SER 21 H SER 21 -7.078 -9.344 -8.441 128 HA SER 21 HA SER 21 -9.218 -9.753 -10.457 129 1HB SER 21 2HB SER 21 -8.175 -11.953 -10.011 130 2HB SER 21 1HB SER 21 -8.497 -11.753 -8.292 131 HG SER 21 HG SER 21 -10.141 -12.958 -9.284 132 H VAL 22 H VAL 22 -11.092 -8.824 -9.749 133 HA VAL 22 HA VAL 22 -11.345 -8.211 -6.828 134 HB VAL 22 HB VAL 22 -12.022 -6.615 -9.313 135 1HG1 VAL 22 1HG1 VAL 22 -12.904 -4.895 -7.772 136 2HG1 VAL 22 2HG1 VAL 22 -12.662 -5.992 -6.413 137 3HG1 VAL 22 3HG1 VAL 22 -13.840 -6.386 -7.664 138 1HG2 VAL 22 1HG2 VAL 22 -10.337 -5.812 -6.934 139 2HG2 VAL 22 2HG2 VAL 22 -10.374 -5.083 -8.539 140 3HG2 VAL 22 3HG2 VAL 22 -9.648 -6.675 -8.309 141 H SER 23 H SER 23 -13.449 -8.497 -5.939 142 HA SER 23 HA SER 23 -15.735 -9.140 -7.672 143 1HB SER 23 2HB SER 23 -15.823 -11.457 -6.419 144 2HB SER 23 1HB SER 23 -14.792 -11.272 -7.835 145 HG SER 23 HG SER 23 -14.137 -11.723 -5.225 146 H GLY 24 H GLY 24 -17.398 -8.165 -6.588 147 1HA GLY 24 2HA GLY 24 -18.586 -8.744 -4.250 148 2HA GLY 24 1HA GLY 24 -17.213 -7.806 -3.663 149 H ALA 25 H ALA 25 -16.950 -5.717 -5.300 150 HA ALA 25 HA ALA 25 -19.144 -3.987 -4.662 151 1HB ALA 25 1HB ALA 25 -17.858 -2.367 -5.880 152 2HB ALA 25 2HB ALA 25 -17.082 -3.622 -6.849 153 3HB ALA 25 3HB ALA 25 -16.690 -3.459 -5.139 154 H ALA 26 H ALA 26 -19.041 -2.771 -7.488 155 HA ALA 26 HA ALA 26 -20.388 -4.662 -9.230 156 1HB ALA 26 1HB ALA 26 -22.143 -2.492 -8.102 157 2HB ALA 26 2HB ALA 26 -21.961 -4.020 -7.239 158 3HB ALA 26 3HB ALA 26 -22.618 -4.004 -8.876 159 H ALA 27 H ALA 27 -21.515 -3.345 -11.062 160 HA ALA 27 HA ALA 27 -19.586 -1.580 -12.232 161 1HB ALA 27 1HB ALA 27 -20.830 -2.442 -13.911 162 2HB ALA 27 2HB ALA 27 -22.027 -1.205 -13.522 163 3HB ALA 27 3HB ALA 27 -22.162 -2.815 -12.817 164 H GLY 28 H GLY 28 -19.368 0.603 -12.040 165 1HA GLY 28 2HA GLY 28 -20.635 2.797 -12.015 166 2HA GLY 28 1HA GLY 28 -21.554 2.106 -10.682 167 H GLU 29 H GLU 29 -18.376 1.058 -10.486 168 HA GLU 29 HA GLU 29 -17.610 3.346 -8.705 169 1HB GLU 29 2HB GLU 29 -17.471 0.355 -8.216 170 2HB GLU 29 1HB GLU 29 -16.734 1.559 -7.160 171 1HG GLU 29 2HG GLU 29 -19.363 2.461 -7.545 172 2HG GLU 29 1HG GLU 29 -19.508 0.718 -7.315 173 H THR 30 H THR 30 -15.895 4.204 -9.897 174 HA THR 30 HA THR 30 -13.971 2.404 -11.249 175 HB THR 30 HB THR 30 -14.251 5.419 -11.021 176 HG1 THR 30 HG1 THR 30 -14.852 5.062 -13.280 177 1HG2 THR 30 1HG2 THR 30 -11.918 4.795 -11.439 178 2HG2 THR 30 2HG2 THR 30 -12.632 5.484 -12.898 179 3HG2 THR 30 3HG2 THR 30 -12.423 3.738 -12.757 180 H TYR 31 H TYR 31 -12.169 1.696 -10.162 181 HA TYR 31 HA TYR 31 -11.288 3.188 -7.732 182 1HB TYR 31 2HB TYR 31 -10.786 0.356 -8.692 183 2HB TYR 31 1HB TYR 31 -10.309 1.010 -7.124 184 HD1 TYR 31 HD1 TYR 31 -12.809 -0.823 -8.782 185 HD2 TYR 31 HD2 TYR 31 -12.293 2.274 -5.852 186 HE1 TYR 31 HE1 TYR 31 -15.067 -1.307 -7.863 187 HE2 TYR 31 HE2 TYR 31 -14.542 1.791 -4.933 188 HH TYR 31 HH TYR 31 -16.301 -1.009 -5.764 189 H TYR 32 H TYR 32 -8.923 3.323 -7.374 190 HA TYR 32 HA TYR 32 -7.408 3.567 -9.952 191 1HB TYR 32 2HB TYR 32 -6.771 4.936 -7.332 192 2HB TYR 32 1HB TYR 32 -6.315 5.430 -8.961 193 HD1 TYR 32 HD1 TYR 32 -7.941 6.500 -10.463 194 HD2 TYR 32 HD2 TYR 32 -8.998 5.370 -6.461 195 HE1 TYR 32 HE1 TYR 32 -9.983 7.900 -10.606 196 HE2 TYR 32 HE2 TYR 32 -11.041 6.767 -6.599 197 HH TYR 32 HH TYR 32 -11.579 9.062 -8.320 198 H ILE 33 H ILE 33 -6.056 1.798 -10.133 199 HA ILE 33 HA ILE 33 -4.972 0.541 -7.674 200 HB ILE 33 HB ILE 33 -5.988 -0.850 -9.435 201 1HG1 ILE 33 2HG1 ILE 33 -3.083 -1.474 -9.701 202 2HG1 ILE 33 1HG1 ILE 33 -3.757 -1.414 -8.073 203 1HG2 ILE 33 1HG2 ILE 33 -5.323 0.694 -11.339 204 2HG2 ILE 33 2HG2 ILE 33 -5.059 -1.018 -11.648 205 3HG2 ILE 33 3HG2 ILE 33 -3.701 0.019 -11.220 206 1HD1 ILE 33 1HD1 ILE 33 -3.828 -3.689 -9.279 207 2HD1 ILE 33 2HD1 ILE 33 -5.096 -2.979 -10.278 208 3HD1 ILE 33 3HD1 ILE 33 -5.326 -3.129 -8.535 209 H ALA 34 H ALA 34 -3.214 1.643 -6.916 210 HA ALA 34 HA ALA 34 -0.909 1.988 -8.780 211 1HB ALA 34 1HB ALA 34 -2.025 4.077 -6.885 212 2HB ALA 34 2HB ALA 34 -2.196 4.103 -8.639 213 3HB ALA 34 3HB ALA 34 -0.602 4.274 -7.906 214 H GLN 35 H GLN 35 1.127 2.459 -7.446 215 HA GLN 35 HA GLN 35 0.929 1.256 -4.712 216 1HB GLN 35 2HB GLN 35 3.142 0.122 -5.386 217 2HB GLN 35 1HB GLN 35 1.672 -0.499 -6.136 218 1HG GLN 35 2HG GLN 35 2.105 1.024 -8.089 219 2HG GLN 35 1HG GLN 35 3.658 1.434 -7.359 220 1HE2 GLN 35 1HE2 GLN 35 5.010 -0.649 -6.741 221 2HE2 GLN 35 2HE2 GLN 35 5.003 -1.896 -7.892 222 H CYS 36 H CYS 36 2.533 2.010 -3.231 223 HA CYS 36 HA CYS 36 4.353 4.178 -4.190 224 1HB CYS 36 2HB CYS 36 2.233 4.357 -2.033 225 2HB CYS 36 1HB CYS 36 3.501 5.564 -2.251 226 H ALA 37 H ALA 37 6.094 4.630 -2.646 227 HA ALA 37 HA ALA 37 6.358 2.811 -0.314 228 1HB ALA 37 1HB ALA 37 8.099 2.811 -2.791 229 2HB ALA 37 2HB ALA 37 7.203 1.454 -2.106 230 3HB ALA 37 3HB ALA 37 8.618 2.093 -1.267 231 HA PRO 38 HA PRO 38 8.546 6.244 1.341 232 1HB PRO 38 2HB PRO 38 10.310 4.986 3.016 233 2HB PRO 38 1HB PRO 38 8.574 5.124 3.364 234 1HG PRO 38 2HG PRO 38 10.095 2.817 2.238 235 2HG PRO 38 1HG PRO 38 8.792 2.829 3.438 236 1HD PRO 38 2HD PRO 38 8.374 2.181 0.837 237 2HD PRO 38 1HD PRO 38 7.138 2.974 1.840 238 H VAL 39 H VAL 39 10.954 7.004 1.682 239 HA VAL 39 HA VAL 39 12.768 5.757 -0.333 240 HB VAL 39 HB VAL 39 13.185 8.060 -1.235 241 1HG1 VAL 39 1HG1 VAL 39 11.439 6.390 -2.134 242 2HG1 VAL 39 2HG1 VAL 39 11.262 8.074 -2.623 243 3HG1 VAL 39 3HG1 VAL 39 10.236 7.414 -1.349 244 1HG2 VAL 39 1HG2 VAL 39 11.290 8.682 0.963 245 2HG2 VAL 39 2HG2 VAL 39 11.002 9.535 -0.551 246 3HG2 VAL 39 3HG2 VAL 39 12.561 9.679 0.260 247 H GLY 40 H GLY 40 13.328 5.293 2.201 248 1HA GLY 40 2HA GLY 40 15.251 5.444 3.587 249 2HA GLY 40 1HA GLY 40 15.750 6.875 2.688 250 H GLY 41 H GLY 41 12.951 8.044 3.151 251 1HA GLY 41 2HA GLY 41 12.674 8.364 6.007 252 2HA GLY 41 1HA GLY 41 13.505 9.743 5.291 253 H GLN 42 H GLN 42 12.217 10.080 2.909 254 HA GLN 42 HA GLN 42 9.586 11.077 3.797 255 1HB GLN 42 2HB GLN 42 11.610 11.913 2.078 256 2HB GLN 42 1HB GLN 42 10.323 11.400 0.985 257 1HG GLN 42 2HG GLN 42 8.724 12.853 2.098 258 2HG GLN 42 1HG GLN 42 9.915 13.281 3.327 259 1HE2 GLN 42 1HE2 GLN 42 11.334 15.005 2.854 260 2HE2 GLN 42 2HE2 GLN 42 11.414 15.781 1.346 261 H ASP 43 H ASP 43 8.444 10.892 1.090 262 HA ASP 43 HA ASP 43 8.135 7.972 0.649 263 1HB ASP 43 2HB ASP 43 5.683 8.176 0.942 264 2HB ASP 43 1HB ASP 43 6.540 8.608 2.423 265 H ALA 44 H ALA 44 7.329 7.503 -1.446 266 HA ALA 44 HA ALA 44 6.768 9.830 -3.236 267 1HB ALA 44 1HB ALA 44 8.497 9.238 -4.651 268 2HB ALA 44 2HB ALA 44 8.373 7.524 -4.246 269 3HB ALA 44 3HB ALA 44 9.178 8.637 -3.140 270 H CYS 45 H CYS 45 5.461 9.229 -5.107 271 HA CYS 45 HA CYS 45 4.131 6.549 -4.851 272 1HB CYS 45 2HB CYS 45 3.128 9.323 -4.874 273 2HB CYS 45 1HB CYS 45 2.245 8.227 -5.935 274 H ASN 46 H ASN 46 3.482 5.582 -6.865 275 HA ASN 46 HA ASN 46 5.000 6.594 -9.217 276 1HB ASN 46 2HB ASN 46 5.101 4.217 -8.277 277 2HB ASN 46 1HB ASN 46 3.457 4.013 -8.887 278 1HD2 ASN 46 1HD2 ASN 46 5.647 2.471 -9.928 279 2HD2 ASN 46 2HD2 ASN 46 5.903 2.936 -11.539 280 HA PRO 47 HA PRO 47 0.949 7.995 -10.575 281 1HB PRO 47 2HB PRO 47 1.887 9.869 -12.318 282 2HB PRO 47 1HB PRO 47 1.763 10.154 -10.572 283 1HG PRO 47 2HG PRO 47 4.151 9.609 -12.224 284 2HG PRO 47 1HG PRO 47 4.001 10.525 -10.719 285 1HD PRO 47 2HD PRO 47 4.977 7.901 -10.978 286 2HD PRO 47 1HD PRO 47 4.521 8.711 -9.465 287 H ALA 48 H ALA 48 3.738 7.164 -12.590 288 HA ALA 48 HA ALA 48 2.502 6.914 -15.115 289 1HB ALA 48 1HB ALA 48 4.350 4.924 -15.105 290 2HB ALA 48 2HB ALA 48 4.849 5.823 -13.672 291 3HB ALA 48 3HB ALA 48 4.773 6.631 -15.238 292 H THR 49 H THR 49 2.987 4.342 -12.681 293 HA THR 49 HA THR 49 1.242 2.480 -14.115 294 HB THR 49 HB THR 49 1.650 1.247 -11.834 295 HG1 THR 49 HG1 THR 49 3.198 2.135 -10.588 296 1HG2 THR 49 1HG2 THR 49 4.102 0.880 -12.561 297 2HG2 THR 49 2HG2 THR 49 3.733 1.990 -13.880 298 3HG2 THR 49 3HG2 THR 49 2.838 0.478 -13.722 299 H ALA 50 H ALA 50 0.630 5.144 -12.180 300 HA ALA 50 HA ALA 50 -1.536 4.148 -10.535 301 1HB ALA 50 1HB ALA 50 -0.193 6.189 -10.099 302 2HB ALA 50 2HB ALA 50 -1.916 6.554 -10.174 303 3HB ALA 50 3HB ALA 50 -0.875 6.930 -11.548 304 H THR 51 H THR 51 -2.754 2.936 -12.245 305 HA THR 51 HA THR 51 -4.194 4.644 -14.204 306 HB THR 51 HB THR 51 -3.099 2.635 -15.040 307 HG1 THR 51 HG1 THR 51 -4.780 2.081 -16.180 308 1HG2 THR 51 1HG2 THR 51 -4.154 1.547 -12.548 309 2HG2 THR 51 2HG2 THR 51 -2.823 0.966 -13.548 310 3HG2 THR 51 3HG2 THR 51 -4.481 0.495 -13.925 311 H SER 52 H SER 52 -6.603 3.876 -14.480 312 HA SER 52 HA SER 52 -7.826 3.216 -11.837 313 1HB SER 52 2HB SER 52 -8.938 5.410 -13.554 314 2HB SER 52 1HB SER 52 -9.084 5.186 -11.813 315 HG SER 52 HG SER 52 -6.754 5.578 -11.767 316 H PHE 53 H PHE 53 -9.232 1.548 -12.181 317 HA PHE 53 HA PHE 53 -10.528 1.333 -14.874 318 1HB PHE 53 2HB PHE 53 -10.534 -1.113 -14.397 319 2HB PHE 53 1HB PHE 53 -8.905 -0.447 -14.358 320 HD1 PHE 53 HD1 PHE 53 -7.543 -1.029 -12.565 321 HD2 PHE 53 HD2 PHE 53 -11.806 -0.998 -12.020 322 HE1 PHE 53 HE1 PHE 53 -7.263 -1.872 -10.251 323 HE2 PHE 53 HE2 PHE 53 -11.517 -1.829 -9.706 324 HZ PHE 53 HZ PHE 53 -9.245 -2.266 -8.820 325 H THR 54 H THR 54 -12.578 -0.313 -14.431 326 HA THR 54 HA THR 54 -14.087 0.734 -12.083 327 HB THR 54 HB THR 54 -14.823 0.688 -15.013 328 HG1 THR 54 HG1 THR 54 -14.589 2.749 -14.793 329 1HG2 THR 54 1HG2 THR 54 -16.901 0.073 -14.352 330 2HG2 THR 54 2HG2 THR 54 -17.017 1.713 -13.713 331 3HG2 THR 54 3HG2 THR 54 -16.547 0.384 -12.652 332 H THR 55 H THR 55 -15.483 -0.793 -11.155 333 HA THR 55 HA THR 55 -14.992 -3.571 -11.522 334 HB THR 55 HB THR 55 -17.639 -3.228 -10.527 335 HG1 THR 55 HG1 THR 55 -17.500 -1.140 -10.153 336 1HG2 THR 55 1HG2 THR 55 -16.744 -4.370 -8.792 337 2HG2 THR 55 2HG2 THR 55 -15.446 -3.196 -8.577 338 3HG2 THR 55 3HG2 THR 55 -15.300 -4.458 -9.800 339 H ASP 56 H ASP 56 -17.685 -4.650 -11.723 340 HA ASP 56 HA ASP 56 -18.543 -3.918 -14.487 341 1HB ASP 56 2HB ASP 56 -16.934 -6.181 -13.689 342 2HB ASP 56 1HB ASP 56 -18.468 -6.740 -14.358 343 H ALA 57 H ALA 57 -20.241 -6.236 -14.760 344 HA ALA 57 HA ALA 57 -22.596 -5.416 -13.451 345 1HB ALA 57 1HB ALA 57 -23.476 -7.145 -14.652 346 2HB ALA 57 2HB ALA 57 -22.335 -8.304 -13.966 347 3HB ALA 57 3HB ALA 57 -21.848 -7.282 -15.319 348 H SER 58 H SER 58 -20.714 -8.323 -12.615 349 HA SER 58 HA SER 58 -21.942 -8.342 -9.936 350 1HB SER 58 2HB SER 58 -20.589 -10.456 -9.785 351 2HB SER 58 1HB SER 58 -21.662 -10.417 -11.180 352 HG SER 58 HG SER 58 -19.652 -11.044 -11.894 353 H GLY 59 H GLY 59 -20.045 -6.148 -10.803 354 1HA GLY 59 2HA GLY 59 -18.230 -4.960 -9.905 355 2HA GLY 59 1HA GLY 59 -18.595 -5.802 -8.397 356 H ALA 60 H ALA 60 -17.777 -7.555 -11.304 357 HA ALA 60 HA ALA 60 -15.393 -8.667 -9.939 358 1HB ALA 60 1HB ALA 60 -16.019 -9.643 -12.614 359 2HB ALA 60 2HB ALA 60 -17.444 -9.634 -11.576 360 3HB ALA 60 3HB ALA 60 -16.002 -10.523 -11.086 361 H ALA 61 H ALA 61 -13.467 -7.645 -10.321 362 HA ALA 61 HA ALA 61 -12.998 -6.497 -13.050 363 1HB ALA 61 1HB ALA 61 -12.277 -4.556 -12.066 364 2HB ALA 61 2HB ALA 61 -11.551 -5.404 -10.702 365 3HB ALA 61 3HB ALA 61 -13.290 -5.110 -10.732 366 H SER 62 H SER 62 -11.999 -8.610 -13.575 367 HA SER 62 HA SER 62 -9.388 -9.110 -12.194 368 1HB SER 62 2HB SER 62 -10.672 -11.014 -14.109 369 2HB SER 62 1HB SER 62 -9.769 -11.359 -12.637 370 HG SER 62 HG SER 62 -12.168 -11.619 -12.621 371 H PHE 63 H PHE 63 -7.595 -8.467 -13.336 372 HA PHE 63 HA PHE 63 -7.527 -8.809 -16.272 373 1HB PHE 63 2HB PHE 63 -6.957 -6.369 -16.549 374 2HB PHE 63 1HB PHE 63 -8.614 -6.658 -16.020 375 HD1 PHE 63 HD1 PHE 63 -9.050 -6.648 -13.456 376 HD2 PHE 63 HD2 PHE 63 -5.555 -4.960 -15.299 377 HE1 PHE 63 HE1 PHE 63 -8.649 -5.270 -11.433 378 HE2 PHE 63 HE2 PHE 63 -5.153 -3.583 -13.275 379 HZ PHE 63 HZ PHE 63 -6.700 -3.737 -11.340 380 H SER 64 H SER 64 -5.289 -7.961 -17.082 381 HA SER 64 HA SER 64 -3.231 -8.993 -15.214 382 1HB SER 64 2HB SER 64 -3.751 -9.317 -17.882 383 2HB SER 64 1HB SER 64 -2.502 -8.075 -17.926 384 HG SER 64 HG SER 64 -1.737 -10.301 -17.903 385 H PHE 65 H PHE 65 -2.304 -7.474 -13.898 386 HA PHE 65 HA PHE 65 -2.048 -4.661 -14.844 387 1HB PHE 65 2HB PHE 65 -3.109 -5.177 -12.663 388 2HB PHE 65 1HB PHE 65 -1.642 -5.998 -12.146 389 HD1 PHE 65 HD1 PHE 65 -2.446 -2.726 -13.814 390 HD2 PHE 65 HD2 PHE 65 -0.358 -4.761 -10.658 391 HE1 PHE 65 HE1 PHE 65 -1.511 -0.563 -13.035 392 HE2 PHE 65 HE2 PHE 65 0.576 -2.600 -9.880 393 HZ PHE 65 HZ PHE 65 -0.001 -0.500 -11.068 394 H VAL 66 H VAL 66 0.150 -3.647 -13.951 395 HA VAL 66 HA VAL 66 2.376 -5.589 -14.459 396 HB VAL 66 HB VAL 66 2.463 -2.717 -15.350 397 1HG1 VAL 66 1HG1 VAL 66 3.630 -5.208 -16.607 398 2HG1 VAL 66 2HG1 VAL 66 4.465 -4.293 -15.350 399 3HG1 VAL 66 3HG1 VAL 66 4.095 -3.531 -16.897 400 1HG2 VAL 66 1HG2 VAL 66 1.727 -3.779 -17.643 401 2HG2 VAL 66 2HG2 VAL 66 0.490 -3.312 -16.478 402 3HG2 VAL 66 3HG2 VAL 66 0.970 -5.003 -16.623 403 H VAL 67 H VAL 67 4.360 -5.048 -13.377 404 HA VAL 67 HA VAL 67 4.209 -2.853 -11.357 405 HB VAL 67 HB VAL 67 4.980 -4.488 -9.646 406 1HG1 VAL 67 1HG1 VAL 67 2.516 -5.625 -10.953 407 2HG1 VAL 67 2HG1 VAL 67 2.496 -4.002 -10.259 408 3HG1 VAL 67 3HG1 VAL 67 2.850 -5.395 -9.236 409 1HG2 VAL 67 1HG2 VAL 67 4.591 -6.443 -11.932 410 2HG2 VAL 67 2HG2 VAL 67 4.785 -6.923 -10.247 411 3HG2 VAL 67 3HG2 VAL 67 6.097 -6.095 -11.084 412 H ARG 68 H ARG 68 6.235 -1.942 -10.906 413 HA ARG 68 HA ARG 68 8.554 -3.103 -12.413 414 1HB ARG 68 2HB ARG 68 8.035 -0.206 -11.697 415 2HB ARG 68 1HB ARG 68 9.222 -0.827 -12.842 416 1HG ARG 68 2HG ARG 68 6.268 -1.340 -13.207 417 2HG ARG 68 1HG ARG 68 7.032 0.126 -13.817 418 1HD ARG 68 2HD ARG 68 8.489 -1.116 -15.264 419 2HD ARG 68 1HD ARG 68 8.061 -2.649 -14.477 420 HE ARG 68 HE ARG 68 5.860 -2.519 -15.492 421 1HH1 ARG 68 1HH1 ARG 68 6.617 0.659 -15.549 422 2HH1 ARG 68 2HH1 ARG 68 6.303 0.931 -17.229 423 1HH2 ARG 68 1HH2 ARG 68 6.043 -2.438 -18.001 424 2HH2 ARG 68 2HH2 ARG 68 5.978 -0.820 -18.616 425 H LYS 69 H LYS 69 10.297 -3.633 -11.139 426 HA LYS 69 HA LYS 69 10.304 -3.593 -8.329 427 1HB LYS 69 2HB LYS 69 11.805 -4.815 -9.996 428 2HB LYS 69 1HB LYS 69 12.737 -3.322 -10.109 429 1HG LYS 69 2HG LYS 69 13.335 -3.401 -7.801 430 2HG LYS 69 1HG LYS 69 12.140 -4.654 -7.464 431 1HD LYS 69 2HD LYS 69 14.234 -5.789 -7.573 432 2HD LYS 69 1HD LYS 69 13.436 -6.125 -9.108 433 1HE LYS 69 2HE LYS 69 14.700 -4.019 -9.983 434 2HE LYS 69 1HE LYS 69 15.736 -4.254 -8.560 435 1HZ LYS 69 1HZ LYS 69 15.715 -6.704 -9.297 436 2HZ LYS 69 2HZ LYS 69 16.724 -5.619 -10.127 437 3HZ LYS 69 3HZ LYS 69 15.243 -6.097 -10.807 438 H SER 70 H SER 70 11.421 -1.124 -10.615 439 HA SER 70 HA SER 70 11.703 0.771 -8.310 440 1HB SER 70 2HB SER 70 13.739 1.558 -9.248 441 2HB SER 70 1HB SER 70 13.844 -0.195 -9.374 442 HG SER 70 HG SER 70 14.036 0.115 -11.436 443 H TYR 71 H TYR 71 10.873 2.844 -8.714 444 HA TYR 71 HA TYR 71 9.941 3.486 -11.473 445 1HB TYR 71 2HB TYR 71 7.686 3.829 -10.705 446 2HB TYR 71 1HB TYR 71 8.189 2.258 -10.079 447 HD1 TYR 71 HD1 TYR 71 7.757 5.846 -9.202 448 HD2 TYR 71 HD2 TYR 71 8.403 1.862 -7.728 449 HE1 TYR 71 HE1 TYR 71 7.355 6.638 -6.885 450 HE2 TYR 71 HE2 TYR 71 7.999 2.653 -5.410 451 HH TYR 71 HH TYR 71 6.560 5.549 -4.683 452 H THR 72 H THR 72 9.624 5.778 -11.794 453 HA THR 72 HA THR 72 11.315 7.493 -10.175 454 HB THR 72 HB THR 72 9.218 8.288 -12.210 455 HG1 THR 72 HG1 THR 72 11.638 6.923 -12.477 456 1HG2 THR 72 1HG2 THR 72 10.656 9.955 -10.799 457 2HG2 THR 72 2HG2 THR 72 10.520 10.205 -12.539 458 3HG2 THR 72 3HG2 THR 72 11.967 9.455 -11.866 459 H GLY 73 H GLY 73 10.699 8.497 -8.294 460 1HA GLY 73 2HA GLY 73 7.797 8.643 -7.661 461 2HA GLY 73 1HA GLY 73 9.107 8.788 -6.487 462 H SER 74 H SER 74 7.212 10.702 -6.351 463 HA SER 74 HA SER 74 8.631 13.151 -6.636 464 1HB SER 74 2HB SER 74 7.171 13.996 -8.603 465 2HB SER 74 1HB SER 74 8.495 12.903 -8.992 466 HG SER 74 HG SER 74 6.472 12.310 -9.961 467 H THR 75 H THR 75 7.588 14.539 -5.233 468 HA THR 75 HA THR 75 4.919 13.831 -4.231 469 HB THR 75 HB THR 75 5.430 15.808 -2.738 470 HG1 THR 75 HG1 THR 75 6.835 17.101 -3.602 471 1HG2 THR 75 1HG2 THR 75 7.154 13.395 -3.053 472 2HG2 THR 75 2HG2 THR 75 6.080 13.842 -1.728 473 3HG2 THR 75 3HG2 THR 75 7.652 14.622 -1.889 474 HA PRO 76 HA PRO 76 2.805 16.729 -6.761 475 1HB PRO 76 2HB PRO 76 0.458 16.818 -5.378 476 2HB PRO 76 1HB PRO 76 0.944 15.425 -6.361 477 1HG PRO 76 2HG PRO 76 0.930 15.741 -3.425 478 2HG PRO 76 1HG PRO 76 0.757 14.279 -4.407 479 1HD PRO 76 2HD PRO 76 3.080 15.123 -3.059 480 2HD PRO 76 1HD PRO 76 2.971 13.832 -4.277 481 H GLU 77 H GLU 77 3.358 17.264 -3.362 482 HA GLU 77 HA GLU 77 2.241 19.918 -3.151 483 1HB GLU 77 2HB GLU 77 3.176 18.022 -1.456 484 2HB GLU 77 1HB GLU 77 4.564 19.110 -1.493 485 1HG GLU 77 2HG GLU 77 2.674 20.961 -1.189 486 2HG GLU 77 1HG GLU 77 1.795 19.605 -0.482 487 H GLY 78 H GLY 78 5.685 18.990 -3.084 488 1HA GLY 78 2HA GLY 78 6.605 20.592 -5.198 489 2HA GLY 78 1HA GLY 78 6.581 21.637 -3.777 490 H THR 79 H THR 79 7.678 18.364 -4.706 491 HA THR 79 HA THR 79 10.370 18.884 -3.705 492 HB THR 79 HB THR 79 8.448 17.085 -2.196 493 HG1 THR 79 HG1 THR 79 8.200 18.836 -1.094 494 1HG2 THR 79 1HG2 THR 79 10.202 16.049 -1.219 495 2HG2 THR 79 2HG2 THR 79 11.099 17.558 -1.046 496 3HG2 THR 79 3HG2 THR 79 11.156 16.668 -2.568 497 HA PRO 80 HA PRO 80 10.076 15.633 -6.901 498 1HB PRO 80 2HB PRO 80 12.392 16.353 -8.168 499 2HB PRO 80 1HB PRO 80 10.826 17.120 -8.500 500 1HG PRO 80 2HG PRO 80 13.088 18.087 -6.823 501 2HG PRO 80 1HG PRO 80 12.007 18.993 -7.894 502 1HD PRO 80 2HD PRO 80 11.740 18.945 -5.174 503 2HD PRO 80 1HD PRO 80 10.383 19.209 -6.292 504 H VAL 81 H VAL 81 10.551 14.250 -4.936 505 HA VAL 81 HA VAL 81 13.023 13.820 -3.724 506 HB VAL 81 HB VAL 81 12.146 11.489 -3.431 507 1HG1 VAL 81 1HG1 VAL 81 9.648 12.823 -3.003 508 2HG1 VAL 81 2HG1 VAL 81 10.952 13.960 -2.663 509 3HG1 VAL 81 3HG1 VAL 81 10.885 12.415 -1.815 510 1HG2 VAL 81 1HG2 VAL 81 9.745 11.258 -4.454 511 2HG2 VAL 81 2HG2 VAL 81 11.144 10.920 -5.474 512 3HG2 VAL 81 3HG2 VAL 81 10.310 12.468 -5.605 513 H GLY 82 H GLY 82 11.847 12.432 -6.784 514 1HA GLY 82 2HA GLY 82 13.485 12.237 -8.644 515 2HA GLY 82 1HA GLY 82 14.673 11.755 -7.437 516 H SER 83 H SER 83 14.969 9.795 -8.756 517 HA SER 83 HA SER 83 12.942 7.904 -9.352 518 1HB SER 83 2HB SER 83 14.762 6.549 -9.891 519 2HB SER 83 1HB SER 83 15.521 8.138 -9.907 520 HG SER 83 HG SER 83 15.834 7.608 -7.529 521 H VAL 84 H VAL 84 12.790 5.693 -8.221 522 HA VAL 84 HA VAL 84 13.255 5.773 -5.292 523 HB VAL 84 HB VAL 84 10.567 5.685 -6.683 524 1HG1 VAL 84 1HG1 VAL 84 11.180 5.094 -3.770 525 2HG1 VAL 84 2HG1 VAL 84 10.717 3.885 -4.968 526 3HG1 VAL 84 3HG1 VAL 84 9.579 5.151 -4.507 527 1HG2 VAL 84 1HG2 VAL 84 10.299 7.406 -4.634 528 2HG2 VAL 84 2HG2 VAL 84 10.927 7.912 -6.202 529 3HG2 VAL 84 3HG2 VAL 84 12.039 7.555 -4.880 530 H ASP 85 H ASP 85 13.775 3.722 -4.592 531 HA ASP 85 HA ASP 85 13.272 1.456 -6.486 532 1HB ASP 85 2HB ASP 85 15.253 1.676 -4.199 533 2HB ASP 85 1HB ASP 85 15.260 0.491 -5.506 534 H CYS 86 H CYS 86 12.188 -0.376 -5.716 535 HA CYS 86 HA CYS 86 11.123 -0.205 -2.916 536 1HB CYS 86 2HB CYS 86 10.024 -1.001 -5.579 537 2HB CYS 86 1HB CYS 86 9.396 -1.832 -4.156 538 H ALA 87 H ALA 87 13.297 -1.870 -4.853 539 HA ALA 87 HA ALA 87 12.888 -4.607 -4.180 540 1HB ALA 87 1HB ALA 87 15.001 -4.867 -5.141 541 2HB ALA 87 2HB ALA 87 15.614 -3.375 -4.426 542 3HB ALA 87 3HB ALA 87 14.517 -3.306 -5.805 543 H THR 88 H THR 88 15.153 -2.269 -2.653 544 HA THR 88 HA THR 88 15.441 -4.055 -0.312 545 HB THR 88 HB THR 88 17.388 -2.933 -1.285 546 HG1 THR 88 HG1 THR 88 17.561 -3.157 0.895 547 1HG2 THR 88 1HG2 THR 88 17.437 -0.358 -0.944 548 2HG2 THR 88 2HG2 THR 88 15.680 -0.492 -0.865 549 3HG2 THR 88 3HG2 THR 88 16.538 -1.002 -2.320 550 H ALA 89 H ALA 89 13.540 -1.343 -1.268 551 HA ALA 89 HA ALA 89 12.954 -0.557 1.535 552 1HB ALA 89 1HB ALA 89 13.200 0.749 -0.954 553 2HB ALA 89 2HB ALA 89 12.706 1.474 0.576 554 3HB ALA 89 3HB ALA 89 11.489 0.842 -0.533 555 H ALA 90 H ALA 90 10.384 0.119 1.580 556 HA ALA 90 HA ALA 90 8.958 -2.444 1.101 557 1HB ALA 90 1HB ALA 90 8.851 -0.159 2.959 558 2HB ALA 90 2HB ALA 90 8.409 -1.845 3.232 559 3HB ALA 90 3HB ALA 90 7.264 -0.748 2.459 560 H CYS 91 H CYS 91 7.191 -2.591 -0.279 561 HA CYS 91 HA CYS 91 6.228 -0.094 -1.607 562 1HB CYS 91 2HB CYS 91 8.051 -1.836 -2.711 563 2HB CYS 91 1HB CYS 91 6.525 -2.459 -3.336 564 H ASN 92 H ASN 92 4.012 -0.077 -1.567 565 HA ASN 92 HA ASN 92 2.589 -2.716 -1.485 566 1HB ASN 92 2HB ASN 92 1.952 -0.160 0.022 567 2HB ASN 92 1HB ASN 92 1.070 -1.683 0.149 568 1HD2 ASN 92 1HD2 ASN 92 2.119 -0.757 2.518 569 2HD2 ASN 92 2HD2 ASN 92 3.489 -1.652 2.967 570 H LEU 93 H LEU 93 0.623 -2.777 -2.649 571 HA LEU 93 HA LEU 93 0.122 -0.410 -4.423 572 1HB LEU 93 2HB LEU 93 0.790 -2.281 -5.721 573 2HB LEU 93 1HB LEU 93 -0.116 -3.410 -4.716 574 HG LEU 93 HG LEU 93 -2.233 -2.267 -5.516 575 1HD1 LEU 93 1HD1 LEU 93 -1.227 -1.268 -7.974 576 2HD1 LEU 93 2HD1 LEU 93 -0.260 -0.536 -6.695 577 3HD1 LEU 93 3HD1 LEU 93 -2.015 -0.358 -6.687 578 1HD2 LEU 93 1HD2 LEU 93 -1.735 -4.367 -6.502 579 2HD2 LEU 93 2HD2 LEU 93 -0.362 -3.713 -7.395 580 3HD2 LEU 93 3HD2 LEU 93 -2.006 -3.291 -7.874 581 H GLY 94 H GLY 94 -1.605 0.709 -3.529 582 1HA GLY 94 2HA GLY 94 -3.832 -0.888 -2.345 583 2HA GLY 94 1HA GLY 94 -3.517 0.811 -1.996 584 H ALA 95 H ALA 95 -6.011 -0.379 -2.929 585 HA ALA 95 HA ALA 95 -6.364 1.286 -5.387 586 1HB ALA 95 1HB ALA 95 -7.065 -0.513 -6.634 587 2HB ALA 95 2HB ALA 95 -7.801 -1.311 -5.244 588 3HB ALA 95 3HB ALA 95 -6.059 -1.411 -5.496 589 H GLY 96 H GLY 96 -8.783 1.649 -5.776 590 1HA GLY 96 2HA GLY 96 -11.066 1.419 -4.731 591 2HA GLY 96 1HA GLY 96 -10.266 1.633 -3.174 592 H ASN 97 H ASN 97 -12.089 3.437 -3.306 593 HA ASN 97 HA ASN 97 -10.717 5.931 -4.189 594 1HB ASN 97 2HB ASN 97 -12.872 6.705 -5.112 595 2HB ASN 97 1HB ASN 97 -12.378 5.196 -5.877 596 1HD2 ASN 97 1HD2 ASN 97 -15.138 6.551 -4.978 597 2HD2 ASN 97 2HD2 ASN 97 -15.974 5.228 -4.320 598 H SER 98 H SER 98 -13.317 7.321 -3.412 599 HA SER 98 HA SER 98 -12.792 7.364 -0.485 600 1HB SER 98 2HB SER 98 -14.453 9.340 -2.009 601 2HB SER 98 1HB SER 98 -13.440 9.610 -0.596 602 HG SER 98 HG SER 98 -12.706 10.241 -2.876 603 H GLY 99 H GLY 99 -15.371 6.978 -2.870 604 1HA GLY 99 2HA GLY 99 -17.512 6.878 -0.921 605 2HA GLY 99 1HA GLY 99 -17.629 6.362 -2.604 606 H LEU 100 H LEU 100 -15.327 4.512 -2.345 607 HA LEU 100 HA LEU 100 -16.336 2.500 -0.398 608 1HB LEU 100 2HB LEU 100 -17.588 2.244 -2.531 609 2HB LEU 100 1HB LEU 100 -16.057 2.048 -3.385 610 HG LEU 100 HG LEU 100 -16.342 0.285 -1.053 611 1HD1 LEU 100 1HD1 LEU 100 -18.612 0.585 -2.710 612 2HD1 LEU 100 2HD1 LEU 100 -18.314 -0.692 -1.531 613 3HD1 LEU 100 3HD1 LEU 100 -17.834 -0.917 -3.213 614 1HD2 LEU 100 1HD2 LEU 100 -14.866 0.433 -3.420 615 2HD2 LEU 100 2HD2 LEU 100 -15.964 -0.923 -3.678 616 3HD2 LEU 100 3HD2 LEU 100 -14.881 -0.918 -2.286 617 H ASP 101 H ASP 101 -14.607 1.436 0.509 618 HA ASP 101 HA ASP 101 -11.919 1.863 -0.689 619 1HB ASP 101 2HB ASP 101 -13.121 1.448 1.965 620 2HB ASP 101 1HB ASP 101 -11.618 0.557 1.723 621 H LEU 102 H LEU 102 -10.705 0.151 -1.501 622 HA LEU 102 HA LEU 102 -12.074 -2.479 -1.728 623 1HB LEU 102 2HB LEU 102 -9.856 -1.012 -3.137 624 2HB LEU 102 1HB LEU 102 -10.041 -2.753 -3.356 625 HG LEU 102 HG LEU 102 -12.140 -0.636 -3.907 626 1HD1 LEU 102 1HD1 LEU 102 -11.749 -2.181 -6.170 627 2HD1 LEU 102 2HD1 LEU 102 -10.119 -2.029 -5.513 628 3HD1 LEU 102 3HD1 LEU 102 -11.054 -0.584 -5.894 629 1HD2 LEU 102 1HD2 LEU 102 -12.985 -3.072 -4.960 630 2HD2 LEU 102 2HD2 LEU 102 -13.613 -2.307 -3.501 631 3HD2 LEU 102 3HD2 LEU 102 -12.328 -3.508 -3.383 632 H GLY 103 H GLY 103 -8.590 -1.862 -1.681 633 1HA GLY 103 2HA GLY 103 -7.984 -2.754 0.928 634 2HA GLY 103 1HA GLY 103 -8.040 -4.189 -0.098 635 H HIS 104 H HIS 104 -5.662 -3.375 1.136 636 HA HIS 104 HA HIS 104 -4.046 -2.342 -1.173 637 1HB HIS 104 2HB HIS 104 -3.819 -2.073 1.831 638 2HB HIS 104 1HB HIS 104 -2.467 -1.701 0.764 639 HD1 HIS 104 HD1 HIS 104 -3.197 0.733 2.099 640 HD2 HIS 104 HD2 HIS 104 -5.475 -0.564 -1.140 641 HE1 HIS 104 HE1 HIS 104 -4.452 2.762 1.244 642 H VAL 105 H VAL 105 -2.714 -3.906 -2.033 643 HA VAL 105 HA VAL 105 -2.103 -6.318 -0.390 644 HB VAL 105 HB VAL 105 -2.137 -5.655 -3.340 645 1HG1 VAL 105 1HG1 VAL 105 -1.226 -8.267 -2.102 646 2HG1 VAL 105 2HG1 VAL 105 -0.121 -7.048 -2.735 647 3HG1 VAL 105 3HG1 VAL 105 -1.257 -7.855 -3.816 648 1HG2 VAL 105 1HG2 VAL 105 -4.263 -6.261 -2.180 649 2HG2 VAL 105 2HG2 VAL 105 -3.531 -7.789 -1.688 650 3HG2 VAL 105 3HG2 VAL 105 -3.803 -7.449 -3.398 651 H ALA 106 H ALA 106 -0.145 -6.211 0.636 652 HA ALA 106 HA ALA 106 1.960 -4.373 -0.089 653 1HB ALA 106 1HB ALA 106 1.945 -6.870 1.637 654 2HB ALA 106 2HB ALA 106 1.521 -5.248 2.183 655 3HB ALA 106 3HB ALA 106 3.173 -5.606 1.681 656 H LEU 107 H LEU 107 3.499 -4.646 -1.653 657 HA LEU 107 HA LEU 107 3.756 -7.303 -2.968 658 1HB LEU 107 2HB LEU 107 4.772 -4.535 -3.683 659 2HB LEU 107 1HB LEU 107 4.838 -5.954 -4.730 660 HG LEU 107 HG LEU 107 2.336 -4.609 -3.672 661 1HD1 LEU 107 1HD1 LEU 107 1.964 -4.427 -6.223 662 2HD1 LEU 107 2HD1 LEU 107 3.687 -4.778 -6.366 663 3HD1 LEU 107 3HD1 LEU 107 3.149 -3.341 -5.496 664 1HD2 LEU 107 1HD2 LEU 107 1.668 -6.474 -5.650 665 2HD2 LEU 107 2HD2 LEU 107 1.376 -6.641 -3.920 666 3HD2 LEU 107 3HD2 LEU 107 2.841 -7.315 -4.636 667 H THR 108 H THR 108 6.074 -7.874 -3.649 668 HA THR 108 HA THR 108 8.212 -6.853 -1.880 669 HB THR 108 HB THR 108 7.574 -9.798 -1.855 670 HG1 THR 108 HG1 THR 108 6.239 -9.469 -0.135 671 1HG2 THR 108 1HG2 THR 108 9.613 -8.217 -0.790 672 2HG2 THR 108 2HG2 THR 108 9.234 -9.878 -0.333 673 3HG2 THR 108 3HG2 THR 108 8.547 -8.534 0.579 674 H PHE 109 H PHE 109 10.338 -7.732 -2.532 675 HA PHE 109 HA PHE 109 10.327 -9.021 -5.236 676 1HB PHE 109 2HB PHE 109 11.765 -6.568 -4.210 677 2HB PHE 109 1HB PHE 109 12.301 -7.424 -5.657 678 HD1 PHE 109 HD1 PHE 109 9.662 -5.339 -4.177 679 HD2 PHE 109 HD2 PHE 109 10.901 -7.505 -7.675 680 HE1 PHE 109 HE1 PHE 109 7.921 -4.182 -5.512 681 HE2 PHE 109 HE2 PHE 109 9.160 -6.347 -9.008 682 HZ PHE 109 HZ PHE 109 7.667 -4.687 -7.927 683 H GLY 110 H GLY 110 11.164 -11.031 -4.679 684 1HA GLY 110 2HA GLY 110 13.895 -11.416 -4.182 685 2HA GLY 110 1HA GLY 110 13.119 -11.426 -2.597 Start of MODEL 6 1 1H ALA 1 1H ALA 1 -19.710 -3.696 -0.107 2 2H ALA 1 2H ALA 1 -20.704 -5.004 0.323 3 3H ALA 1 3H ALA 1 -20.062 -4.905 -1.246 4 HA ALA 1 HA ALA 1 -18.140 -4.931 0.958 5 1HB ALA 1 1HB ALA 1 -19.343 -7.509 0.011 6 2HB ALA 1 2HB ALA 1 -20.194 -6.580 1.246 7 3HB ALA 1 3HB ALA 1 -18.552 -7.148 1.544 8 HA PRO 2 HA PRO 2 -16.490 -5.323 -3.305 9 1HB PRO 2 2HB PRO 2 -14.349 -3.672 -2.897 10 2HB PRO 2 1HB PRO 2 -15.957 -3.077 -3.365 11 1HG PRO 2 2HG PRO 2 -14.646 -3.091 -0.693 12 2HG PRO 2 1HG PRO 2 -15.719 -1.885 -1.421 13 1HD PRO 2 2HD PRO 2 -16.520 -3.730 0.456 14 2HD PRO 2 1HD PRO 2 -17.609 -2.959 -0.718 15 H ALA 3 H ALA 3 -14.051 -5.909 -3.874 16 HA ALA 3 HA ALA 3 -12.695 -7.323 -1.628 17 1HB ALA 3 1HB ALA 3 -13.462 -8.663 -4.231 18 2HB ALA 3 2HB ALA 3 -14.426 -8.790 -2.762 19 3HB ALA 3 3HB ALA 3 -12.785 -9.432 -2.798 20 H PHE 4 H PHE 4 -10.456 -7.731 -2.058 21 HA PHE 4 HA PHE 4 -9.340 -6.903 -4.685 22 1HB PHE 4 2HB PHE 4 -9.579 -4.874 -3.243 23 2HB PHE 4 1HB PHE 4 -8.558 -5.652 -2.032 24 HD1 PHE 4 HD1 PHE 4 -8.613 -4.625 -5.622 25 HD2 PHE 4 HD2 PHE 4 -6.202 -5.488 -2.175 26 HE1 PHE 4 HE1 PHE 4 -6.599 -3.848 -6.838 27 HE2 PHE 4 HE2 PHE 4 -4.186 -4.708 -3.394 28 HZ PHE 4 HZ PHE 4 -4.386 -3.890 -5.726 29 H SER 5 H SER 5 -7.991 -8.609 -5.162 30 HA SER 5 HA SER 5 -6.048 -9.492 -3.091 31 1HB SER 5 2HB SER 5 -8.453 -10.804 -3.540 32 2HB SER 5 1HB SER 5 -7.301 -11.733 -4.494 33 HG SER 5 HG SER 5 -5.963 -11.634 -2.508 34 H VAL 6 H VAL 6 -4.174 -10.456 -4.011 35 HA VAL 6 HA VAL 6 -4.054 -10.508 -7.007 36 HB VAL 6 HB VAL 6 -3.081 -8.462 -5.759 37 1HG1 VAL 6 1HG1 VAL 6 -1.189 -8.699 -4.447 38 2HG1 VAL 6 2HG1 VAL 6 -0.680 -10.179 -5.259 39 3HG1 VAL 6 3HG1 VAL 6 -1.991 -10.227 -4.079 40 1HG2 VAL 6 1HG2 VAL 6 -0.764 -9.480 -7.174 41 2HG2 VAL 6 2HG2 VAL 6 -1.890 -8.212 -7.658 42 3HG2 VAL 6 3HG2 VAL 6 -2.245 -9.895 -8.033 43 H SER 7 H SER 7 -2.951 -12.301 -7.836 44 HA SER 7 HA SER 7 -2.395 -14.530 -6.075 45 1HB SER 7 2HB SER 7 -2.421 -13.872 -8.928 46 2HB SER 7 1HB SER 7 -1.175 -15.045 -8.512 47 HG SER 7 HG SER 7 -2.875 -16.328 -8.687 48 HA PRO 8 HA PRO 8 2.201 -13.701 -6.967 49 1HB PRO 8 2HB PRO 8 2.897 -11.588 -8.549 50 2HB PRO 8 1HB PRO 8 2.525 -13.196 -9.200 51 1HG PRO 8 2HG PRO 8 0.822 -10.760 -9.098 52 2HG PRO 8 1HG PRO 8 0.963 -11.984 -10.367 53 1HD PRO 8 2HD PRO 8 -1.100 -11.886 -8.567 54 2HD PRO 8 1HD PRO 8 -0.549 -13.373 -9.371 55 H ALA 9 H ALA 9 1.537 -12.906 -4.708 56 HA ALA 9 HA ALA 9 1.615 -9.979 -4.298 57 1HB ALA 9 1HB ALA 9 0.111 -10.926 -2.832 58 2HB ALA 9 2HB ALA 9 1.554 -11.071 -1.829 59 3HB ALA 9 3HB ALA 9 0.987 -12.454 -2.766 60 H SER 10 H SER 10 3.887 -12.440 -4.636 61 HA SER 10 HA SER 10 6.005 -10.742 -3.445 62 1HB SER 10 2HB SER 10 6.705 -12.398 -1.901 63 2HB SER 10 1HB SER 10 4.950 -12.406 -1.760 64 HG SER 10 HG SER 10 6.680 -14.247 -2.991 65 H GLY 11 H GLY 11 8.202 -11.649 -4.021 66 1HA GLY 11 2HA GLY 11 9.703 -12.491 -5.608 67 2HA GLY 11 1HA GLY 11 8.523 -13.767 -5.906 68 H LEU 12 H LEU 12 8.483 -10.224 -6.433 69 HA LEU 12 HA LEU 12 7.402 -10.739 -9.170 70 1HB LEU 12 2HB LEU 12 7.541 -8.245 -7.445 71 2HB LEU 12 1HB LEU 12 6.694 -8.375 -8.987 72 HG LEU 12 HG LEU 12 5.938 -10.513 -7.153 73 1HD1 LEU 12 1HD1 LEU 12 6.099 -9.156 -5.289 74 2HD1 LEU 12 2HD1 LEU 12 4.497 -8.685 -5.855 75 3HD1 LEU 12 3HD1 LEU 12 5.895 -7.672 -6.220 76 1HD2 LEU 12 1HD2 LEU 12 4.668 -9.953 -9.159 77 2HD2 LEU 12 2HD2 LEU 12 4.449 -8.296 -8.598 78 3HD2 LEU 12 3HD2 LEU 12 3.667 -9.627 -7.744 79 H SER 13 H SER 13 8.201 -9.005 -10.818 80 HA SER 13 HA SER 13 11.046 -8.260 -10.381 81 1HB SER 13 2HB SER 13 10.464 -10.580 -11.558 82 2HB SER 13 1HB SER 13 10.257 -9.539 -12.964 83 HG SER 13 HG SER 13 12.540 -9.610 -11.267 84 H ASP 14 H ASP 14 11.716 -6.481 -11.697 85 HA ASP 14 HA ASP 14 9.771 -4.548 -12.399 86 1HB ASP 14 2HB ASP 14 11.678 -3.398 -13.399 87 2HB ASP 14 1HB ASP 14 12.201 -4.205 -11.921 88 H GLY 15 H GLY 15 8.383 -4.518 -14.117 89 1HA GLY 15 2HA GLY 15 7.876 -4.565 -16.467 90 2HA GLY 15 1HA GLY 15 9.266 -5.615 -16.712 91 H GLN 16 H GLN 16 8.610 -7.428 -14.535 92 HA GLN 16 HA GLN 16 7.113 -9.403 -15.849 93 1HB GLN 16 2HB GLN 16 8.550 -9.492 -13.726 94 2HB GLN 16 1HB GLN 16 7.118 -8.933 -12.859 95 1HG GLN 16 2HG GLN 16 5.985 -10.939 -14.226 96 2HG GLN 16 1HG GLN 16 7.635 -11.563 -14.168 97 1HE2 GLN 16 1HE2 GLN 16 5.633 -9.732 -11.780 98 2HE2 GLN 16 2HE2 GLN 16 5.878 -10.837 -10.514 99 H SER 17 H SER 17 4.876 -10.115 -15.532 100 HA SER 17 HA SER 17 3.038 -7.832 -14.910 101 1HB SER 17 2HB SER 17 3.337 -9.543 -17.112 102 2HB SER 17 1HB SER 17 1.878 -10.103 -16.300 103 HG SER 17 HG SER 17 1.427 -8.422 -17.774 104 H VAL 18 H VAL 18 1.494 -8.106 -13.334 105 HA VAL 18 HA VAL 18 1.473 -10.705 -11.863 106 HB VAL 18 HB VAL 18 0.537 -9.190 -10.046 107 1HG1 VAL 18 1HG1 VAL 18 3.015 -9.791 -10.444 108 2HG1 VAL 18 2HG1 VAL 18 2.681 -8.384 -9.435 109 3HG1 VAL 18 3HG1 VAL 18 3.169 -8.168 -11.116 110 1HG2 VAL 18 1HG2 VAL 18 1.460 -6.949 -11.855 111 2HG2 VAL 18 2HG2 VAL 18 0.529 -6.832 -10.360 112 3HG2 VAL 18 3HG2 VAL 18 -0.223 -7.477 -11.820 113 H SER 19 H SER 19 -0.794 -11.031 -10.742 114 HA SER 19 HA SER 19 -2.935 -10.459 -12.766 115 1HB SER 19 2HB SER 19 -3.841 -12.683 -11.748 116 2HB SER 19 1HB SER 19 -2.485 -12.771 -12.867 117 HG SER 19 HG SER 19 -1.422 -13.642 -11.287 118 H VAL 20 H VAL 20 -4.435 -9.076 -11.916 119 HA VAL 20 HA VAL 20 -4.849 -9.097 -8.951 120 HB VAL 20 HB VAL 20 -5.080 -7.034 -11.141 121 1HG1 VAL 20 1HG1 VAL 20 -6.612 -7.235 -8.627 122 2HG1 VAL 20 2HG1 VAL 20 -6.925 -6.256 -10.059 123 3HG1 VAL 20 3HG1 VAL 20 -5.775 -5.699 -8.844 124 1HG2 VAL 20 1HG2 VAL 20 -3.556 -5.802 -9.676 125 2HG2 VAL 20 2HG2 VAL 20 -2.907 -7.412 -9.988 126 3HG2 VAL 20 3HG2 VAL 20 -3.688 -7.060 -8.447 127 H SER 21 H SER 21 -7.028 -9.065 -8.179 128 HA SER 21 HA SER 21 -9.178 -9.532 -10.195 129 1HB SER 21 2HB SER 21 -8.626 -11.308 -7.802 130 2HB SER 21 1HB SER 21 -9.846 -11.571 -9.045 131 HG SER 21 HG SER 21 -8.354 -12.359 -10.301 132 H VAL 22 H VAL 22 -10.947 -8.337 -9.635 133 HA VAL 22 HA VAL 22 -11.258 -7.511 -6.765 134 HB VAL 22 HB VAL 22 -12.040 -6.032 -9.298 135 1HG1 VAL 22 1HG1 VAL 22 -13.221 -5.628 -7.004 136 2HG1 VAL 22 2HG1 VAL 22 -12.631 -4.233 -7.908 137 3HG1 VAL 22 3HG1 VAL 22 -11.702 -4.857 -6.546 138 1HG2 VAL 22 1HG2 VAL 22 -9.637 -5.732 -7.469 139 2HG2 VAL 22 2HG2 VAL 22 -10.094 -4.559 -8.704 140 3HG2 VAL 22 3HG2 VAL 22 -9.614 -6.190 -9.172 141 H SER 23 H SER 23 -13.387 -7.632 -5.921 142 HA SER 23 HA SER 23 -15.605 -8.426 -7.725 143 1HB SER 23 2HB SER 23 -15.899 -10.331 -5.841 144 2HB SER 23 1HB SER 23 -14.951 -10.594 -7.302 145 HG SER 23 HG SER 23 -13.471 -11.036 -5.837 146 H GLY 24 H GLY 24 -17.579 -7.705 -6.916 147 1HA GLY 24 2HA GLY 24 -18.989 -7.375 -4.846 148 2HA GLY 24 1HA GLY 24 -17.573 -6.598 -4.137 149 H ALA 25 H ALA 25 -16.765 -4.621 -5.322 150 HA ALA 25 HA ALA 25 -18.702 -2.613 -5.569 151 1HB ALA 25 1HB ALA 25 -16.303 -2.202 -5.393 152 2HB ALA 25 2HB ALA 25 -16.899 -1.433 -6.864 153 3HB ALA 25 3HB ALA 25 -16.027 -2.963 -6.961 154 H ALA 26 H ALA 26 -20.298 -2.267 -7.095 155 HA ALA 26 HA ALA 26 -20.196 -3.833 -9.619 156 1HB ALA 26 1HB ALA 26 -22.314 -2.319 -8.094 157 2HB ALA 26 2HB ALA 26 -22.213 -4.058 -8.377 158 3HB ALA 26 3HB ALA 26 -22.610 -2.970 -9.708 159 H ALA 27 H ALA 27 -20.952 -2.728 -11.607 160 HA ALA 27 HA ALA 27 -19.339 -0.677 -12.502 161 1HB ALA 27 1HB ALA 27 -21.151 -0.325 -14.193 162 2HB ALA 27 2HB ALA 27 -22.221 -1.306 -13.192 163 3HB ALA 27 3HB ALA 27 -20.786 -2.028 -13.921 164 H GLY 28 H GLY 28 -19.339 1.535 -12.377 165 1HA GLY 28 2HA GLY 28 -20.730 3.618 -12.129 166 2HA GLY 28 1HA GLY 28 -21.505 2.801 -10.773 167 H GLU 29 H GLU 29 -18.224 2.023 -10.909 168 HA GLU 29 HA GLU 29 -17.399 4.339 -9.240 169 1HB GLU 29 2HB GLU 29 -17.593 1.444 -8.383 170 2HB GLU 29 1HB GLU 29 -16.600 2.621 -7.521 171 1HG GLU 29 2HG GLU 29 -19.565 2.948 -8.064 172 2HG GLU 29 1HG GLU 29 -18.884 2.390 -6.537 173 H THR 30 H THR 30 -15.432 4.928 -10.000 174 HA THR 30 HA THR 30 -13.720 2.876 -11.339 175 HB THR 30 HB THR 30 -13.762 5.915 -11.368 176 HG1 THR 30 HG1 THR 30 -14.518 5.554 -13.493 177 1HG2 THR 30 1HG2 THR 30 -11.611 4.247 -11.908 178 2HG2 THR 30 2HG2 THR 30 -11.806 5.899 -12.493 179 3HG2 THR 30 3HG2 THR 30 -12.311 4.543 -13.500 180 H TYR 31 H TYR 31 -11.936 2.184 -10.205 181 HA TYR 31 HA TYR 31 -11.029 3.838 -7.880 182 1HB TYR 31 2HB TYR 31 -10.542 0.906 -8.455 183 2HB TYR 31 1HB TYR 31 -10.361 1.739 -6.911 184 HD1 TYR 31 HD1 TYR 31 -12.641 3.284 -6.478 185 HD2 TYR 31 HD2 TYR 31 -12.416 -0.504 -8.477 186 HE1 TYR 31 HE1 TYR 31 -15.017 2.867 -5.948 187 HE2 TYR 31 HE2 TYR 31 -14.804 -0.926 -7.939 188 HH TYR 31 HH TYR 31 -16.431 0.260 -5.764 189 H TYR 32 H TYR 32 -8.560 3.327 -7.423 190 HA TYR 32 HA TYR 32 -7.070 3.440 -10.025 191 1HB TYR 32 2HB TYR 32 -6.529 4.970 -7.463 192 2HB TYR 32 1HB TYR 32 -5.699 5.182 -9.005 193 HD1 TYR 32 HD1 TYR 32 -6.501 6.751 -10.556 194 HD2 TYR 32 HD2 TYR 32 -9.125 5.284 -7.485 195 HE1 TYR 32 HE1 TYR 32 -8.244 8.363 -11.272 196 HE2 TYR 32 HE2 TYR 32 -10.868 6.897 -8.203 197 HH TYR 32 HH TYR 32 -10.454 9.474 -9.763 198 H ILE 33 H ILE 33 -5.876 1.566 -10.111 199 HA ILE 33 HA ILE 33 -4.806 0.399 -7.585 200 HB ILE 33 HB ILE 33 -6.089 -1.003 -9.172 201 1HG1 ILE 33 2HG1 ILE 33 -3.127 -1.683 -9.166 202 2HG1 ILE 33 1HG1 ILE 33 -4.238 -2.010 -7.837 203 1HG2 ILE 33 1HG2 ILE 33 -4.658 0.479 -11.087 204 2HG2 ILE 33 2HG2 ILE 33 -5.784 -0.842 -11.398 205 3HG2 ILE 33 3HG2 ILE 33 -4.059 -1.173 -11.235 206 1HD1 ILE 33 1HD1 ILE 33 -5.503 -3.040 -10.125 207 2HD1 ILE 33 2HD1 ILE 33 -4.740 -3.964 -8.831 208 3HD1 ILE 33 3HD1 ILE 33 -3.814 -3.527 -10.266 209 H ALA 34 H ALA 34 -2.889 1.497 -7.094 210 HA ALA 34 HA ALA 34 -0.745 1.390 -9.181 211 1HB ALA 34 1HB ALA 34 -2.151 3.669 -8.326 212 2HB ALA 34 2HB ALA 34 -0.657 3.647 -9.263 213 3HB ALA 34 3HB ALA 34 -0.594 3.756 -7.504 214 H GLN 35 H GLN 35 1.457 1.797 -8.130 215 HA GLN 35 HA GLN 35 1.556 0.435 -5.470 216 1HB GLN 35 2HB GLN 35 3.349 0.676 -7.876 217 2HB GLN 35 1HB GLN 35 4.030 0.210 -6.318 218 1HG GLN 35 2HG GLN 35 2.212 -1.575 -6.206 219 2HG GLN 35 1HG GLN 35 1.890 -1.217 -7.903 220 1HE2 GLN 35 1HE2 GLN 35 3.466 -1.896 -9.487 221 2HE2 GLN 35 2HE2 GLN 35 4.795 -2.871 -9.082 222 H CYS 36 H CYS 36 3.044 1.289 -3.858 223 HA CYS 36 HA CYS 36 4.191 3.990 -4.343 224 1HB CYS 36 2HB CYS 36 2.036 3.297 -2.339 225 2HB CYS 36 1HB CYS 36 2.981 4.782 -2.261 226 H ALA 37 H ALA 37 5.892 4.482 -2.871 227 HA ALA 37 HA ALA 37 6.448 2.618 -0.631 228 1HB ALA 37 1HB ALA 37 8.007 1.459 -1.772 229 2HB ALA 37 2HB ALA 37 8.835 2.953 -2.211 230 3HB ALA 37 3HB ALA 37 7.536 2.331 -3.231 231 HA PRO 38 HA PRO 38 8.276 6.211 1.110 232 1HB PRO 38 2HB PRO 38 10.321 5.177 2.593 233 2HB PRO 38 1HB PRO 38 8.613 4.982 3.039 234 1HG PRO 38 2HG PRO 38 10.460 3.047 1.736 235 2HG PRO 38 1HG PRO 38 9.183 2.764 2.929 236 1HD PRO 38 2HD PRO 38 8.914 2.268 0.239 237 2HD PRO 38 1HD PRO 38 7.554 2.603 1.333 238 H VAL 39 H VAL 39 10.540 7.324 1.395 239 HA VAL 39 HA VAL 39 12.410 6.552 -0.802 240 HB VAL 39 HB VAL 39 12.399 9.303 -0.951 241 1HG1 VAL 39 1HG1 VAL 39 10.344 7.989 -2.619 242 2HG1 VAL 39 2HG1 VAL 39 11.923 7.203 -2.625 243 3HG1 VAL 39 3HG1 VAL 39 11.777 8.895 -3.100 244 1HG2 VAL 39 1HG2 VAL 39 10.004 9.982 -1.059 245 2HG2 VAL 39 2HG2 VAL 39 10.476 9.509 0.573 246 3HG2 VAL 39 3HG2 VAL 39 9.541 8.399 -0.431 247 H GLY 40 H GLY 40 13.162 5.901 1.621 248 1HA GLY 40 2HA GLY 40 15.030 6.164 3.042 249 2HA GLY 40 1HA GLY 40 15.420 7.649 2.179 250 H GLY 41 H GLY 41 12.297 8.151 2.954 251 1HA GLY 41 2HA GLY 41 12.279 8.580 5.764 252 2HA GLY 41 1HA GLY 41 12.858 10.054 4.997 253 H GLN 42 H GLN 42 11.377 10.429 2.840 254 HA GLN 42 HA GLN 42 8.686 10.927 3.926 255 1HB GLN 42 2HB GLN 42 10.399 11.779 1.659 256 2HB GLN 42 1HB GLN 42 8.662 11.809 1.355 257 1HG GLN 42 2HG GLN 42 9.401 13.969 2.260 258 2HG GLN 42 1HG GLN 42 8.338 13.157 3.409 259 1HE2 GLN 42 1HE2 GLN 42 9.323 12.233 5.359 260 2HE2 GLN 42 2HE2 GLN 42 10.887 12.678 5.845 261 H ASP 43 H ASP 43 7.059 10.704 1.733 262 HA ASP 43 HA ASP 43 7.124 7.768 1.111 263 1HB ASP 43 2HB ASP 43 4.602 8.082 1.046 264 2HB ASP 43 1HB ASP 43 5.335 8.324 2.632 265 H ALA 44 H ALA 44 5.940 7.253 -0.982 266 HA ALA 44 HA ALA 44 5.768 9.469 -2.937 267 1HB ALA 44 1HB ALA 44 7.577 7.114 -3.475 268 2HB ALA 44 2HB ALA 44 8.179 8.559 -2.664 269 3HB ALA 44 3HB ALA 44 7.535 8.670 -4.302 270 H CYS 45 H CYS 45 4.733 8.762 -4.947 271 HA CYS 45 HA CYS 45 3.526 6.032 -4.882 272 1HB CYS 45 2HB CYS 45 2.251 8.677 -4.565 273 2HB CYS 45 1HB CYS 45 1.463 7.627 -5.744 274 H ASN 46 H ASN 46 2.590 5.450 -7.041 275 HA ASN 46 HA ASN 46 4.318 6.376 -9.219 276 1HB ASN 46 2HB ASN 46 2.465 4.193 -8.577 277 2HB ASN 46 1HB ASN 46 2.382 4.700 -10.266 278 1HD2 ASN 46 1HD2 ASN 46 4.943 5.310 -10.970 279 2HD2 ASN 46 2HD2 ASN 46 5.989 3.998 -10.712 280 HA PRO 47 HA PRO 47 1.230 9.335 -10.464 281 1HB PRO 47 2HB PRO 47 2.792 10.636 -12.282 282 2HB PRO 47 1HB PRO 47 2.932 10.889 -10.531 283 1HG PRO 47 2HG PRO 47 4.716 9.425 -12.361 284 2HG PRO 47 1HG PRO 47 5.069 10.187 -10.805 285 1HD PRO 47 2HD PRO 47 4.666 7.422 -11.304 286 2HD PRO 47 1HD PRO 47 4.845 8.215 -9.725 287 H ALA 48 H ALA 48 3.316 8.565 -13.246 288 HA ALA 48 HA ALA 48 1.198 8.412 -15.146 289 1HB ALA 48 1HB ALA 48 3.943 8.425 -15.128 290 2HB ALA 48 2HB ALA 48 2.964 8.116 -16.562 291 3HB ALA 48 3HB ALA 48 3.601 6.767 -15.621 292 H THR 49 H THR 49 3.167 5.704 -13.929 293 HA THR 49 HA THR 49 1.689 3.553 -14.890 294 HB THR 49 HB THR 49 2.434 2.727 -12.363 295 HG1 THR 49 HG1 THR 49 3.109 4.980 -12.064 296 1HG2 THR 49 1HG2 THR 49 3.466 1.461 -13.934 297 2HG2 THR 49 2HG2 THR 49 4.792 2.611 -13.759 298 3HG2 THR 49 3HG2 THR 49 3.613 2.813 -15.057 299 H ALA 50 H ALA 50 0.737 5.805 -12.381 300 HA ALA 50 HA ALA 50 -1.204 4.208 -11.017 301 1HB ALA 50 1HB ALA 50 -1.941 7.001 -11.327 302 2HB ALA 50 2HB ALA 50 -0.214 6.836 -11.022 303 3HB ALA 50 3HB ALA 50 -1.375 6.159 -9.884 304 H THR 51 H THR 51 -2.696 3.085 -12.276 305 HA THR 51 HA THR 51 -4.145 4.602 -14.395 306 HB THR 51 HB THR 51 -2.900 2.617 -15.110 307 HG1 THR 51 HG1 THR 51 -4.568 2.456 -16.360 308 1HG2 THR 51 1HG2 THR 51 -2.643 1.004 -13.561 309 2HG2 THR 51 2HG2 THR 51 -4.265 0.469 -13.998 310 3HG2 THR 51 3HG2 THR 51 -4.036 1.570 -12.639 311 H SER 52 H SER 52 -6.391 4.752 -14.279 312 HA SER 52 HA SER 52 -7.658 3.745 -11.765 313 1HB SER 52 2HB SER 52 -9.119 5.622 -12.004 314 2HB SER 52 1HB SER 52 -7.515 6.225 -12.417 315 HG SER 52 HG SER 52 -8.049 5.939 -14.607 316 H PHE 53 H PHE 53 -8.910 1.934 -12.061 317 HA PHE 53 HA PHE 53 -10.082 1.465 -14.773 318 1HB PHE 53 2HB PHE 53 -10.137 -0.878 -14.052 319 2HB PHE 53 1HB PHE 53 -8.527 -0.214 -13.783 320 HD1 PHE 53 HD1 PHE 53 -11.634 -1.361 -12.181 321 HD2 PHE 53 HD2 PHE 53 -7.713 0.266 -11.527 322 HE1 PHE 53 HE1 PHE 53 -11.800 -1.931 -9.774 323 HE2 PHE 53 HE2 PHE 53 -7.879 -0.301 -9.118 324 HZ PHE 53 HZ PHE 53 -9.924 -1.401 -8.242 325 H THR 54 H THR 54 -12.210 -0.009 -14.393 326 HA THR 54 HA THR 54 -13.877 1.209 -12.251 327 HB THR 54 HB THR 54 -14.319 1.181 -15.239 328 HG1 THR 54 HG1 THR 54 -13.719 3.148 -14.914 329 1HG2 THR 54 1HG2 THR 54 -16.280 0.897 -13.111 330 2HG2 THR 54 2HG2 THR 54 -16.505 0.803 -14.859 331 3HG2 THR 54 3HG2 THR 54 -16.546 2.369 -14.048 332 H THR 55 H THR 55 -15.518 -0.197 -11.487 333 HA THR 55 HA THR 55 -15.142 -3.006 -11.749 334 HB THR 55 HB THR 55 -17.714 -2.823 -10.951 335 HG1 THR 55 HG1 THR 55 -18.285 -0.825 -10.920 336 1HG2 THR 55 1HG2 THR 55 -16.622 -2.028 -8.675 337 2HG2 THR 55 2HG2 THR 55 -15.122 -2.250 -9.573 338 3HG2 THR 55 3HG2 THR 55 -16.229 -3.606 -9.356 339 H ASP 56 H ASP 56 -17.791 -4.007 -12.355 340 HA ASP 56 HA ASP 56 -18.243 -3.188 -15.200 341 1HB ASP 56 2HB ASP 56 -17.211 -5.789 -14.124 342 2HB ASP 56 1HB ASP 56 -18.230 -5.815 -15.563 343 H ALA 57 H ALA 57 -19.994 -5.298 -15.860 344 HA ALA 57 HA ALA 57 -22.437 -4.484 -14.650 345 1HB ALA 57 1HB ALA 57 -23.374 -6.127 -16.061 346 2HB ALA 57 2HB ALA 57 -21.988 -7.201 -15.868 347 3HB ALA 57 3HB ALA 57 -21.851 -5.755 -16.869 348 H SER 58 H SER 58 -20.478 -7.401 -14.142 349 HA SER 58 HA SER 58 -22.105 -8.192 -11.819 350 1HB SER 58 2HB SER 58 -20.199 -9.992 -11.851 351 2HB SER 58 1HB SER 58 -21.378 -9.986 -13.159 352 HG SER 58 HG SER 58 -19.540 -9.928 -14.262 353 H GLY 59 H GLY 59 -20.092 -5.749 -12.127 354 1HA GLY 59 2HA GLY 59 -18.633 -4.591 -10.704 355 2HA GLY 59 1HA GLY 59 -19.371 -5.515 -9.396 356 H ALA 60 H ALA 60 -17.714 -7.047 -12.077 357 HA ALA 60 HA ALA 60 -15.632 -7.992 -10.146 358 1HB ALA 60 1HB ALA 60 -16.032 -10.038 -11.034 359 2HB ALA 60 2HB ALA 60 -15.863 -9.419 -12.678 360 3HB ALA 60 3HB ALA 60 -17.417 -9.313 -11.849 361 H ALA 61 H ALA 61 -13.677 -7.007 -10.448 362 HA ALA 61 HA ALA 61 -12.949 -6.125 -13.220 363 1HB ALA 61 1HB ALA 61 -11.399 -4.658 -11.499 364 2HB ALA 61 2HB ALA 61 -12.859 -4.895 -10.538 365 3HB ALA 61 3HB ALA 61 -12.961 -4.126 -12.123 366 H SER 62 H SER 62 -12.014 -8.338 -13.499 367 HA SER 62 HA SER 62 -9.465 -8.754 -11.972 368 1HB SER 62 2HB SER 62 -10.909 -10.773 -13.688 369 2HB SER 62 1HB SER 62 -9.818 -11.070 -12.337 370 HG SER 62 HG SER 62 -11.388 -10.410 -10.937 371 H PHE 63 H PHE 63 -7.637 -8.265 -13.135 372 HA PHE 63 HA PHE 63 -7.496 -8.956 -16.005 373 1HB PHE 63 2HB PHE 63 -6.922 -6.550 -16.553 374 2HB PHE 63 1HB PHE 63 -8.599 -6.815 -16.082 375 HD1 PHE 63 HD1 PHE 63 -5.547 -5.060 -15.334 376 HD2 PHE 63 HD2 PHE 63 -9.247 -6.427 -13.632 377 HE1 PHE 63 HE1 PHE 63 -5.283 -3.448 -13.466 378 HE2 PHE 63 HE2 PHE 63 -8.984 -4.817 -11.764 379 HZ PHE 63 HZ PHE 63 -7.003 -3.325 -11.679 380 H SER 64 H SER 64 -5.252 -8.050 -16.851 381 HA SER 64 HA SER 64 -3.210 -8.962 -14.912 382 1HB SER 64 2HB SER 64 -3.615 -9.425 -17.534 383 2HB SER 64 1HB SER 64 -2.552 -8.027 -17.666 384 HG SER 64 HG SER 64 -1.842 -10.004 -15.838 385 H PHE 65 H PHE 65 -1.688 -7.616 -13.997 386 HA PHE 65 HA PHE 65 -1.705 -4.720 -14.802 387 1HB PHE 65 2HB PHE 65 -2.806 -5.198 -12.632 388 2HB PHE 65 1HB PHE 65 -1.348 -6.017 -12.076 389 HD1 PHE 65 HD1 PHE 65 -2.421 -2.734 -13.543 390 HD2 PHE 65 HD2 PHE 65 0.233 -4.803 -10.874 391 HE1 PHE 65 HE1 PHE 65 -1.465 -0.567 -12.811 392 HE2 PHE 65 HE2 PHE 65 1.186 -2.637 -10.144 393 HZ PHE 65 HZ PHE 65 0.337 -0.524 -11.111 394 H VAL 66 H VAL 66 0.509 -3.702 -13.829 395 HA VAL 66 HA VAL 66 2.719 -5.638 -14.458 396 HB VAL 66 HB VAL 66 2.722 -2.659 -14.929 397 1HG1 VAL 66 1HG1 VAL 66 4.288 -3.840 -16.832 398 2HG1 VAL 66 2HG1 VAL 66 4.516 -4.938 -15.471 399 3HG1 VAL 66 3HG1 VAL 66 4.894 -3.224 -15.293 400 1HG2 VAL 66 1HG2 VAL 66 1.519 -4.886 -16.531 401 2HG2 VAL 66 2HG2 VAL 66 2.338 -3.588 -17.398 402 3HG2 VAL 66 3HG2 VAL 66 0.972 -3.220 -16.348 403 H VAL 67 H VAL 67 4.771 -5.184 -13.366 404 HA VAL 67 HA VAL 67 4.567 -3.441 -10.933 405 HB VAL 67 HB VAL 67 5.639 -5.328 -9.674 406 1HG1 VAL 67 1HG1 VAL 67 3.079 -6.240 -10.995 407 2HG1 VAL 67 2HG1 VAL 67 3.114 -4.901 -9.846 408 3HG1 VAL 67 3HG1 VAL 67 3.608 -6.516 -9.335 409 1HG2 VAL 67 1HG2 VAL 67 5.058 -6.823 -12.250 410 2HG2 VAL 67 2HG2 VAL 67 5.569 -7.574 -10.740 411 3HG2 VAL 67 3HG2 VAL 67 6.654 -6.477 -11.590 412 H ARG 68 H ARG 68 6.328 -2.096 -10.882 413 HA ARG 68 HA ARG 68 8.811 -2.983 -12.309 414 1HB ARG 68 2HB ARG 68 7.789 -0.194 -11.717 415 2HB ARG 68 1HB ARG 68 9.152 -0.613 -12.757 416 1HG ARG 68 2HG ARG 68 6.488 -1.843 -13.348 417 2HG ARG 68 1HG ARG 68 6.748 -0.156 -13.789 418 1HD ARG 68 2HD ARG 68 8.891 -2.115 -14.524 419 2HD ARG 68 1HD ARG 68 7.396 -2.114 -15.481 420 HE ARG 68 HE ARG 68 9.386 -0.051 -15.562 421 1HH1 ARG 68 1HH1 ARG 68 6.958 -0.693 -17.413 422 2HH1 ARG 68 2HH1 ARG 68 6.121 0.820 -17.340 423 1HH2 ARG 68 1HH2 ARG 68 7.892 1.967 -14.587 424 2HH2 ARG 68 2HH2 ARG 68 6.650 2.328 -15.740 425 H LYS 69 H LYS 69 10.533 -3.360 -10.953 426 HA LYS 69 HA LYS 69 10.527 -3.069 -8.154 427 1HB LYS 69 2HB LYS 69 12.121 -4.413 -9.481 428 2HB LYS 69 1HB LYS 69 12.831 -2.933 -10.129 429 1HG LYS 69 2HG LYS 69 12.671 -3.052 -7.178 430 2HG LYS 69 1HG LYS 69 13.769 -4.218 -7.916 431 1HD LYS 69 2HD LYS 69 14.212 -1.802 -9.293 432 2HD LYS 69 1HD LYS 69 14.108 -1.363 -7.587 433 1HE LYS 69 2HE LYS 69 16.347 -1.959 -7.651 434 2HE LYS 69 1HE LYS 69 15.661 -3.573 -7.377 435 1HZ LYS 69 1HZ LYS 69 17.180 -3.385 -9.353 436 2HZ LYS 69 2HZ LYS 69 15.999 -2.404 -10.081 437 3HZ LYS 69 3HZ LYS 69 15.643 -4.017 -9.682 438 H SER 70 H SER 70 12.252 -0.967 -10.473 439 HA SER 70 HA SER 70 12.098 1.247 -8.462 440 1HB SER 70 2HB SER 70 13.937 2.095 -10.178 441 2HB SER 70 1HB SER 70 14.347 0.896 -8.955 442 HG SER 70 HG SER 70 13.491 0.337 -11.612 443 H TYR 71 H TYR 71 10.713 2.904 -8.960 444 HA TYR 71 HA TYR 71 10.106 3.451 -11.839 445 1HB TYR 71 2HB TYR 71 7.724 3.474 -11.288 446 2HB TYR 71 1HB TYR 71 8.413 1.932 -10.779 447 HD1 TYR 71 HD1 TYR 71 7.156 5.211 -9.633 448 HD2 TYR 71 HD2 TYR 71 8.704 1.387 -8.422 449 HE1 TYR 71 HE1 TYR 71 6.463 5.671 -7.297 450 HE2 TYR 71 HE2 TYR 71 8.008 1.850 -6.085 451 HH TYR 71 HH TYR 71 5.945 4.468 -5.257 452 H THR 72 H THR 72 9.084 5.629 -12.100 453 HA THR 72 HA THR 72 10.440 7.667 -10.597 454 HB THR 72 HB THR 72 7.910 8.179 -12.116 455 HG1 THR 72 HG1 THR 72 10.257 6.976 -13.087 456 1HG2 THR 72 1HG2 THR 72 8.836 10.225 -12.037 457 2HG2 THR 72 2HG2 THR 72 10.101 9.629 -13.113 458 3HG2 THR 72 3HG2 THR 72 10.332 9.573 -11.366 459 H GLY 73 H GLY 73 9.891 8.411 -8.578 460 1HA GLY 73 2HA GLY 73 7.179 7.789 -7.540 461 2HA GLY 73 1HA GLY 73 8.571 8.243 -6.556 462 H SER 74 H SER 74 6.172 9.529 -6.163 463 HA SER 74 HA SER 74 6.879 12.300 -6.436 464 1HB SER 74 2HB SER 74 5.225 12.906 -8.162 465 2HB SER 74 1HB SER 74 6.388 11.751 -8.805 466 HG SER 74 HG SER 74 4.887 10.155 -8.635 467 H THR 75 H THR 75 5.756 13.299 -4.791 468 HA THR 75 HA THR 75 4.049 12.114 -2.982 469 HB THR 75 HB THR 75 3.269 14.449 -2.551 470 HG1 THR 75 HG1 THR 75 3.260 15.748 -4.176 471 1HG2 THR 75 1HG2 THR 75 6.010 15.114 -3.025 472 2HG2 THR 75 2HG2 THR 75 5.915 13.422 -2.538 473 3HG2 THR 75 3HG2 THR 75 5.236 14.678 -1.503 474 HA PRO 76 HA PRO 76 0.257 11.421 -5.055 475 1HB PRO 76 2HB PRO 76 -1.458 11.473 -2.933 476 2HB PRO 76 1HB PRO 76 -0.340 10.131 -3.237 477 1HG PRO 76 2HG PRO 76 -0.128 12.360 -1.286 478 2HG PRO 76 1HG PRO 76 0.380 10.671 -1.135 479 1HD PRO 76 2HD PRO 76 2.087 12.768 -1.667 480 2HD PRO 76 1HD PRO 76 2.417 11.071 -2.079 481 H GLU 77 H GLU 77 1.113 14.353 -3.740 482 HA GLU 77 HA GLU 77 -1.503 15.671 -4.118 483 1HB GLU 77 2HB GLU 77 1.194 16.354 -3.002 484 2HB GLU 77 1HB GLU 77 0.090 17.659 -3.439 485 1HG GLU 77 2HG GLU 77 -0.864 17.367 -1.413 486 2HG GLU 77 1HG GLU 77 -1.525 15.862 -2.053 487 H GLY 78 H GLY 78 1.831 16.048 -5.354 488 1HA GLY 78 2HA GLY 78 1.327 16.157 -8.068 489 2HA GLY 78 1HA GLY 78 0.953 17.791 -7.517 490 H THR 79 H THR 79 3.069 17.477 -5.347 491 HA THR 79 HA THR 79 5.260 18.653 -6.823 492 HB THR 79 HB THR 79 4.807 17.654 -4.010 493 HG1 THR 79 HG1 THR 79 4.656 19.792 -3.597 494 1HG2 THR 79 1HG2 THR 79 7.311 18.899 -5.175 495 2HG2 THR 79 2HG2 THR 79 7.171 17.306 -4.428 496 3HG2 THR 79 3HG2 THR 79 6.987 18.761 -3.448 497 HA PRO 80 HA PRO 80 7.166 14.815 -7.958 498 1HB PRO 80 2HB PRO 80 9.474 15.872 -8.973 499 2HB PRO 80 1HB PRO 80 7.930 15.918 -9.846 500 1HG PRO 80 2HG PRO 80 9.297 18.065 -8.310 501 2HG PRO 80 1HG PRO 80 8.342 18.172 -9.797 502 1HD PRO 80 2HD PRO 80 7.396 18.842 -7.300 503 2HD PRO 80 1HD PRO 80 6.366 18.349 -8.662 504 H VAL 81 H VAL 81 8.617 13.455 -6.875 505 HA VAL 81 HA VAL 81 10.287 14.737 -4.737 506 HB VAL 81 HB VAL 81 8.234 13.312 -4.156 507 1HG1 VAL 81 1HG1 VAL 81 8.091 11.189 -4.907 508 2HG1 VAL 81 2HG1 VAL 81 9.743 10.832 -4.403 509 3HG1 VAL 81 3HG1 VAL 81 9.440 11.566 -5.977 510 1HG2 VAL 81 1HG2 VAL 81 9.576 13.557 -2.303 511 2HG2 VAL 81 2HG2 VAL 81 11.021 12.999 -3.146 512 3HG2 VAL 81 3HG2 VAL 81 9.831 11.832 -2.568 513 H GLY 82 H GLY 82 10.423 13.084 -7.658 514 1HA GLY 82 2HA GLY 82 12.646 12.692 -8.644 515 2HA GLY 82 1HA GLY 82 13.184 12.155 -7.055 516 H SER 83 H SER 83 13.867 10.127 -8.017 517 HA SER 83 HA SER 83 11.695 8.364 -9.040 518 1HB SER 83 2HB SER 83 13.373 7.632 -10.359 519 2HB SER 83 1HB SER 83 14.424 8.836 -9.623 520 HG SER 83 HG SER 83 15.036 7.330 -8.098 521 H VAL 84 H VAL 84 12.002 5.977 -8.254 522 HA VAL 84 HA VAL 84 12.793 5.831 -5.382 523 HB VAL 84 HB VAL 84 10.098 5.026 -6.525 524 1HG1 VAL 84 1HG1 VAL 84 10.153 3.637 -4.728 525 2HG1 VAL 84 2HG1 VAL 84 9.876 5.105 -3.789 526 3HG1 VAL 84 3HG1 VAL 84 11.515 4.486 -3.998 527 1HG2 VAL 84 1HG2 VAL 84 10.274 7.451 -6.373 528 2HG2 VAL 84 2HG2 VAL 84 10.936 7.334 -4.742 529 3HG2 VAL 84 3HG2 VAL 84 9.261 6.874 -5.048 530 H ASP 85 H ASP 85 13.170 3.624 -4.687 531 HA ASP 85 HA ASP 85 13.199 1.584 -6.877 532 1HB ASP 85 2HB ASP 85 15.396 2.302 -4.910 533 2HB ASP 85 1HB ASP 85 15.465 0.949 -6.039 534 H CYS 86 H CYS 86 12.342 -0.350 -6.192 535 HA CYS 86 HA CYS 86 11.614 -0.637 -3.332 536 1HB CYS 86 2HB CYS 86 10.893 -1.967 -5.944 537 2HB CYS 86 1HB CYS 86 10.428 -2.695 -4.409 538 H ALA 87 H ALA 87 14.436 -0.903 -4.184 539 HA ALA 87 HA ALA 87 15.043 -3.783 -4.096 540 1HB ALA 87 1HB ALA 87 17.056 -3.067 -4.899 541 2HB ALA 87 2HB ALA 87 17.172 -1.772 -3.708 542 3HB ALA 87 3HB ALA 87 16.206 -1.546 -5.166 543 H THR 88 H THR 88 16.068 -0.992 -2.076 544 HA THR 88 HA THR 88 16.636 -2.814 0.176 545 HB THR 88 HB THR 88 18.167 -0.999 -0.376 546 HG1 THR 88 HG1 THR 88 16.746 -0.200 1.930 547 1HG2 THR 88 1HG2 THR 88 16.962 0.666 -1.445 548 2HG2 THR 88 2HG2 THR 88 17.156 1.387 0.153 549 3HG2 THR 88 3HG2 THR 88 15.638 0.598 -0.281 550 H ALA 89 H ALA 89 14.111 -0.640 -0.861 551 HA ALA 89 HA ALA 89 12.835 -0.785 1.829 552 1HB ALA 89 1HB ALA 89 11.875 0.929 -0.432 553 2HB ALA 89 2HB ALA 89 13.374 1.374 0.385 554 3HB ALA 89 3HB ALA 89 11.869 1.266 1.299 555 H ALA 90 H ALA 90 10.252 -0.673 1.422 556 HA ALA 90 HA ALA 90 9.597 -2.833 -0.554 557 1HB ALA 90 1HB ALA 90 8.448 -2.308 2.205 558 2HB ALA 90 2HB ALA 90 9.634 -3.557 1.823 559 3HB ALA 90 3HB ALA 90 8.009 -3.645 1.144 560 H CYS 91 H CYS 91 7.581 -2.604 -1.630 561 HA CYS 91 HA CYS 91 6.174 0.005 -1.183 562 1HB CYS 91 2HB CYS 91 5.787 -0.409 -3.828 563 2HB CYS 91 1HB CYS 91 7.178 0.467 -3.211 564 H ASN 92 H ASN 92 3.977 -0.170 -0.980 565 HA ASN 92 HA ASN 92 2.777 -2.882 -1.278 566 1HB ASN 92 2HB ASN 92 1.985 -0.319 0.132 567 2HB ASN 92 1HB ASN 92 0.945 -1.742 0.070 568 1HD2 ASN 92 1HD2 ASN 92 1.169 -1.997 2.438 569 2HD2 ASN 92 2HD2 ASN 92 2.600 -2.623 3.102 570 H LEU 93 H LEU 93 0.924 -3.188 -2.582 571 HA LEU 93 HA LEU 93 0.414 -1.009 -4.572 572 1HB LEU 93 2HB LEU 93 1.185 -3.009 -5.602 573 2HB LEU 93 1HB LEU 93 0.204 -4.024 -4.547 574 HG LEU 93 HG LEU 93 -1.843 -2.950 -5.607 575 1HD1 LEU 93 1HD1 LEU 93 0.295 -1.479 -6.928 576 2HD1 LEU 93 2HD1 LEU 93 -1.436 -1.142 -6.895 577 3HD1 LEU 93 3HD1 LEU 93 -0.778 -2.252 -8.097 578 1HD2 LEU 93 1HD2 LEU 93 -1.416 -5.140 -6.330 579 2HD2 LEU 93 2HD2 LEU 93 0.119 -4.696 -7.078 580 3HD2 LEU 93 3HD2 LEU 93 -1.401 -4.236 -7.845 581 H GLY 94 H GLY 94 -1.388 0.161 -3.933 582 1HA GLY 94 2HA GLY 94 -3.674 -1.384 -2.770 583 2HA GLY 94 1HA GLY 94 -3.357 0.312 -2.410 584 H ALA 95 H ALA 95 -5.808 -0.835 -3.502 585 HA ALA 95 HA ALA 95 -5.889 0.717 -6.073 586 1HB ALA 95 1HB ALA 95 -7.501 -1.783 -5.619 587 2HB ALA 95 2HB ALA 95 -5.814 -1.909 -6.117 588 3HB ALA 95 3HB ALA 95 -6.976 -1.066 -7.143 589 H GLY 96 H GLY 96 -7.089 2.483 -5.364 590 1HA GLY 96 2HA GLY 96 -9.890 2.204 -4.899 591 2HA GLY 96 1HA GLY 96 -9.086 2.453 -3.348 592 H ASN 97 H ASN 97 -10.778 4.420 -4.012 593 HA ASN 97 HA ASN 97 -9.091 6.585 -5.189 594 1HB ASN 97 2HB ASN 97 -11.183 7.594 -5.854 595 2HB ASN 97 1HB ASN 97 -11.256 5.891 -6.304 596 1HD2 ASN 97 1HD2 ASN 97 -12.699 8.349 -4.295 597 2HD2 ASN 97 2HD2 ASN 97 -13.854 7.350 -3.555 598 H SER 98 H SER 98 -10.766 8.696 -4.185 599 HA SER 98 HA SER 98 -9.800 8.784 -1.394 600 1HB SER 98 2HB SER 98 -10.743 10.688 -3.492 601 2HB SER 98 1HB SER 98 -10.851 11.197 -1.809 602 HG SER 98 HG SER 98 -8.826 11.701 -2.856 603 H GLY 99 H GLY 99 -11.820 6.942 -1.497 604 1HA GLY 99 2HA GLY 99 -13.709 7.843 0.393 605 2HA GLY 99 1HA GLY 99 -14.467 8.003 -1.192 606 H LEU 100 H LEU 100 -13.023 5.694 -2.315 607 HA LEU 100 HA LEU 100 -14.506 3.513 -0.883 608 1HB LEU 100 2HB LEU 100 -14.668 4.532 -3.510 609 2HB LEU 100 1HB LEU 100 -13.852 2.973 -3.652 610 HG LEU 100 HG LEU 100 -16.478 3.461 -2.219 611 1HD1 LEU 100 1HD1 LEU 100 -16.341 3.496 -4.817 612 2HD1 LEU 100 2HD1 LEU 100 -17.557 2.475 -4.051 613 3HD1 LEU 100 3HD1 LEU 100 -16.065 1.761 -4.663 614 1HD2 LEU 100 1HD2 LEU 100 -15.309 1.670 -1.126 615 2HD2 LEU 100 2HD2 LEU 100 -14.795 0.986 -2.667 616 3HD2 LEU 100 3HD2 LEU 100 -16.493 0.918 -2.195 617 H ASP 101 H ASP 101 -12.555 3.037 0.405 618 HA ASP 101 HA ASP 101 -10.085 2.275 -0.993 619 1HB ASP 101 2HB ASP 101 -11.110 2.447 1.824 620 2HB ASP 101 1HB ASP 101 -9.635 1.532 1.504 621 H LEU 102 H LEU 102 -9.984 0.304 -1.996 622 HA LEU 102 HA LEU 102 -11.801 -1.879 -1.273 623 1HB LEU 102 2HB LEU 102 -9.487 -1.619 -3.212 624 2HB LEU 102 1HB LEU 102 -10.601 -2.986 -3.157 625 HG LEU 102 HG LEU 102 -11.489 -0.118 -3.551 626 1HD1 LEU 102 1HD1 LEU 102 -10.137 -1.811 -5.380 627 2HD1 LEU 102 2HD1 LEU 102 -10.950 -0.285 -5.728 628 3HD1 LEU 102 3HD1 LEU 102 -11.835 -1.805 -5.860 629 1HD2 LEU 102 1HD2 LEU 102 -13.153 -1.723 -2.615 630 2HD2 LEU 102 2HD2 LEU 102 -12.896 -2.769 -4.010 631 3HD2 LEU 102 3HD2 LEU 102 -13.598 -1.166 -4.227 632 H GLY 103 H GLY 103 -8.293 -2.069 -1.805 633 1HA GLY 103 2HA GLY 103 -7.743 -2.990 0.890 634 2HA GLY 103 1HA GLY 103 -7.785 -4.320 -0.266 635 H HIS 104 H HIS 104 -5.426 -3.974 0.924 636 HA HIS 104 HA HIS 104 -3.721 -2.754 -1.212 637 1HB HIS 104 2HB HIS 104 -3.754 -2.345 1.770 638 2HB HIS 104 1HB HIS 104 -2.250 -2.142 0.873 639 HD1 HIS 104 HD1 HIS 104 -1.890 0.215 0.198 640 HD2 HIS 104 HD2 HIS 104 -5.945 -0.749 0.241 641 HE1 HIS 104 HE1 HIS 104 -3.134 2.315 -0.484 642 H VAL 105 H VAL 105 -2.368 -4.350 -1.973 643 HA VAL 105 HA VAL 105 -1.685 -6.617 -0.143 644 HB VAL 105 HB VAL 105 -1.634 -6.491 -3.170 645 1HG1 VAL 105 1HG1 VAL 105 -1.164 -8.579 -1.096 646 2HG1 VAL 105 2HG1 VAL 105 -0.433 -8.394 -2.690 647 3HG1 VAL 105 3HG1 VAL 105 -2.052 -9.075 -2.537 648 1HG2 VAL 105 1HG2 VAL 105 -3.834 -7.389 -3.198 649 2HG2 VAL 105 2HG2 VAL 105 -3.910 -6.078 -2.022 650 3HG2 VAL 105 3HG2 VAL 105 -3.796 -7.749 -1.472 651 H ALA 106 H ALA 106 0.317 -6.127 0.726 652 HA ALA 106 HA ALA 106 2.326 -4.484 -0.412 653 1HB ALA 106 1HB ALA 106 3.366 -6.678 1.186 654 2HB ALA 106 2HB ALA 106 1.875 -6.042 1.880 655 3HB ALA 106 3HB ALA 106 3.244 -4.968 1.598 656 H LEU 107 H LEU 107 4.175 -4.972 -1.673 657 HA LEU 107 HA LEU 107 4.129 -7.647 -3.036 658 1HB LEU 107 2HB LEU 107 5.240 -5.017 -4.049 659 2HB LEU 107 1HB LEU 107 4.907 -6.470 -4.990 660 HG LEU 107 HG LEU 107 2.804 -4.835 -3.541 661 1HD1 LEU 107 1HD1 LEU 107 4.040 -4.609 -6.202 662 2HD1 LEU 107 2HD1 LEU 107 3.077 -3.435 -5.307 663 3HD1 LEU 107 3HD1 LEU 107 2.279 -4.699 -6.243 664 1HD2 LEU 107 1HD2 LEU 107 2.435 -6.979 -5.644 665 2HD2 LEU 107 2HD2 LEU 107 1.211 -6.275 -4.586 666 3HD2 LEU 107 3HD2 LEU 107 2.443 -7.347 -3.920 667 H THR 108 H THR 108 6.090 -8.786 -3.117 668 HA THR 108 HA THR 108 8.371 -7.572 -1.599 669 HB THR 108 HB THR 108 7.902 -10.497 -2.186 670 HG1 THR 108 HG1 THR 108 6.523 -10.602 -0.549 671 1HG2 THR 108 1HG2 THR 108 10.089 -9.748 -1.256 672 2HG2 THR 108 2HG2 THR 108 9.206 -10.802 -0.151 673 3HG2 THR 108 3HG2 THR 108 9.233 -9.059 0.124 674 H PHE 109 H PHE 109 10.568 -8.313 -2.381 675 HA PHE 109 HA PHE 109 10.638 -8.960 -5.300 676 1HB PHE 109 2HB PHE 109 11.421 -6.493 -3.872 677 2HB PHE 109 1HB PHE 109 12.628 -7.097 -5.008 678 HD1 PHE 109 HD1 PHE 109 12.176 -7.203 -7.398 679 HD2 PHE 109 HD2 PHE 109 9.194 -5.804 -4.642 680 HE1 PHE 109 HE1 PHE 109 10.853 -6.302 -9.289 681 HE2 PHE 109 HE2 PHE 109 7.867 -4.904 -6.534 682 HZ PHE 109 HZ PHE 109 8.696 -5.154 -8.859 683 H GLY 110 H GLY 110 11.569 -11.025 -4.895 684 1HA GLY 110 2HA GLY 110 14.167 -11.596 -4.914 685 2HA GLY 110 1HA GLY 110 14.014 -11.140 -3.217 Start of MODEL 7 1 1H ALA 1 1H ALA 1 -13.247 -5.194 2.237 2 2H ALA 1 2H ALA 1 -13.470 -4.957 3.903 3 3H ALA 1 3H ALA 1 -14.007 -3.786 2.799 4 HA ALA 1 HA ALA 1 -15.390 -6.065 3.779 5 1HB ALA 1 1HB ALA 1 -16.674 -4.169 3.728 6 2HB ALA 1 2HB ALA 1 -17.034 -4.687 2.082 7 3HB ALA 1 3HB ALA 1 -15.779 -3.485 2.372 8 HA PRO 2 HA PRO 2 -15.959 -7.192 -0.828 9 1HB PRO 2 2HB PRO 2 -14.499 -5.818 -2.690 10 2HB PRO 2 1HB PRO 2 -16.104 -5.296 -2.139 11 1HG PRO 2 2HG PRO 2 -13.415 -4.294 -1.346 12 2HG PRO 2 1HG PRO 2 -14.925 -3.403 -1.593 13 1HD PRO 2 2HD PRO 2 -13.943 -4.069 0.875 14 2HD PRO 2 1HD PRO 2 -15.668 -3.815 0.533 15 H ALA 3 H ALA 3 -14.006 -7.620 -2.846 16 HA ALA 3 HA ALA 3 -11.764 -8.867 -1.285 17 1HB ALA 3 1HB ALA 3 -13.640 -10.348 -2.228 18 2HB ALA 3 2HB ALA 3 -11.993 -10.798 -2.671 19 3HB ALA 3 3HB ALA 3 -13.012 -9.936 -3.823 20 H PHE 4 H PHE 4 -9.770 -8.227 -1.963 21 HA PHE 4 HA PHE 4 -9.328 -7.461 -4.799 22 1HB PHE 4 2HB PHE 4 -10.034 -5.400 -3.696 23 2HB PHE 4 1HB PHE 4 -8.888 -5.674 -2.382 24 HD1 PHE 4 HD1 PHE 4 -6.658 -4.883 -2.547 25 HD2 PHE 4 HD2 PHE 4 -9.087 -5.166 -6.079 26 HE1 PHE 4 HE1 PHE 4 -4.896 -3.728 -3.856 27 HE2 PHE 4 HE2 PHE 4 -7.329 -4.012 -7.386 28 HZ PHE 4 HZ PHE 4 -5.233 -3.293 -6.275 29 H SER 5 H SER 5 -7.708 -9.033 -5.136 30 HA SER 5 HA SER 5 -5.233 -8.677 -3.530 31 1HB SER 5 2HB SER 5 -7.139 -10.649 -2.992 32 2HB SER 5 1HB SER 5 -5.860 -11.490 -3.860 33 HG SER 5 HG SER 5 -5.859 -10.311 -1.360 34 H VAL 6 H VAL 6 -3.342 -9.649 -4.546 35 HA VAL 6 HA VAL 6 -3.670 -10.036 -7.500 36 HB VAL 6 HB VAL 6 -2.238 -8.177 -6.501 37 1HG1 VAL 6 1HG1 VAL 6 -1.411 -9.722 -4.631 38 2HG1 VAL 6 2HG1 VAL 6 -0.180 -8.737 -5.419 39 3HG1 VAL 6 3HG1 VAL 6 -0.343 -10.443 -5.835 40 1HG2 VAL 6 1HG2 VAL 6 -0.333 -8.604 -8.037 41 2HG2 VAL 6 2HG2 VAL 6 -1.873 -8.998 -8.801 42 3HG2 VAL 6 3HG2 VAL 6 -0.839 -10.286 -8.184 43 H SER 7 H SER 7 -2.946 -11.985 -8.426 44 HA SER 7 HA SER 7 -2.769 -14.328 -6.870 45 1HB SER 7 2HB SER 7 -2.104 -13.469 -9.630 46 2HB SER 7 1HB SER 7 -1.379 -14.984 -9.099 47 HG SER 7 HG SER 7 -3.911 -14.471 -9.828 48 HA PRO 8 HA PRO 8 1.923 -14.282 -6.748 49 1HB PRO 8 2HB PRO 8 3.410 -12.683 -8.366 50 2HB PRO 8 1HB PRO 8 2.771 -14.248 -8.903 51 1HG PRO 8 2HG PRO 8 1.800 -11.507 -9.506 52 2HG PRO 8 1HG PRO 8 1.806 -12.954 -10.525 53 1HD PRO 8 2HD PRO 8 -0.411 -11.971 -9.180 54 2HD PRO 8 1HD PRO 8 -0.213 -13.633 -9.769 55 H ALA 9 H ALA 9 1.085 -12.981 -4.801 56 HA ALA 9 HA ALA 9 1.450 -10.101 -4.731 57 1HB ALA 9 1HB ALA 9 -0.090 -11.483 -3.307 58 2HB ALA 9 2HB ALA 9 0.945 -10.405 -2.368 59 3HB ALA 9 3HB ALA 9 1.326 -12.124 -2.477 60 H SER 10 H SER 10 3.554 -12.834 -4.310 61 HA SER 10 HA SER 10 5.769 -10.968 -3.534 62 1HB SER 10 2HB SER 10 5.226 -12.084 -1.524 63 2HB SER 10 1HB SER 10 4.883 -13.599 -2.352 64 HG SER 10 HG SER 10 6.896 -13.754 -1.391 65 H GLY 11 H GLY 11 7.707 -11.373 -4.633 66 1HA GLY 11 2HA GLY 11 9.263 -12.675 -5.911 67 2HA GLY 11 1HA GLY 11 8.015 -13.901 -6.132 68 H LEU 12 H LEU 12 8.443 -10.432 -6.944 69 HA LEU 12 HA LEU 12 7.295 -11.061 -9.647 70 1HB LEU 12 2HB LEU 12 7.303 -8.448 -8.101 71 2HB LEU 12 1HB LEU 12 6.417 -8.787 -9.588 72 HG LEU 12 HG LEU 12 5.929 -10.647 -7.323 73 1HD1 LEU 12 1HD1 LEU 12 5.021 -9.160 -5.877 74 2HD1 LEU 12 2HD1 LEU 12 4.235 -8.261 -7.175 75 3HD1 LEU 12 3HD1 LEU 12 5.918 -7.928 -6.765 76 1HD2 LEU 12 1HD2 LEU 12 3.884 -10.904 -8.367 77 2HD2 LEU 12 2HD2 LEU 12 4.840 -10.383 -9.750 78 3HD2 LEU 12 3HD2 LEU 12 3.819 -9.226 -8.895 79 H SER 13 H SER 13 8.128 -9.461 -11.360 80 HA SER 13 HA SER 13 11.004 -8.804 -10.869 81 1HB SER 13 2HB SER 13 10.310 -10.830 -12.342 82 2HB SER 13 1HB SER 13 9.828 -9.615 -13.522 83 HG SER 13 HG SER 13 12.130 -10.525 -13.436 84 H ASP 14 H ASP 14 11.809 -6.976 -12.178 85 HA ASP 14 HA ASP 14 10.050 -4.722 -12.242 86 1HB ASP 14 2HB ASP 14 12.005 -3.758 -13.585 87 2HB ASP 14 1HB ASP 14 12.418 -4.438 -12.010 88 H GLY 15 H GLY 15 8.509 -4.223 -13.752 89 1HA GLY 15 2HA GLY 15 7.678 -3.871 -15.966 90 2HA GLY 15 1HA GLY 15 8.967 -4.903 -16.580 91 H GLN 16 H GLN 16 8.388 -7.006 -14.582 92 HA GLN 16 HA GLN 16 6.845 -8.804 -15.989 93 1HB GLN 16 2HB GLN 16 8.042 -9.476 -14.039 94 2HB GLN 16 1HB GLN 16 7.189 -8.311 -13.027 95 1HG GLN 16 2HG GLN 16 6.227 -10.461 -12.561 96 2HG GLN 16 1HG GLN 16 5.055 -9.585 -13.545 97 1HE2 GLN 16 1HE2 GLN 16 4.488 -12.097 -13.858 98 2HE2 GLN 16 2HE2 GLN 16 5.202 -12.822 -15.216 99 H SER 17 H SER 17 4.602 -9.474 -15.832 100 HA SER 17 HA SER 17 2.755 -7.214 -15.194 101 1HB SER 17 2HB SER 17 2.879 -9.431 -17.185 102 2HB SER 17 1HB SER 17 1.281 -8.914 -16.662 103 HG SER 17 HG SER 17 2.085 -7.737 -18.483 104 H VAL 18 H VAL 18 1.227 -7.532 -13.595 105 HA VAL 18 HA VAL 18 1.148 -10.227 -12.298 106 HB VAL 18 HB VAL 18 0.471 -8.880 -10.301 107 1HG1 VAL 18 1HG1 VAL 18 2.670 -7.805 -9.974 108 2HG1 VAL 18 2HG1 VAL 18 2.985 -7.923 -11.707 109 3HG1 VAL 18 3HG1 VAL 18 2.851 -9.386 -10.733 110 1HG2 VAL 18 1HG2 VAL 18 1.201 -6.416 -11.869 111 2HG2 VAL 18 2HG2 VAL 18 0.258 -6.545 -10.386 112 3HG2 VAL 18 3HG2 VAL 18 -0.452 -7.024 -11.925 113 H SER 19 H SER 19 -0.968 -11.003 -11.638 114 HA SER 19 HA SER 19 -3.169 -9.834 -13.282 115 1HB SER 19 2HB SER 19 -2.435 -12.543 -12.248 116 2HB SER 19 1HB SER 19 -4.124 -12.202 -12.603 117 HG SER 19 HG SER 19 -2.727 -13.050 -14.367 118 H VAL 20 H VAL 20 -4.639 -8.669 -12.171 119 HA VAL 20 HA VAL 20 -4.836 -8.977 -9.233 120 HB VAL 20 HB VAL 20 -5.642 -6.926 -11.297 121 1HG1 VAL 20 1HG1 VAL 20 -7.529 -7.206 -9.701 122 2HG1 VAL 20 2HG1 VAL 20 -6.741 -5.640 -9.520 123 3HG1 VAL 20 3HG1 VAL 20 -6.417 -6.929 -8.362 124 1HG2 VAL 20 1HG2 VAL 20 -4.390 -5.645 -9.231 125 2HG2 VAL 20 2HG2 VAL 20 -3.552 -6.281 -10.647 126 3HG2 VAL 20 3HG2 VAL 20 -3.617 -7.228 -9.161 127 H SER 21 H SER 21 -6.905 -9.350 -8.269 128 HA SER 21 HA SER 21 -9.113 -10.132 -10.113 129 1HB SER 21 2HB SER 21 -8.169 -12.234 -9.773 130 2HB SER 21 1HB SER 21 -7.554 -11.818 -8.178 131 HG SER 21 HG SER 21 -9.375 -12.468 -7.346 132 H VAL 22 H VAL 22 -10.889 -9.065 -9.393 133 HA VAL 22 HA VAL 22 -11.099 -8.470 -6.463 134 HB VAL 22 HB VAL 22 -12.295 -7.047 -8.856 135 1HG1 VAL 22 1HG1 VAL 22 -12.609 -5.215 -7.172 136 2HG1 VAL 22 2HG1 VAL 22 -12.083 -6.340 -5.919 137 3HG1 VAL 22 3HG1 VAL 22 -13.563 -6.656 -6.825 138 1HG2 VAL 22 1HG2 VAL 22 -10.347 -5.461 -7.531 139 2HG2 VAL 22 2HG2 VAL 22 -10.262 -6.120 -9.165 140 3HG2 VAL 22 3HG2 VAL 22 -9.611 -7.040 -7.808 141 H SER 23 H SER 23 -13.050 -9.013 -5.442 142 HA SER 23 HA SER 23 -15.388 -9.845 -7.007 143 1HB SER 23 2HB SER 23 -15.019 -12.106 -5.492 144 2HB SER 23 1HB SER 23 -14.605 -11.961 -7.196 145 HG SER 23 HG SER 23 -12.951 -12.571 -5.390 146 H GLY 24 H GLY 24 -16.760 -8.589 -5.811 147 1HA GLY 24 2HA GLY 24 -17.956 -9.323 -3.472 148 2HA GLY 24 1HA GLY 24 -16.545 -8.433 -2.892 149 H ALA 25 H ALA 25 -16.312 -6.410 -4.729 150 HA ALA 25 HA ALA 25 -18.222 -4.491 -3.879 151 1HB ALA 25 1HB ALA 25 -16.486 -4.603 -6.367 152 2HB ALA 25 2HB ALA 25 -15.964 -4.034 -4.782 153 3HB ALA 25 3HB ALA 25 -17.186 -3.140 -5.679 154 H ALA 26 H ALA 26 -18.829 -3.379 -6.598 155 HA ALA 26 HA ALA 26 -20.425 -5.315 -8.040 156 1HB ALA 26 1HB ALA 26 -21.947 -3.361 -6.302 157 2HB ALA 26 2HB ALA 26 -21.598 -5.013 -5.792 158 3HB ALA 26 3HB ALA 26 -22.602 -4.721 -7.212 159 H ALA 27 H ALA 27 -21.835 -4.250 -9.655 160 HA ALA 27 HA ALA 27 -20.547 -2.348 -11.225 161 1HB ALA 27 1HB ALA 27 -22.291 -3.030 -12.463 162 2HB ALA 27 2HB ALA 27 -23.348 -1.999 -11.501 163 3HB ALA 27 3HB ALA 27 -23.080 -3.676 -11.026 164 H GLY 28 H GLY 28 -20.433 -0.137 -11.250 165 1HA GLY 28 2HA GLY 28 -21.207 2.092 -10.754 166 2HA GLY 28 1HA GLY 28 -22.190 1.425 -9.452 167 H GLU 29 H GLU 29 -18.873 0.391 -9.804 168 HA GLU 29 HA GLU 29 -18.040 2.228 -7.617 169 1HB GLU 29 2HB GLU 29 -18.683 -0.577 -7.487 170 2HB GLU 29 1HB GLU 29 -16.981 -0.336 -7.110 171 1HG GLU 29 2HG GLU 29 -17.442 1.051 -5.275 172 2HG GLU 29 1HG GLU 29 -19.053 1.451 -5.868 173 H THR 30 H THR 30 -16.413 3.281 -8.739 174 HA THR 30 HA THR 30 -14.498 1.650 -10.335 175 HB THR 30 HB THR 30 -14.916 4.647 -10.142 176 HG1 THR 30 HG1 THR 30 -16.302 4.437 -11.766 177 1HG2 THR 30 1HG2 THR 30 -12.696 3.636 -11.013 178 2HG2 THR 30 2HG2 THR 30 -13.512 4.835 -12.019 179 3HG2 THR 30 3HG2 THR 30 -13.651 3.119 -12.404 180 H TYR 31 H TYR 31 -12.225 1.873 -9.905 181 HA TYR 31 HA TYR 31 -11.467 3.317 -7.411 182 1HB TYR 31 2HB TYR 31 -10.699 0.463 -8.095 183 2HB TYR 31 1HB TYR 31 -10.378 1.315 -6.583 184 HD1 TYR 31 HD1 TYR 31 -12.448 2.220 -5.291 185 HD2 TYR 31 HD2 TYR 31 -12.663 -0.824 -8.315 186 HE1 TYR 31 HE1 TYR 31 -14.624 1.468 -4.386 187 HE2 TYR 31 HE2 TYR 31 -14.854 -1.578 -7.404 188 HH TYR 31 HH TYR 31 -15.957 -1.412 -4.958 189 H TYR 32 H TYR 32 -9.031 3.492 -7.249 190 HA TYR 32 HA TYR 32 -7.805 3.683 -9.980 191 1HB TYR 32 2HB TYR 32 -7.164 5.152 -7.403 192 2HB TYR 32 1HB TYR 32 -6.508 5.514 -9.000 193 HD1 TYR 32 HD1 TYR 32 -8.724 5.403 -10.808 194 HD2 TYR 32 HD2 TYR 32 -8.643 6.838 -6.760 195 HE1 TYR 32 HE1 TYR 32 -10.678 6.855 -11.284 196 HE2 TYR 32 HE2 TYR 32 -10.597 8.290 -7.234 197 HH TYR 32 HH TYR 32 -12.603 8.130 -9.071 198 H ILE 33 H ILE 33 -6.486 1.880 -10.252 199 HA ILE 33 HA ILE 33 -5.113 0.700 -7.905 200 HB ILE 33 HB ILE 33 -6.293 -0.633 -9.676 201 1HG1 ILE 33 2HG1 ILE 33 -3.452 -1.426 -10.003 202 2HG1 ILE 33 1HG1 ILE 33 -4.005 -1.233 -8.339 203 1HG2 ILE 33 1HG2 ILE 33 -4.074 -0.396 -11.576 204 2HG2 ILE 33 2HG2 ILE 33 -5.004 1.093 -11.407 205 3HG2 ILE 33 3HG2 ILE 33 -5.813 -0.403 -11.871 206 1HD1 ILE 33 1HD1 ILE 33 -4.332 -3.528 -9.703 207 2HD1 ILE 33 2HD1 ILE 33 -5.816 -2.704 -10.182 208 3HD1 ILE 33 3HD1 ILE 33 -5.476 -2.986 -8.476 209 H ALA 34 H ALA 34 -3.244 1.718 -7.306 210 HA ALA 34 HA ALA 34 -1.204 2.254 -9.415 211 1HB ALA 34 1HB ALA 34 -1.305 4.500 -9.110 212 2HB ALA 34 2HB ALA 34 -1.361 4.330 -7.355 213 3HB ALA 34 3HB ALA 34 -2.844 4.204 -8.300 214 H GLN 35 H GLN 35 0.981 2.452 -8.480 215 HA GLN 35 HA GLN 35 1.212 1.056 -5.839 216 1HB GLN 35 2HB GLN 35 2.013 0.139 -8.178 217 2HB GLN 35 1HB GLN 35 3.377 1.222 -7.910 218 1HG GLN 35 2HG GLN 35 3.514 0.116 -5.564 219 2HG GLN 35 1HG GLN 35 2.517 -1.156 -6.277 220 1HE2 GLN 35 1HE2 GLN 35 3.801 -2.840 -7.035 221 2HE2 GLN 35 2HE2 GLN 35 5.329 -2.662 -7.747 222 H CYS 36 H CYS 36 2.721 1.883 -4.317 223 HA CYS 36 HA CYS 36 4.296 4.303 -4.989 224 1HB CYS 36 2HB CYS 36 1.930 4.189 -3.105 225 2HB CYS 36 1HB CYS 36 3.148 5.458 -2.994 226 H ALA 37 H ALA 37 5.766 4.886 -3.153 227 HA ALA 37 HA ALA 37 6.030 2.870 -0.982 228 1HB ALA 37 1HB ALA 37 8.237 2.224 -1.670 229 2HB ALA 37 2HB ALA 37 8.307 3.514 -2.871 230 3HB ALA 37 3HB ALA 37 7.234 2.136 -3.117 231 HA PRO 38 HA PRO 38 7.514 6.382 1.206 232 1HB PRO 38 2HB PRO 38 9.186 5.228 3.031 233 2HB PRO 38 1HB PRO 38 7.418 5.091 3.123 234 1HG PRO 38 2HG PRO 38 9.418 3.120 2.136 235 2HG PRO 38 1HG PRO 38 7.926 2.851 3.052 236 1HD PRO 38 2HD PRO 38 8.157 2.438 0.349 237 2HD PRO 38 1HD PRO 38 6.626 2.817 1.168 238 H VAL 39 H VAL 39 9.674 7.466 1.901 239 HA VAL 39 HA VAL 39 12.021 6.584 0.317 240 HB VAL 39 HB VAL 39 12.128 8.838 -0.752 241 1HG1 VAL 39 1HG1 VAL 39 10.477 8.393 -2.417 242 2HG1 VAL 39 2HG1 VAL 39 9.432 7.564 -1.263 243 3HG1 VAL 39 3HG1 VAL 39 10.941 6.813 -1.784 244 1HG2 VAL 39 1HG2 VAL 39 10.570 9.711 1.204 245 2HG2 VAL 39 2HG2 VAL 39 9.288 9.288 0.071 246 3HG2 VAL 39 3HG2 VAL 39 10.519 10.463 -0.390 247 H GLY 40 H GLY 40 12.336 6.362 2.859 248 1HA GLY 40 2HA GLY 40 13.640 7.072 4.679 249 2HA GLY 40 1HA GLY 40 14.218 8.389 3.660 250 H GLY 41 H GLY 41 10.863 7.714 4.649 251 1HA GLY 41 2HA GLY 41 9.760 8.921 6.473 252 2HA GLY 41 1HA GLY 41 10.925 10.220 6.246 253 H GLN 42 H GLN 42 10.764 10.340 3.376 254 HA GLN 42 HA GLN 42 8.319 11.946 3.127 255 1HB GLN 42 2HB GLN 42 10.880 11.551 1.775 256 2HB GLN 42 1HB GLN 42 9.548 11.683 0.625 257 1HG GLN 42 2HG GLN 42 8.995 13.840 1.291 258 2HG GLN 42 1HG GLN 42 9.706 13.636 2.892 259 1HE2 GLN 42 1HE2 GLN 42 10.242 15.201 -0.006 260 2HE2 GLN 42 2HE2 GLN 42 11.933 15.342 0.062 261 H ASP 43 H ASP 43 7.341 11.521 0.644 262 HA ASP 43 HA ASP 43 6.735 8.595 0.452 263 1HB ASP 43 2HB ASP 43 4.359 9.152 0.278 264 2HB ASP 43 1HB ASP 43 5.010 9.851 1.762 265 H ALA 44 H ALA 44 6.710 7.872 -1.646 266 HA ALA 44 HA ALA 44 6.709 9.909 -3.850 267 1HB ALA 44 1HB ALA 44 8.315 8.315 -4.953 268 2HB ALA 44 2HB ALA 44 8.295 7.345 -3.481 269 3HB ALA 44 3HB ALA 44 8.936 8.987 -3.445 270 H CYS 45 H CYS 45 5.821 9.039 -5.915 271 HA CYS 45 HA CYS 45 4.253 6.509 -5.684 272 1HB CYS 45 2HB CYS 45 3.267 9.304 -5.800 273 2HB CYS 45 1HB CYS 45 2.437 8.164 -6.856 274 H ASN 46 H ASN 46 3.589 5.678 -7.808 275 HA ASN 46 HA ASN 46 5.413 6.572 -9.986 276 1HB ASN 46 2HB ASN 46 4.694 4.135 -8.956 277 2HB ASN 46 1HB ASN 46 3.623 4.253 -10.353 278 1HD2 ASN 46 1HD2 ASN 46 5.402 2.302 -10.737 279 2HD2 ASN 46 2HD2 ASN 46 6.706 2.779 -11.712 280 HA PRO 47 HA PRO 47 1.698 8.436 -11.690 281 1HB PRO 47 2HB PRO 47 2.995 10.332 -13.151 282 2HB PRO 47 1HB PRO 47 2.688 10.497 -11.411 283 1HG PRO 47 2HG PRO 47 5.207 9.923 -12.821 284 2HG PRO 47 1HG PRO 47 4.944 10.623 -11.219 285 1HD PRO 47 2HD PRO 47 5.675 7.939 -11.834 286 2HD PRO 47 1HD PRO 47 5.292 8.616 -10.238 287 H ALA 48 H ALA 48 4.650 7.768 -13.564 288 HA ALA 48 HA ALA 48 3.483 7.669 -16.156 289 1HB ALA 48 1HB ALA 48 5.793 6.055 -15.043 290 2HB ALA 48 2HB ALA 48 5.910 7.749 -15.518 291 3HB ALA 48 3HB ALA 48 5.548 6.516 -16.726 292 H THR 49 H THR 49 3.443 5.330 -13.540 293 HA THR 49 HA THR 49 2.170 3.333 -15.381 294 HB THR 49 HB THR 49 2.859 1.760 -13.480 295 HG1 THR 49 HG1 THR 49 3.127 3.604 -12.023 296 1HG2 THR 49 1HG2 THR 49 5.113 3.287 -14.801 297 2HG2 THR 49 2HG2 THR 49 4.113 2.102 -15.641 298 3HG2 THR 49 3HG2 THR 49 5.125 1.601 -14.287 299 H ALA 50 H ALA 50 0.808 5.634 -14.042 300 HA ALA 50 HA ALA 50 -0.802 4.371 -11.904 301 1HB ALA 50 1HB ALA 50 -0.253 7.063 -13.010 302 2HB ALA 50 2HB ALA 50 -0.496 6.567 -11.335 303 3HB ALA 50 3HB ALA 50 -1.887 6.827 -12.389 304 H THR 51 H THR 51 -2.801 3.476 -12.286 305 HA THR 51 HA THR 51 -4.321 4.269 -14.699 306 HB THR 51 HB THR 51 -2.700 2.352 -15.171 307 HG1 THR 51 HG1 THR 51 -4.439 1.101 -16.158 308 1HG2 THR 51 1HG2 THR 51 -4.659 0.900 -13.383 309 2HG2 THR 51 2HG2 THR 51 -2.969 1.221 -12.999 310 3HG2 THR 51 3HG2 THR 51 -3.384 0.140 -14.330 311 H SER 52 H SER 52 -6.549 3.139 -14.641 312 HA SER 52 HA SER 52 -7.391 2.550 -11.827 313 1HB SER 52 2HB SER 52 -7.828 4.893 -12.376 314 2HB SER 52 1HB SER 52 -8.656 4.416 -13.854 315 HG SER 52 HG SER 52 -10.263 4.639 -12.414 316 H PHE 53 H PHE 53 -9.607 1.521 -11.787 317 HA PHE 53 HA PHE 53 -10.448 0.174 -14.297 318 1HB PHE 53 2HB PHE 53 -10.224 -2.034 -13.256 319 2HB PHE 53 1HB PHE 53 -8.670 -1.203 -13.195 320 HD1 PHE 53 HD1 PHE 53 -11.175 -2.878 -11.288 321 HD2 PHE 53 HD2 PHE 53 -8.167 0.181 -11.037 322 HE1 PHE 53 HE1 PHE 53 -11.150 -3.103 -8.819 323 HE2 PHE 53 HE2 PHE 53 -8.146 -0.044 -8.569 324 HZ PHE 53 HZ PHE 53 -9.636 -1.686 -7.459 325 H THR 54 H THR 54 -12.413 -1.415 -13.501 326 HA THR 54 HA THR 54 -13.989 -0.065 -11.371 327 HB THR 54 HB THR 54 -15.006 -0.588 -14.175 328 HG1 THR 54 HG1 THR 54 -13.913 1.132 -14.639 329 1HG2 THR 54 1HG2 THR 54 -16.103 1.019 -11.855 330 2HG2 THR 54 2HG2 THR 54 -16.739 -0.516 -12.444 331 3HG2 THR 54 3HG2 THR 54 -16.831 0.924 -13.458 332 H THR 55 H THR 55 -16.016 -1.381 -10.879 333 HA THR 55 HA THR 55 -15.326 -4.251 -10.873 334 HB THR 55 HB THR 55 -17.626 -4.109 -9.513 335 HG1 THR 55 HG1 THR 55 -18.276 -2.117 -9.652 336 1HG2 THR 55 1HG2 THR 55 -14.826 -3.380 -8.802 337 2HG2 THR 55 2HG2 THR 55 -15.811 -4.729 -8.236 338 3HG2 THR 55 3HG2 THR 55 -16.077 -3.109 -7.590 339 H ASP 56 H ASP 56 -18.057 -5.253 -10.841 340 HA ASP 56 HA ASP 56 -19.090 -4.586 -13.562 341 1HB ASP 56 2HB ASP 56 -17.314 -6.579 -13.245 342 2HB ASP 56 1HB ASP 56 -18.780 -7.462 -12.820 343 H ALA 57 H ALA 57 -20.998 -6.629 -13.716 344 HA ALA 57 HA ALA 57 -23.084 -5.697 -12.027 345 1HB ALA 57 1HB ALA 57 -22.965 -7.155 -14.247 346 2HB ALA 57 2HB ALA 57 -24.347 -7.290 -13.161 347 3HB ALA 57 3HB ALA 57 -23.056 -8.490 -13.098 348 H SER 58 H SER 58 -21.143 -8.664 -11.809 349 HA SER 58 HA SER 58 -22.235 -9.249 -9.130 350 1HB SER 58 2HB SER 58 -20.633 -11.225 -9.443 351 2HB SER 58 1HB SER 58 -21.918 -11.093 -10.641 352 HG SER 58 HG SER 58 -20.479 -10.633 -12.125 353 H GLY 59 H GLY 59 -20.280 -6.932 -10.017 354 1HA GLY 59 2HA GLY 59 -18.571 -5.724 -8.960 355 2HA GLY 59 1HA GLY 59 -18.834 -6.741 -7.548 356 H ALA 60 H ALA 60 -18.157 -8.444 -10.467 357 HA ALA 60 HA ALA 60 -15.553 -9.313 -9.365 358 1HB ALA 60 1HB ALA 60 -17.026 -11.014 -10.200 359 2HB ALA 60 2HB ALA 60 -15.733 -10.865 -11.389 360 3HB ALA 60 3HB ALA 60 -17.304 -10.126 -11.697 361 H ALA 61 H ALA 61 -13.698 -8.280 -9.980 362 HA ALA 61 HA ALA 61 -13.594 -7.102 -12.728 363 1HB ALA 61 1HB ALA 61 -12.088 -5.374 -11.339 364 2HB ALA 61 2HB ALA 61 -13.145 -5.910 -10.035 365 3HB ALA 61 3HB ALA 61 -13.834 -5.180 -11.480 366 H SER 62 H SER 62 -12.389 -9.048 -13.298 367 HA SER 62 HA SER 62 -9.696 -9.326 -12.029 368 1HB SER 62 2HB SER 62 -11.684 -11.057 -13.337 369 2HB SER 62 1HB SER 62 -10.035 -11.361 -13.874 370 HG SER 62 HG SER 62 -11.227 -11.733 -11.396 371 H PHE 63 H PHE 63 -7.948 -8.577 -13.146 372 HA PHE 63 HA PHE 63 -7.918 -8.551 -16.084 373 1HB PHE 63 2HB PHE 63 -7.642 -6.059 -16.162 374 2HB PHE 63 1HB PHE 63 -9.235 -6.567 -15.611 375 HD1 PHE 63 HD1 PHE 63 -9.487 -6.887 -12.997 376 HD2 PHE 63 HD2 PHE 63 -6.453 -4.509 -14.894 377 HE1 PHE 63 HE1 PHE 63 -9.166 -5.611 -10.892 378 HE2 PHE 63 HE2 PHE 63 -6.130 -3.235 -12.789 379 HZ PHE 63 HZ PHE 63 -7.486 -3.783 -10.787 380 H SER 64 H SER 64 -5.806 -7.229 -16.764 381 HA SER 64 HA SER 64 -3.627 -8.178 -14.934 382 1HB SER 64 2HB SER 64 -3.357 -7.415 -17.832 383 2HB SER 64 1HB SER 64 -2.376 -8.542 -16.899 384 HG SER 64 HG SER 64 -4.379 -9.803 -16.715 385 H PHE 65 H PHE 65 -1.991 -6.793 -14.334 386 HA PHE 65 HA PHE 65 -2.078 -3.953 -15.258 387 1HB PHE 65 2HB PHE 65 -3.263 -4.011 -13.171 388 2HB PHE 65 1HB PHE 65 -2.093 -5.122 -12.460 389 HD1 PHE 65 HD1 PHE 65 -2.176 -1.729 -14.086 390 HD2 PHE 65 HD2 PHE 65 -0.495 -4.239 -11.031 391 HE1 PHE 65 HE1 PHE 65 -0.870 0.194 -13.220 392 HE2 PHE 65 HE2 PHE 65 0.809 -2.320 -10.170 393 HZ PHE 65 HZ PHE 65 0.623 -0.105 -11.263 394 H VAL 66 H VAL 66 0.096 -2.864 -14.683 395 HA VAL 66 HA VAL 66 2.284 -4.896 -14.940 396 HB VAL 66 HB VAL 66 2.427 -1.940 -15.493 397 1HG1 VAL 66 1HG1 VAL 66 3.987 -3.203 -17.325 398 2HG1 VAL 66 2HG1 VAL 66 4.105 -4.328 -15.970 399 3HG1 VAL 66 3HG1 VAL 66 4.579 -2.643 -15.760 400 1HG2 VAL 66 1HG2 VAL 66 1.023 -4.088 -16.970 401 2HG2 VAL 66 2HG2 VAL 66 2.094 -3.088 -17.950 402 3HG2 VAL 66 3HG2 VAL 66 0.785 -2.342 -17.036 403 H VAL 67 H VAL 67 4.231 -4.580 -13.724 404 HA VAL 67 HA VAL 67 4.075 -2.684 -11.418 405 HB VAL 67 HB VAL 67 4.785 -4.620 -9.962 406 1HG1 VAL 67 1HG1 VAL 67 2.528 -5.693 -9.943 407 2HG1 VAL 67 2HG1 VAL 67 2.166 -4.885 -11.467 408 3HG1 VAL 67 3HG1 VAL 67 2.442 -3.932 -10.010 409 1HG2 VAL 67 1HG2 VAL 67 4.482 -6.893 -10.869 410 2HG2 VAL 67 2HG2 VAL 67 5.704 -6.017 -11.794 411 3HG2 VAL 67 3HG2 VAL 67 4.078 -6.216 -12.448 412 H ARG 68 H ARG 68 6.221 -2.312 -10.446 413 HA ARG 68 HA ARG 68 8.521 -3.275 -12.088 414 1HB ARG 68 2HB ARG 68 7.394 -0.562 -11.793 415 2HB ARG 68 1HB ARG 68 9.146 -0.656 -11.609 416 1HG ARG 68 2HG ARG 68 7.784 -2.055 -13.899 417 2HG ARG 68 1HG ARG 68 8.166 -0.337 -14.003 418 1HD ARG 68 2HD ARG 68 10.396 -1.982 -12.990 419 2HD ARG 68 1HD ARG 68 9.928 -2.336 -14.666 420 HE ARG 68 HE ARG 68 9.936 0.486 -14.347 421 1HH1 ARG 68 1HH2 ARG 68 12.418 -0.146 -12.790 422 2HH1 ARG 68 2HH2 ARG 68 13.631 -0.149 -14.029 423 1HH2 ARG 68 1HH1 ARG 68 11.352 -0.409 -16.628 424 2HH2 ARG 68 2HH1 ARG 68 13.027 -0.298 -16.201 425 H LYS 69 H LYS 69 10.489 -3.376 -10.919 426 HA LYS 69 HA LYS 69 10.274 -3.669 -8.041 427 1HB LYS 69 2HB LYS 69 11.771 -4.838 -9.828 428 2HB LYS 69 1HB LYS 69 12.822 -3.435 -9.634 429 1HG LYS 69 2HG LYS 69 11.886 -4.714 -7.124 430 2HG LYS 69 1HG LYS 69 13.029 -5.647 -8.092 431 1HD LYS 69 2HD LYS 69 13.460 -2.760 -7.274 432 2HD LYS 69 1HD LYS 69 14.140 -4.143 -6.416 433 1HE LYS 69 2HE LYS 69 15.024 -4.812 -8.829 434 2HE LYS 69 1HE LYS 69 14.853 -3.069 -9.122 435 1HZ LYS 69 1HZ LYS 69 16.880 -3.053 -8.126 436 2HZ LYS 69 2HZ LYS 69 16.590 -4.471 -7.235 437 3HZ LYS 69 3HZ LYS 69 15.926 -2.992 -6.726 438 H SER 70 H SER 70 12.124 -1.398 -10.109 439 HA SER 70 HA SER 70 12.095 0.543 -7.821 440 1HB SER 70 2HB SER 70 14.225 0.009 -9.907 441 2HB SER 70 1HB SER 70 14.338 1.211 -8.625 442 HG SER 70 HG SER 70 14.226 -0.473 -7.120 443 H TYR 71 H TYR 71 11.818 2.759 -8.416 444 HA TYR 71 HA TYR 71 11.545 3.527 -11.239 445 1HB TYR 71 2HB TYR 71 9.161 3.967 -11.114 446 2HB TYR 71 1HB TYR 71 9.433 2.300 -10.606 447 HD1 TYR 71 HD1 TYR 71 9.328 1.674 -8.214 448 HD2 TYR 71 HD2 TYR 71 8.426 5.658 -9.547 449 HE1 TYR 71 HE1 TYR 71 8.256 2.159 -6.031 450 HE2 TYR 71 HE2 TYR 71 7.352 6.145 -7.363 451 HH TYR 71 HH TYR 71 6.260 4.806 -5.510 452 H THR 72 H THR 72 12.075 5.681 -11.387 453 HA THR 72 HA THR 72 12.914 7.226 -9.170 454 HB THR 72 HB THR 72 11.907 8.058 -11.905 455 HG1 THR 72 HG1 THR 72 13.692 7.188 -12.530 456 1HG2 THR 72 1HG2 THR 72 13.879 9.540 -10.170 457 2HG2 THR 72 2HG2 THR 72 12.146 9.855 -10.074 458 3HG2 THR 72 3HG2 THR 72 13.008 10.128 -11.587 459 H GLY 73 H GLY 73 11.670 8.067 -7.558 460 1HA GLY 73 2HA GLY 73 8.798 8.616 -8.106 461 2HA GLY 73 1HA GLY 73 9.517 8.450 -6.502 462 H SER 74 H SER 74 8.104 10.624 -6.529 463 HA SER 74 HA SER 74 10.078 12.807 -6.571 464 1HB SER 74 2HB SER 74 8.415 12.245 -8.801 465 2HB SER 74 1HB SER 74 7.783 13.709 -8.054 466 HG SER 74 HG SER 74 9.372 14.461 -9.311 467 H THR 75 H THR 75 9.511 14.390 -5.096 468 HA THR 75 HA THR 75 7.683 13.983 -3.039 469 HB THR 75 HB THR 75 7.904 16.506 -2.803 470 HG1 THR 75 HG1 THR 75 8.622 17.596 -4.440 471 1HG2 THR 75 1HG2 THR 75 9.554 14.963 -1.851 472 2HG2 THR 75 2HG2 THR 75 10.350 16.407 -2.475 473 3HG2 THR 75 3HG2 THR 75 10.401 14.906 -3.397 474 HA PRO 76 HA PRO 76 3.654 14.854 -4.528 475 1HB PRO 76 2HB PRO 76 2.601 16.521 -2.622 476 2HB PRO 76 1HB PRO 76 2.849 14.782 -2.366 477 1HG PRO 76 2HG PRO 76 4.551 17.079 -1.506 478 2HG PRO 76 1HG PRO 76 4.102 15.613 -0.616 479 1HD PRO 76 2HD PRO 76 6.514 15.893 -1.791 480 2HD PRO 76 1HD PRO 76 5.699 14.320 -1.667 481 H GLU 77 H GLU 77 5.907 17.412 -4.116 482 HA GLU 77 HA GLU 77 4.185 19.498 -5.271 483 1HB GLU 77 2HB GLU 77 5.794 20.145 -3.610 484 2HB GLU 77 1HB GLU 77 7.090 19.291 -4.449 485 1HG GLU 77 2HG GLU 77 7.104 20.863 -6.244 486 2HG GLU 77 1HG GLU 77 5.571 21.570 -5.729 487 H GLY 78 H GLY 78 6.263 17.000 -6.402 488 1HA GLY 78 2HA GLY 78 6.336 16.397 -8.755 489 2HA GLY 78 1HA GLY 78 6.042 18.090 -9.162 490 H THR 79 H THR 79 8.365 17.238 -6.695 491 HA THR 79 HA THR 79 10.547 18.155 -8.532 492 HB THR 79 HB THR 79 10.138 18.319 -5.536 493 HG1 THR 79 HG1 THR 79 10.434 20.303 -7.541 494 1HG2 THR 79 1HG2 THR 79 12.308 19.828 -5.931 495 2HG2 THR 79 2HG2 THR 79 12.560 18.667 -7.235 496 3HG2 THR 79 3HG2 THR 79 12.427 18.106 -5.568 497 HA PRO 80 HA PRO 80 12.121 14.041 -8.004 498 1HB PRO 80 2HB PRO 80 14.493 14.423 -9.303 499 2HB PRO 80 1HB PRO 80 12.947 14.231 -10.153 500 1HG PRO 80 2HG PRO 80 14.494 16.705 -9.578 501 2HG PRO 80 1HG PRO 80 13.531 16.277 -11.001 502 1HD PRO 80 2HD PRO 80 12.669 17.962 -9.004 503 2HD PRO 80 1HD PRO 80 11.588 17.041 -10.071 504 H VAL 81 H VAL 81 13.136 13.268 -6.189 505 HA VAL 81 HA VAL 81 15.306 14.938 -4.961 506 HB VAL 81 HB VAL 81 13.124 14.914 -3.749 507 1HG1 VAL 81 1HG1 VAL 81 13.685 11.943 -3.487 508 2HG1 VAL 81 2HG1 VAL 81 12.441 12.644 -4.521 509 3HG1 VAL 81 3HG1 VAL 81 12.331 12.815 -2.770 510 1HG2 VAL 81 1HG2 VAL 81 15.130 13.261 -2.208 511 2HG2 VAL 81 2HG2 VAL 81 14.065 14.531 -1.605 512 3HG2 VAL 81 3HG2 VAL 81 15.450 14.947 -2.616 513 H GLY 82 H GLY 82 14.078 11.685 -5.597 514 1HA GLY 82 2HA GLY 82 16.696 10.570 -5.955 515 2HA GLY 82 1HA GLY 82 16.086 10.147 -4.351 516 H SER 83 H SER 83 16.547 8.248 -6.469 517 HA SER 83 HA SER 83 13.990 7.576 -7.705 518 1HB SER 83 2HB SER 83 15.299 5.544 -8.373 519 2HB SER 83 1HB SER 83 16.120 7.053 -8.762 520 HG SER 83 HG SER 83 17.683 6.299 -7.586 521 H VAL 84 H VAL 84 12.775 5.599 -7.204 522 HA VAL 84 HA VAL 84 12.903 4.907 -4.296 523 HB VAL 84 HB VAL 84 10.678 4.522 -6.322 524 1HG1 VAL 84 1HG1 VAL 84 9.273 4.383 -4.286 525 2HG1 VAL 84 2HG1 VAL 84 10.717 4.548 -3.287 526 3HG1 VAL 84 3HG1 VAL 84 10.507 3.123 -4.304 527 1HG2 VAL 84 1HG2 VAL 84 11.073 6.766 -4.314 528 2HG2 VAL 84 2HG2 VAL 84 9.719 6.590 -5.431 529 3HG2 VAL 84 3HG2 VAL 84 11.337 6.920 -6.051 530 H ASP 85 H ASP 85 12.361 2.596 -3.772 531 HA ASP 85 HA ASP 85 12.816 0.613 -5.926 532 1HB ASP 85 2HB ASP 85 14.794 -0.296 -4.823 533 2HB ASP 85 1HB ASP 85 15.049 1.422 -5.121 534 H CYS 86 H CYS 86 12.079 -1.487 -5.308 535 HA CYS 86 HA CYS 86 10.480 -1.531 -2.785 536 1HB CYS 86 2HB CYS 86 10.384 -2.947 -5.448 537 2HB CYS 86 1HB CYS 86 9.482 -3.565 -4.064 538 H ALA 87 H ALA 87 13.445 -2.574 -3.933 539 HA ALA 87 HA ALA 87 13.536 -5.268 -2.874 540 1HB ALA 87 1HB ALA 87 15.319 -5.039 -4.255 541 2HB ALA 87 2HB ALA 87 16.118 -4.218 -2.915 542 3HB ALA 87 3HB ALA 87 15.264 -3.279 -4.140 543 H THR 88 H THR 88 15.269 -2.350 -1.707 544 HA THR 88 HA THR 88 15.516 -3.509 0.980 545 HB THR 88 HB THR 88 17.211 -2.083 -0.310 546 HG1 THR 88 HG1 THR 88 17.782 -2.200 1.727 547 1HG2 THR 88 1HG2 THR 88 16.805 0.114 -0.752 548 2HG2 THR 88 2HG2 THR 88 15.906 0.351 0.748 549 3HG2 THR 88 3HG2 THR 88 15.116 -0.383 -0.648 550 H ALA 89 H ALA 89 13.322 -1.393 -0.680 551 HA ALA 89 HA ALA 89 12.176 -0.441 1.900 552 1HB ALA 89 1HB ALA 89 12.665 0.669 -0.713 553 2HB ALA 89 2HB ALA 89 12.119 1.498 0.745 554 3HB ALA 89 3HB ALA 89 10.943 0.764 -0.347 555 H ALA 90 H ALA 90 9.812 -0.568 2.130 556 HA ALA 90 HA ALA 90 8.687 -2.949 0.722 557 1HB ALA 90 1HB ALA 90 7.213 -3.059 2.655 558 2HB ALA 90 2HB ALA 90 7.768 -1.478 3.205 559 3HB ALA 90 3HB ALA 90 8.871 -2.855 3.218 560 H CYS 91 H CYS 91 7.546 -2.292 -1.081 561 HA CYS 91 HA CYS 91 5.868 0.169 -0.833 562 1HB CYS 91 2HB CYS 91 5.946 0.080 -3.336 563 2HB CYS 91 1HB CYS 91 7.550 0.178 -2.610 564 H ASN 92 H ASN 92 3.705 0.020 -1.966 565 HA ASN 92 HA ASN 92 2.642 -2.744 -2.249 566 1HB ASN 92 2HB ASN 92 0.985 -2.417 -0.546 567 2HB ASN 92 1HB ASN 92 2.517 -1.894 0.162 568 1HD2 ASN 92 1HD2 ASN 92 2.664 0.276 0.860 569 2HD2 ASN 92 2HD2 ASN 92 1.454 1.441 0.600 570 H LEU 93 H LEU 93 0.501 -2.753 -3.275 571 HA LEU 93 HA LEU 93 0.051 -0.319 -4.958 572 1HB LEU 93 2HB LEU 93 0.577 -2.289 -6.228 573 2HB LEU 93 1HB LEU 93 -0.513 -3.281 -5.259 574 HG LEU 93 HG LEU 93 -2.407 -1.799 -6.095 575 1HD1 LEU 93 1HD1 LEU 93 -0.249 -0.316 -7.104 576 2HD1 LEU 93 2HD1 LEU 93 -1.959 -0.053 -7.447 577 3HD1 LEU 93 3HD1 LEU 93 -0.988 -1.064 -8.519 578 1HD2 LEU 93 1HD2 LEU 93 -0.791 -3.458 -8.054 579 2HD2 LEU 93 2HD2 LEU 93 -2.452 -2.938 -8.336 580 3HD2 LEU 93 3HD2 LEU 93 -2.086 -4.031 -7.002 581 H GLY 94 H GLY 94 -1.603 0.909 -4.110 582 1HA GLY 94 2HA GLY 94 -3.816 -0.519 -2.702 583 2HA GLY 94 1HA GLY 94 -3.436 1.193 -2.506 584 H ALA 95 H ALA 95 -6.020 0.059 -3.214 585 HA ALA 95 HA ALA 95 -6.428 1.524 -5.772 586 1HB ALA 95 1HB ALA 95 -8.100 -0.738 -5.843 587 2HB ALA 95 2HB ALA 95 -6.531 -1.332 -5.299 588 3HB ALA 95 3HB ALA 95 -6.663 -0.458 -6.825 589 H GLY 96 H GLY 96 -8.094 2.956 -5.458 590 1HA GLY 96 2HA GLY 96 -10.665 2.492 -4.591 591 2HA GLY 96 1HA GLY 96 -9.793 2.765 -3.083 592 H ASN 97 H ASN 97 -11.435 4.679 -3.138 593 HA ASN 97 HA ASN 97 -10.088 6.989 -4.463 594 1HB ASN 97 2HB ASN 97 -12.423 7.893 -4.806 595 2HB ASN 97 1HB ASN 97 -12.071 6.434 -5.730 596 1HD2 ASN 97 1HD2 ASN 97 -14.450 7.789 -3.840 597 2HD2 ASN 97 2HD2 ASN 97 -15.191 6.373 -3.264 598 H SER 98 H SER 98 -12.476 6.135 -1.934 599 HA SER 98 HA SER 98 -11.197 7.323 0.257 600 1HB SER 98 2HB SER 98 -12.304 9.218 -1.683 601 2HB SER 98 1HB SER 98 -12.884 9.504 -0.044 602 HG SER 98 HG SER 98 -10.651 10.314 -0.963 603 H GLY 99 H GLY 99 -14.341 7.143 -1.379 604 1HA GLY 99 2HA GLY 99 -15.799 6.985 1.158 605 2HA GLY 99 1HA GLY 99 -16.500 6.815 -0.451 606 H LEU 100 H LEU 100 -14.277 4.769 -1.032 607 HA LEU 100 HA LEU 100 -15.561 2.489 0.435 608 1HB LEU 100 2HB LEU 100 -16.027 2.887 -2.069 609 2HB LEU 100 1HB LEU 100 -14.351 2.400 -2.330 610 HG LEU 100 HG LEU 100 -16.145 0.676 -0.653 611 1HD1 LEU 100 1HD1 LEU 100 -16.414 -0.574 -2.984 612 2HD1 LEU 100 2HD1 LEU 100 -16.245 1.059 -3.617 613 3HD1 LEU 100 3HD1 LEU 100 -17.548 0.683 -2.497 614 1HD2 LEU 100 1HD2 LEU 100 -13.575 0.473 -2.150 615 2HD2 LEU 100 2HD2 LEU 100 -14.583 -0.974 -2.096 616 3HD2 LEU 100 3HD2 LEU 100 -14.028 -0.228 -0.597 617 H ASP 101 H ASP 101 -12.672 2.951 -1.609 618 HA ASP 101 HA ASP 101 -10.411 2.387 -1.210 619 1HB ASP 101 2HB ASP 101 -11.327 3.751 0.934 620 2HB ASP 101 1HB ASP 101 -10.925 2.221 1.716 621 H LEU 102 H LEU 102 -10.760 0.224 -2.121 622 HA LEU 102 HA LEU 102 -11.711 -2.023 -0.638 623 1HB LEU 102 2HB LEU 102 -10.056 -1.504 -3.072 624 2HB LEU 102 1HB LEU 102 -10.083 -3.147 -2.431 625 HG LEU 102 HG LEU 102 -12.761 -2.143 -2.416 626 1HD1 LEU 102 1HD1 LEU 102 -11.326 -1.890 -5.077 627 2HD1 LEU 102 2HD1 LEU 102 -12.004 -0.556 -4.143 628 3HD1 LEU 102 3HD1 LEU 102 -13.070 -1.774 -4.842 629 1HD2 LEU 102 1HD2 LEU 102 -13.142 -4.094 -3.846 630 2HD2 LEU 102 2HD2 LEU 102 -12.001 -4.516 -2.571 631 3HD2 LEU 102 3HD2 LEU 102 -11.418 -4.197 -4.203 632 H GLY 103 H GLY 103 -8.455 -0.655 -1.016 633 1HA GLY 103 2HA GLY 103 -7.208 -0.956 1.268 634 2HA GLY 103 1HA GLY 103 -7.420 -2.665 0.905 635 H HIS 104 H HIS 104 -5.005 -2.684 0.944 636 HA HIS 104 HA HIS 104 -3.945 -2.158 -1.790 637 1HB HIS 104 2HB HIS 104 -1.835 -1.295 -0.315 638 2HB HIS 104 1HB HIS 104 -3.084 -0.204 -0.907 639 HD1 HIS 104 HD1 HIS 104 -2.300 -2.267 2.212 640 HD2 HIS 104 HD2 HIS 104 -4.422 1.146 1.107 641 HE1 HIS 104 HE1 HIS 104 -3.150 -1.223 4.361 642 H VAL 105 H VAL 105 -2.761 -3.906 -2.444 643 HA VAL 105 HA VAL 105 -2.111 -6.008 -0.452 644 HB VAL 105 HB VAL 105 -2.281 -5.754 -3.446 645 1HG1 VAL 105 1HG1 VAL 105 -1.155 -8.154 -1.969 646 2HG1 VAL 105 2HG1 VAL 105 -0.185 -7.017 -2.906 647 3HG1 VAL 105 3HG1 VAL 105 -1.400 -8.012 -3.711 648 1HG2 VAL 105 1HG2 VAL 105 -3.912 -7.506 -3.198 649 2HG2 VAL 105 2HG2 VAL 105 -4.268 -6.282 -1.985 650 3HG2 VAL 105 3HG2 VAL 105 -3.454 -7.775 -1.519 651 H ALA 106 H ALA 106 -0.102 -6.000 0.471 652 HA ALA 106 HA ALA 106 2.058 -4.311 -0.229 653 1HB ALA 106 1HB ALA 106 1.931 -7.006 1.156 654 2HB ALA 106 2HB ALA 106 1.840 -5.421 1.923 655 3HB ALA 106 3HB ALA 106 3.348 -5.957 1.183 656 H LEU 107 H LEU 107 4.139 -4.903 -1.263 657 HA LEU 107 HA LEU 107 3.941 -7.222 -3.153 658 1HB LEU 107 2HB LEU 107 4.432 -4.302 -3.642 659 2HB LEU 107 1HB LEU 107 5.154 -5.492 -4.726 660 HG LEU 107 HG LEU 107 2.234 -5.666 -4.020 661 1HD1 LEU 107 1HD1 LEU 107 1.664 -3.901 -5.308 662 2HD1 LEU 107 2HD1 LEU 107 2.805 -4.364 -6.570 663 3HD1 LEU 107 3HD1 LEU 107 3.352 -3.404 -5.195 664 1HD2 LEU 107 1HD2 LEU 107 2.388 -6.506 -6.526 665 2HD2 LEU 107 2HD2 LEU 107 2.882 -7.568 -5.208 666 3HD2 LEU 107 3HD2 LEU 107 4.098 -6.695 -6.140 667 H THR 108 H THR 108 5.972 -8.171 -3.702 668 HA THR 108 HA THR 108 8.402 -7.079 -2.346 669 HB THR 108 HB THR 108 7.724 -10.011 -2.261 670 HG1 THR 108 HG1 THR 108 6.146 -9.622 -0.962 671 1HG2 THR 108 1HG2 THR 108 9.417 -10.117 -0.741 672 2HG2 THR 108 2HG2 THR 108 8.973 -8.582 0.007 673 3HG2 THR 108 3HG2 THR 108 9.915 -8.598 -1.484 674 H PHE 109 H PHE 109 10.413 -7.998 -3.280 675 HA PHE 109 HA PHE 109 10.010 -9.196 -6.003 676 1HB PHE 109 2HB PHE 109 11.649 -6.880 -5.008 677 2HB PHE 109 1HB PHE 109 12.181 -7.771 -6.434 678 HD1 PHE 109 HD1 PHE 109 9.542 -5.616 -5.020 679 HD2 PHE 109 HD2 PHE 109 10.892 -7.735 -8.506 680 HE1 PHE 109 HE1 PHE 109 7.896 -4.385 -6.408 681 HE2 PHE 109 HE2 PHE 109 9.246 -6.504 -9.893 682 HZ PHE 109 HZ PHE 109 7.745 -4.829 -8.845 683 H GLY 110 H GLY 110 11.528 -10.803 -6.586 684 1HA GLY 110 2HA GLY 110 13.925 -11.289 -5.011 685 2HA GLY 110 1HA GLY 110 12.656 -12.470 -4.684 Start of MODEL 8 1 1H ALA 1 1H ALA 1 -20.651 -8.615 -2.587 2 2H ALA 1 2H ALA 1 -20.823 -7.388 -1.424 3 3H ALA 1 3H ALA 1 -21.344 -8.967 -1.076 4 HA ALA 1 HA ALA 1 -19.084 -8.162 -0.127 5 1HB ALA 1 1HB ALA 1 -19.685 -10.760 -1.566 6 2HB ALA 1 2HB ALA 1 -19.996 -10.383 0.129 7 3HB ALA 1 3HB ALA 1 -18.337 -10.566 -0.444 8 HA PRO 2 HA PRO 2 -16.811 -6.938 -3.849 9 1HB PRO 2 2HB PRO 2 -15.063 -5.314 -2.510 10 2HB PRO 2 1HB PRO 2 -16.690 -4.795 -2.993 11 1HG PRO 2 2HG PRO 2 -15.716 -5.728 -0.334 12 2HG PRO 2 1HG PRO 2 -16.848 -4.424 -0.726 13 1HD PRO 2 2HD PRO 2 -17.648 -6.872 0.158 14 2HD PRO 2 1HD PRO 2 -18.637 -5.852 -0.914 15 H ALA 3 H ALA 3 -14.408 -7.150 -4.363 16 HA ALA 3 HA ALA 3 -12.824 -8.801 -2.488 17 1HB ALA 3 1HB ALA 3 -14.454 -10.271 -3.779 18 2HB ALA 3 2HB ALA 3 -12.755 -10.709 -3.957 19 3HB ALA 3 3HB ALA 3 -13.575 -9.820 -5.241 20 H PHE 4 H PHE 4 -10.630 -8.497 -2.840 21 HA PHE 4 HA PHE 4 -9.641 -7.536 -5.464 22 1HB PHE 4 2HB PHE 4 -10.254 -5.461 -4.429 23 2HB PHE 4 1HB PHE 4 -9.585 -5.965 -2.876 24 HD1 PHE 4 HD1 PHE 4 -7.823 -6.789 -5.988 25 HD2 PHE 4 HD2 PHE 4 -8.113 -3.962 -2.762 26 HE1 PHE 4 HE1 PHE 4 -5.631 -5.832 -6.630 27 HE2 PHE 4 HE2 PHE 4 -5.918 -3.009 -3.411 28 HZ PHE 4 HZ PHE 4 -4.679 -3.946 -5.342 29 H SER 5 H SER 5 -8.169 -9.256 -5.646 30 HA SER 5 HA SER 5 -5.975 -9.284 -3.627 31 1HB SER 5 2HB SER 5 -7.507 -10.953 -2.835 32 2HB SER 5 1HB SER 5 -7.734 -11.603 -4.455 33 HG SER 5 HG SER 5 -6.247 -12.809 -3.125 34 H VAL 6 H VAL 6 -4.001 -10.127 -4.464 35 HA VAL 6 HA VAL 6 -3.947 -10.442 -7.446 36 HB VAL 6 HB VAL 6 -2.895 -8.412 -6.369 37 1HG1 VAL 6 1HG1 VAL 6 -1.109 -8.606 -4.878 38 2HG1 VAL 6 2HG1 VAL 6 -0.724 -10.246 -5.396 39 3HG1 VAL 6 3HG1 VAL 6 -2.132 -9.951 -4.376 40 1HG2 VAL 6 1HG2 VAL 6 -2.010 -8.916 -8.490 41 2HG2 VAL 6 2HG2 VAL 6 -1.286 -10.424 -7.933 42 3HG2 VAL 6 3HG2 VAL 6 -0.574 -8.879 -7.466 43 H SER 7 H SER 7 -3.414 -12.516 -8.074 44 HA SER 7 HA SER 7 -2.818 -14.678 -6.423 45 1HB SER 7 2HB SER 7 -2.385 -13.948 -9.264 46 2HB SER 7 1HB SER 7 -1.484 -15.345 -8.680 47 HG SER 7 HG SER 7 -3.758 -15.803 -7.714 48 HA PRO 8 HA PRO 8 1.872 -14.148 -6.749 49 1HB PRO 8 2HB PRO 8 2.956 -12.247 -8.378 50 2HB PRO 8 1HB PRO 8 2.509 -13.861 -8.961 51 1HG PRO 8 2HG PRO 8 1.063 -11.278 -9.253 52 2HG PRO 8 1HG PRO 8 1.234 -12.616 -10.403 53 1HD PRO 8 2HD PRO 8 -1.013 -12.173 -8.884 54 2HD PRO 8 1HD PRO 8 -0.534 -13.757 -9.529 55 H ALA 9 H ALA 9 1.034 -13.112 -4.655 56 HA ALA 9 HA ALA 9 1.255 -10.171 -4.487 57 1HB ALA 9 1HB ALA 9 0.736 -10.832 -2.012 58 2HB ALA 9 2HB ALA 9 0.472 -12.446 -2.674 59 3HB ALA 9 3HB ALA 9 -0.513 -11.093 -3.231 60 H SER 10 H SER 10 3.407 -12.764 -4.306 61 HA SER 10 HA SER 10 5.440 -11.036 -2.970 62 1HB SER 10 2HB SER 10 5.923 -12.683 -1.321 63 2HB SER 10 1HB SER 10 4.164 -12.595 -1.355 64 HG SER 10 HG SER 10 4.149 -14.596 -1.972 65 H GLY 11 H GLY 11 7.558 -11.504 -3.712 66 1HA GLY 11 2HA GLY 11 9.239 -12.600 -4.972 67 2HA GLY 11 1HA GLY 11 8.096 -13.905 -5.294 68 H LEU 12 H LEU 12 8.697 -10.492 -6.150 69 HA LEU 12 HA LEU 12 7.719 -11.130 -8.915 70 1HB LEU 12 2HB LEU 12 7.341 -8.511 -7.428 71 2HB LEU 12 1HB LEU 12 6.555 -9.014 -8.924 72 HG LEU 12 HG LEU 12 6.176 -10.741 -6.505 73 1HD1 LEU 12 1HD1 LEU 12 4.046 -9.096 -6.261 74 2HD1 LEU 12 2HD1 LEU 12 5.262 -7.929 -6.781 75 3HD1 LEU 12 3HD1 LEU 12 5.527 -8.890 -5.325 76 1HD2 LEU 12 1HD2 LEU 12 3.868 -10.844 -7.561 77 2HD2 LEU 12 2HD2 LEU 12 5.167 -11.488 -8.557 78 3HD2 LEU 12 3HD2 LEU 12 4.513 -9.884 -8.887 79 H SER 13 H SER 13 8.587 -9.401 -10.510 80 HA SER 13 HA SER 13 11.241 -8.340 -9.645 81 1HB SER 13 2HB SER 13 10.913 -10.631 -11.077 82 2HB SER 13 1HB SER 13 11.015 -9.451 -12.380 83 HG SER 13 HG SER 13 12.849 -9.621 -10.216 84 H ASP 14 H ASP 14 12.102 -6.750 -11.354 85 HA ASP 14 HA ASP 14 10.155 -4.716 -11.901 86 1HB ASP 14 2HB ASP 14 12.050 -3.635 -13.020 87 2HB ASP 14 1HB ASP 14 12.604 -4.408 -11.534 88 H GLY 15 H GLY 15 8.823 -4.468 -13.641 89 1HA GLY 15 2HA GLY 15 8.154 -4.593 -15.925 90 2HA GLY 15 1HA GLY 15 9.488 -5.704 -16.219 91 H GLN 16 H GLN 16 8.769 -7.383 -13.893 92 HA GLN 16 HA GLN 16 7.263 -9.405 -15.080 93 1HB GLN 16 2HB GLN 16 8.490 -9.790 -13.065 94 2HB GLN 16 1HB GLN 16 7.631 -8.508 -12.217 95 1HG GLN 16 2HG GLN 16 6.600 -10.456 -11.399 96 2HG GLN 16 1HG GLN 16 5.500 -9.937 -12.671 97 1HE2 GLN 16 1HE2 GLN 16 5.484 -12.639 -11.958 98 2HE2 GLN 16 2HE2 GLN 16 6.189 -13.565 -13.193 99 H SER 17 H SER 17 5.060 -9.867 -15.230 100 HA SER 17 HA SER 17 3.206 -7.611 -14.663 101 1HB SER 17 2HB SER 17 2.830 -8.299 -16.829 102 2HB SER 17 1HB SER 17 3.395 -9.937 -16.512 103 HG SER 17 HG SER 17 1.417 -10.500 -16.064 104 H VAL 18 H VAL 18 1.678 -7.791 -13.045 105 HA VAL 18 HA VAL 18 1.606 -10.334 -11.491 106 HB VAL 18 HB VAL 18 0.547 -8.774 -9.791 107 1HG1 VAL 18 1HG1 VAL 18 3.244 -7.948 -10.903 108 2HG1 VAL 18 2HG1 VAL 18 2.964 -9.302 -9.808 109 3HG1 VAL 18 3HG1 VAL 18 2.664 -7.651 -9.263 110 1HG2 VAL 18 1HG2 VAL 18 0.003 -6.640 -10.349 111 2HG2 VAL 18 2HG2 VAL 18 0.210 -7.139 -12.028 112 3HG2 VAL 18 3HG2 VAL 18 1.546 -6.381 -11.162 113 H SER 19 H SER 19 -0.593 -11.011 -10.694 114 HA SER 19 HA SER 19 -2.671 -10.377 -12.755 115 1HB SER 19 2HB SER 19 -1.579 -12.788 -11.660 116 2HB SER 19 1HB SER 19 -3.298 -12.715 -11.293 117 HG SER 19 HG SER 19 -1.974 -12.881 -13.738 118 H VAL 20 H VAL 20 -4.304 -9.187 -12.003 119 HA VAL 20 HA VAL 20 -4.920 -9.254 -9.078 120 HB VAL 20 HB VAL 20 -5.055 -7.158 -11.243 121 1HG1 VAL 20 1HG1 VAL 20 -6.301 -5.705 -9.702 122 2HG1 VAL 20 2HG1 VAL 20 -6.388 -7.010 -8.518 123 3HG1 VAL 20 3HG1 VAL 20 -7.240 -7.155 -10.056 124 1HG2 VAL 20 1HG2 VAL 20 -3.768 -7.446 -8.527 125 2HG2 VAL 20 2HG2 VAL 20 -3.942 -5.872 -9.300 126 3HG2 VAL 20 3HG2 VAL 20 -2.991 -7.136 -10.079 127 H SER 21 H SER 21 -7.145 -9.358 -8.491 128 HA SER 21 HA SER 21 -9.110 -9.808 -10.680 129 1HB SER 21 2HB SER 21 -8.286 -11.757 -8.523 130 2HB SER 21 1HB SER 21 -9.801 -11.917 -9.403 131 HG SER 21 HG SER 21 -8.103 -13.098 -10.386 132 H VAL 22 H VAL 22 -10.845 -8.574 -10.154 133 HA VAL 22 HA VAL 22 -11.475 -8.157 -7.251 134 HB VAL 22 HB VAL 22 -11.812 -6.371 -9.674 135 1HG1 VAL 22 1HG1 VAL 22 -13.380 -6.375 -7.406 136 2HG1 VAL 22 2HG1 VAL 22 -13.096 -4.971 -8.434 137 3HG1 VAL 22 3HG1 VAL 22 -12.119 -5.216 -6.987 138 1HG2 VAL 22 1HG2 VAL 22 -9.930 -6.347 -7.303 139 2HG2 VAL 22 2HG2 VAL 22 -10.161 -4.954 -8.359 140 3HG2 VAL 22 3HG2 VAL 22 -9.505 -6.455 -9.011 141 H SER 23 H SER 23 -13.622 -8.565 -6.647 142 HA SER 23 HA SER 23 -15.717 -8.791 -8.703 143 1HB SER 23 2HB SER 23 -16.129 -11.161 -8.211 144 2HB SER 23 1HB SER 23 -14.480 -10.932 -8.786 145 HG SER 23 HG SER 23 -15.024 -12.196 -6.705 146 H GLY 24 H GLY 24 -17.704 -8.318 -7.816 147 1HA GLY 24 2HA GLY 24 -19.216 -8.768 -5.823 148 2HA GLY 24 1HA GLY 24 -17.860 -8.236 -4.834 149 H ALA 25 H ALA 25 -16.986 -5.997 -6.232 150 HA ALA 25 HA ALA 25 -18.535 -3.886 -5.309 151 1HB ALA 25 1HB ALA 25 -16.714 -4.241 -7.680 152 2HB ALA 25 2HB ALA 25 -16.383 -3.429 -6.151 153 3HB ALA 25 3HB ALA 25 -17.445 -2.674 -7.338 154 H ALA 26 H ALA 26 -18.699 -5.243 -8.612 155 HA ALA 26 HA ALA 26 -20.553 -5.394 -10.079 156 1HB ALA 26 1HB ALA 26 -22.686 -5.412 -9.092 157 2HB ALA 26 2HB ALA 26 -22.243 -4.182 -7.909 158 3HB ALA 26 3HB ALA 26 -21.633 -5.829 -7.739 159 H ALA 27 H ALA 27 -21.200 -4.037 -11.660 160 HA ALA 27 HA ALA 27 -20.312 -1.546 -12.203 161 1HB ALA 27 1HB ALA 27 -23.058 -1.522 -12.929 162 2HB ALA 27 2HB ALA 27 -22.539 -3.207 -12.938 163 3HB ALA 27 3HB ALA 27 -21.690 -2.016 -13.923 164 H GLY 28 H GLY 28 -20.478 0.467 -11.323 165 1HA GLY 28 2HA GLY 28 -22.115 2.192 -10.472 166 2HA GLY 28 1HA GLY 28 -22.661 0.942 -9.357 167 H GLU 29 H GLU 29 -19.330 0.713 -9.866 168 HA GLU 29 HA GLU 29 -18.644 2.589 -7.667 169 1HB GLU 29 2HB GLU 29 -18.345 -0.426 -7.639 170 2HB GLU 29 1HB GLU 29 -17.518 0.638 -6.499 171 1HG GLU 29 2HG GLU 29 -19.675 1.521 -5.725 172 2HG GLU 29 1HG GLU 29 -20.522 0.506 -6.892 173 H THR 30 H THR 30 -16.695 3.525 -8.121 174 HA THR 30 HA THR 30 -14.941 2.216 -10.171 175 HB THR 30 HB THR 30 -15.555 5.066 -9.370 176 HG1 THR 30 HG1 THR 30 -16.717 4.844 -11.083 177 1HG2 THR 30 1HG2 THR 30 -13.050 3.979 -10.440 178 2HG2 THR 30 2HG2 THR 30 -13.380 5.564 -9.742 179 3HG2 THR 30 3HG2 THR 30 -13.743 5.256 -11.441 180 H TYR 31 H TYR 31 -12.696 2.044 -9.685 181 HA TYR 31 HA TYR 31 -11.861 2.856 -6.928 182 1HB TYR 31 2HB TYR 31 -11.161 0.280 -8.364 183 2HB TYR 31 1HB TYR 31 -10.836 0.679 -6.676 184 HD1 TYR 31 HD1 TYR 31 -13.105 1.597 -5.427 185 HD2 TYR 31 HD2 TYR 31 -12.940 -1.174 -8.703 186 HE1 TYR 31 HE1 TYR 31 -15.328 0.705 -4.784 187 HE2 TYR 31 HE2 TYR 31 -15.163 -2.067 -8.061 188 HH TYR 31 HH TYR 31 -16.514 -1.757 -5.225 189 H TYR 32 H TYR 32 -9.358 2.627 -6.774 190 HA TYR 32 HA TYR 32 -8.066 3.470 -9.347 191 1HB TYR 32 2HB TYR 32 -7.756 4.613 -6.551 192 2HB TYR 32 1HB TYR 32 -6.832 5.133 -7.959 193 HD1 TYR 32 HD1 TYR 32 -8.284 5.789 -10.071 194 HD2 TYR 32 HD2 TYR 32 -9.732 5.739 -6.030 195 HE1 TYR 32 HE1 TYR 32 -10.112 7.336 -10.712 196 HE2 TYR 32 HE2 TYR 32 -11.563 7.286 -6.668 197 HH TYR 32 HH TYR 32 -12.765 7.753 -9.237 198 H ILE 33 H ILE 33 -6.861 1.568 -9.703 199 HA ILE 33 HA ILE 33 -5.460 0.277 -7.445 200 HB ILE 33 HB ILE 33 -6.647 -0.954 -9.273 201 1HG1 ILE 33 2HG1 ILE 33 -3.908 -1.834 -9.802 202 2HG1 ILE 33 1HG1 ILE 33 -4.190 -1.528 -8.088 203 1HG2 ILE 33 1HG2 ILE 33 -6.074 -0.736 -11.491 204 2HG2 ILE 33 2HG2 ILE 33 -4.379 -0.409 -11.128 205 3HG2 ILE 33 3HG2 ILE 33 -5.582 0.868 -10.949 206 1HD1 ILE 33 1HD1 ILE 33 -5.905 -3.284 -9.870 207 2HD1 ILE 33 2HD1 ILE 33 -6.204 -2.962 -8.162 208 3HD1 ILE 33 3HD1 ILE 33 -4.766 -3.857 -8.652 209 H ALA 34 H ALA 34 -3.706 1.495 -6.790 210 HA ALA 34 HA ALA 34 -1.620 2.024 -8.876 211 1HB ALA 34 1HB ALA 34 -3.143 4.010 -8.231 212 2HB ALA 34 2HB ALA 34 -1.402 4.277 -8.148 213 3HB ALA 34 3HB ALA 34 -2.318 3.969 -6.674 214 H GLN 35 H GLN 35 0.548 2.172 -7.978 215 HA GLN 35 HA GLN 35 0.812 0.972 -5.244 216 1HB GLN 35 2HB GLN 35 1.315 -0.596 -7.077 217 2HB GLN 35 1HB GLN 35 2.461 0.555 -7.759 218 1HG GLN 35 2HG GLN 35 3.234 0.295 -5.081 219 2HG GLN 35 1HG GLN 35 2.839 -1.345 -5.594 220 1HE2 GLN 35 1HE2 GLN 35 4.014 -2.202 -7.516 221 2HE2 GLN 35 2HE2 GLN 35 5.514 -1.540 -7.953 222 H CYS 36 H CYS 36 2.497 1.824 -3.946 223 HA CYS 36 HA CYS 36 4.240 3.945 -5.088 224 1HB CYS 36 2HB CYS 36 2.118 4.304 -2.965 225 2HB CYS 36 1HB CYS 36 3.440 5.450 -3.176 226 H ALA 37 H ALA 37 5.782 4.764 -3.301 227 HA ALA 37 HA ALA 37 6.229 2.865 -1.070 228 1HB ALA 37 1HB ALA 37 8.314 2.094 -1.887 229 2HB ALA 37 2HB ALA 37 8.430 3.398 -3.068 230 3HB ALA 37 3HB ALA 37 7.283 2.081 -3.318 231 HA PRO 38 HA PRO 38 7.684 6.595 0.750 232 1HB PRO 38 2HB PRO 38 9.308 5.589 2.702 233 2HB PRO 38 1HB PRO 38 7.537 5.529 2.788 234 1HG PRO 38 2HG PRO 38 9.465 3.391 2.023 235 2HG PRO 38 1HG PRO 38 7.973 3.278 2.970 236 1HD PRO 38 2HD PRO 38 8.145 2.551 0.343 237 2HD PRO 38 1HD PRO 38 6.647 3.124 1.107 238 H VAL 39 H VAL 39 9.760 7.785 1.215 239 HA VAL 39 HA VAL 39 12.092 6.717 -0.332 240 HB VAL 39 HB VAL 39 10.963 9.534 -0.418 241 1HG1 VAL 39 1HG1 VAL 39 12.487 9.604 -2.477 242 2HG1 VAL 39 2HG1 VAL 39 13.209 8.116 -1.868 243 3HG1 VAL 39 3HG1 VAL 39 13.300 9.594 -0.912 244 1HG2 VAL 39 1HG2 VAL 39 9.402 8.026 -1.502 245 2HG2 VAL 39 2HG2 VAL 39 10.714 7.208 -2.351 246 3HG2 VAL 39 3HG2 VAL 39 10.302 8.873 -2.761 247 H GLY 40 H GLY 40 14.124 7.353 0.517 248 1HA GLY 40 2HA GLY 40 14.418 7.766 3.260 249 2HA GLY 40 1HA GLY 40 15.642 8.242 2.081 250 H GLY 41 H GLY 41 13.990 10.190 0.718 251 1HA GLY 41 2HA GLY 41 14.415 12.439 2.512 252 2HA GLY 41 1HA GLY 41 13.773 12.535 0.875 253 H GLN 42 H GLN 42 11.575 10.788 1.158 254 HA GLN 42 HA GLN 42 9.943 11.513 3.451 255 1HB GLN 42 2HB GLN 42 10.154 13.275 1.139 256 2HB GLN 42 1HB GLN 42 8.488 12.768 1.417 257 1HG GLN 42 2HG GLN 42 10.048 13.570 3.820 258 2HG GLN 42 1HG GLN 42 9.598 14.861 2.704 259 1HE2 GLN 42 1HE2 GLN 42 7.744 15.826 3.557 260 2HE2 GLN 42 2HE2 GLN 42 6.389 14.980 4.132 261 H ASP 43 H ASP 43 8.874 11.331 0.069 262 HA ASP 43 HA ASP 43 8.216 8.482 0.209 263 1HB ASP 43 2HB ASP 43 6.550 10.055 1.609 264 2HB ASP 43 1HB ASP 43 5.822 10.257 0.015 265 H ALA 44 H ALA 44 6.959 7.832 -1.812 266 HA ALA 44 HA ALA 44 6.931 9.824 -4.000 267 1HB ALA 44 1HB ALA 44 8.879 7.559 -3.671 268 2HB ALA 44 2HB ALA 44 9.177 9.206 -4.230 269 3HB ALA 44 3HB ALA 44 8.387 8.041 -5.294 270 H CYS 45 H CYS 45 5.609 9.113 -5.759 271 HA CYS 45 HA CYS 45 4.201 6.496 -5.315 272 1HB CYS 45 2HB CYS 45 3.271 9.234 -5.420 273 2HB CYS 45 1HB CYS 45 2.523 8.295 -6.711 274 H ASN 46 H ASN 46 3.455 5.441 -7.313 275 HA ASN 46 HA ASN 46 5.192 6.137 -9.640 276 1HB ASN 46 2HB ASN 46 4.806 3.819 -8.357 277 2HB ASN 46 1HB ASN 46 3.478 3.698 -9.511 278 1HD2 ASN 46 1HD2 ASN 46 5.155 5.424 -11.456 279 2HD2 ASN 46 2HD2 ASN 46 6.261 4.321 -12.123 280 HA PRO 47 HA PRO 47 1.282 7.787 -11.222 281 1HB PRO 47 2HB PRO 47 2.453 9.406 -13.085 282 2HB PRO 47 1HB PRO 47 2.279 9.867 -11.380 283 1HG PRO 47 2HG PRO 47 4.667 8.830 -12.825 284 2HG PRO 47 1HG PRO 47 4.561 10.060 -11.556 285 1HD PRO 47 2HD PRO 47 5.358 7.480 -11.106 286 2HD PRO 47 1HD PRO 47 4.604 8.513 -9.872 287 H ALA 48 H ALA 48 4.045 6.453 -12.967 288 HA ALA 48 HA ALA 48 2.807 6.083 -15.520 289 1HB ALA 48 1HB ALA 48 4.732 4.039 -14.686 290 2HB ALA 48 2HB ALA 48 5.266 5.677 -14.305 291 3HB ALA 48 3HB ALA 48 4.866 5.244 -15.967 292 H THR 49 H THR 49 2.878 4.065 -12.604 293 HA THR 49 HA THR 49 1.285 1.959 -13.966 294 HB THR 49 HB THR 49 1.654 0.918 -11.610 295 HG1 THR 49 HG1 THR 49 2.210 2.932 -10.649 296 1HG2 THR 49 1HG2 THR 49 3.374 1.243 -13.909 297 2HG2 THR 49 2HG2 THR 49 3.167 -0.166 -12.869 298 3HG2 THR 49 3HG2 THR 49 4.338 1.080 -12.442 299 H ALA 50 H ALA 50 0.599 4.832 -12.470 300 HA ALA 50 HA ALA 50 -1.590 4.005 -10.720 301 1HB ALA 50 1HB ALA 50 -0.824 6.061 -10.066 302 2HB ALA 50 2HB ALA 50 -1.969 6.656 -11.268 303 3HB ALA 50 3HB ALA 50 -0.266 6.469 -11.689 304 H THR 51 H THR 51 -3.531 3.279 -11.525 305 HA THR 51 HA THR 51 -4.687 4.624 -13.901 306 HB THR 51 HB THR 51 -3.346 2.654 -14.635 307 HG1 THR 51 HG1 THR 51 -6.159 2.334 -14.818 308 1HG2 THR 51 1HG2 THR 51 -3.718 1.388 -12.486 309 2HG2 THR 51 2HG2 THR 51 -3.959 0.429 -13.947 310 3HG2 THR 51 3HG2 THR 51 -5.351 1.035 -13.050 311 H SER 52 H SER 52 -6.955 4.626 -13.886 312 HA SER 52 HA SER 52 -8.242 3.495 -11.427 313 1HB SER 52 2HB SER 52 -9.407 5.614 -13.204 314 2HB SER 52 1HB SER 52 -9.617 5.392 -11.470 315 HG SER 52 HG SER 52 -7.956 7.009 -12.634 316 H PHE 53 H PHE 53 -10.185 2.302 -11.678 317 HA PHE 53 HA PHE 53 -11.182 1.812 -14.446 318 1HB PHE 53 2HB PHE 53 -11.021 -0.623 -14.046 319 2HB PHE 53 1HB PHE 53 -9.434 0.138 -13.919 320 HD1 PHE 53 HD1 PHE 53 -8.703 0.912 -11.530 321 HD2 PHE 53 HD2 PHE 53 -11.812 -1.955 -12.287 322 HE1 PHE 53 HE1 PHE 53 -8.466 0.046 -9.220 323 HE2 PHE 53 HE2 PHE 53 -11.575 -2.821 -9.974 324 HZ PHE 53 HZ PHE 53 -9.902 -1.820 -8.442 325 H THR 54 H THR 54 -13.135 0.075 -14.077 326 HA THR 54 HA THR 54 -14.628 0.678 -11.591 327 HB THR 54 HB THR 54 -15.553 1.357 -14.401 328 HG1 THR 54 HG1 THR 54 -14.884 3.274 -13.919 329 1HG2 THR 54 1HG2 THR 54 -17.590 2.182 -13.335 330 2HG2 THR 54 2HG2 THR 54 -16.975 1.714 -11.750 331 3HG2 THR 54 3HG2 THR 54 -17.366 0.476 -12.943 332 H THR 55 H THR 55 -16.464 -0.820 -11.304 333 HA THR 55 HA THR 55 -15.936 -3.475 -12.350 334 HB THR 55 HB THR 55 -18.250 -3.856 -11.241 335 HG1 THR 55 HG1 THR 55 -18.729 -2.045 -9.837 336 1HG2 THR 55 1HG2 THR 55 -16.934 -4.400 -9.520 337 2HG2 THR 55 2HG2 THR 55 -16.785 -2.699 -9.080 338 3HG2 THR 55 3HG2 THR 55 -15.642 -3.419 -10.213 339 H ASP 56 H ASP 56 -18.520 -4.452 -12.978 340 HA ASP 56 HA ASP 56 -19.606 -2.806 -15.192 341 1HB ASP 56 2HB ASP 56 -17.374 -4.347 -15.680 342 2HB ASP 56 1HB ASP 56 -18.680 -5.431 -16.158 343 H ALA 57 H ALA 57 -20.725 -5.051 -16.624 344 HA ALA 57 HA ALA 57 -23.092 -5.542 -15.146 345 1HB ALA 57 1HB ALA 57 -22.581 -7.642 -17.027 346 2HB ALA 57 2HB ALA 57 -21.942 -6.134 -17.688 347 3HB ALA 57 3HB ALA 57 -23.641 -6.246 -17.227 348 H SER 58 H SER 58 -20.370 -7.730 -15.804 349 HA SER 58 HA SER 58 -21.321 -9.792 -14.020 350 1HB SER 58 2HB SER 58 -19.845 -10.341 -15.827 351 2HB SER 58 1HB SER 58 -18.689 -9.103 -15.348 352 HG SER 58 HG SER 58 -17.887 -10.429 -13.921 353 H GLY 59 H GLY 59 -20.051 -6.729 -13.439 354 1HA GLY 59 2HA GLY 59 -19.116 -5.696 -11.561 355 2HA GLY 59 1HA GLY 59 -19.941 -6.948 -10.646 356 H ALA 60 H ALA 60 -17.162 -6.962 -12.893 357 HA ALA 60 HA ALA 60 -15.449 -7.927 -10.689 358 1HB ALA 60 1HB ALA 60 -16.804 -9.640 -12.532 359 2HB ALA 60 2HB ALA 60 -15.666 -10.095 -11.264 360 3HB ALA 60 3HB ALA 60 -15.078 -9.717 -12.883 361 H ALA 61 H ALA 61 -13.481 -6.981 -10.936 362 HA ALA 61 HA ALA 61 -12.701 -6.060 -13.675 363 1HB ALA 61 1HB ALA 61 -13.015 -4.200 -12.229 364 2HB ALA 61 2HB ALA 61 -11.270 -4.456 -12.238 365 3HB ALA 61 3HB ALA 61 -12.239 -5.019 -10.877 366 H SER 62 H SER 62 -11.707 -8.159 -14.129 367 HA SER 62 HA SER 62 -9.254 -8.749 -12.516 368 1HB SER 62 2HB SER 62 -11.410 -10.297 -13.516 369 2HB SER 62 1HB SER 62 -9.984 -10.772 -14.434 370 HG SER 62 HG SER 62 -9.712 -11.958 -12.680 371 H PHE 63 H PHE 63 -7.268 -8.613 -13.545 372 HA PHE 63 HA PHE 63 -6.969 -8.811 -16.431 373 1HB PHE 63 2HB PHE 63 -6.339 -6.377 -16.705 374 2HB PHE 63 1HB PHE 63 -8.047 -6.652 -16.370 375 HD1 PHE 63 HD1 PHE 63 -9.060 -5.907 -14.326 376 HD2 PHE 63 HD2 PHE 63 -4.813 -5.602 -14.888 377 HE1 PHE 63 HE1 PHE 63 -8.897 -4.473 -12.309 378 HE2 PHE 63 HE2 PHE 63 -4.648 -4.169 -12.870 379 HZ PHE 63 HZ PHE 63 -6.691 -3.603 -11.579 380 H SER 64 H SER 64 -4.661 -8.043 -17.066 381 HA SER 64 HA SER 64 -2.787 -8.992 -14.967 382 1HB SER 64 2HB SER 64 -2.136 -8.261 -17.816 383 2HB SER 64 1HB SER 64 -1.369 -9.473 -16.795 384 HG SER 64 HG SER 64 -3.573 -10.471 -16.829 385 H PHE 65 H PHE 65 -1.853 -7.437 -13.706 386 HA PHE 65 HA PHE 65 -1.565 -4.663 -14.740 387 1HB PHE 65 2HB PHE 65 -2.686 -5.214 -12.560 388 2HB PHE 65 1HB PHE 65 -1.156 -5.870 -11.982 389 HD1 PHE 65 HD1 PHE 65 -2.231 -2.778 -13.830 390 HD2 PHE 65 HD2 PHE 65 -0.016 -4.450 -10.553 391 HE1 PHE 65 HE1 PHE 65 -1.514 -0.502 -13.152 392 HE2 PHE 65 HE2 PHE 65 0.702 -2.177 -9.874 393 HZ PHE 65 HZ PHE 65 -0.048 -0.203 -11.173 394 H VAL 66 H VAL 66 0.627 -3.651 -13.702 395 HA VAL 66 HA VAL 66 2.858 -5.606 -14.120 396 HB VAL 66 HB VAL 66 2.971 -2.770 -15.122 397 1HG1 VAL 66 1HG1 VAL 66 4.853 -4.700 -14.990 398 2HG1 VAL 66 2HG1 VAL 66 4.817 -3.493 -16.277 399 3HG1 VAL 66 3HG1 VAL 66 4.144 -5.099 -16.555 400 1HG2 VAL 66 1HG2 VAL 66 1.008 -3.458 -16.244 401 2HG2 VAL 66 2HG2 VAL 66 1.559 -5.126 -16.377 402 3HG2 VAL 66 3HG2 VAL 66 2.284 -3.876 -17.385 403 H VAL 67 H VAL 67 4.856 -4.975 -13.054 404 HA VAL 67 HA VAL 67 4.654 -2.720 -11.104 405 HB VAL 67 HB VAL 67 5.528 -4.380 -9.374 406 1HG1 VAL 67 1HG1 VAL 67 3.303 -5.251 -8.888 407 2HG1 VAL 67 2HG1 VAL 67 2.797 -4.974 -10.555 408 3HG1 VAL 67 3HG1 VAL 67 3.154 -3.604 -9.503 409 1HG2 VAL 67 1HG2 VAL 67 4.473 -6.432 -11.335 410 2HG2 VAL 67 2HG2 VAL 67 5.326 -6.723 -9.820 411 3HG2 VAL 67 3HG2 VAL 67 6.188 -6.045 -11.201 412 H ARG 68 H ARG 68 6.760 -1.997 -10.373 413 HA ARG 68 HA ARG 68 9.082 -3.166 -11.863 414 1HB ARG 68 2HB ARG 68 7.902 -0.440 -11.821 415 2HB ARG 68 1HB ARG 68 9.663 -0.521 -11.775 416 1HG ARG 68 2HG ARG 68 8.703 -2.412 -13.710 417 2HG ARG 68 1HG ARG 68 7.970 -0.841 -14.034 418 1HD ARG 68 2HD ARG 68 9.924 -0.092 -14.897 419 2HD ARG 68 1HD ARG 68 10.751 -0.460 -13.370 420 HE ARG 68 HE ARG 68 10.201 -2.864 -14.897 421 1HH1 ARG 68 1HH1 ARG 68 12.600 -1.064 -13.478 422 2HH1 ARG 68 2HH1 ARG 68 13.839 -1.452 -14.625 423 1HH2 ARG 68 1HH2 ARG 68 11.665 -2.986 -16.850 424 2HH2 ARG 68 2HH2 ARG 68 13.309 -2.541 -16.534 425 H LYS 69 H LYS 69 10.586 -3.800 -10.371 426 HA LYS 69 HA LYS 69 10.552 -3.375 -7.617 427 1HB LYS 69 2HB LYS 69 11.976 -4.935 -9.031 428 2HB LYS 69 1HB LYS 69 13.028 -3.555 -9.353 429 1HG LYS 69 2HG LYS 69 13.590 -3.320 -7.044 430 2HG LYS 69 1HG LYS 69 12.312 -4.431 -6.552 431 1HD LYS 69 2HD LYS 69 13.880 -5.861 -8.403 432 2HD LYS 69 1HD LYS 69 15.026 -5.030 -7.350 433 1HE LYS 69 2HE LYS 69 12.975 -6.017 -5.656 434 2HE LYS 69 1HE LYS 69 13.417 -7.342 -6.751 435 1HZ LYS 69 1HZ LYS 69 15.560 -5.672 -5.663 436 2HZ LYS 69 2HZ LYS 69 15.580 -7.320 -6.079 437 3HZ LYS 69 3HZ LYS 69 14.852 -6.814 -4.629 438 H SER 70 H SER 70 12.261 -1.449 -10.089 439 HA SER 70 HA SER 70 12.554 0.740 -8.058 440 1HB SER 70 2HB SER 70 14.292 0.198 -10.473 441 2HB SER 70 1HB SER 70 14.657 1.246 -9.106 442 HG SER 70 HG SER 70 15.162 -1.348 -9.395 443 H TYR 71 H TYR 71 11.682 2.711 -8.657 444 HA TYR 71 HA TYR 71 11.121 3.262 -11.521 445 1HB TYR 71 2HB TYR 71 8.750 3.524 -11.125 446 2HB TYR 71 1HB TYR 71 9.220 1.948 -10.487 447 HD1 TYR 71 HD1 TYR 71 8.044 5.307 -9.667 448 HD2 TYR 71 HD2 TYR 71 9.518 1.617 -8.039 449 HE1 TYR 71 HE1 TYR 71 7.240 5.977 -7.420 450 HE2 TYR 71 HE2 TYR 71 8.712 2.287 -5.792 451 HH TYR 71 HH TYR 71 6.650 5.013 -5.319 452 H THR 72 H THR 72 11.040 5.492 -11.941 453 HA THR 72 HA THR 72 12.200 7.298 -10.036 454 HB THR 72 HB THR 72 10.670 7.661 -12.625 455 HG1 THR 72 HG1 THR 72 12.557 6.675 -13.034 456 1HG2 THR 72 1HG2 THR 72 11.373 9.931 -12.678 457 2HG2 THR 72 2HG2 THR 72 12.461 9.703 -11.308 458 3HG2 THR 72 3HG2 THR 72 10.715 9.689 -11.059 459 H GLY 73 H GLY 73 11.192 9.007 -8.841 460 1HA GLY 73 2HA GLY 73 8.236 9.160 -8.855 461 2HA GLY 73 1HA GLY 73 8.995 8.681 -7.337 462 H SER 74 H SER 74 7.884 10.760 -6.632 463 HA SER 74 HA SER 74 9.865 12.962 -6.707 464 1HB SER 74 2HB SER 74 7.446 12.837 -8.310 465 2HB SER 74 1HB SER 74 7.400 14.220 -7.221 466 HG SER 74 HG SER 74 8.731 15.113 -8.572 467 H THR 75 H THR 75 8.325 14.938 -5.510 468 HA THR 75 HA THR 75 7.516 13.633 -2.940 469 HB THR 75 HB THR 75 8.036 16.033 -2.125 470 HG1 THR 75 HG1 THR 75 8.316 17.292 -3.785 471 1HG2 THR 75 1HG2 THR 75 10.442 14.702 -3.317 472 2HG2 THR 75 2HG2 THR 75 9.511 13.868 -2.074 473 3HG2 THR 75 3HG2 THR 75 10.251 15.430 -1.723 474 HA PRO 76 HA PRO 76 3.501 15.340 -3.363 475 1HB PRO 76 2HB PRO 76 2.860 15.922 -0.773 476 2HB PRO 76 1HB PRO 76 2.964 14.261 -1.391 477 1HG PRO 76 2HG PRO 76 4.881 15.775 0.289 478 2HG PRO 76 1HG PRO 76 4.519 14.043 0.263 479 1HD PRO 76 2HD PRO 76 6.742 15.237 -0.906 480 2HD PRO 76 1HD PRO 76 6.117 13.620 -1.295 481 H GLU 77 H GLU 77 6.102 17.228 -2.282 482 HA GLU 77 HA GLU 77 4.545 19.721 -1.983 483 1HB GLU 77 2HB GLU 77 6.982 18.616 -1.033 484 2HB GLU 77 1HB GLU 77 7.407 20.031 -1.998 485 1HG GLU 77 2HG GLU 77 6.949 21.175 -0.083 486 2HG GLU 77 1HG GLU 77 5.272 20.992 -0.600 487 H GLY 78 H GLY 78 5.423 17.988 -4.582 488 1HA GLY 78 2HA GLY 78 5.564 18.615 -6.853 489 2HA GLY 78 1HA GLY 78 5.445 20.302 -6.348 490 H THR 79 H THR 79 7.809 17.669 -5.751 491 HA THR 79 HA THR 79 9.928 19.341 -6.994 492 HB THR 79 HB THR 79 9.803 18.450 -4.104 493 HG1 THR 79 HG1 THR 79 10.504 21.006 -4.926 494 1HG2 THR 79 1HG2 THR 79 12.090 19.306 -3.884 495 2HG2 THR 79 2HG2 THR 79 12.133 19.664 -5.611 496 3HG2 THR 79 3HG2 THR 79 12.040 17.992 -5.060 497 HA PRO 80 HA PRO 80 11.072 15.214 -8.150 498 1HB PRO 80 2HB PRO 80 13.356 15.865 -9.503 499 2HB PRO 80 1HB PRO 80 11.732 16.122 -10.173 500 1HG PRO 80 2HG PRO 80 13.600 18.080 -8.943 501 2HG PRO 80 1HG PRO 80 12.476 18.284 -10.296 502 1HD PRO 80 2HD PRO 80 11.995 19.173 -7.735 503 2HD PRO 80 1HD PRO 80 10.727 18.810 -8.925 504 H VAL 81 H VAL 81 11.834 14.032 -6.403 505 HA VAL 81 HA VAL 81 14.225 14.935 -4.915 506 HB VAL 81 HB VAL 81 12.090 14.038 -3.897 507 1HG1 VAL 81 1HG1 VAL 81 11.681 11.649 -3.993 508 2HG1 VAL 81 2HG1 VAL 81 13.155 11.394 -4.928 509 3HG1 VAL 81 3HG1 VAL 81 11.794 12.255 -5.645 510 1HG2 VAL 81 1HG2 VAL 81 14.552 12.375 -3.293 511 2HG2 VAL 81 2HG2 VAL 81 13.242 12.775 -2.183 512 3HG2 VAL 81 3HG2 VAL 81 14.338 14.037 -2.744 513 H GLY 82 H GLY 82 13.410 12.725 -7.451 514 1HA GLY 82 2HA GLY 82 15.545 11.988 -8.676 515 2HA GLY 82 1HA GLY 82 16.021 11.335 -7.110 516 H SER 83 H SER 83 16.072 9.182 -7.984 517 HA SER 83 HA SER 83 13.480 8.065 -8.919 518 1HB SER 83 2HB SER 83 16.157 6.694 -8.690 519 2HB SER 83 1HB SER 83 14.822 6.285 -9.761 520 HG SER 83 HG SER 83 15.192 8.213 -10.868 521 H VAL 84 H VAL 84 12.757 5.987 -7.947 522 HA VAL 84 HA VAL 84 13.475 5.815 -5.039 523 HB VAL 84 HB VAL 84 10.900 5.188 -6.515 524 1HG1 VAL 84 1HG1 VAL 84 10.236 5.364 -3.890 525 2HG1 VAL 84 2HG1 VAL 84 11.867 4.705 -3.747 526 3HG1 VAL 84 3HG1 VAL 84 10.645 3.840 -4.679 527 1HG2 VAL 84 1HG2 VAL 84 11.725 7.647 -6.158 528 2HG2 VAL 84 2HG2 VAL 84 11.308 7.360 -4.469 529 3HG2 VAL 84 3HG2 VAL 84 10.069 7.235 -5.718 530 H ASP 85 H ASP 85 14.494 3.925 -4.513 531 HA ASP 85 HA ASP 85 14.236 1.613 -6.389 532 1HB ASP 85 2HB ASP 85 16.404 2.917 -5.283 533 2HB ASP 85 1HB ASP 85 16.220 1.529 -4.211 534 H CYS 86 H CYS 86 12.625 0.240 -5.695 535 HA CYS 86 HA CYS 86 12.026 -0.044 -2.813 536 1HB CYS 86 2HB CYS 86 10.540 -0.003 -5.104 537 2HB CYS 86 1HB CYS 86 10.699 -1.741 -4.845 538 H ALA 87 H ALA 87 14.402 -1.268 -4.637 539 HA ALA 87 HA ALA 87 14.241 -4.099 -4.466 540 1HB ALA 87 1HB ALA 87 16.501 -2.091 -4.429 541 2HB ALA 87 2HB ALA 87 15.917 -3.042 -5.795 542 3HB ALA 87 3HB ALA 87 16.796 -3.830 -4.484 543 H THR 88 H THR 88 15.456 -1.717 -2.095 544 HA THR 88 HA THR 88 15.639 -3.938 -0.086 545 HB THR 88 HB THR 88 17.703 -2.622 -0.800 546 HG1 THR 88 HG1 THR 88 16.849 -2.493 1.901 547 1HG2 THR 88 1HG2 THR 88 16.025 -0.457 -0.494 548 2HG2 THR 88 2HG2 THR 88 17.784 -0.370 -0.586 549 3HG2 THR 88 3HG2 THR 88 16.984 -0.405 0.985 550 H ALA 89 H ALA 89 13.639 -1.466 -1.015 551 HA ALA 89 HA ALA 89 12.945 -0.611 1.746 552 1HB ALA 89 1HB ALA 89 13.344 0.938 -0.275 553 2HB ALA 89 2HB ALA 89 11.880 1.221 0.667 554 3HB ALA 89 3HB ALA 89 11.789 0.357 -0.868 555 H ALA 90 H ALA 90 10.182 -0.002 0.525 556 HA ALA 90 HA ALA 90 9.059 -2.762 0.402 557 1HB ALA 90 1HB ALA 90 9.019 -2.142 2.738 558 2HB ALA 90 2HB ALA 90 7.372 -1.992 2.125 559 3HB ALA 90 3HB ALA 90 8.362 -0.550 2.352 560 H CYS 91 H CYS 91 7.205 -2.871 -0.893 561 HA CYS 91 HA CYS 91 6.142 -0.275 -1.953 562 1HB CYS 91 2HB CYS 91 7.251 -2.706 -3.264 563 2HB CYS 91 1HB CYS 91 5.843 -1.970 -4.034 564 H ASN 92 H ASN 92 3.918 -0.141 -1.886 565 HA ASN 92 HA ASN 92 2.381 -2.688 -1.456 566 1HB ASN 92 2HB ASN 92 1.891 0.022 -0.183 567 2HB ASN 92 1HB ASN 92 1.065 -1.488 0.204 568 1HD2 ASN 92 1HD2 ASN 92 4.116 0.282 0.586 569 2HD2 ASN 92 2HD2 ASN 92 4.784 -0.768 1.740 570 H LEU 93 H LEU 93 0.294 -2.738 -2.460 571 HA LEU 93 HA LEU 93 -0.287 -0.412 -4.278 572 1HB LEU 93 2HB LEU 93 0.588 -2.218 -5.598 573 2HB LEU 93 1HB LEU 93 -0.362 -3.412 -4.713 574 HG LEU 93 HG LEU 93 -2.321 -1.719 -5.657 575 1HD1 LEU 93 1HD1 LEU 93 -0.541 -0.545 -6.998 576 2HD1 LEU 93 2HD1 LEU 93 -1.843 -1.225 -7.971 577 3HD1 LEU 93 3HD1 LEU 93 -0.287 -2.051 -7.876 578 1HD2 LEU 93 1HD2 LEU 93 -1.563 -4.383 -5.906 579 2HD2 LEU 93 2HD2 LEU 93 -1.628 -3.818 -7.575 580 3HD2 LEU 93 3HD2 LEU 93 -3.048 -3.673 -6.540 581 H GLY 94 H GLY 94 -2.219 0.486 -3.640 582 1HA GLY 94 2HA GLY 94 -4.288 -1.385 -2.548 583 2HA GLY 94 1HA GLY 94 -4.050 0.233 -1.893 584 H ALA 95 H ALA 95 -6.520 -0.696 -2.926 585 HA ALA 95 HA ALA 95 -6.912 1.292 -5.107 586 1HB ALA 95 1HB ALA 95 -6.612 -0.659 -6.388 587 2HB ALA 95 2HB ALA 95 -8.359 -0.612 -6.180 588 3HB ALA 95 3HB ALA 95 -7.378 -1.683 -5.179 589 H GLY 96 H GLY 96 -9.009 2.243 -4.979 590 1HA GLY 96 2HA GLY 96 -11.347 1.177 -3.905 591 2HA GLY 96 1HA GLY 96 -10.483 1.824 -2.511 592 H ASN 97 H ASN 97 -12.830 3.016 -2.942 593 HA ASN 97 HA ASN 97 -12.175 5.552 -4.387 594 1HB ASN 97 2HB ASN 97 -14.528 5.671 -4.919 595 2HB ASN 97 1HB ASN 97 -13.990 4.036 -5.296 596 1HD2 ASN 97 1HD2 ASN 97 -16.491 5.652 -3.816 597 2HD2 ASN 97 2HD2 ASN 97 -16.983 4.458 -2.714 598 H SER 98 H SER 98 -14.848 6.465 -3.102 599 HA SER 98 HA SER 98 -13.726 7.095 -0.406 600 1HB SER 98 2HB SER 98 -14.748 8.702 -2.622 601 2HB SER 98 1HB SER 98 -15.526 9.096 -1.092 602 HG SER 98 HG SER 98 -13.578 10.276 -1.450 603 H GLY 99 H GLY 99 -15.149 4.865 -0.269 604 1HA GLY 99 2HA GLY 99 -17.296 5.315 1.446 605 2HA GLY 99 1HA GLY 99 -18.021 5.246 -0.160 606 H LEU 100 H LEU 100 -15.821 3.298 -1.003 607 HA LEU 100 HA LEU 100 -16.987 0.890 0.354 608 1HB LEU 100 2HB LEU 100 -17.748 1.068 -1.925 609 2HB LEU 100 1HB LEU 100 -16.124 1.439 -2.496 610 HG LEU 100 HG LEU 100 -17.085 -1.005 -2.772 611 1HD1 LEU 100 1HD1 LEU 100 -14.422 -1.312 -1.633 612 2HD1 LEU 100 2HD1 LEU 100 -14.531 0.119 -2.660 613 3HD1 LEU 100 3HD1 LEU 100 -14.948 -1.466 -3.309 614 1HD2 LEU 100 1HD2 LEU 100 -16.991 -2.421 -0.935 615 2HD2 LEU 100 2HD2 LEU 100 -17.460 -0.925 -0.129 616 3HD2 LEU 100 3HD2 LEU 100 -15.776 -1.445 -0.110 617 H ASP 101 H ASP 101 -14.138 1.737 -1.627 618 HA ASP 101 HA ASP 101 -11.863 1.166 -1.348 619 1HB ASP 101 2HB ASP 101 -12.368 2.449 0.749 620 2HB ASP 101 1HB ASP 101 -12.754 0.920 1.541 621 H LEU 102 H LEU 102 -11.144 -0.802 -2.048 622 HA LEU 102 HA LEU 102 -12.444 -3.287 -1.169 623 1HB LEU 102 2HB LEU 102 -10.130 -2.686 -3.034 624 2HB LEU 102 1HB LEU 102 -10.936 -4.248 -2.889 625 HG LEU 102 HG LEU 102 -12.481 -1.735 -3.530 626 1HD1 LEU 102 1HD1 LEU 102 -12.229 -3.154 -5.903 627 2HD1 LEU 102 2HD1 LEU 102 -10.602 -3.214 -5.223 628 3HD1 LEU 102 3HD1 LEU 102 -11.382 -1.658 -5.508 629 1HD2 LEU 102 1HD2 LEU 102 -14.232 -3.159 -3.661 630 2HD2 LEU 102 2HD2 LEU 102 -13.188 -4.379 -2.935 631 3HD2 LEU 102 3HD2 LEU 102 -13.328 -4.271 -4.690 632 H GLY 103 H GLY 103 -8.973 -2.537 -1.488 633 1HA GLY 103 2HA GLY 103 -8.267 -2.874 1.236 634 2HA GLY 103 1HA GLY 103 -8.170 -4.456 0.463 635 H HIS 104 H HIS 104 -5.816 -3.879 1.239 636 HA HIS 104 HA HIS 104 -4.394 -2.687 -1.118 637 1HB HIS 104 2HB HIS 104 -3.379 -2.477 1.714 638 2HB HIS 104 1HB HIS 104 -3.027 -1.432 0.340 639 HD1 HIS 104 HD1 HIS 104 -4.277 0.731 0.345 640 HD2 HIS 104 HD2 HIS 104 -6.308 -2.217 2.481 641 HE1 HIS 104 HE1 HIS 104 -6.338 1.841 1.321 642 H VAL 105 H VAL 105 -3.024 -4.211 -2.001 643 HA VAL 105 HA VAL 105 -2.323 -6.610 -0.397 644 HB VAL 105 HB VAL 105 -1.960 -5.881 -3.319 645 1HG1 VAL 105 1HG1 VAL 105 -0.570 -7.663 -3.344 646 2HG1 VAL 105 2HG1 VAL 105 -1.993 -8.656 -3.030 647 3HG1 VAL 105 3HG1 VAL 105 -0.991 -8.102 -1.689 648 1HG2 VAL 105 1HG2 VAL 105 -4.325 -6.266 -2.113 649 2HG2 VAL 105 2HG2 VAL 105 -3.879 -7.956 -2.347 650 3HG2 VAL 105 3HG2 VAL 105 -4.003 -6.878 -3.736 651 H ALA 106 H ALA 106 -0.506 -6.228 0.861 652 HA ALA 106 HA ALA 106 1.599 -4.391 0.221 653 1HB ALA 106 1HB ALA 106 2.223 -6.777 1.867 654 2HB ALA 106 2HB ALA 106 0.791 -5.878 2.372 655 3HB ALA 106 3HB ALA 106 2.355 -5.067 2.278 656 H LEU 107 H LEU 107 2.859 -4.647 -1.603 657 HA LEU 107 HA LEU 107 3.404 -7.331 -2.692 658 1HB LEU 107 2HB LEU 107 4.268 -4.545 -3.519 659 2HB LEU 107 1HB LEU 107 4.461 -6.004 -4.491 660 HG LEU 107 HG LEU 107 1.789 -4.988 -3.489 661 1HD1 LEU 107 1HD1 LEU 107 2.794 -4.844 -6.330 662 2HD1 LEU 107 2HD1 LEU 107 3.068 -3.522 -5.196 663 3HD1 LEU 107 3HD1 LEU 107 1.422 -4.006 -5.609 664 1HD2 LEU 107 1HD2 LEU 107 2.145 -7.473 -4.044 665 2HD2 LEU 107 2HD2 LEU 107 2.382 -6.955 -5.712 666 3HD2 LEU 107 3HD2 LEU 107 0.841 -6.659 -4.908 667 H THR 108 H THR 108 5.266 -8.449 -2.382 668 HA THR 108 HA THR 108 7.497 -7.086 -0.915 669 HB THR 108 HB THR 108 6.857 -10.041 -1.078 670 HG1 THR 108 HG1 THR 108 6.157 -8.532 1.147 671 1HG2 THR 108 1HG2 THR 108 8.898 -10.013 -0.064 672 2HG2 THR 108 2HG2 THR 108 7.963 -9.558 1.361 673 3HG2 THR 108 3HG2 THR 108 8.759 -8.316 0.394 674 H PHE 109 H PHE 109 9.688 -8.123 -1.449 675 HA PHE 109 HA PHE 109 9.799 -9.065 -4.288 676 1HB PHE 109 2HB PHE 109 11.018 -6.700 -2.938 677 2HB PHE 109 1HB PHE 109 11.998 -7.533 -4.146 678 HD1 PHE 109 HD1 PHE 109 8.695 -5.906 -3.581 679 HD2 PHE 109 HD2 PHE 109 11.550 -7.307 -6.468 680 HE1 PHE 109 HE1 PHE 109 7.399 -4.812 -5.392 681 HE2 PHE 109 HE2 PHE 109 10.255 -6.213 -8.279 682 HZ PHE 109 HZ PHE 109 8.179 -4.966 -7.742 683 H GLY 110 H GLY 110 11.912 -10.157 -4.771 684 1HA GLY 110 2HA GLY 110 12.579 -12.134 -2.861 685 2HA GLY 110 1HA GLY 110 13.591 -11.708 -4.243 Start of MODEL 9 1 1H ALA 1 1H ALA 1 -18.440 -5.027 2.817 2 2H ALA 1 2H ALA 1 -18.479 -6.466 1.915 3 3H ALA 1 3H ALA 1 -18.804 -4.981 1.158 4 HA ALA 1 HA ALA 1 -16.518 -4.257 1.554 5 1HB ALA 1 1HB ALA 1 -16.775 -6.515 3.343 6 2HB ALA 1 2HB ALA 1 -15.527 -5.269 3.313 7 3HB ALA 1 3HB ALA 1 -15.355 -6.714 2.317 8 HA PRO 2 HA PRO 2 -16.288 -6.202 -2.445 9 1HB PRO 2 2HB PRO 2 -14.170 -4.751 -3.379 10 2HB PRO 2 1HB PRO 2 -15.821 -4.104 -3.290 11 1HG PRO 2 2HG PRO 2 -13.518 -3.670 -1.450 12 2HG PRO 2 1HG PRO 2 -14.755 -2.528 -1.999 13 1HD PRO 2 2HD PRO 2 -14.799 -3.727 0.454 14 2HD PRO 2 1HD PRO 2 -16.260 -3.185 -0.401 15 H ALA 3 H ALA 3 -13.833 -6.592 -3.762 16 HA ALA 3 HA ALA 3 -12.122 -8.105 -1.839 17 1HB ALA 3 1HB ALA 3 -13.140 -9.283 -4.430 18 2HB ALA 3 2HB ALA 3 -14.023 -9.469 -2.917 19 3HB ALA 3 3HB ALA 3 -12.394 -10.127 -3.074 20 H PHE 4 H PHE 4 -9.963 -7.884 -2.351 21 HA PHE 4 HA PHE 4 -9.174 -7.219 -5.146 22 1HB PHE 4 2HB PHE 4 -9.541 -5.072 -4.073 23 2HB PHE 4 1HB PHE 4 -8.618 -5.578 -2.656 24 HD1 PHE 4 HD1 PHE 4 -8.214 -5.360 -6.381 25 HD2 PHE 4 HD2 PHE 4 -6.384 -4.911 -2.519 26 HE1 PHE 4 HE1 PHE 4 -6.129 -4.571 -7.461 27 HE2 PHE 4 HE2 PHE 4 -4.299 -4.120 -3.605 28 HZ PHE 4 HZ PHE 4 -4.178 -3.951 -6.073 29 H SER 5 H SER 5 -7.726 -8.894 -5.511 30 HA SER 5 HA SER 5 -5.461 -9.165 -3.591 31 1HB SER 5 2HB SER 5 -7.687 -11.002 -3.974 32 2HB SER 5 1HB SER 5 -6.140 -11.788 -4.273 33 HG SER 5 HG SER 5 -7.150 -11.449 -1.976 34 H VAL 6 H VAL 6 -3.565 -10.010 -4.562 35 HA VAL 6 HA VAL 6 -3.661 -10.258 -7.554 36 HB VAL 6 HB VAL 6 -2.515 -8.259 -6.517 37 1HG1 VAL 6 1HG1 VAL 6 -1.446 -10.312 -4.849 38 2HG1 VAL 6 2HG1 VAL 6 -1.159 -8.575 -4.752 39 3HG1 VAL 6 3HG1 VAL 6 -0.104 -9.589 -5.736 40 1HG2 VAL 6 1HG2 VAL 6 -1.415 -10.183 -8.419 41 2HG2 VAL 6 2HG2 VAL 6 -0.150 -9.237 -7.637 42 3HG2 VAL 6 3HG2 VAL 6 -1.449 -8.422 -8.508 43 H SER 7 H SER 7 -2.221 -11.892 -8.468 44 HA SER 7 HA SER 7 -2.017 -14.292 -6.854 45 1HB SER 7 2HB SER 7 -1.546 -13.398 -9.627 46 2HB SER 7 1HB SER 7 -0.542 -14.751 -9.114 47 HG SER 7 HG SER 7 -2.895 -14.995 -9.979 48 HA PRO 8 HA PRO 8 2.667 -13.656 -6.903 49 1HB PRO 8 2HB PRO 8 3.804 -11.698 -8.416 50 2HB PRO 8 1HB PRO 8 3.410 -13.300 -9.067 51 1HG PRO 8 2HG PRO 8 1.956 -10.727 -9.374 52 2HG PRO 8 1HG PRO 8 2.185 -12.042 -10.536 53 1HD PRO 8 2HD PRO 8 -0.125 -11.627 -9.099 54 2HD PRO 8 1HD PRO 8 0.377 -13.187 -9.786 55 H ALA 9 H ALA 9 1.612 -12.652 -4.853 56 HA ALA 9 HA ALA 9 1.855 -9.723 -4.598 57 1HB ALA 9 1HB ALA 9 0.083 -10.409 -3.326 58 2HB ALA 9 2HB ALA 9 1.325 -10.704 -2.107 59 3HB ALA 9 3HB ALA 9 0.744 -12.030 -3.113 60 H SER 10 H SER 10 3.957 -12.368 -4.302 61 HA SER 10 HA SER 10 5.889 -10.684 -2.768 62 1HB SER 10 2HB SER 10 6.379 -12.593 -1.314 63 2HB SER 10 1HB SER 10 4.659 -12.222 -1.233 64 HG SER 10 HG SER 10 4.241 -14.084 -2.126 65 H GLY 11 H GLY 11 7.754 -10.616 -3.948 66 1HA GLY 11 2HA GLY 11 9.657 -11.628 -5.017 67 2HA GLY 11 1HA GLY 11 8.694 -13.080 -5.299 68 H LEU 12 H LEU 12 8.985 -9.678 -6.313 69 HA LEU 12 HA LEU 12 7.851 -10.477 -8.975 70 1HB LEU 12 2HB LEU 12 7.770 -7.847 -7.458 71 2HB LEU 12 1HB LEU 12 7.073 -8.109 -9.057 72 HG LEU 12 HG LEU 12 6.235 -10.111 -7.074 73 1HD1 LEU 12 1HD1 LEU 12 5.895 -7.182 -6.570 74 2HD1 LEU 12 2HD1 LEU 12 6.061 -8.506 -5.417 75 3HD1 LEU 12 3HD1 LEU 12 4.524 -8.241 -6.239 76 1HD2 LEU 12 1HD2 LEU 12 5.335 -9.612 -9.441 77 2HD2 LEU 12 2HD2 LEU 12 4.542 -8.216 -8.713 78 3HD2 LEU 12 3HD2 LEU 12 4.140 -9.843 -8.166 79 H SER 13 H SER 13 8.742 -9.099 -10.796 80 HA SER 13 HA SER 13 11.572 -8.288 -10.275 81 1HB SER 13 2HB SER 13 10.435 -9.527 -12.786 82 2HB SER 13 1HB SER 13 12.136 -9.306 -12.386 83 HG SER 13 HG SER 13 11.046 -11.459 -12.009 84 H ASP 14 H ASP 14 12.364 -6.612 -11.818 85 HA ASP 14 HA ASP 14 10.557 -4.421 -12.127 86 1HB ASP 14 2HB ASP 14 12.438 -3.433 -13.350 87 2HB ASP 14 1HB ASP 14 13.047 -4.333 -11.961 88 H GLY 15 H GLY 15 8.930 -4.231 -13.616 89 1HA GLY 15 2HA GLY 15 8.064 -4.134 -15.847 90 2HA GLY 15 1HA GLY 15 9.400 -5.162 -16.372 91 H GLN 16 H GLN 16 8.924 -7.043 -14.112 92 HA GLN 16 HA GLN 16 7.494 -9.083 -15.298 93 1HB GLN 16 2HB GLN 16 8.732 -8.745 -12.958 94 2HB GLN 16 1HB GLN 16 7.070 -8.600 -12.378 95 1HG GLN 16 2HG GLN 16 6.789 -10.768 -13.960 96 2HG GLN 16 1HG GLN 16 8.480 -10.964 -13.502 97 1HE2 GLN 16 1HE2 GLN 16 6.978 -12.930 -12.469 98 2HE2 GLN 16 2HE2 GLN 16 6.601 -12.672 -10.834 99 H SER 17 H SER 17 5.325 -9.687 -15.481 100 HA SER 17 HA SER 17 3.324 -7.544 -14.990 101 1HB SER 17 2HB SER 17 1.967 -8.958 -16.515 102 2HB SER 17 1HB SER 17 3.536 -8.579 -17.220 103 HG SER 17 HG SER 17 3.559 -10.694 -17.434 104 H VAL 18 H VAL 18 1.395 -8.005 -13.770 105 HA VAL 18 HA VAL 18 1.473 -10.515 -12.139 106 HB VAL 18 HB VAL 18 0.829 -9.113 -10.207 107 1HG1 VAL 18 1HG1 VAL 18 3.119 -9.254 -10.135 108 2HG1 VAL 18 2HG1 VAL 18 2.993 -7.521 -10.437 109 3HG1 VAL 18 3HG1 VAL 18 3.314 -8.628 -11.770 110 1HG2 VAL 18 1HG2 VAL 18 0.601 -7.077 -12.368 111 2HG2 VAL 18 2HG2 VAL 18 1.287 -6.515 -10.844 112 3HG2 VAL 18 3HG2 VAL 18 -0.321 -7.238 -10.874 113 H SER 19 H SER 19 -0.653 -11.250 -11.454 114 HA SER 19 HA SER 19 -2.841 -10.258 -13.227 115 1HB SER 19 2HB SER 19 -2.393 -12.785 -11.622 116 2HB SER 19 1HB SER 19 -3.852 -12.472 -12.555 117 HG SER 19 HG SER 19 -1.322 -12.204 -13.750 118 H VAL 20 H VAL 20 -4.594 -9.202 -12.328 119 HA VAL 20 HA VAL 20 -4.816 -9.223 -9.337 120 HB VAL 20 HB VAL 20 -5.072 -7.073 -11.436 121 1HG1 VAL 20 1HG1 VAL 20 -6.673 -7.384 -8.990 122 2HG1 VAL 20 2HG1 VAL 20 -6.907 -6.290 -10.354 123 3HG1 VAL 20 3HG1 VAL 20 -5.792 -5.857 -9.058 124 1HG2 VAL 20 1HG2 VAL 20 -3.868 -6.659 -8.749 125 2HG2 VAL 20 2HG2 VAL 20 -3.308 -6.113 -10.330 126 3HG2 VAL 20 3HG2 VAL 20 -3.024 -7.776 -9.820 127 H SER 21 H SER 21 -6.926 -9.397 -8.494 128 HA SER 21 HA SER 21 -9.154 -9.730 -10.465 129 1HB SER 21 2HB SER 21 -8.870 -11.604 -8.145 130 2HB SER 21 1HB SER 21 -9.607 -11.886 -9.721 131 HG SER 21 HG SER 21 -7.629 -12.940 -9.634 132 H VAL 22 H VAL 22 -10.876 -8.529 -9.802 133 HA VAL 22 HA VAL 22 -11.109 -7.847 -6.891 134 HB VAL 22 HB VAL 22 -11.910 -6.348 -9.404 135 1HG1 VAL 22 1HG1 VAL 22 -12.778 -6.107 -6.650 136 2HG1 VAL 22 2HG1 VAL 22 -13.324 -5.213 -8.069 137 3HG1 VAL 22 3HG1 VAL 22 -11.923 -4.650 -7.159 138 1HG2 VAL 22 1HG2 VAL 22 -9.534 -6.356 -7.632 139 2HG2 VAL 22 2HG2 VAL 22 -10.162 -4.760 -8.043 140 3HG2 VAL 22 3HG2 VAL 22 -9.675 -5.873 -9.322 141 H SER 23 H SER 23 -13.132 -8.181 -5.933 142 HA SER 23 HA SER 23 -15.466 -8.846 -7.629 143 1HB SER 23 2HB SER 23 -13.761 -10.836 -6.880 144 2HB SER 23 1HB SER 23 -14.864 -10.833 -5.509 145 HG SER 23 HG SER 23 -15.412 -11.230 -8.256 146 H GLY 24 H GLY 24 -17.420 -8.497 -6.514 147 1HA GLY 24 2HA GLY 24 -18.549 -8.438 -4.249 148 2HA GLY 24 1HA GLY 24 -17.146 -7.520 -3.698 149 H ALA 25 H ALA 25 -16.701 -5.583 -5.400 150 HA ALA 25 HA ALA 25 -18.685 -3.630 -5.024 151 1HB ALA 25 1HB ALA 25 -16.493 -2.973 -5.650 152 2HB ALA 25 2HB ALA 25 -17.469 -2.585 -7.067 153 3HB ALA 25 3HB ALA 25 -16.482 -4.048 -7.047 154 H ALA 26 H ALA 26 -19.627 -2.501 -7.244 155 HA ALA 26 HA ALA 26 -20.721 -4.539 -9.089 156 1HB ALA 26 1HB ALA 26 -22.028 -4.133 -6.768 157 2HB ALA 26 2HB ALA 26 -22.876 -4.492 -8.274 158 3HB ALA 26 3HB ALA 26 -22.736 -2.825 -7.718 159 H ALA 27 H ALA 27 -21.754 -3.588 -10.926 160 HA ALA 27 HA ALA 27 -20.635 -1.478 -12.239 161 1HB ALA 27 1HB ALA 27 -23.140 -1.209 -13.125 162 2HB ALA 27 2HB ALA 27 -23.375 -2.664 -12.156 163 3HB ALA 27 3HB ALA 27 -22.198 -2.659 -13.469 164 H GLY 28 H GLY 28 -20.586 0.718 -12.051 165 1HA GLY 28 2HA GLY 28 -21.691 2.845 -11.587 166 2HA GLY 28 1HA GLY 28 -22.613 2.030 -10.328 167 H GLU 29 H GLU 29 -19.296 1.134 -10.463 168 HA GLU 29 HA GLU 29 -18.554 3.167 -8.416 169 1HB GLU 29 2HB GLU 29 -19.328 0.447 -7.979 170 2HB GLU 29 1HB GLU 29 -17.614 0.608 -7.605 171 1HG GLU 29 2HG GLU 29 -18.731 1.154 -5.575 172 2HG GLU 29 1HG GLU 29 -18.267 2.708 -6.271 173 H THR 30 H THR 30 -16.617 3.987 -9.097 174 HA THR 30 HA THR 30 -14.826 2.271 -10.758 175 HB THR 30 HB THR 30 -14.685 5.248 -10.232 176 HG1 THR 30 HG1 THR 30 -16.089 5.538 -11.858 177 1HG2 THR 30 1HG2 THR 30 -12.921 3.593 -11.491 178 2HG2 THR 30 2HG2 THR 30 -13.119 5.302 -11.880 179 3HG2 THR 30 3HG2 THR 30 -13.948 4.077 -12.841 180 H TYR 31 H TYR 31 -12.630 2.011 -10.139 181 HA TYR 31 HA TYR 31 -11.858 3.076 -7.458 182 1HB TYR 31 2HB TYR 31 -11.529 0.249 -8.495 183 2HB TYR 31 1HB TYR 31 -11.048 0.829 -6.900 184 HD1 TYR 31 HD1 TYR 31 -13.460 -1.042 -8.424 185 HD2 TYR 31 HD2 TYR 31 -13.123 2.386 -5.864 186 HE1 TYR 31 HE1 TYR 31 -15.757 -1.448 -7.571 187 HE2 TYR 31 HE2 TYR 31 -15.417 1.976 -5.016 188 HH TYR 31 HH TYR 31 -16.915 -0.381 -4.871 189 H TYR 32 H TYR 32 -9.429 2.717 -7.120 190 HA TYR 32 HA TYR 32 -7.987 3.133 -9.716 191 1HB TYR 32 2HB TYR 32 -7.622 4.262 -6.929 192 2HB TYR 32 1HB TYR 32 -6.448 4.495 -8.223 193 HD1 TYR 32 HD1 TYR 32 -8.078 4.874 -10.595 194 HD2 TYR 32 HD2 TYR 32 -8.715 6.310 -6.598 195 HE1 TYR 32 HE1 TYR 32 -9.422 6.760 -11.487 196 HE2 TYR 32 HE2 TYR 32 -10.058 8.196 -7.488 197 HH TYR 32 HH TYR 32 -10.310 9.446 -9.573 198 H ILE 33 H ILE 33 -5.629 2.477 -9.552 199 HA ILE 33 HA ILE 33 -5.010 0.418 -7.514 200 HB ILE 33 HB ILE 33 -6.295 -0.722 -9.301 201 1HG1 ILE 33 2HG1 ILE 33 -3.486 -1.576 -9.845 202 2HG1 ILE 33 1HG1 ILE 33 -4.026 -1.599 -8.166 203 1HG2 ILE 33 1HG2 ILE 33 -4.089 -0.191 -11.250 204 2HG2 ILE 33 2HG2 ILE 33 -5.304 1.065 -11.007 205 3HG2 ILE 33 3HG2 ILE 33 -5.792 -0.541 -11.550 206 1HD1 ILE 33 1HD1 ILE 33 -5.198 -3.085 -10.518 207 2HD1 ILE 33 2HD1 ILE 33 -6.098 -2.855 -9.019 208 3HD1 ILE 33 3HD1 ILE 33 -4.579 -3.750 -9.007 209 H ALA 34 H ALA 34 -3.189 1.663 -6.892 210 HA ALA 34 HA ALA 34 -0.992 1.763 -8.917 211 1HB ALA 34 1HB ALA 34 -0.530 4.085 -8.232 212 2HB ALA 34 2HB ALA 34 -1.878 4.023 -7.096 213 3HB ALA 34 3HB ALA 34 -2.182 3.936 -8.830 214 H GLN 35 H GLN 35 1.154 2.018 -7.892 215 HA GLN 35 HA GLN 35 1.217 0.956 -5.086 216 1HB GLN 35 2HB GLN 35 2.051 -0.716 -6.524 217 2HB GLN 35 1HB GLN 35 2.813 0.457 -7.594 218 1HG GLN 35 2HG GLN 35 4.361 1.020 -5.614 219 2HG GLN 35 1HG GLN 35 3.744 -0.451 -4.863 220 1HE2 GLN 35 1HE2 GLN 35 4.760 -2.387 -5.474 221 2HE2 GLN 35 2HE2 GLN 35 5.794 -2.549 -6.811 222 H CYS 36 H CYS 36 2.522 2.065 -3.614 223 HA CYS 36 HA CYS 36 4.242 4.279 -4.663 224 1HB CYS 36 2HB CYS 36 2.105 4.363 -2.518 225 2HB CYS 36 1HB CYS 36 3.291 5.648 -2.747 226 H ALA 37 H ALA 37 5.848 5.003 -3.022 227 HA ALA 37 HA ALA 37 6.321 3.176 -0.734 228 1HB ALA 37 1HB ALA 37 7.312 2.369 -3.022 229 2HB ALA 37 2HB ALA 37 8.342 2.331 -1.591 230 3HB ALA 37 3HB ALA 37 8.501 3.645 -2.758 231 HA PRO 38 HA PRO 38 7.982 6.874 0.936 232 1HB PRO 38 2HB PRO 38 9.759 5.897 2.759 233 2HB PRO 38 1HB PRO 38 8.002 5.825 2.982 234 1HG PRO 38 2HG PRO 38 9.888 3.688 2.147 235 2HG PRO 38 1HG PRO 38 8.423 3.579 3.134 236 1HD PRO 38 2HD PRO 38 8.572 2.868 0.469 237 2HD PRO 38 1HD PRO 38 7.072 3.309 1.315 238 H VAL 39 H VAL 39 10.050 8.103 1.184 239 HA VAL 39 HA VAL 39 12.352 7.001 -0.368 240 HB VAL 39 HB VAL 39 12.320 9.463 -1.404 241 1HG1 VAL 39 1HG1 VAL 39 12.226 7.491 -2.777 242 2HG1 VAL 39 2HG1 VAL 39 10.902 8.543 -3.279 243 3HG1 VAL 39 3HG1 VAL 39 10.577 7.141 -2.259 244 1HG2 VAL 39 1HG2 VAL 39 10.183 10.450 -1.611 245 2HG2 VAL 39 2HG2 VAL 39 10.223 9.930 0.073 246 3HG2 VAL 39 3HG2 VAL 39 9.352 8.973 -1.124 247 H GLY 40 H GLY 40 14.281 8.572 -0.159 248 1HA GLY 40 2HA GLY 40 14.932 9.015 2.545 249 2HA GLY 40 1HA GLY 40 15.733 9.826 1.199 250 H GLY 41 H GLY 41 13.502 11.263 0.184 251 1HA GLY 41 2HA GLY 41 13.526 13.544 1.938 252 2HA GLY 41 1HA GLY 41 12.511 13.370 0.508 253 H GLN 42 H GLN 42 10.786 11.495 0.923 254 HA GLN 42 HA GLN 42 9.753 11.310 3.646 255 1HB GLN 42 2HB GLN 42 8.924 13.427 1.746 256 2HB GLN 42 1HB GLN 42 7.602 12.592 2.566 257 1HG GLN 42 2HG GLN 42 9.092 12.963 4.708 258 2HG GLN 42 1HG GLN 42 9.810 14.249 3.737 259 1HE2 GLN 42 1HE2 GLN 42 7.933 15.602 2.519 260 2HE2 GLN 42 2HE2 GLN 42 6.648 16.068 3.527 261 H ASP 43 H ASP 43 8.179 11.517 0.438 262 HA ASP 43 HA ASP 43 7.837 8.605 0.300 263 1HB ASP 43 2HB ASP 43 6.122 9.850 1.926 264 2HB ASP 43 1HB ASP 43 5.298 10.177 0.399 265 H ALA 44 H ALA 44 6.548 8.023 -1.701 266 HA ALA 44 HA ALA 44 6.134 10.153 -3.691 267 1HB ALA 44 1HB ALA 44 8.166 9.958 -4.653 268 2HB ALA 44 2HB ALA 44 7.909 8.228 -4.871 269 3HB ALA 44 3HB ALA 44 8.635 8.831 -3.382 270 H CYS 45 H CYS 45 5.516 9.043 -5.870 271 HA CYS 45 HA CYS 45 4.238 6.378 -5.411 272 1HB CYS 45 2HB CYS 45 3.024 9.034 -6.031 273 2HB CYS 45 1HB CYS 45 2.315 7.620 -6.809 274 H ASN 46 H ASN 46 3.758 5.252 -7.441 275 HA ASN 46 HA ASN 46 5.625 6.030 -9.620 276 1HB ASN 46 2HB ASN 46 5.589 3.749 -8.580 277 2HB ASN 46 1HB ASN 46 3.946 3.540 -9.187 278 1HD2 ASN 46 1HD2 ASN 46 5.314 1.644 -10.304 279 2HD2 ASN 46 2HD2 ASN 46 5.928 2.018 -11.843 280 HA PRO 47 HA PRO 47 1.953 7.585 -11.676 281 1HB PRO 47 2HB PRO 47 3.287 8.768 -13.747 282 2HB PRO 47 1HB PRO 47 3.140 9.509 -12.142 283 1HG PRO 47 2HG PRO 47 5.440 8.065 -13.353 284 2HG PRO 47 1HG PRO 47 5.427 9.466 -12.270 285 1HD PRO 47 2HD PRO 47 5.971 6.895 -11.460 286 2HD PRO 47 1HD PRO 47 5.352 8.172 -10.390 287 H ALA 48 H ALA 48 4.584 5.723 -13.114 288 HA ALA 48 HA ALA 48 3.347 5.059 -15.602 289 1HB ALA 48 1HB ALA 48 5.006 3.206 -15.548 290 2HB ALA 48 2HB ALA 48 5.293 3.540 -13.841 291 3HB ALA 48 3HB ALA 48 5.724 4.741 -15.059 292 H THR 49 H THR 49 3.206 3.516 -12.408 293 HA THR 49 HA THR 49 1.429 1.375 -13.391 294 HB THR 49 HB THR 49 1.489 0.986 -10.774 295 HG1 THR 49 HG1 THR 49 2.444 2.677 -9.934 296 1HG2 THR 49 1HG2 THR 49 2.650 -0.625 -11.928 297 2HG2 THR 49 2HG2 THR 49 4.021 0.218 -11.206 298 3HG2 THR 49 3HG2 THR 49 3.555 0.556 -12.874 299 H ALA 50 H ALA 50 0.884 4.534 -12.843 300 HA ALA 50 HA ALA 50 -1.428 4.437 -11.064 301 1HB ALA 50 1HB ALA 50 -1.305 6.726 -12.824 302 2HB ALA 50 2HB ALA 50 0.309 6.337 -12.231 303 3HB ALA 50 3HB ALA 50 -0.999 6.653 -11.089 304 H THR 51 H THR 51 -3.373 3.610 -11.716 305 HA THR 51 HA THR 51 -4.461 4.319 -14.360 306 HB THR 51 HB THR 51 -3.056 2.324 -14.755 307 HG1 THR 51 HG1 THR 51 -5.187 2.607 -15.751 308 1HG2 THR 51 1HG2 THR 51 -2.957 0.616 -13.293 309 2HG2 THR 51 2HG2 THR 51 -4.713 0.451 -13.273 310 3HG2 THR 51 3HG2 THR 51 -3.922 1.609 -12.202 311 H SER 52 H SER 52 -6.779 3.361 -14.525 312 HA SER 52 HA SER 52 -7.981 2.875 -11.836 313 1HB SER 52 2HB SER 52 -9.433 4.717 -12.056 314 2HB SER 52 1HB SER 52 -7.905 5.343 -12.670 315 HG SER 52 HG SER 52 -10.164 5.328 -13.922 316 H PHE 53 H PHE 53 -9.919 1.654 -11.927 317 HA PHE 53 HA PHE 53 -10.844 0.793 -14.637 318 1HB PHE 53 2HB PHE 53 -10.878 -1.528 -13.771 319 2HB PHE 53 1HB PHE 53 -9.256 -0.846 -13.694 320 HD1 PHE 53 HD1 PHE 53 -12.114 -2.063 -11.775 321 HD2 PHE 53 HD2 PHE 53 -8.315 -0.073 -11.520 322 HE1 PHE 53 HE1 PHE 53 -12.045 -2.507 -9.335 323 HE2 PHE 53 HE2 PHE 53 -8.248 -0.516 -9.079 324 HZ PHE 53 HZ PHE 53 -10.113 -1.734 -7.989 325 H THR 54 H THR 54 -12.937 -0.741 -14.082 326 HA THR 54 HA THR 54 -14.547 0.488 -11.916 327 HB THR 54 HB THR 54 -15.433 0.382 -14.811 328 HG1 THR 54 HG1 THR 54 -14.102 1.999 -14.984 329 1HG2 THR 54 1HG2 THR 54 -16.545 2.132 -12.636 330 2HG2 THR 54 2HG2 THR 54 -17.075 0.457 -12.785 331 3HG2 THR 54 3HG2 THR 54 -17.320 1.582 -14.122 332 H THR 55 H THR 55 -16.430 -0.821 -11.370 333 HA THR 55 HA THR 55 -16.038 -3.676 -11.810 334 HB THR 55 HB THR 55 -18.474 -3.510 -10.670 335 HG1 THR 55 HG1 THR 55 -18.974 -1.525 -10.344 336 1HG2 THR 55 1HG2 THR 55 -15.981 -4.044 -9.799 337 2HG2 THR 55 2HG2 THR 55 -17.367 -3.932 -8.716 338 3HG2 THR 55 3HG2 THR 55 -16.290 -2.555 -8.913 339 H ASP 56 H ASP 56 -18.774 -4.525 -12.166 340 HA ASP 56 HA ASP 56 -19.684 -3.341 -14.728 341 1HB ASP 56 2HB ASP 56 -17.721 -5.112 -14.930 342 2HB ASP 56 1HB ASP 56 -19.038 -6.267 -14.720 343 H ALA 57 H ALA 57 -21.232 -5.629 -15.506 344 HA ALA 57 HA ALA 57 -23.555 -5.312 -13.887 345 1HB ALA 57 1HB ALA 57 -24.379 -7.215 -15.248 346 2HB ALA 57 2HB ALA 57 -22.725 -7.544 -15.764 347 3HB ALA 57 3HB ALA 57 -23.519 -6.045 -16.250 348 H SER 58 H SER 58 -21.163 -7.940 -14.023 349 HA SER 58 HA SER 58 -22.383 -9.322 -11.736 350 1HB SER 58 2HB SER 58 -21.235 -10.357 -13.764 351 2HB SER 58 1HB SER 58 -19.711 -9.778 -13.101 352 HG SER 58 HG SER 58 -21.521 -11.687 -12.069 353 H GLY 59 H GLY 59 -20.795 -6.519 -11.844 354 1HA GLY 59 2HA GLY 59 -19.379 -5.317 -10.413 355 2HA GLY 59 1HA GLY 59 -20.046 -6.343 -9.151 356 H ALA 60 H ALA 60 -17.921 -7.034 -11.932 357 HA ALA 60 HA ALA 60 -15.880 -8.047 -9.991 358 1HB ALA 60 1HB ALA 60 -17.047 -9.345 -12.465 359 2HB ALA 60 2HB ALA 60 -17.070 -9.965 -10.812 360 3HB ALA 60 3HB ALA 60 -15.554 -9.910 -11.713 361 H ALA 61 H ALA 61 -13.767 -7.472 -10.540 362 HA ALA 61 HA ALA 61 -13.317 -6.287 -13.252 363 1HB ALA 61 1HB ALA 61 -12.686 -4.288 -12.336 364 2HB ALA 61 2HB ALA 61 -11.941 -5.057 -10.934 365 3HB ALA 61 3HB ALA 61 -13.688 -4.825 -10.988 366 H SER 62 H SER 62 -12.215 -8.351 -13.716 367 HA SER 62 HA SER 62 -9.629 -8.750 -12.248 368 1HB SER 62 2HB SER 62 -9.842 -11.001 -13.541 369 2HB SER 62 1HB SER 62 -10.949 -10.723 -12.200 370 HG SER 62 HG SER 62 -11.672 -11.367 -14.538 371 H PHE 63 H PHE 63 -7.797 -8.107 -13.353 372 HA PHE 63 HA PHE 63 -7.725 -8.329 -16.311 373 1HB PHE 63 2HB PHE 63 -7.037 -5.857 -16.378 374 2HB PHE 63 1HB PHE 63 -8.741 -6.189 -16.064 375 HD1 PHE 63 HD1 PHE 63 -5.533 -5.914 -14.123 376 HD2 PHE 63 HD2 PHE 63 -9.730 -5.015 -14.314 377 HE1 PHE 63 HE1 PHE 63 -5.369 -4.704 -11.968 378 HE2 PHE 63 HE2 PHE 63 -9.567 -3.803 -12.154 379 HZ PHE 63 HZ PHE 63 -7.384 -3.647 -10.980 380 H SER 64 H SER 64 -5.502 -7.280 -17.042 381 HA SER 64 HA SER 64 -3.396 -8.511 -15.337 382 1HB SER 64 2HB SER 64 -2.432 -8.986 -17.348 383 2HB SER 64 1HB SER 64 -4.009 -8.577 -18.021 384 HG SER 64 HG SER 64 -3.161 -6.837 -18.840 385 H PHE 65 H PHE 65 -1.864 -7.277 -14.328 386 HA PHE 65 HA PHE 65 -1.754 -4.340 -14.916 387 1HB PHE 65 2HB PHE 65 -2.932 -4.942 -12.805 388 2HB PHE 65 1HB PHE 65 -1.497 -5.816 -12.271 389 HD1 PHE 65 HD1 PHE 65 -2.143 -2.469 -13.860 390 HD2 PHE 65 HD2 PHE 65 -0.272 -4.661 -10.673 391 HE1 PHE 65 HE1 PHE 65 -1.167 -0.363 -12.981 392 HE2 PHE 65 HE2 PHE 65 0.699 -2.557 -9.796 393 HZ PHE 65 HZ PHE 65 0.254 -0.412 -10.951 394 H VAL 66 H VAL 66 0.463 -3.483 -13.823 395 HA VAL 66 HA VAL 66 2.623 -5.499 -14.320 396 HB VAL 66 HB VAL 66 2.748 -2.604 -15.165 397 1HG1 VAL 66 1HG1 VAL 66 4.881 -3.338 -15.458 398 2HG1 VAL 66 2HG1 VAL 66 4.227 -4.090 -16.913 399 3HG1 VAL 66 3HG1 VAL 66 4.402 -5.036 -15.435 400 1HG2 VAL 66 1HG2 VAL 66 0.959 -3.239 -16.501 401 2HG2 VAL 66 2HG2 VAL 66 1.424 -4.940 -16.491 402 3HG2 VAL 66 3HG2 VAL 66 2.301 -3.791 -17.502 403 H VAL 67 H VAL 67 4.690 -4.896 -13.286 404 HA VAL 67 HA VAL 67 4.434 -2.911 -11.057 405 HB VAL 67 HB VAL 67 5.482 -4.642 -9.585 406 1HG1 VAL 67 1HG1 VAL 67 2.954 -5.592 -10.969 407 2HG1 VAL 67 2HG1 VAL 67 3.006 -4.358 -9.710 408 3HG1 VAL 67 3HG1 VAL 67 3.475 -6.017 -9.338 409 1HG2 VAL 67 1HG2 VAL 67 4.960 -6.504 -11.924 410 2HG2 VAL 67 2HG2 VAL 67 5.677 -6.932 -10.371 411 3HG2 VAL 67 3HG2 VAL 67 6.556 -5.890 -11.490 412 H ARG 68 H ARG 68 6.804 -2.818 -9.976 413 HA ARG 68 HA ARG 68 8.953 -3.148 -11.992 414 1HB ARG 68 2HB ARG 68 7.927 -0.519 -10.900 415 2HB ARG 68 1HB ARG 68 9.504 -0.680 -11.671 416 1HG ARG 68 2HG ARG 68 8.435 -1.518 -13.721 417 2HG ARG 68 1HG ARG 68 6.853 -1.393 -12.952 418 1HD ARG 68 2HD ARG 68 6.728 0.834 -13.370 419 2HD ARG 68 1HD ARG 68 8.376 1.103 -12.763 420 HE ARG 68 HE ARG 68 9.238 0.561 -14.962 421 1HH1 ARG 68 1HH1 ARG 68 5.952 -0.314 -14.769 422 2HH1 ARG 68 2HH1 ARG 68 5.597 0.062 -16.422 423 1HH2 ARG 68 1HH2 ARG 68 8.733 1.396 -17.066 424 2HH2 ARG 68 2HH2 ARG 68 7.174 1.029 -17.723 425 H LYS 69 H LYS 69 11.064 -3.014 -11.025 426 HA LYS 69 HA LYS 69 11.106 -3.630 -8.156 427 1HB LYS 69 2HB LYS 69 12.481 -4.863 -9.753 428 2HB LYS 69 1HB LYS 69 13.223 -3.364 -10.314 429 1HG LYS 69 2HG LYS 69 13.670 -3.223 -7.611 430 2HG LYS 69 1HG LYS 69 13.803 -4.958 -7.906 431 1HD LYS 69 2HD LYS 69 15.204 -3.970 -10.028 432 2HD LYS 69 1HD LYS 69 15.561 -2.757 -8.798 433 1HE LYS 69 2HE LYS 69 15.828 -5.736 -8.283 434 2HE LYS 69 1HE LYS 69 17.177 -4.719 -8.828 435 1HZ LYS 69 1HZ LYS 69 15.485 -4.161 -6.450 436 2HZ LYS 69 2HZ LYS 69 16.830 -3.257 -6.964 437 3HZ LYS 69 3HZ LYS 69 17.036 -4.843 -6.389 438 H SER 70 H SER 70 11.748 -0.920 -10.256 439 HA SER 70 HA SER 70 12.210 0.813 -7.899 440 1HB SER 70 2HB SER 70 14.092 0.977 -10.225 441 2HB SER 70 1HB SER 70 14.350 1.479 -8.558 442 HG SER 70 HG SER 70 15.268 -0.400 -8.355 443 H TYR 71 H TYR 71 10.518 2.203 -8.291 444 HA TYR 71 HA TYR 71 10.093 3.184 -11.083 445 1HB TYR 71 2HB TYR 71 7.851 3.629 -10.364 446 2HB TYR 71 1HB TYR 71 8.276 2.063 -9.672 447 HD1 TYR 71 HD1 TYR 71 7.845 5.670 -8.944 448 HD2 TYR 71 HD2 TYR 71 8.544 1.767 -7.294 449 HE1 TYR 71 HE1 TYR 71 7.405 6.552 -6.668 450 HE2 TYR 71 HE2 TYR 71 8.106 2.650 -5.018 451 HH TYR 71 HH TYR 71 6.743 5.756 -4.487 452 H THR 72 H THR 72 10.190 5.405 -11.526 453 HA THR 72 HA THR 72 11.761 7.064 -9.733 454 HB THR 72 HB THR 72 10.184 8.082 -12.074 455 HG1 THR 72 HG1 THR 72 12.158 7.157 -13.228 456 1HG2 THR 72 1HG2 THR 72 11.905 9.594 -12.273 457 2HG2 THR 72 2HG2 THR 72 13.114 8.453 -11.686 458 3HG2 THR 72 3HG2 THR 72 12.037 9.260 -10.546 459 H GLY 73 H GLY 73 10.855 7.995 -7.939 460 1HA GLY 73 2HA GLY 73 7.958 8.614 -7.914 461 2HA GLY 73 1HA GLY 73 9.046 8.698 -6.526 462 H SER 74 H SER 74 7.693 10.866 -6.478 463 HA SER 74 HA SER 74 9.499 13.016 -7.112 464 1HB SER 74 2HB SER 74 7.519 12.139 -9.109 465 2HB SER 74 1HB SER 74 7.514 13.872 -8.801 466 HG SER 74 HG SER 74 9.677 13.943 -9.319 467 H THR 75 H THR 75 8.705 15.046 -6.294 468 HA THR 75 HA THR 75 6.484 14.773 -4.363 469 HB THR 75 HB THR 75 7.378 17.009 -3.656 470 HG1 THR 75 HG1 THR 75 8.861 17.976 -4.828 471 1HG2 THR 75 1HG2 THR 75 8.964 15.948 -2.445 472 2HG2 THR 75 2HG2 THR 75 9.857 15.466 -3.886 473 3HG2 THR 75 3HG2 THR 75 8.484 14.504 -3.336 474 HA PRO 76 HA PRO 76 3.671 17.088 -6.819 475 1HB PRO 76 2HB PRO 76 2.076 18.133 -4.876 476 2HB PRO 76 1HB PRO 76 2.070 16.413 -5.305 477 1HG PRO 76 2HG PRO 76 3.237 17.760 -2.951 478 2HG PRO 76 1HG PRO 76 2.625 16.109 -3.123 479 1HD PRO 76 2HD PRO 76 5.326 16.901 -3.134 480 2HD PRO 76 1HD PRO 76 4.689 15.308 -3.594 481 H GLU 77 H GLU 77 5.574 18.719 -4.387 482 HA GLU 77 HA GLU 77 4.692 21.419 -5.023 483 1HB GLU 77 2HB GLU 77 5.580 20.926 -2.850 484 2HB GLU 77 1HB GLU 77 7.031 20.199 -3.546 485 1HG GLU 77 2HG GLU 77 8.049 22.202 -3.533 486 2HG GLU 77 1HG GLU 77 6.788 22.851 -4.582 487 H GLY 78 H GLY 78 8.002 20.161 -5.301 488 1HA GLY 78 2HA GLY 78 8.328 20.424 -8.095 489 2HA GLY 78 1HA GLY 78 8.705 21.996 -7.392 490 H THR 79 H THR 79 9.396 18.584 -6.555 491 HA THR 79 HA THR 79 12.297 19.144 -6.665 492 HB THR 79 HB THR 79 10.710 18.577 -4.152 493 HG1 THR 79 HG1 THR 79 11.007 20.685 -4.278 494 1HG2 THR 79 1HG2 THR 79 12.500 17.019 -3.997 495 2HG2 THR 79 2HG2 THR 79 13.039 18.428 -3.082 496 3HG2 THR 79 3HG2 THR 79 13.647 18.151 -4.714 497 HA PRO 80 HA PRO 80 11.467 14.903 -7.947 498 1HB PRO 80 2HB PRO 80 13.780 14.626 -9.378 499 2HB PRO 80 1HB PRO 80 12.332 15.427 -10.022 500 1HG PRO 80 2HG PRO 80 14.823 16.624 -8.921 501 2HG PRO 80 1HG PRO 80 13.809 17.163 -10.268 502 1HD PRO 80 2HD PRO 80 13.752 18.285 -7.761 503 2HD PRO 80 1HD PRO 80 12.388 18.323 -8.901 504 H VAL 81 H VAL 81 11.773 13.698 -6.067 505 HA VAL 81 HA VAL 81 14.119 13.731 -4.433 506 HB VAL 81 HB VAL 81 12.028 11.573 -4.842 507 1HG1 VAL 81 1HG1 VAL 81 14.331 11.788 -3.121 508 2HG1 VAL 81 2HG1 VAL 81 13.168 10.469 -3.246 509 3HG1 VAL 81 3HG1 VAL 81 12.862 11.811 -2.145 510 1HG2 VAL 81 1HG2 VAL 81 10.737 13.426 -4.291 511 2HG2 VAL 81 2HG2 VAL 81 12.043 14.199 -3.395 512 3HG2 VAL 81 3HG2 VAL 81 11.162 12.849 -2.680 513 H GLY 82 H GLY 82 13.196 11.754 -7.215 514 1HA GLY 82 2HA GLY 82 15.246 11.043 -8.569 515 2HA GLY 82 1HA GLY 82 15.843 10.401 -7.041 516 H SER 83 H SER 83 15.891 8.253 -7.863 517 HA SER 83 HA SER 83 13.420 7.021 -8.871 518 1HB SER 83 2HB SER 83 16.034 6.639 -9.345 519 2HB SER 83 1HB SER 83 15.823 5.452 -8.061 520 HG SER 83 HG SER 83 15.125 4.281 -9.679 521 H VAL 84 H VAL 84 12.663 4.951 -7.808 522 HA VAL 84 HA VAL 84 13.070 4.934 -4.844 523 HB VAL 84 HB VAL 84 10.458 4.969 -6.385 524 1HG1 VAL 84 1HG1 VAL 84 11.130 4.385 -3.508 525 2HG1 VAL 84 2HG1 VAL 84 10.008 3.541 -4.576 526 3HG1 VAL 84 3HG1 VAL 84 9.583 5.123 -3.924 527 1HG2 VAL 84 1HG2 VAL 84 12.089 6.969 -4.946 528 2HG2 VAL 84 2HG2 VAL 84 10.379 6.970 -4.515 529 3HG2 VAL 84 3HG2 VAL 84 10.866 7.204 -6.194 530 H ASP 85 H ASP 85 13.944 2.909 -4.561 531 HA ASP 85 HA ASP 85 13.024 0.650 -6.246 532 1HB ASP 85 2HB ASP 85 15.074 0.671 -4.020 533 2HB ASP 85 1HB ASP 85 14.979 -0.437 -5.390 534 H CYS 86 H CYS 86 12.385 -1.400 -5.181 535 HA CYS 86 HA CYS 86 10.864 -0.893 -2.651 536 1HB CYS 86 2HB CYS 86 10.532 -2.852 -4.942 537 2HB CYS 86 1HB CYS 86 9.515 -2.845 -3.503 538 H ALA 87 H ALA 87 13.699 -2.285 -3.691 539 HA ALA 87 HA ALA 87 13.652 -4.830 -2.310 540 1HB ALA 87 1HB ALA 87 15.662 -2.989 -3.558 541 2HB ALA 87 2HB ALA 87 15.269 -4.657 -3.975 542 3HB ALA 87 3HB ALA 87 16.246 -4.311 -2.548 543 H THR 88 H THR 88 15.442 -1.816 -1.513 544 HA THR 88 HA THR 88 15.936 -2.674 1.222 545 HB THR 88 HB THR 88 17.371 -1.172 -0.210 546 HG1 THR 88 HG1 THR 88 16.522 0.173 2.120 547 1HG2 THR 88 1HG2 THR 88 16.693 1.219 -0.328 548 2HG2 THR 88 2HG2 THR 88 15.132 0.786 0.368 549 3HG2 THR 88 3HG2 THR 88 15.594 0.165 -1.216 550 H ALA 89 H ALA 89 13.516 -0.678 -0.381 551 HA ALA 89 HA ALA 89 12.305 -0.022 2.265 552 1HB ALA 89 1HB ALA 89 11.452 1.895 1.209 553 2HB ALA 89 2HB ALA 89 11.525 1.154 -0.389 554 3HB ALA 89 3HB ALA 89 13.008 1.682 0.405 555 H ALA 90 H ALA 90 9.977 -0.327 2.493 556 HA ALA 90 HA ALA 90 8.986 -2.712 1.080 557 1HB ALA 90 1HB ALA 90 8.565 -2.632 3.405 558 2HB ALA 90 2HB ALA 90 7.016 -2.185 2.688 559 3HB ALA 90 3HB ALA 90 8.078 -0.938 3.342 560 H CYS 91 H CYS 91 7.472 -2.676 -0.561 561 HA CYS 91 HA CYS 91 6.337 -0.007 -1.307 562 1HB CYS 91 2HB CYS 91 7.422 -2.364 -2.792 563 2HB CYS 91 1HB CYS 91 6.133 -1.439 -3.561 564 H ASN 92 H ASN 92 4.091 0.142 -1.490 565 HA ASN 92 HA ASN 92 2.553 -2.416 -1.143 566 1HB ASN 92 2HB ASN 92 2.341 0.295 0.148 567 2HB ASN 92 1HB ASN 92 0.937 -0.771 0.079 568 1HD2 ASN 92 1HD2 ASN 92 3.044 0.095 2.301 569 2HD2 ASN 92 2HD2 ASN 92 3.380 -1.381 3.066 570 H LEU 93 H LEU 93 0.525 -2.508 -2.224 571 HA LEU 93 HA LEU 93 0.092 -0.411 -4.333 572 1HB LEU 93 2HB LEU 93 0.930 -2.421 -5.341 573 2HB LEU 93 1HB LEU 93 -0.094 -3.438 -4.329 574 HG LEU 93 HG LEU 93 -2.047 -2.084 -5.506 575 1HD1 LEU 93 1HD1 LEU 93 0.098 -2.039 -7.641 576 2HD1 LEU 93 2HD1 LEU 93 -0.328 -0.622 -6.684 577 3HD1 LEU 93 3HD1 LEU 93 -1.530 -1.367 -7.736 578 1HD2 LEU 93 1HD2 LEU 93 -2.416 -4.079 -6.516 579 2HD2 LEU 93 2HD2 LEU 93 -0.889 -4.592 -5.809 580 3HD2 LEU 93 3HD2 LEU 93 -0.933 -3.964 -7.456 581 H GLY 94 H GLY 94 -1.711 0.720 -3.588 582 1HA GLY 94 2HA GLY 94 -3.918 -0.882 -2.364 583 2HA GLY 94 1HA GLY 94 -3.669 0.841 -2.091 584 H ALA 95 H ALA 95 -6.147 -0.116 -2.893 585 HA ALA 95 HA ALA 95 -6.413 1.191 -5.554 586 1HB ALA 95 1HB ALA 95 -6.212 -1.152 -6.068 587 2HB ALA 95 2HB ALA 95 -7.926 -0.756 -6.189 588 3HB ALA 95 3HB ALA 95 -7.313 -1.589 -4.761 589 H GLY 96 H GLY 96 -8.243 2.457 -5.624 590 1HA GLY 96 2HA GLY 96 -10.761 2.300 -4.846 591 2HA GLY 96 1HA GLY 96 -10.021 2.420 -3.248 592 H ASN 97 H ASN 97 -11.671 4.431 -3.674 593 HA ASN 97 HA ASN 97 -10.104 6.698 -4.808 594 1HB ASN 97 2HB ASN 97 -12.265 7.790 -4.985 595 2HB ASN 97 1HB ASN 97 -12.426 6.152 -5.623 596 1HD2 ASN 97 1HD2 ASN 97 -13.256 8.248 -2.889 597 2HD2 ASN 97 2HD2 ASN 97 -14.390 7.193 -2.200 598 H SER 98 H SER 98 -11.445 8.748 -3.368 599 HA SER 98 HA SER 98 -10.022 8.586 -0.803 600 1HB SER 98 2HB SER 98 -11.285 10.604 -2.551 601 2HB SER 98 1HB SER 98 -11.384 10.959 -0.828 602 HG SER 98 HG SER 98 -9.112 10.650 -0.736 603 H GLY 99 H GLY 99 -12.086 6.684 -0.885 604 1HA GLY 99 2HA GLY 99 -13.569 7.340 1.481 605 2HA GLY 99 1HA GLY 99 -14.613 7.479 0.066 606 H LEU 100 H LEU 100 -13.868 5.433 -1.541 607 HA LEU 100 HA LEU 100 -14.537 3.043 0.123 608 1HB LEU 100 2HB LEU 100 -15.986 3.844 -1.797 609 2HB LEU 100 1HB LEU 100 -14.658 3.423 -2.880 610 HG LEU 100 HG LEU 100 -15.713 1.409 -0.907 611 1HD1 LEU 100 1HD1 LEU 100 -17.590 2.374 -2.343 612 2HD1 LEU 100 2HD1 LEU 100 -17.339 0.635 -2.481 613 3HD1 LEU 100 3HD1 LEU 100 -16.737 1.715 -3.737 614 1HD2 LEU 100 1HD2 LEU 100 -14.987 0.014 -3.062 615 2HD2 LEU 100 2HD2 LEU 100 -13.794 0.552 -1.880 616 3HD2 LEU 100 3HD2 LEU 100 -14.021 1.458 -3.376 617 H ASP 101 H ASP 101 -12.374 2.519 0.805 618 HA ASP 101 HA ASP 101 -10.383 1.941 -1.337 619 1HB ASP 101 2HB ASP 101 -10.017 3.341 0.833 620 2HB ASP 101 1HB ASP 101 -9.962 1.776 1.644 621 H LEU 102 H LEU 102 -10.225 -0.153 -2.016 622 HA LEU 102 HA LEU 102 -11.620 -2.319 -0.678 623 1HB LEU 102 2HB LEU 102 -9.528 -2.338 -2.876 624 2HB LEU 102 1HB LEU 102 -10.692 -3.619 -2.531 625 HG LEU 102 HG LEU 102 -12.282 -1.351 -2.771 626 1HD1 LEU 102 1HD1 LEU 102 -9.789 -0.902 -4.151 627 2HD1 LEU 102 2HD1 LEU 102 -11.191 0.161 -4.031 628 3HD1 LEU 102 3HD1 LEU 102 -11.099 -1.035 -5.324 629 1HD2 LEU 102 1HD2 LEU 102 -11.647 -3.776 -4.350 630 2HD2 LEU 102 2HD2 LEU 102 -12.439 -2.483 -5.248 631 3HD2 LEU 102 3HD2 LEU 102 -13.210 -3.160 -3.813 632 H GLY 103 H GLY 103 -8.307 -1.118 -0.704 633 1HA GLY 103 2HA GLY 103 -7.263 -1.863 1.601 634 2HA GLY 103 1HA GLY 103 -7.431 -3.465 0.888 635 H HIS 104 H HIS 104 -4.977 -3.313 1.276 636 HA HIS 104 HA HIS 104 -3.711 -2.411 -1.266 637 1HB HIS 104 2HB HIS 104 -1.902 -1.356 0.089 638 2HB HIS 104 1HB HIS 104 -3.468 -0.597 0.368 639 HD1 HIS 104 HD1 HIS 104 -1.025 -3.001 1.975 640 HD2 HIS 104 HD2 HIS 104 -4.459 -0.864 2.986 641 HE1 HIS 104 HE1 HIS 104 -1.301 -3.232 4.485 642 H VAL 105 H VAL 105 -2.465 -4.078 -2.035 643 HA VAL 105 HA VAL 105 -1.807 -6.342 -0.237 644 HB VAL 105 HB VAL 105 -1.525 -5.880 -3.222 645 1HG1 VAL 105 1HG1 VAL 105 -0.413 -7.898 -1.499 646 2HG1 VAL 105 2HG1 VAL 105 -0.271 -7.749 -3.250 647 3HG1 VAL 105 3HG1 VAL 105 -1.623 -8.638 -2.547 648 1HG2 VAL 105 1HG2 VAL 105 -3.613 -6.814 -3.468 649 2HG2 VAL 105 2HG2 VAL 105 -3.839 -6.135 -1.856 650 3HG2 VAL 105 3HG2 VAL 105 -3.436 -7.842 -2.045 651 H ALA 106 H ALA 106 0.234 -6.593 0.607 652 HA ALA 106 HA ALA 106 2.326 -4.644 0.073 653 1HB ALA 106 1HB ALA 106 3.525 -6.596 1.500 654 2HB ALA 106 2HB ALA 106 1.840 -7.034 1.782 655 3HB ALA 106 3HB ALA 106 2.422 -5.432 2.235 656 H LEU 107 H LEU 107 4.062 -4.848 -1.324 657 HA LEU 107 HA LEU 107 4.239 -7.379 -2.920 658 1HB LEU 107 2HB LEU 107 5.113 -4.529 -3.504 659 2HB LEU 107 1HB LEU 107 5.246 -5.883 -4.627 660 HG LEU 107 HG LEU 107 2.643 -4.901 -3.425 661 1HD1 LEU 107 1HD1 LEU 107 4.157 -4.175 -5.882 662 2HD1 LEU 107 2HD1 LEU 107 3.033 -3.209 -4.928 663 3HD1 LEU 107 3HD1 LEU 107 2.419 -4.408 -6.067 664 1HD2 LEU 107 1HD2 LEU 107 3.453 -7.271 -4.922 665 2HD2 LEU 107 2HD2 LEU 107 2.191 -6.369 -5.761 666 3HD2 LEU 107 3HD2 LEU 107 1.924 -6.932 -4.110 667 H THR 108 H THR 108 5.968 -8.639 -2.354 668 HA THR 108 HA THR 108 8.249 -7.459 -0.884 669 HB THR 108 HB THR 108 8.002 -10.329 -1.721 670 HG1 THR 108 HG1 THR 108 6.035 -10.235 -0.956 671 1HG2 THR 108 1HG2 THR 108 9.819 -10.197 -0.345 672 2HG2 THR 108 2HG2 THR 108 8.593 -10.290 0.918 673 3HG2 THR 108 3HG2 THR 108 9.246 -8.723 0.437 674 H PHE 109 H PHE 109 10.483 -7.943 -1.608 675 HA PHE 109 HA PHE 109 10.797 -8.593 -4.496 676 1HB PHE 109 2HB PHE 109 10.926 -5.970 -3.236 677 2HB PHE 109 1HB PHE 109 12.441 -6.371 -4.044 678 HD1 PHE 109 HD1 PHE 109 12.223 -7.392 -6.458 679 HD2 PHE 109 HD2 PHE 109 9.141 -5.132 -4.496 680 HE1 PHE 109 HE1 PHE 109 11.179 -6.907 -8.655 681 HE2 PHE 109 HE2 PHE 109 8.097 -4.649 -6.694 682 HZ PHE 109 HZ PHE 109 9.117 -5.536 -8.773 683 H GLY 110 H GLY 110 11.781 -10.525 -3.350 684 1HA GLY 110 2HA GLY 110 13.963 -11.560 -3.210 685 2HA GLY 110 1HA GLY 110 14.649 -9.986 -2.804 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -17.920 -6.795 3.434 2 2H ALA 1 2H ALA 1 -16.843 -6.591 4.731 3 3H ALA 1 3H ALA 1 -16.648 -7.897 3.662 4 HA ALA 1 HA ALA 1 -16.441 -5.058 2.802 5 1HB ALA 1 1HB ALA 1 -14.773 -6.597 4.514 6 2HB ALA 1 2HB ALA 1 -14.420 -5.021 3.807 7 3HB ALA 1 3HB ALA 1 -13.951 -6.494 2.957 8 HA PRO 2 HA PRO 2 -16.146 -6.850 -1.187 9 1HB PRO 2 2HB PRO 2 -14.237 -5.304 -2.394 10 2HB PRO 2 1HB PRO 2 -15.877 -4.716 -2.037 11 1HG PRO 2 2HG PRO 2 -13.329 -4.237 -0.567 12 2HG PRO 2 1HG PRO 2 -14.685 -3.137 -0.868 13 1HD PRO 2 2HD PRO 2 -14.267 -4.425 1.515 14 2HD PRO 2 1HD PRO 2 -15.862 -3.887 0.946 15 H ALA 3 H ALA 3 -13.846 -7.076 -2.857 16 HA ALA 3 HA ALA 3 -11.893 -8.642 -1.227 17 1HB ALA 3 1HB ALA 3 -12.310 -10.611 -2.421 18 2HB ALA 3 2HB ALA 3 -13.010 -9.745 -3.790 19 3HB ALA 3 3HB ALA 3 -13.929 -9.922 -2.296 20 H PHE 4 H PHE 4 -9.821 -8.412 -1.967 21 HA PHE 4 HA PHE 4 -9.296 -7.548 -4.763 22 1HB PHE 4 2HB PHE 4 -9.635 -5.476 -3.502 23 2HB PHE 4 1HB PHE 4 -8.521 -6.025 -2.251 24 HD1 PHE 4 HD1 PHE 4 -8.728 -5.213 -5.888 25 HD2 PHE 4 HD2 PHE 4 -6.193 -5.640 -2.447 26 HE1 PHE 4 HE1 PHE 4 -6.829 -4.276 -7.175 27 HE2 PHE 4 HE2 PHE 4 -4.292 -4.703 -3.736 28 HZ PHE 4 HZ PHE 4 -4.611 -4.023 -6.099 29 H SER 5 H SER 5 -7.762 -9.083 -5.371 30 HA SER 5 HA SER 5 -5.407 -9.437 -3.600 31 1HB SER 5 2HB SER 5 -7.640 -11.247 -3.793 32 2HB SER 5 1HB SER 5 -6.184 -12.042 -4.387 33 HG SER 5 HG SER 5 -6.716 -12.004 -1.991 34 H VAL 6 H VAL 6 -3.597 -10.344 -4.699 35 HA VAL 6 HA VAL 6 -3.831 -10.362 -7.689 36 HB VAL 6 HB VAL 6 -2.473 -8.579 -6.451 37 1HG1 VAL 6 1HG1 VAL 6 -1.584 -10.045 -4.688 38 2HG1 VAL 6 2HG1 VAL 6 -0.261 -9.322 -5.605 39 3HG1 VAL 6 3HG1 VAL 6 -0.725 -10.999 -5.897 40 1HG2 VAL 6 1HG2 VAL 6 -1.392 -8.446 -8.424 41 2HG2 VAL 6 2HG2 VAL 6 -1.874 -10.103 -8.783 42 3HG2 VAL 6 3HG2 VAL 6 -0.348 -9.789 -7.959 43 H SER 7 H SER 7 -2.210 -11.933 -8.733 44 HA SER 7 HA SER 7 -2.414 -14.527 -7.439 45 1HB SER 7 2HB SER 7 -1.689 -13.382 -10.011 46 2HB SER 7 1HB SER 7 -0.629 -14.719 -9.574 47 HG SER 7 HG SER 7 -2.338 -15.709 -10.468 48 HA PRO 8 HA PRO 8 2.172 -14.216 -6.672 49 1HB PRO 8 2HB PRO 8 3.767 -12.443 -7.971 50 2HB PRO 8 1HB PRO 8 3.242 -13.972 -8.704 51 1HG PRO 8 2HG PRO 8 2.400 -11.231 -9.316 52 2HG PRO 8 1HG PRO 8 2.271 -12.697 -10.297 53 1HD PRO 8 2HD PRO 8 0.216 -11.424 -8.728 54 2HD PRO 8 1HD PRO 8 0.098 -12.872 -9.738 55 H ALA 9 H ALA 9 1.010 -13.075 -4.761 56 HA ALA 9 HA ALA 9 1.283 -10.233 -4.364 57 1HB ALA 9 1HB ALA 9 0.896 -12.613 -2.530 58 2HB ALA 9 2HB ALA 9 -0.351 -11.537 -3.159 59 3HB ALA 9 3HB ALA 9 0.808 -10.943 -1.970 60 H SER 10 H SER 10 3.424 -12.939 -3.937 61 HA SER 10 HA SER 10 5.535 -11.069 -2.938 62 1HB SER 10 2HB SER 10 4.651 -13.725 -1.794 63 2HB SER 10 1HB SER 10 6.195 -12.984 -1.384 64 HG SER 10 HG SER 10 5.158 -11.701 -0.093 65 H GLY 11 H GLY 11 7.481 -11.410 -3.975 66 1HA GLY 11 2HA GLY 11 9.177 -12.721 -5.056 67 2HA GLY 11 1HA GLY 11 8.006 -14.026 -5.253 68 H LEU 12 H LEU 12 8.074 -10.579 -6.223 69 HA LEU 12 HA LEU 12 7.072 -11.408 -8.911 70 1HB LEU 12 2HB LEU 12 7.233 -8.722 -7.502 71 2HB LEU 12 1HB LEU 12 6.452 -9.010 -9.058 72 HG LEU 12 HG LEU 12 5.561 -10.845 -6.941 73 1HD1 LEU 12 1HD1 LEU 12 4.529 -8.037 -6.713 74 2HD1 LEU 12 2HD1 LEU 12 6.009 -8.476 -5.862 75 3HD1 LEU 12 3HD1 LEU 12 4.507 -9.334 -5.518 76 1HD2 LEU 12 1HD2 LEU 12 4.255 -10.885 -8.872 77 2HD2 LEU 12 2HD2 LEU 12 4.395 -9.146 -9.125 78 3HD2 LEU 12 3HD2 LEU 12 3.331 -9.771 -7.865 79 H SER 13 H SER 13 8.005 -9.986 -10.748 80 HA SER 13 HA SER 13 10.925 -9.535 -10.304 81 1HB SER 13 2HB SER 13 9.758 -11.522 -11.769 82 2HB SER 13 1HB SER 13 9.977 -10.283 -13.000 83 HG SER 13 HG SER 13 11.878 -11.348 -12.958 84 H ASP 14 H ASP 14 11.836 -7.750 -11.442 85 HA ASP 14 HA ASP 14 10.200 -5.459 -11.847 86 1HB ASP 14 2HB ASP 14 12.297 -4.595 -12.940 87 2HB ASP 14 1HB ASP 14 12.592 -5.371 -11.383 88 H GLY 15 H GLY 15 8.765 -5.113 -13.495 89 1HA GLY 15 2HA GLY 15 8.225 -4.816 -15.821 90 2HA GLY 15 1HA GLY 15 9.503 -5.959 -16.227 91 H GLN 16 H GLN 16 8.616 -7.915 -14.204 92 HA GLN 16 HA GLN 16 6.933 -9.558 -15.769 93 1HB GLN 16 2HB GLN 16 8.326 -10.306 -13.884 94 2HB GLN 16 1HB GLN 16 7.300 -9.412 -12.761 95 1HG GLN 16 2HG GLN 16 5.557 -10.917 -12.932 96 2HG GLN 16 1HG GLN 16 5.973 -11.368 -14.586 97 1HE2 GLN 16 1HE2 GLN 16 7.251 -11.682 -11.227 98 2HE2 GLN 16 2HE2 GLN 16 7.964 -13.200 -11.484 99 H SER 17 H SER 17 4.671 -9.942 -15.732 100 HA SER 17 HA SER 17 3.036 -7.676 -14.714 101 1HB SER 17 2HB SER 17 1.333 -8.795 -16.220 102 2HB SER 17 1HB SER 17 2.790 -8.249 -17.042 103 HG SER 17 HG SER 17 2.253 -10.390 -17.618 104 H VAL 18 H VAL 18 1.187 -8.065 -13.374 105 HA VAL 18 HA VAL 18 1.171 -10.733 -12.009 106 HB VAL 18 HB VAL 18 0.389 -9.367 -10.036 107 1HG1 VAL 18 1HG1 VAL 18 2.856 -9.952 -10.687 108 2HG1 VAL 18 2HG1 VAL 18 2.562 -8.757 -9.424 109 3HG1 VAL 18 3HG1 VAL 18 2.983 -8.229 -11.051 110 1HG2 VAL 18 1HG2 VAL 18 0.069 -7.102 -10.179 111 2HG2 VAL 18 2HG2 VAL 18 -0.163 -7.449 -11.893 112 3HG2 VAL 18 3HG2 VAL 18 1.404 -6.887 -11.314 113 H SER 19 H SER 19 -0.930 -11.567 -11.473 114 HA SER 19 HA SER 19 -3.103 -10.522 -13.209 115 1HB SER 19 2HB SER 19 -2.920 -12.998 -11.468 116 2HB SER 19 1HB SER 19 -4.113 -12.697 -12.727 117 HG SER 19 HG SER 19 -2.623 -13.803 -13.807 118 H VAL 20 H VAL 20 -4.459 -9.047 -12.292 119 HA VAL 20 HA VAL 20 -4.877 -9.122 -9.341 120 HB VAL 20 HB VAL 20 -5.165 -7.068 -11.530 121 1HG1 VAL 20 1HG1 VAL 20 -7.159 -6.739 -10.234 122 2HG1 VAL 20 2HG1 VAL 20 -5.996 -5.545 -9.659 123 3HG1 VAL 20 3HG1 VAL 20 -6.296 -7.008 -8.720 124 1HG2 VAL 20 1HG2 VAL 20 -2.987 -7.552 -10.298 125 2HG2 VAL 20 2HG2 VAL 20 -3.776 -6.932 -8.848 126 3HG2 VAL 20 3HG2 VAL 20 -3.541 -5.880 -10.242 127 H SER 21 H SER 21 -7.014 -9.145 -8.513 128 HA SER 21 HA SER 21 -9.258 -9.460 -10.424 129 1HB SER 21 2HB SER 21 -8.182 -11.688 -10.128 130 2HB SER 21 1HB SER 21 -8.445 -11.566 -8.391 131 HG SER 21 HG SER 21 -10.440 -12.139 -8.704 132 H VAL 22 H VAL 22 -11.030 -8.455 -9.563 133 HA VAL 22 HA VAL 22 -11.075 -7.966 -6.602 134 HB VAL 22 HB VAL 22 -12.123 -6.384 -8.971 135 1HG1 VAL 22 1HG1 VAL 22 -13.689 -6.114 -7.150 136 2HG1 VAL 22 2HG1 VAL 22 -12.680 -4.668 -7.203 137 3HG1 VAL 22 3HG1 VAL 22 -12.378 -5.910 -5.988 138 1HG2 VAL 22 1HG2 VAL 22 -10.121 -5.353 -8.892 139 2HG2 VAL 22 2HG2 VAL 22 -9.609 -6.459 -7.617 140 3HG2 VAL 22 3HG2 VAL 22 -10.395 -4.936 -7.201 141 H SER 23 H SER 23 -13.155 -8.177 -5.560 142 HA SER 23 HA SER 23 -15.513 -9.010 -7.077 143 1HB SER 23 2HB SER 23 -15.342 -11.254 -5.605 144 2HB SER 23 1HB SER 23 -14.650 -11.138 -7.220 145 HG SER 23 HG SER 23 -12.783 -11.420 -6.318 146 H GLY 24 H GLY 24 -16.994 -7.846 -5.920 147 1HA GLY 24 2HA GLY 24 -18.061 -8.424 -3.490 148 2HA GLY 24 1HA GLY 24 -16.661 -7.455 -3.025 149 H ALA 25 H ALA 25 -16.521 -5.435 -4.740 150 HA ALA 25 HA ALA 25 -18.650 -3.679 -4.023 151 1HB ALA 25 1HB ALA 25 -17.242 -2.161 -4.973 152 2HB ALA 25 2HB ALA 25 -17.122 -3.075 -6.473 153 3HB ALA 25 3HB ALA 25 -16.126 -3.520 -5.087 154 H ALA 26 H ALA 26 -18.860 -2.539 -6.847 155 HA ALA 26 HA ALA 26 -20.233 -4.442 -8.528 156 1HB ALA 26 1HB ALA 26 -21.939 -2.606 -6.818 157 2HB ALA 26 2HB ALA 26 -21.740 -4.338 -6.540 158 3HB ALA 26 3HB ALA 26 -22.530 -3.766 -8.011 159 H ALA 27 H ALA 27 -21.439 -3.298 -10.301 160 HA ALA 27 HA ALA 27 -19.928 -1.244 -11.504 161 1HB ALA 27 1HB ALA 27 -22.677 -1.125 -12.316 162 2HB ALA 27 2HB ALA 27 -22.257 -2.804 -11.981 163 3HB ALA 27 3HB ALA 27 -21.320 -1.878 -13.155 164 H GLY 28 H GLY 28 -19.899 0.949 -11.244 165 1HA GLY 28 2HA GLY 28 -21.300 3.018 -10.939 166 2HA GLY 28 1HA GLY 28 -22.045 2.180 -9.582 167 H GLU 29 H GLU 29 -18.749 1.449 -9.781 168 HA GLU 29 HA GLU 29 -17.986 3.713 -7.986 169 1HB GLU 29 2HB GLU 29 -17.713 0.739 -7.446 170 2HB GLU 29 1HB GLU 29 -17.017 2.004 -6.434 171 1HG GLU 29 2HG GLU 29 -19.971 1.882 -7.079 172 2HG GLU 29 1HG GLU 29 -19.274 1.093 -5.665 173 H THR 30 H THR 30 -16.124 4.566 -8.822 174 HA THR 30 HA THR 30 -14.313 2.792 -10.413 175 HB THR 30 HB THR 30 -14.546 5.816 -10.247 176 HG1 THR 30 HG1 THR 30 -15.980 5.656 -11.777 177 1HG2 THR 30 1HG2 THR 30 -12.368 4.522 -11.053 178 2HG2 THR 30 2HG2 THR 30 -12.948 5.952 -11.909 179 3HG2 THR 30 3HG2 THR 30 -13.310 4.343 -12.533 180 H TYR 31 H TYR 31 -12.323 2.318 -9.551 181 HA TYR 31 HA TYR 31 -11.421 3.876 -7.158 182 1HB TYR 31 2HB TYR 31 -10.779 1.040 -8.002 183 2HB TYR 31 1HB TYR 31 -10.434 1.783 -6.440 184 HD1 TYR 31 HD1 TYR 31 -12.822 -0.064 -8.362 185 HD2 TYR 31 HD2 TYR 31 -12.447 2.698 -5.094 186 HE1 TYR 31 HE1 TYR 31 -15.079 -0.707 -7.558 187 HE2 TYR 31 HE2 TYR 31 -14.701 2.054 -4.289 188 HH TYR 31 HH TYR 31 -16.234 -0.613 -5.074 189 H TYR 32 H TYR 32 -8.829 3.077 -6.994 190 HA TYR 32 HA TYR 32 -7.566 3.678 -9.631 191 1HB TYR 32 2HB TYR 32 -6.867 4.995 -6.998 192 2HB TYR 32 1HB TYR 32 -6.238 5.413 -8.591 193 HD1 TYR 32 HD1 TYR 32 -9.126 5.616 -6.329 194 HD2 TYR 32 HD2 TYR 32 -7.628 6.582 -10.235 195 HE1 TYR 32 HE1 TYR 32 -11.026 7.175 -6.672 196 HE2 TYR 32 HE2 TYR 32 -9.526 8.140 -10.580 197 HH TYR 32 HH TYR 32 -12.268 8.142 -8.682 198 H ILE 33 H ILE 33 -6.295 1.872 -9.959 199 HA ILE 33 HA ILE 33 -5.055 0.519 -7.614 200 HB ILE 33 HB ILE 33 -6.298 -0.713 -9.406 201 1HG1 ILE 33 2HG1 ILE 33 -3.449 -1.562 -9.722 202 2HG1 ILE 33 1HG1 ILE 33 -4.101 -1.503 -8.084 203 1HG2 ILE 33 1HG2 ILE 33 -5.745 -0.551 -11.623 204 2HG2 ILE 33 2HG2 ILE 33 -4.021 -0.392 -11.284 205 3HG2 ILE 33 3HG2 ILE 33 -5.083 1.007 -11.124 206 1HD1 ILE 33 1HD1 ILE 33 -6.099 -2.832 -9.027 207 2HD1 ILE 33 2HD1 ILE 33 -4.577 -3.701 -8.824 208 3HD1 ILE 33 3HD1 ILE 33 -5.068 -3.144 -10.423 209 H ALA 34 H ALA 34 -3.094 1.398 -7.013 210 HA ALA 34 HA ALA 34 -1.075 1.818 -9.160 211 1HB ALA 34 1HB ALA 34 -0.633 4.072 -8.402 212 2HB ALA 34 2HB ALA 34 -1.725 3.873 -7.031 213 3HB ALA 34 3HB ALA 34 -2.371 3.933 -8.670 214 H GLN 35 H GLN 35 1.101 1.815 -8.372 215 HA GLN 35 HA GLN 35 1.429 0.547 -5.682 216 1HB GLN 35 2HB GLN 35 2.148 -0.897 -7.442 217 2HB GLN 35 1HB GLN 35 2.906 0.429 -8.322 218 1HG GLN 35 2HG GLN 35 4.452 0.659 -6.254 219 2HG GLN 35 1HG GLN 35 3.864 -0.943 -5.809 220 1HE2 GLN 35 1HE2 GLN 35 6.623 -0.393 -6.575 221 2HE2 GLN 35 2HE2 GLN 35 6.929 -1.245 -8.011 222 H CYS 36 H CYS 36 2.482 1.795 -4.158 223 HA CYS 36 HA CYS 36 4.410 3.861 -5.113 224 1HB CYS 36 2HB CYS 36 2.445 4.594 -2.965 225 2HB CYS 36 1HB CYS 36 3.249 5.634 -4.129 226 H ALA 37 H ALA 37 5.705 4.746 -3.265 227 HA ALA 37 HA ALA 37 5.775 3.093 -0.803 228 1HB ALA 37 1HB ALA 37 7.124 2.018 -2.690 229 2HB ALA 37 2HB ALA 37 8.026 2.351 -1.212 230 3HB ALA 37 3HB ALA 37 8.189 3.421 -2.605 231 HA PRO 38 HA PRO 38 7.141 6.886 0.922 232 1HB PRO 38 2HB PRO 38 8.902 6.081 2.853 233 2HB PRO 38 1HB PRO 38 7.145 5.886 2.994 234 1HG PRO 38 2HG PRO 38 9.215 3.879 2.258 235 2HG PRO 38 1HG PRO 38 7.749 3.682 3.232 236 1HD PRO 38 2HD PRO 38 7.954 2.892 0.615 237 2HD PRO 38 1HD PRO 38 6.421 3.342 1.395 238 H VAL 39 H VAL 39 9.064 8.304 1.189 239 HA VAL 39 HA VAL 39 11.520 7.347 -0.225 240 HB VAL 39 HB VAL 39 11.439 9.407 -1.606 241 1HG1 VAL 39 1HG1 VAL 39 10.417 7.336 -2.469 242 2HG1 VAL 39 2HG1 VAL 39 9.514 8.751 -3.014 243 3HG1 VAL 39 3HG1 VAL 39 8.891 7.761 -1.693 244 1HG2 VAL 39 1HG2 VAL 39 8.668 10.075 -1.152 245 2HG2 VAL 39 2HG2 VAL 39 10.086 11.119 -1.040 246 3HG2 VAL 39 3HG2 VAL 39 9.560 10.191 0.365 247 H GLY 40 H GLY 40 11.899 7.488 2.314 248 1HA GLY 40 2HA GLY 40 13.495 8.572 3.740 249 2HA GLY 40 1HA GLY 40 13.328 10.036 2.771 250 H GLY 41 H GLY 41 10.350 9.880 2.899 251 1HA GLY 41 2HA GLY 41 9.343 9.854 5.526 252 2HA GLY 41 1HA GLY 41 9.977 11.479 5.261 253 H GLN 42 H GLN 42 9.361 11.553 2.431 254 HA GLN 42 HA GLN 42 6.521 12.282 2.637 255 1HB GLN 42 2HB GLN 42 8.613 12.424 0.445 256 2HB GLN 42 1HB GLN 42 6.988 13.098 0.301 257 1HG GLN 42 2HG GLN 42 8.696 13.835 2.661 258 2HG GLN 42 1HG GLN 42 8.950 14.641 1.112 259 1HE2 GLN 42 1HE2 GLN 42 7.647 15.540 3.802 260 2HE2 GLN 42 2HE2 GLN 42 6.174 16.226 3.309 261 H ASP 43 H ASP 43 5.461 11.708 0.210 262 HA ASP 43 HA ASP 43 5.621 8.716 0.017 263 1HB ASP 43 2HB ASP 43 3.370 10.680 0.192 264 2HB ASP 43 1HB ASP 43 3.116 9.207 -0.744 265 H ALA 44 H ALA 44 5.955 7.919 -2.024 266 HA ALA 44 HA ALA 44 5.552 9.760 -4.355 267 1HB ALA 44 1HB ALA 44 7.904 9.736 -3.828 268 2HB ALA 44 2HB ALA 44 7.690 8.685 -5.228 269 3HB ALA 44 3HB ALA 44 7.895 7.984 -3.623 270 H CYS 45 H CYS 45 5.125 8.589 -6.377 271 HA CYS 45 HA CYS 45 4.583 5.674 -6.116 272 1HB CYS 45 2HB CYS 45 2.593 7.124 -5.418 273 2HB CYS 45 1HB CYS 45 2.506 7.635 -7.104 274 H ASN 46 H ASN 46 4.191 4.666 -8.251 275 HA ASN 46 HA ASN 46 5.800 5.946 -10.360 276 1HB ASN 46 2HB ASN 46 5.801 3.499 -9.631 277 2HB ASN 46 1HB ASN 46 4.238 3.358 -10.432 278 1HD2 ASN 46 1HD2 ASN 46 6.913 2.133 -11.181 279 2HD2 ASN 46 2HD2 ASN 46 7.183 2.629 -12.782 280 HA PRO 47 HA PRO 47 2.036 7.629 -12.108 281 1HB PRO 47 2HB PRO 47 3.262 9.112 -14.043 282 2HB PRO 47 1HB PRO 47 3.155 9.631 -12.349 283 1HG PRO 47 2HG PRO 47 5.444 8.437 -13.820 284 2HG PRO 47 1HG PRO 47 5.435 9.670 -12.550 285 1HD PRO 47 2HD PRO 47 6.068 7.021 -12.138 286 2HD PRO 47 1HD PRO 47 5.478 8.122 -10.874 287 H ALA 48 H ALA 48 4.695 6.231 -13.992 288 HA ALA 48 HA ALA 48 3.338 5.794 -16.449 289 1HB ALA 48 1HB ALA 48 5.593 5.374 -16.599 290 2HB ALA 48 2HB ALA 48 5.072 3.718 -16.288 291 3HB ALA 48 3HB ALA 48 5.677 4.715 -14.965 292 H THR 49 H THR 49 3.002 4.210 -13.369 293 HA THR 49 HA THR 49 1.368 2.039 -14.641 294 HB THR 49 HB THR 49 1.897 0.801 -12.564 295 HG1 THR 49 HG1 THR 49 3.292 1.767 -11.078 296 1HG2 THR 49 1HG2 THR 49 3.527 1.160 -14.647 297 2HG2 THR 49 2HG2 THR 49 4.021 0.222 -13.238 298 3HG2 THR 49 3HG2 THR 49 4.538 1.899 -13.405 299 H ALA 50 H ALA 50 1.201 4.882 -12.758 300 HA ALA 50 HA ALA 50 -1.001 4.245 -11.014 301 1HB ALA 50 1HB ALA 50 0.535 6.560 -11.960 302 2HB ALA 50 2HB ALA 50 -0.089 6.219 -10.349 303 3HB ALA 50 3HB ALA 50 -1.137 6.950 -11.566 304 H THR 51 H THR 51 -2.864 3.411 -11.961 305 HA THR 51 HA THR 51 -4.184 5.100 -14.027 306 HB THR 51 HB THR 51 -2.993 3.259 -15.141 307 HG1 THR 51 HG1 THR 51 -4.732 3.374 -16.308 308 1HG2 THR 51 1HG2 THR 51 -2.889 1.736 -13.211 309 2HG2 THR 51 2HG2 THR 51 -3.587 0.923 -14.612 310 3HG2 THR 51 3HG2 THR 51 -4.632 1.489 -13.309 311 H SER 52 H SER 52 -6.509 4.915 -14.000 312 HA SER 52 HA SER 52 -7.576 3.797 -11.449 313 1HB SER 52 2HB SER 52 -9.109 5.554 -11.530 314 2HB SER 52 1HB SER 52 -7.705 6.283 -12.305 315 HG SER 52 HG SER 52 -9.831 6.431 -13.415 316 H PHE 53 H PHE 53 -9.642 2.663 -11.530 317 HA PHE 53 HA PHE 53 -10.523 1.706 -14.207 318 1HB PHE 53 2HB PHE 53 -10.331 -0.633 -13.429 319 2HB PHE 53 1HB PHE 53 -8.763 0.174 -13.376 320 HD1 PHE 53 HD1 PHE 53 -11.032 -1.808 -11.542 321 HD2 PHE 53 HD2 PHE 53 -8.238 1.424 -11.073 322 HE1 PHE 53 HE1 PHE 53 -10.851 -2.315 -9.121 323 HE2 PHE 53 HE2 PHE 53 -8.059 0.914 -8.650 324 HZ PHE 53 HZ PHE 53 -9.367 -0.955 -7.675 325 H THR 54 H THR 54 -12.468 0.030 -13.651 326 HA THR 54 HA THR 54 -14.081 1.125 -11.401 327 HB THR 54 HB THR 54 -15.163 0.674 -14.187 328 HG1 THR 54 HG1 THR 54 -13.866 2.290 -14.637 329 1HG2 THR 54 1HG2 THR 54 -16.113 2.480 -11.952 330 2HG2 THR 54 2HG2 THR 54 -16.710 0.839 -12.199 331 3HG2 THR 54 3HG2 THR 54 -16.977 2.070 -13.433 332 H THR 55 H THR 55 -15.915 -0.334 -10.851 333 HA THR 55 HA THR 55 -15.119 -3.150 -11.000 334 HB THR 55 HB THR 55 -17.734 -2.993 -9.998 335 HG1 THR 55 HG1 THR 55 -17.965 -0.945 -9.679 336 1HG2 THR 55 1HG2 THR 55 -15.668 -2.475 -8.006 337 2HG2 THR 55 2HG2 THR 55 -15.207 -3.743 -9.143 338 3HG2 THR 55 3HG2 THR 55 -16.695 -3.892 -8.213 339 H ASP 56 H ASP 56 -17.740 -4.361 -11.248 340 HA ASP 56 HA ASP 56 -18.552 -3.640 -14.040 341 1HB ASP 56 2HB ASP 56 -16.753 -5.628 -13.483 342 2HB ASP 56 1HB ASP 56 -18.273 -6.524 -13.453 343 H ALA 57 H ALA 57 -20.140 -6.105 -14.236 344 HA ALA 57 HA ALA 57 -22.562 -5.219 -12.993 345 1HB ALA 57 1HB ALA 57 -21.709 -7.893 -14.130 346 2HB ALA 57 2HB ALA 57 -22.471 -6.581 -15.027 347 3HB ALA 57 3HB ALA 57 -23.378 -7.444 -13.783 348 H SER 58 H SER 58 -20.520 -8.039 -12.275 349 HA SER 58 HA SER 58 -21.859 -8.356 -9.662 350 1HB SER 58 2HB SER 58 -20.732 -10.465 -9.659 351 2HB SER 58 1HB SER 58 -21.178 -10.201 -11.342 352 HG SER 58 HG SER 58 -19.088 -9.523 -11.751 353 H GLY 59 H GLY 59 -19.961 -6.058 -10.512 354 1HA GLY 59 2HA GLY 59 -18.301 -4.772 -9.466 355 2HA GLY 59 1HA GLY 59 -18.651 -5.688 -7.998 356 H ALA 60 H ALA 60 -17.788 -7.567 -10.740 357 HA ALA 60 HA ALA 60 -15.259 -8.347 -9.422 358 1HB ALA 60 1HB ALA 60 -16.223 -10.271 -10.192 359 2HB ALA 60 2HB ALA 60 -15.491 -9.814 -11.731 360 3HB ALA 60 3HB ALA 60 -17.176 -9.411 -11.404 361 H ALA 61 H ALA 61 -13.230 -7.831 -10.230 362 HA ALA 61 HA ALA 61 -13.055 -6.546 -12.922 363 1HB ALA 61 1HB ALA 61 -13.299 -4.969 -10.857 364 2HB ALA 61 2HB ALA 61 -12.029 -4.621 -12.030 365 3HB ALA 61 3HB ALA 61 -11.631 -5.428 -10.513 366 H SER 62 H SER 62 -12.036 -8.623 -13.494 367 HA SER 62 HA SER 62 -9.362 -9.103 -12.251 368 1HB SER 62 2HB SER 62 -9.751 -11.248 -13.749 369 2HB SER 62 1HB SER 62 -10.586 -11.082 -12.208 370 HG SER 62 HG SER 62 -11.696 -11.445 -14.507 371 H PHE 63 H PHE 63 -7.713 -8.135 -13.370 372 HA PHE 63 HA PHE 63 -7.692 -8.379 -16.340 373 1HB PHE 63 2HB PHE 63 -7.065 -5.907 -16.414 374 2HB PHE 63 1HB PHE 63 -8.740 -6.250 -15.984 375 HD1 PHE 63 HD1 PHE 63 -9.639 -5.424 -13.977 376 HD2 PHE 63 HD2 PHE 63 -5.378 -5.640 -14.473 377 HE1 PHE 63 HE1 PHE 63 -9.328 -4.217 -11.830 378 HE2 PHE 63 HE2 PHE 63 -5.065 -4.436 -12.328 379 HZ PHE 63 HZ PHE 63 -7.040 -3.724 -11.005 380 H SER 64 H SER 64 -5.483 -7.341 -17.117 381 HA SER 64 HA SER 64 -3.351 -8.643 -15.514 382 1HB SER 64 2HB SER 64 -2.372 -8.907 -17.565 383 2HB SER 64 1HB SER 64 -3.975 -8.513 -18.180 384 HG SER 64 HG SER 64 -2.188 -7.222 -19.029 385 H PHE 65 H PHE 65 -1.740 -7.521 -14.498 386 HA PHE 65 HA PHE 65 -1.581 -4.552 -14.845 387 1HB PHE 65 2HB PHE 65 -2.886 -5.360 -12.816 388 2HB PHE 65 1HB PHE 65 -1.399 -6.111 -12.244 389 HD1 PHE 65 HD1 PHE 65 -2.657 -2.807 -13.505 390 HD2 PHE 65 HD2 PHE 65 0.020 -4.884 -10.865 391 HE1 PHE 65 HE1 PHE 65 -1.925 -0.644 -12.540 392 HE2 PHE 65 HE2 PHE 65 0.749 -2.721 -9.903 393 HZ PHE 65 HZ PHE 65 -0.223 -0.608 -10.740 394 H VAL 66 H VAL 66 0.625 -3.946 -13.425 395 HA VAL 66 HA VAL 66 2.690 -6.023 -13.953 396 HB VAL 66 HB VAL 66 2.843 -3.170 -14.942 397 1HG1 VAL 66 1HG1 VAL 66 4.672 -4.380 -16.377 398 2HG1 VAL 66 2HG1 VAL 66 4.622 -5.585 -15.090 399 3HG1 VAL 66 3HG1 VAL 66 5.046 -3.914 -14.718 400 1HG2 VAL 66 1HG2 VAL 66 1.093 -4.441 -16.142 401 2HG2 VAL 66 2HG2 VAL 66 2.249 -5.734 -16.455 402 3HG2 VAL 66 3HG2 VAL 66 2.482 -4.147 -17.188 403 H VAL 67 H VAL 67 4.777 -5.457 -12.946 404 HA VAL 67 HA VAL 67 4.586 -3.443 -10.741 405 HB VAL 67 HB VAL 67 5.498 -5.178 -9.214 406 1HG1 VAL 67 1HG1 VAL 67 3.101 -4.945 -9.230 407 2HG1 VAL 67 2HG1 VAL 67 3.452 -6.673 -9.225 408 3HG1 VAL 67 3HG1 VAL 67 2.964 -5.876 -10.721 409 1HG2 VAL 67 1HG2 VAL 67 6.286 -6.433 -11.526 410 2HG2 VAL 67 2HG2 VAL 67 4.875 -7.386 -11.072 411 3HG2 VAL 67 3HG2 VAL 67 6.219 -7.211 -9.945 412 H ARG 68 H ARG 68 6.777 -2.862 -9.906 413 HA ARG 68 HA ARG 68 9.026 -3.651 -11.709 414 1HB ARG 68 2HB ARG 68 8.062 -0.858 -11.026 415 2HB ARG 68 1HB ARG 68 9.599 -1.195 -11.823 416 1HG ARG 68 2HG ARG 68 7.000 -2.259 -12.927 417 2HG ARG 68 1HG ARG 68 7.574 -0.643 -13.333 418 1HD ARG 68 2HD ARG 68 9.762 -2.502 -13.609 419 2HD ARG 68 1HD ARG 68 8.367 -3.084 -14.542 420 HE ARG 68 HE ARG 68 9.733 -0.479 -14.930 421 1HH1 ARG 68 1HH2 ARG 68 6.639 -0.483 -15.092 422 2HH1 ARG 68 2HH2 ARG 68 6.421 -0.651 -16.802 423 1HH2 ARG 68 1HH1 ARG 68 9.692 -1.639 -17.391 424 2HH2 ARG 68 2HH1 ARG 68 8.149 -1.305 -18.104 425 H LYS 69 H LYS 69 10.982 -3.830 -10.611 426 HA LYS 69 HA LYS 69 11.056 -3.969 -7.762 427 1HB LYS 69 2HB LYS 69 12.569 -5.044 -9.502 428 2HB LYS 69 1HB LYS 69 13.361 -3.479 -9.668 429 1HG LYS 69 2HG LYS 69 13.178 -4.048 -6.882 430 2HG LYS 69 1HG LYS 69 13.812 -5.488 -7.680 431 1HD LYS 69 2HD LYS 69 14.920 -2.828 -8.483 432 2HD LYS 69 1HD LYS 69 15.433 -3.515 -6.943 433 1HE LYS 69 2HE LYS 69 15.865 -5.697 -8.306 434 2HE LYS 69 1HE LYS 69 15.837 -4.622 -9.718 435 1HZ LYS 69 1HZ LYS 69 17.562 -4.397 -7.318 436 2HZ LYS 69 2HZ LYS 69 17.393 -3.152 -8.461 437 3HZ LYS 69 3HZ LYS 69 18.057 -4.647 -8.919 438 H SER 70 H SER 70 12.191 -1.434 -10.007 439 HA SER 70 HA SER 70 12.054 0.529 -7.758 440 1HB SER 70 2HB SER 70 14.246 1.377 -8.416 441 2HB SER 70 1HB SER 70 14.375 -0.352 -8.109 442 HG SER 70 HG SER 70 15.256 -0.252 -10.047 443 H TYR 71 H TYR 71 11.529 2.669 -8.470 444 HA TYR 71 HA TYR 71 11.215 3.188 -11.367 445 1HB TYR 71 2HB TYR 71 8.797 3.574 -11.123 446 2HB TYR 71 1HB TYR 71 9.199 1.927 -10.631 447 HD1 TYR 71 HD1 TYR 71 8.023 5.207 -9.526 448 HD2 TYR 71 HD2 TYR 71 9.333 1.329 -8.223 449 HE1 TYR 71 HE1 TYR 71 7.088 5.648 -7.273 450 HE2 TYR 71 HE2 TYR 71 8.396 1.769 -5.969 451 HH TYR 71 HH TYR 71 7.075 4.933 -5.115 452 H THR 72 H THR 72 10.892 5.466 -11.792 453 HA THR 72 HA THR 72 12.053 7.257 -9.841 454 HB THR 72 HB THR 72 10.438 7.973 -12.295 455 HG1 THR 72 HG1 THR 72 11.786 6.562 -13.155 456 1HG2 THR 72 1HG2 THR 72 12.242 9.347 -10.473 457 2HG2 THR 72 2HG2 THR 72 11.180 10.018 -11.712 458 3HG2 THR 72 3HG2 THR 72 12.797 9.457 -12.144 459 H GLY 73 H GLY 73 11.003 8.345 -8.221 460 1HA GLY 73 2HA GLY 73 8.066 8.139 -8.039 461 2HA GLY 73 1HA GLY 73 9.139 8.771 -6.788 462 H SER 74 H SER 74 6.947 10.266 -7.233 463 HA SER 74 HA SER 74 7.997 12.826 -8.032 464 1HB SER 74 2HB SER 74 7.698 11.454 -10.204 465 2HB SER 74 1HB SER 74 5.969 11.666 -9.947 466 HG SER 74 HG SER 74 6.196 13.605 -10.701 467 H THR 75 H THR 75 6.550 14.486 -7.400 468 HA THR 75 HA THR 75 4.343 13.720 -5.668 469 HB THR 75 HB THR 75 4.133 16.210 -5.493 470 HG1 THR 75 HG1 THR 75 5.084 17.437 -6.907 471 1HG2 THR 75 1HG2 THR 75 6.559 16.551 -4.736 472 2HG2 THR 75 2HG2 THR 75 6.833 14.893 -5.270 473 3HG2 THR 75 3HG2 THR 75 5.670 15.225 -3.988 474 HA PRO 76 HA PRO 76 1.140 13.964 -8.652 475 1HB PRO 76 2HB PRO 76 -0.978 14.319 -6.978 476 2HB PRO 76 1HB PRO 76 -0.113 12.778 -7.119 477 1HG PRO 76 2HG PRO 76 -0.006 14.808 -4.975 478 2HG PRO 76 1HG PRO 76 0.237 13.058 -4.890 479 1HD PRO 76 2HD PRO 76 2.252 15.010 -4.900 480 2HD PRO 76 1HD PRO 76 2.476 13.267 -5.158 481 H GLU 77 H GLU 77 2.388 16.604 -7.213 482 HA GLU 77 HA GLU 77 0.217 18.429 -8.147 483 1HB GLU 77 2HB GLU 77 0.929 19.927 -6.441 484 2HB GLU 77 1HB GLU 77 0.979 18.332 -5.691 485 1HG GLU 77 2HG GLU 77 3.130 18.764 -5.168 486 2HG GLU 77 1HG GLU 77 3.491 18.609 -6.886 487 H GLY 78 H GLY 78 3.558 17.515 -8.556 488 1HA GLY 78 2HA GLY 78 4.435 18.179 -10.854 489 2HA GLY 78 1HA GLY 78 3.913 19.812 -10.443 490 H THR 79 H THR 79 5.907 17.229 -8.956 491 HA THR 79 HA THR 79 8.151 19.127 -8.676 492 HB THR 79 HB THR 79 6.932 17.802 -6.247 493 HG1 THR 79 HG1 THR 79 5.532 19.348 -6.171 494 1HG2 THR 79 1HG2 THR 79 8.409 20.322 -5.990 495 2HG2 THR 79 2HG2 THR 79 9.381 19.002 -6.639 496 3HG2 THR 79 3HG2 THR 79 8.577 18.823 -5.079 497 HA PRO 80 HA PRO 80 9.554 14.867 -9.425 498 1HB PRO 80 2HB PRO 80 11.853 15.618 -10.711 499 2HB PRO 80 1HB PRO 80 10.279 15.505 -11.525 500 1HG PRO 80 2HG PRO 80 11.709 17.911 -10.502 501 2HG PRO 80 1HG PRO 80 10.756 17.708 -11.982 502 1HD PRO 80 2HD PRO 80 9.799 18.939 -9.742 503 2HD PRO 80 1HD PRO 80 8.762 18.084 -10.908 504 H VAL 81 H VAL 81 10.196 14.209 -7.363 505 HA VAL 81 HA VAL 81 12.255 15.631 -5.851 506 HB VAL 81 HB VAL 81 10.624 13.113 -5.533 507 1HG1 VAL 81 1HG1 VAL 81 12.927 14.117 -3.860 508 2HG1 VAL 81 2HG1 VAL 81 12.634 12.483 -4.453 509 3HG1 VAL 81 3HG1 VAL 81 11.639 13.140 -3.155 510 1HG2 VAL 81 1HG2 VAL 81 9.956 14.521 -3.440 511 2HG2 VAL 81 2HG2 VAL 81 9.336 15.016 -5.016 512 3HG2 VAL 81 3HG2 VAL 81 10.708 15.864 -4.302 513 H GLY 82 H GLY 82 12.133 12.165 -6.678 514 1HA GLY 82 2HA GLY 82 14.650 12.183 -8.102 515 2HA GLY 82 1HA GLY 82 14.869 11.639 -6.439 516 H SER 83 H SER 83 15.404 9.508 -7.143 517 HA SER 83 HA SER 83 13.227 7.978 -8.499 518 1HB SER 83 2HB SER 83 16.055 8.089 -8.655 519 2HB SER 83 1HB SER 83 15.650 6.503 -8.004 520 HG SER 83 HG SER 83 14.893 7.702 -10.445 521 H VAL 84 H VAL 84 12.706 5.831 -7.612 522 HA VAL 84 HA VAL 84 13.181 5.600 -4.655 523 HB VAL 84 HB VAL 84 10.667 5.047 -6.271 524 1HG1 VAL 84 1HG1 VAL 84 10.129 5.224 -3.503 525 2HG1 VAL 84 2HG1 VAL 84 11.539 4.177 -3.654 526 3HG1 VAL 84 3HG1 VAL 84 10.052 3.779 -4.513 527 1HG2 VAL 84 1HG2 VAL 84 10.613 7.345 -6.106 528 2HG2 VAL 84 2HG2 VAL 84 11.668 7.372 -4.692 529 3HG2 VAL 84 3HG2 VAL 84 9.964 6.957 -4.513 530 H ASP 85 H ASP 85 13.195 3.353 -3.885 531 HA ASP 85 HA ASP 85 13.302 1.247 -5.997 532 1HB ASP 85 2HB ASP 85 15.547 2.485 -5.232 533 2HB ASP 85 1HB ASP 85 15.441 1.318 -3.914 534 H CYS 86 H CYS 86 12.567 -0.749 -5.245 535 HA CYS 86 HA CYS 86 11.355 -0.820 -2.563 536 1HB CYS 86 2HB CYS 86 11.467 -2.673 -4.954 537 2HB CYS 86 1HB CYS 86 10.625 -3.101 -3.466 538 H ALA 87 H ALA 87 14.370 -1.622 -3.918 539 HA ALA 87 HA ALA 87 15.019 -4.011 -2.434 540 1HB ALA 87 1HB ALA 87 17.046 -3.744 -3.500 541 2HB ALA 87 2HB ALA 87 17.109 -2.015 -3.163 542 3HB ALA 87 3HB ALA 87 16.102 -2.620 -4.477 543 H THR 88 H THR 88 15.624 -0.539 -1.835 544 HA THR 88 HA THR 88 16.687 -1.163 0.868 545 HB THR 88 HB THR 88 17.720 0.459 -0.807 546 HG1 THR 88 HG1 THR 88 16.933 1.229 1.789 547 1HG2 THR 88 1HG2 THR 88 15.537 1.412 -1.551 548 2HG2 THR 88 2HG2 THR 88 16.682 2.650 -1.033 549 3HG2 THR 88 3HG2 THR 88 15.364 2.165 0.034 550 H ALA 89 H ALA 89 13.721 -0.438 -0.596 551 HA ALA 89 HA ALA 89 12.550 0.288 2.040 552 1HB ALA 89 1HB ALA 89 12.474 1.762 -0.574 553 2HB ALA 89 2HB ALA 89 12.698 2.402 1.053 554 3HB ALA 89 3HB ALA 89 11.098 1.885 0.522 555 H ALA 90 H ALA 90 10.145 -0.082 2.030 556 HA ALA 90 HA ALA 90 9.486 -2.435 0.325 557 1HB ALA 90 1HB ALA 90 9.371 -2.188 2.948 558 2HB ALA 90 2HB ALA 90 8.101 -3.065 2.095 559 3HB ALA 90 3HB ALA 90 7.832 -1.398 2.604 560 H CYS 91 H CYS 91 7.767 -2.382 -1.110 561 HA CYS 91 HA CYS 91 6.212 0.182 -1.268 562 1HB CYS 91 2HB CYS 91 6.165 -0.532 -3.809 563 2HB CYS 91 1HB CYS 91 7.604 0.249 -3.161 564 H ASN 92 H ASN 92 3.977 -0.048 -1.594 565 HA ASN 92 HA ASN 92 2.963 -2.874 -1.727 566 1HB ASN 92 2HB ASN 92 1.171 -2.079 -0.193 567 2HB ASN 92 1HB ASN 92 2.775 -1.892 0.518 568 1HD2 ASN 92 1HD2 ASN 92 3.533 0.253 0.936 569 2HD2 ASN 92 2HD2 ASN 92 2.589 1.636 0.659 570 H LEU 93 H LEU 93 0.767 -3.045 -2.659 571 HA LEU 93 HA LEU 93 0.216 -0.856 -4.635 572 1HB LEU 93 2HB LEU 93 1.006 -2.898 -5.684 573 2HB LEU 93 1HB LEU 93 -0.122 -3.870 -4.737 574 HG LEU 93 HG LEU 93 -1.964 -2.400 -5.831 575 1HD1 LEU 93 1HD1 LEU 93 -0.220 -0.801 -6.762 576 2HD1 LEU 93 2HD1 LEU 93 -1.406 -1.383 -7.931 577 3HD1 LEU 93 3HD1 LEU 93 0.218 -2.072 -7.904 578 1HD2 LEU 93 1HD2 LEU 93 -0.335 -4.451 -7.362 579 2HD2 LEU 93 2HD2 LEU 93 -1.922 -3.881 -7.881 580 3HD2 LEU 93 3HD2 LEU 93 -1.754 -4.752 -6.357 581 H GLY 94 H GLY 94 -1.562 0.260 -3.888 582 1HA GLY 94 2HA GLY 94 -3.719 -1.350 -2.562 583 2HA GLY 94 1HA GLY 94 -3.436 0.362 -2.253 584 H ALA 95 H ALA 95 -5.879 -0.979 -3.195 585 HA ALA 95 HA ALA 95 -6.291 0.707 -5.628 586 1HB ALA 95 1HB ALA 95 -7.727 -1.733 -5.940 587 2HB ALA 95 2HB ALA 95 -6.078 -2.159 -5.482 588 3HB ALA 95 3HB ALA 95 -6.369 -1.155 -6.902 589 H GLY 96 H GLY 96 -8.220 1.819 -5.450 590 1HA GLY 96 2HA GLY 96 -10.719 1.117 -4.742 591 2HA GLY 96 1HA GLY 96 -9.967 1.194 -3.149 592 H ASN 97 H ASN 97 -11.488 2.984 -2.716 593 HA ASN 97 HA ASN 97 -10.589 5.554 -3.949 594 1HB ASN 97 2HB ASN 97 -12.843 4.983 -4.619 595 2HB ASN 97 1HB ASN 97 -13.289 4.610 -2.954 596 1HD2 ASN 97 1HD2 ASN 97 -11.598 7.422 -4.478 597 2HD2 ASN 97 2HD2 ASN 97 -12.612 8.591 -3.780 598 H SER 98 H SER 98 -10.648 7.421 -2.453 599 HA SER 98 HA SER 98 -9.430 6.997 0.052 600 1HB SER 98 2HB SER 98 -11.266 9.310 -0.510 601 2HB SER 98 1HB SER 98 -9.706 9.320 0.306 602 HG SER 98 HG SER 98 -8.701 9.029 -1.640 603 H GLY 99 H GLY 99 -12.842 7.052 -0.816 604 1HA GLY 99 2HA GLY 99 -13.671 6.962 2.018 605 2HA GLY 99 1HA GLY 99 -14.752 7.007 0.624 606 H LEU 100 H LEU 100 -13.804 4.861 -0.872 607 HA LEU 100 HA LEU 100 -14.795 2.599 0.747 608 1HB LEU 100 2HB LEU 100 -15.593 3.072 -1.547 609 2HB LEU 100 1HB LEU 100 -13.951 2.857 -2.156 610 HG LEU 100 HG LEU 100 -15.030 0.645 -0.495 611 1HD1 LEU 100 1HD1 LEU 100 -16.793 0.116 -1.796 612 2HD1 LEU 100 2HD1 LEU 100 -15.829 0.297 -3.262 613 3HD1 LEU 100 3HD1 LEU 100 -16.628 1.700 -2.554 614 1HD2 LEU 100 1HD2 LEU 100 -13.985 -0.436 -2.752 615 2HD2 LEU 100 2HD2 LEU 100 -13.001 0.026 -1.362 616 3HD2 LEU 100 3HD2 LEU 100 -13.145 1.115 -2.743 617 H ASP 101 H ASP 101 -13.534 0.789 1.300 618 HA ASP 101 HA ASP 101 -10.593 1.032 0.750 619 1HB ASP 101 2HB ASP 101 -10.466 -0.284 2.945 620 2HB ASP 101 1HB ASP 101 -11.066 1.371 3.076 621 H LEU 102 H LEU 102 -10.643 -0.310 -1.152 622 HA LEU 102 HA LEU 102 -11.944 -2.889 -1.215 623 1HB LEU 102 2HB LEU 102 -10.324 -1.158 -2.894 624 2HB LEU 102 1HB LEU 102 -9.862 -2.849 -3.086 625 HG LEU 102 HG LEU 102 -12.775 -2.155 -3.053 626 1HD1 LEU 102 1HD1 LEU 102 -11.761 -0.529 -4.618 627 2HD1 LEU 102 2HD1 LEU 102 -12.718 -1.734 -5.479 628 3HD1 LEU 102 3HD1 LEU 102 -10.957 -1.851 -5.465 629 1HD2 LEU 102 1HD2 LEU 102 -12.801 -4.063 -4.673 630 2HD2 LEU 102 2HD2 LEU 102 -12.102 -4.501 -3.114 631 3HD2 LEU 102 3HD2 LEU 102 -11.051 -4.196 -4.497 632 H GLY 103 H GLY 103 -8.472 -2.009 -1.000 633 1HA GLY 103 2HA GLY 103 -7.661 -3.591 1.079 634 2HA GLY 103 1HA GLY 103 -7.792 -4.749 -0.245 635 H HIS 104 H HIS 104 -5.379 -3.985 1.132 636 HA HIS 104 HA HIS 104 -3.839 -2.760 -1.129 637 1HB HIS 104 2HB HIS 104 -3.771 -2.395 1.859 638 2HB HIS 104 1HB HIS 104 -2.312 -2.107 0.911 639 HD1 HIS 104 HD1 HIS 104 -2.092 0.274 0.239 640 HD2 HIS 104 HD2 HIS 104 -6.092 -0.878 0.460 641 HE1 HIS 104 HE1 HIS 104 -3.462 2.322 -0.353 642 H VAL 105 H VAL 105 -2.506 -4.328 -2.001 643 HA VAL 105 HA VAL 105 -1.698 -6.614 -0.263 644 HB VAL 105 HB VAL 105 -1.608 -6.227 -3.268 645 1HG1 VAL 105 1HG1 VAL 105 -1.045 -8.510 -3.422 646 2HG1 VAL 105 2HG1 VAL 105 -1.550 -8.840 -1.765 647 3HG1 VAL 105 3HG1 VAL 105 -0.062 -7.944 -2.072 648 1HG2 VAL 105 1HG2 VAL 105 -3.692 -7.291 -3.398 649 2HG2 VAL 105 2HG2 VAL 105 -3.894 -6.275 -1.972 650 3HG2 VAL 105 3HG2 VAL 105 -3.544 -7.993 -1.786 651 H ALA 106 H ALA 106 0.244 -6.097 0.737 652 HA ALA 106 HA ALA 106 2.241 -4.334 -0.328 653 1HB ALA 106 1HB ALA 106 2.185 -4.753 2.011 654 2HB ALA 106 2HB ALA 106 3.632 -5.595 1.458 655 3HB ALA 106 3HB ALA 106 2.152 -6.501 1.777 656 H LEU 107 H LEU 107 3.845 -4.744 -1.829 657 HA LEU 107 HA LEU 107 4.025 -7.490 -2.957 658 1HB LEU 107 2HB LEU 107 5.097 -4.784 -3.813 659 2HB LEU 107 1HB LEU 107 5.251 -6.267 -4.756 660 HG LEU 107 HG LEU 107 2.687 -4.860 -3.968 661 1HD1 LEU 107 1HD1 LEU 107 2.398 -4.907 -6.491 662 2HD1 LEU 107 2HD1 LEU 107 4.075 -5.446 -6.596 663 3HD1 LEU 107 3HD1 LEU 107 3.697 -3.866 -5.908 664 1HD2 LEU 107 1HD2 LEU 107 1.610 -6.736 -5.295 665 2HD2 LEU 107 2HD2 LEU 107 2.284 -7.229 -3.741 666 3HD2 LEU 107 3HD2 LEU 107 3.160 -7.576 -5.232 667 H THR 108 H THR 108 6.161 -8.450 -3.327 668 HA THR 108 HA THR 108 8.434 -7.329 -1.773 669 HB THR 108 HB THR 108 7.229 -10.082 -1.338 670 HG1 THR 108 HG1 THR 108 6.221 -9.233 0.303 671 1HG2 THR 108 1HG2 THR 108 8.858 -9.789 0.731 672 2HG2 THR 108 2HG2 THR 108 9.695 -8.692 -0.368 673 3HG2 THR 108 3HG2 THR 108 9.464 -10.382 -0.815 674 H PHE 109 H PHE 109 10.409 -8.858 -2.119 675 HA PHE 109 HA PHE 109 10.265 -10.205 -4.793 676 1HB PHE 109 2HB PHE 109 12.050 -8.002 -3.781 677 2HB PHE 109 1HB PHE 109 12.629 -9.094 -5.041 678 HD1 PHE 109 HD1 PHE 109 10.357 -6.357 -4.230 679 HD2 PHE 109 HD2 PHE 109 11.413 -9.262 -7.213 680 HE1 PHE 109 HE1 PHE 109 9.073 -5.081 -5.925 681 HE2 PHE 109 HE2 PHE 109 10.128 -7.986 -8.909 682 HZ PHE 109 HZ PHE 109 8.955 -5.897 -8.263 683 H GLY 110 H GLY 110 10.904 -12.299 -4.458 684 1HA GLY 110 2HA GLY 110 12.367 -13.115 -2.096 685 2HA GLY 110 1HA GLY 110 11.975 -14.149 -3.470 Start of MODEL 11 1 1H ALA 1 1H ALA 1 -17.404 -4.683 1.774 2 2H ALA 1 2H ALA 1 -16.328 -5.965 1.486 3 3H ALA 1 3H ALA 1 -17.545 -6.124 2.659 4 HA ALA 1 HA ALA 1 -18.764 -7.123 1.082 5 1HB ALA 1 1HB ALA 1 -19.070 -4.325 1.075 6 2HB ALA 1 2HB ALA 1 -20.232 -5.509 0.484 7 3HB ALA 1 3HB ALA 1 -19.065 -4.791 -0.624 8 HA PRO 2 HA PRO 2 -16.500 -6.419 -3.050 9 1HB PRO 2 2HB PRO 2 -14.455 -4.607 -3.132 10 2HB PRO 2 1HB PRO 2 -16.146 -4.178 -3.454 11 1HG PRO 2 2HG PRO 2 -14.514 -3.729 -1.016 12 2HG PRO 2 1HG PRO 2 -15.792 -2.730 -1.724 13 1HD PRO 2 2HD PRO 2 -16.119 -4.388 0.462 14 2HD PRO 2 1HD PRO 2 -17.438 -3.817 -0.582 15 H ALA 3 H ALA 3 -13.924 -6.598 -3.778 16 HA ALA 3 HA ALA 3 -12.330 -7.855 -1.618 17 1HB ALA 3 1HB ALA 3 -14.087 -9.291 -3.273 18 2HB ALA 3 2HB ALA 3 -12.816 -9.970 -2.257 19 3HB ALA 3 3HB ALA 3 -12.484 -9.589 -3.946 20 H PHE 4 H PHE 4 -10.091 -8.042 -2.196 21 HA PHE 4 HA PHE 4 -9.247 -7.174 -4.911 22 1HB PHE 4 2HB PHE 4 -9.576 -5.115 -3.595 23 2HB PHE 4 1HB PHE 4 -8.535 -5.753 -2.322 24 HD1 PHE 4 HD1 PHE 4 -6.400 -4.833 -2.304 25 HD2 PHE 4 HD2 PHE 4 -8.359 -5.486 -6.071 26 HE1 PHE 4 HE1 PHE 4 -4.407 -3.958 -3.494 27 HE2 PHE 4 HE2 PHE 4 -6.366 -4.611 -7.259 28 HZ PHE 4 HZ PHE 4 -4.391 -3.849 -5.971 29 H SER 5 H SER 5 -7.818 -8.814 -5.415 30 HA SER 5 HA SER 5 -5.598 -9.371 -3.517 31 1HB SER 5 2HB SER 5 -7.643 -10.874 -3.115 32 2HB SER 5 1HB SER 5 -7.291 -11.591 -4.683 33 HG SER 5 HG SER 5 -6.293 -12.424 -2.547 34 H VAL 6 H VAL 6 -3.758 -10.254 -4.575 35 HA VAL 6 HA VAL 6 -3.930 -10.380 -7.570 36 HB VAL 6 HB VAL 6 -2.810 -8.365 -6.481 37 1HG1 VAL 6 1HG1 VAL 6 -0.543 -10.256 -5.879 38 2HG1 VAL 6 2HG1 VAL 6 -1.798 -9.955 -4.675 39 3HG1 VAL 6 3HG1 VAL 6 -0.811 -8.621 -5.273 40 1HG2 VAL 6 1HG2 VAL 6 -0.826 -8.472 -7.974 41 2HG2 VAL 6 2HG2 VAL 6 -2.284 -9.039 -8.788 42 3HG2 VAL 6 3HG2 VAL 6 -1.099 -10.199 -8.190 43 H SER 7 H SER 7 -2.446 -11.950 -8.557 44 HA SER 7 HA SER 7 -2.113 -14.371 -6.974 45 1HB SER 7 2HB SER 7 -1.750 -13.440 -9.763 46 2HB SER 7 1HB SER 7 -0.766 -14.820 -9.287 47 HG SER 7 HG SER 7 -3.161 -14.989 -10.076 48 HA PRO 8 HA PRO 8 2.553 -13.608 -7.347 49 1HB PRO 8 2HB PRO 8 3.484 -11.466 -8.763 50 2HB PRO 8 1HB PRO 8 3.140 -13.042 -9.507 51 1HG PRO 8 2HG PRO 8 1.519 -10.549 -9.524 52 2HG PRO 8 1HG PRO 8 1.755 -11.758 -10.794 53 1HD PRO 8 2HD PRO 8 -0.487 -11.614 -9.221 54 2HD PRO 8 1HD PRO 8 0.084 -13.095 -10.016 55 H ALA 9 H ALA 9 1.821 -12.916 -5.135 56 HA ALA 9 HA ALA 9 1.862 -10.005 -4.592 57 1HB ALA 9 1HB ALA 9 0.507 -12.201 -3.597 58 2HB ALA 9 2HB ALA 9 0.591 -10.625 -2.812 59 3HB ALA 9 3HB ALA 9 1.719 -11.900 -2.352 60 H SER 10 H SER 10 4.136 -12.476 -4.843 61 HA SER 10 HA SER 10 6.088 -10.900 -3.229 62 1HB SER 10 2HB SER 10 6.765 -12.871 -2.030 63 2HB SER 10 1HB SER 10 5.010 -12.789 -1.916 64 HG SER 10 HG SER 10 5.853 -14.879 -2.523 65 H GLY 11 H GLY 11 8.336 -11.411 -3.826 66 1HA GLY 11 2HA GLY 11 10.025 -11.885 -5.382 67 2HA GLY 11 1HA GLY 11 9.031 -13.245 -5.905 68 H LEU 12 H LEU 12 8.538 -9.704 -6.021 69 HA LEU 12 HA LEU 12 7.508 -9.963 -8.778 70 1HB LEU 12 2HB LEU 12 7.801 -7.712 -6.772 71 2HB LEU 12 1HB LEU 12 7.122 -7.477 -8.383 72 HG LEU 12 HG LEU 12 5.997 -9.737 -6.826 73 1HD1 LEU 12 1HD1 LEU 12 6.368 -7.493 -5.370 74 2HD1 LEU 12 2HD1 LEU 12 4.952 -8.529 -5.182 75 3HD1 LEU 12 3HD1 LEU 12 4.854 -7.072 -6.171 76 1HD2 LEU 12 1HD2 LEU 12 5.045 -7.587 -8.712 77 2HD2 LEU 12 2HD2 LEU 12 3.885 -8.517 -7.763 78 3HD2 LEU 12 3HD2 LEU 12 4.955 -9.339 -8.898 79 H SER 13 H SER 13 8.460 -8.752 -10.559 80 HA SER 13 HA SER 13 11.278 -7.875 -10.111 81 1HB SER 13 2HB SER 13 10.833 -10.231 -11.106 82 2HB SER 13 1HB SER 13 10.340 -9.365 -12.556 83 HG SER 13 HG SER 13 12.852 -9.595 -11.344 84 H ASP 14 H ASP 14 12.024 -6.298 -11.704 85 HA ASP 14 HA ASP 14 10.104 -4.299 -12.413 86 1HB ASP 14 2HB ASP 14 12.568 -4.028 -12.008 87 2HB ASP 14 1HB ASP 14 12.865 -4.821 -13.557 88 H GLY 15 H GLY 15 8.568 -4.556 -13.992 89 1HA GLY 15 2HA GLY 15 8.052 -4.643 -16.370 90 2HA GLY 15 1HA GLY 15 9.412 -5.744 -16.576 91 H GLN 16 H GLN 16 8.713 -7.367 -14.240 92 HA GLN 16 HA GLN 16 7.192 -9.414 -15.395 93 1HB GLN 16 2HB GLN 16 8.593 -9.459 -13.307 94 2HB GLN 16 1HB GLN 16 7.284 -8.624 -12.468 95 1HG GLN 16 2HG GLN 16 5.766 -10.535 -13.281 96 2HG GLN 16 1HG GLN 16 7.256 -11.393 -13.677 97 1HE2 GLN 16 1HE2 GLN 16 5.032 -10.886 -11.180 98 2HE2 GLN 16 2HE2 GLN 16 6.003 -11.370 -9.875 99 H SER 17 H SER 17 4.971 -9.899 -15.450 100 HA SER 17 HA SER 17 3.137 -7.624 -14.872 101 1HB SER 17 2HB SER 17 3.048 -8.524 -17.097 102 2HB SER 17 1HB SER 17 2.977 -10.177 -16.494 103 HG SER 17 HG SER 17 0.924 -9.201 -17.156 104 H VAL 18 H VAL 18 1.202 -7.986 -13.633 105 HA VAL 18 HA VAL 18 1.203 -10.467 -11.973 106 HB VAL 18 HB VAL 18 0.483 -8.954 -10.106 107 1HG1 VAL 18 1HG1 VAL 18 3.062 -7.925 -11.286 108 2HG1 VAL 18 2HG1 VAL 18 2.928 -9.588 -10.711 109 3HG1 VAL 18 3HG1 VAL 18 2.676 -8.246 -9.595 110 1HG2 VAL 18 1HG2 VAL 18 1.180 -6.777 -12.114 111 2HG2 VAL 18 2HG2 VAL 18 0.764 -6.517 -10.419 112 3HG2 VAL 18 3HG2 VAL 18 -0.445 -7.149 -11.536 113 H SER 19 H SER 19 -0.906 -11.218 -11.378 114 HA SER 19 HA SER 19 -3.075 -10.206 -13.152 115 1HB SER 19 2HB SER 19 -3.770 -12.384 -13.150 116 2HB SER 19 1HB SER 19 -2.132 -12.700 -12.586 117 HG SER 19 HG SER 19 -4.553 -12.715 -11.213 118 H VAL 20 H VAL 20 -4.777 -9.077 -12.296 119 HA VAL 20 HA VAL 20 -5.012 -8.991 -9.312 120 HB VAL 20 HB VAL 20 -5.450 -6.956 -11.499 121 1HG1 VAL 20 1HG1 VAL 20 -7.352 -6.820 -9.939 122 2HG1 VAL 20 2HG1 VAL 20 -6.277 -5.439 -9.717 123 3HG1 VAL 20 3HG1 VAL 20 -6.240 -6.780 -8.573 124 1HG2 VAL 20 1HG2 VAL 20 -3.577 -7.379 -9.205 125 2HG2 VAL 20 2HG2 VAL 20 -3.979 -5.724 -9.663 126 3HG2 VAL 20 3HG2 VAL 20 -3.236 -6.809 -10.838 127 H SER 21 H SER 21 -7.112 -9.082 -8.443 128 HA SER 21 HA SER 21 -9.370 -9.531 -10.339 129 1HB SER 21 2HB SER 21 -8.749 -11.421 -8.067 130 2HB SER 21 1HB SER 21 -9.848 -11.676 -9.419 131 HG SER 21 HG SER 21 -7.357 -12.397 -9.285 132 H VAL 22 H VAL 22 -11.236 -8.629 -9.567 133 HA VAL 22 HA VAL 22 -11.356 -7.921 -6.656 134 HB VAL 22 HB VAL 22 -12.289 -6.331 -9.067 135 1HG1 VAL 22 1HG1 VAL 22 -13.327 -6.220 -6.560 136 2HG1 VAL 22 2HG1 VAL 22 -13.213 -4.817 -7.624 137 3HG1 VAL 22 3HG1 VAL 22 -11.984 -5.090 -6.389 138 1HG2 VAL 22 1HG2 VAL 22 -10.059 -5.855 -9.180 139 2HG2 VAL 22 2HG2 VAL 22 -9.752 -6.446 -7.547 140 3HG2 VAL 22 3HG2 VAL 22 -10.394 -4.822 -7.790 141 H SER 23 H SER 23 -13.448 -8.071 -5.721 142 HA SER 23 HA SER 23 -15.739 -8.898 -7.406 143 1HB SER 23 2HB SER 23 -15.237 -10.696 -5.123 144 2HB SER 23 1HB SER 23 -15.718 -11.092 -6.770 145 HG SER 23 HG SER 23 -13.708 -11.542 -7.139 146 H GLY 24 H GLY 24 -17.608 -9.486 -5.629 147 1HA GLY 24 2HA GLY 24 -18.899 -8.717 -3.815 148 2HA GLY 24 1HA GLY 24 -17.416 -8.068 -3.115 149 H ALA 25 H ALA 25 -18.067 -7.075 -6.336 150 HA ALA 25 HA ALA 25 -19.013 -4.433 -5.310 151 1HB ALA 25 1HB ALA 25 -17.730 -3.508 -7.221 152 2HB ALA 25 2HB ALA 25 -17.261 -5.146 -7.676 153 3HB ALA 25 3HB ALA 25 -16.700 -4.461 -6.152 154 H ALA 26 H ALA 26 -19.544 -3.346 -7.882 155 HA ALA 26 HA ALA 26 -21.266 -5.075 -9.444 156 1HB ALA 26 1HB ALA 26 -22.928 -3.051 -8.102 157 2HB ALA 26 2HB ALA 26 -22.290 -4.286 -7.014 158 3HB ALA 26 3HB ALA 26 -23.266 -4.755 -8.406 159 H ALA 27 H ALA 27 -22.384 -3.858 -11.141 160 HA ALA 27 HA ALA 27 -20.818 -1.896 -12.408 161 1HB ALA 27 1HB ALA 27 -23.507 -1.532 -13.174 162 2HB ALA 27 2HB ALA 27 -23.378 -3.219 -12.673 163 3HB ALA 27 3HB ALA 27 -22.324 -2.592 -13.940 164 H GLY 28 H GLY 28 -20.599 0.277 -12.077 165 1HA GLY 28 2HA GLY 28 -21.721 2.454 -11.664 166 2HA GLY 28 1HA GLY 28 -22.643 1.644 -10.400 167 H GLU 29 H GLU 29 -19.300 0.800 -10.719 168 HA GLU 29 HA GLU 29 -18.528 2.700 -8.550 169 1HB GLU 29 2HB GLU 29 -18.108 -0.298 -8.424 170 2HB GLU 29 1HB GLU 29 -17.786 0.877 -7.147 171 1HG GLU 29 2HG GLU 29 -20.308 1.467 -7.354 172 2HG GLU 29 1HG GLU 29 -20.444 -0.080 -8.193 173 H THR 30 H THR 30 -16.698 3.656 -9.344 174 HA THR 30 HA THR 30 -14.818 2.003 -10.997 175 HB THR 30 HB THR 30 -15.156 5.014 -10.732 176 HG1 THR 30 HG1 THR 30 -16.233 4.833 -12.691 177 1HG2 THR 30 1HG2 THR 30 -13.116 3.373 -11.915 178 2HG2 THR 30 2HG2 THR 30 -13.223 5.132 -11.866 179 3HG2 THR 30 3HG2 THR 30 -13.973 4.240 -13.188 180 H TYR 31 H TYR 31 -12.839 1.541 -10.061 181 HA TYR 31 HA TYR 31 -12.070 3.089 -7.606 182 1HB TYR 31 2HB TYR 31 -11.089 0.342 -8.379 183 2HB TYR 31 1HB TYR 31 -11.162 1.066 -6.775 184 HD1 TYR 31 HD1 TYR 31 -13.744 2.000 -6.292 185 HD2 TYR 31 HD2 TYR 31 -12.610 -1.375 -8.695 186 HE1 TYR 31 HE1 TYR 31 -15.989 1.002 -5.949 187 HE2 TYR 31 HE2 TYR 31 -14.853 -2.374 -8.353 188 HH TYR 31 HH TYR 31 -16.853 -1.652 -6.042 189 H TYR 32 H TYR 32 -9.570 2.922 -7.263 190 HA TYR 32 HA TYR 32 -8.175 3.393 -9.882 191 1HB TYR 32 2HB TYR 32 -7.457 4.767 -7.292 192 2HB TYR 32 1HB TYR 32 -7.163 5.309 -8.942 193 HD1 TYR 32 HD1 TYR 32 -9.009 6.067 -6.155 194 HD2 TYR 32 HD2 TYR 32 -9.580 5.339 -10.348 195 HE1 TYR 32 HE1 TYR 32 -11.112 7.379 -6.096 196 HE2 TYR 32 HE2 TYR 32 -11.683 6.651 -10.290 197 HH TYR 32 HH TYR 32 -12.494 8.711 -7.837 198 H ILE 33 H ILE 33 -6.479 1.970 -10.140 199 HA ILE 33 HA ILE 33 -5.424 0.577 -7.710 200 HB ILE 33 HB ILE 33 -6.384 -0.807 -9.479 201 1HG1 ILE 33 2HG1 ILE 33 -3.569 -1.345 -10.111 202 2HG1 ILE 33 1HG1 ILE 33 -3.850 -1.106 -8.386 203 1HG2 ILE 33 1HG2 ILE 33 -6.220 -0.154 -11.627 204 2HG2 ILE 33 2HG2 ILE 33 -4.480 -0.434 -11.575 205 3HG2 ILE 33 3HG2 ILE 33 -5.130 1.151 -11.153 206 1HD1 ILE 33 1HD1 ILE 33 -4.282 -3.389 -8.614 207 2HD1 ILE 33 2HD1 ILE 33 -4.997 -3.194 -10.215 208 3HD1 ILE 33 3HD1 ILE 33 -5.899 -2.703 -8.781 209 H ALA 34 H ALA 34 -3.418 1.208 -6.992 210 HA ALA 34 HA ALA 34 -1.363 2.022 -8.968 211 1HB ALA 34 1HB ALA 34 -2.342 4.126 -8.584 212 2HB ALA 34 2HB ALA 34 -1.012 4.097 -7.426 213 3HB ALA 34 3HB ALA 34 -2.658 3.768 -6.886 214 H GLN 35 H GLN 35 0.782 2.024 -8.065 215 HA GLN 35 HA GLN 35 1.038 0.679 -5.390 216 1HB GLN 35 2HB GLN 35 1.438 -0.777 -7.395 217 2HB GLN 35 1HB GLN 35 2.711 0.332 -7.905 218 1HG GLN 35 2HG GLN 35 3.938 -0.094 -5.811 219 2HG GLN 35 1HG GLN 35 2.662 -1.195 -5.286 220 1HE2 GLN 35 1HE2 GLN 35 5.636 -1.072 -6.941 221 2HE2 GLN 35 2HE2 GLN 35 5.554 -2.589 -7.698 222 H CYS 36 H CYS 36 2.504 1.733 -3.998 223 HA CYS 36 HA CYS 36 4.444 3.663 -5.206 224 1HB CYS 36 2HB CYS 36 2.709 4.464 -2.869 225 2HB CYS 36 1HB CYS 36 3.597 5.499 -3.978 226 H ALA 37 H ALA 37 5.743 4.690 -3.240 227 HA ALA 37 HA ALA 37 6.155 2.792 -0.996 228 1HB ALA 37 1HB ALA 37 7.457 2.117 -3.131 229 2HB ALA 37 2HB ALA 37 8.386 2.257 -1.640 230 3HB ALA 37 3HB ALA 37 8.434 3.555 -2.833 231 HA PRO 38 HA PRO 38 7.517 6.524 0.910 232 1HB PRO 38 2HB PRO 38 9.496 5.711 2.600 233 2HB PRO 38 1HB PRO 38 7.784 5.329 2.855 234 1HG PRO 38 2HG PRO 38 9.975 3.589 1.922 235 2HG PRO 38 1HG PRO 38 8.478 3.167 2.764 236 1HD PRO 38 2HD PRO 38 9.001 2.881 0.002 237 2HD PRO 38 1HD PRO 38 7.433 2.693 0.812 238 H VAL 39 H VAL 39 9.343 8.085 1.175 239 HA VAL 39 HA VAL 39 11.815 7.473 -0.349 240 HB VAL 39 HB VAL 39 10.094 8.229 -1.980 241 1HG1 VAL 39 1HG1 VAL 39 9.240 9.866 0.042 242 2HG1 VAL 39 2HG1 VAL 39 8.793 10.060 -1.653 243 3HG1 VAL 39 3HG1 VAL 39 10.123 11.000 -0.978 244 1HG2 VAL 39 1HG2 VAL 39 12.663 8.952 -1.905 245 2HG2 VAL 39 2HG2 VAL 39 11.952 10.556 -1.729 246 3HG2 VAL 39 3HG2 VAL 39 11.571 9.573 -3.143 247 H GLY 40 H GLY 40 13.477 9.147 0.006 248 1HA GLY 40 2HA GLY 40 13.751 10.032 2.649 249 2HA GLY 40 1HA GLY 40 14.611 10.755 1.291 250 H GLY 41 H GLY 41 12.436 11.863 -0.123 251 1HA GLY 41 2HA GLY 41 12.053 14.323 1.288 252 2HA GLY 41 1HA GLY 41 11.163 13.841 -0.154 253 H GLN 42 H GLN 42 9.920 11.541 0.799 254 HA GLN 42 HA GLN 42 8.619 11.661 3.293 255 1HB GLN 42 2HB GLN 42 7.971 13.835 1.605 256 2HB GLN 42 1HB GLN 42 6.567 12.768 1.573 257 1HG GLN 42 2HG GLN 42 7.113 12.699 4.214 258 2HG GLN 42 1HG GLN 42 7.716 14.313 3.831 259 1HE2 GLN 42 1HE2 GLN 42 5.023 12.960 5.029 260 2HE2 GLN 42 2HE2 GLN 42 3.829 13.953 4.344 261 H ASP 43 H ASP 43 6.980 11.627 0.132 262 HA ASP 43 HA ASP 43 6.873 8.660 0.177 263 1HB ASP 43 2HB ASP 43 4.982 9.886 1.527 264 2HB ASP 43 1HB ASP 43 4.326 10.236 -0.074 265 H ALA 44 H ALA 44 6.805 7.844 -1.904 266 HA ALA 44 HA ALA 44 6.142 9.722 -4.141 267 1HB ALA 44 1HB ALA 44 8.080 8.252 -5.243 268 2HB ALA 44 2HB ALA 44 8.563 8.060 -3.558 269 3HB ALA 44 3HB ALA 44 8.461 9.672 -4.268 270 H CYS 45 H CYS 45 5.842 8.335 -6.240 271 HA CYS 45 HA CYS 45 4.897 5.577 -5.725 272 1HB CYS 45 2HB CYS 45 3.065 7.148 -5.087 273 2HB CYS 45 1HB CYS 45 3.084 7.786 -6.731 274 H ASN 46 H ASN 46 4.195 4.525 -7.813 275 HA ASN 46 HA ASN 46 6.017 5.246 -9.985 276 1HB ASN 46 2HB ASN 46 5.340 2.928 -9.132 277 2HB ASN 46 1HB ASN 46 3.807 3.183 -9.965 278 1HD2 ASN 46 1HD2 ASN 46 6.426 1.449 -10.488 279 2HD2 ASN 46 2HD2 ASN 46 6.685 1.691 -12.148 280 HA PRO 47 HA PRO 47 2.822 7.646 -11.965 281 1HB PRO 47 2HB PRO 47 4.440 8.774 -13.845 282 2HB PRO 47 1HB PRO 47 4.396 9.316 -12.156 283 1HG PRO 47 2HG PRO 47 6.455 7.756 -13.569 284 2HG PRO 47 1HG PRO 47 6.598 8.777 -12.133 285 1HD PRO 47 2HD PRO 47 6.452 5.939 -12.219 286 2HD PRO 47 1HD PRO 47 6.443 6.977 -10.777 287 H ALA 48 H ALA 48 5.123 5.601 -13.739 288 HA ALA 48 HA ALA 48 3.608 5.519 -16.208 289 1HB ALA 48 1HB ALA 48 5.365 3.251 -15.555 290 2HB ALA 48 2HB ALA 48 6.118 4.829 -15.319 291 3HB ALA 48 3HB ALA 48 5.458 4.394 -16.896 292 H THR 49 H THR 49 2.701 4.320 -13.254 293 HA THR 49 HA THR 49 1.289 1.993 -14.519 294 HB THR 49 HB THR 49 1.468 0.952 -12.260 295 HG1 THR 49 HG1 THR 49 2.316 2.033 -10.648 296 1HG2 THR 49 1HG2 THR 49 3.451 1.265 -14.189 297 2HG2 THR 49 2HG2 THR 49 3.443 0.072 -12.890 298 3HG2 THR 49 3HG2 THR 49 4.275 1.610 -12.670 299 H ALA 50 H ALA 50 0.731 5.044 -13.505 300 HA ALA 50 HA ALA 50 -1.478 4.753 -11.663 301 1HB ALA 50 1HB ALA 50 -1.836 7.113 -12.221 302 2HB ALA 50 2HB ALA 50 -0.828 6.944 -13.658 303 3HB ALA 50 3HB ALA 50 -0.108 6.802 -12.055 304 H THR 51 H THR 51 -3.442 3.854 -12.169 305 HA THR 51 HA THR 51 -4.807 4.559 -14.673 306 HB THR 51 HB THR 51 -3.265 2.734 -15.321 307 HG1 THR 51 HG1 THR 51 -5.034 2.519 -16.489 308 1HG2 THR 51 1HG2 THR 51 -2.862 1.509 -13.366 309 2HG2 THR 51 2HG2 THR 51 -3.921 0.433 -14.277 310 3HG2 THR 51 3HG2 THR 51 -4.576 1.408 -12.961 311 H SER 52 H SER 52 -7.046 3.571 -14.702 312 HA SER 52 HA SER 52 -7.982 2.731 -11.982 313 1HB SER 52 2HB SER 52 -8.308 5.155 -12.323 314 2HB SER 52 1HB SER 52 -9.185 4.832 -13.816 315 HG SER 52 HG SER 52 -10.770 3.805 -12.621 316 H PHE 53 H PHE 53 -10.167 1.703 -12.084 317 HA PHE 53 HA PHE 53 -10.996 0.712 -14.767 318 1HB PHE 53 2HB PHE 53 -10.942 -1.621 -13.838 319 2HB PHE 53 1HB PHE 53 -9.343 -0.885 -13.944 320 HD1 PHE 53 HD1 PHE 53 -8.542 0.428 -11.814 321 HD2 PHE 53 HD2 PHE 53 -11.644 -2.542 -11.807 322 HE1 PHE 53 HE1 PHE 53 -8.233 0.112 -9.375 323 HE2 PHE 53 HE2 PHE 53 -11.333 -2.860 -9.367 324 HZ PHE 53 HZ PHE 53 -9.627 -1.532 -8.150 325 H THR 54 H THR 54 -13.049 -0.829 -14.289 326 HA THR 54 HA THR 54 -14.617 0.210 -11.989 327 HB THR 54 HB THR 54 -15.517 0.301 -14.881 328 HG1 THR 54 HG1 THR 54 -14.546 2.141 -14.941 329 1HG2 THR 54 1HG2 THR 54 -16.765 1.742 -12.554 330 2HG2 THR 54 2HG2 THR 54 -17.197 0.068 -12.903 331 3HG2 THR 54 3HG2 THR 54 -17.483 1.324 -14.109 332 H THR 55 H THR 55 -16.450 -1.143 -11.462 333 HA THR 55 HA THR 55 -16.073 -3.970 -12.059 334 HB THR 55 HB THR 55 -18.288 -4.016 -10.708 335 HG1 THR 55 HG1 THR 55 -19.020 -1.982 -11.069 336 1HG2 THR 55 1HG2 THR 55 -16.587 -4.485 -9.287 337 2HG2 THR 55 2HG2 THR 55 -16.851 -2.834 -8.727 338 3HG2 THR 55 3HG2 THR 55 -15.585 -3.174 -9.905 339 H ASP 56 H ASP 56 -18.875 -4.753 -12.255 340 HA ASP 56 HA ASP 56 -19.956 -3.464 -14.689 341 1HB ASP 56 2HB ASP 56 -17.955 -5.310 -15.006 342 2HB ASP 56 1HB ASP 56 -19.391 -6.325 -15.123 343 H ALA 57 H ALA 57 -21.363 -5.912 -15.507 344 HA ALA 57 HA ALA 57 -23.679 -5.744 -13.860 345 1HB ALA 57 1HB ALA 57 -24.154 -7.978 -15.117 346 2HB ALA 57 2HB ALA 57 -22.614 -7.662 -15.917 347 3HB ALA 57 3HB ALA 57 -23.943 -6.512 -16.074 348 H SER 58 H SER 58 -21.145 -8.239 -14.003 349 HA SER 58 HA SER 58 -22.260 -9.645 -11.683 350 1HB SER 58 2HB SER 58 -20.575 -10.196 -13.859 351 2HB SER 58 1HB SER 58 -19.529 -10.308 -12.447 352 HG SER 58 HG SER 58 -21.601 -11.916 -13.262 353 H GLY 59 H GLY 59 -20.823 -6.754 -11.851 354 1HA GLY 59 2HA GLY 59 -19.449 -5.478 -10.440 355 2HA GLY 59 1HA GLY 59 -20.103 -6.503 -9.163 356 H ALA 60 H ALA 60 -17.945 -7.246 -11.905 357 HA ALA 60 HA ALA 60 -15.955 -8.199 -9.885 358 1HB ALA 60 1HB ALA 60 -17.316 -9.504 -12.132 359 2HB ALA 60 2HB ALA 60 -16.494 -10.229 -10.750 360 3HB ALA 60 3HB ALA 60 -15.566 -9.718 -12.161 361 H ALA 61 H ALA 61 -14.020 -7.177 -10.081 362 HA ALA 61 HA ALA 61 -13.382 -5.851 -12.693 363 1HB ALA 61 1HB ALA 61 -11.822 -4.800 -10.583 364 2HB ALA 61 2HB ALA 61 -13.445 -5.013 -9.927 365 3HB ALA 61 3HB ALA 61 -13.198 -4.030 -11.371 366 H SER 62 H SER 62 -12.373 -7.915 -13.413 367 HA SER 62 HA SER 62 -9.784 -8.530 -12.021 368 1HB SER 62 2HB SER 62 -10.050 -10.741 -13.008 369 2HB SER 62 1HB SER 62 -11.559 -10.305 -12.213 370 HG SER 62 HG SER 62 -11.942 -9.371 -14.517 371 H PHE 63 H PHE 63 -7.950 -7.927 -13.128 372 HA PHE 63 HA PHE 63 -7.914 -8.004 -16.078 373 1HB PHE 63 2HB PHE 63 -7.220 -5.554 -16.104 374 2HB PHE 63 1HB PHE 63 -8.911 -5.854 -15.709 375 HD1 PHE 63 HD1 PHE 63 -9.528 -6.045 -13.202 376 HD2 PHE 63 HD2 PHE 63 -5.852 -4.339 -14.627 377 HE1 PHE 63 HE1 PHE 63 -9.231 -4.877 -11.035 378 HE2 PHE 63 HE2 PHE 63 -5.554 -3.170 -12.459 379 HZ PHE 63 HZ PHE 63 -7.244 -3.441 -10.663 380 H SER 64 H SER 64 -5.663 -7.135 -16.833 381 HA SER 64 HA SER 64 -3.611 -8.385 -15.088 382 1HB SER 64 2HB SER 64 -2.291 -7.896 -17.307 383 2HB SER 64 1HB SER 64 -3.510 -9.167 -17.297 384 HG SER 64 HG SER 64 -4.605 -8.036 -18.681 385 H PHE 65 H PHE 65 -1.683 -7.252 -14.523 386 HA PHE 65 HA PHE 65 -1.637 -4.305 -14.973 387 1HB PHE 65 2HB PHE 65 -2.828 -4.905 -12.847 388 2HB PHE 65 1HB PHE 65 -1.365 -5.719 -12.301 389 HD1 PHE 65 HD1 PHE 65 -2.611 -2.415 -13.528 390 HD2 PHE 65 HD2 PHE 65 0.323 -4.519 -11.203 391 HE1 PHE 65 HE1 PHE 65 -1.701 -0.257 -12.718 392 HE2 PHE 65 HE2 PHE 65 1.230 -2.361 -10.396 393 HZ PHE 65 HZ PHE 65 0.219 -0.236 -11.152 394 H VAL 66 H VAL 66 0.596 -3.506 -13.880 395 HA VAL 66 HA VAL 66 2.714 -5.578 -14.340 396 HB VAL 66 HB VAL 66 2.959 -2.716 -15.262 397 1HG1 VAL 66 1HG1 VAL 66 4.760 -3.517 -16.535 398 2HG1 VAL 66 2HG1 VAL 66 4.162 -5.177 -16.509 399 3HG1 VAL 66 3HG1 VAL 66 4.882 -4.476 -15.059 400 1HG2 VAL 66 1HG2 VAL 66 1.115 -3.252 -16.566 401 2HG2 VAL 66 2HG2 VAL 66 1.459 -4.981 -16.524 402 3HG2 VAL 66 3HG2 VAL 66 2.399 -3.921 -17.573 403 H VAL 67 H VAL 67 4.770 -5.018 -13.257 404 HA VAL 67 HA VAL 67 4.459 -2.957 -11.099 405 HB VAL 67 HB VAL 67 5.493 -4.609 -9.564 406 1HG1 VAL 67 1HG1 VAL 67 3.535 -6.340 -9.774 407 2HG1 VAL 67 2HG1 VAL 67 2.963 -5.269 -11.055 408 3HG1 VAL 67 3HG1 VAL 67 3.156 -4.655 -9.412 409 1HG2 VAL 67 1HG2 VAL 67 5.035 -6.917 -11.296 410 2HG2 VAL 67 2HG2 VAL 67 6.449 -6.515 -10.322 411 3HG2 VAL 67 3HG2 VAL 67 6.274 -5.842 -11.944 412 H ARG 68 H ARG 68 6.555 -2.227 -10.214 413 HA ARG 68 HA ARG 68 8.889 -2.723 -12.023 414 1HB ARG 68 2HB ARG 68 7.427 -0.213 -11.317 415 2HB ARG 68 1HB ARG 68 9.180 -0.112 -11.497 416 1HG ARG 68 2HG ARG 68 7.631 -1.570 -13.601 417 2HG ARG 68 1HG ARG 68 7.571 0.193 -13.595 418 1HD ARG 68 2HD ARG 68 10.209 -0.041 -13.333 419 2HD ARG 68 1HD ARG 68 9.907 -1.613 -14.102 420 HE ARG 68 HE ARG 68 8.793 -0.395 -15.958 421 1HH1 ARG 68 1HH2 ARG 68 8.386 2.185 -14.399 422 2HH1 ARG 68 2HH2 ARG 68 9.588 3.207 -15.116 423 1HH2 ARG 68 1HH1 ARG 68 11.323 0.585 -16.580 424 2HH2 ARG 68 2HH1 ARG 68 11.250 2.300 -16.351 425 H LYS 69 H LYS 69 10.835 -2.906 -10.891 426 HA LYS 69 HA LYS 69 10.742 -3.089 -7.981 427 1HB LYS 69 2HB LYS 69 12.093 -4.435 -9.740 428 2HB LYS 69 1HB LYS 69 13.201 -3.064 -9.731 429 1HG LYS 69 2HG LYS 69 12.767 -3.552 -7.032 430 2HG LYS 69 1HG LYS 69 12.844 -5.169 -7.736 431 1HD LYS 69 2HD LYS 69 14.885 -3.243 -8.700 432 2HD LYS 69 1HD LYS 69 15.047 -3.760 -7.022 433 1HE LYS 69 2HE LYS 69 16.297 -5.349 -8.339 434 2HE LYS 69 1HE LYS 69 14.784 -6.167 -7.897 435 1HZ LYS 69 1HZ LYS 69 15.550 -6.033 -10.390 436 2HZ LYS 69 2HZ LYS 69 14.814 -4.503 -10.308 437 3HZ LYS 69 3HZ LYS 69 13.912 -5.903 -9.972 438 H SER 70 H SER 70 12.314 -0.876 -10.313 439 HA SER 70 HA SER 70 12.633 1.087 -8.066 440 1HB SER 70 2HB SER 70 14.841 1.438 -8.699 441 2HB SER 70 1HB SER 70 14.670 -0.269 -9.096 442 HG SER 70 HG SER 70 14.461 1.975 -10.827 443 H TYR 71 H TYR 71 12.254 3.270 -8.640 444 HA TYR 71 HA TYR 71 11.777 4.036 -11.435 445 1HB TYR 71 2HB TYR 71 9.383 4.521 -11.061 446 2HB TYR 71 1HB TYR 71 9.723 2.811 -10.799 447 HD1 TYR 71 HD1 TYR 71 9.535 6.064 -8.945 448 HD2 TYR 71 HD2 TYR 71 9.074 1.796 -8.791 449 HE1 TYR 71 HE1 TYR 71 8.663 6.244 -6.630 450 HE2 TYR 71 HE2 TYR 71 8.200 1.974 -6.475 451 HH TYR 71 HH TYR 71 7.175 4.865 -5.115 452 H THR 72 H THR 72 11.452 6.358 -11.631 453 HA THR 72 HA THR 72 12.826 7.930 -9.640 454 HB THR 72 HB THR 72 10.996 9.059 -11.741 455 HG1 THR 72 HG1 THR 72 11.975 7.973 -13.221 456 1HG2 THR 72 1HG2 THR 72 13.751 9.708 -10.675 457 2HG2 THR 72 2HG2 THR 72 12.279 10.661 -10.496 458 3HG2 THR 72 3HG2 THR 72 13.044 10.511 -12.077 459 H GLY 73 H GLY 73 11.812 8.126 -7.638 460 1HA GLY 73 2HA GLY 73 9.142 8.029 -6.953 461 2HA GLY 73 1HA GLY 73 10.276 9.097 -6.124 462 H SER 74 H SER 74 7.408 9.528 -6.866 463 HA SER 74 HA SER 74 7.664 12.274 -7.787 464 1HB SER 74 2HB SER 74 6.587 11.954 -9.953 465 2HB SER 74 1HB SER 74 8.012 10.924 -9.867 466 HG SER 74 HG SER 74 6.762 9.188 -9.718 467 H THR 75 H THR 75 6.107 13.197 -6.506 468 HA THR 75 HA THR 75 3.956 11.842 -5.253 469 HB THR 75 HB THR 75 3.167 14.147 -4.812 470 HG1 THR 75 HG1 THR 75 3.862 15.788 -5.986 471 1HG2 THR 75 1HG2 THR 75 6.036 13.377 -4.586 472 2HG2 THR 75 2HG2 THR 75 4.854 13.693 -3.316 473 3HG2 THR 75 3HG2 THR 75 5.600 15.037 -4.182 474 HA PRO 76 HA PRO 76 0.890 11.618 -8.364 475 1HB PRO 76 2HB PRO 76 -1.383 11.843 -6.872 476 2HB PRO 76 1HB PRO 76 -0.356 10.398 -6.852 477 1HG PRO 76 2HG PRO 76 -0.583 12.581 -4.859 478 2HG PRO 76 1HG PRO 76 -0.247 10.860 -4.621 479 1HD PRO 76 2HD PRO 76 1.654 12.883 -4.571 480 2HD PRO 76 1HD PRO 76 1.997 11.157 -4.821 481 H GLU 77 H GLU 77 1.593 14.467 -6.809 482 HA GLU 77 HA GLU 77 -0.642 16.009 -8.017 483 1HB GLU 77 2HB GLU 77 -0.180 16.464 -5.700 484 2HB GLU 77 1HB GLU 77 1.547 16.622 -6.022 485 1HG GLU 77 2HG GLU 77 1.036 18.583 -7.500 486 2HG GLU 77 1HG GLU 77 -0.650 18.468 -6.993 487 H GLY 78 H GLY 78 2.805 15.427 -8.328 488 1HA GLY 78 2HA GLY 78 3.637 15.869 -10.692 489 2HA GLY 78 1HA GLY 78 2.893 17.460 -10.523 490 H THR 79 H THR 79 5.227 15.386 -8.765 491 HA THR 79 HA THR 79 7.144 17.632 -8.684 492 HB THR 79 HB THR 79 5.865 16.417 -6.216 493 HG1 THR 79 HG1 THR 79 4.621 18.081 -6.337 494 1HG2 THR 79 1HG2 THR 79 8.319 18.039 -6.652 495 2HG2 THR 79 2HG2 THR 79 7.968 16.842 -5.405 496 3HG2 THR 79 3HG2 THR 79 7.308 18.472 -5.273 497 HA PRO 80 HA PRO 80 9.202 13.595 -8.998 498 1HB PRO 80 2HB PRO 80 11.292 14.520 -10.496 499 2HB PRO 80 1HB PRO 80 9.729 14.058 -11.199 500 1HG PRO 80 2HG PRO 80 10.803 16.766 -10.593 501 2HG PRO 80 1HG PRO 80 9.807 16.223 -11.953 502 1HD PRO 80 2HD PRO 80 8.824 17.588 -9.785 503 2HD PRO 80 1HD PRO 80 7.853 16.494 -10.796 504 H VAL 81 H VAL 81 10.144 13.213 -7.005 505 HA VAL 81 HA VAL 81 11.924 15.176 -5.743 506 HB VAL 81 HB VAL 81 11.290 12.326 -4.948 507 1HG1 VAL 81 1HG1 VAL 81 11.768 13.100 -2.709 508 2HG1 VAL 81 2HG1 VAL 81 11.901 14.770 -3.263 509 3HG1 VAL 81 3HG1 VAL 81 13.115 13.582 -3.741 510 1HG2 VAL 81 1HG2 VAL 81 9.143 12.945 -4.662 511 2HG2 VAL 81 2HG2 VAL 81 9.511 14.563 -5.262 512 3HG2 VAL 81 3HG2 VAL 81 9.676 14.201 -3.544 513 H GLY 82 H GLY 82 12.392 11.690 -6.347 514 1HA GLY 82 2HA GLY 82 14.866 12.092 -7.809 515 2HA GLY 82 1HA GLY 82 15.162 11.600 -6.143 516 H SER 83 H SER 83 16.005 9.565 -6.797 517 HA SER 83 HA SER 83 14.303 7.726 -8.361 518 1HB SER 83 2HB SER 83 17.071 7.825 -7.239 519 2HB SER 83 1HB SER 83 16.392 6.242 -7.608 520 HG SER 83 HG SER 83 16.258 6.781 -9.705 521 H VAL 84 H VAL 84 13.619 5.631 -7.469 522 HA VAL 84 HA VAL 84 13.621 5.414 -4.495 523 HB VAL 84 HB VAL 84 11.193 5.451 -6.309 524 1HG1 VAL 84 1HG1 VAL 84 9.891 4.670 -4.554 525 2HG1 VAL 84 2HG1 VAL 84 11.025 5.232 -3.326 526 3HG1 VAL 84 3HG1 VAL 84 11.378 3.772 -4.250 527 1HG2 VAL 84 1HG2 VAL 84 11.933 7.683 -5.774 528 2HG2 VAL 84 2HG2 VAL 84 12.180 7.252 -4.082 529 3HG2 VAL 84 3HG2 VAL 84 10.547 7.331 -4.743 530 H ASP 85 H ASP 85 14.547 3.411 -4.257 531 HA ASP 85 HA ASP 85 13.749 1.229 -6.145 532 1HB ASP 85 2HB ASP 85 16.126 1.929 -4.464 533 2HB ASP 85 1HB ASP 85 15.807 0.216 -4.740 534 H CYS 86 H CYS 86 11.879 0.295 -5.240 535 HA CYS 86 HA CYS 86 11.757 -0.073 -2.304 536 1HB CYS 86 2HB CYS 86 9.465 -0.210 -2.635 537 2HB CYS 86 1HB CYS 86 9.912 0.725 -4.054 538 H ALA 87 H ALA 87 13.604 -1.668 -4.151 539 HA ALA 87 HA ALA 87 12.607 -4.375 -4.285 540 1HB ALA 87 1HB ALA 87 14.573 -4.614 -5.399 541 2HB ALA 87 2HB ALA 87 15.500 -4.065 -4.003 542 3HB ALA 87 3HB ALA 87 14.821 -2.889 -5.130 543 H THR 88 H THR 88 14.487 -2.544 -1.904 544 HA THR 88 HA THR 88 14.277 -4.859 -0.007 545 HB THR 88 HB THR 88 16.565 -4.322 -0.576 546 HG1 THR 88 HG1 THR 88 17.319 -3.684 1.448 547 1HG2 THR 88 1HG2 THR 88 15.532 -1.536 -0.369 548 2HG2 THR 88 2HG2 THR 88 16.668 -2.232 -1.526 549 3HG2 THR 88 3HG2 THR 88 17.211 -1.809 0.098 550 H ALA 89 H ALA 89 13.002 -1.841 -0.719 551 HA ALA 89 HA ALA 89 12.704 -0.891 2.056 552 1HB ALA 89 1HB ALA 89 13.108 0.485 -0.091 553 2HB ALA 89 2HB ALA 89 11.856 1.068 1.005 554 3HB ALA 89 3HB ALA 89 11.408 0.181 -0.453 555 H ALA 90 H ALA 90 9.963 0.177 1.167 556 HA ALA 90 HA ALA 90 8.419 -2.338 1.708 557 1HB ALA 90 1HB ALA 90 7.965 -1.192 3.610 558 2HB ALA 90 2HB ALA 90 6.879 -0.249 2.591 559 3HB ALA 90 3HB ALA 90 8.510 0.336 2.921 560 H CYS 91 H CYS 91 7.644 -2.800 -0.356 561 HA CYS 91 HA CYS 91 6.466 -0.584 -1.946 562 1HB CYS 91 2HB CYS 91 8.013 -2.857 -2.496 563 2HB CYS 91 1HB CYS 91 6.405 -3.273 -3.082 564 H ASN 92 H ASN 92 4.257 -0.310 -1.901 565 HA ASN 92 HA ASN 92 2.574 -2.680 -1.143 566 1HB ASN 92 2HB ASN 92 1.164 -0.911 0.054 567 2HB ASN 92 1HB ASN 92 2.736 -1.254 0.774 568 1HD2 ASN 92 1HD2 ASN 92 3.127 0.848 1.663 569 2HD2 ASN 92 2HD2 ASN 92 3.317 2.233 0.700 570 H LEU 93 H LEU 93 0.737 -2.943 -2.386 571 HA LEU 93 HA LEU 93 0.155 -0.845 -4.459 572 1HB LEU 93 2HB LEU 93 1.069 -2.797 -5.505 573 2HB LEU 93 1HB LEU 93 0.137 -3.878 -4.471 574 HG LEU 93 HG LEU 93 -1.931 -2.660 -5.576 575 1HD1 LEU 93 1HD1 LEU 93 -0.578 -0.992 -6.785 576 2HD1 LEU 93 2HD1 LEU 93 -1.460 -2.020 -7.914 577 3HD1 LEU 93 3HD1 LEU 93 0.261 -2.288 -7.639 578 1HD2 LEU 93 1HD2 LEU 93 -1.562 -4.329 -7.597 579 2HD2 LEU 93 2HD2 LEU 93 -1.804 -4.950 -5.964 580 3HD2 LEU 93 3HD2 LEU 93 -0.177 -4.849 -6.638 581 H GLY 94 H GLY 94 -1.717 0.183 -3.733 582 1HA GLY 94 2HA GLY 94 -3.820 -1.576 -2.523 583 2HA GLY 94 1HA GLY 94 -3.624 0.125 -2.118 584 H ALA 95 H ALA 95 -6.073 -0.918 -2.966 585 HA ALA 95 HA ALA 95 -6.439 0.596 -5.519 586 1HB ALA 95 1HB ALA 95 -7.493 -1.244 -6.559 587 2HB ALA 95 2HB ALA 95 -7.753 -2.072 -5.023 588 3HB ALA 95 3HB ALA 95 -6.132 -1.987 -5.717 589 H GLY 96 H GLY 96 -8.690 1.302 -5.799 590 1HA GLY 96 2HA GLY 96 -11.001 1.401 -4.946 591 2HA GLY 96 1HA GLY 96 -10.362 1.075 -3.335 592 H ASN 97 H ASN 97 -11.860 3.171 -3.190 593 HA ASN 97 HA ASN 97 -10.043 5.532 -3.414 594 1HB ASN 97 2HB ASN 97 -11.997 6.835 -4.024 595 2HB ASN 97 1HB ASN 97 -11.946 5.411 -5.064 596 1HD2 ASN 97 1HD2 ASN 97 -13.734 6.991 -2.486 597 2HD2 ASN 97 2HD2 ASN 97 -15.009 5.874 -2.430 598 H SER 98 H SER 98 -11.917 7.260 -2.044 599 HA SER 98 HA SER 98 -11.455 6.325 0.724 600 1HB SER 98 2HB SER 98 -11.905 8.660 1.262 601 2HB SER 98 1HB SER 98 -10.802 8.594 -0.110 602 HG SER 98 HG SER 98 -12.268 9.560 -1.253 603 H GLY 99 H GLY 99 -13.279 4.630 0.197 604 1HA GLY 99 2HA GLY 99 -15.630 5.349 1.637 605 2HA GLY 99 1HA GLY 99 -15.993 5.426 -0.088 606 H LEU 100 H LEU 100 -14.754 3.351 -1.211 607 HA LEU 100 HA LEU 100 -16.238 1.037 -0.240 608 1HB LEU 100 2HB LEU 100 -14.227 1.594 -2.432 609 2HB LEU 100 1HB LEU 100 -14.897 -0.018 -2.174 610 HG LEU 100 HG LEU 100 -16.217 1.157 -3.860 611 1HD1 LEU 100 1HD1 LEU 100 -17.205 -0.117 -1.629 612 2HD1 LEU 100 2HD1 LEU 100 -18.173 0.357 -3.025 613 3HD1 LEU 100 3HD1 LEU 100 -18.096 1.404 -1.607 614 1HD2 LEU 100 1HD2 LEU 100 -16.896 3.190 -1.729 615 2HD2 LEU 100 2HD2 LEU 100 -17.236 3.270 -3.456 616 3HD2 LEU 100 3HD2 LEU 100 -15.582 3.444 -2.877 617 H ASP 101 H ASP 101 -12.926 2.175 -0.130 618 HA ASP 101 HA ASP 101 -11.017 1.295 0.963 619 1HB ASP 101 2HB ASP 101 -13.429 0.678 2.646 620 2HB ASP 101 1HB ASP 101 -11.840 0.128 3.176 621 H LEU 102 H LEU 102 -10.695 -0.244 -0.891 622 HA LEU 102 HA LEU 102 -11.711 -2.965 -0.709 623 1HB LEU 102 2HB LEU 102 -9.398 -1.810 -2.291 624 2HB LEU 102 1HB LEU 102 -10.292 -3.284 -2.661 625 HG LEU 102 HG LEU 102 -11.325 -0.441 -2.730 626 1HD1 LEU 102 1HD1 LEU 102 -10.750 -0.653 -4.896 627 2HD1 LEU 102 2HD1 LEU 102 -12.003 -1.886 -5.037 628 3HD1 LEU 102 3HD1 LEU 102 -10.341 -2.355 -4.678 629 1HD2 LEU 102 1HD2 LEU 102 -13.456 -1.748 -3.543 630 2HD2 LEU 102 2HD2 LEU 102 -13.159 -1.575 -1.813 631 3HD2 LEU 102 3HD2 LEU 102 -12.759 -3.086 -2.628 632 H GLY 103 H GLY 103 -8.304 -1.895 -0.743 633 1HA GLY 103 2HA GLY 103 -7.402 -2.753 1.712 634 2HA GLY 103 1HA GLY 103 -7.518 -4.252 0.788 635 H HIS 104 H HIS 104 -5.060 -3.834 1.500 636 HA HIS 104 HA HIS 104 -3.696 -2.719 -0.923 637 1HB HIS 104 2HB HIS 104 -3.371 -2.137 1.991 638 2HB HIS 104 1HB HIS 104 -1.918 -2.148 0.994 639 HD1 HIS 104 HD1 HIS 104 -1.394 0.161 0.251 640 HD2 HIS 104 HD2 HIS 104 -5.506 -0.520 0.320 641 HE1 HIS 104 HE1 HIS 104 -2.488 2.290 -0.581 642 H VAL 105 H VAL 105 -2.478 -4.330 -1.825 643 HA VAL 105 HA VAL 105 -1.835 -6.757 -0.279 644 HB VAL 105 HB VAL 105 -1.370 -5.947 -3.166 645 1HG1 VAL 105 1HG1 VAL 105 0.075 -7.746 -2.820 646 2HG1 VAL 105 2HG1 VAL 105 -1.402 -8.565 -3.327 647 3HG1 VAL 105 3HG1 VAL 105 -0.978 -8.491 -1.617 648 1HG2 VAL 105 1HG2 VAL 105 -3.747 -6.743 -1.706 649 2HG2 VAL 105 2HG2 VAL 105 -3.360 -7.935 -2.948 650 3HG2 VAL 105 3HG2 VAL 105 -3.597 -6.243 -3.392 651 H ALA 106 H ALA 106 0.022 -6.590 0.963 652 HA ALA 106 HA ALA 106 2.175 -4.765 0.433 653 1HB ALA 106 1HB ALA 106 3.015 -5.659 2.391 654 2HB ALA 106 2HB ALA 106 2.621 -7.313 1.920 655 3HB ALA 106 3HB ALA 106 1.357 -6.241 2.523 656 H LEU 107 H LEU 107 3.588 -4.941 -1.269 657 HA LEU 107 HA LEU 107 3.938 -7.545 -2.626 658 1HB LEU 107 2HB LEU 107 5.090 -4.801 -3.199 659 2HB LEU 107 1HB LEU 107 5.041 -6.169 -4.312 660 HG LEU 107 HG LEU 107 2.574 -4.894 -3.098 661 1HD1 LEU 107 1HD1 LEU 107 2.765 -4.487 -5.916 662 2HD1 LEU 107 2HD1 LEU 107 4.281 -3.947 -5.196 663 3HD1 LEU 107 3HD1 LEU 107 2.751 -3.268 -4.642 664 1HD2 LEU 107 1HD2 LEU 107 1.525 -6.692 -3.968 665 2HD2 LEU 107 2HD2 LEU 107 3.069 -7.332 -4.532 666 3HD2 LEU 107 3HD2 LEU 107 2.128 -6.260 -5.569 667 H THR 108 H THR 108 6.094 -8.392 -3.061 668 HA THR 108 HA THR 108 8.124 -7.630 -0.987 669 HB THR 108 HB THR 108 7.734 -10.378 -2.181 670 HG1 THR 108 HG1 THR 108 6.593 -10.577 0.011 671 1HG2 THR 108 1HG2 THR 108 9.453 -10.862 -0.822 672 2HG2 THR 108 2HG2 THR 108 8.490 -10.351 0.565 673 3HG2 THR 108 3HG2 THR 108 9.505 -9.184 -0.280 674 H PHE 109 H PHE 109 10.389 -8.175 -1.699 675 HA PHE 109 HA PHE 109 10.766 -8.453 -4.633 676 1HB PHE 109 2HB PHE 109 11.123 -6.018 -2.974 677 2HB PHE 109 1HB PHE 109 12.430 -6.364 -4.107 678 HD1 PHE 109 HD1 PHE 109 11.971 -6.541 -6.542 679 HD2 PHE 109 HD2 PHE 109 8.929 -5.366 -3.747 680 HE1 PHE 109 HE1 PHE 109 10.588 -5.680 -8.412 681 HE2 PHE 109 HE2 PHE 109 7.543 -4.507 -5.617 682 HZ PHE 109 HZ PHE 109 8.373 -4.666 -7.951 683 H GLY 110 H GLY 110 13.256 -8.453 -5.063 684 1HA GLY 110 2HA GLY 110 14.852 -9.386 -2.760 685 2HA GLY 110 1HA GLY 110 14.583 -10.562 -4.048 Start of MODEL 12 1 1H ALA 1 1H ALA 1 -17.957 -6.466 1.767 2 2H ALA 1 2H ALA 1 -16.825 -7.575 1.159 3 3H ALA 1 3H ALA 1 -18.141 -8.125 2.081 4 HA ALA 1 HA ALA 1 -19.193 -8.499 0.153 5 1HB ALA 1 1HB ALA 1 -19.550 -5.864 1.066 6 2HB ALA 1 2HB ALA 1 -20.622 -6.754 -0.013 7 3HB ALA 1 3HB ALA 1 -19.362 -5.719 -0.681 8 HA PRO 2 HA PRO 2 -16.553 -6.479 -3.269 9 1HB PRO 2 2HB PRO 2 -14.571 -4.752 -2.549 10 2HB PRO 2 1HB PRO 2 -16.242 -4.230 -2.866 11 1HG PRO 2 2HG PRO 2 -14.850 -4.655 -0.273 12 2HG PRO 2 1HG PRO 2 -16.061 -3.446 -0.723 13 1HD PRO 2 2HD PRO 2 -16.597 -5.720 0.738 14 2HD PRO 2 1HD PRO 2 -17.803 -4.823 -0.208 15 H ALA 3 H ALA 3 -14.120 -6.745 -3.967 16 HA ALA 3 HA ALA 3 -12.482 -8.284 -2.050 17 1HB ALA 3 1HB ALA 3 -14.133 -9.887 -2.951 18 2HB ALA 3 2HB ALA 3 -12.506 -10.282 -3.509 19 3HB ALA 3 3HB ALA 3 -13.636 -9.470 -4.589 20 H PHE 4 H PHE 4 -10.338 -7.991 -2.528 21 HA PHE 4 HA PHE 4 -9.511 -7.311 -5.304 22 1HB PHE 4 2HB PHE 4 -9.990 -5.161 -4.358 23 2HB PHE 4 1HB PHE 4 -9.240 -5.595 -2.823 24 HD1 PHE 4 HD1 PHE 4 -7.795 -3.567 -2.966 25 HD2 PHE 4 HD2 PHE 4 -7.636 -6.678 -5.922 26 HE1 PHE 4 HE1 PHE 4 -5.632 -2.680 -3.785 27 HE2 PHE 4 HE2 PHE 4 -5.472 -5.790 -6.740 28 HZ PHE 4 HZ PHE 4 -4.470 -3.791 -5.671 29 H SER 5 H SER 5 -8.202 -9.191 -5.406 30 HA SER 5 HA SER 5 -5.876 -9.190 -3.521 31 1HB SER 5 2HB SER 5 -6.910 -10.951 -2.531 32 2HB SER 5 1HB SER 5 -8.036 -11.150 -3.869 33 HG SER 5 HG SER 5 -6.837 -12.812 -4.338 34 H VAL 6 H VAL 6 -4.008 -10.343 -4.374 35 HA VAL 6 HA VAL 6 -4.038 -10.635 -7.362 36 HB VAL 6 HB VAL 6 -2.852 -8.634 -6.268 37 1HG1 VAL 6 1HG1 VAL 6 -1.313 -9.001 -4.661 38 2HG1 VAL 6 2HG1 VAL 6 -0.454 -10.153 -5.682 39 3HG1 VAL 6 3HG1 VAL 6 -1.791 -10.699 -4.670 40 1HG2 VAL 6 1HG2 VAL 6 -2.344 -9.526 -8.559 41 2HG2 VAL 6 2HG2 VAL 6 -1.098 -10.545 -7.841 42 3HG2 VAL 6 3HG2 VAL 6 -0.949 -8.789 -7.774 43 H SER 7 H SER 7 -2.514 -12.322 -8.162 44 HA SER 7 HA SER 7 -2.504 -14.681 -6.477 45 1HB SER 7 2HB SER 7 -1.609 -13.891 -9.203 46 2HB SER 7 1HB SER 7 -0.952 -15.378 -8.537 47 HG SER 7 HG SER 7 -3.251 -15.854 -8.036 48 HA PRO 8 HA PRO 8 2.184 -14.211 -6.117 49 1HB PRO 8 2HB PRO 8 3.538 -12.349 -7.576 50 2HB PRO 8 1HB PRO 8 3.151 -13.964 -8.206 51 1HG PRO 8 2HG PRO 8 1.818 -11.358 -8.737 52 2HG PRO 8 1HG PRO 8 2.128 -12.713 -9.833 53 1HD PRO 8 2HD PRO 8 -0.309 -12.208 -8.673 54 2HD PRO 8 1HD PRO 8 0.231 -13.810 -9.220 55 H ALA 9 H ALA 9 1.681 -13.264 -4.057 56 HA ALA 9 HA ALA 9 1.638 -10.281 -3.913 57 1HB ALA 9 1HB ALA 9 0.950 -10.980 -1.479 58 2HB ALA 9 2HB ALA 9 0.723 -12.573 -2.198 59 3HB ALA 9 3HB ALA 9 -0.205 -11.198 -2.793 60 H SER 10 H SER 10 3.815 -12.818 -3.626 61 HA SER 10 HA SER 10 5.654 -11.128 -1.991 62 1HB SER 10 2HB SER 10 4.370 -13.626 -1.278 63 2HB SER 10 1HB SER 10 6.122 -13.808 -1.271 64 HG SER 10 HG SER 10 4.999 -11.515 -0.124 65 H GLY 11 H GLY 11 7.599 -10.967 -3.054 66 1HA GLY 11 2HA GLY 11 9.520 -11.790 -4.212 67 2HA GLY 11 1HA GLY 11 8.642 -13.281 -4.559 68 H LEU 12 H LEU 12 8.890 -9.865 -5.476 69 HA LEU 12 HA LEU 12 7.765 -10.615 -8.157 70 1HB LEU 12 2HB LEU 12 7.480 -7.985 -6.672 71 2HB LEU 12 1HB LEU 12 6.640 -8.463 -8.150 72 HG LEU 12 HG LEU 12 6.381 -9.885 -5.482 73 1HD1 LEU 12 1HD1 LEU 12 4.255 -8.827 -5.232 74 2HD1 LEU 12 2HD1 LEU 12 4.301 -8.187 -6.876 75 3HD1 LEU 12 3HD1 LEU 12 5.384 -7.536 -5.646 76 1HD2 LEU 12 1HD2 LEU 12 5.891 -10.798 -8.069 77 2HD2 LEU 12 2HD2 LEU 12 4.305 -10.276 -7.503 78 3HD2 LEU 12 3HD2 LEU 12 5.216 -11.478 -6.588 79 H SER 13 H SER 13 8.602 -9.200 -9.941 80 HA SER 13 HA SER 13 11.238 -7.946 -9.313 81 1HB SER 13 2HB SER 13 10.593 -10.310 -10.849 82 2HB SER 13 1HB SER 13 11.396 -9.117 -11.866 83 HG SER 13 HG SER 13 12.284 -10.146 -9.367 84 H ASP 14 H ASP 14 11.913 -6.331 -10.903 85 HA ASP 14 HA ASP 14 9.853 -4.569 -11.786 86 1HB ASP 14 2HB ASP 14 11.737 -3.433 -12.903 87 2HB ASP 14 1HB ASP 14 12.217 -3.983 -11.297 88 H GLY 15 H GLY 15 8.481 -4.868 -13.498 89 1HA GLY 15 2HA GLY 15 8.164 -5.105 -15.905 90 2HA GLY 15 1HA GLY 15 9.538 -6.202 -15.929 91 H GLN 16 H GLN 16 8.793 -7.789 -13.682 92 HA GLN 16 HA GLN 16 7.261 -9.821 -14.833 93 1HB GLN 16 2HB GLN 16 8.648 -9.779 -12.692 94 2HB GLN 16 1HB GLN 16 7.239 -9.068 -11.902 95 1HG GLN 16 2HG GLN 16 5.880 -11.006 -12.484 96 2HG GLN 16 1HG GLN 16 7.216 -11.705 -13.398 97 1HE2 GLN 16 1HE2 GLN 16 5.686 -12.018 -10.486 98 2HE2 GLN 16 2HE2 GLN 16 6.982 -12.561 -9.533 99 H SER 17 H SER 17 5.089 -10.107 -15.195 100 HA SER 17 HA SER 17 3.254 -7.899 -14.437 101 1HB SER 17 2HB SER 17 1.938 -8.712 -16.227 102 2HB SER 17 1HB SER 17 3.591 -8.978 -16.775 103 HG SER 17 HG SER 17 2.101 -10.807 -16.971 104 H VAL 18 H VAL 18 1.566 -8.208 -12.999 105 HA VAL 18 HA VAL 18 1.410 -10.854 -11.627 106 HB VAL 18 HB VAL 18 0.364 -9.387 -9.823 107 1HG1 VAL 18 1HG1 VAL 18 2.769 -10.030 -9.816 108 2HG1 VAL 18 2HG1 VAL 18 2.505 -8.432 -9.117 109 3HG1 VAL 18 3HG1 VAL 18 3.137 -8.584 -10.756 110 1HG2 VAL 18 1HG2 VAL 18 1.479 -7.088 -11.433 111 2HG2 VAL 18 2HG2 VAL 18 0.381 -7.031 -10.054 112 3HG2 VAL 18 3HG2 VAL 18 -0.199 -7.600 -11.620 113 H SER 19 H SER 19 -0.889 -11.310 -10.790 114 HA SER 19 HA SER 19 -2.884 -10.521 -12.886 115 1HB SER 19 2HB SER 19 -3.887 -12.770 -12.278 116 2HB SER 19 1HB SER 19 -2.292 -12.861 -13.017 117 HG SER 19 HG SER 19 -1.411 -13.260 -11.055 118 H VAL 20 H VAL 20 -4.482 -9.225 -12.063 119 HA VAL 20 HA VAL 20 -5.025 -9.389 -9.124 120 HB VAL 20 HB VAL 20 -5.106 -7.199 -11.194 121 1HG1 VAL 20 1HG1 VAL 20 -6.286 -7.051 -8.400 122 2HG1 VAL 20 2HG1 VAL 20 -7.243 -7.161 -9.878 123 3HG1 VAL 20 3HG1 VAL 20 -6.228 -5.749 -9.590 124 1HG2 VAL 20 1HG2 VAL 20 -4.052 -6.754 -8.478 125 2HG2 VAL 20 2HG2 VAL 20 -3.328 -6.379 -10.041 126 3HG2 VAL 20 3HG2 VAL 20 -3.207 -8.010 -9.384 127 H SER 21 H SER 21 -7.204 -9.428 -8.448 128 HA SER 21 HA SER 21 -9.296 -9.690 -10.560 129 1HB SER 21 2HB SER 21 -9.409 -11.675 -8.381 130 2HB SER 21 1HB SER 21 -9.666 -11.895 -10.109 131 HG SER 21 HG SER 21 -7.619 -12.701 -8.847 132 H VAL 22 H VAL 22 -11.156 -8.657 -9.925 133 HA VAL 22 HA VAL 22 -11.457 -7.983 -7.020 134 HB VAL 22 HB VAL 22 -12.401 -6.422 -9.442 135 1HG1 VAL 22 1HG1 VAL 22 -12.645 -4.593 -7.821 136 2HG1 VAL 22 2HG1 VAL 22 -12.046 -5.637 -6.531 137 3HG1 VAL 22 3HG1 VAL 22 -13.591 -5.988 -7.305 138 1HG2 VAL 22 1HG2 VAL 22 -10.458 -5.009 -9.156 139 2HG2 VAL 22 2HG2 VAL 22 -9.891 -6.674 -9.295 140 3HG2 VAL 22 3HG2 VAL 22 -9.965 -5.895 -7.713 141 H SER 23 H SER 23 -13.466 -8.422 -6.109 142 HA SER 23 HA SER 23 -15.775 -9.068 -7.857 143 1HB SER 23 2HB SER 23 -15.932 -11.244 -6.381 144 2HB SER 23 1HB SER 23 -14.856 -11.220 -7.774 145 HG SER 23 HG SER 23 -14.296 -11.327 -5.082 146 H GLY 24 H GLY 24 -17.746 -8.703 -6.778 147 1HA GLY 24 2HA GLY 24 -18.936 -8.701 -4.551 148 2HA GLY 24 1HA GLY 24 -17.528 -7.856 -3.921 149 H ALA 25 H ALA 25 -17.005 -5.735 -5.220 150 HA ALA 25 HA ALA 25 -19.132 -3.897 -4.935 151 1HB ALA 25 1HB ALA 25 -17.599 -2.636 -6.708 152 2HB ALA 25 2HB ALA 25 -16.526 -4.002 -6.416 153 3HB ALA 25 3HB ALA 25 -17.005 -2.958 -5.081 154 H ALA 26 H ALA 26 -19.556 -2.502 -7.282 155 HA ALA 26 HA ALA 26 -20.221 -4.290 -9.504 156 1HB ALA 26 1HB ALA 26 -22.280 -3.314 -7.524 157 2HB ALA 26 2HB ALA 26 -21.997 -4.963 -8.084 158 3HB ALA 26 3HB ALA 26 -22.729 -3.780 -9.166 159 H ALA 27 H ALA 27 -21.305 -3.109 -11.273 160 HA ALA 27 HA ALA 27 -20.207 -0.745 -12.099 161 1HB ALA 27 1HB ALA 27 -23.131 -1.467 -12.420 162 2HB ALA 27 2HB ALA 27 -21.826 -2.260 -13.297 163 3HB ALA 27 3HB ALA 27 -22.140 -0.546 -13.549 164 H GLY 28 H GLY 28 -20.261 1.353 -11.439 165 1HA GLY 28 2HA GLY 28 -21.751 3.261 -10.754 166 2HA GLY 28 1HA GLY 28 -22.410 2.163 -9.545 167 H GLU 29 H GLU 29 -19.153 1.508 -9.855 168 HA GLU 29 HA GLU 29 -18.359 3.523 -7.797 169 1HB GLU 29 2HB GLU 29 -17.913 0.523 -7.663 170 2HB GLU 29 1HB GLU 29 -17.459 1.703 -6.432 171 1HG GLU 29 2HG GLU 29 -19.764 2.229 -5.973 172 2HG GLU 29 1HG GLU 29 -20.310 1.284 -7.360 173 H THR 30 H THR 30 -16.486 4.464 -8.508 174 HA THR 30 HA THR 30 -14.778 2.952 -10.440 175 HB THR 30 HB THR 30 -14.906 5.898 -9.716 176 HG1 THR 30 HG1 THR 30 -16.323 6.088 -11.289 177 1HG2 THR 30 1HG2 THR 30 -12.827 4.633 -10.886 178 2HG2 THR 30 2HG2 THR 30 -13.298 6.284 -11.295 179 3HG2 THR 30 3HG2 THR 30 -13.825 4.939 -12.308 180 H TYR 31 H TYR 31 -12.720 2.347 -9.812 181 HA TYR 31 HA TYR 31 -11.712 3.414 -7.193 182 1HB TYR 31 2HB TYR 31 -11.133 0.729 -8.469 183 2HB TYR 31 1HB TYR 31 -10.814 1.214 -6.805 184 HD1 TYR 31 HD1 TYR 31 -13.588 0.687 -9.260 185 HD2 TYR 31 HD2 TYR 31 -12.432 0.903 -5.131 186 HE1 TYR 31 HE1 TYR 31 -15.843 -0.106 -8.587 187 HE2 TYR 31 HE2 TYR 31 -14.678 0.115 -4.467 188 HH TYR 31 HH TYR 31 -16.551 -1.071 -5.347 189 H TYR 32 H TYR 32 -9.245 3.144 -7.057 190 HA TYR 32 HA TYR 32 -7.930 3.657 -9.701 191 1HB TYR 32 2HB TYR 32 -7.283 5.079 -7.106 192 2HB TYR 32 1HB TYR 32 -6.821 5.547 -8.743 193 HD1 TYR 32 HD1 TYR 32 -8.886 6.481 -6.175 194 HD2 TYR 32 HD2 TYR 32 -9.099 5.573 -10.364 195 HE1 TYR 32 HE1 TYR 32 -10.945 7.850 -6.369 196 HE2 TYR 32 HE2 TYR 32 -11.155 6.941 -10.561 197 HH TYR 32 HH TYR 32 -12.127 9.132 -8.279 198 H ILE 33 H ILE 33 -6.785 1.693 -9.819 199 HA ILE 33 HA ILE 33 -5.420 0.652 -7.406 200 HB ILE 33 HB ILE 33 -6.734 -0.702 -9.131 201 1HG1 ILE 33 2HG1 ILE 33 -3.994 -1.839 -9.133 202 2HG1 ILE 33 1HG1 ILE 33 -4.623 -1.385 -7.550 203 1HG2 ILE 33 1HG2 ILE 33 -5.823 -1.103 -11.254 204 2HG2 ILE 33 2HG2 ILE 33 -4.219 -0.545 -10.778 205 3HG2 ILE 33 3HG2 ILE 33 -5.520 0.619 -11.025 206 1HD1 ILE 33 1HD1 ILE 33 -5.907 -3.257 -9.552 207 2HD1 ILE 33 2HD1 ILE 33 -6.716 -2.678 -8.097 208 3HD1 ILE 33 3HD1 ILE 33 -5.268 -3.675 -7.963 209 H ALA 34 H ALA 34 -3.412 1.421 -6.932 210 HA ALA 34 HA ALA 34 -1.444 1.738 -9.149 211 1HB ALA 34 1HB ALA 34 -0.956 4.004 -8.526 212 2HB ALA 34 2HB ALA 34 -1.940 3.878 -7.068 213 3HB ALA 34 3HB ALA 34 -2.712 3.894 -8.653 214 H GLN 35 H GLN 35 0.795 1.787 -8.327 215 HA GLN 35 HA GLN 35 1.036 0.613 -5.573 216 1HB GLN 35 2HB GLN 35 1.570 -0.978 -7.309 217 2HB GLN 35 1HB GLN 35 2.580 0.201 -8.147 218 1HG GLN 35 2HG GLN 35 3.683 0.156 -5.609 219 2HG GLN 35 1HG GLN 35 3.235 -1.530 -5.869 220 1HE2 GLN 35 1HE2 GLN 35 5.520 0.930 -6.723 221 2HE2 GLN 35 2HE2 GLN 35 6.373 0.034 -7.885 222 H CYS 36 H CYS 36 2.658 1.482 -4.211 223 HA CYS 36 HA CYS 36 4.486 3.559 -5.293 224 1HB CYS 36 2HB CYS 36 2.407 4.004 -3.125 225 2HB CYS 36 1HB CYS 36 3.631 5.178 -3.604 226 H ALA 37 H ALA 37 6.154 4.175 -3.668 227 HA ALA 37 HA ALA 37 6.425 2.290 -1.354 228 1HB ALA 37 1HB ALA 37 8.625 2.970 -3.328 229 2HB ALA 37 2HB ALA 37 7.629 1.521 -3.455 230 3HB ALA 37 3HB ALA 37 8.676 1.751 -2.055 231 HA PRO 38 HA PRO 38 7.694 5.917 0.792 232 1HB PRO 38 2HB PRO 38 9.422 4.885 2.632 233 2HB PRO 38 1HB PRO 38 7.661 4.688 2.727 234 1HG PRO 38 2HG PRO 38 9.727 2.774 1.756 235 2HG PRO 38 1HG PRO 38 8.274 2.470 2.722 236 1HD PRO 38 2HD PRO 38 8.417 1.965 0.045 237 2HD PRO 38 1HD PRO 38 6.904 2.390 0.877 238 H VAL 39 H VAL 39 9.604 7.286 1.295 239 HA VAL 39 HA VAL 39 12.085 6.554 -0.210 240 HB VAL 39 HB VAL 39 12.002 9.008 -0.987 241 1HG1 VAL 39 1HG1 VAL 39 9.664 7.451 -2.048 242 2HG1 VAL 39 2HG1 VAL 39 11.296 6.815 -2.248 243 3HG1 VAL 39 3HG1 VAL 39 10.872 8.385 -2.932 244 1HG2 VAL 39 1HG2 VAL 39 9.866 9.102 0.776 245 2HG2 VAL 39 2HG2 VAL 39 9.072 8.986 -0.791 246 3HG2 VAL 39 3HG2 VAL 39 10.204 10.298 -0.473 247 H GLY 40 H GLY 40 13.917 8.077 0.435 248 1HA GLY 40 2HA GLY 40 14.354 8.144 3.199 249 2HA GLY 40 1HA GLY 40 15.181 9.213 2.065 250 H GLY 41 H GLY 41 12.641 10.455 1.183 251 1HA GLY 41 2HA GLY 41 12.462 12.446 3.322 252 2HA GLY 41 1HA GLY 41 11.675 12.544 1.751 253 H GLN 42 H GLN 42 9.879 10.845 1.452 254 HA GLN 42 HA GLN 42 8.497 10.107 3.972 255 1HB GLN 42 2HB GLN 42 7.983 12.471 2.465 256 2HB GLN 42 1HB GLN 42 6.619 11.380 2.207 257 1HG GLN 42 2HG GLN 42 7.742 12.141 4.918 258 2HG GLN 42 1HG GLN 42 6.286 12.828 4.198 259 1HE2 GLN 42 1HE2 GLN 42 7.531 10.130 5.989 260 2HE2 GLN 42 2HE2 GLN 42 6.101 9.217 6.015 261 H ASP 43 H ASP 43 7.300 10.514 0.642 262 HA ASP 43 HA ASP 43 7.414 7.609 0.167 263 1HB ASP 43 2HB ASP 43 5.418 8.037 1.601 264 2HB ASP 43 1HB ASP 43 4.795 9.118 0.353 265 H ALA 44 H ALA 44 6.486 7.092 -2.019 266 HA ALA 44 HA ALA 44 6.293 9.358 -3.914 267 1HB ALA 44 1HB ALA 44 8.721 8.320 -3.400 268 2HB ALA 44 2HB ALA 44 8.265 8.860 -5.015 269 3HB ALA 44 3HB ALA 44 8.178 7.148 -4.601 270 H CYS 45 H CYS 45 5.541 8.526 -6.083 271 HA CYS 45 HA CYS 45 4.222 5.846 -5.828 272 1HB CYS 45 2HB CYS 45 3.193 8.560 -6.385 273 2HB CYS 45 1HB CYS 45 2.548 7.284 -7.423 274 H ASN 46 H ASN 46 3.724 4.841 -7.939 275 HA ASN 46 HA ASN 46 5.819 5.484 -9.970 276 1HB ASN 46 2HB ASN 46 5.654 3.237 -8.831 277 2HB ASN 46 1HB ASN 46 4.082 3.026 -9.600 278 1HD2 ASN 46 1HD2 ASN 46 5.078 1.134 -10.757 279 2HD2 ASN 46 2HD2 ASN 46 6.046 1.415 -12.122 280 HA PRO 47 HA PRO 47 2.263 6.967 -12.291 281 1HB PRO 47 2HB PRO 47 3.715 8.228 -14.230 282 2HB PRO 47 1HB PRO 47 3.415 8.940 -12.631 283 1HG PRO 47 2HG PRO 47 5.860 7.627 -13.688 284 2HG PRO 47 1HG PRO 47 5.699 8.978 -12.555 285 1HD PRO 47 2HD PRO 47 6.269 6.367 -11.831 286 2HD PRO 47 1HD PRO 47 5.593 7.599 -10.745 287 H ALA 48 H ALA 48 5.046 5.164 -13.452 288 HA ALA 48 HA ALA 48 4.033 4.498 -16.068 289 1HB ALA 48 1HB ALA 48 5.811 2.741 -15.896 290 2HB ALA 48 2HB ALA 48 6.000 3.150 -14.191 291 3HB ALA 48 3HB ALA 48 6.388 4.342 -15.433 292 H THR 49 H THR 49 2.879 3.647 -13.034 293 HA THR 49 HA THR 49 1.570 1.197 -14.143 294 HB THR 49 HB THR 49 1.744 0.480 -11.639 295 HG1 THR 49 HG1 THR 49 3.038 1.637 -10.427 296 1HG2 THR 49 1HG2 THR 49 3.093 -0.881 -12.865 297 2HG2 THR 49 2HG2 THR 49 4.393 0.117 -12.213 298 3HG2 THR 49 3HG2 THR 49 3.737 0.459 -13.814 299 H ALA 50 H ALA 50 1.128 4.297 -12.971 300 HA ALA 50 HA ALA 50 -1.116 4.051 -11.207 301 1HB ALA 50 1HB ALA 50 -1.473 6.442 -12.414 302 2HB ALA 50 2HB ALA 50 0.178 6.103 -12.935 303 3HB ALA 50 3HB ALA 50 -0.208 6.169 -11.215 304 H THR 51 H THR 51 -3.196 3.419 -11.680 305 HA THR 51 HA THR 51 -4.395 4.021 -14.293 306 HB THR 51 HB THR 51 -3.109 2.016 -14.775 307 HG1 THR 51 HG1 THR 51 -4.913 1.698 -15.829 308 1HG2 THR 51 1HG2 THR 51 -4.409 0.114 -13.073 309 2HG2 THR 51 2HG2 THR 51 -3.739 1.403 -12.077 310 3HG2 THR 51 3HG2 THR 51 -2.692 0.504 -13.171 311 H SER 52 H SER 52 -6.693 3.796 -14.245 312 HA SER 52 HA SER 52 -7.859 3.140 -11.556 313 1HB SER 52 2HB SER 52 -8.015 5.482 -11.852 314 2HB SER 52 1HB SER 52 -8.363 5.332 -13.569 315 HG SER 52 HG SER 52 -10.330 5.632 -12.771 316 H PHE 53 H PHE 53 -9.744 1.851 -11.586 317 HA PHE 53 HA PHE 53 -10.890 1.128 -14.253 318 1HB PHE 53 2HB PHE 53 -10.636 -1.216 -13.750 319 2HB PHE 53 1HB PHE 53 -9.075 -0.462 -13.425 320 HD1 PHE 53 HD1 PHE 53 -8.624 0.334 -11.000 321 HD2 PHE 53 HD2 PHE 53 -11.737 -2.432 -12.059 322 HE1 PHE 53 HE1 PHE 53 -8.738 -0.439 -8.646 323 HE2 PHE 53 HE2 PHE 53 -11.850 -3.207 -9.703 324 HZ PHE 53 HZ PHE 53 -10.350 -2.209 -7.997 325 H THR 54 H THR 54 -13.120 0.883 -14.169 326 HA THR 54 HA THR 54 -14.421 1.194 -11.506 327 HB THR 54 HB THR 54 -15.224 1.761 -14.367 328 HG1 THR 54 HG1 THR 54 -14.543 3.645 -13.804 329 1HG2 THR 54 1HG2 THR 54 -16.905 1.918 -11.854 330 2HG2 THR 54 2HG2 THR 54 -17.178 0.852 -13.232 331 3HG2 THR 54 3HG2 THR 54 -17.367 2.596 -13.414 332 H THR 55 H THR 55 -16.209 -0.247 -10.969 333 HA THR 55 HA THR 55 -15.883 -2.973 -11.792 334 HB THR 55 HB THR 55 -18.317 -3.009 -10.745 335 HG1 THR 55 HG1 THR 55 -18.950 -1.020 -10.582 336 1HG2 THR 55 1HG2 THR 55 -16.016 -3.593 -9.714 337 2HG2 THR 55 2HG2 THR 55 -17.335 -3.197 -8.611 338 3HG2 THR 55 3HG2 THR 55 -16.100 -1.995 -8.979 339 H ASP 56 H ASP 56 -18.297 -4.024 -12.536 340 HA ASP 56 HA ASP 56 -19.242 -2.453 -14.907 341 1HB ASP 56 2HB ASP 56 -17.217 -4.170 -15.208 342 2HB ASP 56 1HB ASP 56 -18.544 -5.329 -15.300 343 H ALA 57 H ALA 57 -20.700 -4.605 -16.075 344 HA ALA 57 HA ALA 57 -23.111 -4.580 -14.587 345 1HB ALA 57 1HB ALA 57 -22.355 -5.269 -17.081 346 2HB ALA 57 2HB ALA 57 -23.892 -5.792 -16.392 347 3HB ALA 57 3HB ALA 57 -22.503 -6.880 -16.375 348 H SER 58 H SER 58 -20.766 -7.229 -14.960 349 HA SER 58 HA SER 58 -22.040 -8.836 -12.893 350 1HB SER 58 2HB SER 58 -19.844 -10.142 -13.267 351 2HB SER 58 1HB SER 58 -20.901 -9.957 -14.664 352 HG SER 58 HG SER 58 -18.493 -8.630 -14.030 353 H GLY 59 H GLY 59 -20.310 -6.026 -12.710 354 1HA GLY 59 2HA GLY 59 -19.055 -4.971 -11.047 355 2HA GLY 59 1HA GLY 59 -19.894 -6.042 -9.932 356 H ALA 60 H ALA 60 -17.590 -6.828 -12.529 357 HA ALA 60 HA ALA 60 -15.773 -7.942 -10.428 358 1HB ALA 60 1HB ALA 60 -16.730 -9.108 -13.052 359 2HB ALA 60 2HB ALA 60 -16.960 -9.773 -11.435 360 3HB ALA 60 3HB ALA 60 -15.354 -9.766 -12.167 361 H ALA 61 H ALA 61 -13.653 -7.287 -10.660 362 HA ALA 61 HA ALA 61 -12.879 -6.000 -13.261 363 1HB ALA 61 1HB ALA 61 -12.478 -4.151 -12.039 364 2HB ALA 61 2HB ALA 61 -11.342 -5.053 -11.036 365 3HB ALA 61 3HB ALA 61 -13.051 -4.994 -10.601 366 H SER 62 H SER 62 -11.984 -8.141 -13.894 367 HA SER 62 HA SER 62 -9.521 -8.936 -12.378 368 1HB SER 62 2HB SER 62 -9.974 -10.965 -14.076 369 2HB SER 62 1HB SER 62 -10.836 -10.835 -12.548 370 HG SER 62 HG SER 62 -11.727 -10.519 -15.137 371 H PHE 63 H PHE 63 -7.633 -8.216 -13.303 372 HA PHE 63 HA PHE 63 -7.315 -8.347 -16.245 373 1HB PHE 63 2HB PHE 63 -6.584 -5.895 -16.192 374 2HB PHE 63 1HB PHE 63 -8.312 -6.186 -15.993 375 HD1 PHE 63 HD1 PHE 63 -5.154 -5.521 -14.134 376 HD2 PHE 63 HD2 PHE 63 -9.449 -5.561 -13.996 377 HE1 PHE 63 HE1 PHE 63 -5.093 -4.372 -11.936 378 HE2 PHE 63 HE2 PHE 63 -9.388 -4.412 -11.796 379 HZ PHE 63 HZ PHE 63 -7.210 -3.815 -10.765 380 H SER 64 H SER 64 -5.008 -7.757 -16.857 381 HA SER 64 HA SER 64 -3.125 -8.862 -14.850 382 1HB SER 64 2HB SER 64 -3.031 -9.752 -17.075 383 2HB SER 64 1HB SER 64 -3.025 -8.145 -17.792 384 HG SER 64 HG SER 64 -0.931 -8.910 -17.770 385 H PHE 65 H PHE 65 -1.719 -7.596 -13.718 386 HA PHE 65 HA PHE 65 -1.444 -4.710 -14.500 387 1HB PHE 65 2HB PHE 65 -2.674 -5.193 -12.400 388 2HB PHE 65 1HB PHE 65 -1.293 -6.110 -11.804 389 HD1 PHE 65 HD1 PHE 65 -2.146 -2.721 -13.170 390 HD2 PHE 65 HD2 PHE 65 0.308 -5.027 -10.502 391 HE1 PHE 65 HE1 PHE 65 -1.134 -0.635 -12.292 392 HE2 PHE 65 HE2 PHE 65 1.319 -2.939 -9.627 393 HZ PHE 65 HZ PHE 65 0.597 -0.744 -10.522 394 H VAL 66 H VAL 66 0.777 -3.868 -13.358 395 HA VAL 66 HA VAL 66 2.913 -5.925 -13.801 396 HB VAL 66 HB VAL 66 3.217 -3.043 -14.625 397 1HG1 VAL 66 1HG1 VAL 66 4.788 -4.041 -16.237 398 2HG1 VAL 66 2HG1 VAL 66 4.349 -5.654 -15.672 399 3HG1 VAL 66 3HG1 VAL 66 5.183 -4.538 -14.592 400 1HG2 VAL 66 1HG2 VAL 66 1.150 -3.755 -15.722 401 2HG2 VAL 66 2HG2 VAL 66 1.909 -5.259 -16.242 402 3HG2 VAL 66 3HG2 VAL 66 2.450 -3.720 -16.915 403 H VAL 67 H VAL 67 4.938 -5.423 -12.640 404 HA VAL 67 HA VAL 67 4.569 -3.442 -10.405 405 HB VAL 67 HB VAL 67 5.729 -5.156 -8.981 406 1HG1 VAL 67 1HG1 VAL 67 3.072 -5.487 -10.261 407 2HG1 VAL 67 2HG1 VAL 67 3.493 -5.373 -8.551 408 3HG1 VAL 67 3HG1 VAL 67 3.691 -6.902 -9.408 409 1HG2 VAL 67 1HG2 VAL 67 6.630 -7.019 -9.891 410 2HG2 VAL 67 2HG2 VAL 67 6.343 -6.285 -11.468 411 3HG2 VAL 67 3HG2 VAL 67 5.148 -7.380 -10.775 412 H ARG 68 H ARG 68 6.228 -1.976 -10.327 413 HA ARG 68 HA ARG 68 8.765 -2.616 -11.783 414 1HB ARG 68 2HB ARG 68 6.988 -0.396 -11.650 415 2HB ARG 68 1HB ARG 68 8.505 0.116 -10.911 416 1HG ARG 68 2HG ARG 68 8.415 0.485 -13.400 417 2HG ARG 68 1HG ARG 68 9.757 -0.535 -12.877 418 1HD ARG 68 2HD ARG 68 8.955 -2.343 -14.003 419 2HD ARG 68 1HD ARG 68 7.295 -2.048 -13.445 420 HE ARG 68 HE ARG 68 7.199 -0.211 -15.187 421 1HH1 ARG 68 1HH2 ARG 68 8.162 -3.274 -15.875 422 2HH1 ARG 68 2HH2 ARG 68 8.983 -2.914 -17.353 423 1HH2 ARG 68 1HH1 ARG 68 8.851 0.518 -16.886 424 2HH2 ARG 68 2HH1 ARG 68 9.374 -0.763 -17.928 425 H LYS 69 H LYS 69 10.675 -2.758 -10.608 426 HA LYS 69 HA LYS 69 10.572 -2.815 -7.705 427 1HB LYS 69 2HB LYS 69 12.012 -4.268 -9.080 428 2HB LYS 69 1HB LYS 69 12.873 -2.850 -9.681 429 1HG LYS 69 2HG LYS 69 13.929 -2.453 -7.649 430 2HG LYS 69 1HG LYS 69 12.671 -3.268 -6.721 431 1HD LYS 69 2HD LYS 69 13.418 -5.441 -7.733 432 2HD LYS 69 1HD LYS 69 14.764 -4.577 -8.477 433 1HE LYS 69 2HE LYS 69 15.596 -5.519 -6.407 434 2HE LYS 69 1HE LYS 69 15.382 -3.781 -6.121 435 1HZ LYS 69 1HZ LYS 69 13.262 -4.164 -5.149 436 2HZ LYS 69 2HZ LYS 69 14.344 -5.237 -4.397 437 3HZ LYS 69 3HZ LYS 69 13.274 -5.801 -5.591 438 H SER 70 H SER 70 12.089 -0.611 -10.084 439 HA SER 70 HA SER 70 12.134 1.497 -7.955 440 1HB SER 70 2HB SER 70 14.321 0.912 -9.965 441 2HB SER 70 1HB SER 70 14.392 2.077 -8.648 442 HG SER 70 HG SER 70 15.412 0.047 -8.173 443 H TYR 71 H TYR 71 11.911 3.658 -8.798 444 HA TYR 71 HA TYR 71 11.760 4.184 -11.654 445 1HB TYR 71 2HB TYR 71 9.304 4.513 -11.701 446 2HB TYR 71 1HB TYR 71 9.718 2.848 -11.296 447 HD1 TYR 71 HD1 TYR 71 9.044 6.148 -9.636 448 HD2 TYR 71 HD2 TYR 71 8.758 1.866 -9.398 449 HE1 TYR 71 HE1 TYR 71 7.789 6.350 -7.509 450 HE2 TYR 71 HE2 TYR 71 7.499 2.070 -7.267 451 HH TYR 71 HH TYR 71 6.647 5.264 -5.934 452 H THR 72 H THR 72 11.587 6.452 -12.048 453 HA THR 72 HA THR 72 12.463 8.255 -10.046 454 HB THR 72 HB THR 72 10.662 9.203 -12.246 455 HG1 THR 72 HG1 THR 72 11.688 8.122 -13.698 456 1HG2 THR 72 1HG2 THR 72 12.651 10.303 -10.609 457 2HG2 THR 72 2HG2 THR 72 11.904 11.065 -12.013 458 3HG2 THR 72 3HG2 THR 72 13.402 10.153 -12.197 459 H GLY 73 H GLY 73 11.370 9.047 -8.268 460 1HA GLY 73 2HA GLY 73 8.385 8.920 -8.339 461 2HA GLY 73 1HA GLY 73 9.344 8.824 -6.866 462 H SER 74 H SER 74 7.320 10.637 -6.981 463 HA SER 74 HA SER 74 8.651 13.127 -6.417 464 1HB SER 74 2HB SER 74 8.830 13.337 -8.799 465 2HB SER 74 1HB SER 74 7.196 12.724 -9.045 466 HG SER 74 HG SER 74 6.741 14.787 -9.075 467 H THR 75 H THR 75 7.071 14.683 -5.484 468 HA THR 75 HA THR 75 4.362 13.465 -5.145 469 HB THR 75 HB THR 75 4.659 14.745 -2.859 470 HG1 THR 75 HG1 THR 75 6.761 14.906 -2.269 471 1HG2 THR 75 1HG2 THR 75 4.911 12.674 -1.975 472 2HG2 THR 75 2HG2 THR 75 6.324 12.319 -2.966 473 3HG2 THR 75 3HG2 THR 75 4.707 12.163 -3.649 474 HA PRO 76 HA PRO 76 2.729 17.378 -6.213 475 1HB PRO 76 2HB PRO 76 0.262 17.160 -5.063 476 2HB PRO 76 1HB PRO 76 0.725 16.248 -6.513 477 1HG PRO 76 2HG PRO 76 0.444 15.325 -3.720 478 2HG PRO 76 1HG PRO 76 0.245 14.432 -5.234 479 1HD PRO 76 2HD PRO 76 2.486 14.351 -3.535 480 2HD PRO 76 1HD PRO 76 2.393 13.713 -5.191 481 H GLU 77 H GLU 77 2.069 16.360 -2.857 482 HA GLU 77 HA GLU 77 2.098 19.143 -1.897 483 1HB GLU 77 2HB GLU 77 0.783 16.850 -1.196 484 2HB GLU 77 1HB GLU 77 2.099 16.847 -0.020 485 1HG GLU 77 2HG GLU 77 0.273 19.213 -0.531 486 2HG GLU 77 1HG GLU 77 0.068 18.065 0.792 487 H GLY 78 H GLY 78 4.180 16.340 -2.055 488 1HA GLY 78 2HA GLY 78 6.199 17.636 -0.297 489 2HA GLY 78 1HA GLY 78 6.231 15.950 -0.819 490 H THR 79 H THR 79 5.374 17.348 -3.560 491 HA THR 79 HA THR 79 6.483 18.074 -5.505 492 HB THR 79 HB THR 79 7.682 19.308 -3.221 493 HG1 THR 79 HG1 THR 79 6.617 20.529 -4.653 494 1HG2 THR 79 1HG2 THR 79 9.900 19.878 -4.231 495 2HG2 THR 79 2HG2 THR 79 9.610 18.647 -5.456 496 3HG2 THR 79 3HG2 THR 79 9.766 18.184 -3.764 497 HA PRO 80 HA PRO 80 9.058 14.803 -6.792 498 1HB PRO 80 2HB PRO 80 10.756 16.058 -8.546 499 2HB PRO 80 1HB PRO 80 9.060 15.683 -8.919 500 1HG PRO 80 2HG PRO 80 10.256 18.245 -7.954 501 2HG PRO 80 1HG PRO 80 9.051 17.975 -9.227 502 1HD PRO 80 2HD PRO 80 8.315 18.800 -6.788 503 2HD PRO 80 1HD PRO 80 7.320 17.646 -7.707 504 H VAL 81 H VAL 81 10.468 13.940 -5.331 505 HA VAL 81 HA VAL 81 12.609 15.567 -4.129 506 HB VAL 81 HB VAL 81 11.782 12.664 -3.838 507 1HG1 VAL 81 1HG1 VAL 81 13.071 12.702 -1.775 508 2HG1 VAL 81 2HG1 VAL 81 13.465 14.404 -2.015 509 3HG1 VAL 81 3HG1 VAL 81 14.117 13.186 -3.112 510 1HG2 VAL 81 1HG2 VAL 81 9.934 13.802 -3.022 511 2HG2 VAL 81 2HG2 VAL 81 10.875 15.230 -2.588 512 3HG2 VAL 81 3HG2 VAL 81 10.941 13.789 -1.574 513 H GLY 82 H GLY 82 12.548 12.357 -5.691 514 1HA GLY 82 2HA GLY 82 14.579 12.919 -7.617 515 2HA GLY 82 1HA GLY 82 15.334 12.205 -6.192 516 H SER 83 H SER 83 15.868 10.293 -7.420 517 HA SER 83 HA SER 83 13.821 8.705 -8.738 518 1HB SER 83 2HB SER 83 16.689 8.374 -7.897 519 2HB SER 83 1HB SER 83 15.795 6.995 -8.528 520 HG SER 83 HG SER 83 16.242 7.812 -10.410 521 H VAL 84 H VAL 84 13.140 6.539 -7.976 522 HA VAL 84 HA VAL 84 13.184 6.287 -4.983 523 HB VAL 84 HB VAL 84 10.968 5.760 -6.981 524 1HG1 VAL 84 1HG1 VAL 84 11.137 5.344 -3.990 525 2HG1 VAL 84 2HG1 VAL 84 10.775 4.137 -5.224 526 3HG1 VAL 84 3HG1 VAL 84 9.610 5.413 -4.868 527 1HG2 VAL 84 1HG2 VAL 84 11.177 8.111 -6.621 528 2HG2 VAL 84 2HG2 VAL 84 11.455 7.890 -4.892 529 3HG2 VAL 84 3HG2 VAL 84 9.860 7.580 -5.576 530 H ASP 85 H ASP 85 13.057 4.059 -4.204 531 HA ASP 85 HA ASP 85 13.338 1.878 -6.173 532 1HB ASP 85 2HB ASP 85 15.578 1.299 -5.474 533 2HB ASP 85 1HB ASP 85 15.580 3.015 -5.886 534 H CYS 86 H CYS 86 12.401 0.071 -5.310 535 HA CYS 86 HA CYS 86 11.602 0.087 -2.464 536 1HB CYS 86 2HB CYS 86 10.761 -1.087 -5.011 537 2HB CYS 86 1HB CYS 86 10.726 -2.256 -3.691 538 H ALA 87 H ALA 87 14.382 -0.708 -3.940 539 HA ALA 87 HA ALA 87 15.017 -3.383 -3.341 540 1HB ALA 87 1HB ALA 87 17.322 -1.991 -2.799 541 2HB ALA 87 2HB ALA 87 16.396 -0.801 -3.711 542 3HB ALA 87 3HB ALA 87 16.753 -2.374 -4.424 543 H THR 88 H THR 88 15.332 -0.519 -1.218 544 HA THR 88 HA THR 88 15.632 -2.383 1.113 545 HB THR 88 HB THR 88 17.518 -0.843 0.557 546 HG1 THR 88 HG1 THR 88 17.596 0.106 2.670 547 1HG2 THR 88 1HG2 THR 88 15.405 1.263 1.068 548 2HG2 THR 88 2HG2 THR 88 16.277 0.982 -0.439 549 3HG2 THR 88 3HG2 THR 88 17.134 1.600 0.973 550 H ALA 89 H ALA 89 13.366 -0.494 -0.418 551 HA ALA 89 HA ALA 89 12.092 0.460 2.095 552 1HB ALA 89 1HB ALA 89 10.634 1.288 -0.156 553 2HB ALA 89 2HB ALA 89 12.325 1.342 -0.660 554 3HB ALA 89 3HB ALA 89 11.796 2.256 0.753 555 H ALA 90 H ALA 90 9.440 0.486 1.245 556 HA ALA 90 HA ALA 90 8.835 -2.435 0.921 557 1HB ALA 90 1HB ALA 90 7.204 -2.180 2.562 558 2HB ALA 90 2HB ALA 90 6.989 -0.464 2.218 559 3HB ALA 90 3HB ALA 90 8.406 -1.013 3.112 560 H CYS 91 H CYS 91 7.502 -2.950 -0.783 561 HA CYS 91 HA CYS 91 6.317 -0.680 -2.313 562 1HB CYS 91 2HB CYS 91 7.699 -3.175 -2.917 563 2HB CYS 91 1HB CYS 91 6.186 -3.038 -3.813 564 H ASN 92 H ASN 92 4.181 -0.394 -1.727 565 HA ASN 92 HA ASN 92 2.519 -2.870 -1.368 566 1HB ASN 92 2HB ASN 92 1.171 -1.390 0.167 567 2HB ASN 92 1HB ASN 92 2.819 -1.690 0.721 568 1HD2 ASN 92 1HD2 ASN 92 3.814 0.189 1.443 569 2HD2 ASN 92 2HD2 ASN 92 3.534 1.745 0.826 570 H LEU 93 H LEU 93 0.609 -2.959 -2.511 571 HA LEU 93 HA LEU 93 0.021 -0.663 -4.344 572 1HB LEU 93 2HB LEU 93 0.685 -2.633 -5.536 573 2HB LEU 93 1HB LEU 93 -0.307 -3.668 -4.511 574 HG LEU 93 HG LEU 93 -2.201 -1.963 -5.492 575 1HD1 LEU 93 1HD1 LEU 93 -0.200 -2.425 -7.720 576 2HD1 LEU 93 2HD1 LEU 93 -0.509 -0.870 -6.951 577 3HD1 LEU 93 3HD1 LEU 93 -1.782 -1.661 -7.882 578 1HD2 LEU 93 1HD2 LEU 93 -2.661 -4.252 -5.582 579 2HD2 LEU 93 2HD2 LEU 93 -1.137 -4.627 -6.389 580 3HD2 LEU 93 3HD2 LEU 93 -2.452 -3.873 -7.291 581 H GLY 94 H GLY 94 -2.105 0.149 -4.330 582 1HA GLY 94 2HA GLY 94 -4.210 -1.334 -2.905 583 2HA GLY 94 1HA GLY 94 -3.728 0.189 -2.158 584 H ALA 95 H ALA 95 -6.303 -0.085 -3.009 585 HA ALA 95 HA ALA 95 -6.472 1.997 -5.099 586 1HB ALA 95 1HB ALA 95 -7.769 0.633 -6.593 587 2HB ALA 95 2HB ALA 95 -7.925 -0.646 -5.390 588 3HB ALA 95 3HB ALA 95 -6.367 -0.338 -6.150 589 H GLY 96 H GLY 96 -8.877 2.681 -5.291 590 1HA GLY 96 2HA GLY 96 -11.032 1.928 -3.818 591 2HA GLY 96 1HA GLY 96 -10.037 2.706 -2.589 592 H ASN 97 H ASN 97 -12.367 3.903 -2.916 593 HA ASN 97 HA ASN 97 -11.673 6.444 -4.274 594 1HB ASN 97 2HB ASN 97 -12.840 5.153 -5.964 595 2HB ASN 97 1HB ASN 97 -14.104 4.717 -4.814 596 1HD2 ASN 97 1HD2 ASN 97 -15.954 5.967 -5.047 597 2HD2 ASN 97 2HD2 ASN 97 -15.988 7.573 -5.594 598 H SER 98 H SER 98 -13.463 8.124 -3.707 599 HA SER 98 HA SER 98 -13.779 8.289 -0.870 600 1HB SER 98 2HB SER 98 -14.268 9.825 -3.227 601 2HB SER 98 1HB SER 98 -15.736 9.857 -2.253 602 HG SER 98 HG SER 98 -14.648 11.341 -1.207 603 H GLY 99 H GLY 99 -15.518 6.451 -3.162 604 1HA GLY 99 2HA GLY 99 -18.080 6.519 -1.731 605 2HA GLY 99 1HA GLY 99 -17.698 5.511 -3.127 606 H LEU 100 H LEU 100 -15.394 4.204 -2.176 607 HA LEU 100 HA LEU 100 -16.093 2.962 0.415 608 1HB LEU 100 2HB LEU 100 -16.612 0.829 -0.490 609 2HB LEU 100 1HB LEU 100 -17.449 1.954 -1.556 610 HG LEU 100 HG LEU 100 -14.687 0.844 -2.114 611 1HD1 LEU 100 1HD1 LEU 100 -15.626 -0.917 -3.250 612 2HD1 LEU 100 2HD1 LEU 100 -17.047 0.017 -3.723 613 3HD1 LEU 100 3HD1 LEU 100 -16.939 -0.663 -2.101 614 1HD2 LEU 100 1HD2 LEU 100 -15.963 1.635 -4.468 615 2HD2 LEU 100 2HD2 LEU 100 -14.704 2.533 -3.624 616 3HD2 LEU 100 3HD2 LEU 100 -16.402 2.886 -3.312 617 H ASP 101 H ASP 101 -14.490 0.645 0.092 618 HA ASP 101 HA ASP 101 -11.820 1.585 -0.806 619 1HB ASP 101 2HB ASP 101 -12.355 0.631 2.020 620 2HB ASP 101 1HB ASP 101 -10.863 1.337 1.393 621 H LEU 102 H LEU 102 -11.214 -0.138 -2.069 622 HA LEU 102 HA LEU 102 -12.193 -2.830 -1.680 623 1HB LEU 102 2HB LEU 102 -9.952 -1.611 -3.316 624 2HB LEU 102 1HB LEU 102 -10.485 -3.286 -3.479 625 HG LEU 102 HG LEU 102 -12.303 -0.882 -3.808 626 1HD1 LEU 102 1HD1 LEU 102 -10.530 -2.345 -5.692 627 2HD1 LEU 102 2HD1 LEU 102 -11.115 -0.683 -5.757 628 3HD1 LEU 102 3HD1 LEU 102 -12.164 -2.006 -6.265 629 1HD2 LEU 102 1HD2 LEU 102 -13.674 -2.757 -4.976 630 2HD2 LEU 102 2HD2 LEU 102 -13.640 -2.735 -3.213 631 3HD2 LEU 102 3HD2 LEU 102 -12.622 -3.868 -4.099 632 H GLY 103 H GLY 103 -8.921 -1.427 -1.316 633 1HA GLY 103 2HA GLY 103 -8.022 -2.191 1.062 634 2HA GLY 103 1HA GLY 103 -8.146 -3.779 0.306 635 H HIS 104 H HIS 104 -5.775 -3.883 0.625 636 HA HIS 104 HA HIS 104 -4.354 -2.910 -1.770 637 1HB HIS 104 2HB HIS 104 -2.627 -1.781 -0.306 638 2HB HIS 104 1HB HIS 104 -4.203 -0.989 -0.299 639 HD1 HIS 104 HD1 HIS 104 -1.706 -2.388 1.937 640 HD2 HIS 104 HD2 HIS 104 -5.840 -1.865 2.059 641 HE1 HIS 104 HE1 HIS 104 -2.388 -2.614 4.369 642 H VAL 105 H VAL 105 -2.641 -4.308 -2.262 643 HA VAL 105 HA VAL 105 -2.214 -6.583 -0.372 644 HB VAL 105 HB VAL 105 -1.432 -6.273 -3.284 645 1HG1 VAL 105 1HG1 VAL 105 -2.056 -8.932 -2.629 646 2HG1 VAL 105 2HG1 VAL 105 -1.106 -8.336 -1.268 647 3HG1 VAL 105 3HG1 VAL 105 -0.447 -8.263 -2.902 648 1HG2 VAL 105 1HG2 VAL 105 -3.537 -7.628 -3.684 649 2HG2 VAL 105 2HG2 VAL 105 -3.823 -5.967 -3.163 650 3HG2 VAL 105 3HG2 VAL 105 -3.988 -7.294 -2.012 651 H ALA 106 H ALA 106 -0.331 -6.596 0.785 652 HA ALA 106 HA ALA 106 1.775 -4.650 0.354 653 1HB ALA 106 1HB ALA 106 2.749 -6.642 2.023 654 2HB ALA 106 2HB ALA 106 1.002 -6.774 2.227 655 3HB ALA 106 3HB ALA 106 1.815 -5.242 2.549 656 H LEU 107 H LEU 107 2.893 -4.918 -1.604 657 HA LEU 107 HA LEU 107 3.645 -7.588 -2.574 658 1HB LEU 107 2HB LEU 107 4.503 -4.840 -3.527 659 2HB LEU 107 1HB LEU 107 4.476 -6.333 -4.465 660 HG LEU 107 HG LEU 107 2.118 -4.741 -3.438 661 1HD1 LEU 107 1HD1 LEU 107 3.345 -4.353 -5.714 662 2HD1 LEU 107 2HD1 LEU 107 1.584 -4.446 -5.700 663 3HD1 LEU 107 3HD1 LEU 107 2.537 -5.841 -6.207 664 1HD2 LEU 107 1HD2 LEU 107 0.845 -6.715 -4.618 665 2HD2 LEU 107 2HD2 LEU 107 1.390 -6.918 -2.953 666 3HD2 LEU 107 3HD2 LEU 107 2.316 -7.627 -4.276 667 H THR 108 H THR 108 5.533 -8.611 -2.030 668 HA THR 108 HA THR 108 7.571 -7.130 -0.455 669 HB THR 108 HB THR 108 7.304 -10.066 -1.169 670 HG1 THR 108 HG1 THR 108 6.677 -9.126 1.355 671 1HG2 THR 108 1HG2 THR 108 9.515 -9.685 -0.413 672 2HG2 THR 108 2HG2 THR 108 8.649 -10.232 1.022 673 3HG2 THR 108 3HG2 THR 108 8.986 -8.516 0.798 674 H PHE 109 H PHE 109 9.931 -7.766 -1.003 675 HA PHE 109 HA PHE 109 10.362 -8.228 -3.914 676 1HB PHE 109 2HB PHE 109 10.644 -5.723 -2.407 677 2HB PHE 109 1HB PHE 109 12.089 -6.152 -3.324 678 HD1 PHE 109 HD1 PHE 109 11.608 -7.062 -5.779 679 HD2 PHE 109 HD2 PHE 109 8.950 -4.559 -3.514 680 HE1 PHE 109 HE1 PHE 109 10.500 -6.342 -7.875 681 HE2 PHE 109 HE2 PHE 109 7.841 -3.839 -5.613 682 HZ PHE 109 HZ PHE 109 8.614 -4.734 -7.798 683 H GLY 110 H GLY 110 12.545 -8.919 -4.389 684 1HA GLY 110 2HA GLY 110 14.802 -9.022 -2.854 685 2HA GLY 110 1HA GLY 110 13.827 -10.316 -2.155 Start of MODEL 13 1 1H ALA 1 1H ALA 1 -20.456 -7.672 0.673 2 2H ALA 1 2H ALA 1 -20.034 -6.627 -0.598 3 3H ALA 1 3H ALA 1 -20.351 -6.000 0.947 4 HA ALA 1 HA ALA 1 -18.180 -6.122 1.397 5 1HB ALA 1 1HB ALA 1 -18.881 -9.045 1.006 6 2HB ALA 1 2HB ALA 1 -18.894 -8.139 2.520 7 3HB ALA 1 3HB ALA 1 -17.363 -8.505 1.722 8 HA PRO 2 HA PRO 2 -16.621 -6.134 -2.837 9 1HB PRO 2 2HB PRO 2 -14.588 -4.378 -2.330 10 2HB PRO 2 1HB PRO 2 -16.257 -3.861 -2.623 11 1HG PRO 2 2HG PRO 2 -14.806 -4.186 -0.033 12 2HG PRO 2 1HG PRO 2 -15.926 -2.915 -0.544 13 1HD PRO 2 2HD PRO 2 -16.675 -4.949 1.083 14 2HD PRO 2 1HD PRO 2 -17.794 -4.172 -0.063 15 H ALA 3 H ALA 3 -14.080 -6.364 -3.543 16 HA ALA 3 HA ALA 3 -12.515 -7.910 -1.560 17 1HB ALA 3 1HB ALA 3 -13.240 -9.252 -4.145 18 2HB ALA 3 2HB ALA 3 -14.365 -9.303 -2.788 19 3HB ALA 3 3HB ALA 3 -12.746 -9.982 -2.617 20 H PHE 4 H PHE 4 -10.324 -8.140 -2.157 21 HA PHE 4 HA PHE 4 -9.420 -7.240 -4.838 22 1HB PHE 4 2HB PHE 4 -9.682 -5.212 -3.411 23 2HB PHE 4 1HB PHE 4 -8.596 -5.931 -2.222 24 HD1 PHE 4 HD1 PHE 4 -6.420 -5.094 -2.285 25 HD2 PHE 4 HD2 PHE 4 -8.622 -5.491 -5.953 26 HE1 PHE 4 HE1 PHE 4 -4.474 -4.224 -3.554 27 HE2 PHE 4 HE2 PHE 4 -6.677 -4.621 -7.219 28 HZ PHE 4 HZ PHE 4 -4.602 -3.989 -6.019 29 H SER 5 H SER 5 -8.214 -9.121 -5.283 30 HA SER 5 HA SER 5 -6.034 -9.757 -3.329 31 1HB SER 5 2HB SER 5 -7.414 -12.037 -4.628 32 2HB SER 5 1HB SER 5 -6.798 -11.887 -2.983 33 HG SER 5 HG SER 5 -9.055 -11.895 -2.971 34 H VAL 6 H VAL 6 -4.196 -10.726 -4.271 35 HA VAL 6 HA VAL 6 -4.153 -10.920 -7.263 36 HB VAL 6 HB VAL 6 -3.248 -8.761 -6.219 37 1HG1 VAL 6 1HG1 VAL 6 -1.062 -8.895 -5.130 38 2HG1 VAL 6 2HG1 VAL 6 -1.044 -10.647 -5.325 39 3HG1 VAL 6 3HG1 VAL 6 -2.217 -9.892 -4.245 40 1HG2 VAL 6 1HG2 VAL 6 -2.597 -9.560 -8.475 41 2HG2 VAL 6 2HG2 VAL 6 -1.300 -10.512 -7.756 42 3HG2 VAL 6 3HG2 VAL 6 -1.255 -8.752 -7.667 43 H SER 7 H SER 7 -3.165 -12.829 -7.939 44 HA SER 7 HA SER 7 -2.403 -14.864 -6.078 45 1HB SER 7 2HB SER 7 -2.503 -14.402 -8.967 46 2HB SER 7 1HB SER 7 -1.219 -15.509 -8.496 47 HG SER 7 HG SER 7 -3.481 -16.339 -8.871 48 HA PRO 8 HA PRO 8 2.168 -14.036 -7.070 49 1HB PRO 8 2HB PRO 8 2.843 -12.113 -8.887 50 2HB PRO 8 1HB PRO 8 2.486 -13.791 -9.346 51 1HG PRO 8 2HG PRO 8 0.748 -11.375 -9.509 52 2HG PRO 8 1HG PRO 8 0.917 -12.723 -10.646 53 1HD PRO 8 2HD PRO 8 -1.162 -12.494 -8.890 54 2HD PRO 8 1HD PRO 8 -0.553 -14.049 -9.501 55 H ALA 9 H ALA 9 1.697 -13.028 -4.910 56 HA ALA 9 HA ALA 9 1.679 -10.057 -4.849 57 1HB ALA 9 1HB ALA 9 0.148 -11.503 -3.470 58 2HB ALA 9 2HB ALA 9 1.130 -10.404 -2.501 59 3HB ALA 9 3HB ALA 9 1.568 -12.108 -2.617 60 H SER 10 H SER 10 4.003 -12.329 -5.185 61 HA SER 10 HA SER 10 6.080 -10.615 -3.946 62 1HB SER 10 2HB SER 10 6.918 -12.381 -2.566 63 2HB SER 10 1HB SER 10 5.178 -12.359 -2.295 64 HG SER 10 HG SER 10 5.122 -13.981 -4.041 65 H GLY 11 H GLY 11 8.305 -11.533 -4.590 66 1HA GLY 11 2HA GLY 11 9.755 -12.194 -6.309 67 2HA GLY 11 1HA GLY 11 8.596 -13.483 -6.628 68 H LEU 12 H LEU 12 8.555 -9.917 -6.985 69 HA LEU 12 HA LEU 12 7.347 -10.309 -9.697 70 1HB LEU 12 2HB LEU 12 7.426 -7.872 -7.891 71 2HB LEU 12 1HB LEU 12 6.439 -8.074 -9.339 72 HG LEU 12 HG LEU 12 6.234 -9.752 -6.820 73 1HD1 LEU 12 1HD1 LEU 12 4.396 -7.644 -7.998 74 2HD1 LEU 12 2HD1 LEU 12 5.345 -7.481 -6.521 75 3HD1 LEU 12 3HD1 LEU 12 4.025 -8.648 -6.596 76 1HD2 LEU 12 1HD2 LEU 12 5.698 -11.032 -8.846 77 2HD2 LEU 12 2HD2 LEU 12 4.617 -9.749 -9.391 78 3HD2 LEU 12 3HD2 LEU 12 4.221 -10.683 -7.947 79 H SER 13 H SER 13 8.331 -9.278 -11.494 80 HA SER 13 HA SER 13 11.000 -8.038 -10.967 81 1HB SER 13 2HB SER 13 10.028 -10.171 -12.722 82 2HB SER 13 1HB SER 13 11.009 -8.977 -13.568 83 HG SER 13 HG SER 13 11.706 -10.348 -11.173 84 H ASP 14 H ASP 14 11.633 -6.336 -12.501 85 HA ASP 14 HA ASP 14 9.620 -4.400 -13.038 86 1HB ASP 14 2HB ASP 14 12.042 -3.961 -12.812 87 2HB ASP 14 1HB ASP 14 12.340 -4.841 -14.313 88 H GLY 15 H GLY 15 8.072 -4.419 -14.617 89 1HA GLY 15 2HA GLY 15 7.367 -4.540 -16.919 90 2HA GLY 15 1HA GLY 15 8.719 -5.623 -17.239 91 H GLN 16 H GLN 16 8.186 -7.293 -14.886 92 HA GLN 16 HA GLN 16 6.531 -9.292 -16.018 93 1HB GLN 16 2HB GLN 16 8.119 -9.769 -14.270 94 2HB GLN 16 1HB GLN 16 7.343 -8.621 -13.177 95 1HG GLN 16 2HG GLN 16 5.411 -10.006 -12.935 96 2HG GLN 16 1HG GLN 16 5.894 -11.034 -14.284 97 1HE2 GLN 16 1HE2 GLN 16 5.497 -11.578 -11.242 98 2HE2 GLN 16 2HE2 GLN 16 6.922 -12.389 -10.800 99 H SER 17 H SER 17 4.323 -9.809 -15.710 100 HA SER 17 HA SER 17 2.626 -7.568 -14.710 101 1HB SER 17 2HB SER 17 2.291 -9.886 -16.602 102 2HB SER 17 1HB SER 17 0.885 -9.029 -15.983 103 HG SER 17 HG SER 17 3.092 -7.934 -17.407 104 H VAL 18 H VAL 18 0.859 -8.041 -13.256 105 HA VAL 18 HA VAL 18 1.184 -10.572 -11.704 106 HB VAL 18 HB VAL 18 0.183 -9.071 -9.869 107 1HG1 VAL 18 1HG1 VAL 18 2.408 -9.356 -9.442 108 2HG1 VAL 18 2HG1 VAL 18 2.504 -7.669 -9.944 109 3HG1 VAL 18 3HG1 VAL 18 2.881 -8.952 -11.092 110 1HG2 VAL 18 1HG2 VAL 18 1.195 -6.711 -11.359 111 2HG2 VAL 18 2HG2 VAL 18 -0.186 -6.844 -10.269 112 3HG2 VAL 18 3HG2 VAL 18 -0.330 -7.375 -11.944 113 H SER 19 H SER 19 -0.808 -11.565 -10.964 114 HA SER 19 HA SER 19 -3.134 -10.949 -12.705 115 1HB SER 19 2HB SER 19 -2.842 -13.255 -10.801 116 2HB SER 19 1HB SER 19 -3.749 -13.186 -12.307 117 HG SER 19 HG SER 19 -1.707 -14.324 -12.423 118 H VAL 20 H VAL 20 -4.447 -9.439 -11.770 119 HA VAL 20 HA VAL 20 -4.969 -9.655 -8.832 120 HB VAL 20 HB VAL 20 -5.065 -7.400 -10.845 121 1HG1 VAL 20 1HG1 VAL 20 -5.959 -7.375 -7.944 122 2HG1 VAL 20 2HG1 VAL 20 -7.022 -7.231 -9.344 123 3HG1 VAL 20 3HG1 VAL 20 -5.845 -5.964 -8.996 124 1HG2 VAL 20 1HG2 VAL 20 -3.297 -6.478 -9.551 125 2HG2 VAL 20 2HG2 VAL 20 -2.905 -8.190 -9.697 126 3HG2 VAL 20 3HG2 VAL 20 -3.609 -7.570 -8.203 127 H SER 21 H SER 21 -7.204 -9.339 -8.169 128 HA SER 21 HA SER 21 -9.269 -9.542 -10.296 129 1HB SER 21 2HB SER 21 -8.381 -11.679 -8.416 130 2HB SER 21 1HB SER 21 -10.104 -11.569 -8.750 131 HG SER 21 HG SER 21 -9.756 -12.135 -10.777 132 H VAL 22 H VAL 22 -10.734 -8.005 -9.668 133 HA VAL 22 HA VAL 22 -11.154 -7.539 -6.744 134 HB VAL 22 HB VAL 22 -12.086 -5.857 -9.080 135 1HG1 VAL 22 1HG1 VAL 22 -12.165 -4.094 -7.464 136 2HG1 VAL 22 2HG1 VAL 22 -11.270 -5.046 -6.281 137 3HG1 VAL 22 3HG1 VAL 22 -12.926 -5.489 -6.697 138 1HG2 VAL 22 1HG2 VAL 22 -9.870 -5.648 -9.586 139 2HG2 VAL 22 2HG2 VAL 22 -9.356 -6.308 -8.034 140 3HG2 VAL 22 3HG2 VAL 22 -9.824 -4.611 -8.158 141 H SER 23 H SER 23 -13.014 -8.386 -5.879 142 HA SER 23 HA SER 23 -15.387 -8.709 -7.685 143 1HB SER 23 2HB SER 23 -13.739 -10.705 -6.574 144 2HB SER 23 1HB SER 23 -15.212 -10.725 -5.609 145 HG SER 23 HG SER 23 -16.396 -10.969 -7.504 146 H GLY 24 H GLY 24 -17.441 -8.613 -6.553 147 1HA GLY 24 2HA GLY 24 -18.714 -8.365 -4.462 148 2HA GLY 24 1HA GLY 24 -17.295 -7.595 -3.753 149 H ALA 25 H ALA 25 -16.707 -5.913 -6.040 150 HA ALA 25 HA ALA 25 -18.387 -3.654 -5.413 151 1HB ALA 25 1HB ALA 25 -16.023 -3.557 -6.132 152 2HB ALA 25 2HB ALA 25 -17.043 -2.609 -7.209 153 3HB ALA 25 3HB ALA 25 -16.478 -4.202 -7.707 154 H ALA 26 H ALA 26 -18.694 -2.693 -8.220 155 HA ALA 26 HA ALA 26 -20.247 -4.463 -9.818 156 1HB ALA 26 1HB ALA 26 -22.231 -4.566 -8.749 157 2HB ALA 26 2HB ALA 26 -22.274 -2.812 -8.567 158 3HB ALA 26 3HB ALA 26 -21.437 -3.801 -7.372 159 H ALA 27 H ALA 27 -21.038 -3.467 -11.675 160 HA ALA 27 HA ALA 27 -19.910 -1.225 -12.761 161 1HB ALA 27 1HB ALA 27 -22.846 -1.699 -13.149 162 2HB ALA 27 2HB ALA 27 -21.699 -2.959 -13.596 163 3HB ALA 27 3HB ALA 27 -21.607 -1.372 -14.358 164 H GLY 28 H GLY 28 -20.229 0.979 -12.684 165 1HA GLY 28 2HA GLY 28 -21.553 2.961 -12.164 166 2HA GLY 28 1HA GLY 28 -22.360 2.028 -10.905 167 H GLU 29 H GLU 29 -18.957 1.577 -11.151 168 HA GLU 29 HA GLU 29 -18.377 3.664 -9.127 169 1HB GLU 29 2HB GLU 29 -19.274 1.295 -8.269 170 2HB GLU 29 1HB GLU 29 -17.579 0.863 -8.488 171 1HG GLU 29 2HG GLU 29 -17.863 1.649 -6.216 172 2HG GLU 29 1HG GLU 29 -16.958 2.872 -7.110 173 H THR 30 H THR 30 -16.283 4.391 -9.357 174 HA THR 30 HA THR 30 -14.461 2.805 -11.134 175 HB THR 30 HB THR 30 -14.320 5.769 -10.563 176 HG1 THR 30 HG1 THR 30 -15.766 4.537 -12.661 177 1HG2 THR 30 1HG2 THR 30 -13.368 5.724 -12.906 178 2HG2 THR 30 2HG2 THR 30 -13.425 3.962 -12.821 179 3HG2 THR 30 3HG2 THR 30 -12.400 4.866 -11.706 180 H TYR 31 H TYR 31 -12.313 2.497 -10.399 181 HA TYR 31 HA TYR 31 -11.712 3.501 -7.637 182 1HB TYR 31 2HB TYR 31 -10.998 0.804 -8.822 183 2HB TYR 31 1HB TYR 31 -10.823 1.304 -7.139 184 HD1 TYR 31 HD1 TYR 31 -13.320 0.649 -9.825 185 HD2 TYR 31 HD2 TYR 31 -12.649 1.173 -5.613 186 HE1 TYR 31 HE1 TYR 31 -15.644 -0.095 -9.362 187 HE2 TYR 31 HE2 TYR 31 -14.970 0.430 -5.153 188 HH TYR 31 HH TYR 31 -16.938 -0.100 -6.044 189 H TYR 32 H TYR 32 -9.202 3.022 -7.241 190 HA TYR 32 HA TYR 32 -7.676 3.768 -9.711 191 1HB TYR 32 2HB TYR 32 -7.558 4.945 -6.919 192 2HB TYR 32 1HB TYR 32 -6.430 5.349 -8.213 193 HD1 TYR 32 HD1 TYR 32 -8.849 6.886 -6.596 194 HD2 TYR 32 HD2 TYR 32 -8.189 5.407 -10.573 195 HE1 TYR 32 HE1 TYR 32 -10.461 8.549 -7.481 196 HE2 TYR 32 HE2 TYR 32 -9.801 7.069 -11.459 197 HH TYR 32 HH TYR 32 -10.891 9.704 -9.672 198 H ILE 33 H ILE 33 -6.606 1.762 -9.943 199 HA ILE 33 HA ILE 33 -5.376 0.472 -7.584 200 HB ILE 33 HB ILE 33 -6.561 -0.766 -9.413 201 1HG1 ILE 33 2HG1 ILE 33 -3.595 -1.327 -9.109 202 2HG1 ILE 33 1HG1 ILE 33 -4.889 -1.940 -8.077 203 1HG2 ILE 33 1HG2 ILE 33 -5.882 -0.690 -11.615 204 2HG2 ILE 33 2HG2 ILE 33 -4.200 -0.366 -11.195 205 3HG2 ILE 33 3HG2 ILE 33 -5.391 0.931 -11.123 206 1HD1 ILE 33 1HD1 ILE 33 -5.764 -3.313 -9.793 207 2HD1 ILE 33 2HD1 ILE 33 -4.017 -3.511 -9.929 208 3HD1 ILE 33 3HD1 ILE 33 -4.874 -2.453 -11.049 209 H ALA 34 H ALA 34 -3.555 1.645 -6.923 210 HA ALA 34 HA ALA 34 -1.366 1.933 -8.949 211 1HB ALA 34 1HB ALA 34 -2.506 4.081 -8.739 212 2HB ALA 34 2HB ALA 34 -0.935 4.195 -7.947 213 3HB ALA 34 3HB ALA 34 -2.399 4.001 -6.982 214 H GLN 35 H GLN 35 0.800 2.179 -7.873 215 HA GLN 35 HA GLN 35 0.844 1.034 -5.098 216 1HB GLN 35 2HB GLN 35 2.679 -0.390 -5.829 217 2HB GLN 35 1HB GLN 35 1.334 -0.596 -6.949 218 1HG GLN 35 2HG GLN 35 2.369 0.996 -8.514 219 2HG GLN 35 1HG GLN 35 3.708 1.240 -7.391 220 1HE2 GLN 35 1HE2 GLN 35 5.508 0.062 -8.055 221 2HE2 GLN 35 2HE2 GLN 35 5.462 -1.482 -8.758 222 H CYS 36 H CYS 36 2.556 1.815 -3.758 223 HA CYS 36 HA CYS 36 4.407 3.840 -4.931 224 1HB CYS 36 2HB CYS 36 2.971 4.513 -2.381 225 2HB CYS 36 1HB CYS 36 3.615 5.596 -3.608 226 H ALA 37 H ALA 37 5.991 4.575 -3.130 227 HA ALA 37 HA ALA 37 6.460 2.531 -1.031 228 1HB ALA 37 1HB ALA 37 8.081 3.093 -3.487 229 2HB ALA 37 2HB ALA 37 7.773 1.552 -2.684 230 3HB ALA 37 3HB ALA 37 8.943 2.685 -2.004 231 HA PRO 38 HA PRO 38 7.852 6.054 1.188 232 1HB PRO 38 2HB PRO 38 9.831 5.005 2.762 233 2HB PRO 38 1HB PRO 38 8.104 4.701 3.042 234 1HG PRO 38 2HG PRO 38 10.144 2.960 1.753 235 2HG PRO 38 1HG PRO 38 8.795 2.526 2.815 236 1HD PRO 38 2HD PRO 38 8.745 2.221 0.093 237 2HD PRO 38 1HD PRO 38 7.292 2.448 1.090 238 H VAL 39 H VAL 39 9.958 7.343 1.686 239 HA VAL 39 HA VAL 39 12.114 6.806 -0.288 240 HB VAL 39 HB VAL 39 10.816 9.523 -0.045 241 1HG1 VAL 39 1HG1 VAL 39 13.054 9.303 -1.121 242 2HG1 VAL 39 2HG1 VAL 39 11.815 9.849 -2.252 243 3HG1 VAL 39 3HG1 VAL 39 12.358 8.171 -2.280 244 1HG2 VAL 39 1HG2 VAL 39 10.061 7.262 -1.934 245 2HG2 VAL 39 2HG2 VAL 39 9.494 8.926 -2.079 246 3HG2 VAL 39 3HG2 VAL 39 9.032 7.956 -0.680 247 H GLY 40 H GLY 40 12.689 6.339 2.205 248 1HA GLY 40 2HA GLY 40 13.869 6.999 4.136 249 2HA GLY 40 1HA GLY 40 14.830 7.906 2.967 250 H GLY 41 H GLY 41 11.422 8.460 3.840 251 1HA GLY 41 2HA GLY 41 11.619 10.462 5.733 252 2HA GLY 41 1HA GLY 41 11.988 11.296 4.227 253 H GLN 42 H GLN 42 10.345 10.787 2.423 254 HA GLN 42 HA GLN 42 7.598 10.945 3.614 255 1HB GLN 42 2HB GLN 42 9.123 12.516 1.725 256 2HB GLN 42 1HB GLN 42 7.663 11.914 0.946 257 1HG GLN 42 2HG GLN 42 6.394 12.715 3.023 258 2HG GLN 42 1HG GLN 42 7.871 13.574 3.463 259 1HE2 GLN 42 1HE2 GLN 42 7.517 15.745 2.933 260 2HE2 GLN 42 2HE2 GLN 42 6.889 16.288 1.452 261 H ASP 43 H ASP 43 6.392 10.617 0.936 262 HA ASP 43 HA ASP 43 7.165 7.806 0.281 263 1HB ASP 43 2HB ASP 43 4.682 7.316 0.293 264 2HB ASP 43 1HB ASP 43 5.359 7.683 1.879 265 H ALA 44 H ALA 44 7.416 7.625 -1.900 266 HA ALA 44 HA ALA 44 6.083 9.644 -3.663 267 1HB ALA 44 1HB ALA 44 7.963 8.623 -5.228 268 2HB ALA 44 2HB ALA 44 8.647 8.084 -3.694 269 3HB ALA 44 3HB ALA 44 8.391 9.803 -3.990 270 H CYS 45 H CYS 45 4.888 8.841 -5.494 271 HA CYS 45 HA CYS 45 4.472 5.863 -5.491 272 1HB CYS 45 2HB CYS 45 2.648 7.378 -4.540 273 2HB CYS 45 1HB CYS 45 2.425 7.977 -6.182 274 H ASN 46 H ASN 46 3.506 5.108 -7.646 275 HA ASN 46 HA ASN 46 4.954 6.469 -9.880 276 1HB ASN 46 2HB ASN 46 5.430 4.079 -9.221 277 2HB ASN 46 1HB ASN 46 3.777 3.683 -9.693 278 1HD2 ASN 46 1HD2 ASN 46 6.135 5.890 -11.278 279 2HD2 ASN 46 2HD2 ASN 46 6.122 5.078 -12.767 280 HA PRO 47 HA PRO 47 0.824 7.597 -11.171 281 1HB PRO 47 2HB PRO 47 1.597 9.145 -13.285 282 2HB PRO 47 1HB PRO 47 1.649 9.711 -11.602 283 1HG PRO 47 2HG PRO 47 3.857 8.746 -13.341 284 2HG PRO 47 1HG PRO 47 3.861 10.014 -12.105 285 1HD PRO 47 2HD PRO 47 4.861 7.471 -11.734 286 2HD PRO 47 1HD PRO 47 4.319 8.542 -10.424 287 H ALA 48 H ALA 48 3.379 6.402 -13.312 288 HA ALA 48 HA ALA 48 1.840 5.751 -15.598 289 1HB ALA 48 1HB ALA 48 4.412 5.091 -14.375 290 2HB ALA 48 2HB ALA 48 4.019 5.347 -16.075 291 3HB ALA 48 3HB ALA 48 3.765 3.763 -15.340 292 H THR 49 H THR 49 2.630 3.689 -12.789 293 HA THR 49 HA THR 49 0.915 1.511 -13.679 294 HB THR 49 HB THR 49 1.407 0.878 -11.169 295 HG1 THR 49 HG1 THR 49 3.472 2.088 -10.693 296 1HG2 THR 49 1HG2 THR 49 3.281 -0.228 -11.926 297 2HG2 THR 49 2HG2 THR 49 3.914 1.195 -12.754 298 3HG2 THR 49 3HG2 THR 49 2.602 0.264 -13.478 299 H ALA 50 H ALA 50 0.405 4.472 -11.984 300 HA ALA 50 HA ALA 50 -1.923 3.636 -10.445 301 1HB ALA 50 1HB ALA 50 -0.406 5.543 -9.904 302 2HB ALA 50 2HB ALA 50 -2.090 6.050 -10.030 303 3HB ALA 50 3HB ALA 50 -0.971 6.370 -11.355 304 H THR 51 H THR 51 -3.262 2.612 -12.097 305 HA THR 51 HA THR 51 -4.405 4.495 -14.112 306 HB THR 51 HB THR 51 -3.203 2.456 -14.901 307 HG1 THR 51 HG1 THR 51 -4.950 3.299 -16.101 308 1HG2 THR 51 1HG2 THR 51 -3.562 0.883 -13.171 309 2HG2 THR 51 2HG2 THR 51 -4.523 0.276 -14.521 310 3HG2 THR 51 3HG2 THR 51 -5.308 1.133 -13.195 311 H SER 52 H SER 52 -6.696 4.635 -14.287 312 HA SER 52 HA SER 52 -8.186 3.807 -11.856 313 1HB SER 52 2HB SER 52 -9.913 5.327 -12.948 314 2HB SER 52 1HB SER 52 -8.383 6.105 -12.551 315 HG SER 52 HG SER 52 -8.567 6.652 -14.605 316 H PHE 53 H PHE 53 -9.655 2.116 -11.899 317 HA PHE 53 HA PHE 53 -10.540 1.097 -14.576 318 1HB PHE 53 2HB PHE 53 -10.031 -1.138 -13.854 319 2HB PHE 53 1HB PHE 53 -8.618 -0.153 -13.474 320 HD1 PHE 53 HD1 PHE 53 -8.170 0.573 -11.151 321 HD2 PHE 53 HD2 PHE 53 -11.431 -2.050 -12.115 322 HE1 PHE 53 HE1 PHE 53 -8.395 -0.028 -8.756 323 HE2 PHE 53 HE2 PHE 53 -11.655 -2.652 -9.721 324 HZ PHE 53 HZ PHE 53 -10.138 -1.640 -8.041 325 H THR 54 H THR 54 -12.744 1.030 -14.653 326 HA THR 54 HA THR 54 -14.320 1.246 -12.171 327 HB THR 54 HB THR 54 -15.133 1.147 -15.091 328 HG1 THR 54 HG1 THR 54 -14.180 3.008 -15.104 329 1HG2 THR 54 1HG2 THR 54 -17.259 1.596 -14.425 330 2HG2 THR 54 2HG2 THR 54 -16.726 2.662 -13.125 331 3HG2 THR 54 3HG2 THR 54 -16.736 0.915 -12.885 332 H THR 55 H THR 55 -15.997 -0.285 -11.633 333 HA THR 55 HA THR 55 -15.326 -3.044 -11.888 334 HB THR 55 HB THR 55 -17.829 -3.158 -11.078 335 HG1 THR 55 HG1 THR 55 -18.748 -1.302 -11.328 336 1HG2 THR 55 1HG2 THR 55 -16.959 -1.884 -8.911 337 2HG2 THR 55 2HG2 THR 55 -15.424 -1.993 -9.768 338 3HG2 THR 55 3HG2 THR 55 -16.317 -3.457 -9.375 339 H ASP 56 H ASP 56 -17.836 -4.262 -12.560 340 HA ASP 56 HA ASP 56 -18.383 -3.404 -15.369 341 1HB ASP 56 2HB ASP 56 -17.127 -5.999 -14.458 342 2HB ASP 56 1HB ASP 56 -17.924 -5.849 -16.025 343 H ALA 57 H ALA 57 -19.768 -5.750 -16.126 344 HA ALA 57 HA ALA 57 -22.328 -5.364 -14.949 345 1HB ALA 57 1HB ALA 57 -21.852 -6.312 -17.194 346 2HB ALA 57 2HB ALA 57 -22.885 -7.387 -16.254 347 3HB ALA 57 3HB ALA 57 -21.166 -7.744 -16.426 348 H SER 58 H SER 58 -19.960 -7.968 -14.505 349 HA SER 58 HA SER 58 -21.493 -9.079 -12.256 350 1HB SER 58 2HB SER 58 -18.836 -9.730 -13.568 351 2HB SER 58 1HB SER 58 -19.553 -10.692 -12.277 352 HG SER 58 HG SER 58 -20.574 -10.174 -14.877 353 H GLY 59 H GLY 59 -19.875 -6.338 -12.436 354 1HA GLY 59 2HA GLY 59 -18.611 -5.029 -10.958 355 2HA GLY 59 1HA GLY 59 -19.311 -6.041 -9.692 356 H ALA 60 H ALA 60 -17.457 -7.545 -12.197 357 HA ALA 60 HA ALA 60 -15.305 -8.059 -10.192 358 1HB ALA 60 1HB ALA 60 -16.594 -10.011 -10.911 359 2HB ALA 60 2HB ALA 60 -14.955 -10.124 -11.552 360 3HB ALA 60 3HB ALA 60 -16.279 -9.618 -12.601 361 H ALA 61 H ALA 61 -13.536 -6.833 -10.606 362 HA ALA 61 HA ALA 61 -12.860 -6.186 -13.444 363 1HB ALA 61 1HB ALA 61 -12.837 -4.114 -12.522 364 2HB ALA 61 2HB ALA 61 -11.339 -4.602 -11.729 365 3HB ALA 61 3HB ALA 61 -12.879 -4.770 -10.886 366 H SER 62 H SER 62 -11.851 -8.388 -13.584 367 HA SER 62 HA SER 62 -9.305 -8.655 -12.048 368 1HB SER 62 2HB SER 62 -10.451 -10.651 -11.856 369 2HB SER 62 1HB SER 62 -11.269 -10.448 -13.401 370 HG SER 62 HG SER 62 -8.826 -11.592 -12.796 371 H PHE 63 H PHE 63 -7.325 -8.768 -13.182 372 HA PHE 63 HA PHE 63 -7.179 -9.030 -16.068 373 1HB PHE 63 2HB PHE 63 -6.447 -6.584 -16.369 374 2HB PHE 63 1HB PHE 63 -8.166 -6.863 -16.100 375 HD1 PHE 63 HD1 PHE 63 -5.024 -6.317 -14.118 376 HD2 PHE 63 HD2 PHE 63 -9.240 -5.585 -14.472 377 HE1 PHE 63 HE1 PHE 63 -4.942 -4.871 -12.102 378 HE2 PHE 63 HE2 PHE 63 -9.160 -4.138 -12.456 379 HZ PHE 63 HZ PHE 63 -7.008 -3.781 -11.268 380 H SER 64 H SER 64 -4.898 -8.466 -16.863 381 HA SER 64 HA SER 64 -2.932 -9.355 -14.834 382 1HB SER 64 2HB SER 64 -3.376 -9.923 -17.469 383 2HB SER 64 1HB SER 64 -2.101 -8.716 -17.605 384 HG SER 64 HG SER 64 -2.090 -11.168 -16.181 385 H PHE 65 H PHE 65 -2.655 -7.444 -13.562 386 HA PHE 65 HA PHE 65 -2.097 -4.832 -14.710 387 1HB PHE 65 2HB PHE 65 -3.114 -5.306 -12.474 388 2HB PHE 65 1HB PHE 65 -1.592 -6.018 -11.952 389 HD1 PHE 65 HD1 PHE 65 0.032 -4.680 -10.947 390 HD2 PHE 65 HD2 PHE 65 -2.993 -2.857 -13.392 391 HE1 PHE 65 HE1 PHE 65 0.876 -2.440 -10.319 392 HE2 PHE 65 HE2 PHE 65 -2.146 -0.614 -12.762 393 HZ PHE 65 HZ PHE 65 -0.213 -0.411 -11.227 394 H VAL 66 H VAL 66 0.175 -3.830 -13.679 395 HA VAL 66 HA VAL 66 2.382 -5.771 -14.217 396 HB VAL 66 HB VAL 66 2.457 -2.950 -15.262 397 1HG1 VAL 66 1HG1 VAL 66 4.164 -3.746 -16.620 398 2HG1 VAL 66 2HG1 VAL 66 3.521 -5.388 -16.640 399 3HG1 VAL 66 3HG1 VAL 66 4.364 -4.788 -15.212 400 1HG2 VAL 66 1HG2 VAL 66 1.633 -4.073 -17.474 401 2HG2 VAL 66 2HG2 VAL 66 0.429 -3.606 -16.274 402 3HG2 VAL 66 3HG2 VAL 66 0.935 -5.290 -16.406 403 H VAL 67 H VAL 67 4.412 -5.117 -13.209 404 HA VAL 67 HA VAL 67 4.169 -2.874 -11.237 405 HB VAL 67 HB VAL 67 5.153 -4.393 -9.544 406 1HG1 VAL 67 1HG1 VAL 67 2.757 -4.266 -9.558 407 2HG1 VAL 67 2HG1 VAL 67 3.166 -5.974 -9.406 408 3HG1 VAL 67 3HG1 VAL 67 2.646 -5.328 -10.961 409 1HG2 VAL 67 1HG2 VAL 67 6.270 -6.203 -10.296 410 2HG2 VAL 67 2HG2 VAL 67 5.595 -6.006 -11.914 411 3HG2 VAL 67 3HG2 VAL 67 4.711 -6.925 -10.696 412 H ARG 68 H ARG 68 6.116 -1.780 -10.846 413 HA ARG 68 HA ARG 68 8.439 -2.612 -12.546 414 1HB ARG 68 2HB ARG 68 7.243 0.014 -11.684 415 2HB ARG 68 1HB ARG 68 8.917 -0.065 -12.236 416 1HG ARG 68 2HG ARG 68 6.773 -1.362 -13.888 417 2HG ARG 68 1HG ARG 68 6.984 0.388 -13.971 418 1HD ARG 68 2HD ARG 68 9.591 -0.734 -14.104 419 2HD ARG 68 1HD ARG 68 8.575 -1.651 -15.235 420 HE ARG 68 HE ARG 68 9.197 1.212 -15.424 421 1HH1 ARG 68 1HH2 ARG 68 8.425 -1.388 -17.252 422 2HH1 ARG 68 2HH2 ARG 68 7.213 -0.620 -18.223 423 1HH2 ARG 68 1HH1 ARG 68 7.054 2.223 -16.246 424 2HH2 ARG 68 2HH1 ARG 68 6.438 1.425 -17.653 425 H LYS 69 H LYS 69 10.422 -2.866 -11.531 426 HA LYS 69 HA LYS 69 10.574 -3.208 -8.693 427 1HB LYS 69 2HB LYS 69 11.989 -4.099 -10.710 428 2HB LYS 69 1HB LYS 69 12.930 -2.625 -10.471 429 1HG LYS 69 2HG LYS 69 13.631 -3.261 -8.330 430 2HG LYS 69 1HG LYS 69 12.293 -4.392 -8.123 431 1HD LYS 69 2HD LYS 69 13.296 -6.032 -9.435 432 2HD LYS 69 1HD LYS 69 14.285 -4.867 -10.314 433 1HE LYS 69 2HE LYS 69 15.471 -4.433 -8.056 434 2HE LYS 69 1HE LYS 69 14.707 -5.945 -7.523 435 1HZ LYS 69 1HZ LYS 69 16.919 -6.247 -8.607 436 2HZ LYS 69 2HZ LYS 69 16.235 -5.679 -10.055 437 3HZ LYS 69 3HZ LYS 69 15.660 -7.111 -9.344 438 H SER 70 H SER 70 12.164 -0.716 -10.728 439 HA SER 70 HA SER 70 11.934 1.169 -8.410 440 1HB SER 70 2HB SER 70 14.228 1.958 -9.503 441 2HB SER 70 1HB SER 70 14.187 0.624 -8.354 442 HG SER 70 HG SER 70 15.209 0.453 -10.642 443 H TYR 71 H TYR 71 11.788 3.420 -9.042 444 HA TYR 71 HA TYR 71 11.683 4.228 -11.835 445 1HB TYR 71 2HB TYR 71 9.231 4.627 -11.837 446 2HB TYR 71 1HB TYR 71 9.602 2.917 -11.609 447 HD1 TYR 71 HD1 TYR 71 8.985 6.053 -9.644 448 HD2 TYR 71 HD2 TYR 71 8.680 1.769 -9.789 449 HE1 TYR 71 HE1 TYR 71 7.749 6.067 -7.491 450 HE2 TYR 71 HE2 TYR 71 7.446 1.783 -7.637 451 HH TYR 71 HH TYR 71 6.683 4.845 -5.968 452 H THR 72 H THR 72 11.229 6.568 -11.996 453 HA THR 72 HA THR 72 12.291 8.119 -9.842 454 HB THR 72 HB THR 72 10.449 9.276 -11.903 455 HG1 THR 72 HG1 THR 72 12.266 9.010 -13.379 456 1HG2 THR 72 1HG2 THR 72 11.584 10.928 -10.694 457 2HG2 THR 72 2HG2 THR 72 12.609 10.728 -12.116 458 3HG2 THR 72 3HG2 THR 72 13.060 9.969 -10.589 459 H GLY 73 H GLY 73 11.292 8.833 -7.997 460 1HA GLY 73 2HA GLY 73 8.350 8.498 -7.768 461 2HA GLY 73 1HA GLY 73 9.463 8.737 -6.421 462 H SER 74 H SER 74 7.199 10.306 -6.515 463 HA SER 74 HA SER 74 8.246 12.962 -6.383 464 1HB SER 74 2HB SER 74 8.485 12.847 -8.756 465 2HB SER 74 1HB SER 74 6.913 12.078 -8.951 466 HG SER 74 HG SER 74 6.222 14.046 -9.209 467 H THR 75 H THR 75 6.678 14.379 -5.510 468 HA THR 75 HA THR 75 4.341 13.216 -4.307 469 HB THR 75 HB THR 75 3.899 15.680 -3.808 470 HG1 THR 75 HG1 THR 75 4.954 17.071 -4.941 471 1HG2 THR 75 1HG2 THR 75 5.157 15.123 -2.033 472 2HG2 THR 75 2HG2 THR 75 6.578 15.655 -2.931 473 3HG2 THR 75 3HG2 THR 75 6.074 13.967 -2.998 474 HA PRO 76 HA PRO 76 1.442 13.778 -7.563 475 1HB PRO 76 2HB PRO 76 -0.874 13.822 -6.124 476 2HB PRO 76 1HB PRO 76 0.077 12.346 -6.379 477 1HG PRO 76 2HG PRO 76 -0.148 14.050 -3.971 478 2HG PRO 76 1HG PRO 76 0.150 12.310 -4.105 479 1HD PRO 76 2HD PRO 76 2.081 14.270 -3.585 480 2HD PRO 76 1HD PRO 76 2.400 12.599 -4.097 481 H GLU 77 H GLU 77 2.414 16.253 -5.731 482 HA GLU 77 HA GLU 77 0.243 18.103 -6.601 483 1HB GLU 77 2HB GLU 77 1.304 17.616 -4.111 484 2HB GLU 77 1HB GLU 77 2.222 19.029 -4.634 485 1HG GLU 77 2HG GLU 77 -0.795 18.873 -4.809 486 2HG GLU 77 1HG GLU 77 0.054 19.545 -3.416 487 H GLY 78 H GLY 78 3.658 18.577 -5.730 488 1HA GLY 78 2HA GLY 78 4.633 19.117 -8.348 489 2HA GLY 78 1HA GLY 78 4.113 20.644 -7.629 490 H THR 79 H THR 79 5.835 17.746 -6.427 491 HA THR 79 HA THR 79 8.187 19.396 -5.749 492 HB THR 79 HB THR 79 6.383 18.076 -3.697 493 HG1 THR 79 HG1 THR 79 6.431 20.310 -2.919 494 1HG2 THR 79 1HG2 THR 79 9.197 18.464 -3.634 495 2HG2 THR 79 2HG2 THR 79 8.147 17.948 -2.314 496 3HG2 THR 79 3HG2 THR 79 8.481 19.663 -2.557 497 HA PRO 80 HA PRO 80 9.237 15.093 -6.849 498 1HB PRO 80 2HB PRO 80 11.565 15.744 -8.128 499 2HB PRO 80 1HB PRO 80 9.978 15.800 -8.921 500 1HG PRO 80 2HG PRO 80 11.609 18.024 -7.798 501 2HG PRO 80 1HG PRO 80 10.606 17.984 -9.258 502 1HD PRO 80 2HD PRO 80 9.815 19.141 -6.907 503 2HD PRO 80 1HD PRO 80 8.687 18.479 -8.110 504 H VAL 81 H VAL 81 10.554 13.776 -5.574 505 HA VAL 81 HA VAL 81 12.404 15.169 -3.684 506 HB VAL 81 HB VAL 81 10.898 12.544 -3.595 507 1HG1 VAL 81 1HG1 VAL 81 13.318 12.964 -2.405 508 2HG1 VAL 81 2HG1 VAL 81 12.067 11.916 -1.738 509 3HG1 VAL 81 3HG1 VAL 81 12.229 13.574 -1.161 510 1HG2 VAL 81 1HG2 VAL 81 10.643 15.190 -2.137 511 2HG2 VAL 81 2HG2 VAL 81 9.825 13.719 -1.612 512 3HG2 VAL 81 3HG2 VAL 81 9.449 14.424 -3.185 513 H GLY 82 H GLY 82 12.172 12.488 -5.986 514 1HA GLY 82 2HA GLY 82 14.645 12.407 -7.039 515 2HA GLY 82 1HA GLY 82 14.964 11.711 -5.451 516 H SER 83 H SER 83 15.592 9.879 -7.038 517 HA SER 83 HA SER 83 13.527 8.373 -8.371 518 1HB SER 83 2HB SER 83 15.303 6.878 -8.792 519 2HB SER 83 1HB SER 83 16.119 8.426 -8.604 520 HG SER 83 HG SER 83 16.936 7.772 -6.750 521 H VAL 84 H VAL 84 12.941 6.098 -7.688 522 HA VAL 84 HA VAL 84 12.870 5.729 -4.719 523 HB VAL 84 HB VAL 84 10.585 5.738 -6.712 524 1HG1 VAL 84 1HG1 VAL 84 10.811 4.513 -3.974 525 2HG1 VAL 84 2HG1 VAL 84 10.028 3.870 -5.418 526 3HG1 VAL 84 3HG1 VAL 84 9.269 5.179 -4.511 527 1HG2 VAL 84 1HG2 VAL 84 11.219 7.918 -5.750 528 2HG2 VAL 84 2HG2 VAL 84 11.098 7.245 -4.124 529 3HG2 VAL 84 3HG2 VAL 84 9.653 7.401 -5.124 530 H ASP 85 H ASP 85 13.025 3.530 -4.119 531 HA ASP 85 HA ASP 85 12.922 1.515 -6.332 532 1HB ASP 85 2HB ASP 85 15.146 2.364 -4.568 533 2HB ASP 85 1HB ASP 85 14.977 0.622 -4.797 534 H CYS 86 H CYS 86 11.944 -0.401 -5.734 535 HA CYS 86 HA CYS 86 10.834 -0.569 -2.989 536 1HB CYS 86 2HB CYS 86 10.391 -1.994 -5.623 537 2HB CYS 86 1HB CYS 86 9.599 -2.509 -4.135 538 H ALA 87 H ALA 87 13.743 -1.098 -3.650 539 HA ALA 87 HA ALA 87 14.004 -4.012 -3.154 540 1HB ALA 87 1HB ALA 87 16.462 -2.495 -3.157 541 2HB ALA 87 2HB ALA 87 15.444 -1.979 -4.500 542 3HB ALA 87 3HB ALA 87 15.898 -3.675 -4.339 543 H THR 88 H THR 88 15.141 -0.945 -1.683 544 HA THR 88 HA THR 88 15.704 -2.394 0.857 545 HB THR 88 HB THR 88 17.434 -0.940 -0.059 546 HG1 THR 88 HG1 THR 88 17.732 -0.474 1.953 547 1HG2 THR 88 1HG2 THR 88 15.109 0.855 -0.440 548 2HG2 THR 88 2HG2 THR 88 16.569 0.679 -1.413 549 3HG2 THR 88 3HG2 THR 88 16.604 1.641 0.065 550 H ALA 89 H ALA 89 13.400 -0.247 -0.601 551 HA ALA 89 HA ALA 89 12.284 0.577 2.020 552 1HB ALA 89 1HB ALA 89 12.185 1.442 -0.816 553 2HB ALA 89 2HB ALA 89 12.219 2.419 0.652 554 3HB ALA 89 3HB ALA 89 10.705 1.692 0.110 555 H ALA 90 H ALA 90 9.572 0.741 1.265 556 HA ALA 90 HA ALA 90 8.874 -2.164 0.992 557 1HB ALA 90 1HB ALA 90 8.249 -0.104 2.886 558 2HB ALA 90 2HB ALA 90 7.785 -1.804 2.927 559 3HB ALA 90 3HB ALA 90 6.758 -0.629 2.104 560 H CYS 91 H CYS 91 7.605 -2.712 -0.735 561 HA CYS 91 HA CYS 91 6.414 -0.496 -2.343 562 1HB CYS 91 2HB CYS 91 8.134 -2.507 -3.015 563 2HB CYS 91 1HB CYS 91 6.590 -3.256 -3.407 564 H ASN 92 H ASN 92 4.218 -0.269 -1.956 565 HA ASN 92 HA ASN 92 2.628 -2.784 -1.563 566 1HB ASN 92 2HB ASN 92 2.339 -0.116 -0.149 567 2HB ASN 92 1HB ASN 92 1.347 -1.546 0.138 568 1HD2 ASN 92 1HD2 ASN 92 2.771 -0.538 2.317 569 2HD2 ASN 92 2HD2 ASN 92 4.068 -1.568 2.693 570 H LEU 93 H LEU 93 0.780 -2.910 -2.790 571 HA LEU 93 HA LEU 93 0.069 -0.555 -4.497 572 1HB LEU 93 2HB LEU 93 0.682 -2.447 -5.803 573 2HB LEU 93 1HB LEU 93 -0.156 -3.564 -4.728 574 HG LEU 93 HG LEU 93 -2.278 -2.109 -5.493 575 1HD1 LEU 93 1HD1 LEU 93 -1.444 -0.549 -6.975 576 2HD1 LEU 93 2HD1 LEU 93 -1.781 -1.866 -8.095 577 3HD1 LEU 93 3HD1 LEU 93 -0.138 -1.603 -7.512 578 1HD2 LEU 93 1HD2 LEU 93 -2.115 -3.811 -7.631 579 2HD2 LEU 93 2HD2 LEU 93 -2.608 -4.303 -6.011 580 3HD2 LEU 93 3HD2 LEU 93 -0.938 -4.526 -6.530 581 H GLY 94 H GLY 94 -1.733 0.534 -3.763 582 1HA GLY 94 2HA GLY 94 -3.793 -1.047 -2.272 583 2HA GLY 94 1HA GLY 94 -3.513 0.682 -2.037 584 H ALA 95 H ALA 95 -6.072 -0.362 -2.669 585 HA ALA 95 HA ALA 95 -6.570 1.052 -5.237 586 1HB ALA 95 1HB ALA 95 -6.592 -0.975 -6.269 587 2HB ALA 95 2HB ALA 95 -8.146 -1.205 -5.467 588 3HB ALA 95 3HB ALA 95 -6.673 -1.845 -4.737 589 H GLY 96 H GLY 96 -9.044 1.233 -5.565 590 1HA GLY 96 2HA GLY 96 -11.245 0.928 -4.302 591 2HA GLY 96 1HA GLY 96 -10.366 1.523 -2.894 592 H ASN 97 H ASN 97 -12.627 2.893 -3.675 593 HA ASN 97 HA ASN 97 -11.540 5.339 -5.007 594 1HB ASN 97 2HB ASN 97 -13.855 5.698 -5.756 595 2HB ASN 97 1HB ASN 97 -13.301 4.092 -6.235 596 1HD2 ASN 97 1HD2 ASN 97 -15.504 5.831 -4.087 597 2HD2 ASN 97 2HD2 ASN 97 -16.334 4.458 -3.532 598 H SER 98 H SER 98 -13.951 6.842 -4.239 599 HA SER 98 HA SER 98 -13.196 7.427 -1.428 600 1HB SER 98 2HB SER 98 -15.103 9.256 -2.504 601 2HB SER 98 1HB SER 98 -13.394 9.540 -2.196 602 HG SER 98 HG SER 98 -13.792 9.841 -4.377 603 H GLY 99 H GLY 99 -14.384 5.682 -0.396 604 1HA GLY 99 2HA GLY 99 -16.638 5.916 0.902 605 2HA GLY 99 1HA GLY 99 -17.351 5.793 -0.707 606 H LEU 100 H LEU 100 -15.046 3.912 -1.423 607 HA LEU 100 HA LEU 100 -16.328 1.451 -0.325 608 1HB LEU 100 2HB LEU 100 -16.284 1.869 -2.780 609 2HB LEU 100 1HB LEU 100 -14.526 1.936 -2.720 610 HG LEU 100 HG LEU 100 -15.702 -0.306 -3.408 611 1HD1 LEU 100 1HD1 LEU 100 -13.737 -0.880 -1.283 612 2HD1 LEU 100 2HD1 LEU 100 -13.228 0.331 -2.460 613 3HD1 LEU 100 3HD1 LEU 100 -13.695 -1.282 -3.000 614 1HD2 LEU 100 1HD2 LEU 100 -15.612 -0.880 -0.469 615 2HD2 LEU 100 2HD2 LEU 100 -16.569 -1.651 -1.734 616 3HD2 LEU 100 3HD2 LEU 100 -17.042 -0.072 -1.114 617 H ASP 101 H ASP 101 -13.052 1.981 -1.593 618 HA ASP 101 HA ASP 101 -10.932 1.636 -0.587 619 1HB ASP 101 2HB ASP 101 -12.344 2.875 1.274 620 2HB ASP 101 1HB ASP 101 -12.304 1.295 2.060 621 H LEU 102 H LEU 102 -9.742 -0.250 -0.397 622 HA LEU 102 HA LEU 102 -11.172 -2.725 0.497 623 1HB LEU 102 2HB LEU 102 -9.430 -2.249 -1.935 624 2HB LEU 102 1HB LEU 102 -9.957 -3.848 -1.407 625 HG LEU 102 HG LEU 102 -12.106 -1.836 -1.620 626 1HD1 LEU 102 1HD1 LEU 102 -10.299 -2.473 -3.882 627 2HD1 LEU 102 2HD1 LEU 102 -11.359 -1.083 -3.644 628 3HD1 LEU 102 3HD1 LEU 102 -12.024 -2.612 -4.223 629 1HD2 LEU 102 1HD2 LEU 102 -13.080 -3.869 -1.363 630 2HD2 LEU 102 2HD2 LEU 102 -11.641 -4.728 -1.909 631 3HD2 LEU 102 3HD2 LEU 102 -12.774 -4.065 -3.088 632 H GLY 103 H GLY 103 -8.029 -1.199 -0.160 633 1HA GLY 103 2HA GLY 103 -6.578 -1.410 2.015 634 2HA GLY 103 1HA GLY 103 -6.748 -3.132 1.689 635 H HIS 104 H HIS 104 -4.512 -3.416 1.300 636 HA HIS 104 HA HIS 104 -3.676 -2.711 -1.436 637 1HB HIS 104 2HB HIS 104 -1.554 -1.651 -0.457 638 2HB HIS 104 1HB HIS 104 -3.036 -0.704 -0.309 639 HD1 HIS 104 HD1 HIS 104 -0.786 -2.979 1.723 640 HD2 HIS 104 HD2 HIS 104 -3.857 -0.225 2.320 641 HE1 HIS 104 HE1 HIS 104 -0.947 -2.617 4.226 642 H VAL 105 H VAL 105 -2.397 -4.335 -2.218 643 HA VAL 105 HA VAL 105 -1.656 -6.559 -0.426 644 HB VAL 105 HB VAL 105 -1.020 -6.274 -3.368 645 1HG1 VAL 105 1HG1 VAL 105 -0.497 -8.444 -3.115 646 2HG1 VAL 105 2HG1 VAL 105 -2.162 -8.776 -2.637 647 3HG1 VAL 105 3HG1 VAL 105 -0.956 -8.371 -1.414 648 1HG2 VAL 105 1HG2 VAL 105 -3.513 -7.531 -3.192 649 2HG2 VAL 105 2HG2 VAL 105 -3.213 -5.899 -3.791 650 3HG2 VAL 105 3HG2 VAL 105 -3.649 -6.151 -2.100 651 H ALA 106 H ALA 106 0.622 -7.407 -0.457 652 HA ALA 106 HA ALA 106 2.585 -5.158 -0.545 653 1HB ALA 106 1HB ALA 106 2.187 -7.675 0.985 654 2HB ALA 106 2HB ALA 106 2.797 -6.114 1.534 655 3HB ALA 106 3HB ALA 106 3.860 -7.220 0.665 656 H LEU 107 H LEU 107 3.996 -5.098 -2.242 657 HA LEU 107 HA LEU 107 4.292 -7.516 -3.957 658 1HB LEU 107 2HB LEU 107 5.079 -4.615 -4.354 659 2HB LEU 107 1HB LEU 107 5.115 -5.872 -5.591 660 HG LEU 107 HG LEU 107 2.641 -4.922 -4.118 661 1HD1 LEU 107 1HD1 LEU 107 3.879 -3.522 -6.023 662 2HD1 LEU 107 2HD1 LEU 107 2.120 -3.645 -5.977 663 3HD1 LEU 107 3HD1 LEU 107 3.047 -4.670 -7.071 664 1HD2 LEU 107 1HD2 LEU 107 3.233 -7.343 -5.536 665 2HD2 LEU 107 2HD2 LEU 107 2.086 -6.405 -6.489 666 3HD2 LEU 107 3HD2 LEU 107 1.700 -6.843 -4.826 667 H THR 108 H THR 108 5.823 -8.602 -2.476 668 HA THR 108 HA THR 108 8.287 -7.374 -1.629 669 HB THR 108 HB THR 108 7.825 -10.314 -2.130 670 HG1 THR 108 HG1 THR 108 6.230 -10.269 -0.788 671 1HG2 THR 108 1HG2 THR 108 10.012 -9.413 -1.218 672 2HG2 THR 108 2HG2 THR 108 9.205 -10.594 -0.187 673 3HG2 THR 108 3HG2 THR 108 9.110 -8.876 0.200 674 H PHE 109 H PHE 109 10.471 -8.039 -2.471 675 HA PHE 109 HA PHE 109 10.447 -8.783 -5.374 676 1HB PHE 109 2HB PHE 109 11.346 -6.312 -3.998 677 2HB PHE 109 1HB PHE 109 12.439 -6.936 -5.233 678 HD1 PHE 109 HD1 PHE 109 9.072 -5.580 -4.574 679 HD2 PHE 109 HD2 PHE 109 11.777 -7.034 -7.578 680 HE1 PHE 109 HE1 PHE 109 7.604 -4.653 -6.346 681 HE2 PHE 109 HE2 PHE 109 10.308 -6.107 -9.349 682 HZ PHE 109 HZ PHE 109 8.222 -4.917 -8.733 683 H GLY 110 H GLY 110 11.139 -10.892 -4.254 684 1HA GLY 110 2HA GLY 110 12.858 -12.426 -3.794 685 2HA GLY 110 1HA GLY 110 13.972 -11.242 -4.480 Start of MODEL 14 1 1H ALA 1 1H ALA 1 -19.586 -6.878 1.704 2 2H ALA 1 2H ALA 1 -19.777 -7.233 0.054 3 3H ALA 1 3H ALA 1 -18.658 -6.056 0.546 4 HA ALA 1 HA ALA 1 -17.425 -7.849 1.765 5 1HB ALA 1 1HB ALA 1 -19.120 -9.452 2.061 6 2HB ALA 1 2HB ALA 1 -18.158 -10.150 0.760 7 3HB ALA 1 3HB ALA 1 -19.666 -9.314 0.389 8 HA PRO 2 HA PRO 2 -15.960 -7.064 -2.548 9 1HB PRO 2 2HB PRO 2 -13.788 -5.562 -1.854 10 2HB PRO 2 1HB PRO 2 -15.406 -4.870 -2.100 11 1HG PRO 2 2HG PRO 2 -13.983 -5.501 0.435 12 2HG PRO 2 1HG PRO 2 -15.083 -4.168 0.059 13 1HD PRO 2 2HD PRO 2 -15.795 -6.419 1.480 14 2HD PRO 2 1HD PRO 2 -16.934 -5.379 0.599 15 H ALA 3 H ALA 3 -13.418 -7.358 -3.213 16 HA ALA 3 HA ALA 3 -11.937 -9.203 -1.468 17 1HB ALA 3 1HB ALA 3 -13.827 -10.528 -2.510 18 2HB ALA 3 2HB ALA 3 -12.217 -11.145 -2.884 19 3HB ALA 3 3HB ALA 3 -13.098 -10.198 -4.081 20 H PHE 4 H PHE 4 -10.434 -7.350 -1.989 21 HA PHE 4 HA PHE 4 -9.419 -7.264 -4.768 22 1HB PHE 4 2HB PHE 4 -9.768 -5.198 -3.517 23 2HB PHE 4 1HB PHE 4 -8.743 -5.788 -2.208 24 HD1 PHE 4 HD1 PHE 4 -8.388 -5.829 -5.941 25 HD2 PHE 4 HD2 PHE 4 -6.741 -4.600 -2.170 26 HE1 PHE 4 HE1 PHE 4 -6.386 -4.945 -7.105 27 HE2 PHE 4 HE2 PHE 4 -4.739 -3.714 -3.334 28 HZ PHE 4 HZ PHE 4 -4.561 -3.887 -5.802 29 H SER 5 H SER 5 -7.916 -8.835 -5.307 30 HA SER 5 HA SER 5 -5.655 -9.282 -3.431 31 1HB SER 5 2HB SER 5 -6.058 -11.766 -3.628 32 2HB SER 5 1HB SER 5 -7.304 -10.904 -2.729 33 HG SER 5 HG SER 5 -8.475 -10.815 -4.754 34 H VAL 6 H VAL 6 -3.802 -10.174 -4.475 35 HA VAL 6 HA VAL 6 -3.942 -10.243 -7.473 36 HB VAL 6 HB VAL 6 -2.779 -8.294 -6.335 37 1HG1 VAL 6 1HG1 VAL 6 -1.897 -9.865 -4.486 38 2HG1 VAL 6 2HG1 VAL 6 -0.781 -8.647 -5.109 39 3HG1 VAL 6 3HG1 VAL 6 -0.650 -10.321 -5.648 40 1HG2 VAL 6 1HG2 VAL 6 -0.790 -8.412 -7.779 41 2HG2 VAL 6 2HG2 VAL 6 -2.203 -9.030 -8.636 42 3HG2 VAL 6 3HG2 VAL 6 -1.017 -10.150 -7.967 43 H SER 7 H SER 7 -3.465 -12.275 -8.264 44 HA SER 7 HA SER 7 -2.828 -14.544 -6.789 45 1HB SER 7 2HB SER 7 -2.495 -13.632 -9.592 46 2HB SER 7 1HB SER 7 -1.589 -15.073 -9.139 47 HG SER 7 HG SER 7 -4.279 -14.705 -9.491 48 HA PRO 8 HA PRO 8 1.840 -14.014 -7.227 49 1HB PRO 8 2HB PRO 8 2.889 -12.022 -8.768 50 2HB PRO 8 1HB PRO 8 2.434 -13.608 -9.422 51 1HG PRO 8 2HG PRO 8 1.000 -11.013 -9.587 52 2HG PRO 8 1HG PRO 8 1.107 -12.329 -10.763 53 1HD PRO 8 2HD PRO 8 -1.069 -11.871 -9.134 54 2HD PRO 8 1HD PRO 8 -0.668 -13.425 -9.893 55 H ALA 9 H ALA 9 1.078 -13.126 -5.064 56 HA ALA 9 HA ALA 9 1.516 -10.200 -4.725 57 1HB ALA 9 1HB ALA 9 0.644 -12.143 -2.599 58 2HB ALA 9 2HB ALA 9 -0.483 -11.668 -3.871 59 3HB ALA 9 3HB ALA 9 0.199 -10.448 -2.795 60 H SER 10 H SER 10 3.448 -12.820 -4.797 61 HA SER 10 HA SER 10 5.438 -11.590 -3.003 62 1HB SER 10 2HB SER 10 4.245 -14.333 -2.524 63 2HB SER 10 1HB SER 10 5.630 -13.679 -1.655 64 HG SER 10 HG SER 10 2.940 -13.124 -1.421 65 H GLY 11 H GLY 11 7.571 -12.314 -3.510 66 1HA GLY 11 2HA GLY 11 9.258 -13.346 -4.784 67 2HA GLY 11 1HA GLY 11 8.111 -14.646 -5.117 68 H LEU 12 H LEU 12 8.663 -11.231 -6.008 69 HA LEU 12 HA LEU 12 7.785 -11.943 -8.788 70 1HB LEU 12 2HB LEU 12 7.595 -9.213 -7.504 71 2HB LEU 12 1HB LEU 12 6.693 -9.835 -8.885 72 HG LEU 12 HG LEU 12 6.430 -10.958 -6.081 73 1HD1 LEU 12 1HD1 LEU 12 5.699 -8.480 -6.531 74 2HD1 LEU 12 2HD1 LEU 12 4.590 -9.571 -5.700 75 3HD1 LEU 12 3HD1 LEU 12 4.368 -9.227 -7.415 76 1HD2 LEU 12 1HD2 LEU 12 5.824 -12.342 -8.167 77 2HD2 LEU 12 2HD2 LEU 12 4.523 -11.178 -8.418 78 3HD2 LEU 12 3HD2 LEU 12 4.563 -12.153 -6.949 79 H SER 13 H SER 13 8.719 -10.237 -10.393 80 HA SER 13 HA SER 13 11.458 -9.377 -9.592 81 1HB SER 13 2HB SER 13 10.563 -11.243 -11.756 82 2HB SER 13 1HB SER 13 11.997 -10.257 -12.029 83 HG SER 13 HG SER 13 11.601 -11.815 -9.691 84 H ASP 14 H ASP 14 12.308 -7.648 -10.988 85 HA ASP 14 HA ASP 14 10.412 -5.650 -11.712 86 1HB ASP 14 2HB ASP 14 12.904 -5.481 -11.154 87 2HB ASP 14 1HB ASP 14 13.208 -5.982 -12.819 88 H GLY 15 H GLY 15 8.919 -6.015 -13.330 89 1HA GLY 15 2HA GLY 15 8.660 -5.841 -15.800 90 2HA GLY 15 1HA GLY 15 9.944 -7.036 -15.929 91 H GLN 16 H GLN 16 9.054 -8.800 -13.862 92 HA GLN 16 HA GLN 16 7.407 -10.600 -15.191 93 1HB GLN 16 2HB GLN 16 8.682 -10.737 -12.945 94 2HB GLN 16 1HB GLN 16 7.204 -10.091 -12.223 95 1HG GLN 16 2HG GLN 16 6.519 -12.215 -14.039 96 2HG GLN 16 1HG GLN 16 7.747 -12.788 -12.913 97 1HE2 GLN 16 1HE2 GLN 16 6.101 -14.125 -11.812 98 2HE2 GLN 16 2HE2 GLN 16 4.964 -13.409 -10.776 99 H SER 17 H SER 17 5.185 -10.836 -15.483 100 HA SER 17 HA SER 17 3.528 -8.455 -14.924 101 1HB SER 17 2HB SER 17 3.632 -10.683 -16.785 102 2HB SER 17 1HB SER 17 2.007 -10.464 -16.144 103 HG SER 17 HG SER 17 1.951 -8.941 -17.611 104 H VAL 18 H VAL 18 1.539 -8.612 -13.735 105 HA VAL 18 HA VAL 18 1.330 -11.001 -11.974 106 HB VAL 18 HB VAL 18 0.537 -9.239 -10.272 107 1HG1 VAL 18 1HG1 VAL 18 2.740 -10.333 -10.158 108 2HG1 VAL 18 2HG1 VAL 18 2.863 -8.640 -9.697 109 3HG1 VAL 18 3HG1 VAL 18 3.393 -9.155 -11.296 110 1HG2 VAL 18 1HG2 VAL 18 0.311 -7.510 -12.204 111 2HG2 VAL 18 2HG2 VAL 18 2.060 -7.335 -12.061 112 3HG2 VAL 18 3HG2 VAL 18 1.020 -6.955 -10.688 113 H SER 19 H SER 19 -0.940 -11.199 -11.049 114 HA SER 19 HA SER 19 -2.937 -10.197 -13.044 115 1HB SER 19 2HB SER 19 -2.676 -12.544 -13.281 116 2HB SER 19 1HB SER 19 -2.645 -12.792 -11.541 117 HG SER 19 HG SER 19 -4.831 -11.924 -13.134 118 H VAL 20 H VAL 20 -4.545 -9.011 -12.208 119 HA VAL 20 HA VAL 20 -4.926 -9.034 -9.237 120 HB VAL 20 HB VAL 20 -4.981 -6.882 -11.345 121 1HG1 VAL 20 1HG1 VAL 20 -7.046 -6.563 -10.093 122 2HG1 VAL 20 2HG1 VAL 20 -5.874 -5.357 -9.564 123 3HG1 VAL 20 3HG1 VAL 20 -6.193 -6.775 -8.564 124 1HG2 VAL 20 1HG2 VAL 20 -3.673 -7.145 -8.622 125 2HG2 VAL 20 2HG2 VAL 20 -3.470 -5.787 -9.728 126 3HG2 VAL 20 3HG2 VAL 20 -2.869 -7.383 -10.174 127 H SER 21 H SER 21 -7.050 -9.137 -8.487 128 HA SER 21 HA SER 21 -9.272 -9.097 -10.450 129 1HB SER 21 2HB SER 21 -8.420 -11.381 -10.518 130 2HB SER 21 1HB SER 21 -8.471 -11.488 -8.762 131 HG SER 21 HG SER 21 -10.323 -12.320 -10.176 132 H VAL 22 H VAL 22 -11.090 -8.271 -9.501 133 HA VAL 22 HA VAL 22 -11.178 -8.139 -6.502 134 HB VAL 22 HB VAL 22 -12.234 -6.175 -8.555 135 1HG1 VAL 22 1HG1 VAL 22 -12.005 -6.201 -5.550 136 2HG1 VAL 22 2HG1 VAL 22 -13.421 -5.854 -6.543 137 3HG1 VAL 22 3HG1 VAL 22 -12.104 -4.686 -6.447 138 1HG2 VAL 22 1HG2 VAL 22 -10.168 -5.282 -8.700 139 2HG2 VAL 22 2HG2 VAL 22 -9.556 -6.696 -7.841 140 3HG2 VAL 22 3HG2 VAL 22 -10.010 -5.245 -6.944 141 H SER 23 H SER 23 -12.789 -9.583 -5.875 142 HA SER 23 HA SER 23 -15.348 -9.558 -7.460 143 1HB SER 23 2HB SER 23 -13.848 -11.810 -6.123 144 2HB SER 23 1HB SER 23 -15.492 -11.976 -6.730 145 HG SER 23 HG SER 23 -14.758 -11.944 -8.721 146 H GLY 24 H GLY 24 -16.845 -8.550 -6.194 147 1HA GLY 24 2HA GLY 24 -18.070 -9.476 -3.959 148 2HA GLY 24 1HA GLY 24 -16.667 -8.666 -3.259 149 H ALA 25 H ALA 25 -16.519 -6.525 -5.171 150 HA ALA 25 HA ALA 25 -18.411 -4.682 -4.005 151 1HB ALA 25 1HB ALA 25 -16.937 -4.201 -6.576 152 2HB ALA 25 2HB ALA 25 -16.015 -4.432 -5.090 153 3HB ALA 25 3HB ALA 25 -17.175 -3.107 -5.211 154 H ALA 26 H ALA 26 -18.822 -3.348 -6.734 155 HA ALA 26 HA ALA 26 -20.400 -4.987 -8.448 156 1HB ALA 26 1HB ALA 26 -21.712 -3.857 -5.994 157 2HB ALA 26 2HB ALA 26 -21.930 -5.441 -6.740 158 3HB ALA 26 3HB ALA 26 -22.658 -4.012 -7.475 159 H ALA 27 H ALA 27 -21.663 -3.698 -9.989 160 HA ALA 27 HA ALA 27 -20.418 -1.361 -10.912 161 1HB ALA 27 1HB ALA 27 -22.280 -1.246 -12.388 162 2HB ALA 27 2HB ALA 27 -23.367 -1.951 -11.192 163 3HB ALA 27 3HB ALA 27 -22.146 -2.955 -11.975 164 H GLY 28 H GLY 28 -20.522 0.769 -10.298 165 1HA GLY 28 2HA GLY 28 -22.169 2.578 -9.559 166 2HA GLY 28 1HA GLY 28 -22.531 1.490 -8.222 167 H GLU 29 H GLU 29 -19.226 1.386 -9.112 168 HA GLU 29 HA GLU 29 -18.452 3.594 -7.285 169 1HB GLU 29 2HB GLU 29 -17.960 0.647 -6.767 170 2HB GLU 29 1HB GLU 29 -17.151 1.945 -5.889 171 1HG GLU 29 2HG GLU 29 -20.145 1.476 -6.007 172 2HG GLU 29 1HG GLU 29 -19.099 1.170 -4.620 173 H THR 30 H THR 30 -16.336 4.302 -7.671 174 HA THR 30 HA THR 30 -14.798 2.842 -9.799 175 HB THR 30 HB THR 30 -14.930 5.825 -9.259 176 HG1 THR 30 HG1 THR 30 -16.658 5.872 -10.438 177 1HG2 THR 30 1HG2 THR 30 -13.081 5.681 -10.577 178 2HG2 THR 30 2HG2 THR 30 -14.262 5.499 -11.874 179 3HG2 THR 30 3HG2 THR 30 -13.507 4.075 -11.164 180 H TYR 31 H TYR 31 -12.501 2.779 -9.489 181 HA TYR 31 HA TYR 31 -11.453 3.974 -6.956 182 1HB TYR 31 2HB TYR 31 -10.894 1.139 -7.846 183 2HB TYR 31 1HB TYR 31 -10.564 1.861 -6.274 184 HD1 TYR 31 HD1 TYR 31 -12.211 1.887 -4.561 185 HD2 TYR 31 HD2 TYR 31 -13.314 0.808 -8.572 186 HE1 TYR 31 HE1 TYR 31 -14.430 1.138 -3.746 187 HE2 TYR 31 HE2 TYR 31 -15.536 0.059 -7.754 188 HH TYR 31 HH TYR 31 -16.565 -0.705 -5.674 189 H TYR 32 H TYR 32 -8.925 3.337 -6.942 190 HA TYR 32 HA TYR 32 -7.789 3.769 -9.686 191 1HB TYR 32 2HB TYR 32 -7.238 5.201 -7.069 192 2HB TYR 32 1HB TYR 32 -6.186 5.340 -8.477 193 HD1 TYR 32 HD1 TYR 32 -8.304 7.291 -6.871 194 HD2 TYR 32 HD2 TYR 32 -8.104 5.352 -10.694 195 HE1 TYR 32 HE1 TYR 32 -9.794 9.030 -7.829 196 HE2 TYR 32 HE2 TYR 32 -9.592 7.087 -11.654 197 HH TYR 32 HH TYR 32 -10.166 9.535 -11.088 198 H ILE 33 H ILE 33 -6.253 2.173 -10.082 199 HA ILE 33 HA ILE 33 -5.089 0.775 -7.696 200 HB ILE 33 HB ILE 33 -6.412 -0.607 -9.194 201 1HG1 ILE 33 2HG1 ILE 33 -3.909 -1.610 -10.229 202 2HG1 ILE 33 1HG1 ILE 33 -3.684 -1.049 -8.571 203 1HG2 ILE 33 1HG2 ILE 33 -5.130 1.054 -11.187 204 2HG2 ILE 33 2HG2 ILE 33 -6.531 -0.002 -11.359 205 3HG2 ILE 33 3HG2 ILE 33 -4.905 -0.652 -11.575 206 1HD1 ILE 33 1HD1 ILE 33 -5.851 -2.346 -8.036 207 2HD1 ILE 33 2HD1 ILE 33 -4.390 -3.292 -8.324 208 3HD1 ILE 33 3HD1 ILE 33 -5.605 -3.137 -9.593 209 H ALA 34 H ALA 34 -3.041 1.429 -7.231 210 HA ALA 34 HA ALA 34 -1.063 1.646 -9.426 211 1HB ALA 34 1HB ALA 34 -2.407 3.867 -8.199 212 2HB ALA 34 2HB ALA 34 -1.165 3.900 -9.451 213 3HB ALA 34 3HB ALA 34 -0.701 3.922 -7.750 214 H GLN 35 H GLN 35 1.115 1.418 -8.651 215 HA GLN 35 HA GLN 35 1.317 0.359 -5.861 216 1HB GLN 35 2HB GLN 35 2.026 -1.195 -7.530 217 2HB GLN 35 1HB GLN 35 2.904 0.051 -8.420 218 1HG GLN 35 2HG GLN 35 3.807 -0.182 -5.648 219 2HG GLN 35 1HG GLN 35 4.009 -1.684 -6.552 220 1HE2 GLN 35 1HE2 GLN 35 5.924 -1.797 -7.725 221 2HE2 GLN 35 2HE2 GLN 35 6.809 -0.460 -8.281 222 H CYS 36 H CYS 36 2.602 1.454 -4.359 223 HA CYS 36 HA CYS 36 4.524 3.501 -5.349 224 1HB CYS 36 2HB CYS 36 2.672 4.296 -3.130 225 2HB CYS 36 1HB CYS 36 3.432 5.304 -4.352 226 H ALA 37 H ALA 37 5.734 4.449 -3.369 227 HA ALA 37 HA ALA 37 5.878 2.620 -1.034 228 1HB ALA 37 1HB ALA 37 7.558 1.470 -2.047 229 2HB ALA 37 2HB ALA 37 8.540 2.918 -1.817 230 3HB ALA 37 3HB ALA 37 7.684 2.664 -3.339 231 HA PRO 38 HA PRO 38 6.810 6.450 0.903 232 1HB PRO 38 2HB PRO 38 8.209 5.591 3.090 233 2HB PRO 38 1HB PRO 38 6.452 5.438 2.930 234 1HG PRO 38 2HG PRO 38 8.573 3.390 2.516 235 2HG PRO 38 1HG PRO 38 6.967 3.217 3.240 236 1HD PRO 38 2HD PRO 38 7.556 2.437 0.689 237 2HD PRO 38 1HD PRO 38 5.933 2.951 1.207 238 H VAL 39 H VAL 39 8.587 7.905 1.326 239 HA VAL 39 HA VAL 39 11.231 6.965 0.245 240 HB VAL 39 HB VAL 39 11.336 9.407 -0.565 241 1HG1 VAL 39 1HG1 VAL 39 9.257 8.596 -2.248 242 2HG1 VAL 39 2HG1 VAL 39 9.922 7.088 -1.620 243 3HG1 VAL 39 3HG1 VAL 39 10.970 8.232 -2.457 244 1HG2 VAL 39 1HG2 VAL 39 9.459 10.740 -0.447 245 2HG2 VAL 39 2HG2 VAL 39 9.155 9.759 0.987 246 3HG2 VAL 39 3HG2 VAL 39 8.355 9.368 -0.535 247 H GLY 40 H GLY 40 12.731 9.136 0.785 248 1HA GLY 40 2HA GLY 40 12.968 9.017 3.703 249 2HA GLY 40 1HA GLY 40 14.073 9.849 2.607 250 H GLY 41 H GLY 41 10.701 10.575 2.205 251 1HA GLY 41 2HA GLY 41 10.887 12.929 3.972 252 2HA GLY 41 1HA GLY 41 10.662 13.237 2.255 253 H GLN 42 H GLN 42 8.818 11.534 1.401 254 HA GLN 42 HA GLN 42 6.559 11.522 3.346 255 1HB GLN 42 2HB GLN 42 6.709 12.943 0.675 256 2HB GLN 42 1HB GLN 42 5.175 12.585 1.466 257 1HG GLN 42 2HG GLN 42 5.422 14.472 2.667 258 2HG GLN 42 1HG GLN 42 6.813 13.728 3.456 259 1HE2 GLN 42 1HE2 GLN 42 6.624 16.576 2.822 260 2HE2 GLN 42 2HE2 GLN 42 7.855 16.920 1.705 261 H ASP 43 H ASP 43 5.598 11.223 0.089 262 HA ASP 43 HA ASP 43 6.110 8.308 -0.045 263 1HB ASP 43 2HB ASP 43 3.950 9.075 1.275 264 2HB ASP 43 1HB ASP 43 3.301 9.315 -0.348 265 H ALA 44 H ALA 44 6.383 7.701 -2.169 266 HA ALA 44 HA ALA 44 5.392 9.575 -4.298 267 1HB ALA 44 1HB ALA 44 7.875 7.944 -4.653 268 2HB ALA 44 2HB ALA 44 7.962 9.331 -3.567 269 3HB ALA 44 3HB ALA 44 7.503 9.560 -5.255 270 H CYS 45 H CYS 45 4.755 8.512 -6.274 271 HA CYS 45 HA CYS 45 4.507 5.529 -6.080 272 1HB CYS 45 2HB CYS 45 2.444 6.966 -5.554 273 2HB CYS 45 1HB CYS 45 2.454 7.406 -7.261 274 H ASN 46 H ASN 46 4.152 4.520 -8.271 275 HA ASN 46 HA ASN 46 5.948 5.765 -10.257 276 1HB ASN 46 2HB ASN 46 5.864 3.316 -9.505 277 2HB ASN 46 1HB ASN 46 4.378 3.187 -10.446 278 1HD2 ASN 46 1HD2 ASN 46 5.528 1.666 -11.917 279 2HD2 ASN 46 2HD2 ASN 46 6.609 2.269 -13.079 280 HA PRO 47 HA PRO 47 2.261 7.453 -12.199 281 1HB PRO 47 2HB PRO 47 3.602 9.118 -13.900 282 2HB PRO 47 1HB PRO 47 3.301 9.514 -12.196 283 1HG PRO 47 2HG PRO 47 5.782 8.518 -13.495 284 2HG PRO 47 1HG PRO 47 5.586 9.666 -12.162 285 1HD PRO 47 2HD PRO 47 6.306 7.027 -11.842 286 2HD PRO 47 1HD PRO 47 5.530 8.015 -10.586 287 H ALA 48 H ALA 48 5.087 6.022 -13.735 288 HA ALA 48 HA ALA 48 4.080 5.826 -16.411 289 1HB ALA 48 1HB ALA 48 5.733 3.616 -15.875 290 2HB ALA 48 2HB ALA 48 6.277 4.878 -14.769 291 3HB ALA 48 3HB ALA 48 6.244 5.181 -16.507 292 H THR 49 H THR 49 3.389 4.014 -13.503 293 HA THR 49 HA THR 49 1.849 2.007 -15.111 294 HB THR 49 HB THR 49 2.042 0.768 -12.831 295 HG1 THR 49 HG1 THR 49 2.747 2.465 -11.583 296 1HG2 THR 49 1HG2 THR 49 3.401 0.486 -15.052 297 2HG2 THR 49 2HG2 THR 49 4.000 -0.268 -13.573 298 3HG2 THR 49 3HG2 THR 49 4.703 1.248 -14.138 299 H ALA 50 H ALA 50 0.995 4.784 -14.183 300 HA ALA 50 HA ALA 50 -0.975 4.320 -12.062 301 1HB ALA 50 1HB ALA 50 -1.620 6.703 -12.885 302 2HB ALA 50 2HB ALA 50 -0.201 6.564 -13.923 303 3HB ALA 50 3HB ALA 50 -0.024 6.483 -12.170 304 H THR 51 H THR 51 -3.223 4.047 -12.367 305 HA THR 51 HA THR 51 -4.509 4.402 -14.948 306 HB THR 51 HB THR 51 -3.148 2.405 -15.390 307 HG1 THR 51 HG1 THR 51 -4.767 1.378 -16.301 308 1HG2 THR 51 1HG2 THR 51 -3.709 0.317 -14.065 309 2HG2 THR 51 2HG2 THR 51 -4.539 1.366 -12.918 310 3HG2 THR 51 3HG2 THR 51 -2.806 1.547 -13.181 311 H SER 52 H SER 52 -6.718 4.545 -14.630 312 HA SER 52 HA SER 52 -7.767 3.820 -11.921 313 1HB SER 52 2HB SER 52 -9.579 5.482 -12.738 314 2HB SER 52 1HB SER 52 -7.990 6.137 -12.360 315 HG SER 52 HG SER 52 -8.952 6.764 -14.441 316 H PHE 53 H PHE 53 -9.894 2.808 -11.813 317 HA PHE 53 HA PHE 53 -11.058 1.771 -14.332 318 1HB PHE 53 2HB PHE 53 -10.706 -0.520 -13.755 319 2HB PHE 53 1HB PHE 53 -9.158 0.273 -13.466 320 HD1 PHE 53 HD1 PHE 53 -11.737 -1.735 -12.038 321 HD2 PHE 53 HD2 PHE 53 -8.741 1.181 -11.059 322 HE1 PHE 53 HE1 PHE 53 -11.819 -2.452 -9.665 323 HE2 PHE 53 HE2 PHE 53 -8.819 0.466 -8.686 324 HZ PHE 53 HZ PHE 53 -10.359 -1.351 -7.988 325 H THR 54 H THR 54 -12.969 0.172 -13.552 326 HA THR 54 HA THR 54 -14.301 1.264 -11.129 327 HB THR 54 HB THR 54 -15.546 1.040 -13.886 328 HG1 THR 54 HG1 THR 54 -14.825 2.969 -14.226 329 1HG2 THR 54 1HG2 THR 54 -16.516 2.319 -11.316 330 2HG2 THR 54 2HG2 THR 54 -17.139 0.830 -12.025 331 3HG2 THR 54 3HG2 THR 54 -17.361 2.366 -12.862 332 H THR 55 H THR 55 -16.315 -0.134 -10.616 333 HA THR 55 HA THR 55 -15.569 -2.950 -10.731 334 HB THR 55 HB THR 55 -18.032 -3.017 -9.747 335 HG1 THR 55 HG1 THR 55 -18.339 -0.890 -8.750 336 1HG2 THR 55 1HG2 THR 55 -16.949 -1.916 -7.594 337 2HG2 THR 55 2HG2 THR 55 -15.483 -2.010 -8.569 338 3HG2 THR 55 3HG2 THR 55 -16.390 -3.474 -8.197 339 H ASP 56 H ASP 56 -17.975 -4.271 -11.141 340 HA ASP 56 HA ASP 56 -18.853 -3.531 -13.907 341 1HB ASP 56 2HB ASP 56 -16.912 -5.388 -13.415 342 2HB ASP 56 1HB ASP 56 -18.356 -6.400 -13.359 343 H ALA 57 H ALA 57 -20.448 -5.819 -14.323 344 HA ALA 57 HA ALA 57 -22.816 -5.207 -12.910 345 1HB ALA 57 1HB ALA 57 -21.820 -7.652 -14.374 346 2HB ALA 57 2HB ALA 57 -22.903 -6.401 -14.981 347 3HB ALA 57 3HB ALA 57 -23.469 -7.541 -13.759 348 H SER 58 H SER 58 -20.732 -8.058 -12.441 349 HA SER 58 HA SER 58 -21.958 -8.503 -9.788 350 1HB SER 58 2HB SER 58 -20.302 -10.497 -9.959 351 2HB SER 58 1HB SER 58 -21.657 -10.466 -11.082 352 HG SER 58 HG SER 58 -19.533 -10.862 -12.025 353 H GLY 59 H GLY 59 -20.093 -6.175 -10.523 354 1HA GLY 59 2HA GLY 59 -18.323 -5.013 -9.498 355 2HA GLY 59 1HA GLY 59 -18.670 -5.977 -8.067 356 H ALA 60 H ALA 60 -17.630 -7.163 -11.248 357 HA ALA 60 HA ALA 60 -15.270 -8.385 -9.900 358 1HB ALA 60 1HB ALA 60 -16.719 -10.005 -10.885 359 2HB ALA 60 2HB ALA 60 -15.372 -9.840 -12.014 360 3HB ALA 60 3HB ALA 60 -16.906 -9.041 -12.350 361 H ALA 61 H ALA 61 -13.313 -7.501 -10.353 362 HA ALA 61 HA ALA 61 -12.932 -6.140 -12.995 363 1HB ALA 61 1HB ALA 61 -12.611 -4.200 -11.881 364 2HB ALA 61 2HB ALA 61 -11.356 -4.954 -10.899 365 3HB ALA 61 3HB ALA 61 -13.040 -5.020 -10.379 366 H SER 62 H SER 62 -11.874 -8.191 -13.615 367 HA SER 62 HA SER 62 -9.255 -8.668 -12.241 368 1HB SER 62 2HB SER 62 -10.984 -10.413 -14.009 369 2HB SER 62 1HB SER 62 -9.471 -10.922 -13.267 370 HG SER 62 HG SER 62 -10.941 -11.533 -11.808 371 H PHE 63 H PHE 63 -7.512 -7.885 -13.348 372 HA PHE 63 HA PHE 63 -7.503 -8.097 -16.323 373 1HB PHE 63 2HB PHE 63 -6.544 -5.682 -16.252 374 2HB PHE 63 1HB PHE 63 -8.281 -5.885 -16.032 375 HD1 PHE 63 HD1 PHE 63 -5.264 -4.575 -14.617 376 HD2 PHE 63 HD2 PHE 63 -9.153 -6.087 -13.592 377 HE1 PHE 63 HE1 PHE 63 -5.118 -3.455 -12.408 378 HE2 PHE 63 HE2 PHE 63 -9.007 -4.969 -11.382 379 HZ PHE 63 HZ PHE 63 -6.990 -3.653 -10.792 380 H SER 64 H SER 64 -5.224 -7.527 -17.167 381 HA SER 64 HA SER 64 -3.223 -8.891 -15.448 382 1HB SER 64 2HB SER 64 -2.143 -9.326 -17.486 383 2HB SER 64 1HB SER 64 -3.836 -9.289 -17.968 384 HG SER 64 HG SER 64 -2.234 -7.973 -19.207 385 H PHE 65 H PHE 65 -1.854 -7.691 -14.243 386 HA PHE 65 HA PHE 65 -1.224 -4.886 -15.102 387 1HB PHE 65 2HB PHE 65 -2.594 -5.319 -13.004 388 2HB PHE 65 1HB PHE 65 -1.188 -6.146 -12.335 389 HD1 PHE 65 HD1 PHE 65 -1.217 -3.114 -14.499 390 HD2 PHE 65 HD2 PHE 65 -0.550 -4.710 -10.568 391 HE1 PHE 65 HE1 PHE 65 -0.253 -0.947 -13.778 392 HE2 PHE 65 HE2 PHE 65 0.410 -2.546 -9.850 393 HZ PHE 65 HZ PHE 65 0.562 -0.672 -11.456 394 H VAL 66 H VAL 66 1.036 -4.408 -13.591 395 HA VAL 66 HA VAL 66 2.913 -6.682 -13.982 396 HB VAL 66 HB VAL 66 3.404 -3.894 -15.056 397 1HG1 VAL 66 1HG1 VAL 66 5.423 -5.202 -14.636 398 2HG1 VAL 66 2HG1 VAL 66 5.150 -5.109 -16.377 399 3HG1 VAL 66 3HG1 VAL 66 4.743 -6.583 -15.497 400 1HG2 VAL 66 1HG2 VAL 66 2.892 -4.872 -17.286 401 2HG2 VAL 66 2HG2 VAL 66 1.481 -4.886 -16.230 402 3HG2 VAL 66 3HG2 VAL 66 2.395 -6.369 -16.500 403 H VAL 67 H VAL 67 5.062 -6.169 -12.913 404 HA VAL 67 HA VAL 67 4.746 -4.135 -10.727 405 HB VAL 67 HB VAL 67 5.786 -5.833 -9.242 406 1HG1 VAL 67 1HG1 VAL 67 3.835 -7.228 -9.038 407 2HG1 VAL 67 2HG1 VAL 67 3.405 -6.973 -10.730 408 3HG1 VAL 67 3HG1 VAL 67 3.284 -5.643 -9.577 409 1HG2 VAL 67 1HG2 VAL 67 6.312 -8.010 -10.000 410 2HG2 VAL 67 2HG2 VAL 67 6.909 -6.970 -11.293 411 3HG2 VAL 67 3HG2 VAL 67 5.374 -7.816 -11.480 412 H ARG 68 H ARG 68 6.746 -3.197 -9.981 413 HA ARG 68 HA ARG 68 9.157 -3.791 -11.662 414 1HB ARG 68 2HB ARG 68 7.616 -1.271 -11.199 415 2HB ARG 68 1HB ARG 68 9.370 -1.138 -11.327 416 1HG ARG 68 2HG ARG 68 8.694 -0.917 -13.561 417 2HG ARG 68 1HG ARG 68 9.077 -2.635 -13.454 418 1HD ARG 68 2HD ARG 68 6.974 -2.951 -14.295 419 2HD ARG 68 1HD ARG 68 6.423 -2.558 -12.653 420 HE ARG 68 HE ARG 68 5.942 -0.325 -13.373 421 1HH1 ARG 68 1HH2 ARG 68 4.802 -1.575 -15.782 422 2HH1 ARG 68 2HH2 ARG 68 5.636 -0.776 -17.072 423 1HH2 ARG 68 1HH1 ARG 68 8.177 0.425 -15.042 424 2HH2 ARG 68 2HH1 ARG 68 7.547 0.355 -16.653 425 H LYS 69 H LYS 69 11.175 -3.440 -10.544 426 HA LYS 69 HA LYS 69 11.002 -3.644 -7.613 427 1HB LYS 69 2HB LYS 69 12.527 -4.961 -9.141 428 2HB LYS 69 1HB LYS 69 13.417 -3.466 -9.435 429 1HG LYS 69 2HG LYS 69 14.318 -3.419 -7.322 430 2HG LYS 69 1HG LYS 69 12.913 -4.197 -6.592 431 1HD LYS 69 2HD LYS 69 14.864 -5.642 -8.406 432 2HD LYS 69 1HD LYS 69 14.993 -5.635 -6.646 433 1HE LYS 69 2HE LYS 69 13.154 -7.007 -6.371 434 2HE LYS 69 1HE LYS 69 12.346 -6.381 -7.821 435 1HZ LYS 69 1HZ LYS 69 14.845 -7.976 -7.904 436 2HZ LYS 69 2HZ LYS 69 13.864 -7.528 -9.216 437 3HZ LYS 69 3HZ LYS 69 13.303 -8.659 -8.080 438 H SER 70 H SER 70 12.153 -1.271 -10.001 439 HA SER 70 HA SER 70 12.287 0.753 -7.797 440 1HB SER 70 2HB SER 70 14.318 1.567 -9.291 441 2HB SER 70 1HB SER 70 14.547 0.288 -8.103 442 HG SER 70 HG SER 70 14.303 -1.221 -9.751 443 H TYR 71 H TYR 71 11.737 2.898 -8.486 444 HA TYR 71 HA TYR 71 11.162 3.442 -11.321 445 1HB TYR 71 2HB TYR 71 8.749 3.705 -10.959 446 2HB TYR 71 1HB TYR 71 9.243 2.072 -10.508 447 HD1 TYR 71 HD1 TYR 71 8.662 5.481 -9.075 448 HD2 TYR 71 HD2 TYR 71 8.810 1.249 -8.346 449 HE1 TYR 71 HE1 TYR 71 7.792 5.847 -6.780 450 HE2 TYR 71 HE2 TYR 71 7.940 1.615 -6.050 451 HH TYR 71 HH TYR 71 6.639 4.627 -5.038 452 H THR 72 H THR 72 10.301 5.722 -11.561 453 HA THR 72 HA THR 72 11.598 7.493 -9.582 454 HB THR 72 HB THR 72 10.331 7.784 -12.307 455 HG1 THR 72 HG1 THR 72 12.517 7.005 -11.983 456 1HG2 THR 72 1HG2 THR 72 9.697 9.794 -11.119 457 2HG2 THR 72 2HG2 THR 72 11.042 10.192 -12.189 458 3HG2 THR 72 3HG2 THR 72 11.324 9.970 -10.462 459 H GLY 73 H GLY 73 10.400 8.184 -7.851 460 1HA GLY 73 2HA GLY 73 7.439 8.347 -8.149 461 2HA GLY 73 1HA GLY 73 8.304 8.279 -6.613 462 H SER 74 H SER 74 6.342 10.277 -7.399 463 HA SER 74 HA SER 74 7.544 12.650 -6.441 464 1HB SER 74 2HB SER 74 7.582 13.790 -8.813 465 2HB SER 74 1HB SER 74 8.950 12.807 -8.305 466 HG SER 74 HG SER 74 7.588 12.475 -10.452 467 H THR 75 H THR 75 5.820 13.933 -5.856 468 HA THR 75 HA THR 75 3.145 13.291 -6.885 469 HB THR 75 HB THR 75 2.556 15.065 -5.160 470 HG1 THR 75 HG1 THR 75 4.214 16.292 -4.774 471 1HG2 THR 75 1HG2 THR 75 3.226 13.625 -3.259 472 2HG2 THR 75 2HG2 THR 75 4.312 12.748 -4.336 473 3HG2 THR 75 3HG2 THR 75 2.570 12.693 -4.603 474 HA PRO 76 HA PRO 76 3.199 16.683 -9.708 475 1HB PRO 76 2HB PRO 76 0.621 16.450 -10.560 476 2HB PRO 76 1HB PRO 76 1.901 15.320 -11.037 477 1HG PRO 76 2HG PRO 76 -0.348 14.918 -9.193 478 2HG PRO 76 1HG PRO 76 0.629 13.724 -10.059 479 1HD PRO 76 2HD PRO 76 0.849 14.516 -7.312 480 2HD PRO 76 1HD PRO 76 1.844 13.340 -8.196 481 H GLU 77 H GLU 77 2.258 17.038 -6.729 482 HA GLU 77 HA GLU 77 0.379 19.315 -7.160 483 1HB GLU 77 2HB GLU 77 0.227 17.161 -5.506 484 2HB GLU 77 1HB GLU 77 1.009 18.327 -4.440 485 1HG GLU 77 2HG GLU 77 -1.502 18.380 -4.311 486 2HG GLU 77 1HG GLU 77 -0.786 19.926 -4.769 487 H GLY 78 H GLY 78 3.636 18.605 -6.472 488 1HA GLY 78 2HA GLY 78 5.063 20.724 -6.551 489 2HA GLY 78 1HA GLY 78 4.016 21.312 -5.259 490 H THR 79 H THR 79 4.885 17.944 -5.294 491 HA THR 79 HA THR 79 7.003 18.414 -3.244 492 HB THR 79 HB THR 79 4.679 16.494 -2.926 493 HG1 THR 79 HG1 THR 79 3.634 18.280 -2.551 494 1HG2 THR 79 1HG2 THR 79 6.595 15.843 -1.620 495 2HG2 THR 79 2HG2 THR 79 5.444 16.603 -0.521 496 3HG2 THR 79 3HG2 THR 79 6.856 17.502 -1.081 497 HA PRO 80 HA PRO 80 7.818 15.002 -6.340 498 1HB PRO 80 2HB PRO 80 10.123 16.058 -7.371 499 2HB PRO 80 1HB PRO 80 8.515 16.407 -8.034 500 1HG PRO 80 2HG PRO 80 10.216 18.060 -6.235 501 2HG PRO 80 1HG PRO 80 9.170 18.559 -7.574 502 1HD PRO 80 2HD PRO 80 8.465 18.788 -4.941 503 2HD PRO 80 1HD PRO 80 7.291 18.602 -6.263 504 H VAL 81 H VAL 81 9.311 13.329 -5.874 505 HA VAL 81 HA VAL 81 11.136 13.851 -3.559 506 HB VAL 81 HB VAL 81 9.645 11.412 -4.548 507 1HG1 VAL 81 1HG1 VAL 81 11.725 11.693 -2.364 508 2HG1 VAL 81 2HG1 VAL 81 11.773 10.613 -3.757 509 3HG1 VAL 81 3HG1 VAL 81 10.607 10.332 -2.465 510 1HG2 VAL 81 1HG2 VAL 81 8.261 11.711 -2.703 511 2HG2 VAL 81 2HG2 VAL 81 8.640 13.390 -3.092 512 3HG2 VAL 81 3HG2 VAL 81 9.498 12.571 -1.786 513 H GLY 82 H GLY 82 10.881 12.014 -6.606 514 1HA GLY 82 2HA GLY 82 12.848 12.164 -8.144 515 2HA GLY 82 1HA GLY 82 13.861 12.021 -6.711 516 H SER 83 H SER 83 14.889 10.127 -7.517 517 HA SER 83 HA SER 83 13.626 7.794 -8.511 518 1HB SER 83 2HB SER 83 16.070 7.851 -6.739 519 2HB SER 83 1HB SER 83 15.746 6.783 -8.102 520 HG SER 83 HG SER 83 16.813 9.291 -8.047 521 H VAL 84 H VAL 84 12.907 5.882 -7.467 522 HA VAL 84 HA VAL 84 12.675 5.944 -4.486 523 HB VAL 84 HB VAL 84 10.505 5.600 -6.569 524 1HG1 VAL 84 1HG1 VAL 84 10.076 3.861 -4.989 525 2HG1 VAL 84 2HG1 VAL 84 9.043 5.203 -4.497 526 3HG1 VAL 84 3HG1 VAL 84 10.543 4.881 -3.627 527 1HG2 VAL 84 1HG2 VAL 84 9.811 7.278 -4.372 528 2HG2 VAL 84 2HG2 VAL 84 10.082 7.749 -6.050 529 3HG2 VAL 84 3HG2 VAL 84 11.424 7.750 -4.905 530 H ASP 85 H ASP 85 14.015 4.166 -4.131 531 HA ASP 85 HA ASP 85 13.687 1.733 -5.799 532 1HB ASP 85 2HB ASP 85 15.610 2.719 -3.693 533 2HB ASP 85 1HB ASP 85 15.645 1.045 -4.247 534 H CYS 86 H CYS 86 12.373 0.082 -5.120 535 HA CYS 86 HA CYS 86 11.184 0.180 -2.423 536 1HB CYS 86 2HB CYS 86 10.808 -1.307 -4.996 537 2HB CYS 86 1HB CYS 86 10.148 -2.017 -3.524 538 H ALA 87 H ALA 87 14.089 -0.888 -3.516 539 HA ALA 87 HA ALA 87 14.292 -3.570 -2.510 540 1HB ALA 87 1HB ALA 87 15.819 -1.967 -4.011 541 2HB ALA 87 2HB ALA 87 16.522 -3.301 -3.096 542 3HB ALA 87 3HB ALA 87 16.594 -1.659 -2.456 543 H THR 88 H THR 88 15.652 -0.576 -1.074 544 HA THR 88 HA THR 88 15.993 -1.800 1.536 545 HB THR 88 HB THR 88 17.353 0.062 0.544 546 HG1 THR 88 HG1 THR 88 17.736 0.305 2.580 547 1HG2 THR 88 1HG2 THR 88 15.141 1.941 1.295 548 2HG2 THR 88 2HG2 THR 88 15.118 1.171 -0.291 549 3HG2 THR 88 3HG2 THR 88 16.481 2.187 0.175 550 H ALA 89 H ALA 89 13.535 0.243 0.035 551 HA ALA 89 HA ALA 89 12.031 0.467 2.571 552 1HB ALA 89 1HB ALA 89 10.507 1.721 0.779 553 2HB ALA 89 2HB ALA 89 11.997 1.675 -0.166 554 3HB ALA 89 3HB ALA 89 11.973 2.475 1.406 555 H ALA 90 H ALA 90 9.475 0.213 2.029 556 HA ALA 90 HA ALA 90 9.182 -2.577 1.013 557 1HB ALA 90 1HB ALA 90 8.500 -1.797 3.346 558 2HB ALA 90 2HB ALA 90 7.254 -2.640 2.427 559 3HB ALA 90 3HB ALA 90 7.216 -0.882 2.559 560 H CYS 91 H CYS 91 7.850 -3.014 -0.739 561 HA CYS 91 HA CYS 91 6.642 -0.647 -2.114 562 1HB CYS 91 2HB CYS 91 8.396 -2.631 -2.941 563 2HB CYS 91 1HB CYS 91 6.845 -3.199 -3.559 564 H ASN 92 H ASN 92 4.420 -0.566 -2.248 565 HA ASN 92 HA ASN 92 2.898 -3.108 -1.805 566 1HB ASN 92 2HB ASN 92 2.270 -0.380 -0.640 567 2HB ASN 92 1HB ASN 92 1.448 -1.899 -0.276 568 1HD2 ASN 92 1HD2 ASN 92 4.702 -0.367 -0.067 569 2HD2 ASN 92 2HD2 ASN 92 5.189 -1.241 1.304 570 H LEU 93 H LEU 93 0.633 -2.941 -2.592 571 HA LEU 93 HA LEU 93 0.304 -0.932 -4.797 572 1HB LEU 93 2HB LEU 93 0.933 -3.125 -5.673 573 2HB LEU 93 1HB LEU 93 -0.321 -3.901 -4.705 574 HG LEU 93 HG LEU 93 -2.063 -2.730 -5.947 575 1HD1 LEU 93 1HD1 LEU 93 0.242 -1.125 -6.803 576 2HD1 LEU 93 2HD1 LEU 93 -1.468 -0.697 -6.760 577 3HD1 LEU 93 3HD1 LEU 93 -0.815 -1.584 -8.138 578 1HD2 LEU 93 1HD2 LEU 93 -0.587 -3.546 -8.310 579 2HD2 LEU 93 2HD2 LEU 93 -1.969 -4.326 -7.541 580 3HD2 LEU 93 3HD2 LEU 93 -0.332 -4.690 -6.992 581 H GLY 94 H GLY 94 -1.362 0.377 -4.069 582 1HA GLY 94 2HA GLY 94 -3.564 -0.917 -2.525 583 2HA GLY 94 1HA GLY 94 -3.233 0.817 -2.559 584 H ALA 95 H ALA 95 -5.803 -0.096 -3.042 585 HA ALA 95 HA ALA 95 -6.228 0.901 -5.779 586 1HB ALA 95 1HB ALA 95 -5.786 -1.716 -5.581 587 2HB ALA 95 2HB ALA 95 -7.009 -1.086 -6.686 588 3HB ALA 95 3HB ALA 95 -7.486 -1.730 -5.115 589 H GLY 96 H GLY 96 -7.578 2.549 -4.978 590 1HA GLY 96 2HA GLY 96 -10.297 1.926 -4.377 591 2HA GLY 96 1HA GLY 96 -9.459 2.285 -2.866 592 H ASN 97 H ASN 97 -11.408 4.028 -3.430 593 HA ASN 97 HA ASN 97 -9.972 6.394 -4.552 594 1HB ASN 97 2HB ASN 97 -11.850 6.901 -5.803 595 2HB ASN 97 1HB ASN 97 -12.095 5.164 -5.681 596 1HD2 ASN 97 1HD2 ASN 97 -13.051 4.899 -3.050 597 2HD2 ASN 97 2HD2 ASN 97 -14.517 5.740 -2.890 598 H SER 98 H SER 98 -12.106 8.197 -3.723 599 HA SER 98 HA SER 98 -11.488 8.297 -0.820 600 1HB SER 98 2HB SER 98 -12.397 10.666 -1.191 601 2HB SER 98 1HB SER 98 -10.899 10.267 -2.026 602 HG SER 98 HG SER 98 -11.911 10.423 -3.870 603 H GLY 99 H GLY 99 -13.165 6.532 -0.449 604 1HA GLY 99 2HA GLY 99 -15.529 7.476 0.666 605 2HA GLY 99 1HA GLY 99 -15.949 7.124 -1.008 606 H LEU 100 H LEU 100 -14.152 4.844 -1.295 607 HA LEU 100 HA LEU 100 -15.676 2.898 0.393 608 1HB LEU 100 2HB LEU 100 -15.760 3.018 -2.197 609 2HB LEU 100 1HB LEU 100 -14.153 2.290 -2.127 610 HG LEU 100 HG LEU 100 -15.988 0.933 -0.335 611 1HD1 LEU 100 1HD1 LEU 100 -16.700 0.536 -3.217 612 2HD1 LEU 100 2HD1 LEU 100 -17.461 1.853 -2.326 613 3HD1 LEU 100 3HD1 LEU 100 -17.650 0.190 -1.775 614 1HD2 LEU 100 1HD2 LEU 100 -14.901 -0.381 -2.768 615 2HD2 LEU 100 2HD2 LEU 100 -14.826 -0.895 -1.082 616 3HD2 LEU 100 3HD2 LEU 100 -13.713 0.336 -1.679 617 H ASP 101 H ASP 101 -12.439 3.442 -1.001 618 HA ASP 101 HA ASP 101 -10.322 2.707 -0.258 619 1HB ASP 101 2HB ASP 101 -12.008 2.993 2.231 620 2HB ASP 101 1HB ASP 101 -10.296 2.579 2.318 621 H LEU 102 H LEU 102 -9.963 0.623 -1.044 622 HA LEU 102 HA LEU 102 -11.379 -1.666 0.199 623 1HB LEU 102 2HB LEU 102 -9.963 -1.018 -2.307 624 2HB LEU 102 1HB LEU 102 -9.721 -2.669 -1.733 625 HG LEU 102 HG LEU 102 -12.462 -1.406 -1.935 626 1HD1 LEU 102 1HD1 LEU 102 -12.285 -3.244 -3.980 627 2HD1 LEU 102 2HD1 LEU 102 -10.700 -2.472 -4.032 628 3HD1 LEU 102 3HD1 LEU 102 -12.162 -1.497 -4.180 629 1HD2 LEU 102 1HD2 LEU 102 -13.272 -3.522 -1.456 630 2HD2 LEU 102 2HD2 LEU 102 -11.757 -3.577 -0.554 631 3HD2 LEU 102 3HD2 LEU 102 -11.864 -4.331 -2.145 632 H GLY 103 H GLY 103 -7.978 -0.991 -0.703 633 1HA GLY 103 2HA GLY 103 -6.697 -1.255 1.712 634 2HA GLY 103 1HA GLY 103 -7.022 -2.930 1.264 635 H HIS 104 H HIS 104 -4.613 -3.084 1.207 636 HA HIS 104 HA HIS 104 -3.626 -2.528 -1.537 637 1HB HIS 104 2HB HIS 104 -1.688 -1.322 -0.700 638 2HB HIS 104 1HB HIS 104 -3.138 -0.557 -0.048 639 HD1 HIS 104 HD1 HIS 104 -0.057 -2.339 0.955 640 HD2 HIS 104 HD2 HIS 104 -3.661 -1.242 2.741 641 HE1 HIS 104 HE1 HIS 104 0.271 -2.601 3.455 642 H VAL 105 H VAL 105 -2.414 -4.271 -2.220 643 HA VAL 105 HA VAL 105 -1.822 -6.438 -0.302 644 HB VAL 105 HB VAL 105 -1.231 -6.216 -3.268 645 1HG1 VAL 105 1HG1 VAL 105 -0.300 -8.112 -1.720 646 2HG1 VAL 105 2HG1 VAL 105 -1.058 -8.555 -3.250 647 3HG1 VAL 105 3HG1 VAL 105 -1.960 -8.709 -1.743 648 1HG2 VAL 105 1HG2 VAL 105 -3.456 -6.185 -3.629 649 2HG2 VAL 105 2HG2 VAL 105 -3.765 -6.220 -1.893 650 3HG2 VAL 105 3HG2 VAL 105 -3.586 -7.730 -2.787 651 H ALA 106 H ALA 106 0.188 -6.752 0.596 652 HA ALA 106 HA ALA 106 2.373 -4.905 -0.062 653 1HB ALA 106 1HB ALA 106 1.555 -5.930 2.218 654 2HB ALA 106 2HB ALA 106 3.282 -5.697 1.948 655 3HB ALA 106 3HB ALA 106 2.567 -7.296 1.750 656 H LEU 107 H LEU 107 3.865 -5.347 -1.629 657 HA LEU 107 HA LEU 107 4.057 -8.088 -2.740 658 1HB LEU 107 2HB LEU 107 5.137 -5.364 -3.503 659 2HB LEU 107 1HB LEU 107 5.492 -6.830 -4.417 660 HG LEU 107 HG LEU 107 2.753 -5.635 -3.909 661 1HD1 LEU 107 1HD1 LEU 107 4.686 -5.669 -6.174 662 2HD1 LEU 107 2HD1 LEU 107 3.507 -4.439 -5.719 663 3HD1 LEU 107 3HD1 LEU 107 2.984 -5.885 -6.582 664 1HD2 LEU 107 1HD2 LEU 107 1.981 -7.744 -4.159 665 2HD2 LEU 107 2HD2 LEU 107 3.593 -8.354 -4.530 666 3HD2 LEU 107 3HD2 LEU 107 2.584 -7.686 -5.814 667 H THR 108 H THR 108 6.353 -8.839 -3.281 668 HA THR 108 HA THR 108 8.379 -7.979 -1.262 669 HB THR 108 HB THR 108 7.451 -10.819 -1.802 670 HG1 THR 108 HG1 THR 108 6.594 -10.673 0.263 671 1HG2 THR 108 1HG2 THR 108 9.592 -9.641 -0.027 672 2HG2 THR 108 2HG2 THR 108 9.763 -10.904 -1.246 673 3HG2 THR 108 3HG2 THR 108 8.912 -11.242 0.260 674 H PHE 109 H PHE 109 10.542 -9.124 -1.815 675 HA PHE 109 HA PHE 109 10.798 -9.790 -4.706 676 1HB PHE 109 2HB PHE 109 11.753 -7.371 -3.262 677 2HB PHE 109 1HB PHE 109 12.884 -8.094 -4.408 678 HD1 PHE 109 HD1 PHE 109 11.346 -9.070 -6.590 679 HD2 PHE 109 HD2 PHE 109 10.650 -5.554 -4.221 680 HE1 PHE 109 HE1 PHE 109 10.095 -8.047 -8.472 681 HE2 PHE 109 HE2 PHE 109 9.399 -4.533 -6.103 682 HZ PHE 109 HZ PHE 109 9.119 -5.781 -8.227 683 H GLY 110 H GLY 110 11.884 -11.725 -4.647 684 1HA GLY 110 2HA GLY 110 13.488 -12.560 -2.396 685 2HA GLY 110 1HA GLY 110 13.389 -13.393 -3.948 Start of MODEL 15 1 1H ALA 1 1H ALA 1 -17.880 -5.979 2.809 2 2H ALA 1 2H ALA 1 -16.977 -5.616 4.201 3 3H ALA 1 3H ALA 1 -16.633 -7.018 3.306 4 HA ALA 1 HA ALA 1 -16.281 -4.231 2.318 5 1HB ALA 1 1HB ALA 1 -13.954 -5.961 2.646 6 2HB ALA 1 2HB ALA 1 -14.824 -5.742 4.164 7 3HB ALA 1 3HB ALA 1 -14.231 -4.338 3.277 8 HA PRO 2 HA PRO 2 -15.999 -6.097 -1.639 9 1HB PRO 2 2HB PRO 2 -14.029 -4.612 -2.825 10 2HB PRO 2 1HB PRO 2 -15.659 -3.982 -2.509 11 1HG PRO 2 2HG PRO 2 -13.132 -3.543 -0.999 12 2HG PRO 2 1HG PRO 2 -14.457 -2.417 -1.337 13 1HD PRO 2 2HD PRO 2 -14.110 -3.687 1.068 14 2HD PRO 2 1HD PRO 2 -15.680 -3.115 0.465 15 H ALA 3 H ALA 3 -13.631 -6.365 -3.242 16 HA ALA 3 HA ALA 3 -11.804 -8.009 -1.547 17 1HB ALA 3 1HB ALA 3 -12.702 -9.073 -4.185 18 2HB ALA 3 2HB ALA 3 -13.859 -9.130 -2.855 19 3HB ALA 3 3HB ALA 3 -12.302 -9.944 -2.706 20 H PHE 4 H PHE 4 -9.707 -7.603 -2.089 21 HA PHE 4 HA PHE 4 -9.003 -6.863 -4.879 22 1HB PHE 4 2HB PHE 4 -9.542 -4.755 -3.745 23 2HB PHE 4 1HB PHE 4 -8.467 -5.177 -2.411 24 HD1 PHE 4 HD1 PHE 4 -6.034 -5.099 -2.669 25 HD2 PHE 4 HD2 PHE 4 -8.646 -4.131 -5.940 26 HE1 PHE 4 HE1 PHE 4 -4.121 -4.121 -3.910 27 HE2 PHE 4 HE2 PHE 4 -6.735 -3.153 -7.178 28 HZ PHE 4 HZ PHE 4 -4.472 -3.147 -6.163 29 H SER 5 H SER 5 -7.671 -8.720 -5.051 30 HA SER 5 HA SER 5 -5.204 -8.619 -3.391 31 1HB SER 5 2HB SER 5 -5.528 -11.117 -3.000 32 2HB SER 5 1HB SER 5 -6.633 -10.059 -2.126 33 HG SER 5 HG SER 5 -7.082 -11.641 -4.420 34 H VAL 6 H VAL 6 -3.413 -9.559 -4.410 35 HA VAL 6 HA VAL 6 -3.789 -10.242 -7.296 36 HB VAL 6 HB VAL 6 -2.363 -8.293 -6.559 37 1HG1 VAL 6 1HG1 VAL 6 -1.571 -9.818 -4.520 38 2HG1 VAL 6 2HG1 VAL 6 -0.519 -8.571 -5.189 39 3HG1 VAL 6 3HG1 VAL 6 -0.294 -10.256 -5.654 40 1HG2 VAL 6 1HG2 VAL 6 -1.985 -9.725 -8.669 41 2HG2 VAL 6 2HG2 VAL 6 -0.659 -10.473 -7.778 42 3HG2 VAL 6 3HG2 VAL 6 -0.627 -8.744 -8.120 43 H SER 7 H SER 7 -2.442 -12.071 -8.117 44 HA SER 7 HA SER 7 -2.479 -14.321 -6.279 45 1HB SER 7 2HB SER 7 -1.928 -13.769 -9.133 46 2HB SER 7 1HB SER 7 -1.114 -15.184 -8.474 47 HG SER 7 HG SER 7 -3.158 -15.766 -9.212 48 HA PRO 8 HA PRO 8 2.235 -14.217 -6.350 49 1HB PRO 8 2HB PRO 8 3.601 -12.646 -8.105 50 2HB PRO 8 1HB PRO 8 3.015 -14.267 -8.527 51 1HG PRO 8 2HG PRO 8 1.880 -11.606 -9.222 52 2HG PRO 8 1HG PRO 8 1.950 -13.091 -10.182 53 1HD PRO 8 2HD PRO 8 -0.295 -12.208 -8.861 54 2HD PRO 8 1HD PRO 8 0.021 -13.900 -9.304 55 H ALA 9 H ALA 9 1.600 -12.902 -4.393 56 HA ALA 9 HA ALA 9 1.765 -9.993 -4.466 57 1HB ALA 9 1HB ALA 9 0.793 -11.945 -2.773 58 2HB ALA 9 2HB ALA 9 0.950 -10.240 -2.350 59 3HB ALA 9 3HB ALA 9 2.221 -11.380 -1.906 60 H SER 10 H SER 10 4.074 -12.520 -4.379 61 HA SER 10 HA SER 10 6.238 -10.545 -3.799 62 1HB SER 10 2HB SER 10 6.066 -11.631 -1.729 63 2HB SER 10 1HB SER 10 5.581 -13.157 -2.460 64 HG SER 10 HG SER 10 8.129 -11.989 -2.219 65 H GLY 11 H GLY 11 8.363 -11.332 -4.642 66 1HA GLY 11 2HA GLY 11 9.712 -12.487 -6.197 67 2HA GLY 11 1HA GLY 11 8.408 -13.661 -6.389 68 H LEU 12 H LEU 12 8.470 -10.132 -6.909 69 HA LEU 12 HA LEU 12 7.264 -10.583 -9.600 70 1HB LEU 12 2HB LEU 12 7.568 -8.085 -7.899 71 2HB LEU 12 1HB LEU 12 6.563 -8.247 -9.341 72 HG LEU 12 HG LEU 12 6.178 -10.122 -7.016 73 1HD1 LEU 12 1HD1 LEU 12 6.096 -7.697 -6.235 74 2HD1 LEU 12 2HD1 LEU 12 4.619 -8.628 -5.981 75 3HD1 LEU 12 3HD1 LEU 12 4.722 -7.487 -7.322 76 1HD2 LEU 12 1HD2 LEU 12 5.120 -10.231 -9.435 77 2HD2 LEU 12 2HD2 LEU 12 4.046 -8.987 -8.795 78 3HD2 LEU 12 3HD2 LEU 12 4.126 -10.569 -8.020 79 H SER 13 H SER 13 8.061 -8.912 -11.305 80 HA SER 13 HA SER 13 10.920 -8.183 -10.948 81 1HB SER 13 2HB SER 13 9.720 -10.135 -12.885 82 2HB SER 13 1HB SER 13 11.189 -9.265 -13.317 83 HG SER 13 HG SER 13 10.751 -10.904 -11.035 84 H ASP 14 H ASP 14 11.681 -6.710 -12.685 85 HA ASP 14 HA ASP 14 9.846 -4.612 -13.296 86 1HB ASP 14 2HB ASP 14 12.595 -5.175 -13.438 87 2HB ASP 14 1HB ASP 14 12.120 -4.802 -15.096 88 H GLY 15 H GLY 15 8.307 -4.545 -14.893 89 1HA GLY 15 2HA GLY 15 7.476 -4.800 -17.117 90 2HA GLY 15 1HA GLY 15 8.819 -5.887 -17.460 91 H GLN 16 H GLN 16 8.263 -7.417 -14.955 92 HA GLN 16 HA GLN 16 6.773 -9.556 -15.953 93 1HB GLN 16 2HB GLN 16 8.175 -8.988 -13.707 94 2HB GLN 16 1HB GLN 16 6.537 -8.927 -13.056 95 1HG GLN 16 2HG GLN 16 7.434 -11.228 -14.786 96 2HG GLN 16 1HG GLN 16 7.752 -11.218 -13.053 97 1HE2 GLN 16 1HE2 GLN 16 6.007 -11.709 -11.648 98 2HE2 GLN 16 2HE2 GLN 16 4.424 -12.006 -12.184 99 H SER 17 H SER 17 4.597 -10.019 -16.092 100 HA SER 17 HA SER 17 2.687 -7.836 -15.416 101 1HB SER 17 2HB SER 17 2.341 -8.472 -17.612 102 2HB SER 17 1HB SER 17 2.889 -10.121 -17.332 103 HG SER 17 HG SER 17 0.456 -9.408 -17.570 104 H VAL 18 H VAL 18 1.514 -8.076 -13.556 105 HA VAL 18 HA VAL 18 1.330 -10.741 -12.264 106 HB VAL 18 HB VAL 18 0.660 -9.340 -10.305 107 1HG1 VAL 18 1HG1 VAL 18 3.151 -8.346 -11.731 108 2HG1 VAL 18 2HG1 VAL 18 3.057 -9.820 -10.765 109 3HG1 VAL 18 3HG1 VAL 18 2.838 -8.245 -9.999 110 1HG2 VAL 18 1HG2 VAL 18 -0.329 -7.553 -11.947 111 2HG2 VAL 18 2HG2 VAL 18 1.313 -6.918 -11.979 112 3HG2 VAL 18 3HG2 VAL 18 0.431 -6.999 -10.455 113 H SER 19 H SER 19 -0.860 -11.175 -11.183 114 HA SER 19 HA SER 19 -3.067 -10.296 -13.016 115 1HB SER 19 2HB SER 19 -2.332 -12.869 -11.668 116 2HB SER 19 1HB SER 19 -4.020 -12.562 -12.065 117 HG SER 19 HG SER 19 -2.174 -11.994 -14.057 118 H VAL 20 H VAL 20 -4.494 -8.975 -12.008 119 HA VAL 20 HA VAL 20 -4.746 -9.121 -9.035 120 HB VAL 20 HB VAL 20 -5.182 -7.003 -11.141 121 1HG1 VAL 20 1HG1 VAL 20 -7.123 -6.947 -9.609 122 2HG1 VAL 20 2HG1 VAL 20 -6.084 -5.542 -9.372 123 3HG1 VAL 20 3HG1 VAL 20 -6.029 -6.885 -8.229 124 1HG2 VAL 20 1HG2 VAL 20 -3.695 -6.806 -8.526 125 2HG2 VAL 20 2HG2 VAL 20 -3.485 -5.840 -9.985 126 3HG2 VAL 20 3HG2 VAL 20 -2.938 -7.514 -9.951 127 H SER 21 H SER 21 -6.881 -9.141 -8.126 128 HA SER 21 HA SER 21 -9.127 -9.631 -10.026 129 1HB SER 21 2HB SER 21 -7.953 -11.767 -9.304 130 2HB SER 21 1HB SER 21 -8.468 -11.410 -7.657 131 HG SER 21 HG SER 21 -10.469 -11.899 -8.178 132 H VAL 22 H VAL 22 -10.825 -8.391 -9.381 133 HA VAL 22 HA VAL 22 -11.005 -7.594 -6.498 134 HB VAL 22 HB VAL 22 -11.977 -6.212 -9.020 135 1HG1 VAL 22 1HG1 VAL 22 -11.701 -4.425 -6.849 136 2HG1 VAL 22 2HG1 VAL 22 -12.558 -5.831 -6.217 137 3HG1 VAL 22 3HG1 VAL 22 -13.201 -4.958 -7.608 138 1HG2 VAL 22 1HG2 VAL 22 -9.368 -6.436 -7.981 139 2HG2 VAL 22 2HG2 VAL 22 -9.930 -4.836 -7.491 140 3HG2 VAL 22 3HG2 VAL 22 -9.925 -5.287 -9.197 141 H SER 23 H SER 23 -13.088 -7.735 -5.514 142 HA SER 23 HA SER 23 -15.426 -8.571 -7.091 143 1HB SER 23 2HB SER 23 -14.351 -10.691 -6.919 144 2HB SER 23 1HB SER 23 -13.871 -10.398 -5.250 145 HG SER 23 HG SER 23 -15.714 -11.203 -4.669 146 H GLY 24 H GLY 24 -17.381 -8.469 -5.814 147 1HA GLY 24 2HA GLY 24 -18.437 -8.262 -3.577 148 2HA GLY 24 1HA GLY 24 -17.010 -7.364 -3.060 149 H ALA 25 H ALA 25 -16.664 -5.576 -5.135 150 HA ALA 25 HA ALA 25 -18.522 -3.506 -4.536 151 1HB ALA 25 1HB ALA 25 -16.148 -3.451 -5.528 152 2HB ALA 25 2HB ALA 25 -17.306 -2.303 -6.197 153 3HB ALA 25 3HB ALA 25 -16.914 -3.777 -7.083 154 H ALA 26 H ALA 26 -19.132 -2.548 -7.215 155 HA ALA 26 HA ALA 26 -20.649 -4.473 -8.733 156 1HB ALA 26 1HB ALA 26 -22.749 -2.910 -7.620 157 2HB ALA 26 2HB ALA 26 -21.768 -3.485 -6.272 158 3HB ALA 26 3HB ALA 26 -22.470 -4.640 -7.406 159 H ALA 27 H ALA 27 -21.398 -3.550 -10.628 160 HA ALA 27 HA ALA 27 -20.390 -1.409 -11.908 161 1HB ALA 27 1HB ALA 27 -23.326 -1.517 -12.157 162 2HB ALA 27 2HB ALA 27 -22.530 -3.088 -12.247 163 3HB ALA 27 3HB ALA 27 -22.086 -1.808 -13.376 164 H GLY 28 H GLY 28 -20.295 0.775 -11.649 165 1HA GLY 28 2HA GLY 28 -21.521 2.888 -11.242 166 2HA GLY 28 1HA GLY 28 -22.337 2.069 -9.913 167 H GLU 29 H GLU 29 -19.131 1.079 -9.998 168 HA GLU 29 HA GLU 29 -18.295 3.246 -8.098 169 1HB GLU 29 2HB GLU 29 -17.762 0.279 -7.790 170 2HB GLU 29 1HB GLU 29 -17.498 1.543 -6.589 171 1HG GLU 29 2HG GLU 29 -20.194 1.797 -7.314 172 2HG GLU 29 1HG GLU 29 -19.924 0.061 -7.181 173 H THR 30 H THR 30 -16.435 4.162 -8.862 174 HA THR 30 HA THR 30 -14.679 2.558 -10.673 175 HB THR 30 HB THR 30 -14.828 5.540 -10.107 176 HG1 THR 30 HG1 THR 30 -15.718 4.254 -12.438 177 1HG2 THR 30 1HG2 THR 30 -13.791 5.012 -12.669 178 2HG2 THR 30 2HG2 THR 30 -12.968 3.889 -11.588 179 3HG2 THR 30 3HG2 THR 30 -12.905 5.622 -11.272 180 H TYR 31 H TYR 31 -12.443 2.369 -10.191 181 HA TYR 31 HA TYR 31 -11.535 3.441 -7.546 182 1HB TYR 31 2HB TYR 31 -11.043 0.662 -8.656 183 2HB TYR 31 1HB TYR 31 -10.611 1.248 -7.049 184 HD1 TYR 31 HD1 TYR 31 -12.694 -0.978 -8.341 185 HD2 TYR 31 HD2 TYR 31 -12.987 2.752 -6.230 186 HE1 TYR 31 HE1 TYR 31 -14.934 -1.631 -7.498 187 HE2 TYR 31 HE2 TYR 31 -15.226 2.099 -5.387 188 HH TYR 31 HH TYR 31 -16.349 -0.671 -5.109 189 H TYR 32 H TYR 32 -9.074 3.282 -7.382 190 HA TYR 32 HA TYR 32 -7.785 3.607 -10.073 191 1HB TYR 32 2HB TYR 32 -7.562 5.208 -7.516 192 2HB TYR 32 1HB TYR 32 -6.388 5.350 -8.822 193 HD1 TYR 32 HD1 TYR 32 -8.020 5.125 -11.229 194 HD2 TYR 32 HD2 TYR 32 -8.848 7.171 -7.548 195 HE1 TYR 32 HE1 TYR 32 -9.541 6.672 -12.432 196 HE2 TYR 32 HE2 TYR 32 -10.369 8.719 -8.747 197 HH TYR 32 HH TYR 32 -10.726 9.548 -11.024 198 H ILE 33 H ILE 33 -6.266 2.006 -10.306 199 HA ILE 33 HA ILE 33 -5.072 0.791 -7.861 200 HB ILE 33 HB ILE 33 -6.184 -0.551 -9.676 201 1HG1 ILE 33 2HG1 ILE 33 -3.280 -1.293 -9.696 202 2HG1 ILE 33 1HG1 ILE 33 -4.115 -1.232 -8.144 203 1HG2 ILE 33 1HG2 ILE 33 -5.514 -0.431 -11.847 204 2HG2 ILE 33 2HG2 ILE 33 -3.809 -0.315 -11.413 205 3HG2 ILE 33 3HG2 ILE 33 -4.830 1.123 -11.370 206 1HD1 ILE 33 1HD1 ILE 33 -5.907 -2.705 -9.157 207 2HD1 ILE 33 2HD1 ILE 33 -4.334 -3.481 -8.971 208 3HD1 ILE 33 3HD1 ILE 33 -4.851 -2.906 -10.556 209 H ALA 34 H ALA 34 -3.052 1.420 -7.252 210 HA ALA 34 HA ALA 34 -1.033 2.097 -9.315 211 1HB ALA 34 1HB ALA 34 -1.781 4.004 -7.079 212 2HB ALA 34 2HB ALA 34 -2.410 4.146 -8.722 213 3HB ALA 34 3HB ALA 34 -0.680 4.317 -8.422 214 H GLN 35 H GLN 35 1.147 2.084 -8.415 215 HA GLN 35 HA GLN 35 1.324 0.655 -5.784 216 1HB GLN 35 2HB GLN 35 2.165 -0.690 -7.557 217 2HB GLN 35 1HB GLN 35 2.962 0.685 -8.325 218 1HG GLN 35 2HG GLN 35 4.448 0.856 -6.289 219 2HG GLN 35 1HG GLN 35 3.746 -0.662 -5.725 220 1HE2 GLN 35 1HE2 GLN 35 6.293 0.613 -7.562 221 2HE2 GLN 35 2HE2 GLN 35 6.709 -0.790 -8.423 222 H CYS 36 H CYS 36 2.720 1.523 -4.187 223 HA CYS 36 HA CYS 36 4.395 3.871 -4.903 224 1HB CYS 36 2HB CYS 36 2.139 3.867 -2.873 225 2HB CYS 36 1HB CYS 36 3.283 5.189 -3.093 226 H ALA 37 H ALA 37 5.828 4.493 -3.070 227 HA ALA 37 HA ALA 37 6.145 2.452 -0.916 228 1HB ALA 37 1HB ALA 37 7.530 1.569 -2.635 229 2HB ALA 37 2HB ALA 37 8.641 2.463 -1.600 230 3HB ALA 37 3HB ALA 37 8.087 3.170 -3.117 231 HA PRO 38 HA PRO 38 7.350 5.967 1.425 232 1HB PRO 38 2HB PRO 38 9.361 5.016 3.011 233 2HB PRO 38 1HB PRO 38 7.655 4.601 3.252 234 1HG PRO 38 2HG PRO 38 9.819 3.018 1.949 235 2HG PRO 38 1HG PRO 38 8.503 2.474 3.005 236 1HD PRO 38 2HD PRO 38 8.453 2.193 0.288 237 2HD PRO 38 1HD PRO 38 6.988 2.359 1.283 238 H VAL 39 H VAL 39 9.186 7.516 1.811 239 HA VAL 39 HA VAL 39 11.603 7.059 0.128 240 HB VAL 39 HB VAL 39 9.896 8.024 -1.355 241 1HG1 VAL 39 1HG1 VAL 39 9.456 10.598 -0.509 242 2HG1 VAL 39 2HG1 VAL 39 9.451 9.717 1.020 243 3HG1 VAL 39 3HG1 VAL 39 8.330 9.261 -0.264 244 1HG2 VAL 39 1HG2 VAL 39 11.845 8.931 -2.135 245 2HG2 VAL 39 2HG2 VAL 39 12.327 9.515 -0.543 246 3HG2 VAL 39 3HG2 VAL 39 11.168 10.432 -1.503 247 H GLY 40 H GLY 40 12.211 7.053 2.589 248 1HA GLY 40 2HA GLY 40 13.594 8.191 4.136 249 2HA GLY 40 1HA GLY 40 13.382 9.662 3.188 250 H GLY 41 H GLY 41 10.390 8.229 3.846 251 1HA GLY 41 2HA GLY 41 9.513 8.631 6.324 252 2HA GLY 41 1HA GLY 41 9.852 10.301 5.888 253 H GLN 42 H GLN 42 8.949 10.682 3.461 254 HA GLN 42 HA GLN 42 6.054 10.479 3.725 255 1HB GLN 42 2HB GLN 42 8.001 12.042 2.377 256 2HB GLN 42 1HB GLN 42 6.997 11.309 1.123 257 1HG GLN 42 2HG GLN 42 6.136 13.527 1.979 258 2HG GLN 42 1HG GLN 42 4.983 12.199 2.113 259 1HE2 GLN 42 1HE2 GLN 42 3.900 13.262 3.946 260 2HE2 GLN 42 2HE2 GLN 42 4.622 13.299 5.482 261 H ASP 43 H ASP 43 5.580 10.131 0.836 262 HA ASP 43 HA ASP 43 6.454 7.346 0.303 263 1HB ASP 43 2HB ASP 43 3.676 8.296 0.977 264 2HB ASP 43 1HB ASP 43 3.902 6.878 -0.047 265 H ALA 44 H ALA 44 7.127 7.484 -1.807 266 HA ALA 44 HA ALA 44 5.981 9.481 -3.639 267 1HB ALA 44 1HB ALA 44 8.144 9.307 -4.291 268 2HB ALA 44 2HB ALA 44 7.727 7.744 -4.993 269 3HB ALA 44 3HB ALA 44 8.359 7.832 -3.349 270 H CYS 45 H CYS 45 5.448 8.574 -5.955 271 HA CYS 45 HA CYS 45 4.092 5.913 -5.775 272 1HB CYS 45 2HB CYS 45 2.934 8.630 -6.195 273 2HB CYS 45 1HB CYS 45 2.225 7.293 -7.101 274 H ASN 46 H ASN 46 3.707 4.927 -7.861 275 HA ASN 46 HA ASN 46 5.635 5.769 -9.937 276 1HB ASN 46 2HB ASN 46 4.877 3.384 -8.899 277 2HB ASN 46 1HB ASN 46 3.798 3.458 -10.293 278 1HD2 ASN 46 1HD2 ASN 46 5.065 4.246 -12.407 279 2HD2 ASN 46 2HD2 ASN 46 6.572 3.503 -12.654 280 HA PRO 47 HA PRO 47 2.156 7.652 -12.039 281 1HB PRO 47 2HB PRO 47 3.654 9.211 -13.699 282 2HB PRO 47 1HB PRO 47 3.334 9.632 -12.006 283 1HG PRO 47 2HG PRO 47 5.807 8.633 -13.253 284 2HG PRO 47 1HG PRO 47 5.589 9.580 -11.775 285 1HD PRO 47 2HD PRO 47 6.082 6.789 -11.969 286 2HD PRO 47 1HD PRO 47 5.698 7.716 -10.502 287 H ALA 48 H ALA 48 4.972 6.137 -13.548 288 HA ALA 48 HA ALA 48 3.909 5.952 -16.222 289 1HB ALA 48 1HB ALA 48 6.307 5.630 -15.147 290 2HB ALA 48 2HB ALA 48 5.867 4.752 -16.612 291 3HB ALA 48 3HB ALA 48 5.800 3.944 -15.045 292 H THR 49 H THR 49 3.015 4.351 -13.343 293 HA THR 49 HA THR 49 1.691 2.174 -14.936 294 HB THR 49 HB THR 49 2.015 0.796 -12.874 295 HG1 THR 49 HG1 THR 49 2.900 1.656 -11.148 296 1HG2 THR 49 1HG2 THR 49 4.759 1.382 -13.116 297 2HG2 THR 49 2HG2 THR 49 4.047 1.763 -14.683 298 3HG2 THR 49 3HG2 THR 49 3.851 0.151 -13.995 299 H ALA 50 H ALA 50 0.748 4.924 -13.966 300 HA ALA 50 HA ALA 50 -1.248 4.288 -11.894 301 1HB ALA 50 1HB ALA 50 -0.351 6.681 -13.479 302 2HB ALA 50 2HB ALA 50 -0.344 6.446 -11.731 303 3HB ALA 50 3HB ALA 50 -1.863 6.751 -12.573 304 H THR 51 H THR 51 -2.966 3.052 -12.630 305 HA THR 51 HA THR 51 -4.338 3.978 -15.114 306 HB THR 51 HB THR 51 -3.002 1.936 -15.493 307 HG1 THR 51 HG1 THR 51 -5.052 2.181 -16.513 308 1HG2 THR 51 1HG2 THR 51 -3.295 -0.041 -14.223 309 2HG2 THR 51 2HG2 THR 51 -4.784 0.553 -13.490 310 3HG2 THR 51 3HG2 THR 51 -3.234 1.246 -13.020 311 H SER 52 H SER 52 -6.676 3.547 -15.119 312 HA SER 52 HA SER 52 -7.798 3.052 -12.380 313 1HB SER 52 2HB SER 52 -9.356 4.843 -12.820 314 2HB SER 52 1HB SER 52 -7.743 5.444 -13.191 315 HG SER 52 HG SER 52 -9.608 5.702 -14.779 316 H PHE 53 H PHE 53 -9.860 2.004 -12.340 317 HA PHE 53 HA PHE 53 -10.976 1.002 -14.906 318 1HB PHE 53 2HB PHE 53 -10.826 -1.325 -14.050 319 2HB PHE 53 1HB PHE 53 -9.228 -0.590 -14.186 320 HD1 PHE 53 HD1 PHE 53 -8.326 0.634 -12.058 321 HD2 PHE 53 HD2 PHE 53 -11.493 -2.268 -12.012 322 HE1 PHE 53 HE1 PHE 53 -7.941 0.253 -9.639 323 HE2 PHE 53 HE2 PHE 53 -11.107 -2.650 -9.593 324 HZ PHE 53 HZ PHE 53 -9.333 -1.389 -8.405 325 H THR 54 H THR 54 -12.995 -0.508 -14.175 326 HA THR 54 HA THR 54 -14.278 0.627 -11.746 327 HB THR 54 HB THR 54 -15.613 0.553 -14.461 328 HG1 THR 54 HG1 THR 54 -13.938 2.002 -14.608 329 1HG2 THR 54 1HG2 THR 54 -16.271 2.176 -11.994 330 2HG2 THR 54 2HG2 THR 54 -17.000 0.607 -12.340 331 3HG2 THR 54 3HG2 THR 54 -17.266 1.964 -13.435 332 H THR 55 H THR 55 -16.224 -0.642 -11.101 333 HA THR 55 HA THR 55 -15.816 -3.482 -11.298 334 HB THR 55 HB THR 55 -18.129 -3.465 -10.219 335 HG1 THR 55 HG1 THR 55 -18.773 -1.299 -9.634 336 1HG2 THR 55 1HG2 THR 55 -15.976 -1.657 -9.136 337 2HG2 THR 55 2HG2 THR 55 -16.135 -3.393 -8.857 338 3HG2 THR 55 3HG2 THR 55 -17.329 -2.277 -8.191 339 H ASP 56 H ASP 56 -18.570 -4.335 -11.740 340 HA ASP 56 HA ASP 56 -19.288 -3.490 -14.479 341 1HB ASP 56 2HB ASP 56 -17.529 -5.750 -13.877 342 2HB ASP 56 1HB ASP 56 -18.939 -6.238 -14.817 343 H ALA 57 H ALA 57 -20.733 -5.851 -15.152 344 HA ALA 57 HA ALA 57 -23.159 -5.486 -13.724 345 1HB ALA 57 1HB ALA 57 -22.028 -7.645 -15.500 346 2HB ALA 57 2HB ALA 57 -23.201 -6.396 -15.920 347 3HB ALA 57 3HB ALA 57 -23.676 -7.736 -14.875 348 H SER 58 H SER 58 -20.749 -8.089 -13.487 349 HA SER 58 HA SER 58 -22.098 -9.266 -11.157 350 1HB SER 58 2HB SER 58 -20.317 -10.055 -13.180 351 2HB SER 58 1HB SER 58 -19.368 -10.128 -11.699 352 HG SER 58 HG SER 58 -20.869 -11.510 -10.828 353 H GLY 59 H GLY 59 -20.484 -6.477 -11.426 354 1HA GLY 59 2HA GLY 59 -19.187 -5.153 -9.985 355 2HA GLY 59 1HA GLY 59 -19.860 -6.147 -8.693 356 H ALA 60 H ALA 60 -17.606 -6.857 -11.378 357 HA ALA 60 HA ALA 60 -15.572 -7.662 -9.346 358 1HB ALA 60 1HB ALA 60 -15.324 -9.548 -11.340 359 2HB ALA 60 2HB ALA 60 -17.069 -9.301 -11.280 360 3HB ALA 60 3HB ALA 60 -16.198 -9.799 -9.829 361 H ALA 61 H ALA 61 -13.382 -7.530 -10.142 362 HA ALA 61 HA ALA 61 -13.033 -6.374 -12.873 363 1HB ALA 61 1HB ALA 61 -11.414 -5.163 -10.727 364 2HB ALA 61 2HB ALA 61 -13.146 -4.860 -10.587 365 3HB ALA 61 3HB ALA 61 -12.283 -4.387 -12.050 366 H SER 62 H SER 62 -12.133 -8.588 -13.247 367 HA SER 62 HA SER 62 -9.504 -9.088 -11.924 368 1HB SER 62 2HB SER 62 -11.147 -10.878 -13.726 369 2HB SER 62 1HB SER 62 -9.851 -11.365 -12.638 370 HG SER 62 HG SER 62 -11.171 -10.671 -10.903 371 H PHE 63 H PHE 63 -7.748 -8.371 -13.086 372 HA PHE 63 HA PHE 63 -7.645 -8.854 -16.008 373 1HB PHE 63 2HB PHE 63 -7.150 -6.418 -16.404 374 2HB PHE 63 1HB PHE 63 -8.797 -6.721 -15.851 375 HD1 PHE 63 HD1 PHE 63 -9.313 -6.473 -13.359 376 HD2 PHE 63 HD2 PHE 63 -5.683 -5.045 -15.160 377 HE1 PHE 63 HE1 PHE 63 -8.925 -4.995 -11.404 378 HE2 PHE 63 HE2 PHE 63 -5.292 -3.568 -13.206 379 HZ PHE 63 HZ PHE 63 -6.913 -3.542 -11.328 380 H SER 64 H SER 64 -5.451 -7.878 -16.845 381 HA SER 64 HA SER 64 -3.323 -8.805 -14.983 382 1HB SER 64 2HB SER 64 -3.880 -8.785 -17.821 383 2HB SER 64 1HB SER 64 -2.297 -8.080 -17.514 384 HG SER 64 HG SER 64 -3.134 -10.480 -16.277 385 H PHE 65 H PHE 65 -1.950 -7.379 -14.014 386 HA PHE 65 HA PHE 65 -1.921 -4.535 -14.975 387 1HB PHE 65 2HB PHE 65 -3.103 -4.760 -12.871 388 2HB PHE 65 1HB PHE 65 -1.818 -5.772 -12.208 389 HD1 PHE 65 HD1 PHE 65 -2.304 -2.393 -13.762 390 HD2 PHE 65 HD2 PHE 65 -0.182 -4.776 -10.888 391 HE1 PHE 65 HE1 PHE 65 -1.126 -0.366 -12.952 392 HE2 PHE 65 HE2 PHE 65 0.997 -2.751 -10.077 393 HZ PHE 65 HZ PHE 65 0.520 -0.551 -11.113 394 H VAL 66 H VAL 66 0.170 -3.703 -15.319 395 HA VAL 66 HA VAL 66 2.412 -5.620 -15.054 396 HB VAL 66 HB VAL 66 2.535 -2.793 -16.083 397 1HG1 VAL 66 1HG1 VAL 66 4.316 -3.637 -17.444 398 2HG1 VAL 66 2HG1 VAL 66 3.909 -5.306 -17.048 399 3HG1 VAL 66 3HG1 VAL 66 4.594 -4.249 -15.813 400 1HG2 VAL 66 1HG2 VAL 66 1.828 -3.623 -18.286 401 2HG2 VAL 66 2HG2 VAL 66 0.555 -3.917 -17.108 402 3HG2 VAL 66 3HG2 VAL 66 1.598 -5.239 -17.622 403 H VAL 67 H VAL 67 4.355 -5.091 -13.919 404 HA VAL 67 HA VAL 67 4.179 -2.811 -11.978 405 HB VAL 67 HB VAL 67 4.937 -4.421 -10.215 406 1HG1 VAL 67 1HG1 VAL 67 2.402 -3.994 -11.189 407 2HG1 VAL 67 2HG1 VAL 67 2.769 -4.891 -9.715 408 3HG1 VAL 67 3HG1 VAL 67 2.514 -5.751 -11.229 409 1HG2 VAL 67 1HG2 VAL 67 5.973 -6.046 -11.799 410 2HG2 VAL 67 2HG2 VAL 67 4.361 -6.492 -12.359 411 3HG2 VAL 67 3HG2 VAL 67 4.839 -6.821 -10.692 412 H ARG 68 H ARG 68 6.273 -2.039 -11.281 413 HA ARG 68 HA ARG 68 8.551 -2.988 -12.989 414 1HB ARG 68 2HB ARG 68 7.760 -0.344 -11.757 415 2HB ARG 68 1HB ARG 68 9.390 -0.619 -12.371 416 1HG ARG 68 2HG ARG 68 7.742 -1.557 -14.410 417 2HG ARG 68 1HG ARG 68 6.925 -0.102 -13.837 418 1HD ARG 68 2HD ARG 68 8.473 1.216 -14.832 419 2HD ARG 68 1HD ARG 68 9.790 0.350 -14.013 420 HE ARG 68 HE ARG 68 9.000 -1.451 -15.931 421 1HH1 ARG 68 1HH1 ARG 68 11.297 0.820 -15.829 422 2HH1 ARG 68 2HH1 ARG 68 11.260 1.271 -17.499 423 1HH2 ARG 68 1HH2 ARG 68 8.295 -0.402 -18.158 424 2HH2 ARG 68 2HH2 ARG 68 9.560 0.580 -18.820 425 H LYS 69 H LYS 69 10.731 -2.304 -11.821 426 HA LYS 69 HA LYS 69 10.692 -3.564 -9.117 427 1HB LYS 69 2HB LYS 69 12.132 -4.164 -11.285 428 2HB LYS 69 1HB LYS 69 13.165 -2.876 -10.664 429 1HG LYS 69 2HG LYS 69 13.210 -4.045 -8.453 430 2HG LYS 69 1HG LYS 69 12.304 -5.373 -9.180 431 1HD LYS 69 2HD LYS 69 14.078 -5.925 -10.655 432 2HD LYS 69 1HD LYS 69 14.900 -4.391 -10.368 433 1HE LYS 69 2HE LYS 69 14.439 -6.383 -8.133 434 2HE LYS 69 1HE LYS 69 15.887 -6.433 -9.159 435 1HZ LYS 69 1HZ LYS 69 14.924 -4.142 -7.534 436 2HZ LYS 69 2HZ LYS 69 16.173 -4.025 -8.680 437 3HZ LYS 69 3HZ LYS 69 16.359 -5.016 -7.313 438 H SER 70 H SER 70 11.518 -0.645 -10.868 439 HA SER 70 HA SER 70 11.777 0.855 -8.323 440 1HB SER 70 2HB SER 70 14.007 -0.168 -9.404 441 2HB SER 70 1HB SER 70 13.883 1.277 -10.404 442 HG SER 70 HG SER 70 14.125 2.521 -8.652 443 H TYR 71 H TYR 71 11.760 3.266 -8.814 444 HA TYR 71 HA TYR 71 11.170 4.178 -11.507 445 1HB TYR 71 2HB TYR 71 8.799 4.373 -11.346 446 2HB TYR 71 1HB TYR 71 9.147 2.774 -10.684 447 HD1 TYR 71 HD1 TYR 71 8.236 6.255 -9.856 448 HD2 TYR 71 HD2 TYR 71 8.919 2.311 -8.308 449 HE1 TYR 71 HE1 TYR 71 7.212 6.926 -7.701 450 HE2 TYR 71 HE2 TYR 71 7.889 2.980 -6.150 451 HH TYR 71 HH TYR 71 6.559 4.584 -5.168 452 H THR 72 H THR 72 10.797 6.521 -11.529 453 HA THR 72 HA THR 72 12.133 7.937 -9.383 454 HB THR 72 HB THR 72 10.413 9.049 -11.604 455 HG1 THR 72 HG1 THR 72 12.317 8.913 -12.853 456 1HG2 THR 72 1HG2 THR 72 11.891 10.945 -11.481 457 2HG2 THR 72 2HG2 THR 72 12.958 10.099 -10.358 458 3HG2 THR 72 3HG2 THR 72 11.345 10.588 -9.842 459 H GLY 73 H GLY 73 11.235 9.041 -7.655 460 1HA GLY 73 2HA GLY 73 8.259 8.924 -7.388 461 2HA GLY 73 1HA GLY 73 9.385 9.001 -6.032 462 H SER 74 H SER 74 7.258 10.838 -6.280 463 HA SER 74 HA SER 74 8.801 13.373 -6.482 464 1HB SER 74 2HB SER 74 7.942 13.168 -8.694 465 2HB SER 74 1HB SER 74 6.390 12.564 -8.119 466 HG SER 74 HG SER 74 6.848 14.979 -8.736 467 H THR 75 H THR 75 7.413 15.232 -5.612 468 HA THR 75 HA THR 75 5.832 14.257 -3.291 469 HB THR 75 HB THR 75 6.129 16.727 -2.668 470 HG1 THR 75 HG1 THR 75 7.989 17.575 -3.952 471 1HG2 THR 75 1HG2 THR 75 8.663 15.167 -3.222 472 2HG2 THR 75 2HG2 THR 75 7.584 14.847 -1.864 473 3HG2 THR 75 3HG2 THR 75 8.426 16.393 -1.976 474 HA PRO 76 HA PRO 76 2.020 15.638 -4.968 475 1HB PRO 76 2HB PRO 76 0.702 16.448 -2.718 476 2HB PRO 76 1HB PRO 76 1.013 14.741 -3.094 477 1HG PRO 76 2HG PRO 76 2.408 16.541 -1.187 478 2HG PRO 76 1HG PRO 76 2.064 14.810 -1.063 479 1HD PRO 76 2HD PRO 76 4.517 15.876 -1.751 480 2HD PRO 76 1HD PRO 76 3.982 14.229 -2.152 481 H GLU 77 H GLU 77 4.032 17.845 -3.202 482 HA GLU 77 HA GLU 77 2.391 20.221 -3.641 483 1HB GLU 77 2HB GLU 77 4.154 19.693 -1.819 484 2HB GLU 77 1HB GLU 77 5.346 20.121 -3.049 485 1HG GLU 77 2HG GLU 77 3.178 22.069 -2.904 486 2HG GLU 77 1HG GLU 77 4.025 21.905 -1.365 487 H GLY 78 H GLY 78 5.175 18.714 -5.238 488 1HA GLY 78 2HA GLY 78 5.113 19.059 -7.772 489 2HA GLY 78 1HA GLY 78 4.948 20.775 -7.396 490 H THR 79 H THR 79 7.061 18.218 -6.073 491 HA THR 79 HA THR 79 9.443 19.676 -7.085 492 HB THR 79 HB THR 79 8.568 19.335 -4.223 493 HG1 THR 79 HG1 THR 79 9.369 21.490 -4.181 494 1HG2 THR 79 1HG2 THR 79 10.899 19.835 -3.510 495 2HG2 THR 79 2HG2 THR 79 11.428 19.645 -5.181 496 3HG2 THR 79 3HG2 THR 79 10.767 18.265 -4.303 497 HA PRO 80 HA PRO 80 10.621 15.431 -7.512 498 1HB PRO 80 2HB PRO 80 13.204 15.857 -8.303 499 2HB PRO 80 1HB PRO 80 11.811 16.098 -9.377 500 1HG PRO 80 2HG PRO 80 13.426 18.110 -7.898 501 2HG PRO 80 1HG PRO 80 12.693 18.210 -9.507 502 1HD PRO 80 2HD PRO 80 11.634 19.382 -7.258 503 2HD PRO 80 1HD PRO 80 10.681 18.917 -8.685 504 H VAL 81 H VAL 81 12.098 13.911 -6.439 505 HA VAL 81 HA VAL 81 13.516 15.056 -4.062 506 HB VAL 81 HB VAL 81 11.871 12.515 -4.183 507 1HG1 VAL 81 1HG1 VAL 81 13.794 12.932 -2.450 508 2HG1 VAL 81 2HG1 VAL 81 12.234 12.340 -1.877 509 3HG1 VAL 81 3HG1 VAL 81 12.643 14.047 -1.712 510 1HG2 VAL 81 1HG2 VAL 81 10.271 14.235 -4.431 511 2HG2 VAL 81 2HG2 VAL 81 11.175 15.347 -3.403 512 3HG2 VAL 81 3HG2 VAL 81 10.324 13.978 -2.687 513 H GLY 82 H GLY 82 13.143 12.170 -6.119 514 1HA GLY 82 2HA GLY 82 15.773 11.835 -6.908 515 2HA GLY 82 1HA GLY 82 15.711 11.067 -5.320 516 H SER 83 H SER 83 16.108 9.004 -6.394 517 HA SER 83 HA SER 83 13.828 7.986 -8.027 518 1HB SER 83 2HB SER 83 15.602 6.136 -8.391 519 2HB SER 83 1HB SER 83 15.893 7.707 -9.126 520 HG SER 83 HG SER 83 17.372 6.394 -7.336 521 H VAL 84 H VAL 84 12.568 6.344 -7.227 522 HA VAL 84 HA VAL 84 13.075 5.440 -4.434 523 HB VAL 84 HB VAL 84 10.681 5.291 -6.298 524 1HG1 VAL 84 1HG1 VAL 84 10.733 3.437 -4.652 525 2HG1 VAL 84 2HG1 VAL 84 9.429 4.573 -4.310 526 3HG1 VAL 84 3HG1 VAL 84 10.907 4.613 -3.350 527 1HG2 VAL 84 1HG2 VAL 84 11.296 7.573 -5.509 528 2HG2 VAL 84 2HG2 VAL 84 11.208 7.000 -3.843 529 3HG2 VAL 84 3HG2 VAL 84 9.755 7.036 -4.843 530 H ASP 85 H ASP 85 12.764 3.091 -3.984 531 HA ASP 85 HA ASP 85 12.918 1.269 -6.311 532 1HB ASP 85 2HB ASP 85 15.220 2.213 -5.721 533 2HB ASP 85 1HB ASP 85 15.091 1.310 -4.211 534 H CYS 86 H CYS 86 11.946 -0.664 -5.811 535 HA CYS 86 HA CYS 86 11.032 -1.074 -3.016 536 1HB CYS 86 2HB CYS 86 10.365 -2.247 -5.726 537 2HB CYS 86 1HB CYS 86 9.672 -2.874 -4.231 538 H ALA 87 H ALA 87 13.832 -1.713 -4.391 539 HA ALA 87 HA ALA 87 14.025 -4.623 -3.890 540 1HB ALA 87 1HB ALA 87 16.073 -4.419 -5.026 541 2HB ALA 87 2HB ALA 87 16.293 -2.746 -4.515 542 3HB ALA 87 3HB ALA 87 15.108 -3.139 -5.760 543 H THR 88 H THR 88 15.419 -1.593 -2.592 544 HA THR 88 HA THR 88 16.543 -3.106 -0.285 545 HB THR 88 HB THR 88 17.889 -1.478 -1.651 546 HG1 THR 88 HG1 THR 88 18.776 -0.496 0.158 547 1HG2 THR 88 1HG2 THR 88 15.565 0.098 -1.306 548 2HG2 THR 88 2HG2 THR 88 17.053 0.548 -2.140 549 3HG2 THR 88 3HG2 THR 88 16.857 0.914 -0.426 550 H ALA 89 H ALA 89 13.877 -1.086 -1.131 551 HA ALA 89 HA ALA 89 13.319 -0.475 1.736 552 1HB ALA 89 1HB ALA 89 13.485 1.292 -0.156 553 2HB ALA 89 2HB ALA 89 12.090 1.380 0.920 554 3HB ALA 89 3HB ALA 89 11.923 0.664 -0.684 555 H ALA 90 H ALA 90 10.477 0.045 0.863 556 HA ALA 90 HA ALA 90 9.559 -2.808 0.714 557 1HB ALA 90 1HB ALA 90 8.239 -0.473 2.124 558 2HB ALA 90 2HB ALA 90 9.349 -1.587 2.923 559 3HB ALA 90 3HB ALA 90 7.821 -2.180 2.272 560 H CYS 91 H CYS 91 7.527 -3.117 -0.432 561 HA CYS 91 HA CYS 91 6.689 -0.816 -2.164 562 1HB CYS 91 2HB CYS 91 8.228 -2.919 -2.976 563 2HB CYS 91 1HB CYS 91 6.615 -3.557 -3.291 564 H ASN 92 H ASN 92 4.507 -0.487 -1.954 565 HA ASN 92 HA ASN 92 2.770 -2.853 -1.341 566 1HB ASN 92 2HB ASN 92 1.543 -1.266 0.210 567 2HB ASN 92 1HB ASN 92 3.181 -1.663 0.726 568 1HD2 ASN 92 1HD2 ASN 92 4.162 0.197 1.531 569 2HD2 ASN 92 2HD2 ASN 92 4.030 1.743 0.843 570 H LEU 93 H LEU 93 0.889 -2.885 -2.548 571 HA LEU 93 HA LEU 93 0.384 -0.565 -4.364 572 1HB LEU 93 2HB LEU 93 0.902 -2.651 -5.484 573 2HB LEU 93 1HB LEU 93 -0.260 -3.526 -4.486 574 HG LEU 93 HG LEU 93 -1.839 -1.557 -5.548 575 1HD1 LEU 93 1HD1 LEU 93 -1.271 -1.663 -8.032 576 2HD1 LEU 93 2HD1 LEU 93 0.306 -2.291 -7.553 577 3HD1 LEU 93 3HD1 LEU 93 -0.192 -0.676 -7.047 578 1HD2 LEU 93 1HD2 LEU 93 -2.280 -4.011 -5.424 579 2HD2 LEU 93 2HD2 LEU 93 -1.226 -4.246 -6.818 580 3HD2 LEU 93 3HD2 LEU 93 -2.722 -3.329 -6.989 581 H GLY 94 H GLY 94 -1.609 0.471 -4.233 582 1HA GLY 94 2HA GLY 94 -3.714 -0.812 -2.549 583 2HA GLY 94 1HA GLY 94 -3.252 0.864 -2.254 584 H ALA 95 H ALA 95 -5.881 0.075 -2.985 585 HA ALA 95 HA ALA 95 -6.095 1.444 -5.639 586 1HB ALA 95 1HB ALA 95 -7.717 -0.926 -4.669 587 2HB ALA 95 2HB ALA 95 -6.336 -1.053 -5.758 588 3HB ALA 95 3HB ALA 95 -7.787 -0.190 -6.269 589 H GLY 96 H GLY 96 -8.129 2.613 -5.903 590 1HA GLY 96 2HA GLY 96 -10.384 2.905 -4.546 591 2HA GLY 96 1HA GLY 96 -9.272 3.473 -3.298 592 H ASN 97 H ASN 97 -11.239 5.177 -4.376 593 HA ASN 97 HA ASN 97 -9.518 7.143 -5.814 594 1HB ASN 97 2HB ASN 97 -11.327 7.608 -7.317 595 2HB ASN 97 1HB ASN 97 -11.198 5.851 -7.240 596 1HD2 ASN 97 1HD2 ASN 97 -13.586 7.877 -7.588 597 2HD2 ASN 97 2HD2 ASN 97 -14.744 7.276 -6.504 598 H SER 98 H SER 98 -11.763 9.032 -5.923 599 HA SER 98 HA SER 98 -11.595 10.025 -3.147 600 1HB SER 98 2HB SER 98 -12.821 11.976 -4.412 601 2HB SER 98 1HB SER 98 -11.115 11.679 -4.731 602 HG SER 98 HG SER 98 -12.247 11.829 -6.676 603 H GLY 99 H GLY 99 -13.112 8.708 -2.006 604 1HA GLY 99 2HA GLY 99 -15.556 9.257 -1.333 605 2HA GLY 99 1HA GLY 99 -15.926 8.801 -2.997 606 H LEU 100 H LEU 100 -13.620 6.741 -2.680 607 HA LEU 100 HA LEU 100 -14.831 4.801 -0.804 608 1HB LEU 100 2HB LEU 100 -16.197 4.700 -2.869 609 2HB LEU 100 1HB LEU 100 -14.738 4.384 -3.808 610 HG LEU 100 HG LEU 100 -15.463 2.622 -1.474 611 1HD1 LEU 100 1HD1 LEU 100 -16.393 1.117 -3.421 612 2HD1 LEU 100 2HD1 LEU 100 -16.639 2.661 -4.238 613 3HD1 LEU 100 3HD1 LEU 100 -17.431 2.344 -2.696 614 1HD2 LEU 100 1HD2 LEU 100 -13.507 1.710 -2.134 615 2HD2 LEU 100 2HD2 LEU 100 -13.455 2.719 -3.579 616 3HD2 LEU 100 3HD2 LEU 100 -14.330 1.188 -3.602 617 H ASP 101 H ASP 101 -13.412 3.025 -0.385 618 HA ASP 101 HA ASP 101 -10.737 3.108 -1.729 619 1HB ASP 101 2HB ASP 101 -9.856 2.699 0.659 620 2HB ASP 101 1HB ASP 101 -10.456 4.320 0.307 621 H LEU 102 H LEU 102 -9.536 1.025 -1.402 622 HA LEU 102 HA LEU 102 -11.422 -1.269 -0.974 623 1HB LEU 102 2HB LEU 102 -9.082 -0.865 -2.858 624 2HB LEU 102 1HB LEU 102 -9.928 -2.401 -2.663 625 HG LEU 102 HG LEU 102 -11.362 0.166 -3.370 626 1HD1 LEU 102 1HD1 LEU 102 -11.406 -1.092 -5.695 627 2HD1 LEU 102 2HD1 LEU 102 -9.915 -1.816 -5.094 628 3HD1 LEU 102 3HD1 LEU 102 -10.039 -0.065 -5.267 629 1HD2 LEU 102 1HD2 LEU 102 -12.685 -1.713 -2.406 630 2HD2 LEU 102 2HD2 LEU 102 -12.100 -2.761 -3.699 631 3HD2 LEU 102 3HD2 LEU 102 -13.128 -1.380 -4.082 632 H GLY 103 H GLY 103 -7.945 -1.423 -1.468 633 1HA GLY 103 2HA GLY 103 -7.253 -1.686 1.328 634 2HA GLY 103 1HA GLY 103 -7.391 -3.265 0.551 635 H HIS 104 H HIS 104 -4.986 -3.215 1.175 636 HA HIS 104 HA HIS 104 -3.456 -2.232 -1.189 637 1HB HIS 104 2HB HIS 104 -2.691 -1.819 1.721 638 2HB HIS 104 1HB HIS 104 -1.780 -1.262 0.317 639 HD1 HIS 104 HD1 HIS 104 -2.390 0.992 -0.599 640 HD2 HIS 104 HD2 HIS 104 -5.366 -0.528 1.893 641 HE1 HIS 104 HE1 HIS 104 -4.113 2.831 -0.335 642 H VAL 105 H VAL 105 -2.391 -4.003 -1.978 643 HA VAL 105 HA VAL 105 -1.891 -6.336 -0.234 644 HB VAL 105 HB VAL 105 -1.445 -5.769 -3.184 645 1HG1 VAL 105 1HG1 VAL 105 -1.466 -8.445 -1.768 646 2HG1 VAL 105 2HG1 VAL 105 0.017 -7.568 -2.144 647 3HG1 VAL 105 3HG1 VAL 105 -1.036 -8.120 -3.447 648 1HG2 VAL 105 1HG2 VAL 105 -3.453 -7.201 -3.460 649 2HG2 VAL 105 2HG2 VAL 105 -3.811 -5.754 -2.517 650 3HG2 VAL 105 3HG2 VAL 105 -3.605 -7.306 -1.706 651 H ALA 106 H ALA 106 0.102 -6.708 0.689 652 HA ALA 106 HA ALA 106 2.284 -4.820 0.306 653 1HB ALA 106 1HB ALA 106 3.322 -6.122 2.036 654 2HB ALA 106 2HB ALA 106 2.311 -7.519 1.673 655 3HB ALA 106 3HB ALA 106 1.599 -6.082 2.408 656 H LEU 107 H LEU 107 3.478 -4.914 -1.563 657 HA LEU 107 HA LEU 107 3.875 -7.467 -2.988 658 1HB LEU 107 2HB LEU 107 4.616 -4.567 -3.438 659 2HB LEU 107 1HB LEU 107 5.134 -5.849 -4.533 660 HG LEU 107 HG LEU 107 2.247 -5.322 -3.781 661 1HD1 LEU 107 1HD1 LEU 107 3.604 -4.699 -6.413 662 2HD1 LEU 107 2HD1 LEU 107 3.417 -3.496 -5.136 663 3HD1 LEU 107 3HD1 LEU 107 1.992 -4.215 -5.885 664 1HD2 LEU 107 1HD2 LEU 107 2.817 -6.734 -6.268 665 2HD2 LEU 107 2HD2 LEU 107 1.770 -7.210 -4.931 666 3HD2 LEU 107 3HD2 LEU 107 3.494 -7.575 -4.874 667 H THR 108 H THR 108 6.232 -7.861 -3.770 668 HA THR 108 HA THR 108 8.378 -6.962 -1.983 669 HB THR 108 HB THR 108 7.777 -9.906 -1.957 670 HG1 THR 108 HG1 THR 108 6.316 -9.650 -0.383 671 1HG2 THR 108 1HG2 THR 108 9.905 -8.924 -1.039 672 2HG2 THR 108 2HG2 THR 108 8.957 -9.817 0.150 673 3HG2 THR 108 3HG2 THR 108 8.928 -8.053 0.143 674 H PHE 109 H PHE 109 10.486 -7.838 -2.701 675 HA PHE 109 HA PHE 109 10.385 -9.074 -5.431 676 1HB PHE 109 2HB PHE 109 11.708 -6.612 -4.366 677 2HB PHE 109 1HB PHE 109 12.546 -7.521 -5.624 678 HD1 PHE 109 HD1 PHE 109 11.844 -7.425 -7.884 679 HD2 PHE 109 HD2 PHE 109 9.308 -5.875 -4.782 680 HE1 PHE 109 HE1 PHE 109 10.341 -6.451 -9.601 681 HE2 PHE 109 HE2 PHE 109 7.806 -4.901 -6.498 682 HZ PHE 109 HZ PHE 109 8.321 -5.189 -8.908 683 H GLY 110 H GLY 110 12.476 -10.161 -6.005 684 1HA GLY 110 2HA GLY 110 13.502 -11.658 -3.691 685 2HA GLY 110 1HA GLY 110 13.883 -11.976 -5.385 Start of MODEL 16 1 1H ALA 1 1H ALA 1 -16.618 -4.279 3.286 2 2H ALA 1 2H ALA 1 -16.270 -2.841 2.453 3 3H ALA 1 3H ALA 1 -15.785 -3.024 4.070 4 HA ALA 1 HA ALA 1 -13.933 -3.308 2.451 5 1HB ALA 1 1HB ALA 1 -13.408 -4.259 4.467 6 2HB ALA 1 2HB ALA 1 -13.590 -5.765 3.567 7 3HB ALA 1 3HB ALA 1 -14.923 -5.157 4.547 8 HA PRO 2 HA PRO 2 -15.697 -5.757 -0.934 9 1HB PRO 2 2HB PRO 2 -14.055 -4.700 -2.854 10 2HB PRO 2 1HB PRO 2 -15.543 -3.899 -2.304 11 1HG PRO 2 2HG PRO 2 -12.709 -3.343 -1.581 12 2HG PRO 2 1HG PRO 2 -14.053 -2.218 -1.824 13 1HD PRO 2 2HD PRO 2 -13.129 -2.991 0.642 14 2HD PRO 2 1HD PRO 2 -14.789 -2.434 0.332 15 H ALA 3 H ALA 3 -13.827 -6.533 -2.960 16 HA ALA 3 HA ALA 3 -11.899 -8.187 -1.365 17 1HB ALA 3 1HB ALA 3 -12.544 -10.014 -2.632 18 2HB ALA 3 2HB ALA 3 -12.930 -9.026 -4.041 19 3HB ALA 3 3HB ALA 3 -14.046 -9.089 -2.677 20 H PHE 4 H PHE 4 -9.770 -8.078 -1.995 21 HA PHE 4 HA PHE 4 -9.052 -7.147 -4.721 22 1HB PHE 4 2HB PHE 4 -9.392 -5.146 -3.248 23 2HB PHE 4 1HB PHE 4 -8.142 -5.771 -2.170 24 HD1 PHE 4 HD1 PHE 4 -8.730 -4.863 -5.757 25 HD2 PHE 4 HD2 PHE 4 -5.887 -5.228 -2.557 26 HE1 PHE 4 HE1 PHE 4 -6.990 -3.835 -7.188 27 HE2 PHE 4 HE2 PHE 4 -4.146 -4.199 -3.991 28 HZ PHE 4 HZ PHE 4 -4.697 -3.502 -6.307 29 H SER 5 H SER 5 -7.617 -8.785 -5.304 30 HA SER 5 HA SER 5 -5.332 -9.319 -3.468 31 1HB SER 5 2HB SER 5 -7.627 -11.059 -3.958 32 2HB SER 5 1HB SER 5 -6.098 -11.859 -4.302 33 HG SER 5 HG SER 5 -7.085 -10.786 -1.903 34 H VAL 6 H VAL 6 -3.542 -10.385 -4.552 35 HA VAL 6 HA VAL 6 -3.674 -10.226 -7.552 36 HB VAL 6 HB VAL 6 -2.312 -8.538 -6.135 37 1HG1 VAL 6 1HG1 VAL 6 -1.435 -10.669 -4.785 38 2HG1 VAL 6 2HG1 VAL 6 -0.431 -9.234 -4.992 39 3HG1 VAL 6 3HG1 VAL 6 -0.188 -10.637 -6.032 40 1HG2 VAL 6 1HG2 VAL 6 -0.272 -8.843 -7.701 41 2HG2 VAL 6 2HG2 VAL 6 -1.844 -8.587 -8.455 42 3HG2 VAL 6 3HG2 VAL 6 -1.162 -10.206 -8.370 43 H SER 7 H SER 7 -2.079 -11.780 -8.624 44 HA SER 7 HA SER 7 -2.338 -14.448 -7.505 45 1HB SER 7 2HB SER 7 -1.485 -13.117 -9.964 46 2HB SER 7 1HB SER 7 -0.520 -14.546 -9.603 47 HG SER 7 HG SER 7 -3.272 -14.293 -10.099 48 HA PRO 8 HA PRO 8 2.387 -14.350 -6.971 49 1HB PRO 8 2HB PRO 8 3.772 -12.088 -7.646 50 2HB PRO 8 1HB PRO 8 3.439 -13.405 -8.789 51 1HG PRO 8 2HG PRO 8 2.072 -10.778 -8.488 52 2HG PRO 8 1HG PRO 8 2.449 -11.695 -9.952 53 1HD PRO 8 2HD PRO 8 -0.037 -11.622 -8.811 54 2HD PRO 8 1HD PRO 8 0.560 -12.972 -9.799 55 H ALA 9 H ALA 9 2.288 -10.816 -6.675 56 HA ALA 9 HA ALA 9 2.125 -9.431 -4.759 57 1HB ALA 9 1HB ALA 9 0.474 -10.176 -3.403 58 2HB ALA 9 2HB ALA 9 1.483 -11.506 -2.833 59 3HB ALA 9 3HB ALA 9 0.515 -11.697 -4.295 60 H SER 10 H SER 10 4.457 -11.365 -5.491 61 HA SER 10 HA SER 10 6.304 -10.509 -3.482 62 1HB SER 10 2HB SER 10 5.260 -11.912 -1.920 63 2HB SER 10 1HB SER 10 4.890 -13.141 -3.126 64 HG SER 10 HG SER 10 7.011 -12.953 -1.516 65 H GLY 11 H GLY 11 8.450 -11.148 -4.045 66 1HA GLY 11 2HA GLY 11 10.142 -11.931 -5.472 67 2HA GLY 11 1HA GLY 11 9.114 -13.342 -5.738 68 H LEU 12 H LEU 12 9.011 -9.867 -6.601 69 HA LEU 12 HA LEU 12 7.988 -10.654 -9.297 70 1HB LEU 12 2HB LEU 12 8.039 -8.025 -7.787 71 2HB LEU 12 1HB LEU 12 7.268 -8.280 -9.353 72 HG LEU 12 HG LEU 12 6.411 -10.304 -7.471 73 1HD1 LEU 12 1HD1 LEU 12 6.350 -7.430 -6.598 74 2HD1 LEU 12 2HD1 LEU 12 6.637 -8.880 -5.636 75 3HD1 LEU 12 3HD1 LEU 12 5.005 -8.490 -6.178 76 1HD2 LEU 12 1HD2 LEU 12 4.821 -8.049 -8.718 77 2HD2 LEU 12 2HD2 LEU 12 4.245 -9.651 -8.258 78 3HD2 LEU 12 3HD2 LEU 12 5.334 -9.466 -9.633 79 H SER 13 H SER 13 8.741 -8.914 -11.009 80 HA SER 13 HA SER 13 11.652 -8.358 -10.682 81 1HB SER 13 2HB SER 13 10.158 -9.940 -12.731 82 2HB SER 13 1HB SER 13 11.590 -9.054 -13.243 83 HG SER 13 HG SER 13 12.410 -10.147 -11.123 84 H ASP 14 H ASP 14 12.310 -6.404 -11.625 85 HA ASP 14 HA ASP 14 10.432 -4.340 -12.092 86 1HB ASP 14 2HB ASP 14 12.392 -3.141 -12.975 87 2HB ASP 14 1HB ASP 14 12.837 -4.077 -11.548 88 H GLY 15 H GLY 15 8.867 -4.608 -13.665 89 1HA GLY 15 2HA GLY 15 8.530 -4.084 -16.087 90 2HA GLY 15 1HA GLY 15 9.813 -5.247 -16.411 91 H GLN 16 H GLN 16 9.105 -7.326 -14.704 92 HA GLN 16 HA GLN 16 7.301 -8.852 -16.170 93 1HB GLN 16 2HB GLN 16 7.892 -10.358 -14.562 94 2HB GLN 16 1HB GLN 16 8.808 -9.059 -13.813 95 1HG GLN 16 2HG GLN 16 7.106 -8.599 -12.245 96 2HG GLN 16 1HG GLN 16 5.865 -9.392 -13.214 97 1HE2 GLN 16 1HE2 GLN 16 5.552 -11.644 -12.935 98 2HE2 GLN 16 2HE2 GLN 16 6.454 -12.585 -11.848 99 H SER 17 H SER 17 5.037 -9.429 -15.765 100 HA SER 17 HA SER 17 3.453 -7.088 -14.823 101 1HB SER 17 2HB SER 17 3.377 -8.852 -17.027 102 2HB SER 17 1HB SER 17 1.957 -9.230 -16.057 103 HG SER 17 HG SER 17 1.626 -7.511 -17.579 104 H VAL 18 H VAL 18 1.212 -7.923 -13.933 105 HA VAL 18 HA VAL 18 1.510 -10.263 -12.142 106 HB VAL 18 HB VAL 18 0.684 -8.686 -10.275 107 1HG1 VAL 18 1HG1 VAL 18 3.031 -9.558 -10.515 108 2HG1 VAL 18 2HG1 VAL 18 2.943 -7.975 -9.745 109 3HG1 VAL 18 3HG1 VAL 18 3.425 -8.107 -11.436 110 1HG2 VAL 18 1HG2 VAL 18 0.875 -6.350 -10.578 111 2HG2 VAL 18 2HG2 VAL 18 0.151 -6.890 -12.093 112 3HG2 VAL 18 3HG2 VAL 18 1.875 -6.526 -12.020 113 H SER 19 H SER 19 -0.581 -11.045 -11.417 114 HA SER 19 HA SER 19 -2.820 -10.119 -13.143 115 1HB SER 19 2HB SER 19 -1.825 -12.584 -12.459 116 2HB SER 19 1HB SER 19 -3.184 -12.429 -11.351 117 HG SER 19 HG SER 19 -3.312 -11.945 -14.150 118 H VAL 20 H VAL 20 -4.682 -9.233 -12.266 119 HA VAL 20 HA VAL 20 -4.798 -8.991 -9.283 120 HB VAL 20 HB VAL 20 -5.082 -6.954 -11.488 121 1HG1 VAL 20 1HG1 VAL 20 -6.100 -5.399 -9.929 122 2HG1 VAL 20 2HG1 VAL 20 -6.002 -6.575 -8.620 123 3HG1 VAL 20 3HG1 VAL 20 -7.100 -6.851 -9.973 124 1HG2 VAL 20 1HG2 VAL 20 -3.616 -5.683 -9.858 125 2HG2 VAL 20 2HG2 VAL 20 -2.883 -7.144 -10.523 126 3HG2 VAL 20 3HG2 VAL 20 -3.541 -7.153 -8.887 127 H SER 21 H SER 21 -6.905 -9.019 -8.405 128 HA SER 21 HA SER 21 -9.184 -9.383 -10.294 129 1HB SER 21 2HB SER 21 -9.418 -11.585 -9.794 130 2HB SER 21 1HB SER 21 -7.772 -11.492 -9.176 131 HG SER 21 HG SER 21 -10.221 -11.231 -7.772 132 H VAL 22 H VAL 22 -10.921 -8.254 -9.552 133 HA VAL 22 HA VAL 22 -11.029 -7.561 -6.634 134 HB VAL 22 HB VAL 22 -11.766 -6.056 -9.158 135 1HG1 VAL 22 1HG1 VAL 22 -12.063 -4.518 -6.729 136 2HG1 VAL 22 2HG1 VAL 22 -13.101 -5.942 -6.672 137 3HG1 VAL 22 3HG1 VAL 22 -13.242 -4.802 -8.010 138 1HG2 VAL 22 1HG2 VAL 22 -9.595 -5.965 -7.136 139 2HG2 VAL 22 2HG2 VAL 22 -10.249 -4.398 -7.617 140 3HG2 VAL 22 3HG2 VAL 22 -9.572 -5.482 -8.833 141 H SER 23 H SER 23 -13.055 -7.847 -5.614 142 HA SER 23 HA SER 23 -15.436 -8.513 -7.234 143 1HB SER 23 2HB SER 23 -13.632 -10.473 -6.291 144 2HB SER 23 1HB SER 23 -15.052 -10.578 -5.254 145 HG SER 23 HG SER 23 -15.680 -11.748 -6.932 146 H GLY 24 H GLY 24 -17.274 -9.161 -5.558 147 1HA GLY 24 2HA GLY 24 -18.362 -8.776 -3.466 148 2HA GLY 24 1HA GLY 24 -16.929 -7.908 -2.912 149 H ALA 25 H ALA 25 -16.711 -6.103 -5.137 150 HA ALA 25 HA ALA 25 -18.511 -4.024 -4.291 151 1HB ALA 25 1HB ALA 25 -16.185 -4.356 -5.833 152 2HB ALA 25 2HB ALA 25 -16.966 -2.831 -5.416 153 3HB ALA 25 3HB ALA 25 -17.375 -3.650 -6.916 154 H ALA 26 H ALA 26 -19.149 -2.966 -6.978 155 HA ALA 26 HA ALA 26 -20.820 -4.846 -8.428 156 1HB ALA 26 1HB ALA 26 -22.565 -4.846 -6.993 157 2HB ALA 26 2HB ALA 26 -22.795 -3.142 -7.386 158 3HB ALA 26 3HB ALA 26 -21.805 -3.600 -6.001 159 H ALA 27 H ALA 27 -22.018 -3.797 -10.155 160 HA ALA 27 HA ALA 27 -20.700 -1.755 -11.539 161 1HB ALA 27 1HB ALA 27 -22.227 -2.775 -12.893 162 2HB ALA 27 2HB ALA 27 -23.319 -1.509 -12.329 163 3HB ALA 27 3HB ALA 27 -23.331 -3.092 -11.554 164 H GLY 28 H GLY 28 -20.494 0.392 -11.125 165 1HA GLY 28 2HA GLY 28 -21.869 2.501 -10.790 166 2HA GLY 28 1HA GLY 28 -22.530 1.683 -9.379 167 H GLU 29 H GLU 29 -19.225 0.974 -9.887 168 HA GLU 29 HA GLU 29 -18.350 3.223 -8.132 169 1HB GLU 29 2HB GLU 29 -18.101 0.254 -7.575 170 2HB GLU 29 1HB GLU 29 -17.251 1.502 -6.664 171 1HG GLU 29 2HG GLU 29 -20.260 1.436 -6.994 172 2HG GLU 29 1HG GLU 29 -19.414 0.745 -5.609 173 H THR 30 H THR 30 -16.557 4.061 -9.081 174 HA THR 30 HA THR 30 -14.835 2.294 -10.776 175 HB THR 30 HB THR 30 -15.049 5.321 -10.541 176 HG1 THR 30 HG1 THR 30 -15.948 3.902 -12.754 177 1HG2 THR 30 1HG2 THR 30 -13.160 3.598 -11.838 178 2HG2 THR 30 2HG2 THR 30 -13.222 5.361 -11.844 179 3HG2 THR 30 3HG2 THR 30 -14.098 4.444 -13.068 180 H TYR 31 H TYR 31 -12.745 1.854 -10.043 181 HA TYR 31 HA TYR 31 -11.767 3.425 -7.677 182 1HB TYR 31 2HB TYR 31 -11.201 0.543 -8.419 183 2HB TYR 31 1HB TYR 31 -10.777 1.346 -6.908 184 HD1 TYR 31 HD1 TYR 31 -12.999 -0.907 -8.247 185 HD2 TYR 31 HD2 TYR 31 -12.988 2.691 -5.900 186 HE1 TYR 31 HE1 TYR 31 -15.206 -1.522 -7.295 187 HE2 TYR 31 HE2 TYR 31 -15.198 2.077 -4.949 188 HH TYR 31 HH TYR 31 -16.462 -0.216 -4.582 189 H TYR 32 H TYR 32 -9.285 3.171 -7.459 190 HA TYR 32 HA TYR 32 -7.956 3.283 -10.148 191 1HB TYR 32 2HB TYR 32 -7.520 5.069 -7.731 192 2HB TYR 32 1HB TYR 32 -6.700 5.217 -9.284 193 HD1 TYR 32 HD1 TYR 32 -9.904 5.628 -7.501 194 HD2 TYR 32 HD2 TYR 32 -7.845 6.087 -11.243 195 HE1 TYR 32 HE1 TYR 32 -11.771 7.018 -8.359 196 HE2 TYR 32 HE2 TYR 32 -9.710 7.477 -12.101 197 HH TYR 32 HH TYR 32 -12.307 8.553 -10.015 198 H ILE 33 H ILE 33 -6.315 1.780 -10.207 199 HA ILE 33 HA ILE 33 -5.230 0.737 -7.631 200 HB ILE 33 HB ILE 33 -6.200 -0.772 -9.367 201 1HG1 ILE 33 2HG1 ILE 33 -3.203 -1.081 -8.986 202 2HG1 ILE 33 1HG1 ILE 33 -4.427 -1.563 -7.810 203 1HG2 ILE 33 1HG2 ILE 33 -3.859 -0.554 -11.127 204 2HG2 ILE 33 2HG2 ILE 33 -4.869 0.892 -11.130 205 3HG2 ILE 33 3HG2 ILE 33 -5.568 -0.674 -11.542 206 1HD1 ILE 33 1HD1 ILE 33 -5.211 -2.691 -10.285 207 2HD1 ILE 33 2HD1 ILE 33 -4.605 -3.541 -8.864 208 3HD1 ILE 33 3HD1 ILE 33 -3.485 -3.008 -10.116 209 H ALA 34 H ALA 34 -3.235 1.436 -6.967 210 HA ALA 34 HA ALA 34 -1.148 2.054 -8.978 211 1HB ALA 34 1HB ALA 34 -2.521 4.011 -7.154 212 2HB ALA 34 2HB ALA 34 -2.100 4.194 -8.857 213 3HB ALA 34 3HB ALA 34 -0.843 4.283 -7.623 214 H GLN 35 H GLN 35 0.955 1.844 -8.111 215 HA GLN 35 HA GLN 35 1.097 0.651 -5.383 216 1HB GLN 35 2HB GLN 35 2.026 -0.595 -7.289 217 2HB GLN 35 1HB GLN 35 3.036 0.785 -7.719 218 1HG GLN 35 2HG GLN 35 3.974 0.591 -5.311 219 2HG GLN 35 1HG GLN 35 3.254 -1.019 -5.313 220 1HE2 GLN 35 1HE2 GLN 35 3.728 -1.623 -8.123 221 2HE2 GLN 35 2HE2 GLN 35 5.404 -1.803 -8.327 222 H CYS 36 H CYS 36 2.524 1.562 -3.791 223 HA CYS 36 HA CYS 36 3.913 4.096 -4.533 224 1HB CYS 36 2HB CYS 36 1.721 3.684 -2.504 225 2HB CYS 36 1HB CYS 36 2.841 5.041 -2.381 226 H ALA 37 H ALA 37 5.537 4.726 -3.015 227 HA ALA 37 HA ALA 37 6.209 2.960 -0.750 228 1HB ALA 37 1HB ALA 37 7.573 1.712 -2.073 229 2HB ALA 37 2HB ALA 37 8.606 3.138 -2.180 230 3HB ALA 37 3HB ALA 37 7.392 2.833 -3.422 231 HA PRO 38 HA PRO 38 7.515 6.934 0.678 232 1HB PRO 38 2HB PRO 38 9.105 6.129 2.761 233 2HB PRO 38 1HB PRO 38 7.332 6.123 2.825 234 1HG PRO 38 2HG PRO 38 9.212 3.866 2.296 235 2HG PRO 38 1HG PRO 38 7.736 3.897 3.278 236 1HD PRO 38 2HD PRO 38 7.791 2.854 0.779 237 2HD PRO 38 1HD PRO 38 6.350 3.654 1.448 238 H VAL 39 H VAL 39 9.599 8.162 1.032 239 HA VAL 39 HA VAL 39 12.019 6.898 -0.160 240 HB VAL 39 HB VAL 39 12.125 8.997 -1.667 241 1HG1 VAL 39 1HG1 VAL 39 11.476 6.586 -2.307 242 2HG1 VAL 39 2HG1 VAL 39 10.947 7.872 -3.392 243 3HG1 VAL 39 3HG1 VAL 39 9.806 7.152 -2.256 244 1HG2 VAL 39 1HG2 VAL 39 10.311 10.387 -1.813 245 2HG2 VAL 39 2HG2 VAL 39 9.991 9.806 -0.180 246 3HG2 VAL 39 3HG2 VAL 39 9.160 9.076 -1.553 247 H GLY 40 H GLY 40 13.887 8.580 -0.085 248 1HA GLY 40 2HA GLY 40 14.365 9.424 2.553 249 2HA GLY 40 1HA GLY 40 15.209 10.078 1.150 250 H GLY 41 H GLY 41 13.165 11.385 -0.192 251 1HA GLY 41 2HA GLY 41 12.969 13.845 1.219 252 2HA GLY 41 1HA GLY 41 11.998 13.423 -0.188 253 H GLN 42 H GLN 42 10.339 11.542 0.496 254 HA GLN 42 HA GLN 42 9.243 11.647 3.168 255 1HB GLN 42 2HB GLN 42 8.749 13.857 1.452 256 2HB GLN 42 1HB GLN 42 7.238 12.953 1.561 257 1HG GLN 42 2HG GLN 42 7.642 12.909 4.102 258 2HG GLN 42 1HG GLN 42 8.856 14.154 3.809 259 1HE2 GLN 42 1HE2 GLN 42 5.617 13.766 4.579 260 2HE2 GLN 42 2HE2 GLN 42 5.028 15.256 4.020 261 H ASP 43 H ASP 43 7.477 11.776 0.078 262 HA ASP 43 HA ASP 43 7.017 8.832 0.215 263 1HB ASP 43 2HB ASP 43 5.048 11.081 0.495 264 2HB ASP 43 1HB ASP 43 4.525 9.582 -0.276 265 H ALA 44 H ALA 44 6.476 7.926 -1.846 266 HA ALA 44 HA ALA 44 6.275 9.771 -4.171 267 1HB ALA 44 1HB ALA 44 8.553 9.531 -4.335 268 2HB ALA 44 2HB ALA 44 8.114 8.000 -5.093 269 3HB ALA 44 3HB ALA 44 8.559 8.043 -3.388 270 H CYS 45 H CYS 45 5.149 8.804 -5.914 271 HA CYS 45 HA CYS 45 4.286 5.955 -5.503 272 1HB CYS 45 2HB CYS 45 2.759 8.476 -6.115 273 2HB CYS 45 1HB CYS 45 2.116 6.913 -6.618 274 H ASN 46 H ASN 46 3.187 5.200 -7.704 275 HA ASN 46 HA ASN 46 5.140 5.856 -9.869 276 1HB ASN 46 2HB ASN 46 4.523 3.679 -10.734 277 2HB ASN 46 1HB ASN 46 4.759 3.509 -8.996 278 1HD2 ASN 46 1HD2 ASN 46 2.802 2.301 -11.236 279 2HD2 ASN 46 2HD2 ASN 46 1.322 2.258 -10.411 280 HA PRO 47 HA PRO 47 1.550 7.917 -11.625 281 1HB PRO 47 2HB PRO 47 2.962 9.836 -12.948 282 2HB PRO 47 1HB PRO 47 2.577 9.941 -11.220 283 1HG PRO 47 2HG PRO 47 5.147 9.382 -12.526 284 2HG PRO 47 1HG PRO 47 4.817 9.985 -10.897 285 1HD PRO 47 2HD PRO 47 5.500 7.316 -11.669 286 2HD PRO 47 1HD PRO 47 5.115 7.917 -10.045 287 H ALA 48 H ALA 48 4.566 7.148 -13.345 288 HA ALA 48 HA ALA 48 3.430 7.154 -15.998 289 1HB ALA 48 1HB ALA 48 5.851 7.358 -15.301 290 2HB ALA 48 2HB ALA 48 5.567 6.185 -16.588 291 3HB ALA 48 3HB ALA 48 5.825 5.635 -14.933 292 H THR 49 H THR 49 2.879 5.061 -13.421 293 HA THR 49 HA THR 49 2.050 2.881 -15.306 294 HB THR 49 HB THR 49 2.626 1.606 -12.946 295 HG1 THR 49 HG1 THR 49 4.792 2.558 -12.520 296 1HG2 THR 49 1HG2 THR 49 4.439 0.662 -14.109 297 2HG2 THR 49 2HG2 THR 49 4.787 2.163 -14.966 298 3HG2 THR 49 3HG2 THR 49 3.367 1.210 -15.398 299 H ALA 50 H ALA 50 0.602 5.186 -13.896 300 HA ALA 50 HA ALA 50 -1.108 3.835 -11.919 301 1HB ALA 50 1HB ALA 50 -0.372 6.487 -12.708 302 2HB ALA 50 2HB ALA 50 -1.298 5.994 -11.290 303 3HB ALA 50 3HB ALA 50 -2.128 6.356 -12.804 304 H THR 51 H THR 51 -3.245 3.178 -12.289 305 HA THR 51 HA THR 51 -4.485 3.678 -14.935 306 HB THR 51 HB THR 51 -3.177 1.670 -15.278 307 HG1 THR 51 HG1 THR 51 -4.898 0.970 -16.226 308 1HG2 THR 51 1HG2 THR 51 -2.675 0.293 -13.579 309 2HG2 THR 51 2HG2 THR 51 -4.380 -0.084 -13.338 310 3HG2 THR 51 3HG2 THR 51 -3.658 1.301 -12.518 311 H SER 52 H SER 52 -6.813 2.990 -14.915 312 HA SER 52 HA SER 52 -7.922 2.687 -12.149 313 1HB SER 52 2HB SER 52 -9.551 4.421 -12.697 314 2HB SER 52 1HB SER 52 -7.930 5.053 -12.964 315 HG SER 52 HG SER 52 -8.207 4.859 -15.120 316 H PHE 53 H PHE 53 -10.010 1.653 -12.094 317 HA PHE 53 HA PHE 53 -11.026 0.503 -14.642 318 1HB PHE 53 2HB PHE 53 -10.956 -1.754 -13.634 319 2HB PHE 53 1HB PHE 53 -9.340 -1.048 -13.688 320 HD1 PHE 53 HD1 PHE 53 -11.766 -2.597 -11.613 321 HD2 PHE 53 HD2 PHE 53 -8.621 0.328 -11.563 322 HE1 PHE 53 HE1 PHE 53 -11.577 -2.841 -9.153 323 HE2 PHE 53 HE2 PHE 53 -8.433 0.082 -9.104 324 HZ PHE 53 HZ PHE 53 -9.910 -1.503 -7.902 325 H THR 54 H THR 54 -13.072 -0.970 -13.868 326 HA THR 54 HA THR 54 -14.484 0.309 -11.605 327 HB THR 54 HB THR 54 -15.572 0.273 -14.430 328 HG1 THR 54 HG1 THR 54 -14.658 2.519 -12.993 329 1HG2 THR 54 1HG2 THR 54 -17.477 0.545 -13.222 330 2HG2 THR 54 2HG2 THR 54 -16.907 2.203 -13.047 331 3HG2 THR 54 3HG2 THR 54 -16.603 1.028 -11.771 332 H THR 55 H THR 55 -16.485 -0.862 -11.061 333 HA THR 55 HA THR 55 -16.196 -3.749 -11.436 334 HB THR 55 HB THR 55 -18.451 -3.566 -10.123 335 HG1 THR 55 HG1 THR 55 -18.304 -1.392 -9.049 336 1HG2 THR 55 1HG2 THR 55 -15.660 -3.078 -9.387 337 2HG2 THR 55 2HG2 THR 55 -16.852 -4.145 -8.644 338 3HG2 THR 55 3HG2 THR 55 -16.815 -2.432 -8.220 339 H ASP 56 H ASP 56 -18.922 -4.564 -11.624 340 HA ASP 56 HA ASP 56 -20.027 -3.358 -14.111 341 1HB ASP 56 2HB ASP 56 -19.646 -5.316 -15.468 342 2HB ASP 56 1HB ASP 56 -18.102 -4.886 -14.731 343 H ALA 57 H ALA 57 -21.382 -5.936 -14.752 344 HA ALA 57 HA ALA 57 -23.586 -5.695 -12.848 345 1HB ALA 57 1HB ALA 57 -23.080 -7.211 -15.419 346 2HB ALA 57 2HB ALA 57 -24.147 -5.827 -15.177 347 3HB ALA 57 3HB ALA 57 -24.576 -7.397 -14.502 348 H SER 58 H SER 58 -22.088 -6.466 -11.184 349 HA SER 58 HA SER 58 -22.652 -8.836 -9.976 350 1HB SER 58 2HB SER 58 -21.977 -10.358 -11.573 351 2HB SER 58 1HB SER 58 -20.899 -9.204 -12.352 352 HG SER 58 HG SER 58 -19.357 -10.155 -11.306 353 H GLY 59 H GLY 59 -20.435 -6.335 -10.748 354 1HA GLY 59 2HA GLY 59 -18.920 -5.189 -9.363 355 2HA GLY 59 1HA GLY 59 -19.414 -6.233 -8.029 356 H ALA 60 H ALA 60 -17.606 -6.470 -11.113 357 HA ALA 60 HA ALA 60 -15.498 -7.934 -9.633 358 1HB ALA 60 1HB ALA 60 -15.526 -9.626 -11.533 359 2HB ALA 60 2HB ALA 60 -17.050 -8.896 -12.035 360 3HB ALA 60 3HB ALA 60 -16.927 -9.674 -10.459 361 H ALA 61 H ALA 61 -13.514 -7.198 -10.225 362 HA ALA 61 HA ALA 61 -13.202 -5.927 -12.920 363 1HB ALA 61 1HB ALA 61 -11.451 -4.637 -11.191 364 2HB ALA 61 2HB ALA 61 -12.883 -4.896 -10.196 365 3HB ALA 61 3HB ALA 61 -13.013 -4.011 -11.715 366 H SER 62 H SER 62 -12.257 -8.038 -13.557 367 HA SER 62 HA SER 62 -9.668 -8.733 -12.252 368 1HB SER 62 2HB SER 62 -11.231 -10.182 -14.403 369 2HB SER 62 1HB SER 62 -9.968 -10.852 -13.376 370 HG SER 62 HG SER 62 -12.576 -10.735 -12.915 371 H PHE 63 H PHE 63 -7.815 -7.994 -13.225 372 HA PHE 63 HA PHE 63 -7.610 -7.894 -16.167 373 1HB PHE 63 2HB PHE 63 -7.046 -5.432 -16.070 374 2HB PHE 63 1HB PHE 63 -8.729 -5.800 -15.695 375 HD1 PHE 63 HD1 PHE 63 -5.769 -4.177 -14.563 376 HD2 PHE 63 HD2 PHE 63 -9.308 -6.174 -13.169 377 HE1 PHE 63 HE1 PHE 63 -5.509 -3.089 -12.350 378 HE2 PHE 63 HE2 PHE 63 -9.048 -5.085 -10.955 379 HZ PHE 63 HZ PHE 63 -7.150 -3.543 -10.545 380 H SER 64 H SER 64 -5.344 -6.897 -16.724 381 HA SER 64 HA SER 64 -3.378 -8.091 -14.826 382 1HB SER 64 2HB SER 64 -3.267 -8.970 -17.037 383 2HB SER 64 1HB SER 64 -3.396 -7.371 -17.762 384 HG SER 64 HG SER 64 -1.347 -6.903 -16.806 385 H PHE 65 H PHE 65 -1.388 -6.920 -14.411 386 HA PHE 65 HA PHE 65 -1.370 -3.990 -14.950 387 1HB PHE 65 2HB PHE 65 -2.625 -4.392 -12.851 388 2HB PHE 65 1HB PHE 65 -1.276 -5.336 -12.223 389 HD1 PHE 65 HD1 PHE 65 -2.094 -1.939 -13.578 390 HD2 PHE 65 HD2 PHE 65 0.413 -4.290 -11.000 391 HE1 PHE 65 HE1 PHE 65 -1.027 0.130 -12.722 392 HE2 PHE 65 HE2 PHE 65 1.476 -2.223 -10.148 393 HZ PHE 65 HZ PHE 65 0.758 -0.020 -11.009 394 H VAL 66 H VAL 66 0.897 -3.199 -13.729 395 HA VAL 66 HA VAL 66 2.934 -5.349 -14.192 396 HB VAL 66 HB VAL 66 3.316 -2.464 -14.980 397 1HG1 VAL 66 1HG1 VAL 66 4.504 -5.026 -16.078 398 2HG1 VAL 66 2HG1 VAL 66 5.256 -4.070 -14.801 399 3HG1 VAL 66 3HG1 VAL 66 5.038 -3.378 -16.409 400 1HG2 VAL 66 1HG2 VAL 66 1.529 -2.868 -16.386 401 2HG2 VAL 66 2HG2 VAL 66 1.763 -4.615 -16.351 402 3HG2 VAL 66 3HG2 VAL 66 2.808 -3.604 -17.351 403 H VAL 67 H VAL 67 4.966 -4.963 -13.062 404 HA VAL 67 HA VAL 67 4.753 -3.021 -10.785 405 HB VAL 67 HB VAL 67 5.685 -4.789 -9.351 406 1HG1 VAL 67 1HG1 VAL 67 3.347 -5.794 -11.004 407 2HG1 VAL 67 2HG1 VAL 67 3.228 -4.678 -9.644 408 3HG1 VAL 67 3HG1 VAL 67 3.772 -6.335 -9.380 409 1HG2 VAL 67 1HG2 VAL 67 6.552 -5.857 -11.797 410 2HG2 VAL 67 2HG2 VAL 67 5.340 -6.999 -11.215 411 3HG2 VAL 67 3HG2 VAL 67 6.731 -6.601 -10.207 412 H ARG 68 H ARG 68 6.906 -2.387 -9.941 413 HA ARG 68 HA ARG 68 9.194 -3.000 -11.751 414 1HB ARG 68 2HB ARG 68 7.946 -0.320 -11.127 415 2HB ARG 68 1HB ARG 68 9.610 -0.452 -11.697 416 1HG ARG 68 2HG ARG 68 8.324 -2.064 -13.488 417 2HG ARG 68 1HG ARG 68 7.079 -0.855 -13.168 418 1HD ARG 68 2HD ARG 68 9.947 -0.195 -13.939 419 2HD ARG 68 1HD ARG 68 8.565 -0.169 -15.055 420 HE ARG 68 HE ARG 68 8.087 1.368 -12.620 421 1HH1 ARG 68 1HH1 ARG 68 7.080 1.939 -15.446 422 2HH1 ARG 68 2HH1 ARG 68 7.957 3.385 -15.824 423 1HH2 ARG 68 1HH2 ARG 68 10.242 2.988 -13.247 424 2HH2 ARG 68 2HH2 ARG 68 9.747 3.979 -14.578 425 H LYS 69 H LYS 69 10.681 -3.809 -10.281 426 HA LYS 69 HA LYS 69 10.792 -3.517 -7.524 427 1HB LYS 69 2HB LYS 69 12.240 -4.931 -9.023 428 2HB LYS 69 1HB LYS 69 13.156 -3.480 -9.429 429 1HG LYS 69 2HG LYS 69 13.948 -3.223 -7.204 430 2HG LYS 69 1HG LYS 69 12.759 -4.359 -6.567 431 1HD LYS 69 2HD LYS 69 14.249 -6.024 -6.823 432 2HD LYS 69 1HD LYS 69 14.227 -5.742 -8.566 433 1HE LYS 69 2HE LYS 69 16.002 -4.281 -6.573 434 2HE LYS 69 1HE LYS 69 16.533 -5.535 -7.713 435 1HZ LYS 69 1HZ LYS 69 15.401 -4.090 -9.463 436 2HZ LYS 69 2HZ LYS 69 16.896 -3.553 -8.860 437 3HZ LYS 69 3HZ LYS 69 15.451 -2.850 -8.308 438 H SER 70 H SER 70 12.400 -1.434 -9.923 439 HA SER 70 HA SER 70 12.552 0.725 -7.843 440 1HB SER 70 2HB SER 70 14.331 0.892 -10.171 441 2HB SER 70 1HB SER 70 14.721 1.020 -8.459 442 HG SER 70 HG SER 70 15.111 -1.030 -10.090 443 H TYR 71 H TYR 71 10.913 2.155 -8.341 444 HA TYR 71 HA TYR 71 10.500 2.808 -11.247 445 1HB TYR 71 2HB TYR 71 8.151 3.033 -10.745 446 2HB TYR 71 1HB TYR 71 8.685 1.511 -10.032 447 HD1 TYR 71 HD1 TYR 71 7.723 5.010 -9.332 448 HD2 TYR 71 HD2 TYR 71 8.828 1.225 -7.632 449 HE1 TYR 71 HE1 TYR 71 6.983 5.796 -7.097 450 HE2 TYR 71 HE2 TYR 71 8.090 2.011 -5.400 451 HH TYR 71 HH TYR 71 6.116 4.383 -4.844 452 H THR 72 H THR 72 10.760 4.926 -11.775 453 HA THR 72 HA THR 72 11.772 6.861 -9.946 454 HB THR 72 HB THR 72 10.324 7.297 -12.572 455 HG1 THR 72 HG1 THR 72 12.028 6.507 -13.535 456 1HG2 THR 72 1HG2 THR 72 11.929 9.190 -12.766 457 2HG2 THR 72 2HG2 THR 72 12.521 8.823 -11.145 458 3HG2 THR 72 3HG2 THR 72 10.857 9.361 -11.377 459 H GLY 73 H GLY 73 10.678 8.017 -8.411 460 1HA GLY 73 2HA GLY 73 7.713 8.103 -8.556 461 2HA GLY 73 1HA GLY 73 8.684 8.494 -7.135 462 H SER 74 H SER 74 7.216 10.467 -7.173 463 HA SER 74 HA SER 74 8.673 12.727 -8.247 464 1HB SER 74 2HB SER 74 6.435 11.492 -9.759 465 2HB SER 74 1HB SER 74 6.451 13.251 -9.687 466 HG SER 74 HG SER 74 7.674 12.265 -11.450 467 H THR 75 H THR 75 7.906 14.675 -7.334 468 HA THR 75 HA THR 75 5.829 14.355 -5.240 469 HB THR 75 HB THR 75 6.820 16.499 -4.462 470 HG1 THR 75 HG1 THR 75 7.759 17.625 -5.940 471 1HG2 THR 75 1HG2 THR 75 8.204 13.971 -4.777 472 2HG2 THR 75 2HG2 THR 75 8.169 15.057 -3.389 473 3HG2 THR 75 3HG2 THR 75 9.339 15.317 -4.683 474 HA PRO 76 HA PRO 76 2.973 16.852 -7.438 475 1HB PRO 76 2HB PRO 76 1.629 18.049 -5.389 476 2HB PRO 76 1HB PRO 76 1.466 16.325 -5.772 477 1HG PRO 76 2HG PRO 76 2.936 17.634 -3.568 478 2HG PRO 76 1HG PRO 76 2.185 16.034 -3.635 479 1HD PRO 76 2HD PRO 76 4.925 16.593 -3.901 480 2HD PRO 76 1HD PRO 76 4.122 15.055 -4.283 481 H GLU 77 H GLU 77 5.540 18.204 -5.794 482 HA GLU 77 HA GLU 77 4.719 21.018 -6.279 483 1HB GLU 77 2HB GLU 77 5.978 19.751 -4.202 484 2HB GLU 77 1HB GLU 77 7.351 20.397 -5.104 485 1HG GLU 77 2HG GLU 77 5.785 22.570 -5.167 486 2HG GLU 77 1HG GLU 77 5.166 21.846 -3.682 487 H GLY 78 H GLY 78 5.495 19.079 -8.466 488 1HA GLY 78 2HA GLY 78 6.830 19.084 -10.398 489 2HA GLY 78 1HA GLY 78 7.024 20.812 -10.096 490 H THR 79 H THR 79 8.139 17.837 -8.443 491 HA THR 79 HA THR 79 10.954 18.659 -8.871 492 HB THR 79 HB THR 79 9.541 18.523 -6.197 493 HG1 THR 79 HG1 THR 79 9.551 20.579 -6.549 494 1HG2 THR 79 1HG2 THR 79 11.741 18.792 -5.156 495 2HG2 THR 79 2HG2 THR 79 12.515 18.733 -6.740 496 3HG2 THR 79 3HG2 THR 79 11.701 17.305 -6.102 497 HA PRO 80 HA PRO 80 10.747 14.174 -9.046 498 1HB PRO 80 2HB PRO 80 13.224 13.847 -10.159 499 2HB PRO 80 1HB PRO 80 11.790 14.297 -11.105 500 1HG PRO 80 2HG PRO 80 14.000 16.018 -10.086 501 2HG PRO 80 1HG PRO 80 13.138 16.083 -11.633 502 1HD PRO 80 2HD PRO 80 12.619 17.777 -9.557 503 2HD PRO 80 1HD PRO 80 11.402 17.308 -10.765 504 H VAL 81 H VAL 81 10.958 13.489 -6.895 505 HA VAL 81 HA VAL 81 13.147 14.183 -5.163 506 HB VAL 81 HB VAL 81 10.797 13.364 -4.599 507 1HG1 VAL 81 1HG1 VAL 81 11.974 10.605 -4.906 508 2HG1 VAL 81 2HG1 VAL 81 11.124 11.373 -6.247 509 3HG1 VAL 81 3HG1 VAL 81 10.282 11.069 -4.728 510 1HG2 VAL 81 1HG2 VAL 81 12.943 13.402 -3.081 511 2HG2 VAL 81 2HG2 VAL 81 12.853 11.647 -3.230 512 3HG2 VAL 81 3HG2 VAL 81 11.508 12.542 -2.525 513 H GLY 82 H GLY 82 12.958 12.021 -7.790 514 1HA GLY 82 2HA GLY 82 15.174 11.087 -8.501 515 2HA GLY 82 1HA GLY 82 15.387 10.594 -6.823 516 H SER 83 H SER 83 15.624 8.375 -7.636 517 HA SER 83 HA SER 83 13.163 7.142 -8.753 518 1HB SER 83 2HB SER 83 15.811 5.826 -8.165 519 2HB SER 83 1HB SER 83 14.616 5.370 -9.375 520 HG SER 83 HG SER 83 15.167 7.144 -10.570 521 H VAL 84 H VAL 84 12.075 5.437 -7.642 522 HA VAL 84 HA VAL 84 12.701 5.293 -4.719 523 HB VAL 84 HB VAL 84 10.172 4.756 -6.306 524 1HG1 VAL 84 1HG1 VAL 84 9.590 3.554 -4.474 525 2HG1 VAL 84 2HG1 VAL 84 9.511 5.102 -3.633 526 3HG1 VAL 84 3HG1 VAL 84 10.982 4.133 -3.557 527 1HG2 VAL 84 1HG2 VAL 84 9.739 6.821 -4.506 528 2HG2 VAL 84 2HG2 VAL 84 10.036 7.014 -6.233 529 3HG2 VAL 84 3HG2 VAL 84 11.373 7.135 -5.090 530 H ASP 85 H ASP 85 14.074 3.542 -4.562 531 HA ASP 85 HA ASP 85 13.383 1.038 -6.019 532 1HB ASP 85 2HB ASP 85 15.792 1.820 -4.338 533 2HB ASP 85 1HB ASP 85 15.666 0.401 -5.378 534 H CYS 86 H CYS 86 12.164 -0.426 -4.901 535 HA CYS 86 HA CYS 86 11.842 -0.188 -1.991 536 1HB CYS 86 2HB CYS 86 10.498 -1.337 -4.283 537 2HB CYS 86 1HB CYS 86 10.599 -2.516 -2.972 538 H ALA 87 H ALA 87 14.538 -0.908 -2.864 539 HA ALA 87 HA ALA 87 14.900 -3.778 -2.486 540 1HB ALA 87 1HB ALA 87 16.529 -1.321 -2.939 541 2HB ALA 87 2HB ALA 87 16.579 -2.868 -3.785 542 3HB ALA 87 3HB ALA 87 17.354 -2.699 -2.210 543 H THR 88 H THR 88 15.203 -0.843 -0.526 544 HA THR 88 HA THR 88 15.823 -2.530 1.868 545 HB THR 88 HB THR 88 17.457 -0.785 1.253 546 HG1 THR 88 HG1 THR 88 17.568 0.090 3.251 547 1HG2 THR 88 1HG2 THR 88 15.903 1.543 1.905 548 2HG2 THR 88 2HG2 THR 88 15.109 0.661 0.601 549 3HG2 THR 88 3HG2 THR 88 16.782 1.187 0.418 550 H ALA 89 H ALA 89 13.376 -0.727 0.330 551 HA ALA 89 HA ALA 89 11.922 -0.273 2.892 552 1HB ALA 89 1HB ALA 89 11.819 0.927 0.123 553 2HB ALA 89 2HB ALA 89 12.170 1.740 1.648 554 3HB ALA 89 3HB ALA 89 10.528 1.204 1.293 555 H ALA 90 H ALA 90 9.341 -0.268 2.093 556 HA ALA 90 HA ALA 90 8.911 -2.967 0.843 557 1HB ALA 90 1HB ALA 90 8.358 -3.311 3.061 558 2HB ALA 90 2HB ALA 90 6.807 -2.735 2.454 559 3HB ALA 90 3HB ALA 90 7.885 -1.631 3.307 560 H CYS 91 H CYS 91 7.595 -2.882 -0.938 561 HA CYS 91 HA CYS 91 6.186 -0.346 -1.504 562 1HB CYS 91 2HB CYS 91 7.119 -2.759 -2.999 563 2HB CYS 91 1HB CYS 91 5.770 -1.849 -3.678 564 H ASN 92 H ASN 92 3.900 -0.307 -1.954 565 HA ASN 92 HA ASN 92 2.382 -2.790 -1.261 566 1HB ASN 92 2HB ASN 92 2.400 -0.112 0.105 567 2HB ASN 92 1HB ASN 92 0.930 -1.087 0.119 568 1HD2 ASN 92 1HD2 ASN 92 4.198 -0.844 1.380 569 2HD2 ASN 92 2HD2 ASN 92 4.104 -2.188 2.413 570 H LEU 93 H LEU 93 0.866 -3.085 -2.831 571 HA LEU 93 HA LEU 93 0.094 -0.820 -4.586 572 1HB LEU 93 2HB LEU 93 0.714 -2.858 -5.692 573 2HB LEU 93 1HB LEU 93 -0.272 -3.829 -4.598 574 HG LEU 93 HG LEU 93 -2.291 -2.536 -5.505 575 1HD1 LEU 93 1HD1 LEU 93 -1.822 -0.807 -6.873 576 2HD1 LEU 93 2HD1 LEU 93 -1.286 -1.981 -8.075 577 3HD1 LEU 93 3HD1 LEU 93 -0.123 -1.268 -6.955 578 1HD2 LEU 93 1HD2 LEU 93 -2.544 -4.051 -7.348 579 2HD2 LEU 93 2HD2 LEU 93 -1.563 -4.895 -6.151 580 3HD2 LEU 93 3HD2 LEU 93 -0.799 -4.177 -7.569 581 H GLY 94 H GLY 94 -1.624 0.380 -3.800 582 1HA GLY 94 2HA GLY 94 -3.805 -1.142 -2.423 583 2HA GLY 94 1HA GLY 94 -3.398 0.530 -2.040 584 H ALA 95 H ALA 95 -5.995 -0.100 -2.697 585 HA ALA 95 HA ALA 95 -6.301 1.378 -5.271 586 1HB ALA 95 1HB ALA 95 -6.560 -1.388 -4.993 587 2HB ALA 95 2HB ALA 95 -7.195 -0.421 -6.324 588 3HB ALA 95 3HB ALA 95 -8.218 -0.797 -4.943 589 H GLY 96 H GLY 96 -8.554 2.247 -5.486 590 1HA GLY 96 2HA GLY 96 -10.780 2.365 -4.186 591 2HA GLY 96 1HA GLY 96 -9.760 2.734 -2.793 592 H ASN 97 H ASN 97 -11.547 4.646 -3.277 593 HA ASN 97 HA ASN 97 -9.986 6.779 -4.676 594 1HB ASN 97 2HB ASN 97 -12.075 7.618 -5.558 595 2HB ASN 97 1HB ASN 97 -12.009 5.888 -5.897 596 1HD2 ASN 97 1HD2 ASN 97 -13.873 8.348 -4.378 597 2HD2 ASN 97 2HD2 ASN 97 -14.972 7.332 -3.576 598 H SER 98 H SER 98 -11.866 8.841 -3.959 599 HA SER 98 HA SER 98 -11.011 9.346 -1.204 600 1HB SER 98 2HB SER 98 -11.520 10.843 -3.436 601 2HB SER 98 1HB SER 98 -12.994 11.106 -2.511 602 HG SER 98 HG SER 98 -11.343 11.421 -0.703 603 H GLY 99 H GLY 99 -12.258 7.543 -0.178 604 1HA GLY 99 2HA GLY 99 -14.316 8.006 1.399 605 2HA GLY 99 1HA GLY 99 -15.202 7.979 -0.127 606 H LEU 100 H LEU 100 -13.605 5.880 -1.346 607 HA LEU 100 HA LEU 100 -14.550 3.563 0.309 608 1HB LEU 100 2HB LEU 100 -15.666 4.136 -1.911 609 2HB LEU 100 1HB LEU 100 -14.144 3.700 -2.688 610 HG LEU 100 HG LEU 100 -15.100 1.709 -0.745 611 1HD1 LEU 100 1HD1 LEU 100 -16.714 2.420 -3.201 612 2HD1 LEU 100 2HD1 LEU 100 -17.285 2.256 -1.541 613 3HD1 LEU 100 3HD1 LEU 100 -16.787 0.828 -2.445 614 1HD2 LEU 100 1HD2 LEU 100 -13.589 1.908 -3.219 615 2HD2 LEU 100 2HD2 LEU 100 -14.773 0.604 -3.301 616 3HD2 LEU 100 3HD2 LEU 100 -13.575 0.628 -2.007 617 H ASP 101 H ASP 101 -13.130 1.811 0.561 618 HA ASP 101 HA ASP 101 -10.366 2.160 -0.546 619 1HB ASP 101 2HB ASP 101 -11.435 1.827 2.194 620 2HB ASP 101 1HB ASP 101 -10.030 0.827 1.818 621 H LEU 102 H LEU 102 -9.864 0.440 -1.846 622 HA LEU 102 HA LEU 102 -11.477 -1.986 -1.866 623 1HB LEU 102 2HB LEU 102 -9.058 -0.913 -3.292 624 2HB LEU 102 1HB LEU 102 -9.561 -2.586 -3.537 625 HG LEU 102 HG LEU 102 -11.286 -0.130 -3.981 626 1HD1 LEU 102 1HD1 LEU 102 -9.815 -0.251 -5.815 627 2HD1 LEU 102 2HD1 LEU 102 -11.223 -1.156 -6.370 628 3HD1 LEU 102 3HD1 LEU 102 -9.793 -2.015 -5.797 629 1HD2 LEU 102 1HD2 LEU 102 -12.739 -2.014 -5.081 630 2HD2 LEU 102 2HD2 LEU 102 -12.800 -1.800 -3.332 631 3HD2 LEU 102 3HD2 LEU 102 -11.822 -3.092 -4.029 632 H GLY 103 H GLY 103 -7.938 -1.728 -1.656 633 1HA GLY 103 2HA GLY 103 -7.667 -3.040 0.866 634 2HA GLY 103 1HA GLY 103 -7.551 -4.243 -0.420 635 H HIS 104 H HIS 104 -5.296 -4.293 0.699 636 HA HIS 104 HA HIS 104 -3.457 -2.666 -0.978 637 1HB HIS 104 2HB HIS 104 -3.987 -2.401 1.901 638 2HB HIS 104 1HB HIS 104 -2.277 -2.610 1.528 639 HD1 HIS 104 HD1 HIS 104 -1.054 -0.580 0.713 640 HD2 HIS 104 HD2 HIS 104 -5.185 -0.147 0.356 641 HE1 HIS 104 HE1 HIS 104 -1.464 1.807 -0.035 642 H VAL 105 H VAL 105 -2.306 -4.317 -1.958 643 HA VAL 105 HA VAL 105 -1.691 -6.787 -0.415 644 HB VAL 105 HB VAL 105 -1.146 -6.079 -3.311 645 1HG1 VAL 105 1HG1 VAL 105 0.045 -8.034 -2.880 646 2HG1 VAL 105 2HG1 VAL 105 -1.518 -8.693 -3.361 647 3HG1 VAL 105 3HG1 VAL 105 -1.096 -8.580 -1.652 648 1HG2 VAL 105 1HG2 VAL 105 -3.440 -5.911 -3.355 649 2HG2 VAL 105 2HG2 VAL 105 -3.640 -6.853 -1.879 650 3HG2 VAL 105 3HG2 VAL 105 -3.327 -7.670 -3.411 651 H ALA 106 H ALA 106 0.261 -6.916 0.613 652 HA ALA 106 HA ALA 106 2.366 -4.959 0.207 653 1HB ALA 106 1HB ALA 106 1.710 -6.223 2.317 654 2HB ALA 106 2HB ALA 106 3.439 -6.196 1.967 655 3HB ALA 106 3HB ALA 106 2.489 -7.637 1.609 656 H LEU 107 H LEU 107 4.104 -5.107 -1.182 657 HA LEU 107 HA LEU 107 4.386 -7.614 -2.784 658 1HB LEU 107 2HB LEU 107 5.436 -4.802 -3.228 659 2HB LEU 107 1HB LEU 107 5.470 -6.121 -4.399 660 HG LEU 107 HG LEU 107 2.865 -5.235 -3.176 661 1HD1 LEU 107 1HD1 LEU 107 4.581 -3.672 -4.907 662 2HD1 LEU 107 2HD1 LEU 107 3.023 -3.237 -4.206 663 3HD1 LEU 107 3HD1 LEU 107 3.089 -4.093 -5.746 664 1HD2 LEU 107 1HD2 LEU 107 2.675 -7.263 -4.395 665 2HD2 LEU 107 2HD2 LEU 107 3.768 -6.701 -5.659 666 3HD2 LEU 107 3HD2 LEU 107 2.145 -6.023 -5.532 667 H THR 108 H THR 108 6.352 -8.723 -2.812 668 HA THR 108 HA THR 108 8.508 -7.681 -0.999 669 HB THR 108 HB THR 108 7.887 -10.564 -1.683 670 HG1 THR 108 HG1 THR 108 7.003 -9.057 0.547 671 1HG2 THR 108 1HG2 THR 108 9.683 -9.110 0.193 672 2HG2 THR 108 2HG2 THR 108 9.949 -10.623 -0.673 673 3HG2 THR 108 3HG2 THR 108 8.945 -10.601 0.778 674 H PHE 109 H PHE 109 10.710 -8.698 -1.631 675 HA PHE 109 HA PHE 109 10.955 -9.259 -4.543 676 1HB PHE 109 2HB PHE 109 11.809 -6.826 -3.050 677 2HB PHE 109 1HB PHE 109 12.924 -7.441 -4.269 678 HD1 PHE 109 HD1 PHE 109 9.648 -5.910 -3.662 679 HD2 PHE 109 HD2 PHE 109 12.252 -7.590 -6.638 680 HE1 PHE 109 HE1 PHE 109 8.245 -4.917 -5.451 681 HE2 PHE 109 HE2 PHE 109 10.850 -6.597 -8.426 682 HZ PHE 109 HZ PHE 109 8.846 -5.260 -7.833 683 H GLY 110 H GLY 110 11.634 -11.388 -3.717 684 1HA GLY 110 2HA GLY 110 13.631 -12.753 -3.604 685 2HA GLY 110 1HA GLY 110 14.493 -11.379 -2.906 Start of MODEL 17 1 1H ALA 1 1H ALA 1 -19.879 -8.145 1.278 2 2H ALA 1 2H ALA 1 -19.342 -7.691 -0.269 3 3H ALA 1 3H ALA 1 -19.469 -6.528 0.963 4 HA ALA 1 HA ALA 1 -17.544 -7.171 1.989 5 1HB ALA 1 1HB ALA 1 -18.746 -9.731 1.281 6 2HB ALA 1 2HB ALA 1 -17.723 -9.326 2.660 7 3HB ALA 1 3HB ALA 1 -16.990 -9.772 1.119 8 HA PRO 2 HA PRO 2 -15.724 -6.163 -2.031 9 1HB PRO 2 2HB PRO 2 -13.785 -4.537 -0.990 10 2HB PRO 2 1HB PRO 2 -15.449 -3.996 -1.296 11 1HG PRO 2 2HG PRO 2 -14.180 -4.853 1.265 12 2HG PRO 2 1HG PRO 2 -15.315 -3.527 0.957 13 1HD PRO 2 2HD PRO 2 -16.081 -5.899 2.037 14 2HD PRO 2 1HD PRO 2 -17.154 -4.907 1.024 15 H ALA 3 H ALA 3 -13.451 -6.512 -2.867 16 HA ALA 3 HA ALA 3 -11.638 -8.089 -1.143 17 1HB ALA 3 1HB ALA 3 -12.652 -9.330 -3.692 18 2HB ALA 3 2HB ALA 3 -13.580 -9.495 -2.201 19 3HB ALA 3 3HB ALA 3 -11.934 -10.121 -2.289 20 H PHE 4 H PHE 4 -9.518 -7.988 -1.902 21 HA PHE 4 HA PHE 4 -8.972 -7.106 -4.689 22 1HB PHE 4 2HB PHE 4 -9.285 -5.039 -3.404 23 2HB PHE 4 1HB PHE 4 -8.164 -5.612 -2.168 24 HD1 PHE 4 HD1 PHE 4 -8.496 -4.003 -5.397 25 HD2 PHE 4 HD2 PHE 4 -5.738 -6.008 -2.785 26 HE1 PHE 4 HE1 PHE 4 -6.597 -3.076 -6.693 27 HE2 PHE 4 HE2 PHE 4 -3.837 -5.081 -4.083 28 HZ PHE 4 HZ PHE 4 -4.267 -3.615 -6.036 29 H SER 5 H SER 5 -7.423 -8.606 -5.330 30 HA SER 5 HA SER 5 -5.103 -9.048 -3.518 31 1HB SER 5 2HB SER 5 -6.560 -10.769 -2.790 32 2HB SER 5 1HB SER 5 -7.111 -11.109 -4.428 33 HG SER 5 HG SER 5 -5.522 -12.464 -4.575 34 H VAL 6 H VAL 6 -3.356 -10.280 -4.630 35 HA VAL 6 HA VAL 6 -3.458 -9.950 -7.613 36 HB VAL 6 HB VAL 6 -2.053 -8.350 -6.143 37 1HG1 VAL 6 1HG1 VAL 6 0.061 -10.438 -6.098 38 2HG1 VAL 6 2HG1 VAL 6 -1.233 -10.622 -4.914 39 3HG1 VAL 6 3HG1 VAL 6 -0.271 -9.144 -4.945 40 1HG2 VAL 6 1HG2 VAL 6 -0.923 -8.009 -8.070 41 2HG2 VAL 6 2HG2 VAL 6 -1.592 -9.524 -8.671 42 3HG2 VAL 6 3HG2 VAL 6 -0.026 -9.513 -7.859 43 H SER 7 H SER 7 -1.570 -11.381 -8.598 44 HA SER 7 HA SER 7 -2.071 -14.134 -7.761 45 1HB SER 7 2HB SER 7 -0.709 -12.662 -9.949 46 2HB SER 7 1HB SER 7 -0.144 -14.302 -9.647 47 HG SER 7 HG SER 7 -1.974 -14.036 -11.144 48 HA PRO 8 HA PRO 8 2.531 -14.268 -6.614 49 1HB PRO 8 2HB PRO 8 4.129 -12.092 -7.058 50 2HB PRO 8 1HB PRO 8 3.854 -13.361 -8.268 51 1HG PRO 8 2HG PRO 8 2.650 -10.649 -8.071 52 2HG PRO 8 1HG PRO 8 3.122 -11.576 -9.501 53 1HD PRO 8 2HD PRO 8 0.530 -11.321 -8.624 54 2HD PRO 8 1HD PRO 8 1.130 -12.675 -9.607 55 H ALA 9 H ALA 9 2.620 -10.740 -6.250 56 HA ALA 9 HA ALA 9 2.268 -9.364 -4.346 57 1HB ALA 9 1HB ALA 9 1.334 -11.545 -2.612 58 2HB ALA 9 2HB ALA 9 0.463 -11.453 -4.142 59 3HB ALA 9 3HB ALA 9 0.516 -10.052 -3.073 60 H SER 10 H SER 10 4.706 -11.084 -4.851 61 HA SER 10 HA SER 10 6.262 -10.416 -2.576 62 1HB SER 10 2HB SER 10 4.438 -12.555 -2.139 63 2HB SER 10 1HB SER 10 6.048 -13.263 -2.189 64 HG SER 10 HG SER 10 6.655 -12.022 -0.511 65 H GLY 11 H GLY 11 8.239 -10.373 -3.568 66 1HA GLY 11 2HA GLY 11 10.138 -11.167 -4.715 67 2HA GLY 11 1HA GLY 11 9.390 -12.765 -4.738 68 H LEU 12 H LEU 12 8.919 -9.547 -6.240 69 HA LEU 12 HA LEU 12 7.940 -10.921 -8.705 70 1HB LEU 12 2HB LEU 12 7.840 -8.037 -7.767 71 2HB LEU 12 1HB LEU 12 7.064 -8.662 -9.223 72 HG LEU 12 HG LEU 12 6.258 -10.380 -7.143 73 1HD1 LEU 12 1HD1 LEU 12 6.966 -8.729 -5.496 74 2HD1 LEU 12 2HD1 LEU 12 5.204 -8.746 -5.572 75 3HD1 LEU 12 3HD1 LEU 12 6.109 -7.454 -6.360 76 1HD2 LEU 12 1HD2 LEU 12 4.775 -8.049 -8.403 77 2HD2 LEU 12 2HD2 LEU 12 4.043 -9.467 -7.653 78 3HD2 LEU 12 3HD2 LEU 12 4.966 -9.637 -9.147 79 H SER 13 H SER 13 8.779 -10.136 -10.791 80 HA SER 13 HA SER 13 11.615 -9.247 -10.593 81 1HB SER 13 2HB SER 13 11.266 -11.427 -11.596 82 2HB SER 13 1HB SER 13 10.039 -10.779 -12.678 83 HG SER 13 HG SER 13 11.588 -10.202 -13.967 84 H ASP 14 H ASP 14 12.343 -7.567 -12.026 85 HA ASP 14 HA ASP 14 10.528 -5.410 -12.502 86 1HB ASP 14 2HB ASP 14 12.500 -4.498 -13.751 87 2HB ASP 14 1HB ASP 14 12.925 -5.140 -12.163 88 H GLY 15 H GLY 15 9.118 -5.083 -14.168 89 1HA GLY 15 2HA GLY 15 8.394 -5.042 -16.441 90 2HA GLY 15 1HA GLY 15 9.712 -6.131 -16.847 91 H GLN 16 H GLN 16 8.969 -7.957 -14.605 92 HA GLN 16 HA GLN 16 7.430 -9.855 -15.988 93 1HB GLN 16 2HB GLN 16 8.821 -10.030 -13.850 94 2HB GLN 16 1HB GLN 16 7.395 -9.438 -12.996 95 1HG GLN 16 2HG GLN 16 6.375 -11.431 -14.635 96 2HG GLN 16 1HG GLN 16 7.922 -12.092 -14.106 97 1HE2 GLN 16 1HE2 GLN 16 5.787 -13.430 -13.087 98 2HE2 GLN 16 2HE2 GLN 16 5.501 -13.013 -11.467 99 H SER 17 H SER 17 5.224 -10.261 -16.167 100 HA SER 17 HA SER 17 3.405 -8.058 -15.336 101 1HB SER 17 2HB SER 17 3.752 -9.523 -17.648 102 2HB SER 17 1HB SER 17 2.367 -10.322 -16.910 103 HG SER 17 HG SER 17 2.603 -7.812 -18.013 104 H VAL 18 H VAL 18 1.535 -8.509 -14.077 105 HA VAL 18 HA VAL 18 1.422 -11.210 -12.804 106 HB VAL 18 HB VAL 18 0.847 -9.925 -10.708 107 1HG1 VAL 18 1HG1 VAL 18 3.256 -10.616 -11.623 108 2HG1 VAL 18 2HG1 VAL 18 3.075 -9.680 -10.140 109 3HG1 VAL 18 3HG1 VAL 18 3.479 -8.867 -11.654 110 1HG2 VAL 18 1HG2 VAL 18 1.351 -7.508 -10.691 111 2HG2 VAL 18 2HG2 VAL 18 0.070 -7.866 -11.849 112 3HG2 VAL 18 3HG2 VAL 18 1.713 -7.567 -12.416 113 H SER 19 H SER 19 -0.825 -11.248 -11.506 114 HA SER 19 HA SER 19 -2.908 -10.145 -13.357 115 1HB SER 19 2HB SER 19 -2.242 -12.743 -12.997 116 2HB SER 19 1HB SER 19 -3.453 -12.565 -11.733 117 HG SER 19 HG SER 19 -4.015 -11.475 -14.238 118 H VAL 20 H VAL 20 -4.512 -8.995 -12.403 119 HA VAL 20 HA VAL 20 -4.593 -8.909 -9.410 120 HB VAL 20 HB VAL 20 -4.922 -6.875 -11.612 121 1HG1 VAL 20 1HG1 VAL 20 -5.850 -6.465 -8.751 122 2HG1 VAL 20 2HG1 VAL 20 -6.945 -6.761 -10.103 123 3HG1 VAL 20 3HG1 VAL 20 -5.949 -5.305 -10.077 124 1HG2 VAL 20 1HG2 VAL 20 -3.438 -5.582 -10.071 125 2HG2 VAL 20 2HG2 VAL 20 -2.726 -7.114 -10.576 126 3HG2 VAL 20 3HG2 VAL 20 -3.436 -6.958 -8.969 127 H SER 21 H SER 21 -6.714 -8.888 -8.456 128 HA SER 21 HA SER 21 -9.017 -9.276 -10.298 129 1HB SER 21 2HB SER 21 -7.927 -11.475 -9.821 130 2HB SER 21 1HB SER 21 -8.217 -11.214 -8.104 131 HG SER 21 HG SER 21 -10.163 -11.907 -8.430 132 H VAL 22 H VAL 22 -10.665 -8.048 -9.539 133 HA VAL 22 HA VAL 22 -10.744 -7.398 -6.612 134 HB VAL 22 HB VAL 22 -11.774 -5.952 -9.074 135 1HG1 VAL 22 1HG1 VAL 22 -13.100 -4.795 -7.673 136 2HG1 VAL 22 2HG1 VAL 22 -11.668 -4.274 -6.786 137 3HG1 VAL 22 3HG1 VAL 22 -12.516 -5.743 -6.304 138 1HG2 VAL 22 1HG2 VAL 22 -10.011 -4.316 -8.522 139 2HG2 VAL 22 2HG2 VAL 22 -9.313 -5.912 -8.801 140 3HG2 VAL 22 3HG2 VAL 22 -9.510 -5.311 -7.155 141 H SER 23 H SER 23 -12.692 -7.815 -5.506 142 HA SER 23 HA SER 23 -15.135 -8.493 -7.005 143 1HB SER 23 2HB SER 23 -13.267 -10.457 -6.527 144 2HB SER 23 1HB SER 23 -14.358 -10.641 -5.157 145 HG SER 23 HG SER 23 -14.908 -11.802 -7.165 146 H GLY 24 H GLY 24 -16.982 -8.305 -5.695 147 1HA GLY 24 2HA GLY 24 -17.915 -8.491 -3.364 148 2HA GLY 24 1HA GLY 24 -16.461 -7.654 -2.828 149 H ALA 25 H ALA 25 -16.177 -5.545 -4.460 150 HA ALA 25 HA ALA 25 -18.125 -3.666 -3.592 151 1HB ALA 25 1HB ALA 25 -17.002 -2.218 -5.289 152 2HB ALA 25 2HB ALA 25 -16.220 -3.650 -5.957 153 3HB ALA 25 3HB ALA 25 -15.842 -3.121 -4.316 154 H ALA 26 H ALA 26 -18.636 -2.332 -6.182 155 HA ALA 26 HA ALA 26 -20.154 -4.129 -7.895 156 1HB ALA 26 1HB ALA 26 -21.647 -4.211 -6.014 157 2HB ALA 26 2HB ALA 26 -22.382 -3.099 -7.168 158 3HB ALA 26 3HB ALA 26 -21.522 -2.471 -5.762 159 H ALA 27 H ALA 27 -21.543 -2.800 -9.445 160 HA ALA 27 HA ALA 27 -19.999 -0.745 -10.661 161 1HB ALA 27 1HB ALA 27 -22.765 -1.857 -10.866 162 2HB ALA 27 2HB ALA 27 -21.480 -1.823 -12.074 163 3HB ALA 27 3HB ALA 27 -22.404 -0.362 -11.729 164 H GLY 28 H GLY 28 -19.882 1.413 -10.261 165 1HA GLY 28 2HA GLY 28 -21.249 3.485 -9.791 166 2HA GLY 28 1HA GLY 28 -21.905 2.593 -8.421 167 H GLU 29 H GLU 29 -18.576 1.995 -9.049 168 HA GLU 29 HA GLU 29 -17.692 4.137 -7.188 169 1HB GLU 29 2HB GLU 29 -17.589 1.154 -6.693 170 2HB GLU 29 1HB GLU 29 -16.609 2.309 -5.789 171 1HG GLU 29 2HG GLU 29 -19.634 2.354 -5.979 172 2HG GLU 29 1HG GLU 29 -18.705 1.793 -4.589 173 H THR 30 H THR 30 -15.671 4.836 -7.783 174 HA THR 30 HA THR 30 -14.187 3.211 -9.802 175 HB THR 30 HB THR 30 -14.318 6.134 -9.043 176 HG1 THR 30 HG1 THR 30 -15.148 6.318 -11.026 177 1HG2 THR 30 1HG2 THR 30 -12.238 4.694 -10.694 178 2HG2 THR 30 2HG2 THR 30 -11.981 5.807 -9.351 179 3HG2 THR 30 3HG2 THR 30 -12.573 6.413 -10.898 180 H TYR 31 H TYR 31 -11.782 3.228 -9.576 181 HA TYR 31 HA TYR 31 -10.718 3.757 -6.865 182 1HB TYR 31 2HB TYR 31 -10.653 1.034 -8.206 183 2HB TYR 31 1HB TYR 31 -9.976 1.430 -6.626 184 HD1 TYR 31 HD1 TYR 31 -12.922 0.430 -8.433 185 HD2 TYR 31 HD2 TYR 31 -11.562 2.285 -4.808 186 HE1 TYR 31 HE1 TYR 31 -15.119 -0.029 -7.377 187 HE2 TYR 31 HE2 TYR 31 -13.758 1.828 -3.751 188 HH TYR 31 HH TYR 31 -15.674 -0.093 -4.261 189 H TYR 32 H TYR 32 -8.282 3.153 -6.883 190 HA TYR 32 HA TYR 32 -7.079 3.565 -9.595 191 1HB TYR 32 2HB TYR 32 -6.643 5.039 -6.988 192 2HB TYR 32 1HB TYR 32 -5.474 5.109 -8.306 193 HD1 TYR 32 HD1 TYR 32 -9.057 5.731 -7.464 194 HD2 TYR 32 HD2 TYR 32 -5.816 6.525 -10.165 195 HE1 TYR 32 HE1 TYR 32 -10.426 7.463 -8.596 196 HE2 TYR 32 HE2 TYR 32 -7.183 8.255 -11.299 197 HH TYR 32 HH TYR 32 -9.182 9.221 -11.435 198 H ILE 33 H ILE 33 -6.128 1.501 -9.781 199 HA ILE 33 HA ILE 33 -4.768 0.317 -7.429 200 HB ILE 33 HB ILE 33 -6.225 -0.970 -9.010 201 1HG1 ILE 33 2HG1 ILE 33 -3.447 -2.046 -9.349 202 2HG1 ILE 33 1HG1 ILE 33 -4.080 -1.847 -7.718 203 1HG2 ILE 33 1HG2 ILE 33 -4.011 -0.935 -11.018 204 2HG2 ILE 33 2HG2 ILE 33 -5.112 0.439 -10.980 205 3HG2 ILE 33 3HG2 ILE 33 -5.740 -1.181 -11.259 206 1HD1 ILE 33 1HD1 ILE 33 -6.137 -3.035 -9.292 207 2HD1 ILE 33 2HD1 ILE 33 -5.251 -3.752 -7.946 208 3HD1 ILE 33 3HD1 ILE 33 -4.650 -3.933 -9.593 209 H ALA 34 H ALA 34 -2.766 1.238 -7.045 210 HA ALA 34 HA ALA 34 -0.804 1.151 -9.279 211 1HB ALA 34 1HB ALA 34 -0.898 3.617 -7.597 212 2HB ALA 34 2HB ALA 34 -2.143 3.426 -8.830 213 3HB ALA 34 3HB ALA 34 -0.440 3.433 -9.290 214 H GLN 35 H GLN 35 1.418 1.228 -8.514 215 HA GLN 35 HA GLN 35 1.725 0.183 -5.750 216 1HB GLN 35 2HB GLN 35 2.676 -0.646 -8.133 217 2HB GLN 35 1HB GLN 35 3.982 0.452 -7.684 218 1HG GLN 35 2HG GLN 35 4.696 -0.880 -5.976 219 2HG GLN 35 1HG GLN 35 3.057 -1.348 -5.524 220 1HE2 GLN 35 1HE2 GLN 35 5.887 -2.543 -6.921 221 2HE2 GLN 35 2HE2 GLN 35 5.226 -3.878 -7.735 222 H CYS 36 H CYS 36 2.391 1.584 -4.160 223 HA CYS 36 HA CYS 36 4.166 3.864 -4.940 224 1HB CYS 36 2HB CYS 36 2.060 4.307 -2.858 225 2HB CYS 36 1HB CYS 36 2.735 5.446 -4.012 226 H ALA 37 H ALA 37 5.524 4.599 -3.192 227 HA ALA 37 HA ALA 37 5.506 3.027 -0.670 228 1HB ALA 37 1HB ALA 37 7.726 3.198 -2.727 229 2HB ALA 37 2HB ALA 37 6.908 1.744 -2.156 230 3HB ALA 37 3HB ALA 37 7.989 2.627 -1.080 231 HA PRO 38 HA PRO 38 6.818 6.842 1.043 232 1HB PRO 38 2HB PRO 38 8.709 6.125 2.887 233 2HB PRO 38 1HB PRO 38 6.971 5.861 3.114 234 1HG PRO 38 2HG PRO 38 9.078 3.936 2.261 235 2HG PRO 38 1HG PRO 38 7.693 3.687 3.336 236 1HD PRO 38 2HD PRO 38 7.721 2.866 0.739 237 2HD PRO 38 1HD PRO 38 6.233 3.329 1.597 238 H VAL 39 H VAL 39 8.606 8.379 1.114 239 HA VAL 39 HA VAL 39 11.112 7.549 -0.274 240 HB VAL 39 HB VAL 39 10.773 9.578 -1.773 241 1HG1 VAL 39 1HG1 VAL 39 8.529 7.575 -2.060 242 2HG1 VAL 39 2HG1 VAL 39 10.211 7.125 -2.337 243 3HG1 VAL 39 3HG1 VAL 39 9.456 8.369 -3.333 244 1HG2 VAL 39 1HG2 VAL 39 7.864 9.390 -1.041 245 2HG2 VAL 39 2HG2 VAL 39 8.733 10.719 -1.805 246 3HG2 VAL 39 3HG2 VAL 39 8.931 10.412 -0.080 247 H GLY 40 H GLY 40 11.392 8.000 2.267 248 1HA GLY 40 2HA GLY 40 12.938 9.399 3.499 249 2HA GLY 40 1HA GLY 40 12.512 10.745 2.443 250 H GLY 41 H GLY 41 9.595 10.187 2.717 251 1HA GLY 41 2HA GLY 41 8.838 10.298 5.479 252 2HA GLY 41 1HA GLY 41 8.983 11.937 4.850 253 H GLN 42 H GLN 42 8.043 11.633 2.272 254 HA GLN 42 HA GLN 42 5.153 11.254 2.768 255 1HB GLN 42 2HB GLN 42 6.933 12.505 0.709 256 2HB GLN 42 1HB GLN 42 5.285 12.085 0.241 257 1HG GLN 42 2HG GLN 42 4.784 13.279 2.614 258 2HG GLN 42 1HG GLN 42 6.240 14.156 2.143 259 1HE2 GLN 42 1HE2 GLN 42 2.850 13.625 1.352 260 2HE2 GLN 42 2HE2 GLN 42 2.758 14.800 0.131 261 H ASP 43 H ASP 43 4.232 10.442 0.306 262 HA ASP 43 HA ASP 43 5.528 7.776 -0.147 263 1HB ASP 43 2HB ASP 43 3.059 7.026 -0.428 264 2HB ASP 43 1HB ASP 43 3.636 7.332 1.211 265 H ALA 44 H ALA 44 6.287 7.920 -2.232 266 HA ALA 44 HA ALA 44 4.748 9.460 -4.260 267 1HB ALA 44 1HB ALA 44 7.299 9.557 -3.772 268 2HB ALA 44 2HB ALA 44 6.794 9.455 -5.459 269 3HB ALA 44 3HB ALA 44 7.375 8.014 -4.622 270 H CYS 45 H CYS 45 4.234 8.408 -6.335 271 HA CYS 45 HA CYS 45 4.156 5.418 -6.209 272 1HB CYS 45 2HB CYS 45 2.026 6.742 -5.520 273 2HB CYS 45 1HB CYS 45 1.879 7.103 -7.242 274 H ASN 46 H ASN 46 3.714 4.473 -8.420 275 HA ASN 46 HA ASN 46 5.331 5.872 -10.443 276 1HB ASN 46 2HB ASN 46 5.034 3.305 -9.730 277 2HB ASN 46 1HB ASN 46 3.807 3.368 -10.994 278 1HD2 ASN 46 1HD2 ASN 46 5.295 5.453 -12.549 279 2HD2 ASN 46 2HD2 ASN 46 6.604 4.642 -13.264 280 HA PRO 47 HA PRO 47 1.505 7.554 -12.078 281 1HB PRO 47 2HB PRO 47 2.688 9.448 -13.643 282 2HB PRO 47 1HB PRO 47 2.438 9.656 -11.897 283 1HG PRO 47 2HG PRO 47 4.914 8.982 -13.383 284 2HG PRO 47 1HG PRO 47 4.706 9.913 -11.893 285 1HD PRO 47 2HD PRO 47 5.560 7.271 -12.028 286 2HD PRO 47 1HD PRO 47 4.900 8.067 -10.586 287 H ALA 48 H ALA 48 4.405 6.751 -13.959 288 HA ALA 48 HA ALA 48 3.187 6.594 -16.538 289 1HB ALA 48 1HB ALA 48 5.570 5.275 -15.228 290 2HB ALA 48 2HB ALA 48 5.567 6.680 -16.293 291 3HB ALA 48 3HB ALA 48 5.207 5.080 -16.942 292 H THR 49 H THR 49 3.618 4.148 -13.990 293 HA THR 49 HA THR 49 2.138 2.153 -15.625 294 HB THR 49 HB THR 49 2.783 0.817 -13.431 295 HG1 THR 49 HG1 THR 49 4.045 1.859 -12.130 296 1HG2 THR 49 1HG2 THR 49 4.461 1.709 -15.738 297 2HG2 THR 49 2HG2 THR 49 3.885 0.093 -15.329 298 3HG2 THR 49 3HG2 THR 49 5.239 0.796 -14.445 299 H ALA 50 H ALA 50 1.276 4.628 -13.624 300 HA ALA 50 HA ALA 50 -0.541 3.405 -11.761 301 1HB ALA 50 1HB ALA 50 -1.556 5.817 -11.988 302 2HB ALA 50 2HB ALA 50 -0.162 6.110 -13.026 303 3HB ALA 50 3HB ALA 50 0.076 5.633 -11.344 304 H THR 51 H THR 51 -2.535 2.487 -12.161 305 HA THR 51 HA THR 51 -3.876 3.145 -14.750 306 HB THR 51 HB THR 51 -2.910 0.981 -14.983 307 HG1 THR 51 HG1 THR 51 -5.209 1.152 -15.424 308 1HG2 THR 51 1HG2 THR 51 -3.779 -0.667 -12.981 309 2HG2 THR 51 2HG2 THR 51 -3.518 0.839 -12.104 310 3HG2 THR 51 3HG2 THR 51 -2.195 0.108 -13.012 311 H SER 52 H SER 52 -5.980 3.775 -14.519 312 HA SER 52 HA SER 52 -7.259 3.513 -11.832 313 1HB SER 52 2HB SER 52 -8.684 5.154 -13.720 314 2HB SER 52 1HB SER 52 -7.857 5.655 -12.249 315 HG SER 52 HG SER 52 -7.116 5.942 -14.829 316 H PHE 53 H PHE 53 -9.168 2.321 -11.629 317 HA PHE 53 HA PHE 53 -10.509 1.384 -14.131 318 1HB PHE 53 2HB PHE 53 -10.414 -0.914 -13.305 319 2HB PHE 53 1HB PHE 53 -8.779 -0.249 -13.343 320 HD1 PHE 53 HD1 PHE 53 -11.251 -1.833 -11.314 321 HD2 PHE 53 HD2 PHE 53 -7.928 0.883 -11.152 322 HE1 PHE 53 HE1 PHE 53 -11.012 -2.270 -8.884 323 HE2 PHE 53 HE2 PHE 53 -7.689 0.447 -8.724 324 HZ PHE 53 HZ PHE 53 -9.231 -1.129 -7.588 325 H THR 54 H THR 54 -12.615 0.206 -13.490 326 HA THR 54 HA THR 54 -13.794 1.354 -11.002 327 HB THR 54 HB THR 54 -14.983 1.288 -13.791 328 HG1 THR 54 HG1 THR 54 -13.873 3.056 -13.937 329 1HG2 THR 54 1HG2 THR 54 -16.052 2.013 -11.091 330 2HG2 THR 54 2HG2 THR 54 -16.849 1.166 -12.416 331 3HG2 THR 54 3HG2 THR 54 -16.615 2.913 -12.499 332 H THR 55 H THR 55 -15.789 0.114 -10.331 333 HA THR 55 HA THR 55 -15.350 -2.759 -10.652 334 HB THR 55 HB THR 55 -17.701 -2.589 -9.364 335 HG1 THR 55 HG1 THR 55 -18.149 -0.517 -9.427 336 1HG2 THR 55 1HG2 THR 55 -15.007 -1.789 -8.234 337 2HG2 THR 55 2HG2 THR 55 -15.625 -3.434 -8.392 338 3HG2 THR 55 3HG2 THR 55 -16.391 -2.307 -7.273 339 H ASP 56 H ASP 56 -17.925 -3.805 -10.800 340 HA ASP 56 HA ASP 56 -19.106 -2.782 -13.347 341 1HB ASP 56 2HB ASP 56 -17.719 -5.405 -12.836 342 2HB ASP 56 1HB ASP 56 -19.023 -5.334 -14.018 343 H ALA 57 H ALA 57 -20.817 -5.075 -13.705 344 HA ALA 57 HA ALA 57 -22.944 -4.491 -11.921 345 1HB ALA 57 1HB ALA 57 -23.690 -6.853 -12.810 346 2HB ALA 57 2HB ALA 57 -22.239 -6.722 -13.803 347 3HB ALA 57 3HB ALA 57 -23.521 -5.519 -13.951 348 H SER 58 H SER 58 -20.709 -7.260 -11.929 349 HA SER 58 HA SER 58 -21.665 -8.079 -9.252 350 1HB SER 58 2HB SER 58 -21.275 -9.852 -10.794 351 2HB SER 58 1HB SER 58 -19.759 -9.147 -11.346 352 HG SER 58 HG SER 58 -19.673 -10.977 -9.792 353 H GLY 59 H GLY 59 -20.027 -5.546 -9.942 354 1HA GLY 59 2HA GLY 59 -18.200 -4.361 -9.056 355 2HA GLY 59 1HA GLY 59 -18.540 -5.275 -7.590 356 H ALA 60 H ALA 60 -17.610 -6.777 -10.631 357 HA ALA 60 HA ALA 60 -15.116 -7.735 -9.287 358 1HB ALA 60 1HB ALA 60 -15.441 -9.730 -10.442 359 2HB ALA 60 2HB ALA 60 -16.275 -8.934 -11.777 360 3HB ALA 60 3HB ALA 60 -17.111 -9.198 -10.246 361 H ALA 61 H ALA 61 -13.135 -7.390 -10.284 362 HA ALA 61 HA ALA 61 -13.081 -6.262 -13.034 363 1HB ALA 61 1HB ALA 61 -11.999 -4.284 -12.334 364 2HB ALA 61 2HB ALA 61 -11.567 -4.972 -10.768 365 3HB ALA 61 3HB ALA 61 -13.238 -4.521 -11.102 366 H SER 62 H SER 62 -12.097 -8.381 -13.481 367 HA SER 62 HA SER 62 -9.424 -8.853 -12.252 368 1HB SER 62 2HB SER 62 -9.705 -11.076 -13.294 369 2HB SER 62 1HB SER 62 -11.110 -10.661 -12.319 370 HG SER 62 HG SER 62 -11.009 -11.263 -14.902 371 H PHE 63 H PHE 63 -7.678 -8.087 -13.367 372 HA PHE 63 HA PHE 63 -7.657 -8.292 -16.332 373 1HB PHE 63 2HB PHE 63 -6.918 -5.839 -16.377 374 2HB PHE 63 1HB PHE 63 -8.621 -6.139 -16.039 375 HD1 PHE 63 HD1 PHE 63 -9.350 -6.270 -13.569 376 HD2 PHE 63 HD2 PHE 63 -5.588 -4.639 -14.849 377 HE1 PHE 63 HE1 PHE 63 -9.135 -5.070 -11.410 378 HE2 PHE 63 HE2 PHE 63 -5.372 -3.439 -12.688 379 HZ PHE 63 HZ PHE 63 -7.147 -3.654 -10.968 380 H SER 64 H SER 64 -5.410 -7.350 -17.100 381 HA SER 64 HA SER 64 -3.334 -8.644 -15.409 382 1HB SER 64 2HB SER 64 -2.043 -8.284 -17.600 383 2HB SER 64 1HB SER 64 -3.422 -9.377 -17.671 384 HG SER 64 HG SER 64 -4.466 -7.976 -18.872 385 H PHE 65 H PHE 65 -1.657 -7.508 -14.504 386 HA PHE 65 HA PHE 65 -1.422 -4.573 -15.084 387 1HB PHE 65 2HB PHE 65 -2.644 -4.921 -13.000 388 2HB PHE 65 1HB PHE 65 -1.442 -6.084 -12.446 389 HD1 PHE 65 HD1 PHE 65 0.122 -5.315 -10.917 390 HD2 PHE 65 HD2 PHE 65 -1.537 -2.565 -13.768 391 HE1 PHE 65 HE1 PHE 65 1.439 -3.475 -9.908 392 HE2 PHE 65 HE2 PHE 65 -0.217 -0.723 -12.758 393 HZ PHE 65 HZ PHE 65 1.271 -1.181 -10.829 394 H VAL 66 H VAL 66 0.847 -3.829 -14.055 395 HA VAL 66 HA VAL 66 2.852 -6.006 -14.584 396 HB VAL 66 HB VAL 66 3.296 -3.073 -15.126 397 1HG1 VAL 66 1HG1 VAL 66 4.778 -4.208 -16.930 398 2HG1 VAL 66 2HG1 VAL 66 4.529 -5.685 -16.001 399 3HG1 VAL 66 3HG1 VAL 66 5.317 -4.294 -15.253 400 1HG2 VAL 66 1HG2 VAL 66 2.559 -3.447 -17.440 401 2HG2 VAL 66 2HG2 VAL 66 1.234 -3.786 -16.327 402 3HG2 VAL 66 3HG2 VAL 66 2.137 -5.115 -17.051 403 H VAL 67 H VAL 67 4.868 -5.783 -13.395 404 HA VAL 67 HA VAL 67 4.742 -3.963 -11.017 405 HB VAL 67 HB VAL 67 5.396 -5.846 -9.613 406 1HG1 VAL 67 1HG1 VAL 67 3.405 -7.343 -9.976 407 2HG1 VAL 67 2HG1 VAL 67 3.094 -6.473 -11.479 408 3HG1 VAL 67 3HG1 VAL 67 3.011 -5.624 -9.935 409 1HG2 VAL 67 1HG2 VAL 67 5.347 -8.164 -10.823 410 2HG2 VAL 67 2HG2 VAL 67 6.803 -7.177 -10.943 411 3HG2 VAL 67 3HG2 VAL 67 5.654 -7.220 -12.281 412 H ARG 68 H ARG 68 6.642 -2.849 -10.811 413 HA ARG 68 HA ARG 68 9.062 -3.931 -12.217 414 1HB ARG 68 2HB ARG 68 8.039 -1.135 -11.657 415 2HB ARG 68 1HB ARG 68 9.664 -1.451 -12.266 416 1HG ARG 68 2HG ARG 68 8.491 -1.134 -14.256 417 2HG ARG 68 1HG ARG 68 8.393 -2.887 -14.074 418 1HD ARG 68 2HD ARG 68 6.174 -1.785 -14.621 419 2HD ARG 68 1HD ARG 68 6.156 -2.704 -13.102 420 HE ARG 68 HE ARG 68 6.744 0.224 -13.072 421 1HH1 ARG 68 1HH2 ARG 68 4.136 -1.849 -12.875 422 2HH1 ARG 68 2HH2 ARG 68 3.608 -1.333 -11.308 423 1HH2 ARG 68 1HH1 ARG 68 6.419 0.607 -10.708 424 2HH2 ARG 68 2HH1 ARG 68 4.900 0.057 -10.081 425 H LYS 69 H LYS 69 11.019 -3.965 -11.053 426 HA LYS 69 HA LYS 69 10.987 -4.258 -8.234 427 1HB LYS 69 2HB LYS 69 12.707 -4.985 -9.982 428 2HB LYS 69 1HB LYS 69 13.320 -3.332 -9.928 429 1HG LYS 69 2HG LYS 69 14.057 -3.535 -7.717 430 2HG LYS 69 1HG LYS 69 12.963 -4.876 -7.375 431 1HD LYS 69 2HD LYS 69 14.314 -6.436 -8.476 432 2HD LYS 69 1HD LYS 69 15.113 -5.202 -9.450 433 1HE LYS 69 2HE LYS 69 16.796 -5.193 -7.932 434 2HE LYS 69 1HE LYS 69 15.650 -4.545 -6.740 435 1HZ LYS 69 1HZ LYS 69 15.001 -6.694 -6.101 436 2HZ LYS 69 2HZ LYS 69 16.696 -6.763 -6.177 437 3HZ LYS 69 3HZ LYS 69 15.757 -7.421 -7.432 438 H SER 70 H SER 70 11.728 -1.423 -10.244 439 HA SER 70 HA SER 70 11.203 0.345 -7.922 440 1HB SER 70 2HB SER 70 13.697 0.819 -9.496 441 2HB SER 70 1HB SER 70 13.360 1.186 -7.807 442 HG SER 70 HG SER 70 14.226 -1.175 -9.011 443 H TYR 71 H TYR 71 11.102 2.674 -8.684 444 HA TYR 71 HA TYR 71 10.995 3.215 -11.549 445 1HB TYR 71 2HB TYR 71 8.580 3.441 -11.695 446 2HB TYR 71 1HB TYR 71 8.946 1.837 -11.063 447 HD1 TYR 71 HD1 TYR 71 8.142 1.151 -8.948 448 HD2 TYR 71 HD2 TYR 71 8.032 5.307 -10.029 449 HE1 TYR 71 HE1 TYR 71 6.802 1.642 -6.921 450 HE2 TYR 71 HE2 TYR 71 6.692 5.798 -8.001 451 HH TYR 71 HH TYR 71 6.247 4.834 -5.811 452 H THR 72 H THR 72 10.849 5.464 -11.941 453 HA THR 72 HA THR 72 11.565 7.232 -9.796 454 HB THR 72 HB THR 72 10.329 8.201 -12.343 455 HG1 THR 72 HG1 THR 72 12.494 6.454 -12.087 456 1HG2 THR 72 1HG2 THR 72 12.365 9.640 -12.296 457 2HG2 THR 72 2HG2 THR 72 12.861 8.835 -10.807 458 3HG2 THR 72 3HG2 THR 72 11.385 9.799 -10.838 459 H GLY 73 H GLY 73 10.176 7.946 -8.231 460 1HA GLY 73 2HA GLY 73 7.271 8.118 -8.888 461 2HA GLY 73 1HA GLY 73 7.935 8.008 -7.257 462 H SER 74 H SER 74 6.240 9.984 -7.393 463 HA SER 74 HA SER 74 7.902 12.404 -7.217 464 1HB SER 74 2HB SER 74 5.655 12.150 -9.236 465 2HB SER 74 1HB SER 74 6.599 13.606 -8.930 466 HG SER 74 HG SER 74 8.065 12.825 -10.203 467 H THR 75 H THR 75 6.825 14.056 -6.008 468 HA THR 75 HA THR 75 5.055 13.384 -3.986 469 HB THR 75 HB THR 75 4.583 15.833 -3.938 470 HG1 THR 75 HG1 THR 75 5.123 17.075 -5.626 471 1HG2 THR 75 1HG2 THR 75 7.239 14.601 -4.151 472 2HG2 THR 75 2HG2 THR 75 6.598 15.685 -2.917 473 3HG2 THR 75 3HG2 THR 75 7.240 16.344 -4.421 474 HA PRO 76 HA PRO 76 1.075 12.898 -5.748 475 1HB PRO 76 2HB PRO 76 -0.542 14.078 -3.886 476 2HB PRO 76 1HB PRO 76 0.267 12.520 -3.619 477 1HG PRO 76 2HG PRO 76 1.011 15.231 -2.637 478 2HG PRO 76 1HG PRO 76 1.124 13.663 -1.821 479 1HD PRO 76 2HD PRO 76 3.261 14.938 -2.961 480 2HD PRO 76 1HD PRO 76 3.155 13.176 -2.758 481 H GLU 77 H GLU 77 2.360 16.028 -5.208 482 HA GLU 77 HA GLU 77 0.105 17.487 -6.406 483 1HB GLU 77 2HB GLU 77 2.900 18.233 -5.508 484 2HB GLU 77 1HB GLU 77 1.715 19.400 -6.094 485 1HG GLU 77 2HG GLU 77 0.734 17.571 -3.986 486 2HG GLU 77 1HG GLU 77 1.982 18.706 -3.472 487 H GLY 78 H GLY 78 3.568 17.500 -7.237 488 1HA GLY 78 2HA GLY 78 3.487 16.453 -9.817 489 2HA GLY 78 1HA GLY 78 3.025 18.145 -10.007 490 H THR 79 H THR 79 5.424 16.512 -7.911 491 HA THR 79 HA THR 79 7.565 18.128 -9.225 492 HB THR 79 HB THR 79 6.822 18.006 -6.293 493 HG1 THR 79 HG1 THR 79 5.827 19.551 -7.755 494 1HG2 THR 79 1HG2 THR 79 9.419 18.441 -7.583 495 2HG2 THR 79 2HG2 THR 79 9.046 18.108 -5.893 496 3HG2 THR 79 3HG2 THR 79 8.941 19.756 -6.510 497 HA PRO 80 HA PRO 80 9.402 14.089 -8.851 498 1HB PRO 80 2HB PRO 80 11.763 14.708 -10.081 499 2HB PRO 80 1HB PRO 80 10.255 14.417 -10.971 500 1HG PRO 80 2HG PRO 80 11.580 16.989 -10.285 501 2HG PRO 80 1HG PRO 80 10.685 16.531 -11.742 502 1HD PRO 80 2HD PRO 80 9.648 18.073 -9.715 503 2HD PRO 80 1HD PRO 80 8.668 17.103 -10.836 504 H VAL 81 H VAL 81 10.281 13.439 -6.922 505 HA VAL 81 HA VAL 81 12.190 15.269 -5.528 506 HB VAL 81 HB VAL 81 9.992 14.454 -4.509 507 1HG1 VAL 81 1HG1 VAL 81 11.272 11.914 -3.737 508 2HG1 VAL 81 2HG1 VAL 81 10.829 12.010 -5.442 509 3HG1 VAL 81 3HG1 VAL 81 9.601 12.237 -4.196 510 1HG2 VAL 81 1HG2 VAL 81 10.986 14.134 -2.311 511 2HG2 VAL 81 2HG2 VAL 81 11.953 15.316 -3.193 512 3HG2 VAL 81 3HG2 VAL 81 12.520 13.654 -3.034 513 H GLY 82 H GLY 82 11.972 12.248 -7.185 514 1HA GLY 82 2HA GLY 82 14.574 11.659 -7.594 515 2HA GLY 82 1HA GLY 82 14.379 11.128 -5.924 516 H SER 83 H SER 83 14.837 8.938 -6.768 517 HA SER 83 HA SER 83 12.598 7.738 -8.328 518 1HB SER 83 2HB SER 83 14.332 5.856 -8.469 519 2HB SER 83 1HB SER 83 14.750 7.363 -9.276 520 HG SER 83 HG SER 83 15.801 6.183 -6.988 521 H VAL 84 H VAL 84 12.034 5.438 -7.599 522 HA VAL 84 HA VAL 84 12.179 5.147 -4.616 523 HB VAL 84 HB VAL 84 9.800 4.913 -6.484 524 1HG1 VAL 84 1HG1 VAL 84 10.027 4.320 -3.517 525 2HG1 VAL 84 2HG1 VAL 84 9.725 3.138 -4.790 526 3HG1 VAL 84 3HG1 VAL 84 8.517 4.372 -4.427 527 1HG2 VAL 84 1HG2 VAL 84 10.086 7.192 -5.968 528 2HG2 VAL 84 2HG2 VAL 84 10.665 6.845 -4.339 529 3HG2 VAL 84 3HG2 VAL 84 8.956 6.648 -4.729 530 H ASP 85 H ASP 85 11.775 2.859 -3.940 531 HA ASP 85 HA ASP 85 11.823 0.768 -6.004 532 1HB ASP 85 2HB ASP 85 14.049 -0.052 -5.301 533 2HB ASP 85 1HB ASP 85 14.148 1.596 -5.922 534 H CYS 86 H CYS 86 11.748 -1.411 -4.992 535 HA CYS 86 HA CYS 86 10.404 -1.308 -2.337 536 1HB CYS 86 2HB CYS 86 10.653 -3.394 -4.525 537 2HB CYS 86 1HB CYS 86 9.740 -3.638 -3.035 538 H ALA 87 H ALA 87 13.499 -1.482 -3.196 539 HA ALA 87 HA ALA 87 14.312 -3.930 -1.772 540 1HB ALA 87 1HB ALA 87 15.391 -2.894 -3.839 541 2HB ALA 87 2HB ALA 87 16.503 -3.293 -2.530 542 3HB ALA 87 3HB ALA 87 15.996 -1.622 -2.777 543 H THR 88 H THR 88 14.484 -0.400 -1.254 544 HA THR 88 HA THR 88 15.317 -0.934 1.578 545 HB THR 88 HB THR 88 16.824 0.358 0.001 546 HG1 THR 88 HG1 THR 88 15.794 1.889 2.150 547 1HG2 THR 88 1HG2 THR 88 15.978 2.044 -1.217 548 2HG2 THR 88 2HG2 THR 88 15.404 2.852 0.242 549 3HG2 THR 88 3HG2 THR 88 14.382 1.664 -0.569 550 H ALA 89 H ALA 89 12.634 -0.147 -0.242 551 HA ALA 89 HA ALA 89 11.399 1.295 2.060 552 1HB ALA 89 1HB ALA 89 11.635 1.987 -0.820 553 2HB ALA 89 2HB ALA 89 11.588 3.049 0.586 554 3HB ALA 89 3HB ALA 89 10.095 2.353 -0.045 555 H ALA 90 H ALA 90 9.415 0.461 2.658 556 HA ALA 90 HA ALA 90 8.457 -1.988 1.430 557 1HB ALA 90 1HB ALA 90 7.311 -0.082 3.489 558 2HB ALA 90 2HB ALA 90 8.261 -1.531 3.815 559 3HB ALA 90 3HB ALA 90 6.644 -1.675 3.129 560 H CYS 91 H CYS 91 7.599 -1.744 -0.633 561 HA CYS 91 HA CYS 91 5.761 0.534 -1.126 562 1HB CYS 91 2HB CYS 91 6.059 -0.176 -3.494 563 2HB CYS 91 1HB CYS 91 7.610 0.097 -2.698 564 H ASN 92 H ASN 92 3.563 0.181 -1.523 565 HA ASN 92 HA ASN 92 2.637 -2.669 -1.521 566 1HB ASN 92 2HB ASN 92 1.229 -0.370 -0.154 567 2HB ASN 92 1HB ASN 92 0.984 -2.099 0.099 568 1HD2 ASN 92 1HD2 ASN 92 2.319 0.516 1.604 569 2HD2 ASN 92 2HD2 ASN 92 3.565 -0.245 2.469 570 H LEU 93 H LEU 93 0.910 -3.109 -2.904 571 HA LEU 93 HA LEU 93 0.250 -1.029 -4.897 572 1HB LEU 93 2HB LEU 93 0.772 -3.221 -5.724 573 2HB LEU 93 1HB LEU 93 -0.293 -3.990 -4.546 574 HG LEU 93 HG LEU 93 -2.254 -2.980 -5.635 575 1HD1 LEU 93 1HD1 LEU 93 -0.376 -1.182 -6.661 576 2HD1 LEU 93 2HD1 LEU 93 -2.084 -1.263 -7.091 577 3HD1 LEU 93 3HD1 LEU 93 -0.889 -2.119 -8.064 578 1HD2 LEU 93 1HD2 LEU 93 -1.897 -4.112 -7.952 579 2HD2 LEU 93 2HD2 LEU 93 -1.776 -5.121 -6.511 580 3HD2 LEU 93 3HD2 LEU 93 -0.312 -4.563 -7.320 581 H GLY 94 H GLY 94 -1.204 0.411 -3.897 582 1HA GLY 94 2HA GLY 94 -3.505 -0.727 -2.409 583 2HA GLY 94 1HA GLY 94 -3.080 0.984 -2.497 584 H ALA 95 H ALA 95 -5.699 0.193 -2.933 585 HA ALA 95 HA ALA 95 -6.050 1.061 -5.742 586 1HB ALA 95 1HB ALA 95 -6.007 -1.258 -6.105 587 2HB ALA 95 2HB ALA 95 -7.730 -0.929 -5.918 588 3HB ALA 95 3HB ALA 95 -6.809 -1.602 -4.573 589 H GLY 96 H GLY 96 -6.864 2.955 -4.436 590 1HA GLY 96 2HA GLY 96 -9.726 2.531 -3.706 591 2HA GLY 96 1HA GLY 96 -8.673 3.412 -2.598 592 H ASN 97 H ASN 97 -10.374 5.153 -3.079 593 HA ASN 97 HA ASN 97 -9.512 6.683 -5.488 594 1HB ASN 97 2HB ASN 97 -12.006 7.474 -5.399 595 2HB ASN 97 1HB ASN 97 -11.641 5.892 -6.082 596 1HD2 ASN 97 1HD2 ASN 97 -13.567 7.472 -3.780 597 2HD2 ASN 97 2HD2 ASN 97 -14.024 6.117 -2.868 598 H SER 98 H SER 98 -11.523 7.223 -2.567 599 HA SER 98 HA SER 98 -9.703 9.206 -1.477 600 1HB SER 98 2HB SER 98 -12.096 10.023 -3.116 601 2HB SER 98 1HB SER 98 -11.415 11.093 -1.895 602 HG SER 98 HG SER 98 -10.612 11.170 -4.200 603 H GLY 99 H GLY 99 -12.979 7.863 -1.584 604 1HA GLY 99 2HA GLY 99 -13.194 8.433 1.350 605 2HA GLY 99 1HA GLY 99 -14.590 8.478 0.276 606 H LEU 100 H LEU 100 -13.106 6.022 -1.071 607 HA LEU 100 HA LEU 100 -14.545 4.028 0.592 608 1HB LEU 100 2HB LEU 100 -14.431 4.482 -2.066 609 2HB LEU 100 1HB LEU 100 -13.130 3.302 -1.913 610 HG LEU 100 HG LEU 100 -15.752 2.775 -0.555 611 1HD1 LEU 100 1HD1 LEU 100 -16.788 2.930 -2.574 612 2HD1 LEU 100 2HD1 LEU 100 -15.974 1.404 -2.917 613 3HD1 LEU 100 3HD1 LEU 100 -15.264 2.924 -3.462 614 1HD2 LEU 100 1HD2 LEU 100 -14.959 0.414 -1.384 615 2HD2 LEU 100 2HD2 LEU 100 -14.146 1.160 -0.010 616 3HD2 LEU 100 3HD2 LEU 100 -13.404 1.217 -1.609 617 H ASP 101 H ASP 101 -11.349 4.346 -0.956 618 HA ASP 101 HA ASP 101 -9.319 3.205 -0.487 619 1HB ASP 101 2HB ASP 101 -8.560 3.810 1.730 620 2HB ASP 101 1HB ASP 101 -9.617 5.102 1.164 621 H LEU 102 H LEU 102 -9.628 1.005 -0.970 622 HA LEU 102 HA LEU 102 -11.037 -0.772 0.898 623 1HB LEU 102 2HB LEU 102 -9.350 -1.425 -1.532 624 2HB LEU 102 1HB LEU 102 -10.617 -2.422 -0.819 625 HG LEU 102 HG LEU 102 -11.309 0.349 -1.737 626 1HD1 LEU 102 1HD1 LEU 102 -10.908 -0.086 -3.906 627 2HD1 LEU 102 2HD1 LEU 102 -11.866 -1.563 -3.804 628 3HD1 LEU 102 3HD1 LEU 102 -10.140 -1.604 -3.442 629 1HD2 LEU 102 1HD2 LEU 102 -12.731 -2.325 -1.574 630 2HD2 LEU 102 2HD2 LEU 102 -13.453 -0.877 -2.273 631 3HD2 LEU 102 3HD2 LEU 102 -13.015 -0.906 -0.566 632 H GLY 103 H GLY 103 -7.692 -0.328 -0.242 633 1HA GLY 103 2HA GLY 103 -6.248 -0.592 2.033 634 2HA GLY 103 1HA GLY 103 -6.695 -2.269 1.722 635 H HIS 104 H HIS 104 -4.321 -2.586 1.472 636 HA HIS 104 HA HIS 104 -3.551 -2.303 -1.368 637 1HB HIS 104 2HB HIS 104 -1.385 -1.211 -0.648 638 2HB HIS 104 1HB HIS 104 -2.814 -0.202 -0.423 639 HD1 HIS 104 HD1 HIS 104 -0.335 -2.294 1.509 640 HD2 HIS 104 HD2 HIS 104 -3.454 0.366 2.269 641 HE1 HIS 104 HE1 HIS 104 -0.251 -1.779 3.990 642 H VAL 105 H VAL 105 -2.131 -3.959 -1.976 643 HA VAL 105 HA VAL 105 -1.622 -6.061 0.044 644 HB VAL 105 HB VAL 105 -1.200 -5.847 -2.954 645 1HG1 VAL 105 1HG1 VAL 105 0.263 -7.494 -1.505 646 2HG1 VAL 105 2HG1 VAL 105 -0.498 -8.070 -2.989 647 3HG1 VAL 105 3HG1 VAL 105 -1.230 -8.430 -1.423 648 1HG2 VAL 105 1HG2 VAL 105 -3.195 -7.583 -1.507 649 2HG2 VAL 105 2HG2 VAL 105 -3.235 -7.006 -3.174 650 3HG2 VAL 105 3HG2 VAL 105 -3.567 -5.893 -1.848 651 H ALA 106 H ALA 106 0.167 -5.511 1.306 652 HA ALA 106 HA ALA 106 2.410 -3.988 0.612 653 1HB ALA 106 1HB ALA 106 1.650 -6.032 2.580 654 2HB ALA 106 2HB ALA 106 2.522 -4.518 2.821 655 3HB ALA 106 3HB ALA 106 3.387 -5.960 2.288 656 H LEU 107 H LEU 107 3.422 -4.357 -1.377 657 HA LEU 107 HA LEU 107 3.967 -7.081 -2.321 658 1HB LEU 107 2HB LEU 107 4.525 -4.268 -3.278 659 2HB LEU 107 1HB LEU 107 5.159 -5.676 -4.134 660 HG LEU 107 HG LEU 107 2.224 -5.327 -3.468 661 1HD1 LEU 107 1HD1 LEU 107 2.043 -4.802 -5.950 662 2HD1 LEU 107 2HD1 LEU 107 3.793 -4.582 -5.950 663 3HD1 LEU 107 3HD1 LEU 107 2.772 -3.532 -4.967 664 1HD2 LEU 107 1HD2 LEU 107 3.226 -7.638 -3.936 665 2HD2 LEU 107 2HD2 LEU 107 3.547 -7.059 -5.570 666 3HD2 LEU 107 3HD2 LEU 107 1.888 -7.153 -4.979 667 H THR 108 H THR 108 5.918 -8.148 -2.139 668 HA THR 108 HA THR 108 8.140 -6.692 -0.747 669 HB THR 108 HB THR 108 7.910 -9.670 -0.773 670 HG1 THR 108 HG1 THR 108 6.225 -7.926 0.698 671 1HG2 THR 108 1HG2 THR 108 9.269 -7.616 0.691 672 2HG2 THR 108 2HG2 THR 108 9.442 -9.365 0.843 673 3HG2 THR 108 3HG2 THR 108 8.237 -8.509 1.807 674 H PHE 109 H PHE 109 10.354 -7.630 -1.317 675 HA PHE 109 HA PHE 109 10.475 -8.785 -4.068 676 1HB PHE 109 2HB PHE 109 11.243 -6.091 -3.123 677 2HB PHE 109 1HB PHE 109 12.461 -6.898 -4.109 678 HD1 PHE 109 HD1 PHE 109 8.993 -5.624 -4.029 679 HD2 PHE 109 HD2 PHE 109 12.066 -7.400 -6.447 680 HE1 PHE 109 HE1 PHE 109 7.683 -5.110 -6.072 681 HE2 PHE 109 HE2 PHE 109 10.757 -6.885 -8.490 682 HZ PHE 109 HZ PHE 109 8.566 -5.738 -8.303 683 H GLY 110 H GLY 110 12.771 -9.509 -4.568 684 1HA GLY 110 2HA GLY 110 13.822 -11.282 -2.713 685 2HA GLY 110 1HA GLY 110 14.811 -10.527 -3.963 Start of MODEL 18 1 1H ALA 1 1H ALA 1 -15.866 -3.547 2.847 2 2H ALA 1 2H ALA 1 -15.048 -4.968 2.415 3 3H ALA 1 3H ALA 1 -16.064 -4.952 3.774 4 HA ALA 1 HA ALA 1 -17.658 -5.762 2.446 5 1HB ALA 1 1HB ALA 1 -18.901 -3.886 2.248 6 2HB ALA 1 2HB ALA 1 -18.081 -3.538 0.727 7 3HB ALA 1 3HB ALA 1 -17.446 -2.891 2.237 8 HA PRO 2 HA PRO 2 -16.031 -5.427 -2.016 9 1HB PRO 2 2HB PRO 2 -13.827 -3.888 -2.505 10 2HB PRO 2 1HB PRO 2 -15.487 -3.246 -2.554 11 1HG PRO 2 2HG PRO 2 -13.419 -3.000 -0.428 12 2HG PRO 2 1HG PRO 2 -14.645 -1.836 -0.955 13 1HD PRO 2 2HD PRO 2 -14.845 -3.394 1.311 14 2HD PRO 2 1HD PRO 2 -16.229 -2.682 0.454 15 H ALA 3 H ALA 3 -13.606 -5.917 -3.129 16 HA ALA 3 HA ALA 3 -11.948 -7.401 -1.146 17 1HB ALA 3 1HB ALA 3 -13.376 -8.552 -3.557 18 2HB ALA 3 2HB ALA 3 -13.639 -8.979 -1.867 19 3HB ALA 3 3HB ALA 3 -12.125 -9.413 -2.663 20 H PHE 4 H PHE 4 -9.784 -7.629 -1.828 21 HA PHE 4 HA PHE 4 -9.053 -6.860 -4.598 22 1HB PHE 4 2HB PHE 4 -9.252 -4.771 -3.295 23 2HB PHE 4 1HB PHE 4 -8.121 -5.409 -2.102 24 HD1 PHE 4 HD1 PHE 4 -5.993 -4.495 -2.285 25 HD2 PHE 4 HD2 PHE 4 -8.252 -5.269 -5.855 26 HE1 PHE 4 HE1 PHE 4 -4.091 -3.698 -3.663 27 HE2 PHE 4 HE2 PHE 4 -6.351 -4.472 -7.232 28 HZ PHE 4 HZ PHE 4 -4.270 -3.687 -6.135 29 H SER 5 H SER 5 -7.739 -8.591 -5.120 30 HA SER 5 HA SER 5 -5.447 -9.183 -3.303 31 1HB SER 5 2HB SER 5 -7.679 -10.617 -3.042 32 2HB SER 5 1HB SER 5 -7.015 -11.469 -4.433 33 HG SER 5 HG SER 5 -5.007 -11.514 -3.110 34 H VAL 6 H VAL 6 -3.674 -10.162 -4.410 35 HA VAL 6 HA VAL 6 -3.942 -10.337 -7.395 36 HB VAL 6 HB VAL 6 -2.835 -8.254 -6.446 37 1HG1 VAL 6 1HG1 VAL 6 -0.468 -9.993 -5.840 38 2HG1 VAL 6 2HG1 VAL 6 -1.721 -9.795 -4.616 39 3HG1 VAL 6 3HG1 VAL 6 -0.857 -8.385 -5.229 40 1HG2 VAL 6 1HG2 VAL 6 -0.621 -8.784 -7.848 41 2HG2 VAL 6 2HG2 VAL 6 -2.181 -8.580 -8.639 42 3HG2 VAL 6 3HG2 VAL 6 -1.561 -10.197 -8.324 43 H SER 7 H SER 7 -2.639 -12.008 -8.363 44 HA SER 7 HA SER 7 -2.120 -14.317 -6.724 45 1HB SER 7 2HB SER 7 -1.850 -13.460 -9.542 46 2HB SER 7 1HB SER 7 -0.783 -14.772 -9.056 47 HG SER 7 HG SER 7 -2.455 -16.046 -8.890 48 HA PRO 8 HA PRO 8 2.510 -13.430 -7.152 49 1HB PRO 8 2HB PRO 8 3.384 -11.352 -8.683 50 2HB PRO 8 1HB PRO 8 3.064 -12.965 -9.347 51 1HG PRO 8 2HG PRO 8 1.402 -10.507 -9.465 52 2HG PRO 8 1HG PRO 8 1.643 -11.767 -10.683 53 1HD PRO 8 2HD PRO 8 -0.582 -11.579 -9.086 54 2HD PRO 8 1HD PRO 8 -0.002 -13.084 -9.828 55 H ALA 9 H ALA 9 2.227 -12.668 -4.965 56 HA ALA 9 HA ALA 9 2.041 -9.705 -4.609 57 1HB ALA 9 1HB ALA 9 1.575 -10.507 -2.199 58 2HB ALA 9 2HB ALA 9 1.486 -12.127 -2.892 59 3HB ALA 9 3HB ALA 9 0.355 -10.880 -3.417 60 H SER 10 H SER 10 4.449 -11.788 -5.073 61 HA SER 10 HA SER 10 6.402 -10.211 -3.598 62 1HB SER 10 2HB SER 10 5.601 -11.501 -1.744 63 2HB SER 10 1HB SER 10 5.586 -12.983 -2.695 64 HG SER 10 HG SER 10 7.455 -13.094 -1.595 65 H GLY 11 H GLY 11 8.588 -10.810 -4.215 66 1HA GLY 11 2HA GLY 11 10.225 -11.736 -5.628 67 2HA GLY 11 1HA GLY 11 9.161 -13.131 -5.825 68 H LEU 12 H LEU 12 8.982 -9.666 -6.720 69 HA LEU 12 HA LEU 12 8.015 -10.532 -9.419 70 1HB LEU 12 2HB LEU 12 7.776 -7.860 -7.998 71 2HB LEU 12 1HB LEU 12 6.924 -8.353 -9.462 72 HG LEU 12 HG LEU 12 6.611 -10.161 -7.133 73 1HD1 LEU 12 1HD1 LEU 12 6.340 -8.255 -5.808 74 2HD1 LEU 12 2HD1 LEU 12 4.696 -8.527 -6.384 75 3HD1 LEU 12 3HD1 LEU 12 5.704 -7.296 -7.144 76 1HD2 LEU 12 1HD2 LEU 12 5.031 -9.113 -9.447 77 2HD2 LEU 12 2HD2 LEU 12 4.146 -9.702 -8.039 78 3HD2 LEU 12 3HD2 LEU 12 5.249 -10.776 -8.900 79 H SER 13 H SER 13 8.748 -9.053 -11.234 80 HA SER 13 HA SER 13 11.484 -7.961 -10.735 81 1HB SER 13 2HB SER 13 10.423 -9.962 -12.652 82 2HB SER 13 1HB SER 13 11.611 -8.830 -13.292 83 HG SER 13 HG SER 13 11.846 -10.701 -11.192 84 H ASP 14 H ASP 14 12.131 -6.340 -12.427 85 HA ASP 14 HA ASP 14 10.159 -4.312 -12.810 86 1HB ASP 14 2HB ASP 14 12.715 -4.189 -12.749 87 2HB ASP 14 1HB ASP 14 12.679 -4.737 -14.425 88 H GLY 15 H GLY 15 8.543 -4.228 -14.310 89 1HA GLY 15 2HA GLY 15 7.622 -4.356 -16.513 90 2HA GLY 15 1HA GLY 15 8.981 -5.375 -16.987 91 H GLN 16 H GLN 16 8.690 -7.129 -14.643 92 HA GLN 16 HA GLN 16 7.259 -9.273 -15.604 93 1HB GLN 16 2HB GLN 16 8.654 -8.779 -13.403 94 2HB GLN 16 1HB GLN 16 7.050 -8.572 -12.694 95 1HG GLN 16 2HG GLN 16 7.295 -10.953 -14.406 96 2HG GLN 16 1HG GLN 16 8.332 -10.987 -12.979 97 1HE2 GLN 16 1HE2 GLN 16 6.757 -12.791 -12.310 98 2HE2 GLN 16 2HE2 GLN 16 5.323 -12.331 -11.529 99 H SER 17 H SER 17 5.085 -9.929 -15.607 100 HA SER 17 HA SER 17 3.092 -7.777 -15.143 101 1HB SER 17 2HB SER 17 1.859 -8.908 -16.738 102 2HB SER 17 1HB SER 17 3.470 -9.457 -17.189 103 HG SER 17 HG SER 17 3.102 -11.363 -16.200 104 H VAL 18 H VAL 18 0.986 -8.507 -14.116 105 HA VAL 18 HA VAL 18 1.254 -10.718 -12.157 106 HB VAL 18 HB VAL 18 0.592 -9.108 -10.342 107 1HG1 VAL 18 1HG1 VAL 18 2.797 -8.299 -9.985 108 2HG1 VAL 18 2HG1 VAL 18 3.110 -8.157 -11.715 109 3HG1 VAL 18 3HG1 VAL 18 3.013 -9.750 -10.965 110 1HG2 VAL 18 1HG2 VAL 18 1.401 -6.885 -12.188 111 2HG2 VAL 18 2HG2 VAL 18 0.420 -6.816 -10.725 112 3HG2 VAL 18 3HG2 VAL 18 -0.264 -7.465 -12.214 113 H SER 19 H SER 19 -0.920 -11.031 -11.011 114 HA SER 19 HA SER 19 -3.148 -10.270 -12.870 115 1HB SER 19 2HB SER 19 -2.220 -12.728 -12.415 116 2HB SER 19 1HB SER 19 -3.294 -12.613 -11.027 117 HG SER 19 HG SER 19 -4.008 -13.278 -13.385 118 H VAL 20 H VAL 20 -4.927 -9.312 -11.958 119 HA VAL 20 HA VAL 20 -5.010 -9.093 -8.970 120 HB VAL 20 HB VAL 20 -5.308 -7.052 -11.174 121 1HG1 VAL 20 1HG1 VAL 20 -7.322 -6.894 -9.709 122 2HG1 VAL 20 2HG1 VAL 20 -6.274 -5.483 -9.560 123 3HG1 VAL 20 3HG1 VAL 20 -6.260 -6.727 -8.310 124 1HG2 VAL 20 1HG2 VAL 20 -3.942 -6.780 -8.496 125 2HG2 VAL 20 2HG2 VAL 20 -3.626 -5.891 -9.986 126 3HG2 VAL 20 3HG2 VAL 20 -3.144 -7.579 -9.851 127 H SER 21 H SER 21 -7.150 -8.998 -8.078 128 HA SER 21 HA SER 21 -9.431 -9.428 -9.943 129 1HB SER 21 2HB SER 21 -9.402 -11.297 -7.688 130 2HB SER 21 1HB SER 21 -9.679 -11.619 -9.396 131 HG SER 21 HG SER 21 -7.569 -12.248 -8.053 132 H VAL 22 H VAL 22 -11.136 -8.219 -9.216 133 HA VAL 22 HA VAL 22 -11.206 -7.499 -6.301 134 HB VAL 22 HB VAL 22 -12.314 -5.932 -8.648 135 1HG1 VAL 22 1HG1 VAL 22 -12.834 -5.652 -6.001 136 2HG1 VAL 22 2HG1 VAL 22 -12.801 -4.294 -7.124 137 3HG1 VAL 22 3HG1 VAL 22 -11.387 -4.654 -6.133 138 1HG2 VAL 22 1HG2 VAL 22 -10.177 -4.505 -8.102 139 2HG2 VAL 22 2HG2 VAL 22 -10.024 -5.920 -9.142 140 3HG2 VAL 22 3HG2 VAL 22 -9.557 -6.020 -7.445 141 H SER 23 H SER 23 -13.264 -7.588 -5.280 142 HA SER 23 HA SER 23 -15.650 -8.325 -6.861 143 1HB SER 23 2HB SER 23 -15.873 -10.390 -5.325 144 2HB SER 23 1HB SER 23 -14.690 -10.481 -6.627 145 HG SER 23 HG SER 23 -14.338 -10.251 -3.868 146 H GLY 24 H GLY 24 -17.427 -7.434 -5.869 147 1HA GLY 24 2HA GLY 24 -18.581 -7.330 -3.561 148 2HA GLY 24 1HA GLY 24 -17.105 -6.515 -3.047 149 H ALA 25 H ALA 25 -16.535 -4.737 -4.970 150 HA ALA 25 HA ALA 25 -18.384 -2.614 -4.588 151 1HB ALA 25 1HB ALA 25 -16.137 -2.120 -5.190 152 2HB ALA 25 2HB ALA 25 -17.061 -1.694 -6.628 153 3HB ALA 25 3HB ALA 25 -16.179 -3.219 -6.565 154 H ALA 26 H ALA 26 -18.754 -1.671 -7.334 155 HA ALA 26 HA ALA 26 -20.161 -3.692 -8.879 156 1HB ALA 26 1HB ALA 26 -21.976 -3.665 -7.494 157 2HB ALA 26 2HB ALA 26 -22.356 -2.150 -8.314 158 3HB ALA 26 3HB ALA 26 -21.512 -2.128 -6.764 159 H ALA 27 H ALA 27 -21.095 -2.797 -10.811 160 HA ALA 27 HA ALA 27 -19.667 -0.880 -12.193 161 1HB ALA 27 1HB ALA 27 -22.543 -1.781 -12.279 162 2HB ALA 27 2HB ALA 27 -21.214 -2.261 -13.334 163 3HB ALA 27 3HB ALA 27 -21.908 -0.648 -13.470 164 H GLY 28 H GLY 28 -19.535 1.324 -12.131 165 1HA GLY 28 2HA GLY 28 -20.758 3.488 -11.944 166 2HA GLY 28 1HA GLY 28 -21.596 2.791 -10.559 167 H GLU 29 H GLU 29 -18.348 1.835 -10.697 168 HA GLU 29 HA GLU 29 -17.434 4.096 -8.975 169 1HB GLU 29 2HB GLU 29 -17.643 1.155 -8.320 170 2HB GLU 29 1HB GLU 29 -16.485 2.190 -7.484 171 1HG GLU 29 2HG GLU 29 -18.096 3.130 -6.219 172 2HG GLU 29 1HG GLU 29 -19.128 3.411 -7.621 173 H THR 30 H THR 30 -15.567 4.781 -9.971 174 HA THR 30 HA THR 30 -13.870 2.761 -11.378 175 HB THR 30 HB THR 30 -14.218 5.763 -11.516 176 HG1 THR 30 HG1 THR 30 -14.895 5.292 -13.549 177 1HG2 THR 30 1HG2 THR 30 -12.447 5.212 -13.506 178 2HG2 THR 30 2HG2 THR 30 -11.885 4.102 -12.255 179 3HG2 THR 30 3HG2 THR 30 -11.977 5.832 -11.922 180 H TYR 31 H TYR 31 -11.842 2.295 -10.556 181 HA TYR 31 HA TYR 31 -10.889 3.949 -8.238 182 1HB TYR 31 2HB TYR 31 -10.325 1.039 -8.859 183 2HB TYR 31 1HB TYR 31 -10.019 1.883 -7.342 184 HD1 TYR 31 HD1 TYR 31 -12.627 0.487 -9.557 185 HD2 TYR 31 HD2 TYR 31 -11.809 2.368 -5.783 186 HE1 TYR 31 HE1 TYR 31 -14.909 -0.087 -8.777 187 HE2 TYR 31 HE2 TYR 31 -14.092 1.794 -5.003 188 HH TYR 31 HH TYR 31 -15.866 -0.346 -5.945 189 H TYR 32 H TYR 32 -8.364 3.264 -7.964 190 HA TYR 32 HA TYR 32 -7.023 3.464 -10.626 191 1HB TYR 32 2HB TYR 32 -6.343 5.105 -8.172 192 2HB TYR 32 1HB TYR 32 -5.728 5.327 -9.811 193 HD1 TYR 32 HD1 TYR 32 -8.433 6.033 -7.501 194 HD2 TYR 32 HD2 TYR 32 -7.312 6.028 -11.646 195 HE1 TYR 32 HE1 TYR 32 -10.358 7.506 -8.023 196 HE2 TYR 32 HE2 TYR 32 -9.236 7.503 -12.169 197 HH TYR 32 HH TYR 32 -11.678 7.880 -10.825 198 H ILE 33 H ILE 33 -5.821 1.598 -10.659 199 HA ILE 33 HA ILE 33 -4.752 0.443 -8.167 200 HB ILE 33 HB ILE 33 -5.765 -0.932 -9.937 201 1HG1 ILE 33 2HG1 ILE 33 -2.879 -1.642 -10.177 202 2HG1 ILE 33 1HG1 ILE 33 -3.545 -1.542 -8.547 203 1HG2 ILE 33 1HG2 ILE 33 -5.251 -0.707 -12.134 204 2HG2 ILE 33 2HG2 ILE 33 -3.519 -0.664 -11.808 205 3HG2 ILE 33 3HG2 ILE 33 -4.479 0.806 -11.661 206 1HD1 ILE 33 1HD1 ILE 33 -5.519 -2.938 -9.765 207 2HD1 ILE 33 2HD1 ILE 33 -4.150 -3.707 -8.964 208 3HD1 ILE 33 3HD1 ILE 33 -4.135 -3.481 -10.713 209 H ALA 34 H ALA 34 -2.891 1.324 -7.377 210 HA ALA 34 HA ALA 34 -0.572 1.629 -9.212 211 1HB ALA 34 1HB ALA 34 -0.691 3.886 -7.431 212 2HB ALA 34 2HB ALA 34 -2.228 3.757 -8.286 213 3HB ALA 34 3HB ALA 34 -0.721 3.883 -9.195 214 H GLN 35 H GLN 35 1.474 1.880 -7.931 215 HA GLN 35 HA GLN 35 1.209 0.639 -5.213 216 1HB GLN 35 2HB GLN 35 3.334 -0.441 -5.722 217 2HB GLN 35 1HB GLN 35 2.219 -0.719 -7.060 218 1HG GLN 35 2HG GLN 35 3.258 0.970 -8.402 219 2HG GLN 35 1HG GLN 35 4.188 1.578 -7.031 220 1HE2 GLN 35 1HE2 GLN 35 6.044 0.299 -6.305 221 2HE2 GLN 35 2HE2 GLN 35 6.702 -0.926 -7.278 222 H CYS 36 H CYS 36 2.456 1.521 -3.523 223 HA CYS 36 HA CYS 36 4.136 3.912 -4.162 224 1HB CYS 36 2HB CYS 36 1.874 3.643 -2.163 225 2HB CYS 36 1HB CYS 36 3.008 4.993 -2.165 226 H ALA 37 H ALA 37 5.827 4.281 -2.613 227 HA ALA 37 HA ALA 37 6.108 2.390 -0.335 228 1HB ALA 37 1HB ALA 37 8.599 2.375 -1.666 229 2HB ALA 37 2HB ALA 37 7.387 2.138 -2.925 230 3HB ALA 37 3HB ALA 37 7.456 1.036 -1.550 231 HA PRO 38 HA PRO 38 8.233 5.745 1.500 232 1HB PRO 38 2HB PRO 38 10.521 4.664 2.550 233 2HB PRO 38 1HB PRO 38 8.912 4.401 3.248 234 1HG PRO 38 2HG PRO 38 10.509 2.622 1.459 235 2HG PRO 38 1HG PRO 38 9.528 2.207 2.876 236 1HD PRO 38 2HD PRO 38 8.643 1.840 0.341 237 2HD PRO 38 1HD PRO 38 7.549 2.242 1.686 238 H VAL 39 H VAL 39 10.249 7.117 1.350 239 HA VAL 39 HA VAL 39 11.889 6.487 -1.070 240 HB VAL 39 HB VAL 39 10.002 8.017 -1.608 241 1HG1 VAL 39 1HG1 VAL 39 11.070 9.343 0.810 242 2HG1 VAL 39 2HG1 VAL 39 9.427 9.321 0.175 243 3HG1 VAL 39 3HG1 VAL 39 10.622 10.425 -0.505 244 1HG2 VAL 39 1HG2 VAL 39 11.353 9.138 -3.043 245 2HG2 VAL 39 2HG2 VAL 39 12.691 8.317 -2.239 246 3HG2 VAL 39 3HG2 VAL 39 12.216 9.936 -1.727 247 H GLY 40 H GLY 40 12.974 5.951 1.280 248 1HA GLY 40 2HA GLY 40 14.808 6.425 2.655 249 2HA GLY 40 1HA GLY 40 15.268 7.616 1.441 250 H GLY 41 H GLY 41 12.131 7.981 2.928 251 1HA GLY 41 2HA GLY 41 12.677 9.396 5.256 252 2HA GLY 41 1HA GLY 41 12.922 10.574 3.975 253 H GLN 42 H GLN 42 10.985 10.452 2.288 254 HA GLN 42 HA GLN 42 8.499 10.716 3.915 255 1HB GLN 42 2HB GLN 42 9.738 12.009 1.562 256 2HB GLN 42 1HB GLN 42 7.987 11.821 1.473 257 1HG GLN 42 2HG GLN 42 9.369 12.965 3.907 258 2HG GLN 42 1HG GLN 42 8.818 13.975 2.569 259 1HE2 GLN 42 1HE2 GLN 42 6.373 13.178 1.886 260 2HE2 GLN 42 2HE2 GLN 42 5.307 13.101 3.205 261 H ASP 43 H ASP 43 6.658 10.562 1.770 262 HA ASP 43 HA ASP 43 6.832 7.653 1.069 263 1HB ASP 43 2HB ASP 43 4.317 7.844 1.091 264 2HB ASP 43 1HB ASP 43 5.070 8.183 2.651 265 H ALA 44 H ALA 44 7.081 7.286 -1.088 266 HA ALA 44 HA ALA 44 6.292 9.415 -3.024 267 1HB ALA 44 1HB ALA 44 8.383 7.302 -2.813 268 2HB ALA 44 2HB ALA 44 8.508 8.940 -3.455 269 3HB ALA 44 3HB ALA 44 7.788 7.661 -4.433 270 H CYS 45 H CYS 45 5.229 8.649 -5.048 271 HA CYS 45 HA CYS 45 3.825 6.019 -4.744 272 1HB CYS 45 2HB CYS 45 2.795 8.779 -4.823 273 2HB CYS 45 1HB CYS 45 1.967 7.670 -5.916 274 H ASN 46 H ASN 46 2.928 5.236 -6.841 275 HA ASN 46 HA ASN 46 4.775 5.825 -9.069 276 1HB ASN 46 2HB ASN 46 2.759 3.747 -8.306 277 2HB ASN 46 1HB ASN 46 3.215 3.893 -10.001 278 1HD2 ASN 46 1HD2 ASN 46 4.964 2.588 -10.551 279 2HD2 ASN 46 2HD2 ASN 46 6.208 2.127 -9.493 280 HA PRO 47 HA PRO 47 1.503 8.367 -10.767 281 1HB PRO 47 2HB PRO 47 3.136 9.886 -12.334 282 2HB PRO 47 1HB PRO 47 2.944 10.155 -10.591 283 1HG PRO 47 2HG PRO 47 5.225 9.044 -12.059 284 2HG PRO 47 1HG PRO 47 5.162 9.741 -10.435 285 1HD PRO 47 2HD PRO 47 5.203 6.960 -11.170 286 2HD PRO 47 1HD PRO 47 5.163 7.666 -9.539 287 H ALA 48 H ALA 48 4.182 7.272 -12.865 288 HA ALA 48 HA ALA 48 2.751 7.255 -15.320 289 1HB ALA 48 1HB ALA 48 5.036 5.509 -14.370 290 2HB ALA 48 2HB ALA 48 5.203 7.138 -15.028 291 3HB ALA 48 3HB ALA 48 4.615 5.828 -16.053 292 H THR 49 H THR 49 3.345 4.536 -13.066 293 HA THR 49 HA THR 49 1.604 2.751 -14.619 294 HB THR 49 HB THR 49 2.155 1.235 -12.644 295 HG1 THR 49 HG1 THR 49 2.712 2.390 -10.978 296 1HG2 THR 49 1HG2 THR 49 4.760 1.520 -13.210 297 2HG2 THR 49 2HG2 THR 49 4.094 2.520 -14.500 298 3HG2 THR 49 3HG2 THR 49 3.620 0.828 -14.364 299 H ALA 50 H ALA 50 0.579 5.293 -13.072 300 HA ALA 50 HA ALA 50 -1.284 4.089 -11.129 301 1HB ALA 50 1HB ALA 50 -0.028 6.539 -11.485 302 2HB ALA 50 2HB ALA 50 -1.338 6.222 -10.347 303 3HB ALA 50 3HB ALA 50 -1.697 6.875 -11.946 304 H THR 51 H THR 51 -2.110 2.743 -13.133 305 HA THR 51 HA THR 51 -3.859 4.156 -15.007 306 HB THR 51 HB THR 51 -2.718 2.145 -15.698 307 HG1 THR 51 HG1 THR 51 -5.284 1.140 -15.248 308 1HG2 THR 51 1HG2 THR 51 -2.283 0.512 -14.221 309 2HG2 THR 51 2HG2 THR 51 -4.003 0.134 -14.128 310 3HG2 THR 51 3HG2 THR 51 -3.300 1.320 -13.029 311 H SER 52 H SER 52 -6.224 3.601 -15.141 312 HA SER 52 HA SER 52 -7.416 3.263 -12.410 313 1HB SER 52 2HB SER 52 -9.159 4.788 -13.234 314 2HB SER 52 1HB SER 52 -7.570 5.520 -13.425 315 HG SER 52 HG SER 52 -9.216 5.410 -15.284 316 H PHE 53 H PHE 53 -9.155 1.825 -12.208 317 HA PHE 53 HA PHE 53 -10.181 0.493 -14.681 318 1HB PHE 53 2HB PHE 53 -9.706 -1.673 -13.736 319 2HB PHE 53 1HB PHE 53 -8.230 -0.721 -13.574 320 HD1 PHE 53 HD1 PHE 53 -10.895 -2.452 -11.821 321 HD2 PHE 53 HD2 PHE 53 -7.694 0.376 -11.371 322 HE1 PHE 53 HE1 PHE 53 -10.959 -2.771 -9.363 323 HE2 PHE 53 HE2 PHE 53 -7.756 0.057 -8.913 324 HZ PHE 53 HZ PHE 53 -9.391 -1.516 -7.909 325 H THR 54 H THR 54 -12.407 0.371 -14.577 326 HA THR 54 HA THR 54 -13.756 1.026 -12.032 327 HB THR 54 HB THR 54 -14.946 0.498 -14.759 328 HG1 THR 54 HG1 THR 54 -13.545 2.074 -15.187 329 1HG2 THR 54 1HG2 THR 54 -15.814 2.100 -12.342 330 2HG2 THR 54 2HG2 THR 54 -16.595 0.664 -13.005 331 3HG2 THR 54 3HG2 THR 54 -16.619 2.178 -13.909 332 H THR 55 H THR 55 -15.770 -0.272 -11.507 333 HA THR 55 HA THR 55 -15.095 -3.122 -11.336 334 HB THR 55 HB THR 55 -17.683 -2.841 -10.420 335 HG1 THR 55 HG1 THR 55 -18.045 -0.790 -10.456 336 1HG2 THR 55 1HG2 THR 55 -15.436 -1.911 -8.683 337 2HG2 THR 55 2HG2 THR 55 -15.390 -3.552 -9.330 338 3HG2 THR 55 3HG2 THR 55 -16.740 -3.040 -8.320 339 H ASP 56 H ASP 56 -17.727 -4.256 -11.573 340 HA ASP 56 HA ASP 56 -18.426 -3.813 -14.457 341 1HB ASP 56 2HB ASP 56 -16.925 -5.961 -13.337 342 2HB ASP 56 1HB ASP 56 -18.503 -6.608 -13.781 343 H ALA 57 H ALA 57 -20.304 -5.921 -14.621 344 HA ALA 57 HA ALA 57 -22.599 -4.803 -13.384 345 1HB ALA 57 1HB ALA 57 -22.502 -6.332 -15.373 346 2HB ALA 57 2HB ALA 57 -23.686 -6.845 -14.170 347 3HB ALA 57 3HB ALA 57 -22.125 -7.659 -14.274 348 H SER 58 H SER 58 -20.820 -7.759 -12.522 349 HA SER 58 HA SER 58 -22.214 -7.938 -9.943 350 1HB SER 58 2HB SER 58 -21.105 -10.037 -9.818 351 2HB SER 58 1HB SER 58 -21.419 -9.821 -11.538 352 HG SER 58 HG SER 58 -19.207 -10.442 -10.867 353 H GLY 59 H GLY 59 -20.031 -5.805 -10.940 354 1HA GLY 59 2HA GLY 59 -18.506 -4.439 -9.792 355 2HA GLY 59 1HA GLY 59 -18.964 -5.275 -8.311 356 H ALA 60 H ALA 60 -17.994 -7.395 -10.796 357 HA ALA 60 HA ALA 60 -15.547 -8.088 -9.304 358 1HB ALA 60 1HB ALA 60 -15.737 -9.620 -11.635 359 2HB ALA 60 2HB ALA 60 -17.411 -9.273 -11.209 360 3HB ALA 60 3HB ALA 60 -16.353 -10.072 -10.046 361 H ALA 61 H ALA 61 -13.619 -7.127 -9.806 362 HA ALA 61 HA ALA 61 -13.231 -6.103 -12.599 363 1HB ALA 61 1HB ALA 61 -13.332 -4.688 -10.288 364 2HB ALA 61 2HB ALA 61 -12.352 -4.194 -11.669 365 3HB ALA 61 3HB ALA 61 -11.612 -5.072 -10.330 366 H SER 62 H SER 62 -12.370 -8.328 -13.103 367 HA SER 62 HA SER 62 -9.730 -8.925 -11.843 368 1HB SER 62 2HB SER 62 -10.799 -10.922 -11.866 369 2HB SER 62 1HB SER 62 -11.936 -10.401 -13.103 370 HG SER 62 HG SER 62 -9.557 -11.750 -13.328 371 H PHE 63 H PHE 63 -7.901 -8.526 -12.969 372 HA PHE 63 HA PHE 63 -7.746 -8.683 -15.873 373 1HB PHE 63 2HB PHE 63 -7.270 -6.214 -16.127 374 2HB PHE 63 1HB PHE 63 -8.933 -6.577 -15.675 375 HD1 PHE 63 HD1 PHE 63 -5.925 -4.824 -14.769 376 HD2 PHE 63 HD2 PHE 63 -9.552 -6.481 -13.171 377 HE1 PHE 63 HE1 PHE 63 -5.677 -3.421 -12.738 378 HE2 PHE 63 HE2 PHE 63 -9.301 -5.087 -11.143 379 HZ PHE 63 HZ PHE 63 -7.366 -3.555 -10.924 380 H SER 64 H SER 64 -5.503 -8.196 -16.632 381 HA SER 64 HA SER 64 -3.516 -8.800 -14.514 382 1HB SER 64 2HB SER 64 -3.283 -8.595 -17.530 383 2HB SER 64 1HB SER 64 -2.070 -9.275 -16.448 384 HG SER 64 HG SER 64 -3.323 -10.938 -17.276 385 H PHE 65 H PHE 65 -2.069 -7.303 -13.771 386 HA PHE 65 HA PHE 65 -1.909 -4.655 -15.178 387 1HB PHE 65 2HB PHE 65 -3.100 -4.378 -13.133 388 2HB PHE 65 1HB PHE 65 -2.033 -5.484 -12.272 389 HD1 PHE 65 HD1 PHE 65 -1.857 -2.283 -14.228 390 HD2 PHE 65 HD2 PHE 65 -0.380 -4.577 -10.911 391 HE1 PHE 65 HE1 PHE 65 -0.441 -0.370 -13.533 392 HE2 PHE 65 HE2 PHE 65 1.037 -2.666 -10.218 393 HZ PHE 65 HZ PHE 65 1.006 -0.560 -11.527 394 H VAL 66 H VAL 66 0.247 -3.641 -15.082 395 HA VAL 66 HA VAL 66 2.426 -5.662 -14.874 396 HB VAL 66 HB VAL 66 2.606 -2.809 -15.844 397 1HG1 VAL 66 1HG1 VAL 66 4.045 -5.301 -16.778 398 2HG1 VAL 66 2HG1 VAL 66 4.660 -4.277 -15.480 399 3HG1 VAL 66 3HG1 VAL 66 4.472 -3.622 -17.107 400 1HG2 VAL 66 1HG2 VAL 66 1.578 -5.270 -17.279 401 2HG2 VAL 66 2HG2 VAL 66 2.150 -3.835 -18.129 402 3HG2 VAL 66 3HG2 VAL 66 0.749 -3.729 -17.063 403 H VAL 67 H VAL 67 4.444 -5.033 -13.777 404 HA VAL 67 HA VAL 67 4.050 -3.017 -11.594 405 HB VAL 67 HB VAL 67 5.216 -4.695 -10.126 406 1HG1 VAL 67 1HG1 VAL 67 2.855 -6.086 -11.336 407 2HG1 VAL 67 2HG1 VAL 67 2.618 -4.494 -10.617 408 3HG1 VAL 67 3HG1 VAL 67 3.244 -5.821 -9.637 409 1HG2 VAL 67 1HG2 VAL 67 5.726 -6.854 -10.897 410 2HG2 VAL 67 2HG2 VAL 67 6.179 -5.846 -12.272 411 3HG2 VAL 67 3HG2 VAL 67 4.646 -6.716 -12.283 412 H ARG 68 H ARG 68 6.358 -2.680 -10.501 413 HA ARG 68 HA ARG 68 8.577 -2.895 -12.464 414 1HB ARG 68 2HB ARG 68 7.268 -0.363 -11.468 415 2HB ARG 68 1HB ARG 68 8.924 -0.363 -12.074 416 1HG ARG 68 2HG ARG 68 7.558 -1.795 -14.010 417 2HG ARG 68 1HG ARG 68 6.403 -0.542 -13.554 418 1HD ARG 68 2HD ARG 68 8.822 0.837 -13.697 419 2HD ARG 68 1HD ARG 68 8.888 -0.286 -15.071 420 HE ARG 68 HE ARG 68 6.301 0.671 -15.161 421 1HH1 ARG 68 1HH1 ARG 68 9.502 1.805 -15.589 422 2HH1 ARG 68 2HH1 ARG 68 9.025 3.351 -16.210 423 1HH2 ARG 68 1HH2 ARG 68 5.637 2.795 -15.721 424 2HH2 ARG 68 2HH2 ARG 68 6.836 3.911 -16.286 425 H LYS 69 H LYS 69 10.523 -3.172 -11.390 426 HA LYS 69 HA LYS 69 10.587 -3.502 -8.528 427 1HB LYS 69 2HB LYS 69 12.065 -4.316 -10.655 428 2HB LYS 69 1HB LYS 69 13.088 -3.008 -10.060 429 1HG LYS 69 2HG LYS 69 12.511 -4.218 -7.714 430 2HG LYS 69 1HG LYS 69 12.422 -5.610 -8.794 431 1HD LYS 69 2HD LYS 69 14.733 -3.811 -9.233 432 2HD LYS 69 1HD LYS 69 14.744 -4.704 -7.711 433 1HE LYS 69 2HE LYS 69 14.597 -6.823 -8.851 434 2HE LYS 69 1HE LYS 69 14.274 -6.024 -10.404 435 1HZ LYS 69 1HZ LYS 69 16.774 -6.232 -8.914 436 2HZ LYS 69 2HZ LYS 69 16.478 -4.760 -9.710 437 3HZ LYS 69 3HZ LYS 69 16.513 -6.215 -10.588 438 H SER 70 H SER 70 10.892 -0.787 -10.603 439 HA SER 70 HA SER 70 11.491 0.982 -8.298 440 1HB SER 70 2HB SER 70 13.437 1.895 -9.323 441 2HB SER 70 1HB SER 70 13.612 0.155 -9.523 442 HG SER 70 HG SER 70 13.911 0.869 -11.532 443 H TYR 71 H TYR 71 10.880 3.230 -8.803 444 HA TYR 71 HA TYR 71 9.713 3.847 -11.420 445 1HB TYR 71 2HB TYR 71 7.416 3.967 -10.633 446 2HB TYR 71 1HB TYR 71 8.050 2.367 -10.247 447 HD1 TYR 71 HD1 TYR 71 7.524 5.777 -8.812 448 HD2 TYR 71 HD2 TYR 71 8.111 1.595 -8.015 449 HE1 TYR 71 HE1 TYR 71 7.065 6.171 -6.407 450 HE2 TYR 71 HE2 TYR 71 7.651 1.990 -5.610 451 HH TYR 71 HH TYR 71 6.247 4.812 -4.447 452 H THR 72 H THR 72 9.464 6.085 -11.671 453 HA THR 72 HA THR 72 10.813 7.834 -9.837 454 HB THR 72 HB THR 72 8.795 8.482 -12.005 455 HG1 THR 72 HG1 THR 72 11.598 8.127 -12.219 456 1HG2 THR 72 1HG2 THR 72 9.357 10.620 -11.617 457 2HG2 THR 72 2HG2 THR 72 11.059 10.233 -11.858 458 3HG2 THR 72 3HG2 THR 72 10.342 10.094 -10.252 459 H GLY 73 H GLY 73 10.007 8.933 -8.075 460 1HA GLY 73 2HA GLY 73 7.055 8.791 -7.614 461 2HA GLY 73 1HA GLY 73 8.253 8.823 -6.318 462 H SER 74 H SER 74 6.552 10.710 -5.872 463 HA SER 74 HA SER 74 7.989 13.193 -6.270 464 1HB SER 74 2HB SER 74 6.166 14.216 -7.696 465 2HB SER 74 1HB SER 74 7.113 12.974 -8.511 466 HG SER 74 HG SER 74 4.465 13.021 -7.843 467 H THR 75 H THR 75 6.863 15.001 -5.179 468 HA THR 75 HA THR 75 5.188 14.047 -2.952 469 HB THR 75 HB THR 75 5.604 16.344 -2.139 470 HG1 THR 75 HG1 THR 75 6.659 17.788 -3.421 471 1HG2 THR 75 1HG2 THR 75 7.904 16.070 -1.745 472 2HG2 THR 75 2HG2 THR 75 8.174 15.329 -3.320 473 3HG2 THR 75 3HG2 THR 75 7.337 14.431 -2.055 474 HA PRO 76 HA PRO 76 1.435 15.537 -4.641 475 1HB PRO 76 2HB PRO 76 0.053 16.095 -2.359 476 2HB PRO 76 1HB PRO 76 0.396 14.441 -2.896 477 1HG PRO 76 2HG PRO 76 1.673 16.030 -0.750 478 2HG PRO 76 1HG PRO 76 1.410 14.283 -0.863 479 1HD PRO 76 2HD PRO 76 3.821 15.593 -1.353 480 2HD PRO 76 1HD PRO 76 3.416 13.942 -1.868 481 H GLU 77 H GLU 77 3.673 17.538 -3.302 482 HA GLU 77 HA GLU 77 1.956 19.960 -3.231 483 1HB GLU 77 2HB GLU 77 4.018 19.032 -1.670 484 2HB GLU 77 1HB GLU 77 4.854 20.163 -2.736 485 1HG GLU 77 2HG GLU 77 3.518 21.988 -2.045 486 2HG GLU 77 1HG GLU 77 2.288 20.931 -1.348 487 H GLY 78 H GLY 78 2.748 18.496 -5.767 488 1HA GLY 78 2HA GLY 78 3.453 19.075 -7.930 489 2HA GLY 78 1HA GLY 78 3.267 20.753 -7.419 490 H THR 79 H THR 79 5.492 18.164 -6.343 491 HA THR 79 HA THR 79 7.803 19.663 -7.420 492 HB THR 79 HB THR 79 7.202 19.279 -4.476 493 HG1 THR 79 HG1 THR 79 7.360 21.513 -4.474 494 1HG2 THR 79 1HG2 THR 79 9.526 20.623 -4.464 495 2HG2 THR 79 2HG2 THR 79 9.768 19.671 -5.930 496 3HG2 THR 79 3HG2 THR 79 9.456 18.862 -4.394 497 HA PRO 80 HA PRO 80 8.675 15.254 -7.610 498 1HB PRO 80 2HB PRO 80 10.718 15.488 -9.415 499 2HB PRO 80 1HB PRO 80 9.006 15.498 -9.884 500 1HG PRO 80 2HG PRO 80 10.889 17.783 -9.552 501 2HG PRO 80 1HG PRO 80 9.624 17.528 -10.765 502 1HD PRO 80 2HD PRO 80 9.319 19.167 -8.603 503 2HD PRO 80 1HD PRO 80 7.967 18.332 -9.399 504 H VAL 81 H VAL 81 9.927 14.327 -6.036 505 HA VAL 81 HA VAL 81 12.269 15.819 -4.981 506 HB VAL 81 HB VAL 81 10.449 14.935 -3.520 507 1HG1 VAL 81 1HG1 VAL 81 11.092 12.512 -5.046 508 2HG1 VAL 81 2HG1 VAL 81 9.626 12.922 -4.155 509 3HG1 VAL 81 3HG1 VAL 81 11.013 12.237 -3.306 510 1HG2 VAL 81 1HG2 VAL 81 12.970 15.119 -2.878 511 2HG2 VAL 81 2HG2 VAL 81 12.956 13.358 -2.958 512 3HG2 VAL 81 3HG2 VAL 81 11.902 14.197 -1.820 513 H GLY 82 H GLY 82 11.581 13.216 -7.112 514 1HA GLY 82 2HA GLY 82 13.871 12.635 -8.273 515 2HA GLY 82 1HA GLY 82 14.246 11.991 -6.677 516 H SER 83 H SER 83 14.434 9.858 -7.640 517 HA SER 83 HA SER 83 11.813 8.649 -8.452 518 1HB SER 83 2HB SER 83 14.576 7.548 -8.950 519 2HB SER 83 1HB SER 83 13.088 7.190 -9.823 520 HG SER 83 HG SER 83 13.762 8.714 -11.108 521 H VAL 84 H VAL 84 11.858 6.170 -7.922 522 HA VAL 84 HA VAL 84 12.992 5.754 -5.176 523 HB VAL 84 HB VAL 84 10.253 5.148 -6.318 524 1HG1 VAL 84 1HG1 VAL 84 11.447 4.330 -3.651 525 2HG1 VAL 84 2HG1 VAL 84 11.039 3.239 -4.975 526 3HG1 VAL 84 3HG1 VAL 84 9.762 4.112 -4.126 527 1HG2 VAL 84 1HG2 VAL 84 10.494 7.426 -5.522 528 2HG2 VAL 84 2HG2 VAL 84 11.268 6.872 -4.037 529 3HG2 VAL 84 3HG2 VAL 84 9.562 6.529 -4.323 530 H ASP 85 H ASP 85 13.251 3.410 -4.650 531 HA ASP 85 HA ASP 85 13.399 1.634 -7.052 532 1HB ASP 85 2HB ASP 85 15.539 2.794 -5.429 533 2HB ASP 85 1HB ASP 85 15.641 1.037 -5.519 534 H CYS 86 H CYS 86 11.787 0.200 -6.354 535 HA CYS 86 HA CYS 86 11.525 -0.681 -3.598 536 1HB CYS 86 2HB CYS 86 10.346 -1.289 -6.280 537 2HB CYS 86 1HB CYS 86 10.084 -2.453 -4.982 538 H ALA 87 H ALA 87 13.820 -1.411 -5.927 539 HA ALA 87 HA ALA 87 14.187 -4.167 -6.003 540 1HB ALA 87 1HB ALA 87 15.607 -2.531 -7.136 541 2HB ALA 87 2HB ALA 87 16.619 -3.571 -6.134 542 3HB ALA 87 3HB ALA 87 16.212 -1.945 -5.587 543 H THR 88 H THR 88 15.198 -1.950 -3.393 544 HA THR 88 HA THR 88 15.598 -4.347 -1.631 545 HB THR 88 HB THR 88 17.598 -2.941 -2.228 546 HG1 THR 88 HG1 THR 88 18.271 -2.739 -0.069 547 1HG2 THR 88 1HG2 THR 88 15.923 -0.829 -2.025 548 2HG2 THR 88 2HG2 THR 88 17.673 -0.686 -1.865 549 3HG2 THR 88 3HG2 THR 88 16.661 -0.782 -0.424 550 H ALA 89 H ALA 89 13.689 -1.582 -2.200 551 HA ALA 89 HA ALA 89 12.915 -1.226 0.634 552 1HB ALA 89 1HB ALA 89 11.702 0.698 -0.256 553 2HB ALA 89 2HB ALA 89 11.950 0.123 -1.905 554 3HB ALA 89 3HB ALA 89 13.324 0.678 -0.948 555 H ALA 90 H ALA 90 10.315 -0.832 0.713 556 HA ALA 90 HA ALA 90 9.041 -3.220 -0.588 557 1HB ALA 90 1HB ALA 90 8.655 -3.961 1.507 558 2HB ALA 90 2HB ALA 90 7.761 -2.483 1.864 559 3HB ALA 90 3HB ALA 90 9.500 -2.553 2.152 560 H CYS 91 H CYS 91 7.188 -2.739 -1.726 561 HA CYS 91 HA CYS 91 5.860 -0.106 -1.176 562 1HB CYS 91 2HB CYS 91 5.381 -0.610 -3.858 563 2HB CYS 91 1HB CYS 91 6.630 0.461 -3.252 564 H ASN 92 H ASN 92 3.628 -0.165 -1.089 565 HA ASN 92 HA ASN 92 2.359 -2.856 -1.330 566 1HB ASN 92 2HB ASN 92 1.887 -0.328 0.221 567 2HB ASN 92 1HB ASN 92 0.532 -1.423 -0.058 568 1HD2 ASN 92 1HD2 ASN 92 3.720 -1.161 1.499 569 2HD2 ASN 92 2HD2 ASN 92 3.543 -2.537 2.478 570 H LEU 93 H LEU 93 1.050 -3.199 -3.078 571 HA LEU 93 HA LEU 93 0.333 -0.947 -4.848 572 1HB LEU 93 2HB LEU 93 1.193 -2.942 -5.864 573 2HB LEU 93 1HB LEU 93 0.096 -3.962 -4.935 574 HG LEU 93 HG LEU 93 -1.796 -2.630 -6.123 575 1HD1 LEU 93 1HD1 LEU 93 0.584 -2.070 -7.918 576 2HD1 LEU 93 2HD1 LEU 93 -0.401 -0.872 -7.077 577 3HD1 LEU 93 3HD1 LEU 93 -1.099 -1.825 -8.385 578 1HD2 LEU 93 1HD2 LEU 93 -1.835 -4.779 -6.883 579 2HD2 LEU 93 2HD2 LEU 93 -0.081 -4.844 -7.067 580 3HD2 LEU 93 3HD2 LEU 93 -1.073 -4.096 -8.319 581 H GLY 94 H GLY 94 -1.402 0.199 -3.928 582 1HA GLY 94 2HA GLY 94 -3.760 -1.420 -3.050 583 2HA GLY 94 1HA GLY 94 -3.429 0.226 -2.512 584 H ALA 95 H ALA 95 -5.907 -0.212 -3.484 585 HA ALA 95 HA ALA 95 -5.919 1.447 -5.934 586 1HB ALA 95 1HB ALA 95 -6.722 -1.449 -5.771 587 2HB ALA 95 2HB ALA 95 -5.771 -0.633 -7.013 588 3HB ALA 95 3HB ALA 95 -7.514 -0.382 -6.931 589 H GLY 96 H GLY 96 -7.484 2.962 -5.495 590 1HA GLY 96 2HA GLY 96 -10.181 2.282 -4.852 591 2HA GLY 96 1HA GLY 96 -9.356 2.770 -3.371 592 H ASN 97 H ASN 97 -11.354 4.398 -3.986 593 HA ASN 97 HA ASN 97 -10.136 6.716 -5.421 594 1HB ASN 97 2HB ASN 97 -12.067 6.044 -6.599 595 2HB ASN 97 1HB ASN 97 -12.931 5.643 -5.114 596 1HD2 ASN 97 1HD2 ASN 97 -14.682 7.094 -5.100 597 2HD2 ASN 97 2HD2 ASN 97 -14.533 8.776 -5.267 598 H SER 98 H SER 98 -12.876 6.504 -3.181 599 HA SER 98 HA SER 98 -11.464 7.749 -0.963 600 1HB SER 98 2HB SER 98 -11.937 9.463 -2.939 601 2HB SER 98 1HB SER 98 -13.542 9.505 -2.214 602 HG SER 98 HG SER 98 -11.336 9.677 -0.513 603 H GLY 99 H GLY 99 -14.570 7.114 -2.547 604 1HA GLY 99 2HA GLY 99 -15.926 6.982 0.085 605 2HA GLY 99 1HA GLY 99 -16.720 6.892 -1.489 606 H LEU 100 H LEU 100 -14.307 4.919 -2.083 607 HA LEU 100 HA LEU 100 -15.294 2.549 -0.582 608 1HB LEU 100 2HB LEU 100 -16.663 3.041 -2.700 609 2HB LEU 100 1HB LEU 100 -15.207 2.622 -3.603 610 HG LEU 100 HG LEU 100 -16.797 0.696 -3.281 611 1HD1 LEU 100 1HD1 LEU 100 -14.213 0.203 -1.799 612 2HD1 LEU 100 2HD1 LEU 100 -14.225 0.552 -3.528 613 3HD1 LEU 100 3HD1 LEU 100 -15.064 -0.871 -2.909 614 1HD2 LEU 100 1HD2 LEU 100 -16.976 1.667 -0.702 615 2HD2 LEU 100 2HD2 LEU 100 -15.907 0.278 -0.506 616 3HD2 LEU 100 3HD2 LEU 100 -17.508 0.066 -1.216 617 H ASP 101 H ASP 101 -13.113 2.481 0.277 618 HA ASP 101 HA ASP 101 -10.834 2.287 -1.574 619 1HB ASP 101 2HB ASP 101 -11.180 2.005 1.425 620 2HB ASP 101 1HB ASP 101 -9.618 1.979 0.608 621 H LEU 102 H LEU 102 -9.920 0.375 -2.272 622 HA LEU 102 HA LEU 102 -11.285 -2.153 -1.674 623 1HB LEU 102 2HB LEU 102 -8.812 -1.506 -3.303 624 2HB LEU 102 1HB LEU 102 -9.751 -2.992 -3.394 625 HG LEU 102 HG LEU 102 -10.756 -0.216 -4.067 626 1HD1 LEU 102 1HD1 LEU 102 -9.611 -2.464 -5.623 627 2HD1 LEU 102 2HD1 LEU 102 -9.659 -0.742 -6.002 628 3HD1 LEU 102 3HD1 LEU 102 -11.077 -1.750 -6.294 629 1HD2 LEU 102 1HD2 LEU 102 -12.803 -1.420 -4.792 630 2HD2 LEU 102 2HD2 LEU 102 -12.510 -1.626 -3.065 631 3HD2 LEU 102 3HD2 LEU 102 -12.117 -2.929 -4.188 632 H GLY 103 H GLY 103 -7.800 -1.426 -1.727 633 1HA GLY 103 2HA GLY 103 -7.143 -1.881 0.943 634 2HA GLY 103 1HA GLY 103 -7.221 -3.487 0.215 635 H HIS 104 H HIS 104 -4.868 -3.532 0.729 636 HA HIS 104 HA HIS 104 -3.294 -2.497 -1.576 637 1HB HIS 104 2HB HIS 104 -1.982 -2.160 1.065 638 2HB HIS 104 1HB HIS 104 -1.990 -1.074 -0.320 639 HD1 HIS 104 HD1 HIS 104 -4.362 -2.192 2.457 640 HD2 HIS 104 HD2 HIS 104 -3.649 1.124 0.034 641 HE1 HIS 104 HE1 HIS 104 -5.940 -0.373 3.249 642 H VAL 105 H VAL 105 -1.950 -4.129 -2.265 643 HA VAL 105 HA VAL 105 -1.581 -6.500 -0.508 644 HB VAL 105 HB VAL 105 -1.075 -5.976 -3.453 645 1HG1 VAL 105 1HG1 VAL 105 0.046 -7.926 -3.462 646 2HG1 VAL 105 2HG1 VAL 105 -1.395 -8.738 -2.850 647 3HG1 VAL 105 3HG1 VAL 105 -0.200 -8.095 -1.724 648 1HG2 VAL 105 1HG2 VAL 105 -3.425 -5.921 -3.067 649 2HG2 VAL 105 2HG2 VAL 105 -3.342 -7.241 -1.901 650 3HG2 VAL 105 3HG2 VAL 105 -3.091 -7.563 -3.617 651 H ALA 106 H ALA 106 0.238 -6.260 0.783 652 HA ALA 106 HA ALA 106 2.509 -4.646 0.254 653 1HB ALA 106 1HB ALA 106 3.219 -5.545 2.245 654 2HB ALA 106 2HB ALA 106 2.877 -7.197 1.731 655 3HB ALA 106 3HB ALA 106 1.568 -6.161 2.299 656 H LEU 107 H LEU 107 3.584 -4.887 -1.710 657 HA LEU 107 HA LEU 107 4.058 -7.534 -2.889 658 1HB LEU 107 2HB LEU 107 5.075 -4.766 -3.609 659 2HB LEU 107 1HB LEU 107 5.082 -6.182 -4.662 660 HG LEU 107 HG LEU 107 2.571 -4.989 -3.455 661 1HD1 LEU 107 1HD1 LEU 107 3.092 -3.325 -4.962 662 2HD1 LEU 107 2HD1 LEU 107 2.321 -4.461 -6.069 663 3HD1 LEU 107 3HD1 LEU 107 4.080 -4.391 -5.960 664 1HD2 LEU 107 1HD2 LEU 107 2.128 -6.474 -5.840 665 2HD2 LEU 107 2HD2 LEU 107 1.626 -6.893 -4.202 666 3HD2 LEU 107 3HD2 LEU 107 3.183 -7.449 -4.817 667 H THR 108 H THR 108 6.326 -8.200 -3.468 668 HA THR 108 HA THR 108 8.361 -7.255 -1.478 669 HB THR 108 HB THR 108 8.043 -10.131 -2.320 670 HG1 THR 108 HG1 THR 108 6.739 -8.825 -0.168 671 1HG2 THR 108 1HG2 THR 108 9.659 -8.603 -0.458 672 2HG2 THR 108 2HG2 THR 108 9.840 -10.279 -0.975 673 3HG2 THR 108 3HG2 THR 108 8.773 -9.882 0.371 674 H PHE 109 H PHE 109 10.618 -7.978 -2.172 675 HA PHE 109 HA PHE 109 10.943 -8.545 -5.061 676 1HB PHE 109 2HB PHE 109 11.322 -5.925 -3.708 677 2HB PHE 109 1HB PHE 109 12.568 -6.390 -4.866 678 HD1 PHE 109 HD1 PHE 109 9.297 -5.008 -4.465 679 HD2 PHE 109 HD2 PHE 109 11.760 -7.238 -7.187 680 HE1 PHE 109 HE1 PHE 109 7.792 -4.387 -6.335 681 HE2 PHE 109 HE2 PHE 109 10.254 -6.618 -9.057 682 HZ PHE 109 HZ PHE 109 8.270 -5.193 -8.632 683 H GLY 110 H GLY 110 13.339 -8.792 -5.574 684 1HA GLY 110 2HA GLY 110 15.495 -9.585 -5.059 685 2HA GLY 110 1HA GLY 110 15.249 -9.008 -3.409 Start of MODEL 19 1 1H ALA 1 1H ALA 1 -17.072 -7.473 3.734 2 2H ALA 1 2H ALA 1 -17.010 -6.357 5.013 3 3H ALA 1 3H ALA 1 -15.677 -7.361 4.697 4 HA ALA 1 HA ALA 1 -16.604 -4.988 3.209 5 1HB ALA 1 1HB ALA 1 -14.682 -5.525 5.084 6 2HB ALA 1 2HB ALA 1 -14.574 -4.210 3.913 7 3HB ALA 1 3HB ALA 1 -13.772 -5.748 3.590 8 HA PRO 2 HA PRO 2 -15.535 -6.710 -0.681 9 1HB PRO 2 2HB PRO 2 -13.824 -4.899 -1.811 10 2HB PRO 2 1HB PRO 2 -15.562 -4.588 -1.603 11 1HG PRO 2 2HG PRO 2 -13.256 -3.630 0.021 12 2HG PRO 2 1HG PRO 2 -14.754 -2.795 -0.418 13 1HD PRO 2 2HD PRO 2 -14.294 -3.926 2.042 14 2HD PRO 2 1HD PRO 2 -15.912 -3.674 1.349 15 H ALA 3 H ALA 3 -13.384 -7.089 -2.190 16 HA ALA 3 HA ALA 3 -11.141 -7.906 -0.380 17 1HB ALA 3 1HB ALA 3 -12.976 -9.649 -1.218 18 2HB ALA 3 2HB ALA 3 -11.274 -10.099 -1.119 19 3HB ALA 3 3HB ALA 3 -11.976 -9.640 -2.670 20 H PHE 4 H PHE 4 -9.143 -7.422 -1.210 21 HA PHE 4 HA PHE 4 -8.857 -6.890 -4.138 22 1HB PHE 4 2HB PHE 4 -9.329 -4.757 -3.053 23 2HB PHE 4 1HB PHE 4 -8.115 -5.079 -1.817 24 HD1 PHE 4 HD1 PHE 4 -5.670 -5.455 -2.629 25 HD2 PHE 4 HD2 PHE 4 -8.734 -3.632 -5.024 26 HE1 PHE 4 HE1 PHE 4 -3.934 -4.435 -4.074 27 HE2 PHE 4 HE2 PHE 4 -6.995 -2.612 -6.469 28 HZ PHE 4 HZ PHE 4 -4.597 -3.014 -5.994 29 H SER 5 H SER 5 -7.222 -8.299 -4.733 30 HA SER 5 HA SER 5 -4.706 -8.274 -3.163 31 1HB SER 5 2HB SER 5 -5.789 -10.006 -2.008 32 2HB SER 5 1HB SER 5 -6.623 -10.575 -3.451 33 HG SER 5 HG SER 5 -4.977 -11.811 -3.845 34 H VAL 6 H VAL 6 -3.048 -9.749 -4.317 35 HA VAL 6 HA VAL 6 -3.508 -9.639 -7.278 36 HB VAL 6 HB VAL 6 -1.932 -7.952 -6.304 37 1HG1 VAL 6 1HG1 VAL 6 -1.190 -9.914 -4.608 38 2HG1 VAL 6 2HG1 VAL 6 -0.161 -8.532 -4.982 39 3HG1 VAL 6 3HG1 VAL 6 0.088 -10.068 -5.812 40 1HG2 VAL 6 1HG2 VAL 6 -0.142 -9.796 -7.797 41 2HG2 VAL 6 2HG2 VAL 6 -0.539 -8.109 -8.118 42 3HG2 VAL 6 3HG2 VAL 6 -1.664 -9.384 -8.587 43 H SER 7 H SER 7 -2.808 -11.465 -8.462 44 HA SER 7 HA SER 7 -2.852 -14.020 -7.271 45 1HB SER 7 2HB SER 7 -2.163 -12.781 -9.839 46 2HB SER 7 1HB SER 7 -1.355 -14.321 -9.566 47 HG SER 7 HG SER 7 -3.917 -13.832 -10.197 48 HA PRO 8 HA PRO 8 1.889 -14.234 -7.345 49 1HB PRO 8 2HB PRO 8 3.313 -12.045 -8.158 50 2HB PRO 8 1HB PRO 8 2.757 -13.314 -9.268 51 1HG PRO 8 2HG PRO 8 1.617 -10.613 -8.765 52 2HG PRO 8 1HG PRO 8 1.730 -11.531 -10.272 53 1HD PRO 8 2HD PRO 8 -0.568 -11.309 -8.785 54 2HD PRO 8 1HD PRO 8 -0.214 -12.659 -9.885 55 H ALA 9 H ALA 9 2.003 -10.706 -6.983 56 HA ALA 9 HA ALA 9 2.174 -9.360 -5.037 57 1HB ALA 9 1HB ALA 9 1.624 -11.490 -3.124 58 2HB ALA 9 2HB ALA 9 0.458 -11.490 -4.447 59 3HB ALA 9 3HB ALA 9 0.686 -10.038 -3.473 60 H SER 10 H SER 10 4.219 -11.573 -6.029 61 HA SER 10 HA SER 10 6.316 -10.864 -4.144 62 1HB SER 10 2HB SER 10 4.780 -12.612 -3.016 63 2HB SER 10 1HB SER 10 5.471 -13.763 -4.156 64 HG SER 10 HG SER 10 6.553 -12.622 -1.919 65 H GLY 11 H GLY 11 8.378 -11.461 -4.974 66 1HA GLY 11 2HA GLY 11 9.916 -12.092 -6.631 67 2HA GLY 11 1HA GLY 11 8.843 -13.457 -6.952 68 H LEU 12 H LEU 12 8.632 -9.908 -7.400 69 HA LEU 12 HA LEU 12 7.362 -10.380 -10.047 70 1HB LEU 12 2HB LEU 12 7.772 -7.868 -8.387 71 2HB LEU 12 1HB LEU 12 6.743 -8.008 -9.813 72 HG LEU 12 HG LEU 12 6.393 -9.487 -7.190 73 1HD1 LEU 12 1HD1 LEU 12 4.500 -7.560 -8.554 74 2HD1 LEU 12 2HD1 LEU 12 5.703 -7.024 -7.381 75 3HD1 LEU 12 3HD1 LEU 12 4.439 -8.153 -6.893 76 1HD2 LEU 12 1HD2 LEU 12 4.275 -10.297 -8.315 77 2HD2 LEU 12 2HD2 LEU 12 5.762 -10.963 -8.990 78 3HD2 LEU 12 3HD2 LEU 12 4.916 -9.663 -9.831 79 H SER 13 H SER 13 8.118 -8.892 -11.845 80 HA SER 13 HA SER 13 11.045 -8.321 -11.657 81 1HB SER 13 2HB SER 13 9.903 -10.388 -13.018 82 2HB SER 13 1HB SER 13 9.912 -9.142 -14.263 83 HG SER 13 HG SER 13 11.983 -9.412 -14.418 84 H ASP 14 H ASP 14 11.756 -6.575 -13.066 85 HA ASP 14 HA ASP 14 10.005 -4.329 -13.215 86 1HB ASP 14 2HB ASP 14 12.472 -4.259 -13.133 87 2HB ASP 14 1HB ASP 14 12.545 -4.995 -14.734 88 H GLY 15 H GLY 15 8.244 -4.188 -14.569 89 1HA GLY 15 2HA GLY 15 7.301 -3.915 -16.769 90 2HA GLY 15 1HA GLY 15 8.618 -4.891 -17.416 91 H GLN 16 H GLN 16 8.256 -6.943 -15.293 92 HA GLN 16 HA GLN 16 6.788 -8.904 -16.549 93 1HB GLN 16 2HB GLN 16 8.094 -8.695 -14.227 94 2HB GLN 16 1HB GLN 16 6.450 -8.617 -13.594 95 1HG GLN 16 2HG GLN 16 6.102 -10.689 -15.237 96 2HG GLN 16 1HG GLN 16 7.838 -10.870 -14.981 97 1HE2 GLN 16 1HE2 GLN 16 4.822 -10.358 -13.052 98 2HE2 GLN 16 2HE2 GLN 16 5.328 -11.309 -11.740 99 H SER 17 H SER 17 4.611 -9.505 -16.702 100 HA SER 17 HA SER 17 2.626 -7.393 -16.051 101 1HB SER 17 2HB SER 17 1.348 -8.429 -17.741 102 2HB SER 17 1HB SER 17 3.001 -8.665 -18.301 103 HG SER 17 HG SER 17 2.138 -10.655 -18.390 104 H VAL 18 H VAL 18 1.352 -7.617 -14.259 105 HA VAL 18 HA VAL 18 1.228 -10.258 -12.885 106 HB VAL 18 HB VAL 18 0.561 -8.841 -10.942 107 1HG1 VAL 18 1HG1 VAL 18 3.013 -7.711 -12.311 108 2HG1 VAL 18 2HG1 VAL 18 2.977 -9.305 -11.556 109 3HG1 VAL 18 3HG1 VAL 18 2.721 -7.860 -10.578 110 1HG2 VAL 18 1HG2 VAL 18 1.057 -6.504 -12.823 111 2HG2 VAL 18 2HG2 VAL 18 0.549 -6.416 -11.137 112 3HG2 VAL 18 3HG2 VAL 18 -0.549 -7.064 -12.355 113 H SER 19 H SER 19 -1.014 -10.330 -11.562 114 HA SER 19 HA SER 19 -3.244 -9.506 -13.377 115 1HB SER 19 2HB SER 19 -2.541 -12.217 -12.266 116 2HB SER 19 1HB SER 19 -4.173 -11.843 -12.812 117 HG SER 19 HG SER 19 -3.500 -11.956 -14.799 118 H VAL 20 H VAL 20 -4.488 -8.212 -12.116 119 HA VAL 20 HA VAL 20 -4.580 -8.615 -9.190 120 HB VAL 20 HB VAL 20 -5.534 -6.534 -11.154 121 1HG1 VAL 20 1HG1 VAL 20 -5.979 -6.515 -8.151 122 2HG1 VAL 20 2HG1 VAL 20 -7.240 -6.862 -9.336 123 3HG1 VAL 20 3HG1 VAL 20 -6.476 -5.272 -9.300 124 1HG2 VAL 20 1HG2 VAL 20 -4.067 -5.283 -9.248 125 2HG2 VAL 20 2HG2 VAL 20 -3.362 -5.981 -10.704 126 3HG2 VAL 20 3HG2 VAL 20 -3.339 -6.887 -9.192 127 H SER 21 H SER 21 -6.559 -8.936 -8.073 128 HA SER 21 HA SER 21 -8.962 -9.630 -9.676 129 1HB SER 21 2HB SER 21 -7.861 -11.730 -9.561 130 2HB SER 21 1HB SER 21 -7.311 -11.450 -7.912 131 HG SER 21 HG SER 21 -9.037 -12.640 -7.527 132 H VAL 22 H VAL 22 -10.759 -8.863 -8.586 133 HA VAL 22 HA VAL 22 -10.499 -8.389 -5.636 134 HB VAL 22 HB VAL 22 -11.713 -6.664 -7.812 135 1HG1 VAL 22 1HG1 VAL 22 -12.766 -6.853 -5.349 136 2HG1 VAL 22 2HG1 VAL 22 -12.665 -5.316 -6.207 137 3HG1 VAL 22 3HG1 VAL 22 -11.454 -5.728 -4.993 138 1HG2 VAL 22 1HG2 VAL 22 -9.092 -6.874 -6.963 139 2HG2 VAL 22 2HG2 VAL 22 -9.707 -5.552 -5.971 140 3HG2 VAL 22 3HG2 VAL 22 -9.796 -5.450 -7.730 141 H SER 23 H SER 23 -12.228 -9.103 -4.436 142 HA SER 23 HA SER 23 -14.721 -9.912 -5.887 143 1HB SER 23 2HB SER 23 -13.481 -11.421 -3.589 144 2HB SER 23 1HB SER 23 -14.694 -11.989 -4.730 145 HG SER 23 HG SER 23 -13.124 -11.944 -6.345 146 H GLY 24 H GLY 24 -16.220 -8.497 -5.081 147 1HA GLY 24 2HA GLY 24 -17.407 -8.543 -2.636 148 2HA GLY 24 1HA GLY 24 -16.029 -7.482 -2.331 149 H ALA 25 H ALA 25 -15.782 -5.858 -4.384 150 HA ALA 25 HA ALA 25 -17.916 -4.000 -4.208 151 1HB ALA 25 1HB ALA 25 -16.737 -3.253 -6.469 152 2HB ALA 25 2HB ALA 25 -15.579 -4.503 -6.022 153 3HB ALA 25 3HB ALA 25 -15.872 -3.145 -4.937 154 H ALA 26 H ALA 26 -18.528 -3.355 -6.932 155 HA ALA 26 HA ALA 26 -19.615 -5.697 -8.290 156 1HB ALA 26 1HB ALA 26 -22.015 -4.795 -7.892 157 2HB ALA 26 2HB ALA 26 -21.298 -3.913 -6.543 158 3HB ALA 26 3HB ALA 26 -21.238 -5.676 -6.575 159 H ALA 27 H ALA 27 -20.754 -5.118 -10.255 160 HA ALA 27 HA ALA 27 -19.622 -3.230 -11.904 161 1HB ALA 27 1HB ALA 27 -21.893 -4.929 -11.846 162 2HB ALA 27 2HB ALA 27 -21.140 -4.194 -13.261 163 3HB ALA 27 3HB ALA 27 -22.449 -3.357 -12.423 164 H GLY 28 H GLY 28 -19.762 -1.027 -12.174 165 1HA GLY 28 2HA GLY 28 -21.022 1.070 -12.083 166 2HA GLY 28 1HA GLY 28 -21.866 0.435 -10.678 167 H GLU 29 H GLU 29 -18.857 -0.572 -10.099 168 HA GLU 29 HA GLU 29 -18.146 1.937 -8.617 169 1HB GLU 29 2HB GLU 29 -17.502 -0.972 -8.025 170 2HB GLU 29 1HB GLU 29 -17.148 0.403 -6.978 171 1HG GLU 29 2HG GLU 29 -19.971 0.148 -7.854 172 2HG GLU 29 1HG GLU 29 -19.396 -1.096 -6.744 173 H THR 30 H THR 30 -16.627 2.915 -9.972 174 HA THR 30 HA THR 30 -14.445 1.215 -11.107 175 HB THR 30 HB THR 30 -15.347 4.065 -11.652 176 HG1 THR 30 HG1 THR 30 -16.727 3.123 -12.891 177 1HG2 THR 30 1HG2 THR 30 -12.869 2.968 -12.153 178 2HG2 THR 30 2HG2 THR 30 -13.584 4.308 -13.051 179 3HG2 THR 30 3HG2 THR 30 -13.732 2.659 -13.660 180 H TYR 31 H TYR 31 -12.551 1.217 -9.948 181 HA TYR 31 HA TYR 31 -12.000 3.508 -8.105 182 1HB TYR 31 2HB TYR 31 -10.612 0.824 -8.158 183 2HB TYR 31 1HB TYR 31 -10.814 1.925 -6.796 184 HD1 TYR 31 HD1 TYR 31 -11.915 -1.110 -8.062 185 HD2 TYR 31 HD2 TYR 31 -13.472 2.539 -6.409 186 HE1 TYR 31 HE1 TYR 31 -13.993 -2.296 -7.403 187 HE2 TYR 31 HE2 TYR 31 -15.549 1.351 -5.752 188 HH TYR 31 HH TYR 31 -16.169 -1.116 -5.220 189 H TYR 32 H TYR 32 -9.324 3.353 -7.775 190 HA TYR 32 HA TYR 32 -8.104 3.605 -10.508 191 1HB TYR 32 2HB TYR 32 -7.940 5.438 -8.094 192 2HB TYR 32 1HB TYR 32 -6.917 5.608 -9.520 193 HD1 TYR 32 HD1 TYR 32 -9.778 6.860 -8.035 194 HD2 TYR 32 HD2 TYR 32 -8.402 5.378 -11.823 195 HE1 TYR 32 HE1 TYR 32 -11.582 8.118 -9.182 196 HE2 TYR 32 HE2 TYR 32 -10.206 6.634 -12.972 197 HH TYR 32 HH TYR 32 -12.825 7.649 -11.710 198 H ILE 33 H ILE 33 -6.571 1.946 -10.523 199 HA ILE 33 HA ILE 33 -5.232 1.149 -8.000 200 HB ILE 33 HB ILE 33 -6.172 -0.409 -9.772 201 1HG1 ILE 33 2HG1 ILE 33 -3.393 -1.252 -9.748 202 2HG1 ILE 33 1HG1 ILE 33 -3.861 -0.602 -8.177 203 1HG2 ILE 33 1HG2 ILE 33 -4.732 -0.792 -11.750 204 2HG2 ILE 33 2HG2 ILE 33 -3.705 0.555 -11.256 205 3HG2 ILE 33 3HG2 ILE 33 -5.376 0.850 -11.735 206 1HD1 ILE 33 1HD1 ILE 33 -5.423 -2.706 -9.703 207 2HD1 ILE 33 2HD1 ILE 33 -5.783 -2.105 -8.085 208 3HD1 ILE 33 3HD1 ILE 33 -4.319 -3.046 -8.371 209 H ALA 34 H ALA 34 -3.113 1.622 -7.495 210 HA ALA 34 HA ALA 34 -1.253 2.637 -9.561 211 1HB ALA 34 1HB ALA 34 -2.485 4.623 -8.902 212 2HB ALA 34 2HB ALA 34 -0.881 4.713 -8.175 213 3HB ALA 34 3HB ALA 34 -2.268 4.242 -7.195 214 H GLN 35 H GLN 35 0.969 2.640 -8.784 215 HA GLN 35 HA GLN 35 1.410 0.827 -6.461 216 1HB GLN 35 2HB GLN 35 2.422 1.075 -9.063 217 2HB GLN 35 1HB GLN 35 3.731 1.637 -8.022 218 1HG GLN 35 2HG GLN 35 3.265 -0.478 -6.615 219 2HG GLN 35 1HG GLN 35 2.356 -1.047 -8.015 220 1HE2 GLN 35 1HE2 GLN 35 5.221 -1.635 -6.724 221 2HE2 GLN 35 2HE2 GLN 35 6.212 -1.714 -8.098 222 H CYS 36 H CYS 36 2.760 1.460 -4.696 223 HA CYS 36 HA CYS 36 4.047 4.124 -4.734 224 1HB CYS 36 2HB CYS 36 1.450 4.060 -4.094 225 2HB CYS 36 1HB CYS 36 2.117 3.642 -2.517 226 H ALA 37 H ALA 37 5.664 4.293 -3.167 227 HA ALA 37 HA ALA 37 5.910 2.214 -1.064 228 1HB ALA 37 1HB ALA 37 7.631 2.623 -3.485 229 2HB ALA 37 2HB ALA 37 7.172 1.118 -2.686 230 3HB ALA 37 3HB ALA 37 8.419 2.147 -1.982 231 HA PRO 38 HA PRO 38 7.320 5.841 1.022 232 1HB PRO 38 2HB PRO 38 8.385 4.656 3.238 233 2HB PRO 38 1HB PRO 38 6.640 4.824 2.973 234 1HG PRO 38 2HG PRO 38 8.385 2.444 2.606 235 2HG PRO 38 1HG PRO 38 6.716 2.541 3.191 236 1HD PRO 38 2HD PRO 38 7.420 1.775 0.644 237 2HD PRO 38 1HD PRO 38 5.842 2.467 1.082 238 H VAL 39 H VAL 39 9.401 6.765 1.871 239 HA VAL 39 HA VAL 39 11.787 5.433 0.636 240 HB VAL 39 HB VAL 39 12.551 7.697 0.068 241 1HG1 VAL 39 1HG1 VAL 39 10.769 8.309 -1.536 242 2HG1 VAL 39 2HG1 VAL 39 9.651 7.235 -0.697 243 3HG1 VAL 39 3HG1 VAL 39 11.056 6.569 -1.531 244 1HG2 VAL 39 1HG2 VAL 39 11.845 9.271 1.557 245 2HG2 VAL 39 2HG2 VAL 39 10.358 8.398 1.922 246 3HG2 VAL 39 3HG2 VAL 39 10.457 9.406 0.478 247 H GLY 40 H GLY 40 11.314 4.746 3.174 248 1HA GLY 40 2HA GLY 40 12.059 4.885 5.404 249 2HA GLY 40 1HA GLY 40 13.581 5.351 4.643 250 H GLY 41 H GLY 41 10.505 7.144 4.658 251 1HA GLY 41 2HA GLY 41 10.977 8.949 6.729 252 2HA GLY 41 1HA GLY 41 11.875 9.599 5.361 253 H GLN 42 H GLN 42 10.523 9.699 3.269 254 HA GLN 42 HA GLN 42 7.860 10.858 3.969 255 1HB GLN 42 2HB GLN 42 9.493 11.160 1.437 256 2HB GLN 42 1HB GLN 42 8.188 12.203 2.002 257 1HG GLN 42 2HG GLN 42 9.601 12.725 4.033 258 2HG GLN 42 1HG GLN 42 10.925 11.861 3.251 259 1HE2 GLN 42 1HE2 GLN 42 12.225 13.097 1.879 260 2HE2 GLN 42 2HE2 GLN 42 11.788 14.602 1.227 261 H ASP 43 H ASP 43 6.678 10.799 1.463 262 HA ASP 43 HA ASP 43 6.323 7.858 0.970 263 1HB ASP 43 2HB ASP 43 4.532 9.589 1.986 264 2HB ASP 43 1HB ASP 43 4.243 9.882 0.271 265 H ALA 44 H ALA 44 6.339 7.168 -1.204 266 HA ALA 44 HA ALA 44 6.754 9.290 -3.290 267 1HB ALA 44 1HB ALA 44 8.852 8.151 -2.511 268 2HB ALA 44 2HB ALA 44 8.511 7.870 -4.215 269 3HB ALA 44 3HB ALA 44 8.165 6.613 -3.033 270 H CYS 45 H CYS 45 5.128 9.099 -4.801 271 HA CYS 45 HA CYS 45 3.982 6.365 -5.286 272 1HB CYS 45 2HB CYS 45 2.845 8.892 -4.550 273 2HB CYS 45 1HB CYS 45 2.242 8.451 -6.147 274 H ASN 46 H ASN 46 3.381 5.879 -7.495 275 HA ASN 46 HA ASN 46 4.981 7.410 -9.506 276 1HB ASN 46 2HB ASN 46 5.090 4.819 -8.861 277 2HB ASN 46 1HB ASN 46 3.758 4.730 -10.015 278 1HD2 ASN 46 1HD2 ASN 46 5.665 3.411 -11.140 279 2HD2 ASN 46 2HD2 ASN 46 6.645 4.313 -12.191 280 HA PRO 47 HA PRO 47 0.929 8.618 -10.955 281 1HB PRO 47 2HB PRO 47 1.803 10.510 -12.714 282 2HB PRO 47 1HB PRO 47 1.699 10.790 -10.966 283 1HG PRO 47 2HG PRO 47 4.073 10.280 -12.654 284 2HG PRO 47 1HG PRO 47 3.927 11.214 -11.159 285 1HD PRO 47 2HD PRO 47 4.962 8.620 -11.385 286 2HD PRO 47 1HD PRO 47 4.473 9.426 -9.878 287 H ALA 48 H ALA 48 3.647 7.497 -12.847 288 HA ALA 48 HA ALA 48 2.380 7.352 -15.420 289 1HB ALA 48 1HB ALA 48 4.850 7.183 -14.715 290 2HB ALA 48 2HB ALA 48 4.315 6.087 -15.988 291 3HB ALA 48 3HB ALA 48 4.500 5.497 -14.336 292 H THR 49 H THR 49 2.551 5.077 -12.701 293 HA THR 49 HA THR 49 1.001 3.046 -14.203 294 HB THR 49 HB THR 49 1.331 1.922 -11.852 295 HG1 THR 49 HG1 THR 49 1.979 3.613 -10.650 296 1HG2 THR 49 1HG2 THR 49 3.095 0.872 -12.812 297 2HG2 THR 49 2HG2 THR 49 3.989 2.377 -13.026 298 3HG2 THR 49 3HG2 THR 49 2.754 1.911 -14.195 299 H ALA 50 H ALA 50 -0.116 5.755 -13.208 300 HA ALA 50 HA ALA 50 -2.137 4.868 -11.228 301 1HB ALA 50 1HB ALA 50 -1.985 7.044 -10.659 302 2HB ALA 50 2HB ALA 50 -2.482 7.532 -12.280 303 3HB ALA 50 3HB ALA 50 -0.777 7.249 -11.927 304 H THR 51 H THR 51 -3.235 3.352 -12.759 305 HA THR 51 HA THR 51 -4.781 4.712 -14.915 306 HB THR 51 HB THR 51 -3.415 2.823 -15.615 307 HG1 THR 51 HG1 THR 51 -5.509 2.963 -16.514 308 1HG2 THR 51 1HG2 THR 51 -2.949 1.263 -14.064 309 2HG2 THR 51 2HG2 THR 51 -4.559 0.604 -14.349 310 3HG2 THR 51 3HG2 THR 51 -4.302 1.780 -13.057 311 H SER 52 H SER 52 -7.086 3.757 -15.165 312 HA SER 52 HA SER 52 -8.282 3.362 -12.441 313 1HB SER 52 2HB SER 52 -10.121 4.682 -13.218 314 2HB SER 52 1HB SER 52 -8.667 5.528 -13.738 315 HG SER 52 HG SER 52 -9.052 4.004 -15.694 316 H PHE 53 H PHE 53 -9.923 1.800 -12.244 317 HA PHE 53 HA PHE 53 -10.732 0.223 -14.624 318 1HB PHE 53 2HB PHE 53 -9.886 -1.826 -13.702 319 2HB PHE 53 1HB PHE 53 -8.570 -0.659 -13.554 320 HD1 PHE 53 HD1 PHE 53 -10.409 -3.097 -11.826 321 HD2 PHE 53 HD2 PHE 53 -8.671 0.796 -11.289 322 HE1 PHE 53 HE1 PHE 53 -10.378 -3.448 -9.371 323 HE2 PHE 53 HE2 PHE 53 -8.642 0.445 -8.835 324 HZ PHE 53 HZ PHE 53 -9.496 -1.677 -7.875 325 H THR 54 H THR 54 -12.317 -1.636 -13.618 326 HA THR 54 HA THR 54 -13.743 -0.700 -11.218 327 HB THR 54 HB THR 54 -14.410 0.655 -13.329 328 HG1 THR 54 HG1 THR 54 -16.723 0.290 -12.682 329 1HG2 THR 54 1HG2 THR 54 -16.119 -0.433 -14.733 330 2HG2 THR 54 2HG2 THR 54 -15.877 -1.945 -13.857 331 3HG2 THR 54 3HG2 THR 54 -14.578 -1.281 -14.846 332 H THR 55 H THR 55 -15.732 -2.142 -10.838 333 HA THR 55 HA THR 55 -14.944 -4.950 -11.222 334 HB THR 55 HB THR 55 -17.235 -5.131 -9.917 335 HG1 THR 55 HG1 THR 55 -18.015 -3.115 -10.241 336 1HG2 THR 55 1HG2 THR 55 -16.057 -4.602 -7.838 337 2HG2 THR 55 2HG2 THR 55 -14.844 -3.697 -8.741 338 3HG2 THR 55 3HG2 THR 55 -14.978 -5.442 -8.951 339 H ASP 56 H ASP 56 -17.651 -6.053 -11.418 340 HA ASP 56 HA ASP 56 -18.762 -5.029 -13.968 341 1HB ASP 56 2HB ASP 56 -18.210 -7.022 -15.224 342 2HB ASP 56 1HB ASP 56 -16.722 -6.432 -14.485 343 H ALA 57 H ALA 57 -20.050 -7.567 -14.617 344 HA ALA 57 HA ALA 57 -22.419 -7.422 -13.093 345 1HB ALA 57 1HB ALA 57 -22.383 -9.990 -14.016 346 2HB ALA 57 2HB ALA 57 -21.127 -9.257 -15.013 347 3HB ALA 57 3HB ALA 57 -22.761 -8.596 -15.029 348 H SER 58 H SER 58 -19.988 -10.017 -12.892 349 HA SER 58 HA SER 58 -21.027 -11.106 -10.448 350 1HB SER 58 2HB SER 58 -19.383 -11.987 -12.322 351 2HB SER 58 1HB SER 58 -18.146 -11.298 -11.275 352 HG SER 58 HG SER 58 -19.354 -13.617 -11.027 353 H GLY 59 H GLY 59 -19.400 -8.207 -11.061 354 1HA GLY 59 2HA GLY 59 -18.621 -6.562 -9.583 355 2HA GLY 59 1HA GLY 59 -19.098 -7.605 -8.244 356 H ALA 60 H ALA 60 -17.186 -9.328 -10.394 357 HA ALA 60 HA ALA 60 -14.907 -9.186 -8.522 358 1HB ALA 60 1HB ALA 60 -14.718 -11.354 -9.125 359 2HB ALA 60 2HB ALA 60 -14.615 -10.918 -10.831 360 3HB ALA 60 3HB ALA 60 -16.190 -11.143 -10.073 361 H ALA 61 H ALA 61 -13.292 -7.748 -8.945 362 HA ALA 61 HA ALA 61 -12.959 -6.660 -11.680 363 1HB ALA 61 1HB ALA 61 -11.123 -5.797 -9.561 364 2HB ALA 61 2HB ALA 61 -12.818 -5.657 -9.095 365 3HB ALA 61 3HB ALA 61 -12.230 -4.834 -10.540 366 H SER 62 H SER 62 -12.084 -8.720 -12.568 367 HA SER 62 HA SER 62 -9.308 -9.339 -11.637 368 1HB SER 62 2HB SER 62 -11.619 -10.863 -12.625 369 2HB SER 62 1HB SER 62 -10.093 -11.338 -13.363 370 HG SER 62 HG SER 62 -9.796 -12.388 -11.567 371 H PHE 63 H PHE 63 -7.707 -8.629 -12.955 372 HA PHE 63 HA PHE 63 -7.981 -8.738 -15.875 373 1HB PHE 63 2HB PHE 63 -7.749 -6.293 -16.151 374 2HB PHE 63 1HB PHE 63 -9.209 -6.690 -15.246 375 HD1 PHE 63 HD1 PHE 63 -5.897 -5.154 -15.112 376 HD2 PHE 63 HD2 PHE 63 -9.294 -6.382 -12.781 377 HE1 PHE 63 HE1 PHE 63 -5.096 -3.764 -13.217 378 HE2 PHE 63 HE2 PHE 63 -8.492 -4.993 -10.885 379 HZ PHE 63 HZ PHE 63 -6.393 -3.684 -11.104 380 H SER 64 H SER 64 -5.920 -7.738 -16.903 381 HA SER 64 HA SER 64 -3.571 -8.598 -15.291 382 1HB SER 64 2HB SER 64 -3.717 -9.566 -17.457 383 2HB SER 64 1HB SER 64 -4.159 -8.032 -18.202 384 HG SER 64 HG SER 64 -1.904 -8.752 -18.445 385 H PHE 65 H PHE 65 -2.190 -7.134 -14.432 386 HA PHE 65 HA PHE 65 -2.314 -4.284 -15.370 387 1HB PHE 65 2HB PHE 65 -3.334 -4.668 -13.168 388 2HB PHE 65 1HB PHE 65 -1.901 -5.533 -12.627 389 HD1 PHE 65 HD1 PHE 65 -0.095 -4.382 -11.656 390 HD2 PHE 65 HD2 PHE 65 -3.085 -2.201 -13.835 391 HE1 PHE 65 HE1 PHE 65 0.891 -2.249 -10.868 392 HE2 PHE 65 HE2 PHE 65 -2.097 -0.065 -13.050 393 HZ PHE 65 HZ PHE 65 -0.110 -0.093 -11.564 394 H VAL 66 H VAL 66 -0.098 -3.159 -14.725 395 HA VAL 66 HA VAL 66 2.107 -5.124 -15.286 396 HB VAL 66 HB VAL 66 2.206 -2.169 -15.863 397 1HG1 VAL 66 1HG1 VAL 66 3.908 -2.780 -17.402 398 2HG1 VAL 66 2HG1 VAL 66 3.428 -4.477 -17.380 399 3HG1 VAL 66 3HG1 VAL 66 4.220 -3.766 -15.973 400 1HG2 VAL 66 1HG2 VAL 66 1.097 -4.326 -17.694 401 2HG2 VAL 66 2HG2 VAL 66 1.333 -2.630 -18.118 402 3HG2 VAL 66 3HG2 VAL 66 0.132 -3.076 -16.906 403 H VAL 67 H VAL 67 4.115 -4.774 -14.164 404 HA VAL 67 HA VAL 67 3.959 -2.872 -11.848 405 HB VAL 67 HB VAL 67 4.927 -4.714 -10.472 406 1HG1 VAL 67 1HG1 VAL 67 2.431 -4.298 -10.713 407 2HG1 VAL 67 2HG1 VAL 67 2.871 -5.936 -10.226 408 3HG1 VAL 67 3HG1 VAL 67 2.408 -5.606 -11.896 409 1HG2 VAL 67 1HG2 VAL 67 5.997 -5.925 -12.365 410 2HG2 VAL 67 2HG2 VAL 67 4.398 -6.375 -12.959 411 3HG2 VAL 67 3HG2 VAL 67 4.965 -6.988 -11.407 412 H ARG 68 H ARG 68 6.201 -2.593 -10.842 413 HA ARG 68 HA ARG 68 8.410 -2.983 -12.817 414 1HB ARG 68 2HB ARG 68 7.023 -0.547 -12.100 415 2HB ARG 68 1HB ARG 68 8.715 -0.434 -11.614 416 1HG ARG 68 2HG ARG 68 7.876 -1.378 -14.364 417 2HG ARG 68 1HG ARG 68 8.201 0.318 -13.999 418 1HD ARG 68 2HD ARG 68 10.195 -1.904 -13.440 419 2HD ARG 68 1HD ARG 68 10.205 -0.923 -14.921 420 HE ARG 68 HE ARG 68 10.568 0.181 -12.165 421 1HH1 ARG 68 1HH1 ARG 68 9.451 1.975 -14.398 422 2HH1 ARG 68 2HH1 ARG 68 10.900 2.761 -14.933 423 1HH2 ARG 68 1HH2 ARG 68 13.017 0.503 -13.370 424 2HH2 ARG 68 2HH2 ARG 68 12.919 1.926 -14.350 425 H LYS 69 H LYS 69 10.571 -2.621 -11.741 426 HA LYS 69 HA LYS 69 10.516 -3.672 -8.967 427 1HB LYS 69 2HB LYS 69 11.937 -4.826 -10.503 428 2HB LYS 69 1HB LYS 69 12.599 -3.315 -11.131 429 1HG LYS 69 2HG LYS 69 14.216 -3.337 -9.569 430 2HG LYS 69 1HG LYS 69 13.005 -3.405 -8.288 431 1HD LYS 69 2HD LYS 69 13.855 -5.463 -7.856 432 2HD LYS 69 1HD LYS 69 12.936 -5.971 -9.273 433 1HE LYS 69 2HE LYS 69 14.925 -5.472 -10.707 434 2HE LYS 69 1HE LYS 69 15.845 -5.101 -9.235 435 1HZ LYS 69 1HZ LYS 69 14.423 -7.653 -9.776 436 2HZ LYS 69 2HZ LYS 69 15.313 -7.289 -8.376 437 3HZ LYS 69 3HZ LYS 69 16.101 -7.432 -9.874 438 H SER 70 H SER 70 12.202 -1.065 -10.752 439 HA SER 70 HA SER 70 12.237 0.515 -8.201 440 1HB SER 70 2HB SER 70 14.354 0.762 -10.304 441 2HB SER 70 1HB SER 70 14.487 1.001 -8.565 442 HG SER 70 HG SER 70 15.412 -0.939 -8.911 443 H TYR 71 H TYR 71 11.279 2.517 -8.439 444 HA TYR 71 HA TYR 71 11.194 3.723 -11.171 445 1HB TYR 71 2HB TYR 71 8.824 4.098 -10.953 446 2HB TYR 71 1HB TYR 71 9.116 2.404 -10.562 447 HD1 TYR 71 HD1 TYR 71 8.408 1.518 -8.503 448 HD2 TYR 71 HD2 TYR 71 8.748 5.777 -8.972 449 HE1 TYR 71 HE1 TYR 71 7.347 1.848 -6.283 450 HE2 TYR 71 HE2 TYR 71 7.691 6.105 -6.751 451 HH TYR 71 HH TYR 71 5.902 4.229 -5.269 452 H THR 72 H THR 72 11.456 5.952 -11.159 453 HA THR 72 HA THR 72 12.474 7.248 -8.809 454 HB THR 72 HB THR 72 11.289 8.710 -11.153 455 HG1 THR 72 HG1 THR 72 12.338 7.394 -12.401 456 1HG2 THR 72 1HG2 THR 72 12.415 10.114 -9.609 457 2HG2 THR 72 2HG2 THR 72 13.579 9.852 -10.909 458 3HG2 THR 72 3HG2 THR 72 13.731 8.958 -9.396 459 H GLY 73 H GLY 73 11.207 7.758 -7.073 460 1HA GLY 73 2HA GLY 73 8.324 8.223 -7.415 461 2HA GLY 73 1HA GLY 73 9.195 8.187 -5.886 462 H SER 74 H SER 74 7.405 10.213 -6.199 463 HA SER 74 HA SER 74 9.144 12.571 -6.092 464 1HB SER 74 2HB SER 74 8.024 13.698 -7.966 465 2HB SER 74 1HB SER 74 8.754 12.192 -8.515 466 HG SER 74 HG SER 74 6.783 11.263 -8.598 467 H THR 75 H THR 75 7.625 14.597 -5.824 468 HA THR 75 HA THR 75 5.695 13.956 -3.690 469 HB THR 75 HB THR 75 5.648 16.585 -3.795 470 HG1 THR 75 HG1 THR 75 6.702 16.376 -5.951 471 1HG2 THR 75 1HG2 THR 75 8.019 14.876 -3.056 472 2HG2 THR 75 2HG2 THR 75 6.779 15.538 -1.992 473 3HG2 THR 75 3HG2 THR 75 7.976 16.607 -2.721 474 HA PRO 76 HA PRO 76 2.056 14.577 -6.076 475 1HB PRO 76 2HB PRO 76 0.478 16.165 -4.509 476 2HB PRO 76 1HB PRO 76 0.811 14.461 -4.140 477 1HG PRO 76 2HG PRO 76 1.992 16.918 -2.956 478 2HG PRO 76 1HG PRO 76 1.595 15.372 -2.191 479 1HD PRO 76 2HD PRO 76 4.134 16.124 -2.919 480 2HD PRO 76 1HD PRO 76 3.606 14.440 -2.738 481 H GLU 77 H GLU 77 4.252 16.974 -5.954 482 HA GLU 77 HA GLU 77 2.523 18.894 -7.445 483 1HB GLU 77 2HB GLU 77 4.002 20.651 -6.511 484 2HB GLU 77 1HB GLU 77 3.224 19.715 -5.235 485 1HG GLU 77 2HG GLU 77 5.255 19.231 -4.403 486 2HG GLU 77 1HG GLU 77 5.617 18.348 -5.885 487 H GLY 78 H GLY 78 5.593 17.171 -7.315 488 1HA GLY 78 2HA GLY 78 6.403 16.646 -9.700 489 2HA GLY 78 1HA GLY 78 6.333 18.391 -9.946 490 H THR 79 H THR 79 7.754 16.096 -7.574 491 HA THR 79 HA THR 79 10.416 17.282 -7.986 492 HB THR 79 HB THR 79 9.010 17.493 -5.314 493 HG1 THR 79 HG1 THR 79 8.081 18.964 -6.660 494 1HG2 THR 79 1HG2 THR 79 11.754 17.749 -6.183 495 2HG2 THR 79 2HG2 THR 79 11.097 17.805 -4.546 496 3HG2 THR 79 3HG2 THR 79 11.170 19.275 -5.518 497 HA PRO 80 HA PRO 80 10.783 12.919 -6.913 498 1HB PRO 80 2HB PRO 80 13.292 12.635 -7.964 499 2HB PRO 80 1HB PRO 80 11.815 12.587 -8.950 500 1HG PRO 80 2HG PRO 80 13.745 14.822 -8.542 501 2HG PRO 80 1HG PRO 80 12.896 14.317 -10.012 502 1HD PRO 80 2HD PRO 80 12.121 16.445 -8.492 503 2HD PRO 80 1HD PRO 80 10.994 15.481 -9.473 504 H VAL 81 H VAL 81 11.134 12.750 -4.706 505 HA VAL 81 HA VAL 81 13.211 14.231 -3.307 506 HB VAL 81 HB VAL 81 11.579 11.818 -2.451 507 1HG1 VAL 81 1HG1 VAL 81 13.602 12.833 -1.080 508 2HG1 VAL 81 2HG1 VAL 81 12.104 12.392 -0.259 509 3HG1 VAL 81 3HG1 VAL 81 12.423 14.078 -0.668 510 1HG2 VAL 81 1HG2 VAL 81 9.972 13.385 -3.209 511 2HG2 VAL 81 2HG2 VAL 81 10.912 14.759 -2.624 512 3HG2 VAL 81 3HG2 VAL 81 10.090 13.701 -1.477 513 H GLY 82 H GLY 82 12.902 11.024 -4.711 514 1HA GLY 82 2HA GLY 82 15.665 10.535 -4.949 515 2HA GLY 82 1HA GLY 82 15.159 9.809 -3.422 516 H SER 83 H SER 83 16.062 8.409 -5.834 517 HA SER 83 HA SER 83 13.892 7.280 -7.317 518 1HB SER 83 2HB SER 83 16.424 5.829 -6.580 519 2HB SER 83 1HB SER 83 15.556 5.807 -8.112 520 HG SER 83 HG SER 83 17.292 7.149 -8.378 521 H VAL 84 H VAL 84 12.596 5.460 -6.901 522 HA VAL 84 HA VAL 84 12.709 4.406 -4.105 523 HB VAL 84 HB VAL 84 10.567 4.660 -6.226 524 1HG1 VAL 84 1HG1 VAL 84 10.637 2.966 -3.734 525 2HG1 VAL 84 2HG1 VAL 84 10.052 2.542 -5.343 526 3HG1 VAL 84 3HG1 VAL 84 9.112 3.630 -4.322 527 1HG2 VAL 84 1HG2 VAL 84 11.262 5.950 -3.637 528 2HG2 VAL 84 2HG2 VAL 84 9.547 5.654 -3.920 529 3HG2 VAL 84 3HG2 VAL 84 10.471 6.634 -5.057 530 H ASP 85 H ASP 85 13.061 2.213 -3.781 531 HA ASP 85 HA ASP 85 13.094 0.443 -6.197 532 1HB ASP 85 2HB ASP 85 15.370 1.030 -5.821 533 2HB ASP 85 1HB ASP 85 15.188 0.921 -4.070 534 H CYS 86 H CYS 86 12.122 -1.536 -5.822 535 HA CYS 86 HA CYS 86 10.881 -2.006 -3.190 536 1HB CYS 86 2HB CYS 86 10.206 -2.439 -5.817 537 2HB CYS 86 1HB CYS 86 10.714 -4.049 -5.313 538 H ALA 87 H ALA 87 13.853 -2.734 -4.580 539 HA ALA 87 HA ALA 87 14.285 -5.457 -3.795 540 1HB ALA 87 1HB ALA 87 15.590 -3.586 -5.232 541 2HB ALA 87 2HB ALA 87 16.402 -5.010 -4.579 542 3HB ALA 87 3HB ALA 87 16.500 -3.470 -3.725 543 H THR 88 H THR 88 15.551 -2.497 -2.204 544 HA THR 88 HA THR 88 15.891 -4.019 0.319 545 HB THR 88 HB THR 88 17.614 -2.476 -0.720 546 HG1 THR 88 HG1 THR 88 17.584 -3.002 1.521 547 1HG2 THR 88 1HG2 THR 88 16.628 -0.029 0.340 548 2HG2 THR 88 2HG2 THR 88 15.360 -0.710 -0.680 549 3HG2 THR 88 3HG2 THR 88 16.967 -0.420 -1.346 550 H ALA 89 H ALA 89 13.347 -2.468 -1.076 551 HA ALA 89 HA ALA 89 12.266 -1.610 1.572 552 1HB ALA 89 1HB ALA 89 11.620 -0.239 -1.030 553 2HB ALA 89 2HB ALA 89 13.064 0.199 -0.119 554 3HB ALA 89 3HB ALA 89 11.470 0.393 0.609 555 H ALA 90 H ALA 90 9.706 -1.179 1.079 556 HA ALA 90 HA ALA 90 8.737 -3.607 -0.397 557 1HB ALA 90 1HB ALA 90 7.518 -2.276 2.032 558 2HB ALA 90 2HB ALA 90 8.666 -3.610 2.137 559 3HB ALA 90 3HB ALA 90 7.104 -3.853 1.357 560 H CYS 91 H CYS 91 6.984 -3.282 -1.774 561 HA CYS 91 HA CYS 91 6.104 -0.451 -2.103 562 1HB CYS 91 2HB CYS 91 5.967 -2.835 -3.972 563 2HB CYS 91 1HB CYS 91 5.578 -1.169 -4.396 564 H ASN 92 H ASN 92 3.751 -0.328 -2.955 565 HA ASN 92 HA ASN 92 1.995 -2.474 -1.914 566 1HB ASN 92 2HB ASN 92 2.311 0.306 -0.815 567 2HB ASN 92 1HB ASN 92 0.768 -0.534 -0.666 568 1HD2 ASN 92 1HD2 ASN 92 4.096 -0.460 0.475 569 2HD2 ASN 92 2HD2 ASN 92 3.919 -1.676 1.645 570 H LEU 93 H LEU 93 0.547 -2.755 -3.536 571 HA LEU 93 HA LEU 93 -0.076 -0.515 -5.379 572 1HB LEU 93 2HB LEU 93 0.572 -2.756 -6.221 573 2HB LEU 93 1HB LEU 93 -0.799 -3.468 -5.367 574 HG LEU 93 HG LEU 93 -2.264 -1.830 -6.699 575 1HD1 LEU 93 1HD1 LEU 93 0.221 -0.859 -7.486 576 2HD1 LEU 93 2HD1 LEU 93 -1.320 -0.485 -8.256 577 3HD1 LEU 93 3HD1 LEU 93 -0.316 -1.793 -8.882 578 1HD2 LEU 93 1HD2 LEU 93 -1.547 -3.381 -8.881 579 2HD2 LEU 93 2HD2 LEU 93 -2.656 -3.875 -7.601 580 3HD2 LEU 93 3HD2 LEU 93 -0.953 -4.328 -7.516 581 H GLY 94 H GLY 94 -1.603 0.797 -4.329 582 1HA GLY 94 2HA GLY 94 -3.979 -0.590 -3.159 583 2HA GLY 94 1HA GLY 94 -3.455 1.030 -2.708 584 H ALA 95 H ALA 95 -6.056 0.639 -3.436 585 HA ALA 95 HA ALA 95 -6.199 2.229 -5.934 586 1HB ALA 95 1HB ALA 95 -8.279 0.355 -6.109 587 2HB ALA 95 2HB ALA 95 -6.874 -0.577 -5.591 588 3HB ALA 95 3HB ALA 95 -6.805 0.372 -7.077 589 H GLY 96 H GLY 96 -8.358 3.292 -6.131 590 1HA GLY 96 2HA GLY 96 -10.418 3.049 -4.191 591 2HA GLY 96 1HA GLY 96 -9.317 4.313 -3.646 592 H ASN 97 H ASN 97 -11.790 5.180 -4.161 593 HA ASN 97 HA ASN 97 -11.475 6.703 -6.697 594 1HB ASN 97 2HB ASN 97 -12.939 4.657 -6.962 595 2HB ASN 97 1HB ASN 97 -14.036 5.370 -5.776 596 1HD2 ASN 97 1HD2 ASN 97 -15.552 6.874 -6.559 597 2HD2 ASN 97 2HD2 ASN 97 -15.522 7.537 -8.120 598 H SER 98 H SER 98 -13.090 8.597 -6.707 599 HA SER 98 HA SER 98 -12.876 10.095 -4.248 600 1HB SER 98 2HB SER 98 -12.987 11.492 -6.063 601 2HB SER 98 1HB SER 98 -13.991 10.378 -6.984 602 HG SER 98 HG SER 98 -15.577 11.631 -6.421 603 H GLY 99 H GLY 99 -13.974 8.623 -2.699 604 1HA GLY 99 2HA GLY 99 -16.190 9.077 -1.483 605 2HA GLY 99 1HA GLY 99 -16.948 8.616 -3.007 606 H LEU 100 H LEU 100 -14.640 6.553 -3.286 607 HA LEU 100 HA LEU 100 -15.472 4.610 -1.186 608 1HB LEU 100 2HB LEU 100 -16.876 4.723 -3.447 609 2HB LEU 100 1HB LEU 100 -15.535 3.750 -4.050 610 HG LEU 100 HG LEU 100 -17.386 2.346 -3.166 611 1HD1 LEU 100 1HD1 LEU 100 -15.380 1.805 -1.110 612 2HD1 LEU 100 2HD1 LEU 100 -14.657 2.103 -2.690 613 3HD1 LEU 100 3HD1 LEU 100 -15.856 0.825 -2.497 614 1HD2 LEU 100 1HD2 LEU 100 -17.400 4.294 -1.128 615 2HD2 LEU 100 2HD2 LEU 100 -16.848 2.806 -0.358 616 3HD2 LEU 100 3HD2 LEU 100 -18.392 2.837 -1.210 617 H ASP 101 H ASP 101 -13.325 4.400 -0.421 618 HA ASP 101 HA ASP 101 -11.136 3.850 -2.348 619 1HB ASP 101 2HB ASP 101 -11.444 4.518 0.563 620 2HB ASP 101 1HB ASP 101 -9.943 3.763 0.024 621 H LEU 102 H LEU 102 -9.547 2.023 -1.137 622 HA LEU 102 HA LEU 102 -11.242 -0.317 -0.390 623 1HB LEU 102 2HB LEU 102 -9.188 -0.211 -2.621 624 2HB LEU 102 1HB LEU 102 -10.052 -1.660 -2.105 625 HG LEU 102 HG LEU 102 -11.407 0.861 -3.105 626 1HD1 LEU 102 1HD1 LEU 102 -10.028 -1.166 -4.560 627 2HD1 LEU 102 2HD1 LEU 102 -11.007 0.154 -5.200 628 3HD1 LEU 102 3HD1 LEU 102 -11.756 -1.398 -4.826 629 1HD2 LEU 102 1HD2 LEU 102 -13.412 -0.493 -3.133 630 2HD2 LEU 102 2HD2 LEU 102 -12.681 -0.662 -1.537 631 3HD2 LEU 102 3HD2 LEU 102 -12.495 -1.946 -2.731 632 H GLY 103 H GLY 103 -7.850 -0.417 -1.374 633 1HA GLY 103 2HA GLY 103 -6.649 -0.073 1.193 634 2HA GLY 103 1HA GLY 103 -6.984 -1.790 0.963 635 H HIS 104 H HIS 104 -4.482 -1.759 1.110 636 HA HIS 104 HA HIS 104 -3.380 -1.488 -1.665 637 1HB HIS 104 2HB HIS 104 -1.969 -0.802 0.926 638 2HB HIS 104 1HB HIS 104 -1.376 -0.511 -0.708 639 HD1 HIS 104 HD1 HIS 104 -1.696 1.845 -1.423 640 HD2 HIS 104 HD2 HIS 104 -4.700 0.633 1.199 641 HE1 HIS 104 HE1 HIS 104 -3.218 3.846 -1.102 642 H VAL 105 H VAL 105 -2.063 -3.203 -2.306 643 HA VAL 105 HA VAL 105 -1.835 -5.496 -0.417 644 HB VAL 105 HB VAL 105 -2.128 -5.050 -3.324 645 1HG1 VAL 105 1HG1 VAL 105 -0.886 -7.051 -4.029 646 2HG1 VAL 105 2HG1 VAL 105 -0.303 -7.289 -2.383 647 3HG1 VAL 105 3HG1 VAL 105 0.216 -5.881 -3.306 648 1HG2 VAL 105 1HG2 VAL 105 -3.446 -6.423 -1.362 649 2HG2 VAL 105 2HG2 VAL 105 -2.547 -7.724 -2.142 650 3HG2 VAL 105 3HG2 VAL 105 -3.651 -6.724 -3.087 651 H ALA 106 H ALA 106 0.107 -5.746 0.634 652 HA ALA 106 HA ALA 106 2.440 -4.167 0.001 653 1HB ALA 106 1HB ALA 106 1.597 -6.297 1.888 654 2HB ALA 106 2HB ALA 106 2.411 -4.767 2.215 655 3HB ALA 106 3HB ALA 106 3.333 -6.148 1.622 656 H LEU 107 H LEU 107 3.348 -4.577 -2.023 657 HA LEU 107 HA LEU 107 3.535 -7.247 -3.160 658 1HB LEU 107 2HB LEU 107 4.855 -4.599 -3.831 659 2HB LEU 107 1HB LEU 107 4.849 -6.016 -4.880 660 HG LEU 107 HG LEU 107 2.310 -4.744 -3.841 661 1HD1 LEU 107 1HD1 LEU 107 4.099 -3.978 -6.077 662 2HD1 LEU 107 2HD1 LEU 107 2.919 -3.008 -5.196 663 3HD1 LEU 107 3HD1 LEU 107 2.386 -4.095 -6.479 664 1HD2 LEU 107 1HD2 LEU 107 2.110 -7.067 -4.596 665 2HD2 LEU 107 2HD2 LEU 107 2.932 -6.669 -6.106 666 3HD2 LEU 107 3HD2 LEU 107 1.336 -5.997 -5.766 667 H THR 108 H THR 108 5.778 -8.078 -3.853 668 HA THR 108 HA THR 108 7.873 -7.507 -1.798 669 HB THR 108 HB THR 108 7.528 -10.331 -2.580 670 HG1 THR 108 HG1 THR 108 5.655 -9.336 -0.759 671 1HG2 THR 108 1HG2 THR 108 7.710 -8.875 0.071 672 2HG2 THR 108 2HG2 THR 108 9.057 -9.601 -0.806 673 3HG2 THR 108 3HG2 THR 108 7.787 -10.625 -0.136 674 H PHE 109 H PHE 109 10.016 -7.870 -2.561 675 HA PHE 109 HA PHE 109 10.309 -8.761 -5.396 676 1HB PHE 109 2HB PHE 109 10.665 -6.111 -4.211 677 2HB PHE 109 1HB PHE 109 12.098 -6.661 -5.081 678 HD1 PHE 109 HD1 PHE 109 8.477 -5.937 -5.377 679 HD2 PHE 109 HD2 PHE 109 12.086 -6.953 -7.476 680 HE1 PHE 109 HE1 PHE 109 7.364 -5.432 -7.536 681 HE2 PHE 109 HE2 PHE 109 10.972 -6.448 -9.633 682 HZ PHE 109 HZ PHE 109 8.610 -5.692 -9.666 683 H GLY 110 H GLY 110 11.301 -10.713 -4.575 684 1HA GLY 110 2HA GLY 110 14.103 -10.693 -4.305 685 2HA GLY 110 1HA GLY 110 13.447 -10.704 -2.667 Start of MODEL 20 1 1H ALA 1 1H ALA 1 -15.944 -5.900 4.577 2 2H ALA 1 2H ALA 1 -16.472 -6.921 3.327 3 3H ALA 1 3H ALA 1 -16.950 -5.292 3.351 4 HA ALA 1 HA ALA 1 -14.963 -4.532 2.552 5 1HB ALA 1 1HB ALA 1 -13.990 -5.693 4.663 6 2HB ALA 1 2HB ALA 1 -12.904 -5.431 3.298 7 3HB ALA 1 3HB ALA 1 -13.606 -7.025 3.574 8 HA PRO 2 HA PRO 2 -15.396 -6.919 -1.125 9 1HB PRO 2 2HB PRO 2 -13.683 -5.492 -2.713 10 2HB PRO 2 1HB PRO 2 -15.309 -4.916 -2.275 11 1HG PRO 2 2HG PRO 2 -12.659 -4.131 -1.177 12 2HG PRO 2 1HG PRO 2 -14.114 -3.156 -1.434 13 1HD PRO 2 2HD PRO 2 -13.310 -4.145 1.014 14 2HD PRO 2 1HD PRO 2 -14.977 -3.685 0.608 15 H ALA 3 H ALA 3 -13.211 -7.273 -2.975 16 HA ALA 3 HA ALA 3 -11.142 -8.646 -1.299 17 1HB ALA 3 1HB ALA 3 -12.507 -9.833 -3.723 18 2HB ALA 3 2HB ALA 3 -13.057 -10.122 -2.073 19 3HB ALA 3 3HB ALA 3 -11.454 -10.659 -2.576 20 H PHE 4 H PHE 4 -9.556 -7.063 -1.936 21 HA PHE 4 HA PHE 4 -8.930 -6.976 -4.871 22 1HB PHE 4 2HB PHE 4 -9.418 -4.794 -4.042 23 2HB PHE 4 1HB PHE 4 -8.511 -5.076 -2.554 24 HD1 PHE 4 HD1 PHE 4 -6.301 -4.288 -2.403 25 HD2 PHE 4 HD2 PHE 4 -8.018 -5.019 -6.274 26 HE1 PHE 4 HE1 PHE 4 -4.257 -3.390 -3.487 27 HE2 PHE 4 HE2 PHE 4 -5.977 -4.120 -7.353 28 HZ PHE 4 HZ PHE 4 -4.096 -3.305 -5.962 29 H SER 5 H SER 5 -7.386 -8.611 -5.177 30 HA SER 5 HA SER 5 -4.863 -8.310 -3.634 31 1HB SER 5 2HB SER 5 -6.692 -10.704 -3.629 32 2HB SER 5 1HB SER 5 -4.981 -10.859 -3.242 33 HG SER 5 HG SER 5 -5.969 -10.450 -1.329 34 H VAL 6 H VAL 6 -3.055 -9.379 -4.655 35 HA VAL 6 HA VAL 6 -3.512 -9.985 -7.554 36 HB VAL 6 HB VAL 6 -2.087 -8.025 -6.801 37 1HG1 VAL 6 1HG1 VAL 6 -1.148 -9.728 -4.913 38 2HG1 VAL 6 2HG1 VAL 6 -0.249 -8.313 -5.463 39 3HG1 VAL 6 3HG1 VAL 6 0.116 -9.904 -6.132 40 1HG2 VAL 6 1HG2 VAL 6 -0.937 -8.292 -8.730 41 2HG2 VAL 6 2HG2 VAL 6 -1.651 -9.899 -8.830 42 3HG2 VAL 6 3HG2 VAL 6 -0.066 -9.685 -8.091 43 H SER 7 H SER 7 -2.132 -11.758 -8.453 44 HA SER 7 HA SER 7 -2.025 -14.049 -6.632 45 1HB SER 7 2HB SER 7 -1.918 -13.463 -9.499 46 2HB SER 7 1HB SER 7 -0.828 -14.765 -9.030 47 HG SER 7 HG SER 7 -2.532 -15.971 -8.869 48 HA PRO 8 HA PRO 8 2.636 -13.737 -7.334 49 1HB PRO 8 2HB PRO 8 3.671 -11.855 -9.006 50 2HB PRO 8 1HB PRO 8 3.103 -13.437 -9.574 51 1HG PRO 8 2HG PRO 8 1.806 -10.781 -9.781 52 2HG PRO 8 1HG PRO 8 1.734 -12.165 -10.880 53 1HD PRO 8 2HD PRO 8 -0.250 -11.442 -9.058 54 2HD PRO 8 1HD PRO 8 -0.087 -13.025 -9.845 55 H ALA 9 H ALA 9 1.902 -12.662 -5.179 56 HA ALA 9 HA ALA 9 2.234 -9.775 -4.906 57 1HB ALA 9 1HB ALA 9 2.342 -11.877 -2.731 58 2HB ALA 9 2HB ALA 9 0.829 -11.455 -3.531 59 3HB ALA 9 3HB ALA 9 1.717 -10.232 -2.623 60 H SER 10 H SER 10 4.392 -12.448 -5.047 61 HA SER 10 HA SER 10 6.637 -10.688 -4.153 62 1HB SER 10 2HB SER 10 6.077 -13.545 -3.325 63 2HB SER 10 1HB SER 10 7.548 -12.662 -2.927 64 HG SER 10 HG SER 10 6.412 -12.036 -1.265 65 H GLY 11 H GLY 11 8.788 -11.975 -4.714 66 1HA GLY 11 2HA GLY 11 10.145 -12.721 -6.467 67 2HA GLY 11 1HA GLY 11 8.865 -13.897 -6.766 68 H LEU 12 H LEU 12 8.814 -10.343 -7.024 69 HA LEU 12 HA LEU 12 7.545 -10.575 -9.682 70 1HB LEU 12 2HB LEU 12 8.224 -8.281 -7.817 71 2HB LEU 12 1HB LEU 12 7.378 -8.073 -9.352 72 HG LEU 12 HG LEU 12 6.362 -10.071 -7.350 73 1HD1 LEU 12 1HD1 LEU 12 5.730 -7.103 -7.368 74 2HD1 LEU 12 2HD1 LEU 12 6.645 -7.943 -6.117 75 3HD1 LEU 12 3HD1 LEU 12 4.940 -8.319 -6.364 76 1HD2 LEU 12 1HD2 LEU 12 5.585 -9.582 -9.852 77 2HD2 LEU 12 2HD2 LEU 12 4.685 -8.285 -9.069 78 3HD2 LEU 12 3HD2 LEU 12 4.411 -9.959 -8.594 79 H SER 13 H SER 13 8.426 -9.342 -11.527 80 HA SER 13 HA SER 13 11.376 -8.917 -11.380 81 1HB SER 13 2HB SER 13 9.910 -10.901 -12.750 82 2HB SER 13 1HB SER 13 10.443 -9.761 -13.981 83 HG SER 13 HG SER 13 12.172 -11.022 -13.763 84 H ASP 14 H ASP 14 12.139 -7.140 -12.600 85 HA ASP 14 HA ASP 14 10.444 -4.921 -13.043 86 1HB ASP 14 2HB ASP 14 12.409 -4.009 -14.184 87 2HB ASP 14 1HB ASP 14 12.932 -4.950 -12.790 88 H GLY 15 H GLY 15 8.737 -4.978 -14.480 89 1HA GLY 15 2HA GLY 15 8.040 -4.725 -16.802 90 2HA GLY 15 1HA GLY 15 9.340 -5.824 -17.260 91 H GLN 16 H GLN 16 8.764 -7.745 -15.129 92 HA GLN 16 HA GLN 16 7.094 -9.570 -16.423 93 1HB GLN 16 2HB GLN 16 8.600 -9.928 -14.440 94 2HB GLN 16 1HB GLN 16 7.363 -9.179 -13.428 95 1HG GLN 16 2HG GLN 16 5.732 -10.898 -14.285 96 2HG GLN 16 1HG GLN 16 7.085 -11.704 -15.079 97 1HE2 GLN 16 1HE2 GLN 16 6.018 -13.369 -13.336 98 2HE2 GLN 16 2HE2 GLN 16 6.840 -13.418 -11.851 99 H SER 17 H SER 17 4.862 -10.194 -16.068 100 HA SER 17 HA SER 17 3.088 -7.882 -15.467 101 1HB SER 17 2HB SER 17 3.033 -10.364 -17.084 102 2HB SER 17 1HB SER 17 1.489 -9.879 -16.388 103 HG SER 17 HG SER 17 1.962 -7.755 -17.288 104 H VAL 18 H VAL 18 0.859 -8.826 -14.542 105 HA VAL 18 HA VAL 18 1.209 -10.854 -12.445 106 HB VAL 18 HB VAL 18 0.610 -9.169 -10.659 107 1HG1 VAL 18 1HG1 VAL 18 2.970 -9.898 -11.170 108 2HG1 VAL 18 2HG1 VAL 18 2.851 -8.293 -10.448 109 3HG1 VAL 18 3HG1 VAL 18 3.133 -8.461 -12.180 110 1HG2 VAL 18 1HG2 VAL 18 1.463 -6.998 -12.556 111 2HG2 VAL 18 2HG2 VAL 18 0.465 -6.884 -11.106 112 3HG2 VAL 18 3HG2 VAL 18 -0.216 -7.540 -12.596 113 H SER 19 H SER 19 -0.962 -11.039 -11.181 114 HA SER 19 HA SER 19 -3.217 -10.337 -13.034 115 1HB SER 19 2HB SER 19 -2.435 -12.790 -11.528 116 2HB SER 19 1HB SER 19 -4.153 -12.486 -11.772 117 HG SER 19 HG SER 19 -3.913 -12.802 -13.862 118 H VAL 20 H VAL 20 -4.674 -8.983 -12.134 119 HA VAL 20 HA VAL 20 -4.819 -8.816 -9.153 120 HB VAL 20 HB VAL 20 -5.118 -6.876 -11.435 121 1HG1 VAL 20 1HG1 VAL 20 -7.051 -6.218 -10.321 122 2HG1 VAL 20 2HG1 VAL 20 -5.844 -5.282 -9.440 123 3HG1 VAL 20 3HG1 VAL 20 -6.466 -6.784 -8.756 124 1HG2 VAL 20 1HG2 VAL 20 -3.743 -5.555 -9.633 125 2HG2 VAL 20 2HG2 VAL 20 -2.953 -6.831 -10.555 126 3HG2 VAL 20 3HG2 VAL 20 -3.508 -7.146 -8.912 127 H SER 21 H SER 21 -6.848 -8.999 -8.190 128 HA SER 21 HA SER 21 -9.206 -9.374 -10.002 129 1HB SER 21 2HB SER 21 -7.785 -11.305 -8.335 130 2HB SER 21 1HB SER 21 -9.500 -11.233 -7.941 131 HG SER 21 HG SER 21 -9.967 -12.034 -9.848 132 H VAL 22 H VAL 22 -11.017 -8.345 -9.228 133 HA VAL 22 HA VAL 22 -11.011 -7.463 -6.358 134 HB VAL 22 HB VAL 22 -11.910 -6.104 -8.914 135 1HG1 VAL 22 1HG1 VAL 22 -13.591 -5.498 -7.368 136 2HG1 VAL 22 2HG1 VAL 22 -12.416 -4.189 -7.243 137 3HG1 VAL 22 3HG1 VAL 22 -12.457 -5.456 -6.018 138 1HG2 VAL 22 1HG2 VAL 22 -9.998 -5.115 -6.788 139 2HG2 VAL 22 2HG2 VAL 22 -10.192 -4.523 -8.437 140 3HG2 VAL 22 3HG2 VAL 22 -9.454 -6.098 -8.147 141 H SER 23 H SER 23 -12.562 -8.722 -5.346 142 HA SER 23 HA SER 23 -15.194 -9.061 -6.737 143 1HB SER 23 2HB SER 23 -15.013 -11.286 -5.226 144 2HB SER 23 1HB SER 23 -14.397 -11.212 -6.874 145 HG SER 23 HG SER 23 -12.367 -10.915 -6.098 146 H GLY 24 H GLY 24 -16.668 -7.928 -5.559 147 1HA GLY 24 2HA GLY 24 -17.691 -8.396 -3.116 148 2HA GLY 24 1HA GLY 24 -16.245 -7.488 -2.672 149 H ALA 25 H ALA 25 -16.380 -5.852 -5.149 150 HA ALA 25 HA ALA 25 -18.158 -3.778 -4.118 151 1HB ALA 25 1HB ALA 25 -15.804 -3.845 -5.455 152 2HB ALA 25 2HB ALA 25 -16.868 -2.439 -5.458 153 3HB ALA 25 3HB ALA 25 -16.915 -3.580 -6.797 154 H ALA 26 H ALA 26 -18.802 -2.800 -6.896 155 HA ALA 26 HA ALA 26 -20.431 -4.751 -8.257 156 1HB ALA 26 1HB ALA 26 -22.623 -3.652 -7.435 157 2HB ALA 26 2HB ALA 26 -21.640 -3.011 -6.118 158 3HB ALA 26 3HB ALA 26 -21.802 -4.756 -6.331 159 H ALA 27 H ALA 27 -21.170 -3.961 -10.177 160 HA ALA 27 HA ALA 27 -20.116 -1.842 -11.532 161 1HB ALA 27 1HB ALA 27 -22.786 -1.899 -12.365 162 2HB ALA 27 2HB ALA 27 -22.514 -3.493 -11.660 163 3HB ALA 27 3HB ALA 27 -21.484 -2.922 -12.973 164 H GLY 28 H GLY 28 -20.230 0.346 -11.425 165 1HA GLY 28 2HA GLY 28 -21.736 2.339 -11.215 166 2HA GLY 28 1HA GLY 28 -22.397 1.555 -9.782 167 H GLU 29 H GLU 29 -19.115 0.910 -9.937 168 HA GLU 29 HA GLU 29 -18.383 3.362 -8.400 169 1HB GLU 29 2HB GLU 29 -17.836 0.510 -7.531 170 2HB GLU 29 1HB GLU 29 -17.533 1.980 -6.602 171 1HG GLU 29 2HG GLU 29 -20.279 1.098 -7.534 172 2HG GLU 29 1HG GLU 29 -19.635 0.788 -5.920 173 H THR 30 H THR 30 -16.580 4.158 -9.381 174 HA THR 30 HA THR 30 -14.755 2.296 -10.832 175 HB THR 30 HB THR 30 -14.740 5.322 -10.812 176 HG1 THR 30 HG1 THR 30 -16.580 5.268 -11.784 177 1HG2 THR 30 1HG2 THR 30 -13.845 3.176 -12.745 178 2HG2 THR 30 2HG2 THR 30 -12.839 4.358 -11.906 179 3HG2 THR 30 3HG2 THR 30 -13.940 4.882 -13.178 180 H TYR 31 H TYR 31 -12.696 1.927 -10.019 181 HA TYR 31 HA TYR 31 -11.819 3.610 -7.693 182 1HB TYR 31 2HB TYR 31 -11.258 0.698 -8.298 183 2HB TYR 31 1HB TYR 31 -10.834 1.558 -6.819 184 HD1 TYR 31 HD1 TYR 31 -12.980 2.963 -5.865 185 HD2 TYR 31 HD2 TYR 31 -13.117 -0.678 -8.136 186 HE1 TYR 31 HE1 TYR 31 -15.221 2.464 -4.920 187 HE2 TYR 31 HE2 TYR 31 -15.359 -1.177 -7.190 188 HH TYR 31 HH TYR 31 -16.985 1.106 -4.990 189 H TYR 32 H TYR 32 -9.269 2.920 -7.401 190 HA TYR 32 HA TYR 32 -7.947 3.299 -10.066 191 1HB TYR 32 2HB TYR 32 -7.599 4.738 -7.425 192 2HB TYR 32 1HB TYR 32 -6.381 4.814 -8.698 193 HD1 TYR 32 HD1 TYR 32 -7.008 5.720 -10.966 194 HD2 TYR 32 HD2 TYR 32 -9.622 6.000 -7.569 195 HE1 TYR 32 HE1 TYR 32 -8.314 7.487 -12.117 196 HE2 TYR 32 HE2 TYR 32 -10.928 7.767 -8.719 197 HH TYR 32 HH TYR 32 -9.812 9.323 -11.556 198 H ILE 33 H ILE 33 -5.648 2.549 -10.043 199 HA ILE 33 HA ILE 33 -4.910 0.764 -7.766 200 HB ILE 33 HB ILE 33 -6.198 -0.577 -9.361 201 1HG1 ILE 33 2HG1 ILE 33 -3.385 -1.342 -10.030 202 2HG1 ILE 33 1HG1 ILE 33 -3.837 -1.292 -8.324 203 1HG2 ILE 33 1HG2 ILE 33 -6.075 -0.235 -11.584 204 2HG2 ILE 33 2HG2 ILE 33 -4.325 -0.449 -11.578 205 3HG2 ILE 33 3HG2 ILE 33 -5.021 1.136 -11.243 206 1HD1 ILE 33 1HD1 ILE 33 -5.960 -2.626 -9.211 207 2HD1 ILE 33 2HD1 ILE 33 -4.457 -3.462 -8.821 208 3HD1 ILE 33 3HD1 ILE 33 -4.843 -3.078 -10.498 209 H ALA 34 H ALA 34 -2.863 1.462 -7.239 210 HA ALA 34 HA ALA 34 -0.846 1.685 -9.420 211 1HB ALA 34 1HB ALA 34 -1.721 3.917 -7.573 212 2HB ALA 34 2HB ALA 34 -1.746 3.910 -9.336 213 3HB ALA 34 3HB ALA 34 -0.208 3.966 -8.477 214 H GLN 35 H GLN 35 1.385 2.092 -8.440 215 HA GLN 35 HA GLN 35 1.659 0.543 -5.895 216 1HB GLN 35 2HB GLN 35 2.796 0.305 -8.403 217 2HB GLN 35 1HB GLN 35 4.039 1.190 -7.517 218 1HG GLN 35 2HG GLN 35 3.988 -0.533 -5.734 219 2HG GLN 35 1HG GLN 35 2.766 -1.423 -6.645 220 1HE2 GLN 35 1HE2 GLN 35 6.144 -0.210 -6.920 221 2HE2 GLN 35 2HE2 GLN 35 6.648 -1.414 -8.007 222 H CYS 36 H CYS 36 3.323 1.367 -4.332 223 HA CYS 36 HA CYS 36 4.282 4.124 -4.674 224 1HB CYS 36 2HB CYS 36 1.721 3.737 -3.765 225 2HB CYS 36 1HB CYS 36 2.628 3.843 -2.257 226 H ALA 37 H ALA 37 6.007 4.542 -3.340 227 HA ALA 37 HA ALA 37 6.583 2.721 -1.047 228 1HB ALA 37 1HB ALA 37 7.706 2.420 -3.549 229 2HB ALA 37 2HB ALA 37 8.469 1.894 -2.048 230 3HB ALA 37 3HB ALA 37 8.885 3.457 -2.747 231 HA PRO 38 HA PRO 38 7.696 6.538 0.835 232 1HB PRO 38 2HB PRO 38 9.612 5.730 2.606 233 2HB PRO 38 1HB PRO 38 7.881 5.420 2.833 234 1HG PRO 38 2HG PRO 38 10.011 3.593 1.824 235 2HG PRO 38 1HG PRO 38 8.646 3.250 2.902 236 1HD PRO 38 2HD PRO 38 8.647 2.603 0.254 237 2HD PRO 38 1HD PRO 38 7.167 2.981 1.164 238 H VAL 39 H VAL 39 9.564 8.042 1.137 239 HA VAL 39 HA VAL 39 11.934 7.367 -0.550 240 HB VAL 39 HB VAL 39 11.675 9.747 -1.448 241 1HG1 VAL 39 1HG1 VAL 39 11.106 7.955 -2.902 242 2HG1 VAL 39 2HG1 VAL 39 9.730 9.052 -2.956 243 3HG1 VAL 39 3HG1 VAL 39 9.643 7.578 -1.992 244 1HG2 VAL 39 1HG2 VAL 39 9.768 9.900 0.552 245 2HG2 VAL 39 2HG2 VAL 39 8.791 9.694 -0.903 246 3HG2 VAL 39 3HG2 VAL 39 9.930 11.035 -0.787 247 H GLY 40 H GLY 40 12.186 7.188 2.081 248 1HA GLY 40 2HA GLY 40 13.766 7.970 3.671 249 2HA GLY 40 1HA GLY 40 13.930 9.454 2.734 250 H GLY 41 H GLY 41 10.844 9.674 2.750 251 1HA GLY 41 2HA GLY 41 9.965 9.914 5.447 252 2HA GLY 41 1HA GLY 41 10.643 11.463 4.956 253 H GLN 42 H GLN 42 9.793 11.388 2.210 254 HA GLN 42 HA GLN 42 6.927 12.038 2.624 255 1HB GLN 42 2HB GLN 42 9.041 12.571 0.549 256 2HB GLN 42 1HB GLN 42 7.342 12.806 0.139 257 1HG GLN 42 2HG GLN 42 7.981 13.963 2.737 258 2HG GLN 42 1HG GLN 42 8.989 14.641 1.459 259 1HE2 GLN 42 1HE2 GLN 42 6.059 15.107 2.992 260 2HE2 GLN 42 2HE2 GLN 42 5.224 15.911 1.751 261 H ASP 43 H ASP 43 5.391 11.347 0.822 262 HA ASP 43 HA ASP 43 5.772 8.452 0.284 263 1HB ASP 43 2HB ASP 43 3.473 10.409 0.257 264 2HB ASP 43 1HB ASP 43 3.299 8.780 -0.399 265 H ALA 44 H ALA 44 5.972 7.642 -1.788 266 HA ALA 44 HA ALA 44 5.802 9.597 -4.057 267 1HB ALA 44 1HB ALA 44 8.006 9.255 -4.387 268 2HB ALA 44 2HB ALA 44 7.735 7.515 -4.488 269 3HB ALA 44 3HB ALA 44 8.037 8.272 -2.924 270 H CYS 45 H CYS 45 4.504 8.858 -5.696 271 HA CYS 45 HA CYS 45 3.852 5.929 -5.733 272 1HB CYS 45 2HB CYS 45 2.291 8.399 -5.741 273 2HB CYS 45 1HB CYS 45 1.849 7.332 -7.073 274 H ASN 46 H ASN 46 3.441 5.034 -7.905 275 HA ASN 46 HA ASN 46 5.271 6.184 -9.927 276 1HB ASN 46 2HB ASN 46 4.778 3.685 -9.034 277 2HB ASN 46 1HB ASN 46 3.665 3.728 -10.400 278 1HD2 ASN 46 1HD2 ASN 46 6.255 2.211 -10.125 279 2HD2 ASN 46 2HD2 ASN 46 7.207 2.713 -11.436 280 HA PRO 47 HA PRO 47 1.621 7.879 -11.893 281 1HB PRO 47 2HB PRO 47 2.955 9.521 -13.612 282 2HB PRO 47 1HB PRO 47 2.688 9.922 -11.904 283 1HG PRO 47 2HG PRO 47 5.149 8.996 -13.258 284 2HG PRO 47 1HG PRO 47 4.959 10.018 -11.827 285 1HD PRO 47 2HD PRO 47 5.626 7.289 -11.838 286 2HD PRO 47 1HD PRO 47 5.108 8.238 -10.429 287 H ALA 48 H ALA 48 4.465 6.593 -13.572 288 HA ALA 48 HA ALA 48 3.371 6.331 -16.186 289 1HB ALA 48 1HB ALA 48 5.763 5.993 -15.184 290 2HB ALA 48 2HB ALA 48 5.277 5.008 -16.564 291 3HB ALA 48 3HB ALA 48 5.235 4.328 -14.938 292 H THR 49 H THR 49 3.352 4.057 -13.447 293 HA THR 49 HA THR 49 1.668 2.148 -14.940 294 HB THR 49 HB THR 49 1.867 0.989 -12.627 295 HG1 THR 49 HG1 THR 49 2.876 2.066 -11.152 296 1HG2 THR 49 1HG2 THR 49 4.189 1.648 -14.434 297 2HG2 THR 49 2HG2 THR 49 3.216 0.177 -14.397 298 3HG2 THR 49 3HG2 THR 49 4.349 0.518 -13.090 299 H ALA 50 H ALA 50 0.784 4.961 -13.960 300 HA ALA 50 HA ALA 50 -1.270 4.434 -11.958 301 1HB ALA 50 1HB ALA 50 -1.310 6.803 -13.774 302 2HB ALA 50 2HB ALA 50 0.101 6.596 -12.736 303 3HB ALA 50 3HB ALA 50 -1.505 6.733 -12.024 304 H THR 51 H THR 51 -3.350 3.781 -12.364 305 HA THR 51 HA THR 51 -4.655 4.295 -14.935 306 HB THR 51 HB THR 51 -3.175 2.369 -15.402 307 HG1 THR 51 HG1 THR 51 -5.752 1.291 -15.142 308 1HG2 THR 51 1HG2 THR 51 -3.740 1.673 -12.776 309 2HG2 THR 51 2HG2 THR 51 -2.887 0.666 -13.947 310 3HG2 THR 51 3HG2 THR 51 -4.625 0.472 -13.716 311 H SER 52 H SER 52 -6.953 3.620 -14.851 312 HA SER 52 HA SER 52 -7.903 3.011 -12.068 313 1HB SER 52 2HB SER 52 -8.140 5.395 -12.724 314 2HB SER 52 1HB SER 52 -9.085 4.903 -14.125 315 HG SER 52 HG SER 52 -10.732 4.878 -12.832 316 H PHE 53 H PHE 53 -10.065 1.983 -12.029 317 HA PHE 53 HA PHE 53 -10.967 0.779 -14.592 318 1HB PHE 53 2HB PHE 53 -10.859 -1.472 -13.561 319 2HB PHE 53 1HB PHE 53 -9.266 -0.720 -13.627 320 HD1 PHE 53 HD1 PHE 53 -8.359 0.433 -11.549 321 HD2 PHE 53 HD2 PHE 53 -11.850 -2.072 -11.486 322 HE1 PHE 53 HE1 PHE 53 -8.145 0.193 -9.088 323 HE2 PHE 53 HE2 PHE 53 -11.635 -2.309 -9.026 324 HZ PHE 53 HZ PHE 53 -9.782 -1.178 -7.829 325 H THR 54 H THR 54 -12.925 -0.804 -13.851 326 HA THR 54 HA THR 54 -14.541 0.508 -11.740 327 HB THR 54 HB THR 54 -15.478 -0.049 -14.568 328 HG1 THR 54 HG1 THR 54 -14.631 1.794 -15.036 329 1HG2 THR 54 1HG2 THR 54 -17.285 -0.096 -12.950 330 2HG2 THR 54 2HG2 THR 54 -17.379 1.418 -13.849 331 3HG2 THR 54 3HG2 THR 54 -16.716 1.404 -12.215 332 H THR 55 H THR 55 -16.240 -0.898 -10.930 333 HA THR 55 HA THR 55 -15.579 -3.686 -10.863 334 HB THR 55 HB THR 55 -17.820 -3.811 -9.738 335 HG1 THR 55 HG1 THR 55 -18.533 -1.411 -9.493 336 1HG2 THR 55 1HG2 THR 55 -15.982 -3.233 -8.371 337 2HG2 THR 55 2HG2 THR 55 -17.240 -2.052 -8.001 338 3HG2 THR 55 3HG2 THR 55 -15.895 -1.610 -9.051 339 H ASP 56 H ASP 56 -18.319 -4.728 -11.219 340 HA ASP 56 HA ASP 56 -18.856 -4.388 -14.127 341 1HB ASP 56 2HB ASP 56 -17.296 -6.529 -12.923 342 2HB ASP 56 1HB ASP 56 -18.707 -7.163 -13.767 343 H ALA 57 H ALA 57 -20.458 -6.694 -14.418 344 HA ALA 57 HA ALA 57 -22.912 -5.881 -13.235 345 1HB ALA 57 1HB ALA 57 -21.817 -8.147 -14.786 346 2HB ALA 57 2HB ALA 57 -23.291 -7.218 -15.059 347 3HB ALA 57 3HB ALA 57 -23.273 -8.514 -13.861 348 H SER 58 H SER 58 -20.835 -8.653 -12.458 349 HA SER 58 HA SER 58 -22.278 -9.083 -9.926 350 1HB SER 58 2HB SER 58 -20.395 -10.903 -9.848 351 2HB SER 58 1HB SER 58 -21.668 -11.064 -11.054 352 HG SER 58 HG SER 58 -20.215 -10.797 -12.544 353 H GLY 59 H GLY 59 -20.354 -6.711 -10.729 354 1HA GLY 59 2HA GLY 59 -18.854 -5.339 -9.571 355 2HA GLY 59 1HA GLY 59 -19.321 -6.203 -8.114 356 H ALA 60 H ALA 60 -17.820 -7.574 -11.015 357 HA ALA 60 HA ALA 60 -15.494 -8.348 -9.288 358 1HB ALA 60 1HB ALA 60 -15.510 -10.425 -10.355 359 2HB ALA 60 2HB ALA 60 -16.331 -9.791 -11.782 360 3HB ALA 60 3HB ALA 60 -17.231 -10.043 -10.287 361 H ALA 61 H ALA 61 -13.927 -6.889 -9.829 362 HA ALA 61 HA ALA 61 -13.489 -6.261 -12.710 363 1HB ALA 61 1HB ALA 61 -11.920 -4.549 -11.283 364 2HB ALA 61 2HB ALA 61 -13.196 -4.876 -10.110 365 3HB ALA 61 3HB ALA 61 -13.602 -4.217 -11.695 366 H SER 62 H SER 62 -12.310 -8.222 -13.179 367 HA SER 62 HA SER 62 -9.668 -8.493 -11.777 368 1HB SER 62 2HB SER 62 -9.861 -10.795 -12.197 369 2HB SER 62 1HB SER 62 -11.533 -10.335 -11.899 370 HG SER 62 HG SER 62 -11.740 -11.306 -13.786 371 H PHE 63 H PHE 63 -7.879 -7.980 -12.981 372 HA PHE 63 HA PHE 63 -7.938 -8.318 -15.931 373 1HB PHE 63 2HB PHE 63 -7.137 -5.865 -16.085 374 2HB PHE 63 1HB PHE 63 -8.852 -6.136 -15.774 375 HD1 PHE 63 HD1 PHE 63 -5.589 -5.503 -14.058 376 HD2 PHE 63 HD2 PHE 63 -9.874 -5.269 -13.831 377 HE1 PHE 63 HE1 PHE 63 -5.408 -4.232 -11.935 378 HE2 PHE 63 HE2 PHE 63 -9.692 -3.997 -11.707 379 HZ PHE 63 HZ PHE 63 -7.458 -3.479 -10.760 380 H SER 64 H SER 64 -5.700 -7.516 -16.819 381 HA SER 64 HA SER 64 -3.611 -8.702 -15.074 382 1HB SER 64 2HB SER 64 -2.345 -8.408 -17.332 383 2HB SER 64 1HB SER 64 -3.642 -9.597 -17.254 384 HG SER 64 HG SER 64 -3.458 -7.645 -18.932 385 H PHE 65 H PHE 65 -1.851 -7.526 -14.318 386 HA PHE 65 HA PHE 65 -1.660 -4.632 -15.084 387 1HB PHE 65 2HB PHE 65 -2.860 -4.951 -12.941 388 2HB PHE 65 1HB PHE 65 -1.496 -5.882 -12.322 389 HD1 PHE 65 HD1 PHE 65 -2.244 -2.568 -13.905 390 HD2 PHE 65 HD2 PHE 65 0.167 -4.780 -11.126 391 HE1 PHE 65 HE1 PHE 65 -1.126 -0.470 -13.207 392 HE2 PHE 65 HE2 PHE 65 1.285 -2.682 -10.427 393 HZ PHE 65 HZ PHE 65 0.635 -0.534 -11.470 394 H VAL 66 H VAL 66 0.576 -3.751 -14.613 395 HA VAL 66 HA VAL 66 2.630 -5.935 -14.819 396 HB VAL 66 HB VAL 66 2.776 -3.039 -15.690 397 1HG1 VAL 66 1HG1 VAL 66 4.980 -3.683 -15.711 398 2HG1 VAL 66 2HG1 VAL 66 4.511 -4.395 -17.255 399 3HG1 VAL 66 3HG1 VAL 66 4.585 -5.400 -15.806 400 1HG2 VAL 66 1HG2 VAL 66 2.477 -4.098 -17.995 401 2HG2 VAL 66 2HG2 VAL 66 1.036 -4.049 -16.981 402 3HG2 VAL 66 3HG2 VAL 66 1.944 -5.552 -17.153 403 H VAL 67 H VAL 67 4.818 -5.288 -13.907 404 HA VAL 67 HA VAL 67 4.579 -3.444 -11.556 405 HB VAL 67 HB VAL 67 5.643 -5.187 -10.180 406 1HG1 VAL 67 1HG1 VAL 67 3.053 -5.081 -10.865 407 2HG1 VAL 67 2HG1 VAL 67 3.685 -6.344 -9.808 408 3HG1 VAL 67 3HG1 VAL 67 3.430 -6.675 -11.522 409 1HG2 VAL 67 1HG2 VAL 67 6.053 -6.368 -12.830 410 2HG2 VAL 67 2HG2 VAL 67 5.383 -7.519 -11.673 411 3HG2 VAL 67 3HG2 VAL 67 6.899 -6.693 -11.316 412 H ARG 68 H ARG 68 6.900 -3.182 -10.563 413 HA ARG 68 HA ARG 68 9.065 -3.392 -12.597 414 1HB ARG 68 2HB ARG 68 7.566 -0.990 -11.798 415 2HB ARG 68 1HB ARG 68 9.313 -0.797 -11.666 416 1HG ARG 68 2HG ARG 68 8.931 -2.130 -14.098 417 2HG ARG 68 1HG ARG 68 7.659 -0.911 -14.049 418 1HD ARG 68 2HD ARG 68 9.140 0.799 -14.293 419 2HD ARG 68 1HD ARG 68 10.282 0.078 -13.139 420 HE ARG 68 HE ARG 68 10.001 -0.927 -15.946 421 1HH1 ARG 68 1HH2 ARG 68 11.956 0.819 -13.844 422 2HH1 ARG 68 2HH2 ARG 68 13.409 -0.058 -14.190 423 1HH2 ARG 68 1HH1 ARG 68 11.810 -2.474 -16.096 424 2HH2 ARG 68 2HH1 ARG 68 13.327 -1.924 -15.464 425 H LYS 69 H LYS 69 11.138 -3.450 -11.613 426 HA LYS 69 HA LYS 69 11.285 -4.203 -8.843 427 1HB LYS 69 2HB LYS 69 12.917 -4.102 -11.164 428 2HB LYS 69 1HB LYS 69 13.785 -3.236 -9.900 429 1HG LYS 69 2HG LYS 69 13.328 -5.198 -8.371 430 2HG LYS 69 1HG LYS 69 12.717 -6.067 -9.778 431 1HD LYS 69 2HD LYS 69 15.156 -6.506 -9.235 432 2HD LYS 69 1HD LYS 69 14.853 -5.945 -10.881 433 1HE LYS 69 2HE LYS 69 15.767 -3.835 -10.478 434 2HE LYS 69 1HE LYS 69 15.435 -3.917 -8.735 435 1HZ LYS 69 1HZ LYS 69 17.602 -4.509 -8.652 436 2HZ LYS 69 2HZ LYS 69 17.636 -5.068 -10.256 437 3HZ LYS 69 3HZ LYS 69 16.989 -6.045 -9.026 438 H SER 70 H SER 70 12.361 -1.238 -10.539 439 HA SER 70 HA SER 70 11.997 0.267 -7.977 440 1HB SER 70 2HB SER 70 14.142 1.358 -8.392 441 2HB SER 70 1HB SER 70 14.382 -0.387 -8.397 442 HG SER 70 HG SER 70 15.283 0.978 -10.204 443 H TYR 71 H TYR 71 11.856 2.682 -8.435 444 HA TYR 71 HA TYR 71 11.390 3.595 -11.153 445 1HB TYR 71 2HB TYR 71 8.972 3.749 -11.036 446 2HB TYR 71 1HB TYR 71 9.422 2.092 -10.629 447 HD1 TYR 71 HD1 TYR 71 8.303 5.345 -9.245 448 HD2 TYR 71 HD2 TYR 71 9.107 1.210 -8.402 449 HE1 TYR 71 HE1 TYR 71 7.170 5.572 -7.048 450 HE2 TYR 71 HE2 TYR 71 7.975 1.438 -6.206 451 HH TYR 71 HH TYR 71 6.006 4.031 -5.405 452 H THR 72 H THR 72 11.054 5.894 -11.202 453 HA THR 72 HA THR 72 12.044 7.361 -8.923 454 HB THR 72 HB THR 72 10.519 8.371 -11.338 455 HG1 THR 72 HG1 THR 72 12.215 7.927 -12.500 456 1HG2 THR 72 1HG2 THR 72 11.955 9.607 -9.153 457 2HG2 THR 72 2HG2 THR 72 11.013 10.369 -10.436 458 3HG2 THR 72 3HG2 THR 72 12.718 9.996 -10.694 459 H GLY 73 H GLY 73 10.817 7.620 -7.088 460 1HA GLY 73 2HA GLY 73 7.995 7.325 -6.932 461 2HA GLY 73 1HA GLY 73 8.985 8.142 -5.724 462 H SER 74 H SER 74 6.767 9.417 -5.836 463 HA SER 74 HA SER 74 7.282 11.790 -7.562 464 1HB SER 74 2HB SER 74 4.588 10.475 -7.197 465 2HB SER 74 1HB SER 74 4.985 11.787 -8.302 466 HG SER 74 HG SER 74 6.634 10.099 -9.063 467 H THR 75 H THR 75 5.339 13.435 -6.871 468 HA THR 75 HA THR 75 5.607 13.710 -3.910 469 HB THR 75 HB THR 75 4.933 16.128 -4.657 470 HG1 THR 75 HG1 THR 75 5.089 16.525 -6.768 471 1HG2 THR 75 1HG2 THR 75 7.449 16.037 -5.837 472 2HG2 THR 75 2HG2 THR 75 7.441 14.651 -4.749 473 3HG2 THR 75 3HG2 THR 75 7.119 16.267 -4.121 474 HA PRO 76 HA PRO 76 1.290 13.361 -3.236 475 1HB PRO 76 2HB PRO 76 0.632 15.607 -1.796 476 2HB PRO 76 1HB PRO 76 1.522 14.233 -1.106 477 1HG PRO 76 2HG PRO 76 2.573 16.827 -2.155 478 2HG PRO 76 1HG PRO 76 3.029 15.937 -0.691 479 1HD PRO 76 2HD PRO 76 4.530 15.841 -2.916 480 2HD PRO 76 1HD PRO 76 4.350 14.429 -1.855 481 H GLU 77 H GLU 77 2.569 15.977 -4.997 482 HA GLU 77 HA GLU 77 -0.024 17.112 -5.795 483 1HB GLU 77 2HB GLU 77 2.061 18.448 -5.422 484 2HB GLU 77 1HB GLU 77 2.803 17.600 -6.779 485 1HG GLU 77 2HG GLU 77 0.198 19.111 -7.049 486 2HG GLU 77 1HG GLU 77 1.766 19.875 -7.314 487 H GLY 78 H GLY 78 2.489 14.988 -7.068 488 1HA GLY 78 2HA GLY 78 1.627 13.198 -8.630 489 2HA GLY 78 1HA GLY 78 0.771 14.494 -9.466 490 H THR 79 H THR 79 4.102 14.536 -8.200 491 HA THR 79 HA THR 79 5.092 14.702 -11.020 492 HB THR 79 HB THR 79 5.573 16.562 -8.686 493 HG1 THR 79 HG1 THR 79 4.446 17.906 -9.859 494 1HG2 THR 79 1HG2 THR 79 7.184 17.721 -10.228 495 2HG2 THR 79 2HG2 THR 79 7.086 16.321 -11.296 496 3HG2 THR 79 3HG2 THR 79 7.742 16.144 -9.668 497 HA PRO 80 HA PRO 80 7.914 11.740 -9.251 498 1HB PRO 80 2HB PRO 80 9.378 11.325 -11.518 499 2HB PRO 80 1HB PRO 80 7.778 10.602 -11.252 500 1HG PRO 80 2HG PRO 80 8.536 12.974 -12.880 501 2HG PRO 80 1HG PRO 80 7.323 11.723 -13.200 502 1HD PRO 80 2HD PRO 80 6.716 14.224 -12.256 503 2HD PRO 80 1HD PRO 80 5.713 12.786 -11.966 504 H VAL 81 H VAL 81 9.576 12.451 -7.957 505 HA VAL 81 HA VAL 81 11.690 14.165 -9.178 506 HB VAL 81 HB VAL 81 10.058 15.633 -8.094 507 1HG1 VAL 81 1HG1 VAL 81 9.149 13.868 -6.565 508 2HG1 VAL 81 2HG1 VAL 81 9.506 15.382 -5.734 509 3HG1 VAL 81 3HG1 VAL 81 10.610 14.015 -5.588 510 1HG2 VAL 81 1HG2 VAL 81 12.639 15.222 -6.557 511 2HG2 VAL 81 2HG2 VAL 81 11.578 16.610 -6.315 512 3HG2 VAL 81 3HG2 VAL 81 12.350 16.353 -7.879 513 H GLY 82 H GLY 82 10.675 12.287 -6.329 514 1HA GLY 82 2HA GLY 82 13.491 11.855 -5.572 515 2HA GLY 82 1HA GLY 82 12.085 11.337 -4.644 516 H SER 83 H SER 83 14.354 9.677 -5.358 517 HA SER 83 HA SER 83 13.336 7.862 -7.472 518 1HB SER 83 2HB SER 83 15.540 6.752 -7.012 519 2HB SER 83 1HB SER 83 15.699 8.457 -7.422 520 HG SER 83 HG SER 83 16.096 8.928 -5.332 521 H VAL 84 H VAL 84 12.870 5.613 -7.010 522 HA VAL 84 HA VAL 84 12.595 4.886 -4.126 523 HB VAL 84 HB VAL 84 10.487 5.109 -6.264 524 1HG1 VAL 84 1HG1 VAL 84 10.554 3.179 -3.941 525 2HG1 VAL 84 2HG1 VAL 84 10.100 2.867 -5.618 526 3HG1 VAL 84 3HG1 VAL 84 9.026 3.795 -4.572 527 1HG2 VAL 84 1HG2 VAL 84 11.067 6.792 -4.331 528 2HG2 VAL 84 2HG2 VAL 84 10.180 5.647 -3.324 529 3HG2 VAL 84 3HG2 VAL 84 9.379 6.429 -4.688 530 H ASP 85 H ASP 85 12.440 2.561 -3.804 531 HA ASP 85 HA ASP 85 12.964 0.837 -6.172 532 1HB ASP 85 2HB ASP 85 14.754 1.150 -3.738 533 2HB ASP 85 1HB ASP 85 14.956 -0.100 -4.966 534 H CYS 86 H CYS 86 12.386 -1.358 -5.772 535 HA CYS 86 HA CYS 86 10.891 -1.802 -3.208 536 1HB CYS 86 2HB CYS 86 10.550 -2.793 -6.054 537 2HB CYS 86 1HB CYS 86 9.667 -3.492 -4.696 538 H ALA 87 H ALA 87 13.563 -2.815 -5.126 539 HA ALA 87 HA ALA 87 13.723 -5.600 -4.508 540 1HB ALA 87 1HB ALA 87 16.274 -4.187 -4.654 541 2HB ALA 87 2HB ALA 87 15.150 -3.647 -5.900 542 3HB ALA 87 3HB ALA 87 15.582 -5.353 -5.781 543 H THR 88 H THR 88 15.459 -2.870 -2.936 544 HA THR 88 HA THR 88 15.952 -4.628 -0.576 545 HB THR 88 HB THR 88 17.882 -3.553 -1.565 546 HG1 THR 88 HG1 THR 88 18.298 -3.414 0.502 547 1HG2 THR 88 1HG2 THR 88 15.997 -1.356 -1.857 548 2HG2 THR 88 2HG2 THR 88 17.508 -1.653 -2.715 549 3HG2 THR 88 3HG2 THR 88 17.524 -0.817 -1.163 550 H ALA 89 H ALA 89 13.896 -2.072 -1.588 551 HA ALA 89 HA ALA 89 13.479 -1.018 1.141 552 1HB ALA 89 1HB ALA 89 11.732 -0.275 -1.146 553 2HB ALA 89 2HB ALA 89 13.448 0.099 -1.321 554 3HB ALA 89 3HB ALA 89 12.535 0.762 0.034 555 H ALA 90 H ALA 90 10.577 -0.556 0.347 556 HA ALA 90 HA ALA 90 9.373 -3.242 0.345 557 1HB ALA 90 1HB ALA 90 8.608 -3.198 2.576 558 2HB ALA 90 2HB ALA 90 8.910 -1.469 2.735 559 3HB ALA 90 3HB ALA 90 10.261 -2.599 2.700 560 H CYS 91 H CYS 91 8.387 -2.150 -1.559 561 HA CYS 91 HA CYS 91 6.515 0.054 -0.899 562 1HB CYS 91 2HB CYS 91 6.339 0.201 -3.366 563 2HB CYS 91 1HB CYS 91 8.025 0.227 -2.843 564 H ASN 92 H ASN 92 4.275 -0.128 -1.814 565 HA ASN 92 HA ASN 92 3.286 -2.932 -2.050 566 1HB ASN 92 2HB ASN 92 1.982 -0.847 -0.289 567 2HB ASN 92 1HB ASN 92 1.705 -2.588 -0.296 568 1HD2 ASN 92 1HD2 ASN 92 2.740 -3.652 1.393 569 2HD2 ASN 92 2HD2 ASN 92 4.173 -3.135 2.143 570 H LEU 93 H LEU 93 0.971 -2.925 -2.854 571 HA LEU 93 HA LEU 93 0.488 -0.572 -4.646 572 1HB LEU 93 2HB LEU 93 1.083 -2.601 -5.836 573 2HB LEU 93 1HB LEU 93 -0.086 -3.536 -4.903 574 HG LEU 93 HG LEU 93 -1.773 -1.717 -5.866 575 1HD1 LEU 93 1HD1 LEU 93 -1.130 -0.649 -7.794 576 2HD1 LEU 93 2HD1 LEU 93 -0.054 -1.958 -8.284 577 3HD1 LEU 93 3HD1 LEU 93 0.466 -0.798 -7.059 578 1HD2 LEU 93 1HD2 LEU 93 -0.686 -4.036 -7.499 579 2HD2 LEU 93 2HD2 LEU 93 -2.277 -3.298 -7.687 580 3HD2 LEU 93 3HD2 LEU 93 -1.879 -4.173 -6.208 581 H GLY 94 H GLY 94 -1.391 0.535 -4.199 582 1HA GLY 94 2HA GLY 94 -3.482 -0.907 -2.611 583 2HA GLY 94 1HA GLY 94 -3.139 0.810 -2.411 584 H ALA 95 H ALA 95 -5.712 -0.275 -3.081 585 HA ALA 95 HA ALA 95 -6.112 1.101 -5.712 586 1HB ALA 95 1HB ALA 95 -6.338 -0.974 -6.609 587 2HB ALA 95 2HB ALA 95 -7.870 -1.048 -5.741 588 3HB ALA 95 3HB ALA 95 -6.414 -1.734 -5.020 589 H GLY 96 H GLY 96 -8.040 2.295 -5.754 590 1HA GLY 96 2HA GLY 96 -10.476 2.130 -4.766 591 2HA GLY 96 1HA GLY 96 -9.623 2.298 -3.231 592 H ASN 97 H ASN 97 -11.517 4.204 -4.034 593 HA ASN 97 HA ASN 97 -9.788 6.563 -4.647 594 1HB ASN 97 2HB ASN 97 -11.654 7.462 -5.890 595 2HB ASN 97 1HB ASN 97 -11.422 5.797 -6.425 596 1HD2 ASN 97 1HD2 ASN 97 -13.709 7.987 -5.066 597 2HD2 ASN 97 2HD2 ASN 97 -14.910 6.847 -4.689 598 H SER 98 H SER 98 -11.887 8.455 -4.114 599 HA SER 98 HA SER 98 -11.836 8.415 -1.164 600 1HB SER 98 2HB SER 98 -11.232 10.383 -2.637 601 2HB SER 98 1HB SER 98 -12.930 10.480 -3.093 602 HG SER 98 HG SER 98 -11.837 10.675 -0.473 603 H GLY 99 H GLY 99 -13.594 6.474 -2.481 604 1HA GLY 99 2HA GLY 99 -16.166 7.392 -1.300 605 2HA GLY 99 1HA GLY 99 -16.175 6.772 -2.951 606 H LEU 100 H LEU 100 -14.498 4.620 -2.844 607 HA LEU 100 HA LEU 100 -15.556 2.906 -0.627 608 1HB LEU 100 2HB LEU 100 -16.459 2.932 -3.248 609 2HB LEU 100 1HB LEU 100 -15.297 1.605 -3.242 610 HG LEU 100 HG LEU 100 -17.419 1.891 -1.112 611 1HD1 LEU 100 1HD1 LEU 100 -18.877 0.498 -2.353 612 2HD1 LEU 100 2HD1 LEU 100 -17.616 0.064 -3.507 613 3HD1 LEU 100 3HD1 LEU 100 -18.310 1.687 -3.527 614 1HD2 LEU 100 1HD2 LEU 100 -15.566 0.434 -0.530 615 2HD2 LEU 100 2HD2 LEU 100 -15.660 -0.377 -2.093 616 3HD2 LEU 100 3HD2 LEU 100 -16.959 -0.576 -0.915 617 H ASP 101 H ASP 101 -13.403 2.994 0.325 618 HA ASP 101 HA ASP 101 -10.971 2.449 -1.048 619 1HB ASP 101 2HB ASP 101 -11.276 3.371 1.262 620 2HB ASP 101 1HB ASP 101 -11.773 1.766 1.797 621 H LEU 102 H LEU 102 -9.726 0.414 -1.043 622 HA LEU 102 HA LEU 102 -11.483 -2.018 -0.964 623 1HB LEU 102 2HB LEU 102 -9.220 -1.207 -2.805 624 2HB LEU 102 1HB LEU 102 -9.951 -2.811 -2.812 625 HG LEU 102 HG LEU 102 -11.544 -0.263 -3.168 626 1HD1 LEU 102 1HD1 LEU 102 -9.719 -1.422 -4.986 627 2HD1 LEU 102 2HD1 LEU 102 -10.936 -0.195 -5.336 628 3HD1 LEU 102 3HD1 LEU 102 -11.323 -1.904 -5.538 629 1HD2 LEU 102 1HD2 LEU 102 -12.137 -3.199 -3.658 630 2HD2 LEU 102 2HD2 LEU 102 -13.224 -1.873 -4.070 631 3HD2 LEU 102 3HD2 LEU 102 -12.826 -2.194 -2.383 632 H GLY 103 H GLY 103 -7.998 -1.867 -1.494 633 1HA GLY 103 2HA GLY 103 -7.303 -2.548 1.237 634 2HA GLY 103 1HA GLY 103 -7.298 -3.964 0.187 635 H HIS 104 H HIS 104 -4.927 -3.641 1.076 636 HA HIS 104 HA HIS 104 -3.394 -2.306 -1.110 637 1HB HIS 104 2HB HIS 104 -3.232 -1.938 1.877 638 2HB HIS 104 1HB HIS 104 -1.815 -1.650 0.868 639 HD1 HIS 104 HD1 HIS 104 -1.702 0.560 -0.331 640 HD2 HIS 104 HD2 HIS 104 -5.534 -0.251 1.096 641 HE1 HIS 104 HE1 HIS 104 -3.078 2.648 -0.742 642 H VAL 105 H VAL 105 -2.304 -4.027 -2.025 643 HA VAL 105 HA VAL 105 -1.548 -6.358 -0.383 644 HB VAL 105 HB VAL 105 -1.499 -5.595 -3.304 645 1HG1 VAL 105 1HG1 VAL 105 -0.642 -7.963 -3.679 646 2HG1 VAL 105 2HG1 VAL 105 -0.221 -7.995 -1.967 647 3HG1 VAL 105 3HG1 VAL 105 0.546 -6.827 -3.042 648 1HG2 VAL 105 1HG2 VAL 105 -3.633 -6.367 -2.628 649 2HG2 VAL 105 2HG2 VAL 105 -2.948 -7.599 -1.570 650 3HG2 VAL 105 3HG2 VAL 105 -2.869 -7.798 -3.322 651 H ALA 106 H ALA 106 0.740 -7.141 -0.446 652 HA ALA 106 HA ALA 106 2.653 -4.840 -0.415 653 1HB ALA 106 1HB ALA 106 3.983 -6.651 0.911 654 2HB ALA 106 2HB ALA 106 2.445 -7.514 0.960 655 3HB ALA 106 3HB ALA 106 2.582 -5.912 1.684 656 H LEU 107 H LEU 107 4.344 -4.822 -1.877 657 HA LEU 107 HA LEU 107 4.583 -7.167 -3.718 658 1HB LEU 107 2HB LEU 107 5.563 -4.310 -3.981 659 2HB LEU 107 1HB LEU 107 5.526 -5.524 -5.259 660 HG LEU 107 HG LEU 107 3.117 -4.375 -3.821 661 1HD1 LEU 107 1HD1 LEU 107 2.733 -3.851 -6.432 662 2HD1 LEU 107 2HD1 LEU 107 4.496 -3.832 -6.403 663 3HD1 LEU 107 3HD1 LEU 107 3.585 -2.738 -5.362 664 1HD2 LEU 107 1HD2 LEU 107 2.838 -6.765 -4.414 665 2HD2 LEU 107 2HD2 LEU 107 3.302 -6.400 -6.076 666 3HD2 LEU 107 3HD2 LEU 107 1.811 -5.735 -5.410 667 H THR 108 H THR 108 6.634 -8.092 -4.101 668 HA THR 108 HA THR 108 8.961 -7.046 -2.559 669 HB THR 108 HB THR 108 8.333 -9.974 -2.468 670 HG1 THR 108 HG1 THR 108 6.522 -9.576 -1.514 671 1HG2 THR 108 1HG2 THR 108 9.109 -8.940 0.026 672 2HG2 THR 108 2HG2 THR 108 10.077 -8.070 -1.164 673 3HG2 THR 108 3HG2 THR 108 10.118 -9.832 -1.112 674 H PHE 109 H PHE 109 11.012 -8.010 -3.349 675 HA PHE 109 HA PHE 109 10.752 -9.255 -6.067 676 1HB PHE 109 2HB PHE 109 12.370 -6.936 -5.033 677 2HB PHE 109 1HB PHE 109 12.920 -7.841 -6.445 678 HD1 PHE 109 HD1 PHE 109 11.618 -7.862 -8.524 679 HD2 PHE 109 HD2 PHE 109 10.335 -5.595 -5.109 680 HE1 PHE 109 HE1 PHE 109 10.010 -6.625 -9.949 681 HE2 PHE 109 HE2 PHE 109 8.726 -4.357 -6.535 682 HZ PHE 109 HZ PHE 109 8.564 -4.874 -8.955 683 H GLY 110 H GLY 110 12.560 -10.642 -6.662 684 1HA GLY 110 2HA GLY 110 14.229 -11.516 -4.336 685 2HA GLY 110 1HA GLY 110 13.494 -12.678 -5.441 Start of MODEL 21 1 1H ALA 1 1H ALA 1 -19.431 -5.744 0.163 2 2H ALA 1 2H ALA 1 -18.899 -4.226 0.707 3 3H ALA 1 3H ALA 1 -19.597 -5.322 1.800 4 HA ALA 1 HA ALA 1 -16.995 -5.053 1.649 5 1HB ALA 1 1HB ALA 1 -18.423 -6.479 3.124 6 2HB ALA 1 2HB ALA 1 -16.952 -7.304 2.610 7 3HB ALA 1 3HB ALA 1 -18.492 -7.685 1.838 8 HA PRO 2 HA PRO 2 -16.361 -6.527 -2.624 9 1HB PRO 2 2HB PRO 2 -14.208 -4.918 -3.119 10 2HB PRO 2 1HB PRO 2 -15.890 -4.375 -3.312 11 1HG PRO 2 2HG PRO 2 -13.976 -3.855 -1.092 12 2HG PRO 2 1HG PRO 2 -15.198 -2.791 -1.804 13 1HD PRO 2 2HD PRO 2 -15.522 -4.129 0.574 14 2HD PRO 2 1HD PRO 2 -16.865 -3.599 -0.462 15 H ALA 3 H ALA 3 -13.751 -6.851 -3.517 16 HA ALA 3 HA ALA 3 -12.179 -8.121 -1.341 17 1HB ALA 3 1HB ALA 3 -12.406 -10.302 -2.192 18 2HB ALA 3 2HB ALA 3 -12.942 -9.726 -3.770 19 3HB ALA 3 3HB ALA 3 -14.029 -9.641 -2.385 20 H PHE 4 H PHE 4 -10.234 -7.103 -1.765 21 HA PHE 4 HA PHE 4 -9.303 -6.926 -4.609 22 1HB PHE 4 2HB PHE 4 -9.536 -4.836 -3.284 23 2HB PHE 4 1HB PHE 4 -8.434 -5.493 -2.075 24 HD1 PHE 4 HD1 PHE 4 -8.724 -4.178 -5.507 25 HD2 PHE 4 HD2 PHE 4 -6.047 -5.705 -2.514 26 HE1 PHE 4 HE1 PHE 4 -6.786 -3.354 -6.820 27 HE2 PHE 4 HE2 PHE 4 -4.109 -4.883 -3.826 28 HZ PHE 4 HZ PHE 4 -4.478 -3.706 -5.979 29 H SER 5 H SER 5 -7.899 -8.612 -5.114 30 HA SER 5 HA SER 5 -5.772 -9.258 -3.124 31 1HB SER 5 2HB SER 5 -7.883 -11.084 -4.243 32 2HB SER 5 1HB SER 5 -6.341 -11.732 -3.695 33 HG SER 5 HG SER 5 -8.289 -11.403 -2.170 34 H VAL 6 H VAL 6 -3.896 -10.193 -4.074 35 HA VAL 6 HA VAL 6 -3.796 -10.037 -7.069 36 HB VAL 6 HB VAL 6 -2.524 -8.361 -5.620 37 1HG1 VAL 6 1HG1 VAL 6 -1.923 -10.288 -3.971 38 2HG1 VAL 6 2HG1 VAL 6 -0.695 -9.069 -4.317 39 3HG1 VAL 6 3HG1 VAL 6 -0.623 -10.643 -5.109 40 1HG2 VAL 6 1HG2 VAL 6 -1.086 -8.184 -7.358 41 2HG2 VAL 6 2HG2 VAL 6 -1.812 -9.665 -7.980 42 3HG2 VAL 6 3HG2 VAL 6 -0.351 -9.745 -6.998 43 H SER 7 H SER 7 -2.561 -11.729 -8.135 44 HA SER 7 HA SER 7 -2.642 -14.302 -6.766 45 1HB SER 7 2HB SER 7 -2.291 -13.210 -9.451 46 2HB SER 7 1HB SER 7 -1.249 -14.598 -9.155 47 HG SER 7 HG SER 7 -3.628 -14.821 -9.874 48 HA PRO 8 HA PRO 8 2.046 -14.043 -6.894 49 1HB PRO 8 2HB PRO 8 3.331 -12.057 -8.238 50 2HB PRO 8 1HB PRO 8 2.741 -13.530 -9.032 51 1HG PRO 8 2HG PRO 8 1.674 -10.789 -9.140 52 2HG PRO 8 1HG PRO 8 1.507 -12.113 -10.298 53 1HD PRO 8 2HD PRO 8 -0.418 -11.241 -8.395 54 2HD PRO 8 1HD PRO 8 -0.508 -12.654 -9.458 55 H ALA 9 H ALA 9 0.994 -13.073 -4.748 56 HA ALA 9 HA ALA 9 1.443 -10.304 -4.084 57 1HB ALA 9 1HB ALA 9 0.631 -12.834 -2.815 58 2HB ALA 9 2HB ALA 9 0.013 -11.203 -2.552 59 3HB ALA 9 3HB ALA 9 1.472 -11.740 -1.719 60 H SER 10 H SER 10 3.508 -13.082 -4.247 61 HA SER 10 HA SER 10 5.782 -11.432 -3.231 62 1HB SER 10 2HB SER 10 6.484 -13.353 -1.836 63 2HB SER 10 1HB SER 10 4.880 -12.789 -1.372 64 HG SER 10 HG SER 10 5.246 -15.154 -1.734 65 H GLY 11 H GLY 11 7.511 -11.628 -4.608 66 1HA GLY 11 2HA GLY 11 9.081 -13.067 -5.846 67 2HA GLY 11 1HA GLY 11 7.716 -14.106 -6.261 68 H LEU 12 H LEU 12 8.097 -10.562 -6.454 69 HA LEU 12 HA LEU 12 7.235 -10.737 -9.314 70 1HB LEU 12 2HB LEU 12 7.229 -8.389 -7.395 71 2HB LEU 12 1HB LEU 12 6.399 -8.486 -8.949 72 HG LEU 12 HG LEU 12 5.594 -10.752 -7.427 73 1HD1 LEU 12 1HD1 LEU 12 4.706 -8.416 -5.859 74 2HD1 LEU 12 2HD1 LEU 12 6.406 -8.833 -5.647 75 3HD1 LEU 12 3HD1 LEU 12 5.156 -10.032 -5.315 76 1HD2 LEU 12 1HD2 LEU 12 3.401 -9.254 -7.437 77 2HD2 LEU 12 2HD2 LEU 12 4.028 -9.934 -8.937 78 3HD2 LEU 12 3HD2 LEU 12 4.358 -8.251 -8.527 79 H SER 13 H SER 13 8.205 -8.857 -10.666 80 HA SER 13 HA SER 13 10.951 -8.105 -9.838 81 1HB SER 13 2HB SER 13 10.960 -10.340 -10.992 82 2HB SER 13 1HB SER 13 10.289 -9.552 -12.417 83 HG SER 13 HG SER 13 12.810 -9.207 -11.186 84 H ASP 14 H ASP 14 11.884 -6.479 -11.389 85 HA ASP 14 HA ASP 14 10.009 -4.415 -12.051 86 1HB ASP 14 2HB ASP 14 12.339 -3.983 -11.507 87 2HB ASP 14 1HB ASP 14 12.876 -4.969 -12.868 88 H GLY 15 H GLY 15 8.668 -4.340 -13.805 89 1HA GLY 15 2HA GLY 15 8.229 -4.363 -16.170 90 2HA GLY 15 1HA GLY 15 9.603 -5.449 -16.378 91 H GLN 16 H GLN 16 8.752 -7.187 -14.153 92 HA GLN 16 HA GLN 16 7.239 -9.114 -15.582 93 1HB GLN 16 2HB GLN 16 8.679 -9.529 -13.612 94 2HB GLN 16 1HB GLN 16 7.525 -8.664 -12.595 95 1HG GLN 16 2HG GLN 16 5.798 -10.301 -13.055 96 2HG GLN 16 1HG GLN 16 6.824 -11.110 -14.239 97 1HE2 GLN 16 1HE2 GLN 16 5.691 -11.671 -11.265 98 2HE2 GLN 16 2HE2 GLN 16 7.026 -12.429 -10.542 99 H SER 17 H SER 17 5.013 -9.632 -15.548 100 HA SER 17 HA SER 17 3.200 -7.398 -14.862 101 1HB SER 17 2HB SER 17 1.641 -8.643 -16.223 102 2HB SER 17 1HB SER 17 3.203 -8.706 -17.033 103 HG SER 17 HG SER 17 2.817 -10.787 -16.957 104 H VAL 18 H VAL 18 0.960 -8.308 -14.007 105 HA VAL 18 HA VAL 18 1.296 -10.382 -11.920 106 HB VAL 18 HB VAL 18 0.325 -8.645 -10.277 107 1HG1 VAL 18 1HG1 VAL 18 2.872 -9.405 -10.808 108 2HG1 VAL 18 2HG1 VAL 18 2.453 -8.257 -9.536 109 3HG1 VAL 18 3HG1 VAL 18 3.002 -7.672 -11.107 110 1HG2 VAL 18 1HG2 VAL 18 -0.226 -7.073 -12.257 111 2HG2 VAL 18 2HG2 VAL 18 1.490 -6.668 -12.252 112 3HG2 VAL 18 3HG2 VAL 18 0.500 -6.336 -10.829 113 H SER 19 H SER 19 -0.847 -10.995 -11.001 114 HA SER 19 HA SER 19 -3.066 -10.349 -12.908 115 1HB SER 19 2HB SER 19 -2.296 -12.760 -11.280 116 2HB SER 19 1HB SER 19 -3.930 -12.584 -11.912 117 HG SER 19 HG SER 19 -1.541 -12.429 -13.453 118 H VAL 20 H VAL 20 -4.552 -8.995 -12.023 119 HA VAL 20 HA VAL 20 -4.916 -9.016 -9.059 120 HB VAL 20 HB VAL 20 -5.283 -6.964 -11.241 121 1HG1 VAL 20 1HG1 VAL 20 -7.260 -6.725 -9.881 122 2HG1 VAL 20 2HG1 VAL 20 -6.133 -5.471 -9.365 123 3HG1 VAL 20 3HG1 VAL 20 -6.333 -6.930 -8.395 124 1HG2 VAL 20 1HG2 VAL 20 -3.131 -7.557 -9.711 125 2HG2 VAL 20 2HG2 VAL 20 -3.950 -6.415 -8.645 126 3HG2 VAL 20 3HG2 VAL 20 -3.487 -5.925 -10.273 127 H SER 21 H SER 21 -7.018 -9.155 -8.229 128 HA SER 21 HA SER 21 -9.246 -9.597 -10.170 129 1HB SER 21 2HB SER 21 -8.308 -11.783 -9.699 130 2HB SER 21 1HB SER 21 -8.276 -11.455 -7.971 131 HG SER 21 HG SER 21 -10.111 -12.605 -8.313 132 H VAL 22 H VAL 22 -11.047 -8.498 -9.462 133 HA VAL 22 HA VAL 22 -11.196 -7.745 -6.559 134 HB VAL 22 HB VAL 22 -11.851 -6.327 -9.142 135 1HG1 VAL 22 1HG1 VAL 22 -13.744 -5.531 -8.173 136 2HG1 VAL 22 2HG1 VAL 22 -12.660 -4.596 -7.142 137 3HG1 VAL 22 3HG1 VAL 22 -13.289 -6.147 -6.583 138 1HG2 VAL 22 1HG2 VAL 22 -10.399 -4.643 -8.282 139 2HG2 VAL 22 2HG2 VAL 22 -9.605 -6.172 -7.904 140 3HG2 VAL 22 3HG2 VAL 22 -10.484 -5.302 -6.647 141 H SER 23 H SER 23 -12.693 -9.175 -5.688 142 HA SER 23 HA SER 23 -15.201 -9.695 -7.245 143 1HB SER 23 2HB SER 23 -15.173 -11.580 -5.324 144 2HB SER 23 1HB SER 23 -14.304 -11.780 -6.842 145 HG SER 23 HG SER 23 -12.453 -11.453 -5.832 146 H GLY 24 H GLY 24 -17.183 -9.218 -6.276 147 1HA GLY 24 2HA GLY 24 -18.418 -8.980 -4.076 148 2HA GLY 24 1HA GLY 24 -17.068 -7.970 -3.561 149 H ALA 25 H ALA 25 -16.673 -5.980 -4.959 150 HA ALA 25 HA ALA 25 -18.959 -4.321 -5.095 151 1HB ALA 25 1HB ALA 25 -16.161 -4.334 -6.078 152 2HB ALA 25 2HB ALA 25 -17.018 -3.100 -5.156 153 3HB ALA 25 3HB ALA 25 -17.246 -3.215 -6.901 154 H ALA 26 H ALA 26 -20.388 -3.784 -6.825 155 HA ALA 26 HA ALA 26 -20.213 -5.565 -9.240 156 1HB ALA 26 1HB ALA 26 -22.340 -6.158 -8.778 157 2HB ALA 26 2HB ALA 26 -22.834 -4.468 -8.671 158 3HB ALA 26 3HB ALA 26 -22.177 -5.289 -7.253 159 H ALA 27 H ALA 27 -21.000 -4.670 -11.244 160 HA ALA 27 HA ALA 27 -20.010 -2.350 -12.220 161 1HB ALA 27 1HB ALA 27 -22.335 -2.321 -13.529 162 2HB ALA 27 2HB ALA 27 -22.540 -3.860 -12.690 163 3HB ALA 27 3HB ALA 27 -21.165 -3.618 -13.767 164 H GLY 28 H GLY 28 -20.323 -0.186 -11.993 165 1HA GLY 28 2HA GLY 28 -22.013 1.649 -11.684 166 2HA GLY 28 1HA GLY 28 -22.615 0.710 -10.321 167 H GLU 29 H GLU 29 -19.331 0.282 -10.375 168 HA GLU 29 HA GLU 29 -18.791 2.709 -8.723 169 1HB GLU 29 2HB GLU 29 -18.505 -0.215 -8.033 170 2HB GLU 29 1HB GLU 29 -17.566 1.021 -7.196 171 1HG GLU 29 2HG GLU 29 -19.350 1.242 -5.826 172 2HG GLU 29 1HG GLU 29 -20.128 2.072 -7.174 173 H THR 30 H THR 30 -16.887 3.628 -9.324 174 HA THR 30 HA THR 30 -15.001 2.024 -11.005 175 HB THR 30 HB THR 30 -15.460 5.009 -10.647 176 HG1 THR 30 HG1 THR 30 -16.967 4.601 -12.029 177 1HG2 THR 30 1HG2 THR 30 -14.044 4.895 -12.888 178 2HG2 THR 30 2HG2 THR 30 -13.425 3.422 -12.149 179 3HG2 THR 30 3HG2 THR 30 -13.248 4.962 -11.317 180 H TYR 31 H TYR 31 -12.774 1.986 -10.412 181 HA TYR 31 HA TYR 31 -12.050 3.267 -7.803 182 1HB TYR 31 2HB TYR 31 -11.269 0.497 -8.744 183 2HB TYR 31 1HB TYR 31 -11.027 1.184 -7.139 184 HD1 TYR 31 HD1 TYR 31 -13.556 2.483 -6.551 185 HD2 TYR 31 HD2 TYR 31 -12.808 -1.257 -8.526 186 HE1 TYR 31 HE1 TYR 31 -15.787 1.662 -5.838 187 HE2 TYR 31 HE2 TYR 31 -15.040 -2.079 -7.814 188 HH TYR 31 HH TYR 31 -16.973 -0.378 -5.499 189 H TYR 32 H TYR 32 -9.596 3.289 -7.525 190 HA TYR 32 HA TYR 32 -8.187 3.545 -10.162 191 1HB TYR 32 2HB TYR 32 -8.200 5.341 -7.718 192 2HB TYR 32 1HB TYR 32 -7.024 5.502 -9.022 193 HD1 TYR 32 HD1 TYR 32 -10.734 5.197 -8.529 194 HD2 TYR 32 HD2 TYR 32 -7.522 6.928 -10.797 195 HE1 TYR 32 HE1 TYR 32 -12.375 6.504 -9.854 196 HE2 TYR 32 HE2 TYR 32 -9.162 8.235 -12.121 197 HH TYR 32 HH TYR 32 -11.776 9.085 -11.491 198 H ILE 33 H ILE 33 -6.804 1.772 -10.078 199 HA ILE 33 HA ILE 33 -5.544 0.982 -7.521 200 HB ILE 33 HB ILE 33 -6.530 -0.584 -9.255 201 1HG1 ILE 33 2HG1 ILE 33 -3.572 -1.076 -8.871 202 2HG1 ILE 33 1HG1 ILE 33 -4.700 -1.143 -7.517 203 1HG2 ILE 33 1HG2 ILE 33 -5.121 -1.046 -11.238 204 2HG2 ILE 33 2HG2 ILE 33 -4.050 0.278 -10.779 205 3HG2 ILE 33 3HG2 ILE 33 -5.717 0.614 -11.246 206 1HD1 ILE 33 1HD1 ILE 33 -5.009 -3.305 -8.121 207 2HD1 ILE 33 2HD1 ILE 33 -4.310 -3.048 -9.721 208 3HD1 ILE 33 3HD1 ILE 33 -6.001 -2.644 -9.421 209 H ALA 34 H ALA 34 -3.413 1.401 -6.999 210 HA ALA 34 HA ALA 34 -1.508 2.297 -9.085 211 1HB ALA 34 1HB ALA 34 -1.254 4.455 -8.210 212 2HB ALA 34 2HB ALA 34 -1.888 3.992 -6.631 213 3HB ALA 34 3HB ALA 34 -2.985 4.194 -7.998 214 H GLN 35 H GLN 35 0.683 2.833 -7.852 215 HA GLN 35 HA GLN 35 1.037 0.957 -5.544 216 1HB GLN 35 2HB GLN 35 1.683 -0.190 -7.592 217 2HB GLN 35 1HB GLN 35 2.651 1.193 -8.102 218 1HG GLN 35 2HG GLN 35 4.171 0.880 -6.226 219 2HG GLN 35 1HG GLN 35 3.165 -0.423 -5.592 220 1HE2 GLN 35 1HE2 GLN 35 5.794 -1.094 -6.131 221 2HE2 GLN 35 2HE2 GLN 35 5.894 -2.042 -7.536 222 H CYS 36 H CYS 36 2.760 1.585 -4.101 223 HA CYS 36 HA CYS 36 4.246 4.077 -4.731 224 1HB CYS 36 2HB CYS 36 2.201 3.710 -2.535 225 2HB CYS 36 1HB CYS 36 3.397 5.006 -2.508 226 H ALA 37 H ALA 37 5.901 4.545 -3.070 227 HA ALA 37 HA ALA 37 6.587 2.401 -1.148 228 1HB ALA 37 1HB ALA 37 8.609 1.815 -2.242 229 2HB ALA 37 2HB ALA 37 8.569 3.253 -3.262 230 3HB ALA 37 3HB ALA 37 7.442 1.930 -3.557 231 HA PRO 38 HA PRO 38 8.193 5.967 0.915 232 1HB PRO 38 2HB PRO 38 9.838 4.766 2.729 233 2HB PRO 38 1HB PRO 38 8.069 4.727 2.856 234 1HG PRO 38 2HG PRO 38 9.942 2.615 1.939 235 2HG PRO 38 1HG PRO 38 8.413 2.467 2.817 236 1HD PRO 38 2HD PRO 38 8.738 2.007 0.102 237 2HD PRO 38 1HD PRO 38 7.190 2.365 0.899 238 H VAL 39 H VAL 39 10.436 6.962 1.535 239 HA VAL 39 HA VAL 39 12.596 5.942 -0.263 240 HB VAL 39 HB VAL 39 12.950 8.368 -0.924 241 1HG1 VAL 39 1HG1 VAL 39 10.593 8.305 -2.237 242 2HG1 VAL 39 2HG1 VAL 39 10.640 6.639 -1.661 243 3HG1 VAL 39 3HG1 VAL 39 11.947 7.261 -2.668 244 1HG2 VAL 39 1HG2 VAL 39 10.354 8.576 0.607 245 2HG2 VAL 39 2HG2 VAL 39 10.784 9.737 -0.647 246 3HG2 VAL 39 3HG2 VAL 39 11.806 9.562 0.778 247 H GLY 40 H GLY 40 12.793 5.407 2.321 248 1HA GLY 40 2HA GLY 40 14.269 5.621 4.125 249 2HA GLY 40 1HA GLY 40 15.151 6.807 3.167 250 H GLY 41 H GLY 41 11.739 7.346 3.838 251 1HA GLY 41 2HA GLY 41 11.519 8.569 6.220 252 2HA GLY 41 1HA GLY 41 12.539 9.730 5.388 253 H GLN 42 H GLN 42 11.527 10.066 2.961 254 HA GLN 42 HA GLN 42 8.856 11.215 3.495 255 1HB GLN 42 2HB GLN 42 11.095 11.571 1.605 256 2HB GLN 42 1HB GLN 42 9.500 11.799 0.888 257 1HG GLN 42 2HG GLN 42 10.093 13.083 3.535 258 2HG GLN 42 1HG GLN 42 10.727 13.826 2.064 259 1HE2 GLN 42 1HE2 GLN 42 7.972 13.655 4.056 260 2HE2 GLN 42 2HE2 GLN 42 6.847 14.311 2.967 261 H ASP 43 H ASP 43 7.713 11.105 0.978 262 HA ASP 43 HA ASP 43 7.261 8.169 0.586 263 1HB ASP 43 2HB ASP 43 4.903 8.896 0.074 264 2HB ASP 43 1HB ASP 43 5.404 9.241 1.731 265 H ALA 44 H ALA 44 6.720 7.540 -1.592 266 HA ALA 44 HA ALA 44 7.038 9.544 -3.757 267 1HB ALA 44 1HB ALA 44 9.283 8.994 -3.670 268 2HB ALA 44 2HB ALA 44 8.728 7.650 -4.667 269 3HB ALA 44 3HB ALA 44 8.969 7.422 -2.937 270 H CYS 45 H CYS 45 5.309 9.068 -5.093 271 HA CYS 45 HA CYS 45 4.411 6.210 -5.234 272 1HB CYS 45 2HB CYS 45 3.109 8.899 -5.413 273 2HB CYS 45 1HB CYS 45 2.353 7.545 -6.252 274 H ASN 46 H ASN 46 3.639 5.461 -7.369 275 HA ASN 46 HA ASN 46 5.226 6.668 -9.608 276 1HB ASN 46 2HB ASN 46 5.672 4.314 -8.714 277 2HB ASN 46 1HB ASN 46 4.091 3.872 -9.360 278 1HD2 ASN 46 1HD2 ASN 46 6.232 2.545 -10.472 279 2HD2 ASN 46 2HD2 ASN 46 6.561 3.132 -12.030 280 HA PRO 47 HA PRO 47 0.875 7.523 -10.724 281 1HB PRO 47 2HB PRO 47 1.473 9.706 -12.262 282 2HB PRO 47 1HB PRO 47 1.262 9.786 -10.501 283 1HG PRO 47 2HG PRO 47 3.776 9.690 -12.101 284 2HG PRO 47 1HG PRO 47 3.397 10.633 -10.650 285 1HD PRO 47 2HD PRO 47 4.881 8.353 -10.587 286 2HD PRO 47 1HD PRO 47 3.863 8.888 -9.229 287 H ALA 48 H ALA 48 3.712 6.722 -12.487 288 HA ALA 48 HA ALA 48 2.670 6.824 -15.172 289 1HB ALA 48 1HB ALA 48 4.582 4.876 -15.188 290 2HB ALA 48 2HB ALA 48 4.974 5.714 -13.685 291 3HB ALA 48 3HB ALA 48 4.945 6.601 -15.210 292 H THR 49 H THR 49 2.522 4.421 -12.595 293 HA THR 49 HA THR 49 1.213 2.461 -14.410 294 HB THR 49 HB THR 49 1.358 1.161 -12.121 295 HG1 THR 49 HG1 THR 49 1.920 2.711 -10.729 296 1HG2 THR 49 1HG2 THR 49 3.757 0.644 -12.617 297 2HG2 THR 49 2HG2 THR 49 3.763 1.985 -13.762 298 3HG2 THR 49 3HG2 THR 49 2.719 0.591 -14.041 299 H ALA 50 H ALA 50 0.161 5.101 -12.851 300 HA ALA 50 HA ALA 50 -2.033 4.121 -11.239 301 1HB ALA 50 1HB ALA 50 -1.934 6.309 -10.705 302 2HB ALA 50 2HB ALA 50 -2.534 6.719 -12.311 303 3HB ALA 50 3HB ALA 50 -0.799 6.582 -12.026 304 H THR 51 H THR 51 -3.627 2.893 -12.198 305 HA THR 51 HA THR 51 -4.810 3.910 -14.747 306 HB THR 51 HB THR 51 -3.537 1.969 -15.301 307 HG1 THR 51 HG1 THR 51 -5.256 1.300 -16.281 308 1HG2 THR 51 1HG2 THR 51 -4.327 1.165 -12.580 309 2HG2 THR 51 2HG2 THR 51 -2.856 0.797 -13.481 310 3HG2 THR 51 3HG2 THR 51 -4.318 -0.151 -13.754 311 H SER 52 H SER 52 -7.081 3.959 -14.769 312 HA SER 52 HA SER 52 -8.436 3.122 -12.231 313 1HB SER 52 2HB SER 52 -10.165 4.803 -13.156 314 2HB SER 52 1HB SER 52 -8.632 5.460 -12.594 315 HG SER 52 HG SER 52 -9.053 6.310 -14.611 316 H PHE 53 H PHE 53 -10.379 1.899 -12.380 317 HA PHE 53 HA PHE 53 -11.304 1.044 -15.077 318 1HB PHE 53 2HB PHE 53 -11.061 -1.332 -14.386 319 2HB PHE 53 1HB PHE 53 -9.507 -0.498 -14.407 320 HD1 PHE 53 HD1 PHE 53 -11.845 -2.354 -12.413 321 HD2 PHE 53 HD2 PHE 53 -8.645 0.502 -12.197 322 HE1 PHE 53 HE1 PHE 53 -11.517 -2.903 -10.019 323 HE2 PHE 53 HE2 PHE 53 -8.317 -0.048 -9.801 324 HZ PHE 53 HZ PHE 53 -9.754 -1.751 -8.713 325 H THR 54 H THR 54 -13.199 -0.709 -14.539 326 HA THR 54 HA THR 54 -14.755 0.262 -12.196 327 HB THR 54 HB THR 54 -15.825 -0.060 -15.010 328 HG1 THR 54 HG1 THR 54 -15.894 2.315 -14.799 329 1HG2 THR 54 1HG2 THR 54 -17.029 0.285 -12.417 330 2HG2 THR 54 2HG2 THR 54 -17.817 0.078 -13.980 331 3HG2 THR 54 3HG2 THR 54 -17.373 1.692 -13.424 332 H THR 55 H THR 55 -16.330 -1.293 -11.428 333 HA THR 55 HA THR 55 -15.578 -4.032 -11.572 334 HB THR 55 HB THR 55 -18.036 -4.283 -10.728 335 HG1 THR 55 HG1 THR 55 -18.828 -2.212 -10.067 336 1HG2 THR 55 1HG2 THR 55 -15.691 -2.976 -9.538 337 2HG2 THR 55 2HG2 THR 55 -16.679 -4.301 -8.920 338 3HG2 THR 55 3HG2 THR 55 -17.209 -2.632 -8.717 339 H ASP 56 H ASP 56 -18.021 -5.417 -12.165 340 HA ASP 56 HA ASP 56 -18.576 -4.774 -15.033 341 1HB ASP 56 2HB ASP 56 -17.263 -7.256 -13.916 342 2HB ASP 56 1HB ASP 56 -18.078 -7.267 -15.478 343 H ALA 57 H ALA 57 -19.923 -7.164 -15.644 344 HA ALA 57 HA ALA 57 -22.482 -6.750 -14.472 345 1HB ALA 57 1HB ALA 57 -21.644 -7.952 -16.659 346 2HB ALA 57 2HB ALA 57 -23.115 -8.526 -15.873 347 3HB ALA 57 3HB ALA 57 -21.592 -9.379 -15.624 348 H SER 58 H SER 58 -20.108 -9.334 -13.928 349 HA SER 58 HA SER 58 -21.601 -10.326 -11.600 350 1HB SER 58 2HB SER 58 -20.557 -12.123 -12.547 351 2HB SER 58 1HB SER 58 -19.386 -11.108 -13.377 352 HG SER 58 HG SER 58 -19.260 -12.360 -10.908 353 H GLY 59 H GLY 59 -19.975 -7.588 -11.953 354 1HA GLY 59 2HA GLY 59 -18.795 -6.164 -10.517 355 2HA GLY 59 1HA GLY 59 -19.351 -7.206 -9.208 356 H ALA 60 H ALA 60 -17.581 -8.711 -11.745 357 HA ALA 60 HA ALA 60 -15.273 -9.030 -9.883 358 1HB ALA 60 1HB ALA 60 -16.180 -11.131 -10.418 359 2HB ALA 60 2HB ALA 60 -14.856 -10.975 -11.573 360 3HB ALA 60 3HB ALA 60 -16.513 -10.659 -12.085 361 H ALA 61 H ALA 61 -13.718 -7.559 -10.386 362 HA ALA 61 HA ALA 61 -13.238 -6.847 -13.239 363 1HB ALA 61 1HB ALA 61 -13.595 -5.246 -11.161 364 2HB ALA 61 2HB ALA 61 -12.393 -4.840 -12.386 365 3HB ALA 61 3HB ALA 61 -11.889 -5.585 -10.869 366 H SER 62 H SER 62 -12.064 -8.752 -13.838 367 HA SER 62 HA SER 62 -9.537 -9.293 -12.351 368 1HB SER 62 2HB SER 62 -9.637 -11.374 -13.826 369 2HB SER 62 1HB SER 62 -10.942 -11.214 -12.655 370 HG SER 62 HG SER 62 -12.177 -11.375 -14.350 371 H PHE 63 H PHE 63 -7.815 -8.213 -13.188 372 HA PHE 63 HA PHE 63 -7.444 -8.238 -16.136 373 1HB PHE 63 2HB PHE 63 -6.974 -5.760 -16.040 374 2HB PHE 63 1HB PHE 63 -8.654 -6.181 -15.721 375 HD1 PHE 63 HD1 PHE 63 -5.707 -4.562 -14.461 376 HD2 PHE 63 HD2 PHE 63 -9.394 -6.421 -13.273 377 HE1 PHE 63 HE1 PHE 63 -5.565 -3.428 -12.258 378 HE2 PHE 63 HE2 PHE 63 -9.252 -5.290 -11.068 379 HZ PHE 63 HZ PHE 63 -7.336 -3.791 -10.559 380 H SER 64 H SER 64 -5.194 -7.312 -16.657 381 HA SER 64 HA SER 64 -3.281 -8.389 -14.653 382 1HB SER 64 2HB SER 64 -3.562 -8.797 -17.301 383 2HB SER 64 1HB SER 64 -2.450 -7.432 -17.348 384 HG SER 64 HG SER 64 -1.792 -9.889 -16.996 385 H PHE 65 H PHE 65 -1.397 -7.162 -14.079 386 HA PHE 65 HA PHE 65 -1.445 -4.237 -14.667 387 1HB PHE 65 2HB PHE 65 -2.664 -4.712 -12.560 388 2HB PHE 65 1HB PHE 65 -1.259 -5.578 -11.946 389 HD1 PHE 65 HD1 PHE 65 -2.394 -2.247 -13.179 390 HD2 PHE 65 HD2 PHE 65 0.505 -4.428 -10.880 391 HE1 PHE 65 HE1 PHE 65 -1.453 -0.115 -12.342 392 HE2 PHE 65 HE2 PHE 65 1.446 -2.293 -10.045 393 HZ PHE 65 HZ PHE 65 0.463 -0.143 -10.776 394 H VAL 66 H VAL 66 0.759 -3.309 -13.637 395 HA VAL 66 HA VAL 66 2.904 -5.375 -14.057 396 HB VAL 66 HB VAL 66 3.158 -2.479 -14.852 397 1HG1 VAL 66 1HG1 VAL 66 4.526 -5.081 -15.521 398 2HG1 VAL 66 2HG1 VAL 66 5.239 -3.583 -14.923 399 3HG1 VAL 66 3HG1 VAL 66 4.667 -3.683 -16.588 400 1HG2 VAL 66 1HG2 VAL 66 1.506 -4.578 -16.103 401 2HG2 VAL 66 2HG2 VAL 66 2.649 -3.813 -17.207 402 3HG2 VAL 66 3HG2 VAL 66 1.468 -2.832 -16.341 403 H VAL 67 H VAL 67 4.860 -4.983 -12.881 404 HA VAL 67 HA VAL 67 4.621 -2.964 -10.673 405 HB VAL 67 HB VAL 67 5.630 -4.724 -9.209 406 1HG1 VAL 67 1HG1 VAL 67 3.584 -6.252 -9.257 407 2HG1 VAL 67 2HG1 VAL 67 3.049 -5.340 -10.668 408 3HG1 VAL 67 3HG1 VAL 67 3.245 -4.527 -9.115 409 1HG2 VAL 67 1HG2 VAL 67 6.793 -6.032 -10.896 410 2HG2 VAL 67 2HG2 VAL 67 5.275 -6.403 -11.712 411 3HG2 VAL 67 3HG2 VAL 67 5.602 -7.070 -10.113 412 H ARG 68 H ARG 68 6.374 -1.617 -10.654 413 HA ARG 68 HA ARG 68 8.867 -2.538 -12.038 414 1HB ARG 68 2HB ARG 68 7.880 0.265 -11.427 415 2HB ARG 68 1HB ARG 68 9.215 -0.176 -12.493 416 1HG ARG 68 2HG ARG 68 7.406 -1.596 -13.744 417 2HG ARG 68 1HG ARG 68 6.263 -0.534 -12.922 418 1HD ARG 68 2HD ARG 68 6.716 1.166 -14.353 419 2HD ARG 68 1HD ARG 68 8.462 0.987 -14.087 420 HE ARG 68 HE ARG 68 8.505 -0.728 -15.829 421 1HH1 ARG 68 1HH1 ARG 68 5.327 -0.840 -15.132 422 2HH1 ARG 68 2HH1 ARG 68 4.734 -0.566 -16.737 423 1HH2 ARG 68 1HH2 ARG 68 7.823 0.375 -18.002 424 2HH2 ARG 68 2HH2 ARG 68 6.147 0.122 -18.362 425 H LYS 69 H LYS 69 10.430 -3.111 -10.582 426 HA LYS 69 HA LYS 69 10.419 -2.579 -7.803 427 1HB LYS 69 2HB LYS 69 11.779 -4.315 -8.748 428 2HB LYS 69 1HB LYS 69 12.592 -3.179 -9.824 429 1HG LYS 69 2HG LYS 69 13.805 -2.185 -8.049 430 2HG LYS 69 1HG LYS 69 12.746 -2.888 -6.825 431 1HD LYS 69 2HD LYS 69 14.635 -4.277 -6.716 432 2HD LYS 69 1HD LYS 69 13.557 -5.176 -7.785 433 1HE LYS 69 2HE LYS 69 14.742 -4.463 -9.745 434 2HE LYS 69 1HE LYS 69 15.645 -3.240 -8.830 435 1HZ LYS 69 1HZ LYS 69 16.819 -4.859 -7.665 436 2HZ LYS 69 2HZ LYS 69 16.786 -5.474 -9.249 437 3HZ LYS 69 3HZ LYS 69 15.731 -6.093 -8.070 438 H SER 70 H SER 70 12.413 -0.982 -10.319 439 HA SER 70 HA SER 70 12.884 1.287 -8.447 440 1HB SER 70 2HB SER 70 14.091 0.473 -11.102 441 2HB SER 70 1HB SER 70 14.629 1.847 -10.141 442 HG SER 70 HG SER 70 15.901 0.278 -9.409 443 H TYR 71 H TYR 71 11.821 3.207 -8.752 444 HA TYR 71 HA TYR 71 10.898 4.010 -11.444 445 1HB TYR 71 2HB TYR 71 8.571 4.030 -10.845 446 2HB TYR 71 1HB TYR 71 9.189 2.455 -10.347 447 HD1 TYR 71 HD1 TYR 71 7.960 5.721 -9.211 448 HD2 TYR 71 HD2 TYR 71 9.597 1.947 -7.975 449 HE1 TYR 71 HE1 TYR 71 7.282 6.192 -6.873 450 HE2 TYR 71 HE2 TYR 71 8.918 2.419 -5.638 451 HH TYR 71 HH TYR 71 6.725 4.496 -4.751 452 H THR 72 H THR 72 11.115 6.225 -11.592 453 HA THR 72 HA THR 72 12.200 7.844 -9.556 454 HB THR 72 HB THR 72 10.338 8.938 -11.642 455 HG1 THR 72 HG1 THR 72 12.318 8.616 -13.020 456 1HG2 THR 72 1HG2 THR 72 12.045 10.150 -9.956 457 2HG2 THR 72 2HG2 THR 72 11.717 10.768 -11.575 458 3HG2 THR 72 3HG2 THR 72 13.161 9.801 -11.277 459 H GLY 73 H GLY 73 11.307 8.913 -7.827 460 1HA GLY 73 2HA GLY 73 8.324 8.852 -7.576 461 2HA GLY 73 1HA GLY 73 9.420 8.734 -6.197 462 H SER 74 H SER 74 7.497 10.733 -6.174 463 HA SER 74 HA SER 74 9.131 13.106 -5.879 464 1HB SER 74 2HB SER 74 8.329 14.346 -7.785 465 2HB SER 74 1HB SER 74 8.905 12.794 -8.386 466 HG SER 74 HG SER 74 6.892 13.177 -9.260 467 H THR 75 H THR 75 7.925 12.912 -3.819 468 HA THR 75 HA THR 75 6.043 13.165 -2.409 469 HB THR 75 HB THR 75 5.472 15.491 -2.574 470 HG1 THR 75 HG1 THR 75 5.026 15.206 -4.955 471 1HG2 THR 75 1HG2 THR 75 8.053 15.878 -3.831 472 2HG2 THR 75 2HG2 THR 75 8.079 14.531 -2.689 473 3HG2 THR 75 3HG2 THR 75 7.578 16.135 -2.152 474 HA PRO 76 HA PRO 76 2.075 12.339 -4.285 475 1HB PRO 76 2HB PRO 76 0.418 14.484 -4.637 476 2HB PRO 76 1HB PRO 76 0.744 13.754 -3.053 477 1HG PRO 76 2HG PRO 76 1.847 16.229 -4.259 478 2HG PRO 76 1HG PRO 76 1.433 15.878 -2.574 479 1HD PRO 76 2HD PRO 76 3.978 15.871 -3.573 480 2HD PRO 76 1HD PRO 76 3.482 14.970 -2.131 481 H GLU 77 H GLU 77 2.859 15.457 -5.899 482 HA GLU 77 HA GLU 77 3.420 14.276 -8.444 483 1HB GLU 77 2HB GLU 77 0.960 13.734 -8.140 484 2HB GLU 77 1HB GLU 77 0.643 15.466 -8.184 485 1HG GLU 77 2HG GLU 77 0.996 15.603 -10.431 486 2HG GLU 77 1HG GLU 77 2.337 14.457 -10.386 487 H GLY 78 H GLY 78 5.021 16.056 -7.856 488 1HA GLY 78 2HA GLY 78 4.768 18.310 -9.475 489 2HA GLY 78 1HA GLY 78 4.124 18.812 -7.915 490 H THR 79 H THR 79 6.271 16.740 -6.765 491 HA THR 79 HA THR 79 8.633 18.537 -7.153 492 HB THR 79 HB THR 79 7.453 17.507 -4.559 493 HG1 THR 79 HG1 THR 79 6.529 19.384 -4.470 494 1HG2 THR 79 1HG2 THR 79 9.401 18.008 -3.552 495 2HG2 THR 79 2HG2 THR 79 9.467 19.581 -4.347 496 3HG2 THR 79 3HG2 THR 79 10.115 18.155 -5.157 497 HA PRO 80 HA PRO 80 10.216 14.346 -7.618 498 1HB PRO 80 2HB PRO 80 12.428 15.074 -9.040 499 2HB PRO 80 1HB PRO 80 10.826 14.893 -9.781 500 1HG PRO 80 2HG PRO 80 12.279 17.364 -9.001 501 2HG PRO 80 1HG PRO 80 11.193 17.074 -10.368 502 1HD PRO 80 2HD PRO 80 10.478 18.394 -8.049 503 2HD PRO 80 1HD PRO 80 9.337 17.610 -9.162 504 H VAL 81 H VAL 81 11.268 13.543 -5.823 505 HA VAL 81 HA VAL 81 13.348 15.232 -4.513 506 HB VAL 81 HB VAL 81 12.924 13.547 -2.647 507 1HG1 VAL 81 1HG1 VAL 81 11.021 15.536 -3.753 508 2HG1 VAL 81 2HG1 VAL 81 11.772 15.463 -2.160 509 3HG1 VAL 81 3HG1 VAL 81 10.376 14.450 -2.524 510 1HG2 VAL 81 1HG2 VAL 81 10.356 12.810 -3.915 511 2HG2 VAL 81 2HG2 VAL 81 11.432 11.841 -2.905 512 3HG2 VAL 81 3HG2 VAL 81 11.783 12.050 -4.620 513 H GLY 82 H GLY 82 13.021 12.468 -6.515 514 1HA GLY 82 2HA GLY 82 15.555 11.916 -7.183 515 2HA GLY 82 1HA GLY 82 15.527 11.234 -5.557 516 H SER 83 H SER 83 16.039 9.280 -7.093 517 HA SER 83 HA SER 83 13.623 8.121 -8.353 518 1HB SER 83 2HB SER 83 15.458 6.281 -8.748 519 2HB SER 83 1HB SER 83 15.563 7.804 -9.624 520 HG SER 83 HG SER 83 16.917 7.067 -7.235 521 H VAL 84 H VAL 84 12.943 5.893 -7.734 522 HA VAL 84 HA VAL 84 13.487 5.313 -4.838 523 HB VAL 84 HB VAL 84 10.968 4.842 -6.462 524 1HG1 VAL 84 1HG1 VAL 84 9.978 4.577 -4.152 525 2HG1 VAL 84 2HG1 VAL 84 11.620 4.601 -3.509 526 3HG1 VAL 84 3HG1 VAL 84 11.118 3.306 -4.597 527 1HG2 VAL 84 1HG2 VAL 84 10.233 6.918 -5.876 528 2HG2 VAL 84 2HG2 VAL 84 11.946 7.281 -5.669 529 3HG2 VAL 84 3HG2 VAL 84 10.969 6.827 -4.276 530 H ASP 85 H ASP 85 13.414 3.018 -4.263 531 HA ASP 85 HA ASP 85 13.445 1.049 -6.476 532 1HB ASP 85 2HB ASP 85 15.724 0.284 -5.749 533 2HB ASP 85 1HB ASP 85 15.726 1.920 -6.406 534 H CYS 86 H CYS 86 12.152 -0.575 -5.674 535 HA CYS 86 HA CYS 86 11.900 -0.969 -2.752 536 1HB CYS 86 2HB CYS 86 10.469 -1.778 -5.254 537 2HB CYS 86 1HB CYS 86 10.249 -2.781 -3.822 538 H ALA 87 H ALA 87 14.445 -1.720 -4.128 539 HA ALA 87 HA ALA 87 14.640 -4.530 -4.581 540 1HB ALA 87 1HB ALA 87 16.786 -3.907 -4.970 541 2HB ALA 87 2HB ALA 87 16.972 -3.297 -3.325 542 3HB ALA 87 3HB ALA 87 16.274 -2.266 -4.573 543 H THR 88 H THR 88 15.208 -2.622 -1.609 544 HA THR 88 HA THR 88 14.798 -5.135 -0.025 545 HB THR 88 HB THR 88 17.155 -4.671 -0.041 546 HG1 THR 88 HG1 THR 88 17.217 -4.835 2.036 547 1HG2 THR 88 1HG2 THR 88 17.680 -2.583 -0.744 548 2HG2 THR 88 2HG2 THR 88 17.584 -2.149 0.962 549 3HG2 THR 88 3HG2 THR 88 16.194 -1.895 -0.092 550 H ALA 89 H ALA 89 13.490 -2.243 -0.770 551 HA ALA 89 HA ALA 89 12.824 -1.334 1.958 552 1HB ALA 89 1HB ALA 89 13.310 0.336 0.286 553 2HB ALA 89 2HB ALA 89 11.574 0.412 0.587 554 3HB ALA 89 3HB ALA 89 12.185 -0.403 -0.853 555 H ALA 90 H ALA 90 10.161 -0.475 1.420 556 HA ALA 90 HA ALA 90 8.752 -3.117 1.259 557 1HB ALA 90 1HB ALA 90 8.478 -0.654 2.943 558 2HB ALA 90 2HB ALA 90 8.461 -2.347 3.436 559 3HB ALA 90 3HB ALA 90 7.048 -1.644 2.646 560 H CYS 91 H CYS 91 7.527 -3.296 -0.554 561 HA CYS 91 HA CYS 91 6.514 -0.788 -1.825 562 1HB CYS 91 2HB CYS 91 7.919 -3.087 -2.745 563 2HB CYS 91 1HB CYS 91 6.311 -3.132 -3.470 564 H ASN 92 H ASN 92 4.274 -0.604 -2.191 565 HA ASN 92 HA ASN 92 2.578 -2.995 -1.661 566 1HB ASN 92 2HB ASN 92 1.194 -1.330 -0.162 567 2HB ASN 92 1HB ASN 92 2.613 -2.132 0.510 568 1HD2 ASN 92 1HD2 ASN 92 1.713 0.916 -1.204 569 2HD2 ASN 92 2HD2 ASN 92 2.868 1.873 -0.411 570 H LEU 93 H LEU 93 0.613 -2.941 -2.752 571 HA LEU 93 HA LEU 93 0.066 -0.507 -4.423 572 1HB LEU 93 2HB LEU 93 0.931 -2.265 -5.813 573 2HB LEU 93 1HB LEU 93 -0.062 -3.477 -5.005 574 HG LEU 93 HG LEU 93 -1.790 -1.422 -5.999 575 1HD1 LEU 93 1HD1 LEU 93 -0.213 -0.783 -7.657 576 2HD1 LEU 93 2HD1 LEU 93 -1.280 -1.923 -8.478 577 3HD1 LEU 93 3HD1 LEU 93 0.309 -2.448 -7.917 578 1HD2 LEU 93 1HD2 LEU 93 -2.575 -3.655 -5.655 579 2HD2 LEU 93 2HD2 LEU 93 -1.287 -4.337 -6.647 580 3HD2 LEU 93 3HD2 LEU 93 -2.586 -3.415 -7.402 581 H GLY 94 H GLY 94 -2.058 0.248 -4.266 582 1HA GLY 94 2HA GLY 94 -4.106 -1.594 -3.136 583 2HA GLY 94 1HA GLY 94 -3.833 -0.053 -2.324 584 H ALA 95 H ALA 95 -6.320 -0.309 -3.137 585 HA ALA 95 HA ALA 95 -6.532 1.596 -5.406 586 1HB ALA 95 1HB ALA 95 -7.511 0.113 -6.845 587 2HB ALA 95 2HB ALA 95 -8.359 -0.729 -5.548 588 3HB ALA 95 3HB ALA 95 -6.665 -1.088 -5.872 589 H GLY 96 H GLY 96 -8.932 2.268 -5.634 590 1HA GLY 96 2HA GLY 96 -11.069 1.831 -4.050 591 2HA GLY 96 1HA GLY 96 -10.014 2.678 -2.918 592 H ASN 97 H ASN 97 -12.524 3.709 -3.807 593 HA ASN 97 HA ASN 97 -11.640 6.029 -5.472 594 1HB ASN 97 2HB ASN 97 -13.264 4.625 -6.606 595 2HB ASN 97 1HB ASN 97 -14.309 4.627 -5.185 596 1HD2 ASN 97 1HD2 ASN 97 -15.870 6.265 -5.089 597 2HD2 ASN 97 2HD2 ASN 97 -15.876 7.647 -6.074 598 H SER 98 H SER 98 -12.619 8.112 -4.870 599 HA SER 98 HA SER 98 -12.524 8.783 -2.148 600 1HB SER 98 2HB SER 98 -12.756 10.117 -4.454 601 2HB SER 98 1HB SER 98 -14.442 10.199 -3.951 602 HG SER 98 HG SER 98 -12.306 11.565 -3.035 603 H GLY 99 H GLY 99 -13.717 7.242 -0.886 604 1HA GLY 99 2HA GLY 99 -15.920 7.467 0.373 605 2HA GLY 99 1HA GLY 99 -16.687 7.397 -1.215 606 H LEU 100 H LEU 100 -15.220 5.378 -2.438 607 HA LEU 100 HA LEU 100 -16.242 3.012 -0.982 608 1HB LEU 100 2HB LEU 100 -16.408 3.740 -3.536 609 2HB LEU 100 1HB LEU 100 -14.846 2.926 -3.631 610 HG LEU 100 HG LEU 100 -16.730 1.380 -4.116 611 1HD1 LEU 100 1HD1 LEU 100 -14.558 0.688 -2.937 612 2HD1 LEU 100 2HD1 LEU 100 -15.929 -0.407 -2.758 613 3HD1 LEU 100 3HD1 LEU 100 -15.497 0.685 -1.444 614 1HD2 LEU 100 1HD2 LEU 100 -17.958 2.749 -2.009 615 2HD2 LEU 100 2HD2 LEU 100 -17.618 1.150 -1.345 616 3HD2 LEU 100 3HD2 LEU 100 -18.580 1.309 -2.815 617 H ASP 101 H ASP 101 -14.900 1.597 0.079 618 HA ASP 101 HA ASP 101 -11.953 2.054 -0.120 619 1HB ASP 101 2HB ASP 101 -13.614 0.595 1.959 620 2HB ASP 101 1HB ASP 101 -11.917 1.052 2.106 621 H LEU 102 H LEU 102 -10.579 0.305 -0.603 622 HA LEU 102 HA LEU 102 -11.934 -2.252 -1.393 623 1HB LEU 102 2HB LEU 102 -9.643 -0.700 -2.625 624 2HB LEU 102 1HB LEU 102 -10.087 -2.332 -3.126 625 HG LEU 102 HG LEU 102 -11.771 0.176 -3.304 626 1HD1 LEU 102 1HD1 LEU 102 -10.163 -1.424 -5.137 627 2HD1 LEU 102 2HD1 LEU 102 -10.872 0.173 -5.375 628 3HD1 LEU 102 3HD1 LEU 102 -11.831 -1.274 -5.688 629 1HD2 LEU 102 1HD2 LEU 102 -13.311 -1.737 -4.443 630 2HD2 LEU 102 2HD2 LEU 102 -13.473 -1.263 -2.752 631 3HD2 LEU 102 3HD2 LEU 102 -12.538 -2.695 -3.181 632 H GLY 103 H GLY 103 -8.512 -1.317 -1.130 633 1HA GLY 103 2HA GLY 103 -7.744 -2.324 1.301 634 2HA GLY 103 1HA GLY 103 -7.932 -3.782 0.328 635 H HIS 104 H HIS 104 -5.465 -3.566 1.105 636 HA HIS 104 HA HIS 104 -3.975 -2.652 -1.307 637 1HB HIS 104 2HB HIS 104 -2.472 -2.002 1.089 638 2HB HIS 104 1HB HIS 104 -2.957 -0.932 -0.220 639 HD1 HIS 104 HD1 HIS 104 -4.298 0.979 0.645 640 HD2 HIS 104 HD2 HIS 104 -5.029 -2.495 2.830 641 HE1 HIS 104 HE1 HIS 104 -6.009 1.588 2.413 642 H VAL 105 H VAL 105 -2.549 -4.246 -1.889 643 HA VAL 105 HA VAL 105 -1.948 -6.383 0.111 644 HB VAL 105 HB VAL 105 -1.736 -6.293 -2.915 645 1HG1 VAL 105 1HG1 VAL 105 -1.612 -8.791 -2.645 646 2HG1 VAL 105 2HG1 VAL 105 -1.462 -8.546 -0.904 647 3HG1 VAL 105 3HG1 VAL 105 -0.214 -7.937 -1.992 648 1HG2 VAL 105 1HG2 VAL 105 -3.920 -6.871 -3.002 649 2HG2 VAL 105 2HG2 VAL 105 -4.019 -6.402 -1.304 650 3HG2 VAL 105 3HG2 VAL 105 -3.715 -8.083 -1.737 651 H ALA 106 H ALA 106 0.257 -7.164 0.259 652 HA ALA 106 HA ALA 106 2.273 -5.042 -0.204 653 1HB ALA 106 1HB ALA 106 3.630 -6.843 1.123 654 2HB ALA 106 2HB ALA 106 2.057 -7.601 1.368 655 3HB ALA 106 3HB ALA 106 2.350 -5.966 1.961 656 H LEU 107 H LEU 107 4.127 -5.384 -1.522 657 HA LEU 107 HA LEU 107 4.061 -7.855 -3.225 658 1HB LEU 107 2HB LEU 107 4.632 -4.958 -3.911 659 2HB LEU 107 1HB LEU 107 4.898 -6.298 -5.028 660 HG LEU 107 HG LEU 107 2.230 -5.796 -3.695 661 1HD1 LEU 107 1HD1 LEU 107 3.528 -4.298 -5.801 662 2HD1 LEU 107 2HD1 LEU 107 1.952 -4.025 -5.059 663 3HD1 LEU 107 3HD1 LEU 107 2.103 -5.120 -6.433 664 1HD2 LEU 107 1HD2 LEU 107 2.920 -7.271 -6.251 665 2HD2 LEU 107 2HD2 LEU 107 1.389 -7.298 -5.377 666 3HD2 LEU 107 3HD2 LEU 107 2.815 -8.068 -4.681 667 H THR 108 H THR 108 5.794 -9.015 -2.385 668 HA THR 108 HA THR 108 8.233 -7.703 -1.445 669 HB THR 108 HB THR 108 7.837 -10.631 -2.062 670 HG1 THR 108 HG1 THR 108 7.002 -9.328 0.303 671 1HG2 THR 108 1HG2 THR 108 9.999 -10.274 -1.243 672 2HG2 THR 108 2HG2 THR 108 9.101 -10.659 0.225 673 3HG2 THR 108 3HG2 THR 108 9.479 -8.980 -0.162 674 H PHE 109 H PHE 109 10.388 -8.634 -2.375 675 HA PHE 109 HA PHE 109 10.229 -8.929 -5.350 676 1HB PHE 109 2HB PHE 109 11.400 -6.799 -3.668 677 2HB PHE 109 1HB PHE 109 12.454 -7.382 -4.956 678 HD1 PHE 109 HD1 PHE 109 11.058 -7.854 -7.261 679 HD2 PHE 109 HD2 PHE 109 10.046 -4.993 -4.222 680 HE1 PHE 109 HE1 PHE 109 9.755 -6.552 -8.921 681 HE2 PHE 109 HE2 PHE 109 8.743 -3.691 -5.881 682 HZ PHE 109 HZ PHE 109 8.597 -4.470 -8.231 683 H GLY 110 H GLY 110 10.780 -11.201 -5.003 684 1HA GLY 110 2HA GLY 110 13.335 -12.047 -5.362 685 2HA GLY 110 1HA GLY 110 13.296 -11.828 -3.612 Start of MODEL 22 1 1H ALA 1 1H ALA 1 -15.421 -5.943 1.576 2 2H ALA 1 2H ALA 1 -16.395 -6.059 2.961 3 3H ALA 1 3H ALA 1 -16.501 -4.691 1.961 4 HA ALA 1 HA ALA 1 -17.868 -7.195 1.742 5 1HB ALA 1 1HB ALA 1 -18.869 -5.466 -0.109 6 2HB ALA 1 2HB ALA 1 -17.997 -4.342 0.931 7 3HB ALA 1 3HB ALA 1 -19.256 -5.374 1.608 8 HA PRO 2 HA PRO 2 -16.306 -7.021 -2.770 9 1HB PRO 2 2HB PRO 2 -14.367 -5.204 -3.406 10 2HB PRO 2 1HB PRO 2 -16.109 -4.837 -3.497 11 1HG PRO 2 2HG PRO 2 -14.123 -4.115 -1.391 12 2HG PRO 2 1HG PRO 2 -15.474 -3.175 -2.042 13 1HD PRO 2 2HD PRO 2 -15.555 -4.494 0.354 14 2HD PRO 2 1HD PRO 2 -16.992 -4.135 -0.625 15 H ALA 3 H ALA 3 -14.018 -7.484 -3.886 16 HA ALA 3 HA ALA 3 -12.126 -8.504 -1.793 17 1HB ALA 3 1HB ALA 3 -12.099 -10.592 -2.863 18 2HB ALA 3 2HB ALA 3 -12.678 -9.922 -4.389 19 3HB ALA 3 3HB ALA 3 -13.788 -10.113 -3.031 20 H PHE 4 H PHE 4 -9.924 -8.318 -2.337 21 HA PHE 4 HA PHE 4 -9.174 -7.390 -5.056 22 1HB PHE 4 2HB PHE 4 -9.775 -5.370 -3.806 23 2HB PHE 4 1HB PHE 4 -8.716 -5.851 -2.481 24 HD1 PHE 4 HD1 PHE 4 -8.257 -5.907 -6.204 25 HD2 PHE 4 HD2 PHE 4 -6.892 -4.395 -2.422 26 HE1 PHE 4 HE1 PHE 4 -6.341 -4.806 -7.334 27 HE2 PHE 4 HE2 PHE 4 -4.977 -3.295 -3.551 28 HZ PHE 4 HZ PHE 4 -4.701 -3.501 -6.007 29 H SER 5 H SER 5 -7.716 -9.078 -5.409 30 HA SER 5 HA SER 5 -5.327 -9.151 -3.645 31 1HB SER 5 2HB SER 5 -5.686 -11.320 -2.921 32 2HB SER 5 1HB SER 5 -7.358 -10.790 -3.071 33 HG SER 5 HG SER 5 -6.272 -12.813 -4.267 34 H VAL 6 H VAL 6 -3.489 -10.085 -4.710 35 HA VAL 6 HA VAL 6 -3.791 -10.322 -7.678 36 HB VAL 6 HB VAL 6 -2.315 -8.550 -6.713 37 1HG1 VAL 6 1HG1 VAL 6 -1.662 -9.707 -4.657 38 2HG1 VAL 6 2HG1 VAL 6 -0.220 -9.284 -5.581 39 3HG1 VAL 6 3HG1 VAL 6 -0.821 -10.942 -5.594 40 1HG2 VAL 6 1HG2 VAL 6 -1.021 -8.814 -8.543 41 2HG2 VAL 6 2HG2 VAL 6 -1.667 -10.441 -8.718 42 3HG2 VAL 6 3HG2 VAL 6 -0.187 -10.178 -7.802 43 H SER 7 H SER 7 -2.525 -12.063 -8.727 44 HA SER 7 HA SER 7 -2.790 -14.618 -7.517 45 1HB SER 7 2HB SER 7 -1.538 -13.398 -9.906 46 2HB SER 7 1HB SER 7 -0.930 -14.989 -9.459 47 HG SER 7 HG SER 7 -3.076 -14.509 -10.798 48 HA PRO 8 HA PRO 8 1.896 -14.668 -6.637 49 1HB PRO 8 2HB PRO 8 3.399 -12.474 -7.259 50 2HB PRO 8 1HB PRO 8 3.091 -13.795 -8.402 51 1HG PRO 8 2HG PRO 8 1.801 -11.117 -8.219 52 2HG PRO 8 1HG PRO 8 2.246 -12.061 -9.649 53 1HD PRO 8 2HD PRO 8 -0.310 -11.893 -8.681 54 2HD PRO 8 1HD PRO 8 0.308 -13.276 -9.611 55 H ALA 9 H ALA 9 2.161 -11.170 -6.406 56 HA ALA 9 HA ALA 9 1.961 -9.698 -4.552 57 1HB ALA 9 1HB ALA 9 0.820 -11.490 -2.617 58 2HB ALA 9 2HB ALA 9 0.042 -11.776 -4.172 59 3HB ALA 9 3HB ALA 9 0.035 -10.161 -3.467 60 H SER 10 H SER 10 4.056 -11.985 -4.950 61 HA SER 10 HA SER 10 5.675 -11.328 -2.630 62 1HB SER 10 2HB SER 10 4.082 -13.870 -2.767 63 2HB SER 10 1HB SER 10 5.643 -13.877 -1.952 64 HG SER 10 HG SER 10 4.881 -12.525 -0.456 65 H GLY 11 H GLY 11 7.529 -11.097 -3.870 66 1HA GLY 11 2HA GLY 11 9.500 -12.083 -4.839 67 2HA GLY 11 1HA GLY 11 8.554 -13.519 -5.238 68 H LEU 12 H LEU 12 8.943 -10.087 -6.111 69 HA LEU 12 HA LEU 12 8.104 -10.824 -8.899 70 1HB LEU 12 2HB LEU 12 7.623 -8.172 -7.518 71 2HB LEU 12 1HB LEU 12 6.874 -8.767 -8.999 72 HG LEU 12 HG LEU 12 6.526 -10.247 -6.391 73 1HD1 LEU 12 1HD1 LEU 12 5.848 -7.740 -6.306 74 2HD1 LEU 12 2HD1 LEU 12 4.660 -8.944 -5.804 75 3HD1 LEU 12 3HD1 LEU 12 4.552 -8.213 -7.404 76 1HD2 LEU 12 1HD2 LEU 12 4.420 -10.942 -7.549 77 2HD2 LEU 12 2HD2 LEU 12 5.870 -11.416 -8.430 78 3HD2 LEU 12 3HD2 LEU 12 4.932 -10.022 -8.963 79 H SER 13 H SER 13 8.914 -9.044 -10.473 80 HA SER 13 HA SER 13 11.528 -7.909 -9.609 81 1HB SER 13 2HB SER 13 12.484 -9.611 -10.768 82 2HB SER 13 1HB SER 13 10.942 -10.085 -11.474 83 HG SER 13 HG SER 13 12.830 -9.056 -12.788 84 H ASP 14 H ASP 14 12.290 -6.205 -11.157 85 HA ASP 14 HA ASP 14 10.291 -4.307 -11.820 86 1HB ASP 14 2HB ASP 14 12.150 -3.210 -13.018 87 2HB ASP 14 1HB ASP 14 12.709 -3.869 -11.481 88 H GLY 15 H GLY 15 8.816 -4.350 -13.470 89 1HA GLY 15 2HA GLY 15 8.203 -4.493 -15.794 90 2HA GLY 15 1HA GLY 15 9.593 -5.543 -16.060 91 H GLN 16 H GLN 16 9.012 -7.236 -13.741 92 HA GLN 16 HA GLN 16 7.647 -9.377 -14.811 93 1HB GLN 16 2HB GLN 16 8.769 -8.818 -12.450 94 2HB GLN 16 1HB GLN 16 7.081 -8.654 -11.966 95 1HG GLN 16 2HG GLN 16 8.005 -11.060 -13.523 96 2HG GLN 16 1HG GLN 16 8.178 -10.999 -11.770 97 1HE2 GLN 16 1HE2 GLN 16 6.458 -12.933 -12.815 98 2HE2 GLN 16 2HE2 GLN 16 4.847 -12.506 -12.499 99 H SER 17 H SER 17 5.503 -9.907 -15.219 100 HA SER 17 HA SER 17 3.496 -7.746 -14.889 101 1HB SER 17 2HB SER 17 3.077 -8.555 -16.966 102 2HB SER 17 1HB SER 17 4.060 -9.986 -16.677 103 HG SER 17 HG SER 17 1.349 -9.531 -15.965 104 H VAL 18 H VAL 18 1.499 -8.127 -13.774 105 HA VAL 18 HA VAL 18 1.431 -10.561 -12.039 106 HB VAL 18 HB VAL 18 0.612 -9.063 -10.237 107 1HG1 VAL 18 1HG1 VAL 18 2.722 -8.359 -9.631 108 2HG1 VAL 18 2HG1 VAL 18 3.077 -7.697 -11.227 109 3HG1 VAL 18 3HG1 VAL 18 3.154 -9.438 -10.957 110 1HG2 VAL 18 1HG2 VAL 18 0.758 -7.053 -12.467 111 2HG2 VAL 18 2HG2 VAL 18 1.108 -6.508 -10.827 112 3HG2 VAL 18 3HG2 VAL 18 -0.456 -7.233 -11.202 113 H SER 19 H SER 19 -0.921 -10.663 -11.023 114 HA SER 19 HA SER 19 -2.929 -9.879 -13.102 115 1HB SER 19 2HB SER 19 -3.838 -12.280 -12.242 116 2HB SER 19 1HB SER 19 -2.761 -12.106 -13.624 117 HG SER 19 HG SER 19 -1.812 -13.567 -12.273 118 H VAL 20 H VAL 20 -4.505 -8.681 -12.116 119 HA VAL 20 HA VAL 20 -4.860 -8.935 -9.173 120 HB VAL 20 HB VAL 20 -5.735 -6.935 -11.271 121 1HG1 VAL 20 1HG1 VAL 20 -7.477 -6.947 -9.632 122 2HG1 VAL 20 2HG1 VAL 20 -6.427 -5.596 -9.202 123 3HG1 VAL 20 3HG1 VAL 20 -6.326 -7.112 -8.307 124 1HG2 VAL 20 1HG2 VAL 20 -4.089 -5.524 -10.330 125 2HG2 VAL 20 2HG2 VAL 20 -3.305 -7.102 -10.410 126 3HG2 VAL 20 3HG2 VAL 20 -3.949 -6.512 -8.877 127 H SER 21 H SER 21 -7.050 -9.070 -8.331 128 HA SER 21 HA SER 21 -9.160 -9.940 -10.230 129 1HB SER 21 2HB SER 21 -7.445 -11.701 -8.777 130 2HB SER 21 1HB SER 21 -9.055 -11.830 -8.076 131 HG SER 21 HG SER 21 -8.876 -13.236 -9.825 132 H VAL 22 H VAL 22 -10.981 -8.900 -9.553 133 HA VAL 22 HA VAL 22 -11.319 -8.386 -6.616 134 HB VAL 22 HB VAL 22 -11.997 -6.766 -9.082 135 1HG1 VAL 22 1HG1 VAL 22 -12.660 -6.015 -6.228 136 2HG1 VAL 22 2HG1 VAL 22 -13.827 -6.807 -7.287 137 3HG1 VAL 22 3HG1 VAL 22 -13.188 -5.219 -7.711 138 1HG2 VAL 22 1HG2 VAL 22 -10.668 -5.384 -6.923 139 2HG2 VAL 22 2HG2 VAL 22 -10.103 -5.653 -8.573 140 3HG2 VAL 22 3HG2 VAL 22 -9.778 -6.854 -7.322 141 H SER 23 H SER 23 -13.379 -8.839 -5.764 142 HA SER 23 HA SER 23 -15.599 -9.578 -7.570 143 1HB SER 23 2HB SER 23 -14.672 -11.627 -5.585 144 2HB SER 23 1HB SER 23 -15.594 -11.861 -7.066 145 HG SER 23 HG SER 23 -13.433 -12.517 -7.332 146 H GLY 24 H GLY 24 -17.448 -8.867 -6.583 147 1HA GLY 24 2HA GLY 24 -18.650 -9.320 -4.267 148 2HA GLY 24 1HA GLY 24 -17.353 -8.285 -3.671 149 H ALA 25 H ALA 25 -17.129 -6.178 -5.130 150 HA ALA 25 HA ALA 25 -19.433 -4.585 -4.757 151 1HB ALA 25 1HB ALA 25 -18.214 -3.012 -6.266 152 2HB ALA 25 2HB ALA 25 -17.121 -4.324 -6.704 153 3HB ALA 25 3HB ALA 25 -17.159 -3.723 -5.045 154 H ALA 26 H ALA 26 -19.850 -3.297 -7.274 155 HA ALA 26 HA ALA 26 -20.599 -5.282 -9.283 156 1HB ALA 26 1HB ALA 26 -22.248 -5.405 -7.287 157 2HB ALA 26 2HB ALA 26 -22.935 -5.286 -8.908 158 3HB ALA 26 3HB ALA 26 -22.852 -3.857 -7.879 159 H ALA 27 H ALA 27 -21.702 -4.275 -11.137 160 HA ALA 27 HA ALA 27 -20.567 -2.002 -12.185 161 1HB ALA 27 1HB ALA 27 -22.419 -3.761 -12.976 162 2HB ALA 27 2HB ALA 27 -22.216 -2.214 -13.802 163 3HB ALA 27 3HB ALA 27 -23.499 -2.416 -12.607 164 H GLY 28 H GLY 28 -20.718 0.187 -11.819 165 1HA GLY 28 2HA GLY 28 -22.181 2.137 -11.304 166 2HA GLY 28 1HA GLY 28 -22.901 1.150 -10.035 167 H GLU 29 H GLU 29 -19.600 0.533 -10.202 168 HA GLU 29 HA GLU 29 -18.936 2.693 -8.245 169 1HB GLU 29 2HB GLU 29 -18.480 -0.286 -7.903 170 2HB GLU 29 1HB GLU 29 -18.021 0.964 -6.748 171 1HG GLU 29 2HG GLU 29 -20.686 1.517 -7.164 172 2HG GLU 29 1HG GLU 29 -20.654 -0.244 -7.254 173 H THR 30 H THR 30 -16.971 3.568 -8.771 174 HA THR 30 HA THR 30 -15.190 2.015 -10.611 175 HB THR 30 HB THR 30 -15.252 4.988 -9.999 176 HG1 THR 30 HG1 THR 30 -16.291 3.959 -12.355 177 1HG2 THR 30 1HG2 THR 30 -13.904 5.243 -11.923 178 2HG2 THR 30 2HG2 THR 30 -14.266 3.615 -12.497 179 3HG2 THR 30 3HG2 THR 30 -13.215 3.844 -11.099 180 H TYR 31 H TYR 31 -12.859 2.162 -10.173 181 HA TYR 31 HA TYR 31 -12.158 2.968 -7.379 182 1HB TYR 31 2HB TYR 31 -11.316 0.398 -8.752 183 2HB TYR 31 1HB TYR 31 -11.051 0.836 -7.065 184 HD1 TYR 31 HD1 TYR 31 -12.654 0.302 -5.420 185 HD2 TYR 31 HD2 TYR 31 -13.764 0.208 -9.568 186 HE1 TYR 31 HE1 TYR 31 -14.839 -0.703 -4.816 187 HE2 TYR 31 HE2 TYR 31 -15.949 -0.796 -8.960 188 HH TYR 31 HH TYR 31 -17.236 -1.535 -7.317 189 H TYR 32 H TYR 32 -9.644 2.896 -7.169 190 HA TYR 32 HA TYR 32 -8.366 3.698 -9.761 191 1HB TYR 32 2HB TYR 32 -8.114 4.997 -7.028 192 2HB TYR 32 1HB TYR 32 -7.284 5.523 -8.493 193 HD1 TYR 32 HD1 TYR 32 -8.289 7.145 -9.851 194 HD2 TYR 32 HD2 TYR 32 -10.740 4.790 -7.221 195 HE1 TYR 32 HE1 TYR 32 -10.268 8.496 -10.487 196 HE2 TYR 32 HE2 TYR 32 -12.721 6.142 -7.859 197 HH TYR 32 HH TYR 32 -12.681 8.990 -9.090 198 H ILE 33 H ILE 33 -7.023 1.899 -10.032 199 HA ILE 33 HA ILE 33 -5.574 0.743 -7.736 200 HB ILE 33 HB ILE 33 -6.610 -0.580 -9.604 201 1HG1 ILE 33 2HG1 ILE 33 -3.806 -1.266 -10.037 202 2HG1 ILE 33 1HG1 ILE 33 -4.140 -0.942 -8.335 203 1HG2 ILE 33 1HG2 ILE 33 -5.985 1.121 -11.370 204 2HG2 ILE 33 2HG2 ILE 33 -5.604 -0.547 -11.800 205 3HG2 ILE 33 3HG2 ILE 33 -4.325 0.539 -11.254 206 1HD1 ILE 33 1HD1 ILE 33 -5.436 -2.988 -10.138 207 2HD1 ILE 33 2HD1 ILE 33 -6.199 -2.467 -8.636 208 3HD1 ILE 33 3HD1 ILE 33 -4.619 -3.249 -8.597 209 H ALA 34 H ALA 34 -3.590 1.491 -7.124 210 HA ALA 34 HA ALA 34 -1.693 2.487 -9.180 211 1HB ALA 34 1HB ALA 34 -1.689 4.323 -6.976 212 2HB ALA 34 2HB ALA 34 -3.352 4.138 -7.535 213 3HB ALA 34 3HB ALA 34 -2.094 4.651 -8.661 214 H GLN 35 H GLN 35 0.514 2.693 -8.276 215 HA GLN 35 HA GLN 35 0.887 1.146 -5.735 216 1HB GLN 35 2HB GLN 35 1.370 0.184 -8.182 217 2HB GLN 35 1HB GLN 35 2.886 1.055 -7.953 218 1HG GLN 35 2HG GLN 35 2.478 -0.255 -5.521 219 2HG GLN 35 1HG GLN 35 1.994 -1.434 -6.738 220 1HE2 GLN 35 1HE2 GLN 35 3.622 -2.089 -8.352 221 2HE2 GLN 35 2HE2 GLN 35 5.274 -1.832 -8.063 222 H CYS 36 H CYS 36 2.348 2.034 -4.289 223 HA CYS 36 HA CYS 36 4.208 4.180 -5.214 224 1HB CYS 36 2HB CYS 36 1.923 4.417 -3.263 225 2HB CYS 36 1HB CYS 36 3.312 5.500 -3.159 226 H ALA 37 H ALA 37 5.716 4.820 -3.323 227 HA ALA 37 HA ALA 37 5.940 2.759 -1.193 228 1HB ALA 37 1HB ALA 37 7.130 1.632 -2.894 229 2HB ALA 37 2HB ALA 37 8.402 2.463 -1.996 230 3HB ALA 37 3HB ALA 37 7.820 3.129 -3.522 231 HA PRO 38 HA PRO 38 7.527 6.248 0.943 232 1HB PRO 38 2HB PRO 38 8.967 5.000 2.903 233 2HB PRO 38 1HB PRO 38 7.193 5.055 2.894 234 1HG PRO 38 2HG PRO 38 9.019 2.845 2.090 235 2HG PRO 38 1HG PRO 38 7.463 2.777 2.934 236 1HD PRO 38 2HD PRO 38 7.767 2.221 0.271 237 2HD PRO 38 1HD PRO 38 6.257 2.823 0.989 238 H VAL 39 H VAL 39 9.775 7.087 1.784 239 HA VAL 39 HA VAL 39 11.983 6.041 0.063 240 HB VAL 39 HB VAL 39 11.356 8.963 0.521 241 1HG1 VAL 39 1HG1 VAL 39 13.577 8.689 -0.257 242 2HG1 VAL 39 2HG1 VAL 39 12.646 9.051 -1.711 243 3HG1 VAL 39 3HG1 VAL 39 13.115 7.388 -1.355 244 1HG2 VAL 39 1HG2 VAL 39 9.462 8.500 -0.694 245 2HG2 VAL 39 2HG2 VAL 39 10.123 6.996 -1.335 246 3HG2 VAL 39 3HG2 VAL 39 10.595 8.539 -2.046 247 H GLY 40 H GLY 40 14.098 7.261 0.834 248 1HA GLY 40 2HA GLY 40 14.459 6.627 3.629 249 2HA GLY 40 1HA GLY 40 15.656 7.398 2.592 250 H GLY 41 H GLY 41 12.941 9.266 2.290 251 1HA GLY 41 2HA GLY 41 13.267 10.780 4.786 252 2HA GLY 41 1HA GLY 41 13.819 11.603 3.333 253 H GLN 42 H GLN 42 11.650 10.349 1.692 254 HA GLN 42 HA GLN 42 9.229 11.621 2.865 255 1HB GLN 42 2HB GLN 42 10.699 12.345 0.326 256 2HB GLN 42 1HB GLN 42 8.987 12.724 0.529 257 1HG GLN 42 2HG GLN 42 10.351 13.503 2.919 258 2HG GLN 42 1HG GLN 42 11.235 14.164 1.543 259 1HE2 GLN 42 1HE2 GLN 42 9.607 15.737 3.432 260 2HE2 GLN 42 2HE2 GLN 42 8.360 16.447 2.524 261 H ASP 43 H ASP 43 7.681 11.408 0.474 262 HA ASP 43 HA ASP 43 7.703 8.436 0.068 263 1HB ASP 43 2HB ASP 43 5.371 10.371 0.077 264 2HB ASP 43 1HB ASP 43 5.274 8.610 0.011 265 H ALA 44 H ALA 44 7.473 7.686 -2.044 266 HA ALA 44 HA ALA 44 7.357 9.774 -4.198 267 1HB ALA 44 1HB ALA 44 9.529 8.797 -4.164 268 2HB ALA 44 2HB ALA 44 8.684 7.928 -5.444 269 3HB ALA 44 3HB ALA 44 8.886 7.184 -3.857 270 H CYS 45 H CYS 45 6.368 8.853 -6.289 271 HA CYS 45 HA CYS 45 4.557 6.516 -5.785 272 1HB CYS 45 2HB CYS 45 3.846 9.362 -5.904 273 2HB CYS 45 1HB CYS 45 2.874 8.348 -6.969 274 H ASN 46 H ASN 46 3.599 5.646 -7.748 275 HA ASN 46 HA ASN 46 5.248 6.216 -10.167 276 1HB ASN 46 2HB ASN 46 3.531 3.950 -9.156 277 2HB ASN 46 1HB ASN 46 4.059 4.008 -10.839 278 1HD2 ASN 46 1HD2 ASN 46 5.796 2.572 -11.005 279 2HD2 ASN 46 2HD2 ASN 46 7.110 2.516 -9.930 280 HA PRO 47 HA PRO 47 1.532 8.268 -11.603 281 1HB PRO 47 2HB PRO 47 2.693 9.467 -13.762 282 2HB PRO 47 1HB PRO 47 2.846 10.092 -12.107 283 1HG PRO 47 2HG PRO 47 4.807 8.591 -13.746 284 2HG PRO 47 1HG PRO 47 5.077 9.828 -12.512 285 1HD PRO 47 2HD PRO 47 5.384 7.085 -12.144 286 2HD PRO 47 1HD PRO 47 5.214 8.289 -10.847 287 H ALA 48 H ALA 48 3.702 6.216 -13.472 288 HA ALA 48 HA ALA 48 2.005 5.899 -15.788 289 1HB ALA 48 1HB ALA 48 4.497 4.874 -14.661 290 2HB ALA 48 2HB ALA 48 4.058 5.128 -16.351 291 3HB ALA 48 3HB ALA 48 3.600 3.632 -15.536 292 H THR 49 H THR 49 2.293 4.145 -12.722 293 HA THR 49 HA THR 49 0.372 2.076 -13.573 294 HB THR 49 HB THR 49 0.771 1.400 -11.127 295 HG1 THR 49 HG1 THR 49 2.040 2.624 -9.968 296 1HG2 THR 49 1HG2 THR 49 3.444 1.613 -12.356 297 2HG2 THR 49 2HG2 THR 49 2.198 0.937 -13.406 298 3HG2 THR 49 3HG2 THR 49 2.548 0.182 -11.851 299 H ALA 50 H ALA 50 -0.197 5.162 -12.990 300 HA ALA 50 HA ALA 50 -2.282 4.893 -10.902 301 1HB ALA 50 1HB ALA 50 -1.063 7.106 -12.549 302 2HB ALA 50 2HB ALA 50 -1.005 6.880 -10.800 303 3HB ALA 50 3HB ALA 50 -2.504 7.392 -11.574 304 H THR 51 H THR 51 -3.925 3.604 -11.901 305 HA THR 51 HA THR 51 -5.369 4.951 -14.135 306 HB THR 51 HB THR 51 -3.995 3.156 -15.059 307 HG1 THR 51 HG1 THR 51 -6.682 2.297 -14.758 308 1HG2 THR 51 1HG2 THR 51 -5.251 0.899 -13.779 309 2HG2 THR 51 2HG2 THR 51 -4.522 1.950 -12.565 310 3HG2 THR 51 3HG2 THR 51 -3.537 1.304 -13.877 311 H SER 52 H SER 52 -7.670 4.060 -14.311 312 HA SER 52 HA SER 52 -8.687 3.179 -11.627 313 1HB SER 52 2HB SER 52 -10.550 4.715 -11.993 314 2HB SER 52 1HB SER 52 -9.037 5.596 -12.188 315 HG SER 52 HG SER 52 -11.016 5.109 -13.982 316 H PHE 53 H PHE 53 -10.483 1.726 -11.690 317 HA PHE 53 HA PHE 53 -11.409 0.801 -14.373 318 1HB PHE 53 2HB PHE 53 -10.934 -1.532 -13.659 319 2HB PHE 53 1HB PHE 53 -9.466 -0.556 -13.703 320 HD1 PHE 53 HD1 PHE 53 -8.702 0.562 -11.509 321 HD2 PHE 53 HD2 PHE 53 -11.590 -2.613 -11.677 322 HE1 PHE 53 HE1 PHE 53 -8.312 0.081 -9.107 323 HE2 PHE 53 HE2 PHE 53 -11.199 -3.095 -9.276 324 HZ PHE 53 HZ PHE 53 -9.560 -1.748 -7.991 325 H THR 54 H THR 54 -13.568 0.100 -14.328 326 HA THR 54 HA THR 54 -14.987 0.378 -11.726 327 HB THR 54 HB THR 54 -16.084 0.280 -14.543 328 HG1 THR 54 HG1 THR 54 -15.637 2.339 -14.721 329 1HG2 THR 54 1HG2 THR 54 -17.530 -0.026 -12.386 330 2HG2 THR 54 2HG2 THR 54 -18.079 1.088 -13.639 331 3HG2 THR 54 3HG2 THR 54 -17.284 1.710 -12.192 332 H THR 55 H THR 55 -16.607 -1.225 -11.150 333 HA THR 55 HA THR 55 -15.811 -3.959 -11.582 334 HB THR 55 HB THR 55 -18.319 -4.203 -10.654 335 HG1 THR 55 HG1 THR 55 -19.173 -2.290 -10.674 336 1HG2 THR 55 1HG2 THR 55 -17.340 -4.335 -8.595 337 2HG2 THR 55 2HG2 THR 55 -16.546 -2.770 -8.755 338 3HG2 THR 55 3HG2 THR 55 -15.858 -4.193 -9.539 339 H ASP 56 H ASP 56 -18.388 -5.202 -12.148 340 HA ASP 56 HA ASP 56 -18.948 -4.319 -14.957 341 1HB ASP 56 2HB ASP 56 -17.397 -6.561 -14.079 342 2HB ASP 56 1HB ASP 56 -18.873 -7.170 -14.828 343 H ALA 57 H ALA 57 -20.683 -6.319 -15.690 344 HA ALA 57 HA ALA 57 -23.103 -5.659 -14.382 345 1HB ALA 57 1HB ALA 57 -24.038 -7.283 -15.849 346 2HB ALA 57 2HB ALA 57 -22.564 -8.247 -15.830 347 3HB ALA 57 3HB ALA 57 -22.603 -6.710 -16.696 348 H SER 58 H SER 58 -21.301 -8.724 -14.209 349 HA SER 58 HA SER 58 -22.841 -9.658 -11.929 350 1HB SER 58 2HB SER 58 -21.926 -11.541 -12.802 351 2HB SER 58 1HB SER 58 -20.838 -10.585 -13.801 352 HG SER 58 HG SER 58 -20.183 -12.070 -11.776 353 H GLY 59 H GLY 59 -20.536 -7.258 -12.229 354 1HA GLY 59 2HA GLY 59 -19.368 -6.052 -10.592 355 2HA GLY 59 1HA GLY 59 -20.093 -7.082 -9.372 356 H ALA 60 H ALA 60 -17.628 -7.213 -11.938 357 HA ALA 60 HA ALA 60 -15.810 -8.616 -10.041 358 1HB ALA 60 1HB ALA 60 -15.448 -9.970 -12.427 359 2HB ALA 60 2HB ALA 60 -17.193 -9.723 -12.381 360 3HB ALA 60 3HB ALA 60 -16.387 -10.564 -11.057 361 H ALA 61 H ALA 61 -13.840 -7.610 -10.176 362 HA ALA 61 HA ALA 61 -13.175 -6.190 -12.731 363 1HB ALA 61 1HB ALA 61 -13.099 -4.399 -11.359 364 2HB ALA 61 2HB ALA 61 -11.670 -5.121 -10.622 365 3HB ALA 61 3HB ALA 61 -13.265 -5.420 -9.932 366 H SER 62 H SER 62 -12.154 -8.283 -13.418 367 HA SER 62 HA SER 62 -9.551 -8.828 -12.020 368 1HB SER 62 2HB SER 62 -10.329 -10.953 -12.150 369 2HB SER 62 1HB SER 62 -11.702 -10.435 -13.119 370 HG SER 62 HG SER 62 -10.196 -11.941 -14.145 371 H PHE 63 H PHE 63 -7.654 -8.633 -13.237 372 HA PHE 63 HA PHE 63 -7.658 -8.533 -16.154 373 1HB PHE 63 2HB PHE 63 -7.062 -6.072 -16.233 374 2HB PHE 63 1HB PHE 63 -8.729 -6.412 -15.772 375 HD1 PHE 63 HD1 PHE 63 -9.491 -6.118 -13.466 376 HD2 PHE 63 HD2 PHE 63 -5.438 -5.253 -14.599 377 HE1 PHE 63 HE1 PHE 63 -9.154 -4.904 -11.329 378 HE2 PHE 63 HE2 PHE 63 -5.100 -4.040 -12.461 379 HZ PHE 63 HZ PHE 63 -6.957 -3.862 -10.825 380 H SER 64 H SER 64 -5.465 -7.435 -16.892 381 HA SER 64 HA SER 64 -3.316 -8.678 -15.251 382 1HB SER 64 2HB SER 64 -3.376 -9.304 -17.558 383 2HB SER 64 1HB SER 64 -3.595 -7.638 -18.080 384 HG SER 64 HG SER 64 -1.501 -7.606 -18.209 385 H PHE 65 H PHE 65 -1.676 -7.476 -14.336 386 HA PHE 65 HA PHE 65 -1.615 -4.519 -14.818 387 1HB PHE 65 2HB PHE 65 -2.879 -5.288 -12.740 388 2HB PHE 65 1HB PHE 65 -1.355 -5.935 -12.146 389 HD1 PHE 65 HD1 PHE 65 -2.325 -2.775 -13.913 390 HD2 PHE 65 HD2 PHE 65 -0.439 -4.575 -10.501 391 HE1 PHE 65 HE1 PHE 65 -1.691 -0.530 -13.076 392 HE2 PHE 65 HE2 PHE 65 0.193 -2.331 -9.665 393 HZ PHE 65 HZ PHE 65 -0.433 -0.317 -10.952 394 H VAL 66 H VAL 66 0.590 -3.828 -13.356 395 HA VAL 66 HA VAL 66 2.717 -5.844 -13.908 396 HB VAL 66 HB VAL 66 2.845 -2.955 -14.798 397 1HG1 VAL 66 1HG1 VAL 66 5.033 -3.587 -14.883 398 2HG1 VAL 66 2HG1 VAL 66 4.545 -4.409 -16.366 399 3HG1 VAL 66 3HG1 VAL 66 4.639 -5.304 -14.849 400 1HG2 VAL 66 1HG2 VAL 66 2.095 -5.446 -16.364 401 2HG2 VAL 66 2HG2 VAL 66 2.458 -3.882 -17.093 402 3HG2 VAL 66 3HG2 VAL 66 1.054 -4.059 -16.042 403 H VAL 67 H VAL 67 4.823 -5.156 -12.886 404 HA VAL 67 HA VAL 67 4.452 -3.243 -10.609 405 HB VAL 67 HB VAL 67 5.509 -4.942 -9.144 406 1HG1 VAL 67 1HG1 VAL 67 3.612 -6.617 -9.229 407 2HG1 VAL 67 2HG1 VAL 67 3.062 -5.818 -10.703 408 3HG1 VAL 67 3HG1 VAL 67 3.098 -4.930 -9.179 409 1HG2 VAL 67 1HG2 VAL 67 5.305 -6.717 -11.599 410 2HG2 VAL 67 2HG2 VAL 67 5.850 -7.222 -9.999 411 3HG2 VAL 67 3HG2 VAL 67 6.806 -6.073 -10.935 412 H ARG 68 H ARG 68 6.330 -2.075 -10.110 413 HA ARG 68 HA ARG 68 8.762 -2.706 -11.755 414 1HB ARG 68 2HB ARG 68 7.583 -0.058 -10.852 415 2HB ARG 68 1HB ARG 68 9.086 -0.231 -11.759 416 1HG ARG 68 2HG ARG 68 6.701 -1.599 -12.889 417 2HG ARG 68 1HG ARG 68 6.697 0.163 -12.956 418 1HD ARG 68 2HD ARG 68 9.273 -1.067 -13.736 419 2HD ARG 68 1HD ARG 68 7.920 -1.414 -14.832 420 HE ARG 68 HE ARG 68 9.037 1.256 -14.272 421 1HH1 ARG 68 1HH2 ARG 68 7.511 -0.586 -16.552 422 2HH1 ARG 68 2HH2 ARG 68 6.389 0.628 -17.073 423 1HH2 ARG 68 1HH1 ARG 68 7.134 2.807 -14.480 424 2HH2 ARG 68 2HH1 ARG 68 6.176 2.549 -15.899 425 H LYS 69 H LYS 69 10.658 -2.919 -10.590 426 HA LYS 69 HA LYS 69 10.576 -2.942 -7.689 427 1HB LYS 69 2HB LYS 69 11.953 -4.451 -9.068 428 2HB LYS 69 1HB LYS 69 12.860 -3.067 -9.677 429 1HG LYS 69 2HG LYS 69 13.366 -2.536 -7.207 430 2HG LYS 69 1HG LYS 69 12.810 -4.178 -6.876 431 1HD LYS 69 2HD LYS 69 15.078 -3.377 -8.717 432 2HD LYS 69 1HD LYS 69 15.218 -4.226 -7.177 433 1HE LYS 69 2HE LYS 69 13.559 -5.947 -8.337 434 2HE LYS 69 1HE LYS 69 14.253 -5.259 -9.819 435 1HZ LYS 69 1HZ LYS 69 15.669 -7.024 -9.111 436 2HZ LYS 69 2HZ LYS 69 15.730 -6.425 -7.523 437 3HZ LYS 69 3HZ LYS 69 16.473 -5.568 -8.788 438 H SER 70 H SER 70 12.567 -0.986 -9.951 439 HA SER 70 HA SER 70 12.710 1.124 -7.829 440 1HB SER 70 2HB SER 70 14.898 0.598 -8.307 441 2HB SER 70 1HB SER 70 14.517 0.041 -9.931 442 HG SER 70 HG SER 70 14.493 2.114 -10.636 443 H TYR 71 H TYR 71 12.061 3.208 -8.343 444 HA TYR 71 HA TYR 71 11.406 3.922 -11.140 445 1HB TYR 71 2HB TYR 71 9.062 4.289 -10.667 446 2HB TYR 71 1HB TYR 71 9.459 2.660 -10.127 447 HD1 TYR 71 HD1 TYR 71 8.315 5.952 -9.135 448 HD2 TYR 71 HD2 TYR 71 9.925 2.247 -7.674 449 HE1 TYR 71 HE1 TYR 71 7.540 6.517 -6.847 450 HE2 TYR 71 HE2 TYR 71 9.153 2.813 -5.386 451 HH TYR 71 HH TYR 71 6.905 5.135 -4.730 452 H THR 72 H THR 72 12.153 5.984 -11.372 453 HA THR 72 HA THR 72 13.235 7.663 -9.459 454 HB THR 72 HB THR 72 11.597 8.387 -11.906 455 HG1 THR 72 HG1 THR 72 14.394 8.279 -11.737 456 1HG2 THR 72 1HG2 THR 72 12.333 10.542 -11.733 457 2HG2 THR 72 2HG2 THR 72 13.873 10.064 -11.017 458 3HG2 THR 72 3HG2 THR 72 12.423 10.144 -10.016 459 H GLY 73 H GLY 73 12.409 8.669 -7.676 460 1HA GLY 73 2HA GLY 73 9.452 8.959 -7.450 461 2HA GLY 73 1HA GLY 73 10.598 9.047 -6.109 462 H SER 74 H SER 74 8.515 11.035 -6.976 463 HA SER 74 HA SER 74 10.376 13.377 -6.985 464 1HB SER 74 2HB SER 74 10.014 12.837 -9.339 465 2HB SER 74 1HB SER 74 8.269 12.814 -9.099 466 HG SER 74 HG SER 74 8.888 14.819 -9.906 467 H THR 75 H THR 75 9.425 15.252 -6.119 468 HA THR 75 HA THR 75 6.980 14.843 -4.538 469 HB THR 75 HB THR 75 7.642 17.080 -3.671 470 HG1 THR 75 HG1 THR 75 8.486 17.616 -5.893 471 1HG2 THR 75 1HG2 THR 75 8.748 15.031 -2.812 472 2HG2 THR 75 2HG2 THR 75 9.816 16.433 -2.766 473 3HG2 THR 75 3HG2 THR 75 10.003 15.224 -4.035 474 HA PRO 76 HA PRO 76 4.379 17.193 -7.229 475 1HB PRO 76 2HB PRO 76 2.750 18.512 -5.482 476 2HB PRO 76 1HB PRO 76 2.689 16.754 -5.721 477 1HG PRO 76 2HG PRO 76 3.731 18.290 -3.447 478 2HG PRO 76 1HG PRO 76 3.196 16.607 -3.522 479 1HD PRO 76 2HD PRO 76 5.881 17.596 -3.548 480 2HD PRO 76 1HD PRO 76 5.342 15.908 -3.667 481 H GLU 77 H GLU 77 6.911 18.660 -6.126 482 HA GLU 77 HA GLU 77 5.971 21.412 -6.809 483 1HB GLU 77 2HB GLU 77 7.473 20.313 -4.510 484 2HB GLU 77 1HB GLU 77 8.112 21.818 -5.175 485 1HG GLU 77 2HG GLU 77 5.702 22.698 -5.086 486 2HG GLU 77 1HG GLU 77 5.347 21.298 -4.072 487 H GLY 78 H GLY 78 7.597 18.971 -8.099 488 1HA GLY 78 2HA GLY 78 9.120 18.966 -9.913 489 2HA GLY 78 1HA GLY 78 9.316 20.706 -9.705 490 H THR 79 H THR 79 9.710 19.013 -6.782 491 HA THR 79 HA THR 79 12.644 19.482 -6.911 492 HB THR 79 HB THR 79 10.682 18.887 -4.677 493 HG1 THR 79 HG1 THR 79 11.565 21.099 -4.152 494 1HG2 THR 79 1HG2 THR 79 12.533 19.272 -3.135 495 2HG2 THR 79 2HG2 THR 79 13.633 19.546 -4.487 496 3HG2 THR 79 3HG2 THR 79 12.942 17.946 -4.223 497 HA PRO 80 HA PRO 80 12.762 15.022 -7.594 498 1HB PRO 80 2HB PRO 80 15.355 14.996 -8.476 499 2HB PRO 80 1HB PRO 80 13.982 15.419 -9.520 500 1HG PRO 80 2HG PRO 80 15.942 17.201 -8.161 501 2HG PRO 80 1HG PRO 80 15.199 17.351 -9.761 502 1HD PRO 80 2HD PRO 80 14.389 18.778 -7.568 503 2HD PRO 80 1HD PRO 80 13.327 18.382 -8.938 504 H VAL 81 H VAL 81 13.444 13.497 -6.094 505 HA VAL 81 HA VAL 81 15.470 14.387 -4.068 506 HB VAL 81 HB VAL 81 13.065 14.208 -3.352 507 1HG1 VAL 81 1HG1 VAL 81 12.973 11.345 -3.139 508 2HG1 VAL 81 2HG1 VAL 81 13.255 11.782 -4.824 509 3HG1 VAL 81 3HG1 VAL 81 11.849 12.420 -3.971 510 1HG2 VAL 81 1HG2 VAL 81 13.820 12.229 -1.592 511 2HG2 VAL 81 2HG2 VAL 81 14.242 13.934 -1.430 512 3HG2 VAL 81 3HG2 VAL 81 15.376 12.811 -2.182 513 H GLY 82 H GLY 82 15.466 12.610 -6.690 514 1HA GLY 82 2HA GLY 82 17.286 11.038 -7.119 515 2HA GLY 82 1HA GLY 82 17.102 10.453 -5.467 516 H SER 83 H SER 83 17.001 8.335 -6.781 517 HA SER 83 HA SER 83 14.263 7.875 -7.886 518 1HB SER 83 2HB SER 83 15.268 6.122 -9.104 519 2HB SER 83 1HB SER 83 16.510 7.371 -9.087 520 HG SER 83 HG SER 83 17.475 5.478 -8.457 521 H VAL 84 H VAL 84 13.060 6.034 -7.117 522 HA VAL 84 HA VAL 84 13.771 5.263 -4.326 523 HB VAL 84 HB VAL 84 11.223 5.210 -5.966 524 1HG1 VAL 84 1HG1 VAL 84 11.537 3.300 -4.264 525 2HG1 VAL 84 2HG1 VAL 84 10.086 4.289 -4.094 526 3HG1 VAL 84 3HG1 VAL 84 11.464 4.554 -3.026 527 1HG2 VAL 84 1HG2 VAL 84 11.250 7.377 -5.264 528 2HG2 VAL 84 2HG2 VAL 84 12.490 7.062 -4.050 529 3HG2 VAL 84 3HG2 VAL 84 10.800 6.706 -3.696 530 H ASP 85 H ASP 85 13.670 3.011 -3.724 531 HA ASP 85 HA ASP 85 13.680 1.084 -6.016 532 1HB ASP 85 2HB ASP 85 15.937 1.928 -4.978 533 2HB ASP 85 1HB ASP 85 15.521 0.846 -3.648 534 H CYS 86 H CYS 86 12.861 -1.001 -5.487 535 HA CYS 86 HA CYS 86 11.352 -1.125 -2.909 536 1HB CYS 86 2HB CYS 86 10.466 -1.362 -5.409 537 2HB CYS 86 1HB CYS 86 10.993 -3.029 -5.189 538 H ALA 87 H ALA 87 14.310 -1.940 -3.718 539 HA ALA 87 HA ALA 87 14.398 -4.811 -3.275 540 1HB ALA 87 1HB ALA 87 16.727 -4.484 -3.506 541 2HB ALA 87 2HB ALA 87 16.645 -2.844 -2.862 542 3HB ALA 87 3HB ALA 87 16.031 -3.189 -4.479 543 H THR 88 H THR 88 15.476 -2.037 -1.257 544 HA THR 88 HA THR 88 15.598 -3.781 1.121 545 HB THR 88 HB THR 88 17.273 -1.995 0.510 546 HG1 THR 88 HG1 THR 88 17.340 -1.169 2.658 547 1HG2 THR 88 1HG2 THR 88 16.723 0.262 0.516 548 2HG2 THR 88 2HG2 THR 88 15.315 0.020 1.551 549 3HG2 THR 88 3HG2 THR 88 15.247 -0.438 -0.151 550 H ALA 89 H ALA 89 13.492 -1.329 -0.257 551 HA ALA 89 HA ALA 89 11.886 -1.175 2.228 552 1HB ALA 89 1HB ALA 89 11.783 0.231 -0.456 553 2HB ALA 89 2HB ALA 89 12.431 0.886 1.048 554 3HB ALA 89 3HB ALA 89 10.700 0.590 0.890 555 H ALA 90 H ALA 90 9.377 -0.733 0.947 556 HA ALA 90 HA ALA 90 8.814 -3.317 -0.445 557 1HB ALA 90 1HB ALA 90 8.416 -2.938 2.223 558 2HB ALA 90 2HB ALA 90 7.445 -4.031 1.238 559 3HB ALA 90 3HB ALA 90 6.864 -2.402 1.581 560 H CYS 91 H CYS 91 7.023 -3.193 -1.869 561 HA CYS 91 HA CYS 91 6.039 -0.422 -2.371 562 1HB CYS 91 2HB CYS 91 6.299 -2.921 -4.056 563 2HB CYS 91 1HB CYS 91 5.487 -1.465 -4.626 564 H ASN 92 H ASN 92 3.893 0.000 -1.995 565 HA ASN 92 HA ASN 92 2.107 -2.350 -1.463 566 1HB ASN 92 2HB ASN 92 2.120 0.522 -0.479 567 2HB ASN 92 1HB ASN 92 0.860 -0.647 -0.086 568 1HD2 ASN 92 1HD2 ASN 92 2.838 0.638 1.777 569 2HD2 ASN 92 2HD2 ASN 92 3.679 -0.647 2.500 570 H LEU 93 H LEU 93 0.515 -2.655 -2.948 571 HA LEU 93 HA LEU 93 -0.208 -0.400 -4.780 572 1HB LEU 93 2HB LEU 93 0.701 -2.414 -5.833 573 2HB LEU 93 1HB LEU 93 -0.452 -3.423 -4.963 574 HG LEU 93 HG LEU 93 -2.309 -2.167 -6.105 575 1HD1 LEU 93 1HD1 LEU 93 -1.885 -0.389 -7.439 576 2HD1 LEU 93 2HD1 LEU 93 -0.585 -1.238 -8.279 577 3HD1 LEU 93 3HD1 LEU 93 -0.257 -0.403 -6.759 578 1HD2 LEU 93 1HD2 LEU 93 -2.116 -3.402 -8.165 579 2HD2 LEU 93 2HD2 LEU 93 -1.336 -4.369 -6.912 580 3HD2 LEU 93 3HD2 LEU 93 -0.357 -3.436 -8.046 581 H GLY 94 H GLY 94 -2.066 0.607 -4.024 582 1HA GLY 94 2HA GLY 94 -4.198 -1.196 -2.929 583 2HA GLY 94 1HA GLY 94 -3.910 0.418 -2.290 584 H ALA 95 H ALA 95 -6.409 -0.438 -3.279 585 HA ALA 95 HA ALA 95 -6.726 1.514 -5.522 586 1HB ALA 95 1HB ALA 95 -8.037 -1.206 -5.548 587 2HB ALA 95 2HB ALA 95 -6.430 -0.962 -6.234 588 3HB ALA 95 3HB ALA 95 -7.813 -0.088 -6.894 589 H GLY 96 H GLY 96 -8.389 2.887 -4.942 590 1HA GLY 96 2HA GLY 96 -10.871 1.867 -3.826 591 2HA GLY 96 1HA GLY 96 -9.920 2.737 -2.623 592 H ASN 97 H ASN 97 -12.392 3.749 -3.322 593 HA ASN 97 HA ASN 97 -11.853 5.961 -5.244 594 1HB ASN 97 2HB ASN 97 -13.822 4.789 -5.803 595 2HB ASN 97 1HB ASN 97 -14.282 4.589 -4.114 596 1HD2 ASN 97 1HD2 ASN 97 -15.885 5.995 -3.419 597 2HD2 ASN 97 2HD2 ASN 97 -16.232 7.504 -4.115 598 H SER 98 H SER 98 -14.181 6.034 -2.610 599 HA SER 98 HA SER 98 -12.561 7.832 -0.942 600 1HB SER 98 2HB SER 98 -13.333 9.268 -2.793 601 2HB SER 98 1HB SER 98 -14.997 8.786 -2.480 602 HG SER 98 HG SER 98 -14.274 9.566 -0.198 603 H GLY 99 H GLY 99 -13.299 5.765 0.287 604 1HA GLY 99 2HA GLY 99 -14.651 5.844 2.454 605 2HA GLY 99 1HA GLY 99 -16.036 6.186 1.414 606 H LEU 100 H LEU 100 -14.630 4.288 -0.611 607 HA LEU 100 HA LEU 100 -15.962 1.830 0.400 608 1HB LEU 100 2HB LEU 100 -16.382 2.834 -1.867 609 2HB LEU 100 1HB LEU 100 -14.702 2.482 -2.274 610 HG LEU 100 HG LEU 100 -15.113 0.080 -1.802 611 1HD1 LEU 100 1HD1 LEU 100 -17.861 1.159 -1.202 612 2HD1 LEU 100 2HD1 LEU 100 -16.878 0.049 -0.248 613 3HD1 LEU 100 3HD1 LEU 100 -17.644 -0.509 -1.735 614 1HD2 LEU 100 1HD2 LEU 100 -17.058 1.325 -3.768 615 2HD2 LEU 100 2HD2 LEU 100 -16.489 -0.344 -3.799 616 3HD2 LEU 100 3HD2 LEU 100 -15.360 0.977 -4.092 617 H ASP 101 H ASP 101 -12.995 2.414 -1.472 618 HA ASP 101 HA ASP 101 -10.833 1.482 -1.261 619 1HB ASP 101 2HB ASP 101 -11.591 2.338 1.176 620 2HB ASP 101 1HB ASP 101 -11.446 0.613 1.522 621 H LEU 102 H LEU 102 -10.214 -0.464 -2.055 622 HA LEU 102 HA LEU 102 -11.945 -2.831 -1.618 623 1HB LEU 102 2HB LEU 102 -9.683 -2.159 -3.520 624 2HB LEU 102 1HB LEU 102 -10.550 -3.695 -3.531 625 HG LEU 102 HG LEU 102 -12.042 -1.085 -3.711 626 1HD1 LEU 102 1HD1 LEU 102 -10.244 -2.253 -5.691 627 2HD1 LEU 102 2HD1 LEU 102 -11.067 -0.694 -5.711 628 3HD1 LEU 102 3HD1 LEU 102 -11.896 -2.136 -6.294 629 1HD2 LEU 102 1HD2 LEU 102 -12.568 -3.992 -4.092 630 2HD2 LEU 102 2HD2 LEU 102 -13.390 -2.890 -5.197 631 3HD2 LEU 102 3HD2 LEU 102 -13.626 -2.733 -3.457 632 H GLY 103 H GLY 103 -8.588 -1.753 -1.277 633 1HA GLY 103 2HA GLY 103 -7.823 -2.908 1.035 634 2HA GLY 103 1HA GLY 103 -7.807 -4.301 -0.045 635 H HIS 104 H HIS 104 -5.430 -3.825 0.948 636 HA HIS 104 HA HIS 104 -3.924 -2.462 -1.252 637 1HB HIS 104 2HB HIS 104 -3.918 -2.073 1.701 638 2HB HIS 104 1HB HIS 104 -2.346 -2.040 0.903 639 HD1 HIS 104 HD1 HIS 104 -1.695 0.216 0.077 640 HD2 HIS 104 HD2 HIS 104 -5.840 -0.231 0.173 641 HE1 HIS 104 HE1 HIS 104 -2.674 2.439 -0.652 642 H VAL 105 H VAL 105 -2.649 -4.008 -2.200 643 HA VAL 105 HA VAL 105 -1.956 -6.469 -0.713 644 HB VAL 105 HB VAL 105 -1.619 -5.541 -3.581 645 1HG1 VAL 105 1HG1 VAL 105 0.046 -7.301 -2.595 646 2HG1 VAL 105 2HG1 VAL 105 -0.753 -7.648 -4.129 647 3HG1 VAL 105 3HG1 VAL 105 -1.344 -8.386 -2.640 648 1HG2 VAL 105 1HG2 VAL 105 -3.867 -5.979 -3.480 649 2HG2 VAL 105 2HG2 VAL 105 -3.710 -6.982 -2.037 650 3HG2 VAL 105 3HG2 VAL 105 -3.328 -7.652 -3.623 651 H ALA 106 H ALA 106 0.080 -6.830 0.102 652 HA ALA 106 HA ALA 106 2.124 -4.712 -0.215 653 1HB ALA 106 1HB ALA 106 2.071 -7.256 1.432 654 2HB ALA 106 2HB ALA 106 1.451 -5.699 1.980 655 3HB ALA 106 3HB ALA 106 3.172 -5.896 1.649 656 H LEU 107 H LEU 107 3.277 -4.960 -2.128 657 HA LEU 107 HA LEU 107 3.850 -7.555 -3.315 658 1HB LEU 107 2HB LEU 107 5.102 -4.835 -3.812 659 2HB LEU 107 1HB LEU 107 5.066 -6.197 -4.934 660 HG LEU 107 HG LEU 107 2.588 -4.825 -3.857 661 1HD1 LEU 107 1HD1 LEU 107 2.525 -3.484 -5.748 662 2HD1 LEU 107 2HD1 LEU 107 3.512 -4.595 -6.698 663 3HD1 LEU 107 3HD1 LEU 107 4.266 -3.562 -5.483 664 1HD2 LEU 107 1HD2 LEU 107 2.315 -6.233 -6.363 665 2HD2 LEU 107 2HD2 LEU 107 1.467 -6.514 -4.844 666 3HD2 LEU 107 3HD2 LEU 107 3.009 -7.310 -5.152 667 H THR 108 H THR 108 5.519 -8.896 -2.748 668 HA THR 108 HA THR 108 7.560 -7.941 -0.829 669 HB THR 108 HB THR 108 7.355 -10.688 -2.049 670 HG1 THR 108 HG1 THR 108 5.830 -9.884 0.171 671 1HG2 THR 108 1HG2 THR 108 9.161 -9.977 -0.389 672 2HG2 THR 108 2HG2 THR 108 8.225 -11.405 0.049 673 3HG2 THR 108 3HG2 THR 108 7.871 -9.853 0.806 674 H PHE 109 H PHE 109 9.882 -8.441 -1.274 675 HA PHE 109 HA PHE 109 10.611 -8.745 -4.140 676 1HB PHE 109 2HB PHE 109 10.732 -6.295 -2.480 677 2HB PHE 109 1HB PHE 109 12.189 -6.639 -3.411 678 HD1 PHE 109 HD1 PHE 109 8.548 -6.000 -3.625 679 HD2 PHE 109 HD2 PHE 109 12.205 -6.526 -5.816 680 HE1 PHE 109 HE1 PHE 109 7.433 -5.178 -5.682 681 HE2 PHE 109 HE2 PHE 109 11.091 -5.702 -7.874 682 HZ PHE 109 HZ PHE 109 8.705 -5.029 -7.807 683 H GLY 110 H GLY 110 13.113 -8.826 -4.293 684 1HA GLY 110 2HA GLY 110 14.073 -10.657 -2.208 685 2HA GLY 110 1HA GLY 110 14.938 -10.222 -3.684 Start of MODEL 23 1 1H ALA 1 1H ALA 1 -16.582 -6.948 4.589 2 2H ALA 1 2H ALA 1 -16.886 -8.308 3.619 3 3H ALA 1 3H ALA 1 -17.663 -6.836 3.284 4 HA ALA 1 HA ALA 1 -15.685 -5.826 2.515 5 1HB ALA 1 1HB ALA 1 -14.192 -6.465 4.231 6 2HB ALA 1 2HB ALA 1 -13.555 -7.299 2.813 7 3HB ALA 1 3HB ALA 1 -14.522 -8.182 3.995 8 HA PRO 2 HA PRO 2 -16.394 -8.271 -1.090 9 1HB PRO 2 2HB PRO 2 -14.964 -6.765 -2.866 10 2HB PRO 2 1HB PRO 2 -16.535 -6.256 -2.226 11 1HG PRO 2 2HG PRO 2 -13.805 -5.381 -1.424 12 2HG PRO 2 1HG PRO 2 -15.300 -4.441 -1.562 13 1HD PRO 2 2HD PRO 2 -14.272 -5.349 0.818 14 2HD PRO 2 1HD PRO 2 -15.992 -4.994 0.546 15 H ALA 3 H ALA 3 -13.338 -7.232 -2.331 16 HA ALA 3 HA ALA 3 -11.578 -9.130 -1.113 17 1HB ALA 3 1HB ALA 3 -11.905 -11.042 -2.348 18 2HB ALA 3 2HB ALA 3 -12.387 -10.150 -3.790 19 3HB ALA 3 3HB ALA 3 -13.536 -10.387 -2.476 20 H PHE 4 H PHE 4 -9.527 -8.573 -1.736 21 HA PHE 4 HA PHE 4 -9.016 -7.493 -4.453 22 1HB PHE 4 2HB PHE 4 -9.715 -5.582 -3.019 23 2HB PHE 4 1HB PHE 4 -8.434 -5.991 -1.876 24 HD1 PHE 4 HD1 PHE 4 -6.023 -5.881 -2.617 25 HD2 PHE 4 HD2 PHE 4 -9.245 -4.374 -5.027 26 HE1 PHE 4 HE1 PHE 4 -4.403 -4.576 -3.968 27 HE2 PHE 4 HE2 PHE 4 -7.625 -3.070 -6.377 28 HZ PHE 4 HZ PHE 4 -5.205 -3.171 -5.849 29 H SER 5 H SER 5 -7.550 -9.232 -4.826 30 HA SER 5 HA SER 5 -5.064 -9.126 -3.158 31 1HB SER 5 2HB SER 5 -5.157 -11.704 -3.418 32 2HB SER 5 1HB SER 5 -6.244 -10.959 -2.249 33 HG SER 5 HG SER 5 -7.586 -12.175 -3.422 34 H VAL 6 H VAL 6 -3.252 -10.344 -4.270 35 HA VAL 6 HA VAL 6 -3.490 -10.175 -7.257 36 HB VAL 6 HB VAL 6 -2.224 -8.319 -6.065 37 1HG1 VAL 6 1HG1 VAL 6 -1.310 -9.888 -4.298 38 2HG1 VAL 6 2HG1 VAL 6 -0.108 -8.825 -5.029 39 3HG1 VAL 6 3HG1 VAL 6 -0.207 -10.515 -5.524 40 1HG2 VAL 6 1HG2 VAL 6 -0.360 -8.350 -7.623 41 2HG2 VAL 6 2HG2 VAL 6 -1.770 -9.028 -8.435 42 3HG2 VAL 6 3HG2 VAL 6 -0.505 -10.096 -7.825 43 H SER 7 H SER 7 -2.337 -11.860 -8.400 44 HA SER 7 HA SER 7 -2.123 -14.379 -7.070 45 1HB SER 7 2HB SER 7 -1.426 -13.208 -9.715 46 2HB SER 7 1HB SER 7 -0.704 -14.763 -9.315 47 HG SER 7 HG SER 7 -2.655 -15.221 -10.222 48 HA PRO 8 HA PRO 8 2.561 -14.130 -6.824 49 1HB PRO 8 2HB PRO 8 4.008 -12.349 -8.283 50 2HB PRO 8 1HB PRO 8 3.471 -13.907 -8.939 51 1HG PRO 8 2HG PRO 8 2.354 -11.188 -9.374 52 2HG PRO 8 1HG PRO 8 2.490 -12.548 -10.498 53 1HD PRO 8 2HD PRO 8 0.166 -11.824 -9.204 54 2HD PRO 8 1HD PRO 8 0.510 -13.441 -9.850 55 H ALA 9 H ALA 9 1.500 -12.978 -4.868 56 HA ALA 9 HA ALA 9 1.768 -10.121 -4.546 57 1HB ALA 9 1HB ALA 9 0.365 -10.778 -2.909 58 2HB ALA 9 2HB ALA 9 1.769 -11.402 -2.040 59 3HB ALA 9 3HB ALA 9 0.854 -12.460 -3.112 60 H SER 10 H SER 10 3.939 -12.814 -4.166 61 HA SER 10 HA SER 10 6.019 -10.928 -3.117 62 1HB SER 10 2HB SER 10 5.371 -12.262 -1.261 63 2HB SER 10 1HB SER 10 5.227 -13.713 -2.249 64 HG SER 10 HG SER 10 7.515 -12.401 -1.273 65 H GLY 11 H GLY 11 7.931 -11.028 -4.247 66 1HA GLY 11 2HA GLY 11 9.648 -12.050 -5.555 67 2HA GLY 11 1HA GLY 11 8.593 -13.440 -5.808 68 H LEU 12 H LEU 12 8.663 -9.946 -6.598 69 HA LEU 12 HA LEU 12 7.393 -10.623 -9.226 70 1HB LEU 12 2HB LEU 12 7.554 -8.048 -7.620 71 2HB LEU 12 1HB LEU 12 6.720 -8.221 -9.165 72 HG LEU 12 HG LEU 12 6.016 -10.162 -7.012 73 1HD1 LEU 12 1HD1 LEU 12 6.097 -7.950 -5.858 74 2HD1 LEU 12 2HD1 LEU 12 4.458 -8.591 -5.972 75 3HD1 LEU 12 3HD1 LEU 12 4.982 -7.309 -7.065 76 1HD2 LEU 12 1HD2 LEU 12 4.286 -10.521 -8.415 77 2HD2 LEU 12 2HD2 LEU 12 5.062 -9.424 -9.554 78 3HD2 LEU 12 3HD2 LEU 12 3.865 -8.810 -8.415 79 H SER 13 H SER 13 8.194 -9.240 -11.077 80 HA SER 13 HA SER 13 11.105 -8.633 -10.779 81 1HB SER 13 2HB SER 13 9.601 -10.365 -12.515 82 2HB SER 13 1HB SER 13 10.412 -9.138 -13.483 83 HG SER 13 HG SER 13 11.729 -10.562 -11.421 84 H ASP 14 H ASP 14 11.887 -6.843 -12.119 85 HA ASP 14 HA ASP 14 10.113 -4.569 -12.176 86 1HB ASP 14 2HB ASP 14 12.074 -3.488 -13.212 87 2HB ASP 14 1HB ASP 14 12.574 -4.504 -11.860 88 H GLY 15 H GLY 15 8.684 -4.025 -13.775 89 1HA GLY 15 2HA GLY 15 7.953 -3.692 -16.023 90 2HA GLY 15 1HA GLY 15 9.229 -4.780 -16.561 91 H GLN 16 H GLN 16 8.426 -6.762 -14.447 92 HA GLN 16 HA GLN 16 6.815 -8.503 -15.976 93 1HB GLN 16 2HB GLN 16 8.254 -8.894 -13.886 94 2HB GLN 16 1HB GLN 16 6.862 -8.343 -12.953 95 1HG GLN 16 2HG GLN 16 5.507 -10.108 -14.252 96 2HG GLN 16 1HG GLN 16 7.069 -10.773 -14.736 97 1HE2 GLN 16 1HE2 GLN 16 7.222 -12.647 -13.433 98 2HE2 GLN 16 2HE2 GLN 16 7.109 -12.632 -11.739 99 H SER 17 H SER 17 4.555 -8.982 -15.926 100 HA SER 17 HA SER 17 2.835 -6.732 -14.981 101 1HB SER 17 2HB SER 17 2.046 -9.043 -16.749 102 2HB SER 17 1HB SER 17 1.354 -7.425 -16.696 103 HG SER 17 HG SER 17 2.706 -7.549 -18.467 104 H VAL 18 H VAL 18 1.515 -7.065 -13.231 105 HA VAL 18 HA VAL 18 1.370 -9.778 -12.045 106 HB VAL 18 HB VAL 18 0.414 -8.417 -10.123 107 1HG1 VAL 18 1HG1 VAL 18 3.115 -7.716 -11.299 108 2HG1 VAL 18 2HG1 VAL 18 2.757 -8.950 -10.091 109 3HG1 VAL 18 3HG1 VAL 18 2.616 -7.241 -9.675 110 1HG2 VAL 18 1HG2 VAL 18 1.363 -5.991 -11.647 111 2HG2 VAL 18 2HG2 VAL 18 0.285 -6.069 -10.252 112 3HG2 VAL 18 3HG2 VAL 18 -0.295 -6.561 -11.843 113 H SER 19 H SER 19 -0.878 -10.196 -10.956 114 HA SER 19 HA SER 19 -3.065 -9.381 -12.834 115 1HB SER 19 2HB SER 19 -3.884 -11.752 -12.468 116 2HB SER 19 1HB SER 19 -2.382 -11.625 -13.377 117 HG SER 19 HG SER 19 -2.678 -13.101 -11.358 118 H VAL 20 H VAL 20 -4.434 -8.172 -11.613 119 HA VAL 20 HA VAL 20 -4.724 -8.771 -8.722 120 HB VAL 20 HB VAL 20 -5.396 -6.481 -10.565 121 1HG1 VAL 20 1HG1 VAL 20 -7.291 -6.864 -8.968 122 2HG1 VAL 20 2HG1 VAL 20 -6.456 -5.335 -8.697 123 3HG1 VAL 20 3HG1 VAL 20 -6.147 -6.711 -7.636 124 1HG2 VAL 20 1HG2 VAL 20 -3.463 -5.670 -9.748 125 2HG2 VAL 20 2HG2 VAL 20 -3.228 -7.181 -8.874 126 3HG2 VAL 20 3HG2 VAL 20 -4.063 -5.834 -8.100 127 H SER 21 H SER 21 -6.808 -9.156 -7.820 128 HA SER 21 HA SER 21 -9.029 -9.632 -9.756 129 1HB SER 21 2HB SER 21 -7.534 -11.676 -9.204 130 2HB SER 21 1HB SER 21 -8.277 -11.625 -7.608 131 HG SER 21 HG SER 21 -9.306 -12.411 -10.034 132 H VAL 22 H VAL 22 -10.720 -8.476 -8.953 133 HA VAL 22 HA VAL 22 -11.012 -8.204 -5.987 134 HB VAL 22 HB VAL 22 -11.726 -6.477 -8.364 135 1HG1 VAL 22 1HG1 VAL 22 -13.647 -6.505 -6.807 136 2HG1 VAL 22 2HG1 VAL 22 -12.831 -4.941 -6.787 137 3HG1 VAL 22 3HG1 VAL 22 -12.568 -6.090 -5.475 138 1HG2 VAL 22 1HG2 VAL 22 -9.443 -6.275 -7.463 139 2HG2 VAL 22 2HG2 VAL 22 -10.093 -6.006 -5.846 140 3HG2 VAL 22 3HG2 VAL 22 -10.369 -4.815 -7.117 141 H SER 23 H SER 23 -12.966 -8.908 -5.074 142 HA SER 23 HA SER 23 -15.267 -9.463 -6.862 143 1HB SER 23 2HB SER 23 -15.293 -11.772 -6.425 144 2HB SER 23 1HB SER 23 -13.589 -11.424 -6.695 145 HG SER 23 HG SER 23 -14.801 -12.396 -4.507 146 H GLY 24 H GLY 24 -16.895 -8.499 -5.799 147 1HA GLY 24 2HA GLY 24 -18.133 -9.240 -3.492 148 2HA GLY 24 1HA GLY 24 -16.863 -8.178 -2.892 149 H ALA 25 H ALA 25 -16.737 -6.157 -4.670 150 HA ALA 25 HA ALA 25 -18.943 -4.482 -4.052 151 1HB ALA 25 1HB ALA 25 -17.905 -3.213 -6.112 152 2HB ALA 25 2HB ALA 25 -16.708 -4.505 -6.071 153 3HB ALA 25 3HB ALA 25 -16.919 -3.455 -4.671 154 H ALA 26 H ALA 26 -19.666 -3.372 -6.614 155 HA ALA 26 HA ALA 26 -20.797 -5.526 -8.263 156 1HB ALA 26 1HB ALA 26 -22.651 -5.699 -6.968 157 2HB ALA 26 2HB ALA 26 -23.084 -4.092 -7.550 158 3HB ALA 26 3HB ALA 26 -22.207 -4.272 -6.031 159 H ALA 27 H ALA 27 -21.963 -4.646 -10.127 160 HA ALA 27 HA ALA 27 -20.731 -2.587 -11.519 161 1HB ALA 27 1HB ALA 27 -22.276 -3.244 -13.040 162 2HB ALA 27 2HB ALA 27 -23.600 -2.692 -12.014 163 3HB ALA 27 3HB ALA 27 -22.925 -4.306 -11.791 164 H GLY 28 H GLY 28 -20.722 -0.374 -11.318 165 1HA GLY 28 2HA GLY 28 -22.149 1.668 -11.037 166 2HA GLY 28 1HA GLY 28 -22.863 0.853 -9.650 167 H GLU 29 H GLU 29 -19.519 0.244 -9.922 168 HA GLU 29 HA GLU 29 -18.859 2.538 -8.122 169 1HB GLU 29 2HB GLU 29 -18.399 -0.422 -7.634 170 2HB GLU 29 1HB GLU 29 -17.708 0.862 -6.640 171 1HG GLU 29 2HG GLU 29 -19.825 1.556 -5.853 172 2HG GLU 29 1HG GLU 29 -20.679 0.716 -7.148 173 H THR 30 H THR 30 -17.226 3.549 -9.209 174 HA THR 30 HA THR 30 -15.363 2.002 -10.911 175 HB THR 30 HB THR 30 -15.559 4.975 -10.307 176 HG1 THR 30 HG1 THR 30 -17.479 3.920 -11.195 177 1HG2 THR 30 1HG2 THR 30 -13.443 4.146 -11.375 178 2HG2 THR 30 2HG2 THR 30 -14.355 5.263 -12.387 179 3HG2 THR 30 3HG2 THR 30 -14.415 3.530 -12.710 180 H TYR 31 H TYR 31 -12.963 2.519 -10.629 181 HA TYR 31 HA TYR 31 -12.176 3.311 -7.881 182 1HB TYR 31 2HB TYR 31 -11.587 0.622 -9.157 183 2HB TYR 31 1HB TYR 31 -10.954 1.167 -7.604 184 HD1 TYR 31 HD1 TYR 31 -13.853 -0.148 -9.390 185 HD2 TYR 31 HD2 TYR 31 -12.491 1.553 -5.688 186 HE1 TYR 31 HE1 TYR 31 -15.911 -0.953 -8.264 187 HE2 TYR 31 HE2 TYR 31 -14.551 0.750 -4.564 188 HH TYR 31 HH TYR 31 -16.263 -1.344 -5.151 189 H TYR 32 H TYR 32 -9.757 3.404 -7.708 190 HA TYR 32 HA TYR 32 -8.409 3.824 -10.351 191 1HB TYR 32 2HB TYR 32 -8.113 5.549 -7.871 192 2HB TYR 32 1HB TYR 32 -7.514 5.898 -9.492 193 HD1 TYR 32 HD1 TYR 32 -9.753 7.157 -7.383 194 HD2 TYR 32 HD2 TYR 32 -9.765 5.227 -11.220 195 HE1 TYR 32 HE1 TYR 32 -11.898 8.271 -7.936 196 HE2 TYR 32 HE2 TYR 32 -11.913 6.341 -11.776 197 HH TYR 32 HH TYR 32 -13.773 7.388 -10.707 198 H ILE 33 H ILE 33 -6.943 2.119 -10.307 199 HA ILE 33 HA ILE 33 -5.616 1.450 -7.726 200 HB ILE 33 HB ILE 33 -6.756 -0.229 -9.238 201 1HG1 ILE 33 2HG1 ILE 33 -3.880 -1.005 -9.139 202 2HG1 ILE 33 1HG1 ILE 33 -4.621 -0.517 -7.614 203 1HG2 ILE 33 1HG2 ILE 33 -6.025 -0.604 -11.372 204 2HG2 ILE 33 2HG2 ILE 33 -4.344 -0.268 -10.964 205 3HG2 ILE 33 3HG2 ILE 33 -5.467 1.063 -11.244 206 1HD1 ILE 33 1HD1 ILE 33 -4.988 -2.864 -7.763 207 2HD1 ILE 33 2HD1 ILE 33 -5.462 -2.757 -9.459 208 3HD1 ILE 33 3HD1 ILE 33 -6.527 -2.123 -8.203 209 H ALA 34 H ALA 34 -3.467 1.797 -7.386 210 HA ALA 34 HA ALA 34 -1.672 2.470 -9.644 211 1HB ALA 34 1HB ALA 34 -2.160 4.670 -9.258 212 2HB ALA 34 2HB ALA 34 -1.093 4.479 -7.867 213 3HB ALA 34 3HB ALA 34 -2.839 4.333 -7.666 214 H GLN 35 H GLN 35 0.624 2.479 -8.894 215 HA GLN 35 HA GLN 35 0.958 0.926 -6.352 216 1HB GLN 35 2HB GLN 35 2.831 -0.181 -7.501 217 2HB GLN 35 1HB GLN 35 1.352 -0.339 -8.448 218 1HG GLN 35 2HG GLN 35 2.036 1.388 -9.965 219 2HG GLN 35 1HG GLN 35 3.378 1.855 -8.923 220 1HE2 GLN 35 1HE2 GLN 35 4.481 -0.650 -8.277 221 2HE2 GLN 35 2HE2 GLN 35 5.058 -1.394 -9.691 222 H CYS 36 H CYS 36 2.353 1.769 -4.867 223 HA CYS 36 HA CYS 36 4.349 3.817 -5.710 224 1HB CYS 36 2HB CYS 36 2.568 4.273 -3.315 225 2HB CYS 36 1HB CYS 36 3.484 5.457 -4.239 226 H ALA 37 H ALA 37 5.562 4.443 -3.477 227 HA ALA 37 HA ALA 37 5.825 2.128 -1.662 228 1HB ALA 37 1HB ALA 37 8.012 1.580 -2.330 229 2HB ALA 37 2HB ALA 37 8.270 3.148 -3.094 230 3HB ALA 37 3HB ALA 37 7.240 1.947 -3.871 231 HA PRO 38 HA PRO 38 6.817 5.389 1.085 232 1HB PRO 38 2HB PRO 38 8.404 4.105 2.901 233 2HB PRO 38 1HB PRO 38 6.649 3.897 2.815 234 1HG PRO 38 2HG PRO 38 8.813 2.121 1.805 235 2HG PRO 38 1HG PRO 38 7.252 1.697 2.529 236 1HD PRO 38 2HD PRO 38 7.754 1.619 -0.170 237 2HD PRO 38 1HD PRO 38 6.137 1.846 0.534 238 H VAL 39 H VAL 39 8.508 6.853 1.592 239 HA VAL 39 HA VAL 39 11.192 6.230 0.398 240 HB VAL 39 HB VAL 39 9.773 7.571 -1.132 241 1HG1 VAL 39 1HG1 VAL 39 8.248 8.757 0.123 242 2HG1 VAL 39 2HG1 VAL 39 9.443 10.024 -0.151 243 3HG1 VAL 39 3HG1 VAL 39 9.424 9.143 1.378 244 1HG2 VAL 39 1HG2 VAL 39 12.325 7.991 -0.707 245 2HG2 VAL 39 2HG2 VAL 39 11.776 9.483 0.057 246 3HG2 VAL 39 3HG2 VAL 39 11.411 9.176 -1.640 247 H GLY 40 H GLY 40 12.770 8.061 1.192 248 1HA GLY 40 2HA GLY 40 13.012 7.956 3.998 249 2HA GLY 40 1HA GLY 40 13.811 9.162 2.987 250 H GLY 41 H GLY 41 11.034 10.027 2.025 251 1HA GLY 41 2HA GLY 41 10.538 11.862 4.293 252 2HA GLY 41 1HA GLY 41 9.984 12.111 2.644 253 H GLN 42 H GLN 42 8.314 10.508 1.873 254 HA GLN 42 HA GLN 42 6.620 9.456 4.095 255 1HB GLN 42 2HB GLN 42 6.134 11.689 2.250 256 2HB GLN 42 1HB GLN 42 4.831 10.498 2.251 257 1HG GLN 42 2HG GLN 42 5.867 11.202 4.929 258 2HG GLN 42 1HG GLN 42 5.048 12.514 4.081 259 1HE2 GLN 42 1HE2 GLN 42 4.598 9.194 5.307 260 2HE2 GLN 42 2HE2 GLN 42 2.901 9.241 5.289 261 H ASP 43 H ASP 43 6.104 9.796 0.568 262 HA ASP 43 HA ASP 43 6.623 6.955 0.068 263 1HB ASP 43 2HB ASP 43 3.928 8.061 0.666 264 2HB ASP 43 1HB ASP 43 4.024 6.913 -0.670 265 H ALA 44 H ALA 44 7.513 7.064 -1.962 266 HA ALA 44 HA ALA 44 6.630 9.176 -3.861 267 1HB ALA 44 1HB ALA 44 9.002 7.516 -3.320 268 2HB ALA 44 2HB ALA 44 8.903 9.125 -4.037 269 3HB ALA 44 3HB ALA 44 8.637 7.697 -5.034 270 H CYS 45 H CYS 45 5.340 8.640 -5.641 271 HA CYS 45 HA CYS 45 4.788 5.712 -6.044 272 1HB CYS 45 2HB CYS 45 2.976 7.282 -5.209 273 2HB CYS 45 1HB CYS 45 3.050 8.069 -6.787 274 H ASN 46 H ASN 46 4.121 5.153 -8.329 275 HA ASN 46 HA ASN 46 5.874 6.604 -10.284 276 1HB ASN 46 2HB ASN 46 6.131 4.109 -9.598 277 2HB ASN 46 1HB ASN 46 4.691 3.845 -10.582 278 1HD2 ASN 46 1HD2 ASN 46 5.930 2.635 -12.200 279 2HD2 ASN 46 2HD2 ASN 46 6.994 3.427 -13.260 280 HA PRO 47 HA PRO 47 1.857 7.785 -11.932 281 1HB PRO 47 2HB PRO 47 2.838 9.659 -13.664 282 2HB PRO 47 1HB PRO 47 2.599 9.972 -11.933 283 1HG PRO 47 2HG PRO 47 5.104 9.341 -13.412 284 2HG PRO 47 1HG PRO 47 4.842 10.448 -12.055 285 1HD PRO 47 2HD PRO 47 5.941 7.949 -11.798 286 2HD PRO 47 1HD PRO 47 5.075 8.794 -10.494 287 H ALA 48 H ALA 48 4.732 6.726 -13.637 288 HA ALA 48 HA ALA 48 3.675 6.493 -16.285 289 1HB ALA 48 1HB ALA 48 6.026 6.363 -15.883 290 2HB ALA 48 2HB ALA 48 5.551 4.752 -16.420 291 3HB ALA 48 3HB ALA 48 5.822 5.065 -14.707 292 H THR 49 H THR 49 2.781 4.813 -13.457 293 HA THR 49 HA THR 49 1.642 2.576 -15.105 294 HB THR 49 HB THR 49 1.787 1.469 -12.695 295 HG1 THR 49 HG1 THR 49 3.909 2.382 -11.875 296 1HG2 THR 49 1HG2 THR 49 3.643 0.337 -13.465 297 2HG2 THR 49 2HG2 THR 49 4.441 1.808 -14.021 298 3HG2 THR 49 3HG2 THR 49 3.124 1.109 -14.963 299 H ALA 50 H ALA 50 0.345 5.160 -14.515 300 HA ALA 50 HA ALA 50 -1.598 4.635 -12.367 301 1HB ALA 50 1HB ALA 50 -1.711 6.797 -14.467 302 2HB ALA 50 2HB ALA 50 -0.534 6.866 -13.155 303 3HB ALA 50 3HB ALA 50 -2.260 6.867 -12.793 304 H THR 51 H THR 51 -3.622 3.748 -12.673 305 HA THR 51 HA THR 51 -4.943 3.829 -15.295 306 HB THR 51 HB THR 51 -3.323 1.975 -15.494 307 HG1 THR 51 HG1 THR 51 -5.287 1.693 -16.523 308 1HG2 THR 51 1HG2 THR 51 -2.899 1.197 -13.341 309 2HG2 THR 51 2HG2 THR 51 -3.964 -0.064 -13.963 310 3HG2 THR 51 3HG2 THR 51 -4.607 1.188 -12.901 311 H SER 52 H SER 52 -7.183 3.062 -15.144 312 HA SER 52 HA SER 52 -8.151 2.670 -12.330 313 1HB SER 52 2HB SER 52 -8.761 4.866 -12.750 314 2HB SER 52 1HB SER 52 -8.887 4.608 -14.486 315 HG SER 52 HG SER 52 -10.903 4.038 -14.240 316 H PHE 53 H PHE 53 -10.281 1.582 -12.231 317 HA PHE 53 HA PHE 53 -11.164 0.146 -14.678 318 1HB PHE 53 2HB PHE 53 -10.904 -2.017 -13.537 319 2HB PHE 53 1HB PHE 53 -9.354 -1.177 -13.583 320 HD1 PHE 53 HD1 PHE 53 -11.653 -2.862 -11.497 321 HD2 PHE 53 HD2 PHE 53 -8.895 0.432 -11.520 322 HE1 PHE 53 HE1 PHE 53 -11.535 -2.944 -9.020 323 HE2 PHE 53 HE2 PHE 53 -8.776 0.350 -9.044 324 HZ PHE 53 HZ PHE 53 -10.096 -1.338 -7.793 325 H THR 54 H THR 54 -13.135 -1.368 -13.868 326 HA THR 54 HA THR 54 -14.625 -0.072 -11.650 327 HB THR 54 HB THR 54 -15.669 -0.349 -14.482 328 HG1 THR 54 HG1 THR 54 -15.148 1.707 -14.746 329 1HG2 THR 54 1HG2 THR 54 -17.265 -0.414 -12.446 330 2HG2 THR 54 2HG2 THR 54 -17.620 0.743 -13.729 331 3HG2 THR 54 3HG2 THR 54 -16.845 1.286 -12.242 332 H THR 55 H THR 55 -16.492 -1.375 -10.954 333 HA THR 55 HA THR 55 -15.994 -4.243 -11.131 334 HB THR 55 HB THR 55 -18.288 -4.162 -9.874 335 HG1 THR 55 HG1 THR 55 -18.617 -2.018 -9.043 336 1HG2 THR 55 1HG2 THR 55 -16.350 -4.521 -8.584 337 2HG2 THR 55 2HG2 THR 55 -17.068 -3.077 -7.870 338 3HG2 THR 55 3HG2 THR 55 -15.695 -2.928 -8.966 339 H ASP 56 H ASP 56 -18.635 -5.294 -11.309 340 HA ASP 56 HA ASP 56 -19.834 -4.375 -13.854 341 1HB ASP 56 2HB ASP 56 -17.635 -6.011 -13.989 342 2HB ASP 56 1HB ASP 56 -18.949 -7.186 -14.006 343 H ALA 57 H ALA 57 -20.963 -7.006 -14.445 344 HA ALA 57 HA ALA 57 -23.292 -6.975 -12.806 345 1HB ALA 57 1HB ALA 57 -23.957 -8.652 -14.250 346 2HB ALA 57 2HB ALA 57 -22.408 -9.488 -14.135 347 3HB ALA 57 3HB ALA 57 -22.564 -8.063 -15.159 348 H SER 58 H SER 58 -20.459 -9.111 -12.783 349 HA SER 58 HA SER 58 -21.370 -10.474 -10.342 350 1HB SER 58 2HB SER 58 -20.120 -11.483 -12.328 351 2HB SER 58 1HB SER 58 -18.699 -10.605 -11.775 352 HG SER 58 HG SER 58 -19.171 -11.688 -9.683 353 H GLY 59 H GLY 59 -20.368 -7.468 -10.709 354 1HA GLY 59 2HA GLY 59 -19.049 -5.947 -9.494 355 2HA GLY 59 1HA GLY 59 -19.569 -6.914 -8.115 356 H ALA 60 H ALA 60 -17.496 -7.922 -10.819 357 HA ALA 60 HA ALA 60 -15.274 -8.274 -8.844 358 1HB ALA 60 1HB ALA 60 -14.938 -10.259 -10.733 359 2HB ALA 60 2HB ALA 60 -16.693 -10.157 -10.600 360 3HB ALA 60 3HB ALA 60 -15.717 -10.484 -9.166 361 H ALA 61 H ALA 61 -13.443 -7.209 -9.478 362 HA ALA 61 HA ALA 61 -13.188 -6.455 -12.366 363 1HB ALA 61 1HB ALA 61 -11.456 -4.876 -10.907 364 2HB ALA 61 2HB ALA 61 -12.783 -5.128 -9.774 365 3HB ALA 61 3HB ALA 61 -13.098 -4.420 -11.359 366 H SER 62 H SER 62 -12.082 -8.433 -12.972 367 HA SER 62 HA SER 62 -9.432 -8.914 -11.660 368 1HB SER 62 2HB SER 62 -10.046 -10.908 -13.565 369 2HB SER 62 1HB SER 62 -10.179 -11.046 -11.815 370 HG SER 62 HG SER 62 -12.118 -10.917 -13.672 371 H PHE 63 H PHE 63 -7.750 -7.931 -12.713 372 HA PHE 63 HA PHE 63 -7.618 -8.107 -15.681 373 1HB PHE 63 2HB PHE 63 -7.097 -5.610 -15.703 374 2HB PHE 63 1HB PHE 63 -8.769 -6.029 -15.335 375 HD1 PHE 63 HD1 PHE 63 -5.871 -4.258 -14.220 376 HD2 PHE 63 HD2 PHE 63 -9.389 -6.289 -12.817 377 HE1 PHE 63 HE1 PHE 63 -5.698 -3.064 -12.051 378 HE2 PHE 63 HE2 PHE 63 -9.214 -5.098 -10.650 379 HZ PHE 63 HZ PHE 63 -7.369 -3.486 -10.267 380 H SER 64 H SER 64 -5.416 -7.223 -16.446 381 HA SER 64 HA SER 64 -3.310 -8.128 -14.530 382 1HB SER 64 2HB SER 64 -3.836 -8.851 -17.059 383 2HB SER 64 1HB SER 64 -2.782 -7.482 -17.396 384 HG SER 64 HG SER 64 -1.317 -8.501 -15.832 385 H PHE 65 H PHE 65 -1.988 -6.642 -13.617 386 HA PHE 65 HA PHE 65 -1.904 -3.869 -14.751 387 1HB PHE 65 2HB PHE 65 -2.943 -4.082 -12.535 388 2HB PHE 65 1HB PHE 65 -1.557 -4.994 -11.944 389 HD1 PHE 65 HD1 PHE 65 -2.187 -1.750 -13.741 390 HD2 PHE 65 HD2 PHE 65 -0.041 -3.814 -10.644 391 HE1 PHE 65 HE1 PHE 65 -1.052 0.365 -13.113 392 HE2 PHE 65 HE2 PHE 65 1.090 -1.701 -10.018 393 HZ PHE 65 HZ PHE 65 0.586 0.384 -11.254 394 H VAL 66 H VAL 66 0.371 -2.827 -13.902 395 HA VAL 66 HA VAL 66 2.515 -4.876 -14.358 396 HB VAL 66 HB VAL 66 2.649 -2.016 -15.297 397 1HG1 VAL 66 1HG1 VAL 66 3.906 -3.703 -17.102 398 2HG1 VAL 66 2HG1 VAL 66 4.231 -4.467 -15.546 399 3HG1 VAL 66 3HG1 VAL 66 4.709 -2.792 -15.824 400 1HG2 VAL 66 1HG2 VAL 66 1.753 -2.719 -17.462 401 2HG2 VAL 66 2HG2 VAL 66 0.565 -3.064 -16.205 402 3HG2 VAL 66 3HG2 VAL 66 1.548 -4.367 -16.869 403 H VAL 67 H VAL 67 4.576 -4.330 -13.349 404 HA VAL 67 HA VAL 67 4.534 -2.115 -11.361 405 HB VAL 67 HB VAL 67 5.129 -3.719 -9.575 406 1HG1 VAL 67 1HG1 VAL 67 2.741 -3.153 -10.034 407 2HG1 VAL 67 2HG1 VAL 67 2.937 -4.770 -9.359 408 3HG1 VAL 67 3HG1 VAL 67 2.638 -4.564 -11.086 409 1HG2 VAL 67 1HG2 VAL 67 4.342 -6.065 -11.197 410 2HG2 VAL 67 2HG2 VAL 67 5.610 -5.914 -9.980 411 3HG2 VAL 67 3HG2 VAL 67 5.898 -5.356 -11.629 412 H ARG 68 H ARG 68 6.700 -1.616 -10.559 413 HA ARG 68 HA ARG 68 8.907 -2.853 -12.164 414 1HB ARG 68 2HB ARG 68 7.938 -0.083 -11.905 415 2HB ARG 68 1HB ARG 68 9.685 -0.257 -11.727 416 1HG ARG 68 2HG ARG 68 8.511 -1.824 -13.935 417 2HG ARG 68 1HG ARG 68 8.406 -0.074 -14.134 418 1HD ARG 68 2HD ARG 68 10.990 -0.377 -13.218 419 2HD ARG 68 1HD ARG 68 10.777 -1.815 -14.238 420 HE ARG 68 HE ARG 68 10.103 0.934 -15.214 421 1HH1 ARG 68 1HH1 ARG 68 10.390 -2.326 -16.000 422 2HH1 ARG 68 2HH1 ARG 68 11.279 -2.070 -17.465 423 1HH2 ARG 68 1HH2 ARG 68 11.709 1.327 -16.920 424 2HH2 ARG 68 2HH2 ARG 68 12.025 -0.001 -17.986 425 H LYS 69 H LYS 69 10.930 -2.985 -11.062 426 HA LYS 69 HA LYS 69 10.763 -3.221 -8.165 427 1HB LYS 69 2HB LYS 69 12.101 -4.577 -9.921 428 2HB LYS 69 1HB LYS 69 13.254 -3.246 -9.865 429 1HG LYS 69 2HG LYS 69 13.783 -3.627 -7.609 430 2HG LYS 69 1HG LYS 69 12.303 -4.548 -7.325 431 1HD LYS 69 2HD LYS 69 13.154 -6.477 -8.269 432 2HD LYS 69 1HD LYS 69 14.232 -5.594 -9.352 433 1HE LYS 69 2HE LYS 69 15.767 -5.100 -7.546 434 2HE LYS 69 1HE LYS 69 14.627 -5.742 -6.343 435 1HZ LYS 69 1HZ LYS 69 15.373 -7.440 -8.611 436 2HZ LYS 69 2HZ LYS 69 14.947 -7.883 -7.027 437 3HZ LYS 69 3HZ LYS 69 16.495 -7.261 -7.354 438 H SER 70 H SER 70 12.918 -1.246 -10.255 439 HA SER 70 HA SER 70 13.034 0.765 -8.029 440 1HB SER 70 2HB SER 70 15.055 0.087 -10.181 441 2HB SER 70 1HB SER 70 15.299 1.231 -8.864 442 HG SER 70 HG SER 70 14.667 -0.749 -7.537 443 H TYR 71 H TYR 71 12.503 2.886 -8.560 444 HA TYR 71 HA TYR 71 12.532 3.807 -11.354 445 1HB TYR 71 2HB TYR 71 10.107 4.103 -11.483 446 2HB TYR 71 1HB TYR 71 10.466 2.414 -11.123 447 HD1 TYR 71 HD1 TYR 71 9.225 5.605 -9.742 448 HD2 TYR 71 HD2 TYR 71 9.978 1.451 -8.944 449 HE1 TYR 71 HE1 TYR 71 7.878 5.760 -7.665 450 HE2 TYR 71 HE2 TYR 71 8.632 1.606 -6.866 451 HH TYR 71 HH TYR 71 6.959 4.623 -5.979 452 H THR 72 H THR 72 12.271 6.109 -11.475 453 HA THR 72 HA THR 72 13.029 7.587 -9.119 454 HB THR 72 HB THR 72 11.854 8.540 -11.747 455 HG1 THR 72 HG1 THR 72 14.554 8.074 -11.025 456 1HG2 THR 72 1HG2 THR 72 13.873 10.259 -10.805 457 2HG2 THR 72 2HG2 THR 72 12.878 9.882 -9.398 458 3HG2 THR 72 3HG2 THR 72 12.139 10.578 -10.840 459 H GLY 73 H GLY 73 11.729 8.598 -7.617 460 1HA GLY 73 2HA GLY 73 8.788 8.632 -8.168 461 2HA GLY 73 1HA GLY 73 9.461 8.329 -6.568 462 H SER 74 H SER 74 7.815 10.287 -6.341 463 HA SER 74 HA SER 74 9.364 12.618 -5.679 464 1HB SER 74 2HB SER 74 9.036 12.344 -8.370 465 2HB SER 74 1HB SER 74 7.611 13.298 -7.975 466 HG SER 74 HG SER 74 9.002 14.886 -8.027 467 H THR 75 H THR 75 8.108 13.900 -4.318 468 HA THR 75 HA THR 75 5.442 12.999 -3.622 469 HB THR 75 HB THR 75 5.594 14.926 -2.060 470 HG1 THR 75 HG1 THR 75 6.752 16.514 -2.758 471 1HG2 THR 75 1HG2 THR 75 6.787 13.515 -0.802 472 2HG2 THR 75 2HG2 THR 75 8.261 14.037 -1.617 473 3HG2 THR 75 3HG2 THR 75 7.334 12.680 -2.255 474 HA PRO 76 HA PRO 76 3.265 15.589 -6.407 475 1HB PRO 76 2HB PRO 76 0.790 15.312 -5.307 476 2HB PRO 76 1HB PRO 76 1.576 14.028 -6.240 477 1HG PRO 76 2HG PRO 76 1.204 14.276 -3.319 478 2HG PRO 76 1HG PRO 76 1.305 12.827 -4.330 479 1HD PRO 76 2HD PRO 76 3.359 13.868 -2.740 480 2HD PRO 76 1HD PRO 76 3.544 12.659 -4.027 481 H GLU 77 H GLU 77 3.510 16.139 -3.007 482 HA GLU 77 HA GLU 77 1.955 18.584 -2.847 483 1HB GLU 77 2HB GLU 77 4.141 17.315 -1.173 484 2HB GLU 77 1HB GLU 77 3.270 18.767 -0.680 485 1HG GLU 77 2HG GLU 77 1.125 17.364 -1.118 486 2HG GLU 77 1HG GLU 77 2.207 15.973 -1.047 487 H GLY 78 H GLY 78 5.029 17.831 -4.172 488 1HA GLY 78 2HA GLY 78 6.172 19.541 -5.519 489 2HA GLY 78 1HA GLY 78 5.649 20.746 -4.342 490 H THR 79 H THR 79 7.508 17.676 -4.325 491 HA THR 79 HA THR 79 9.823 19.002 -3.127 492 HB THR 79 HB THR 79 8.040 17.159 -1.507 493 HG1 THR 79 HG1 THR 79 7.712 18.969 -0.274 494 1HG2 THR 79 1HG2 THR 79 9.998 18.261 0.145 495 2HG2 THR 79 2HG2 THR 79 10.875 17.793 -1.312 496 3HG2 THR 79 3HG2 THR 79 9.934 16.593 -0.425 497 HA PRO 80 HA PRO 80 10.843 15.197 -5.430 498 1HB PRO 80 2HB PRO 80 13.282 16.113 -6.284 499 2HB PRO 80 1HB PRO 80 11.760 16.490 -7.120 500 1HG PRO 80 2HG PRO 80 13.338 18.162 -5.219 501 2HG PRO 80 1HG PRO 80 12.486 18.635 -6.698 502 1HD PRO 80 2HD PRO 80 11.474 19.056 -4.205 503 2HD PRO 80 1HD PRO 80 10.452 18.790 -5.635 504 H VAL 81 H VAL 81 12.126 13.493 -4.637 505 HA VAL 81 HA VAL 81 13.940 14.162 -2.343 506 HB VAL 81 HB VAL 81 11.919 13.073 -1.599 507 1HG1 VAL 81 1HG1 VAL 81 12.526 11.058 -3.785 508 2HG1 VAL 81 2HG1 VAL 81 11.157 12.169 -3.727 509 3HG1 VAL 81 3HG1 VAL 81 11.273 10.851 -2.562 510 1HG2 VAL 81 1HG2 VAL 81 12.966 11.517 -0.298 511 2HG2 VAL 81 2HG2 VAL 81 14.425 12.112 -1.091 512 3HG2 VAL 81 3HG2 VAL 81 13.627 10.657 -1.689 513 H GLY 82 H GLY 82 13.423 12.097 -5.173 514 1HA GLY 82 2HA GLY 82 15.794 11.845 -6.314 515 2HA GLY 82 1HA GLY 82 16.134 10.950 -4.836 516 H SER 83 H SER 83 16.406 8.957 -5.903 517 HA SER 83 HA SER 83 14.204 7.891 -7.566 518 1HB SER 83 2HB SER 83 15.798 6.117 -7.993 519 2HB SER 83 1HB SER 83 16.667 7.647 -8.054 520 HG SER 83 HG SER 83 16.933 7.128 -5.647 521 H VAL 84 H VAL 84 13.461 5.596 -7.040 522 HA VAL 84 HA VAL 84 13.311 5.114 -4.081 523 HB VAL 84 HB VAL 84 11.123 5.123 -6.180 524 1HG1 VAL 84 1HG1 VAL 84 10.882 3.207 -4.616 525 2HG1 VAL 84 2HG1 VAL 84 9.616 4.410 -4.374 526 3HG1 VAL 84 3HG1 VAL 84 10.975 4.323 -3.254 527 1HG2 VAL 84 1HG2 VAL 84 12.066 7.244 -4.873 528 2HG2 VAL 84 2HG2 VAL 84 11.047 6.611 -3.579 529 3HG2 VAL 84 3HG2 VAL 84 10.337 7.037 -5.134 530 H ASP 85 H ASP 85 14.242 3.121 -3.768 531 HA ASP 85 HA ASP 85 14.067 1.086 -5.942 532 1HB ASP 85 2HB ASP 85 15.967 0.095 -4.810 533 2HB ASP 85 1HB ASP 85 16.251 1.833 -4.901 534 H CYS 86 H CYS 86 13.044 -0.904 -5.585 535 HA CYS 86 HA CYS 86 11.364 -1.092 -3.133 536 1HB CYS 86 2HB CYS 86 10.644 -1.298 -5.650 537 2HB CYS 86 1HB CYS 86 11.287 -2.935 -5.513 538 H ALA 87 H ALA 87 14.394 -1.844 -3.566 539 HA ALA 87 HA ALA 87 14.427 -4.737 -3.075 540 1HB ALA 87 1HB ALA 87 16.165 -2.766 -4.015 541 2HB ALA 87 2HB ALA 87 16.588 -4.447 -3.693 542 3HB ALA 87 3HB ALA 87 16.845 -3.220 -2.452 543 H THR 88 H THR 88 15.579 -1.929 -1.154 544 HA THR 88 HA THR 88 15.599 -3.510 1.309 545 HB THR 88 HB THR 88 17.248 -1.756 0.848 546 HG1 THR 88 HG1 THR 88 17.097 -1.687 2.944 547 1HG2 THR 88 1HG2 THR 88 14.837 -0.282 0.129 548 2HG2 THR 88 2HG2 THR 88 16.513 0.025 -0.322 549 3HG2 THR 88 3HG2 THR 88 15.883 0.641 1.206 550 H ALA 89 H ALA 89 13.379 -1.352 -0.313 551 HA ALA 89 HA ALA 89 11.664 -1.164 2.106 552 1HB ALA 89 1HB ALA 89 11.542 0.165 -0.619 553 2HB ALA 89 2HB ALA 89 12.239 0.879 0.835 554 3HB ALA 89 3HB ALA 89 10.506 0.558 0.753 555 H ALA 90 H ALA 90 9.239 -0.828 0.575 556 HA ALA 90 HA ALA 90 8.868 -3.469 -0.763 557 1HB ALA 90 1HB ALA 90 7.296 -4.172 0.786 558 2HB ALA 90 2HB ALA 90 6.866 -2.525 1.246 559 3HB ALA 90 3HB ALA 90 8.363 -3.244 1.837 560 H CYS 91 H CYS 91 7.191 -3.424 -2.306 561 HA CYS 91 HA CYS 91 6.177 -0.714 -2.955 562 1HB CYS 91 2HB CYS 91 6.466 -3.341 -4.417 563 2HB CYS 91 1HB CYS 91 5.555 -2.000 -5.107 564 H ASN 92 H ASN 92 4.066 -0.209 -2.487 565 HA ASN 92 HA ASN 92 2.214 -2.461 -1.812 566 1HB ASN 92 2HB ASN 92 2.368 0.451 -0.992 567 2HB ASN 92 1HB ASN 92 1.039 -0.617 -0.536 568 1HD2 ASN 92 1HD2 ASN 92 3.979 0.548 0.578 569 2HD2 ASN 92 2HD2 ASN 92 4.372 -0.703 1.658 570 H LEU 93 H LEU 93 0.673 -2.854 -3.329 571 HA LEU 93 HA LEU 93 -0.116 -0.663 -5.213 572 1HB LEU 93 2HB LEU 93 0.785 -2.613 -6.306 573 2HB LEU 93 1HB LEU 93 -0.173 -3.696 -5.298 574 HG LEU 93 HG LEU 93 -2.136 -2.153 -6.429 575 1HD1 LEU 93 1HD1 LEU 93 -0.658 -0.952 -7.906 576 2HD1 LEU 93 2HD1 LEU 93 -1.544 -2.120 -8.886 577 3HD1 LEU 93 3HD1 LEU 93 0.127 -2.446 -8.421 578 1HD2 LEU 93 1HD2 LEU 93 -2.223 -4.566 -6.315 579 2HD2 LEU 93 2HD2 LEU 93 -0.860 -4.718 -7.425 580 3HD2 LEU 93 3HD2 LEU 93 -2.410 -4.112 -8.009 581 H GLY 94 H GLY 94 -2.063 0.294 -4.655 582 1HA GLY 94 2HA GLY 94 -4.203 -1.507 -3.601 583 2HA GLY 94 1HA GLY 94 -3.836 -0.016 -2.738 584 H ALA 95 H ALA 95 -6.345 -0.135 -3.492 585 HA ALA 95 HA ALA 95 -6.533 1.863 -5.682 586 1HB ALA 95 1HB ALA 95 -8.598 0.062 -6.220 587 2HB ALA 95 2HB ALA 95 -7.219 -0.970 -5.844 588 3HB ALA 95 3HB ALA 95 -7.100 0.222 -7.137 589 H GLY 96 H GLY 96 -8.989 2.513 -5.849 590 1HA GLY 96 2HA GLY 96 -11.104 2.278 -4.327 591 2HA GLY 96 1HA GLY 96 -9.994 2.799 -3.058 592 H ASN 97 H ASN 97 -12.218 4.360 -3.583 593 HA ASN 97 HA ASN 97 -10.979 6.752 -4.866 594 1HB ASN 97 2HB ASN 97 -12.931 7.124 -6.120 595 2HB ASN 97 1HB ASN 97 -12.819 5.366 -6.138 596 1HD2 ASN 97 1HD2 ASN 97 -15.096 7.679 -5.838 597 2HD2 ASN 97 2HD2 ASN 97 -16.160 6.935 -4.745 598 H SER 98 H SER 98 -13.352 8.353 -4.276 599 HA SER 98 HA SER 98 -12.950 8.655 -1.342 600 1HB SER 98 2HB SER 98 -12.418 10.665 -2.383 601 2HB SER 98 1HB SER 98 -13.601 10.428 -3.666 602 HG SER 98 HG SER 98 -14.286 10.863 -0.944 603 H GLY 99 H GLY 99 -14.537 6.853 -0.968 604 1HA GLY 99 2HA GLY 99 -17.006 7.583 -0.058 605 2HA GLY 99 1HA GLY 99 -17.317 7.322 -1.775 606 H LEU 100 H LEU 100 -15.042 5.189 -1.610 607 HA LEU 100 HA LEU 100 -16.561 3.070 -0.150 608 1HB LEU 100 2HB LEU 100 -17.143 3.349 -2.641 609 2HB LEU 100 1HB LEU 100 -15.522 2.729 -2.959 610 HG LEU 100 HG LEU 100 -16.215 0.816 -1.309 611 1HD1 LEU 100 1HD1 LEU 100 -18.404 2.159 -0.845 612 2HD1 LEU 100 2HD1 LEU 100 -18.516 0.411 -1.049 613 3HD1 LEU 100 3HD1 LEU 100 -18.951 1.483 -2.379 614 1HD2 LEU 100 1HD2 LEU 100 -17.770 0.250 -3.655 615 2HD2 LEU 100 2HD2 LEU 100 -16.154 -0.326 -3.247 616 3HD2 LEU 100 3HD2 LEU 100 -16.354 1.189 -4.126 617 H ASP 101 H ASP 101 -13.786 3.156 -2.392 618 HA ASP 101 HA ASP 101 -11.522 2.557 -2.030 619 1HB ASP 101 2HB ASP 101 -12.299 3.883 0.188 620 2HB ASP 101 1HB ASP 101 -11.979 2.302 0.901 621 H LEU 102 H LEU 102 -10.336 0.572 -1.670 622 HA LEU 102 HA LEU 102 -12.063 -1.754 -0.887 623 1HB LEU 102 2HB LEU 102 -10.049 -1.301 -3.085 624 2HB LEU 102 1HB LEU 102 -10.471 -2.934 -2.566 625 HG LEU 102 HG LEU 102 -12.529 -0.871 -3.383 626 1HD1 LEU 102 1HD1 LEU 102 -11.390 -1.227 -5.397 627 2HD1 LEU 102 2HD1 LEU 102 -12.626 -2.483 -5.446 628 3HD1 LEU 102 3HD1 LEU 102 -10.974 -2.890 -4.982 629 1HD2 LEU 102 1HD2 LEU 102 -13.809 -3.107 -3.734 630 2HD2 LEU 102 2HD2 LEU 102 -13.577 -2.538 -2.082 631 3HD2 LEU 102 3HD2 LEU 102 -12.546 -3.816 -2.727 632 H GLY 103 H GLY 103 -8.641 -1.824 -1.695 633 1HA GLY 103 2HA GLY 103 -7.696 -1.776 1.043 634 2HA GLY 103 1HA GLY 103 -7.816 -3.426 0.433 635 H HIS 104 H HIS 104 -5.437 -3.459 0.684 636 HA HIS 104 HA HIS 104 -4.110 -2.691 -1.831 637 1HB HIS 104 2HB HIS 104 -2.433 -1.305 -0.660 638 2HB HIS 104 1HB HIS 104 -4.055 -0.654 -0.424 639 HD1 HIS 104 HD1 HIS 104 -1.249 -2.344 1.386 640 HD2 HIS 104 HD2 HIS 104 -5.096 -0.976 2.225 641 HE1 HIS 104 HE1 HIS 104 -1.488 -2.379 3.909 642 H VAL 105 H VAL 105 -2.434 -4.131 -2.259 643 HA VAL 105 HA VAL 105 -1.809 -6.137 -0.133 644 HB VAL 105 HB VAL 105 -1.476 -6.144 -3.148 645 1HG1 VAL 105 1HG1 VAL 105 -1.097 -8.600 -2.793 646 2HG1 VAL 105 2HG1 VAL 105 -1.044 -8.297 -1.057 647 3HG1 VAL 105 3HG1 VAL 105 0.179 -7.590 -2.111 648 1HG2 VAL 105 1HG2 VAL 105 -3.291 -8.097 -1.994 649 2HG2 VAL 105 2HG2 VAL 105 -3.600 -6.902 -3.255 650 3HG2 VAL 105 3HG2 VAL 105 -3.772 -6.457 -1.556 651 H ALA 106 H ALA 106 0.210 -6.079 0.776 652 HA ALA 106 HA ALA 106 2.203 -4.147 -0.148 653 1HB ALA 106 1HB ALA 106 2.716 -6.291 1.882 654 2HB ALA 106 2HB ALA 106 1.505 -5.061 2.244 655 3HB ALA 106 3HB ALA 106 3.174 -4.589 1.921 656 H LEU 107 H LEU 107 2.903 -4.915 -2.224 657 HA LEU 107 HA LEU 107 3.623 -7.594 -2.864 658 1HB LEU 107 2HB LEU 107 4.720 -4.947 -3.872 659 2HB LEU 107 1HB LEU 107 4.847 -6.492 -4.714 660 HG LEU 107 HG LEU 107 2.202 -5.248 -3.924 661 1HD1 LEU 107 1HD1 LEU 107 2.019 -4.326 -6.095 662 2HD1 LEU 107 2HD1 LEU 107 3.373 -5.275 -6.706 663 3HD1 LEU 107 3HD1 LEU 107 3.666 -3.929 -5.604 664 1HD2 LEU 107 1HD2 LEU 107 2.681 -7.817 -4.514 665 2HD2 LEU 107 2HD2 LEU 107 2.585 -7.195 -6.161 666 3HD2 LEU 107 3HD2 LEU 107 1.218 -7.003 -5.064 667 H THR 108 H THR 108 5.973 -8.257 -3.344 668 HA THR 108 HA THR 108 7.917 -7.124 -1.378 669 HB THR 108 HB THR 108 7.338 -10.079 -1.730 670 HG1 THR 108 HG1 THR 108 6.066 -9.931 0.045 671 1HG2 THR 108 1HG2 THR 108 9.211 -8.438 -0.128 672 2HG2 THR 108 2HG2 THR 108 9.374 -10.098 -0.700 673 3HG2 THR 108 3HG2 THR 108 8.418 -9.751 0.740 674 H PHE 109 H PHE 109 10.166 -8.096 -1.828 675 HA PHE 109 HA PHE 109 10.507 -8.961 -4.664 676 1HB PHE 109 2HB PHE 109 11.318 -6.422 -3.344 677 2HB PHE 109 1HB PHE 109 12.510 -7.157 -4.421 678 HD1 PHE 109 HD1 PHE 109 11.872 -7.693 -6.800 679 HD2 PHE 109 HD2 PHE 109 9.359 -5.370 -4.203 680 HE1 PHE 109 HE1 PHE 109 10.609 -6.860 -8.766 681 HE2 PHE 109 HE2 PHE 109 8.097 -4.536 -6.168 682 HZ PHE 109 HZ PHE 109 8.719 -5.286 -8.450 683 H GLY 110 H GLY 110 11.286 -11.011 -3.966 684 1HA GLY 110 2HA GLY 110 13.867 -10.908 -2.452 685 2HA GLY 110 1HA GLY 110 12.680 -12.186 -2.183 Start of MODEL 24 1 1H ALA 1 1H ALA 1 -17.233 -5.764 4.718 2 2H ALA 1 2H ALA 1 -16.222 -7.036 4.225 3 3H ALA 1 3H ALA 1 -17.649 -6.703 3.366 4 HA ALA 1 HA ALA 1 -16.605 -4.387 2.972 5 1HB ALA 1 1HB ALA 1 -13.990 -5.026 2.913 6 2HB ALA 1 2HB ALA 1 -14.503 -6.092 4.221 7 3HB ALA 1 3HB ALA 1 -14.756 -4.351 4.350 8 HA PRO 2 HA PRO 2 -16.246 -6.009 -1.084 9 1HB PRO 2 2HB PRO 2 -14.309 -4.457 -2.244 10 2HB PRO 2 1HB PRO 2 -15.946 -3.863 -1.886 11 1HG PRO 2 2HG PRO 2 -13.412 -3.464 -0.360 12 2HG PRO 2 1HG PRO 2 -14.728 -2.323 -0.683 13 1HD PRO 2 2HD PRO 2 -14.440 -3.610 1.697 14 2HD PRO 2 1HD PRO 2 -16.018 -3.109 1.049 15 H ALA 3 H ALA 3 -13.962 -6.243 -2.763 16 HA ALA 3 HA ALA 3 -12.043 -7.886 -1.166 17 1HB ALA 3 1HB ALA 3 -13.209 -8.859 -3.764 18 2HB ALA 3 2HB ALA 3 -14.075 -9.112 -2.250 19 3HB ALA 3 3HB ALA 3 -12.464 -9.797 -2.470 20 H PHE 4 H PHE 4 -9.962 -7.662 -1.867 21 HA PHE 4 HA PHE 4 -9.376 -6.767 -4.637 22 1HB PHE 4 2HB PHE 4 -9.715 -4.689 -3.419 23 2HB PHE 4 1HB PHE 4 -8.700 -5.255 -2.092 24 HD1 PHE 4 HD1 PHE 4 -8.568 -4.679 -5.796 25 HD2 PHE 4 HD2 PHE 4 -6.432 -4.678 -2.068 26 HE1 PHE 4 HE1 PHE 4 -6.564 -3.780 -6.946 27 HE2 PHE 4 HE2 PHE 4 -4.428 -3.778 -3.219 28 HZ PHE 4 HZ PHE 4 -4.494 -3.330 -5.658 29 H SER 5 H SER 5 -7.957 -8.468 -5.142 30 HA SER 5 HA SER 5 -5.572 -8.758 -3.372 31 1HB SER 5 2HB SER 5 -5.934 -11.260 -3.482 32 2HB SER 5 1HB SER 5 -7.138 -10.387 -2.539 33 HG SER 5 HG SER 5 -7.545 -10.786 -5.289 34 H VAL 6 H VAL 6 -3.812 -9.953 -4.428 35 HA VAL 6 HA VAL 6 -4.026 -10.054 -7.417 36 HB VAL 6 HB VAL 6 -2.870 -8.026 -6.444 37 1HG1 VAL 6 1HG1 VAL 6 -1.783 -9.872 -4.699 38 2HG1 VAL 6 2HG1 VAL 6 -1.195 -8.224 -4.929 39 3HG1 VAL 6 3HG1 VAL 6 -0.446 -9.558 -5.807 40 1HG2 VAL 6 1HG2 VAL 6 -2.334 -8.984 -8.708 41 2HG2 VAL 6 2HG2 VAL 6 -1.032 -9.908 -7.958 42 3HG2 VAL 6 3HG2 VAL 6 -0.974 -8.145 -7.962 43 H SER 7 H SER 7 -2.948 -11.848 -8.363 44 HA SER 7 HA SER 7 -2.517 -14.188 -6.824 45 1HB SER 7 2HB SER 7 -1.923 -13.206 -9.561 46 2HB SER 7 1HB SER 7 -1.020 -14.624 -9.039 47 HG SER 7 HG SER 7 -3.386 -14.656 -9.998 48 HA PRO 8 HA PRO 8 2.168 -13.496 -6.771 49 1HB PRO 8 2HB PRO 8 3.296 -11.446 -8.173 50 2HB PRO 8 1HB PRO 8 2.961 -13.034 -8.894 51 1HG PRO 8 2HG PRO 8 1.449 -10.486 -9.144 52 2HG PRO 8 1HG PRO 8 1.738 -11.753 -10.346 53 1HD PRO 8 2HD PRO 8 -0.620 -11.447 -8.958 54 2HD PRO 8 1HD PRO 8 -0.060 -12.973 -9.676 55 H ALA 9 H ALA 9 1.704 -12.741 -4.609 56 HA ALA 9 HA ALA 9 1.592 -9.782 -4.232 57 1HB ALA 9 1HB ALA 9 1.286 -11.557 -1.907 58 2HB ALA 9 2HB ALA 9 0.139 -11.893 -3.204 59 3HB ALA 9 3HB ALA 9 0.216 -10.282 -2.491 60 H SER 10 H SER 10 3.875 -12.214 -4.285 61 HA SER 10 HA SER 10 5.803 -10.560 -2.787 62 1HB SER 10 2HB SER 10 4.464 -12.126 -1.215 63 2HB SER 10 1HB SER 10 5.378 -13.434 -1.960 64 HG SER 10 HG SER 10 7.022 -12.858 -0.793 65 H GLY 11 H GLY 11 7.348 -10.494 -4.390 66 1HA GLY 11 2HA GLY 11 9.312 -11.682 -5.293 67 2HA GLY 11 1HA GLY 11 8.298 -13.116 -5.457 68 H LEU 12 H LEU 12 8.179 -9.698 -6.539 69 HA LEU 12 HA LEU 12 7.157 -10.683 -9.175 70 1HB LEU 12 2HB LEU 12 7.066 -7.955 -7.845 71 2HB LEU 12 1HB LEU 12 6.282 -8.379 -9.368 72 HG LEU 12 HG LEU 12 5.518 -10.330 -7.431 73 1HD1 LEU 12 1HD1 LEU 12 5.803 -9.026 -5.550 74 2HD1 LEU 12 2HD1 LEU 12 4.210 -8.455 -6.047 75 3HD1 LEU 12 3HD1 LEU 12 5.648 -7.515 -6.446 76 1HD2 LEU 12 1HD2 LEU 12 3.933 -8.013 -8.589 77 2HD2 LEU 12 2HD2 LEU 12 3.284 -9.539 -7.987 78 3HD2 LEU 12 3HD2 LEU 12 4.263 -9.514 -9.453 79 H SER 13 H SER 13 7.965 -9.375 -11.085 80 HA SER 13 HA SER 13 10.827 -8.611 -10.706 81 1HB SER 13 2HB SER 13 10.693 -10.611 -11.985 82 2HB SER 13 1HB SER 13 9.305 -10.028 -12.896 83 HG SER 13 HG SER 13 11.989 -9.615 -13.284 84 H ASP 14 H ASP 14 11.542 -6.724 -11.805 85 HA ASP 14 HA ASP 14 9.696 -4.588 -12.141 86 1HB ASP 14 2HB ASP 14 11.994 -4.132 -11.714 87 2HB ASP 14 1HB ASP 14 12.519 -5.138 -13.064 88 H GLY 15 H GLY 15 8.189 -4.388 -13.744 89 1HA GLY 15 2HA GLY 15 7.648 -4.024 -16.079 90 2HA GLY 15 1HA GLY 15 8.959 -5.121 -16.512 91 H GLN 16 H GLN 16 8.235 -7.178 -14.590 92 HA GLN 16 HA GLN 16 6.595 -8.867 -16.090 93 1HB GLN 16 2HB GLN 16 8.030 -9.313 -14.032 94 2HB GLN 16 1HB GLN 16 6.668 -8.745 -13.068 95 1HG GLN 16 2HG GLN 16 5.252 -10.465 -14.341 96 2HG GLN 16 1HG GLN 16 6.779 -11.147 -14.899 97 1HE2 GLN 16 1HE2 GLN 16 4.793 -12.395 -13.032 98 2HE2 GLN 16 2HE2 GLN 16 5.644 -12.700 -11.596 99 H SER 17 H SER 17 4.344 -9.442 -15.922 100 HA SER 17 HA SER 17 2.608 -7.186 -15.012 101 1HB SER 17 2HB SER 17 2.445 -9.364 -17.076 102 2HB SER 17 1HB SER 17 0.980 -8.553 -16.535 103 HG SER 17 HG SER 17 2.267 -7.662 -18.409 104 H VAL 18 H VAL 18 1.204 -7.543 -13.322 105 HA VAL 18 HA VAL 18 1.118 -10.270 -12.133 106 HB VAL 18 HB VAL 18 0.225 -8.947 -10.181 107 1HG1 VAL 18 1HG1 VAL 18 2.814 -7.885 -11.353 108 2HG1 VAL 18 2HG1 VAL 18 2.658 -9.422 -10.503 109 3HG1 VAL 18 3HG1 VAL 18 2.365 -7.909 -9.647 110 1HG2 VAL 18 1HG2 VAL 18 -0.414 -7.074 -12.072 111 2HG2 VAL 18 2HG2 VAL 18 1.093 -6.408 -11.441 112 3HG2 VAL 18 3HG2 VAL 18 -0.259 -6.717 -10.352 113 H SER 19 H SER 19 -1.150 -10.600 -10.967 114 HA SER 19 HA SER 19 -3.297 -9.953 -12.957 115 1HB SER 19 2HB SER 19 -2.572 -12.427 -11.414 116 2HB SER 19 1HB SER 19 -4.218 -12.195 -11.994 117 HG SER 19 HG SER 19 -2.090 -13.031 -13.344 118 H VAL 20 H VAL 20 -4.721 -8.568 -12.035 119 HA VAL 20 HA VAL 20 -5.077 -8.598 -9.080 120 HB VAL 20 HB VAL 20 -5.549 -6.633 -11.318 121 1HG1 VAL 20 1HG1 VAL 20 -6.437 -5.110 -9.482 122 2HG1 VAL 20 2HG1 VAL 20 -6.605 -6.553 -8.481 123 3HG1 VAL 20 3HG1 VAL 20 -7.528 -6.406 -9.978 124 1HG2 VAL 20 1HG2 VAL 20 -4.263 -5.781 -8.832 125 2HG2 VAL 20 2HG2 VAL 20 -3.691 -5.643 -10.494 126 3HG2 VAL 20 3HG2 VAL 20 -3.433 -7.138 -9.594 127 H SER 21 H SER 21 -7.192 -8.736 -8.201 128 HA SER 21 HA SER 21 -9.408 -9.372 -10.095 129 1HB SER 21 2HB SER 21 -7.866 -11.233 -8.611 130 2HB SER 21 1HB SER 21 -9.445 -11.161 -7.837 131 HG SER 21 HG SER 21 -10.381 -11.845 -9.660 132 H VAL 22 H VAL 22 -11.217 -8.296 -9.458 133 HA VAL 22 HA VAL 22 -11.422 -7.403 -6.599 134 HB VAL 22 HB VAL 22 -12.314 -6.200 -9.229 135 1HG1 VAL 22 1HG1 VAL 22 -14.066 -5.487 -7.911 136 2HG1 VAL 22 2HG1 VAL 22 -12.878 -4.259 -7.480 137 3HG1 VAL 22 3HG1 VAL 22 -13.144 -5.641 -6.416 138 1HG2 VAL 22 1HG2 VAL 22 -10.644 -4.616 -8.899 139 2HG2 VAL 22 2HG2 VAL 22 -9.882 -6.046 -8.202 140 3HG2 VAL 22 3HG2 VAL 22 -10.631 -4.843 -7.150 141 H SER 23 H SER 23 -13.478 -7.658 -5.589 142 HA SER 23 HA SER 23 -15.817 -8.586 -7.066 143 1HB SER 23 2HB SER 23 -15.702 -10.837 -5.750 144 2HB SER 23 1HB SER 23 -14.701 -10.656 -7.188 145 HG SER 23 HG SER 23 -13.943 -11.133 -4.683 146 H GLY 24 H GLY 24 -17.438 -7.620 -5.901 147 1HA GLY 24 2HA GLY 24 -18.646 -7.936 -3.653 148 2HA GLY 24 1HA GLY 24 -17.113 -7.443 -2.933 149 H ALA 25 H ALA 25 -17.466 -5.745 -5.779 150 HA ALA 25 HA ALA 25 -18.475 -3.367 -4.291 151 1HB ALA 25 1HB ALA 25 -17.368 -2.331 -6.488 152 2HB ALA 25 2HB ALA 25 -16.551 -3.895 -6.517 153 3HB ALA 25 3HB ALA 25 -16.377 -2.833 -5.119 154 H ALA 26 H ALA 26 -18.843 -5.149 -7.342 155 HA ALA 26 HA ALA 26 -20.744 -5.328 -8.755 156 1HB ALA 26 1HB ALA 26 -21.761 -4.940 -6.304 157 2HB ALA 26 2HB ALA 26 -22.785 -4.960 -7.740 158 3HB ALA 26 3HB ALA 26 -22.273 -3.421 -7.044 159 H ALA 27 H ALA 27 -21.552 -4.149 -10.492 160 HA ALA 27 HA ALA 27 -20.158 -1.978 -11.516 161 1HB ALA 27 1HB ALA 27 -23.096 -2.199 -12.019 162 2HB ALA 27 2HB ALA 27 -22.085 -3.597 -12.385 163 3HB ALA 27 3HB ALA 27 -21.772 -2.051 -13.175 164 H GLY 28 H GLY 28 -20.160 0.198 -11.139 165 1HA GLY 28 2HA GLY 28 -21.804 2.132 -10.674 166 2HA GLY 28 1HA GLY 28 -22.165 1.231 -9.207 167 H GLU 29 H GLU 29 -18.936 0.719 -9.818 168 HA GLU 29 HA GLU 29 -18.058 3.234 -8.497 169 1HB GLU 29 2HB GLU 29 -18.038 0.440 -7.393 170 2HB GLU 29 1HB GLU 29 -16.801 1.589 -6.884 171 1HG GLU 29 2HG GLU 29 -19.754 2.247 -6.799 172 2HG GLU 29 1HG GLU 29 -18.909 1.509 -5.438 173 H THR 30 H THR 30 -16.136 3.883 -9.332 174 HA THR 30 HA THR 30 -14.622 2.022 -11.088 175 HB THR 30 HB THR 30 -13.940 4.909 -10.689 176 HG1 THR 30 HG1 THR 30 -15.722 5.287 -12.253 177 1HG2 THR 30 1HG2 THR 30 -13.204 4.770 -12.864 178 2HG2 THR 30 2HG2 THR 30 -14.462 3.623 -13.326 179 3HG2 THR 30 3HG2 THR 30 -13.055 3.071 -12.417 180 H TYR 31 H TYR 31 -12.112 2.344 -10.880 181 HA TYR 31 HA TYR 31 -11.258 3.000 -8.121 182 1HB TYR 31 2HB TYR 31 -11.074 0.264 -9.405 183 2HB TYR 31 1HB TYR 31 -10.247 0.711 -7.911 184 HD1 TYR 31 HD1 TYR 31 -11.864 1.985 -6.152 185 HD2 TYR 31 HD2 TYR 31 -13.144 -0.783 -9.181 186 HE1 TYR 31 HE1 TYR 31 -13.941 1.540 -4.869 187 HE2 TYR 31 HE2 TYR 31 -15.219 -1.226 -7.895 188 HH TYR 31 HH TYR 31 -16.238 0.722 -5.317 189 H TYR 32 H TYR 32 -8.800 2.642 -7.945 190 HA TYR 32 HA TYR 32 -7.397 2.925 -10.553 191 1HB TYR 32 2HB TYR 32 -7.223 4.866 -8.229 192 2HB TYR 32 1HB TYR 32 -6.362 5.006 -9.764 193 HD1 TYR 32 HD1 TYR 32 -9.710 5.068 -8.166 194 HD2 TYR 32 HD2 TYR 32 -7.460 5.787 -11.755 195 HE1 TYR 32 HE1 TYR 32 -11.673 6.203 -9.169 196 HE2 TYR 32 HE2 TYR 32 -9.423 6.925 -12.757 197 HH TYR 32 HH TYR 32 -11.675 8.209 -11.435 198 H ILE 33 H ILE 33 -5.971 1.221 -10.359 199 HA ILE 33 HA ILE 33 -4.816 0.538 -7.725 200 HB ILE 33 HB ILE 33 -5.647 -1.159 -9.349 201 1HG1 ILE 33 2HG1 ILE 33 -2.691 -1.581 -9.288 202 2HG1 ILE 33 1HG1 ILE 33 -3.519 -1.365 -7.745 203 1HG2 ILE 33 1HG2 ILE 33 -5.075 -0.020 -11.428 204 2HG2 ILE 33 2HG2 ILE 33 -4.264 -1.585 -11.379 205 3HG2 ILE 33 3HG2 ILE 33 -3.359 -0.112 -11.039 206 1HD1 ILE 33 1HD1 ILE 33 -3.298 -3.772 -8.857 207 2HD1 ILE 33 2HD1 ILE 33 -4.731 -3.236 -9.733 208 3HD1 ILE 33 3HD1 ILE 33 -4.749 -3.305 -7.971 209 H ALA 34 H ALA 34 -2.782 1.144 -7.078 210 HA ALA 34 HA ALA 34 -0.775 1.973 -9.115 211 1HB ALA 34 1HB ALA 34 -2.056 3.989 -8.604 212 2HB ALA 34 2HB ALA 34 -0.456 4.126 -7.876 213 3HB ALA 34 3HB ALA 34 -1.848 3.715 -6.874 214 H GLN 35 H GLN 35 1.389 2.382 -8.012 215 HA GLN 35 HA GLN 35 1.649 0.773 -5.489 216 1HB GLN 35 2HB GLN 35 3.691 -0.157 -6.465 217 2HB GLN 35 1HB GLN 35 2.351 -0.396 -7.587 218 1HG GLN 35 2HG GLN 35 3.103 1.895 -8.593 219 2HG GLN 35 1HG GLN 35 4.623 1.569 -7.759 220 1HE2 GLN 35 1HE2 GLN 35 5.978 0.937 -9.483 221 2HE2 GLN 35 2HE2 GLN 35 5.627 -0.343 -10.542 222 H CYS 36 H CYS 36 3.052 1.667 -3.930 223 HA CYS 36 HA CYS 36 4.678 4.043 -4.716 224 1HB CYS 36 2HB CYS 36 3.115 4.232 -2.175 225 2HB CYS 36 1HB CYS 36 3.547 5.500 -3.312 226 H ALA 37 H ALA 37 6.347 4.553 -3.133 227 HA ALA 37 HA ALA 37 6.837 2.524 -1.004 228 1HB ALA 37 1HB ALA 37 9.272 3.139 -2.437 229 2HB ALA 37 2HB ALA 37 8.052 2.566 -3.575 230 3HB ALA 37 3HB ALA 37 8.512 1.565 -2.197 231 HA PRO 38 HA PRO 38 8.197 6.087 1.165 232 1HB PRO 38 2HB PRO 38 10.160 5.046 2.764 233 2HB PRO 38 1HB PRO 38 8.431 4.783 3.046 234 1HG PRO 38 2HG PRO 38 10.429 2.985 1.752 235 2HG PRO 38 1HG PRO 38 9.122 2.587 2.880 236 1HD PRO 38 2HD PRO 38 8.916 2.174 0.205 237 2HD PRO 38 1HD PRO 38 7.515 2.574 1.228 238 H VAL 39 H VAL 39 10.036 7.557 1.377 239 HA VAL 39 HA VAL 39 12.337 6.928 -0.429 240 HB VAL 39 HB VAL 39 12.162 9.279 -1.224 241 1HG1 VAL 39 1HG1 VAL 39 10.504 8.815 -2.791 242 2HG1 VAL 39 2HG1 VAL 39 9.443 8.063 -1.596 243 3HG1 VAL 39 3HG1 VAL 39 10.862 7.200 -2.183 244 1HG2 VAL 39 1HG2 VAL 39 9.424 9.675 -0.329 245 2HG2 VAL 39 2HG2 VAL 39 10.804 10.767 -0.213 246 3HG2 VAL 39 3HG2 VAL 39 10.532 9.550 1.034 247 H GLY 40 H GLY 40 13.575 9.399 -0.008 248 1HA GLY 40 2HA GLY 40 14.624 8.943 2.702 249 2HA GLY 40 1HA GLY 40 15.319 10.026 1.494 250 H GLY 41 H GLY 41 11.895 10.089 2.400 251 1HA GLY 41 2HA GLY 41 12.141 12.186 4.359 252 2HA GLY 41 1HA GLY 41 11.814 12.884 2.779 253 H GLN 42 H GLN 42 9.990 11.212 1.674 254 HA GLN 42 HA GLN 42 7.802 10.853 3.666 255 1HB GLN 42 2HB GLN 42 7.792 12.529 1.137 256 2HB GLN 42 1HB GLN 42 6.319 12.081 2.000 257 1HG GLN 42 2HG GLN 42 8.416 13.198 3.729 258 2HG GLN 42 1HG GLN 42 7.805 14.329 2.528 259 1HE2 GLN 42 1HE2 GLN 42 5.718 15.203 2.867 260 2HE2 GLN 42 2HE2 GLN 42 4.705 14.747 4.149 261 H ASP 43 H ASP 43 5.800 10.340 1.682 262 HA ASP 43 HA ASP 43 6.786 7.728 0.612 263 1HB ASP 43 2HB ASP 43 4.802 8.136 2.297 264 2HB ASP 43 1HB ASP 43 3.910 8.570 0.838 265 H ALA 44 H ALA 44 7.123 7.664 -1.579 266 HA ALA 44 HA ALA 44 5.670 9.662 -3.283 267 1HB ALA 44 1HB ALA 44 8.043 8.144 -4.254 268 2HB ALA 44 2HB ALA 44 8.324 9.307 -2.959 269 3HB ALA 44 3HB ALA 44 7.628 9.842 -4.490 270 H CYS 45 H CYS 45 4.414 8.886 -4.989 271 HA CYS 45 HA CYS 45 4.383 5.909 -5.391 272 1HB CYS 45 2HB CYS 45 2.452 7.088 -4.147 273 2HB CYS 45 1HB CYS 45 2.038 7.788 -5.711 274 H ASN 46 H ASN 46 4.252 5.194 -7.549 275 HA ASN 46 HA ASN 46 5.152 7.006 -9.622 276 1HB ASN 46 2HB ASN 46 5.557 4.497 -9.330 277 2HB ASN 46 1HB ASN 46 3.919 4.264 -9.940 278 1HD2 ASN 46 1HD2 ASN 46 6.809 3.819 -11.123 279 2HD2 ASN 46 2HD2 ASN 46 6.683 4.497 -12.674 280 HA PRO 47 HA PRO 47 1.002 8.268 -10.667 281 1HB PRO 47 2HB PRO 47 1.721 10.276 -12.362 282 2HB PRO 47 1HB PRO 47 1.780 10.438 -10.597 283 1HG PRO 47 2HG PRO 47 3.986 10.080 -12.526 284 2HG PRO 47 1HG PRO 47 3.988 10.856 -10.937 285 1HD PRO 47 2HD PRO 47 4.942 8.271 -11.549 286 2HD PRO 47 1HD PRO 47 4.700 8.958 -9.929 287 H ALA 48 H ALA 48 3.556 7.799 -13.095 288 HA ALA 48 HA ALA 48 1.909 7.580 -15.406 289 1HB ALA 48 1HB ALA 48 4.515 7.687 -14.957 290 2HB ALA 48 2HB ALA 48 3.894 6.908 -16.414 291 3HB ALA 48 3HB ALA 48 4.379 5.930 -15.027 292 H THR 49 H THR 49 3.321 4.928 -13.469 293 HA THR 49 HA THR 49 1.980 2.784 -14.736 294 HB THR 49 HB THR 49 2.338 1.783 -12.331 295 HG1 THR 49 HG1 THR 49 2.522 3.613 -11.156 296 1HG2 THR 49 1HG2 THR 49 4.585 2.892 -14.033 297 2HG2 THR 49 2HG2 THR 49 3.821 1.310 -14.200 298 3HG2 THR 49 3HG2 THR 49 4.794 1.674 -12.774 299 H ALA 50 H ALA 50 0.683 5.248 -12.707 300 HA ALA 50 HA ALA 50 -1.428 3.938 -11.359 301 1HB ALA 50 1HB ALA 50 -0.632 6.328 -11.175 302 2HB ALA 50 2HB ALA 50 -2.386 6.160 -11.253 303 3HB ALA 50 3HB ALA 50 -1.484 6.664 -12.683 304 H THR 51 H THR 51 -3.407 3.147 -12.025 305 HA THR 51 HA THR 51 -4.430 3.794 -14.734 306 HB THR 51 HB THR 51 -2.912 1.802 -14.865 307 HG1 THR 51 HG1 THR 51 -4.510 1.800 -16.351 308 1HG2 THR 51 1HG2 THR 51 -4.981 0.316 -13.274 309 2HG2 THR 51 2HG2 THR 51 -3.626 1.107 -12.465 310 3HG2 THR 51 3HG2 THR 51 -3.326 -0.157 -13.656 311 H SER 52 H SER 52 -6.752 2.922 -14.955 312 HA SER 52 HA SER 52 -8.040 2.615 -12.261 313 1HB SER 52 2HB SER 52 -9.443 4.075 -14.432 314 2HB SER 52 1HB SER 52 -9.435 4.383 -12.700 315 HG SER 52 HG SER 52 -7.602 5.141 -14.686 316 H PHE 53 H PHE 53 -10.003 1.395 -12.231 317 HA PHE 53 HA PHE 53 -10.902 0.072 -14.730 318 1HB PHE 53 2HB PHE 53 -10.663 -2.149 -13.534 319 2HB PHE 53 1HB PHE 53 -9.131 -1.367 -13.914 320 HD1 PHE 53 HD1 PHE 53 -11.424 -2.394 -11.249 321 HD2 PHE 53 HD2 PHE 53 -7.823 -0.228 -12.142 322 HE1 PHE 53 HE1 PHE 53 -10.815 -2.415 -8.844 323 HE2 PHE 53 HE2 PHE 53 -7.216 -0.248 -9.739 324 HZ PHE 53 HZ PHE 53 -8.709 -1.344 -8.089 325 H THR 54 H THR 54 -13.110 -0.604 -14.561 326 HA THR 54 HA THR 54 -14.496 0.261 -12.064 327 HB THR 54 HB THR 54 -15.437 -0.092 -14.920 328 HG1 THR 54 HG1 THR 54 -14.676 1.842 -15.062 329 1HG2 THR 54 1HG2 THR 54 -16.856 0.516 -12.356 330 2HG2 THR 54 2HG2 THR 54 -17.384 -0.471 -13.720 331 3HG2 THR 54 3HG2 THR 54 -17.415 1.289 -13.839 332 H THR 55 H THR 55 -16.223 -1.096 -11.236 333 HA THR 55 HA THR 55 -15.654 -3.918 -11.261 334 HB THR 55 HB THR 55 -18.073 -3.829 -10.191 335 HG1 THR 55 HG1 THR 55 -18.433 -1.654 -9.466 336 1HG2 THR 55 1HG2 THR 55 -16.717 -2.315 -8.308 337 2HG2 THR 55 2HG2 THR 55 -15.416 -3.036 -9.258 338 3HG2 THR 55 3HG2 THR 55 -16.614 -4.069 -8.481 339 H ASP 56 H ASP 56 -18.326 -5.027 -11.549 340 HA ASP 56 HA ASP 56 -19.123 -4.396 -14.348 341 1HB ASP 56 2HB ASP 56 -17.204 -6.312 -13.786 342 2HB ASP 56 1HB ASP 56 -18.685 -7.264 -13.907 343 H ALA 57 H ALA 57 -20.668 -6.754 -14.732 344 HA ALA 57 HA ALA 57 -23.066 -6.129 -13.335 345 1HB ALA 57 1HB ALA 57 -22.745 -7.383 -15.511 346 2HB ALA 57 2HB ALA 57 -23.891 -8.136 -14.403 347 3HB ALA 57 3HB ALA 57 -22.252 -8.775 -14.549 348 H SER 58 H SER 58 -20.853 -8.868 -12.873 349 HA SER 58 HA SER 58 -22.148 -9.568 -10.330 350 1HB SER 58 2HB SER 58 -21.441 -11.432 -11.565 351 2HB SER 58 1HB SER 58 -19.975 -10.627 -12.125 352 HG SER 58 HG SER 58 -19.481 -12.157 -10.531 353 H GLY 59 H GLY 59 -20.357 -7.025 -11.036 354 1HA GLY 59 2HA GLY 59 -18.884 -5.653 -9.839 355 2HA GLY 59 1HA GLY 59 -19.335 -6.583 -8.411 356 H ALA 60 H ALA 60 -17.955 -8.144 -11.212 357 HA ALA 60 HA ALA 60 -15.503 -8.708 -9.590 358 1HB ALA 60 1HB ALA 60 -15.582 -10.843 -10.465 359 2HB ALA 60 2HB ALA 60 -16.294 -10.301 -11.984 360 3HB ALA 60 3HB ALA 60 -17.297 -10.446 -10.542 361 H ALA 61 H ALA 61 -13.825 -7.459 -10.279 362 HA ALA 61 HA ALA 61 -13.575 -6.936 -13.219 363 1HB ALA 61 1HB ALA 61 -12.894 -5.328 -10.753 364 2HB ALA 61 2HB ALA 61 -13.970 -4.885 -12.072 365 3HB ALA 61 3HB ALA 61 -12.226 -4.926 -12.333 366 H SER 62 H SER 62 -12.339 -8.883 -13.521 367 HA SER 62 HA SER 62 -9.728 -9.057 -12.090 368 1HB SER 62 2HB SER 62 -9.769 -11.357 -12.912 369 2HB SER 62 1HB SER 62 -11.333 -10.990 -12.192 370 HG SER 62 HG SER 62 -11.588 -11.978 -14.218 371 H PHE 63 H PHE 63 -7.928 -8.345 -13.180 372 HA PHE 63 HA PHE 63 -7.798 -8.629 -16.124 373 1HB PHE 63 2HB PHE 63 -7.278 -6.147 -16.287 374 2HB PHE 63 1HB PHE 63 -8.950 -6.536 -15.881 375 HD1 PHE 63 HD1 PHE 63 -5.762 -5.212 -14.625 376 HD2 PHE 63 HD2 PHE 63 -9.829 -6.166 -13.617 377 HE1 PHE 63 HE1 PHE 63 -5.550 -3.891 -12.536 378 HE2 PHE 63 HE2 PHE 63 -9.616 -4.844 -11.525 379 HZ PHE 63 HZ PHE 63 -7.475 -3.705 -10.984 380 H SER 64 H SER 64 -5.594 -7.635 -16.883 381 HA SER 64 HA SER 64 -3.490 -8.592 -14.993 382 1HB SER 64 2HB SER 64 -3.901 -9.361 -17.451 383 2HB SER 64 1HB SER 64 -3.149 -7.832 -17.893 384 HG SER 64 HG SER 64 -1.495 -9.257 -17.734 385 H PHE 65 H PHE 65 -2.157 -7.143 -14.039 386 HA PHE 65 HA PHE 65 -2.089 -4.328 -15.077 387 1HB PHE 65 2HB PHE 65 -3.238 -4.575 -12.934 388 2HB PHE 65 1HB PHE 65 -1.897 -5.519 -12.289 389 HD1 PHE 65 HD1 PHE 65 -0.385 -4.411 -10.923 390 HD2 PHE 65 HD2 PHE 65 -2.454 -2.196 -13.969 391 HE1 PHE 65 HE1 PHE 65 0.721 -2.329 -10.160 392 HE2 PHE 65 HE2 PHE 65 -1.344 -0.112 -13.202 393 HZ PHE 65 HZ PHE 65 0.243 -0.184 -11.299 394 H VAL 66 H VAL 66 0.100 -3.250 -14.155 395 HA VAL 66 HA VAL 66 2.317 -5.242 -14.518 396 HB VAL 66 HB VAL 66 2.452 -2.355 -15.355 397 1HG1 VAL 66 1HG1 VAL 66 4.569 -3.364 -15.443 398 2HG1 VAL 66 2HG1 VAL 66 3.978 -3.547 -17.095 399 3HG1 VAL 66 3HG1 VAL 66 3.911 -4.910 -15.979 400 1HG2 VAL 66 1HG2 VAL 66 0.917 -4.564 -16.596 401 2HG2 VAL 66 2HG2 VAL 66 1.972 -3.672 -17.694 402 3HG2 VAL 66 3HG2 VAL 66 0.725 -2.821 -16.782 403 H VAL 67 H VAL 67 4.276 -4.742 -13.371 404 HA VAL 67 HA VAL 67 4.004 -2.677 -11.214 405 HB VAL 67 HB VAL 67 4.811 -4.311 -9.623 406 1HG1 VAL 67 1HG1 VAL 67 2.434 -4.486 -9.999 407 2HG1 VAL 67 2HG1 VAL 67 3.067 -6.130 -9.905 408 3HG1 VAL 67 3HG1 VAL 67 2.681 -5.421 -11.474 409 1HG2 VAL 67 1HG2 VAL 67 5.261 -5.990 -12.101 410 2HG2 VAL 67 2HG2 VAL 67 5.233 -6.687 -10.482 411 3HG2 VAL 67 3HG2 VAL 67 6.453 -5.486 -10.904 412 H ARG 68 H ARG 68 6.271 -2.305 -10.185 413 HA ARG 68 HA ARG 68 8.506 -2.813 -12.080 414 1HB ARG 68 2HB ARG 68 6.977 -0.401 -11.883 415 2HB ARG 68 1HB ARG 68 8.604 -0.076 -11.284 416 1HG ARG 68 2HG ARG 68 8.966 0.252 -13.544 417 2HG ARG 68 1HG ARG 68 9.289 -1.479 -13.446 418 1HD ARG 68 2HD ARG 68 7.578 -1.891 -14.872 419 2HD ARG 68 1HD ARG 68 6.451 -1.063 -13.778 420 HE ARG 68 HE ARG 68 6.909 1.016 -14.932 421 1HH1 ARG 68 1HH2 ARG 68 9.703 -0.489 -15.624 422 2HH1 ARG 68 2HH2 ARG 68 9.659 -0.278 -17.342 423 1HH2 ARG 68 1HH1 ARG 68 6.352 0.762 -17.396 424 2HH2 ARG 68 2HH1 ARG 68 7.762 0.430 -18.346 425 H LYS 69 H LYS 69 10.460 -3.010 -10.992 426 HA LYS 69 HA LYS 69 10.430 -3.104 -8.075 427 1HB LYS 69 2HB LYS 69 11.679 -4.613 -9.692 428 2HB LYS 69 1HB LYS 69 12.761 -3.255 -10.002 429 1HG LYS 69 2HG LYS 69 12.390 -3.668 -7.149 430 2HG LYS 69 1HG LYS 69 13.003 -5.125 -7.934 431 1HD LYS 69 2HD LYS 69 14.345 -2.778 -8.975 432 2HD LYS 69 1HD LYS 69 14.487 -2.841 -7.218 433 1HE LYS 69 2HE LYS 69 15.389 -5.111 -7.321 434 2HE LYS 69 1HE LYS 69 15.145 -5.151 -9.080 435 1HZ LYS 69 1HZ LYS 69 16.601 -3.275 -9.331 436 2HZ LYS 69 2HZ LYS 69 17.421 -4.482 -8.459 437 3HZ LYS 69 3HZ LYS 69 16.785 -3.128 -7.652 438 H SER 70 H SER 70 12.115 -1.089 -10.502 439 HA SER 70 HA SER 70 12.562 0.948 -8.345 440 1HB SER 70 2HB SER 70 14.292 -0.245 -10.459 441 2HB SER 70 1HB SER 70 14.525 1.465 -10.115 442 HG SER 70 HG SER 70 14.789 -0.769 -8.400 443 H TYR 71 H TYR 71 11.839 3.005 -8.840 444 HA TYR 71 HA TYR 71 11.456 3.877 -11.612 445 1HB TYR 71 2HB TYR 71 9.020 4.020 -11.433 446 2HB TYR 71 1HB TYR 71 9.534 2.361 -11.123 447 HD1 TYR 71 HD1 TYR 71 8.088 5.394 -9.684 448 HD2 TYR 71 HD2 TYR 71 9.599 1.470 -8.810 449 HE1 TYR 71 HE1 TYR 71 7.033 5.487 -7.441 450 HE2 TYR 71 HE2 TYR 71 8.543 1.563 -6.568 451 HH TYR 71 HH TYR 71 6.374 4.166 -5.665 452 H THR 72 H THR 72 10.847 6.155 -11.704 453 HA THR 72 HA THR 72 11.892 7.747 -9.536 454 HB THR 72 HB THR 72 10.388 8.254 -12.106 455 HG1 THR 72 HG1 THR 72 12.361 8.253 -12.780 456 1HG2 THR 72 1HG2 THR 72 11.254 10.717 -11.509 457 2HG2 THR 72 2HG2 THR 72 10.975 10.133 -9.869 458 3HG2 THR 72 3HG2 THR 72 9.652 10.152 -11.034 459 H GLY 73 H GLY 73 10.763 7.886 -7.613 460 1HA GLY 73 2HA GLY 73 7.873 7.598 -7.478 461 2HA GLY 73 1HA GLY 73 8.930 8.039 -6.136 462 H SER 74 H SER 74 6.455 9.337 -6.549 463 HA SER 74 HA SER 74 7.278 12.099 -6.536 464 1HB SER 74 2HB SER 74 6.966 10.879 -9.057 465 2HB SER 74 1HB SER 74 5.545 11.899 -8.842 466 HG SER 74 HG SER 74 7.782 12.744 -9.649 467 H THR 75 H THR 75 5.444 13.544 -6.168 468 HA THR 75 HA THR 75 3.283 12.351 -4.658 469 HB THR 75 HB THR 75 2.573 14.772 -4.574 470 HG1 THR 75 HG1 THR 75 3.369 15.155 -6.748 471 1HG2 THR 75 1HG2 THR 75 5.444 14.003 -4.080 472 2HG2 THR 75 2HG2 THR 75 4.132 14.130 -2.910 473 3HG2 THR 75 3HG2 THR 75 4.815 15.589 -3.629 474 HA PRO 76 HA PRO 76 0.234 11.943 -7.804 475 1HB PRO 76 2HB PRO 76 -2.052 12.939 -6.687 476 2HB PRO 76 1HB PRO 76 -1.322 11.397 -6.196 477 1HG PRO 76 2HG PRO 76 -1.228 14.046 -4.855 478 2HG PRO 76 1HG PRO 76 -1.292 12.423 -4.152 479 1HD PRO 76 2HD PRO 76 0.991 13.953 -4.338 480 2HD PRO 76 1HD PRO 76 0.979 12.186 -4.189 481 H GLU 77 H GLU 77 1.131 15.062 -6.781 482 HA GLU 77 HA GLU 77 -0.586 16.444 -8.762 483 1HB GLU 77 2HB GLU 77 -0.143 17.218 -6.363 484 2HB GLU 77 1HB GLU 77 1.491 17.608 -6.904 485 1HG GLU 77 2HG GLU 77 0.411 18.983 -8.762 486 2HG GLU 77 1HG GLU 77 -1.114 18.782 -7.898 487 H GLY 78 H GLY 78 2.878 16.475 -7.914 488 1HA GLY 78 2HA GLY 78 4.035 15.769 -10.312 489 2HA GLY 78 1HA GLY 78 3.619 17.468 -10.548 490 H THR 79 H THR 79 4.957 15.573 -7.815 491 HA THR 79 HA THR 79 7.205 17.555 -7.698 492 HB THR 79 HB THR 79 5.911 16.255 -5.300 493 HG1 THR 79 HG1 THR 79 4.352 17.672 -5.358 494 1HG2 THR 79 1HG2 THR 79 6.838 18.938 -4.927 495 2HG2 THR 79 2HG2 THR 79 8.104 18.015 -5.735 496 3HG2 THR 79 3HG2 THR 79 7.453 17.456 -4.194 497 HA PRO 80 HA PRO 80 9.217 13.533 -7.974 498 1HB PRO 80 2HB PRO 80 11.667 14.537 -8.646 499 2HB PRO 80 1HB PRO 80 10.357 14.315 -9.824 500 1HG PRO 80 2HG PRO 80 11.273 16.796 -8.457 501 2HG PRO 80 1HG PRO 80 10.706 16.565 -10.118 502 1HD PRO 80 2HD PRO 80 9.159 17.619 -8.119 503 2HD PRO 80 1HD PRO 80 8.501 16.761 -9.531 504 H VAL 81 H VAL 81 8.910 13.549 -5.529 505 HA VAL 81 HA VAL 81 10.658 14.852 -3.715 506 HB VAL 81 HB VAL 81 8.537 13.592 -3.232 507 1HG1 VAL 81 1HG1 VAL 81 8.828 11.105 -2.893 508 2HG1 VAL 81 2HG1 VAL 81 10.374 11.235 -3.733 509 3HG1 VAL 81 3HG1 VAL 81 8.875 11.621 -4.578 510 1HG2 VAL 81 1HG2 VAL 81 9.250 12.799 -1.067 511 2HG2 VAL 81 2HG2 VAL 81 10.269 14.180 -1.472 512 3HG2 VAL 81 3HG2 VAL 81 10.897 12.542 -1.643 513 H GLY 82 H GLY 82 11.217 12.143 -5.840 514 1HA GLY 82 2HA GLY 82 13.877 12.025 -6.016 515 2HA GLY 82 1HA GLY 82 13.675 11.362 -4.398 516 H SER 83 H SER 83 14.697 9.999 -6.787 517 HA SER 83 HA SER 83 12.807 8.251 -7.988 518 1HB SER 83 2HB SER 83 14.713 7.272 -8.840 519 2HB SER 83 1HB SER 83 15.438 8.754 -8.225 520 HG SER 83 HG SER 83 15.758 7.532 -6.224 521 H VAL 84 H VAL 84 12.844 5.775 -7.503 522 HA VAL 84 HA VAL 84 12.996 5.226 -4.570 523 HB VAL 84 HB VAL 84 10.628 4.893 -6.429 524 1HG1 VAL 84 1HG1 VAL 84 10.872 2.850 -5.092 525 2HG1 VAL 84 2HG1 VAL 84 9.505 3.793 -4.503 526 3HG1 VAL 84 3HG1 VAL 84 11.033 3.811 -3.623 527 1HG2 VAL 84 1HG2 VAL 84 10.817 7.094 -5.406 528 2HG2 VAL 84 2HG2 VAL 84 11.078 6.370 -3.821 529 3HG2 VAL 84 3HG2 VAL 84 9.511 6.215 -4.612 530 H ASP 85 H ASP 85 13.160 2.932 -4.096 531 HA ASP 85 HA ASP 85 13.571 1.119 -6.424 532 1HB ASP 85 2HB ASP 85 15.716 2.265 -5.773 533 2HB ASP 85 1HB ASP 85 15.563 1.534 -4.174 534 H CYS 86 H CYS 86 12.952 -0.986 -5.947 535 HA CYS 86 HA CYS 86 11.850 -1.465 -3.220 536 1HB CYS 86 2HB CYS 86 10.811 -1.787 -5.713 537 2HB CYS 86 1HB CYS 86 11.474 -3.399 -5.447 538 H ALA 87 H ALA 87 14.716 -1.976 -4.783 539 HA ALA 87 HA ALA 87 15.299 -4.743 -4.339 540 1HB ALA 87 1HB ALA 87 16.527 -2.398 -5.331 541 2HB ALA 87 2HB ALA 87 17.154 -4.044 -5.415 542 3HB ALA 87 3HB ALA 87 17.588 -3.003 -4.059 543 H THR 88 H THR 88 16.431 -1.915 -2.432 544 HA THR 88 HA THR 88 16.983 -3.700 -0.129 545 HB THR 88 HB THR 88 18.639 -2.046 -0.810 546 HG1 THR 88 HG1 THR 88 18.005 -2.404 1.519 547 1HG2 THR 88 1HG2 THR 88 17.430 -0.383 -1.941 548 2HG2 THR 88 2HG2 THR 88 17.924 0.430 -0.456 549 3HG2 THR 88 3HG2 THR 88 16.281 -0.190 -0.617 550 H ALA 89 H ALA 89 14.563 -1.419 -1.172 551 HA ALA 89 HA ALA 89 13.454 -1.241 1.586 552 1HB ALA 89 1HB ALA 89 13.965 0.751 0.011 553 2HB ALA 89 2HB ALA 89 12.402 0.733 0.825 554 3HB ALA 89 3HB ALA 89 12.522 0.241 -0.865 555 H ALA 90 H ALA 90 10.843 -1.002 1.304 556 HA ALA 90 HA ALA 90 9.946 -3.415 -0.243 557 1HB ALA 90 1HB ALA 90 9.081 -2.269 2.429 558 2HB ALA 90 2HB ALA 90 9.949 -3.781 2.162 559 3HB ALA 90 3HB ALA 90 8.275 -3.620 1.630 560 H CYS 91 H CYS 91 7.951 -3.209 -1.360 561 HA CYS 91 HA CYS 91 6.825 -0.431 -1.452 562 1HB CYS 91 2HB CYS 91 6.908 -2.511 -3.656 563 2HB CYS 91 1HB CYS 91 6.490 -0.805 -3.817 564 H ASN 92 H ASN 92 4.507 -0.306 -1.835 565 HA ASN 92 HA ASN 92 2.994 -2.846 -1.357 566 1HB ASN 92 2HB ASN 92 1.582 -1.439 0.230 567 2HB ASN 92 1HB ASN 92 3.223 -1.773 0.785 568 1HD2 ASN 92 1HD2 ASN 92 3.827 0.118 1.884 569 2HD2 ASN 92 2HD2 ASN 92 3.724 1.681 1.230 570 H LEU 93 H LEU 93 1.005 -2.918 -2.452 571 HA LEU 93 HA LEU 93 0.485 -0.650 -4.331 572 1HB LEU 93 2HB LEU 93 0.964 -2.907 -5.236 573 2HB LEU 93 1HB LEU 93 -0.397 -3.554 -4.319 574 HG LEU 93 HG LEU 93 -1.558 -1.446 -5.648 575 1HD1 LEU 93 1HD1 LEU 93 0.503 -2.743 -7.458 576 2HD1 LEU 93 2HD1 LEU 93 0.444 -1.043 -6.988 577 3HD1 LEU 93 3HD1 LEU 93 -0.819 -1.717 -8.017 578 1HD2 LEU 93 1HD2 LEU 93 -2.132 -3.994 -5.366 579 2HD2 LEU 93 2HD2 LEU 93 -1.367 -4.155 -6.948 580 3HD2 LEU 93 3HD2 LEU 93 -2.779 -3.115 -6.752 581 H GLY 94 H GLY 94 -1.450 0.469 -4.159 582 1HA GLY 94 2HA GLY 94 -3.547 -0.679 -2.370 583 2HA GLY 94 1HA GLY 94 -3.053 1.005 -2.206 584 H ALA 95 H ALA 95 -5.684 -0.116 -2.944 585 HA ALA 95 HA ALA 95 -6.009 1.380 -5.518 586 1HB ALA 95 1HB ALA 95 -5.905 -1.233 -5.589 587 2HB ALA 95 2HB ALA 95 -7.205 -0.420 -6.458 588 3HB ALA 95 3HB ALA 95 -7.519 -1.152 -4.885 589 H GLY 96 H GLY 96 -8.186 2.285 -5.755 590 1HA GLY 96 2HA GLY 96 -10.453 2.014 -4.272 591 2HA GLY 96 1HA GLY 96 -9.425 2.928 -3.166 592 H ASN 97 H ASN 97 -11.786 4.047 -4.133 593 HA ASN 97 HA ASN 97 -10.850 6.038 -6.151 594 1HB ASN 97 2HB ASN 97 -12.717 4.864 -7.002 595 2HB ASN 97 1HB ASN 97 -13.505 4.805 -5.425 596 1HD2 ASN 97 1HD2 ASN 97 -14.480 6.850 -4.614 597 2HD2 ASN 97 2HD2 ASN 97 -14.906 8.079 -5.705 598 H SER 98 H SER 98 -12.043 8.246 -5.786 599 HA SER 98 HA SER 98 -11.333 9.275 -3.200 600 1HB SER 98 2HB SER 98 -12.317 11.319 -4.086 601 2HB SER 98 1HB SER 98 -11.451 10.506 -5.386 602 HG SER 98 HG SER 98 -13.480 11.087 -6.128 603 H GLY 99 H GLY 99 -12.497 7.943 -1.654 604 1HA GLY 99 2HA GLY 99 -14.522 8.633 -0.199 605 2HA GLY 99 1HA GLY 99 -15.462 8.306 -1.657 606 H LEU 100 H LEU 100 -13.442 6.066 -2.237 607 HA LEU 100 HA LEU 100 -14.727 4.027 -0.458 608 1HB LEU 100 2HB LEU 100 -14.929 4.255 -3.103 609 2HB LEU 100 1HB LEU 100 -13.386 3.403 -3.061 610 HG LEU 100 HG LEU 100 -15.544 2.326 -1.328 611 1HD1 LEU 100 1HD1 LEU 100 -16.957 2.572 -3.168 612 2HD1 LEU 100 2HD1 LEU 100 -16.254 0.982 -3.464 613 3HD1 LEU 100 3HD1 LEU 100 -15.639 2.395 -4.326 614 1HD2 LEU 100 1HD2 LEU 100 -13.050 1.500 -2.556 615 2HD2 LEU 100 2HD2 LEU 100 -14.339 0.354 -2.925 616 3HD2 LEU 100 3HD2 LEU 100 -13.950 0.734 -1.247 617 H ASP 101 H ASP 101 -13.322 2.154 0.111 618 HA ASP 101 HA ASP 101 -10.392 2.605 -0.136 619 1HB ASP 101 2HB ASP 101 -10.255 2.288 2.392 620 2HB ASP 101 1HB ASP 101 -10.964 3.813 1.862 621 H LEU 102 H LEU 102 -10.171 0.630 -1.271 622 HA LEU 102 HA LEU 102 -11.423 -1.840 -0.339 623 1HB LEU 102 2HB LEU 102 -9.206 -1.296 -2.336 624 2HB LEU 102 1HB LEU 102 -10.130 -2.792 -2.208 625 HG LEU 102 HG LEU 102 -11.593 -0.198 -2.563 626 1HD1 LEU 102 1HD1 LEU 102 -9.879 -0.164 -4.318 627 2HD1 LEU 102 2HD1 LEU 102 -11.454 -0.525 -5.025 628 3HD1 LEU 102 3HD1 LEU 102 -10.285 -1.821 -4.770 629 1HD2 LEU 102 1HD2 LEU 102 -12.701 -2.242 -4.104 630 2HD2 LEU 102 2HD2 LEU 102 -13.257 -1.728 -2.512 631 3HD2 LEU 102 3HD2 LEU 102 -12.121 -3.070 -2.659 632 H GLY 103 H GLY 103 -7.969 -1.175 -0.896 633 1HA GLY 103 2HA GLY 103 -6.910 -1.486 1.639 634 2HA GLY 103 1HA GLY 103 -7.182 -3.142 1.094 635 H HIS 104 H HIS 104 -4.654 -2.846 1.447 636 HA HIS 104 HA HIS 104 -3.494 -2.241 -1.251 637 1HB HIS 104 2HB HIS 104 -2.164 -1.731 1.420 638 2HB HIS 104 1HB HIS 104 -1.658 -1.141 -0.163 639 HD1 HIS 104 HD1 HIS 104 -2.284 1.234 -0.536 640 HD2 HIS 104 HD2 HIS 104 -5.025 -0.682 1.952 641 HE1 HIS 104 HE1 HIS 104 -4.036 2.963 0.067 642 H VAL 105 H VAL 105 -2.349 -3.976 -2.048 643 HA VAL 105 HA VAL 105 -1.862 -6.294 -0.260 644 HB VAL 105 HB VAL 105 -1.512 -5.907 -3.248 645 1HG1 VAL 105 1HG1 VAL 105 -1.282 -8.238 -1.379 646 2HG1 VAL 105 2HG1 VAL 105 -0.305 -7.836 -2.791 647 3HG1 VAL 105 3HG1 VAL 105 -1.920 -8.515 -3.000 648 1HG2 VAL 105 1HG2 VAL 105 -3.707 -6.760 -3.517 649 2HG2 VAL 105 2HG2 VAL 105 -3.857 -5.595 -2.202 650 3HG2 VAL 105 3HG2 VAL 105 -3.784 -7.321 -1.846 651 H ALA 106 H ALA 106 0.096 -6.370 0.761 652 HA ALA 106 HA ALA 106 2.353 -4.749 0.183 653 1HB ALA 106 1HB ALA 106 1.582 -6.376 2.170 654 2HB ALA 106 2HB ALA 106 3.270 -5.919 1.952 655 3HB ALA 106 3HB ALA 106 2.694 -7.473 1.352 656 H LEU 107 H LEU 107 3.875 -4.911 -1.425 657 HA LEU 107 HA LEU 107 3.985 -7.466 -2.987 658 1HB LEU 107 2HB LEU 107 4.447 -4.558 -3.694 659 2HB LEU 107 1HB LEU 107 4.831 -5.884 -4.793 660 HG LEU 107 HG LEU 107 2.098 -5.341 -3.595 661 1HD1 LEU 107 1HD1 LEU 107 1.470 -4.649 -5.851 662 2HD1 LEU 107 2HD1 LEU 107 3.094 -5.003 -6.441 663 3HD1 LEU 107 3HD1 LEU 107 2.837 -3.677 -5.305 664 1HD2 LEU 107 1HD2 LEU 107 2.175 -7.062 -5.920 665 2HD2 LEU 107 2HD2 LEU 107 1.521 -7.400 -4.317 666 3HD2 LEU 107 3HD2 LEU 107 3.223 -7.708 -4.658 667 H THR 108 H THR 108 5.831 -8.609 -2.580 668 HA THR 108 HA THR 108 8.238 -7.180 -1.562 669 HB THR 108 HB THR 108 7.664 -10.145 -1.833 670 HG1 THR 108 HG1 THR 108 6.102 -9.072 -0.547 671 1HG2 THR 108 1HG2 THR 108 9.261 -9.754 0.363 672 2HG2 THR 108 2HG2 THR 108 9.848 -8.507 -0.737 673 3HG2 THR 108 3HG2 THR 108 9.851 -10.198 -1.238 674 H PHE 109 H PHE 109 10.383 -8.056 -2.475 675 HA PHE 109 HA PHE 109 10.129 -8.719 -5.388 676 1HB PHE 109 2HB PHE 109 11.494 -6.483 -3.954 677 2HB PHE 109 1HB PHE 109 12.290 -7.142 -5.384 678 HD1 PHE 109 HD1 PHE 109 8.964 -5.909 -4.189 679 HD2 PHE 109 HD2 PHE 109 11.618 -6.451 -7.521 680 HE1 PHE 109 HE1 PHE 109 7.393 -4.655 -5.644 681 HE2 PHE 109 HE2 PHE 109 10.049 -5.198 -8.976 682 HZ PHE 109 HZ PHE 109 7.937 -4.299 -8.037 683 H GLY 110 H GLY 110 11.526 -10.328 -6.052 684 1HA GLY 110 2HA GLY 110 14.062 -10.990 -5.498 685 2HA GLY 110 1HA GLY 110 13.292 -11.524 -4.003 Start of MODEL 25 1 1H ALA 1 1H ALA 1 -14.535 -4.685 3.990 2 2H ALA 1 2H ALA 1 -16.166 -4.388 3.621 3 3H ALA 1 3H ALA 1 -15.239 -3.193 4.392 4 HA ALA 1 HA ALA 1 -15.425 -2.559 2.110 5 1HB ALA 1 1HB ALA 1 -13.200 -2.049 2.032 6 2HB ALA 1 2HB ALA 1 -12.718 -3.745 2.099 7 3HB ALA 1 3HB ALA 1 -13.137 -2.887 3.582 8 HA PRO 2 HA PRO 2 -15.704 -5.584 -1.052 9 1HB PRO 2 2HB PRO 2 -14.164 -4.619 -3.093 10 2HB PRO 2 1HB PRO 2 -15.718 -3.892 -2.627 11 1HG PRO 2 2HG PRO 2 -12.946 -3.005 -1.995 12 2HG PRO 2 1HG PRO 2 -14.386 -2.041 -2.364 13 1HD PRO 2 2HD PRO 2 -13.413 -2.428 0.173 14 2HD PRO 2 1HD PRO 2 -15.113 -2.065 -0.195 15 H ALA 3 H ALA 3 -14.083 -6.768 -2.824 16 HA ALA 3 HA ALA 3 -11.876 -7.890 -1.150 17 1HB ALA 3 1HB ALA 3 -13.433 -9.554 -1.784 18 2HB ALA 3 2HB ALA 3 -12.131 -9.736 -2.959 19 3HB ALA 3 3HB ALA 3 -13.609 -8.887 -3.407 20 H PHE 4 H PHE 4 -9.775 -7.681 -1.850 21 HA PHE 4 HA PHE 4 -9.210 -6.996 -4.681 22 1HB PHE 4 2HB PHE 4 -9.537 -4.825 -3.754 23 2HB PHE 4 1HB PHE 4 -8.712 -5.260 -2.255 24 HD1 PHE 4 HD1 PHE 4 -6.413 -4.799 -2.003 25 HD2 PHE 4 HD2 PHE 4 -8.133 -4.943 -5.932 26 HE1 PHE 4 HE1 PHE 4 -4.268 -4.023 -2.970 27 HE2 PHE 4 HE2 PHE 4 -5.993 -4.171 -6.898 28 HZ PHE 4 HZ PHE 4 -4.056 -3.709 -5.421 29 H SER 5 H SER 5 -7.786 -8.717 -5.048 30 HA SER 5 HA SER 5 -5.346 -8.793 -3.329 31 1HB SER 5 2HB SER 5 -6.940 -11.262 -4.030 32 2HB SER 5 1HB SER 5 -5.620 -11.129 -2.871 33 HG SER 5 HG SER 5 -7.648 -11.102 -1.830 34 H VAL 6 H VAL 6 -3.522 -9.752 -4.401 35 HA VAL 6 HA VAL 6 -3.866 -10.074 -7.364 36 HB VAL 6 HB VAL 6 -2.566 -8.108 -6.420 37 1HG1 VAL 6 1HG1 VAL 6 -1.589 -9.755 -4.601 38 2HG1 VAL 6 2HG1 VAL 6 -0.604 -8.425 -5.211 39 3HG1 VAL 6 3HG1 VAL 6 -0.363 -10.058 -5.834 40 1HG2 VAL 6 1HG2 VAL 6 -1.280 -10.174 -8.211 41 2HG2 VAL 6 2HG2 VAL 6 -0.504 -8.623 -7.889 42 3HG2 VAL 6 3HG2 VAL 6 -2.084 -8.673 -8.673 43 H SER 7 H SER 7 -3.153 -12.018 -8.248 44 HA SER 7 HA SER 7 -2.654 -14.291 -6.635 45 1HB SER 7 2HB SER 7 -2.495 -13.507 -9.473 46 2HB SER 7 1HB SER 7 -1.489 -14.886 -9.042 47 HG SER 7 HG SER 7 -3.382 -15.803 -8.077 48 HA PRO 8 HA PRO 8 2.009 -13.932 -7.311 49 1HB PRO 8 2HB PRO 8 3.040 -12.023 -8.962 50 2HB PRO 8 1HB PRO 8 2.495 -13.604 -9.550 51 1HG PRO 8 2HG PRO 8 1.129 -10.968 -9.678 52 2HG PRO 8 1HG PRO 8 1.157 -12.283 -10.862 53 1HD PRO 8 2HD PRO 8 -0.945 -11.786 -9.160 54 2HD PRO 8 1HD PRO 8 -0.586 -13.369 -9.881 55 H ALA 9 H ALA 9 1.673 -13.035 -5.124 56 HA ALA 9 HA ALA 9 1.804 -10.092 -4.807 57 1HB ALA 9 1HB ALA 9 1.459 -12.474 -2.978 58 2HB ALA 9 2HB ALA 9 0.257 -11.257 -3.409 59 3HB ALA 9 3HB ALA 9 1.608 -10.829 -2.358 60 H SER 10 H SER 10 4.038 -12.561 -5.212 61 HA SER 10 HA SER 10 6.194 -10.885 -4.041 62 1HB SER 10 2HB SER 10 5.449 -13.695 -3.238 63 2HB SER 10 1HB SER 10 7.059 -13.045 -2.942 64 HG SER 10 HG SER 10 4.578 -12.321 -1.849 65 H GLY 11 H GLY 11 8.375 -11.759 -4.714 66 1HA GLY 11 2HA GLY 11 9.835 -12.564 -6.361 67 2HA GLY 11 1HA GLY 11 8.618 -13.791 -6.717 68 H LEU 12 H LEU 12 8.161 -10.283 -6.903 69 HA LEU 12 HA LEU 12 7.281 -10.592 -9.719 70 1HB LEU 12 2HB LEU 12 7.293 -8.166 -7.899 71 2HB LEU 12 1HB LEU 12 6.323 -8.397 -9.355 72 HG LEU 12 HG LEU 12 6.117 -10.019 -6.801 73 1HD1 LEU 12 1HD1 LEU 12 5.030 -7.978 -6.374 74 2HD1 LEU 12 2HD1 LEU 12 3.724 -8.996 -6.983 75 3HD1 LEU 12 3HD1 LEU 12 4.487 -7.811 -8.044 76 1HD2 LEU 12 1HD2 LEU 12 3.908 -10.470 -8.476 77 2HD2 LEU 12 2HD2 LEU 12 5.213 -11.604 -8.130 78 3HD2 LEU 12 3HD2 LEU 12 5.310 -10.551 -9.542 79 H SER 13 H SER 13 7.982 -8.657 -11.179 80 HA SER 13 HA SER 13 10.739 -7.718 -10.639 81 1HB SER 13 2HB SER 13 9.902 -9.844 -12.488 82 2HB SER 13 1HB SER 13 10.929 -8.622 -13.230 83 HG SER 13 HG SER 13 12.081 -10.374 -12.209 84 H ASP 14 H ASP 14 11.307 -5.879 -11.954 85 HA ASP 14 HA ASP 14 9.194 -4.117 -12.682 86 1HB ASP 14 2HB ASP 14 11.385 -3.298 -12.138 87 2HB ASP 14 1HB ASP 14 12.132 -4.293 -13.389 88 H GLY 15 H GLY 15 7.916 -4.117 -14.492 89 1HA GLY 15 2HA GLY 15 7.555 -4.191 -16.874 90 2HA GLY 15 1HA GLY 15 9.002 -5.188 -17.026 91 H GLN 16 H GLN 16 8.266 -6.984 -14.844 92 HA GLN 16 HA GLN 16 6.891 -9.014 -16.257 93 1HB GLN 16 2HB GLN 16 8.289 -8.827 -13.965 94 2HB GLN 16 1HB GLN 16 6.661 -8.847 -13.285 95 1HG GLN 16 2HG GLN 16 6.252 -10.885 -14.825 96 2HG GLN 16 1HG GLN 16 8.009 -10.948 -14.979 97 1HE2 GLN 16 1HE2 GLN 16 5.718 -10.396 -12.231 98 2HE2 GLN 16 2HE2 GLN 16 6.473 -11.508 -11.195 99 H SER 17 H SER 17 4.687 -9.716 -16.170 100 HA SER 17 HA SER 17 2.761 -7.579 -15.371 101 1HB SER 17 2HB SER 17 3.098 -8.882 -17.709 102 2HB SER 17 1HB SER 17 1.945 -9.969 -16.943 103 HG SER 17 HG SER 17 1.636 -7.379 -17.861 104 H VAL 18 H VAL 18 1.325 -7.956 -13.742 105 HA VAL 18 HA VAL 18 1.252 -10.680 -12.513 106 HB VAL 18 HB VAL 18 0.632 -9.361 -10.462 107 1HG1 VAL 18 1HG1 VAL 18 2.864 -8.529 -10.050 108 2HG1 VAL 18 2HG1 VAL 18 3.175 -8.372 -11.780 109 3HG1 VAL 18 3HG1 VAL 18 3.006 -9.972 -11.055 110 1HG2 VAL 18 1HG2 VAL 18 1.493 -6.882 -11.916 111 2HG2 VAL 18 2HG2 VAL 18 0.480 -7.037 -10.483 112 3HG2 VAL 18 3HG2 VAL 18 -0.179 -7.417 -12.073 113 H SER 19 H SER 19 -0.947 -11.001 -11.308 114 HA SER 19 HA SER 19 -3.136 -9.991 -13.087 115 1HB SER 19 2HB SER 19 -2.248 -12.569 -12.620 116 2HB SER 19 1HB SER 19 -3.642 -12.430 -11.555 117 HG SER 19 HG SER 19 -4.862 -11.766 -13.344 118 H VAL 20 H VAL 20 -4.778 -8.952 -12.092 119 HA VAL 20 HA VAL 20 -4.900 -8.999 -9.105 120 HB VAL 20 HB VAL 20 -5.210 -6.836 -11.188 121 1HG1 VAL 20 1HG1 VAL 20 -6.338 -6.898 -8.378 122 2HG1 VAL 20 2HG1 VAL 20 -7.181 -6.514 -9.878 123 3HG1 VAL 20 3HG1 VAL 20 -5.991 -5.387 -9.223 124 1HG2 VAL 20 1HG2 VAL 20 -3.010 -6.958 -10.304 125 2HG2 VAL 20 2HG2 VAL 20 -3.591 -7.276 -8.671 126 3HG2 VAL 20 3HG2 VAL 20 -3.774 -5.670 -9.376 127 H SER 21 H SER 21 -7.028 -8.999 -8.203 128 HA SER 21 HA SER 21 -9.297 -9.316 -10.109 129 1HB SER 21 2HB SER 21 -9.931 -11.390 -8.838 130 2HB SER 21 1HB SER 21 -8.406 -11.548 -9.705 131 HG SER 21 HG SER 21 -8.912 -11.682 -7.049 132 H VAL 22 H VAL 22 -11.103 -8.290 -9.334 133 HA VAL 22 HA VAL 22 -11.155 -7.539 -6.429 134 HB VAL 22 HB VAL 22 -12.056 -6.063 -8.919 135 1HG1 VAL 22 1HG1 VAL 22 -13.587 -5.181 -7.471 136 2HG1 VAL 22 2HG1 VAL 22 -12.205 -4.250 -6.893 137 3HG1 VAL 22 3HG1 VAL 22 -12.698 -5.717 -6.046 138 1HG2 VAL 22 1HG2 VAL 22 -9.698 -5.938 -7.095 139 2HG2 VAL 22 2HG2 VAL 22 -10.344 -4.407 -7.685 140 3HG2 VAL 22 3HG2 VAL 22 -9.795 -5.631 -8.830 141 H SER 23 H SER 23 -13.072 -7.979 -5.351 142 HA SER 23 HA SER 23 -15.520 -8.624 -6.905 143 1HB SER 23 2HB SER 23 -13.910 -10.477 -5.194 144 2HB SER 23 1HB SER 23 -15.632 -10.737 -5.430 145 HG SER 23 HG SER 23 -15.287 -10.950 -7.603 146 H GLY 24 H GLY 24 -16.074 -6.616 -5.761 147 1HA GLY 24 2HA GLY 24 -17.434 -7.169 -3.250 148 2HA GLY 24 1HA GLY 24 -16.091 -6.038 -3.075 149 H ALA 25 H ALA 25 -16.137 -4.162 -4.693 150 HA ALA 25 HA ALA 25 -18.501 -2.640 -4.409 151 1HB ALA 25 1HB ALA 25 -16.298 -2.539 -6.498 152 2HB ALA 25 2HB ALA 25 -16.272 -1.742 -4.922 153 3HB ALA 25 3HB ALA 25 -17.421 -1.222 -6.155 154 H ALA 26 H ALA 26 -19.204 -1.694 -6.953 155 HA ALA 26 HA ALA 26 -19.932 -3.945 -8.699 156 1HB ALA 26 1HB ALA 26 -21.981 -4.321 -7.832 157 2HB ALA 26 2HB ALA 26 -22.369 -2.602 -7.913 158 3HB ALA 26 3HB ALA 26 -21.545 -3.254 -6.496 159 H ALA 27 H ALA 27 -20.969 -3.199 -10.684 160 HA ALA 27 HA ALA 27 -19.976 -1.042 -12.020 161 1HB ALA 27 1HB ALA 27 -21.429 -1.927 -13.490 162 2HB ALA 27 2HB ALA 27 -22.754 -1.132 -12.639 163 3HB ALA 27 3HB ALA 27 -22.259 -2.760 -12.177 164 H GLY 28 H GLY 28 -19.841 1.078 -11.467 165 1HA GLY 28 2HA GLY 28 -21.546 3.057 -11.287 166 2HA GLY 28 1HA GLY 28 -21.980 2.251 -9.783 167 H GLU 29 H GLU 29 -18.748 1.659 -10.150 168 HA GLU 29 HA GLU 29 -17.863 4.256 -9.009 169 1HB GLU 29 2HB GLU 29 -18.757 2.375 -7.354 170 2HB GLU 29 1HB GLU 29 -17.132 1.730 -7.588 171 1HG GLU 29 2HG GLU 29 -17.086 3.215 -5.671 172 2HG GLU 29 1HG GLU 29 -16.218 3.994 -6.994 173 H THR 30 H THR 30 -15.867 4.759 -9.799 174 HA THR 30 HA THR 30 -14.271 2.610 -11.139 175 HB THR 30 HB THR 30 -14.394 5.632 -11.390 176 HG1 THR 30 HG1 THR 30 -15.356 5.188 -13.305 177 1HG2 THR 30 1HG2 THR 30 -12.086 4.531 -11.706 178 2HG2 THR 30 2HG2 THR 30 -12.687 5.542 -13.020 179 3HG2 THR 30 3HG2 THR 30 -12.783 3.786 -13.144 180 H TYR 31 H TYR 31 -12.477 1.949 -9.990 181 HA TYR 31 HA TYR 31 -11.385 3.763 -7.885 182 1HB TYR 31 2HB TYR 31 -10.936 0.812 -8.416 183 2HB TYR 31 1HB TYR 31 -10.505 1.694 -6.950 184 HD1 TYR 31 HD1 TYR 31 -12.484 3.005 -5.792 185 HD2 TYR 31 HD2 TYR 31 -13.000 -0.285 -8.505 186 HE1 TYR 31 HE1 TYR 31 -14.760 2.613 -4.884 187 HE2 TYR 31 HE2 TYR 31 -15.276 -0.678 -7.597 188 HH TYR 31 HH TYR 31 -16.467 1.096 -4.795 189 H TYR 32 H TYR 32 -8.867 3.316 -7.604 190 HA TYR 32 HA TYR 32 -7.561 3.266 -10.301 191 1HB TYR 32 2HB TYR 32 -6.898 5.139 -8.012 192 2HB TYR 32 1HB TYR 32 -6.297 5.226 -9.669 193 HD1 TYR 32 HD1 TYR 32 -7.449 6.489 -11.282 194 HD2 TYR 32 HD2 TYR 32 -9.465 5.324 -7.675 195 HE1 TYR 32 HE1 TYR 32 -9.398 7.880 -11.924 196 HE2 TYR 32 HE2 TYR 32 -11.414 6.718 -8.315 197 HH TYR 32 HH TYR 32 -12.413 7.662 -10.339 198 H ILE 33 H ILE 33 -6.145 1.557 -10.260 199 HA ILE 33 HA ILE 33 -5.003 0.652 -7.670 200 HB ILE 33 HB ILE 33 -6.052 -0.946 -9.215 201 1HG1 ILE 33 2HG1 ILE 33 -3.458 -1.966 -9.763 202 2HG1 ILE 33 1HG1 ILE 33 -3.361 -1.093 -8.236 203 1HG2 ILE 33 1HG2 ILE 33 -5.802 -0.717 -11.436 204 2HG2 ILE 33 2HG2 ILE 33 -4.067 -0.994 -11.285 205 3HG2 ILE 33 3HG2 ILE 33 -4.714 0.642 -11.158 206 1HD1 ILE 33 1HD1 ILE 33 -5.803 -2.607 -8.303 207 2HD1 ILE 33 2HD1 ILE 33 -4.454 -2.742 -7.174 208 3HD1 ILE 33 3HD1 ILE 33 -4.445 -3.670 -8.674 209 H ALA 34 H ALA 34 -2.972 1.344 -7.082 210 HA ALA 34 HA ALA 34 -0.907 1.744 -9.175 211 1HB ALA 34 1HB ALA 34 -2.374 3.847 -8.675 212 2HB ALA 34 2HB ALA 34 -0.622 4.036 -8.729 213 3HB ALA 34 3HB ALA 34 -1.449 3.928 -7.176 214 H GLN 35 H GLN 35 1.260 1.831 -8.266 215 HA GLN 35 HA GLN 35 1.450 0.560 -5.574 216 1HB GLN 35 2HB GLN 35 2.876 0.491 -8.141 217 2HB GLN 35 1HB GLN 35 3.961 0.609 -6.754 218 1HG GLN 35 2HG GLN 35 2.060 -1.265 -5.954 219 2HG GLN 35 1HG GLN 35 2.353 -1.653 -7.650 220 1HE2 GLN 35 1HE2 GLN 35 4.626 -2.129 -8.285 221 2HE2 GLN 35 2HE2 GLN 35 5.743 -2.643 -7.115 222 H CYS 36 H CYS 36 2.942 1.463 -3.986 223 HA CYS 36 HA CYS 36 4.138 4.112 -4.590 224 1HB CYS 36 2HB CYS 36 1.950 3.565 -2.573 225 2HB CYS 36 1HB CYS 36 2.929 5.031 -2.553 226 H ALA 37 H ALA 37 5.756 4.719 -3.056 227 HA ALA 37 HA ALA 37 6.334 2.899 -0.782 228 1HB ALA 37 1HB ALA 37 8.492 3.476 -2.803 229 2HB ALA 37 2HB ALA 37 7.362 2.153 -3.084 230 3HB ALA 37 3HB ALA 37 8.387 2.148 -1.648 231 HA PRO 38 HA PRO 38 7.589 6.799 0.832 232 1HB PRO 38 2HB PRO 38 9.024 5.943 2.993 233 2HB PRO 38 1HB PRO 38 7.254 5.912 2.925 234 1HG PRO 38 2HG PRO 38 9.198 3.694 2.565 235 2HG PRO 38 1HG PRO 38 7.595 3.680 3.313 236 1HD PRO 38 2HD PRO 38 8.130 2.756 0.771 237 2HD PRO 38 1HD PRO 38 6.532 3.304 1.326 238 H VAL 39 H VAL 39 9.553 8.081 1.226 239 HA VAL 39 HA VAL 39 12.020 6.886 -0.007 240 HB VAL 39 HB VAL 39 12.332 9.107 -1.056 241 1HG1 VAL 39 1HG1 VAL 39 10.596 8.882 -2.718 242 2HG1 VAL 39 2HG1 VAL 39 9.544 8.038 -1.581 243 3HG1 VAL 39 3HG1 VAL 39 11.014 7.259 -2.170 244 1HG2 VAL 39 1HG2 VAL 39 10.432 9.865 0.901 245 2HG2 VAL 39 2HG2 VAL 39 9.651 10.095 -0.662 246 3HG2 VAL 39 3HG2 VAL 39 11.182 10.896 -0.316 247 H GLY 40 H GLY 40 13.719 8.953 0.390 248 1HA GLY 40 2HA GLY 40 14.096 8.884 3.306 249 2HA GLY 40 1HA GLY 40 15.249 9.510 2.130 250 H GLY 41 H GLY 41 11.894 10.534 2.090 251 1HA GLY 41 2HA GLY 41 12.535 13.013 3.538 252 2HA GLY 41 1HA GLY 41 12.119 13.193 1.839 253 H GLN 42 H GLN 42 10.038 11.671 1.355 254 HA GLN 42 HA GLN 42 8.052 11.952 3.554 255 1HB GLN 42 2HB GLN 42 7.951 13.271 0.821 256 2HB GLN 42 1HB GLN 42 6.547 13.142 1.879 257 1HG GLN 42 2HG GLN 42 9.139 14.384 2.813 258 2HG GLN 42 1HG GLN 42 7.882 15.329 2.020 259 1HE2 GLN 42 1HE2 GLN 42 5.545 14.242 3.096 260 2HE2 GLN 42 2HE2 GLN 42 5.521 14.473 4.778 261 H ASP 43 H ASP 43 6.312 11.683 0.764 262 HA ASP 43 HA ASP 43 6.588 8.704 0.635 263 1HB ASP 43 2HB ASP 43 4.651 9.693 1.998 264 2HB ASP 43 1HB ASP 43 4.008 10.274 0.460 265 H ALA 44 H ALA 44 6.254 7.809 -1.454 266 HA ALA 44 HA ALA 44 5.817 9.777 -3.677 267 1HB ALA 44 1HB ALA 44 7.894 7.605 -3.314 268 2HB ALA 44 2HB ALA 44 8.168 9.329 -3.567 269 3HB ALA 44 3HB ALA 44 7.553 8.332 -4.884 270 H CYS 45 H CYS 45 5.110 8.644 -5.719 271 HA CYS 45 HA CYS 45 3.851 5.980 -5.251 272 1HB CYS 45 2HB CYS 45 2.555 8.624 -5.640 273 2HB CYS 45 1HB CYS 45 1.850 7.279 -6.533 274 H ASN 46 H ASN 46 2.675 5.412 -7.512 275 HA ASN 46 HA ASN 46 4.746 5.891 -9.615 276 1HB ASN 46 2HB ASN 46 2.801 3.708 -8.913 277 2HB ASN 46 1HB ASN 46 3.417 3.820 -10.561 278 1HD2 ASN 46 1HD2 ASN 46 5.546 3.077 -10.948 279 2HD2 ASN 46 2HD2 ASN 46 6.593 2.537 -9.727 280 HA PRO 47 HA PRO 47 0.991 8.261 -10.961 281 1HB PRO 47 2HB PRO 47 2.388 10.443 -11.850 282 2HB PRO 47 1HB PRO 47 1.839 10.261 -10.171 283 1HG PRO 47 2HG PRO 47 4.537 9.752 -11.340 284 2HG PRO 47 1HG PRO 47 4.100 10.512 -9.800 285 1HD PRO 47 2HD PRO 47 4.948 7.943 -9.970 286 2HD PRO 47 1HD PRO 47 3.794 8.495 -8.736 287 H ALA 48 H ALA 48 4.178 7.975 -12.510 288 HA ALA 48 HA ALA 48 3.364 8.354 -15.206 289 1HB ALA 48 1HB ALA 48 5.563 6.778 -13.856 290 2HB ALA 48 2HB ALA 48 5.678 8.374 -14.596 291 3HB ALA 48 3HB ALA 48 5.468 6.945 -15.609 292 H THR 49 H THR 49 3.314 5.491 -13.132 293 HA THR 49 HA THR 49 1.985 3.970 -15.349 294 HB THR 49 HB THR 49 2.844 2.166 -13.409 295 HG1 THR 49 HG1 THR 49 4.133 3.473 -12.298 296 1HG2 THR 49 1HG2 THR 49 4.044 3.167 -15.989 297 2HG2 THR 49 2HG2 THR 49 3.151 1.674 -15.701 298 3HG2 THR 49 3HG2 THR 49 4.790 1.855 -15.077 299 H ALA 50 H ALA 50 0.623 5.806 -13.465 300 HA ALA 50 HA ALA 50 -0.739 4.070 -11.511 301 1HB ALA 50 1HB ALA 50 -1.187 6.950 -12.360 302 2HB ALA 50 2HB ALA 50 -0.115 6.433 -11.059 303 3HB ALA 50 3HB ALA 50 -1.855 6.186 -10.919 304 H THR 51 H THR 51 -2.106 2.611 -12.556 305 HA THR 51 HA THR 51 -3.897 3.623 -14.704 306 HB THR 51 HB THR 51 -2.403 1.575 -14.935 307 HG1 THR 51 HG1 THR 51 -3.870 1.246 -16.381 308 1HG2 THR 51 1HG2 THR 51 -3.067 0.888 -12.501 309 2HG2 THR 51 2HG2 THR 51 -2.845 -0.369 -13.717 310 3HG2 THR 51 3HG2 THR 51 -4.470 0.157 -13.280 311 H SER 52 H SER 52 -6.200 2.737 -14.605 312 HA SER 52 HA SER 52 -7.175 2.273 -11.826 313 1HB SER 52 2HB SER 52 -8.419 4.309 -13.665 314 2HB SER 52 1HB SER 52 -8.626 4.145 -11.924 315 HG SER 52 HG SER 52 -6.505 5.216 -13.406 316 H PHE 53 H PHE 53 -9.463 1.511 -11.821 317 HA PHE 53 HA PHE 53 -10.454 0.486 -14.442 318 1HB PHE 53 2HB PHE 53 -10.687 -1.756 -13.434 319 2HB PHE 53 1HB PHE 53 -9.006 -1.225 -13.374 320 HD1 PHE 53 HD1 PHE 53 -12.094 -1.721 -11.403 321 HD2 PHE 53 HD2 PHE 53 -7.930 -0.684 -11.281 322 HE1 PHE 53 HE1 PHE 53 -12.111 -1.949 -8.935 323 HE2 PHE 53 HE2 PHE 53 -7.944 -0.912 -8.813 324 HZ PHE 53 HZ PHE 53 -10.036 -1.543 -7.639 325 H THR 54 H THR 54 -12.673 -0.771 -13.812 326 HA THR 54 HA THR 54 -14.141 0.684 -11.675 327 HB THR 54 HB THR 54 -14.808 0.643 -14.633 328 HG1 THR 54 HG1 THR 54 -13.751 2.439 -14.514 329 1HG2 THR 54 1HG2 THR 54 -16.420 1.463 -12.220 330 2HG2 THR 54 2HG2 THR 54 -16.897 0.401 -13.545 331 3HG2 THR 54 3HG2 THR 54 -16.741 2.137 -13.817 332 H THR 55 H THR 55 -16.034 -0.496 -10.956 333 HA THR 55 HA THR 55 -15.910 -3.366 -11.272 334 HB THR 55 HB THR 55 -18.402 -2.961 -10.328 335 HG1 THR 55 HG1 THR 55 -18.098 -0.901 -9.100 336 1HG2 THR 55 1HG2 THR 55 -16.218 -2.106 -8.486 337 2HG2 THR 55 2HG2 THR 55 -16.073 -3.689 -9.246 338 3HG2 THR 55 3HG2 THR 55 -17.482 -3.315 -8.251 339 H ASP 56 H ASP 56 -18.290 -4.426 -11.890 340 HA ASP 56 HA ASP 56 -19.238 -3.177 -14.440 341 1HB ASP 56 2HB ASP 56 -17.283 -5.187 -14.275 342 2HB ASP 56 1HB ASP 56 -18.758 -6.021 -14.755 343 H ALA 57 H ALA 57 -20.537 -5.774 -15.165 344 HA ALA 57 HA ALA 57 -22.936 -5.499 -13.521 345 1HB ALA 57 1HB ALA 57 -22.648 -7.666 -15.544 346 2HB ALA 57 2HB ALA 57 -22.470 -6.016 -16.144 347 3HB ALA 57 3HB ALA 57 -23.957 -6.503 -15.336 348 H SER 58 H SER 58 -21.624 -6.187 -11.655 349 HA SER 58 HA SER 58 -22.320 -8.470 -10.373 350 1HB SER 58 2HB SER 58 -21.518 -10.117 -11.770 351 2HB SER 58 1HB SER 58 -20.394 -9.019 -12.565 352 HG SER 58 HG SER 58 -19.577 -10.793 -11.092 353 H GLY 59 H GLY 59 -19.982 -6.070 -11.127 354 1HA GLY 59 2HA GLY 59 -18.606 -4.823 -9.684 355 2HA GLY 59 1HA GLY 59 -19.192 -5.800 -8.336 356 H ALA 60 H ALA 60 -17.825 -7.260 -11.212 357 HA ALA 60 HA ALA 60 -15.515 -8.124 -9.535 358 1HB ALA 60 1HB ALA 60 -16.943 -9.412 -11.872 359 2HB ALA 60 2HB ALA 60 -17.001 -9.932 -10.189 360 3HB ALA 60 3HB ALA 60 -15.502 -10.085 -11.106 361 H ALA 61 H ALA 61 -13.516 -7.475 -10.193 362 HA ALA 61 HA ALA 61 -13.193 -6.582 -13.032 363 1HB ALA 61 1HB ALA 61 -12.983 -4.502 -12.191 364 2HB ALA 61 2HB ALA 61 -11.513 -5.039 -11.379 365 3HB ALA 61 3HB ALA 61 -13.064 -5.118 -10.541 366 H SER 62 H SER 62 -12.153 -8.677 -13.397 367 HA SER 62 HA SER 62 -9.528 -9.056 -12.008 368 1HB SER 62 2HB SER 62 -10.386 -11.180 -13.787 369 2HB SER 62 1HB SER 62 -10.103 -11.245 -12.052 370 HG SER 62 HG SER 62 -12.429 -11.164 -13.403 371 H PHE 63 H PHE 63 -7.896 -8.075 -13.170 372 HA PHE 63 HA PHE 63 -7.762 -8.639 -16.108 373 1HB PHE 63 2HB PHE 63 -7.166 -6.183 -16.376 374 2HB PHE 63 1HB PHE 63 -8.844 -6.500 -15.932 375 HD1 PHE 63 HD1 PHE 63 -9.561 -6.275 -13.535 376 HD2 PHE 63 HD2 PHE 63 -5.693 -5.008 -14.911 377 HE1 PHE 63 HE1 PHE 63 -9.275 -4.919 -11.478 378 HE2 PHE 63 HE2 PHE 63 -5.404 -3.650 -12.854 379 HZ PHE 63 HZ PHE 63 -7.196 -3.608 -11.136 380 H SER 64 H SER 64 -5.544 -7.666 -16.918 381 HA SER 64 HA SER 64 -3.438 -8.660 -15.055 382 1HB SER 64 2HB SER 64 -2.117 -8.548 -17.249 383 2HB SER 64 1HB SER 64 -3.467 -9.680 -17.225 384 HG SER 64 HG SER 64 -3.100 -7.368 -18.669 385 H PHE 65 H PHE 65 -2.169 -7.174 -13.999 386 HA PHE 65 HA PHE 65 -1.976 -4.398 -15.141 387 1HB PHE 65 2HB PHE 65 -3.260 -4.304 -13.142 388 2HB PHE 65 1HB PHE 65 -2.232 -5.485 -12.333 389 HD1 PHE 65 HD1 PHE 65 -1.068 -4.504 -10.573 390 HD2 PHE 65 HD2 PHE 65 -1.539 -2.328 -14.247 391 HE1 PHE 65 HE1 PHE 65 0.328 -2.666 -9.663 392 HE2 PHE 65 HE2 PHE 65 -0.143 -0.490 -13.338 393 HZ PHE 65 HZ PHE 65 0.790 -0.659 -11.046 394 H VAL 66 H VAL 66 0.139 -3.573 -15.319 395 HA VAL 66 HA VAL 66 2.336 -5.500 -14.939 396 HB VAL 66 HB VAL 66 2.577 -2.621 -15.787 397 1HG1 VAL 66 1HG1 VAL 66 4.549 -3.287 -16.761 398 2HG1 VAL 66 2HG1 VAL 66 3.946 -4.906 -17.120 399 3HG1 VAL 66 3HG1 VAL 66 4.464 -4.500 -15.485 400 1HG2 VAL 66 1HG2 VAL 66 2.121 -3.488 -18.135 401 2HG2 VAL 66 2HG2 VAL 66 0.704 -3.426 -17.089 402 3HG2 VAL 66 3HG2 VAL 66 1.508 -4.966 -17.391 403 H VAL 67 H VAL 67 4.238 -4.999 -13.676 404 HA VAL 67 HA VAL 67 3.745 -3.050 -11.442 405 HB VAL 67 HB VAL 67 4.939 -4.742 -10.031 406 1HG1 VAL 67 1HG1 VAL 67 2.746 -5.197 -9.654 407 2HG1 VAL 67 2HG1 VAL 67 3.012 -6.599 -10.692 408 3HG1 VAL 67 3HG1 VAL 67 2.343 -5.113 -11.369 409 1HG2 VAL 67 1HG2 VAL 67 6.012 -5.706 -12.256 410 2HG2 VAL 67 2HG2 VAL 67 4.575 -6.728 -12.252 411 3HG2 VAL 67 3HG2 VAL 67 5.692 -6.773 -10.889 412 H ARG 68 H ARG 68 5.654 -1.970 -10.655 413 HA ARG 68 HA ARG 68 8.067 -2.259 -12.414 414 1HB ARG 68 2HB ARG 68 6.582 0.149 -11.360 415 2HB ARG 68 1HB ARG 68 8.245 0.272 -11.934 416 1HG ARG 68 2HG ARG 68 6.496 -1.213 -13.765 417 2HG ARG 68 1HG ARG 68 6.000 0.464 -13.529 418 1HD ARG 68 2HD ARG 68 8.916 0.100 -13.887 419 2HD ARG 68 1HD ARG 68 7.931 -0.296 -15.310 420 HE ARG 68 HE ARG 68 7.640 2.299 -13.844 421 1HH1 ARG 68 1HH2 ARG 68 8.794 0.807 -16.636 422 2HH1 ARG 68 2HH2 ARG 68 8.057 1.919 -17.741 423 1HH2 ARG 68 1HH1 ARG 68 6.246 3.566 -15.285 424 2HH2 ARG 68 2HH1 ARG 68 6.614 3.482 -16.974 425 H LYS 69 H LYS 69 9.531 -3.275 -11.037 426 HA LYS 69 HA LYS 69 9.610 -3.136 -8.216 427 1HB LYS 69 2HB LYS 69 10.851 -4.772 -9.513 428 2HB LYS 69 1HB LYS 69 11.785 -3.498 -10.298 429 1HG LYS 69 2HG LYS 69 12.786 -2.866 -8.156 430 2HG LYS 69 1HG LYS 69 11.809 -4.077 -7.323 431 1HD LYS 69 2HD LYS 69 13.637 -5.403 -7.627 432 2HD LYS 69 1HD LYS 69 12.976 -5.610 -9.250 433 1HE LYS 69 2HE LYS 69 14.358 -3.251 -9.536 434 2HE LYS 69 1HE LYS 69 15.386 -4.142 -8.394 435 1HZ LYS 69 1HZ LYS 69 16.076 -5.057 -10.358 436 2HZ LYS 69 2HZ LYS 69 14.567 -4.875 -11.115 437 3HZ LYS 69 3HZ LYS 69 14.808 -6.118 -9.982 438 H SER 70 H SER 70 11.455 -1.202 -10.594 439 HA SER 70 HA SER 70 12.023 0.782 -8.419 440 1HB SER 70 2HB SER 70 13.469 0.154 -11.006 441 2HB SER 70 1HB SER 70 13.994 1.335 -9.811 442 HG SER 70 HG SER 70 14.997 -0.747 -9.591 443 H TYR 71 H TYR 71 11.173 2.826 -8.708 444 HA TYR 71 HA TYR 71 10.472 3.751 -11.439 445 1HB TYR 71 2HB TYR 71 8.152 4.052 -10.880 446 2HB TYR 71 1HB TYR 71 8.572 2.413 -10.381 447 HD1 TYR 71 HD1 TYR 71 8.061 5.891 -9.165 448 HD2 TYR 71 HD2 TYR 71 8.532 1.759 -8.075 449 HE1 TYR 71 HE1 TYR 71 7.401 6.430 -6.835 450 HE2 TYR 71 HE2 TYR 71 7.871 2.300 -5.746 451 HH TYR 71 HH TYR 71 6.303 4.971 -4.848 452 H THR 72 H THR 72 10.422 6.033 -11.576 453 HA THR 72 HA THR 72 11.852 7.515 -9.557 454 HB THR 72 HB THR 72 10.164 8.341 -11.941 455 HG1 THR 72 HG1 THR 72 11.824 7.299 -12.776 456 1HG2 THR 72 1HG2 THR 72 10.549 10.478 -11.374 457 2HG2 THR 72 2HG2 THR 72 12.284 10.165 -11.312 458 3HG2 THR 72 3HG2 THR 72 11.294 9.929 -9.873 459 H GLY 73 H GLY 73 11.027 8.524 -7.755 460 1HA GLY 73 2HA GLY 73 8.067 8.618 -7.451 461 2HA GLY 73 1HA GLY 73 9.229 8.713 -6.127 462 H SER 74 H SER 74 7.022 10.586 -6.869 463 HA SER 74 HA SER 74 8.476 13.067 -6.463 464 1HB SER 74 2HB SER 74 7.806 14.027 -8.701 465 2HB SER 74 1HB SER 74 9.012 12.748 -8.802 466 HG SER 74 HG SER 74 7.634 11.659 -9.940 467 H THR 75 H THR 75 6.800 14.990 -6.878 468 HA THR 75 HA THR 75 4.229 14.117 -5.655 469 HB THR 75 HB THR 75 4.125 16.574 -5.104 470 HG1 THR 75 HG1 THR 75 5.595 17.873 -5.868 471 1HG2 THR 75 1HG2 THR 75 5.298 16.143 -3.221 472 2HG2 THR 75 2HG2 THR 75 6.793 15.880 -4.119 473 3HG2 THR 75 3HG2 THR 75 5.626 14.569 -3.943 474 HA PRO 76 HA PRO 76 1.969 15.213 -9.254 475 1HB PRO 76 2HB PRO 76 -0.355 16.158 -8.181 476 2HB PRO 76 1HB PRO 76 0.090 14.440 -8.161 477 1HG PRO 76 2HG PRO 76 0.212 16.448 -5.980 478 2HG PRO 76 1HG PRO 76 -0.132 14.714 -5.904 479 1HD PRO 76 2HD PRO 76 2.295 15.883 -5.250 480 2HD PRO 76 1HD PRO 76 2.066 14.173 -5.673 481 H GLU 77 H GLU 77 3.083 17.581 -7.121 482 HA GLU 77 HA GLU 77 1.892 19.847 -8.615 483 1HB GLU 77 2HB GLU 77 2.344 19.425 -5.987 484 2HB GLU 77 1HB GLU 77 3.852 20.230 -6.418 485 1HG GLU 77 2HG GLU 77 2.067 21.828 -7.703 486 2HG GLU 77 1HG GLU 77 1.096 21.312 -6.324 487 H GLY 78 H GLY 78 5.155 18.913 -7.502 488 1HA GLY 78 2HA GLY 78 6.557 18.915 -9.870 489 2HA GLY 78 1HA GLY 78 6.417 20.634 -9.495 490 H THR 79 H THR 79 7.092 17.671 -7.606 491 HA THR 79 HA THR 79 9.600 18.964 -6.626 492 HB THR 79 HB THR 79 7.625 17.537 -4.835 493 HG1 THR 79 HG1 THR 79 6.480 19.283 -4.782 494 1HG2 THR 79 1HG2 THR 79 9.718 19.615 -4.169 495 2HG2 THR 79 2HG2 THR 79 10.060 17.884 -4.172 496 3HG2 THR 79 3HG2 THR 79 8.864 18.544 -3.057 497 HA PRO 80 HA PRO 80 10.432 14.658 -7.824 498 1HB PRO 80 2HB PRO 80 13.011 15.125 -8.599 499 2HB PRO 80 1HB PRO 80 11.617 15.408 -9.660 500 1HG PRO 80 2HG PRO 80 13.228 17.359 -8.095 501 2HG PRO 80 1HG PRO 80 12.494 17.527 -9.697 502 1HD PRO 80 2HD PRO 80 11.432 18.597 -7.399 503 2HD PRO 80 1HD PRO 80 10.479 18.190 -8.845 504 H VAL 81 H VAL 81 10.512 13.757 -5.720 505 HA VAL 81 HA VAL 81 12.438 14.561 -3.715 506 HB VAL 81 HB VAL 81 11.549 12.516 -2.585 507 1HG1 VAL 81 1HG1 VAL 81 9.428 13.425 -2.212 508 2HG1 VAL 81 2HG1 VAL 81 9.222 13.887 -3.901 509 3HG1 VAL 81 3HG1 VAL 81 10.305 14.811 -2.860 510 1HG2 VAL 81 1HG2 VAL 81 11.365 11.314 -4.887 511 2HG2 VAL 81 2HG2 VAL 81 9.804 12.124 -5.010 512 3HG2 VAL 81 3HG2 VAL 81 10.113 11.004 -3.683 513 H GLY 82 H GLY 82 12.451 12.223 -6.333 514 1HA GLY 82 2HA GLY 82 14.953 11.773 -6.946 515 2HA GLY 82 1HA GLY 82 14.999 11.075 -5.330 516 H SER 83 H SER 83 15.643 9.159 -6.833 517 HA SER 83 HA SER 83 13.359 7.839 -8.163 518 1HB SER 83 2HB SER 83 15.103 6.238 -8.813 519 2HB SER 83 1HB SER 83 15.671 7.881 -9.088 520 HG SER 83 HG SER 83 17.284 7.218 -7.897 521 H VAL 84 H VAL 84 12.470 5.834 -7.437 522 HA VAL 84 HA VAL 84 13.111 5.127 -4.588 523 HB VAL 84 HB VAL 84 10.527 5.063 -6.174 524 1HG1 VAL 84 1HG1 VAL 84 9.719 4.590 -3.676 525 2HG1 VAL 84 2HG1 VAL 84 11.326 3.873 -3.551 526 3HG1 VAL 84 3HG1 VAL 84 10.184 3.273 -4.753 527 1HG2 VAL 84 1HG2 VAL 84 10.303 7.167 -5.400 528 2HG2 VAL 84 2HG2 VAL 84 11.835 7.041 -4.534 529 3HG2 VAL 84 3HG2 VAL 84 10.337 6.531 -3.756 530 H ASP 85 H ASP 85 13.262 2.880 -4.106 531 HA ASP 85 HA ASP 85 13.001 0.990 -6.412 532 1HB ASP 85 2HB ASP 85 15.311 1.209 -4.457 533 2HB ASP 85 1HB ASP 85 15.183 0.044 -5.776 534 H CYS 86 H CYS 86 12.080 -0.963 -5.831 535 HA CYS 86 HA CYS 86 11.226 -1.297 -3.012 536 1HB CYS 86 2HB CYS 86 10.596 -2.611 -5.666 537 2HB CYS 86 1HB CYS 86 9.953 -3.226 -4.144 538 H ALA 87 H ALA 87 13.997 -1.976 -4.568 539 HA ALA 87 HA ALA 87 14.435 -4.784 -4.166 540 1HB ALA 87 1HB ALA 87 16.757 -4.164 -4.548 541 2HB ALA 87 2HB ALA 87 16.413 -2.485 -4.129 542 3HB ALA 87 3HB ALA 87 15.737 -3.183 -5.601 543 H THR 88 H THR 88 15.765 -2.051 -2.252 544 HA THR 88 HA THR 88 15.970 -3.905 0.087 545 HB THR 88 HB THR 88 17.970 -2.680 -0.861 546 HG1 THR 88 HG1 THR 88 18.259 -3.255 1.194 547 1HG2 THR 88 1HG2 THR 88 16.732 -0.600 -1.426 548 2HG2 THR 88 2HG2 THR 88 18.151 -0.284 -0.428 549 3HG2 THR 88 3HG2 THR 88 16.543 -0.273 0.295 550 H ALA 89 H ALA 89 13.621 -2.054 -1.003 551 HA ALA 89 HA ALA 89 13.066 -0.750 1.626 552 1HB ALA 89 1HB ALA 89 13.019 0.153 -1.123 553 2HB ALA 89 2HB ALA 89 12.837 1.100 0.353 554 3HB ALA 89 3HB ALA 89 11.427 0.343 -0.388 555 H ALA 90 H ALA 90 10.383 -0.278 1.352 556 HA ALA 90 HA ALA 90 9.157 -2.949 0.774 557 1HB ALA 90 1HB ALA 90 9.540 -1.536 3.289 558 2HB ALA 90 2HB ALA 90 9.007 -3.194 3.015 559 3HB ALA 90 3HB ALA 90 7.835 -1.876 2.991 560 H CYS 91 H CYS 91 8.012 -2.215 -1.057 561 HA CYS 91 HA CYS 91 6.240 0.153 -0.641 562 1HB CYS 91 2HB CYS 91 6.158 0.096 -3.175 563 2HB CYS 91 1HB CYS 91 7.765 0.375 -2.508 564 H ASN 92 H ASN 92 3.997 -0.046 -1.222 565 HA ASN 92 HA ASN 92 3.042 -2.876 -1.527 566 1HB ASN 92 2HB ASN 92 1.742 -0.652 0.068 567 2HB ASN 92 1HB ASN 92 1.305 -2.360 0.073 568 1HD2 ASN 92 1HD2 ASN 92 2.887 -0.127 1.926 569 2HD2 ASN 92 2HD2 ASN 92 4.006 -1.136 2.707 570 H LEU 93 H LEU 93 0.953 -3.071 -2.588 571 HA LEU 93 HA LEU 93 0.400 -0.834 -4.501 572 1HB LEU 93 2HB LEU 93 1.050 -2.804 -5.651 573 2HB LEU 93 1HB LEU 93 0.166 -3.847 -4.541 574 HG LEU 93 HG LEU 93 -1.959 -2.663 -5.428 575 1HD1 LEU 93 1HD1 LEU 93 -0.738 -0.823 -6.563 576 2HD1 LEU 93 2HD1 LEU 93 -1.741 -1.735 -7.687 577 3HD1 LEU 93 3HD1 LEU 93 -0.001 -2.001 -7.648 578 1HD2 LEU 93 1HD2 LEU 93 -0.270 -4.761 -6.625 579 2HD2 LEU 93 2HD2 LEU 93 -1.454 -4.072 -7.735 580 3HD2 LEU 93 3HD2 LEU 93 -1.985 -4.796 -6.217 581 H GLY 94 H GLY 94 -1.472 0.289 -4.038 582 1HA GLY 94 2HA GLY 94 -3.677 -1.227 -2.696 583 2HA GLY 94 1HA GLY 94 -3.265 0.418 -2.217 584 H ALA 95 H ALA 95 -5.836 -0.405 -3.164 585 HA ALA 95 HA ALA 95 -5.985 1.251 -5.663 586 1HB ALA 95 1HB ALA 95 -7.911 -0.403 -6.205 587 2HB ALA 95 2HB ALA 95 -7.187 -1.425 -4.963 588 3HB ALA 95 3HB ALA 95 -6.256 -0.981 -6.393 589 H GLY 96 H GLY 96 -8.142 2.264 -5.939 590 1HA GLY 96 2HA GLY 96 -10.410 2.408 -4.623 591 2HA GLY 96 1HA GLY 96 -9.356 2.909 -3.299 592 H ASN 97 H ASN 97 -10.877 4.894 -3.612 593 HA ASN 97 HA ASN 97 -9.807 6.664 -5.754 594 1HB ASN 97 2HB ASN 97 -11.911 7.785 -5.651 595 2HB ASN 97 1HB ASN 97 -12.292 6.067 -5.540 596 1HD2 ASN 97 1HD2 ASN 97 -12.748 9.080 -4.000 597 2HD2 ASN 97 2HD2 ASN 97 -13.325 8.500 -2.512 598 H SER 98 H SER 98 -10.711 6.663 -2.300 599 HA SER 98 HA SER 98 -8.449 8.115 -1.401 600 1HB SER 98 2HB SER 98 -10.074 9.680 -2.984 601 2HB SER 98 1HB SER 98 -10.648 10.074 -1.369 602 HG SER 98 HG SER 98 -8.857 11.115 -1.036 603 H GLY 99 H GLY 99 -11.870 7.372 -1.000 604 1HA GLY 99 2HA GLY 99 -11.389 7.237 1.943 605 2HA GLY 99 1HA GLY 99 -12.838 8.031 1.328 606 H LEU 100 H LEU 100 -12.116 5.497 -0.733 607 HA LEU 100 HA LEU 100 -14.333 3.897 0.355 608 1HB LEU 100 2HB LEU 100 -13.909 4.443 -2.085 609 2HB LEU 100 1HB LEU 100 -12.522 3.354 -2.007 610 HG LEU 100 HG LEU 100 -14.753 2.004 -0.846 611 1HD1 LEU 100 1HD1 LEU 100 -15.329 3.543 -3.359 612 2HD1 LEU 100 2HD1 LEU 100 -16.383 3.222 -1.983 613 3HD1 LEU 100 3HD1 LEU 100 -16.039 1.943 -3.146 614 1HD2 LEU 100 1HD2 LEU 100 -13.450 1.590 -3.553 615 2HD2 LEU 100 2HD2 LEU 100 -14.264 0.375 -2.570 616 3HD2 LEU 100 3HD2 LEU 100 -12.734 1.064 -2.031 617 H ASP 101 H ASP 101 -10.845 3.493 -0.207 618 HA ASP 101 HA ASP 101 -9.312 2.014 0.826 619 1HB ASP 101 2HB ASP 101 -10.897 2.842 2.761 620 2HB ASP 101 1HB ASP 101 -11.529 1.198 2.683 621 H LEU 102 H LEU 102 -9.574 0.715 -1.207 622 HA LEU 102 HA LEU 102 -11.452 -1.525 -1.221 623 1HB LEU 102 2HB LEU 102 -9.453 -0.241 -2.959 624 2HB LEU 102 1HB LEU 102 -9.567 -1.990 -3.168 625 HG LEU 102 HG LEU 102 -12.179 -0.661 -2.944 626 1HD1 LEU 102 1HD1 LEU 102 -10.149 0.461 -4.691 627 2HD1 LEU 102 2HD1 LEU 102 -11.789 1.029 -4.383 628 3HD1 LEU 102 3HD1 LEU 102 -11.497 -0.187 -5.626 629 1HD2 LEU 102 1HD2 LEU 102 -11.349 -2.215 -5.339 630 2HD2 LEU 102 2HD2 LEU 102 -12.794 -2.374 -4.340 631 3HD2 LEU 102 3HD2 LEU 102 -11.266 -3.069 -3.799 632 H GLY 103 H GLY 103 -7.881 -1.467 -1.392 633 1HA GLY 103 2HA GLY 103 -7.463 -3.231 0.806 634 2HA GLY 103 1HA GLY 103 -7.543 -4.190 -0.670 635 H HIS 104 H HIS 104 -5.197 -4.034 0.860 636 HA HIS 104 HA HIS 104 -3.370 -2.657 -1.066 637 1HB HIS 104 2HB HIS 104 -3.400 -2.535 1.965 638 2HB HIS 104 1HB HIS 104 -2.037 -1.985 0.988 639 HD1 HIS 104 HD1 HIS 104 -2.437 0.093 -0.562 640 HD2 HIS 104 HD2 HIS 104 -5.634 -0.809 1.952 641 HE1 HIS 104 HE1 HIS 104 -3.980 2.102 -0.616 642 H VAL 105 H VAL 105 -2.230 -4.363 -1.928 643 HA VAL 105 HA VAL 105 -1.580 -6.696 -0.185 644 HB VAL 105 HB VAL 105 -1.488 -6.209 -3.175 645 1HG1 VAL 105 1HG1 VAL 105 -0.281 -8.272 -1.517 646 2HG1 VAL 105 2HG1 VAL 105 -0.109 -7.993 -3.250 647 3HG1 VAL 105 3HG1 VAL 105 -1.452 -8.961 -2.640 648 1HG2 VAL 105 1HG2 VAL 105 -3.433 -7.675 -3.234 649 2HG2 VAL 105 2HG2 VAL 105 -3.753 -6.359 -2.104 650 3HG2 VAL 105 3HG2 VAL 105 -3.317 -7.956 -1.497 651 H ALA 106 H ALA 106 0.415 -6.511 0.817 652 HA ALA 106 HA ALA 106 2.511 -4.737 0.078 653 1HB ALA 106 1HB ALA 106 1.973 -6.308 2.178 654 2HB ALA 106 2HB ALA 106 3.618 -5.766 1.844 655 3HB ALA 106 3HB ALA 106 3.104 -7.380 1.352 656 H LEU 107 H LEU 107 4.236 -4.961 -1.395 657 HA LEU 107 HA LEU 107 4.233 -7.493 -3.015 658 1HB LEU 107 2HB LEU 107 4.974 -4.638 -3.710 659 2HB LEU 107 1HB LEU 107 5.086 -6.004 -4.821 660 HG LEU 107 HG LEU 107 2.522 -5.217 -3.418 661 1HD1 LEU 107 1HD1 LEU 107 2.678 -3.397 -4.803 662 2HD1 LEU 107 2HD1 LEU 107 2.099 -4.553 -6.002 663 3HD1 LEU 107 3HD1 LEU 107 3.820 -4.190 -5.888 664 1HD2 LEU 107 1HD2 LEU 107 2.668 -6.722 -5.994 665 2HD2 LEU 107 2HD2 LEU 107 1.517 -6.878 -4.667 666 3HD2 LEU 107 3HD2 LEU 107 3.126 -7.584 -4.525 667 H THR 108 H THR 108 6.413 -7.985 -4.008 668 HA THR 108 HA THR 108 8.755 -7.007 -2.461 669 HB THR 108 HB THR 108 8.034 -9.942 -2.719 670 HG1 THR 108 HG1 THR 108 6.531 -9.042 -1.379 671 1HG2 THR 108 1HG2 THR 108 9.709 -10.053 -0.791 672 2HG2 THR 108 2HG2 THR 108 10.133 -8.390 -1.199 673 3HG2 THR 108 3HG2 THR 108 10.376 -9.677 -2.379 674 H PHE 109 H PHE 109 10.791 -8.190 -3.417 675 HA PHE 109 HA PHE 109 10.447 -8.936 -6.277 676 1HB PHE 109 2HB PHE 109 11.860 -6.530 -5.140 677 2HB PHE 109 1HB PHE 109 12.369 -7.217 -6.684 678 HD1 PHE 109 HD1 PHE 109 9.836 -5.271 -4.945 679 HD2 PHE 109 HD2 PHE 109 10.724 -7.390 -8.573 680 HE1 PHE 109 HE1 PHE 109 7.958 -4.114 -6.080 681 HE2 PHE 109 HE2 PHE 109 8.846 -6.236 -9.709 682 HZ PHE 109 HZ PHE 109 7.463 -4.597 -8.463 683 H GLY 110 H GLY 110 11.368 -10.988 -6.000 684 1HA GLY 110 2HA GLY 110 13.402 -12.292 -6.153 685 2HA GLY 110 1HA GLY 110 14.247 -11.022 -5.266 Start of MODEL 26 1 1H ALA 1 1H ALA 1 -17.664 -7.492 4.158 2 2H ALA 1 2H ALA 1 -16.288 -8.480 4.025 3 3H ALA 1 3H ALA 1 -17.439 -8.453 2.776 4 HA ALA 1 HA ALA 1 -16.797 -5.857 2.879 5 1HB ALA 1 1HB ALA 1 -15.043 -7.121 4.599 6 2HB ALA 1 2HB ALA 1 -14.759 -5.553 3.844 7 3HB ALA 1 3HB ALA 1 -14.106 -7.017 3.108 8 HA PRO 2 HA PRO 2 -15.768 -6.821 -1.259 9 1HB PRO 2 2HB PRO 2 -13.779 -5.065 -1.934 10 2HB PRO 2 1HB PRO 2 -15.472 -4.567 -1.698 11 1HG PRO 2 2HG PRO 2 -13.144 -4.311 0.145 12 2HG PRO 2 1HG PRO 2 -14.500 -3.205 -0.127 13 1HD PRO 2 2HD PRO 2 -14.311 -4.895 2.028 14 2HD PRO 2 1HD PRO 2 -15.846 -4.279 1.377 15 H ALA 3 H ALA 3 -13.625 -7.177 -2.782 16 HA ALA 3 HA ALA 3 -11.593 -8.669 -1.164 17 1HB ALA 3 1HB ALA 3 -13.587 -9.973 -2.254 18 2HB ALA 3 2HB ALA 3 -11.953 -10.612 -2.429 19 3HB ALA 3 3HB ALA 3 -12.698 -9.719 -3.756 20 H PHE 4 H PHE 4 -9.507 -8.429 -1.922 21 HA PHE 4 HA PHE 4 -9.014 -7.487 -4.689 22 1HB PHE 4 2HB PHE 4 -9.392 -5.425 -3.474 23 2HB PHE 4 1HB PHE 4 -8.343 -5.958 -2.159 24 HD1 PHE 4 HD1 PHE 4 -8.119 -5.772 -5.905 25 HD2 PHE 4 HD2 PHE 4 -6.250 -4.942 -2.129 26 HE1 PHE 4 HE1 PHE 4 -6.152 -4.833 -7.086 27 HE2 PHE 4 HE2 PHE 4 -4.283 -4.002 -3.309 28 HZ PHE 4 HZ PHE 4 -4.234 -3.947 -5.789 29 H SER 5 H SER 5 -7.551 -9.114 -5.246 30 HA SER 5 HA SER 5 -5.083 -9.297 -3.582 31 1HB SER 5 2HB SER 5 -6.144 -11.072 -2.579 32 2HB SER 5 1HB SER 5 -7.199 -11.358 -3.960 33 HG SER 5 HG SER 5 -5.829 -12.945 -4.268 34 H VAL 6 H VAL 6 -3.336 -10.439 -4.717 35 HA VAL 6 HA VAL 6 -3.686 -10.447 -7.702 36 HB VAL 6 HB VAL 6 -2.326 -8.585 -6.645 37 1HG1 VAL 6 1HG1 VAL 6 -1.423 -9.930 -4.780 38 2HG1 VAL 6 2HG1 VAL 6 -0.124 -9.194 -5.718 39 3HG1 VAL 6 3HG1 VAL 6 -0.506 -10.903 -5.927 40 1HG2 VAL 6 1HG2 VAL 6 -1.049 -8.566 -8.521 41 2HG2 VAL 6 2HG2 VAL 6 -1.811 -10.108 -8.908 42 3HG2 VAL 6 3HG2 VAL 6 -0.252 -10.076 -8.087 43 H SER 7 H SER 7 -2.643 -12.210 -8.810 44 HA SER 7 HA SER 7 -2.436 -14.694 -7.471 45 1HB SER 7 2HB SER 7 -1.718 -13.521 -10.087 46 2HB SER 7 1HB SER 7 -0.797 -14.961 -9.656 47 HG SER 7 HG SER 7 -3.595 -14.629 -9.923 48 HA PRO 8 HA PRO 8 2.261 -14.230 -7.113 49 1HB PRO 8 2HB PRO 8 3.550 -12.126 -8.275 50 2HB PRO 8 1HB PRO 8 3.183 -13.623 -9.153 51 1HG PRO 8 2HG PRO 8 1.797 -10.993 -9.238 52 2HG PRO 8 1HG PRO 8 2.099 -12.155 -10.540 53 1HD PRO 8 2HD PRO 8 -0.317 -11.875 -9.252 54 2HD PRO 8 1HD PRO 8 0.222 -13.353 -10.076 55 H ALA 9 H ALA 9 2.855 -13.498 -5.068 56 HA ALA 9 HA ALA 9 2.372 -10.616 -4.406 57 1HB ALA 9 1HB ALA 9 0.600 -12.439 -3.689 58 2HB ALA 9 2HB ALA 9 1.081 -11.184 -2.546 59 3HB ALA 9 3HB ALA 9 1.782 -12.798 -2.430 60 H SER 10 H SER 10 4.803 -12.352 -4.986 61 HA SER 10 HA SER 10 6.585 -11.260 -3.030 62 1HB SER 10 2HB SER 10 5.136 -13.676 -2.334 63 2HB SER 10 1HB SER 10 6.872 -13.973 -2.338 64 HG SER 10 HG SER 10 5.410 -12.690 -0.526 65 H GLY 11 H GLY 11 8.748 -11.636 -3.662 66 1HA GLY 11 2HA GLY 11 10.499 -12.324 -5.068 67 2HA GLY 11 1HA GLY 11 9.612 -13.835 -5.275 68 H LEU 12 H LEU 12 9.126 -10.416 -6.249 69 HA LEU 12 HA LEU 12 8.216 -11.415 -8.919 70 1HB LEU 12 2HB LEU 12 7.940 -8.660 -7.694 71 2HB LEU 12 1HB LEU 12 7.021 -9.331 -9.041 72 HG LEU 12 HG LEU 12 6.972 -10.504 -6.249 73 1HD1 LEU 12 1HD1 LEU 12 5.858 -8.059 -7.107 74 2HD1 LEU 12 2HD1 LEU 12 5.474 -8.940 -5.628 75 3HD1 LEU 12 3HD1 LEU 12 4.522 -9.212 -7.088 76 1HD2 LEU 12 1HD2 LEU 12 5.119 -10.834 -8.633 77 2HD2 LEU 12 2HD2 LEU 12 4.994 -11.676 -7.089 78 3HD2 LEU 12 3HD2 LEU 12 6.358 -11.995 -8.159 79 H SER 13 H SER 13 8.781 -9.724 -10.720 80 HA SER 13 HA SER 13 11.564 -8.715 -10.348 81 1HB SER 13 2HB SER 13 11.502 -10.914 -11.489 82 2HB SER 13 1HB SER 13 10.422 -10.240 -12.706 83 HG SER 13 HG SER 13 12.766 -10.270 -13.184 84 H ASP 14 H ASP 14 12.047 -6.823 -11.544 85 HA ASP 14 HA ASP 14 9.974 -4.963 -12.056 86 1HB ASP 14 2HB ASP 14 11.841 -3.778 -13.295 87 2HB ASP 14 1HB ASP 14 12.268 -4.315 -11.672 88 H GLY 15 H GLY 15 8.457 -5.042 -13.670 89 1HA GLY 15 2HA GLY 15 7.955 -4.891 -16.054 90 2HA GLY 15 1HA GLY 15 9.317 -5.968 -16.359 91 H GLN 16 H GLN 16 8.643 -7.868 -14.256 92 HA GLN 16 HA GLN 16 7.104 -9.756 -15.607 93 1HB GLN 16 2HB GLN 16 8.435 -10.138 -13.558 94 2HB GLN 16 1HB GLN 16 7.243 -9.235 -12.620 95 1HG GLN 16 2HG GLN 16 5.514 -10.861 -13.155 96 2HG GLN 16 1HG GLN 16 6.611 -11.721 -14.235 97 1HE2 GLN 16 1HE2 GLN 16 6.126 -13.619 -12.731 98 2HE2 GLN 16 2HE2 GLN 16 7.034 -13.759 -11.304 99 H SER 17 H SER 17 4.883 -10.318 -15.617 100 HA SER 17 HA SER 17 3.031 -8.073 -15.003 101 1HB SER 17 2HB SER 17 1.756 -8.965 -16.715 102 2HB SER 17 1HB SER 17 3.340 -9.559 -17.200 103 HG SER 17 HG SER 17 1.325 -10.921 -15.730 104 H VAL 18 H VAL 18 0.756 -8.988 -14.297 105 HA VAL 18 HA VAL 18 0.899 -11.283 -12.458 106 HB VAL 18 HB VAL 18 0.289 -9.824 -10.517 107 1HG1 VAL 18 1HG1 VAL 18 2.839 -8.857 -11.829 108 2HG1 VAL 18 2HG1 VAL 18 2.683 -10.468 -11.129 109 3HG1 VAL 18 3HG1 VAL 18 2.512 -9.042 -10.106 110 1HG2 VAL 18 1HG2 VAL 18 0.805 -7.335 -10.882 111 2HG2 VAL 18 2HG2 VAL 18 -0.700 -7.928 -11.586 112 3HG2 VAL 18 3HG2 VAL 18 0.712 -7.677 -12.611 113 H SER 19 H SER 19 -1.312 -11.552 -11.363 114 HA SER 19 HA SER 19 -3.453 -10.593 -13.226 115 1HB SER 19 2HB SER 19 -3.003 -13.138 -11.669 116 2HB SER 19 1HB SER 19 -4.586 -12.734 -12.329 117 HG SER 19 HG SER 19 -2.416 -12.468 -14.046 118 H VAL 20 H VAL 20 -4.807 -9.152 -12.289 119 HA VAL 20 HA VAL 20 -5.008 -9.114 -9.313 120 HB VAL 20 HB VAL 20 -5.286 -7.122 -11.551 121 1HG1 VAL 20 1HG1 VAL 20 -6.261 -5.496 -10.025 122 2HG1 VAL 20 2HG1 VAL 20 -6.225 -6.659 -8.699 123 3HG1 VAL 20 3HG1 VAL 20 -7.308 -6.915 -10.068 124 1HG2 VAL 20 1HG2 VAL 20 -3.876 -7.014 -8.873 125 2HG2 VAL 20 2HG2 VAL 20 -3.678 -5.894 -10.218 126 3HG2 VAL 20 3HG2 VAL 20 -3.115 -7.558 -10.368 127 H SER 21 H SER 21 -7.012 -9.316 -8.350 128 HA SER 21 HA SER 21 -9.401 -9.572 -10.135 129 1HB SER 21 2HB SER 21 -8.462 -11.506 -8.000 130 2HB SER 21 1HB SER 21 -9.989 -11.638 -8.866 131 HG SER 21 HG SER 21 -7.535 -12.420 -9.615 132 H VAL 22 H VAL 22 -11.024 -8.336 -9.333 133 HA VAL 22 HA VAL 22 -10.986 -7.656 -6.410 134 HB VAL 22 HB VAL 22 -12.014 -6.119 -8.815 135 1HG1 VAL 22 1HG1 VAL 22 -11.549 -5.067 -6.024 136 2HG1 VAL 22 2HG1 VAL 22 -13.097 -5.771 -6.493 137 3HG1 VAL 22 3HG1 VAL 22 -12.489 -4.340 -7.327 138 1HG2 VAL 22 1HG2 VAL 22 -10.053 -4.728 -8.561 139 2HG2 VAL 22 2HG2 VAL 22 -9.501 -6.403 -8.634 140 3HG2 VAL 22 3HG2 VAL 22 -9.585 -5.567 -7.082 141 H SER 23 H SER 23 -12.754 -8.382 -5.291 142 HA SER 23 HA SER 23 -15.306 -8.843 -6.781 143 1HB SER 23 2HB SER 23 -14.693 -10.706 -4.593 144 2HB SER 23 1HB SER 23 -15.293 -11.045 -6.212 145 HG SER 23 HG SER 23 -12.996 -11.660 -5.493 146 H GLY 24 H GLY 24 -16.611 -7.292 -5.844 147 1HA GLY 24 2HA GLY 24 -17.864 -7.398 -3.462 148 2HA GLY 24 1HA GLY 24 -16.332 -6.682 -2.976 149 H ALA 25 H ALA 25 -15.731 -4.601 -3.943 150 HA ALA 25 HA ALA 25 -17.598 -2.575 -3.844 151 1HB ALA 25 1HB ALA 25 -15.435 -1.818 -4.083 152 2HB ALA 25 2HB ALA 25 -15.952 -1.629 -5.756 153 3HB ALA 25 3HB ALA 25 -15.031 -3.052 -5.275 154 H ALA 26 H ALA 26 -19.361 -1.973 -5.110 155 HA ALA 26 HA ALA 26 -19.764 -3.406 -7.702 156 1HB ALA 26 1HB ALA 26 -21.685 -1.873 -5.937 157 2HB ALA 26 2HB ALA 26 -21.431 -3.618 -5.872 158 3HB ALA 26 3HB ALA 26 -22.122 -2.879 -7.317 159 H ALA 27 H ALA 27 -20.656 -2.250 -9.501 160 HA ALA 27 HA ALA 27 -19.334 -0.098 -10.521 161 1HB ALA 27 1HB ALA 27 -20.914 -1.298 -11.838 162 2HB ALA 27 2HB ALA 27 -21.548 0.346 -11.749 163 3HB ALA 27 3HB ALA 27 -22.233 -0.920 -10.729 164 H GLY 28 H GLY 28 -19.380 2.115 -10.344 165 1HA GLY 28 2HA GLY 28 -20.908 4.078 -9.720 166 2HA GLY 28 1HA GLY 28 -21.101 3.226 -8.192 167 H GLU 29 H GLU 29 -17.960 2.755 -9.337 168 HA GLU 29 HA GLU 29 -16.857 5.269 -8.292 169 1HB GLU 29 2HB GLU 29 -17.424 4.221 -6.222 170 2HB GLU 29 1HB GLU 29 -16.815 2.659 -6.772 171 1HG GLU 29 2HG GLU 29 -15.238 3.797 -5.215 172 2HG GLU 29 1HG GLU 29 -14.531 3.520 -6.809 173 H THR 30 H THR 30 -14.834 5.598 -9.124 174 HA THR 30 HA THR 30 -13.559 3.348 -10.621 175 HB THR 30 HB THR 30 -13.155 6.360 -10.746 176 HG1 THR 30 HG1 THR 30 -15.209 5.782 -11.448 177 1HG2 THR 30 1HG2 THR 30 -11.717 6.011 -12.527 178 2HG2 THR 30 2HG2 THR 30 -12.437 4.455 -12.940 179 3HG2 THR 30 3HG2 THR 30 -11.354 4.587 -11.554 180 H TYR 31 H TYR 31 -11.751 2.468 -9.664 181 HA TYR 31 HA TYR 31 -10.457 3.991 -7.451 182 1HB TYR 31 2HB TYR 31 -10.311 1.081 -8.279 183 2HB TYR 31 1HB TYR 31 -9.669 1.767 -6.785 184 HD1 TYR 31 HD1 TYR 31 -12.686 0.705 -8.573 185 HD2 TYR 31 HD2 TYR 31 -11.186 2.666 -5.059 186 HE1 TYR 31 HE1 TYR 31 -14.909 0.476 -7.491 187 HE2 TYR 31 HE2 TYR 31 -13.405 2.436 -3.977 188 HH TYR 31 HH TYR 31 -15.531 0.507 -4.544 189 H TYR 32 H TYR 32 -8.032 3.502 -7.259 190 HA TYR 32 HA TYR 32 -6.728 3.615 -9.959 191 1HB TYR 32 2HB TYR 32 -6.110 5.091 -7.375 192 2HB TYR 32 1HB TYR 32 -5.152 5.211 -8.850 193 HD1 TYR 32 HD1 TYR 32 -8.060 6.393 -7.085 194 HD2 TYR 32 HD2 TYR 32 -6.297 6.037 -10.984 195 HE1 TYR 32 HE1 TYR 32 -9.605 8.132 -7.938 196 HE2 TYR 32 HE2 TYR 32 -7.843 7.778 -11.841 197 HH TYR 32 HH TYR 32 -9.447 9.228 -11.327 198 H ILE 33 H ILE 33 -5.954 1.466 -10.004 199 HA ILE 33 HA ILE 33 -4.688 0.308 -7.601 200 HB ILE 33 HB ILE 33 -6.170 -0.939 -9.196 201 1HG1 ILE 33 2HG1 ILE 33 -3.483 -2.227 -9.459 202 2HG1 ILE 33 1HG1 ILE 33 -4.052 -1.870 -7.829 203 1HG2 ILE 33 1HG2 ILE 33 -5.585 -1.290 -11.421 204 2HG2 ILE 33 2HG2 ILE 33 -3.870 -1.011 -11.120 205 3HG2 ILE 33 3HG2 ILE 33 -4.987 0.351 -11.172 206 1HD1 ILE 33 1HD1 ILE 33 -6.106 -3.134 -8.229 207 2HD1 ILE 33 2HD1 ILE 33 -4.713 -4.154 -8.595 208 3HD1 ILE 33 3HD1 ILE 33 -5.636 -3.417 -9.905 209 H ALA 34 H ALA 34 -2.707 1.243 -7.193 210 HA ALA 34 HA ALA 34 -0.609 0.947 -9.279 211 1HB ALA 34 1HB ALA 34 -0.990 3.537 -7.774 212 2HB ALA 34 2HB ALA 34 -1.824 3.236 -9.299 213 3HB ALA 34 3HB ALA 34 -0.061 3.255 -9.247 214 H GLN 35 H GLN 35 1.595 1.330 -8.300 215 HA GLN 35 HA GLN 35 1.664 0.308 -5.505 216 1HB GLN 35 2HB GLN 35 3.333 0.229 -7.952 217 2HB GLN 35 1HB GLN 35 4.230 0.318 -6.436 218 1HG GLN 35 2HG GLN 35 2.723 -1.583 -5.609 219 2HG GLN 35 1HG GLN 35 2.231 -1.778 -7.293 220 1HE2 GLN 35 1HE2 GLN 35 3.868 -2.516 -8.841 221 2HE2 GLN 35 2HE2 GLN 35 5.325 -3.211 -8.312 222 H CYS 36 H CYS 36 2.713 1.483 -3.844 223 HA CYS 36 HA CYS 36 3.965 4.087 -4.572 224 1HB CYS 36 2HB CYS 36 1.570 3.612 -2.791 225 2HB CYS 36 1HB CYS 36 2.512 5.100 -2.727 226 H ALA 37 H ALA 37 5.415 4.869 -2.967 227 HA ALA 37 HA ALA 37 5.814 3.266 -0.498 228 1HB ALA 37 1HB ALA 37 8.003 3.781 -2.532 229 2HB ALA 37 2HB ALA 37 7.098 2.270 -2.444 230 3HB ALA 37 3HB ALA 37 8.109 2.772 -1.091 231 HA PRO 38 HA PRO 38 6.967 7.159 1.144 232 1HB PRO 38 2HB PRO 38 9.035 6.544 2.827 233 2HB PRO 38 1HB PRO 38 7.341 6.162 3.185 234 1HG PRO 38 2HG PRO 38 9.495 4.394 2.127 235 2HG PRO 38 1HG PRO 38 8.225 4.037 3.308 236 1HD PRO 38 2HD PRO 38 8.090 3.253 0.706 237 2HD PRO 38 1HD PRO 38 6.651 3.611 1.685 238 H VAL 39 H VAL 39 8.723 8.784 1.184 239 HA VAL 39 HA VAL 39 11.087 8.127 -0.513 240 HB VAL 39 HB VAL 39 9.142 8.994 -1.866 241 1HG1 VAL 39 1HG1 VAL 39 8.278 10.491 -0.050 242 2HG1 VAL 39 2HG1 VAL 39 8.484 11.324 -1.591 243 3HG1 VAL 39 3HG1 VAL 39 9.672 11.543 -0.306 244 1HG2 VAL 39 1HG2 VAL 39 11.701 9.427 -2.284 245 2HG2 VAL 39 2HG2 VAL 39 11.305 11.087 -1.844 246 3HG2 VAL 39 3HG2 VAL 39 10.510 10.328 -3.222 247 H GLY 40 H GLY 40 12.577 10.174 -0.539 248 1HA GLY 40 2HA GLY 40 13.487 10.767 2.036 249 2HA GLY 40 1HA GLY 40 13.779 11.814 0.647 250 H GLY 41 H GLY 41 11.208 12.678 0.053 251 1HA GLY 41 2HA GLY 41 10.824 14.733 2.023 252 2HA GLY 41 1HA GLY 41 9.729 14.389 0.686 253 H GLN 42 H GLN 42 8.463 12.259 1.020 254 HA GLN 42 HA GLN 42 7.921 11.478 3.787 255 1HB GLN 42 2HB GLN 42 6.720 13.778 2.791 256 2HB GLN 42 1HB GLN 42 5.483 12.540 2.572 257 1HG GLN 42 2HG GLN 42 6.814 12.290 5.147 258 2HG GLN 42 1HG GLN 42 6.064 13.873 4.946 259 1HE2 GLN 42 1HE2 GLN 42 5.047 11.865 6.778 260 2HE2 GLN 42 2HE2 GLN 42 3.511 11.399 6.227 261 H ASP 43 H ASP 43 5.806 11.689 0.923 262 HA ASP 43 HA ASP 43 5.919 8.704 0.709 263 1HB ASP 43 2HB ASP 43 3.401 8.974 0.201 264 2HB ASP 43 1HB ASP 43 3.905 9.185 1.877 265 H ALA 44 H ALA 44 5.332 7.923 -1.451 266 HA ALA 44 HA ALA 44 5.187 9.930 -3.627 267 1HB ALA 44 1HB ALA 44 7.553 9.719 -3.314 268 2HB ALA 44 2HB ALA 44 7.164 8.712 -4.710 269 3HB ALA 44 3HB ALA 44 7.439 7.969 -3.134 270 H CYS 45 H CYS 45 4.793 8.796 -5.754 271 HA CYS 45 HA CYS 45 3.741 6.018 -5.455 272 1HB CYS 45 2HB CYS 45 2.296 8.559 -6.061 273 2HB CYS 45 1HB CYS 45 1.789 7.113 -6.932 274 H ASN 46 H ASN 46 3.220 5.096 -7.683 275 HA ASN 46 HA ASN 46 5.290 6.016 -9.624 276 1HB ASN 46 2HB ASN 46 4.975 3.625 -8.620 277 2HB ASN 46 1HB ASN 46 3.650 3.495 -9.777 278 1HD2 ASN 46 1HD2 ASN 46 5.298 5.412 -11.611 279 2HD2 ASN 46 2HD2 ASN 46 6.426 4.376 -12.341 280 HA PRO 47 HA PRO 47 1.592 7.634 -11.690 281 1HB PRO 47 2HB PRO 47 2.958 9.452 -13.206 282 2HB PRO 47 1HB PRO 47 2.481 9.761 -11.524 283 1HG PRO 47 2HG PRO 47 5.128 8.946 -12.620 284 2HG PRO 47 1HG PRO 47 4.747 10.069 -11.304 285 1HD PRO 47 2HD PRO 47 5.601 7.505 -10.897 286 2HD PRO 47 1HD PRO 47 4.582 8.398 -9.748 287 H ALA 48 H ALA 48 4.700 6.684 -13.094 288 HA ALA 48 HA ALA 48 3.902 6.416 -15.814 289 1HB ALA 48 1HB ALA 48 5.979 5.179 -14.023 290 2HB ALA 48 2HB ALA 48 6.201 6.354 -15.318 291 3HB ALA 48 3HB ALA 48 5.840 4.672 -15.705 292 H THR 49 H THR 49 3.907 4.028 -13.171 293 HA THR 49 HA THR 49 2.407 2.127 -14.900 294 HB THR 49 HB THR 49 2.968 0.562 -13.039 295 HG1 THR 49 HG1 THR 49 2.971 2.034 -11.342 296 1HG2 THR 49 1HG2 THR 49 4.714 0.362 -14.477 297 2HG2 THR 49 2HG2 THR 49 5.607 1.239 -13.235 298 3HG2 THR 49 3HG2 THR 49 4.925 2.109 -14.609 299 H ALA 50 H ALA 50 1.271 4.649 -13.594 300 HA ALA 50 HA ALA 50 -0.571 3.600 -11.547 301 1HB ALA 50 1HB ALA 50 -0.487 6.289 -12.943 302 2HB ALA 50 2HB ALA 50 0.521 5.880 -11.556 303 3HB ALA 50 3HB ALA 50 -1.233 5.924 -11.388 304 H THR 51 H THR 51 -2.252 2.361 -12.329 305 HA THR 51 HA THR 51 -3.625 3.285 -14.814 306 HB THR 51 HB THR 51 -2.396 1.047 -14.751 307 HG1 THR 51 HG1 THR 51 -4.500 -0.037 -15.480 308 1HG2 THR 51 1HG2 THR 51 -3.187 0.572 -12.383 309 2HG2 THR 51 2HG2 THR 51 -3.355 -0.761 -13.524 310 3HG2 THR 51 3HG2 THR 51 -4.764 0.201 -13.078 311 H SER 52 H SER 52 -5.773 3.828 -14.609 312 HA SER 52 HA SER 52 -7.066 3.358 -11.950 313 1HB SER 52 2HB SER 52 -6.621 5.687 -12.842 314 2HB SER 52 1HB SER 52 -7.759 5.338 -14.140 315 HG SER 52 HG SER 52 -9.034 6.192 -12.626 316 H PHE 53 H PHE 53 -8.994 2.208 -11.875 317 HA PHE 53 HA PHE 53 -10.335 1.510 -14.457 318 1HB PHE 53 2HB PHE 53 -10.375 -0.799 -13.794 319 2HB PHE 53 1HB PHE 53 -8.723 -0.244 -13.524 320 HD1 PHE 53 HD1 PHE 53 -11.785 -1.470 -11.965 321 HD2 PHE 53 HD2 PHE 53 -7.972 0.362 -11.207 322 HE1 PHE 53 HE1 PHE 53 -11.967 -2.082 -9.566 323 HE2 PHE 53 HE2 PHE 53 -8.155 -0.250 -8.811 324 HZ PHE 53 HZ PHE 53 -10.151 -1.473 -7.991 325 H THR 54 H THR 54 -12.487 0.228 -13.714 326 HA THR 54 HA THR 54 -13.689 1.607 -11.367 327 HB THR 54 HB THR 54 -14.891 1.386 -14.140 328 HG1 THR 54 HG1 THR 54 -13.688 3.053 -14.509 329 1HG2 THR 54 1HG2 THR 54 -16.304 1.552 -11.912 330 2HG2 THR 54 2HG2 THR 54 -16.738 2.517 -13.322 331 3HG2 THR 54 3HG2 THR 54 -15.832 3.248 -11.998 332 H THR 55 H THR 55 -15.501 0.417 -10.443 333 HA THR 55 HA THR 55 -15.274 -2.438 -10.562 334 HB THR 55 HB THR 55 -17.622 -2.181 -9.436 335 HG1 THR 55 HG1 THR 55 -18.217 -0.157 -9.034 336 1HG2 THR 55 1HG2 THR 55 -14.988 -1.107 -8.474 337 2HG2 THR 55 2HG2 THR 55 -15.828 -2.586 -8.000 338 3HG2 THR 55 3HG2 THR 55 -16.414 -1.021 -7.442 339 H ASP 56 H ASP 56 -17.911 -3.394 -10.841 340 HA ASP 56 HA ASP 56 -18.718 -2.620 -13.625 341 1HB ASP 56 2HB ASP 56 -17.010 -4.651 -13.208 342 2HB ASP 56 1HB ASP 56 -18.525 -5.516 -12.950 343 H ALA 57 H ALA 57 -20.596 -4.617 -14.039 344 HA ALA 57 HA ALA 57 -22.830 -3.731 -12.505 345 1HB ALA 57 1HB ALA 57 -23.335 -4.658 -14.589 346 2HB ALA 57 2HB ALA 57 -23.726 -6.007 -13.524 347 3HB ALA 57 3HB ALA 57 -22.184 -5.978 -14.379 348 H SER 58 H SER 58 -20.914 -6.706 -12.353 349 HA SER 58 HA SER 58 -22.241 -7.511 -9.841 350 1HB SER 58 2HB SER 58 -21.779 -9.171 -11.573 351 2HB SER 58 1HB SER 58 -20.082 -8.702 -11.622 352 HG SER 58 HG SER 58 -19.931 -10.270 -10.208 353 H GLY 59 H GLY 59 -20.216 -5.152 -10.367 354 1HA GLY 59 2HA GLY 59 -18.456 -4.133 -9.195 355 2HA GLY 59 1HA GLY 59 -19.012 -5.074 -7.812 356 H ALA 60 H ALA 60 -17.947 -6.561 -10.793 357 HA ALA 60 HA ALA 60 -15.629 -7.705 -9.293 358 1HB ALA 60 1HB ALA 60 -15.886 -9.590 -10.876 359 2HB ALA 60 2HB ALA 60 -17.183 -8.718 -11.692 360 3HB ALA 60 3HB ALA 60 -17.400 -9.266 -10.030 361 H ALA 61 H ALA 61 -13.588 -7.309 -10.083 362 HA ALA 61 HA ALA 61 -13.329 -6.274 -12.871 363 1HB ALA 61 1HB ALA 61 -12.577 -5.049 -10.248 364 2HB ALA 61 2HB ALA 61 -13.251 -4.283 -11.685 365 3HB ALA 61 3HB ALA 61 -11.546 -4.735 -11.643 366 H SER 62 H SER 62 -12.475 -8.462 -13.319 367 HA SER 62 HA SER 62 -9.838 -9.088 -12.043 368 1HB SER 62 2HB SER 62 -11.001 -10.973 -13.974 369 2HB SER 62 1HB SER 62 -10.486 -11.257 -12.315 370 HG SER 62 HG SER 62 -12.851 -11.366 -12.904 371 H PHE 63 H PHE 63 -8.147 -8.178 -13.183 372 HA PHE 63 HA PHE 63 -8.101 -8.560 -16.143 373 1HB PHE 63 2HB PHE 63 -7.399 -6.125 -16.306 374 2HB PHE 63 1HB PHE 63 -9.081 -6.386 -15.842 375 HD1 PHE 63 HD1 PHE 63 -9.915 -5.586 -13.777 376 HD2 PHE 63 HD2 PHE 63 -5.678 -5.734 -14.463 377 HE1 PHE 63 HE1 PHE 63 -9.531 -4.334 -11.668 378 HE2 PHE 63 HE2 PHE 63 -5.291 -4.484 -12.356 379 HZ PHE 63 HZ PHE 63 -7.217 -3.785 -10.957 380 H SER 64 H SER 64 -5.856 -7.621 -16.939 381 HA SER 64 HA SER 64 -3.773 -8.896 -15.255 382 1HB SER 64 2HB SER 64 -4.108 -8.023 -18.105 383 2HB SER 64 1HB SER 64 -2.486 -8.308 -17.480 384 HG SER 64 HG SER 64 -4.655 -10.090 -17.758 385 H PHE 65 H PHE 65 -1.971 -7.765 -14.476 386 HA PHE 65 HA PHE 65 -1.821 -4.818 -14.968 387 1HB PHE 65 2HB PHE 65 -3.122 -5.209 -12.921 388 2HB PHE 65 1HB PHE 65 -1.867 -6.282 -12.304 389 HD1 PHE 65 HD1 PHE 65 -0.425 -5.367 -10.734 390 HD2 PHE 65 HD2 PHE 65 -2.094 -2.826 -13.767 391 HE1 PHE 65 HE1 PHE 65 0.773 -3.426 -9.765 392 HE2 PHE 65 HE2 PHE 65 -0.895 -0.883 -12.797 393 HZ PHE 65 HZ PHE 65 0.540 -1.186 -10.798 394 H VAL 66 H VAL 66 0.385 -4.036 -13.832 395 HA VAL 66 HA VAL 66 2.456 -6.176 -14.175 396 HB VAL 66 HB VAL 66 2.597 -3.302 -15.104 397 1HG1 VAL 66 1HG1 VAL 66 4.369 -5.723 -15.409 398 2HG1 VAL 66 2HG1 VAL 66 4.795 -4.132 -14.780 399 3HG1 VAL 66 3HG1 VAL 66 4.479 -4.344 -16.502 400 1HG2 VAL 66 1HG2 VAL 66 0.865 -4.632 -16.309 401 2HG2 VAL 66 2HG2 VAL 66 2.101 -5.826 -16.708 402 3HG2 VAL 66 3HG2 VAL 66 2.216 -4.187 -17.351 403 H VAL 67 H VAL 67 4.558 -5.567 -13.132 404 HA VAL 67 HA VAL 67 4.304 -3.586 -10.906 405 HB VAL 67 HB VAL 67 5.320 -5.409 -9.434 406 1HG1 VAL 67 1HG1 VAL 67 3.200 -5.618 -8.721 407 2HG1 VAL 67 2HG1 VAL 67 2.835 -6.691 -10.072 408 3HG1 VAL 67 3HG1 VAL 67 2.633 -4.949 -10.251 409 1HG2 VAL 67 1HG2 VAL 67 4.219 -7.426 -11.328 410 2HG2 VAL 67 2HG2 VAL 67 5.581 -7.556 -10.215 411 3HG2 VAL 67 3HG2 VAL 67 5.775 -6.715 -11.754 412 H ARG 68 H ARG 68 6.161 -2.364 -10.797 413 HA ARG 68 HA ARG 68 8.590 -3.397 -12.208 414 1HB ARG 68 2HB ARG 68 7.391 -1.271 -12.924 415 2HB ARG 68 1HB ARG 68 7.900 -0.565 -11.388 416 1HG ARG 68 2HG ARG 68 9.558 0.068 -13.000 417 2HG ARG 68 1HG ARG 68 10.281 -1.210 -12.021 418 1HD ARG 68 2HD ARG 68 9.461 -2.861 -13.804 419 2HD ARG 68 1HD ARG 68 9.146 -1.437 -14.818 420 HE ARG 68 HE ARG 68 11.839 -1.860 -13.590 421 1HH1 ARG 68 1HH1 ARG 68 11.637 -3.310 -16.126 422 2HH1 ARG 68 2HH1 ARG 68 12.088 -2.124 -17.304 423 1HH2 ARG 68 1HH2 ARG 68 11.609 0.564 -15.166 424 2HH2 ARG 68 2HH2 ARG 68 12.072 0.071 -16.760 425 H LYS 69 H LYS 69 10.584 -3.409 -11.102 426 HA LYS 69 HA LYS 69 10.523 -3.631 -8.225 427 1HB LYS 69 2HB LYS 69 12.061 -4.807 -9.813 428 2HB LYS 69 1HB LYS 69 12.858 -3.266 -10.126 429 1HG LYS 69 2HG LYS 69 13.320 -3.078 -7.664 430 2HG LYS 69 1HG LYS 69 12.688 -4.713 -7.472 431 1HD LYS 69 2HD LYS 69 15.043 -4.985 -7.673 432 2HD LYS 69 1HD LYS 69 14.394 -5.414 -9.256 433 1HE LYS 69 2HE LYS 69 15.315 -3.570 -10.278 434 2HE LYS 69 1HE LYS 69 15.077 -2.541 -8.851 435 1HZ LYS 69 1HZ LYS 69 16.996 -4.798 -8.903 436 2HZ LYS 69 2HZ LYS 69 16.873 -3.565 -7.742 437 3HZ LYS 69 3HZ LYS 69 17.444 -3.212 -9.303 438 H SER 70 H SER 70 11.624 -1.082 -10.458 439 HA SER 70 HA SER 70 11.707 0.797 -8.122 440 1HB SER 70 2HB SER 70 13.849 1.429 -8.674 441 2HB SER 70 1HB SER 70 13.906 -0.207 -9.323 442 HG SER 70 HG SER 70 14.335 1.962 -10.644 443 H TYR 71 H TYR 71 11.203 3.031 -8.708 444 HA TYR 71 HA TYR 71 10.406 3.644 -11.480 445 1HB TYR 71 2HB TYR 71 8.037 3.852 -10.988 446 2HB TYR 71 1HB TYR 71 8.560 2.242 -10.488 447 HD1 TYR 71 HD1 TYR 71 8.032 5.711 -9.202 448 HD2 TYR 71 HD2 TYR 71 8.263 1.526 -8.263 449 HE1 TYR 71 HE1 TYR 71 7.286 6.192 -6.886 450 HE2 TYR 71 HE2 TYR 71 7.516 2.002 -5.945 451 HH TYR 71 HH TYR 71 5.979 4.452 -4.975 452 H THR 72 H THR 72 10.142 5.903 -11.784 453 HA THR 72 HA THR 72 11.436 7.680 -9.972 454 HB THR 72 HB THR 72 9.445 8.089 -12.221 455 HG1 THR 72 HG1 THR 72 11.410 8.618 -13.318 456 1HG2 THR 72 1HG2 THR 72 9.525 10.052 -10.694 457 2HG2 THR 72 2HG2 THR 72 10.199 10.412 -12.284 458 3HG2 THR 72 3HG2 THR 72 11.273 10.123 -10.914 459 H GLY 73 H GLY 73 10.655 8.150 -7.939 460 1HA GLY 73 2HA GLY 73 7.712 8.291 -7.534 461 2HA GLY 73 1HA GLY 73 8.914 8.167 -6.248 462 H SER 74 H SER 74 6.760 10.179 -6.589 463 HA SER 74 HA SER 74 8.498 12.610 -6.473 464 1HB SER 74 2HB SER 74 6.004 12.097 -8.088 465 2HB SER 74 1HB SER 74 6.514 13.734 -7.691 466 HG SER 74 HG SER 74 7.617 11.871 -9.421 467 H THR 75 H THR 75 7.658 14.263 -5.064 468 HA THR 75 HA THR 75 6.137 13.319 -2.798 469 HB THR 75 HB THR 75 6.355 15.720 -2.137 470 HG1 THR 75 HG1 THR 75 6.186 16.875 -3.932 471 1HG2 THR 75 1HG2 THR 75 8.417 15.107 -1.496 472 2HG2 THR 75 2HG2 THR 75 9.023 15.496 -3.106 473 3HG2 THR 75 3HG2 THR 75 8.444 13.869 -2.750 474 HA PRO 76 HA PRO 76 2.042 14.318 -4.009 475 1HB PRO 76 2HB PRO 76 0.966 15.329 -1.710 476 2HB PRO 76 1HB PRO 76 1.341 13.609 -1.927 477 1HG PRO 76 2HG PRO 76 2.856 15.702 -0.457 478 2HG PRO 76 1HG PRO 76 2.625 13.990 -0.069 479 1HD PRO 76 2HD PRO 76 4.913 15.020 -1.190 480 2HD PRO 76 1HD PRO 76 4.394 13.330 -1.356 481 H GLU 77 H GLU 77 4.024 16.852 -2.642 482 HA GLU 77 HA GLU 77 2.254 19.080 -3.112 483 1HB GLU 77 2HB GLU 77 4.898 18.517 -2.150 484 2HB GLU 77 1HB GLU 77 4.998 19.826 -3.329 485 1HG GLU 77 2HG GLU 77 2.871 19.869 -1.200 486 2HG GLU 77 1HG GLU 77 4.506 20.423 -0.834 487 H GLY 78 H GLY 78 4.110 17.091 -5.228 488 1HA GLY 78 2HA GLY 78 3.788 17.211 -7.638 489 2HA GLY 78 1HA GLY 78 3.478 18.941 -7.474 490 H THR 79 H THR 79 6.151 17.148 -5.990 491 HA THR 79 HA THR 79 8.044 18.565 -7.824 492 HB THR 79 HB THR 79 7.887 18.521 -4.812 493 HG1 THR 79 HG1 THR 79 8.129 20.474 -6.839 494 1HG2 THR 79 1HG2 THR 79 10.166 19.492 -4.770 495 2HG2 THR 79 2HG2 THR 79 10.308 19.200 -6.504 496 3HG2 THR 79 3HG2 THR 79 10.173 17.840 -5.388 497 HA PRO 80 HA PRO 80 9.539 14.358 -7.841 498 1HB PRO 80 2HB PRO 80 11.419 14.723 -9.787 499 2HB PRO 80 1HB PRO 80 9.689 14.546 -10.140 500 1HG PRO 80 2HG PRO 80 11.363 16.998 -10.075 501 2HG PRO 80 1HG PRO 80 9.997 16.588 -11.122 502 1HD PRO 80 2HD PRO 80 9.849 18.274 -8.939 503 2HD PRO 80 1HD PRO 80 8.466 17.416 -9.651 504 H VAL 81 H VAL 81 11.032 13.599 -6.382 505 HA VAL 81 HA VAL 81 13.295 15.379 -5.596 506 HB VAL 81 HB VAL 81 12.299 12.844 -4.279 507 1HG1 VAL 81 1HG1 VAL 81 13.162 14.166 -2.246 508 2HG1 VAL 81 2HG1 VAL 81 13.934 15.234 -3.419 509 3HG1 VAL 81 3HG1 VAL 81 14.377 13.529 -3.356 510 1HG2 VAL 81 1HG2 VAL 81 11.154 14.758 -2.791 511 2HG2 VAL 81 2HG2 VAL 81 10.327 14.041 -4.174 512 3HG2 VAL 81 3HG2 VAL 81 11.141 15.597 -4.342 513 H GLY 82 H GLY 82 12.557 12.121 -6.756 514 1HA GLY 82 2HA GLY 82 14.935 11.760 -8.211 515 2HA GLY 82 1HA GLY 82 15.237 11.101 -6.603 516 H SER 83 H SER 83 15.335 8.944 -7.421 517 HA SER 83 HA SER 83 12.765 7.869 -8.515 518 1HB SER 83 2HB SER 83 15.562 6.713 -8.503 519 2HB SER 83 1HB SER 83 14.176 6.071 -9.383 520 HG SER 83 HG SER 83 15.441 8.596 -9.735 521 H VAL 84 H VAL 84 11.686 6.291 -7.372 522 HA VAL 84 HA VAL 84 12.609 5.702 -4.623 523 HB VAL 84 HB VAL 84 10.062 5.226 -6.198 524 1HG1 VAL 84 1HG1 VAL 84 9.610 3.608 -4.689 525 2HG1 VAL 84 2HG1 VAL 84 9.495 4.898 -3.491 526 3HG1 VAL 84 3HG1 VAL 84 11.014 4.029 -3.710 527 1HG2 VAL 84 1HG2 VAL 84 10.674 7.031 -3.831 528 2HG2 VAL 84 2HG2 VAL 84 9.142 6.933 -4.698 529 3HG2 VAL 84 3HG2 VAL 84 10.572 7.571 -5.506 530 H ASP 85 H ASP 85 13.427 3.689 -4.063 531 HA ASP 85 HA ASP 85 13.348 1.569 -6.182 532 1HB ASP 85 2HB ASP 85 15.564 2.540 -5.572 533 2HB ASP 85 1HB ASP 85 15.303 2.033 -3.901 534 H CYS 86 H CYS 86 12.435 -0.391 -5.626 535 HA CYS 86 HA CYS 86 11.090 -0.619 -3.021 536 1HB CYS 86 2HB CYS 86 10.437 -1.304 -5.526 537 2HB CYS 86 1HB CYS 86 11.189 -2.820 -5.030 538 H ALA 87 H ALA 87 14.197 -1.245 -4.000 539 HA ALA 87 HA ALA 87 14.635 -3.889 -2.894 540 1HB ALA 87 1HB ALA 87 16.906 -3.405 -3.387 541 2HB ALA 87 2HB ALA 87 16.661 -1.670 -3.184 542 3HB ALA 87 3HB ALA 87 15.995 -2.496 -4.593 543 H THR 88 H THR 88 15.737 -0.689 -1.677 544 HA THR 88 HA THR 88 16.117 -1.806 1.018 545 HB THR 88 HB THR 88 17.659 -0.169 -0.055 546 HG1 THR 88 HG1 THR 88 16.341 0.997 2.159 547 1HG2 THR 88 1HG2 THR 88 15.312 1.726 0.236 548 2HG2 THR 88 2HG2 THR 88 15.950 1.116 -1.290 549 3HG2 THR 88 3HG2 THR 88 16.936 2.173 -0.282 550 H ALA 89 H ALA 89 13.593 -0.204 -0.708 551 HA ALA 89 HA ALA 89 12.206 0.438 1.860 552 1HB ALA 89 1HB ALA 89 12.596 1.799 -0.700 553 2HB ALA 89 2HB ALA 89 12.120 2.471 0.859 554 3HB ALA 89 3HB ALA 89 10.905 1.758 -0.202 555 H ALA 90 H ALA 90 9.867 0.002 1.882 556 HA ALA 90 HA ALA 90 9.178 -2.409 0.279 557 1HB ALA 90 1HB ALA 90 8.653 -1.327 2.932 558 2HB ALA 90 2HB ALA 90 8.493 -2.986 2.357 559 3HB ALA 90 3HB ALA 90 7.166 -1.846 2.140 560 H CYS 91 H CYS 91 7.352 -2.444 -1.084 561 HA CYS 91 HA CYS 91 5.953 0.185 -1.486 562 1HB CYS 91 2HB CYS 91 6.441 -1.852 -3.658 563 2HB CYS 91 1HB CYS 91 6.140 -0.123 -3.824 564 H ASN 92 H ASN 92 3.749 0.033 -1.298 565 HA ASN 92 HA ASN 92 2.544 -2.712 -1.345 566 1HB ASN 92 2HB ASN 92 1.523 -0.153 -0.069 567 2HB ASN 92 1HB ASN 92 0.912 -1.784 0.199 568 1HD2 ASN 92 1HD2 ASN 92 1.542 -2.355 2.295 569 2HD2 ASN 92 2HD2 ASN 92 3.106 -2.161 2.923 570 H LEU 93 H LEU 93 1.148 -3.125 -3.015 571 HA LEU 93 HA LEU 93 0.340 -0.894 -4.803 572 1HB LEU 93 2HB LEU 93 1.239 -2.785 -5.923 573 2HB LEU 93 1HB LEU 93 0.356 -3.914 -4.897 574 HG LEU 93 HG LEU 93 -1.784 -2.999 -5.891 575 1HD1 LEU 93 1HD1 LEU 93 0.082 -1.145 -7.011 576 2HD1 LEU 93 2HD1 LEU 93 -1.672 -1.169 -7.193 577 3HD1 LEU 93 3HD1 LEU 93 -0.654 -2.046 -8.336 578 1HD2 LEU 93 1HD2 LEU 93 -1.229 -4.074 -8.227 579 2HD2 LEU 93 2HD2 LEU 93 -1.179 -5.076 -6.778 580 3HD2 LEU 93 3HD2 LEU 93 0.319 -4.456 -7.472 581 H GLY 94 H GLY 94 -1.514 0.136 -4.065 582 1HA GLY 94 2HA GLY 94 -3.790 -1.653 -3.295 583 2HA GLY 94 1HA GLY 94 -3.445 -0.184 -2.383 584 H ALA 95 H ALA 95 -5.922 -0.388 -3.423 585 HA ALA 95 HA ALA 95 -5.867 1.652 -5.609 586 1HB ALA 95 1HB ALA 95 -6.170 -0.614 -6.568 587 2HB ALA 95 2HB ALA 95 -7.627 0.358 -6.769 588 3HB ALA 95 3HB ALA 95 -7.555 -0.871 -5.506 589 H GLY 96 H GLY 96 -7.098 3.370 -4.920 590 1HA GLY 96 2HA GLY 96 -9.696 2.930 -3.661 591 2HA GLY 96 1HA GLY 96 -8.500 3.621 -2.564 592 H ASN 97 H ASN 97 -10.752 5.101 -3.188 593 HA ASN 97 HA ASN 97 -9.915 7.047 -5.268 594 1HB ASN 97 2HB ASN 97 -12.211 7.699 -5.265 595 2HB ASN 97 1HB ASN 97 -12.231 5.945 -5.090 596 1HD2 ASN 97 1HD2 ASN 97 -13.240 8.899 -3.625 597 2HD2 ASN 97 2HD2 ASN 97 -13.780 8.244 -2.155 598 H SER 98 H SER 98 -10.871 6.911 -1.839 599 HA SER 98 HA SER 98 -9.019 8.942 -1.024 600 1HB SER 98 2HB SER 98 -10.474 10.346 -2.403 601 2HB SER 98 1HB SER 98 -11.889 9.783 -1.520 602 HG SER 98 HG SER 98 -9.927 11.608 -0.811 603 H GLY 99 H GLY 99 -12.286 7.656 -0.376 604 1HA GLY 99 2HA GLY 99 -11.416 7.192 2.442 605 2HA GLY 99 1HA GLY 99 -12.975 7.950 2.118 606 H LEU 100 H LEU 100 -11.737 5.437 0.018 607 HA LEU 100 HA LEU 100 -13.915 3.639 1.017 608 1HB LEU 100 2HB LEU 100 -13.810 4.665 -1.375 609 2HB LEU 100 1HB LEU 100 -12.541 3.474 -1.657 610 HG LEU 100 HG LEU 100 -15.020 2.467 -0.370 611 1HD1 LEU 100 1HD1 LEU 100 -16.028 3.912 -2.026 612 2HD1 LEU 100 2HD1 LEU 100 -16.106 2.258 -2.636 613 3HD1 LEU 100 3HD1 LEU 100 -14.889 3.371 -3.260 614 1HD2 LEU 100 1HD2 LEU 100 -13.531 0.753 -0.838 615 2HD2 LEU 100 2HD2 LEU 100 -12.902 1.551 -2.279 616 3HD2 LEU 100 3HD2 LEU 100 -14.472 0.749 -2.330 617 H ASP 101 H ASP 101 -10.587 3.644 -0.252 618 HA ASP 101 HA ASP 101 -8.838 2.078 0.033 619 1HB ASP 101 2HB ASP 101 -10.113 2.723 2.487 620 2HB ASP 101 1HB ASP 101 -9.757 0.995 2.539 621 H LEU 102 H LEU 102 -9.342 0.522 -1.586 622 HA LEU 102 HA LEU 102 -11.346 -1.564 -1.085 623 1HB LEU 102 2HB LEU 102 -9.361 -0.900 -3.261 624 2HB LEU 102 1HB LEU 102 -10.347 -2.361 -3.321 625 HG LEU 102 HG LEU 102 -11.414 0.468 -3.087 626 1HD1 LEU 102 1HD1 LEU 102 -11.104 -1.466 -5.375 627 2HD1 LEU 102 2HD1 LEU 102 -10.708 0.251 -5.318 628 3HD1 LEU 102 3HD1 LEU 102 -12.393 -0.264 -5.390 629 1HD2 LEU 102 1HD2 LEU 102 -12.974 -0.935 -1.997 630 2HD2 LEU 102 2HD2 LEU 102 -12.696 -2.265 -3.122 631 3HD2 LEU 102 3HD2 LEU 102 -13.587 -0.836 -3.648 632 H GLY 103 H GLY 103 -7.802 -1.340 -1.259 633 1HA GLY 103 2HA GLY 103 -7.142 -3.149 0.710 634 2HA GLY 103 1HA GLY 103 -7.443 -4.175 -0.691 635 H HIS 104 H HIS 104 -4.906 -4.001 0.500 636 HA HIS 104 HA HIS 104 -3.332 -2.887 -1.770 637 1HB HIS 104 2HB HIS 104 -1.795 -1.857 -0.049 638 2HB HIS 104 1HB HIS 104 -3.399 -1.124 -0.099 639 HD1 HIS 104 HD1 HIS 104 -1.040 -2.375 2.260 640 HD2 HIS 104 HD2 HIS 104 -5.190 -2.596 1.935 641 HE1 HIS 104 HE1 HIS 104 -1.910 -2.961 4.567 642 H VAL 105 H VAL 105 -2.018 -4.545 -2.426 643 HA VAL 105 HA VAL 105 -1.380 -6.749 -0.544 644 HB VAL 105 HB VAL 105 -1.089 -6.344 -3.535 645 1HG1 VAL 105 1HG1 VAL 105 -0.892 -8.983 -3.277 646 2HG1 VAL 105 2HG1 VAL 105 -0.245 -8.547 -1.699 647 3HG1 VAL 105 3HG1 VAL 105 0.532 -7.951 -3.166 648 1HG2 VAL 105 1HG2 VAL 105 -3.251 -6.965 -3.600 649 2HG2 VAL 105 2HG2 VAL 105 -3.283 -7.071 -1.840 650 3HG2 VAL 105 3HG2 VAL 105 -2.830 -8.480 -2.798 651 H ALA 106 H ALA 106 0.514 -6.456 0.597 652 HA ALA 106 HA ALA 106 2.609 -4.641 -0.104 653 1HB ALA 106 1HB ALA 106 3.860 -6.086 1.611 654 2HB ALA 106 2HB ALA 106 2.404 -7.078 1.678 655 3HB ALA 106 3HB ALA 106 2.339 -5.382 2.156 656 H LEU 107 H LEU 107 3.951 -4.854 -1.857 657 HA LEU 107 HA LEU 107 4.426 -7.537 -3.035 658 1HB LEU 107 2HB LEU 107 5.182 -4.720 -3.872 659 2HB LEU 107 1HB LEU 107 5.401 -6.164 -4.861 660 HG LEU 107 HG LEU 107 2.722 -5.259 -3.775 661 1HD1 LEU 107 1HD1 LEU 107 3.222 -3.583 -5.323 662 2HD1 LEU 107 2HD1 LEU 107 2.418 -4.781 -6.335 663 3HD1 LEU 107 3HD1 LEU 107 4.177 -4.665 -6.336 664 1HD2 LEU 107 1HD2 LEU 107 3.637 -7.696 -4.894 665 2HD2 LEU 107 2HD2 LEU 107 2.689 -6.902 -6.151 666 3HD2 LEU 107 3HD2 LEU 107 1.967 -7.230 -4.574 667 H THR 108 H THR 108 6.486 -8.487 -3.131 668 HA THR 108 HA THR 108 8.682 -7.071 -1.653 669 HB THR 108 HB THR 108 8.304 -10.056 -1.663 670 HG1 THR 108 HG1 THR 108 6.859 -8.107 -0.245 671 1HG2 THR 108 1HG2 THR 108 9.100 -8.984 0.837 672 2HG2 THR 108 2HG2 THR 108 10.027 -8.135 -0.399 673 3HG2 THR 108 3HG2 THR 108 10.085 -9.895 -0.308 674 H PHE 109 H PHE 109 10.874 -7.839 -2.307 675 HA PHE 109 HA PHE 109 10.957 -9.084 -5.031 676 1HB PHE 109 2HB PHE 109 11.865 -6.420 -4.053 677 2HB PHE 109 1HB PHE 109 12.933 -7.251 -5.185 678 HD1 PHE 109 HD1 PHE 109 12.496 -7.170 -7.488 679 HD2 PHE 109 HD2 PHE 109 9.347 -6.285 -4.704 680 HE1 PHE 109 HE1 PHE 109 11.020 -6.512 -9.368 681 HE2 PHE 109 HE2 PHE 109 7.871 -5.626 -6.586 682 HZ PHE 109 HZ PHE 109 8.706 -5.743 -8.918 683 H GLY 110 H GLY 110 12.396 -10.772 -5.029 684 1HA GLY 110 2HA GLY 110 13.985 -11.435 -2.738 685 2HA GLY 110 1HA GLY 110 14.135 -12.187 -4.326 Start of MODEL 27 1 1H ALA 1 1H ALA 1 -19.114 -3.810 2.454 2 2H ALA 1 2H ALA 1 -19.103 -4.213 0.804 3 3H ALA 1 3H ALA 1 -18.653 -2.653 1.300 4 HA ALA 1 HA ALA 1 -16.569 -3.276 1.904 5 1HB ALA 1 1HB ALA 1 -17.583 -6.066 2.462 6 2HB ALA 1 2HB ALA 1 -17.832 -4.754 3.614 7 3HB ALA 1 3HB ALA 1 -16.196 -5.245 3.178 8 HA PRO 2 HA PRO 2 -16.267 -4.975 -2.272 9 1HB PRO 2 2HB PRO 2 -13.980 -3.622 -2.912 10 2HB PRO 2 1HB PRO 2 -15.598 -2.891 -3.011 11 1HG PRO 2 2HG PRO 2 -13.514 -2.602 -0.898 12 2HG PRO 2 1HG PRO 2 -14.625 -1.394 -1.560 13 1HD PRO 2 2HD PRO 2 -15.009 -2.645 0.843 14 2HD PRO 2 1HD PRO 2 -16.331 -2.001 -0.156 15 H ALA 3 H ALA 3 -13.734 -5.527 -3.307 16 HA ALA 3 HA ALA 3 -12.243 -7.047 -1.230 17 1HB ALA 3 1HB ALA 3 -12.659 -9.136 -2.244 18 2HB ALA 3 2HB ALA 3 -13.183 -8.395 -3.757 19 3HB ALA 3 3HB ALA 3 -14.226 -8.331 -2.335 20 H PHE 4 H PHE 4 -10.078 -7.482 -1.864 21 HA PHE 4 HA PHE 4 -9.209 -6.707 -4.604 22 1HB PHE 4 2HB PHE 4 -9.181 -4.660 -3.245 23 2HB PHE 4 1HB PHE 4 -8.233 -5.479 -2.006 24 HD1 PHE 4 HD1 PHE 4 -6.141 -4.419 -2.024 25 HD2 PHE 4 HD2 PHE 4 -7.924 -5.631 -5.732 26 HE1 PHE 4 HE1 PHE 4 -4.054 -3.820 -3.215 27 HE2 PHE 4 HE2 PHE 4 -5.834 -5.036 -6.931 28 HZ PHE 4 HZ PHE 4 -3.897 -4.129 -5.671 29 H SER 5 H SER 5 -8.021 -8.509 -5.203 30 HA SER 5 HA SER 5 -5.967 -9.506 -3.269 31 1HB SER 5 2HB SER 5 -7.936 -10.885 -2.955 32 2HB SER 5 1HB SER 5 -8.110 -11.111 -4.694 33 HG SER 5 HG SER 5 -6.257 -12.320 -4.705 34 H VAL 6 H VAL 6 -4.205 -10.597 -4.296 35 HA VAL 6 HA VAL 6 -4.120 -10.414 -7.289 36 HB VAL 6 HB VAL 6 -2.959 -8.561 -5.908 37 1HG1 VAL 6 1HG1 VAL 6 -0.695 -10.467 -5.548 38 2HG1 VAL 6 2HG1 VAL 6 -2.026 -10.581 -4.396 39 3HG1 VAL 6 3HG1 VAL 6 -1.147 -9.063 -4.581 40 1HG2 VAL 6 1HG2 VAL 6 -1.535 -8.282 -7.670 41 2HG2 VAL 6 2HG2 VAL 6 -2.357 -9.697 -8.322 42 3HG2 VAL 6 3HG2 VAL 6 -0.824 -9.883 -7.473 43 H SER 7 H SER 7 -2.248 -11.848 -8.146 44 HA SER 7 HA SER 7 -2.308 -14.408 -6.646 45 1HB SER 7 2HB SER 7 -2.027 -13.497 -9.413 46 2HB SER 7 1HB SER 7 -0.910 -14.795 -9.004 47 HG SER 7 HG SER 7 -2.544 -16.125 -8.783 48 HA PRO 8 HA PRO 8 2.349 -13.844 -6.805 49 1HB PRO 8 2HB PRO 8 3.528 -11.961 -8.381 50 2HB PRO 8 1HB PRO 8 3.042 -13.554 -8.992 51 1HG PRO 8 2HG PRO 8 1.791 -10.916 -9.415 52 2HG PRO 8 1HG PRO 8 1.760 -12.361 -10.434 53 1HD PRO 8 2HD PRO 8 -0.301 -11.461 -8.715 54 2HD PRO 8 1HD PRO 8 -0.210 -13.015 -9.561 55 H ALA 9 H ALA 9 2.218 -12.948 -4.676 56 HA ALA 9 HA ALA 9 2.049 -9.990 -4.404 57 1HB ALA 9 1HB ALA 9 1.523 -12.406 -2.790 58 2HB ALA 9 2HB ALA 9 0.713 -10.840 -2.761 59 3HB ALA 9 3HB ALA 9 2.225 -11.067 -1.882 60 H SER 10 H SER 10 4.460 -12.233 -4.861 61 HA SER 10 HA SER 10 6.500 -10.406 -3.723 62 1HB SER 10 2HB SER 10 7.489 -12.175 -2.386 63 2HB SER 10 1HB SER 10 5.782 -12.059 -1.961 64 HG SER 10 HG SER 10 5.379 -13.824 -3.289 65 H GLY 11 H GLY 11 8.721 -11.095 -4.471 66 1HA GLY 11 2HA GLY 11 10.181 -11.772 -6.173 67 2HA GLY 11 1HA GLY 11 9.092 -13.135 -6.435 68 H LEU 12 H LEU 12 9.105 -9.603 -6.967 69 HA LEU 12 HA LEU 12 7.775 -10.113 -9.608 70 1HB LEU 12 2HB LEU 12 7.717 -7.676 -7.800 71 2HB LEU 12 1HB LEU 12 6.751 -7.914 -9.258 72 HG LEU 12 HG LEU 12 6.586 -10.038 -7.173 73 1HD1 LEU 12 1HD1 LEU 12 4.785 -7.694 -6.807 74 2HD1 LEU 12 2HD1 LEU 12 6.434 -7.531 -6.207 75 3HD1 LEU 12 3HD1 LEU 12 5.405 -8.835 -5.613 76 1HD2 LEU 12 1HD2 LEU 12 4.461 -10.367 -8.081 77 2HD2 LEU 12 2HD2 LEU 12 5.345 -9.768 -9.484 78 3HD2 LEU 12 3HD2 LEU 12 4.300 -8.681 -8.572 79 H SER 13 H SER 13 8.757 -9.225 -11.429 80 HA SER 13 HA SER 13 11.407 -7.934 -11.037 81 1HB SER 13 2HB SER 13 11.053 -10.024 -12.424 82 2HB SER 13 1HB SER 13 10.093 -9.051 -13.533 83 HG SER 13 HG SER 13 12.588 -8.048 -12.836 84 H ASP 14 H ASP 14 11.924 -6.041 -12.385 85 HA ASP 14 HA ASP 14 9.849 -4.041 -12.451 86 1HB ASP 14 2HB ASP 14 11.663 -2.735 -13.580 87 2HB ASP 14 1HB ASP 14 12.226 -3.554 -12.122 88 H GLY 15 H GLY 15 8.190 -4.174 -13.942 89 1HA GLY 15 2HA GLY 15 7.563 -3.721 -16.276 90 2HA GLY 15 1HA GLY 15 8.936 -4.702 -16.765 91 H GLN 16 H GLN 16 8.258 -6.702 -14.615 92 HA GLN 16 HA GLN 16 6.773 -8.552 -16.188 93 1HB GLN 16 2HB GLN 16 8.314 -8.911 -14.171 94 2HB GLN 16 1HB GLN 16 6.921 -8.505 -13.167 95 1HG GLN 16 2HG GLN 16 5.657 -10.353 -13.999 96 2HG GLN 16 1HG GLN 16 6.811 -10.642 -15.301 97 1HE2 GLN 16 1HE2 GLN 16 5.875 -12.251 -12.756 98 2HE2 GLN 16 2HE2 GLN 16 7.344 -12.793 -12.102 99 H SER 17 H SER 17 4.590 -9.349 -15.906 100 HA SER 17 HA SER 17 2.668 -7.239 -15.041 101 1HB SER 17 2HB SER 17 2.403 -8.074 -17.286 102 2HB SER 17 1HB SER 17 2.518 -9.746 -16.743 103 HG SER 17 HG SER 17 0.341 -8.955 -17.133 104 H VAL 18 H VAL 18 0.510 -8.413 -14.229 105 HA VAL 18 HA VAL 18 1.030 -10.707 -12.442 106 HB VAL 18 HB VAL 18 0.221 -9.280 -10.481 107 1HG1 VAL 18 1HG1 VAL 18 2.631 -9.892 -10.956 108 2HG1 VAL 18 2HG1 VAL 18 2.423 -8.397 -10.043 109 3HG1 VAL 18 3HG1 VAL 18 2.798 -8.334 -11.766 110 1HG2 VAL 18 1HG2 VAL 18 -0.308 -7.450 -12.496 111 2HG2 VAL 18 2HG2 VAL 18 1.178 -6.828 -11.777 112 3HG2 VAL 18 3HG2 VAL 18 -0.249 -7.082 -10.771 113 H SER 19 H SER 19 -1.132 -11.082 -11.106 114 HA SER 19 HA SER 19 -3.441 -10.542 -12.949 115 1HB SER 19 2HB SER 19 -2.657 -12.900 -11.233 116 2HB SER 19 1HB SER 19 -4.266 -12.743 -11.932 117 HG SER 19 HG SER 19 -2.225 -13.781 -13.089 118 H VAL 20 H VAL 20 -5.001 -9.263 -12.014 119 HA VAL 20 HA VAL 20 -5.183 -9.250 -9.025 120 HB VAL 20 HB VAL 20 -5.452 -7.099 -11.127 121 1HG1 VAL 20 1HG1 VAL 20 -6.141 -6.874 -8.179 122 2HG1 VAL 20 2HG1 VAL 20 -7.334 -6.959 -9.476 123 3HG1 VAL 20 3HG1 VAL 20 -6.231 -5.586 -9.382 124 1HG2 VAL 20 1HG2 VAL 20 -3.951 -6.441 -8.759 125 2HG2 VAL 20 2HG2 VAL 20 -3.383 -6.557 -10.423 126 3HG2 VAL 20 3HG2 VAL 20 -3.389 -7.987 -9.393 127 H SER 21 H SER 21 -7.300 -9.130 -8.150 128 HA SER 21 HA SER 21 -9.568 -9.435 -10.071 129 1HB SER 21 2HB SER 21 -8.773 -11.277 -7.804 130 2HB SER 21 1HB SER 21 -10.333 -11.360 -8.616 131 HG SER 21 HG SER 21 -7.831 -11.486 -9.955 132 H VAL 22 H VAL 22 -11.129 -8.008 -9.472 133 HA VAL 22 HA VAL 22 -11.274 -7.172 -6.596 134 HB VAL 22 HB VAL 22 -11.995 -5.800 -9.206 135 1HG1 VAL 22 1HG1 VAL 22 -11.922 -4.190 -6.748 136 2HG1 VAL 22 2HG1 VAL 22 -13.217 -5.387 -6.760 137 3HG1 VAL 22 3HG1 VAL 22 -13.106 -4.192 -8.054 138 1HG2 VAL 22 1HG2 VAL 22 -9.540 -6.070 -8.430 139 2HG2 VAL 22 2HG2 VAL 22 -9.962 -4.939 -7.144 140 3HG2 VAL 22 3HG2 VAL 22 -10.091 -4.443 -8.831 141 H SER 23 H SER 23 -13.208 -7.618 -5.545 142 HA SER 23 HA SER 23 -15.645 -8.121 -7.180 143 1HB SER 23 2HB SER 23 -14.375 -10.015 -5.195 144 2HB SER 23 1HB SER 23 -15.988 -10.237 -5.866 145 HG SER 23 HG SER 23 -14.882 -11.253 -7.359 146 H GLY 24 H GLY 24 -17.356 -7.103 -6.237 147 1HA GLY 24 2HA GLY 24 -18.532 -7.102 -3.883 148 2HA GLY 24 1HA GLY 24 -17.084 -6.208 -3.415 149 H ALA 25 H ALA 25 -16.612 -4.411 -5.298 150 HA ALA 25 HA ALA 25 -18.526 -2.366 -4.976 151 1HB ALA 25 1HB ALA 25 -16.447 -2.939 -7.099 152 2HB ALA 25 2HB ALA 25 -16.269 -1.918 -5.676 153 3HB ALA 25 3HB ALA 25 -17.309 -1.404 -7.001 154 H ALA 26 H ALA 26 -19.287 -1.369 -7.439 155 HA ALA 26 HA ALA 26 -20.574 -3.473 -9.050 156 1HB ALA 26 1HB ALA 26 -22.809 -2.955 -8.410 157 2HB ALA 26 2HB ALA 26 -22.310 -1.487 -7.568 158 3HB ALA 26 3HB ALA 26 -21.917 -3.073 -6.894 159 H ALA 27 H ALA 27 -21.586 -2.603 -10.959 160 HA ALA 27 HA ALA 27 -20.314 -0.690 -12.446 161 1HB ALA 27 1HB ALA 27 -22.791 -2.094 -12.454 162 2HB ALA 27 2HB ALA 27 -21.951 -1.379 -13.829 163 3HB ALA 27 3HB ALA 27 -23.125 -0.425 -12.918 164 H GLY 28 H GLY 28 -19.903 1.436 -12.101 165 1HA GLY 28 2HA GLY 28 -21.139 3.666 -11.959 166 2HA GLY 28 1HA GLY 28 -21.863 2.999 -10.499 167 H GLU 29 H GLU 29 -18.659 1.950 -10.858 168 HA GLU 29 HA GLU 29 -17.565 4.273 -9.368 169 1HB GLU 29 2HB GLU 29 -18.389 1.683 -8.318 170 2HB GLU 29 1HB GLU 29 -16.694 2.015 -7.984 171 1HG GLU 29 2HG GLU 29 -19.002 3.872 -7.356 172 2HG GLU 29 1HG GLU 29 -18.123 2.895 -6.179 173 H THR 30 H THR 30 -15.681 4.751 -10.401 174 HA THR 30 HA THR 30 -14.128 2.557 -11.729 175 HB THR 30 HB THR 30 -14.050 5.589 -12.014 176 HG1 THR 30 HG1 THR 30 -15.791 5.210 -13.110 177 1HG2 THR 30 1HG2 THR 30 -11.968 4.160 -12.603 178 2HG2 THR 30 2HG2 THR 30 -12.567 5.287 -13.819 179 3HG2 THR 30 3HG2 THR 30 -12.936 3.570 -13.954 180 H TYR 31 H TYR 31 -12.487 1.838 -10.383 181 HA TYR 31 HA TYR 31 -11.295 3.693 -8.395 182 1HB TYR 31 2HB TYR 31 -10.812 0.748 -8.873 183 2HB TYR 31 1HB TYR 31 -10.475 1.661 -7.402 184 HD1 TYR 31 HD1 TYR 31 -12.737 -0.554 -8.862 185 HD2 TYR 31 HD2 TYR 31 -12.608 3.068 -6.564 186 HE1 TYR 31 HE1 TYR 31 -15.036 -0.998 -8.026 187 HE2 TYR 31 HE2 TYR 31 -14.899 2.631 -5.727 188 HH TYR 31 HH TYR 31 -16.339 0.399 -5.407 189 H TYR 32 H TYR 32 -8.846 3.065 -8.044 190 HA TYR 32 HA TYR 32 -7.405 3.016 -10.667 191 1HB TYR 32 2HB TYR 32 -6.986 4.870 -8.292 192 2HB TYR 32 1HB TYR 32 -5.986 4.844 -9.742 193 HD1 TYR 32 HD1 TYR 32 -8.243 4.347 -11.750 194 HD2 TYR 32 HD2 TYR 32 -7.860 7.091 -8.472 195 HE1 TYR 32 HE1 TYR 32 -9.820 5.902 -12.870 196 HE2 TYR 32 HE2 TYR 32 -9.436 8.645 -9.586 197 HH TYR 32 HH TYR 32 -10.110 8.749 -12.567 198 H ILE 33 H ILE 33 -5.877 1.374 -10.559 199 HA ILE 33 HA ILE 33 -5.073 0.415 -7.840 200 HB ILE 33 HB ILE 33 -6.181 -1.160 -9.367 201 1HG1 ILE 33 2HG1 ILE 33 -3.364 -2.110 -9.486 202 2HG1 ILE 33 1HG1 ILE 33 -3.974 -1.657 -7.892 203 1HG2 ILE 33 1HG2 ILE 33 -4.084 -1.545 -11.276 204 2HG2 ILE 33 2HG2 ILE 33 -4.539 0.157 -11.276 205 3HG2 ILE 33 3HG2 ILE 33 -5.760 -1.079 -11.570 206 1HD1 ILE 33 1HD1 ILE 33 -4.327 -4.115 -8.772 207 2HD1 ILE 33 2HD1 ILE 33 -5.661 -3.390 -9.669 208 3HD1 ILE 33 3HD1 ILE 33 -5.629 -3.297 -7.908 209 H ALA 34 H ALA 34 -3.093 1.075 -7.159 210 HA ALA 34 HA ALA 34 -0.803 1.058 -9.040 211 1HB ALA 34 1HB ALA 34 -0.568 3.322 -9.145 212 2HB ALA 34 2HB ALA 34 -0.994 3.530 -7.446 213 3HB ALA 34 3HB ALA 34 -2.262 3.359 -8.659 214 H GLN 35 H GLN 35 1.265 1.628 -7.731 215 HA GLN 35 HA GLN 35 0.976 0.689 -4.894 216 1HB GLN 35 2HB GLN 35 3.260 -0.411 -5.415 217 2HB GLN 35 1HB GLN 35 1.831 -1.148 -6.143 218 1HG GLN 35 2HG GLN 35 2.247 0.141 -8.225 219 2HG GLN 35 1HG GLN 35 3.702 0.819 -7.498 220 1HE2 GLN 35 1HE2 GLN 35 4.850 -1.406 -6.258 221 2HE2 GLN 35 2HE2 GLN 35 5.222 -2.587 -7.418 222 H CYS 36 H CYS 36 2.660 1.521 -3.446 223 HA CYS 36 HA CYS 36 4.291 3.766 -4.545 224 1HB CYS 36 2HB CYS 36 2.641 3.985 -2.020 225 2HB CYS 36 1HB CYS 36 3.416 5.285 -2.917 226 H ALA 37 H ALA 37 5.898 4.536 -2.821 227 HA ALA 37 HA ALA 37 6.575 2.499 -0.767 228 1HB ALA 37 1HB ALA 37 8.709 3.377 -2.681 229 2HB ALA 37 2HB ALA 37 7.568 2.138 -3.207 230 3HB ALA 37 3HB ALA 37 8.573 1.865 -1.783 231 HA PRO 38 HA PRO 38 8.061 6.086 1.279 232 1HB PRO 38 2HB PRO 38 9.969 5.032 2.921 233 2HB PRO 38 1HB PRO 38 8.230 4.786 3.172 234 1HG PRO 38 2HG PRO 38 10.258 2.924 2.081 235 2HG PRO 38 1HG PRO 38 8.792 2.584 3.010 236 1HD PRO 38 2HD PRO 38 9.069 2.286 0.248 237 2HD PRO 38 1HD PRO 38 7.530 2.361 1.135 238 H VAL 39 H VAL 39 10.153 7.348 1.751 239 HA VAL 39 HA VAL 39 12.306 6.752 -0.258 240 HB VAL 39 HB VAL 39 12.287 9.367 -0.471 241 1HG1 VAL 39 1HG1 VAL 39 11.554 7.561 -2.159 242 2HG1 VAL 39 2HG1 VAL 39 10.901 9.183 -2.384 243 3HG1 VAL 39 3HG1 VAL 39 9.908 7.925 -1.644 244 1HG2 VAL 39 1HG2 VAL 39 9.362 9.182 0.003 245 2HG2 VAL 39 2HG2 VAL 39 10.470 10.517 0.312 246 3HG2 VAL 39 3HG2 VAL 39 10.365 9.177 1.452 247 H GLY 40 H GLY 40 14.006 8.759 0.257 248 1HA GLY 40 2HA GLY 40 14.912 8.155 3.001 249 2HA GLY 40 1HA GLY 40 15.863 8.965 1.756 250 H GLY 41 H GLY 41 12.576 9.882 2.648 251 1HA GLY 41 2HA GLY 41 13.424 12.048 4.394 252 2HA GLY 41 1HA GLY 41 12.991 12.622 2.786 253 H GLN 42 H GLN 42 10.880 10.775 2.264 254 HA GLN 42 HA GLN 42 8.937 11.019 4.465 255 1HB GLN 42 2HB GLN 42 7.428 12.396 2.933 256 2HB GLN 42 1HB GLN 42 8.847 13.237 3.555 257 1HG GLN 42 2HG GLN 42 9.343 11.791 1.048 258 2HG GLN 42 1HG GLN 42 8.154 13.083 0.896 259 1HE2 GLN 42 1HE2 GLN 42 10.991 13.017 -0.118 260 2HE2 GLN 42 2HE2 GLN 42 11.746 14.368 0.577 261 H ASP 43 H ASP 43 7.230 11.085 1.584 262 HA ASP 43 HA ASP 43 7.378 8.111 1.233 263 1HB ASP 43 2HB ASP 43 5.490 8.980 2.699 264 2HB ASP 43 1HB ASP 43 4.861 9.791 1.265 265 H ALA 44 H ALA 44 6.328 7.437 -0.879 266 HA ALA 44 HA ALA 44 6.017 9.504 -2.958 267 1HB ALA 44 1HB ALA 44 7.917 8.656 -4.274 268 2HB ALA 44 2HB ALA 44 8.272 7.474 -3.014 269 3HB ALA 44 3HB ALA 44 8.471 9.196 -2.689 270 H CYS 45 H CYS 45 5.712 8.284 -5.167 271 HA CYS 45 HA CYS 45 4.774 5.505 -4.940 272 1HB CYS 45 2HB CYS 45 2.952 6.960 -4.002 273 2HB CYS 45 1HB CYS 45 2.845 7.756 -5.573 274 H ASN 46 H ASN 46 3.964 4.721 -7.119 275 HA ASN 46 HA ASN 46 5.527 6.019 -9.293 276 1HB ASN 46 2HB ASN 46 5.775 3.604 -8.715 277 2HB ASN 46 1HB ASN 46 4.081 3.359 -9.138 278 1HD2 ASN 46 1HD2 ASN 46 6.285 2.069 -10.533 279 2HD2 ASN 46 2HD2 ASN 46 6.280 2.644 -12.130 280 HA PRO 47 HA PRO 47 1.593 7.502 -10.812 281 1HB PRO 47 2HB PRO 47 2.625 9.159 -12.714 282 2HB PRO 47 1HB PRO 47 2.577 9.579 -10.991 283 1HG PRO 47 2HG PRO 47 4.861 8.714 -12.657 284 2HG PRO 47 1HG PRO 47 4.832 9.754 -11.226 285 1HD PRO 47 2HD PRO 47 5.589 7.051 -11.293 286 2HD PRO 47 1HD PRO 47 5.234 8.007 -9.839 287 H ALA 48 H ALA 48 4.229 6.272 -12.839 288 HA ALA 48 HA ALA 48 2.743 5.930 -15.264 289 1HB ALA 48 1HB ALA 48 5.073 5.808 -15.443 290 2HB ALA 48 2HB ALA 48 4.620 4.106 -15.536 291 3HB ALA 48 3HB ALA 48 5.220 4.778 -14.020 292 H THR 49 H THR 49 3.306 3.741 -12.515 293 HA THR 49 HA THR 49 1.792 1.546 -13.704 294 HB THR 49 HB THR 49 2.159 0.583 -11.418 295 HG1 THR 49 HG1 THR 49 2.378 2.001 -9.903 296 1HG2 THR 49 1HG2 THR 49 4.638 0.612 -11.542 297 2HG2 THR 49 2HG2 THR 49 4.546 1.939 -12.699 298 3HG2 THR 49 3HG2 THR 49 3.898 0.354 -13.122 299 H ALA 50 H ALA 50 0.732 4.458 -12.645 300 HA ALA 50 HA ALA 50 -1.507 3.588 -10.955 301 1HB ALA 50 1HB ALA 50 -1.598 5.816 -10.481 302 2HB ALA 50 2HB ALA 50 -1.531 6.269 -12.185 303 3HB ALA 50 3HB ALA 50 -0.045 5.888 -11.313 304 H THR 51 H THR 51 -2.653 2.127 -12.431 305 HA THR 51 HA THR 51 -3.787 3.357 -14.888 306 HB THR 51 HB THR 51 -2.654 1.122 -14.921 307 HG1 THR 51 HG1 THR 51 -4.021 0.535 -16.402 308 1HG2 THR 51 1HG2 THR 51 -3.904 -0.782 -13.908 309 2HG2 THR 51 2HG2 THR 51 -4.982 0.385 -13.139 310 3HG2 THR 51 3HG2 THR 51 -3.272 0.345 -12.707 311 H SER 52 H SER 52 -6.217 2.616 -15.253 312 HA SER 52 HA SER 52 -7.705 2.822 -12.657 313 1HB SER 52 2HB SER 52 -7.839 4.991 -13.510 314 2HB SER 52 1HB SER 52 -7.825 4.440 -15.183 315 HG SER 52 HG SER 52 -9.930 3.878 -15.018 316 H PHE 53 H PHE 53 -9.707 1.724 -12.601 317 HA PHE 53 HA PHE 53 -10.657 0.308 -15.023 318 1HB PHE 53 2HB PHE 53 -10.378 -1.858 -14.031 319 2HB PHE 53 1HB PHE 53 -8.849 -1.019 -13.773 320 HD1 PHE 53 HD1 PHE 53 -12.004 -2.112 -12.176 321 HD2 PHE 53 HD2 PHE 53 -8.133 -0.354 -11.567 322 HE1 PHE 53 HE1 PHE 53 -12.255 -2.408 -9.728 323 HE2 PHE 53 HE2 PHE 53 -8.383 -0.652 -9.118 324 HZ PHE 53 HZ PHE 53 -10.443 -1.678 -8.199 325 H THR 54 H THR 54 -12.887 -0.354 -14.753 326 HA THR 54 HA THR 54 -14.232 0.746 -12.333 327 HB THR 54 HB THR 54 -14.977 0.687 -15.257 328 HG1 THR 54 HG1 THR 54 -14.348 2.656 -15.097 329 1HG2 THR 54 1HG2 THR 54 -16.706 0.806 -12.855 330 2HG2 THR 54 2HG2 THR 54 -17.088 0.283 -14.494 331 3HG2 THR 54 3HG2 THR 54 -17.040 2.002 -14.105 332 H THR 55 H THR 55 -16.114 -0.432 -11.598 333 HA THR 55 HA THR 55 -15.841 -3.306 -11.728 334 HB THR 55 HB THR 55 -18.179 -3.051 -10.601 335 HG1 THR 55 HG1 THR 55 -18.289 -0.774 -9.844 336 1HG2 THR 55 1HG2 THR 55 -15.484 -2.437 -9.734 337 2HG2 THR 55 2HG2 THR 55 -16.768 -3.284 -8.875 338 3HG2 THR 55 3HG2 THR 55 -16.674 -1.526 -8.803 339 H ASP 56 H ASP 56 -18.588 -4.114 -12.029 340 HA ASP 56 HA ASP 56 -19.272 -3.397 -14.853 341 1HB ASP 56 2HB ASP 56 -18.275 -5.983 -13.761 342 2HB ASP 56 1HB ASP 56 -19.577 -6.072 -14.947 343 H ALA 57 H ALA 57 -21.273 -5.327 -15.208 344 HA ALA 57 HA ALA 57 -23.444 -4.218 -13.721 345 1HB ALA 57 1HB ALA 57 -23.647 -6.954 -14.879 346 2HB ALA 57 2HB ALA 57 -23.171 -5.660 -15.983 347 3HB ALA 57 3HB ALA 57 -24.704 -5.561 -15.118 348 H SER 58 H SER 58 -21.567 -7.182 -13.344 349 HA SER 58 HA SER 58 -23.090 -7.935 -10.930 350 1HB SER 58 2HB SER 58 -22.536 -9.777 -12.254 351 2HB SER 58 1HB SER 58 -20.973 -9.106 -12.711 352 HG SER 58 HG SER 58 -21.401 -10.867 -10.875 353 H GLY 59 H GLY 59 -20.927 -5.613 -11.429 354 1HA GLY 59 2HA GLY 59 -19.351 -4.508 -10.086 355 2HA GLY 59 1HA GLY 59 -20.060 -5.383 -8.728 356 H ALA 60 H ALA 60 -18.011 -6.160 -11.556 357 HA ALA 60 HA ALA 60 -16.044 -7.431 -9.704 358 1HB ALA 60 1HB ALA 60 -18.003 -8.884 -10.971 359 2HB ALA 60 2HB ALA 60 -16.443 -9.542 -10.477 360 3HB ALA 60 3HB ALA 60 -16.681 -8.987 -12.134 361 H ALA 61 H ALA 61 -13.955 -7.047 -10.410 362 HA ALA 61 HA ALA 61 -13.548 -6.255 -13.259 363 1HB ALA 61 1HB ALA 61 -11.867 -4.759 -11.466 364 2HB ALA 61 2HB ALA 61 -13.550 -4.595 -10.964 365 3HB ALA 61 3HB ALA 61 -13.071 -4.156 -12.603 366 H SER 62 H SER 62 -12.593 -8.445 -13.457 367 HA SER 62 HA SER 62 -10.032 -8.866 -11.961 368 1HB SER 62 2HB SER 62 -10.985 -10.915 -13.854 369 2HB SER 62 1HB SER 62 -10.564 -11.083 -12.152 370 HG SER 62 HG SER 62 -12.883 -11.323 -12.884 371 H PHE 63 H PHE 63 -8.210 -8.131 -13.036 372 HA PHE 63 HA PHE 63 -7.987 -8.638 -15.959 373 1HB PHE 63 2HB PHE 63 -7.323 -6.165 -16.202 374 2HB PHE 63 1HB PHE 63 -9.039 -6.499 -15.960 375 HD1 PHE 63 HD1 PHE 63 -5.901 -5.590 -14.151 376 HD2 PHE 63 HD2 PHE 63 -10.194 -5.611 -14.097 377 HE1 PHE 63 HE1 PHE 63 -5.880 -4.199 -12.099 378 HE2 PHE 63 HE2 PHE 63 -10.176 -4.219 -12.045 379 HZ PHE 63 HZ PHE 63 -8.018 -3.512 -11.046 380 H SER 64 H SER 64 -5.739 -7.651 -16.672 381 HA SER 64 HA SER 64 -3.737 -8.752 -14.805 382 1HB SER 64 2HB SER 64 -2.281 -8.466 -16.797 383 2HB SER 64 1HB SER 64 -3.757 -9.345 -17.189 384 HG SER 64 HG SER 64 -2.989 -7.403 -18.524 385 H PHE 65 H PHE 65 -1.832 -7.500 -14.212 386 HA PHE 65 HA PHE 65 -2.101 -4.530 -14.442 387 1HB PHE 65 2HB PHE 65 -3.083 -5.362 -12.317 388 2HB PHE 65 1HB PHE 65 -1.563 -6.160 -11.942 389 HD1 PHE 65 HD1 PHE 65 -2.488 -2.782 -13.269 390 HD2 PHE 65 HD2 PHE 65 -0.371 -5.039 -10.291 391 HE1 PHE 65 HE1 PHE 65 -1.625 -0.678 -12.286 392 HE2 PHE 65 HE2 PHE 65 0.492 -2.935 -9.308 393 HZ PHE 65 HZ PHE 65 -0.134 -0.756 -10.306 394 H VAL 66 H VAL 66 0.109 -3.565 -13.473 395 HA VAL 66 HA VAL 66 2.378 -5.392 -14.183 396 HB VAL 66 HB VAL 66 2.300 -2.483 -14.981 397 1HG1 VAL 66 1HG1 VAL 66 3.801 -3.396 -16.801 398 2HG1 VAL 66 2HG1 VAL 66 3.749 -4.953 -15.974 399 3HG1 VAL 66 3HG1 VAL 66 4.456 -3.551 -15.171 400 1HG2 VAL 66 1HG2 VAL 66 0.259 -3.531 -15.909 401 2HG2 VAL 66 2HG2 VAL 66 1.239 -4.829 -16.593 402 3HG2 VAL 66 3HG2 VAL 66 1.422 -3.178 -17.187 403 H VAL 67 H VAL 67 4.393 -4.780 -13.172 404 HA VAL 67 HA VAL 67 4.158 -2.771 -10.958 405 HB VAL 67 HB VAL 67 5.291 -4.410 -9.499 406 1HG1 VAL 67 1HG1 VAL 67 2.841 -4.443 -9.552 407 2HG1 VAL 67 2HG1 VAL 67 3.454 -6.088 -9.379 408 3HG1 VAL 67 3HG1 VAL 67 2.866 -5.525 -10.944 409 1HG2 VAL 67 1HG2 VAL 67 6.642 -5.754 -10.832 410 2HG2 VAL 67 2HG2 VAL 67 5.415 -5.920 -12.088 411 3HG2 VAL 67 3HG2 VAL 67 5.271 -6.836 -10.589 412 H ARG 68 H ARG 68 6.431 -2.245 -10.094 413 HA ARG 68 HA ARG 68 8.598 -2.657 -12.083 414 1HB ARG 68 2HB ARG 68 6.913 -0.436 -12.116 415 2HB ARG 68 1HB ARG 68 8.349 0.138 -11.266 416 1HG ARG 68 2HG ARG 68 9.691 -0.974 -13.168 417 2HG ARG 68 1HG ARG 68 8.160 -1.028 -14.041 418 1HD ARG 68 2HD ARG 68 8.021 1.298 -14.216 419 2HD ARG 68 1HD ARG 68 9.047 1.562 -12.792 420 HE ARG 68 HE ARG 68 10.986 1.097 -14.134 421 1HH1 ARG 68 1HH2 ARG 68 10.017 -1.152 -15.778 422 2HH1 ARG 68 2HH2 ARG 68 9.852 -0.443 -17.350 423 1HH2 ARG 68 1HH1 ARG 68 9.910 2.820 -16.176 424 2HH2 ARG 68 2HH1 ARG 68 9.793 1.806 -17.575 425 H LYS 69 H LYS 69 10.636 -2.596 -11.104 426 HA LYS 69 HA LYS 69 10.761 -2.710 -8.203 427 1HB LYS 69 2HB LYS 69 12.154 -4.042 -9.760 428 2HB LYS 69 1HB LYS 69 12.910 -2.556 -10.338 429 1HG LYS 69 2HG LYS 69 14.038 -2.188 -8.328 430 2HG LYS 69 1HG LYS 69 12.913 -3.181 -7.402 431 1HD LYS 69 2HD LYS 69 14.413 -4.855 -7.583 432 2HD LYS 69 1HD LYS 69 13.982 -4.938 -9.291 433 1HE LYS 69 2HE LYS 69 15.824 -3.623 -9.952 434 2HE LYS 69 1HE LYS 69 16.035 -2.946 -8.325 435 1HZ LYS 69 1HZ LYS 69 16.722 -5.036 -7.492 436 2HZ LYS 69 2HZ LYS 69 17.620 -4.778 -8.911 437 3HZ LYS 69 3HZ LYS 69 16.293 -5.838 -8.923 438 H SER 70 H SER 70 12.026 -0.414 -10.642 439 HA SER 70 HA SER 70 12.305 1.606 -8.439 440 1HB SER 70 2HB SER 70 14.189 2.473 -9.756 441 2HB SER 70 1HB SER 70 14.425 0.760 -9.424 442 HG SER 70 HG SER 70 13.995 2.078 -11.802 443 H TYR 71 H TYR 71 11.467 3.688 -8.866 444 HA TYR 71 HA TYR 71 10.513 4.388 -11.565 445 1HB TYR 71 2HB TYR 71 8.165 4.356 -10.981 446 2HB TYR 71 1HB TYR 71 8.841 2.781 -10.560 447 HD1 TYR 71 HD1 TYR 71 7.930 6.112 -9.157 448 HD2 TYR 71 HD2 TYR 71 8.839 1.999 -8.321 449 HE1 TYR 71 HE1 TYR 71 7.243 6.441 -6.796 450 HE2 TYR 71 HE2 TYR 71 8.152 2.326 -5.960 451 HH TYR 71 HH TYR 71 6.704 5.362 -4.874 452 H THR 72 H THR 72 10.231 6.626 -11.744 453 HA THR 72 HA THR 72 11.383 8.393 -9.866 454 HB THR 72 HB THR 72 9.263 8.810 -11.997 455 HG1 THR 72 HG1 THR 72 11.097 8.077 -12.924 456 1HG2 THR 72 1HG2 THR 72 10.053 11.171 -11.986 457 2HG2 THR 72 2HG2 THR 72 11.037 10.806 -10.570 458 3HG2 THR 72 3HG2 THR 72 9.279 10.711 -10.469 459 H GLY 73 H GLY 73 10.639 8.973 -7.859 460 1HA GLY 73 2HA GLY 73 7.706 8.735 -7.338 461 2HA GLY 73 1HA GLY 73 8.952 8.626 -6.094 462 H SER 74 H SER 74 6.910 10.400 -5.681 463 HA SER 74 HA SER 74 8.357 12.969 -5.649 464 1HB SER 74 2HB SER 74 7.376 13.103 -7.823 465 2HB SER 74 1HB SER 74 5.859 12.406 -7.263 466 HG SER 74 HG SER 74 5.450 14.281 -6.130 467 H THR 75 H THR 75 7.389 14.448 -4.112 468 HA THR 75 HA THR 75 6.154 13.311 -1.835 469 HB THR 75 HB THR 75 5.724 15.712 -1.274 470 HG1 THR 75 HG1 THR 75 5.900 17.214 -2.789 471 1HG2 THR 75 1HG2 THR 75 8.217 14.458 -1.922 472 2HG2 THR 75 2HG2 THR 75 7.890 15.677 -0.689 473 3HG2 THR 75 3HG2 THR 75 8.321 16.172 -2.326 474 HA PRO 76 HA PRO 76 1.904 13.090 -2.864 475 1HB PRO 76 2HB PRO 76 0.726 13.688 -0.473 476 2HB PRO 76 1HB PRO 76 1.567 12.155 -0.780 477 1HG PRO 76 2HG PRO 76 2.493 14.551 0.711 478 2HG PRO 76 1HG PRO 76 2.809 12.837 1.017 479 1HD PRO 76 2HD PRO 76 4.596 14.566 -0.178 480 2HD PRO 76 1HD PRO 76 4.621 12.799 -0.365 481 H GLU 77 H GLU 77 3.008 16.029 -1.233 482 HA GLU 77 HA GLU 77 0.667 17.628 -1.760 483 1HB GLU 77 2HB GLU 77 3.548 18.075 -1.031 484 2HB GLU 77 1HB GLU 77 2.533 19.460 -1.440 485 1HG GLU 77 2HG GLU 77 0.843 18.533 0.250 486 2HG GLU 77 1HG GLU 77 2.136 17.461 0.793 487 H GLY 78 H GLY 78 3.623 16.949 -3.587 488 1HA GLY 78 2HA GLY 78 3.170 17.012 -6.113 489 2HA GLY 78 1HA GLY 78 2.550 18.635 -5.811 490 H THR 79 H THR 79 5.511 16.712 -5.201 491 HA THR 79 HA THR 79 7.133 18.968 -6.244 492 HB THR 79 HB THR 79 7.610 17.777 -3.502 493 HG1 THR 79 HG1 THR 79 6.449 20.288 -4.071 494 1HG2 THR 79 1HG2 THR 79 9.383 19.052 -4.999 495 2HG2 THR 79 2HG2 THR 79 9.270 19.375 -3.269 496 3HG2 THR 79 3HG2 THR 79 8.515 20.476 -4.423 497 HA PRO 80 HA PRO 80 8.920 15.060 -7.605 498 1HB PRO 80 2HB PRO 80 10.280 16.150 -9.714 499 2HB PRO 80 1HB PRO 80 8.557 15.728 -9.784 500 1HG PRO 80 2HG PRO 80 9.837 18.387 -9.401 501 2HG PRO 80 1HG PRO 80 8.383 17.955 -10.313 502 1HD PRO 80 2HD PRO 80 8.331 19.100 -7.825 503 2HD PRO 80 1HD PRO 80 7.034 18.066 -8.466 504 H VAL 81 H VAL 81 10.901 14.228 -6.968 505 HA VAL 81 HA VAL 81 13.060 16.191 -6.267 506 HB VAL 81 HB VAL 81 12.171 13.627 -4.917 507 1HG1 VAL 81 1HG1 VAL 81 14.210 15.505 -3.773 508 2HG1 VAL 81 2HG1 VAL 81 14.722 14.339 -4.993 509 3HG1 VAL 81 3HG1 VAL 81 13.996 13.778 -3.486 510 1HG2 VAL 81 1HG2 VAL 81 12.288 16.315 -3.600 511 2HG2 VAL 81 2HG2 VAL 81 11.205 14.959 -3.281 512 3HG2 VAL 81 3HG2 VAL 81 10.946 15.980 -4.696 513 H GLY 82 H GLY 82 13.006 12.645 -6.305 514 1HA GLY 82 2HA GLY 82 14.792 12.607 -8.656 515 2HA GLY 82 1HA GLY 82 15.436 11.950 -7.152 516 H SER 83 H SER 83 15.560 9.844 -8.201 517 HA SER 83 HA SER 83 12.967 8.561 -8.891 518 1HB SER 83 2HB SER 83 14.432 6.843 -9.841 519 2HB SER 83 1HB SER 83 14.965 8.432 -10.377 520 HG SER 83 HG SER 83 16.271 6.576 -8.913 521 H VAL 84 H VAL 84 12.272 6.636 -7.813 522 HA VAL 84 HA VAL 84 13.494 6.208 -5.105 523 HB VAL 84 HB VAL 84 10.705 5.806 -6.226 524 1HG1 VAL 84 1HG1 VAL 84 10.277 4.437 -4.496 525 2HG1 VAL 84 2HG1 VAL 84 10.826 5.674 -3.367 526 3HG1 VAL 84 3HG1 VAL 84 11.972 4.513 -4.027 527 1HG2 VAL 84 1HG2 VAL 84 10.181 7.567 -4.477 528 2HG2 VAL 84 2HG2 VAL 84 11.169 8.140 -5.821 529 3HG2 VAL 84 3HG2 VAL 84 11.920 7.778 -4.267 530 H ASP 85 H ASP 85 13.704 3.986 -4.384 531 HA ASP 85 HA ASP 85 13.339 1.882 -6.477 532 1HB ASP 85 2HB ASP 85 15.715 3.092 -6.052 533 2HB ASP 85 1HB ASP 85 15.806 1.845 -4.807 534 H CYS 86 H CYS 86 12.269 0.155 -5.554 535 HA CYS 86 HA CYS 86 11.946 0.015 -2.629 536 1HB CYS 86 2HB CYS 86 10.110 -0.361 -4.280 537 2HB CYS 86 1HB CYS 86 10.967 -1.785 -4.870 538 H ALA 87 H ALA 87 14.658 -0.405 -3.399 539 HA ALA 87 HA ALA 87 15.125 -3.326 -3.393 540 1HB ALA 87 1HB ALA 87 17.325 -2.717 -3.966 541 2HB ALA 87 2HB ALA 87 17.201 -1.159 -3.150 542 3HB ALA 87 3HB ALA 87 16.369 -1.421 -4.684 543 H THR 88 H THR 88 16.039 -0.527 -1.346 544 HA THR 88 HA THR 88 16.609 -2.411 0.896 545 HB THR 88 HB THR 88 18.259 -0.670 0.092 546 HG1 THR 88 HG1 THR 88 18.929 -0.518 2.085 547 1HG2 THR 88 1HG2 THR 88 15.925 0.977 0.360 548 2HG2 THR 88 2HG2 THR 88 17.509 1.414 -0.279 549 3HG2 THR 88 3HG2 THR 88 17.178 1.580 1.445 550 H ALA 89 H ALA 89 14.014 -0.701 -0.250 551 HA ALA 89 HA ALA 89 12.987 -0.120 2.494 552 1HB ALA 89 1HB ALA 89 12.745 1.947 1.594 553 2HB ALA 89 2HB ALA 89 11.432 1.258 0.640 554 3HB ALA 89 3HB ALA 89 13.060 1.343 -0.033 555 H ALA 90 H ALA 90 10.298 0.170 1.792 556 HA ALA 90 HA ALA 90 9.581 -2.539 0.726 557 1HB ALA 90 1HB ALA 90 8.223 -1.027 2.972 558 2HB ALA 90 2HB ALA 90 9.495 -2.218 3.242 559 3HB ALA 90 3HB ALA 90 7.968 -2.710 2.511 560 H CYS 91 H CYS 91 7.948 -2.518 -0.791 561 HA CYS 91 HA CYS 91 6.456 0.053 -1.177 562 1HB CYS 91 2HB CYS 91 6.531 -0.726 -3.655 563 2HB CYS 91 1HB CYS 91 8.016 -0.087 -2.958 564 H ASN 92 H ASN 92 4.271 -0.205 -1.070 565 HA ASN 92 HA ASN 92 3.170 -2.985 -1.240 566 1HB ASN 92 2HB ASN 92 1.948 -0.473 -0.061 567 2HB ASN 92 1HB ASN 92 1.419 -2.136 0.196 568 1HD2 ASN 92 1HD2 ASN 92 2.315 -0.250 2.296 569 2HD2 ASN 92 2HD2 ASN 92 3.674 -0.959 3.025 570 H LEU 93 H LEU 93 0.935 -3.109 -2.207 571 HA LEU 93 HA LEU 93 0.533 -1.081 -4.385 572 1HB LEU 93 2HB LEU 93 1.427 -2.933 -5.508 573 2HB LEU 93 1HB LEU 93 0.714 -4.085 -4.382 574 HG LEU 93 HG LEU 93 -1.559 -3.410 -5.318 575 1HD1 LEU 93 1HD1 LEU 93 -0.921 -1.287 -6.334 576 2HD1 LEU 93 2HD1 LEU 93 -1.488 -2.383 -7.594 577 3HD1 LEU 93 3HD1 LEU 93 0.241 -2.104 -7.379 578 1HD2 LEU 93 1HD2 LEU 93 -1.231 -4.758 -7.411 579 2HD2 LEU 93 2HD2 LEU 93 -0.530 -5.508 -5.977 580 3HD2 LEU 93 3HD2 LEU 93 0.509 -4.678 -7.135 581 H GLY 94 H GLY 94 -1.365 -0.053 -3.777 582 1HA GLY 94 2HA GLY 94 -3.582 -1.792 -2.763 583 2HA GLY 94 1HA GLY 94 -3.369 -0.113 -2.272 584 H ALA 95 H ALA 95 -5.780 -1.032 -3.370 585 HA ALA 95 HA ALA 95 -5.810 0.336 -6.045 586 1HB ALA 95 1HB ALA 95 -6.509 -1.696 -6.761 587 2HB ALA 95 2HB ALA 95 -8.005 -1.377 -5.883 588 3HB ALA 95 3HB ALA 95 -6.703 -2.279 -5.107 589 H GLY 96 H GLY 96 -8.035 1.267 -6.519 590 1HA GLY 96 2HA GLY 96 -10.218 1.957 -5.512 591 2HA GLY 96 1HA GLY 96 -9.344 2.202 -3.999 592 H ASN 97 H ASN 97 -10.341 4.430 -4.243 593 HA ASN 97 HA ASN 97 -8.398 6.195 -5.618 594 1HB ASN 97 2HB ASN 97 -10.074 5.931 -7.291 595 2HB ASN 97 1HB ASN 97 -11.373 6.019 -6.103 596 1HD2 ASN 97 1HD2 ASN 97 -12.281 8.067 -5.749 597 2HD2 ASN 97 2HD2 ASN 97 -11.601 9.527 -6.286 598 H SER 98 H SER 98 -8.814 8.539 -4.939 599 HA SER 98 HA SER 98 -8.786 8.899 -2.168 600 1HB SER 98 2HB SER 98 -9.996 10.907 -4.056 601 2HB SER 98 1HB SER 98 -8.916 11.196 -2.696 602 HG SER 98 HG SER 98 -7.278 10.136 -3.896 603 H GLY 99 H GLY 99 -10.403 8.067 -0.856 604 1HA GLY 99 2HA GLY 99 -12.607 8.866 0.108 605 2HA GLY 99 1HA GLY 99 -13.221 8.799 -1.545 606 H LEU 100 H LEU 100 -12.189 6.400 -2.442 607 HA LEU 100 HA LEU 100 -13.686 4.452 -0.748 608 1HB LEU 100 2HB LEU 100 -14.106 5.030 -3.264 609 2HB LEU 100 1HB LEU 100 -12.691 4.017 -3.557 610 HG LEU 100 HG LEU 100 -14.408 2.671 -1.698 611 1HD1 LEU 100 1HD1 LEU 100 -16.007 2.632 -4.083 612 2HD1 LEU 100 2HD1 LEU 100 -15.855 4.299 -3.526 613 3HD1 LEU 100 3HD1 LEU 100 -16.493 3.062 -2.443 614 1HD2 LEU 100 1HD2 LEU 100 -13.254 1.140 -2.915 615 2HD2 LEU 100 2HD2 LEU 100 -13.057 2.245 -4.275 616 3HD2 LEU 100 3HD2 LEU 100 -14.547 1.318 -4.101 617 H ASP 101 H ASP 101 -12.727 2.232 -0.600 618 HA ASP 101 HA ASP 101 -9.776 2.097 -0.979 619 1HB ASP 101 2HB ASP 101 -10.519 3.033 1.313 620 2HB ASP 101 1HB ASP 101 -11.091 1.398 1.648 621 H LEU 102 H LEU 102 -9.229 0.071 -1.716 622 HA LEU 102 HA LEU 102 -11.285 -2.088 -1.512 623 1HB LEU 102 2HB LEU 102 -8.940 -1.620 -3.378 624 2HB LEU 102 1HB LEU 102 -10.030 -3.004 -3.473 625 HG LEU 102 HG LEU 102 -10.889 -0.103 -3.685 626 1HD1 LEU 102 1HD1 LEU 102 -10.330 -2.247 -5.737 627 2HD1 LEU 102 2HD1 LEU 102 -9.729 -0.589 -5.694 628 3HD1 LEU 102 3HD1 LEU 102 -11.421 -0.906 -6.082 629 1HD2 LEU 102 1HD2 LEU 102 -12.750 -1.284 -2.863 630 2HD2 LEU 102 2HD2 LEU 102 -12.323 -2.753 -3.741 631 3HD2 LEU 102 3HD2 LEU 102 -12.984 -1.367 -4.609 632 H GLY 103 H GLY 103 -7.771 -1.524 -1.260 633 1HA GLY 103 2HA GLY 103 -7.234 -2.897 1.064 634 2HA GLY 103 1HA GLY 103 -7.300 -4.179 -0.145 635 H HIS 104 H HIS 104 -4.917 -3.896 1.058 636 HA HIS 104 HA HIS 104 -3.219 -2.698 -1.091 637 1HB HIS 104 2HB HIS 104 -3.393 -2.039 1.813 638 2HB HIS 104 1HB HIS 104 -1.782 -2.068 1.096 639 HD1 HIS 104 HD1 HIS 104 -1.092 0.050 -0.027 640 HD2 HIS 104 HD2 HIS 104 -5.243 -0.313 0.144 641 HE1 HIS 104 HE1 HIS 104 -2.041 2.193 -0.995 642 H VAL 105 H VAL 105 -2.256 -4.572 -1.851 643 HA VAL 105 HA VAL 105 -1.483 -6.741 0.010 644 HB VAL 105 HB VAL 105 -0.880 -6.650 -2.941 645 1HG1 VAL 105 1HG1 VAL 105 -1.691 -9.059 -2.674 646 2HG1 VAL 105 2HG1 VAL 105 -1.695 -8.758 -0.935 647 3HG1 VAL 105 3HG1 VAL 105 -0.189 -8.649 -1.845 648 1HG2 VAL 105 1HG2 VAL 105 -3.564 -6.549 -1.656 649 2HG2 VAL 105 2HG2 VAL 105 -3.362 -7.725 -2.954 650 3HG2 VAL 105 3HG2 VAL 105 -3.065 -6.013 -3.260 651 H ALA 106 H ALA 106 0.470 -6.478 1.053 652 HA ALA 106 HA ALA 106 2.559 -4.707 0.251 653 1HB ALA 106 1HB ALA 106 1.909 -6.310 2.406 654 2HB ALA 106 2HB ALA 106 3.417 -5.411 2.241 655 3HB ALA 106 3HB ALA 106 3.345 -7.107 1.762 656 H LEU 107 H LEU 107 4.152 -4.960 -1.297 657 HA LEU 107 HA LEU 107 4.313 -7.598 -2.689 658 1HB LEU 107 2HB LEU 107 5.426 -4.865 -3.398 659 2HB LEU 107 1HB LEU 107 5.342 -6.267 -4.466 660 HG LEU 107 HG LEU 107 2.887 -5.067 -3.172 661 1HD1 LEU 107 1HD1 LEU 107 4.475 -4.151 -5.489 662 2HD1 LEU 107 2HD1 LEU 107 3.296 -3.274 -4.514 663 3HD1 LEU 107 3HD1 LEU 107 2.751 -4.344 -5.807 664 1HD2 LEU 107 1HD2 LEU 107 1.883 -6.220 -5.252 665 2HD2 LEU 107 2HD2 LEU 107 2.454 -7.268 -3.953 666 3HD2 LEU 107 3HD2 LEU 107 3.441 -7.037 -5.397 667 H THR 108 H THR 108 6.568 -8.267 -3.367 668 HA THR 108 HA THR 108 8.664 -7.408 -1.419 669 HB THR 108 HB THR 108 8.310 -10.288 -2.184 670 HG1 THR 108 HG1 THR 108 6.529 -10.423 -1.115 671 1HG2 THR 108 1HG2 THR 108 10.145 -10.221 -0.841 672 2HG2 THR 108 2HG2 THR 108 8.954 -10.167 0.460 673 3HG2 THR 108 3HG2 THR 108 9.688 -8.674 -0.128 674 H PHE 109 H PHE 109 10.861 -8.003 -2.180 675 HA PHE 109 HA PHE 109 11.032 -8.601 -5.101 676 1HB PHE 109 2HB PHE 109 11.773 -6.148 -3.592 677 2HB PHE 109 1HB PHE 109 12.918 -6.682 -4.821 678 HD1 PHE 109 HD1 PHE 109 12.382 -6.595 -7.168 679 HD2 PHE 109 HD2 PHE 109 9.425 -5.607 -4.214 680 HE1 PHE 109 HE1 PHE 109 10.917 -5.673 -8.945 681 HE2 PHE 109 HE2 PHE 109 7.959 -4.683 -5.990 682 HZ PHE 109 HZ PHE 109 8.704 -4.716 -8.357 683 H GLY 110 H GLY 110 12.987 -9.654 -5.682 684 1HA GLY 110 2HA GLY 110 15.179 -10.541 -5.288 685 2HA GLY 110 1HA GLY 110 15.040 -10.059 -3.596 Start of MODEL 28 1 1H ALA 1 1H ALA 1 -17.402 -4.666 4.070 2 2H ALA 1 2H ALA 1 -17.955 -5.732 2.870 3 3H ALA 1 3H ALA 1 -17.346 -4.207 2.436 4 HA ALA 1 HA ALA 1 -15.135 -4.827 3.164 5 1HB ALA 1 1HB ALA 1 -16.220 -7.580 3.692 6 2HB ALA 1 2HB ALA 1 -16.382 -6.333 4.930 7 3HB ALA 1 3HB ALA 1 -14.782 -6.809 4.360 8 HA PRO 2 HA PRO 2 -15.828 -6.350 -1.093 9 1HB PRO 2 2HB PRO 2 -13.864 -4.801 -2.206 10 2HB PRO 2 1HB PRO 2 -15.516 -4.211 -1.918 11 1HG PRO 2 2HG PRO 2 -13.039 -3.766 -0.318 12 2HG PRO 2 1HG PRO 2 -14.354 -2.643 -0.699 13 1HD PRO 2 2HD PRO 2 -14.116 -3.904 1.707 14 2HD PRO 2 1HD PRO 2 -15.675 -3.398 1.018 15 H ALA 3 H ALA 3 -13.435 -6.556 -2.652 16 HA ALA 3 HA ALA 3 -11.519 -8.074 -0.955 17 1HB ALA 3 1HB ALA 3 -13.524 -9.455 -1.877 18 2HB ALA 3 2HB ALA 3 -11.900 -10.106 -2.088 19 3HB ALA 3 3HB ALA 3 -12.709 -9.306 -3.434 20 H PHE 4 H PHE 4 -9.502 -7.500 -1.602 21 HA PHE 4 HA PHE 4 -8.999 -6.937 -4.497 22 1HB PHE 4 2HB PHE 4 -9.395 -4.812 -3.353 23 2HB PHE 4 1HB PHE 4 -8.256 -5.254 -2.082 24 HD1 PHE 4 HD1 PHE 4 -8.646 -3.756 -5.326 25 HD2 PHE 4 HD2 PHE 4 -5.813 -5.690 -2.742 26 HE1 PHE 4 HE1 PHE 4 -6.785 -2.817 -6.666 27 HE2 PHE 4 HE2 PHE 4 -3.951 -4.751 -4.083 28 HZ PHE 4 HZ PHE 4 -4.437 -3.314 -6.045 29 H SER 5 H SER 5 -7.442 -8.463 -5.031 30 HA SER 5 HA SER 5 -5.047 -8.656 -3.283 31 1HB SER 5 2HB SER 5 -6.706 -10.308 -2.470 32 2HB SER 5 1HB SER 5 -6.783 -11.013 -4.082 33 HG SER 5 HG SER 5 -5.322 -12.125 -2.706 34 H VAL 6 H VAL 6 -3.398 -10.165 -4.364 35 HA VAL 6 HA VAL 6 -3.626 -10.045 -7.349 36 HB VAL 6 HB VAL 6 -1.944 -8.562 -5.558 37 1HG1 VAL 6 1HG1 VAL 6 -0.431 -10.561 -5.608 38 2HG1 VAL 6 2HG1 VAL 6 0.303 -9.125 -6.321 39 3HG1 VAL 6 3HG1 VAL 6 -0.332 -10.399 -7.362 40 1HG2 VAL 6 1HG2 VAL 6 -1.423 -8.741 -8.507 41 2HG2 VAL 6 2HG2 VAL 6 -1.490 -7.317 -7.468 42 3HG2 VAL 6 3HG2 VAL 6 -2.980 -8.132 -7.945 43 H SER 7 H SER 7 -2.686 -11.874 -8.415 44 HA SER 7 HA SER 7 -2.511 -14.310 -6.901 45 1HB SER 7 2HB SER 7 -2.129 -13.376 -9.688 46 2HB SER 7 1HB SER 7 -1.330 -14.889 -9.274 47 HG SER 7 HG SER 7 -4.048 -14.234 -9.351 48 HA PRO 8 HA PRO 8 2.193 -14.137 -7.337 49 1HB PRO 8 2HB PRO 8 3.392 -12.263 -8.901 50 2HB PRO 8 1HB PRO 8 2.772 -13.789 -9.554 51 1HG PRO 8 2HG PRO 8 1.588 -11.066 -9.663 52 2HG PRO 8 1HG PRO 8 1.566 -12.358 -10.872 53 1HD PRO 8 2HD PRO 8 -0.546 -11.742 -9.212 54 2HD PRO 8 1HD PRO 8 -0.289 -13.317 -9.991 55 H ALA 9 H ALA 9 1.241 -12.985 -5.222 56 HA ALA 9 HA ALA 9 1.877 -10.147 -4.912 57 1HB ALA 9 1HB ALA 9 0.275 -12.064 -3.686 58 2HB ALA 9 2HB ALA 9 0.536 -10.417 -3.111 59 3HB ALA 9 3HB ALA 9 1.526 -11.737 -2.488 60 H SER 10 H SER 10 3.680 -13.045 -4.767 61 HA SER 10 HA SER 10 5.886 -11.605 -3.333 62 1HB SER 10 2HB SER 10 5.349 -13.095 -1.679 63 2HB SER 10 1HB SER 10 4.515 -14.177 -2.790 64 HG SER 10 HG SER 10 6.305 -15.290 -2.398 65 H GLY 11 H GLY 11 7.701 -11.549 -4.596 66 1HA GLY 11 2HA GLY 11 9.413 -12.493 -5.980 67 2HA GLY 11 1HA GLY 11 8.338 -13.847 -6.340 68 H LEU 12 H LEU 12 8.629 -10.332 -6.913 69 HA LEU 12 HA LEU 12 7.210 -10.743 -9.522 70 1HB LEU 12 2HB LEU 12 7.577 -8.320 -7.729 71 2HB LEU 12 1HB LEU 12 6.716 -8.301 -9.269 72 HG LEU 12 HG LEU 12 5.995 -10.134 -6.967 73 1HD1 LEU 12 1HD1 LEU 12 5.572 -7.333 -7.205 74 2HD1 LEU 12 2HD1 LEU 12 4.881 -8.430 -6.010 75 3HD1 LEU 12 3HD1 LEU 12 4.023 -8.117 -7.519 76 1HD2 LEU 12 1HD2 LEU 12 3.796 -9.708 -8.617 77 2HD2 LEU 12 2HD2 LEU 12 4.830 -11.136 -8.626 78 3HD2 LEU 12 3HD2 LEU 12 5.144 -9.816 -9.749 79 H SER 13 H SER 13 8.036 -9.273 -11.303 80 HA SER 13 HA SER 13 10.946 -8.670 -11.019 81 1HB SER 13 2HB SER 13 9.450 -10.380 -12.958 82 2HB SER 13 1HB SER 13 10.869 -9.515 -13.538 83 HG SER 13 HG SER 13 11.901 -11.134 -12.671 84 H ASP 14 H ASP 14 11.661 -6.873 -12.265 85 HA ASP 14 HA ASP 14 9.811 -4.765 -12.757 86 1HB ASP 14 2HB ASP 14 11.800 -3.763 -13.920 87 2HB ASP 14 1HB ASP 14 12.190 -4.436 -12.336 88 H GLY 15 H GLY 15 8.479 -4.402 -14.493 89 1HA GLY 15 2HA GLY 15 7.892 -4.339 -16.811 90 2HA GLY 15 1HA GLY 15 9.203 -5.470 -17.141 91 H GLN 16 H GLN 16 8.381 -7.285 -14.968 92 HA GLN 16 HA GLN 16 6.738 -9.089 -16.401 93 1HB GLN 16 2HB GLN 16 8.203 -9.645 -14.496 94 2HB GLN 16 1HB GLN 16 7.143 -8.738 -13.415 95 1HG GLN 16 2HG GLN 16 5.287 -10.257 -13.903 96 2HG GLN 16 1HG GLN 16 6.286 -11.136 -15.062 97 1HE2 GLN 16 1HE2 GLN 16 5.601 -10.707 -11.650 98 2HE2 GLN 16 2HE2 GLN 16 6.675 -11.895 -11.089 99 H SER 17 H SER 17 4.494 -9.618 -16.168 100 HA SER 17 HA SER 17 2.800 -7.326 -15.288 101 1HB SER 17 2HB SER 17 2.652 -9.547 -17.272 102 2HB SER 17 1HB SER 17 1.131 -8.972 -16.600 103 HG SER 17 HG SER 17 1.383 -7.515 -18.120 104 H VAL 18 H VAL 18 1.424 -7.572 -13.556 105 HA VAL 18 HA VAL 18 1.433 -10.183 -12.135 106 HB VAL 18 HB VAL 18 0.555 -8.697 -10.279 107 1HG1 VAL 18 1HG1 VAL 18 2.698 -7.936 -9.738 108 2HG1 VAL 18 2HG1 VAL 18 3.070 -7.491 -11.403 109 3HG1 VAL 18 3HG1 VAL 18 3.055 -9.189 -10.926 110 1HG2 VAL 18 1HG2 VAL 18 0.032 -6.969 -12.417 111 2HG2 VAL 18 2HG2 VAL 18 1.420 -6.241 -11.609 112 3HG2 VAL 18 3HG2 VAL 18 -0.061 -6.556 -10.705 113 H SER 19 H SER 19 -0.756 -10.667 -11.009 114 HA SER 19 HA SER 19 -2.974 -10.097 -12.942 115 1HB SER 19 2HB SER 19 -3.063 -12.424 -11.096 116 2HB SER 19 1HB SER 19 -3.556 -12.318 -12.783 117 HG SER 19 HG SER 19 -1.227 -12.141 -13.225 118 H VAL 20 H VAL 20 -4.345 -8.626 -12.048 119 HA VAL 20 HA VAL 20 -4.698 -8.596 -9.093 120 HB VAL 20 HB VAL 20 -5.152 -6.685 -11.376 121 1HG1 VAL 20 1HG1 VAL 20 -6.985 -5.919 -10.275 122 2HG1 VAL 20 2HG1 VAL 20 -5.832 -5.277 -9.105 123 3HG1 VAL 20 3HG1 VAL 20 -6.600 -6.838 -8.819 124 1HG2 VAL 20 1HG2 VAL 20 -3.884 -5.768 -8.912 125 2HG2 VAL 20 2HG2 VAL 20 -3.287 -5.702 -10.570 126 3HG2 VAL 20 3HG2 VAL 20 -3.062 -7.163 -9.608 127 H SER 21 H SER 21 -6.790 -8.726 -8.189 128 HA SER 21 HA SER 21 -9.083 -9.258 -9.998 129 1HB SER 21 2HB SER 21 -7.971 -11.417 -9.686 130 2HB SER 21 1HB SER 21 -7.973 -11.197 -7.940 131 HG SER 21 HG SER 21 -10.075 -11.779 -9.699 132 H VAL 22 H VAL 22 -10.849 -8.256 -9.132 133 HA VAL 22 HA VAL 22 -10.871 -7.722 -6.179 134 HB VAL 22 HB VAL 22 -11.994 -6.101 -8.489 135 1HG1 VAL 22 1HG1 VAL 22 -13.062 -6.028 -6.099 136 2HG1 VAL 22 2HG1 VAL 22 -12.683 -4.510 -6.913 137 3HG1 VAL 22 3HG1 VAL 22 -11.604 -5.135 -5.666 138 1HG2 VAL 22 1HG2 VAL 22 -10.031 -4.954 -8.559 139 2HG2 VAL 22 2HG2 VAL 22 -9.348 -6.362 -7.743 140 3HG2 VAL 22 3HG2 VAL 22 -9.864 -4.962 -6.804 141 H SER 23 H SER 23 -12.753 -8.340 -5.099 142 HA SER 23 HA SER 23 -15.198 -8.941 -6.667 143 1HB SER 23 2HB SER 23 -15.145 -11.214 -5.342 144 2HB SER 23 1HB SER 23 -14.223 -11.047 -6.832 145 HG SER 23 HG SER 23 -13.095 -11.904 -4.900 146 H GLY 24 H GLY 24 -16.631 -7.722 -5.520 147 1HA GLY 24 2HA GLY 24 -17.704 -8.344 -3.067 148 2HA GLY 24 1HA GLY 24 -16.349 -7.294 -2.646 149 H ALA 25 H ALA 25 -16.333 -5.383 -4.552 150 HA ALA 25 HA ALA 25 -18.449 -3.622 -3.825 151 1HB ALA 25 1HB ALA 25 -16.063 -3.649 -5.353 152 2HB ALA 25 2HB ALA 25 -17.002 -2.241 -4.860 153 3HB ALA 25 3HB ALA 25 -17.325 -3.019 -6.410 154 H ALA 26 H ALA 26 -19.150 -2.643 -6.519 155 HA ALA 26 HA ALA 26 -20.514 -4.776 -7.967 156 1HB ALA 26 1HB ALA 26 -22.770 -4.211 -7.267 157 2HB ALA 26 2HB ALA 26 -22.177 -2.858 -6.305 158 3HB ALA 26 3HB ALA 26 -21.813 -4.513 -5.817 159 H ALA 27 H ALA 27 -21.855 -3.868 -9.737 160 HA ALA 27 HA ALA 27 -20.619 -1.876 -11.257 161 1HB ALA 27 1HB ALA 27 -22.404 -2.236 -12.686 162 2HB ALA 27 2HB ALA 27 -23.585 -2.212 -11.377 163 3HB ALA 27 3HB ALA 27 -22.580 -3.638 -11.631 164 H GLY 28 H GLY 28 -20.527 0.318 -11.081 165 1HA GLY 28 2HA GLY 28 -21.961 2.395 -10.849 166 2HA GLY 28 1HA GLY 28 -22.558 1.663 -9.363 167 H GLU 29 H GLU 29 -19.296 0.932 -9.760 168 HA GLU 29 HA GLU 29 -18.405 3.378 -8.292 169 1HB GLU 29 2HB GLU 29 -18.178 0.481 -7.433 170 2HB GLU 29 1HB GLU 29 -17.266 1.787 -6.678 171 1HG GLU 29 2HG GLU 29 -20.253 2.004 -6.951 172 2HG GLU 29 1HG GLU 29 -19.552 1.075 -5.628 173 H THR 30 H THR 30 -16.463 4.077 -9.089 174 HA THR 30 HA THR 30 -14.804 2.153 -10.693 175 HB THR 30 HB THR 30 -14.916 5.180 -10.854 176 HG1 THR 30 HG1 THR 30 -16.932 4.424 -11.375 177 1HG2 THR 30 1HG2 THR 30 -13.466 3.031 -12.242 178 2HG2 THR 30 2HG2 THR 30 -13.092 4.750 -12.126 179 3HG2 THR 30 3HG2 THR 30 -14.254 4.179 -13.323 180 H TYR 31 H TYR 31 -12.470 2.285 -10.357 181 HA TYR 31 HA TYR 31 -11.600 3.963 -8.034 182 1HB TYR 31 2HB TYR 31 -10.756 1.087 -8.356 183 2HB TYR 31 1HB TYR 31 -10.719 2.085 -6.906 184 HD1 TYR 31 HD1 TYR 31 -13.230 3.159 -6.424 185 HD2 TYR 31 HD2 TYR 31 -12.345 -0.594 -8.317 186 HE1 TYR 31 HE1 TYR 31 -15.467 2.306 -5.777 187 HE2 TYR 31 HE2 TYR 31 -14.581 -1.445 -7.670 188 HH TYR 31 HH TYR 31 -16.311 -1.026 -6.082 189 H TYR 32 H TYR 32 -9.070 3.517 -7.789 190 HA TYR 32 HA TYR 32 -7.794 3.493 -10.498 191 1HB TYR 32 2HB TYR 32 -7.565 5.461 -8.207 192 2HB TYR 32 1HB TYR 32 -6.352 5.371 -9.484 193 HD1 TYR 32 HD1 TYR 32 -7.284 5.425 -11.950 194 HD2 TYR 32 HD2 TYR 32 -9.434 6.837 -8.507 195 HE1 TYR 32 HE1 TYR 32 -8.722 6.817 -13.417 196 HE2 TYR 32 HE2 TYR 32 -10.871 8.229 -9.976 197 HH TYR 32 HH TYR 32 -10.120 8.969 -13.117 198 H ILE 33 H ILE 33 -6.572 1.609 -10.343 199 HA ILE 33 HA ILE 33 -5.350 0.813 -7.778 200 HB ILE 33 HB ILE 33 -6.477 -0.710 -9.453 201 1HG1 ILE 33 2HG1 ILE 33 -3.667 -1.671 -9.288 202 2HG1 ILE 33 1HG1 ILE 33 -4.428 -1.218 -7.762 203 1HG2 ILE 33 1HG2 ILE 33 -3.913 -0.354 -11.017 204 2HG2 ILE 33 2HG2 ILE 33 -5.406 0.492 -11.423 205 3HG2 ILE 33 3HG2 ILE 33 -5.347 -1.269 -11.487 206 1HD1 ILE 33 1HD1 ILE 33 -6.428 -2.650 -8.992 207 2HD1 ILE 33 2HD1 ILE 33 -5.307 -3.309 -7.800 208 3HD1 ILE 33 3HD1 ILE 33 -4.982 -3.508 -9.522 209 H ALA 34 H ALA 34 -3.311 1.416 -7.207 210 HA ALA 34 HA ALA 34 -1.225 1.767 -9.281 211 1HB ALA 34 1HB ALA 34 -2.035 3.966 -9.271 212 2HB ALA 34 2HB ALA 34 -0.758 4.046 -8.057 213 3HB ALA 34 3HB ALA 34 -2.444 3.907 -7.556 214 H GLN 35 H GLN 35 0.953 2.065 -8.216 215 HA GLN 35 HA GLN 35 0.995 0.800 -5.496 216 1HB GLN 35 2HB GLN 35 3.095 -0.240 -6.249 217 2HB GLN 35 1HB GLN 35 1.796 -0.599 -7.386 218 1HG GLN 35 2HG GLN 35 2.755 0.607 -9.057 219 2HG GLN 35 1HG GLN 35 3.264 1.893 -7.963 220 1HE2 GLN 35 1HE2 GLN 35 4.216 -1.227 -9.344 221 2HE2 GLN 35 2HE2 GLN 35 5.828 -1.168 -8.817 222 H CYS 36 H CYS 36 2.579 1.620 -4.002 223 HA CYS 36 HA CYS 36 4.185 3.973 -4.838 224 1HB CYS 36 2HB CYS 36 2.034 3.992 -2.703 225 2HB CYS 36 1HB CYS 36 3.150 5.320 -3.015 226 H ALA 37 H ALA 37 5.662 4.675 -3.066 227 HA ALA 37 HA ALA 37 6.069 2.783 -0.822 228 1HB ALA 37 1HB ALA 37 7.756 1.675 -1.842 229 2HB ALA 37 2HB ALA 37 8.573 3.196 -2.198 230 3HB ALA 37 3HB ALA 37 7.381 2.551 -3.326 231 HA PRO 38 HA PRO 38 7.346 6.550 1.054 232 1HB PRO 38 2HB PRO 38 8.949 5.575 3.049 233 2HB PRO 38 1HB PRO 38 7.178 5.492 3.092 234 1HG PRO 38 2HG PRO 38 9.150 3.383 2.339 235 2HG PRO 38 1HG PRO 38 7.665 3.246 3.296 236 1HD PRO 38 2HD PRO 38 7.791 2.499 0.691 237 2HD PRO 38 1HD PRO 38 6.310 3.147 1.433 238 H VAL 39 H VAL 39 9.363 7.819 1.509 239 HA VAL 39 HA VAL 39 11.753 6.784 0.042 240 HB VAL 39 HB VAL 39 11.921 9.128 -0.909 241 1HG1 VAL 39 1HG1 VAL 39 9.555 7.344 -1.511 242 2HG1 VAL 39 2HG1 VAL 39 11.087 7.450 -2.378 243 3HG1 VAL 39 3HG1 VAL 39 9.921 8.770 -2.483 244 1HG2 VAL 39 1HG2 VAL 39 9.099 9.709 -0.594 245 2HG2 VAL 39 2HG2 VAL 39 10.487 10.726 -0.212 246 3HG2 VAL 39 3HG2 VAL 39 9.876 9.584 0.984 247 H GLY 40 H GLY 40 11.839 6.576 2.677 248 1HA GLY 40 2HA GLY 40 13.333 7.152 4.416 249 2HA GLY 40 1HA GLY 40 13.858 8.533 3.456 250 H GLY 41 H GLY 41 10.734 9.131 3.280 251 1HA GLY 41 2HA GLY 41 9.902 9.794 5.927 252 2HA GLY 41 1HA GLY 41 10.721 11.188 5.235 253 H GLN 42 H GLN 42 9.886 11.126 2.603 254 HA GLN 42 HA GLN 42 7.047 11.903 2.892 255 1HB GLN 42 2HB GLN 42 9.243 12.850 1.503 256 2HB GLN 42 1HB GLN 42 8.308 12.046 0.241 257 1HG GLN 42 2HG GLN 42 7.659 14.438 0.531 258 2HG GLN 42 1HG GLN 42 6.322 13.329 0.843 259 1HE2 GLN 42 1HE2 GLN 42 5.352 13.413 2.903 260 2HE2 GLN 42 2HE2 GLN 42 5.946 14.338 4.197 261 H ASP 43 H ASP 43 5.485 11.198 1.169 262 HA ASP 43 HA ASP 43 5.787 8.283 0.644 263 1HB ASP 43 2HB ASP 43 3.799 8.969 1.824 264 2HB ASP 43 1HB ASP 43 3.481 10.247 0.651 265 H ALA 44 H ALA 44 6.244 7.600 -1.419 266 HA ALA 44 HA ALA 44 5.925 9.574 -3.653 267 1HB ALA 44 1HB ALA 44 7.957 8.835 -4.367 268 2HB ALA 44 2HB ALA 44 7.544 7.147 -4.062 269 3HB ALA 44 3HB ALA 44 8.110 8.169 -2.742 270 H CYS 45 H CYS 45 4.970 8.831 -5.628 271 HA CYS 45 HA CYS 45 3.670 6.138 -5.543 272 1HB CYS 45 2HB CYS 45 2.499 8.864 -5.652 273 2HB CYS 45 1HB CYS 45 1.779 7.678 -6.741 274 H ASN 46 H ASN 46 3.040 5.372 -7.727 275 HA ASN 46 HA ASN 46 4.803 6.552 -9.847 276 1HB ASN 46 2HB ASN 46 4.880 4.097 -8.868 277 2HB ASN 46 1HB ASN 46 3.524 3.841 -9.968 278 1HD2 ASN 46 1HD2 ASN 46 4.749 6.004 -11.811 279 2HD2 ASN 46 2HD2 ASN 46 5.986 5.181 -12.630 280 HA PRO 47 HA PRO 47 0.639 7.559 -11.371 281 1HB PRO 47 2HB PRO 47 1.393 9.828 -12.688 282 2HB PRO 47 1HB PRO 47 1.021 9.797 -10.954 283 1HG PRO 47 2HG PRO 47 3.655 9.863 -12.319 284 2HG PRO 47 1HG PRO 47 3.155 10.597 -10.788 285 1HD PRO 47 2HD PRO 47 4.635 8.269 -11.015 286 2HD PRO 47 1HD PRO 47 3.686 8.736 -9.587 287 H ALA 48 H ALA 48 3.745 7.434 -13.041 288 HA ALA 48 HA ALA 48 2.917 7.452 -15.743 289 1HB ALA 48 1HB ALA 48 5.106 6.879 -16.074 290 2HB ALA 48 2HB ALA 48 5.011 5.512 -14.964 291 3HB ALA 48 3HB ALA 48 5.236 7.144 -14.335 292 H THR 49 H THR 49 2.975 4.780 -13.412 293 HA THR 49 HA THR 49 1.774 2.953 -15.437 294 HB THR 49 HB THR 49 2.214 1.389 -13.331 295 HG1 THR 49 HG1 THR 49 2.765 2.940 -11.872 296 1HG2 THR 49 1HG2 THR 49 4.572 2.526 -14.841 297 2HG2 THR 49 2HG2 THR 49 3.399 1.440 -15.583 298 3HG2 THR 49 3HG2 THR 49 4.374 0.886 -14.223 299 H ALA 50 H ALA 50 0.197 5.131 -14.297 300 HA ALA 50 HA ALA 50 -1.545 3.951 -12.240 301 1HB ALA 50 1HB ALA 50 -0.808 6.403 -12.572 302 2HB ALA 50 2HB ALA 50 -2.510 6.120 -12.214 303 3HB ALA 50 3HB ALA 50 -2.001 6.451 -13.870 304 H THR 51 H THR 51 -3.650 3.194 -12.594 305 HA THR 51 HA THR 51 -4.834 3.343 -15.300 306 HB THR 51 HB THR 51 -3.303 1.370 -15.238 307 HG1 THR 51 HG1 THR 51 -4.978 1.031 -16.555 308 1HG2 THR 51 1HG2 THR 51 -5.059 -0.149 -13.435 309 2HG2 THR 51 2HG2 THR 51 -4.148 1.135 -12.638 310 3HG2 THR 51 3HG2 THR 51 -3.298 -0.122 -13.535 311 H SER 52 H SER 52 -7.115 3.195 -15.199 312 HA SER 52 HA SER 52 -8.267 2.959 -12.441 313 1HB SER 52 2HB SER 52 -9.845 4.552 -13.150 314 2HB SER 52 1HB SER 52 -8.377 5.069 -13.974 315 HG SER 52 HG SER 52 -9.583 4.877 -15.692 316 H PHE 53 H PHE 53 -10.195 1.698 -12.170 317 HA PHE 53 HA PHE 53 -11.179 0.114 -14.475 318 1HB PHE 53 2HB PHE 53 -10.597 -1.985 -13.460 319 2HB PHE 53 1HB PHE 53 -9.146 -0.985 -13.388 320 HD1 PHE 53 HD1 PHE 53 -8.446 0.075 -11.260 321 HD2 PHE 53 HD2 PHE 53 -11.816 -2.578 -11.462 322 HE1 PHE 53 HE1 PHE 53 -8.413 -0.156 -8.793 323 HE2 PHE 53 HE2 PHE 53 -11.782 -2.809 -8.995 324 HZ PHE 53 HZ PHE 53 -10.082 -1.597 -7.660 325 H THR 54 H THR 54 -13.363 -0.301 -14.223 326 HA THR 54 HA THR 54 -14.631 0.522 -11.664 327 HB THR 54 HB THR 54 -15.834 -0.020 -14.392 328 HG1 THR 54 HG1 THR 54 -14.586 1.674 -14.778 329 1HG2 THR 54 1HG2 THR 54 -16.818 1.314 -11.870 330 2HG2 THR 54 2HG2 THR 54 -17.552 -0.024 -12.752 331 3HG2 THR 54 3HG2 THR 54 -17.576 1.602 -13.436 332 H THR 55 H THR 55 -16.683 -0.803 -11.145 333 HA THR 55 HA THR 55 -15.938 -3.649 -10.996 334 HB THR 55 HB THR 55 -18.320 -3.502 -9.771 335 HG1 THR 55 HG1 THR 55 -18.239 -1.255 -8.858 336 1HG2 THR 55 1HG2 THR 55 -16.563 -2.098 -8.036 337 2HG2 THR 55 2HG2 THR 55 -15.578 -3.181 -9.019 338 3HG2 THR 55 3HG2 THR 55 -16.910 -3.826 -8.060 339 H ASP 56 H ASP 56 -18.529 -4.819 -11.038 340 HA ASP 56 HA ASP 56 -19.660 -4.235 -13.732 341 1HB ASP 56 2HB ASP 56 -18.211 -6.739 -12.855 342 2HB ASP 56 1HB ASP 56 -19.367 -6.772 -14.184 343 H ALA 57 H ALA 57 -21.180 -6.679 -13.853 344 HA ALA 57 HA ALA 57 -23.420 -6.063 -12.234 345 1HB ALA 57 1HB ALA 57 -22.760 -7.782 -14.293 346 2HB ALA 57 2HB ALA 57 -24.327 -7.730 -13.485 347 3HB ALA 57 3HB ALA 57 -23.103 -8.884 -12.959 348 H SER 58 H SER 58 -21.071 -8.707 -11.814 349 HA SER 58 HA SER 58 -22.069 -9.210 -9.086 350 1HB SER 58 2HB SER 58 -21.415 -11.011 -10.672 351 2HB SER 58 1HB SER 58 -19.771 -10.378 -10.693 352 HG SER 58 HG SER 58 -19.624 -11.795 -9.100 353 H GLY 59 H GLY 59 -20.446 -6.715 -10.132 354 1HA GLY 59 2HA GLY 59 -18.807 -5.283 -9.249 355 2HA GLY 59 1HA GLY 59 -19.122 -6.081 -7.707 356 H ALA 60 H ALA 60 -17.735 -7.304 -10.769 357 HA ALA 60 HA ALA 60 -15.366 -8.227 -9.175 358 1HB ALA 60 1HB ALA 60 -16.381 -9.386 -11.772 359 2HB ALA 60 2HB ALA 60 -17.053 -9.876 -10.217 360 3HB ALA 60 3HB ALA 60 -15.347 -10.154 -10.567 361 H ALA 61 H ALA 61 -13.422 -7.383 -9.801 362 HA ALA 61 HA ALA 61 -13.185 -6.240 -12.554 363 1HB ALA 61 1HB ALA 61 -13.409 -4.830 -10.183 364 2HB ALA 61 2HB ALA 61 -12.701 -4.204 -11.672 365 3HB ALA 61 3HB ALA 61 -11.663 -4.901 -10.429 366 H SER 62 H SER 62 -12.043 -8.266 -13.068 367 HA SER 62 HA SER 62 -9.360 -8.532 -11.758 368 1HB SER 62 2HB SER 62 -9.535 -10.850 -12.781 369 2HB SER 62 1HB SER 62 -10.746 -10.495 -11.554 370 HG SER 62 HG SER 62 -12.253 -10.222 -13.119 371 H PHE 63 H PHE 63 -7.554 -8.182 -13.029 372 HA PHE 63 HA PHE 63 -7.641 -8.470 -15.949 373 1HB PHE 63 2HB PHE 63 -7.091 -6.001 -16.255 374 2HB PHE 63 1HB PHE 63 -8.747 -6.344 -15.752 375 HD1 PHE 63 HD1 PHE 63 -5.513 -4.940 -14.754 376 HD2 PHE 63 HD2 PHE 63 -9.470 -5.955 -13.426 377 HE1 PHE 63 HE1 PHE 63 -5.185 -3.555 -12.720 378 HE2 PHE 63 HE2 PHE 63 -9.145 -4.572 -11.394 379 HZ PHE 63 HZ PHE 63 -7.002 -3.372 -11.040 380 H SER 64 H SER 64 -5.459 -7.628 -16.880 381 HA SER 64 HA SER 64 -3.295 -8.536 -15.063 382 1HB SER 64 2HB SER 64 -3.850 -9.212 -17.553 383 2HB SER 64 1HB SER 64 -2.963 -7.741 -17.942 384 HG SER 64 HG SER 64 -1.180 -8.729 -17.425 385 H PHE 65 H PHE 65 -1.709 -7.174 -14.319 386 HA PHE 65 HA PHE 65 -1.701 -4.334 -15.268 387 1HB PHE 65 2HB PHE 65 -2.810 -4.625 -13.086 388 2HB PHE 65 1HB PHE 65 -1.410 -5.505 -12.477 389 HD1 PHE 65 HD1 PHE 65 -2.113 -2.261 -14.239 390 HD2 PHE 65 HD2 PHE 65 0.056 -4.305 -11.146 391 HE1 PHE 65 HE1 PHE 65 -1.054 -0.122 -13.568 392 HE2 PHE 65 HE2 PHE 65 1.114 -2.166 -10.476 393 HZ PHE 65 HZ PHE 65 0.560 -0.075 -11.686 394 H VAL 66 H VAL 66 0.542 -3.323 -14.313 395 HA VAL 66 HA VAL 66 2.711 -5.344 -14.774 396 HB VAL 66 HB VAL 66 2.903 -2.452 -15.585 397 1HG1 VAL 66 1HG1 VAL 66 4.075 -4.259 -17.429 398 2HG1 VAL 66 2HG1 VAL 66 4.496 -4.835 -15.815 399 3HG1 VAL 66 3HG1 VAL 66 4.904 -3.188 -16.297 400 1HG2 VAL 66 1HG2 VAL 66 1.451 -4.690 -17.004 401 2HG2 VAL 66 2HG2 VAL 66 2.179 -3.363 -17.910 402 3HG2 VAL 66 3HG2 VAL 66 0.910 -3.034 -16.731 403 H VAL 67 H VAL 67 4.713 -4.877 -13.650 404 HA VAL 67 HA VAL 67 4.471 -2.870 -11.428 405 HB VAL 67 HB VAL 67 5.675 -4.606 -10.053 406 1HG1 VAL 67 1HG1 VAL 67 3.604 -6.225 -10.107 407 2HG1 VAL 67 2HG1 VAL 67 2.948 -5.040 -11.237 408 3HG1 VAL 67 3HG1 VAL 67 3.385 -4.550 -9.601 409 1HG2 VAL 67 1HG2 VAL 67 6.630 -5.829 -12.008 410 2HG2 VAL 67 2HG2 VAL 67 5.007 -6.383 -12.422 411 3HG2 VAL 67 3HG2 VAL 67 5.755 -6.897 -10.910 412 H ARG 68 H ARG 68 6.834 -2.678 -10.388 413 HA ARG 68 HA ARG 68 8.975 -2.859 -12.442 414 1HB ARG 68 2HB ARG 68 7.661 -0.374 -11.377 415 2HB ARG 68 1HB ARG 68 9.373 -0.320 -11.795 416 1HG ARG 68 2HG ARG 68 8.948 -0.881 -14.066 417 2HG ARG 68 1HG ARG 68 7.302 -1.398 -13.710 418 1HD ARG 68 2HD ARG 68 6.606 0.689 -14.242 419 2HD ARG 68 1HD ARG 68 7.477 1.279 -12.813 420 HE ARG 68 HE ARG 68 8.885 0.884 -15.420 421 1HH1 ARG 68 1HH1 ARG 68 7.463 3.145 -13.345 422 2HH1 ARG 68 2HH1 ARG 68 8.796 4.252 -13.374 423 1HH2 ARG 68 1HH2 ARG 68 10.867 2.121 -15.162 424 2HH2 ARG 68 2HH2 ARG 68 10.723 3.671 -14.403 425 H LYS 69 H LYS 69 10.669 -3.753 -11.295 426 HA LYS 69 HA LYS 69 10.903 -4.043 -8.521 427 1HB LYS 69 2HB LYS 69 12.276 -5.127 -10.310 428 2HB LYS 69 1HB LYS 69 13.132 -3.600 -10.534 429 1HG LYS 69 2HG LYS 69 13.298 -3.962 -7.807 430 2HG LYS 69 1HG LYS 69 13.428 -5.614 -8.413 431 1HD LYS 69 2HD LYS 69 15.153 -3.242 -9.175 432 2HD LYS 69 1HD LYS 69 15.660 -4.706 -8.332 433 1HE LYS 69 2HE LYS 69 15.307 -6.062 -10.299 434 2HE LYS 69 1HE LYS 69 14.524 -4.712 -11.147 435 1HZ LYS 69 1HZ LYS 69 16.506 -3.489 -11.179 436 2HZ LYS 69 2HZ LYS 69 16.980 -5.061 -11.615 437 3HZ LYS 69 3HZ LYS 69 17.259 -4.492 -10.038 438 H SER 70 H SER 70 11.916 -1.317 -10.552 439 HA SER 70 HA SER 70 12.180 0.350 -8.091 440 1HB SER 70 2HB SER 70 14.319 -0.746 -9.481 441 2HB SER 70 1HB SER 70 14.207 0.883 -10.138 442 HG SER 70 HG SER 70 14.273 1.665 -8.001 443 H TYR 71 H TYR 71 11.492 2.477 -8.429 444 HA TYR 71 HA TYR 71 11.083 3.461 -11.202 445 1HB TYR 71 2HB TYR 71 8.713 3.665 -10.962 446 2HB TYR 71 1HB TYR 71 9.095 2.048 -10.370 447 HD1 TYR 71 HD1 TYR 71 9.228 1.614 -7.910 448 HD2 TYR 71 HD2 TYR 71 7.877 5.372 -9.493 449 HE1 TYR 71 HE1 TYR 71 8.249 2.192 -5.706 450 HE2 TYR 71 HE2 TYR 71 6.898 5.949 -7.288 451 HH TYR 71 HH TYR 71 6.427 5.214 -5.233 452 H THR 72 H THR 72 11.170 5.729 -11.282 453 HA THR 72 HA THR 72 12.218 7.147 -9.014 454 HB THR 72 HB THR 72 12.106 7.466 -11.741 455 HG1 THR 72 HG1 THR 72 12.549 9.812 -10.389 456 1HG2 THR 72 1HG2 THR 72 10.937 9.634 -12.150 457 2HG2 THR 72 2HG2 THR 72 10.262 9.549 -10.524 458 3HG2 THR 72 3HG2 THR 72 9.819 8.339 -11.727 459 H GLY 73 H GLY 73 11.163 8.363 -7.452 460 1HA GLY 73 2HA GLY 73 8.306 8.017 -7.105 461 2HA GLY 73 1HA GLY 73 9.349 9.028 -6.103 462 H SER 74 H SER 74 6.894 10.052 -6.711 463 HA SER 74 HA SER 74 7.611 12.368 -8.413 464 1HB SER 74 2HB SER 74 6.622 10.469 -9.805 465 2HB SER 74 1HB SER 74 5.118 10.731 -8.929 466 HG SER 74 HG SER 74 5.508 13.040 -9.609 467 H THR 75 H THR 75 6.732 14.211 -7.516 468 HA THR 75 HA THR 75 4.914 13.928 -5.201 469 HB THR 75 HB THR 75 5.381 16.474 -5.197 470 HG1 THR 75 HG1 THR 75 6.526 17.202 -6.782 471 1HG2 THR 75 1HG2 THR 75 7.315 14.242 -4.766 472 2HG2 THR 75 2HG2 THR 75 6.648 15.390 -3.604 473 3HG2 THR 75 3HG2 THR 75 7.943 15.888 -4.691 474 HA PRO 76 HA PRO 76 1.321 15.265 -7.331 475 1HB PRO 76 2HB PRO 76 0.085 16.849 -5.484 476 2HB PRO 76 1HB PRO 76 0.192 15.084 -5.328 477 1HG PRO 76 2HG PRO 76 1.751 17.201 -3.952 478 2HG PRO 76 1HG PRO 76 1.229 15.615 -3.364 479 1HD PRO 76 2HD PRO 76 3.790 16.227 -4.242 480 2HD PRO 76 1HD PRO 76 3.112 14.589 -4.123 481 H GLU 77 H GLU 77 3.846 17.307 -6.960 482 HA GLU 77 HA GLU 77 2.398 19.577 -8.247 483 1HB GLU 77 2HB GLU 77 3.977 21.053 -7.036 484 2HB GLU 77 1HB GLU 77 3.043 20.058 -5.919 485 1HG GLU 77 2HG GLU 77 5.019 19.412 -5.048 486 2HG GLU 77 1HG GLU 77 5.240 18.476 -6.523 487 H GLY 78 H GLY 78 5.288 17.556 -8.147 488 1HA GLY 78 2HA GLY 78 6.098 17.288 -10.628 489 2HA GLY 78 1HA GLY 78 6.379 19.023 -10.504 490 H THR 79 H THR 79 7.357 15.889 -9.150 491 HA THR 79 HA THR 79 10.119 16.825 -8.877 492 HB THR 79 HB THR 79 8.684 15.939 -6.393 493 HG1 THR 79 HG1 THR 79 8.719 18.356 -6.049 494 1HG2 THR 79 1HG2 THR 79 10.502 17.157 -5.293 495 2HG2 THR 79 2HG2 THR 79 11.107 17.689 -6.862 496 3HG2 THR 79 3HG2 THR 79 11.160 15.981 -6.429 497 HA PRO 80 HA PRO 80 10.143 12.425 -9.721 498 1HB PRO 80 2HB PRO 80 12.843 12.243 -10.154 499 2HB PRO 80 1HB PRO 80 11.702 12.846 -11.373 500 1HG PRO 80 2HG PRO 80 13.487 14.373 -9.537 501 2HG PRO 80 1HG PRO 80 13.093 14.675 -11.237 502 1HD PRO 80 2HD PRO 80 11.954 16.058 -9.191 503 2HD PRO 80 1HD PRO 80 11.120 15.744 -10.730 504 H VAL 81 H VAL 81 11.706 14.195 -7.215 505 HA VAL 81 HA VAL 81 12.622 13.527 -5.135 506 HB VAL 81 HB VAL 81 10.677 11.281 -5.753 507 1HG1 VAL 81 1HG1 VAL 81 12.336 11.950 -3.387 508 2HG1 VAL 81 2HG1 VAL 81 11.660 10.399 -3.886 509 3HG1 VAL 81 3HG1 VAL 81 10.644 11.577 -3.054 510 1HG2 VAL 81 1HG2 VAL 81 10.212 14.008 -5.435 511 2HG2 VAL 81 2HG2 VAL 81 9.899 13.346 -3.831 512 3HG2 VAL 81 3HG2 VAL 81 9.016 12.729 -5.227 513 H GLY 82 H GLY 82 13.795 12.374 -7.775 514 1HA GLY 82 2HA GLY 82 15.717 11.083 -8.196 515 2HA GLY 82 1HA GLY 82 15.752 10.647 -6.487 516 H SER 83 H SER 83 16.175 8.435 -7.060 517 HA SER 83 HA SER 83 13.988 6.991 -8.473 518 1HB SER 83 2HB SER 83 16.503 5.683 -7.570 519 2HB SER 83 1HB SER 83 15.640 5.510 -9.094 520 HG SER 83 HG SER 83 16.811 7.065 -9.891 521 H VAL 84 H VAL 84 12.735 5.484 -7.407 522 HA VAL 84 HA VAL 84 13.212 5.126 -4.467 523 HB VAL 84 HB VAL 84 10.743 5.109 -6.230 524 1HG1 VAL 84 1HG1 VAL 84 10.674 4.753 -3.241 525 2HG1 VAL 84 2HG1 VAL 84 10.867 3.350 -4.289 526 3HG1 VAL 84 3HG1 VAL 84 9.434 4.366 -4.432 527 1HG2 VAL 84 1HG2 VAL 84 11.812 6.884 -4.029 528 2HG2 VAL 84 2HG2 VAL 84 10.115 6.917 -4.510 529 3HG2 VAL 84 3HG2 VAL 84 11.371 7.334 -5.676 530 H ASP 85 H ASP 85 14.262 3.155 -4.237 531 HA ASP 85 HA ASP 85 13.662 0.919 -6.074 532 1HB ASP 85 2HB ASP 85 15.944 1.681 -5.095 533 2HB ASP 85 1HB ASP 85 15.418 0.877 -3.616 534 H CYS 86 H CYS 86 12.363 -0.816 -5.536 535 HA CYS 86 HA CYS 86 11.143 -0.805 -2.802 536 1HB CYS 86 2HB CYS 86 10.235 -1.492 -5.575 537 2HB CYS 86 1HB CYS 86 9.443 -2.262 -4.203 538 H ALA 87 H ALA 87 13.701 -2.038 -3.197 539 HA ALA 87 HA ALA 87 13.131 -4.954 -3.383 540 1HB ALA 87 1HB ALA 87 15.150 -4.862 -4.388 541 2HB ALA 87 2HB ALA 87 15.862 -4.373 -2.850 542 3HB ALA 87 3HB ALA 87 15.289 -3.153 -3.984 543 H THR 88 H THR 88 14.811 -2.678 -1.178 544 HA THR 88 HA THR 88 14.556 -4.667 1.025 545 HB THR 88 HB THR 88 16.741 -3.611 0.488 546 HG1 THR 88 HG1 THR 88 17.220 -3.325 2.557 547 1HG2 THR 88 1HG2 THR 88 15.135 -1.111 0.982 548 2HG2 THR 88 2HG2 THR 88 16.195 -1.490 -0.376 549 3HG2 THR 88 3HG2 THR 88 16.884 -1.123 1.205 550 H ALA 89 H ALA 89 12.957 -1.934 -0.207 551 HA ALA 89 HA ALA 89 12.011 -0.944 2.409 552 1HB ALA 89 1HB ALA 89 11.011 -0.095 -0.298 553 2HB ALA 89 2HB ALA 89 12.637 0.355 0.216 554 3HB ALA 89 3HB ALA 89 11.240 0.883 1.152 555 H ALA 90 H ALA 90 9.387 -0.367 0.735 556 HA ALA 90 HA ALA 90 8.159 -3.067 0.785 557 1HB ALA 90 1HB ALA 90 8.164 -1.414 3.000 558 2HB ALA 90 2HB ALA 90 7.022 -2.723 2.707 559 3HB ALA 90 3HB ALA 90 6.606 -1.071 2.251 560 H CYS 91 H CYS 91 7.604 -2.808 -1.427 561 HA CYS 91 HA CYS 91 6.147 -0.390 -2.254 562 1HB CYS 91 2HB CYS 91 7.779 -2.377 -3.428 563 2HB CYS 91 1HB CYS 91 6.188 -2.567 -4.159 564 H ASN 92 H ASN 92 3.977 -0.322 -1.712 565 HA ASN 92 HA ASN 92 2.479 -2.926 -1.772 566 1HB ASN 92 2HB ASN 92 0.918 -1.616 -0.228 567 2HB ASN 92 1HB ASN 92 2.518 -1.977 0.420 568 1HD2 ASN 92 1HD2 ASN 92 2.274 -0.046 1.848 569 2HD2 ASN 92 2HD2 ASN 92 2.522 1.508 1.212 570 H LEU 93 H LEU 93 0.905 -3.126 -3.288 571 HA LEU 93 HA LEU 93 0.148 -0.739 -4.900 572 1HB LEU 93 2HB LEU 93 0.925 -2.581 -6.199 573 2HB LEU 93 1HB LEU 93 0.013 -3.742 -5.233 574 HG LEU 93 HG LEU 93 -2.098 -2.517 -6.066 575 1HD1 LEU 93 1HD1 LEU 93 -0.196 -0.789 -7.124 576 2HD1 LEU 93 2HD1 LEU 93 -1.905 -0.838 -7.563 577 3HD1 LEU 93 3HD1 LEU 93 -0.722 -1.729 -8.519 578 1HD2 LEU 93 1HD2 LEU 93 -0.664 -4.668 -7.051 579 2HD2 LEU 93 2HD2 LEU 93 -0.900 -3.667 -8.484 580 3HD2 LEU 93 3HD2 LEU 93 -2.293 -4.214 -7.551 581 H GLY 94 H GLY 94 -1.645 0.287 -4.048 582 1HA GLY 94 2HA GLY 94 -3.908 -1.471 -3.180 583 2HA GLY 94 1HA GLY 94 -3.501 0.010 -2.312 584 H ALA 95 H ALA 95 -6.034 -0.137 -3.218 585 HA ALA 95 HA ALA 95 -6.039 1.770 -5.527 586 1HB ALA 95 1HB ALA 95 -6.942 0.055 -6.704 587 2HB ALA 95 2HB ALA 95 -8.385 0.289 -5.716 588 3HB ALA 95 3HB ALA 95 -7.179 -0.910 -5.247 589 H GLY 96 H GLY 96 -8.430 2.689 -5.652 590 1HA GLY 96 2HA GLY 96 -10.391 2.980 -3.928 591 2HA GLY 96 1HA GLY 96 -9.099 3.599 -2.898 592 H ASN 97 H ASN 97 -11.357 5.146 -3.790 593 HA ASN 97 HA ASN 97 -10.111 7.023 -5.738 594 1HB ASN 97 2HB ASN 97 -12.361 7.685 -6.232 595 2HB ASN 97 1HB ASN 97 -12.388 5.926 -6.104 596 1HD2 ASN 97 1HD2 ASN 97 -13.396 4.975 -4.183 597 2HD2 ASN 97 2HD2 ASN 97 -14.389 5.898 -3.163 598 H SER 98 H SER 98 -11.387 6.745 -2.472 599 HA SER 98 HA SER 98 -10.007 9.140 -1.607 600 1HB SER 98 2HB SER 98 -12.807 9.237 -2.545 601 2HB SER 98 1HB SER 98 -12.501 10.060 -1.018 602 HG SER 98 HG SER 98 -11.922 10.860 -3.489 603 H GLY 99 H GLY 99 -13.174 7.836 -0.626 604 1HA GLY 99 2HA GLY 99 -11.982 7.236 2.042 605 2HA GLY 99 1HA GLY 99 -13.697 7.518 1.748 606 H LEU 100 H LEU 100 -13.043 5.701 -0.798 607 HA LEU 100 HA LEU 100 -14.132 3.278 0.372 608 1HB LEU 100 2HB LEU 100 -14.510 4.191 -1.947 609 2HB LEU 100 1HB LEU 100 -12.856 3.714 -2.334 610 HG LEU 100 HG LEU 100 -13.480 1.373 -1.556 611 1HD1 LEU 100 1HD1 LEU 100 -15.448 1.384 -0.386 612 2HD1 LEU 100 2HD1 LEU 100 -16.157 1.218 -1.992 613 3HD1 LEU 100 3HD1 LEU 100 -16.059 2.806 -1.233 614 1HD2 LEU 100 1HD2 LEU 100 -14.770 0.907 -3.684 615 2HD2 LEU 100 2HD2 LEU 100 -13.281 1.826 -3.908 616 3HD2 LEU 100 3HD2 LEU 100 -14.839 2.651 -3.938 617 H ASP 101 H ASP 101 -11.098 3.728 -1.451 618 HA ASP 101 HA ASP 101 -9.018 2.639 -1.238 619 1HB ASP 101 2HB ASP 101 -10.078 2.679 1.598 620 2HB ASP 101 1HB ASP 101 -8.417 2.264 1.180 621 H LEU 102 H LEU 102 -9.228 0.662 -2.328 622 HA LEU 102 HA LEU 102 -10.803 -1.545 -1.240 623 1HB LEU 102 2HB LEU 102 -9.102 -0.939 -3.618 624 2HB LEU 102 1HB LEU 102 -9.387 -2.638 -3.234 625 HG LEU 102 HG LEU 102 -11.802 -0.963 -3.077 626 1HD1 LEU 102 1HD1 LEU 102 -11.372 0.176 -4.998 627 2HD1 LEU 102 2HD1 LEU 102 -11.738 -1.357 -5.787 628 3HD1 LEU 102 3HD1 LEU 102 -10.064 -0.911 -5.461 629 1HD2 LEU 102 1HD2 LEU 102 -12.755 -2.881 -4.252 630 2HD2 LEU 102 2HD2 LEU 102 -11.720 -3.461 -2.947 631 3HD2 LEU 102 3HD2 LEU 102 -11.143 -3.497 -4.613 632 H GLY 103 H GLY 103 -7.741 -0.327 -0.524 633 1HA GLY 103 2HA GLY 103 -6.465 -1.384 1.290 634 2HA GLY 103 1HA GLY 103 -6.944 -2.947 0.637 635 H HIS 104 H HIS 104 -4.401 -3.023 0.903 636 HA HIS 104 HA HIS 104 -3.288 -2.599 -1.821 637 1HB HIS 104 2HB HIS 104 -1.363 -1.401 -0.900 638 2HB HIS 104 1HB HIS 104 -2.846 -0.571 -0.427 639 HD1 HIS 104 HD1 HIS 104 -0.258 -2.972 0.970 640 HD2 HIS 104 HD2 HIS 104 -3.275 -0.436 2.330 641 HE1 HIS 104 HE1 HIS 104 -0.064 -2.915 3.496 642 H VAL 105 H VAL 105 -2.054 -4.362 -2.384 643 HA VAL 105 HA VAL 105 -1.504 -6.404 -0.305 644 HB VAL 105 HB VAL 105 -1.411 -6.310 -3.329 645 1HG1 VAL 105 1HG1 VAL 105 -1.234 -8.961 -2.666 646 2HG1 VAL 105 2HG1 VAL 105 -0.222 -8.228 -1.422 647 3HG1 VAL 105 3HG1 VAL 105 0.144 -7.962 -3.126 648 1HG2 VAL 105 1HG2 VAL 105 -3.649 -6.415 -2.345 649 2HG2 VAL 105 2HG2 VAL 105 -3.163 -7.763 -1.318 650 3HG2 VAL 105 3HG2 VAL 105 -3.255 -7.975 -3.067 651 H ALA 106 H ALA 106 0.544 -6.704 0.511 652 HA ALA 106 HA ALA 106 2.721 -4.938 -0.197 653 1HB ALA 106 1HB ALA 106 3.824 -6.049 1.576 654 2HB ALA 106 2HB ALA 106 2.941 -7.550 1.294 655 3HB ALA 106 3HB ALA 106 2.117 -6.164 2.007 656 H LEU 107 H LEU 107 3.822 -5.162 -2.102 657 HA LEU 107 HA LEU 107 4.095 -7.822 -3.379 658 1HB LEU 107 2HB LEU 107 5.000 -5.062 -4.258 659 2HB LEU 107 1HB LEU 107 4.838 -6.489 -5.281 660 HG LEU 107 HG LEU 107 2.525 -5.280 -3.749 661 1HD1 LEU 107 1HD1 LEU 107 3.811 -4.470 -6.267 662 2HD1 LEU 107 2HD1 LEU 107 2.660 -3.592 -5.259 663 3HD1 LEU 107 3HD1 LEU 107 2.082 -4.781 -6.426 664 1HD2 LEU 107 1HD2 LEU 107 1.915 -6.739 -6.173 665 2HD2 LEU 107 2HD2 LEU 107 1.374 -7.058 -4.525 666 3HD2 LEU 107 3HD2 LEU 107 2.899 -7.734 -5.099 667 H THR 108 H THR 108 6.034 -8.941 -3.432 668 HA THR 108 HA THR 108 8.367 -7.695 -2.030 669 HB THR 108 HB THR 108 7.613 -10.575 -2.608 670 HG1 THR 108 HG1 THR 108 6.301 -9.591 -1.057 671 1HG2 THR 108 1HG2 THR 108 9.893 -9.358 -1.036 672 2HG2 THR 108 2HG2 THR 108 10.016 -10.383 -2.466 673 3HG2 THR 108 3HG2 THR 108 9.434 -11.058 -0.944 674 H PHE 109 H PHE 109 10.537 -8.618 -2.926 675 HA PHE 109 HA PHE 109 10.450 -9.008 -5.884 676 1HB PHE 109 2HB PHE 109 11.523 -6.724 -4.299 677 2HB PHE 109 1HB PHE 109 12.486 -7.257 -5.678 678 HD1 PHE 109 HD1 PHE 109 9.809 -5.187 -4.673 679 HD2 PHE 109 HD2 PHE 109 11.091 -7.724 -7.894 680 HE1 PHE 109 HE1 PHE 109 8.256 -4.018 -6.213 681 HE2 PHE 109 HE2 PHE 109 9.537 -6.555 -9.434 682 HZ PHE 109 HZ PHE 109 8.118 -4.703 -8.592 683 H GLY 110 H GLY 110 11.729 -10.756 -6.324 684 1HA GLY 110 2HA GLY 110 13.889 -11.856 -6.353 685 2HA GLY 110 1HA GLY 110 14.267 -11.081 -4.813 Start of MODEL 29 1 1H ALA 1 1H ALA 1 -15.456 -3.933 3.816 2 2H ALA 1 2H ALA 1 -16.635 -2.712 3.735 3 3H ALA 1 3H ALA 1 -15.185 -2.439 4.576 4 HA ALA 1 HA ALA 1 -15.555 -1.555 2.115 5 1HB ALA 1 1HB ALA 1 -12.879 -2.702 2.744 6 2HB ALA 1 2HB ALA 1 -13.601 -1.660 3.970 7 3HB ALA 1 3HB ALA 1 -13.320 -1.043 2.343 8 HA PRO 2 HA PRO 2 -15.272 -4.700 -0.923 9 1HB PRO 2 2HB PRO 2 -13.592 -3.639 -2.800 10 2HB PRO 2 1HB PRO 2 -15.250 -3.054 -2.542 11 1HG PRO 2 2HG PRO 2 -12.667 -1.896 -1.610 12 2HG PRO 2 1HG PRO 2 -14.128 -1.081 -2.189 13 1HD PRO 2 2HD PRO 2 -13.464 -1.300 0.457 14 2HD PRO 2 1HD PRO 2 -15.133 -1.134 -0.132 15 H ALA 3 H ALA 3 -13.148 -5.513 -2.567 16 HA ALA 3 HA ALA 3 -10.984 -6.261 -0.631 17 1HB ALA 3 1HB ALA 3 -11.256 -8.527 -1.182 18 2HB ALA 3 2HB ALA 3 -12.073 -8.154 -2.700 19 3HB ALA 3 3HB ALA 3 -12.921 -7.944 -1.168 20 H PHE 4 H PHE 4 -8.914 -6.474 -1.560 21 HA PHE 4 HA PHE 4 -8.597 -6.167 -4.500 22 1HB PHE 4 2HB PHE 4 -8.748 -3.889 -3.619 23 2HB PHE 4 1HB PHE 4 -7.544 -4.260 -2.386 24 HD1 PHE 4 HD1 PHE 4 -5.200 -5.011 -3.184 25 HD2 PHE 4 HD2 PHE 4 -8.084 -3.115 -5.743 26 HE1 PHE 4 HE1 PHE 4 -3.395 -4.404 -4.770 27 HE2 PHE 4 HE2 PHE 4 -6.277 -2.509 -7.329 28 HZ PHE 4 HZ PHE 4 -3.933 -3.154 -6.843 29 H SER 5 H SER 5 -7.231 -7.897 -4.905 30 HA SER 5 HA SER 5 -4.705 -8.043 -3.362 31 1HB SER 5 2HB SER 5 -6.978 -9.612 -2.800 32 2HB SER 5 1HB SER 5 -5.837 -10.683 -3.608 33 HG SER 5 HG SER 5 -4.823 -10.713 -1.774 34 H VAL 6 H VAL 6 -3.201 -9.684 -4.359 35 HA VAL 6 HA VAL 6 -3.767 -10.101 -7.275 36 HB VAL 6 HB VAL 6 -2.224 -8.185 -6.668 37 1HG1 VAL 6 1HG1 VAL 6 -0.268 -10.354 -5.897 38 2HG1 VAL 6 2HG1 VAL 6 -1.266 -9.538 -4.693 39 3HG1 VAL 6 3HG1 VAL 6 -0.119 -8.612 -5.662 40 1HG2 VAL 6 1HG2 VAL 6 -1.603 -10.485 -8.427 41 2HG2 VAL 6 2HG2 VAL 6 -0.238 -9.423 -8.081 42 3HG2 VAL 6 3HG2 VAL 6 -1.702 -8.768 -8.815 43 H SER 7 H SER 7 -3.148 -12.153 -8.057 44 HA SER 7 HA SER 7 -2.858 -14.340 -6.288 45 1HB SER 7 2HB SER 7 -2.516 -13.772 -9.175 46 2HB SER 7 1HB SER 7 -1.729 -15.237 -8.592 47 HG SER 7 HG SER 7 -4.345 -14.710 -7.755 48 HA PRO 8 HA PRO 8 1.840 -14.416 -6.898 49 1HB PRO 8 2HB PRO 8 3.042 -12.656 -8.607 50 2HB PRO 8 1HB PRO 8 2.395 -14.223 -9.138 51 1HG PRO 8 2HG PRO 8 1.217 -11.502 -9.403 52 2HG PRO 8 1HG PRO 8 1.181 -12.864 -10.534 53 1HD PRO 8 2HD PRO 8 -0.922 -12.166 -8.917 54 2HD PRO 8 1HD PRO 8 -0.644 -13.807 -9.542 55 H ALA 9 H ALA 9 1.369 -13.348 -4.772 56 HA ALA 9 HA ALA 9 1.804 -10.435 -4.590 57 1HB ALA 9 1HB ALA 9 1.413 -12.566 -2.466 58 2HB ALA 9 2HB ALA 9 0.101 -11.706 -3.272 59 3HB ALA 9 3HB ALA 9 1.232 -10.825 -2.245 60 H SER 10 H SER 10 3.852 -13.006 -4.931 61 HA SER 10 HA SER 10 6.080 -11.525 -3.637 62 1HB SER 10 2HB SER 10 6.754 -13.630 -2.464 63 2HB SER 10 1HB SER 10 5.206 -13.006 -1.904 64 HG SER 10 HG SER 10 5.743 -15.383 -2.930 65 H GLY 11 H GLY 11 8.114 -12.032 -4.602 66 1HA GLY 11 2HA GLY 11 9.598 -12.993 -6.171 67 2HA GLY 11 1HA GLY 11 8.389 -14.244 -6.479 68 H LEU 12 H LEU 12 8.578 -10.688 -6.919 69 HA LEU 12 HA LEU 12 7.257 -11.045 -9.578 70 1HB LEU 12 2HB LEU 12 7.651 -8.650 -7.758 71 2HB LEU 12 1HB LEU 12 6.764 -8.619 -9.282 72 HG LEU 12 HG LEU 12 5.894 -10.783 -7.509 73 1HD1 LEU 12 1HD1 LEU 12 4.593 -8.620 -6.333 74 2HD1 LEU 12 2HD1 LEU 12 6.278 -8.101 -6.412 75 3HD1 LEU 12 3HD1 LEU 12 5.853 -9.598 -5.583 76 1HD2 LEU 12 1HD2 LEU 12 4.686 -8.567 -9.150 77 2HD2 LEU 12 2HD2 LEU 12 3.682 -9.462 -8.009 78 3HD2 LEU 12 3HD2 LEU 12 4.490 -10.310 -9.328 79 H SER 13 H SER 13 8.052 -9.385 -11.263 80 HA SER 13 HA SER 13 10.964 -8.814 -11.014 81 1HB SER 13 2HB SER 13 9.529 -10.651 -12.833 82 2HB SER 13 1HB SER 13 10.738 -9.628 -13.604 83 HG SER 13 HG SER 13 12.148 -10.951 -12.797 84 H ASP 14 H ASP 14 11.641 -6.996 -12.281 85 HA ASP 14 HA ASP 14 9.741 -4.925 -12.733 86 1HB ASP 14 2HB ASP 14 12.123 -4.557 -12.341 87 2HB ASP 14 1HB ASP 14 12.526 -5.414 -13.829 88 H GLY 15 H GLY 15 8.049 -5.589 -14.135 89 1HA GLY 15 2HA GLY 15 7.605 -5.111 -16.604 90 2HA GLY 15 1HA GLY 15 8.863 -6.306 -16.907 91 H GLN 16 H GLN 16 8.055 -8.069 -14.732 92 HA GLN 16 HA GLN 16 6.287 -9.813 -16.061 93 1HB GLN 16 2HB GLN 16 7.812 -10.250 -14.097 94 2HB GLN 16 1HB GLN 16 6.619 -9.456 -13.070 95 1HG GLN 16 2HG GLN 16 4.975 -11.172 -14.293 96 2HG GLN 16 1HG GLN 16 6.468 -12.097 -14.455 97 1HE2 GLN 16 1HE2 GLN 16 4.238 -10.671 -12.075 98 2HE2 GLN 16 2HE2 GLN 16 4.812 -11.567 -10.751 99 H SER 17 H SER 17 4.040 -10.061 -16.042 100 HA SER 17 HA SER 17 2.464 -7.722 -15.134 101 1HB SER 17 2HB SER 17 1.885 -10.200 -16.772 102 2HB SER 17 1HB SER 17 0.680 -8.962 -16.433 103 HG SER 17 HG SER 17 1.510 -7.995 -18.103 104 H VAL 18 H VAL 18 1.131 -7.800 -13.349 105 HA VAL 18 HA VAL 18 1.024 -10.344 -11.812 106 HB VAL 18 HB VAL 18 0.284 -8.763 -10.000 107 1HG1 VAL 18 1HG1 VAL 18 2.790 -7.640 -11.206 108 2HG1 VAL 18 2HG1 VAL 18 2.752 -9.346 -10.757 109 3HG1 VAL 18 3HG1 VAL 18 2.465 -8.106 -9.536 110 1HG2 VAL 18 1HG2 VAL 18 1.174 -6.351 -11.340 111 2HG2 VAL 18 2HG2 VAL 18 -0.356 -6.655 -10.523 112 3HG2 VAL 18 3HG2 VAL 18 -0.169 -7.068 -12.226 113 H SER 19 H SER 19 -0.996 -11.184 -11.130 114 HA SER 19 HA SER 19 -3.287 -10.371 -12.826 115 1HB SER 19 2HB SER 19 -3.666 -12.557 -10.932 116 2HB SER 19 1HB SER 19 -3.806 -12.571 -12.687 117 HG SER 19 HG SER 19 -1.503 -12.677 -12.754 118 H VAL 20 H VAL 20 -4.330 -8.643 -11.923 119 HA VAL 20 HA VAL 20 -4.658 -8.501 -8.986 120 HB VAL 20 HB VAL 20 -5.164 -6.681 -11.337 121 1HG1 VAL 20 1HG1 VAL 20 -5.704 -5.004 -9.410 122 2HG1 VAL 20 2HG1 VAL 20 -6.078 -6.449 -8.473 123 3HG1 VAL 20 3HG1 VAL 20 -6.977 -6.099 -9.951 124 1HG2 VAL 20 1HG2 VAL 20 -3.424 -5.368 -10.320 125 2HG2 VAL 20 2HG2 VAL 20 -2.856 -7.036 -10.361 126 3HG2 VAL 20 3HG2 VAL 20 -3.465 -6.347 -8.855 127 H SER 21 H SER 21 -6.700 -8.437 -8.006 128 HA SER 21 HA SER 21 -9.103 -8.905 -9.664 129 1HB SER 21 2HB SER 21 -7.633 -10.925 -8.058 130 2HB SER 21 1HB SER 21 -9.385 -10.938 -7.879 131 HG SER 21 HG SER 21 -8.401 -12.218 -9.663 132 H VAL 22 H VAL 22 -10.578 -7.526 -8.745 133 HA VAL 22 HA VAL 22 -10.384 -6.973 -5.810 134 HB VAL 22 HB VAL 22 -11.458 -5.500 -8.222 135 1HG1 VAL 22 1HG1 VAL 22 -12.395 -3.815 -6.750 136 2HG1 VAL 22 2HG1 VAL 22 -11.811 -4.673 -5.325 137 3HG1 VAL 22 3HG1 VAL 22 -13.094 -5.373 -6.310 138 1HG2 VAL 22 1HG2 VAL 22 -8.995 -5.447 -7.310 139 2HG2 VAL 22 2HG2 VAL 22 -9.676 -4.415 -6.052 140 3HG2 VAL 22 3HG2 VAL 22 -9.783 -3.930 -7.745 141 H SER 23 H SER 23 -12.059 -7.660 -4.508 142 HA SER 23 HA SER 23 -14.587 -8.545 -5.856 143 1HB SER 23 2HB SER 23 -12.890 -9.839 -3.725 144 2HB SER 23 1HB SER 23 -14.562 -10.316 -3.995 145 HG SER 23 HG SER 23 -12.296 -10.698 -5.561 146 H GLY 24 H GLY 24 -16.254 -7.335 -5.111 147 1HA GLY 24 2HA GLY 24 -17.337 -7.055 -2.675 148 2HA GLY 24 1HA GLY 24 -15.997 -5.914 -2.532 149 H ALA 25 H ALA 25 -15.909 -4.162 -4.200 150 HA ALA 25 HA ALA 25 -18.217 -2.617 -4.392 151 1HB ALA 25 1HB ALA 25 -15.846 -2.916 -6.255 152 2HB ALA 25 2HB ALA 25 -16.027 -1.764 -4.933 153 3HB ALA 25 3HB ALA 25 -17.012 -1.600 -6.386 154 H ALA 26 H ALA 26 -19.385 -2.073 -6.565 155 HA ALA 26 HA ALA 26 -19.845 -4.525 -8.208 156 1HB ALA 26 1HB ALA 26 -22.257 -2.984 -7.531 157 2HB ALA 26 2HB ALA 26 -21.471 -3.707 -6.126 158 3HB ALA 26 3HB ALA 26 -21.989 -4.726 -7.471 159 H ALA 27 H ALA 27 -20.975 -4.021 -10.243 160 HA ALA 27 HA ALA 27 -19.913 -2.097 -11.872 161 1HB ALA 27 1HB ALA 27 -21.438 -3.003 -13.276 162 2HB ALA 27 2HB ALA 27 -22.775 -2.347 -12.333 163 3HB ALA 27 3HB ALA 27 -22.061 -3.896 -11.888 164 H GLY 28 H GLY 28 -19.822 0.100 -11.745 165 1HA GLY 28 2HA GLY 28 -21.341 2.144 -11.828 166 2HA GLY 28 1HA GLY 28 -22.032 1.513 -10.337 167 H GLU 29 H GLU 29 -18.815 0.743 -10.224 168 HA GLU 29 HA GLU 29 -18.074 3.357 -8.963 169 1HB GLU 29 2HB GLU 29 -17.716 0.539 -7.898 170 2HB GLU 29 1HB GLU 29 -17.066 1.991 -7.136 171 1HG GLU 29 2HG GLU 29 -19.996 1.820 -7.783 172 2HG GLU 29 1HG GLU 29 -19.369 1.065 -6.317 173 H THR 30 H THR 30 -16.104 4.070 -9.640 174 HA THR 30 HA THR 30 -14.350 2.179 -11.160 175 HB THR 30 HB THR 30 -14.618 5.208 -11.077 176 HG1 THR 30 HG1 THR 30 -16.222 4.565 -12.305 177 1HG2 THR 30 1HG2 THR 30 -13.191 4.677 -13.322 178 2HG2 THR 30 2HG2 THR 30 -12.577 3.421 -12.255 179 3HG2 THR 30 3HG2 THR 30 -12.450 5.110 -11.781 180 H TYR 31 H TYR 31 -11.977 2.461 -10.782 181 HA TYR 31 HA TYR 31 -11.199 3.779 -8.242 182 1HB TYR 31 2HB TYR 31 -10.784 0.841 -8.855 183 2HB TYR 31 1HB TYR 31 -10.271 1.672 -7.390 184 HD1 TYR 31 HD1 TYR 31 -11.968 2.584 -5.812 185 HD2 TYR 31 HD2 TYR 31 -13.049 0.139 -9.172 186 HE1 TYR 31 HE1 TYR 31 -14.186 2.159 -4.788 187 HE2 TYR 31 HE2 TYR 31 -15.273 -0.284 -8.147 188 HH TYR 31 HH TYR 31 -16.422 1.496 -5.455 189 H TYR 32 H TYR 32 -8.719 3.359 -7.936 190 HA TYR 32 HA TYR 32 -7.368 3.455 -10.614 191 1HB TYR 32 2HB TYR 32 -6.907 5.011 -8.048 192 2HB TYR 32 1HB TYR 32 -5.802 5.055 -9.419 193 HD1 TYR 32 HD1 TYR 32 -7.593 7.308 -8.093 194 HD2 TYR 32 HD2 TYR 32 -7.967 4.871 -11.611 195 HE1 TYR 32 HE1 TYR 32 -8.987 9.058 -9.157 196 HE2 TYR 32 HE2 TYR 32 -9.365 6.621 -12.673 197 HH TYR 32 HH TYR 32 -9.473 9.671 -11.788 198 H ILE 33 H ILE 33 -5.333 2.359 -10.709 199 HA ILE 33 HA ILE 33 -4.613 0.794 -8.251 200 HB ILE 33 HB ILE 33 -5.784 -0.618 -9.851 201 1HG1 ILE 33 2HG1 ILE 33 -2.909 -1.292 -10.380 202 2HG1 ILE 33 1HG1 ILE 33 -3.486 -1.285 -8.713 203 1HG2 ILE 33 1HG2 ILE 33 -5.054 -0.845 -12.153 204 2HG2 ILE 33 2HG2 ILE 33 -3.686 0.230 -11.867 205 3HG2 ILE 33 3HG2 ILE 33 -5.330 0.866 -11.826 206 1HD1 ILE 33 1HD1 ILE 33 -4.461 -2.975 -11.017 207 2HD1 ILE 33 2HD1 ILE 33 -5.426 -2.748 -9.558 208 3HD1 ILE 33 3HD1 ILE 33 -3.840 -3.510 -9.455 209 H ALA 34 H ALA 34 -2.609 1.479 -7.607 210 HA ALA 34 HA ALA 34 -0.479 1.725 -9.671 211 1HB ALA 34 1HB ALA 34 -1.289 3.953 -9.587 212 2HB ALA 34 2HB ALA 34 0.112 3.961 -8.516 213 3HB ALA 34 3HB ALA 34 -1.514 3.890 -7.840 214 H GLN 35 H GLN 35 1.678 1.716 -8.723 215 HA GLN 35 HA GLN 35 1.798 0.203 -6.175 216 1HB GLN 35 2HB GLN 35 3.243 0.412 -8.676 217 2HB GLN 35 1HB GLN 35 4.350 0.594 -7.316 218 1HG GLN 35 2HG GLN 35 2.395 -1.544 -6.895 219 2HG GLN 35 1HG GLN 35 3.412 -1.816 -8.312 220 1HE2 GLN 35 1HE2 GLN 35 5.803 -1.815 -7.952 221 2HE2 GLN 35 2HE2 GLN 35 6.419 -2.177 -6.413 222 H CYS 36 H CYS 36 2.634 1.102 -4.295 223 HA CYS 36 HA CYS 36 4.105 3.693 -4.487 224 1HB CYS 36 2HB CYS 36 1.593 3.091 -2.901 225 2HB CYS 36 1HB CYS 36 2.591 4.520 -2.630 226 H ALA 37 H ALA 37 5.639 3.947 -2.852 227 HA ALA 37 HA ALA 37 5.681 1.998 -0.596 228 1HB ALA 37 1HB ALA 37 8.263 2.439 -1.980 229 2HB ALA 37 2HB ALA 37 7.067 1.549 -2.921 230 3HB ALA 37 3HB ALA 37 7.574 0.944 -1.343 231 HA PRO 38 HA PRO 38 7.367 5.361 1.644 232 1HB PRO 38 2HB PRO 38 9.480 4.315 3.028 233 2HB PRO 38 1HB PRO 38 7.788 3.966 3.428 234 1HG PRO 38 2HG PRO 38 9.758 2.311 1.931 235 2HG PRO 38 1HG PRO 38 8.511 1.811 3.085 236 1HD PRO 38 2HD PRO 38 8.239 1.577 0.371 237 2HD PRO 38 1HD PRO 38 6.867 1.757 1.488 238 H VAL 39 H VAL 39 9.327 6.787 1.910 239 HA VAL 39 HA VAL 39 11.501 6.295 -0.064 240 HB VAL 39 HB VAL 39 9.770 7.457 -1.307 241 1HG1 VAL 39 1HG1 VAL 39 8.351 8.908 -0.328 242 2HG1 VAL 39 2HG1 VAL 39 9.685 9.926 0.214 243 3HG1 VAL 39 3HG1 VAL 39 9.157 8.564 1.203 244 1HG2 VAL 39 1HG2 VAL 39 11.038 9.272 -2.101 245 2HG2 VAL 39 2HG2 VAL 39 12.261 8.246 -1.353 246 3HG2 VAL 39 3HG2 VAL 39 11.655 9.665 -0.496 247 H GLY 40 H GLY 40 12.774 6.117 1.948 248 1HA GLY 40 2HA GLY 40 14.341 7.065 3.425 249 2HA GLY 40 1HA GLY 40 13.948 8.641 2.737 250 H GLY 41 H GLY 41 11.087 7.209 3.659 251 1HA GLY 41 2HA GLY 41 10.590 7.143 6.255 252 2HA GLY 41 1HA GLY 41 11.019 8.845 6.124 253 H GLN 42 H GLN 42 9.858 9.664 3.837 254 HA GLN 42 HA GLN 42 7.033 9.750 4.532 255 1HB GLN 42 2HB GLN 42 8.578 10.726 2.106 256 2HB GLN 42 1HB GLN 42 6.960 11.252 2.572 257 1HG GLN 42 2HG GLN 42 7.860 12.806 3.925 258 2HG GLN 42 1HG GLN 42 8.642 11.528 4.856 259 1HE2 GLN 42 1HE2 GLN 42 9.142 13.922 2.313 260 2HE2 GLN 42 2HE2 GLN 42 10.823 13.716 2.197 261 H ASP 43 H ASP 43 6.339 9.814 1.553 262 HA ASP 43 HA ASP 43 6.615 6.982 0.750 263 1HB ASP 43 2HB ASP 43 4.482 7.897 2.357 264 2HB ASP 43 1HB ASP 43 3.813 7.708 0.736 265 H ALA 44 H ALA 44 6.793 6.966 -1.449 266 HA ALA 44 HA ALA 44 5.627 9.260 -2.981 267 1HB ALA 44 1HB ALA 44 8.172 8.917 -2.742 268 2HB ALA 44 2HB ALA 44 7.548 9.125 -4.379 269 3HB ALA 44 3HB ALA 44 7.953 7.515 -3.786 270 H CYS 45 H CYS 45 4.634 8.719 -5.029 271 HA CYS 45 HA CYS 45 3.929 5.812 -5.302 272 1HB CYS 45 2HB CYS 45 2.453 8.400 -5.565 273 2HB CYS 45 1HB CYS 45 1.947 7.060 -6.590 274 H ASN 46 H ASN 46 3.496 5.138 -7.601 275 HA ASN 46 HA ASN 46 5.512 6.342 -9.423 276 1HB ASN 46 2HB ASN 46 5.368 3.879 -8.859 277 2HB ASN 46 1HB ASN 46 3.827 3.841 -9.717 278 1HD2 ASN 46 1HD2 ASN 46 5.825 2.236 -10.760 279 2HD2 ASN 46 2HD2 ASN 46 6.445 2.910 -12.189 280 HA PRO 47 HA PRO 47 2.055 8.194 -11.544 281 1HB PRO 47 2HB PRO 47 3.537 9.798 -13.176 282 2HB PRO 47 1HB PRO 47 3.232 10.176 -11.470 283 1HG PRO 47 2HG PRO 47 5.691 9.190 -12.763 284 2HG PRO 47 1HG PRO 47 5.493 10.131 -11.279 285 1HD PRO 47 2HD PRO 47 5.996 7.353 -11.472 286 2HD PRO 47 1HD PRO 47 5.577 8.263 -10.006 287 H ALA 48 H ALA 48 4.888 6.794 -13.136 288 HA ALA 48 HA ALA 48 3.850 6.636 -15.797 289 1HB ALA 48 1HB ALA 48 6.220 6.339 -14.981 290 2HB ALA 48 2HB ALA 48 5.691 5.093 -16.111 291 3HB ALA 48 3HB ALA 48 5.751 4.747 -14.382 292 H THR 49 H THR 49 3.103 4.794 -12.939 293 HA THR 49 HA THR 49 1.696 2.741 -14.617 294 HB THR 49 HB THR 49 1.784 1.676 -12.137 295 HG1 THR 49 HG1 THR 49 3.320 2.515 -10.954 296 1HG2 THR 49 1HG2 THR 49 2.703 0.651 -14.173 297 2HG2 THR 49 2HG2 THR 49 3.861 0.534 -12.848 298 3HG2 THR 49 3HG2 THR 49 4.085 1.745 -14.109 299 H ALA 50 H ALA 50 0.624 5.431 -13.921 300 HA ALA 50 HA ALA 50 -1.439 4.884 -11.867 301 1HB ALA 50 1HB ALA 50 -1.116 7.322 -13.620 302 2HB ALA 50 2HB ALA 50 -0.074 7.040 -12.226 303 3HB ALA 50 3HB ALA 50 -1.813 7.230 -12.002 304 H THR 51 H THR 51 -3.082 3.579 -12.688 305 HA THR 51 HA THR 51 -4.392 4.487 -15.214 306 HB THR 51 HB THR 51 -2.952 2.445 -15.467 307 HG1 THR 51 HG1 THR 51 -5.627 1.632 -15.662 308 1HG2 THR 51 1HG2 THR 51 -4.067 1.792 -12.995 309 2HG2 THR 51 2HG2 THR 51 -3.067 0.742 -14.001 310 3HG2 THR 51 3HG2 THR 51 -4.825 0.671 -14.126 311 H SER 52 H SER 52 -6.666 3.166 -15.286 312 HA SER 52 HA SER 52 -7.848 3.064 -12.551 313 1HB SER 52 2HB SER 52 -9.525 4.671 -13.149 314 2HB SER 52 1HB SER 52 -7.979 5.370 -13.621 315 HG SER 52 HG SER 52 -10.090 4.867 -15.140 316 H PHE 53 H PHE 53 -9.666 1.698 -12.417 317 HA PHE 53 HA PHE 53 -10.573 0.357 -14.935 318 1HB PHE 53 2HB PHE 53 -10.474 -1.787 -13.609 319 2HB PHE 53 1HB PHE 53 -8.895 -1.061 -13.903 320 HD1 PHE 53 HD1 PHE 53 -7.845 0.371 -12.081 321 HD2 PHE 53 HD2 PHE 53 -11.281 -2.115 -11.403 322 HE1 PHE 53 HE1 PHE 53 -7.433 0.467 -9.638 323 HE2 PHE 53 HE2 PHE 53 -10.870 -2.019 -8.960 324 HZ PHE 53 HZ PHE 53 -8.944 -0.728 -8.077 325 H THR 54 H THR 54 -12.549 -1.198 -14.090 326 HA THR 54 HA THR 54 -14.155 0.252 -12.058 327 HB THR 54 HB THR 54 -14.988 -0.279 -14.927 328 HG1 THR 54 HG1 THR 54 -14.547 2.152 -13.539 329 1HG2 THR 54 1HG2 THR 54 -16.951 -0.463 -13.623 330 2HG2 THR 54 2HG2 THR 54 -16.947 1.214 -14.170 331 3HG2 THR 54 3HG2 THR 54 -16.442 0.821 -12.526 332 H THR 55 H THR 55 -15.925 -1.049 -11.223 333 HA THR 55 HA THR 55 -15.375 -3.896 -11.173 334 HB THR 55 HB THR 55 -17.721 -3.765 -9.990 335 HG1 THR 55 HG1 THR 55 -17.970 -1.514 -9.281 336 1HG2 THR 55 1HG2 THR 55 -16.654 -2.953 -7.974 337 2HG2 THR 55 2HG2 THR 55 -15.404 -2.145 -8.919 338 3HG2 THR 55 3HG2 THR 55 -15.483 -3.907 -8.884 339 H ASP 56 H ASP 56 -18.058 -4.955 -11.333 340 HA ASP 56 HA ASP 56 -19.097 -4.331 -14.028 341 1HB ASP 56 2HB ASP 56 -17.361 -6.690 -13.349 342 2HB ASP 56 1HB ASP 56 -18.601 -6.869 -14.585 343 H ALA 57 H ALA 57 -20.388 -6.916 -14.364 344 HA ALA 57 HA ALA 57 -22.711 -6.602 -12.770 345 1HB ALA 57 1HB ALA 57 -23.300 -8.801 -13.706 346 2HB ALA 57 2HB ALA 57 -21.611 -9.075 -14.132 347 3HB ALA 57 3HB ALA 57 -22.530 -7.807 -14.942 348 H SER 58 H SER 58 -20.045 -8.939 -12.465 349 HA SER 58 HA SER 58 -21.059 -9.970 -9.926 350 1HB SER 58 2HB SER 58 -19.596 -11.039 -11.848 351 2HB SER 58 1HB SER 58 -18.255 -10.318 -10.963 352 HG SER 58 HG SER 58 -18.720 -11.565 -9.236 353 H GLY 59 H GLY 59 -19.761 -7.061 -10.669 354 1HA GLY 59 2HA GLY 59 -18.622 -5.404 -9.473 355 2HA GLY 59 1HA GLY 59 -19.160 -6.264 -8.028 356 H ALA 60 H ALA 60 -17.035 -7.532 -10.564 357 HA ALA 60 HA ALA 60 -14.846 -7.632 -8.523 358 1HB ALA 60 1HB ALA 60 -14.986 -9.874 -8.718 359 2HB ALA 60 2HB ALA 60 -14.586 -9.728 -10.430 360 3HB ALA 60 3HB ALA 60 -16.272 -9.700 -9.913 361 H ALA 61 H ALA 61 -13.012 -6.608 -9.200 362 HA ALA 61 HA ALA 61 -12.774 -5.874 -12.078 363 1HB ALA 61 1HB ALA 61 -10.899 -4.852 -10.012 364 2HB ALA 61 2HB ALA 61 -12.595 -4.411 -9.803 365 3HB ALA 61 3HB ALA 61 -11.746 -3.978 -11.287 366 H SER 62 H SER 62 -12.053 -8.132 -12.607 367 HA SER 62 HA SER 62 -9.321 -8.818 -11.623 368 1HB SER 62 2HB SER 62 -11.496 -10.301 -13.112 369 2HB SER 62 1HB SER 62 -9.905 -10.993 -12.816 370 HG SER 62 HG SER 62 -10.845 -11.582 -11.011 371 H PHE 63 H PHE 63 -7.651 -8.168 -12.909 372 HA PHE 63 HA PHE 63 -7.874 -8.449 -15.849 373 1HB PHE 63 2HB PHE 63 -7.195 -6.009 -16.095 374 2HB PHE 63 1HB PHE 63 -8.840 -6.275 -15.519 375 HD1 PHE 63 HD1 PHE 63 -5.350 -5.831 -14.211 376 HD2 PHE 63 HD2 PHE 63 -9.551 -5.190 -13.580 377 HE1 PHE 63 HE1 PHE 63 -4.843 -4.537 -12.157 378 HE2 PHE 63 HE2 PHE 63 -9.045 -3.897 -11.525 379 HZ PHE 63 HZ PHE 63 -6.691 -3.570 -10.813 380 H SER 64 H SER 64 -5.712 -7.652 -16.861 381 HA SER 64 HA SER 64 -3.493 -8.715 -15.184 382 1HB SER 64 2HB SER 64 -3.955 -8.234 -18.130 383 2HB SER 64 1HB SER 64 -2.370 -8.678 -17.498 384 HG SER 64 HG SER 64 -3.486 -10.497 -16.501 385 H PHE 65 H PHE 65 -1.916 -7.381 -14.448 386 HA PHE 65 HA PHE 65 -1.699 -4.620 -15.585 387 1HB PHE 65 2HB PHE 65 -2.953 -4.679 -13.456 388 2HB PHE 65 1HB PHE 65 -1.628 -5.555 -12.693 389 HD1 PHE 65 HD1 PHE 65 -1.933 -2.517 -14.885 390 HD2 PHE 65 HD2 PHE 65 -0.337 -4.244 -11.291 391 HE1 PHE 65 HE1 PHE 65 -0.810 -0.372 -14.350 392 HE2 PHE 65 HE2 PHE 65 0.784 -2.101 -10.757 393 HZ PHE 65 HZ PHE 65 0.547 -0.169 -12.285 394 H VAL 66 H VAL 66 0.545 -3.670 -14.599 395 HA VAL 66 HA VAL 66 2.584 -5.865 -14.713 396 HB VAL 66 HB VAL 66 2.968 -3.107 -15.857 397 1HG1 VAL 66 1HG1 VAL 66 4.541 -4.426 -17.331 398 2HG1 VAL 66 2HG1 VAL 66 4.205 -5.828 -16.315 399 3HG1 VAL 66 3HG1 VAL 66 4.979 -4.403 -15.622 400 1HG2 VAL 66 1HG2 VAL 66 1.148 -3.693 -17.178 401 2HG2 VAL 66 2HG2 VAL 66 1.431 -5.422 -16.978 402 3HG2 VAL 66 3HG2 VAL 66 2.440 -4.486 -18.079 403 H VAL 67 H VAL 67 4.566 -5.387 -13.564 404 HA VAL 67 HA VAL 67 4.313 -3.164 -11.558 405 HB VAL 67 HB VAL 67 5.413 -4.764 -9.987 406 1HG1 VAL 67 1HG1 VAL 67 3.036 -4.669 -9.855 407 2HG1 VAL 67 2HG1 VAL 67 3.432 -6.386 -9.913 408 3HG1 VAL 67 3HG1 VAL 67 2.845 -5.567 -11.360 409 1HG2 VAL 67 1HG2 VAL 67 4.857 -7.175 -11.463 410 2HG2 VAL 67 2HG2 VAL 67 6.389 -6.636 -10.778 411 3HG2 VAL 67 3HG2 VAL 67 5.937 -6.152 -12.411 412 H ARG 68 H ARG 68 6.404 -2.332 -10.782 413 HA ARG 68 HA ARG 68 8.712 -2.921 -12.606 414 1HB ARG 68 2HB ARG 68 7.280 -0.374 -11.938 415 2HB ARG 68 1HB ARG 68 9.020 -0.299 -12.216 416 1HG ARG 68 2HG ARG 68 7.132 -1.666 -14.144 417 2HG ARG 68 1HG ARG 68 7.545 0.044 -14.277 418 1HD ARG 68 2HD ARG 68 9.971 -0.584 -14.369 419 2HD ARG 68 1HD ARG 68 9.485 -2.292 -14.384 420 HE ARG 68 HE ARG 68 8.900 -1.999 -16.646 421 1HH1 ARG 68 1HH1 ARG 68 10.407 0.727 -16.371 422 2HH1 ARG 68 2HH1 ARG 68 9.249 1.778 -17.116 423 1HH2 ARG 68 1HH2 ARG 68 6.671 -0.537 -16.989 424 2HH2 ARG 68 2HH2 ARG 68 7.133 1.063 -17.465 425 H LYS 69 H LYS 69 10.614 -3.228 -11.472 426 HA LYS 69 HA LYS 69 10.605 -3.204 -8.570 427 1HB LYS 69 2HB LYS 69 11.878 -4.731 -10.150 428 2HB LYS 69 1HB LYS 69 12.952 -3.372 -10.479 429 1HG LYS 69 2HG LYS 69 13.475 -3.212 -8.060 430 2HG LYS 69 1HG LYS 69 12.435 -4.604 -7.757 431 1HD LYS 69 2HD LYS 69 14.335 -5.820 -8.034 432 2HD LYS 69 1HD LYS 69 14.056 -5.557 -9.755 433 1HE LYS 69 2HE LYS 69 15.893 -4.237 -9.927 434 2HE LYS 69 1HE LYS 69 15.401 -3.274 -8.519 435 1HZ LYS 69 1HZ LYS 69 16.353 -4.767 -7.050 436 2HZ LYS 69 2HZ LYS 69 17.485 -4.747 -8.317 437 3HZ LYS 69 3HZ LYS 69 16.382 -6.032 -8.178 438 H SER 70 H SER 70 11.103 -0.760 -10.901 439 HA SER 70 HA SER 70 12.112 1.073 -8.792 440 1HB SER 70 2HB SER 70 13.962 1.783 -10.279 441 2HB SER 70 1HB SER 70 14.089 0.074 -9.875 442 HG SER 70 HG SER 70 14.121 -0.173 -11.964 443 H TYR 71 H TYR 71 11.304 3.154 -9.082 444 HA TYR 71 HA TYR 71 10.472 4.172 -11.683 445 1HB TYR 71 2HB TYR 71 8.102 4.040 -11.357 446 2HB TYR 71 1HB TYR 71 8.728 2.439 -10.966 447 HD1 TYR 71 HD1 TYR 71 8.388 1.495 -8.826 448 HD2 TYR 71 HD2 TYR 71 7.728 5.696 -9.432 449 HE1 TYR 71 HE1 TYR 71 7.420 1.671 -6.549 450 HE2 TYR 71 HE2 TYR 71 6.761 5.872 -7.155 451 HH TYR 71 HH TYR 71 5.614 4.266 -5.518 452 H THR 72 H THR 72 10.340 6.414 -11.573 453 HA THR 72 HA THR 72 11.168 7.770 -9.166 454 HB THR 72 HB THR 72 9.769 9.179 -11.401 455 HG1 THR 72 HG1 THR 72 11.035 8.405 -12.875 456 1HG2 THR 72 1HG2 THR 72 12.415 9.546 -9.972 457 2HG2 THR 72 2HG2 THR 72 10.934 10.454 -9.668 458 3HG2 THR 72 3HG2 THR 72 11.776 10.629 -11.208 459 H GLY 73 H GLY 73 9.913 8.756 -7.588 460 1HA GLY 73 2HA GLY 73 6.949 8.708 -8.005 461 2HA GLY 73 1HA GLY 73 7.692 8.335 -6.448 462 H SER 74 H SER 74 6.212 10.170 -5.769 463 HA SER 74 HA SER 74 7.782 12.659 -5.663 464 1HB SER 74 2HB SER 74 5.814 13.951 -6.594 465 2HB SER 74 1HB SER 74 6.627 12.923 -7.771 466 HG SER 74 HG SER 74 5.000 11.315 -7.218 467 H THR 75 H THR 75 6.148 14.369 -4.487 468 HA THR 75 HA THR 75 5.495 13.152 -1.925 469 HB THR 75 HB THR 75 4.587 15.627 -1.668 470 HG1 THR 75 HG1 THR 75 4.816 16.784 -3.385 471 1HG2 THR 75 1HG2 THR 75 7.474 15.724 -2.223 472 2HG2 THR 75 2HG2 THR 75 6.986 14.381 -1.191 473 3HG2 THR 75 3HG2 THR 75 6.606 16.038 -0.722 474 HA PRO 76 HA PRO 76 1.201 12.514 -2.542 475 1HB PRO 76 2HB PRO 76 0.157 13.150 -0.105 476 2HB PRO 76 1HB PRO 76 1.137 11.699 -0.389 477 1HG PRO 76 2HG PRO 76 1.875 14.244 0.929 478 2HG PRO 76 1HG PRO 76 2.471 12.604 1.220 479 1HD PRO 76 2HD PRO 76 3.801 14.596 -0.224 480 2HD PRO 76 1HD PRO 76 4.183 12.861 -0.244 481 H GLU 77 H GLU 77 2.338 15.513 -2.714 482 HA GLU 77 HA GLU 77 -0.363 16.782 -2.685 483 1HB GLU 77 2HB GLU 77 0.651 18.759 -1.844 484 2HB GLU 77 1HB GLU 77 1.424 17.453 -0.945 485 1HG GLU 77 2HG GLU 77 3.335 17.493 -2.490 486 2HG GLU 77 1HG GLU 77 2.559 18.764 -3.435 487 H GLY 78 H GLY 78 2.824 16.732 -4.251 488 1HA GLY 78 2HA GLY 78 2.368 16.598 -6.855 489 2HA GLY 78 1HA GLY 78 1.698 18.205 -6.572 490 H THR 79 H THR 79 4.622 16.535 -5.365 491 HA THR 79 HA THR 79 6.328 18.565 -6.696 492 HB THR 79 HB THR 79 6.046 18.164 -3.706 493 HG1 THR 79 HG1 THR 79 4.976 19.950 -3.838 494 1HG2 THR 79 1HG2 THR 79 8.362 18.391 -3.946 495 2HG2 THR 79 2HG2 THR 79 7.839 20.064 -3.746 496 3HG2 THR 79 3HG2 THR 79 8.209 19.441 -5.355 497 HA PRO 80 HA PRO 80 8.477 14.620 -6.830 498 1HB PRO 80 2HB PRO 80 10.304 15.389 -8.714 499 2HB PRO 80 1HB PRO 80 8.647 14.894 -9.115 500 1HG PRO 80 2HG PRO 80 9.804 17.629 -8.905 501 2HG PRO 80 1HG PRO 80 8.614 16.990 -10.050 502 1HD PRO 80 2HD PRO 80 7.960 18.537 -7.888 503 2HD PRO 80 1HD PRO 80 6.857 17.355 -8.629 504 H VAL 81 H VAL 81 10.416 13.946 -5.833 505 HA VAL 81 HA VAL 81 12.358 16.061 -5.007 506 HB VAL 81 HB VAL 81 10.769 15.753 -3.188 507 1HG1 VAL 81 1HG1 VAL 81 10.477 13.491 -2.179 508 2HG1 VAL 81 2HG1 VAL 81 11.442 12.809 -3.488 509 3HG1 VAL 81 3HG1 VAL 81 9.888 13.566 -3.840 510 1HG2 VAL 81 1HG2 VAL 81 13.302 14.191 -2.589 511 2HG2 VAL 81 2HG2 VAL 81 12.303 15.058 -1.424 512 3HG2 VAL 81 3HG2 VAL 81 13.211 15.951 -2.644 513 H GLY 82 H GLY 82 11.646 12.607 -5.379 514 1HA GLY 82 2HA GLY 82 14.349 12.105 -6.346 515 2HA GLY 82 1HA GLY 82 14.048 11.397 -4.759 516 H SER 83 H SER 83 14.496 9.404 -6.226 517 HA SER 83 HA SER 83 12.016 8.542 -7.657 518 1HB SER 83 2HB SER 83 14.576 7.013 -7.682 519 2HB SER 83 1HB SER 83 13.435 7.298 -8.992 520 HG SER 83 HG SER 83 15.613 8.487 -8.835 521 H VAL 84 H VAL 84 11.728 6.029 -7.425 522 HA VAL 84 HA VAL 84 12.082 5.277 -4.542 523 HB VAL 84 HB VAL 84 9.758 4.880 -6.447 524 1HG1 VAL 84 1HG1 VAL 84 9.747 2.908 -5.170 525 2HG1 VAL 84 2HG1 VAL 84 8.707 3.981 -4.233 526 3HG1 VAL 84 3HG1 VAL 84 10.378 3.719 -3.738 527 1HG2 VAL 84 1HG2 VAL 84 10.339 7.093 -5.036 528 2HG2 VAL 84 2HG2 VAL 84 9.529 6.174 -3.767 529 3HG2 VAL 84 3HG2 VAL 84 8.681 6.543 -5.269 530 H ASP 85 H ASP 85 12.202 2.930 -4.182 531 HA ASP 85 HA ASP 85 12.618 1.197 -6.539 532 1HB ASP 85 2HB ASP 85 14.722 2.649 -5.596 533 2HB ASP 85 1HB ASP 85 14.864 1.198 -4.603 534 H CYS 86 H CYS 86 12.396 -1.010 -5.986 535 HA CYS 86 HA CYS 86 11.428 -1.525 -3.209 536 1HB CYS 86 2HB CYS 86 10.394 -2.063 -5.684 537 2HB CYS 86 1HB CYS 86 11.220 -3.581 -5.330 538 H ALA 87 H ALA 87 14.354 -1.484 -4.393 539 HA ALA 87 HA ALA 87 15.309 -4.217 -4.164 540 1HB ALA 87 1HB ALA 87 16.220 -1.875 -5.204 541 2HB ALA 87 2HB ALA 87 17.266 -3.253 -4.860 542 3HB ALA 87 3HB ALA 87 17.140 -1.931 -3.700 543 H THR 88 H THR 88 15.320 -1.397 -1.959 544 HA THR 88 HA THR 88 16.114 -3.266 0.251 545 HB THR 88 HB THR 88 17.767 -1.522 -0.368 546 HG1 THR 88 HG1 THR 88 17.442 -2.182 1.842 547 1HG2 THR 88 1HG2 THR 88 17.095 0.548 -0.914 548 2HG2 THR 88 2HG2 THR 88 16.394 0.766 0.690 549 3HG2 THR 88 3HG2 THR 88 15.427 0.065 -0.607 550 H ALA 89 H ALA 89 13.701 -1.101 -0.925 551 HA ALA 89 HA ALA 89 12.400 -0.986 1.759 552 1HB ALA 89 1HB ALA 89 11.239 0.655 -0.342 553 2HB ALA 89 2HB ALA 89 12.973 0.941 -0.195 554 3HB ALA 89 3HB ALA 89 11.922 1.156 1.204 555 H ALA 90 H ALA 90 10.220 -1.701 1.939 556 HA ALA 90 HA ALA 90 9.375 -3.699 -0.029 557 1HB ALA 90 1HB ALA 90 8.152 -4.441 1.742 558 2HB ALA 90 2HB ALA 90 7.498 -2.837 2.071 559 3HB ALA 90 3HB ALA 90 9.094 -3.280 2.677 560 H CYS 91 H CYS 91 7.351 -3.596 -1.208 561 HA CYS 91 HA CYS 91 6.339 -0.803 -1.615 562 1HB CYS 91 2HB CYS 91 6.614 -3.110 -3.564 563 2HB CYS 91 1HB CYS 91 5.996 -1.504 -3.960 564 H ASN 92 H ASN 92 4.051 -0.724 -2.340 565 HA ASN 92 HA ASN 92 2.438 -3.136 -1.687 566 1HB ASN 92 2HB ASN 92 1.968 -0.400 -0.468 567 2HB ASN 92 1HB ASN 92 1.153 -1.907 -0.050 568 1HD2 ASN 92 1HD2 ASN 92 2.256 -3.396 1.354 569 2HD2 ASN 92 2HD2 ASN 92 3.734 -3.022 2.101 570 H LEU 93 H LEU 93 1.025 -3.352 -3.375 571 HA LEU 93 HA LEU 93 0.411 -1.049 -5.117 572 1HB LEU 93 2HB LEU 93 0.926 -3.204 -6.106 573 2HB LEU 93 1HB LEU 93 -0.290 -4.002 -5.106 574 HG LEU 93 HG LEU 93 -2.037 -2.572 -6.207 575 1HD1 LEU 93 1HD1 LEU 93 0.120 -1.078 -7.033 576 2HD1 LEU 93 2HD1 LEU 93 -1.498 -0.973 -7.725 577 3HD1 LEU 93 3HD1 LEU 93 -0.275 -1.985 -8.492 578 1HD2 LEU 93 1HD2 LEU 93 -1.960 -3.815 -8.381 579 2HD2 LEU 93 2HD2 LEU 93 -1.676 -4.857 -6.986 580 3HD2 LEU 93 3HD2 LEU 93 -0.321 -4.334 -7.987 581 H GLY 94 H GLY 94 -1.214 0.302 -4.382 582 1HA GLY 94 2HA GLY 94 -3.599 -1.034 -3.146 583 2HA GLY 94 1HA GLY 94 -3.009 0.536 -2.601 584 H ALA 95 H ALA 95 -5.643 0.184 -3.451 585 HA ALA 95 HA ALA 95 -5.631 1.814 -5.972 586 1HB ALA 95 1HB ALA 95 -6.632 0.046 -6.948 587 2HB ALA 95 2HB ALA 95 -8.008 0.315 -5.878 588 3HB ALA 95 3HB ALA 95 -6.729 -0.803 -5.407 589 H GLY 96 H GLY 96 -7.526 3.225 -6.175 590 1HA GLY 96 2HA GLY 96 -9.613 3.570 -4.347 591 2HA GLY 96 1HA GLY 96 -8.262 4.493 -3.683 592 H ASN 97 H ASN 97 -10.688 5.712 -4.644 593 HA ASN 97 HA ASN 97 -9.516 7.376 -6.806 594 1HB ASN 97 2HB ASN 97 -11.590 7.186 -8.093 595 2HB ASN 97 1HB ASN 97 -10.921 5.581 -7.791 596 1HD2 ASN 97 1HD2 ASN 97 -11.824 4.542 -5.640 597 2HD2 ASN 97 2HD2 ASN 97 -13.483 4.758 -5.355 598 H SER 98 H SER 98 -12.185 7.015 -4.459 599 HA SER 98 HA SER 98 -11.948 9.898 -3.843 600 1HB SER 98 2HB SER 98 -13.746 8.960 -5.730 601 2HB SER 98 1HB SER 98 -14.727 9.094 -4.275 602 HG SER 98 HG SER 98 -14.292 11.030 -5.776 603 H GLY 99 H GLY 99 -11.217 8.750 -1.802 604 1HA GLY 99 2HA GLY 99 -11.645 8.162 0.427 605 2HA GLY 99 1HA GLY 99 -13.283 8.763 0.176 606 H LEU 100 H LEU 100 -12.516 6.383 -2.107 607 HA LEU 100 HA LEU 100 -14.178 4.426 -0.602 608 1HB LEU 100 2HB LEU 100 -14.396 5.380 -3.106 609 2HB LEU 100 1HB LEU 100 -13.328 4.012 -3.427 610 HG LEU 100 HG LEU 100 -15.841 3.711 -1.783 611 1HD1 LEU 100 1HD1 LEU 100 -16.586 4.569 -3.916 612 2HD1 LEU 100 2HD1 LEU 100 -16.881 2.829 -3.896 613 3HD1 LEU 100 3HD1 LEU 100 -15.502 3.480 -4.782 614 1HD2 LEU 100 1HD2 LEU 100 -15.378 1.367 -3.109 615 2HD2 LEU 100 2HD2 LEU 100 -14.764 1.720 -1.493 616 3HD2 LEU 100 3HD2 LEU 100 -13.732 1.965 -2.902 617 H ASP 101 H ASP 101 -11.222 4.494 -2.593 618 HA ASP 101 HA ASP 101 -9.325 3.098 -2.559 619 1HB ASP 101 2HB ASP 101 -10.294 2.943 0.306 620 2HB ASP 101 1HB ASP 101 -8.686 2.470 -0.238 621 H LEU 102 H LEU 102 -8.666 0.781 -2.249 622 HA LEU 102 HA LEU 102 -11.033 -1.052 -2.133 623 1HB LEU 102 2HB LEU 102 -8.629 -0.998 -3.972 624 2HB LEU 102 1HB LEU 102 -9.763 -2.345 -3.898 625 HG LEU 102 HG LEU 102 -10.380 0.517 -4.666 626 1HD1 LEU 102 1HD1 LEU 102 -10.625 -0.268 -6.825 627 2HD1 LEU 102 2HD1 LEU 102 -11.064 -1.892 -6.297 628 3HD1 LEU 102 3HD1 LEU 102 -9.378 -1.376 -6.255 629 1HD2 LEU 102 1HD2 LEU 102 -12.710 -0.529 -5.072 630 2HD2 LEU 102 2HD2 LEU 102 -12.266 -0.173 -3.405 631 3HD2 LEU 102 3HD2 LEU 102 -12.169 -1.826 -4.005 632 H GLY 103 H GLY 103 -7.482 -0.885 -1.888 633 1HA GLY 103 2HA GLY 103 -7.198 -2.030 0.629 634 2HA GLY 103 1HA GLY 103 -7.280 -3.401 -0.477 635 H HIS 104 H HIS 104 -4.983 -3.215 0.834 636 HA HIS 104 HA HIS 104 -3.046 -2.099 -1.166 637 1HB HIS 104 2HB HIS 104 -3.346 -1.782 1.775 638 2HB HIS 104 1HB HIS 104 -1.699 -2.018 1.194 639 HD1 HIS 104 HD1 HIS 104 -0.828 0.356 1.379 640 HD2 HIS 104 HD2 HIS 104 -4.413 0.138 -0.735 641 HE1 HIS 104 HE1 HIS 104 -1.219 2.655 0.386 642 H VAL 105 H VAL 105 -1.734 -3.727 -1.962 643 HA VAL 105 HA VAL 105 -1.571 -6.283 -0.415 644 HB VAL 105 HB VAL 105 -1.384 -5.516 -3.330 645 1HG1 VAL 105 1HG1 VAL 105 0.481 -7.050 -2.923 646 2HG1 VAL 105 2HG1 VAL 105 -0.800 -7.900 -3.787 647 3HG1 VAL 105 3HG1 VAL 105 -0.586 -8.153 -2.055 648 1HG2 VAL 105 1HG2 VAL 105 -3.381 -6.605 -3.521 649 2HG2 VAL 105 2HG2 VAL 105 -3.489 -6.298 -1.788 650 3HG2 VAL 105 3HG2 VAL 105 -2.918 -7.861 -2.371 651 H ALA 106 H ALA 106 0.346 -6.584 0.643 652 HA ALA 106 HA ALA 106 2.697 -4.953 0.056 653 1HB ALA 106 1HB ALA 106 1.976 -7.207 1.930 654 2HB ALA 106 2HB ALA 106 2.303 -5.520 2.324 655 3HB ALA 106 3HB ALA 106 3.623 -6.588 1.849 656 H LEU 107 H LEU 107 3.755 -5.460 -1.856 657 HA LEU 107 HA LEU 107 3.945 -8.265 -2.766 658 1HB LEU 107 2HB LEU 107 5.106 -5.709 -3.908 659 2HB LEU 107 1HB LEU 107 4.860 -7.232 -4.763 660 HG LEU 107 HG LEU 107 2.539 -5.838 -3.450 661 1HD1 LEU 107 1HD1 LEU 107 3.533 -4.135 -4.870 662 2HD1 LEU 107 2HD1 LEU 107 2.098 -4.772 -5.674 663 3HD1 LEU 107 3HD1 LEU 107 3.703 -5.287 -6.194 664 1HD2 LEU 107 1HD2 LEU 107 1.394 -6.993 -5.423 665 2HD2 LEU 107 2HD2 LEU 107 2.076 -8.065 -4.199 666 3HD2 LEU 107 3HD2 LEU 107 2.933 -7.803 -5.720 667 H THR 108 H THR 108 6.189 -8.958 -3.577 668 HA THR 108 HA THR 108 8.437 -7.933 -1.925 669 HB THR 108 HB THR 108 7.894 -10.883 -2.010 670 HG1 THR 108 HG1 THR 108 6.019 -10.414 -1.152 671 1HG2 THR 108 1HG2 THR 108 9.994 -9.913 -1.050 672 2HG2 THR 108 2HG2 THR 108 9.050 -10.830 0.125 673 3HG2 THR 108 3HG2 THR 108 9.007 -9.066 0.144 674 H PHE 109 H PHE 109 10.526 -8.727 -2.751 675 HA PHE 109 HA PHE 109 10.351 -9.757 -5.564 676 1HB PHE 109 2HB PHE 109 11.860 -7.541 -4.236 677 2HB PHE 109 1HB PHE 109 12.632 -8.373 -5.586 678 HD1 PHE 109 HD1 PHE 109 9.560 -6.523 -4.568 679 HD2 PHE 109 HD2 PHE 109 11.940 -7.991 -7.829 680 HE1 PHE 109 HE1 PHE 109 8.174 -5.224 -6.164 681 HE2 PHE 109 HE2 PHE 109 10.555 -6.691 -9.424 682 HZ PHE 109 HZ PHE 109 8.672 -5.309 -8.593 683 H GLY 110 H GLY 110 11.248 -11.781 -5.685 684 1HA GLY 110 2HA GLY 110 13.853 -12.318 -4.485 685 2HA GLY 110 1HA GLY 110 12.543 -13.219 -3.721 Start of MODEL 30 1 1H ALA 1 1H ALA 1 -18.489 -6.487 1.400 2 2H ALA 1 2H ALA 1 -18.658 -7.198 2.933 3 3H ALA 1 3H ALA 1 -18.784 -8.154 1.535 4 HA ALA 1 HA ALA 1 -16.336 -6.836 2.588 5 1HB ALA 1 1HB ALA 1 -17.051 -8.885 3.709 6 2HB ALA 1 2HB ALA 1 -15.648 -9.243 2.702 7 3HB ALA 1 3HB ALA 1 -17.263 -9.692 2.155 8 HA PRO 2 HA PRO 2 -15.673 -6.666 -1.871 9 1HB PRO 2 2HB PRO 2 -13.432 -5.107 -1.700 10 2HB PRO 2 1HB PRO 2 -15.078 -4.447 -1.615 11 1HG PRO 2 2HG PRO 2 -13.169 -5.059 0.596 12 2HG PRO 2 1HG PRO 2 -14.256 -3.674 0.396 13 1HD PRO 2 2HD PRO 2 -14.836 -5.756 2.032 14 2HD PRO 2 1HD PRO 2 -16.089 -4.825 1.181 15 H ALA 3 H ALA 3 -13.287 -6.866 -3.029 16 HA ALA 3 HA ALA 3 -11.555 -8.788 -1.595 17 1HB ALA 3 1HB ALA 3 -13.488 -10.061 -2.546 18 2HB ALA 3 2HB ALA 3 -11.946 -10.540 -3.257 19 3HB ALA 3 3HB ALA 3 -13.038 -9.481 -4.150 20 H PHE 4 H PHE 4 -9.511 -8.144 -2.120 21 HA PHE 4 HA PHE 4 -8.923 -7.343 -4.938 22 1HB PHE 4 2HB PHE 4 -9.393 -5.312 -3.613 23 2HB PHE 4 1HB PHE 4 -8.202 -5.815 -2.412 24 HD1 PHE 4 HD1 PHE 4 -8.563 -5.051 -6.057 25 HD2 PHE 4 HD2 PHE 4 -5.939 -5.207 -2.659 26 HE1 PHE 4 HE1 PHE 4 -6.768 -3.988 -7.396 27 HE2 PHE 4 HE2 PHE 4 -4.143 -4.142 -4.000 28 HZ PHE 4 HZ PHE 4 -4.557 -3.534 -6.368 29 H SER 5 H SER 5 -7.409 -8.915 -5.480 30 HA SER 5 HA SER 5 -5.005 -9.130 -3.744 31 1HB SER 5 2HB SER 5 -6.328 -10.833 -2.795 32 2HB SER 5 1HB SER 5 -7.013 -11.295 -4.349 33 HG SER 5 HG SER 5 -4.901 -12.307 -3.128 34 H VAL 6 H VAL 6 -3.227 -10.273 -4.850 35 HA VAL 6 HA VAL 6 -3.487 -10.170 -7.839 36 HB VAL 6 HB VAL 6 -2.004 -8.523 -6.533 37 1HG1 VAL 6 1HG1 VAL 6 0.059 -9.326 -5.623 38 2HG1 VAL 6 2HG1 VAL 6 -0.199 -10.940 -6.287 39 3HG1 VAL 6 3HG1 VAL 6 -1.207 -10.361 -4.959 40 1HG2 VAL 6 1HG2 VAL 6 -1.239 -8.412 -8.668 41 2HG2 VAL 6 2HG2 VAL 6 -1.363 -10.154 -8.891 42 3HG2 VAL 6 3HG2 VAL 6 0.064 -9.465 -8.122 43 H SER 7 H SER 7 -2.156 -11.827 -9.002 44 HA SER 7 HA SER 7 -2.468 -14.465 -7.950 45 1HB SER 7 2HB SER 7 -1.418 -13.118 -10.315 46 2HB SER 7 1HB SER 7 -0.514 -14.580 -9.932 47 HG SER 7 HG SER 7 -3.202 -14.242 -10.634 48 HA PRO 8 HA PRO 8 2.182 -14.640 -7.043 49 1HB PRO 8 2HB PRO 8 3.788 -12.517 -7.664 50 2HB PRO 8 1HB PRO 8 3.425 -13.826 -8.804 51 1HG PRO 8 2HG PRO 8 2.291 -11.083 -8.659 52 2HG PRO 8 1HG PRO 8 2.650 -12.086 -10.069 53 1HD PRO 8 2HD PRO 8 0.127 -11.723 -9.033 54 2HD PRO 8 1HD PRO 8 0.628 -13.117 -10.012 55 H ALA 9 H ALA 9 2.155 -11.087 -6.849 56 HA ALA 9 HA ALA 9 1.856 -9.635 -4.994 57 1HB ALA 9 1HB ALA 9 0.235 -11.739 -4.469 58 2HB ALA 9 2HB ALA 9 0.472 -10.414 -3.331 59 3HB ALA 9 3HB ALA 9 1.381 -11.912 -3.140 60 H SER 10 H SER 10 4.117 -12.028 -5.388 61 HA SER 10 HA SER 10 6.015 -10.716 -3.580 62 1HB SER 10 2HB SER 10 5.650 -13.612 -3.007 63 2HB SER 10 1HB SER 10 6.092 -12.306 -1.915 64 HG SER 10 HG SER 10 3.592 -13.233 -2.706 65 H GLY 11 H GLY 11 8.160 -11.223 -4.178 66 1HA GLY 11 2HA GLY 11 9.904 -12.180 -5.437 67 2HA GLY 11 1HA GLY 11 8.842 -13.554 -5.750 68 H LEU 12 H LEU 12 8.270 -10.133 -6.535 69 HA LEU 12 HA LEU 12 7.675 -10.915 -9.327 70 1HB LEU 12 2HB LEU 12 7.531 -8.241 -7.905 71 2HB LEU 12 1HB LEU 12 6.750 -8.662 -9.428 72 HG LEU 12 HG LEU 12 5.970 -10.655 -7.594 73 1HD1 LEU 12 1HD1 LEU 12 6.543 -9.371 -5.682 74 2HD1 LEU 12 2HD1 LEU 12 4.818 -9.084 -5.905 75 3HD1 LEU 12 3HD1 LEU 12 5.988 -7.870 -6.423 76 1HD2 LEU 12 1HD2 LEU 12 3.760 -9.802 -8.043 77 2HD2 LEU 12 2HD2 LEU 12 4.708 -9.582 -9.513 78 3HD2 LEU 12 3HD2 LEU 12 4.397 -8.209 -8.451 79 H SER 13 H SER 13 8.509 -9.222 -11.012 80 HA SER 13 HA SER 13 11.362 -8.553 -10.431 81 1HB SER 13 2HB SER 13 11.580 -10.391 -11.820 82 2HB SER 13 1HB SER 13 10.034 -10.103 -12.611 83 HG SER 13 HG SER 13 12.558 -9.033 -13.121 84 H ASP 14 H ASP 14 12.136 -6.643 -11.484 85 HA ASP 14 HA ASP 14 10.332 -4.489 -11.815 86 1HB ASP 14 2HB ASP 14 12.304 -3.376 -12.802 87 2HB ASP 14 1HB ASP 14 12.770 -4.340 -11.400 88 H GLY 15 H GLY 15 8.678 -4.592 -13.322 89 1HA GLY 15 2HA GLY 15 8.143 -4.087 -15.673 90 2HA GLY 15 1HA GLY 15 9.473 -5.143 -16.136 91 H GLN 16 H GLN 16 8.825 -7.254 -14.246 92 HA GLN 16 HA GLN 16 7.244 -8.981 -15.738 93 1HB GLN 16 2HB GLN 16 8.620 -9.405 -13.649 94 2HB GLN 16 1HB GLN 16 7.249 -8.808 -12.714 95 1HG GLN 16 2HG GLN 16 6.001 -10.597 -14.352 96 2HG GLN 16 1HG GLN 16 7.573 -11.372 -14.152 97 1HE2 GLN 16 1HE2 GLN 16 4.709 -10.224 -12.379 98 2HE2 GLN 16 2HE2 GLN 16 5.046 -11.074 -10.949 99 H SER 17 H SER 17 4.999 -9.593 -15.657 100 HA SER 17 HA SER 17 3.184 -7.365 -14.844 101 1HB SER 17 2HB SER 17 1.880 -8.036 -16.645 102 2HB SER 17 1HB SER 17 3.467 -8.547 -17.211 103 HG SER 17 HG SER 17 2.001 -10.249 -17.404 104 H VAL 18 H VAL 18 1.223 -7.892 -13.681 105 HA VAL 18 HA VAL 18 1.248 -10.545 -12.300 106 HB VAL 18 HB VAL 18 0.478 -9.217 -10.294 107 1HG1 VAL 18 1HG1 VAL 18 2.931 -9.842 -10.929 108 2HG1 VAL 18 2HG1 VAL 18 2.668 -8.648 -9.658 109 3HG1 VAL 18 3HG1 VAL 18 3.106 -8.123 -11.284 110 1HG2 VAL 18 1HG2 VAL 18 0.280 -6.917 -10.355 111 2HG2 VAL 18 2HG2 VAL 18 -0.083 -7.241 -12.050 112 3HG2 VAL 18 3HG2 VAL 18 1.539 -6.738 -11.577 113 H SER 19 H SER 19 -0.860 -11.374 -11.807 114 HA SER 19 HA SER 19 -3.033 -10.219 -13.475 115 1HB SER 19 2HB SER 19 -3.077 -12.766 -11.864 116 2HB SER 19 1HB SER 19 -3.975 -12.391 -13.331 117 HG SER 19 HG SER 19 -1.915 -13.748 -13.394 118 H VAL 20 H VAL 20 -4.336 -8.756 -12.435 119 HA VAL 20 HA VAL 20 -4.715 -9.005 -9.492 120 HB VAL 20 HB VAL 20 -5.116 -6.822 -11.547 121 1HG1 VAL 20 1HG1 VAL 20 -6.737 -7.150 -9.307 122 2HG1 VAL 20 2HG1 VAL 20 -6.451 -5.634 -10.151 123 3HG1 VAL 20 3HG1 VAL 20 -5.480 -6.054 -8.743 124 1HG2 VAL 20 1HG2 VAL 20 -3.010 -6.356 -10.919 125 2HG2 VAL 20 2HG2 VAL 20 -3.053 -7.624 -9.695 126 3HG2 VAL 20 3HG2 VAL 20 -3.621 -6.001 -9.304 127 H SER 21 H SER 21 -6.792 -9.149 -8.614 128 HA SER 21 HA SER 21 -9.097 -9.373 -10.487 129 1HB SER 21 2HB SER 21 -8.461 -11.618 -10.426 130 2HB SER 21 1HB SER 21 -7.861 -11.510 -8.775 131 HG SER 21 HG SER 21 -10.104 -12.487 -9.420 132 H VAL 22 H VAL 22 -10.997 -8.661 -9.549 133 HA VAL 22 HA VAL 22 -10.978 -8.131 -6.600 134 HB VAL 22 HB VAL 22 -12.092 -6.426 -8.849 135 1HG1 VAL 22 1HG1 VAL 22 -13.258 -6.320 -6.599 136 2HG1 VAL 22 2HG1 VAL 22 -12.571 -4.792 -7.150 137 3HG1 VAL 22 3HG1 VAL 22 -11.736 -5.741 -5.921 138 1HG2 VAL 22 1HG2 VAL 22 -10.231 -4.859 -8.052 139 2HG2 VAL 22 2HG2 VAL 22 -9.704 -6.286 -8.942 140 3HG2 VAL 22 3HG2 VAL 22 -9.569 -6.244 -7.184 141 H SER 23 H SER 23 -13.108 -8.279 -5.586 142 HA SER 23 HA SER 23 -15.457 -9.022 -7.169 143 1HB SER 23 2HB SER 23 -14.200 -11.114 -5.387 144 2HB SER 23 1HB SER 23 -15.548 -11.329 -6.496 145 HG SER 23 HG SER 23 -13.507 -12.065 -7.324 146 H GLY 24 H GLY 24 -17.102 -8.073 -5.997 147 1HA GLY 24 2HA GLY 24 -18.253 -8.575 -3.685 148 2HA GLY 24 1HA GLY 24 -16.776 -7.856 -3.044 149 H ALA 25 H ALA 25 -16.277 -5.653 -4.361 150 HA ALA 25 HA ALA 25 -17.915 -3.622 -3.522 151 1HB ALA 25 1HB ALA 25 -16.088 -2.757 -4.558 152 2HB ALA 25 2HB ALA 25 -17.123 -2.711 -5.981 153 3HB ALA 25 3HB ALA 25 -16.028 -4.069 -5.734 154 H ALA 26 H ALA 26 -18.298 -5.290 -6.658 155 HA ALA 26 HA ALA 26 -20.276 -5.659 -7.923 156 1HB ALA 26 1HB ALA 26 -21.886 -4.146 -5.904 157 2HB ALA 26 2HB ALA 26 -21.131 -5.656 -5.394 158 3HB ALA 26 3HB ALA 26 -22.272 -5.652 -6.737 159 H ALA 27 H ALA 27 -21.201 -4.511 -9.555 160 HA ALA 27 HA ALA 27 -20.298 -2.103 -10.477 161 1HB ALA 27 1HB ALA 27 -23.098 -2.212 -11.018 162 2HB ALA 27 2HB ALA 27 -22.504 -3.869 -10.916 163 3HB ALA 27 3HB ALA 27 -21.772 -2.739 -12.054 164 H GLY 28 H GLY 28 -20.574 0.032 -9.992 165 1HA GLY 28 2HA GLY 28 -22.254 1.764 -9.219 166 2HA GLY 28 1HA GLY 28 -22.517 0.700 -7.841 167 H GLU 29 H GLU 29 -19.251 0.716 -8.860 168 HA GLU 29 HA GLU 29 -18.493 3.026 -7.187 169 1HB GLU 29 2HB GLU 29 -18.923 0.528 -6.049 170 2HB GLU 29 1HB GLU 29 -17.175 0.582 -6.275 171 1HG GLU 29 2HG GLU 29 -17.036 1.869 -4.429 172 2HG GLU 29 1HG GLU 29 -17.893 3.133 -5.313 173 H THR 30 H THR 30 -16.723 3.920 -8.138 174 HA THR 30 HA THR 30 -15.161 2.343 -10.111 175 HB THR 30 HB THR 30 -14.777 5.249 -9.429 176 HG1 THR 30 HG1 THR 30 -16.534 5.475 -11.093 177 1HG2 THR 30 1HG2 THR 30 -13.969 3.453 -11.498 178 2HG2 THR 30 2HG2 THR 30 -13.569 5.159 -11.319 179 3HG2 THR 30 3HG2 THR 30 -15.012 4.681 -12.211 180 H TYR 31 H TYR 31 -12.935 1.916 -9.819 181 HA TYR 31 HA TYR 31 -11.688 2.876 -7.276 182 1HB TYR 31 2HB TYR 31 -11.699 0.091 -8.465 183 2HB TYR 31 1HB TYR 31 -10.793 0.566 -7.032 184 HD1 TYR 31 HD1 TYR 31 -13.410 -1.332 -7.719 185 HD2 TYR 31 HD2 TYR 31 -12.650 2.354 -5.653 186 HE1 TYR 31 HE1 TYR 31 -15.421 -1.701 -6.315 187 HE2 TYR 31 HE2 TYR 31 -14.660 1.984 -4.249 188 HH TYR 31 HH TYR 31 -16.040 -0.678 -3.689 189 H TYR 32 H TYR 32 -9.458 3.268 -7.407 190 HA TYR 32 HA TYR 32 -8.244 3.095 -10.146 191 1HB TYR 32 2HB TYR 32 -7.773 4.967 -7.799 192 2HB TYR 32 1HB TYR 32 -6.890 5.034 -9.323 193 HD1 TYR 32 HD1 TYR 32 -8.152 5.482 -11.468 194 HD2 TYR 32 HD2 TYR 32 -9.944 5.918 -7.588 195 HE1 TYR 32 HE1 TYR 32 -9.960 6.862 -12.456 196 HE2 TYR 32 HE2 TYR 32 -11.753 7.296 -8.578 197 HH TYR 32 HH TYR 32 -11.760 8.858 -10.990 198 H ILE 33 H ILE 33 -6.558 1.626 -10.271 199 HA ILE 33 HA ILE 33 -5.413 0.608 -7.716 200 HB ILE 33 HB ILE 33 -6.281 -1.001 -9.348 201 1HG1 ILE 33 2HG1 ILE 33 -3.273 -1.163 -9.526 202 2HG1 ILE 33 1HG1 ILE 33 -4.113 -1.400 -7.994 203 1HG2 ILE 33 1HG2 ILE 33 -4.264 0.255 -11.226 204 2HG2 ILE 33 2HG2 ILE 33 -6.016 0.288 -11.400 205 3HG2 ILE 33 3HG2 ILE 33 -5.141 -1.234 -11.559 206 1HD1 ILE 33 1HD1 ILE 33 -5.365 -3.257 -8.879 207 2HD1 ILE 33 2HD1 ILE 33 -3.671 -3.528 -9.284 208 3HD1 ILE 33 3HD1 ILE 33 -4.787 -2.936 -10.514 209 H ALA 34 H ALA 34 -3.533 1.483 -7.003 210 HA ALA 34 HA ALA 34 -1.374 2.133 -8.928 211 1HB ALA 34 1HB ALA 34 -2.427 4.162 -6.939 212 2HB ALA 34 2HB ALA 34 -2.942 4.118 -8.626 213 3HB ALA 34 3HB ALA 34 -1.254 4.436 -8.226 214 H GLN 35 H GLN 35 0.710 2.262 -7.859 215 HA GLN 35 HA GLN 35 0.683 1.320 -5.009 216 1HB GLN 35 2HB GLN 35 2.571 -0.068 -5.594 217 2HB GLN 35 1HB GLN 35 1.339 -0.317 -6.831 218 1HG GLN 35 2HG GLN 35 2.467 1.284 -8.309 219 2HG GLN 35 1HG GLN 35 3.687 1.584 -7.068 220 1HE2 GLN 35 1HE2 GLN 35 5.569 0.560 -7.796 221 2HE2 GLN 35 2HE2 GLN 35 5.640 -1.038 -8.365 222 H CYS 36 H CYS 36 2.338 2.198 -3.630 223 HA CYS 36 HA CYS 36 4.167 4.249 -4.754 224 1HB CYS 36 2HB CYS 36 1.924 4.765 -2.795 225 2HB CYS 36 1HB CYS 36 3.252 5.894 -3.051 226 H ALA 37 H ALA 37 5.696 5.055 -3.076 227 HA ALA 37 HA ALA 37 5.898 3.500 -0.563 228 1HB ALA 37 1HB ALA 37 7.417 3.045 -3.041 229 2HB ALA 37 2HB ALA 37 7.185 1.977 -1.657 230 3HB ALA 37 3HB ALA 37 8.430 3.224 -1.611 231 HA PRO 38 HA PRO 38 7.704 7.246 0.874 232 1HB PRO 38 2HB PRO 38 9.529 6.315 2.699 233 2HB PRO 38 1HB PRO 38 7.778 6.331 2.991 234 1HG PRO 38 2HG PRO 38 9.525 4.076 2.112 235 2HG PRO 38 1HG PRO 38 8.197 4.080 3.284 236 1HD PRO 38 2HD PRO 38 7.884 3.157 0.764 237 2HD PRO 38 1HD PRO 38 6.570 3.964 1.650 238 H VAL 39 H VAL 39 9.970 8.323 1.171 239 HA VAL 39 HA VAL 39 12.063 7.098 -0.565 240 HB VAL 39 HB VAL 39 10.757 8.336 -2.130 241 1HG1 VAL 39 1HG1 VAL 39 10.386 10.110 0.202 242 2HG1 VAL 39 2HG1 VAL 39 9.282 9.735 -1.115 243 3HG1 VAL 39 3HG1 VAL 39 10.542 10.944 -1.343 244 1HG2 VAL 39 1HG2 VAL 39 12.433 9.611 -3.006 245 2HG2 VAL 39 2HG2 VAL 39 13.368 8.989 -1.647 246 3HG2 VAL 39 3HG2 VAL 39 12.599 10.571 -1.537 247 H GLY 40 H GLY 40 12.868 7.086 1.841 248 1HA GLY 40 2HA GLY 40 14.525 7.911 3.297 249 2HA GLY 40 1HA GLY 40 14.822 9.200 2.132 250 H GLY 41 H GLY 41 11.671 8.565 3.581 251 1HA GLY 41 2HA GLY 41 10.910 9.756 5.615 252 2HA GLY 41 1HA GLY 41 11.969 11.080 5.145 253 H GLN 42 H GLN 42 11.378 11.265 2.432 254 HA GLN 42 HA GLN 42 8.839 12.691 2.519 255 1HB GLN 42 2HB GLN 42 10.760 11.976 0.283 256 2HB GLN 42 1HB GLN 42 9.435 13.128 0.133 257 1HG GLN 42 2HG GLN 42 10.939 13.792 2.477 258 2HG GLN 42 1HG GLN 42 12.064 13.602 1.131 259 1HE2 GLN 42 1HE2 GLN 42 12.459 15.729 0.435 260 2HE2 GLN 42 2HE2 GLN 42 11.244 16.850 0.046 261 H ASP 43 H ASP 43 7.944 12.007 -0.167 262 HA ASP 43 HA ASP 43 7.089 9.159 0.164 263 1HB ASP 43 2HB ASP 43 5.494 10.974 1.058 264 2HB ASP 43 1HB ASP 43 5.230 11.398 -0.633 265 H ALA 44 H ALA 44 6.501 8.134 -1.830 266 HA ALA 44 HA ALA 44 7.031 9.663 -4.342 267 1HB ALA 44 1HB ALA 44 8.213 7.251 -4.839 268 2HB ALA 44 2HB ALA 44 8.531 7.417 -3.111 269 3HB ALA 44 3HB ALA 44 9.092 8.655 -4.234 270 H CYS 45 H CYS 45 5.915 8.747 -6.179 271 HA CYS 45 HA CYS 45 4.133 6.418 -5.617 272 1HB CYS 45 2HB CYS 45 3.460 9.247 -6.040 273 2HB CYS 45 1HB CYS 45 2.567 8.154 -7.094 274 H ASN 46 H ASN 46 3.257 5.460 -7.634 275 HA ASN 46 HA ASN 46 5.133 5.876 -9.934 276 1HB ASN 46 2HB ASN 46 4.652 3.658 -8.527 277 2HB ASN 46 1HB ASN 46 3.298 3.530 -9.651 278 1HD2 ASN 46 1HD2 ASN 46 5.600 1.729 -9.631 279 2HD2 ASN 46 2HD2 ASN 46 6.394 1.918 -11.118 280 HA PRO 47 HA PRO 47 1.156 7.504 -11.504 281 1HB PRO 47 2HB PRO 47 2.262 9.476 -13.033 282 2HB PRO 47 1HB PRO 47 1.916 9.674 -11.303 283 1HG PRO 47 2HG PRO 47 4.504 9.153 -12.665 284 2HG PRO 47 1HG PRO 47 4.159 10.117 -11.220 285 1HD PRO 47 2HD PRO 47 5.222 7.566 -11.188 286 2HD PRO 47 1HD PRO 47 4.366 8.325 -9.830 287 H ALA 48 H ALA 48 4.174 6.742 -13.178 288 HA ALA 48 HA ALA 48 3.247 6.622 -15.856 289 1HB ALA 48 1HB ALA 48 5.513 6.356 -15.761 290 2HB ALA 48 2HB ALA 48 5.119 4.638 -15.678 291 3HB ALA 48 3HB ALA 48 5.444 5.542 -14.198 292 H THR 49 H THR 49 2.777 4.397 -13.179 293 HA THR 49 HA THR 49 1.491 2.426 -15.031 294 HB THR 49 HB THR 49 1.704 1.066 -12.779 295 HG1 THR 49 HG1 THR 49 2.324 2.794 -11.496 296 1HG2 THR 49 1HG2 THR 49 3.066 0.161 -14.364 297 2HG2 THR 49 2HG2 THR 49 4.336 0.972 -13.447 298 3HG2 THR 49 3HG2 THR 49 3.664 1.735 -14.890 299 H ALA 50 H ALA 50 0.114 4.862 -14.276 300 HA ALA 50 HA ALA 50 -1.789 4.099 -12.145 301 1HB ALA 50 1HB ALA 50 -2.546 6.372 -12.405 302 2HB ALA 50 2HB ALA 50 -1.765 6.508 -13.980 303 3HB ALA 50 3HB ALA 50 -0.786 6.402 -12.517 304 H THR 51 H THR 51 -3.887 3.422 -12.544 305 HA THR 51 HA THR 51 -5.043 3.647 -15.251 306 HB THR 51 HB THR 51 -3.712 1.618 -15.384 307 HG1 THR 51 HG1 THR 51 -5.670 1.348 -16.347 308 1HG2 THR 51 1HG2 THR 51 -4.256 1.465 -12.640 309 2HG2 THR 51 2HG2 THR 51 -3.327 0.313 -13.597 310 3HG2 THR 51 3HG2 THR 51 -5.054 0.060 -13.346 311 H SER 52 H SER 52 -7.260 3.888 -15.085 312 HA SER 52 HA SER 52 -8.480 3.446 -12.388 313 1HB SER 52 2HB SER 52 -10.093 5.142 -13.172 314 2HB SER 52 1HB SER 52 -8.442 5.739 -13.304 315 HG SER 52 HG SER 52 -10.144 4.733 -15.336 316 H PHE 53 H PHE 53 -10.385 2.239 -12.219 317 HA PHE 53 HA PHE 53 -11.678 1.174 -14.664 318 1HB PHE 53 2HB PHE 53 -11.198 -1.105 -14.122 319 2HB PHE 53 1HB PHE 53 -9.664 -0.256 -13.934 320 HD1 PHE 53 HD1 PHE 53 -9.074 0.616 -11.562 321 HD2 PHE 53 HD2 PHE 53 -12.105 -2.329 -12.333 322 HE1 PHE 53 HE1 PHE 53 -8.962 -0.121 -9.196 323 HE2 PHE 53 HE2 PHE 53 -11.992 -3.066 -9.968 324 HZ PHE 53 HZ PHE 53 -10.421 -1.963 -8.399 325 H THR 54 H THR 54 -13.450 -0.543 -13.665 326 HA THR 54 HA THR 54 -14.587 0.546 -11.150 327 HB THR 54 HB THR 54 -15.814 0.598 -13.911 328 HG1 THR 54 HG1 THR 54 -15.182 2.569 -13.638 329 1HG2 THR 54 1HG2 THR 54 -17.851 1.500 -12.508 330 2HG2 THR 54 2HG2 THR 54 -17.140 0.521 -11.222 331 3HG2 THR 54 3HG2 THR 54 -17.640 -0.237 -12.734 332 H THR 55 H THR 55 -16.337 -0.902 -10.295 333 HA THR 55 HA THR 55 -15.673 -3.676 -10.515 334 HB THR 55 HB THR 55 -18.048 -3.838 -9.450 335 HG1 THR 55 HG1 THR 55 -18.813 -1.839 -8.770 336 1HG2 THR 55 1HG2 THR 55 -16.684 -2.045 -7.677 337 2HG2 THR 55 2HG2 THR 55 -15.503 -3.072 -8.487 338 3HG2 THR 55 3HG2 THR 55 -16.825 -3.798 -7.576 339 H ASP 56 H ASP 56 -18.128 -5.009 -10.897 340 HA ASP 56 HA ASP 56 -18.984 -4.271 -13.674 341 1HB ASP 56 2HB ASP 56 -17.029 -6.158 -13.116 342 2HB ASP 56 1HB ASP 56 -18.487 -7.138 -13.277 343 H ALA 57 H ALA 57 -20.552 -6.529 -14.165 344 HA ALA 57 HA ALA 57 -22.901 -6.009 -12.664 345 1HB ALA 57 1HB ALA 57 -22.587 -7.141 -14.935 346 2HB ALA 57 2HB ALA 57 -23.779 -7.887 -13.873 347 3HB ALA 57 3HB ALA 57 -22.172 -8.599 -14.035 348 H SER 58 H SER 58 -20.659 -8.756 -12.433 349 HA SER 58 HA SER 58 -21.881 -9.587 -9.874 350 1HB SER 58 2HB SER 58 -20.478 -11.534 -10.196 351 2HB SER 58 1HB SER 58 -21.167 -11.121 -11.765 352 HG SER 58 HG SER 58 -19.156 -9.849 -12.033 353 H GLY 59 H GLY 59 -20.134 -7.057 -10.443 354 1HA GLY 59 2HA GLY 59 -18.528 -5.814 -9.268 355 2HA GLY 59 1HA GLY 59 -18.871 -6.869 -7.899 356 H ALA 60 H ALA 60 -17.716 -8.120 -10.962 357 HA ALA 60 HA ALA 60 -15.216 -8.958 -9.566 358 1HB ALA 60 1HB ALA 60 -15.756 -10.179 -12.144 359 2HB ALA 60 2HB ALA 60 -17.165 -10.279 -11.091 360 3HB ALA 60 3HB ALA 60 -15.623 -10.946 -10.561 361 H ALA 61 H ALA 61 -13.370 -7.901 -10.152 362 HA ALA 61 HA ALA 61 -13.226 -6.705 -12.890 363 1HB ALA 61 1HB ALA 61 -13.076 -5.551 -10.239 364 2HB ALA 61 2HB ALA 61 -13.094 -4.728 -11.798 365 3HB ALA 61 3HB ALA 61 -11.567 -5.273 -11.106 366 H SER 62 H SER 62 -12.077 -8.697 -13.543 367 HA SER 62 HA SER 62 -9.368 -9.049 -12.320 368 1HB SER 62 2HB SER 62 -9.650 -11.187 -13.869 369 2HB SER 62 1HB SER 62 -10.458 -11.106 -12.306 370 HG SER 62 HG SER 62 -11.722 -11.657 -14.321 371 H PHE 63 H PHE 63 -7.661 -8.240 -13.482 372 HA PHE 63 HA PHE 63 -7.731 -8.299 -16.438 373 1HB PHE 63 2HB PHE 63 -7.156 -5.800 -16.400 374 2HB PHE 63 1HB PHE 63 -8.824 -6.219 -16.021 375 HD1 PHE 63 HD1 PHE 63 -9.445 -6.515 -13.528 376 HD2 PHE 63 HD2 PHE 63 -5.860 -4.566 -14.871 377 HE1 PHE 63 HE1 PHE 63 -9.223 -5.411 -11.322 378 HE2 PHE 63 HE2 PHE 63 -5.635 -3.459 -12.660 379 HZ PHE 63 HZ PHE 63 -7.318 -3.883 -10.886 380 H SER 64 H SER 64 -5.567 -7.231 -17.240 381 HA SER 64 HA SER 64 -3.364 -8.475 -15.703 382 1HB SER 64 2HB SER 64 -2.974 -6.992 -18.259 383 2HB SER 64 1HB SER 64 -2.314 -8.545 -17.761 384 HG SER 64 HG SER 64 -4.437 -8.067 -19.271 385 H PHE 65 H PHE 65 -1.715 -7.323 -14.749 386 HA PHE 65 HA PHE 65 -1.661 -4.349 -15.025 387 1HB PHE 65 2HB PHE 65 -3.016 -5.142 -13.047 388 2HB PHE 65 1HB PHE 65 -1.571 -5.944 -12.435 389 HD1 PHE 65 HD1 PHE 65 -0.375 -4.793 -10.823 390 HD2 PHE 65 HD2 PHE 65 -2.502 -2.572 -13.822 391 HE1 PHE 65 HE1 PHE 65 0.371 -2.673 -9.780 392 HE2 PHE 65 HE2 PHE 65 -1.754 -0.451 -12.775 393 HZ PHE 65 HZ PHE 65 -0.319 -0.505 -10.756 394 H VAL 66 H VAL 66 0.489 -3.709 -13.526 395 HA VAL 66 HA VAL 66 2.622 -5.733 -13.952 396 HB VAL 66 HB VAL 66 2.891 -2.900 -14.961 397 1HG1 VAL 66 1HG1 VAL 66 4.705 -3.856 -16.266 398 2HG1 VAL 66 2HG1 VAL 66 4.266 -5.486 -15.753 399 3HG1 VAL 66 3HG1 VAL 66 4.917 -4.337 -14.583 400 1HG2 VAL 66 1HG2 VAL 66 2.325 -3.766 -17.209 401 2HG2 VAL 66 2HG2 VAL 66 0.959 -3.939 -16.108 402 3HG2 VAL 66 3HG2 VAL 66 1.952 -5.341 -16.508 403 H VAL 67 H VAL 67 4.645 -5.103 -12.835 404 HA VAL 67 HA VAL 67 4.243 -3.025 -10.710 405 HB VAL 67 HB VAL 67 5.326 -4.689 -9.159 406 1HG1 VAL 67 1HG1 VAL 67 2.768 -5.551 -10.547 407 2HG1 VAL 67 2HG1 VAL 67 2.890 -4.436 -9.186 408 3HG1 VAL 67 3HG1 VAL 67 3.306 -6.137 -8.973 409 1HG2 VAL 67 1HG2 VAL 67 6.203 -5.959 -11.328 410 2HG2 VAL 67 2HG2 VAL 67 4.676 -6.825 -11.159 411 3HG2 VAL 67 3HG2 VAL 67 5.851 -6.845 -9.844 412 H ARG 68 H ARG 68 6.588 -2.908 -9.501 413 HA ARG 68 HA ARG 68 8.838 -3.221 -11.378 414 1HB ARG 68 2HB ARG 68 7.383 -0.680 -10.835 415 2HB ARG 68 1HB ARG 68 9.142 -0.584 -10.921 416 1HG ARG 68 2HG ARG 68 8.981 -1.877 -13.112 417 2HG ARG 68 1HG ARG 68 7.242 -1.594 -13.046 418 1HD ARG 68 2HD ARG 68 7.505 0.765 -13.225 419 2HD ARG 68 1HD ARG 68 9.234 0.677 -12.834 420 HE ARG 68 HE ARG 68 9.264 -0.821 -15.027 421 1HH1 ARG 68 1HH1 ARG 68 6.493 0.997 -14.845 422 2HH1 ARG 68 2HH1 ARG 68 6.773 1.923 -16.282 423 1HH2 ARG 68 1HH2 ARG 68 10.026 0.796 -16.692 424 2HH2 ARG 68 2HH2 ARG 68 8.774 1.810 -17.328 425 H LYS 69 H LYS 69 10.529 -3.826 -10.094 426 HA LYS 69 HA LYS 69 10.516 -3.714 -7.239 427 1HB LYS 69 2HB LYS 69 11.810 -5.277 -8.679 428 2HB LYS 69 1HB LYS 69 12.815 -3.928 -9.208 429 1HG LYS 69 2HG LYS 69 13.655 -3.579 -6.975 430 2HG LYS 69 1HG LYS 69 12.505 -4.739 -6.308 431 1HD LYS 69 2HD LYS 69 13.702 -6.316 -8.144 432 2HD LYS 69 1HD LYS 69 15.040 -5.223 -7.785 433 1HE LYS 69 2HE LYS 69 13.733 -6.002 -5.320 434 2HE LYS 69 1HE LYS 69 14.226 -7.440 -6.239 435 1HZ LYS 69 1HZ LYS 69 16.408 -6.521 -6.524 436 2HZ LYS 69 2HZ LYS 69 16.042 -6.525 -4.866 437 3HZ LYS 69 3HZ LYS 69 15.960 -5.079 -5.755 438 H SER 70 H SER 70 12.113 -1.661 -9.680 439 HA SER 70 HA SER 70 12.514 0.418 -7.555 440 1HB SER 70 2HB SER 70 14.334 -0.069 -9.914 441 2HB SER 70 1HB SER 70 14.687 0.827 -8.438 442 HG SER 70 HG SER 70 15.507 -1.432 -8.660 443 H TYR 71 H TYR 71 11.262 2.174 -8.075 444 HA TYR 71 HA TYR 71 10.971 2.894 -10.971 445 1HB TYR 71 2HB TYR 71 8.633 3.295 -10.576 446 2HB TYR 71 1HB TYR 71 8.996 1.721 -9.865 447 HD1 TYR 71 HD1 TYR 71 7.865 5.100 -9.231 448 HD2 TYR 71 HD2 TYR 71 9.458 1.571 -7.370 449 HE1 TYR 71 HE1 TYR 71 7.108 5.922 -7.016 450 HE2 TYR 71 HE2 TYR 71 8.700 2.394 -5.159 451 HH TYR 71 HH TYR 71 6.698 5.271 -4.854 452 H THR 72 H THR 72 11.078 5.129 -11.395 453 HA THR 72 HA THR 72 12.417 6.841 -9.553 454 HB THR 72 HB THR 72 10.621 7.852 -11.740 455 HG1 THR 72 HG1 THR 72 12.937 6.251 -12.001 456 1HG2 THR 72 1HG2 THR 72 13.332 8.516 -10.607 457 2HG2 THR 72 2HG2 THR 72 11.921 9.561 -10.777 458 3HG2 THR 72 3HG2 THR 72 12.851 9.095 -12.202 459 H GLY 73 H GLY 73 11.620 8.372 -8.081 460 1HA GLY 73 2HA GLY 73 8.645 8.549 -7.825 461 2HA GLY 73 1HA GLY 73 9.677 8.359 -6.408 462 H SER 74 H SER 74 7.882 10.584 -6.942 463 HA SER 74 HA SER 74 9.902 12.780 -6.842 464 1HB SER 74 2HB SER 74 8.191 14.062 -8.286 465 2HB SER 74 1HB SER 74 9.162 12.838 -9.097 466 HG SER 74 HG SER 74 7.107 12.381 -9.672 467 H THR 75 H THR 75 8.982 14.757 -5.838 468 HA THR 75 HA THR 75 7.231 14.109 -3.582 469 HB THR 75 HB THR 75 7.974 16.204 -2.783 470 HG1 THR 75 HG1 THR 75 8.749 17.046 -5.341 471 1HG2 THR 75 1HG2 THR 75 9.812 14.489 -3.542 472 2HG2 THR 75 2HG2 THR 75 10.272 16.097 -2.979 473 3HG2 THR 75 3HG2 THR 75 10.208 15.752 -4.707 474 HA PRO 76 HA PRO 76 3.485 15.730 -5.179 475 1HB PRO 76 2HB PRO 76 2.548 17.429 -3.262 476 2HB PRO 76 1HB PRO 76 2.567 15.667 -3.072 477 1HG PRO 76 2HG PRO 76 4.389 17.712 -1.936 478 2HG PRO 76 1HG PRO 76 3.819 16.189 -1.237 479 1HD PRO 76 2HD PRO 76 6.301 16.565 -2.363 480 2HD PRO 76 1HD PRO 76 5.513 14.988 -2.171 481 H GLU 77 H GLU 77 5.845 18.124 -4.180 482 HA GLU 77 HA GLU 77 4.551 20.401 -5.437 483 1HB GLU 77 2HB GLU 77 6.850 19.776 -3.840 484 2HB GLU 77 1HB GLU 77 7.379 20.717 -5.235 485 1HG GLU 77 2HG GLU 77 4.923 21.816 -4.184 486 2HG GLU 77 1HG GLU 77 6.128 21.695 -2.902 487 H GLY 78 H GLY 78 6.284 17.699 -6.629 488 1HA GLY 78 2HA GLY 78 6.482 17.217 -8.985 489 2HA GLY 78 1HA GLY 78 6.377 18.947 -9.318 490 H THR 79 H THR 79 8.519 16.872 -7.321 491 HA THR 79 HA THR 79 10.848 18.095 -8.750 492 HB THR 79 HB THR 79 10.438 17.735 -5.767 493 HG1 THR 79 HG1 THR 79 10.916 20.109 -7.214 494 1HG2 THR 79 1HG2 THR 79 12.706 17.497 -5.824 495 2HG2 THR 79 2HG2 THR 79 12.676 19.248 -6.029 496 3HG2 THR 79 3HG2 THR 79 12.838 18.198 -7.437 497 HA PRO 80 HA PRO 80 11.658 13.691 -8.908 498 1HB PRO 80 2HB PRO 80 13.789 13.871 -10.611 499 2HB PRO 80 1HB PRO 80 12.102 13.967 -11.160 500 1HG PRO 80 2HG PRO 80 14.072 16.154 -10.709 501 2HG PRO 80 1HG PRO 80 12.841 15.983 -11.971 502 1HD PRO 80 2HD PRO 80 12.550 17.588 -9.771 503 2HD PRO 80 1HD PRO 80 11.188 16.872 -10.661 504 H VAL 81 H VAL 81 12.390 13.922 -6.582 505 HA VAL 81 HA VAL 81 14.957 14.815 -5.778 506 HB VAL 81 HB VAL 81 13.189 12.580 -4.741 507 1HG1 VAL 81 1HG1 VAL 81 15.687 13.866 -3.702 508 2HG1 VAL 81 2HG1 VAL 81 15.166 12.185 -3.592 509 3HG1 VAL 81 3HG1 VAL 81 14.436 13.406 -2.547 510 1HG2 VAL 81 1HG2 VAL 81 12.323 14.290 -3.224 511 2HG2 VAL 81 2HG2 VAL 81 12.144 14.848 -4.889 512 3HG2 VAL 81 3HG2 VAL 81 13.447 15.480 -3.881 513 H GLY 82 H GLY 82 13.916 11.671 -7.049 514 1HA GLY 82 2HA GLY 82 16.272 10.946 -8.324 515 2HA GLY 82 1HA GLY 82 16.500 10.405 -6.659 516 H SER 83 H SER 83 16.477 8.182 -7.406 517 HA SER 83 HA SER 83 13.885 7.189 -8.482 518 1HB SER 83 2HB SER 83 16.616 5.930 -8.126 519 2HB SER 83 1HB SER 83 15.240 5.131 -8.882 520 HG SER 83 HG SER 83 16.986 6.866 -9.942 521 H VAL 84 H VAL 84 12.949 5.223 -7.464 522 HA VAL 84 HA VAL 84 13.555 5.057 -4.527 523 HB VAL 84 HB VAL 84 10.954 4.950 -6.082 524 1HG1 VAL 84 1HG1 VAL 84 11.490 4.440 -3.139 525 2HG1 VAL 84 2HG1 VAL 84 10.857 3.281 -4.308 526 3HG1 VAL 84 3HG1 VAL 84 9.886 4.675 -3.836 527 1HG2 VAL 84 1HG2 VAL 84 10.407 6.953 -4.843 528 2HG2 VAL 84 2HG2 VAL 84 12.005 7.191 -5.545 529 3HG2 VAL 84 3HG2 VAL 84 11.844 6.786 -3.837 530 H ASP 85 H ASP 85 13.460 2.924 -3.614 531 HA ASP 85 HA ASP 85 13.234 0.691 -5.607 532 1HB ASP 85 2HB ASP 85 15.219 1.183 -3.370 533 2HB ASP 85 1HB ASP 85 15.082 -0.357 -4.225 534 H CYS 86 H CYS 86 12.666 -1.413 -4.582 535 HA CYS 86 HA CYS 86 10.875 -1.009 -2.220 536 1HB CYS 86 2HB CYS 86 10.964 -2.860 -4.594 537 2HB CYS 86 1HB CYS 86 10.027 -3.301 -3.169 538 H ALA 87 H ALA 87 13.868 -2.352 -3.117 539 HA ALA 87 HA ALA 87 13.859 -4.670 -1.347 540 1HB ALA 87 1HB ALA 87 16.419 -3.425 -2.126 541 2HB ALA 87 2HB ALA 87 15.332 -3.759 -3.475 542 3HB ALA 87 3HB ALA 87 15.839 -5.067 -2.406 543 H THR 88 H THR 88 15.489 -1.470 -1.207 544 HA THR 88 HA THR 88 16.445 -1.848 1.501 545 HB THR 88 HB THR 88 17.374 -0.331 -0.299 546 HG1 THR 88 HG1 THR 88 18.069 1.069 1.194 547 1HG2 THR 88 1HG2 THR 88 15.734 1.942 0.310 548 2HG2 THR 88 2HG2 THR 88 14.702 0.629 -0.254 549 3HG2 THR 88 3HG2 THR 88 16.035 1.195 -1.258 550 H ALA 89 H ALA 89 13.431 -0.852 0.127 551 HA ALA 89 HA ALA 89 12.431 -0.163 2.853 552 1HB ALA 89 1HB ALA 89 12.737 1.908 1.666 553 2HB ALA 89 2HB ALA 89 11.010 1.558 1.613 554 3HB ALA 89 3HB ALA 89 12.019 1.238 0.202 555 H ALA 90 H ALA 90 9.754 0.245 2.027 556 HA ALA 90 HA ALA 90 9.013 -2.385 0.802 557 1HB ALA 90 1HB ALA 90 7.860 -1.040 3.267 558 2HB ALA 90 2HB ALA 90 8.891 -2.472 3.263 559 3HB ALA 90 3HB ALA 90 7.274 -2.548 2.565 560 H CYS 91 H CYS 91 7.385 -2.198 -0.713 561 HA CYS 91 HA CYS 91 5.964 0.442 -0.856 562 1HB CYS 91 2HB CYS 91 5.921 -0.178 -3.387 563 2HB CYS 91 1HB CYS 91 7.444 0.381 -2.702 564 H ASN 92 H ASN 92 3.721 0.354 -1.345 565 HA ASN 92 HA ASN 92 2.544 -2.408 -1.416 566 1HB ASN 92 2HB ASN 92 0.717 -1.378 0.002 567 2HB ASN 92 1HB ASN 92 2.291 -1.472 0.794 568 1HD2 ASN 92 1HD2 ASN 92 -0.040 0.757 -0.680 569 2HD2 ASN 92 2HD2 ASN 92 0.694 2.178 -0.112 570 H LEU 93 H LEU 93 0.686 -2.660 -2.703 571 HA LEU 93 HA LEU 93 -0.009 -0.328 -4.465 572 1HB LEU 93 2HB LEU 93 1.055 -1.896 -5.851 573 2HB LEU 93 1HB LEU 93 0.467 -3.269 -4.914 574 HG LEU 93 HG LEU 93 -1.860 -2.735 -5.751 575 1HD1 LEU 93 1HD1 LEU 93 -1.435 -0.377 -6.345 576 2HD1 LEU 93 2HD1 LEU 93 -2.023 -1.280 -7.741 577 3HD1 LEU 93 3HD1 LEU 93 -0.308 -0.895 -7.599 578 1HD2 LEU 93 1HD2 LEU 93 -0.369 -4.480 -6.769 579 2HD2 LEU 93 2HD2 LEU 93 0.191 -3.270 -7.923 580 3HD2 LEU 93 3HD2 LEU 93 -1.499 -3.773 -7.924 581 H GLY 94 H GLY 94 -2.046 0.389 -3.863 582 1HA GLY 94 2HA GLY 94 -4.091 -1.706 -3.233 583 2HA GLY 94 1HA GLY 94 -3.974 -0.237 -2.267 584 H ALA 95 H ALA 95 -6.378 -0.503 -3.251 585 HA ALA 95 HA ALA 95 -6.483 1.430 -5.524 586 1HB ALA 95 1HB ALA 95 -7.913 0.015 -6.762 587 2HB ALA 95 2HB ALA 95 -8.301 -0.969 -5.351 588 3HB ALA 95 3HB ALA 95 -6.713 -1.098 -6.106 589 H GLY 96 H GLY 96 -8.851 2.229 -5.754 590 1HA GLY 96 2HA GLY 96 -10.998 2.109 -4.184 591 2HA GLY 96 1HA GLY 96 -9.869 2.824 -3.032 592 H ASN 97 H ASN 97 -12.079 4.310 -3.686 593 HA ASN 97 HA ASN 97 -11.373 6.160 -5.868 594 1HB ASN 97 2HB ASN 97 -13.594 6.904 -5.630 595 2HB ASN 97 1HB ASN 97 -13.706 5.213 -5.149 596 1HD2 ASN 97 1HD2 ASN 97 -14.295 4.753 -2.965 597 2HD2 ASN 97 2HD2 ASN 97 -14.617 5.958 -1.814 598 H SER 98 H SER 98 -11.802 6.274 -2.338 599 HA SER 98 HA SER 98 -9.666 8.037 -1.792 600 1HB SER 98 2HB SER 98 -10.418 10.036 -2.536 601 2HB SER 98 1HB SER 98 -11.854 9.242 -3.173 602 HG SER 98 HG SER 98 -12.536 10.746 -1.693 603 H GLY 99 H GLY 99 -13.069 7.394 -0.987 604 1HA GLY 99 2HA GLY 99 -12.343 7.546 1.906 605 2HA GLY 99 1HA GLY 99 -13.980 7.736 1.275 606 H LEU 100 H LEU 100 -13.049 5.357 -0.609 607 HA LEU 100 HA LEU 100 -14.212 3.279 1.130 608 1HB LEU 100 2HB LEU 100 -14.835 3.681 -1.273 609 2HB LEU 100 1HB LEU 100 -13.212 3.155 -1.727 610 HG LEU 100 HG LEU 100 -14.383 1.242 0.089 611 1HD1 LEU 100 1HD1 LEU 100 -16.439 2.375 -1.129 612 2HD1 LEU 100 2HD1 LEU 100 -16.363 0.622 -0.956 613 3HD1 LEU 100 3HD1 LEU 100 -15.913 1.378 -2.484 614 1HD2 LEU 100 1HD2 LEU 100 -12.545 0.741 -1.430 615 2HD2 LEU 100 2HD2 LEU 100 -13.543 1.152 -2.823 616 3HD2 LEU 100 3HD2 LEU 100 -13.925 -0.271 -1.855 617 H ASP 101 H ASP 101 -11.383 3.250 -1.052 618 HA ASP 101 HA ASP 101 -9.211 2.358 -0.712 619 1HB ASP 101 2HB ASP 101 -9.714 3.654 1.506 620 2HB ASP 101 1HB ASP 101 -9.957 2.047 2.192 621 H LEU 102 H LEU 102 -10.326 0.482 -1.894 622 HA LEU 102 HA LEU 102 -11.510 -1.758 -0.716 623 1HB LEU 102 2HB LEU 102 -10.119 -1.031 -3.146 624 2HB LEU 102 1HB LEU 102 -9.725 -2.691 -2.694 625 HG LEU 102 HG LEU 102 -12.566 -2.082 -2.347 626 1HD1 LEU 102 1HD1 LEU 102 -12.833 -0.883 -4.255 627 2HD1 LEU 102 2HD1 LEU 102 -12.550 -2.413 -5.087 628 3HD1 LEU 102 3HD1 LEU 102 -11.217 -1.286 -4.836 629 1HD2 LEU 102 1HD2 LEU 102 -12.659 -4.173 -3.832 630 2HD2 LEU 102 2HD2 LEU 102 -11.834 -4.350 -2.285 631 3HD2 LEU 102 3HD2 LEU 102 -10.897 -4.167 -3.766 632 H GLY 103 H GLY 103 -8.065 -0.933 -0.855 633 1HA GLY 103 2HA GLY 103 -7.025 -1.875 1.394 634 2HA GLY 103 1HA GLY 103 -7.396 -3.413 0.617 635 H HIS 104 H HIS 104 -4.768 -2.945 1.182 636 HA HIS 104 HA HIS 104 -3.612 -2.468 -1.543 637 1HB HIS 104 2HB HIS 104 -1.780 -1.675 0.567 638 2HB HIS 104 1HB HIS 104 -2.389 -0.711 -0.773 639 HD1 HIS 104 HD1 HIS 104 -4.452 0.804 -0.318 640 HD2 HIS 104 HD2 HIS 104 -3.193 -1.341 3.026 641 HE1 HIS 104 HE1 HIS 104 -5.655 1.808 1.672 642 H VAL 105 H VAL 105 -2.421 -4.222 -2.158 643 HA VAL 105 HA VAL 105 -1.735 -6.287 -0.160 644 HB VAL 105 HB VAL 105 -1.695 -6.026 -3.170 645 1HG1 VAL 105 1HG1 VAL 105 0.290 -7.329 -2.512 646 2HG1 VAL 105 2HG1 VAL 105 -0.921 -8.375 -3.254 647 3HG1 VAL 105 3HG1 VAL 105 -0.718 -8.366 -1.502 648 1HG2 VAL 105 1HG2 VAL 105 -3.167 -7.837 -1.227 649 2HG2 VAL 105 2HG2 VAL 105 -3.332 -7.885 -2.981 650 3HG2 VAL 105 3HG2 VAL 105 -3.860 -6.462 -2.086 651 H ALA 106 H ALA 106 0.276 -6.336 0.773 652 HA ALA 106 HA ALA 106 2.371 -4.485 0.101 653 1HB ALA 106 1HB ALA 106 1.967 -6.873 1.850 654 2HB ALA 106 2HB ALA 106 2.454 -5.236 2.288 655 3HB ALA 106 3HB ALA 106 3.624 -6.341 1.568 656 H LEU 107 H LEU 107 3.829 -4.631 -1.561 657 HA LEU 107 HA LEU 107 4.054 -7.194 -3.050 658 1HB LEU 107 2HB LEU 107 4.939 -4.339 -3.550 659 2HB LEU 107 1HB LEU 107 5.245 -5.665 -4.673 660 HG LEU 107 HG LEU 107 2.513 -4.760 -3.716 661 1HD1 LEU 107 1HD1 LEU 107 3.838 -4.547 -6.438 662 2HD1 LEU 107 2HD1 LEU 107 3.617 -3.206 -5.314 663 3HD1 LEU 107 3HD1 LEU 107 2.212 -3.999 -6.028 664 1HD2 LEU 107 1HD2 LEU 107 2.478 -7.137 -4.131 665 2HD2 LEU 107 2HD2 LEU 107 3.420 -6.948 -5.610 666 3HD2 LEU 107 3HD2 LEU 107 1.760 -6.357 -5.540 667 H THR 108 H THR 108 6.289 -7.852 -3.746 668 HA THR 108 HA THR 108 8.555 -6.913 -2.110 669 HB THR 108 HB THR 108 7.646 -9.791 -1.907 670 HG1 THR 108 HG1 THR 108 6.490 -9.265 -0.163 671 1HG2 THR 108 1HG2 THR 108 9.619 -8.025 -0.468 672 2HG2 THR 108 2HG2 THR 108 9.901 -9.583 -1.245 673 3HG2 THR 108 3HG2 THR 108 9.006 -9.504 0.272 674 H PHE 109 H PHE 109 10.519 -8.448 -2.646 675 HA PHE 109 HA PHE 109 10.295 -9.579 -5.400 676 1HB PHE 109 2HB PHE 109 12.150 -7.396 -4.417 677 2HB PHE 109 1HB PHE 109 12.410 -8.269 -5.927 678 HD1 PHE 109 HD1 PHE 109 11.168 -7.745 -7.886 679 HD2 PHE 109 HD2 PHE 109 9.986 -6.119 -4.089 680 HE1 PHE 109 HE1 PHE 109 9.545 -6.258 -9.028 681 HE2 PHE 109 HE2 PHE 109 8.364 -4.630 -5.232 682 HZ PHE 109 HZ PHE 109 8.143 -4.700 -7.702 683 H GLY 110 H GLY 110 11.949 -11.147 -5.860 684 1HA GLY 110 2HA GLY 110 14.192 -12.066 -5.056 685 2HA GLY 110 1HA GLY 110 13.471 -12.042 -3.445
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