NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
561976 | 2m7o | 19198 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 33.160 1.532 3.290 2 HA2 GLY 1 1HA GLY 1 32.511 3.906 1.633 3 HA3 GLY 1 2HA GLY 1 33.473 2.521 1.028 4 H ASP 2 H ASP 2 30.365 3.769 0.904 5 HA ASP 2 HA ASP 2 29.034 1.352 1.990 6 HB3 ASP 2 2HB ASP 2 27.561 3.126 3.030 7 H ASP 3 H ASP 3 28.585 0.550 0.020 8 HA ASP 3 HA ASP 3 26.380 1.771 -1.544 9 HB3 ASP 3 2HB ASP 3 29.092 0.887 -2.583 10 H ARG 4 H ARG 4 25.657 0.108 0.223 11 HA ARG 4 HA ARG 4 25.001 -2.287 -1.300 12 HB3 ARG 4 2HB ARG 4 25.688 -3.310 1.306 13 HG3 ARG 4 2HG ARG 4 26.694 -3.718 -1.529 14 HD3 ARG 4 2HD ARG 4 28.550 -4.265 -0.010 15 HE ARG 4 HE ARG 4 26.785 -5.287 1.781 16 HH11 ARG 4 1HH1 ARG 4 29.637 -6.592 0.092 17 HH12 ARG 4 2HH1 ARG 4 29.963 -7.743 1.380 18 HH21 ARG 4 1HH2 ARG 4 27.061 -7.107 3.200 19 HH22 ARG 4 2HH2 ARG 4 28.563 -7.992 3.106 20 H LYS 5 H LYS 5 23.761 0.206 -0.082 21 HA LYS 5 HA LYS 5 21.987 -0.694 1.955 22 HB3 LYS 5 2HB LYS 5 21.094 1.598 0.313 23 HG3 LYS 5 2HG LYS 5 20.608 0.810 2.848 24 HD3 LYS 5 2HD LYS 5 22.879 2.854 3.017 25 HE3 LYS 5 2HE LYS 5 21.368 1.635 5.363 26 HZ1 LYS 5 3HZ LYS 5 23.368 2.926 5.845 27 HZ2 LYS 5 1HZ LYS 5 22.056 3.781 6.336 28 HZ3 LYS 5 2HZ LYS 5 22.843 4.197 4.951 29 H LEU 6 H LEU 6 20.395 -2.221 1.555 30 HA LEU 6 HA LEU 6 19.198 -2.354 -1.169 31 HB3 LEU 6 2HB LEU 6 18.536 -4.581 -0.639 32 HG LEU 6 HG LEU 6 21.306 -4.451 0.598 33 HD11 LEU 6 1HD1 LEU 6 19.924 -6.617 -1.014 34 HD12 LEU 6 2HD1 LEU 6 20.061 -6.579 0.750 35 HD13 LEU 6 3HD1 LEU 6 21.522 -6.706 -0.229 36 HD21 LEU 6 3HD2 LEU 6 22.254 -4.768 -1.657 37 HD22 LEU 6 1HD2 LEU 6 21.461 -3.206 -1.511 38 HD23 LEU 6 2HD2 LEU 6 20.634 -4.526 -2.372 39 H MET 7 H MET 7 17.064 -1.668 -1.375 40 HA MET 7 HA MET 7 15.529 -1.229 1.107 41 HB3 MET 7 2HB MET 7 16.164 0.826 0.234 42 HG3 MET 7 2HG MET 7 16.518 0.219 -2.206 43 HE1 MET 7 3HE MET 7 12.024 1.256 -2.843 44 HE2 MET 7 1HE MET 7 12.597 0.801 -1.233 45 HE3 MET 7 2HE MET 7 13.204 2.285 -2.000 46 H LYS 8 H LYS 8 13.115 -0.836 -0.095 47 HA LYS 8 HA LYS 8 12.252 -3.604 -0.299 48 HB3 LYS 8 2HB LYS 8 9.966 -2.425 -0.419 49 HG3 LYS 8 2HG LYS 8 10.113 -1.438 1.907 50 HD3 LYS 8 2HD LYS 8 11.482 -4.131 1.611 51 HE3 LYS 8 2HE LYS 8 9.735 -2.993 3.802 52 HZ1 LYS 8 3HZ LYS 8 10.657 -5.738 3.235 53 HZ2 LYS 8 1HZ LYS 8 9.217 -5.245 3.840 54 HZ3 LYS 8 2HZ LYS 8 10.505 -5.216 4.820 55 H THR 9 H THR 9 10.130 -3.646 -2.060 56 HA THR 9 HA THR 9 11.169 -2.878 -4.701 57 HB THR 9 HB THR 9 10.617 -5.148 -5.559 58 HG1 THR 9 1HG THR 9 10.553 -6.795 -3.767 59 HG21 THR 9 3HG2 THR 9 12.550 -6.335 -4.799 60 HG22 THR 9 1HG2 THR 9 12.637 -5.377 -3.305 61 HG23 THR 9 2HG2 THR 9 12.969 -4.616 -4.869 62 H GLN 10 H GLN 10 9.360 -3.309 -6.334 63 HA GLN 10 HA GLN 10 6.889 -2.162 -5.428 64 HB3 GLN 10 2HB GLN 10 7.148 -3.736 -8.026 65 HG3 GLN 10 2HG GLN 10 6.386 -1.338 -8.854 66 HE21 GLN 10 1HE2 GLN 10 3.993 -1.848 -6.623 67 HE22 GLN 10 2HE2 GLN 10 3.198 -3.189 -7.393 68 H GLU 11 H GLU 11 8.122 -5.454 -5.649 69 HA GLU 11 HA GLU 11 5.642 -6.815 -5.180 70 HB3 GLU 11 2HB GLU 11 7.729 -8.270 -3.958 71 HG3 GLU 11 2HG GLU 11 7.693 -9.448 -6.213 72 H GLU 12 H GLU 12 8.365 -5.915 -2.940 73 HA GLU 12 HA GLU 12 6.977 -6.820 -0.702 74 HB3 GLU 12 2HB GLU 12 8.529 -5.428 0.632 75 HG3 GLU 12 2HG GLU 12 10.108 -6.940 -1.454 76 H LEU 13 H LEU 13 7.157 -3.372 -1.850 77 HA LEU 13 HA LEU 13 5.736 -2.358 0.442 78 HB3 LEU 13 2HB LEU 13 5.057 -0.514 -1.368 79 HG LEU 13 HG LEU 13 6.552 0.721 -0.415 80 HD11 LEU 13 1HD1 LEU 13 8.449 -0.007 0.941 81 HD12 LEU 13 2HD1 LEU 13 8.070 -1.699 0.511 82 HD13 LEU 13 3HD1 LEU 13 6.911 -0.705 1.417 83 HD21 LEU 13 3HD2 LEU 13 8.631 -0.775 -2.046 84 HD22 LEU 13 1HD2 LEU 13 8.851 0.826 -1.308 85 HD23 LEU 13 2HD2 LEU 13 7.657 0.626 -2.567 86 H THR 14 H THR 14 4.602 -3.768 -2.614 87 HA THR 14 HA THR 14 1.829 -3.173 -2.054 88 HB THR 14 HB THR 14 2.996 -5.238 -3.975 89 HG1 THR 14 1HG THR 14 3.777 -3.685 -4.966 90 HG21 THR 14 3HG2 THR 14 0.922 -4.747 -5.255 91 HG22 THR 14 1HG2 THR 14 0.428 -3.559 -4.036 92 HG23 THR 14 2HG2 THR 14 0.497 -5.291 -3.632 93 H GLU 15 H GLU 15 4.009 -6.027 -1.567 94 HA GLU 15 HA GLU 15 1.950 -7.780 -0.694 95 HB3 GLU 15 2HB GLU 15 4.019 -8.889 0.530 96 HG3 GLU 15 2HG GLU 15 4.924 -9.855 -1.531 97 H ILE 16 H ILE 16 3.881 -5.383 1.085 98 HA ILE 16 HA ILE 16 2.987 -6.144 3.670 99 HB ILE 16 HB ILE 16 3.751 -3.419 2.501 100 HG13 ILE 16 2HG1 ILE 16 5.497 -5.345 2.737 101 HG21 ILE 16 1HG2 ILE 16 4.016 -2.634 4.872 102 HG22 ILE 16 2HG2 ILE 16 2.346 -2.985 4.470 103 HG23 ILE 16 3HG2 ILE 16 3.283 -4.147 5.431 104 HD11 ILE 16 3HD1 ILE 16 6.137 -2.898 2.521 105 HD12 ILE 16 1HD1 ILE 16 6.212 -2.846 4.299 106 HD13 ILE 16 2HD1 ILE 16 7.287 -3.923 3.396 107 H VAL 17 H VAL 17 1.653 -3.635 1.483 108 HA VAL 17 HA VAL 17 -0.639 -3.046 3.001 109 HB VAL 17 HB VAL 17 0.152 -2.742 0.081 110 HG11 VAL 17 1HG1 VAL 17 -2.395 -1.799 1.398 111 HG12 VAL 17 2HG1 VAL 17 -1.686 -0.959 -0.004 112 HG13 VAL 17 3HG1 VAL 17 -2.189 -2.651 -0.137 113 HG21 VAL 17 3HG2 VAL 17 0.022 -0.827 2.448 114 HG22 VAL 17 1HG2 VAL 17 1.500 -1.483 1.700 115 HG23 VAL 17 2HG2 VAL 17 0.472 -0.384 0.801 116 H ARG 18 H ARG 18 -0.175 -5.487 0.441 117 HA ARG 18 HA ARG 18 -2.936 -6.262 0.274 118 HB3 ARG 18 2HB ARG 18 -0.447 -7.851 -0.459 119 HG3 ARG 18 2HG ARG 18 -3.196 -7.681 -1.769 120 HD3 ARG 18 2HD ARG 18 -0.809 -9.523 -2.180 121 HE ARG 18 HE ARG 18 -3.094 -10.167 -3.793 122 HH11 ARG 18 1HH1 ARG 18 -1.714 -10.881 -0.557 123 HH12 ARG 18 2HH1 ARG 18 -2.725 -12.288 -0.378 124 HH21 ARG 18 1HH2 ARG 18 -4.175 -12.045 -3.582 125 HH22 ARG 18 2HH2 ARG 18 -4.031 -13.083 -2.190 126 H ASP 19 H ASP 19 -0.087 -7.693 2.013 127 HA ASP 19 HA ASP 19 -1.461 -9.909 3.140 128 HB3 ASP 19 2HB ASP 19 0.887 -8.338 4.288 129 H HIS 20 H HIS 20 -1.187 -6.521 4.038 130 HA HIS 20 HA HIS 20 -2.310 -6.814 6.691 131 HB3 HIS 20 2HB HIS 20 -2.930 -4.325 6.346 132 HD1 HIS 20 1HD HIS 20 -0.833 -5.963 8.232 133 HD2 HIS 20 2HD HIS 20 -0.019 -2.881 5.459 134 HE1 HIS 20 1HE HIS 20 1.258 -4.759 9.064 135 H PHE 21 H PHE 21 -3.820 -5.618 3.649 136 HA PHE 21 HA PHE 21 -6.358 -5.519 4.987 137 HB3 PHE 21 2HB PHE 21 -6.503 -5.484 2.048 138 HD1 PHE 21 2HD PHE 21 -8.714 -5.299 4.035 139 HD2 PHE 21 1HD PHE 21 -6.042 -2.252 2.557 140 HE1 PHE 21 2HE PHE 21 -10.396 -3.572 4.544 141 HE2 PHE 21 1HE PHE 21 -7.760 -0.546 2.980 142 HZ PHE 21 HZ PHE 21 -9.961 -1.180 3.956 143 H SER 22 H SER 22 -4.773 -8.122 3.267 144 HA SER 22 HA SER 22 -7.031 -9.765 2.693 145 HB3 SER 22 2HB SER 22 -5.464 -11.596 2.751 146 HG SER 22 HG SER 22 -4.161 -9.293 1.712 147 H ASP 23 H ASP 23 -5.695 -8.688 5.743 148 HA ASP 23 HA ASP 23 -6.929 -10.923 7.225 149 HB3 ASP 23 2HB ASP 23 -5.456 -8.709 8.570 150 H MET 24 H MET 24 -8.065 -8.209 5.886 151 HA MET 24 HA MET 24 -9.894 -7.530 8.132 152 HB3 MET 24 2HB MET 24 -9.663 -5.167 7.584 153 HG3 MET 24 2HG MET 24 -6.841 -6.229 7.881 154 HE1 MET 24 3HE MET 24 -6.409 -2.358 7.212 155 HE2 MET 24 1HE MET 24 -5.874 -3.995 6.759 156 HE3 MET 24 2HE MET 24 -7.530 -3.451 6.374 157 H GLY 25 H GLY 25 -9.770 -8.759 5.039 158 HA2 GLY 25 1HA GLY 25 -12.352 -9.110 4.628 159 HA3 GLY 25 2HA GLY 25 -12.238 -7.452 4.043 160 H GLU 26 H GLU 26 -12.650 -7.931 1.826 161 HA GLU 26 HA GLU 26 -10.697 -9.662 0.423 162 HB3 GLU 26 2HB GLU 26 -12.638 -10.347 -0.971 163 HG3 GLU 26 2HG GLU 26 -12.665 -11.321 1.895 164 H ILE 27 H ILE 27 -9.962 -8.786 -1.353 165 HA ILE 27 HA ILE 27 -10.800 -6.076 -2.056 166 HB ILE 27 HB ILE 27 -8.309 -7.760 -2.596 167 HG13 ILE 27 2HG1 ILE 27 -9.118 -5.858 -0.422 168 HG21 ILE 27 1HG2 ILE 27 -8.499 -6.220 -4.389 169 HG22 ILE 27 2HG2 ILE 27 -8.965 -4.879 -3.301 170 HG23 ILE 27 3HG2 ILE 27 -7.328 -5.535 -3.264 171 HD11 ILE 27 3HD1 ILE 27 -7.513 -7.071 0.927 172 HD12 ILE 27 1HD1 ILE 27 -8.430 -8.291 0.038 173 HD13 ILE 27 2HD1 ILE 27 -6.793 -7.836 -0.486 174 H ALA 28 H ALA 28 -11.687 -5.594 -3.976 175 HA ALA 28 HA ALA 28 -12.387 -7.606 -5.989 176 HB1 ALA 28 1HB ALA 28 -14.013 -5.833 -5.635 177 HB2 ALA 28 2HB ALA 28 -12.784 -4.578 -5.885 178 HB3 ALA 28 3HB ALA 28 -13.291 -5.626 -7.222 179 H THR 29 H THR 29 -10.297 -4.673 -5.623 180 HA THR 29 HA THR 29 -8.436 -5.743 -7.645 181 HB THR 29 HB THR 29 -9.785 -3.012 -7.835 182 HG1 THR 29 1HG THR 29 -9.905 -5.321 -9.488 183 HG21 THR 29 3HG2 THR 29 -8.556 -2.724 -9.962 184 HG22 THR 29 1HG2 THR 29 -7.622 -4.197 -9.613 185 HG23 THR 29 2HG2 THR 29 -7.472 -2.769 -8.565 186 H LEU 30 H LEU 30 -6.417 -5.412 -7.090 187 HA LEU 30 HA LEU 30 -5.726 -3.200 -5.264 188 HB3 LEU 30 2HB LEU 30 -4.212 -5.823 -5.495 189 HG LEU 30 HG LEU 30 -3.679 -5.476 -3.109 190 HD11 LEU 30 1HD1 LEU 30 -1.907 -3.933 -3.321 191 HD12 LEU 30 2HD1 LEU 30 -2.696 -3.057 -4.645 192 HD13 LEU 30 3HD1 LEU 30 -2.091 -4.712 -4.898 193 HD21 LEU 30 3HD2 LEU 30 -3.945 -3.304 -2.005 194 HD22 LEU 30 1HD2 LEU 30 -5.475 -4.101 -2.344 195 HD23 LEU 30 2HD2 LEU 30 -4.942 -2.731 -3.340 196 H TYR 31 H TYR 31 -4.022 -1.991 -6.027 197 HA TYR 31 HA TYR 31 -2.172 -2.763 -8.044 198 HB3 TYR 31 2HB TYR 31 -4.100 -2.192 -9.560 199 HD1 TYR 31 1HD TYR 31 -5.089 -0.419 -7.024 200 HD2 TYR 31 2HD TYR 31 -3.826 0.503 -11.017 201 HE1 TYR 31 1HE TYR 31 -6.620 1.476 -7.022 202 HE2 TYR 31 2HE TYR 31 -5.345 2.463 -11.004 203 HH TYR 31 HH TYR 31 -7.691 3.024 -8.357 204 H VAL 32 H VAL 32 -0.890 -0.589 -8.554 205 HA VAL 32 HA VAL 32 -0.924 1.122 -6.129 206 HB VAL 32 HB VAL 32 1.532 0.266 -7.706 207 HG11 VAL 32 1HG1 VAL 32 2.002 2.252 -6.856 208 HG12 VAL 32 2HG1 VAL 32 1.291 1.900 -5.254 209 HG13 VAL 32 3HG1 VAL 32 2.789 1.090 -5.809 210 HG21 VAL 32 3HG2 VAL 32 2.125 -1.084 -5.667 211 HG22 VAL 32 1HG2 VAL 32 0.583 -0.658 -4.925 212 HG23 VAL 32 2HG2 VAL 32 0.649 -1.721 -6.361 213 H GLN 33 H GLN 33 -0.923 3.272 -6.675 214 HA GLN 33 HA GLN 33 -0.923 3.874 -9.610 215 HB3 GLN 33 2HB GLN 33 -2.083 5.950 -8.968 216 HG3 GLN 33 2HG GLN 33 -3.686 3.704 -7.758 217 HE21 GLN 33 1HE2 GLN 33 -5.015 5.655 -7.243 218 HE22 GLN 33 2HE2 GLN 33 -6.054 6.268 -8.509 219 H VAL 34 H VAL 34 1.264 3.795 -7.131 220 HA VAL 34 HA VAL 34 3.064 5.748 -8.206 221 HB VAL 34 HB VAL 34 1.669 7.406 -7.343 222 HG11 VAL 34 1HG1 VAL 34 0.104 6.241 -5.946 223 HG12 VAL 34 2HG1 VAL 34 1.392 5.849 -4.794 224 HG13 VAL 34 3HG1 VAL 34 0.855 7.528 -4.992 225 HG21 VAL 34 3HG2 VAL 34 3.768 6.987 -5.194 226 HG22 VAL 34 1HG2 VAL 34 4.029 7.784 -6.755 227 HG23 VAL 34 2HG2 VAL 34 2.937 8.504 -5.566 228 H TYR 35 H TYR 35 4.951 4.807 -7.799 229 HA TYR 35 HA TYR 35 5.292 3.149 -5.362 230 HB3 TYR 35 2HB TYR 35 5.597 2.278 -8.259 231 HD1 TYR 35 1HD TYR 35 6.694 1.035 -4.840 232 HD2 TYR 35 2HD TYR 35 7.600 1.362 -9.050 233 HE1 TYR 35 1HE TYR 35 8.845 -0.140 -4.484 234 HE2 TYR 35 2HE TYR 35 9.695 0.139 -8.702 235 HH TYR 35 HH TYR 35 10.893 -1.214 -7.175 236 H GLU 36 H GLU 36 6.907 3.618 -4.399 237 HA GLU 36 HA GLU 36 9.044 5.235 -5.584 238 HB3 GLU 36 2HB GLU 36 8.462 6.292 -3.699 239 HG3 GLU 36 2HG GLU 36 7.853 5.140 -1.588 240 H SER 37 H SER 37 10.289 3.847 -6.777 241 HA SER 37 HA SER 37 11.618 1.594 -5.510 242 HB3 SER 37 2HB SER 37 11.599 1.240 -7.735 243 HG SER 37 HG SER 37 11.553 2.711 -9.301 244 H SER 38 H SER 38 11.762 4.726 -4.646 245 HA SER 38 HA SER 38 14.701 4.744 -4.137 246 HB3 SER 38 2HB SER 38 14.847 6.932 -4.738 247 HG SER 38 HG SER 38 12.376 6.720 -6.044 248 H LEU 39 H LEU 39 11.674 4.491 -2.581 249 HA LEU 39 HA LEU 39 12.693 5.166 0.009 250 HB3 LEU 39 2HB LEU 39 10.573 6.497 0.531 251 HG LEU 39 HG LEU 39 12.455 7.855 -1.437 252 HD11 LEU 39 1HD1 LEU 39 10.439 9.023 0.517 253 HD12 LEU 39 2HD1 LEU 39 10.379 9.094 -1.256 254 HD13 LEU 39 3HD1 LEU 39 11.651 9.957 -0.384 255 HD21 LEU 39 3HD2 LEU 39 13.689 7.059 0.528 256 HD22 LEU 39 1HD2 LEU 39 12.448 7.723 1.618 257 HD23 LEU 39 2HD2 LEU 39 13.477 8.800 0.654 258 H GLU 40 H GLU 40 10.308 4.621 1.439 259 HA GLU 40 HA GLU 40 9.462 2.040 0.305 260 HB3 GLU 40 2HB GLU 40 9.604 0.989 2.447 261 HG3 GLU 40 2HG GLU 40 11.737 1.064 0.963 262 H SER 41 H SER 41 7.651 3.356 -0.497 263 HA SER 41 HA SER 41 5.668 3.972 1.609 264 HB3 SER 41 2HB SER 41 5.737 5.821 -0.678 265 HG SER 41 HG SER 41 6.126 7.267 1.286 266 H LEU 42 H LEU 42 3.400 3.932 0.629 267 HA LEU 42 HA LEU 42 3.251 2.751 -2.086 268 HB3 LEU 42 2HB LEU 42 2.135 1.254 0.339 269 HG LEU 42 HG LEU 42 2.043 -0.660 -1.195 270 HD11 LEU 42 1HD1 LEU 42 -0.037 0.852 -0.968 271 HD12 LEU 42 2HD1 LEU 42 0.047 -0.306 -2.301 272 HD13 LEU 42 3HD1 LEU 42 0.348 1.405 -2.605 273 HD21 LEU 42 3HD2 LEU 42 3.790 0.336 -2.779 274 HD22 LEU 42 1HD2 LEU 42 2.476 1.222 -3.509 275 HD23 LEU 42 2HD2 LEU 42 2.430 -0.568 -3.485 276 H VAL 43 H VAL 43 1.588 4.073 -2.970 277 HA VAL 43 HA VAL 43 -0.987 4.109 -1.483 278 HB VAL 43 HB VAL 43 0.230 6.385 -3.083 279 HG11 VAL 43 1HG1 VAL 43 -1.761 7.703 -2.465 280 HG12 VAL 43 2HG1 VAL 43 -2.179 6.367 -3.531 281 HG13 VAL 43 3HG1 VAL 43 -2.510 6.249 -1.783 282 HG21 VAL 43 3HG2 VAL 43 -0.544 6.264 -0.197 283 HG22 VAL 43 1HG2 VAL 43 1.124 6.236 -0.800 284 HG23 VAL 43 2HG2 VAL 43 0.126 7.672 -1.037 285 H GLY 44 H GLY 44 -2.726 3.578 -2.586 286 HA2 GLY 44 1HA GLY 44 -3.222 4.095 -5.355 287 HA3 GLY 44 2HA GLY 44 -2.805 2.396 -5.144 288 H GLY 45 H GLY 45 -4.526 4.038 -2.397 289 HA2 GLY 45 1HA GLY 45 -6.219 3.197 -1.300 290 HA3 GLY 45 2HA GLY 45 -7.129 3.409 -2.817 291 H VAL 46 H VAL 46 -8.403 1.570 -2.159 292 HA VAL 46 HA VAL 46 -7.559 -0.844 -3.408 293 HB VAL 46 HB VAL 46 -6.373 -1.287 -1.392 294 HG11 VAL 46 1HG1 VAL 46 -7.092 -1.151 0.795 295 HG12 VAL 46 2HG1 VAL 46 -7.491 0.403 0.110 296 HG13 VAL 46 3HG1 VAL 46 -8.779 -0.794 0.366 297 HG21 VAL 46 3HG2 VAL 46 -7.324 -3.285 -0.540 298 HG22 VAL 46 1HG2 VAL 46 -8.942 -2.851 -1.129 299 HG23 VAL 46 2HG2 VAL 46 -7.618 -3.185 -2.280 300 H ILE 47 H ILE 47 -9.364 -2.078 -3.955 301 HA ILE 47 HA ILE 47 -11.980 -0.725 -3.526 302 HB ILE 47 HB ILE 47 -10.931 -2.265 -5.949 303 HG13 ILE 47 2HG1 ILE 47 -10.841 0.695 -5.347 304 HG21 ILE 47 1HG2 ILE 47 -13.370 -0.471 -5.721 305 HG22 ILE 47 2HG2 ILE 47 -12.878 -1.428 -7.126 306 HG23 ILE 47 3HG2 ILE 47 -13.416 -2.251 -5.667 307 HD11 ILE 47 3HD1 ILE 47 -8.848 0.628 -6.824 308 HD12 ILE 47 1HD1 ILE 47 -8.646 -0.521 -5.509 309 HD13 ILE 47 2HD1 ILE 47 -9.101 -1.085 -7.128 310 H PHE 48 H PHE 48 -13.406 -2.067 -2.457 311 HA PHE 48 HA PHE 48 -12.795 -4.967 -2.100 312 HB3 PHE 48 2HB PHE 48 -15.129 -4.462 -0.755 313 HD1 PHE 48 2HD PHE 48 -11.413 -3.927 -0.415 314 HD2 PHE 48 1HD PHE 48 -15.128 -4.997 1.523 315 HE1 PHE 48 2HE PHE 48 -10.176 -4.594 1.600 316 HE2 PHE 48 1HE PHE 48 -13.880 -5.672 3.533 317 HZ PHE 48 HZ PHE 48 -11.410 -5.446 3.599 318 H GLU 49 H GLU 49 -14.499 -6.542 -2.615 319 HA GLU 49 HA GLU 49 -15.996 -6.198 -5.007 320 HB3 GLU 49 2HB GLU 49 -17.300 -8.207 -3.898 321 HG3 GLU 49 2HG GLU 49 -15.207 -9.670 -4.259 322 H ASP 50 H ASP 50 -16.754 -5.529 -1.689 323 HA ASP 50 HA ASP 50 -19.615 -5.459 -2.051 324 HB3 ASP 50 2HB ASP 50 -18.222 -4.420 0.403 325 H GLY 51 H GLY 51 -17.387 -3.244 -2.949 326 HA2 GLY 51 1HA GLY 51 -17.690 -1.148 -3.789 327 HA3 GLY 51 2HA GLY 51 -19.328 -1.104 -3.126 328 H ARG 52 H ARG 52 -15.937 -1.133 -1.903 329 HA ARG 52 HA ARG 52 -16.495 1.128 -0.101 330 HB3 ARG 52 2HB ARG 52 -15.537 0.041 1.792 331 HG3 ARG 52 2HG ARG 52 -17.555 -1.893 0.558 332 HD3 ARG 52 2HD ARG 52 -16.261 -3.055 2.283 333 HE ARG 52 HE ARG 52 -16.594 -0.589 3.759 334 HH11 ARG 52 1HH1 ARG 52 -16.585 -4.116 4.357 335 HH12 ARG 52 2HH1 ARG 52 -15.880 -3.953 5.930 336 HH21 ARG 52 1HH2 ARG 52 -15.374 -0.468 5.702 337 HH22 ARG 52 2HH2 ARG 52 -15.145 -1.891 6.682 338 H HIS 53 H HIS 53 -15.236 2.337 -1.625 339 HA HIS 53 HA HIS 53 -12.488 1.430 -2.232 340 HB3 HIS 53 2HB HIS 53 -13.915 3.992 -2.984 341 HD1 HIS 53 1HD HIS 53 -12.719 5.422 -4.900 342 HD2 HIS 53 2HD HIS 53 -10.481 2.172 -3.398 343 HE1 HIS 53 1HE HIS 53 -10.359 5.698 -5.770 344 H TYR 54 H TYR 54 -10.831 1.924 -0.859 345 HA TYR 54 HA TYR 54 -11.093 4.312 0.913 346 HB3 TYR 54 2HB TYR 54 -9.585 3.011 2.465 347 HD1 TYR 54 2HD TYR 54 -11.473 4.108 3.671 348 HD2 TYR 54 1HD TYR 54 -11.947 0.304 1.750 349 HE1 TYR 54 2HE TYR 54 -13.423 3.659 5.105 350 HE2 TYR 54 1HE TYR 54 -13.827 -0.235 3.255 351 HH TYR 54 HH TYR 54 -14.833 2.010 5.923 352 H THR 55 H THR 55 -9.210 5.588 0.981 353 HA THR 55 HA THR 55 -6.943 5.015 -0.872 354 HB THR 55 HB THR 55 -6.216 7.259 -0.018 355 HG1 THR 55 1HG THR 55 -7.294 7.700 1.781 356 HG21 THR 55 3HG2 THR 55 -8.950 7.076 -1.318 357 HG22 THR 55 1HG2 THR 55 -7.386 6.986 -2.153 358 HG23 THR 55 2HG2 THR 55 -7.878 8.495 -1.367 359 H PHE 56 H PHE 56 -4.736 5.058 0.207 360 HA PHE 56 HA PHE 56 -4.514 3.994 2.873 361 HB3 PHE 56 2HB PHE 56 -3.321 2.147 0.925 362 HD1 PHE 56 1HD PHE 56 -6.340 2.168 3.196 363 HD2 PHE 56 2HD PHE 56 -2.640 0.286 2.114 364 HE1 PHE 56 1HE PHE 56 -6.608 0.565 5.080 365 HE2 PHE 56 2HE PHE 56 -2.978 -1.415 3.897 366 HZ PHE 56 HZ PHE 56 -4.940 -1.245 5.417 367 H VAL 57 H VAL 57 -2.575 4.811 3.529 368 HA VAL 57 HA VAL 57 -0.432 5.135 1.561 369 HB VAL 57 HB VAL 57 -1.394 7.328 1.568 370 HG11 VAL 57 1HG1 VAL 57 -1.616 8.777 3.462 371 HG12 VAL 57 2HG1 VAL 57 -2.580 7.315 3.741 372 HG13 VAL 57 3HG1 VAL 57 -1.004 7.524 4.550 373 HG21 VAL 57 3HG2 VAL 57 1.100 7.082 1.568 374 HG22 VAL 57 1HG2 VAL 57 0.549 8.644 2.195 375 HG23 VAL 57 2HG2 VAL 57 1.113 7.386 3.310 376 H TYR 58 H TYR 58 1.016 3.893 2.231 377 HA TYR 58 HA TYR 58 1.509 3.454 5.139 378 HB3 TYR 58 2HB TYR 58 2.601 1.982 2.695 379 HD1 TYR 58 1HD TYR 58 2.447 2.084 6.497 380 HD2 TYR 58 2HD TYR 58 4.369 0.440 2.983 381 HE1 TYR 58 1HE TYR 58 4.216 1.159 7.901 382 HE2 TYR 58 2HE TYR 58 6.150 -0.513 4.425 383 HH TYR 58 HH TYR 58 6.655 0.614 7.564 384 H GLU 59 H GLU 59 2.785 5.063 5.884 385 HA GLU 59 HA GLU 59 5.090 5.960 4.230 386 HB3 GLU 59 2HB GLU 59 3.596 7.768 4.122 387 HG3 GLU 59 2HG GLU 59 2.868 7.090 6.916 388 H ASN 60 H ASN 60 6.582 4.658 5.188 389 HA ASN 60 HA ASN 60 8.160 3.989 6.610 390 HB3 ASN 60 2HB ASN 60 7.319 6.112 8.610 391 HD21 ASN 60 1HD2 ASN 60 8.442 5.228 10.397 392 HD22 ASN 60 2HD2 ASN 60 10.131 4.723 10.296 393 H GLU 61 H GLU 61 5.584 4.916 8.846 394 HA GLU 61 HA GLU 61 5.131 2.188 9.815 395 HB3 GLU 61 2HB GLU 61 5.479 2.989 12.185 396 HG3 GLU 61 2HG GLU 61 7.937 3.025 10.412 397 H ASP 62 H ASP 62 4.014 5.370 9.082 398 HA ASP 62 HA ASP 62 1.506 5.177 10.630 399 HB3 ASP 62 2HB ASP 62 1.256 7.161 8.703 400 H LEU 63 H LEU 63 0.217 3.501 9.755 401 HA LEU 63 HA LEU 63 -0.004 3.468 6.778 402 HB3 LEU 63 2HB LEU 63 -1.244 1.365 8.528 403 HG LEU 63 HG LEU 63 0.132 1.083 5.828 404 HD11 LEU 63 1HD1 LEU 63 -2.113 -0.393 7.210 405 HD12 LEU 63 2HD1 LEU 63 -0.414 -0.907 7.173 406 HD13 LEU 63 3HD1 LEU 63 -1.360 -0.880 5.663 407 HD21 LEU 63 3HD2 LEU 63 -1.612 2.781 5.338 408 HD22 LEU 63 1HD2 LEU 63 -2.845 1.725 6.060 409 HD23 LEU 63 2HD2 LEU 63 -1.968 1.249 4.596 410 H VAL 64 H VAL 64 -1.119 5.358 6.646 411 HA VAL 64 HA VAL 64 -3.582 5.755 8.224 412 HB VAL 64 HB VAL 64 -2.645 7.571 6.005 413 HG11 VAL 64 1HG1 VAL 64 -3.540 9.317 7.540 414 HG12 VAL 64 2HG1 VAL 64 -4.743 8.170 6.960 415 HG13 VAL 64 3HG1 VAL 64 -4.116 8.010 8.611 416 HG21 VAL 64 3HG2 VAL 64 -1.250 8.877 7.551 417 HG22 VAL 64 1HG2 VAL 64 -1.446 7.629 8.796 418 HG23 VAL 64 2HG2 VAL 64 -0.572 7.285 7.278 419 H TYR 65 H TYR 65 -5.637 6.111 7.116 420 HA TYR 65 HA TYR 65 -5.909 5.494 4.290 421 HB3 TYR 65 2HB TYR 65 -5.828 3.252 5.163 422 HD1 TYR 65 1HD TYR 65 -9.121 4.234 6.661 423 HD2 TYR 65 2HD TYR 65 -5.169 2.632 7.352 424 HE1 TYR 65 1HE TYR 65 -9.768 3.611 8.975 425 HE2 TYR 65 2HE TYR 65 -5.797 2.048 9.653 426 HH TYR 65 HH TYR 65 -7.433 2.606 11.360 427 H GLU 66 H GLU 66 -8.299 5.798 3.661 428 HA GLU 66 HA GLU 66 -10.155 6.615 5.610 429 HB3 GLU 66 2HB GLU 66 -9.877 8.973 3.824 430 HG3 GLU 66 2HG GLU 66 -10.076 8.427 6.823 431 H GLU 67 H GLU 67 -12.252 7.412 4.362 432 HA GLU 67 HA GLU 67 -12.754 5.534 2.184 433 HB3 GLU 67 2HB GLU 67 -14.424 7.846 3.278 434 HG3 GLU 67 2HG GLU 67 -15.289 5.300 1.811 435 H GLU 68 H GLU 68 -13.024 6.106 -0.030 436 HA GLU 68 HA GLU 68 -11.891 8.701 -0.864 437 HB3 GLU 68 2HB GLU 68 -13.116 6.951 -2.924 438 HG3 GLU 68 2HG GLU 68 -10.695 7.165 -3.776 439 H VAL 69 H VAL 69 -13.164 10.401 -0.628 440 HA VAL 69 HA VAL 69 -15.853 10.443 -1.748 441 HB VAL 69 HB VAL 69 -16.352 12.064 0.303 442 HG11 VAL 69 1HG1 VAL 69 -17.649 10.288 1.353 443 HG12 VAL 69 2HG1 VAL 69 -17.765 10.231 -0.412 444 HG13 VAL 69 3HG1 VAL 69 -16.728 9.058 0.446 445 HG21 VAL 69 3HG2 VAL 69 -14.735 9.907 1.717 446 HG22 VAL 69 1HG2 VAL 69 -14.190 11.582 1.485 447 HG23 VAL 69 2HG2 VAL 69 -15.639 11.254 2.448 448 H LEU 70 H LEU 70 -15.691 11.879 -3.186 449 HA LEU 70 HA LEU 70 -13.973 14.302 -2.888 450 HB3 LEU 70 2HB LEU 70 -13.217 13.181 -4.861 451 HG LEU 70 HG LEU 70 -16.140 13.002 -5.705 452 HD11 LEU 70 1HD1 LEU 70 -15.071 14.326 -7.427 453 HD12 LEU 70 2HD1 LEU 70 -15.405 12.695 -8.025 454 HD13 LEU 70 3HD1 LEU 70 -13.743 13.162 -7.553 455 HD21 LEU 70 3HD2 LEU 70 -13.964 11.028 -6.379 456 HD22 LEU 70 1HD2 LEU 70 -15.704 10.763 -6.188 457 HD23 LEU 70 2HD2 LEU 70 -14.652 11.002 -4.777 Start of MODEL 2 1 H1 GLY 1 H GLY 1 32.384 0.062 1.134 2 HA2 GLY 1 1HA GLY 1 32.748 2.392 2.034 3 HA3 GLY 1 2HA GLY 1 32.120 2.931 0.456 4 H ASP 2 H ASP 2 30.081 3.757 0.914 5 HA ASP 2 HA ASP 2 28.258 2.545 2.826 6 HB3 ASP 2 2HB ASP 2 28.473 5.012 2.497 7 H ASP 3 H ASP 3 29.102 2.088 -0.408 8 HA ASP 3 HA ASP 3 26.801 1.929 -1.928 9 HB3 ASP 3 2HB ASP 3 29.162 2.263 -2.658 10 H ARG 4 H ARG 4 27.250 -0.268 0.532 11 HA ARG 4 HA ARG 4 26.853 -2.696 -1.167 12 HB3 ARG 4 2HB ARG 4 27.843 -2.580 1.704 13 HG3 ARG 4 2HG ARG 4 28.678 -4.455 -0.534 14 HD3 ARG 4 2HD ARG 4 29.939 -4.271 1.694 15 HE ARG 4 HE ARG 4 27.563 -4.438 2.920 16 HH11 ARG 4 1HH1 ARG 4 30.235 -6.775 2.861 17 HH12 ARG 4 2HH1 ARG 4 29.547 -7.806 4.080 18 HH21 ARG 4 1HH2 ARG 4 26.869 -5.586 4.815 19 HH22 ARG 4 2HH2 ARG 4 27.602 -7.078 5.249 20 H LYS 5 H LYS 5 24.420 -1.588 -1.046 21 HA LYS 5 HA LYS 5 22.880 -2.935 0.951 22 HB3 LYS 5 2HB LYS 5 22.840 0.084 1.021 23 HG3 LYS 5 2HG LYS 5 22.206 -2.110 3.044 24 HD3 LYS 5 2HD LYS 5 22.401 0.908 3.413 25 HE3 LYS 5 2HE LYS 5 21.510 -1.363 5.239 26 HZ1 LYS 5 3HZ LYS 5 23.052 -0.082 6.437 27 HZ2 LYS 5 1HZ LYS 5 21.567 0.403 6.952 28 HZ3 LYS 5 2HZ LYS 5 22.443 1.351 5.902 29 H LEU 6 H LEU 6 20.707 -2.973 0.448 30 HA LEU 6 HA LEU 6 19.783 -1.529 -1.979 31 HB3 LEU 6 2HB LEU 6 18.692 -3.659 -2.615 32 HG LEU 6 HG LEU 6 21.649 -4.150 -2.051 33 HD11 LEU 6 1HD1 LEU 6 20.391 -6.193 -2.529 34 HD12 LEU 6 2HD1 LEU 6 21.508 -5.801 -3.846 35 HD13 LEU 6 3HD1 LEU 6 19.770 -5.483 -4.037 36 HD21 LEU 6 3HD2 LEU 6 22.039 -3.425 -4.348 37 HD22 LEU 6 1HD2 LEU 6 21.322 -2.117 -3.427 38 HD23 LEU 6 2HD2 LEU 6 20.308 -3.066 -4.559 39 H MET 7 H MET 7 17.297 -1.873 -2.179 40 HA MET 7 HA MET 7 15.997 -1.461 0.454 41 HB3 MET 7 2HB MET 7 16.310 0.674 -0.554 42 HG3 MET 7 2HG MET 7 15.245 -0.522 -3.125 43 HE1 MET 7 3HE MET 7 12.657 2.198 -3.441 44 HE2 MET 7 1HE MET 7 13.154 0.554 -3.867 45 HE3 MET 7 2HE MET 7 12.921 0.999 -2.158 46 H LYS 8 H LYS 8 13.523 -1.384 0.077 47 HA LYS 8 HA LYS 8 12.576 -3.976 -0.646 48 HB3 LYS 8 2HB LYS 8 10.346 -2.910 -0.263 49 HG3 LYS 8 2HG LYS 8 12.274 -2.069 1.927 50 HD3 LYS 8 2HD LYS 8 9.479 -3.154 2.317 51 HE3 LYS 8 2HE LYS 8 9.380 -1.120 3.905 52 HZ1 LYS 8 3HZ LYS 8 9.988 -3.558 4.555 53 HZ2 LYS 8 1HZ LYS 8 9.957 -2.328 5.621 54 HZ3 LYS 8 2HZ LYS 8 11.412 -2.841 5.018 55 H THR 9 H THR 9 10.827 -4.412 -2.229 56 HA THR 9 HA THR 9 11.289 -3.171 -4.858 57 HB THR 9 HB THR 9 9.925 -5.296 -5.472 58 HG1 THR 9 1HG THR 9 10.264 -6.897 -3.635 59 HG21 THR 9 3HG2 THR 9 12.598 -5.684 -4.068 60 HG22 THR 9 1HG2 THR 9 12.367 -5.170 -5.750 61 HG23 THR 9 2HG2 THR 9 11.850 -6.786 -5.245 62 H GLN 10 H GLN 10 9.119 -3.230 -6.249 63 HA GLN 10 HA GLN 10 6.977 -1.812 -4.913 64 HB3 GLN 10 2HB GLN 10 6.937 -3.382 -7.519 65 HG3 GLN 10 2HG GLN 10 5.149 -1.125 -6.546 66 HE21 GLN 10 1HE2 GLN 10 2.935 -2.571 -8.012 67 HE22 GLN 10 2HE2 GLN 10 3.169 -2.034 -9.671 68 H GLU 11 H GLU 11 7.640 -5.296 -5.778 69 HA GLU 11 HA GLU 11 5.263 -6.332 -4.923 70 HB3 GLU 11 2HB GLU 11 7.902 -7.788 -4.516 71 HG3 GLU 11 2HG GLU 11 5.096 -8.439 -5.504 72 H GLU 12 H GLU 12 8.222 -5.852 -2.883 73 HA GLU 12 HA GLU 12 7.334 -6.685 -0.396 74 HB3 GLU 12 2HB GLU 12 8.739 -4.558 0.360 75 HG3 GLU 12 2HG GLU 12 10.829 -5.788 -0.799 76 H LEU 13 H LEU 13 7.015 -3.355 -1.707 77 HA LEU 13 HA LEU 13 5.529 -2.306 0.480 78 HB3 LEU 13 2HB LEU 13 4.748 -0.715 -1.560 79 HG LEU 13 HG LEU 13 6.169 0.429 -0.222 80 HD11 LEU 13 1HD1 LEU 13 8.531 -0.059 0.169 81 HD12 LEU 13 2HD1 LEU 13 8.397 -1.574 -0.753 82 HD13 LEU 13 3HD1 LEU 13 7.506 -1.342 0.782 83 HD21 LEU 13 3HD2 LEU 13 6.431 0.941 -2.659 84 HD22 LEU 13 1HD2 LEU 13 7.847 -0.136 -2.699 85 HD23 LEU 13 2HD2 LEU 13 7.876 1.350 -1.727 86 H THR 14 H THR 14 4.422 -3.927 -2.481 87 HA THR 14 HA THR 14 1.605 -3.496 -1.986 88 HB THR 14 HB THR 14 2.859 -5.766 -3.593 89 HG1 THR 14 1HG THR 14 3.785 -3.806 -4.269 90 HG21 THR 14 3HG2 THR 14 0.325 -4.146 -4.080 91 HG22 THR 14 1HG2 THR 14 0.339 -5.723 -3.266 92 HG23 THR 14 2HG2 THR 14 0.856 -5.603 -4.946 93 H GLU 15 H GLU 15 3.943 -6.110 -1.202 94 HA GLU 15 HA GLU 15 2.048 -7.966 -0.196 95 HB3 GLU 15 2HB GLU 15 4.331 -8.851 0.883 96 HG3 GLU 15 2HG GLU 15 5.041 -9.757 -1.349 97 H ILE 16 H ILE 16 3.989 -5.438 1.414 98 HA ILE 16 HA ILE 16 3.347 -6.213 4.091 99 HB ILE 16 HB ILE 16 3.847 -3.437 2.878 100 HG13 ILE 16 2HG1 ILE 16 5.747 -5.263 2.862 101 HG21 ILE 16 1HG2 ILE 16 2.674 -3.167 5.041 102 HG22 ILE 16 2HG2 ILE 16 3.832 -4.255 5.824 103 HG23 ILE 16 3HG2 ILE 16 4.349 -2.671 5.209 104 HD11 ILE 16 3HD1 ILE 16 6.390 -2.618 4.225 105 HD12 ILE 16 1HD1 ILE 16 7.467 -3.649 3.274 106 HD13 ILE 16 2HD1 ILE 16 6.144 -2.799 2.476 107 H VAL 17 H VAL 17 1.789 -3.673 2.023 108 HA VAL 17 HA VAL 17 -0.324 -3.225 3.803 109 HB VAL 17 HB VAL 17 -0.358 -2.898 0.769 110 HG11 VAL 17 1HG1 VAL 17 -2.048 -1.582 2.953 111 HG12 VAL 17 2HG1 VAL 17 -2.059 -1.143 1.233 112 HG13 VAL 17 3HG1 VAL 17 -2.653 -2.733 1.748 113 HG21 VAL 17 3HG2 VAL 17 0.532 -1.011 3.005 114 HG22 VAL 17 1HG2 VAL 17 1.535 -1.648 1.685 115 HG23 VAL 17 2HG2 VAL 17 0.249 -0.507 1.331 116 H ARG 18 H ARG 18 -0.237 -5.529 1.001 117 HA ARG 18 HA ARG 18 -2.949 -6.349 1.302 118 HB3 ARG 18 2HB ARG 18 -0.698 -8.077 0.234 119 HG3 ARG 18 2HG ARG 18 -3.437 -7.540 -0.936 120 HD3 ARG 18 2HD ARG 18 -1.773 -10.085 -0.896 121 HE ARG 18 HE ARG 18 -4.305 -9.300 -2.153 122 HH11 ARG 18 1HH1 ARG 18 -1.623 -11.682 -2.188 123 HH12 ARG 18 2HH1 ARG 18 -2.629 -12.957 -2.782 124 HH21 ARG 18 1HH2 ARG 18 -5.616 -11.137 -2.866 125 HH22 ARG 18 2HH2 ARG 18 -4.832 -12.589 -3.326 126 H ASP 19 H ASP 19 0.107 -7.712 2.745 127 HA ASP 19 HA ASP 19 -1.038 -10.013 3.964 128 HB3 ASP 19 2HB ASP 19 1.274 -8.235 4.848 129 H HIS 20 H HIS 20 -0.983 -6.622 4.813 130 HA HIS 20 HA HIS 20 -2.097 -7.090 7.517 131 HB3 HIS 20 2HB HIS 20 -2.031 -4.490 7.468 132 HD1 HIS 20 1HD HIS 20 -0.308 -3.839 9.233 133 HD2 HIS 20 2HD HIS 20 1.061 -6.743 6.521 134 HE1 HIS 20 1HE HIS 20 2.055 -4.457 9.963 135 H PHE 21 H PHE 21 -3.492 -7.266 4.611 136 HA PHE 21 HA PHE 21 -5.982 -6.016 5.600 137 HB3 PHE 21 2HB PHE 21 -5.467 -5.891 2.669 138 HD1 PHE 21 2HD PHE 21 -5.993 -4.061 5.906 139 HD2 PHE 21 1HD PHE 21 -6.619 -4.069 1.662 140 HE1 PHE 21 2HE PHE 21 -7.360 -2.018 6.097 141 HE2 PHE 21 1HE PHE 21 -8.248 -2.172 1.915 142 HZ PHE 21 HZ PHE 21 -8.558 -1.109 4.131 143 H SER 22 H SER 22 -4.806 -8.977 4.433 144 HA SER 22 HA SER 22 -7.268 -9.810 3.222 145 HB3 SER 22 2HB SER 22 -5.030 -11.057 3.243 146 HG SER 22 HG SER 22 -4.395 -11.742 5.106 147 H ASP 23 H ASP 23 -6.485 -8.895 6.515 148 HA ASP 23 HA ASP 23 -8.700 -10.572 7.602 149 HB3 ASP 23 2HB ASP 23 -7.936 -9.621 9.777 150 H MET 24 H MET 24 -8.556 -7.634 6.063 151 HA MET 24 HA MET 24 -10.745 -6.478 7.719 152 HB3 MET 24 2HB MET 24 -9.883 -4.240 6.969 153 HG3 MET 24 2HG MET 24 -7.951 -5.895 8.631 154 HE1 MET 24 3HE MET 24 -6.122 -4.833 9.698 155 HE2 MET 24 1HE MET 24 -5.962 -4.058 8.109 156 HE3 MET 24 2HE MET 24 -5.761 -3.095 9.590 157 H GLY 25 H GLY 25 -10.432 -8.170 5.002 158 HA2 GLY 25 1HA GLY 25 -12.861 -8.307 4.335 159 HA3 GLY 25 2HA GLY 25 -12.694 -6.653 3.747 160 H GLU 26 H GLU 26 -13.550 -7.668 1.833 161 HA GLU 26 HA GLU 26 -11.746 -9.344 0.259 162 HB3 GLU 26 2HB GLU 26 -13.912 -10.218 0.769 163 HG3 GLU 26 2HG GLU 26 -15.091 -8.263 -1.160 164 H ILE 27 H ILE 27 -10.464 -7.928 -0.326 165 HA ILE 27 HA ILE 27 -10.846 -5.467 -1.826 166 HB ILE 27 HB ILE 27 -8.368 -7.245 -1.746 167 HG13 ILE 27 2HG1 ILE 27 -9.383 -5.202 0.183 168 HG21 ILE 27 1HG2 ILE 27 -8.893 -4.404 -2.728 169 HG22 ILE 27 2HG2 ILE 27 -7.280 -5.071 -2.459 170 HG23 ILE 27 3HG2 ILE 27 -8.307 -5.792 -3.680 171 HD11 ILE 27 3HD1 ILE 27 -8.653 -7.480 0.982 172 HD12 ILE 27 1HD1 ILE 27 -7.003 -7.132 0.400 173 HD13 ILE 27 2HD1 ILE 27 -7.718 -6.191 1.704 174 H ALA 28 H ALA 28 -10.956 -5.261 -4.027 175 HA ALA 28 HA ALA 28 -11.313 -7.662 -5.738 176 HB1 ALA 28 1HB ALA 28 -12.171 -4.733 -6.112 177 HB2 ALA 28 2HB ALA 28 -12.424 -6.032 -7.286 178 HB3 ALA 28 3HB ALA 28 -13.239 -6.100 -5.718 179 H THR 29 H THR 29 -9.934 -4.369 -5.562 180 HA THR 29 HA THR 29 -7.845 -5.099 -7.528 181 HB THR 29 HB THR 29 -9.393 -2.491 -7.604 182 HG1 THR 29 1HG THR 29 -10.710 -4.181 -8.245 183 HG21 THR 29 3HG2 THR 29 -7.464 -3.736 -9.607 184 HG22 THR 29 1HG2 THR 29 -7.091 -2.373 -8.535 185 HG23 THR 29 2HG2 THR 29 -8.329 -2.205 -9.790 186 H LEU 30 H LEU 30 -6.221 -5.269 -6.183 187 HA LEU 30 HA LEU 30 -5.472 -3.010 -4.433 188 HB3 LEU 30 2HB LEU 30 -4.222 -5.784 -4.616 189 HG LEU 30 HG LEU 30 -3.698 -5.540 -2.254 190 HD11 LEU 30 1HD1 LEU 30 -2.522 -3.147 -3.704 191 HD12 LEU 30 2HD1 LEU 30 -2.032 -4.844 -3.968 192 HD13 LEU 30 3HD1 LEU 30 -1.830 -4.113 -2.365 193 HD21 LEU 30 3HD2 LEU 30 -4.666 -2.665 -2.418 194 HD22 LEU 30 1HD2 LEU 30 -3.829 -3.429 -1.053 195 HD23 LEU 30 2HD2 LEU 30 -5.430 -4.014 -1.523 196 H TYR 31 H TYR 31 -4.104 -1.587 -5.665 197 HA TYR 31 HA TYR 31 -1.974 -2.867 -7.167 198 HB3 TYR 31 2HB TYR 31 -4.004 -2.420 -8.793 199 HD1 TYR 31 1HD TYR 31 -4.815 -0.089 -7.183 200 HD2 TYR 31 2HD TYR 31 -2.197 -0.178 -10.587 201 HE1 TYR 31 1HE TYR 31 -5.525 2.172 -7.727 202 HE2 TYR 31 2HE TYR 31 -2.781 2.160 -11.090 203 HH TYR 31 HH TYR 31 -5.152 4.003 -9.206 204 H VAL 32 H VAL 32 -0.721 -0.777 -8.183 205 HA VAL 32 HA VAL 32 -0.633 1.247 -6.022 206 HB VAL 32 HB VAL 32 1.706 0.166 -7.621 207 HG11 VAL 32 1HG1 VAL 32 2.363 2.190 -6.955 208 HG12 VAL 32 2HG1 VAL 32 1.581 2.082 -5.357 209 HG13 VAL 32 3HG1 VAL 32 3.057 1.160 -5.719 210 HG21 VAL 32 3HG2 VAL 32 2.430 -1.071 -5.531 211 HG22 VAL 32 1HG2 VAL 32 0.872 -0.624 -4.773 212 HG23 VAL 32 2HG2 VAL 32 0.918 -1.706 -6.169 213 H GLN 33 H GLN 33 -0.732 3.308 -6.806 214 HA GLN 33 HA GLN 33 -0.505 3.612 -9.729 215 HB3 GLN 33 2HB GLN 33 -2.429 4.609 -9.717 216 HG3 GLN 33 2HG GLN 33 -2.209 5.276 -6.791 217 HE21 GLN 33 1HE2 GLN 33 -3.051 7.339 -7.904 218 HE22 GLN 33 2HE2 GLN 33 -4.793 7.545 -7.889 219 H VAL 34 H VAL 34 1.444 3.714 -7.165 220 HA VAL 34 HA VAL 34 3.273 5.747 -8.116 221 HB VAL 34 HB VAL 34 3.009 6.933 -5.732 222 HG11 VAL 34 1HG1 VAL 34 1.906 8.806 -6.727 223 HG12 VAL 34 2HG1 VAL 34 2.982 8.096 -7.923 224 HG13 VAL 34 3HG1 VAL 34 1.237 7.813 -8.037 225 HG21 VAL 34 3HG2 VAL 34 0.731 7.385 -5.079 226 HG22 VAL 34 1HG2 VAL 34 0.070 6.406 -6.408 227 HG23 VAL 34 2HG2 VAL 34 0.978 5.643 -5.090 228 H TYR 35 H TYR 35 5.012 4.445 -7.851 229 HA TYR 35 HA TYR 35 5.363 2.897 -5.312 230 HB3 TYR 35 2HB TYR 35 5.881 2.214 -8.231 231 HD1 TYR 35 2HD TYR 35 6.885 0.734 -4.898 232 HD2 TYR 35 1HD TYR 35 8.083 1.801 -8.892 233 HE1 TYR 35 2HE TYR 35 9.185 -0.055 -4.423 234 HE2 TYR 35 1HE TYR 35 10.388 1.056 -8.415 235 HH TYR 35 HH TYR 35 11.356 -0.101 -5.177 236 H GLU 36 H GLU 36 7.070 3.479 -4.180 237 HA GLU 36 HA GLU 36 8.739 5.621 -5.306 238 HB3 GLU 36 2HB GLU 36 9.469 5.073 -2.588 239 HG3 GLU 36 2HG GLU 36 9.389 7.297 -3.519 240 H SER 37 H SER 37 10.170 4.927 -6.688 241 HA SER 37 HA SER 37 11.653 2.471 -6.445 242 HB3 SER 37 2HB SER 37 11.745 4.881 -8.278 243 HG SER 37 HG SER 37 13.812 4.016 -8.396 244 H SER 38 H SER 38 12.024 5.280 -4.644 245 HA SER 38 HA SER 38 14.860 4.559 -4.059 246 HB3 SER 38 2HB SER 38 15.464 6.848 -3.891 247 HG SER 38 HG SER 38 15.129 7.609 -5.957 248 H LEU 39 H LEU 39 11.738 4.848 -2.735 249 HA LEU 39 HA LEU 39 12.778 5.099 -0.046 250 HB3 LEU 39 2HB LEU 39 10.599 6.067 0.657 251 HG LEU 39 HG LEU 39 12.819 7.255 0.259 252 HD11 LEU 39 1HD1 LEU 39 12.532 9.234 -1.351 253 HD12 LEU 39 2HD1 LEU 39 11.329 8.186 -2.167 254 HD13 LEU 39 3HD1 LEU 39 13.010 7.645 -1.928 255 HD21 LEU 39 3HD2 LEU 39 10.162 8.692 0.390 256 HD22 LEU 39 1HD2 LEU 39 11.730 9.456 0.824 257 HD23 LEU 39 2HD2 LEU 39 11.115 8.079 1.752 258 H GLU 40 H GLU 40 10.262 4.253 1.191 259 HA GLU 40 HA GLU 40 9.699 1.720 -0.200 260 HB3 GLU 40 2HB GLU 40 9.668 0.631 1.992 261 HG3 GLU 40 2HG GLU 40 12.049 1.298 0.688 262 H SER 41 H SER 41 8.104 3.877 -0.752 263 HA SER 41 HA SER 41 5.917 4.118 1.251 264 HB3 SER 41 2HB SER 41 5.625 6.154 -0.539 265 HG SER 41 HG SER 41 6.842 7.366 0.920 266 H LEU 42 H LEU 42 3.730 3.937 0.514 267 HA LEU 42 HA LEU 42 3.307 2.728 -2.142 268 HB3 LEU 42 2HB LEU 42 2.365 1.376 0.435 269 HG LEU 42 HG LEU 42 2.226 -0.635 -1.012 270 HD11 LEU 42 1HD1 LEU 42 0.169 0.778 -0.498 271 HD12 LEU 42 2HD1 LEU 42 0.077 -0.320 -1.883 272 HD13 LEU 42 3HD1 LEU 42 0.295 1.411 -2.142 273 HD21 LEU 42 3HD2 LEU 42 2.532 -0.703 -3.235 274 HD22 LEU 42 1HD2 LEU 42 3.702 0.573 -2.867 275 HD23 LEU 42 2HD2 LEU 42 2.122 1.027 -3.472 276 H VAL 43 H VAL 43 1.691 3.911 -3.013 277 HA VAL 43 HA VAL 43 -0.751 4.346 -1.387 278 HB VAL 43 HB VAL 43 0.770 6.404 -3.019 279 HG11 VAL 43 1HG1 VAL 43 -2.023 6.729 -1.848 280 HG12 VAL 43 2HG1 VAL 43 -1.009 8.050 -2.448 281 HG13 VAL 43 3HG1 VAL 43 -1.575 6.829 -3.569 282 HG21 VAL 43 3HG2 VAL 43 1.540 6.211 -0.708 283 HG22 VAL 43 1HG2 VAL 43 0.632 7.702 -0.874 284 HG23 VAL 43 2HG2 VAL 43 -0.129 6.295 -0.120 285 H GLY 44 H GLY 44 -2.602 4.728 -2.671 286 HA2 GLY 44 1HA GLY 44 -3.361 5.061 -5.001 287 HA3 GLY 44 2HA GLY 44 -2.582 3.503 -5.396 288 H GLY 45 H GLY 45 -4.595 4.561 -2.531 289 HA2 GLY 45 1HA GLY 45 -6.352 3.627 -1.578 290 HA3 GLY 45 2HA GLY 45 -6.963 3.625 -3.245 291 H VAL 46 H VAL 46 -8.265 1.884 -2.345 292 HA VAL 46 HA VAL 46 -7.329 -0.667 -3.233 293 HB VAL 46 HB VAL 46 -6.273 -0.760 -1.042 294 HG11 VAL 46 1HG1 VAL 46 -7.653 0.998 0.123 295 HG12 VAL 46 2HG1 VAL 46 -8.932 -0.226 0.309 296 HG13 VAL 46 3HG1 VAL 46 -7.347 -0.439 1.066 297 HG21 VAL 46 3HG2 VAL 46 -7.385 -2.763 -1.930 298 HG22 VAL 46 1HG2 VAL 46 -7.213 -2.738 -0.167 299 HG23 VAL 46 2HG2 VAL 46 -8.799 -2.420 -0.906 300 H ILE 47 H ILE 47 -9.091 -1.693 -4.031 301 HA ILE 47 HA ILE 47 -11.749 -0.388 -3.598 302 HB ILE 47 HB ILE 47 -10.491 -1.741 -6.009 303 HG13 ILE 47 2HG1 ILE 47 -9.736 0.691 -5.342 304 HG21 ILE 47 1HG2 ILE 47 -13.197 -0.375 -5.740 305 HG22 ILE 47 2HG2 ILE 47 -12.487 -0.952 -7.255 306 HG23 ILE 47 3HG2 ILE 47 -12.906 -2.119 -6.007 307 HD11 ILE 47 3HD1 ILE 47 -9.598 1.385 -7.675 308 HD12 ILE 47 1HD1 ILE 47 -9.067 -0.280 -7.404 309 HD13 ILE 47 2HD1 ILE 47 -10.660 0.039 -8.142 310 H PHE 48 H PHE 48 -13.187 -1.731 -2.688 311 HA PHE 48 HA PHE 48 -12.655 -4.632 -2.413 312 HB3 PHE 48 2HB PHE 48 -14.947 -4.482 -1.217 313 HD1 PHE 48 1HD PHE 48 -11.612 -2.773 -0.686 314 HD2 PHE 48 2HD PHE 48 -15.057 -4.695 1.112 315 HE1 PHE 48 1HE PHE 48 -10.455 -2.863 1.483 316 HE2 PHE 48 2HE PHE 48 -13.868 -4.747 3.275 317 HZ PHE 48 HZ PHE 48 -11.556 -3.828 3.457 318 H GLU 49 H GLU 49 -14.360 -6.227 -2.880 319 HA GLU 49 HA GLU 49 -15.484 -6.053 -5.507 320 HB3 GLU 49 2HB GLU 49 -16.712 -8.094 -4.704 321 HG3 GLU 49 2HG GLU 49 -13.670 -8.066 -4.439 322 H ASP 50 H ASP 50 -16.566 -5.193 -2.341 323 HA ASP 50 HA ASP 50 -19.418 -5.201 -2.844 324 HB3 ASP 50 2HB ASP 50 -17.849 -4.257 -0.448 325 H GLY 51 H GLY 51 -17.352 -3.124 -4.021 326 HA2 GLY 51 1HA GLY 51 -17.532 -1.070 -4.904 327 HA3 GLY 51 2HA GLY 51 -19.125 -0.841 -4.200 328 H ARG 52 H ARG 52 -15.923 -1.236 -2.746 329 HA ARG 52 HA ARG 52 -16.520 1.217 -1.171 330 HB3 ARG 52 2HB ARG 52 -15.887 0.255 0.837 331 HG3 ARG 52 2HG ARG 52 -17.400 -1.920 -0.640 332 HD3 ARG 52 2HD ARG 52 -16.326 -2.421 1.678 333 HE ARG 52 HE ARG 52 -16.982 -0.628 3.038 334 HH11 ARG 52 1HH1 ARG 52 -19.872 -2.287 1.686 335 HH12 ARG 52 2HH1 ARG 52 -20.963 -1.502 2.766 336 HH21 ARG 52 1HH2 ARG 52 -18.436 0.550 4.226 337 HH22 ARG 52 2HH2 ARG 52 -20.148 0.395 4.040 338 H HIS 53 H HIS 53 -15.137 2.531 -2.190 339 HA HIS 53 HA HIS 53 -12.322 1.634 -2.680 340 HB3 HIS 53 2HB HIS 53 -13.583 4.274 -3.488 341 HD1 HIS 53 1HD HIS 53 -11.981 5.798 -4.996 342 HD2 HIS 53 2HD HIS 53 -10.327 2.138 -3.755 343 HE1 HIS 53 1HE HIS 53 -9.525 5.846 -5.638 344 H TYR 54 H TYR 54 -10.672 2.438 -1.503 345 HA TYR 54 HA TYR 54 -11.129 4.448 0.609 346 HB3 TYR 54 2HB TYR 54 -9.810 2.972 2.132 347 HD1 TYR 54 1HD TYR 54 -11.992 3.217 3.359 348 HD2 TYR 54 2HD TYR 54 -11.435 0.273 0.249 349 HE1 TYR 54 1HE TYR 54 -13.923 1.952 4.222 350 HE2 TYR 54 2HE TYR 54 -13.327 -1.020 1.133 351 HH TYR 54 HH TYR 54 -15.011 -0.084 4.130 352 H THR 55 H THR 55 -9.027 5.401 1.251 353 HA THR 55 HA THR 55 -6.988 5.449 -0.937 354 HB THR 55 HB THR 55 -6.805 7.842 -0.322 355 HG1 THR 55 1HG THR 55 -7.753 7.518 1.800 356 HG21 THR 55 3HG2 THR 55 -9.675 7.027 -1.056 357 HG22 THR 55 1HG2 THR 55 -8.307 7.146 -2.196 358 HG23 THR 55 2HG2 THR 55 -8.905 8.583 -1.356 359 H PHE 56 H PHE 56 -5.502 4.030 -0.064 360 HA PHE 56 HA PHE 56 -4.704 4.110 2.730 361 HB3 PHE 56 2HB PHE 56 -2.678 2.811 1.507 362 HD1 PHE 56 2HD PHE 56 -4.193 2.388 3.972 363 HD2 PHE 56 1HD PHE 56 -4.405 0.424 0.124 364 HE1 PHE 56 2HE PHE 56 -4.803 0.276 5.086 365 HE2 PHE 56 1HE PHE 56 -4.991 -1.700 1.266 366 HZ PHE 56 HZ PHE 56 -5.109 -1.780 3.743 367 H VAL 57 H VAL 57 -2.806 4.916 3.606 368 HA VAL 57 HA VAL 57 -0.760 5.747 1.724 369 HB VAL 57 HB VAL 57 -1.860 7.839 2.266 370 HG11 VAL 57 1HG1 VAL 57 -1.122 7.392 5.182 371 HG12 VAL 57 2HG1 VAL 57 -1.886 8.828 4.487 372 HG13 VAL 57 3HG1 VAL 57 -2.771 7.294 4.518 373 HG21 VAL 57 3HG2 VAL 57 0.849 7.591 3.614 374 HG22 VAL 57 1HG2 VAL 57 0.586 7.797 1.879 375 HG23 VAL 57 2HG2 VAL 57 0.119 9.085 3.019 376 H TYR 58 H TYR 58 0.796 4.337 2.093 377 HA TYR 58 HA TYR 58 1.515 3.649 4.894 378 HB3 TYR 58 2HB TYR 58 2.626 2.636 2.260 379 HD1 TYR 58 2HD TYR 58 2.445 1.910 5.979 380 HD2 TYR 58 1HD TYR 58 4.682 1.479 2.312 381 HE1 TYR 58 2HE TYR 58 4.300 0.926 7.241 382 HE2 TYR 58 1HE TYR 58 6.524 0.417 3.565 383 HH TYR 58 HH TYR 58 7.044 0.907 6.652 384 H GLU 59 H GLU 59 2.916 5.043 5.824 385 HA GLU 59 HA GLU 59 4.677 6.729 4.099 386 HB3 GLU 59 2HB GLU 59 2.640 7.938 4.762 387 HG3 GLU 59 2HG GLU 59 3.668 8.188 7.572 388 H ASN 60 H ASN 60 6.344 5.279 4.535 389 HA ASN 60 HA ASN 60 8.202 4.592 5.559 390 HB3 ASN 60 2HB ASN 60 7.941 6.197 8.051 391 HD21 ASN 60 1HD2 ASN 60 9.689 3.882 7.547 392 HD22 ASN 60 2HD2 ASN 60 11.270 4.519 7.184 393 H GLU 61 H GLU 61 6.032 5.050 8.346 394 HA GLU 61 HA GLU 61 6.264 2.140 8.965 395 HB3 GLU 61 2HB GLU 61 7.012 2.470 11.246 396 HG3 GLU 61 2HG GLU 61 8.896 3.943 9.397 397 H ASP 62 H ASP 62 4.256 4.714 8.607 398 HA ASP 62 HA ASP 62 2.200 3.626 10.466 399 HB3 ASP 62 2HB ASP 62 1.165 5.950 9.575 400 H LEU 63 H LEU 63 0.318 2.876 9.494 401 HA LEU 63 HA LEU 63 -0.016 3.087 6.543 402 HB3 LEU 63 2HB LEU 63 -0.687 0.757 8.369 403 HG LEU 63 HG LEU 63 -2.526 1.221 6.641 404 HD11 LEU 63 1HD1 LEU 63 -2.061 0.531 4.325 405 HD12 LEU 63 2HD1 LEU 63 -0.322 0.474 4.694 406 HD13 LEU 63 3HD1 LEU 63 -1.208 2.025 4.763 407 HD21 LEU 63 3HD2 LEU 63 -2.618 -1.138 5.851 408 HD22 LEU 63 1HD2 LEU 63 -2.355 -0.944 7.573 409 HD23 LEU 63 2HD2 LEU 63 -0.990 -1.397 6.515 410 H VAL 64 H VAL 64 -1.474 4.767 6.498 411 HA VAL 64 HA VAL 64 -3.720 4.657 8.449 412 HB VAL 64 HB VAL 64 -2.822 7.145 6.983 413 HG11 VAL 64 1HG1 VAL 64 -4.384 6.687 9.562 414 HG12 VAL 64 2HG1 VAL 64 -4.065 8.249 8.798 415 HG13 VAL 64 3HG1 VAL 64 -5.098 7.101 7.986 416 HG21 VAL 64 3HG2 VAL 64 -0.870 6.504 8.314 417 HG22 VAL 64 1HG2 VAL 64 -1.695 7.811 9.139 418 HG23 VAL 64 2HG2 VAL 64 -1.893 6.141 9.723 419 H TYR 65 H TYR 65 -5.841 5.082 7.647 420 HA TYR 65 HA TYR 65 -6.273 4.722 4.747 421 HB3 TYR 65 2HB TYR 65 -6.126 2.470 5.707 422 HD1 TYR 65 1HD TYR 65 -9.404 3.592 7.135 423 HD2 TYR 65 2HD TYR 65 -5.565 1.841 7.969 424 HE1 TYR 65 1HE TYR 65 -10.271 2.734 9.308 425 HE2 TYR 65 2HE TYR 65 -6.360 1.061 10.154 426 HH TYR 65 HH TYR 65 -8.591 0.404 11.206 427 H GLU 66 H GLU 66 -8.397 5.092 4.039 428 HA GLU 66 HA GLU 66 -10.392 6.397 5.671 429 HB3 GLU 66 2HB GLU 66 -8.698 7.949 3.636 430 HG3 GLU 66 2HG GLU 66 -10.587 9.065 5.716 431 H GLU 67 H GLU 67 -12.214 6.837 4.443 432 HA GLU 67 HA GLU 67 -12.601 4.987 2.145 433 HB3 GLU 67 2HB GLU 67 -13.826 5.232 4.513 434 HG3 GLU 67 2HG GLU 67 -15.690 6.800 2.707 435 H GLU 68 H GLU 68 -13.273 5.732 0.211 436 HA GLU 68 HA GLU 68 -12.552 8.482 -0.423 437 HB3 GLU 68 2HB GLU 68 -13.899 6.418 -2.242 438 HG3 GLU 68 2HG GLU 68 -12.627 9.161 -2.560 439 H VAL 69 H VAL 69 -13.909 10.151 -0.099 440 HA VAL 69 HA VAL 69 -16.846 9.712 -0.425 441 HB VAL 69 HB VAL 69 -15.423 11.718 1.344 442 HG11 VAL 69 1HG1 VAL 69 -17.388 12.783 0.373 443 HG12 VAL 69 2HG1 VAL 69 -18.388 11.363 0.722 444 HG13 VAL 69 3HG1 VAL 69 -17.736 12.361 2.045 445 HG21 VAL 69 3HG2 VAL 69 -17.257 9.367 2.020 446 HG22 VAL 69 1HG2 VAL 69 -15.511 9.444 2.318 447 HG23 VAL 69 2HG2 VAL 69 -16.592 10.529 3.179 448 H LEU 70 H LEU 70 -17.340 10.241 -2.373 449 HA LEU 70 HA LEU 70 -16.558 12.861 -3.398 450 HB3 LEU 70 2HB LEU 70 -15.591 11.304 -5.034 451 HG LEU 70 HG LEU 70 -18.342 9.996 -5.012 452 HD11 LEU 70 1HD1 LEU 70 -16.308 10.015 -7.275 453 HD12 LEU 70 2HD1 LEU 70 -17.936 10.721 -7.310 454 HD13 LEU 70 3HD1 LEU 70 -17.750 8.969 -7.194 455 HD21 LEU 70 3HD2 LEU 70 -15.518 8.841 -5.124 456 HD22 LEU 70 1HD2 LEU 70 -17.018 7.897 -5.172 457 HD23 LEU 70 2HD2 LEU 70 -16.608 8.792 -3.720 Start of MODEL 3 1 H1 GLY 1 H GLY 1 28.389 2.639 -3.823 2 HA2 GLY 1 1HA GLY 1 28.245 1.489 -1.106 3 HA3 GLY 1 2HA GLY 1 26.789 1.938 -2.016 4 H ASP 2 H ASP 2 25.858 0.290 -3.096 5 HA ASP 2 HA ASP 2 25.475 -1.651 -4.043 6 HB3 ASP 2 2HB ASP 2 26.764 -2.050 -6.173 7 H ASP 3 H ASP 3 25.891 -2.808 -2.206 8 HA ASP 3 HA ASP 3 28.060 -4.826 -2.271 9 HB3 ASP 3 2HB ASP 3 27.708 -2.633 -0.209 10 H ARG 4 H ARG 4 25.689 -3.519 0.056 11 HA ARG 4 HA ARG 4 23.888 -5.841 -0.248 12 HB3 ARG 4 2HB ARG 4 25.634 -6.608 1.287 13 HG3 ARG 4 2HG ARG 4 24.734 -4.479 3.256 14 HD3 ARG 4 2HD ARG 4 27.361 -5.436 3.772 15 HE ARG 4 HE ARG 4 24.906 -6.384 5.180 16 HH11 ARG 4 1HH1 ARG 4 27.968 -4.543 5.400 17 HH12 ARG 4 2HH1 ARG 4 27.484 -3.729 6.848 18 HH21 ARG 4 1HH2 ARG 4 24.529 -5.463 7.316 19 HH22 ARG 4 2HH2 ARG 4 25.734 -4.377 7.976 20 H LYS 5 H LYS 5 23.543 -2.949 -0.826 21 HA LYS 5 HA LYS 5 22.017 -2.028 1.430 22 HB3 LYS 5 2HB LYS 5 23.995 -0.525 -0.120 23 HG3 LYS 5 2HG LYS 5 22.523 1.151 0.691 24 HD3 LYS 5 2HD LYS 5 22.309 -0.535 3.190 25 HE3 LYS 5 2HE LYS 5 22.244 2.433 2.999 26 HZ1 LYS 5 3HZ LYS 5 19.972 2.199 3.292 27 HZ2 LYS 5 1HZ LYS 5 20.559 2.453 4.783 28 HZ3 LYS 5 2HZ LYS 5 20.073 0.936 4.365 29 H LEU 6 H LEU 6 20.059 -2.558 0.457 30 HA LEU 6 HA LEU 6 19.355 -0.960 -1.966 31 HB3 LEU 6 2HB LEU 6 17.960 -2.694 -2.702 32 HG LEU 6 HG LEU 6 20.326 -4.291 -1.648 33 HD11 LEU 6 1HD1 LEU 6 18.506 -5.588 -2.675 34 HD12 LEU 6 2HD1 LEU 6 19.917 -5.579 -3.745 35 HD13 LEU 6 3HD1 LEU 6 18.527 -4.546 -4.099 36 HD21 LEU 6 3HD2 LEU 6 21.415 -3.787 -3.878 37 HD22 LEU 6 1HD2 LEU 6 21.436 -2.484 -2.725 38 HD23 LEU 6 2HD2 LEU 6 20.259 -2.445 -4.060 39 H MET 7 H MET 7 17.249 -0.052 -1.969 40 HA MET 7 HA MET 7 15.997 0.548 0.594 41 HB3 MET 7 2HB MET 7 14.392 1.768 -0.934 42 HG3 MET 7 2HG MET 7 15.825 3.476 -1.799 43 HE1 MET 7 3HE MET 7 14.494 4.066 0.476 44 HE2 MET 7 1HE MET 7 14.669 2.501 1.301 45 HE3 MET 7 2HE MET 7 15.225 3.985 2.097 46 H LYS 8 H LYS 8 13.488 0.287 0.436 47 HA LYS 8 HA LYS 8 12.587 -2.401 -0.098 48 HB3 LYS 8 2HB LYS 8 10.321 -1.412 -0.008 49 HG3 LYS 8 2HG LYS 8 11.992 -0.371 2.291 50 HD3 LYS 8 2HD LYS 8 9.381 -1.964 2.247 51 HE3 LYS 8 2HE LYS 8 9.174 -1.224 4.562 52 HZ1 LYS 8 3HZ LYS 8 10.630 -3.215 4.004 53 HZ2 LYS 8 1HZ LYS 8 10.830 -2.511 5.521 54 HZ3 LYS 8 2HZ LYS 8 11.925 -2.220 4.336 55 H THR 9 H THR 9 10.768 -2.731 -1.775 56 HA THR 9 HA THR 9 11.311 -1.503 -4.387 57 HB THR 9 HB THR 9 11.069 -3.968 -5.180 58 HG1 THR 9 1HG THR 9 12.003 -5.386 -3.435 59 HG21 THR 9 3HG2 THR 9 13.541 -3.189 -3.602 60 HG22 THR 9 1HG2 THR 9 13.174 -2.687 -5.267 61 HG23 THR 9 2HG2 THR 9 13.463 -4.394 -4.907 62 H GLN 10 H GLN 10 9.417 -2.235 -5.908 63 HA GLN 10 HA GLN 10 7.034 -1.409 -4.692 64 HB3 GLN 10 2HB GLN 10 7.085 -3.096 -7.217 65 HG3 GLN 10 2HG GLN 10 5.851 -0.814 -7.900 66 HE21 GLN 10 1HE2 GLN 10 3.304 -0.700 -7.406 67 HE22 GLN 10 2HE2 GLN 10 2.518 -2.269 -7.446 68 H GLU 11 H GLU 11 8.403 -4.651 -5.105 69 HA GLU 11 HA GLU 11 6.087 -6.165 -4.404 70 HB3 GLU 11 2HB GLU 11 8.367 -7.552 -3.379 71 HG3 GLU 11 2HG GLU 11 6.806 -7.437 -6.004 72 H GLU 12 H GLU 12 8.828 -5.094 -2.346 73 HA GLU 12 HA GLU 12 7.927 -6.029 0.134 74 HB3 GLU 12 2HB GLU 12 9.146 -3.590 0.699 75 HG3 GLU 12 2HG GLU 12 11.370 -4.935 0.241 76 H LEU 13 H LEU 13 7.407 -2.835 -1.346 77 HA LEU 13 HA LEU 13 5.855 -1.817 0.793 78 HB3 LEU 13 2HB LEU 13 5.269 -0.012 -0.927 79 HG LEU 13 HG LEU 13 8.167 -0.930 -0.839 80 HD11 LEU 13 1HD1 LEU 13 8.781 1.226 -1.818 81 HD12 LEU 13 2HD1 LEU 13 7.069 1.601 -2.094 82 HD13 LEU 13 3HD1 LEU 13 7.825 0.247 -2.944 83 HD21 LEU 13 3HD2 LEU 13 6.758 1.400 0.489 84 HD22 LEU 13 1HD2 LEU 13 8.483 0.965 0.598 85 HD23 LEU 13 2HD2 LEU 13 7.261 -0.098 1.284 86 H THR 14 H THR 14 4.856 -3.407 -2.256 87 HA THR 14 HA THR 14 2.047 -3.237 -1.757 88 HB THR 14 HB THR 14 3.599 -5.197 -3.491 89 HG1 THR 14 1HG THR 14 4.048 -3.302 -4.266 90 HG21 THR 14 3HG2 THR 14 0.709 -4.247 -3.700 91 HG22 THR 14 1HG2 THR 14 1.205 -5.873 -3.148 92 HG23 THR 14 2HG2 THR 14 1.545 -5.366 -4.810 93 H GLU 15 H GLU 15 4.488 -5.791 -0.852 94 HA GLU 15 HA GLU 15 2.617 -7.726 0.088 95 HB3 GLU 15 2HB GLU 15 4.592 -8.372 1.650 96 HG3 GLU 15 2HG GLU 15 6.057 -9.300 -0.042 97 H ILE 16 H ILE 16 4.362 -5.100 1.745 98 HA ILE 16 HA ILE 16 3.425 -5.599 4.341 99 HB ILE 16 HB ILE 16 4.239 -3.005 2.924 100 HG13 ILE 16 2HG1 ILE 16 5.947 -5.021 3.244 101 HG21 ILE 16 1HG2 ILE 16 3.046 -2.311 4.877 102 HG22 ILE 16 2HG2 ILE 16 3.806 -3.576 5.870 103 HG23 ILE 16 3HG2 ILE 16 4.755 -2.197 5.301 104 HD11 ILE 16 3HD1 ILE 16 6.630 -2.699 2.542 105 HD12 ILE 16 1HD1 ILE 16 6.754 -2.260 4.248 106 HD13 ILE 16 2HD1 ILE 16 7.804 -3.518 3.569 107 H VAL 17 H VAL 17 2.018 -3.474 1.812 108 HA VAL 17 HA VAL 17 -0.301 -2.711 3.335 109 HB VAL 17 HB VAL 17 0.488 -2.670 0.395 110 HG11 VAL 17 1HG1 VAL 17 -2.258 -2.057 1.513 111 HG12 VAL 17 2HG1 VAL 17 -1.616 -1.197 0.086 112 HG13 VAL 17 3HG1 VAL 17 -1.804 -2.951 0.067 113 HG21 VAL 17 3HG2 VAL 17 0.105 -0.641 2.649 114 HG22 VAL 17 1HG2 VAL 17 1.566 -1.008 1.713 115 HG23 VAL 17 2HG2 VAL 17 0.230 -0.157 0.961 116 H ARG 18 H ARG 18 0.277 -5.352 0.979 117 HA ARG 18 HA ARG 18 -2.374 -6.247 0.802 118 HB3 ARG 18 2HB ARG 18 0.217 -7.854 0.617 119 HG3 ARG 18 2HG ARG 18 -2.406 -8.263 -0.863 120 HD3 ARG 18 2HD ARG 18 0.196 -9.817 -0.634 121 HE ARG 18 HE ARG 18 -1.288 -11.520 -0.288 122 HH11 ARG 18 1HH1 ARG 18 -2.215 -9.814 -3.347 123 HH12 ARG 18 2HH1 ARG 18 -3.400 -11.028 -3.712 124 HH21 ARG 18 1HH2 ARG 18 -2.875 -13.043 -0.928 125 HH22 ARG 18 2HH2 ARG 18 -3.798 -12.814 -2.363 126 H ASP 19 H ASP 19 0.256 -7.300 3.031 127 HA ASP 19 HA ASP 19 -1.143 -9.501 4.095 128 HB3 ASP 19 2HB ASP 19 0.993 -7.799 5.419 129 H HIS 20 H HIS 20 -1.563 -6.170 4.639 130 HA HIS 20 HA HIS 20 -2.853 -6.548 7.326 131 HB3 HIS 20 2HB HIS 20 -3.102 -3.987 7.084 132 HD1 HIS 20 1HD HIS 20 -1.679 -2.982 8.942 133 HD2 HIS 20 2HD HIS 20 0.172 -6.199 6.937 134 HE1 HIS 20 1HE HIS 20 0.494 -3.460 10.177 135 H PHE 21 H PHE 21 -3.689 -6.322 3.977 136 HA PHE 21 HA PHE 21 -6.400 -5.379 4.631 137 HB3 PHE 21 2HB PHE 21 -5.335 -5.384 1.835 138 HD1 PHE 21 2HD PHE 21 -8.137 -4.764 3.552 139 HD2 PHE 21 1HD PHE 21 -5.004 -2.429 1.691 140 HE1 PHE 21 2HE PHE 21 -9.573 -2.749 3.619 141 HE2 PHE 21 1HE PHE 21 -6.528 -0.461 1.663 142 HZ PHE 21 HZ PHE 21 -8.782 -0.627 2.716 143 H SER 22 H SER 22 -4.731 -8.163 3.054 144 HA SER 22 HA SER 22 -7.017 -9.291 1.785 145 HB3 SER 22 2HB SER 22 -4.995 -10.311 1.262 146 HG SER 22 HG SER 22 -4.293 -10.812 3.953 147 H ASP 23 H ASP 23 -6.193 -8.903 5.118 148 HA ASP 23 HA ASP 23 -7.787 -11.106 6.110 149 HB3 ASP 23 2HB ASP 23 -6.794 -8.798 7.751 150 H MET 24 H MET 24 -8.577 -7.814 5.119 151 HA MET 24 HA MET 24 -10.350 -7.404 7.361 152 HB3 MET 24 2HB MET 24 -8.610 -5.748 5.498 153 HG3 MET 24 2HG MET 24 -10.665 -4.945 7.475 154 HE1 MET 24 3HE MET 24 -8.438 -2.204 5.751 155 HE2 MET 24 1HE MET 24 -7.089 -2.021 6.890 156 HE3 MET 24 2HE MET 24 -7.235 -3.505 5.962 157 H GLY 25 H GLY 25 -11.161 -8.968 4.883 158 HA2 GLY 25 1HA GLY 25 -13.590 -8.928 4.527 159 HA3 GLY 25 2HA GLY 25 -13.422 -7.302 3.858 160 H GLU 26 H GLU 26 -13.521 -7.445 1.629 161 HA GLU 26 HA GLU 26 -11.906 -9.500 0.223 162 HB3 GLU 26 2HB GLU 26 -13.883 -9.626 -1.413 163 HG3 GLU 26 2HG GLU 26 -14.127 -10.881 1.348 164 H ILE 27 H ILE 27 -10.435 -8.073 -0.358 165 HA ILE 27 HA ILE 27 -10.961 -5.590 -1.748 166 HB ILE 27 HB ILE 27 -8.526 -7.404 -1.964 167 HG13 ILE 27 2HG1 ILE 27 -8.962 -6.586 0.439 168 HG21 ILE 27 1HG2 ILE 27 -8.478 -5.830 -3.776 169 HG22 ILE 27 2HG2 ILE 27 -9.051 -4.499 -2.733 170 HG23 ILE 27 3HG2 ILE 27 -7.429 -5.130 -2.563 171 HD11 ILE 27 3HD1 ILE 27 -6.534 -6.593 -1.016 172 HD12 ILE 27 1HD1 ILE 27 -6.580 -5.091 -0.069 173 HD13 ILE 27 2HD1 ILE 27 -6.786 -6.677 0.726 174 H ALA 28 H ALA 28 -11.014 -5.270 -3.943 175 HA ALA 28 HA ALA 28 -11.533 -7.604 -5.711 176 HB1 ALA 28 1HB ALA 28 -12.670 -5.996 -7.205 177 HB2 ALA 28 2HB ALA 28 -13.439 -6.057 -5.613 178 HB3 ALA 28 3HB ALA 28 -12.395 -4.684 -6.040 179 H THR 29 H THR 29 -10.115 -4.276 -5.650 180 HA THR 29 HA THR 29 -8.045 -5.070 -7.659 181 HB THR 29 HB THR 29 -9.747 -2.595 -7.342 182 HG1 THR 29 1HG THR 29 -10.925 -3.362 -8.829 183 HG21 THR 29 3HG2 THR 29 -8.004 -1.508 -8.374 184 HG22 THR 29 1HG2 THR 29 -9.003 -1.985 -9.719 185 HG23 THR 29 2HG2 THR 29 -7.526 -2.913 -9.356 186 H LEU 30 H LEU 30 -6.076 -5.029 -6.696 187 HA LEU 30 HA LEU 30 -5.445 -2.970 -4.671 188 HB3 LEU 30 2HB LEU 30 -4.375 -5.826 -4.756 189 HG LEU 30 HG LEU 30 -3.684 -3.394 -3.080 190 HD11 LEU 30 1HD1 LEU 30 -2.962 -4.843 -1.215 191 HD12 LEU 30 2HD1 LEU 30 -3.673 -6.250 -2.033 192 HD13 LEU 30 3HD1 LEU 30 -4.705 -4.922 -1.473 193 HD21 LEU 30 3HD2 LEU 30 -2.040 -5.806 -3.982 194 HD22 LEU 30 1HD2 LEU 30 -1.443 -4.442 -3.010 195 HD23 LEU 30 2HD2 LEU 30 -1.961 -4.170 -4.676 196 H TYR 31 H TYR 31 -3.946 -1.538 -5.505 197 HA TYR 31 HA TYR 31 -1.890 -2.383 -7.351 198 HB3 TYR 31 2HB TYR 31 -3.873 -1.938 -8.855 199 HD1 TYR 31 1HD TYR 31 -5.046 -0.020 -6.557 200 HD2 TYR 31 2HD TYR 31 -3.159 0.759 -10.360 201 HE1 TYR 31 1HE TYR 31 -6.398 1.994 -6.785 202 HE2 TYR 31 2HE TYR 31 -4.553 2.807 -10.601 203 HH TYR 31 HH TYR 31 -6.977 3.776 -8.141 204 H VAL 32 H VAL 32 -0.965 0.098 -8.055 205 HA VAL 32 HA VAL 32 -0.970 1.737 -5.612 206 HB VAL 32 HB VAL 32 1.549 0.939 -7.146 207 HG11 VAL 32 1HG1 VAL 32 2.800 1.814 -5.306 208 HG12 VAL 32 2HG1 VAL 32 1.656 3.018 -5.891 209 HG13 VAL 32 3HG1 VAL 32 1.303 2.160 -4.402 210 HG21 VAL 32 3HG2 VAL 32 2.175 -0.536 -5.226 211 HG22 VAL 32 1HG2 VAL 32 0.570 -0.283 -4.517 212 HG23 VAL 32 2HG2 VAL 32 0.759 -1.152 -6.050 213 H GLN 33 H GLN 33 -1.109 3.908 -6.223 214 HA GLN 33 HA GLN 33 -0.986 4.469 -9.154 215 HB3 GLN 33 2HB GLN 33 -1.925 6.670 -8.514 216 HG3 GLN 33 2HG GLN 33 -3.611 4.375 -7.424 217 HE21 GLN 33 1HE2 GLN 33 -5.409 5.560 -6.590 218 HE22 GLN 33 2HE2 GLN 33 -6.047 6.973 -7.374 219 H VAL 34 H VAL 34 1.197 4.453 -6.596 220 HA VAL 34 HA VAL 34 3.141 6.176 -7.886 221 HB VAL 34 HB VAL 34 3.358 7.451 -5.615 222 HG11 VAL 34 1HG1 VAL 34 2.235 9.345 -6.453 223 HG12 VAL 34 2HG1 VAL 34 2.825 8.460 -7.867 224 HG13 VAL 34 3HG1 VAL 34 1.108 8.383 -7.420 225 HG21 VAL 34 3HG2 VAL 34 1.303 8.007 -4.488 226 HG22 VAL 34 1HG2 VAL 34 0.317 7.021 -5.580 227 HG23 VAL 34 2HG2 VAL 34 1.470 6.254 -4.468 228 H TYR 35 H TYR 35 4.707 4.650 -7.867 229 HA TYR 35 HA TYR 35 5.282 3.096 -5.385 230 HB3 TYR 35 2HB TYR 35 5.991 2.791 -8.306 231 HD1 TYR 35 2HD TYR 35 7.360 1.818 -4.905 232 HD2 TYR 35 1HD TYR 35 7.652 1.376 -9.191 233 HE1 TYR 35 2HE TYR 35 9.559 0.762 -4.639 234 HE2 TYR 35 1HE TYR 35 9.871 0.256 -8.898 235 HH TYR 35 HH TYR 35 11.664 0.133 -5.982 236 H GLU 36 H GLU 36 6.617 4.257 -4.056 237 HA GLU 36 HA GLU 36 8.562 6.148 -5.225 238 HB3 GLU 36 2HB GLU 36 9.200 5.843 -2.560 239 HG3 GLU 36 2HG GLU 36 8.942 8.005 -3.280 240 H SER 37 H SER 37 10.164 5.169 -6.339 241 HA SER 37 HA SER 37 11.260 2.627 -5.534 242 HB3 SER 37 2HB SER 37 11.002 3.152 -7.846 243 HG SER 37 HG SER 37 12.039 4.972 -8.750 244 H SER 38 H SER 38 11.931 5.898 -4.691 245 HA SER 38 HA SER 38 14.583 5.171 -3.509 246 HB3 SER 38 2HB SER 38 14.870 7.754 -3.719 247 HG SER 38 HG SER 38 14.896 6.848 -6.281 248 H LEU 39 H LEU 39 11.425 6.147 -2.653 249 HA LEU 39 HA LEU 39 12.334 6.604 0.131 250 HB3 LEU 39 2HB LEU 39 10.237 7.669 0.661 251 HG LEU 39 HG LEU 39 11.381 9.064 -1.794 252 HD11 LEU 39 1HD1 LEU 39 9.159 9.876 -1.230 253 HD12 LEU 39 2HD1 LEU 39 10.354 11.089 -0.784 254 HD13 LEU 39 3HD1 LEU 39 9.611 10.065 0.470 255 HD21 LEU 39 3HD2 LEU 39 12.052 9.359 1.171 256 HD22 LEU 39 1HD2 LEU 39 12.628 10.443 -0.122 257 HD23 LEU 39 2HD2 LEU 39 13.126 8.755 -0.091 258 H GLU 40 H GLU 40 9.962 5.730 1.352 259 HA GLU 40 HA GLU 40 9.405 3.110 0.151 260 HB3 GLU 40 2HB GLU 40 9.807 1.921 2.076 261 HG3 GLU 40 2HG GLU 40 12.006 2.892 0.959 262 H SER 41 H SER 41 7.551 4.050 -0.596 263 HA SER 41 HA SER 41 5.431 4.769 1.350 264 HB3 SER 41 2HB SER 41 6.162 6.150 -1.252 265 HG SER 41 HG SER 41 4.140 6.919 0.562 266 H LEU 42 H LEU 42 3.417 4.026 0.722 267 HA LEU 42 HA LEU 42 3.033 2.856 -1.964 268 HB3 LEU 42 2HB LEU 42 2.108 1.468 0.591 269 HG LEU 42 HG LEU 42 1.794 -0.504 -0.720 270 HD11 LEU 42 1HD1 LEU 42 -0.109 1.173 -0.813 271 HD12 LEU 42 2HD1 LEU 42 -0.071 -0.043 -2.099 272 HD13 LEU 42 3HD1 LEU 42 0.467 1.610 -2.427 273 HD21 LEU 42 3HD2 LEU 42 3.660 -0.308 -2.238 274 HD22 LEU 42 1HD2 LEU 42 2.790 0.896 -3.175 275 HD23 LEU 42 2HD2 LEU 42 2.184 -0.789 -3.015 276 H VAL 43 H VAL 43 1.454 4.223 -2.740 277 HA VAL 43 HA VAL 43 -0.941 4.630 -1.075 278 HB VAL 43 HB VAL 43 0.388 6.883 -2.628 279 HG11 VAL 43 1HG1 VAL 43 -1.208 8.303 -1.237 280 HG12 VAL 43 2HG1 VAL 43 -1.967 7.302 -2.461 281 HG13 VAL 43 3HG1 VAL 43 -2.010 6.797 -0.746 282 HG21 VAL 43 3HG2 VAL 43 0.454 6.360 0.339 283 HG22 VAL 43 1HG2 VAL 43 1.838 6.490 -0.755 284 HG23 VAL 43 2HG2 VAL 43 0.877 7.917 -0.400 285 H GLY 44 H GLY 44 -2.829 5.302 -2.531 286 HA2 GLY 44 1HA GLY 44 -3.334 5.266 -5.047 287 HA3 GLY 44 2HA GLY 44 -2.693 3.608 -4.988 288 H GLY 45 H GLY 45 -4.173 3.894 -1.991 289 HA2 GLY 45 1HA GLY 45 -5.798 2.702 -1.197 290 HA3 GLY 45 2HA GLY 45 -6.826 3.444 -2.452 291 H VAL 46 H VAL 46 -7.914 1.293 -1.837 292 HA VAL 46 HA VAL 46 -7.445 -0.504 -4.071 293 HB VAL 46 HB VAL 46 -7.721 -2.550 -2.769 294 HG11 VAL 46 1HG1 VAL 46 -5.391 -1.688 -2.931 295 HG12 VAL 46 2HG1 VAL 46 -5.566 -1.033 -1.288 296 HG13 VAL 46 3HG1 VAL 46 -5.714 -2.783 -1.573 297 HG21 VAL 46 3HG2 VAL 46 -7.758 -2.578 -0.286 298 HG22 VAL 46 1HG2 VAL 46 -7.957 -0.802 -0.308 299 HG23 VAL 46 2HG2 VAL 46 -9.198 -1.858 -0.994 300 H ILE 47 H ILE 47 -9.379 -1.680 -4.625 301 HA ILE 47 HA ILE 47 -11.898 -0.403 -3.639 302 HB ILE 47 HB ILE 47 -11.269 -1.730 -6.300 303 HG13 ILE 47 2HG1 ILE 47 -11.195 1.122 -5.438 304 HG21 ILE 47 1HG2 ILE 47 -13.794 -0.494 -5.235 305 HG22 ILE 47 2HG2 ILE 47 -13.558 -0.769 -6.955 306 HG23 ILE 47 3HG2 ILE 47 -13.564 -2.142 -5.843 307 HD11 ILE 47 3HD1 ILE 47 -9.151 -0.029 -6.381 308 HD12 ILE 47 1HD1 ILE 47 -10.039 -0.222 -7.909 309 HD13 ILE 47 2HD1 ILE 47 -9.660 1.392 -7.310 310 H PHE 48 H PHE 48 -13.491 -1.834 -2.915 311 HA PHE 48 HA PHE 48 -12.851 -4.748 -2.679 312 HB3 PHE 48 2HB PHE 48 -14.887 -4.440 -1.030 313 HD1 PHE 48 1HD PHE 48 -11.464 -2.789 -0.920 314 HD2 PHE 48 2HD PHE 48 -14.435 -5.167 1.101 315 HE1 PHE 48 1HE PHE 48 -9.894 -3.205 0.924 316 HE2 PHE 48 2HE PHE 48 -12.873 -5.493 2.989 317 HZ PHE 48 HZ PHE 48 -10.594 -4.608 2.877 318 H GLU 49 H GLU 49 -14.783 -6.172 -2.822 319 HA GLU 49 HA GLU 49 -16.411 -5.668 -5.142 320 HB3 GLU 49 2HB GLU 49 -17.552 -7.828 -3.853 321 HG3 GLU 49 2HG GLU 49 -15.554 -9.075 -5.152 322 H ASP 50 H ASP 50 -17.002 -5.477 -1.617 323 HA ASP 50 HA ASP 50 -19.859 -5.007 -1.919 324 HB3 ASP 50 2HB ASP 50 -19.553 -4.553 0.651 325 H GLY 51 H GLY 51 -17.892 -3.115 -3.116 326 HA2 GLY 51 1HA GLY 51 -17.644 -0.949 -3.539 327 HA3 GLY 51 2HA GLY 51 -19.201 -0.654 -2.737 328 H ARG 52 H ARG 52 -15.799 -1.409 -1.855 329 HA ARG 52 HA ARG 52 -15.972 0.579 0.337 330 HB3 ARG 52 2HB ARG 52 -15.201 -0.674 1.992 331 HG3 ARG 52 2HG ARG 52 -16.745 -2.637 0.311 332 HD3 ARG 52 2HD ARG 52 -15.301 -3.439 2.450 333 HE ARG 52 HE ARG 52 -16.353 -2.206 4.160 334 HH11 ARG 52 1HH1 ARG 52 -18.663 -4.534 2.692 335 HH12 ARG 52 2HH1 ARG 52 -19.884 -4.211 3.862 336 HH21 ARG 52 1HH2 ARG 52 -18.092 -1.578 5.341 337 HH22 ARG 52 2HH2 ARG 52 -19.548 -2.501 5.438 338 H HIS 53 H HIS 53 -14.766 2.111 -0.871 339 HA HIS 53 HA HIS 53 -12.212 1.236 -2.111 340 HB3 HIS 53 2HB HIS 53 -13.531 3.962 -2.269 341 HD1 HIS 53 1HD HIS 53 -13.217 4.767 -5.018 342 HD2 HIS 53 2HD HIS 53 -10.216 2.512 -3.098 343 HE1 HIS 53 1HE HIS 53 -11.125 4.999 -6.424 344 H TYR 54 H TYR 54 -10.314 1.644 -0.918 345 HA TYR 54 HA TYR 54 -10.503 3.610 1.353 346 HB3 TYR 54 2HB TYR 54 -9.071 1.954 2.578 347 HD1 TYR 54 1HD TYR 54 -11.142 3.068 3.584 348 HD2 TYR 54 2HD TYR 54 -11.229 -0.740 1.616 349 HE1 TYR 54 1HE TYR 54 -13.183 2.521 4.844 350 HE2 TYR 54 2HE TYR 54 -13.205 -1.392 2.979 351 HH TYR 54 HH TYR 54 -14.727 0.997 5.245 352 H THR 55 H THR 55 -8.780 5.007 1.532 353 HA THR 55 HA THR 55 -6.576 4.763 -0.414 354 HB THR 55 HB THR 55 -6.172 7.116 0.506 355 HG1 THR 55 1HG THR 55 -8.224 7.980 1.364 356 HG21 THR 55 3HG2 THR 55 -7.280 6.564 -1.677 357 HG22 THR 55 1HG2 THR 55 -7.861 8.062 -0.947 358 HG23 THR 55 2HG2 THR 55 -8.835 6.582 -0.809 359 H PHE 56 H PHE 56 -5.731 2.865 0.791 360 HA PHE 56 HA PHE 56 -4.318 3.263 3.258 361 HB3 PHE 56 2HB PHE 56 -2.728 1.575 1.702 362 HD1 PHE 56 2HD PHE 56 -6.025 1.417 3.602 363 HD2 PHE 56 1HD PHE 56 -2.196 -0.363 2.813 364 HE1 PHE 56 2HE PHE 56 -6.450 -0.286 5.317 365 HE2 PHE 56 1HE PHE 56 -2.673 -2.158 4.456 366 HZ PHE 56 HZ PHE 56 -4.820 -2.110 5.719 367 H VAL 57 H VAL 57 -2.597 4.315 3.784 368 HA VAL 57 HA VAL 57 -0.573 4.985 1.780 369 HB VAL 57 HB VAL 57 -1.705 7.006 1.875 370 HG11 VAL 57 1HG1 VAL 57 -2.293 8.217 3.989 371 HG12 VAL 57 2HG1 VAL 57 -3.208 6.722 3.722 372 HG13 VAL 57 3HG1 VAL 57 -1.848 6.750 4.869 373 HG21 VAL 57 3HG2 VAL 57 0.445 7.333 4.040 374 HG22 VAL 57 1HG2 VAL 57 0.818 7.169 2.320 375 HG23 VAL 57 2HG2 VAL 57 -0.100 8.559 2.886 376 H TYR 58 H TYR 58 1.010 3.823 2.422 377 HA TYR 58 HA TYR 58 1.632 3.479 5.318 378 HB3 TYR 58 2HB TYR 58 2.919 2.057 2.971 379 HD1 TYR 58 1HD TYR 58 2.131 1.635 6.674 380 HD2 TYR 58 2HD TYR 58 5.102 1.254 3.572 381 HE1 TYR 58 1HE TYR 58 3.563 0.458 8.241 382 HE2 TYR 58 2HE TYR 58 6.533 -0.027 5.161 383 HH TYR 58 HH TYR 58 5.358 -1.131 8.303 384 H GLU 59 H GLU 59 3.137 4.907 6.089 385 HA GLU 59 HA GLU 59 5.039 6.135 4.172 386 HB3 GLU 59 2HB GLU 59 3.328 7.777 4.652 387 HG3 GLU 59 2HG GLU 59 4.128 7.561 7.587 388 H ASN 60 H ASN 60 6.772 5.089 4.541 389 HA ASN 60 HA ASN 60 8.522 4.131 5.383 390 HB3 ASN 60 2HB ASN 60 8.279 5.885 7.855 391 HD21 ASN 60 1HD2 ASN 60 10.508 4.592 5.300 392 HD22 ASN 60 2HD2 ASN 60 11.771 4.148 6.401 393 H GLU 61 H GLU 61 6.517 4.464 8.259 394 HA GLU 61 HA GLU 61 6.433 1.542 8.616 395 HB3 GLU 61 2HB GLU 61 7.042 1.565 10.913 396 HG3 GLU 61 2HG GLU 61 9.206 3.306 9.699 397 H ASP 62 H ASP 62 4.734 4.550 8.673 398 HA ASP 62 HA ASP 62 2.708 3.637 10.665 399 HB3 ASP 62 2HB ASP 62 1.856 6.048 10.036 400 H LEU 63 H LEU 63 0.516 3.280 9.946 401 HA LEU 63 HA LEU 63 0.055 3.541 7.028 402 HB3 LEU 63 2HB LEU 63 -1.373 1.320 8.412 403 HG LEU 63 HG LEU 63 0.198 1.477 5.801 404 HD11 LEU 63 1HD1 LEU 63 -0.829 -0.664 5.233 405 HD12 LEU 63 2HD1 LEU 63 -1.686 -0.694 6.798 406 HD13 LEU 63 3HD1 LEU 63 0.079 -0.784 6.734 407 HD21 LEU 63 3HD2 LEU 63 -2.820 1.465 6.028 408 HD22 LEU 63 1HD2 LEU 63 -1.800 1.533 4.560 409 HD23 LEU 63 2HD2 LEU 63 -1.829 2.882 5.655 410 H VAL 64 H VAL 64 -1.655 4.786 6.568 411 HA VAL 64 HA VAL 64 -3.814 5.112 8.581 412 HB VAL 64 HB VAL 64 -2.641 7.314 6.838 413 HG11 VAL 64 1HG1 VAL 64 -4.567 7.504 9.183 414 HG12 VAL 64 2HG1 VAL 64 -3.923 8.848 8.226 415 HG13 VAL 64 3HG1 VAL 64 -5.014 7.701 7.470 416 HG21 VAL 64 3HG2 VAL 64 -0.940 6.770 8.496 417 HG22 VAL 64 1HG2 VAL 64 -1.729 8.265 8.967 418 HG23 VAL 64 2HG2 VAL 64 -2.153 6.753 9.795 419 H TYR 65 H TYR 65 -5.937 5.446 7.645 420 HA TYR 65 HA TYR 65 -6.321 5.685 4.801 421 HB3 TYR 65 2HB TYR 65 -6.091 3.284 4.915 422 HD1 TYR 65 2HD TYR 65 -9.519 3.598 6.445 423 HD2 TYR 65 1HD TYR 65 -5.550 1.930 6.805 424 HE1 TYR 65 2HE TYR 65 -10.333 2.025 8.158 425 HE2 TYR 65 1HE TYR 65 -6.346 0.369 8.508 426 HH TYR 65 HH TYR 65 -9.747 0.359 9.683 427 H GLU 66 H GLU 66 -8.872 5.755 4.407 428 HA GLU 66 HA GLU 66 -10.428 5.864 6.781 429 HB3 GLU 66 2HB GLU 66 -11.426 8.215 5.508 430 HG3 GLU 66 2HG GLU 66 -10.680 9.386 7.539 431 H GLU 67 H GLU 67 -11.268 7.228 3.564 432 HA GLU 67 HA GLU 67 -12.161 4.807 2.428 433 HB3 GLU 67 2HB GLU 67 -14.201 6.872 3.382 434 HG3 GLU 67 2HG GLU 67 -14.335 4.745 1.262 435 H GLU 68 H GLU 68 -12.721 5.391 0.118 436 HA GLU 68 HA GLU 68 -11.389 7.907 -0.733 437 HB3 GLU 68 2HB GLU 68 -12.040 5.684 -2.633 438 HG3 GLU 68 2HG GLU 68 -9.456 6.384 -3.076 439 H VAL 69 H VAL 69 -12.792 9.471 -1.177 440 HA VAL 69 HA VAL 69 -15.171 8.862 -2.807 441 HB VAL 69 HB VAL 69 -15.267 10.840 -0.490 442 HG11 VAL 69 1HG1 VAL 69 -16.695 11.469 -2.355 443 HG12 VAL 69 2HG1 VAL 69 -17.331 9.806 -2.492 444 HG13 VAL 69 3HG1 VAL 69 -17.713 10.797 -1.075 445 HG21 VAL 69 3HG2 VAL 69 -16.392 8.017 -0.709 446 HG22 VAL 69 1HG2 VAL 69 -15.272 8.650 0.518 447 HG23 VAL 69 2HG2 VAL 69 -16.942 9.213 0.475 448 H LEU 70 H LEU 70 -14.283 9.536 -4.614 449 HA LEU 70 HA LEU 70 -12.688 11.901 -4.976 450 HB3 LEU 70 2HB LEU 70 -12.580 9.937 -6.462 451 HG LEU 70 HG LEU 70 -13.982 9.497 -8.251 452 HD11 LEU 70 1HD1 LEU 70 -15.931 9.655 -5.925 453 HD12 LEU 70 2HD1 LEU 70 -14.715 8.381 -6.178 454 HD13 LEU 70 3HD1 LEU 70 -16.026 8.599 -7.345 455 HD21 LEU 70 3HD2 LEU 70 -14.724 11.880 -8.657 456 HD22 LEU 70 1HD2 LEU 70 -16.043 11.572 -7.516 457 HD23 LEU 70 2HD2 LEU 70 -15.904 10.612 -8.984 Start of MODEL 4 1 H1 GLY 1 H GLY 1 29.461 -8.595 1.953 2 HA2 GLY 1 1HA GLY 1 30.982 -7.410 3.474 3 HA3 GLY 1 2HA GLY 1 31.116 -6.144 2.236 4 H ASP 2 H ASP 2 30.413 -4.995 4.405 5 HA ASP 2 HA ASP 2 27.541 -4.790 4.721 6 HB3 ASP 2 2HB ASP 2 28.842 -4.621 6.734 7 H ASP 3 H ASP 3 27.032 -2.340 4.961 8 HA ASP 3 HA ASP 3 26.124 -0.650 3.834 9 HB3 ASP 3 2HB ASP 3 28.852 0.376 3.226 10 H ARG 4 H ARG 4 25.303 -2.119 2.205 11 HA ARG 4 HA ARG 4 25.864 -1.117 -0.502 12 HB3 ARG 4 2HB ARG 4 27.526 -2.857 -0.441 13 HG3 ARG 4 2HG ARG 4 25.342 -4.519 0.821 14 HD3 ARG 4 2HD ARG 4 27.747 -5.698 -0.607 15 HE ARG 4 HE ARG 4 26.673 -6.756 1.515 16 HH11 ARG 4 1HH1 ARG 4 25.532 -7.511 -1.814 17 HH12 ARG 4 2HH1 ARG 4 24.922 -9.056 -1.391 18 HH21 ARG 4 1HH2 ARG 4 25.555 -8.688 2.084 19 HH22 ARG 4 2HH2 ARG 4 24.753 -9.598 0.831 20 H LYS 5 H LYS 5 23.621 -0.723 1.146 21 HA LYS 5 HA LYS 5 21.687 -2.792 0.870 22 HB3 LYS 5 2HB LYS 5 21.982 -1.249 2.811 23 HG3 LYS 5 2HG LYS 5 20.274 0.678 1.195 24 HD3 LYS 5 2HD LYS 5 21.152 2.251 3.001 25 HE3 LYS 5 2HE LYS 5 19.461 0.093 4.313 26 HZ1 LYS 5 3HZ LYS 5 19.152 3.026 4.005 27 HZ2 LYS 5 1HZ LYS 5 19.698 2.317 5.372 28 HZ3 LYS 5 2HZ LYS 5 18.138 2.090 4.844 29 H LEU 6 H LEU 6 19.308 -1.813 0.318 30 HA LEU 6 HA LEU 6 19.288 -0.311 -2.163 31 HB3 LEU 6 2HB LEU 6 19.359 -2.359 -3.170 32 HG LEU 6 HG LEU 6 19.068 -3.967 -1.418 33 HD11 LEU 6 1HD1 LEU 6 16.752 -4.338 -0.437 34 HD12 LEU 6 2HD1 LEU 6 16.286 -2.796 -1.215 35 HD13 LEU 6 3HD1 LEU 6 17.547 -2.804 0.002 36 HD21 LEU 6 3HD2 LEU 6 18.358 -4.520 -3.786 37 HD22 LEU 6 1HD2 LEU 6 16.696 -4.197 -3.279 38 HD23 LEU 6 2HD2 LEU 6 17.593 -5.522 -2.515 39 H MET 7 H MET 7 16.876 0.273 -2.754 40 HA MET 7 HA MET 7 15.377 0.864 -0.291 41 HB3 MET 7 2HB MET 7 14.050 2.278 -1.865 42 HG3 MET 7 2HG MET 7 15.737 3.938 -2.415 43 HE1 MET 7 3HE MET 7 13.984 4.402 -0.209 44 HE2 MET 7 1HE MET 7 14.040 2.737 0.424 45 HE3 MET 7 2HE MET 7 14.486 4.099 1.468 46 H LYS 8 H LYS 8 13.078 0.352 -0.380 47 HA LYS 8 HA LYS 8 12.600 -2.323 -1.103 48 HB3 LYS 8 2HB LYS 8 10.161 -1.788 -0.575 49 HG3 LYS 8 2HG LYS 8 12.205 -0.836 1.432 50 HD3 LYS 8 2HD LYS 8 9.648 -2.400 1.897 51 HE3 LYS 8 2HE LYS 8 11.900 -1.180 3.544 52 HZ1 LYS 8 3HZ LYS 8 10.675 -1.390 5.497 53 HZ2 LYS 8 1HZ LYS 8 9.319 -1.932 4.750 54 HZ3 LYS 8 2HZ LYS 8 9.816 -0.399 4.507 55 H THR 9 H THR 9 11.427 -3.364 -2.696 56 HA THR 9 HA THR 9 11.336 -1.975 -5.247 57 HB THR 9 HB THR 9 10.563 -4.291 -6.015 58 HG1 THR 9 1HG THR 9 11.587 -5.334 -3.637 59 HG21 THR 9 3HG2 THR 9 12.868 -3.472 -6.196 60 HG22 THR 9 1HG2 THR 9 12.837 -5.202 -5.827 61 HG23 THR 9 2HG2 THR 9 13.216 -4.027 -4.549 62 H GLN 10 H GLN 10 9.415 -2.421 -6.672 63 HA GLN 10 HA GLN 10 6.991 -1.305 -5.720 64 HB3 GLN 10 2HB GLN 10 7.468 -3.222 -8.077 65 HG3 GLN 10 2HG GLN 10 5.906 -1.842 -9.337 66 HE21 GLN 10 1HE2 GLN 10 3.815 -1.240 -7.000 67 HE22 GLN 10 2HE2 GLN 10 3.035 -2.750 -6.787 68 H GLU 11 H GLU 11 7.997 -4.785 -6.270 69 HA GLU 11 HA GLU 11 5.751 -5.985 -5.341 70 HB3 GLU 11 2HB GLU 11 8.543 -7.060 -4.752 71 HG3 GLU 11 2HG GLU 11 5.867 -8.184 -5.673 72 H GLU 12 H GLU 12 8.632 -5.078 -3.219 73 HA GLU 12 HA GLU 12 7.477 -6.058 -0.862 74 HB3 GLU 12 2HB GLU 12 8.893 -4.144 0.215 75 HG3 GLU 12 2HG GLU 12 10.390 -6.108 -1.546 76 H LEU 13 H LEU 13 7.223 -2.744 -2.230 77 HA LEU 13 HA LEU 13 5.736 -1.800 0.030 78 HB3 LEU 13 2HB LEU 13 5.163 0.146 -1.579 79 HG LEU 13 HG LEU 13 8.114 -0.623 -1.624 80 HD11 LEU 13 1HD1 LEU 13 6.969 2.148 -1.392 81 HD12 LEU 13 2HD1 LEU 13 7.111 1.393 -2.959 82 HD13 LEU 13 3HD1 LEU 13 8.569 1.652 -1.978 83 HD21 LEU 13 3HD2 LEU 13 6.625 0.811 0.628 84 HD22 LEU 13 1HD2 LEU 13 8.392 0.741 0.441 85 HD23 LEU 13 2HD2 LEU 13 7.506 -0.737 0.736 86 H THR 14 H THR 14 4.610 -3.157 -3.082 87 HA THR 14 HA THR 14 1.791 -2.854 -2.513 88 HB THR 14 HB THR 14 3.437 -4.628 -4.371 89 HG1 THR 14 1HG THR 14 1.684 -2.414 -4.681 90 HG21 THR 14 3HG2 THR 14 1.307 -5.846 -3.954 91 HG22 THR 14 1HG2 THR 14 1.387 -5.184 -5.589 92 HG23 THR 14 2HG2 THR 14 0.403 -4.370 -4.358 93 H GLU 15 H GLU 15 4.164 -5.493 -1.891 94 HA GLU 15 HA GLU 15 2.393 -7.417 -0.875 95 HB3 GLU 15 2HB GLU 15 4.593 -8.041 0.453 96 HG3 GLU 15 2HG GLU 15 5.679 -8.750 -1.788 97 H ILE 16 H ILE 16 4.339 -4.969 0.945 98 HA ILE 16 HA ILE 16 3.395 -5.531 3.500 99 HB ILE 16 HB ILE 16 4.138 -2.889 2.175 100 HG13 ILE 16 2HG1 ILE 16 5.858 -4.894 2.544 101 HG21 ILE 16 1HG2 ILE 16 2.816 -2.299 4.150 102 HG22 ILE 16 2HG2 ILE 16 3.722 -3.454 5.140 103 HG23 ILE 16 3HG2 ILE 16 4.513 -1.993 4.504 104 HD11 ILE 16 3HD1 ILE 16 7.688 -3.319 3.056 105 HD12 ILE 16 1HD1 ILE 16 6.628 -2.697 1.787 106 HD13 ILE 16 2HD1 ILE 16 6.505 -2.046 3.425 107 H VAL 17 H VAL 17 1.866 -3.354 1.058 108 HA VAL 17 HA VAL 17 -0.252 -2.627 2.808 109 HB VAL 17 HB VAL 17 0.075 -2.424 -0.203 110 HG11 VAL 17 1HG1 VAL 17 -1.857 -0.863 -0.205 111 HG12 VAL 17 2HG1 VAL 17 -2.360 -2.505 0.185 112 HG13 VAL 17 3HG1 VAL 17 -2.212 -1.308 1.478 113 HG21 VAL 17 3HG2 VAL 17 1.538 -0.975 1.123 114 HG22 VAL 17 1HG2 VAL 17 0.245 0.023 0.452 115 HG23 VAL 17 2HG2 VAL 17 0.180 -0.459 2.151 116 H ARG 18 H ARG 18 0.046 -5.270 0.410 117 HA ARG 18 HA ARG 18 -2.716 -6.106 0.602 118 HB3 ARG 18 2HB ARG 18 -0.240 -7.727 -0.160 119 HG3 ARG 18 2HG ARG 18 -3.146 -7.974 -1.086 120 HD3 ARG 18 2HD ARG 18 -0.705 -9.754 -1.416 121 HE ARG 18 HE ARG 18 -3.535 -10.207 -1.971 122 HH11 ARG 18 1HH1 ARG 18 -0.189 -11.068 -2.922 123 HH12 ARG 18 2HH1 ARG 18 -0.660 -12.637 -3.492 124 HH21 ARG 18 1HH2 ARG 18 -4.121 -12.275 -2.920 125 HH22 ARG 18 2HH2 ARG 18 -2.845 -13.269 -3.547 126 H ASP 19 H ASP 19 0.310 -7.226 2.111 127 HA ASP 19 HA ASP 19 -0.746 -9.525 3.307 128 HB3 ASP 19 2HB ASP 19 1.726 -7.907 4.053 129 H HIS 20 H HIS 20 -1.050 -6.330 4.207 130 HA HIS 20 HA HIS 20 -1.840 -6.833 7.059 131 HB3 HIS 20 2HB HIS 20 -2.682 -4.444 6.847 132 HD1 HIS 20 1HD HIS 20 0.664 -6.215 7.113 133 HD2 HIS 20 2HD HIS 20 -0.960 -2.323 7.343 134 HE1 HIS 20 1HE HIS 20 2.317 -4.824 8.367 135 H PHE 21 H PHE 21 -3.387 -5.658 3.997 136 HA PHE 21 HA PHE 21 -5.968 -5.727 5.186 137 HB3 PHE 21 2HB PHE 21 -5.694 -5.612 2.219 138 HD1 PHE 21 2HD PHE 21 -8.148 -5.704 4.464 139 HD2 PHE 21 1HD PHE 21 -6.211 -2.667 2.120 140 HE1 PHE 21 2HE PHE 21 -10.024 -4.197 4.911 141 HE2 PHE 21 1HE PHE 21 -8.183 -1.196 2.463 142 HZ PHE 21 HZ PHE 21 -10.078 -1.945 3.890 143 H SER 22 H SER 22 -4.118 -8.272 3.602 144 HA SER 22 HA SER 22 -6.107 -9.944 2.598 145 HB3 SER 22 2HB SER 22 -3.754 -10.417 2.282 146 HG SER 22 HG SER 22 -3.492 -10.998 5.080 147 H ASP 23 H ASP 23 -5.219 -9.244 5.898 148 HA ASP 23 HA ASP 23 -6.577 -11.605 6.972 149 HB3 ASP 23 2HB ASP 23 -5.761 -10.690 9.122 150 H MET 24 H MET 24 -7.561 -8.521 6.003 151 HA MET 24 HA MET 24 -9.542 -8.194 8.214 152 HB3 MET 24 2HB MET 24 -9.502 -5.790 7.701 153 HG3 MET 24 2HG MET 24 -6.686 -6.858 8.133 154 HE1 MET 24 3HE MET 24 -5.722 -3.099 7.427 155 HE2 MET 24 1HE MET 24 -5.335 -4.807 7.115 156 HE3 MET 24 2HE MET 24 -6.839 -4.088 6.459 157 H GLY 25 H GLY 25 -9.612 -9.544 5.273 158 HA2 GLY 25 1HA GLY 25 -12.130 -10.042 4.948 159 HA3 GLY 25 2HA GLY 25 -12.235 -8.348 4.481 160 H GLU 26 H GLU 26 -12.860 -8.838 2.304 161 HA GLU 26 HA GLU 26 -10.811 -10.184 0.616 162 HB3 GLU 26 2HB GLU 26 -12.736 -10.814 -0.844 163 HG3 GLU 26 2HG GLU 26 -12.526 -11.940 1.980 164 H ILE 27 H ILE 27 -9.759 -8.613 -0.147 165 HA ILE 27 HA ILE 27 -10.771 -6.082 -1.104 166 HB ILE 27 HB ILE 27 -8.185 -7.420 -1.917 167 HG13 ILE 27 2HG1 ILE 27 -8.506 -7.360 0.728 168 HG21 ILE 27 1HG2 ILE 27 -8.706 -5.322 -3.046 169 HG22 ILE 27 2HG2 ILE 27 -8.968 -4.496 -1.497 170 HG23 ILE 27 3HG2 ILE 27 -7.351 -5.052 -1.956 171 HD11 ILE 27 3HD1 ILE 27 -6.208 -7.313 1.005 172 HD12 ILE 27 1HD1 ILE 27 -6.385 -7.835 -0.659 173 HD13 ILE 27 2HD1 ILE 27 -5.963 -6.146 -0.313 174 H ALA 28 H ALA 28 -11.334 -5.669 -3.222 175 HA ALA 28 HA ALA 28 -11.742 -7.923 -5.121 176 HB1 ALA 28 1HB ALA 28 -13.602 -6.342 -4.975 177 HB2 ALA 28 2HB ALA 28 -12.526 -4.969 -5.307 178 HB3 ALA 28 3HB ALA 28 -12.814 -6.202 -6.549 179 H THR 29 H THR 29 -10.272 -4.621 -5.046 180 HA THR 29 HA THR 29 -8.192 -5.574 -6.971 181 HB THR 29 HB THR 29 -9.566 -2.882 -7.006 182 HG1 THR 29 1HG THR 29 -10.770 -3.558 -8.580 183 HG21 THR 29 3HG2 THR 29 -7.343 -2.795 -8.010 184 HG22 THR 29 1HG2 THR 29 -8.560 -2.767 -9.289 185 HG23 THR 29 2HG2 THR 29 -7.678 -4.268 -8.957 186 H LEU 30 H LEU 30 -6.186 -5.189 -6.366 187 HA LEU 30 HA LEU 30 -5.552 -2.960 -4.526 188 HB3 LEU 30 2HB LEU 30 -4.360 -5.776 -4.470 189 HG LEU 30 HG LEU 30 -3.711 -3.170 -3.094 190 HD11 LEU 30 1HD1 LEU 30 -2.947 -4.365 -1.056 191 HD12 LEU 30 2HD1 LEU 30 -3.730 -5.845 -1.655 192 HD13 LEU 30 3HD1 LEU 30 -4.708 -4.418 -1.258 193 HD21 LEU 30 3HD2 LEU 30 -2.064 -4.207 -4.626 194 HD22 LEU 30 1HD2 LEU 30 -2.079 -5.688 -3.652 195 HD23 LEU 30 2HD2 LEU 30 -1.462 -4.178 -2.960 196 H TYR 31 H TYR 31 -4.146 -1.592 -5.549 197 HA TYR 31 HA TYR 31 -2.245 -2.429 -7.535 198 HB3 TYR 31 2HB TYR 31 -4.496 -2.278 -8.791 199 HD1 TYR 31 1HD TYR 31 -5.290 -0.107 -6.536 200 HD2 TYR 31 2HD TYR 31 -4.319 0.134 -10.744 201 HE1 TYR 31 1HE TYR 31 -6.821 1.765 -6.770 202 HE2 TYR 31 2HE TYR 31 -5.782 2.126 -10.948 203 HH TYR 31 HH TYR 31 -7.610 3.378 -8.125 204 H VAL 32 H VAL 32 -1.351 -0.150 -8.463 205 HA VAL 32 HA VAL 32 -1.187 1.724 -6.158 206 HB VAL 32 HB VAL 32 1.115 0.956 -7.975 207 HG11 VAL 32 1HG1 VAL 32 2.505 1.731 -6.116 208 HG12 VAL 32 2HG1 VAL 32 1.499 2.953 -6.868 209 HG13 VAL 32 3HG1 VAL 32 1.026 2.293 -5.285 210 HG21 VAL 32 3HG2 VAL 32 1.958 -0.487 -6.074 211 HG22 VAL 32 1HG2 VAL 32 0.392 -0.301 -5.261 212 HG23 VAL 32 2HG2 VAL 32 0.520 -1.170 -6.818 213 H GLN 33 H GLN 33 -1.341 3.827 -6.763 214 HA GLN 33 HA GLN 33 -1.427 4.429 -9.693 215 HB3 GLN 33 2HB GLN 33 -2.685 6.460 -9.033 216 HG3 GLN 33 2HG GLN 33 -4.196 4.037 -8.036 217 HE21 GLN 33 1HE2 GLN 33 -5.725 5.890 -7.353 218 HE22 GLN 33 2HE2 GLN 33 -6.655 6.671 -8.573 219 H VAL 34 H VAL 34 0.813 4.452 -7.267 220 HA VAL 34 HA VAL 34 2.495 6.474 -8.446 221 HB VAL 34 HB VAL 34 1.032 8.067 -7.536 222 HG11 VAL 34 1HG1 VAL 34 0.924 6.485 -4.963 223 HG12 VAL 34 2HG1 VAL 34 0.278 8.130 -5.162 224 HG13 VAL 34 3HG1 VAL 34 -0.421 6.803 -6.078 225 HG21 VAL 34 3HG2 VAL 34 2.278 9.233 -5.810 226 HG22 VAL 34 1HG2 VAL 34 3.207 7.771 -5.456 227 HG23 VAL 34 2HG2 VAL 34 3.362 8.573 -7.027 228 H TYR 35 H TYR 35 4.511 5.533 -8.132 229 HA TYR 35 HA TYR 35 4.914 3.829 -5.712 230 HB3 TYR 35 2HB TYR 35 5.753 3.403 -8.587 231 HD1 TYR 35 1HD TYR 35 6.107 1.563 -5.287 232 HD2 TYR 35 2HD TYR 35 8.049 2.959 -8.877 233 HE1 TYR 35 1HE TYR 35 8.233 0.518 -4.551 234 HE2 TYR 35 2HE TYR 35 10.134 1.842 -8.181 235 HH TYR 35 HH TYR 35 10.575 0.463 -4.900 236 H GLU 36 H GLU 36 6.446 4.607 -4.416 237 HA GLU 36 HA GLU 36 8.225 6.750 -5.358 238 HB3 GLU 36 2HB GLU 36 8.783 6.512 -2.756 239 HG3 GLU 36 2HG GLU 36 7.934 8.545 -3.725 240 H SER 37 H SER 37 9.653 5.656 -6.669 241 HA SER 37 HA SER 37 11.039 3.262 -5.978 242 HB3 SER 37 2HB SER 37 11.933 5.403 -7.943 243 HG SER 37 HG SER 37 12.448 3.698 -9.198 244 H SER 38 H SER 38 11.497 6.446 -4.791 245 HA SER 38 HA SER 38 14.363 5.924 -4.154 246 HB3 SER 38 2HB SER 38 13.144 8.652 -4.229 247 HG SER 38 HG SER 38 15.136 9.190 -5.017 248 H LEU 39 H LEU 39 11.469 5.625 -2.682 249 HA LEU 39 HA LEU 39 12.432 6.244 -0.031 250 HB3 LEU 39 2HB LEU 39 10.290 7.369 0.581 251 HG LEU 39 HG LEU 39 11.785 8.925 -1.533 252 HD11 LEU 39 1HD1 LEU 39 9.525 9.814 -1.103 253 HD12 LEU 39 2HD1 LEU 39 10.783 10.910 -0.527 254 HD13 LEU 39 3HD1 LEU 39 9.886 9.889 0.638 255 HD21 LEU 39 3HD2 LEU 39 13.248 8.292 0.351 256 HD22 LEU 39 1HD2 LEU 39 12.046 8.893 1.522 257 HD23 LEU 39 2HD2 LEU 39 12.903 10.007 0.409 258 H GLU 40 H GLU 40 9.699 5.587 1.039 259 HA GLU 40 HA GLU 40 9.295 2.892 -0.085 260 HB3 GLU 40 2HB GLU 40 9.318 1.882 2.101 261 HG3 GLU 40 2HG GLU 40 11.862 3.392 1.449 262 H SER 41 H SER 41 7.463 4.380 -0.984 263 HA SER 41 HA SER 41 5.320 4.823 1.033 264 HB3 SER 41 2HB SER 41 5.403 6.470 -1.450 265 HG SER 41 HG SER 41 4.240 7.690 -0.278 266 H LEU 42 H LEU 42 3.285 4.135 0.425 267 HA LEU 42 HA LEU 42 2.900 3.112 -2.325 268 HB3 LEU 42 2HB LEU 42 2.000 1.504 0.078 269 HG LEU 42 HG LEU 42 1.722 -0.324 -1.497 270 HD11 LEU 42 1HD1 LEU 42 -0.241 1.314 -1.366 271 HD12 LEU 42 2HD1 LEU 42 -0.183 0.201 -2.736 272 HD13 LEU 42 3HD1 LEU 42 0.283 1.891 -2.957 273 HD21 LEU 42 3HD2 LEU 42 3.599 0.350 -2.957 274 HD22 LEU 42 1HD2 LEU 42 2.538 1.501 -3.755 275 HD23 LEU 42 2HD2 LEU 42 2.172 -0.250 -3.799 276 H VAL 43 H VAL 43 1.340 4.546 -3.005 277 HA VAL 43 HA VAL 43 -1.170 4.698 -1.424 278 HB VAL 43 HB VAL 43 0.041 6.963 -3.050 279 HG11 VAL 43 1HG1 VAL 43 -1.632 8.346 -1.769 280 HG12 VAL 43 2HG1 VAL 43 -2.337 7.224 -2.921 281 HG13 VAL 43 3HG1 VAL 43 -2.344 6.833 -1.183 282 HG21 VAL 43 3HG2 VAL 43 1.522 6.730 -1.196 283 HG22 VAL 43 1HG2 VAL 43 0.458 8.091 -0.853 284 HG23 VAL 43 2HG2 VAL 43 0.178 6.518 -0.072 285 H GLY 44 H GLY 44 -3.110 5.058 -2.807 286 HA2 GLY 44 1HA GLY 44 -3.588 5.189 -5.353 287 HA3 GLY 44 2HA GLY 44 -2.877 3.568 -5.386 288 H GLY 45 H GLY 45 -4.857 4.289 -2.534 289 HA2 GLY 45 1HA GLY 45 -6.679 3.331 -1.833 290 HA3 GLY 45 2HA GLY 45 -7.292 3.445 -3.487 291 H VAL 46 H VAL 46 -8.248 1.531 -1.873 292 HA VAL 46 HA VAL 46 -7.587 -0.919 -3.309 293 HB VAL 46 HB VAL 46 -7.973 -2.068 -0.891 294 HG11 VAL 46 1HG1 VAL 46 -5.267 -1.141 -1.843 295 HG12 VAL 46 2HG1 VAL 46 -5.603 -2.422 -0.667 296 HG13 VAL 46 3HG1 VAL 46 -6.164 -2.605 -2.339 297 HG21 VAL 46 3HG2 VAL 46 -8.098 0.019 0.403 298 HG22 VAL 46 1HG2 VAL 46 -6.667 -0.920 0.866 299 HG23 VAL 46 2HG2 VAL 46 -6.468 0.492 -0.147 300 H ILE 47 H ILE 47 -9.366 -1.983 -3.837 301 HA ILE 47 HA ILE 47 -11.969 -0.739 -3.100 302 HB ILE 47 HB ILE 47 -11.137 -2.383 -5.548 303 HG13 ILE 47 2HG1 ILE 47 -11.600 0.625 -5.412 304 HG21 ILE 47 1HG2 ILE 47 -13.535 -2.600 -4.985 305 HG22 ILE 47 2HG2 ILE 47 -13.700 -0.835 -4.950 306 HG23 ILE 47 3HG2 ILE 47 -13.335 -1.679 -6.467 307 HD11 ILE 47 3HD1 ILE 47 -9.244 0.376 -5.039 308 HD12 ILE 47 1HD1 ILE 47 -9.122 -0.929 -6.241 309 HD13 ILE 47 2HD1 ILE 47 -9.459 0.734 -6.747 310 H PHE 48 H PHE 48 -13.222 -2.077 -1.765 311 HA PHE 48 HA PHE 48 -12.537 -4.935 -1.495 312 HB3 PHE 48 2HB PHE 48 -14.901 -4.356 -0.055 313 HD1 PHE 48 2HD PHE 48 -11.179 -3.721 0.354 314 HD2 PHE 48 1HD PHE 48 -14.720 -5.741 1.812 315 HE1 PHE 48 2HE PHE 48 -9.819 -4.980 1.971 316 HE2 PHE 48 1HE PHE 48 -13.382 -6.902 3.480 317 HZ PHE 48 HZ PHE 48 -10.889 -6.550 3.570 318 H GLU 49 H GLU 49 -14.038 -6.654 -1.816 319 HA GLU 49 HA GLU 49 -15.642 -6.622 -4.129 320 HB3 GLU 49 2HB GLU 49 -16.612 -8.663 -3.090 321 HG3 GLU 49 2HG GLU 49 -13.576 -8.702 -3.046 322 H ASP 50 H ASP 50 -16.411 -6.267 -0.694 323 HA ASP 50 HA ASP 50 -19.287 -5.947 -1.167 324 HB3 ASP 50 2HB ASP 50 -17.810 -5.987 1.456 325 H GLY 51 H GLY 51 -17.227 -3.911 -1.942 326 HA2 GLY 51 1HA GLY 51 -17.626 -1.824 -2.526 327 HA3 GLY 51 2HA GLY 51 -19.127 -1.859 -1.584 328 H ARG 52 H ARG 52 -15.628 -1.874 -0.789 329 HA ARG 52 HA ARG 52 -16.066 0.445 1.034 330 HB3 ARG 52 2HB ARG 52 -15.071 -0.558 2.871 331 HG3 ARG 52 2HG ARG 52 -16.799 -2.703 1.596 332 HD3 ARG 52 2HD ARG 52 -16.233 -2.314 4.542 333 HE ARG 52 HE ARG 52 -17.729 -4.597 3.407 334 HH11 ARG 52 1HH1 ARG 52 -18.052 -1.370 4.861 335 HH12 ARG 52 2HH1 ARG 52 -19.751 -1.529 5.115 336 HH21 ARG 52 1HH2 ARG 52 -20.002 -4.709 3.573 337 HH22 ARG 52 2HH2 ARG 52 -20.905 -3.519 4.417 338 H HIS 53 H HIS 53 -15.082 1.780 -0.467 339 HA HIS 53 HA HIS 53 -12.437 1.020 -1.549 340 HB3 HIS 53 2HB HIS 53 -14.143 3.453 -2.127 341 HD1 HIS 53 1HD HIS 53 -13.642 4.384 -4.741 342 HD2 HIS 53 2HD HIS 53 -10.800 1.781 -2.983 343 HE1 HIS 53 1HE HIS 53 -11.587 4.521 -6.178 344 H TYR 54 H TYR 54 -10.649 1.705 -0.490 345 HA TYR 54 HA TYR 54 -10.813 4.079 1.323 346 HB3 TYR 54 2HB TYR 54 -9.368 2.780 2.860 347 HD1 TYR 54 1HD TYR 54 -11.842 3.862 3.285 348 HD2 TYR 54 2HD TYR 54 -11.029 -0.264 2.529 349 HE1 TYR 54 1HE TYR 54 -13.851 3.326 4.522 350 HE2 TYR 54 2HE TYR 54 -12.923 -0.904 4.014 351 HH TYR 54 HH TYR 54 -14.399 -0.063 5.685 352 H THR 55 H THR 55 -9.054 5.479 1.258 353 HA THR 55 HA THR 55 -7.380 5.206 -1.175 354 HB THR 55 HB THR 55 -7.106 7.708 -0.600 355 HG1 THR 55 1HG THR 55 -9.407 7.937 0.760 356 HG21 THR 55 3HG2 THR 55 -9.441 8.281 -1.344 357 HG22 THR 55 1HG2 THR 55 -9.821 6.554 -1.137 358 HG23 THR 55 2HG2 THR 55 -8.617 7.071 -2.342 359 H PHE 56 H PHE 56 -6.426 3.426 0.490 360 HA PHE 56 HA PHE 56 -4.945 3.970 2.725 361 HB3 PHE 56 2HB PHE 56 -3.343 2.111 1.682 362 HD1 PHE 56 1HD PHE 56 -7.023 2.373 2.489 363 HD2 PHE 56 2HD PHE 56 -3.400 0.049 2.773 364 HE1 PHE 56 1HE PHE 56 -8.088 0.882 4.162 365 HE2 PHE 56 2HE PHE 56 -4.504 -1.446 4.403 366 HZ PHE 56 HZ PHE 56 -6.811 -1.064 5.105 367 H VAL 57 H VAL 57 -3.337 5.268 3.277 368 HA VAL 57 HA VAL 57 -1.191 5.804 1.330 369 HB VAL 57 HB VAL 57 -2.036 7.441 3.775 370 HG11 VAL 57 1HG1 VAL 57 -0.307 9.066 2.938 371 HG12 VAL 57 2HG1 VAL 57 0.382 7.544 3.494 372 HG13 VAL 57 3HG1 VAL 57 0.221 7.868 1.757 373 HG21 VAL 57 3HG2 VAL 57 -3.596 7.837 1.937 374 HG22 VAL 57 1HG2 VAL 57 -2.565 9.245 2.175 375 HG23 VAL 57 2HG2 VAL 57 -2.245 8.141 0.820 376 H TYR 58 H TYR 58 0.521 4.537 1.819 377 HA TYR 58 HA TYR 58 1.170 4.090 4.692 378 HB3 TYR 58 2HB TYR 58 2.050 2.528 2.249 379 HD1 TYR 58 1HD TYR 58 1.799 1.881 5.953 380 HD2 TYR 58 2HD TYR 58 4.378 2.088 2.507 381 HE1 TYR 58 1HE TYR 58 3.582 0.773 7.248 382 HE2 TYR 58 2HE TYR 58 6.143 0.909 3.758 383 HH TYR 58 HH TYR 58 5.820 0.054 7.225 384 H GLU 59 H GLU 59 2.211 5.942 5.153 385 HA GLU 59 HA GLU 59 4.264 7.082 3.323 386 HB3 GLU 59 2HB GLU 59 2.845 8.023 5.832 387 HG3 GLU 59 2HG GLU 59 5.204 8.597 6.321 388 H ASN 60 H ASN 60 6.001 5.729 3.477 389 HA ASN 60 HA ASN 60 7.966 5.071 4.250 390 HB3 ASN 60 2HB ASN 60 7.478 6.622 6.821 391 HD21 ASN 60 1HD2 ASN 60 9.586 4.399 5.992 392 HD22 ASN 60 2HD2 ASN 60 11.070 5.274 6.119 393 H GLU 61 H GLU 61 6.072 5.081 7.234 394 HA GLU 61 HA GLU 61 6.515 2.233 7.692 395 HB3 GLU 61 2HB GLU 61 7.325 2.496 9.959 396 HG3 GLU 61 2HG GLU 61 9.267 4.285 8.530 397 H ASP 62 H ASP 62 4.300 4.589 7.303 398 HA ASP 62 HA ASP 62 2.601 3.821 9.594 399 HB3 ASP 62 2HB ASP 62 2.248 6.622 8.866 400 H LEU 63 H LEU 63 0.966 2.789 8.770 401 HA LEU 63 HA LEU 63 -0.340 3.525 6.223 402 HB3 LEU 63 2HB LEU 63 -0.710 1.306 8.247 403 HG LEU 63 HG LEU 63 -3.003 1.853 7.550 404 HD11 LEU 63 1HD1 LEU 63 -2.624 2.951 5.348 405 HD12 LEU 63 2HD1 LEU 63 -3.745 1.597 5.219 406 HD13 LEU 63 3HD1 LEU 63 -2.060 1.409 4.675 407 HD21 LEU 63 3HD2 LEU 63 -3.567 -0.375 6.676 408 HD22 LEU 63 1HD2 LEU 63 -2.295 -0.480 7.898 409 HD23 LEU 63 2HD2 LEU 63 -1.881 -0.617 6.182 410 H VAL 64 H VAL 64 -1.867 5.110 6.240 411 HA VAL 64 HA VAL 64 -3.822 4.989 8.446 412 HB VAL 64 HB VAL 64 -2.910 7.633 7.298 413 HG11 VAL 64 1HG1 VAL 64 -4.801 6.858 9.570 414 HG12 VAL 64 2HG1 VAL 64 -4.276 8.512 9.227 415 HG13 VAL 64 3HG1 VAL 64 -5.236 7.642 8.042 416 HG21 VAL 64 3HG2 VAL 64 -1.933 8.074 9.584 417 HG22 VAL 64 1HG2 VAL 64 -2.160 6.357 9.973 418 HG23 VAL 64 2HG2 VAL 64 -1.061 6.843 8.680 419 H TYR 65 H TYR 65 -5.830 4.825 7.690 420 HA TYR 65 HA TYR 65 -6.334 5.505 4.847 421 HB3 TYR 65 2HB TYR 65 -6.186 3.164 5.017 422 HD1 TYR 65 1HD TYR 65 -9.308 3.975 7.064 423 HD2 TYR 65 2HD TYR 65 -5.900 1.387 6.448 424 HE1 TYR 65 1HE TYR 65 -10.058 2.532 8.907 425 HE2 TYR 65 2HE TYR 65 -6.728 -0.136 8.201 426 HH TYR 65 HH TYR 65 -9.128 -0.634 9.225 427 H GLU 66 H GLU 66 -8.720 5.750 4.382 428 HA GLU 66 HA GLU 66 -10.421 6.704 6.533 429 HB3 GLU 66 2HB GLU 66 -10.234 8.838 4.577 430 HG3 GLU 66 2HG GLU 66 -8.942 9.824 6.756 431 H GLU 67 H GLU 67 -10.667 7.618 3.063 432 HA GLU 67 HA GLU 67 -12.424 5.518 2.254 433 HB3 GLU 67 2HB GLU 67 -13.635 8.157 3.134 434 HG3 GLU 67 2HG GLU 67 -14.575 5.973 1.352 435 H GLU 68 H GLU 68 -13.270 5.990 0.089 436 HA GLU 68 HA GLU 68 -11.459 7.419 -1.650 437 HB3 GLU 68 2HB GLU 68 -12.820 5.227 -1.898 438 HG3 GLU 68 2HG GLU 68 -14.919 6.915 -2.140 439 H VAL 69 H VAL 69 -11.414 9.444 -2.291 440 HA VAL 69 HA VAL 69 -13.880 10.944 -2.442 441 HB VAL 69 HB VAL 69 -11.490 12.178 -1.025 442 HG11 VAL 69 1HG1 VAL 69 -13.097 13.680 -2.216 443 HG12 VAL 69 2HG1 VAL 69 -14.414 13.013 -1.239 444 HG13 VAL 69 3HG1 VAL 69 -13.114 13.940 -0.466 445 HG21 VAL 69 3HG2 VAL 69 -12.341 10.477 0.555 446 HG22 VAL 69 1HG2 VAL 69 -12.779 12.106 1.095 447 HG23 VAL 69 2HG2 VAL 69 -13.996 11.075 0.308 448 H LEU 70 H LEU 70 -13.778 11.209 -4.570 449 HA LEU 70 HA LEU 70 -11.262 11.879 -5.968 450 HB3 LEU 70 2HB LEU 70 -12.624 9.949 -7.589 451 HG LEU 70 HG LEU 70 -10.135 9.751 -5.851 452 HD11 LEU 70 1HD1 LEU 70 -11.028 7.996 -8.180 453 HD12 LEU 70 2HD1 LEU 70 -11.094 7.541 -6.473 454 HD13 LEU 70 3HD1 LEU 70 -9.524 7.836 -7.246 455 HD21 LEU 70 3HD2 LEU 70 -8.903 10.139 -7.947 456 HD22 LEU 70 1HD2 LEU 70 -9.964 11.514 -7.635 457 HD23 LEU 70 2HD2 LEU 70 -10.425 10.310 -8.849 Start of MODEL 5 1 H1 GLY 1 H GLY 1 30.183 -7.252 5.190 2 HA2 GLY 1 1HA GLY 1 31.854 -5.559 4.531 3 HA3 GLY 1 2HA GLY 1 31.413 -5.904 2.838 4 H ASP 2 H ASP 2 30.937 -3.583 5.112 5 HA ASP 2 HA ASP 2 28.017 -3.658 5.137 6 HB3 ASP 2 2HB ASP 2 28.964 -1.520 6.747 7 H ASP 3 H ASP 3 29.937 -2.508 2.848 8 HA ASP 3 HA ASP 3 27.857 -0.474 2.202 9 HB3 ASP 3 2HB ASP 3 30.602 -0.709 0.951 10 H ARG 4 H ARG 4 26.352 -1.969 1.766 11 HA ARG 4 HA ARG 4 26.332 -2.506 -1.005 12 HB3 ARG 4 2HB ARG 4 25.730 -4.984 0.658 13 HG3 ARG 4 2HG ARG 4 26.341 -4.631 -2.315 14 HD3 ARG 4 2HD ARG 4 25.131 -6.915 -0.703 15 HE ARG 4 HE ARG 4 24.359 -7.424 -2.772 16 HH11 ARG 4 1HH1 ARG 4 27.759 -6.391 -3.127 17 HH12 ARG 4 2HH1 ARG 4 28.013 -7.224 -4.613 18 HH21 ARG 4 1HH2 ARG 4 24.588 -8.163 -4.959 19 HH22 ARG 4 2HH2 ARG 4 26.166 -8.284 -5.666 20 H LYS 5 H LYS 5 24.969 -0.630 0.643 21 HA LYS 5 HA LYS 5 22.688 -1.969 1.747 22 HB3 LYS 5 2HB LYS 5 22.647 1.013 1.703 23 HG3 LYS 5 2HG LYS 5 22.286 -1.144 3.833 24 HD3 LYS 5 2HD LYS 5 20.751 1.448 3.857 25 HE3 LYS 5 2HE LYS 5 20.956 1.090 6.299 26 HZ1 LYS 5 3HZ LYS 5 19.668 -0.866 6.500 27 HZ2 LYS 5 1HZ LYS 5 20.168 -1.502 5.083 28 HZ3 LYS 5 2HZ LYS 5 19.177 -0.203 5.104 29 H LEU 6 H LEU 6 20.981 -2.498 0.560 30 HA LEU 6 HA LEU 6 20.316 -0.936 -1.893 31 HB3 LEU 6 2HB LEU 6 19.332 -2.940 -2.737 32 HG LEU 6 HG LEU 6 21.939 -3.858 -1.474 33 HD11 LEU 6 1HD1 LEU 6 20.584 -5.621 -2.421 34 HD12 LEU 6 2HD1 LEU 6 22.044 -5.351 -3.392 35 HD13 LEU 6 3HD1 LEU 6 20.466 -4.713 -3.945 36 HD21 LEU 6 3HD2 LEU 6 22.444 -1.762 -2.622 37 HD22 LEU 6 1HD2 LEU 6 21.587 -2.325 -4.068 38 HD23 LEU 6 2HD2 LEU 6 23.075 -3.124 -3.539 39 H MET 7 H MET 7 18.280 0.039 -1.924 40 HA MET 7 HA MET 7 16.630 -0.023 0.469 41 HB3 MET 7 2HB MET 7 16.941 2.084 -0.685 42 HG3 MET 7 2HG MET 7 15.789 0.638 -3.096 43 HE1 MET 7 3HE MET 7 13.449 2.317 -1.862 44 HE2 MET 7 1HE MET 7 12.952 3.094 -3.380 45 HE3 MET 7 2HE MET 7 13.520 1.417 -3.388 46 H LYS 8 H LYS 8 14.240 -0.220 0.002 47 HA LYS 8 HA LYS 8 13.532 -2.870 -0.582 48 HB3 LYS 8 2HB LYS 8 11.175 -2.062 -0.419 49 HG3 LYS 8 2HG LYS 8 12.744 -0.600 1.694 50 HD3 LYS 8 2HD LYS 8 10.316 -2.434 1.861 51 HE3 LYS 8 2HE LYS 8 11.388 -0.345 3.799 52 HZ1 LYS 8 3HZ LYS 8 10.147 -1.827 5.355 53 HZ2 LYS 8 1HZ LYS 8 9.446 -2.571 4.101 54 HZ3 LYS 8 2HZ LYS 8 9.162 -0.967 4.376 55 H THR 9 H THR 9 11.436 -3.266 -2.040 56 HA THR 9 HA THR 9 11.925 -2.220 -4.755 57 HB THR 9 HB THR 9 11.500 -4.519 -5.596 58 HG1 THR 9 1HG THR 9 11.322 -6.195 -4.340 59 HG21 THR 9 3HG2 THR 9 13.777 -3.626 -5.405 60 HG22 THR 9 1HG2 THR 9 13.702 -5.392 -5.225 61 HG23 THR 9 2HG2 THR 9 13.921 -4.352 -3.784 62 H GLN 10 H GLN 10 10.027 -2.788 -6.173 63 HA GLN 10 HA GLN 10 7.651 -1.605 -5.258 64 HB3 GLN 10 2HB GLN 10 7.886 -3.580 -7.586 65 HG3 GLN 10 2HG GLN 10 6.873 -1.468 -8.781 66 HE21 GLN 10 1HE2 GLN 10 4.539 -1.748 -6.437 67 HE22 GLN 10 2HE2 GLN 10 3.740 -3.176 -7.047 68 H GLU 11 H GLU 11 8.674 -4.990 -5.367 69 HA GLU 11 HA GLU 11 6.347 -6.379 -4.660 70 HB3 GLU 11 2HB GLU 11 8.158 -7.802 -3.297 71 HG3 GLU 11 2HG GLU 11 7.950 -7.373 -6.265 72 H GLU 12 H GLU 12 8.843 -5.083 -2.427 73 HA GLU 12 HA GLU 12 7.618 -6.037 -0.099 74 HB3 GLU 12 2HB GLU 12 9.079 -4.352 1.076 75 HG3 GLU 12 2HG GLU 12 10.644 -5.726 -1.127 76 H LEU 13 H LEU 13 7.463 -2.755 -1.496 77 HA LEU 13 HA LEU 13 5.846 -1.580 0.545 78 HB3 LEU 13 2HB LEU 13 5.100 -0.126 -1.549 79 HG LEU 13 HG LEU 13 6.569 1.160 -0.466 80 HD11 LEU 13 1HD1 LEU 13 8.738 -0.965 -0.606 81 HD12 LEU 13 2HD1 LEU 13 7.766 -0.487 0.831 82 HD13 LEU 13 3HD1 LEU 13 8.887 0.654 0.114 83 HD21 LEU 13 3HD2 LEU 13 8.329 1.831 -2.022 84 HD22 LEU 13 1HD2 LEU 13 6.891 1.359 -2.935 85 HD23 LEU 13 2HD2 LEU 13 8.275 0.241 -2.816 86 H THR 14 H THR 14 4.887 -3.223 -2.533 87 HA THR 14 HA THR 14 2.100 -2.746 -2.073 88 HB THR 14 HB THR 14 3.565 -4.735 -3.859 89 HG1 THR 14 1HG THR 14 2.275 -2.401 -4.678 90 HG21 THR 14 3HG2 THR 14 1.129 -5.335 -3.550 91 HG22 THR 14 1HG2 THR 14 1.441 -4.757 -5.178 92 HG23 THR 14 2HG2 THR 14 0.678 -3.683 -4.009 93 H GLU 15 H GLU 15 4.332 -5.475 -1.262 94 HA GLU 15 HA GLU 15 2.249 -7.216 -0.405 95 HB3 GLU 15 2HB GLU 15 4.296 -8.266 0.898 96 HG3 GLU 15 2HG GLU 15 5.142 -9.309 -1.146 97 H ILE 16 H ILE 16 4.207 -4.812 1.396 98 HA ILE 16 HA ILE 16 3.212 -5.397 3.977 99 HB ILE 16 HB ILE 16 3.878 -2.704 2.664 100 HG13 ILE 16 2HG1 ILE 16 5.713 -4.593 3.079 101 HG21 ILE 16 1HG2 ILE 16 4.108 -1.866 5.044 102 HG22 ILE 16 2HG2 ILE 16 2.454 -2.219 4.580 103 HG23 ILE 16 3HG2 ILE 16 3.349 -3.363 5.603 104 HD11 ILE 16 3HD1 ILE 16 6.185 -2.100 2.566 105 HD12 ILE 16 1HD1 ILE 16 6.334 -1.908 4.327 106 HD13 ILE 16 2HD1 ILE 16 7.422 -2.999 3.457 107 H VAL 17 H VAL 17 1.898 -3.071 1.548 108 HA VAL 17 HA VAL 17 -0.450 -2.580 3.063 109 HB VAL 17 HB VAL 17 0.293 -2.083 0.164 110 HG11 VAL 17 1HG1 VAL 17 -2.128 -2.018 0.189 111 HG12 VAL 17 2HG1 VAL 17 -2.137 -1.169 1.733 112 HG13 VAL 17 3HG1 VAL 17 -1.577 -0.341 0.263 113 HG21 VAL 17 3HG2 VAL 17 0.547 0.261 1.069 114 HG22 VAL 17 1HG2 VAL 17 0.380 -0.403 2.697 115 HG23 VAL 17 2HG2 VAL 17 1.741 -0.887 1.645 116 H ARG 18 H ARG 18 0.239 -5.172 0.719 117 HA ARG 18 HA ARG 18 -2.492 -6.042 0.432 118 HB3 ARG 18 2HB ARG 18 -0.119 -7.966 0.377 119 HG3 ARG 18 2HG ARG 18 -2.483 -7.570 -1.499 120 HD3 ARG 18 2HD ARG 18 -0.268 -9.012 -2.014 121 HE ARG 18 HE ARG 18 -1.993 -10.773 -0.360 122 HH11 ARG 18 1HH1 ARG 18 1.106 -10.602 -2.064 123 HH12 ARG 18 2HH1 ARG 18 1.317 -12.305 -2.075 124 HH21 ARG 18 1HH2 ARG 18 -1.453 -12.872 -0.018 125 HH22 ARG 18 2HH2 ARG 18 -0.020 -13.578 -0.726 126 H ASP 19 H ASP 19 0.192 -7.249 2.509 127 HA ASP 19 HA ASP 19 -1.210 -9.175 3.981 128 HB3 ASP 19 2HB ASP 19 1.079 -7.342 4.824 129 H HIS 20 H HIS 20 -0.811 -5.710 4.459 130 HA HIS 20 HA HIS 20 -2.146 -5.677 7.042 131 HB3 HIS 20 2HB HIS 20 -2.164 -3.094 6.531 132 HD1 HIS 20 1HD HIS 20 -0.755 -2.407 8.648 133 HD2 HIS 20 2HD HIS 20 1.025 -5.409 6.236 134 HE1 HIS 20 1HE HIS 20 1.311 -3.118 9.815 135 H PHE 21 H PHE 21 -3.558 -5.979 3.955 136 HA PHE 21 HA PHE 21 -6.164 -5.215 5.157 137 HB3 PHE 21 2HB PHE 21 -6.126 -5.474 2.243 138 HD1 PHE 21 1HD PHE 21 -8.450 -5.299 3.804 139 HD2 PHE 21 2HD PHE 21 -5.737 -2.146 2.763 140 HE1 PHE 21 1HE PHE 21 -10.291 -3.631 4.090 141 HE2 PHE 21 2HE PHE 21 -7.567 -0.492 2.976 142 HZ PHE 21 HZ PHE 21 -9.859 -1.228 3.668 143 H SER 22 H SER 22 -4.245 -7.791 3.761 144 HA SER 22 HA SER 22 -6.220 -9.390 2.645 145 HB3 SER 22 2HB SER 22 -3.611 -10.117 4.021 146 HG SER 22 HG SER 22 -4.609 -12.017 3.580 147 H ASP 23 H ASP 23 -5.769 -8.702 5.991 148 HA ASP 23 HA ASP 23 -7.462 -11.040 6.784 149 HB3 ASP 23 2HB ASP 23 -6.644 -10.407 9.122 150 H MET 24 H MET 24 -8.425 -8.615 5.491 151 HA MET 24 HA MET 24 -10.454 -7.959 7.538 152 HB3 MET 24 2HB MET 24 -10.507 -5.580 6.632 153 HG3 MET 24 2HG MET 24 -7.954 -6.265 8.106 154 HE1 MET 24 3HE MET 24 -6.709 -4.102 7.492 155 HE2 MET 24 1HE MET 24 -7.957 -3.743 6.279 156 HE3 MET 24 2HE MET 24 -7.440 -2.487 7.414 157 H GLY 25 H GLY 25 -10.178 -9.655 4.868 158 HA2 GLY 25 1HA GLY 25 -12.493 -10.193 4.045 159 HA3 GLY 25 2HA GLY 25 -12.643 -8.521 3.576 160 H GLU 26 H GLU 26 -13.115 -9.201 1.447 161 HA GLU 26 HA GLU 26 -10.842 -10.265 -0.152 162 HB3 GLU 26 2HB GLU 26 -12.609 -10.705 -1.861 163 HG3 GLU 26 2HG GLU 26 -12.549 -12.126 0.836 164 H ILE 27 H ILE 27 -9.736 -8.713 -0.930 165 HA ILE 27 HA ILE 27 -10.671 -6.114 -1.811 166 HB ILE 27 HB ILE 27 -8.162 -7.736 -2.436 167 HG13 ILE 27 2HG1 ILE 27 -8.851 -5.972 -0.142 168 HG21 ILE 27 1HG2 ILE 27 -8.901 -4.884 -3.110 169 HG22 ILE 27 2HG2 ILE 27 -7.254 -5.489 -3.133 170 HG23 ILE 27 3HG2 ILE 27 -8.439 -6.225 -4.207 171 HD11 ILE 27 3HD1 ILE 27 -6.855 -7.042 0.859 172 HD12 ILE 27 1HD1 ILE 27 -7.795 -8.309 0.064 173 HD13 ILE 27 2HD1 ILE 27 -6.345 -7.642 -0.709 174 H ALA 28 H ALA 28 -11.585 -5.670 -3.799 175 HA ALA 28 HA ALA 28 -12.153 -7.844 -5.730 176 HB1 ALA 28 1HB ALA 28 -12.818 -4.862 -5.748 177 HB2 ALA 28 2HB ALA 28 -13.310 -6.027 -6.991 178 HB3 ALA 28 3HB ALA 28 -13.929 -6.191 -5.355 179 H THR 29 H THR 29 -10.116 -4.914 -5.371 180 HA THR 29 HA THR 29 -8.446 -5.775 -7.637 181 HB THR 29 HB THR 29 -9.799 -3.041 -7.463 182 HG1 THR 29 1HG THR 29 -10.536 -5.292 -8.654 183 HG21 THR 29 3HG2 THR 29 -8.690 -2.474 -9.572 184 HG22 THR 29 1HG2 THR 29 -7.783 -3.997 -9.519 185 HG23 THR 29 2HG2 THR 29 -7.503 -2.739 -8.285 186 H LEU 30 H LEU 30 -6.425 -5.672 -6.831 187 HA LEU 30 HA LEU 30 -5.725 -3.587 -4.839 188 HB3 LEU 30 2HB LEU 30 -4.294 -6.210 -5.372 189 HG LEU 30 HG LEU 30 -3.662 -6.083 -3.016 190 HD11 LEU 30 1HD1 LEU 30 -2.626 -3.524 -4.220 191 HD12 LEU 30 2HD1 LEU 30 -2.272 -5.073 -5.006 192 HD13 LEU 30 3HD1 LEU 30 -1.762 -4.800 -3.340 193 HD21 LEU 30 3HD2 LEU 30 -3.742 -4.134 -1.639 194 HD22 LEU 30 1HD2 LEU 30 -5.355 -4.723 -2.032 195 HD23 LEU 30 2HD2 LEU 30 -4.709 -3.277 -2.840 196 H TYR 31 H TYR 31 -4.145 -2.152 -5.658 197 HA TYR 31 HA TYR 31 -2.329 -2.914 -7.740 198 HB3 TYR 31 2HB TYR 31 -4.321 -2.305 -9.132 199 HD1 TYR 31 1HD TYR 31 -5.111 -0.448 -6.611 200 HD2 TYR 31 2HD TYR 31 -3.979 0.350 -10.665 201 HE1 TYR 31 1HE TYR 31 -6.655 1.445 -6.615 202 HE2 TYR 31 2HE TYR 31 -5.397 2.378 -10.633 203 HH TYR 31 HH TYR 31 -7.663 3.094 -7.958 204 H VAL 32 H VAL 32 -1.340 -0.458 -8.388 205 HA VAL 32 HA VAL 32 -0.982 1.088 -5.917 206 HB VAL 32 HB VAL 32 1.261 0.251 -7.807 207 HG11 VAL 32 1HG1 VAL 32 1.302 2.049 -5.463 208 HG12 VAL 32 2HG1 VAL 32 2.747 1.128 -6.000 209 HG13 VAL 32 3HG1 VAL 32 1.962 2.206 -7.118 210 HG21 VAL 32 3HG2 VAL 32 0.718 -0.648 -4.926 211 HG22 VAL 32 1HG2 VAL 32 0.657 -1.709 -6.361 212 HG23 VAL 32 2HG2 VAL 32 2.190 -1.000 -5.866 213 H GLN 33 H GLN 33 -0.975 3.297 -6.515 214 HA GLN 33 HA GLN 33 -1.039 3.867 -9.467 215 HB3 GLN 33 2HB GLN 33 -2.135 5.968 -8.849 216 HG3 GLN 33 2HG GLN 33 -3.854 3.885 -7.545 217 HE21 GLN 33 1HE2 GLN 33 -5.356 5.704 -7.316 218 HE22 GLN 33 2HE2 GLN 33 -6.077 6.447 -8.698 219 H VAL 34 H VAL 34 1.173 3.747 -7.021 220 HA VAL 34 HA VAL 34 2.934 5.680 -8.213 221 HB VAL 34 HB VAL 34 1.603 7.322 -7.184 222 HG11 VAL 34 1HG1 VAL 34 0.282 6.059 -5.577 223 HG12 VAL 34 2HG1 VAL 34 1.716 5.853 -4.549 224 HG13 VAL 34 3HG1 VAL 34 1.046 7.467 -4.826 225 HG21 VAL 34 3HG2 VAL 34 4.031 7.658 -6.985 226 HG22 VAL 34 1HG2 VAL 34 3.140 8.426 -5.656 227 HG23 VAL 34 2HG2 VAL 34 4.000 6.905 -5.376 228 H TYR 35 H TYR 35 4.752 4.613 -8.098 229 HA TYR 35 HA TYR 35 5.351 2.875 -5.744 230 HB3 TYR 35 2HB TYR 35 5.916 2.534 -8.687 231 HD1 TYR 35 1HD TYR 35 7.021 1.027 -5.384 232 HD2 TYR 35 2HD TYR 35 8.095 2.148 -9.411 233 HE1 TYR 35 1HE TYR 35 9.317 0.239 -4.985 234 HE2 TYR 35 2HE TYR 35 10.391 1.430 -9.008 235 HH TYR 35 HH TYR 35 11.892 0.450 -7.485 236 H GLU 36 H GLU 36 6.665 4.168 -4.506 237 HA GLU 36 HA GLU 36 8.411 6.198 -5.639 238 HB3 GLU 36 2HB GLU 36 9.352 5.654 -3.091 239 HG3 GLU 36 2HG GLU 36 8.845 7.862 -3.898 240 H SER 37 H SER 37 9.809 5.394 -7.091 241 HA SER 37 HA SER 37 11.264 2.940 -6.752 242 HB3 SER 37 2HB SER 37 11.556 5.304 -8.615 243 HG SER 37 HG SER 37 13.479 4.188 -8.682 244 H SER 38 H SER 38 11.855 6.121 -5.453 245 HA SER 38 HA SER 38 14.628 5.262 -4.705 246 HB3 SER 38 2HB SER 38 15.177 7.649 -4.607 247 HG SER 38 HG SER 38 15.450 7.902 -6.654 248 H LEU 39 H LEU 39 11.643 5.291 -3.292 249 HA LEU 39 HA LEU 39 12.746 5.786 -0.679 250 HB3 LEU 39 2HB LEU 39 10.761 7.132 0.024 251 HG LEU 39 HG LEU 39 12.404 8.496 -2.132 252 HD11 LEU 39 1HD1 LEU 39 10.216 9.611 -1.672 253 HD12 LEU 39 2HD1 LEU 39 11.619 10.591 -1.254 254 HD13 LEU 39 3HD1 LEU 39 10.701 9.773 0.032 255 HD21 LEU 39 3HD2 LEU 39 13.749 9.378 -0.315 256 HD22 LEU 39 1HD2 LEU 39 13.694 7.640 -0.110 257 HD23 LEU 39 2HD2 LEU 39 12.670 8.657 0.909 258 H GLU 40 H GLU 40 10.391 5.289 0.764 259 HA GLU 40 HA GLU 40 9.563 2.676 -0.288 260 HB3 GLU 40 2HB GLU 40 10.106 1.627 1.708 261 HG3 GLU 40 2HG GLU 40 12.266 2.482 0.390 262 H SER 41 H SER 41 7.690 3.814 -0.971 263 HA SER 41 HA SER 41 5.710 4.445 1.153 264 HB3 SER 41 2HB SER 41 5.807 6.167 -1.310 265 HG SER 41 HG SER 41 5.476 6.723 1.460 266 H LEU 42 H LEU 42 3.478 4.269 0.368 267 HA LEU 42 HA LEU 42 3.082 3.007 -2.258 268 HB3 LEU 42 2HB LEU 42 2.198 1.536 0.258 269 HG LEU 42 HG LEU 42 2.095 -0.411 -1.248 270 HD11 LEU 42 1HD1 LEU 42 0.310 1.635 -2.579 271 HD12 LEU 42 2HD1 LEU 42 -0.007 1.027 -0.954 272 HD13 LEU 42 3HD1 LEU 42 0.058 -0.088 -2.320 273 HD21 LEU 42 3HD2 LEU 42 3.759 0.695 -2.910 274 HD22 LEU 42 1HD2 LEU 42 2.341 1.397 -3.633 275 HD23 LEU 42 2HD2 LEU 42 2.485 -0.376 -3.526 276 H VAL 43 H VAL 43 1.396 4.252 -3.038 277 HA VAL 43 HA VAL 43 -1.032 4.359 -1.317 278 HB VAL 43 HB VAL 43 -0.030 6.657 -3.032 279 HG11 VAL 43 1HG1 VAL 43 -2.425 6.750 -2.973 280 HG12 VAL 43 2HG1 VAL 43 -2.445 6.410 -1.220 281 HG13 VAL 43 3HG1 VAL 43 -1.819 7.941 -1.854 282 HG21 VAL 43 3HG2 VAL 43 1.410 6.608 -1.132 283 HG22 VAL 43 1HG2 VAL 43 0.213 7.860 -0.827 284 HG23 VAL 43 2HG2 VAL 43 0.087 6.290 -0.033 285 H GLY 44 H GLY 44 -2.982 4.524 -2.524 286 HA2 GLY 44 1HA GLY 44 -3.435 4.514 -5.229 287 HA3 GLY 44 2HA GLY 44 -2.991 2.844 -4.880 288 H GLY 45 H GLY 45 -4.795 4.173 -2.059 289 HA2 GLY 45 1HA GLY 45 -6.507 3.182 -1.187 290 HA3 GLY 45 2HA GLY 45 -7.364 3.529 -2.698 291 H VAL 46 H VAL 46 -8.525 1.521 -1.893 292 HA VAL 46 HA VAL 46 -7.675 -0.768 -3.404 293 HB VAL 46 HB VAL 46 -6.306 -1.201 -1.523 294 HG11 VAL 46 1HG1 VAL 46 -8.586 -0.974 0.426 295 HG12 VAL 46 2HG1 VAL 46 -6.854 -1.245 0.721 296 HG13 VAL 46 3HG1 VAL 46 -7.399 0.321 0.143 297 HG21 VAL 46 3HG2 VAL 46 -7.020 -3.271 -0.620 298 HG22 VAL 46 1HG2 VAL 46 -8.671 -3.016 -1.228 299 HG23 VAL 46 2HG2 VAL 46 -7.280 -3.189 -2.362 300 H ILE 47 H ILE 47 -9.443 -1.910 -4.089 301 HA ILE 47 HA ILE 47 -12.128 -0.812 -3.377 302 HB ILE 47 HB ILE 47 -11.022 -2.204 -5.861 303 HG13 ILE 47 2HG1 ILE 47 -11.487 0.693 -5.208 304 HG21 ILE 47 1HG2 ILE 47 -13.087 -1.975 -6.984 305 HG22 ILE 47 2HG2 ILE 47 -13.485 -2.724 -5.437 306 HG23 ILE 47 3HG2 ILE 47 -13.781 -0.992 -5.690 307 HD11 ILE 47 3HD1 ILE 47 -9.662 -0.837 -7.063 308 HD12 ILE 47 1HD1 ILE 47 -10.001 0.870 -7.333 309 HD13 ILE 47 2HD1 ILE 47 -9.289 0.378 -5.786 310 H PHE 48 H PHE 48 -13.714 -2.337 -2.734 311 HA PHE 48 HA PHE 48 -12.707 -5.095 -2.102 312 HB3 PHE 48 2HB PHE 48 -15.080 -4.580 -0.655 313 HD1 PHE 48 2HD PHE 48 -11.357 -3.921 -0.401 314 HD2 PHE 48 1HD PHE 48 -14.883 -5.652 1.404 315 HE1 PHE 48 2HE PHE 48 -10.000 -4.759 1.475 316 HE2 PHE 48 1HE PHE 48 -13.510 -6.455 3.285 317 HZ PHE 48 HZ PHE 48 -11.056 -6.012 3.328 318 H GLU 49 H GLU 49 -14.273 -6.848 -2.293 319 HA GLU 49 HA GLU 49 -15.940 -6.705 -4.648 320 HB3 GLU 49 2HB GLU 49 -16.643 -9.016 -3.216 321 HG3 GLU 49 2HG GLU 49 -14.592 -8.365 -5.350 322 H ASP 50 H ASP 50 -16.612 -6.562 -1.159 323 HA ASP 50 HA ASP 50 -19.490 -6.480 -1.566 324 HB3 ASP 50 2HB ASP 50 -18.204 -5.462 0.942 325 H GLY 51 H GLY 51 -17.248 -4.280 -2.454 326 HA2 GLY 51 1HA GLY 51 -17.534 -2.267 -3.433 327 HA3 GLY 51 2HA GLY 51 -19.196 -2.189 -2.824 328 H ARG 52 H ARG 52 -15.813 -2.017 -1.569 329 HA ARG 52 HA ARG 52 -16.670 0.077 0.351 330 HB3 ARG 52 2HB ARG 52 -15.844 -0.993 2.230 331 HG3 ARG 52 2HG ARG 52 -17.221 -3.160 0.605 332 HD3 ARG 52 2HD ARG 52 -16.023 -4.130 2.518 333 HE ARG 52 HE ARG 52 -15.925 -2.810 4.334 334 HH11 ARG 52 1HH1 ARG 52 -19.311 -2.986 3.245 335 HH12 ARG 52 2HH1 ARG 52 -19.925 -1.920 4.462 336 HH21 ARG 52 1HH2 ARG 52 -16.814 -1.629 6.160 337 HH22 ARG 52 2HH2 ARG 52 -18.532 -1.461 6.314 338 H HIS 53 H HIS 53 -15.501 1.548 -1.044 339 HA HIS 53 HA HIS 53 -12.719 0.971 -1.763 340 HB3 HIS 53 2HB HIS 53 -14.258 3.585 -2.085 341 HD1 HIS 53 1HD HIS 53 -13.506 4.820 -4.526 342 HD2 HIS 53 2HD HIS 53 -10.909 1.877 -2.953 343 HE1 HIS 53 1HE HIS 53 -11.416 4.935 -5.848 344 H TYR 54 H TYR 54 -10.918 1.660 -0.559 345 HA TYR 54 HA TYR 54 -11.281 3.940 1.280 346 HB3 TYR 54 2HB TYR 54 -9.803 2.800 2.944 347 HD1 TYR 54 2HD TYR 54 -11.847 3.776 4.053 348 HD2 TYR 54 1HD TYR 54 -11.877 -0.124 2.214 349 HE1 TYR 54 2HE TYR 54 -14.001 3.288 5.137 350 HE2 TYR 54 1HE TYR 54 -13.983 -0.657 3.368 351 HH TYR 54 HH TYR 54 -15.945 1.876 4.653 352 H THR 55 H THR 55 -9.529 5.343 1.327 353 HA THR 55 HA THR 55 -7.333 5.021 -0.656 354 HB THR 55 HB THR 55 -7.158 7.498 -0.073 355 HG1 THR 55 1HG THR 55 -8.774 8.425 1.038 356 HG21 THR 55 3HG2 THR 55 -8.214 6.765 -2.150 357 HG22 THR 55 1HG2 THR 55 -9.146 8.108 -1.470 358 HG23 THR 55 2HG2 THR 55 -9.755 6.449 -1.310 359 H PHE 56 H PHE 56 -6.482 3.332 0.739 360 HA PHE 56 HA PHE 56 -4.947 3.921 3.128 361 HB3 PHE 56 2HB PHE 56 -3.554 2.054 1.672 362 HD1 PHE 56 1HD PHE 56 -6.813 2.254 3.598 363 HD2 PHE 56 2HD PHE 56 -3.082 0.218 2.962 364 HE1 PHE 56 1HE PHE 56 -7.247 0.816 5.577 365 HE2 PHE 56 2HE PHE 56 -3.538 -1.260 4.901 366 HZ PHE 56 HZ PHE 56 -5.620 -0.940 6.237 367 H VAL 57 H VAL 57 -3.212 4.996 3.396 368 HA VAL 57 HA VAL 57 -1.418 5.763 1.207 369 HB VAL 57 HB VAL 57 -2.571 7.497 3.436 370 HG11 VAL 57 1HG1 VAL 57 -0.306 8.194 1.518 371 HG12 VAL 57 2HG1 VAL 57 -1.123 9.332 2.604 372 HG13 VAL 57 3HG1 VAL 57 -0.178 8.010 3.282 373 HG21 VAL 57 3HG2 VAL 57 -2.620 7.969 0.440 374 HG22 VAL 57 1HG2 VAL 57 -3.993 7.371 1.400 375 HG23 VAL 57 2HG2 VAL 57 -3.343 8.989 1.689 376 H TYR 58 H TYR 58 0.417 4.633 1.753 377 HA TYR 58 HA TYR 58 1.085 4.251 4.631 378 HB3 TYR 58 2HB TYR 58 2.194 2.823 2.196 379 HD1 TYR 58 2HD TYR 58 1.901 2.763 5.984 380 HD2 TYR 58 1HD TYR 58 4.109 1.417 2.496 381 HE1 TYR 58 2HE TYR 58 3.396 1.497 7.426 382 HE2 TYR 58 1HE TYR 58 5.620 0.198 3.945 383 HH TYR 58 HH TYR 58 5.108 -0.053 7.512 384 H GLU 59 H GLU 59 2.420 5.755 5.421 385 HA GLU 59 HA GLU 59 4.619 6.772 3.696 386 HB3 GLU 59 2HB GLU 59 3.261 8.630 3.930 387 HG3 GLU 59 2HG GLU 59 2.946 7.899 6.838 388 H ASN 60 H ASN 60 6.101 5.456 4.214 389 HA ASN 60 HA ASN 60 7.574 4.129 5.085 390 HB3 ASN 60 2HB ASN 60 7.885 6.000 7.427 391 HD21 ASN 60 1HD2 ASN 60 9.477 4.764 8.584 392 HD22 ASN 60 2HD2 ASN 60 10.863 4.022 7.824 393 H GLU 61 H GLU 61 5.496 5.044 7.796 394 HA GLU 61 HA GLU 61 5.288 2.244 8.690 395 HB3 GLU 61 2HB GLU 61 5.869 2.673 10.981 396 HG3 GLU 61 2HG GLU 61 8.020 3.917 9.256 397 H ASP 62 H ASP 62 3.991 5.513 8.402 398 HA ASP 62 HA ASP 62 1.740 5.072 10.230 399 HB3 ASP 62 2HB ASP 62 1.558 7.299 8.325 400 H LEU 63 H LEU 63 -0.077 3.936 9.481 401 HA LEU 63 HA LEU 63 -0.499 3.825 6.537 402 HB3 LEU 63 2HB LEU 63 -2.150 1.919 7.944 403 HG LEU 63 HG LEU 63 0.314 1.303 6.286 404 HD11 LEU 63 1HD1 LEU 63 -0.590 -0.533 7.564 405 HD12 LEU 63 2HD1 LEU 63 -0.882 -0.804 5.841 406 HD13 LEU 63 3HD1 LEU 63 -2.218 -0.258 6.899 407 HD21 LEU 63 3HD2 LEU 63 -2.508 1.656 5.208 408 HD22 LEU 63 1HD2 LEU 63 -1.115 1.058 4.308 409 HD23 LEU 63 2HD2 LEU 63 -1.156 2.733 4.860 410 H VAL 64 H VAL 64 -1.601 5.688 6.184 411 HA VAL 64 HA VAL 64 -3.814 6.432 7.976 412 HB VAL 64 HB VAL 64 -2.771 7.975 5.575 413 HG11 VAL 64 1HG1 VAL 64 -4.873 8.781 6.368 414 HG12 VAL 64 2HG1 VAL 64 -4.383 8.671 8.064 415 HG13 VAL 64 3HG1 VAL 64 -3.649 9.885 7.001 416 HG21 VAL 64 3HG2 VAL 64 -0.795 7.680 6.914 417 HG22 VAL 64 1HG2 VAL 64 -1.405 9.294 7.229 418 HG23 VAL 64 2HG2 VAL 64 -1.680 7.986 8.412 419 H TYR 65 H TYR 65 -5.975 6.277 7.355 420 HA TYR 65 HA TYR 65 -6.596 5.299 4.619 421 HB3 TYR 65 2HB TYR 65 -6.926 3.352 5.709 422 HD1 TYR 65 2HD TYR 65 -8.382 5.723 8.352 423 HD2 TYR 65 1HD TYR 65 -6.406 1.992 7.462 424 HE1 TYR 65 2HE TYR 65 -7.994 5.330 10.761 425 HE2 TYR 65 1HE TYR 65 -5.961 1.636 9.811 426 HH TYR 65 HH TYR 65 -6.137 2.467 11.924 427 H GLU 66 H GLU 66 -8.616 5.988 3.755 428 HA GLU 66 HA GLU 66 -10.530 6.872 5.559 429 HB3 GLU 66 2HB GLU 66 -10.185 8.991 3.449 430 HG3 GLU 66 2HG GLU 66 -10.873 9.163 6.420 431 H GLU 67 H GLU 67 -12.432 7.803 3.637 432 HA GLU 67 HA GLU 67 -12.864 5.272 2.119 433 HB3 GLU 67 2HB GLU 67 -14.748 7.004 3.817 434 HG3 GLU 67 2HG GLU 67 -15.114 4.453 2.269 435 H GLU 68 H GLU 68 -13.337 5.728 -0.102 436 HA GLU 68 HA GLU 68 -12.844 8.417 -0.889 437 HB3 GLU 68 2HB GLU 68 -14.096 6.442 -2.798 438 HG3 GLU 68 2HG GLU 68 -11.983 8.613 -3.099 439 H VAL 69 H VAL 69 -14.227 10.058 -0.594 440 HA VAL 69 HA VAL 69 -16.849 9.875 -1.909 441 HB VAL 69 HB VAL 69 -16.453 11.063 0.885 442 HG11 VAL 69 1HG1 VAL 69 -18.853 11.381 0.835 443 HG12 VAL 69 2HG1 VAL 69 -18.169 12.096 -0.633 444 HG13 VAL 69 3HG1 VAL 69 -18.991 10.523 -0.722 445 HG21 VAL 69 3HG2 VAL 69 -17.820 8.445 0.087 446 HG22 VAL 69 1HG2 VAL 69 -16.444 8.640 1.204 447 HG23 VAL 69 2HG2 VAL 69 -18.044 9.246 1.644 448 H LEU 70 H LEU 70 -16.652 11.356 -3.468 449 HA LEU 70 HA LEU 70 -15.825 14.128 -2.687 450 HB3 LEU 70 2HB LEU 70 -15.407 14.533 -5.112 451 HG LEU 70 HG LEU 70 -13.557 13.897 -3.319 452 HD11 LEU 70 1HD1 LEU 70 -12.135 12.043 -4.039 453 HD12 LEU 70 2HD1 LEU 70 -13.263 11.631 -5.356 454 HD13 LEU 70 3HD1 LEU 70 -13.742 11.414 -3.669 455 HD21 LEU 70 3HD2 LEU 70 -12.979 13.913 -6.308 456 HD22 LEU 70 1HD2 LEU 70 -11.831 14.278 -5.013 457 HD23 LEU 70 2HD2 LEU 70 -13.204 15.354 -5.276 Start of MODEL 6 1 H1 GLY 1 H GLY 1 30.477 -7.635 -2.682 2 HA2 GLY 1 1HA GLY 1 31.821 -5.752 -0.812 3 HA3 GLY 1 2HA GLY 1 32.116 -5.841 -2.569 4 H ASP 2 H ASP 2 29.984 -4.738 -0.026 5 HA ASP 2 HA ASP 2 28.071 -3.331 -1.598 6 HB3 ASP 2 2HB ASP 2 27.074 -5.374 -2.215 7 H ASP 3 H ASP 3 26.239 -2.728 0.018 8 HA ASP 3 HA ASP 3 27.006 -2.904 2.844 9 HB3 ASP 3 2HB ASP 3 26.915 -0.212 1.468 10 H ARG 4 H ARG 4 24.783 -0.499 1.251 11 HA ARG 4 HA ARG 4 22.501 -2.140 2.241 12 HB3 ARG 4 2HB ARG 4 22.709 0.756 3.093 13 HG3 ARG 4 2HG ARG 4 21.633 -1.648 4.643 14 HD3 ARG 4 2HD ARG 4 20.053 0.053 5.479 15 HE ARG 4 HE ARG 4 22.944 0.467 6.040 16 HH11 ARG 4 1HH1 ARG 4 19.578 0.934 7.092 17 HH12 ARG 4 2HH1 ARG 4 20.038 1.209 8.767 18 HH21 ARG 4 1HH2 ARG 4 23.462 0.662 8.301 19 HH22 ARG 4 2HH2 ARG 4 22.181 1.031 9.425 20 H LYS 5 H LYS 5 23.560 -0.714 -0.401 21 HA LYS 5 HA LYS 5 21.729 1.402 -0.852 22 HB3 LYS 5 2HB LYS 5 24.054 1.304 -1.643 23 HG3 LYS 5 2HG LYS 5 23.210 -1.243 -2.802 24 HD3 LYS 5 2HD LYS 5 24.655 0.639 -4.695 25 HE3 LYS 5 2HE LYS 5 23.606 -2.160 -5.230 26 HZ1 LYS 5 3HZ LYS 5 24.459 -0.947 -7.109 27 HZ2 LYS 5 1HZ LYS 5 25.567 -2.106 -6.690 28 HZ3 LYS 5 2HZ LYS 5 25.854 -0.559 -6.297 29 H LEU 6 H LEU 6 19.882 -0.498 -0.391 30 HA LEU 6 HA LEU 6 18.782 -1.301 -3.038 31 HB3 LEU 6 2HB LEU 6 18.398 -3.546 -2.157 32 HG LEU 6 HG LEU 6 21.308 -2.671 -1.758 33 HD11 LEU 6 1HD1 LEU 6 20.879 -4.683 -0.424 34 HD12 LEU 6 2HD1 LEU 6 21.896 -5.060 -1.814 35 HD13 LEU 6 3HD1 LEU 6 20.176 -5.503 -1.845 36 HD21 LEU 6 3HD2 LEU 6 19.941 -4.214 -4.021 37 HD22 LEU 6 1HD2 LEU 6 21.673 -3.807 -3.922 38 HD23 LEU 6 2HD2 LEU 6 20.469 -2.529 -4.105 39 H MET 7 H MET 7 16.723 -0.263 -3.018 40 HA MET 7 HA MET 7 15.562 0.374 -0.421 41 HB3 MET 7 2HB MET 7 13.989 1.723 -1.681 42 HG3 MET 7 2HG MET 7 15.380 3.318 -2.740 43 HE1 MET 7 3HE MET 7 14.790 3.854 -0.090 44 HE2 MET 7 1HE MET 7 14.940 2.165 0.437 45 HE3 MET 7 2HE MET 7 15.878 3.427 1.251 46 H LYS 8 H LYS 8 13.263 -0.037 -0.147 47 HA LYS 8 HA LYS 8 12.521 -2.713 -0.397 48 HB3 LYS 8 2HB LYS 8 10.085 -1.804 -0.185 49 HG3 LYS 8 2HG LYS 8 12.101 -1.227 2.004 50 HD3 LYS 8 2HD LYS 8 9.197 -2.205 2.158 51 HE3 LYS 8 2HE LYS 8 9.725 -1.639 4.651 52 HZ1 LYS 8 3HZ LYS 8 10.955 -4.047 3.395 53 HZ2 LYS 8 1HZ LYS 8 9.491 -3.959 4.155 54 HZ3 LYS 8 2HZ LYS 8 10.879 -3.802 4.992 55 H THR 9 H THR 9 11.709 -3.974 -2.047 56 HA THR 9 HA THR 9 11.556 -2.844 -4.678 57 HB THR 9 HB THR 9 10.864 -5.278 -5.157 58 HG1 THR 9 1HG THR 9 11.462 -6.650 -3.353 59 HG21 THR 9 3HG2 THR 9 13.487 -4.767 -3.659 60 HG22 THR 9 1HG2 THR 9 13.180 -4.408 -5.374 61 HG23 THR 9 2HG2 THR 9 13.171 -6.070 -4.815 62 H GLN 10 H GLN 10 9.577 -3.451 -6.055 63 HA GLN 10 HA GLN 10 7.208 -2.207 -5.032 64 HB3 GLN 10 2HB GLN 10 7.419 -4.182 -7.320 65 HG3 GLN 10 2HG GLN 10 6.000 -2.548 -8.532 66 HE21 GLN 10 1HE2 GLN 10 3.712 -1.698 -6.636 67 HE22 GLN 10 2HE2 GLN 10 2.991 -3.216 -6.101 68 H GLU 11 H GLU 11 8.481 -5.499 -5.173 69 HA GLU 11 HA GLU 11 6.269 -6.948 -4.153 70 HB3 GLU 11 2HB GLU 11 8.312 -8.297 -3.067 71 HG3 GLU 11 2HG GLU 11 8.319 -8.412 -6.074 72 H GLU 12 H GLU 12 9.120 -5.682 -2.228 73 HA GLU 12 HA GLU 12 8.126 -6.406 0.245 74 HB3 GLU 12 2HB GLU 12 9.367 -4.211 1.023 75 HG3 GLU 12 2HG GLU 12 11.577 -5.418 -0.163 76 H LEU 13 H LEU 13 7.501 -3.285 -1.383 77 HA LEU 13 HA LEU 13 5.848 -2.236 0.730 78 HB3 LEU 13 2HB LEU 13 5.143 -0.548 -1.120 79 HG LEU 13 HG LEU 13 8.144 -1.109 -1.039 80 HD11 LEU 13 1HD1 LEU 13 6.647 1.484 -1.480 81 HD12 LEU 13 2HD1 LEU 13 7.320 0.480 -2.757 82 HD13 LEU 13 3HD1 LEU 13 8.405 1.230 -1.594 83 HD21 LEU 13 3HD2 LEU 13 7.404 -0.846 1.300 84 HD22 LEU 13 1HD2 LEU 13 6.506 0.626 0.882 85 HD23 LEU 13 2HD2 LEU 13 8.278 0.583 0.784 86 H THR 14 H THR 14 5.016 -4.040 -2.239 87 HA THR 14 HA THR 14 2.175 -3.941 -1.758 88 HB THR 14 HB THR 14 3.926 -5.812 -3.415 89 HG1 THR 14 1HG THR 14 3.992 -3.969 -4.309 90 HG21 THR 14 3HG2 THR 14 1.915 -7.056 -3.060 91 HG22 THR 14 1HG2 THR 14 1.813 -6.340 -4.676 92 HG23 THR 14 2HG2 THR 14 0.891 -5.643 -3.322 93 H GLU 15 H GLU 15 4.697 -6.352 -0.816 94 HA GLU 15 HA GLU 15 2.940 -8.333 0.202 95 HB3 GLU 15 2HB GLU 15 5.054 -8.855 1.663 96 HG3 GLU 15 2HG GLU 15 6.463 -9.461 -0.451 97 H ILE 16 H ILE 16 4.535 -5.520 1.799 98 HA ILE 16 HA ILE 16 3.513 -5.834 4.402 99 HB ILE 16 HB ILE 16 4.178 -3.381 2.716 100 HG13 ILE 16 2HG1 ILE 16 5.993 -5.056 3.516 101 HG21 ILE 16 1HG2 ILE 16 2.683 -2.449 4.254 102 HG22 ILE 16 2HG2 ILE 16 3.246 -3.495 5.584 103 HG23 ILE 16 3HG2 ILE 16 4.247 -2.163 4.998 104 HD11 ILE 16 3HD1 ILE 16 6.333 -2.136 4.306 105 HD12 ILE 16 1HD1 ILE 16 7.611 -3.309 3.993 106 HD13 ILE 16 2HD1 ILE 16 6.564 -2.795 2.673 107 H VAL 17 H VAL 17 2.061 -3.881 1.742 108 HA VAL 17 HA VAL 17 -0.253 -3.285 3.291 109 HB VAL 17 HB VAL 17 0.422 -3.014 0.336 110 HG11 VAL 17 1HG1 VAL 17 -2.026 -2.023 1.814 111 HG12 VAL 17 2HG1 VAL 17 -1.462 -1.316 0.283 112 HG13 VAL 17 3HG1 VAL 17 -1.980 -3.012 0.346 113 HG21 VAL 17 3HG2 VAL 17 0.634 -0.599 1.038 114 HG22 VAL 17 1HG2 VAL 17 0.338 -1.085 2.713 115 HG23 VAL 17 2HG2 VAL 17 1.787 -1.648 1.853 116 H ARG 18 H ARG 18 0.401 -5.954 1.032 117 HA ARG 18 HA ARG 18 -2.343 -6.823 0.859 118 HB3 ARG 18 2HB ARG 18 0.111 -8.603 0.549 119 HG3 ARG 18 2HG ARG 18 -2.449 -8.478 -1.106 120 HD3 ARG 18 2HD ARG 18 -1.922 -10.781 -1.711 121 HE ARG 18 HE ARG 18 0.779 -9.805 -2.068 122 HH11 ARG 18 1HH1 ARG 18 -2.573 -9.314 -3.434 123 HH12 ARG 18 2HH1 ARG 18 -1.910 -9.113 -5.004 124 HH21 ARG 18 1HH2 ARG 18 1.461 -9.330 -4.099 125 HH22 ARG 18 2HH2 ARG 18 0.320 -8.969 -5.386 126 H ASP 19 H ASP 19 0.490 -7.850 2.850 127 HA ASP 19 HA ASP 19 -0.679 -9.905 4.343 128 HB3 ASP 19 2HB ASP 19 1.405 -7.810 5.065 129 H HIS 20 H HIS 20 -0.866 -6.401 4.672 130 HA HIS 20 HA HIS 20 -2.332 -6.523 7.217 131 HB3 HIS 20 2HB HIS 20 -2.879 -4.059 6.558 132 HD1 HIS 20 1HD HIS 20 -1.664 -2.638 8.416 133 HD2 HIS 20 2HD HIS 20 0.572 -5.926 6.945 134 HE1 HIS 20 1HE HIS 20 0.394 -2.794 9.842 135 H PHE 21 H PHE 21 -3.416 -5.703 3.820 136 HA PHE 21 HA PHE 21 -6.111 -5.537 4.844 137 HB3 PHE 21 2HB PHE 21 -5.974 -5.666 1.922 138 HD1 PHE 21 2HD PHE 21 -8.384 -5.465 3.478 139 HD2 PHE 21 1HD PHE 21 -5.561 -2.332 2.555 140 HE1 PHE 21 2HE PHE 21 -10.121 -3.766 3.914 141 HE2 PHE 21 1HE PHE 21 -7.336 -0.648 2.975 142 HZ PHE 21 HZ PHE 21 -9.605 -1.358 3.626 143 H SER 22 H SER 22 -4.326 -8.273 3.589 144 HA SER 22 HA SER 22 -6.465 -9.767 2.500 145 HB3 SER 22 2HB SER 22 -4.141 -10.958 4.046 146 HG SER 22 HG SER 22 -5.396 -12.511 3.020 147 H ASP 23 H ASP 23 -5.848 -8.871 5.807 148 HA ASP 23 HA ASP 23 -7.612 -11.019 6.874 149 HB3 ASP 23 2HB ASP 23 -6.677 -9.833 9.071 150 H MET 24 H MET 24 -8.138 -8.186 5.479 151 HA MET 24 HA MET 24 -10.369 -7.506 7.321 152 HB3 MET 24 2HB MET 24 -10.104 -5.155 6.743 153 HG3 MET 24 2HG MET 24 -7.393 -6.154 7.646 154 HE1 MET 24 3HE MET 24 -8.186 -3.214 6.148 155 HE2 MET 24 1HE MET 24 -7.149 -2.169 7.128 156 HE3 MET 24 2HE MET 24 -6.537 -3.740 6.561 157 H GLY 25 H GLY 25 -9.866 -9.076 4.563 158 HA2 GLY 25 1HA GLY 25 -12.265 -9.560 3.904 159 HA3 GLY 25 2HA GLY 25 -12.313 -7.921 3.265 160 H GLU 26 H GLU 26 -12.634 -8.301 1.145 161 HA GLU 26 HA GLU 26 -10.849 -10.133 -0.342 162 HB3 GLU 26 2HB GLU 26 -12.985 -10.610 -1.693 163 HG3 GLU 26 2HG GLU 26 -12.475 -11.640 1.119 164 H ILE 27 H ILE 27 -9.614 -8.657 -1.137 165 HA ILE 27 HA ILE 27 -10.334 -6.066 -2.057 166 HB ILE 27 HB ILE 27 -7.889 -7.804 -2.698 167 HG13 ILE 27 2HG1 ILE 27 -8.597 -6.952 -0.107 168 HG21 ILE 27 1HG2 ILE 27 -6.814 -5.482 -2.828 169 HG22 ILE 27 2HG2 ILE 27 -7.952 -5.871 -4.131 170 HG23 ILE 27 3HG2 ILE 27 -8.450 -4.837 -2.754 171 HD11 ILE 27 3HD1 ILE 27 -6.910 -8.684 -0.624 172 HD12 ILE 27 1HD1 ILE 27 -5.777 -7.401 -1.115 173 HD13 ILE 27 2HD1 ILE 27 -6.335 -7.516 0.568 174 H ALA 28 H ALA 28 -10.674 -5.343 -4.244 175 HA ALA 28 HA ALA 28 -11.465 -7.558 -6.122 176 HB1 ALA 28 1HB ALA 28 -12.366 -4.659 -6.007 177 HB2 ALA 28 2HB ALA 28 -12.790 -5.812 -7.289 178 HB3 ALA 28 3HB ALA 28 -13.308 -6.135 -5.644 179 H THR 29 H THR 29 -9.326 -4.769 -5.831 180 HA THR 29 HA THR 29 -7.718 -5.660 -8.071 181 HB THR 29 HB THR 29 -9.187 -2.970 -8.225 182 HG1 THR 29 1HG THR 29 -9.926 -5.253 -9.117 183 HG21 THR 29 3HG2 THR 29 -7.983 -2.571 -10.292 184 HG22 THR 29 1HG2 THR 29 -7.116 -4.099 -10.143 185 HG23 THR 29 2HG2 THR 29 -6.800 -2.762 -9.004 186 H LEU 30 H LEU 30 -6.097 -5.829 -6.518 187 HA LEU 30 HA LEU 30 -5.334 -3.442 -4.954 188 HB3 LEU 30 2HB LEU 30 -3.869 -6.063 -5.298 189 HG LEU 30 HG LEU 30 -3.148 -3.678 -4.019 190 HD11 LEU 30 1HD1 LEU 30 -4.196 -5.532 -1.848 191 HD12 LEU 30 2HD1 LEU 30 -4.962 -3.998 -2.337 192 HD13 LEU 30 3HD1 LEU 30 -3.342 -3.996 -1.616 193 HD21 LEU 30 3HD2 LEU 30 -1.457 -5.043 -2.793 194 HD22 LEU 30 1HD2 LEU 30 -1.558 -5.348 -4.550 195 HD23 LEU 30 2HD2 LEU 30 -2.274 -6.504 -3.395 196 H TYR 31 H TYR 31 -3.693 -2.058 -5.756 197 HA TYR 31 HA TYR 31 -1.768 -2.810 -7.716 198 HB3 TYR 31 2HB TYR 31 -3.835 -2.369 -9.192 199 HD1 TYR 31 1HD TYR 31 -4.853 -0.500 -6.832 200 HD2 TYR 31 2HD TYR 31 -3.067 0.457 -10.639 201 HE1 TYR 31 1HE TYR 31 -6.254 1.460 -6.940 202 HE2 TYR 31 2HE TYR 31 -4.327 2.580 -10.657 203 HH TYR 31 HH TYR 31 -5.697 4.046 -9.209 204 H VAL 32 H VAL 32 -0.458 -0.695 -8.257 205 HA VAL 32 HA VAL 32 -0.736 1.238 -6.026 206 HB VAL 32 HB VAL 32 1.902 0.227 -7.112 207 HG11 VAL 32 1HG1 VAL 32 2.901 1.286 -5.179 208 HG12 VAL 32 2HG1 VAL 32 1.905 2.448 -6.066 209 HG13 VAL 32 3HG1 VAL 32 1.284 1.742 -4.566 210 HG21 VAL 32 3HG2 VAL 32 2.187 -1.016 -4.911 211 HG22 VAL 32 1HG2 VAL 32 0.463 -0.730 -4.608 212 HG23 VAL 32 2HG2 VAL 32 0.964 -1.732 -5.978 213 H GLN 33 H GLN 33 -0.817 3.327 -6.880 214 HA GLN 33 HA GLN 33 -0.411 3.519 -9.768 215 HB3 GLN 33 2HB GLN 33 -1.220 5.799 -9.564 216 HG3 GLN 33 2HG GLN 33 -2.860 4.353 -7.478 217 HE21 GLN 33 1HE2 GLN 33 -3.038 6.965 -7.522 218 HE22 GLN 33 2HE2 GLN 33 -4.455 7.510 -8.382 219 H VAL 34 H VAL 34 1.592 3.794 -7.070 220 HA VAL 34 HA VAL 34 3.625 5.568 -8.255 221 HB VAL 34 HB VAL 34 3.353 7.065 -6.185 222 HG11 VAL 34 1HG1 VAL 34 1.857 8.577 -7.281 223 HG12 VAL 34 2HG1 VAL 34 2.770 7.737 -8.540 224 HG13 VAL 34 3HG1 VAL 34 1.089 7.281 -8.208 225 HG21 VAL 34 3HG2 VAL 34 1.701 5.698 -4.927 226 HG22 VAL 34 1HG2 VAL 34 1.089 7.317 -5.263 227 HG23 VAL 34 2HG2 VAL 34 0.497 5.952 -6.195 228 H TYR 35 H TYR 35 4.731 3.544 -8.079 229 HA TYR 35 HA TYR 35 5.359 2.461 -5.413 230 HB3 TYR 35 2HB TYR 35 6.174 1.905 -8.298 231 HD1 TYR 35 2HD TYR 35 6.780 0.596 -4.821 232 HD2 TYR 35 1HD TYR 35 8.295 1.044 -8.833 233 HE1 TYR 35 2HE TYR 35 9.001 -0.230 -4.079 234 HE2 TYR 35 1HE TYR 35 10.474 0.110 -8.124 235 HH TYR 35 HH TYR 35 11.197 -0.462 -4.644 236 H GLU 36 H GLU 36 6.670 3.749 -4.107 237 HA GLU 36 HA GLU 36 8.619 5.544 -5.391 238 HB3 GLU 36 2HB GLU 36 9.205 5.251 -2.627 239 HG3 GLU 36 2HG GLU 36 8.460 7.562 -2.454 240 H SER 37 H SER 37 10.730 4.976 -5.776 241 HA SER 37 HA SER 37 11.612 2.281 -4.940 242 HB3 SER 37 2HB SER 37 10.831 2.430 -7.276 243 HG SER 37 HG SER 37 11.191 4.403 -8.015 244 H SER 38 H SER 38 12.247 5.630 -4.763 245 HA SER 38 HA SER 38 15.092 5.107 -4.075 246 HB3 SER 38 2HB SER 38 13.947 7.879 -4.343 247 HG SER 38 HG SER 38 16.104 8.280 -4.857 248 H LEU 39 H LEU 39 11.924 5.464 -2.900 249 HA LEU 39 HA LEU 39 12.862 5.723 -0.132 250 HB3 LEU 39 2HB LEU 39 10.924 7.130 0.413 251 HG LEU 39 HG LEU 39 12.451 8.320 -1.948 252 HD11 LEU 39 1HD1 LEU 39 10.332 9.487 -1.618 253 HD12 LEU 39 2HD1 LEU 39 11.711 10.494 -1.191 254 HD13 LEU 39 3HD1 LEU 39 10.733 9.756 0.099 255 HD21 LEU 39 3HD2 LEU 39 12.826 8.876 1.019 256 HD22 LEU 39 1HD2 LEU 39 13.858 9.382 -0.357 257 HD23 LEU 39 2HD2 LEU 39 13.799 7.701 0.139 258 H GLU 40 H GLU 40 10.425 5.139 1.081 259 HA GLU 40 HA GLU 40 9.628 2.580 -0.134 260 HB3 GLU 40 2HB GLU 40 9.911 1.489 1.963 261 HG3 GLU 40 2HG GLU 40 12.086 1.968 0.468 262 H SER 41 H SER 41 7.750 3.824 -0.776 263 HA SER 41 HA SER 41 5.773 4.316 1.401 264 HB3 SER 41 2HB SER 41 5.937 6.141 -0.992 265 HG SER 41 HG SER 41 5.773 7.016 1.644 266 H LEU 42 H LEU 42 3.709 3.591 0.843 267 HA LEU 42 HA LEU 42 3.314 2.680 -1.971 268 HB3 LEU 42 2HB LEU 42 2.080 1.173 0.333 269 HG LEU 42 HG LEU 42 2.344 0.883 -2.689 270 HD11 LEU 42 1HD1 LEU 42 1.581 -1.474 -2.502 271 HD12 LEU 42 2HD1 LEU 42 1.945 -1.397 -0.775 272 HD13 LEU 42 3HD1 LEU 42 3.229 -1.164 -1.988 273 HD21 LEU 42 3HD2 LEU 42 0.140 1.762 -1.970 274 HD22 LEU 42 1HD2 LEU 42 -0.042 0.440 -0.823 275 HD23 LEU 42 2HD2 LEU 42 -0.049 0.141 -2.561 276 H VAL 43 H VAL 43 1.744 4.066 -2.840 277 HA VAL 43 HA VAL 43 -0.669 4.602 -1.194 278 HB VAL 43 HB VAL 43 0.625 6.522 -3.166 279 HG11 VAL 43 1HG1 VAL 43 -1.022 8.171 -2.275 280 HG12 VAL 43 2HG1 VAL 43 -1.763 6.848 -3.164 281 HG13 VAL 43 3HG1 VAL 43 -1.813 6.857 -1.377 282 HG21 VAL 43 3HG2 VAL 43 2.019 6.550 -1.219 283 HG22 VAL 43 1HG2 VAL 43 0.969 7.960 -1.078 284 HG23 VAL 43 2HG2 VAL 43 0.613 6.494 -0.147 285 H GLY 44 H GLY 44 -2.630 4.554 -2.446 286 HA2 GLY 44 1HA GLY 44 -2.666 4.639 -5.235 287 HA3 GLY 44 2HA GLY 44 -2.489 2.936 -4.810 288 H GLY 45 H GLY 45 -4.583 4.333 -2.402 289 HA2 GLY 45 1HA GLY 45 -6.629 3.692 -1.976 290 HA3 GLY 45 2HA GLY 45 -7.039 3.887 -3.686 291 H VAL 46 H VAL 46 -8.280 1.986 -2.217 292 HA VAL 46 HA VAL 46 -7.390 -0.470 -3.530 293 HB VAL 46 HB VAL 46 -8.125 -1.657 -1.288 294 HG11 VAL 46 1HG1 VAL 46 -5.945 -1.886 -2.392 295 HG12 VAL 46 2HG1 VAL 46 -5.349 -0.457 -1.503 296 HG13 VAL 46 3HG1 VAL 46 -5.848 -1.926 -0.632 297 HG21 VAL 46 3HG2 VAL 46 -8.656 0.446 -0.032 298 HG22 VAL 46 1HG2 VAL 46 -7.417 -0.539 0.734 299 HG23 VAL 46 2HG2 VAL 46 -6.951 0.922 -0.146 300 H ILE 47 H ILE 47 -8.962 -1.047 -4.732 301 HA ILE 47 HA ILE 47 -11.793 -0.413 -4.202 302 HB ILE 47 HB ILE 47 -10.447 -1.858 -6.551 303 HG13 ILE 47 2HG1 ILE 47 -10.799 1.081 -5.960 304 HG21 ILE 47 1HG2 ILE 47 -12.513 -1.364 -7.762 305 HG22 ILE 47 2HG2 ILE 47 -12.891 -2.302 -6.325 306 HG23 ILE 47 3HG2 ILE 47 -13.178 -0.550 -6.338 307 HD11 ILE 47 3HD1 ILE 47 -8.498 0.118 -6.306 308 HD12 ILE 47 1HD1 ILE 47 -8.995 -0.431 -7.922 309 HD13 ILE 47 2HD1 ILE 47 -8.917 1.299 -7.553 310 H PHE 48 H PHE 48 -13.297 -2.009 -3.723 311 HA PHE 48 HA PHE 48 -12.307 -4.722 -2.949 312 HB3 PHE 48 2HB PHE 48 -14.592 -3.780 -1.424 313 HD1 PHE 48 2HD PHE 48 -10.913 -3.401 -0.816 314 HD2 PHE 48 1HD PHE 48 -14.516 -5.585 0.119 315 HE1 PHE 48 2HE PHE 48 -9.851 -4.287 1.208 316 HE2 PHE 48 1HE PHE 48 -13.459 -6.496 2.115 317 HZ PHE 48 HZ PHE 48 -11.200 -5.694 2.789 318 H GLU 49 H GLU 49 -14.085 -6.328 -2.729 319 HA GLU 49 HA GLU 49 -15.693 -6.463 -5.049 320 HB3 GLU 49 2HB GLU 49 -16.686 -8.422 -3.485 321 HG3 GLU 49 2HG GLU 49 -14.588 -9.744 -4.103 322 H ASP 50 H ASP 50 -16.324 -4.808 -2.233 323 HA ASP 50 HA ASP 50 -19.302 -4.991 -2.525 324 HB3 ASP 50 2HB ASP 50 -17.963 -4.204 0.039 325 H GLY 51 H GLY 51 -17.079 -2.874 -3.455 326 HA2 GLY 51 1HA GLY 51 -17.474 -0.716 -4.216 327 HA3 GLY 51 2HA GLY 51 -18.904 -0.582 -3.196 328 H ARG 52 H ARG 52 -16.601 -1.682 -1.163 329 HA ARG 52 HA ARG 52 -16.179 0.854 0.189 330 HB3 ARG 52 2HB ARG 52 -14.599 -0.729 1.551 331 HG3 ARG 52 2HG ARG 52 -17.573 -1.350 1.425 332 HD3 ARG 52 2HD ARG 52 -16.933 -1.536 4.023 333 HE ARG 52 HE ARG 52 -15.995 -3.968 2.977 334 HH11 ARG 52 1HH1 ARG 52 -19.094 -2.096 2.931 335 HH12 ARG 52 2HH1 ARG 52 -19.917 -3.533 2.416 336 HH21 ARG 52 1HH2 ARG 52 -17.329 -5.743 2.543 337 HH22 ARG 52 2HH2 ARG 52 -19.068 -5.589 2.764 338 H HIS 53 H HIS 53 -15.157 2.066 -1.360 339 HA HIS 53 HA HIS 53 -12.358 1.394 -2.107 340 HB3 HIS 53 2HB HIS 53 -14.066 3.794 -2.846 341 HD1 HIS 53 1HD HIS 53 -13.001 5.326 -4.771 342 HD2 HIS 53 2HD HIS 53 -10.438 2.395 -3.155 343 HE1 HIS 53 1HE HIS 53 -10.644 5.967 -5.454 344 H TYR 54 H TYR 54 -10.711 2.131 -0.928 345 HA TYR 54 HA TYR 54 -11.045 4.432 0.882 346 HB3 TYR 54 2HB TYR 54 -9.675 3.215 2.590 347 HD1 TYR 54 2HD TYR 54 -11.931 4.316 3.342 348 HD2 TYR 54 1HD TYR 54 -11.571 0.238 2.062 349 HE1 TYR 54 2HE TYR 54 -14.035 3.792 4.513 350 HE2 TYR 54 1HE TYR 54 -13.588 -0.350 3.388 351 HH TYR 54 HH TYR 54 -15.786 2.134 4.406 352 H THR 55 H THR 55 -9.071 5.623 1.195 353 HA THR 55 HA THR 55 -7.030 5.327 -0.940 354 HB THR 55 HB THR 55 -6.663 7.737 -0.260 355 HG1 THR 55 1HG THR 55 -7.873 8.575 1.269 356 HG21 THR 55 3HG2 THR 55 -8.040 7.072 -2.247 357 HG22 THR 55 1HG2 THR 55 -8.642 8.558 -1.476 358 HG23 THR 55 2HG2 THR 55 -9.491 7.031 -1.229 359 H PHE 56 H PHE 56 -6.051 3.534 0.164 360 HA PHE 56 HA PHE 56 -4.651 3.858 2.673 361 HB3 PHE 56 2HB PHE 56 -3.332 2.010 0.920 362 HD1 PHE 56 1HD PHE 56 -6.211 2.244 3.396 363 HD2 PHE 56 2HD PHE 56 -2.773 0.052 2.002 364 HE1 PHE 56 1HE PHE 56 -6.427 0.709 5.305 365 HE2 PHE 56 2HE PHE 56 -3.025 -1.542 3.906 366 HZ PHE 56 HZ PHE 56 -4.844 -1.223 5.555 367 H VAL 57 H VAL 57 -2.821 4.684 3.188 368 HA VAL 57 HA VAL 57 -0.706 5.168 1.240 369 HB VAL 57 HB VAL 57 -1.703 7.262 1.127 370 HG11 VAL 57 1HG1 VAL 57 -2.375 8.635 3.098 371 HG12 VAL 57 2HG1 VAL 57 -3.355 7.178 2.896 372 HG13 VAL 57 3HG1 VAL 57 -2.062 7.198 4.114 373 HG21 VAL 57 3HG2 VAL 57 -0.120 8.801 2.097 374 HG22 VAL 57 1HG2 VAL 57 0.252 7.705 3.436 375 HG23 VAL 57 2HG2 VAL 57 0.802 7.319 1.810 376 H TYR 58 H TYR 58 0.879 4.107 2.029 377 HA TYR 58 HA TYR 58 1.311 3.789 4.975 378 HB3 TYR 58 2HB TYR 58 2.189 1.999 2.681 379 HD1 TYR 58 1HD TYR 58 1.636 1.846 6.398 380 HD2 TYR 58 2HD TYR 58 4.404 1.165 3.170 381 HE1 TYR 58 1HE TYR 58 3.142 0.750 7.974 382 HE2 TYR 58 2HE TYR 58 5.982 0.118 4.760 383 HH TYR 58 HH TYR 58 5.041 -0.559 8.166 384 H GLU 59 H GLU 59 3.122 4.654 5.798 385 HA GLU 59 HA GLU 59 5.427 5.331 4.081 386 HB3 GLU 59 2HB GLU 59 4.279 7.347 3.867 387 HG3 GLU 59 2HG GLU 59 3.562 7.185 6.825 388 H ASN 60 H ASN 60 6.650 3.856 5.074 389 HA ASN 60 HA ASN 60 8.215 3.035 6.394 390 HB3 ASN 60 2HB ASN 60 7.836 5.301 8.380 391 HD21 ASN 60 1HD2 ASN 60 8.892 4.121 10.146 392 HD22 ASN 60 2HD2 ASN 60 10.486 3.466 9.934 393 H GLU 61 H GLU 61 5.674 4.301 8.477 394 HA GLU 61 HA GLU 61 5.177 1.759 9.742 395 HB3 GLU 61 2HB GLU 61 7.141 2.299 10.976 396 HG3 GLU 61 2HG GLU 61 5.743 4.845 11.855 397 H ASP 62 H ASP 62 4.255 4.966 8.874 398 HA ASP 62 HA ASP 62 1.806 4.906 10.521 399 HB3 ASP 62 2HB ASP 62 1.898 6.861 8.323 400 H LEU 63 H LEU 63 -0.101 4.224 9.600 401 HA LEU 63 HA LEU 63 -0.235 3.819 6.674 402 HB3 LEU 63 2HB LEU 63 -1.470 1.825 8.589 403 HG LEU 63 HG LEU 63 -0.413 1.303 5.795 404 HD11 LEU 63 1HD1 LEU 63 -1.921 -0.607 5.892 405 HD12 LEU 63 2HD1 LEU 63 -2.564 -0.061 7.463 406 HD13 LEU 63 3HD1 LEU 63 -0.870 -0.588 7.299 407 HD21 LEU 63 3HD2 LEU 63 -3.258 2.203 6.356 408 HD22 LEU 63 1HD2 LEU 63 -2.646 1.494 4.844 409 HD23 LEU 63 2HD2 LEU 63 -2.037 3.038 5.356 410 H VAL 64 H VAL 64 -1.575 5.452 6.202 411 HA VAL 64 HA VAL 64 -3.818 6.067 8.062 412 HB VAL 64 HB VAL 64 -2.917 7.935 5.884 413 HG11 VAL 64 1HG1 VAL 64 -4.911 8.505 7.196 414 HG12 VAL 64 2HG1 VAL 64 -3.964 8.418 8.691 415 HG13 VAL 64 3HG1 VAL 64 -3.619 9.664 7.471 416 HG21 VAL 64 3HG2 VAL 64 -1.423 7.600 8.487 417 HG22 VAL 64 1HG2 VAL 64 -0.753 7.508 6.844 418 HG23 VAL 64 2HG2 VAL 64 -1.320 9.053 7.472 419 H TYR 65 H TYR 65 -5.874 6.622 7.011 420 HA TYR 65 HA TYR 65 -6.351 5.686 4.275 421 HB3 TYR 65 2HB TYR 65 -6.554 3.593 5.362 422 HD1 TYR 65 2HD TYR 65 -9.147 5.567 7.341 423 HD2 TYR 65 1HD TYR 65 -5.845 2.769 7.457 424 HE1 TYR 65 2HE TYR 65 -9.343 5.396 9.774 425 HE2 TYR 65 1HE TYR 65 -6.188 2.488 9.894 426 HH TYR 65 HH TYR 65 -7.387 3.140 11.754 427 H GLU 66 H GLU 66 -8.436 6.280 3.503 428 HA GLU 66 HA GLU 66 -10.385 7.392 5.189 429 HB3 GLU 66 2HB GLU 66 -9.665 9.266 2.952 430 HG3 GLU 66 2HG GLU 66 -10.436 9.930 5.804 431 H GLU 67 H GLU 67 -12.205 8.265 3.241 432 HA GLU 67 HA GLU 67 -12.384 5.917 1.498 433 HB3 GLU 67 2HB GLU 67 -13.493 6.056 3.853 434 HG3 GLU 67 2HG GLU 67 -15.666 7.465 2.307 435 H GLU 68 H GLU 68 -13.692 6.165 -0.317 436 HA GLU 68 HA GLU 68 -13.696 8.887 -1.448 437 HB3 GLU 68 2HB GLU 68 -14.655 6.520 -2.973 438 HG3 GLU 68 2HG GLU 68 -12.550 8.497 -3.812 439 H VAL 69 H VAL 69 -15.387 9.172 0.474 440 HA VAL 69 HA VAL 69 -18.048 9.186 -0.817 441 HB VAL 69 HB VAL 69 -17.685 8.421 2.100 442 HG11 VAL 69 1HG1 VAL 69 -20.152 8.536 0.326 443 HG12 VAL 69 2HG1 VAL 69 -20.105 8.017 2.017 444 HG13 VAL 69 3HG1 VAL 69 -19.751 9.699 1.601 445 HG21 VAL 69 3HG2 VAL 69 -18.607 6.212 1.462 446 HG22 VAL 69 1HG2 VAL 69 -18.527 6.673 -0.255 447 HG23 VAL 69 2HG2 VAL 69 -17.042 6.486 0.698 448 H LEU 70 H LEU 70 -17.251 11.208 -1.418 449 HA LEU 70 HA LEU 70 -16.694 13.286 0.593 450 HB3 LEU 70 2HB LEU 70 -17.092 14.762 -1.577 451 HG LEU 70 HG LEU 70 -14.875 14.287 -2.541 452 HD11 LEU 70 1HD1 LEU 70 -14.959 14.596 0.480 453 HD12 LEU 70 2HD1 LEU 70 -15.137 15.882 -0.718 454 HD13 LEU 70 3HD1 LEU 70 -13.594 15.032 -0.577 455 HD21 LEU 70 3HD2 LEU 70 -14.769 11.846 -2.110 456 HD22 LEU 70 1HD2 LEU 70 -14.586 12.168 -0.371 457 HD23 LEU 70 2HD2 LEU 70 -13.340 12.709 -1.514 Start of MODEL 7 1 H1 GLY 1 H GLY 1 20.412 8.324 1.482 2 HA2 GLY 1 1HA GLY 1 21.348 8.441 4.282 3 HA3 GLY 1 2HA GLY 1 19.769 7.795 3.823 4 H ASP 2 H ASP 2 20.310 6.133 1.648 5 HA ASP 2 HA ASP 2 21.652 3.867 2.639 6 HB3 ASP 2 2HB ASP 2 20.112 3.757 0.738 7 H ASP 3 H ASP 3 23.545 2.965 1.956 8 HA ASP 3 HA ASP 3 25.614 4.559 0.596 9 HB3 ASP 3 2HB ASP 3 26.016 4.618 3.140 10 H ARG 4 H ARG 4 24.738 1.305 1.949 11 HA ARG 4 HA ARG 4 25.271 0.022 -0.615 12 HB3 ARG 4 2HB ARG 4 27.060 -0.523 1.800 13 HG3 ARG 4 2HG ARG 4 27.103 -1.531 -1.090 14 HD3 ARG 4 2HD ARG 4 28.989 -1.980 1.255 15 HE ARG 4 HE ARG 4 28.604 -3.872 -0.414 16 HH11 ARG 4 1HH1 ARG 4 31.283 -1.638 -0.174 17 HH12 ARG 4 2HH1 ARG 4 32.312 -2.404 -1.344 18 HH21 ARG 4 1HH2 ARG 4 29.885 -4.954 -2.053 19 HH22 ARG 4 2HH2 ARG 4 31.498 -4.458 -2.373 20 H LYS 5 H LYS 5 23.068 -0.570 -0.333 21 HA LYS 5 HA LYS 5 22.682 -3.029 1.037 22 HB3 LYS 5 2HB LYS 5 20.448 -1.312 1.816 23 HG3 LYS 5 2HG LYS 5 22.379 -2.714 3.682 24 HD3 LYS 5 2HD LYS 5 19.370 -2.741 3.843 25 HE3 LYS 5 2HE LYS 5 20.981 -3.949 5.454 26 HZ1 LYS 5 3HZ LYS 5 21.145 -1.213 6.567 27 HZ2 LYS 5 1HZ LYS 5 22.424 -1.968 5.854 28 HZ3 LYS 5 2HZ LYS 5 21.741 -2.566 7.244 29 H LEU 6 H LEU 6 20.064 -3.427 0.788 30 HA LEU 6 HA LEU 6 19.332 -2.714 -2.020 31 HB3 LEU 6 2HB LEU 6 18.087 -4.806 -2.049 32 HG LEU 6 HG LEU 6 20.793 -5.466 -0.801 33 HD11 LEU 6 1HD1 LEU 6 20.583 -7.563 -2.038 34 HD12 LEU 6 2HD1 LEU 6 19.001 -7.040 -2.662 35 HD13 LEU 6 3HD1 LEU 6 19.203 -7.348 -0.934 36 HD21 LEU 6 3HD2 LEU 6 21.628 -5.527 -3.137 37 HD22 LEU 6 1HD2 LEU 6 21.124 -3.914 -2.649 38 HD23 LEU 6 2HD2 LEU 6 20.073 -4.883 -3.706 39 H MET 7 H MET 7 17.394 -1.540 -2.200 40 HA MET 7 HA MET 7 15.893 -0.840 0.181 41 HB3 MET 7 2HB MET 7 14.471 0.360 -1.451 42 HG3 MET 7 2HG MET 7 16.046 1.933 -2.364 43 HE1 MET 7 3HE MET 7 14.585 2.513 -0.211 44 HE2 MET 7 1HE MET 7 14.767 1.065 0.792 45 HE3 MET 7 2HE MET 7 15.246 2.661 1.434 46 H LYS 8 H LYS 8 13.392 -1.057 -0.228 47 HA LYS 8 HA LYS 8 12.718 -3.914 -0.496 48 HB3 LYS 8 2HB LYS 8 10.374 -3.162 -0.153 49 HG3 LYS 8 2HG LYS 8 12.244 -1.988 1.919 50 HD3 LYS 8 2HD LYS 8 9.617 -3.456 2.390 51 HE3 LYS 8 2HE LYS 8 9.567 -1.746 4.340 52 HZ1 LYS 8 3HZ LYS 8 11.504 -2.797 5.524 53 HZ2 LYS 8 1HZ LYS 8 11.657 -3.813 4.243 54 HZ3 LYS 8 2HZ LYS 8 10.245 -3.782 5.118 55 H THR 9 H THR 9 11.003 -4.589 -2.161 56 HA THR 9 HA THR 9 11.348 -3.039 -4.681 57 HB THR 9 HB THR 9 11.062 -5.180 -5.853 58 HG1 THR 9 1HG THR 9 10.981 -7.078 -4.721 59 HG21 THR 9 3HG2 THR 9 13.221 -6.146 -5.412 60 HG22 THR 9 1HG2 THR 9 13.287 -5.418 -3.796 61 HG23 THR 9 2HG2 THR 9 13.359 -4.384 -5.241 62 H GLN 10 H GLN 10 9.556 -3.607 -6.257 63 HA GLN 10 HA GLN 10 7.086 -2.658 -5.449 64 HB3 GLN 10 2HB GLN 10 7.462 -4.678 -7.693 65 HG3 GLN 10 2HG GLN 10 6.082 -3.033 -8.979 66 HE21 GLN 10 1HE2 GLN 10 3.694 -2.211 -7.256 67 HE22 GLN 10 2HE2 GLN 10 2.999 -3.695 -6.617 68 H GLU 11 H GLU 11 8.293 -6.043 -5.463 69 HA GLU 11 HA GLU 11 5.849 -7.382 -4.887 70 HB3 GLU 11 2HB GLU 11 7.488 -9.032 -3.779 71 HG3 GLU 11 2HG GLU 11 8.274 -8.390 -6.638 72 H GLU 12 H GLU 12 8.535 -6.486 -2.629 73 HA GLU 12 HA GLU 12 7.160 -7.336 -0.399 74 HB3 GLU 12 2HB GLU 12 8.773 -6.067 0.909 75 HG3 GLU 12 2HG GLU 12 10.192 -7.010 -1.625 76 H LEU 13 H LEU 13 7.372 -3.976 -1.705 77 HA LEU 13 HA LEU 13 5.834 -2.840 0.411 78 HB3 LEU 13 2HB LEU 13 5.206 -1.079 -1.422 79 HG LEU 13 HG LEU 13 6.868 0.247 -1.115 80 HD11 LEU 13 1HD1 LEU 13 8.315 -0.227 0.799 81 HD12 LEU 13 2HD1 LEU 13 7.884 -1.940 0.709 82 HD13 LEU 13 3HD1 LEU 13 6.656 -0.708 1.102 83 HD21 LEU 13 3HD2 LEU 13 8.992 -1.831 -1.619 84 HD22 LEU 13 1HD2 LEU 13 9.177 -0.060 -1.569 85 HD23 LEU 13 2HD2 LEU 13 8.256 -0.806 -2.869 86 H THR 14 H THR 14 4.755 -4.503 -2.555 87 HA THR 14 HA THR 14 1.964 -3.825 -2.132 88 HB THR 14 HB THR 14 3.157 -6.055 -3.834 89 HG1 THR 14 1HG THR 14 4.002 -4.251 -4.599 90 HG21 THR 14 3HG2 THR 14 1.096 -5.825 -5.143 91 HG22 THR 14 1HG2 THR 14 0.511 -4.540 -4.066 92 HG23 THR 14 2HG2 THR 14 0.679 -6.199 -3.459 93 H GLU 15 H GLU 15 4.000 -6.770 -1.509 94 HA GLU 15 HA GLU 15 1.959 -8.514 -0.566 95 HB3 GLU 15 2HB GLU 15 3.941 -9.572 0.681 96 HG3 GLU 15 2HG GLU 15 4.305 -8.999 -2.280 97 H ILE 16 H ILE 16 4.022 -6.188 1.194 98 HA ILE 16 HA ILE 16 3.146 -6.689 3.800 99 HB ILE 16 HB ILE 16 4.038 -4.172 2.304 100 HG13 ILE 16 2HG1 ILE 16 5.690 -6.156 2.758 101 HG21 ILE 16 1HG2 ILE 16 2.711 -3.456 4.253 102 HG22 ILE 16 2HG2 ILE 16 3.678 -4.473 5.303 103 HG23 ILE 16 3HG2 ILE 16 4.411 -3.078 4.481 104 HD11 ILE 16 3HD1 ILE 16 6.541 -3.461 3.916 105 HD12 ILE 16 1HD1 ILE 16 7.578 -4.749 3.291 106 HD13 ILE 16 2HD1 ILE 16 6.539 -3.841 2.186 107 H VAL 17 H VAL 17 1.820 -4.348 1.430 108 HA VAL 17 HA VAL 17 -0.295 -3.396 3.103 109 HB VAL 17 HB VAL 17 0.278 -3.265 0.107 110 HG11 VAL 17 1HG1 VAL 17 -1.938 -1.986 1.710 111 HG12 VAL 17 2HG1 VAL 17 -1.326 -1.260 0.207 112 HG13 VAL 17 3HG1 VAL 17 -2.043 -2.879 0.175 113 HG21 VAL 17 3HG2 VAL 17 0.471 -1.050 2.181 114 HG22 VAL 17 1HG2 VAL 17 1.831 -2.096 1.769 115 HG23 VAL 17 2HG2 VAL 17 1.113 -1.079 0.533 116 H ARG 18 H ARG 18 -0.108 -5.927 0.629 117 HA ARG 18 HA ARG 18 -2.851 -6.756 0.542 118 HB3 ARG 18 2HB ARG 18 -0.768 -8.899 0.364 119 HG3 ARG 18 2HG ARG 18 -2.420 -7.504 -1.792 120 HD3 ARG 18 2HD ARG 18 -1.239 -10.305 -1.792 121 HE ARG 18 HE ARG 18 -2.912 -9.870 -3.485 122 HH11 ARG 18 1HH1 ARG 18 0.298 -8.479 -4.172 123 HH12 ARG 18 2HH1 ARG 18 -0.161 -7.956 -5.772 124 HH21 ARG 18 1HH2 ARG 18 -3.413 -9.296 -5.635 125 HH22 ARG 18 2HH2 ARG 18 -2.345 -8.355 -6.586 126 H ASP 19 H ASP 19 -0.123 -8.121 2.492 127 HA ASP 19 HA ASP 19 -1.801 -9.856 3.878 128 HB3 ASP 19 2HB ASP 19 0.768 -8.779 5.050 129 H HIS 20 H HIS 20 -1.100 -6.426 4.702 130 HA HIS 20 HA HIS 20 -2.299 -6.588 7.309 131 HB3 HIS 20 2HB HIS 20 -2.687 -4.115 6.953 132 HD1 HIS 20 1HD HIS 20 -0.626 -5.451 8.855 133 HD2 HIS 20 2HD HIS 20 0.367 -3.298 5.354 134 HE1 HIS 20 1HE HIS 20 1.711 -4.624 9.169 135 H PHE 21 H PHE 21 -3.658 -5.993 4.015 136 HA PHE 21 HA PHE 21 -6.264 -5.428 5.231 137 HB3 PHE 21 2HB PHE 21 -6.114 -5.443 2.283 138 HD1 PHE 21 1HD PHE 21 -8.427 -5.060 4.303 139 HD2 PHE 21 2HD PHE 21 -5.739 -2.255 2.450 140 HE1 PHE 21 1HE PHE 21 -10.013 -3.233 4.774 141 HE2 PHE 21 2HE PHE 21 -7.399 -0.480 2.780 142 HZ PHE 21 HZ PHE 21 -9.525 -0.930 3.996 143 H SER 22 H SER 22 -4.750 -8.185 3.577 144 HA SER 22 HA SER 22 -7.091 -9.348 2.515 145 HB3 SER 22 2HB SER 22 -4.837 -9.974 1.839 146 HG SER 22 HG SER 22 -3.560 -11.219 3.363 147 H ASP 23 H ASP 23 -6.061 -9.007 5.767 148 HA ASP 23 HA ASP 23 -7.814 -11.181 6.803 149 HB3 ASP 23 2HB ASP 23 -6.760 -10.252 9.018 150 H MET 24 H MET 24 -8.257 -8.068 5.800 151 HA MET 24 HA MET 24 -10.326 -7.467 7.849 152 HB3 MET 24 2HB MET 24 -9.841 -5.102 7.557 153 HG3 MET 24 2HG MET 24 -7.196 -6.494 8.063 154 HE1 MET 24 3HE MET 24 -7.537 -3.419 6.839 155 HE2 MET 24 1HE MET 24 -6.335 -2.602 7.851 156 HE3 MET 24 2HE MET 24 -5.980 -4.207 7.190 157 H GLY 25 H GLY 25 -10.155 -8.717 4.882 158 HA2 GLY 25 1HA GLY 25 -12.537 -9.111 4.386 159 HA3 GLY 25 2HA GLY 25 -12.729 -7.388 4.152 160 H GLU 26 H GLU 26 -13.657 -8.119 2.083 161 HA GLU 26 HA GLU 26 -11.834 -9.439 0.192 162 HB3 GLU 26 2HB GLU 26 -13.840 -9.660 -1.226 163 HG3 GLU 26 2HG GLU 26 -14.609 -10.872 1.385 164 H ILE 27 H ILE 27 -10.458 -8.068 -0.479 165 HA ILE 27 HA ILE 27 -11.066 -5.499 -1.701 166 HB ILE 27 HB ILE 27 -8.612 -7.276 -2.070 167 HG13 ILE 27 2HG1 ILE 27 -9.397 -5.397 0.115 168 HG21 ILE 27 1HG2 ILE 27 -7.614 -5.072 -2.772 169 HG22 ILE 27 2HG2 ILE 27 -8.840 -5.681 -3.871 170 HG23 ILE 27 3HG2 ILE 27 -9.244 -4.372 -2.751 171 HD11 ILE 27 3HD1 ILE 27 -8.585 -7.831 0.438 172 HD12 ILE 27 1HD1 ILE 27 -6.952 -7.214 0.051 173 HD13 ILE 27 2HD1 ILE 27 -7.832 -6.591 1.447 174 H ALA 28 H ALA 28 -11.911 -5.232 -3.665 175 HA ALA 28 HA ALA 28 -12.457 -7.446 -5.535 176 HB1 ALA 28 1HB ALA 28 -13.023 -4.427 -5.647 177 HB2 ALA 28 2HB ALA 28 -13.385 -5.572 -6.938 178 HB3 ALA 28 3HB ALA 28 -14.193 -5.740 -5.381 179 H THR 29 H THR 29 -10.748 -4.264 -5.526 180 HA THR 29 HA THR 29 -8.852 -5.327 -7.568 181 HB THR 29 HB THR 29 -10.117 -2.569 -7.461 182 HG1 THR 29 1HG THR 29 -10.625 -3.986 -9.696 183 HG21 THR 29 3HG2 THR 29 -7.891 -2.463 -8.443 184 HG22 THR 29 1HG2 THR 29 -9.124 -2.269 -9.692 185 HG23 THR 29 2HG2 THR 29 -8.283 -3.831 -9.516 186 H LEU 30 H LEU 30 -6.869 -5.383 -6.848 187 HA LEU 30 HA LEU 30 -5.862 -3.404 -4.883 188 HB3 LEU 30 2HB LEU 30 -4.997 -6.307 -5.307 189 HG LEU 30 HG LEU 30 -4.194 -6.081 -2.950 190 HD11 LEU 30 1HD1 LEU 30 -2.627 -6.125 -4.891 191 HD12 LEU 30 2HD1 LEU 30 -2.003 -5.317 -3.449 192 HD13 LEU 30 3HD1 LEU 30 -2.553 -4.350 -4.825 193 HD21 LEU 30 3HD2 LEU 30 -4.124 -3.074 -3.404 194 HD22 LEU 30 1HD2 LEU 30 -3.603 -3.973 -1.977 195 HD23 LEU 30 2HD2 LEU 30 -5.316 -3.915 -2.372 196 H TYR 31 H TYR 31 -4.475 -2.047 -5.870 197 HA TYR 31 HA TYR 31 -2.592 -2.897 -7.923 198 HB3 TYR 31 2HB TYR 31 -4.771 -2.288 -9.165 199 HD1 TYR 31 1HD TYR 31 -5.396 -0.420 -6.679 200 HD2 TYR 31 2HD TYR 31 -4.040 0.503 -10.657 201 HE1 TYR 31 1HE TYR 31 -6.684 1.650 -6.612 202 HE2 TYR 31 2HE TYR 31 -5.172 2.706 -10.490 203 HH TYR 31 HH TYR 31 -7.481 3.473 -9.293 204 H VAL 32 H VAL 32 -1.188 -0.952 -8.561 205 HA VAL 32 HA VAL 32 -1.097 0.997 -6.340 206 HB VAL 32 HB VAL 32 1.361 -0.205 -7.632 207 HG11 VAL 32 1HG1 VAL 32 2.581 0.757 -5.913 208 HG12 VAL 32 2HG1 VAL 32 1.427 1.992 -6.394 209 HG13 VAL 32 3HG1 VAL 32 1.118 1.088 -4.932 210 HG21 VAL 32 3HG2 VAL 32 1.705 -1.464 -5.419 211 HG22 VAL 32 1HG2 VAL 32 0.013 -1.134 -5.060 212 HG23 VAL 32 2HG2 VAL 32 0.430 -2.152 -6.454 213 H GLN 33 H GLN 33 -1.057 3.056 -7.117 214 HA GLN 33 HA GLN 33 -0.583 3.521 -10.010 215 HB3 GLN 33 2HB GLN 33 -1.382 5.751 -9.647 216 HG3 GLN 33 2HG GLN 33 -3.219 4.247 -7.832 217 HE21 GLN 33 1HE2 GLN 33 -4.132 6.307 -7.319 218 HE22 GLN 33 2HE2 GLN 33 -5.122 7.119 -8.489 219 H VAL 34 H VAL 34 1.435 3.346 -7.244 220 HA VAL 34 HA VAL 34 3.594 4.816 -8.541 221 HB VAL 34 HB VAL 34 2.345 6.650 -7.690 222 HG11 VAL 34 1HG1 VAL 34 1.825 6.937 -5.272 223 HG12 VAL 34 2HG1 VAL 34 0.862 5.667 -6.029 224 HG13 VAL 34 3HG1 VAL 34 2.245 5.256 -4.993 225 HG21 VAL 34 3HG2 VAL 34 3.931 7.743 -6.329 226 HG22 VAL 34 1HG2 VAL 34 4.597 6.212 -5.714 227 HG23 VAL 34 2HG2 VAL 34 4.827 6.682 -7.413 228 H TYR 35 H TYR 35 5.441 3.763 -8.087 229 HA TYR 35 HA TYR 35 5.638 2.114 -5.625 230 HB3 TYR 35 2HB TYR 35 6.093 1.400 -8.504 231 HD1 TYR 35 1HD TYR 35 7.589 0.510 -5.110 232 HD2 TYR 35 2HD TYR 35 7.716 0.030 -9.401 233 HE1 TYR 35 1HE TYR 35 9.726 -0.671 -4.905 234 HE2 TYR 35 2HE TYR 35 9.843 -1.218 -9.188 235 HH TYR 35 HH TYR 35 11.806 -1.444 -6.480 236 H GLU 36 H GLU 36 7.150 3.070 -4.389 237 HA GLU 36 HA GLU 36 9.193 4.801 -5.521 238 HB3 GLU 36 2HB GLU 36 9.902 4.212 -2.922 239 HG3 GLU 36 2HG GLU 36 9.611 6.495 -3.857 240 H SER 37 H SER 37 10.488 3.594 -6.943 241 HA SER 37 HA SER 37 11.642 1.074 -6.046 242 HB3 SER 37 2HB SER 37 10.886 1.438 -8.360 243 HG SER 37 HG SER 37 13.029 2.615 -9.302 244 H SER 38 H SER 38 12.379 4.018 -5.003 245 HA SER 38 HA SER 38 15.208 3.220 -4.500 246 HB3 SER 38 2HB SER 38 15.820 5.565 -4.300 247 HG SER 38 HG SER 38 15.830 6.141 -6.335 248 H LEU 39 H LEU 39 12.163 3.392 -3.048 249 HA LEU 39 HA LEU 39 13.194 4.023 -0.397 250 HB3 LEU 39 2HB LEU 39 11.275 5.656 -0.019 251 HG LEU 39 HG LEU 39 13.393 6.587 -1.995 252 HD11 LEU 39 1HD1 LEU 39 11.548 8.210 -0.200 253 HD12 LEU 39 2HD1 LEU 39 11.436 8.077 -1.963 254 HD13 LEU 39 3HD1 LEU 39 12.846 8.849 -1.236 255 HD21 LEU 39 3HD2 LEU 39 14.354 5.732 0.156 256 HD22 LEU 39 1HD2 LEU 39 13.291 6.828 1.047 257 HD23 LEU 39 2HD2 LEU 39 14.557 7.464 -0.026 258 H GLU 40 H GLU 40 10.802 3.974 0.995 259 HA GLU 40 HA GLU 40 9.627 1.408 0.174 260 HB3 GLU 40 2HB GLU 40 9.724 0.585 2.358 261 HG3 GLU 40 2HG GLU 40 12.113 0.905 1.112 262 H SER 41 H SER 41 8.033 2.781 -0.839 263 HA SER 41 HA SER 41 5.980 3.889 1.014 264 HB3 SER 41 2HB SER 41 7.021 5.061 -1.554 265 HG SER 41 HG SER 41 5.820 6.636 -1.396 266 H LEU 42 H LEU 42 3.884 3.452 0.280 267 HA LEU 42 HA LEU 42 3.510 2.189 -2.368 268 HB3 LEU 42 2HB LEU 42 2.405 0.705 0.001 269 HG LEU 42 HG LEU 42 2.799 -1.221 -1.573 270 HD11 LEU 42 1HD1 LEU 42 0.923 -0.900 -3.018 271 HD12 LEU 42 2HD1 LEU 42 0.914 0.848 -2.718 272 HD13 LEU 42 3HD1 LEU 42 0.572 -0.294 -1.413 273 HD21 LEU 42 3HD2 LEU 42 3.353 -1.028 -3.832 274 HD22 LEU 42 1HD2 LEU 42 4.524 0.044 -3.045 275 HD23 LEU 42 2HD2 LEU 42 3.138 0.738 -3.832 276 H VAL 43 H VAL 43 1.841 3.428 -3.208 277 HA VAL 43 HA VAL 43 -0.481 4.002 -1.457 278 HB VAL 43 HB VAL 43 0.796 5.987 -3.363 279 HG11 VAL 43 1HG1 VAL 43 -1.567 6.385 -3.163 280 HG12 VAL 43 2HG1 VAL 43 -1.474 6.328 -1.375 281 HG13 VAL 43 3HG1 VAL 43 -0.697 7.640 -2.289 282 HG21 VAL 43 3HG2 VAL 43 2.350 5.864 -1.561 283 HG22 VAL 43 1HG2 VAL 43 1.346 7.272 -1.246 284 HG23 VAL 43 2HG2 VAL 43 1.057 5.768 -0.351 285 H GLY 44 H GLY 44 -2.434 3.991 -2.554 286 HA2 GLY 44 1HA GLY 44 -2.932 4.475 -5.190 287 HA3 GLY 44 2HA GLY 44 -2.408 2.788 -5.230 288 H GLY 45 H GLY 45 -4.515 4.364 -2.660 289 HA2 GLY 45 1HA GLY 45 -6.528 3.698 -1.966 290 HA3 GLY 45 2HA GLY 45 -6.888 3.365 -3.651 291 H VAL 46 H VAL 46 -8.300 1.776 -2.602 292 HA VAL 46 HA VAL 46 -7.495 -0.763 -3.399 293 HB VAL 46 HB VAL 46 -6.372 -0.970 -1.260 294 HG11 VAL 46 1HG1 VAL 46 -8.397 0.619 -0.127 295 HG12 VAL 46 2HG1 VAL 46 -8.580 -0.960 0.618 296 HG13 VAL 46 3HG1 VAL 46 -7.010 -0.112 0.668 297 HG21 VAL 46 3HG2 VAL 46 -8.883 -2.610 -1.184 298 HG22 VAL 46 1HG2 VAL 46 -7.400 -2.926 -2.127 299 HG23 VAL 46 2HG2 VAL 46 -7.339 -2.928 -0.359 300 H ILE 47 H ILE 47 -9.441 -1.770 -4.044 301 HA ILE 47 HA ILE 47 -11.940 -0.273 -3.330 302 HB ILE 47 HB ILE 47 -11.097 -1.618 -5.905 303 HG13 ILE 47 2HG1 ILE 47 -10.214 0.833 -5.166 304 HG21 ILE 47 1HG2 ILE 47 -13.202 -0.704 -6.871 305 HG22 ILE 47 2HG2 ILE 47 -13.522 -1.868 -5.586 306 HG23 ILE 47 3HG2 ILE 47 -13.681 -0.128 -5.264 307 HD11 ILE 47 3HD1 ILE 47 -10.123 1.465 -7.544 308 HD12 ILE 47 1HD1 ILE 47 -9.591 -0.203 -7.242 309 HD13 ILE 47 2HD1 ILE 47 -11.199 0.104 -7.926 310 H PHE 48 H PHE 48 -13.226 -1.492 -2.167 311 HA PHE 48 HA PHE 48 -12.893 -4.409 -1.958 312 HB3 PHE 48 2HB PHE 48 -15.082 -3.912 -0.486 313 HD1 PHE 48 1HD PHE 48 -11.527 -2.576 -0.272 314 HD2 PHE 48 2HD PHE 48 -14.702 -4.895 1.553 315 HE1 PHE 48 1HE PHE 48 -9.987 -3.313 1.521 316 HE2 PHE 48 2HE PHE 48 -13.182 -5.504 3.381 317 HZ PHE 48 HZ PHE 48 -10.814 -4.833 3.326 318 H GLU 49 H GLU 49 -14.568 -5.897 -2.176 319 HA GLU 49 HA GLU 49 -16.266 -5.827 -4.444 320 HB3 GLU 49 2HB GLU 49 -17.331 -7.660 -2.600 321 HG3 GLU 49 2HG GLU 49 -15.709 -9.272 -3.741 322 H ASP 50 H ASP 50 -16.711 -4.779 -1.153 323 HA ASP 50 HA ASP 50 -19.608 -4.388 -1.461 324 HB3 ASP 50 2HB ASP 50 -18.957 -3.533 1.084 325 H GLY 51 H GLY 51 -17.633 -2.774 -2.983 326 HA2 GLY 51 1HA GLY 51 -17.413 -0.654 -3.795 327 HA3 GLY 51 2HA GLY 51 -18.998 -0.316 -3.081 328 H ARG 52 H ARG 52 -15.678 -0.843 -1.904 329 HA ARG 52 HA ARG 52 -15.982 1.582 -0.207 330 HB3 ARG 52 2HB ARG 52 -15.212 0.647 1.701 331 HG3 ARG 52 2HG ARG 52 -16.754 -1.573 0.372 332 HD3 ARG 52 2HD ARG 52 -15.126 -2.335 2.279 333 HE ARG 52 HE ARG 52 -16.105 -0.688 3.939 334 HH11 ARG 52 1HH1 ARG 52 -17.381 -4.057 3.543 335 HH12 ARG 52 2HH1 ARG 52 -18.138 -4.061 5.061 336 HH21 ARG 52 1HH2 ARG 52 -17.114 -0.812 6.040 337 HH22 ARG 52 2HH2 ARG 52 -17.847 -2.297 6.549 338 H HIS 53 H HIS 53 -14.724 2.855 -1.411 339 HA HIS 53 HA HIS 53 -12.057 1.915 -2.354 340 HB3 HIS 53 2HB HIS 53 -13.248 4.680 -2.776 341 HD1 HIS 53 1HD HIS 53 -12.008 5.888 -4.974 342 HD2 HIS 53 2HD HIS 53 -10.108 2.520 -3.288 343 HE1 HIS 53 1HE HIS 53 -9.621 5.889 -5.817 344 H TYR 54 H TYR 54 -10.457 2.115 -0.856 345 HA TYR 54 HA TYR 54 -10.619 4.365 1.099 346 HB3 TYR 54 2HB TYR 54 -9.450 2.913 2.699 347 HD1 TYR 54 2HD TYR 54 -11.751 3.934 3.356 348 HD2 TYR 54 1HD TYR 54 -11.206 -0.008 1.739 349 HE1 TYR 54 2HE TYR 54 -13.834 3.212 4.478 350 HE2 TYR 54 1HE TYR 54 -13.197 -0.804 3.000 351 HH TYR 54 HH TYR 54 -15.296 1.480 4.813 352 H THR 55 H THR 55 -8.955 5.775 0.891 353 HA THR 55 HA THR 55 -6.812 5.446 -1.047 354 HB THR 55 HB THR 55 -6.189 7.679 -0.042 355 HG1 THR 55 1HG THR 55 -7.697 8.624 1.288 356 HG21 THR 55 3HG2 THR 55 -8.046 8.839 -1.175 357 HG22 THR 55 1HG2 THR 55 -9.012 7.350 -1.129 358 HG23 THR 55 2HG2 THR 55 -7.534 7.429 -2.117 359 H PHE 56 H PHE 56 -5.822 3.462 -0.075 360 HA PHE 56 HA PHE 56 -4.441 3.715 2.492 361 HB3 PHE 56 2HB PHE 56 -3.260 1.725 0.816 362 HD1 PHE 56 1HD PHE 56 -6.226 2.190 3.146 363 HD2 PHE 56 2HD PHE 56 -2.627 -0.003 2.236 364 HE1 PHE 56 1HE PHE 56 -6.560 0.796 5.162 365 HE2 PHE 56 2HE PHE 56 -3.015 -1.458 4.210 366 HZ PHE 56 HZ PHE 56 -5.005 -1.077 5.661 367 H VAL 57 H VAL 57 -2.704 4.696 2.991 368 HA VAL 57 HA VAL 57 -0.609 5.149 0.996 369 HB VAL 57 HB VAL 57 -1.772 7.199 1.035 370 HG11 VAL 57 1HG1 VAL 57 -1.701 7.178 4.068 371 HG12 VAL 57 2HG1 VAL 57 -2.250 8.534 3.069 372 HG13 VAL 57 3HG1 VAL 57 -3.154 7.018 3.056 373 HG21 VAL 57 3HG2 VAL 57 0.722 7.359 1.210 374 HG22 VAL 57 1HG2 VAL 57 -0.131 8.772 1.849 375 HG23 VAL 57 2HG2 VAL 57 0.553 7.573 2.961 376 H TYR 58 H TYR 58 1.070 4.177 1.700 377 HA TYR 58 HA TYR 58 1.697 4.106 4.630 378 HB3 TYR 58 2HB TYR 58 2.602 2.190 2.444 379 HD1 TYR 58 2HD TYR 58 1.928 2.055 6.124 380 HD2 TYR 58 1HD TYR 58 4.857 1.617 3.002 381 HE1 TYR 58 2HE TYR 58 3.468 1.012 7.748 382 HE2 TYR 58 1HE TYR 58 6.444 0.612 4.623 383 HH TYR 58 HH TYR 58 6.768 -0.026 6.795 384 H GLU 59 H GLU 59 3.461 5.138 5.293 385 HA GLU 59 HA GLU 59 5.866 5.195 3.646 386 HB3 GLU 59 2HB GLU 59 5.082 7.494 3.436 387 HG3 GLU 59 2HG GLU 59 4.822 7.479 6.477 388 H ASN 60 H ASN 60 7.717 5.006 5.055 389 HA ASN 60 HA ASN 60 8.853 3.867 6.495 390 HB3 ASN 60 2HB ASN 60 7.772 5.604 8.681 391 HD21 ASN 60 1HD2 ASN 60 9.371 5.942 10.298 392 HD22 ASN 60 2HD2 ASN 60 11.042 5.453 10.083 393 H GLU 61 H GLU 61 6.064 4.446 8.550 394 HA GLU 61 HA GLU 61 5.528 1.696 9.052 395 HB3 GLU 61 2HB GLU 61 7.355 1.694 10.541 396 HG3 GLU 61 2HG GLU 61 6.148 4.248 11.595 397 H ASP 62 H ASP 62 4.313 4.511 8.296 398 HA ASP 62 HA ASP 62 2.162 4.665 10.347 399 HB3 ASP 62 2HB ASP 62 2.107 7.106 9.399 400 H LEU 63 H LEU 63 1.115 3.042 9.128 401 HA LEU 63 HA LEU 63 0.073 3.558 6.440 402 HB3 LEU 63 2HB LEU 63 -0.675 1.677 8.713 403 HG LEU 63 HG LEU 63 -2.772 2.114 7.591 404 HD11 LEU 63 1HD1 LEU 63 -1.942 2.956 5.393 405 HD12 LEU 63 2HD1 LEU 63 -3.140 1.706 5.214 406 HD13 LEU 63 3HD1 LEU 63 -1.426 1.322 4.967 407 HD21 LEU 63 3HD2 LEU 63 -3.336 -0.162 7.032 408 HD22 LEU 63 1HD2 LEU 63 -2.150 -0.203 8.329 409 HD23 LEU 63 2HD2 LEU 63 -1.661 -0.584 6.674 410 H VAL 64 H VAL 64 -1.359 5.225 6.071 411 HA VAL 64 HA VAL 64 -3.303 5.844 8.234 412 HB VAL 64 HB VAL 64 -2.134 7.745 6.170 413 HG11 VAL 64 1HG1 VAL 64 -4.492 8.316 6.522 414 HG12 VAL 64 2HG1 VAL 64 -4.278 8.225 8.287 415 HG13 VAL 64 3HG1 VAL 64 -3.469 9.492 7.337 416 HG21 VAL 64 3HG2 VAL 64 -1.938 7.676 9.209 417 HG22 VAL 64 1HG2 VAL 64 -0.609 7.337 8.071 418 HG23 VAL 64 2HG2 VAL 64 -1.291 8.958 8.160 419 H TYR 65 H TYR 65 -5.444 5.968 7.623 420 HA TYR 65 HA TYR 65 -6.124 5.391 4.808 421 HB3 TYR 65 2HB TYR 65 -5.984 3.204 5.971 422 HD1 TYR 65 1HD TYR 65 -9.291 4.539 7.129 423 HD2 TYR 65 2HD TYR 65 -5.566 2.695 8.289 424 HE1 TYR 65 1HE TYR 65 -10.223 4.067 9.376 425 HE2 TYR 65 2HE TYR 65 -6.481 2.240 10.536 426 HH TYR 65 HH TYR 65 -9.844 3.166 11.460 427 H GLU 66 H GLU 66 -8.021 5.993 4.096 428 HA GLU 66 HA GLU 66 -10.094 7.091 5.755 429 HB3 GLU 66 2HB GLU 66 -8.984 8.840 3.518 430 HG3 GLU 66 2HG GLU 66 -10.578 9.342 6.055 431 H GLU 67 H GLU 67 -11.996 7.597 4.160 432 HA GLU 67 HA GLU 67 -12.298 5.503 2.084 433 HB3 GLU 67 2HB GLU 67 -14.345 7.418 3.319 434 HG3 GLU 67 2HG GLU 67 -14.634 4.660 2.056 435 H GLU 68 H GLU 68 -12.410 6.184 -0.141 436 HA GLU 68 HA GLU 68 -11.695 8.983 -0.587 437 HB3 GLU 68 2HB GLU 68 -12.393 7.315 -2.981 438 HG3 GLU 68 2HG GLU 68 -10.196 9.285 -2.140 439 H VAL 69 H VAL 69 -13.239 10.464 -0.300 440 HA VAL 69 HA VAL 69 -15.924 10.027 -1.492 441 HB VAL 69 HB VAL 69 -16.877 11.029 0.534 442 HG11 VAL 69 1HG1 VAL 69 -15.353 8.473 1.121 443 HG12 VAL 69 2HG1 VAL 69 -16.836 9.016 1.910 444 HG13 VAL 69 3HG1 VAL 69 -16.862 8.569 0.193 445 HG21 VAL 69 3HG2 VAL 69 -14.827 12.135 1.437 446 HG22 VAL 69 1HG2 VAL 69 -15.691 11.161 2.636 447 HG23 VAL 69 2HG2 VAL 69 -14.209 10.537 1.905 448 H LEU 70 H LEU 70 -13.644 11.429 -2.456 449 HA LEU 70 HA LEU 70 -12.723 13.310 -3.179 450 HB3 LEU 70 2HB LEU 70 -14.213 15.203 -3.827 451 HG LEU 70 HG LEU 70 -15.478 12.573 -4.692 452 HD11 LEU 70 1HD1 LEU 70 -16.087 13.873 -6.694 453 HD12 LEU 70 2HD1 LEU 70 -15.297 15.317 -6.009 454 HD13 LEU 70 3HD1 LEU 70 -16.730 14.620 -5.233 455 HD21 LEU 70 3HD2 LEU 70 -13.096 12.374 -5.129 456 HD22 LEU 70 1HD2 LEU 70 -13.052 14.005 -5.855 457 HD23 LEU 70 2HD2 LEU 70 -13.935 12.678 -6.645 Start of MODEL 8 1 H1 GLY 1 H GLY 1 31.413 -4.195 7.613 2 HA2 GLY 1 1HA GLY 1 30.518 -2.320 6.316 3 HA3 GLY 1 2HA GLY 1 31.702 -3.244 5.354 4 H ASP 2 H ASP 2 28.774 -1.811 5.143 5 HA ASP 2 HA ASP 2 27.213 -3.937 3.922 6 HB3 ASP 2 2HB ASP 2 25.490 -2.286 3.660 7 H ASP 3 H ASP 3 28.706 -4.484 2.086 8 HA ASP 3 HA ASP 3 28.310 -2.575 -0.184 9 HB3 ASP 3 2HB ASP 3 29.754 -5.240 -0.208 10 H ARG 4 H ARG 4 26.113 -2.672 0.278 11 HA ARG 4 HA ARG 4 24.405 -4.264 -1.143 12 HB3 ARG 4 2HB ARG 4 24.872 -6.270 -0.024 13 HG3 ARG 4 2HG ARG 4 24.039 -5.266 2.695 14 HD3 ARG 4 2HD ARG 4 24.372 -7.677 2.379 15 HE ARG 4 HE ARG 4 26.600 -6.963 0.817 16 HH11 ARG 4 1HH1 ARG 4 25.951 -9.278 3.437 17 HH12 ARG 4 2HH1 ARG 4 26.663 -10.619 2.551 18 HH21 ARG 4 1HH2 ARG 4 27.518 -8.754 -0.257 19 HH22 ARG 4 2HH2 ARG 4 27.767 -10.257 0.585 20 H LYS 5 H LYS 5 24.873 -1.539 0.490 21 HA LYS 5 HA LYS 5 22.555 -1.431 2.151 22 HB3 LYS 5 2HB LYS 5 24.174 0.986 1.291 23 HG3 LYS 5 2HG LYS 5 22.182 1.018 2.967 24 HD3 LYS 5 2HD LYS 5 24.430 -0.054 4.700 25 HE3 LYS 5 2HE LYS 5 21.586 0.638 5.485 26 HZ1 LYS 5 3HZ LYS 5 22.048 -1.211 6.726 27 HZ2 LYS 5 1HZ LYS 5 22.671 -0.055 7.718 28 HZ3 LYS 5 2HZ LYS 5 23.665 -0.987 6.780 29 H LEU 6 H LEU 6 20.921 -1.979 0.664 30 HA LEU 6 HA LEU 6 20.487 -0.140 -1.624 31 HB3 LEU 6 2HB LEU 6 19.329 -2.176 -2.592 32 HG LEU 6 HG LEU 6 22.266 -2.560 -1.857 33 HD11 LEU 6 1HD1 LEU 6 22.269 -3.996 -3.912 34 HD12 LEU 6 2HD1 LEU 6 20.500 -3.826 -3.968 35 HD13 LEU 6 3HD1 LEU 6 21.269 -4.619 -2.591 36 HD21 LEU 6 3HD2 LEU 6 22.119 -0.492 -3.040 37 HD22 LEU 6 1HD2 LEU 6 20.970 -1.185 -4.242 38 HD23 LEU 6 2HD2 LEU 6 22.665 -1.703 -4.181 39 H MET 7 H MET 7 18.113 -0.416 -2.451 40 HA MET 7 HA MET 7 16.513 0.833 -0.333 41 HB3 MET 7 2HB MET 7 15.268 1.649 -2.369 42 HG3 MET 7 2HG MET 7 16.971 3.154 -3.213 43 HE1 MET 7 3HE MET 7 15.641 4.355 0.309 44 HE2 MET 7 1HE MET 7 15.338 4.297 -1.442 45 HE3 MET 7 2HE MET 7 15.156 2.825 -0.444 46 H LYS 8 H LYS 8 14.049 0.450 -0.769 47 HA LYS 8 HA LYS 8 13.571 -2.431 -0.860 48 HB3 LYS 8 2HB LYS 8 11.185 -1.901 -0.512 49 HG3 LYS 8 2HG LYS 8 12.826 -0.393 1.539 50 HD3 LYS 8 2HD LYS 8 10.298 -2.096 1.859 51 HE3 LYS 8 2HE LYS 8 10.042 -0.389 3.810 52 HZ1 LYS 8 3HZ LYS 8 12.181 -2.423 4.047 53 HZ2 LYS 8 1HZ LYS 8 10.574 -2.655 4.314 54 HZ3 LYS 8 2HZ LYS 8 11.377 -1.659 5.292 55 H THR 9 H THR 9 11.356 -2.820 -2.321 56 HA THR 9 HA THR 9 11.741 -1.707 -5.026 57 HB THR 9 HB THR 9 11.202 -4.157 -5.707 58 HG1 THR 9 1HG THR 9 11.643 -5.713 -4.151 59 HG21 THR 9 3HG2 THR 9 13.414 -3.003 -5.978 60 HG22 THR 9 1HG2 THR 9 13.559 -4.737 -5.683 61 HG23 THR 9 2HG2 THR 9 13.875 -3.581 -4.365 62 H GLN 10 H GLN 10 9.710 -2.229 -6.405 63 HA GLN 10 HA GLN 10 7.364 -1.403 -5.079 64 HB3 GLN 10 2HB GLN 10 7.439 -3.046 -7.661 65 HG3 GLN 10 2HG GLN 10 5.418 -1.258 -6.254 66 HE21 GLN 10 1HE2 GLN 10 3.492 -0.697 -7.281 67 HE22 GLN 10 2HE2 GLN 10 3.401 -0.433 -9.016 68 H GLU 11 H GLU 11 8.584 -4.744 -5.722 69 HA GLU 11 HA GLU 11 6.280 -6.121 -5.110 70 HB3 GLU 11 2HB GLU 11 8.959 -7.172 -4.170 71 HG3 GLU 11 2HG GLU 11 6.608 -8.256 -5.788 72 H GLU 12 H GLU 12 8.892 -5.049 -2.868 73 HA GLU 12 HA GLU 12 7.737 -6.141 -0.521 74 HB3 GLU 12 2HB GLU 12 9.040 -4.306 0.625 75 HG3 GLU 12 2HG GLU 12 10.849 -5.591 -1.416 76 H LEU 13 H LEU 13 7.439 -2.857 -1.935 77 HA LEU 13 HA LEU 13 5.856 -1.801 0.161 78 HB3 LEU 13 2HB LEU 13 5.069 -0.255 -1.880 79 HG LEU 13 HG LEU 13 6.371 1.034 -0.670 80 HD11 LEU 13 1HD1 LEU 13 7.653 -0.559 0.637 81 HD12 LEU 13 2HD1 LEU 13 8.705 0.688 -0.024 82 HD13 LEU 13 3HD1 LEU 13 8.695 -0.920 -0.775 83 HD21 LEU 13 3HD2 LEU 13 8.236 0.333 -2.976 84 HD22 LEU 13 1HD2 LEU 13 8.130 1.888 -2.143 85 HD23 LEU 13 2HD2 LEU 13 6.773 1.337 -3.113 86 H THR 14 H THR 14 4.829 -3.321 -2.941 87 HA THR 14 HA THR 14 2.039 -3.189 -2.428 88 HB THR 14 HB THR 14 3.869 -4.866 -4.173 89 HG1 THR 14 1HG THR 14 1.780 -3.028 -4.683 90 HG21 THR 14 3HG2 THR 14 2.158 -6.481 -3.836 91 HG22 THR 14 1HG2 THR 14 1.782 -5.688 -5.377 92 HG23 THR 14 2HG2 THR 14 0.869 -5.274 -3.916 93 H GLU 15 H GLU 15 4.439 -5.831 -1.668 94 HA GLU 15 HA GLU 15 2.402 -7.568 -0.742 95 HB3 GLU 15 2HB GLU 15 4.357 -8.752 0.388 96 HG3 GLU 15 2HG GLU 15 5.378 -9.495 -1.732 97 H ILE 16 H ILE 16 4.374 -5.161 1.057 98 HA ILE 16 HA ILE 16 3.502 -5.816 3.667 99 HB ILE 16 HB ILE 16 3.998 -3.088 2.390 100 HG13 ILE 16 2HG1 ILE 16 5.935 -4.922 2.714 101 HG21 ILE 16 1HG2 ILE 16 4.344 -2.326 4.824 102 HG22 ILE 16 2HG2 ILE 16 2.671 -2.648 4.379 103 HG23 ILE 16 3HG2 ILE 16 3.580 -3.835 5.320 104 HD11 ILE 16 3HD1 ILE 16 6.216 -1.990 3.516 105 HD12 ILE 16 1HD1 ILE 16 7.567 -3.091 3.165 106 HD13 ILE 16 2HD1 ILE 16 6.422 -2.667 1.901 107 H VAL 17 H VAL 17 1.951 -3.705 1.214 108 HA VAL 17 HA VAL 17 -0.228 -3.041 2.976 109 HB VAL 17 HB VAL 17 0.350 -2.543 0.039 110 HG11 VAL 17 1HG1 VAL 17 -2.042 -1.794 1.735 111 HG12 VAL 17 2HG1 VAL 17 -1.531 -0.782 0.340 112 HG13 VAL 17 3HG1 VAL 17 -1.994 -2.478 0.121 113 HG21 VAL 17 3HG2 VAL 17 1.863 -1.395 1.492 114 HG22 VAL 17 1HG2 VAL 17 0.726 -0.236 0.837 115 HG23 VAL 17 2HG2 VAL 17 0.527 -0.798 2.512 116 H ARG 18 H ARG 18 0.176 -5.479 0.402 117 HA ARG 18 HA ARG 18 -2.480 -6.509 0.393 118 HB3 ARG 18 2HB ARG 18 0.229 -7.859 -0.014 119 HG3 ARG 18 2HG ARG 18 -2.508 -8.662 -1.072 120 HD3 ARG 18 2HD ARG 18 0.336 -9.579 -1.638 121 HE ARG 18 HE ARG 18 -2.093 -11.209 -2.247 122 HH11 ARG 18 1HH1 ARG 18 1.337 -11.249 -0.969 123 HH12 ARG 18 2HH1 ARG 18 0.983 -12.662 -0.046 124 HH21 ARG 18 1HH2 ARG 18 -2.309 -13.103 -1.201 125 HH22 ARG 18 2HH2 ARG 18 -1.015 -13.731 -0.169 126 H ASP 19 H ASP 19 0.420 -7.515 2.275 127 HA ASP 19 HA ASP 19 -0.848 -9.343 4.015 128 HB3 ASP 19 2HB ASP 19 1.784 -7.842 4.309 129 H HIS 20 H HIS 20 -1.252 -6.045 4.034 130 HA HIS 20 HA HIS 20 -1.714 -5.917 6.964 131 HB3 HIS 20 2HB HIS 20 -2.259 -3.388 5.851 132 HD1 HIS 20 1HD HIS 20 -1.608 -2.118 7.971 133 HD2 HIS 20 2HD HIS 20 1.152 -5.072 6.803 134 HE1 HIS 20 1HE HIS 20 0.293 -2.023 9.654 135 H PHE 21 H PHE 21 -3.501 -5.958 3.910 136 HA PHE 21 HA PHE 21 -5.931 -5.306 5.419 137 HB3 PHE 21 2HB PHE 21 -5.472 -5.059 2.416 138 HD1 PHE 21 2HD PHE 21 -8.026 -5.073 4.769 139 HD2 PHE 21 1HD PHE 21 -6.122 -2.378 2.083 140 HE1 PHE 21 2HE PHE 21 -9.918 -3.509 5.091 141 HE2 PHE 21 1HE PHE 21 -8.079 -0.826 2.314 142 HZ PHE 21 HZ PHE 21 -9.960 -1.377 3.836 143 H SER 22 H SER 22 -4.281 -7.933 3.940 144 HA SER 22 HA SER 22 -6.421 -9.439 2.897 145 HB3 SER 22 2HB SER 22 -3.797 -10.224 4.198 146 HG SER 22 HG SER 22 -5.397 -11.968 3.917 147 H ASP 23 H ASP 23 -5.498 -8.864 6.280 148 HA ASP 23 HA ASP 23 -7.150 -11.111 7.255 149 HB3 ASP 23 2HB ASP 23 -6.555 -10.153 9.510 150 H MET 24 H MET 24 -7.733 -7.901 6.294 151 HA MET 24 HA MET 24 -9.909 -7.404 8.256 152 HB3 MET 24 2HB MET 24 -9.566 -5.011 7.161 153 HG3 MET 24 2HG MET 24 -7.701 -6.436 9.041 154 HE1 MET 24 3HE MET 24 -8.747 -2.575 8.759 155 HE2 MET 24 1HE MET 24 -7.224 -1.882 8.176 156 HE3 MET 24 2HE MET 24 -8.157 -2.969 7.131 157 H GLY 25 H GLY 25 -9.682 -8.856 5.285 158 HA2 GLY 25 1HA GLY 25 -12.160 -9.400 4.776 159 HA3 GLY 25 2HA GLY 25 -12.203 -7.735 4.214 160 H GLU 26 H GLU 26 -12.447 -8.178 1.955 161 HA GLU 26 HA GLU 26 -10.131 -9.481 0.682 162 HB3 GLU 26 2HB GLU 26 -11.584 -10.549 -0.952 163 HG3 GLU 26 2HG GLU 26 -12.371 -11.574 1.778 164 H ILE 27 H ILE 27 -9.221 -8.229 -0.593 165 HA ILE 27 HA ILE 27 -10.371 -5.794 -1.679 166 HB ILE 27 HB ILE 27 -7.753 -7.246 -2.254 167 HG13 ILE 27 2HG1 ILE 27 -8.550 -5.366 -0.045 168 HG21 ILE 27 1HG2 ILE 27 -8.277 -5.778 -4.046 169 HG22 ILE 27 2HG2 ILE 27 -8.809 -4.486 -2.946 170 HG23 ILE 27 3HG2 ILE 27 -7.100 -4.946 -3.046 171 HD11 ILE 27 3HD1 ILE 27 -6.680 -6.506 1.154 172 HD12 ILE 27 1HD1 ILE 27 -7.815 -7.704 0.551 173 HD13 ILE 27 2HD1 ILE 27 -6.285 -7.425 -0.302 174 H ALA 28 H ALA 28 -11.376 -5.644 -3.493 175 HA ALA 28 HA ALA 28 -11.610 -7.813 -5.491 176 HB1 ALA 28 1HB ALA 28 -12.951 -6.101 -6.745 177 HB2 ALA 28 2HB ALA 28 -13.649 -6.491 -5.179 178 HB3 ALA 28 3HB ALA 28 -12.781 -4.967 -5.388 179 H THR 29 H THR 29 -10.942 -4.317 -5.731 180 HA THR 29 HA THR 29 -8.810 -4.943 -7.724 181 HB THR 29 HB THR 29 -10.367 -2.376 -7.274 182 HG1 THR 29 1HG THR 29 -11.633 -3.728 -8.381 183 HG21 THR 29 3HG2 THR 29 -8.087 -1.841 -7.974 184 HG22 THR 29 1HG2 THR 29 -9.189 -1.604 -9.318 185 HG23 THR 29 2HG2 THR 29 -8.163 -3.062 -9.259 186 H LEU 30 H LEU 30 -6.890 -5.032 -6.897 187 HA LEU 30 HA LEU 30 -6.006 -3.024 -4.898 188 HB3 LEU 30 2HB LEU 30 -4.531 -5.504 -5.857 189 HG LEU 30 HG LEU 30 -3.714 -3.331 -4.284 190 HD11 LEU 30 1HD1 LEU 30 -3.402 -4.237 -2.002 191 HD12 LEU 30 2HD1 LEU 30 -4.456 -5.606 -2.409 192 HD13 LEU 30 3HD1 LEU 30 -5.102 -3.946 -2.381 193 HD21 LEU 30 3HD2 LEU 30 -1.788 -4.826 -3.710 194 HD22 LEU 30 1HD2 LEU 30 -2.219 -4.689 -5.433 195 HD23 LEU 30 2HD2 LEU 30 -2.660 -6.148 -4.480 196 H TYR 31 H TYR 31 -4.533 -1.355 -5.813 197 HA TYR 31 HA TYR 31 -2.616 -2.185 -7.659 198 HB3 TYR 31 2HB TYR 31 -4.679 -1.636 -9.248 199 HD1 TYR 31 1HD TYR 31 -5.651 0.215 -7.120 200 HD2 TYR 31 2HD TYR 31 -3.380 1.050 -10.702 201 HE1 TYR 31 1HE TYR 31 -6.736 2.304 -7.279 202 HE2 TYR 31 2HE TYR 31 -4.364 3.319 -10.774 203 HH TYR 31 HH TYR 31 -7.134 4.168 -8.604 204 H VAL 32 H VAL 32 -1.464 -0.058 -8.362 205 HA VAL 32 HA VAL 32 -1.531 1.818 -6.078 206 HB VAL 32 HB VAL 32 0.922 1.065 -7.669 207 HG11 VAL 32 1HG1 VAL 32 0.933 3.132 -6.382 208 HG12 VAL 32 2HG1 VAL 32 0.702 2.220 -4.887 209 HG13 VAL 32 3HG1 VAL 32 2.187 2.017 -5.848 210 HG21 VAL 32 3HG2 VAL 32 0.198 -0.249 -5.008 211 HG22 VAL 32 1HG2 VAL 32 0.243 -1.091 -6.574 212 HG23 VAL 32 2HG2 VAL 32 1.724 -0.449 -5.899 213 H GLN 33 H GLN 33 -1.932 3.839 -6.897 214 HA GLN 33 HA GLN 33 -1.698 4.208 -9.832 215 HB3 GLN 33 2HB GLN 33 -3.549 5.430 -9.573 216 HG3 GLN 33 2HG GLN 33 -2.873 5.861 -6.655 217 HE21 GLN 33 1HE2 GLN 33 -6.127 5.813 -8.061 218 HE22 GLN 33 2HE2 GLN 33 -6.520 7.447 -7.616 219 H VAL 34 H VAL 34 0.232 4.529 -7.068 220 HA VAL 34 HA VAL 34 2.146 6.359 -8.312 221 HB VAL 34 HB VAL 34 1.926 7.729 -5.999 222 HG11 VAL 34 1HG1 VAL 34 0.826 9.502 -7.237 223 HG12 VAL 34 2HG1 VAL 34 1.988 8.688 -8.282 224 HG13 VAL 34 3HG1 VAL 34 0.247 8.359 -8.459 225 HG21 VAL 34 3HG2 VAL 34 -0.189 6.535 -5.306 226 HG22 VAL 34 1HG2 VAL 34 -0.387 8.292 -5.472 227 HG23 VAL 34 2HG2 VAL 34 -1.005 7.229 -6.719 228 H TYR 35 H TYR 35 3.622 4.849 -8.182 229 HA TYR 35 HA TYR 35 4.379 3.552 -5.619 230 HB3 TYR 35 2HB TYR 35 4.522 2.816 -8.546 231 HD1 TYR 35 2HD TYR 35 6.204 1.533 -5.386 232 HD2 TYR 35 1HD TYR 35 6.504 2.383 -9.608 233 HE1 TYR 35 2HE TYR 35 8.531 0.724 -5.390 234 HE2 TYR 35 1HE TYR 35 8.829 1.546 -9.622 235 HH TYR 35 HH TYR 35 10.496 0.538 -6.666 236 H GLU 36 H GLU 36 6.418 4.143 -4.825 237 HA GLU 36 HA GLU 36 7.773 6.305 -6.386 238 HB3 GLU 36 2HB GLU 36 8.876 6.089 -3.754 239 HG3 GLU 36 2HG GLU 36 7.826 8.325 -3.448 240 H SER 37 H SER 37 9.663 5.929 -7.314 241 HA SER 37 HA SER 37 11.065 3.357 -6.854 242 HB3 SER 37 2HB SER 37 10.406 3.425 -9.040 243 HG SER 37 HG SER 37 9.756 5.473 -9.345 244 H SER 38 H SER 38 11.199 6.493 -5.760 245 HA SER 38 HA SER 38 14.120 6.252 -5.232 246 HB3 SER 38 2HB SER 38 12.547 8.832 -5.138 247 HG SER 38 HG SER 38 14.604 9.084 -4.436 248 H LEU 39 H LEU 39 11.022 5.928 -3.820 249 HA LEU 39 HA LEU 39 12.127 6.187 -1.109 250 HB3 LEU 39 2HB LEU 39 10.001 7.362 -0.385 251 HG LEU 39 HG LEU 39 11.803 8.890 -2.309 252 HD11 LEU 39 1HD1 LEU 39 9.678 10.027 -2.131 253 HD12 LEU 39 2HD1 LEU 39 10.930 10.933 -1.279 254 HD13 LEU 39 3HD1 LEU 39 9.746 9.985 -0.355 255 HD21 LEU 39 3HD2 LEU 39 11.769 8.713 0.736 256 HD22 LEU 39 1HD2 LEU 39 12.803 9.798 -0.220 257 HD23 LEU 39 2HD2 LEU 39 13.013 8.048 -0.332 258 H GLU 40 H GLU 40 10.162 5.311 0.474 259 HA GLU 40 HA GLU 40 9.530 2.700 -0.719 260 HB3 GLU 40 2HB GLU 40 9.794 1.820 1.481 261 HG3 GLU 40 2HG GLU 40 11.870 1.992 0.129 262 H SER 41 H SER 41 7.581 4.035 -1.522 263 HA SER 41 HA SER 41 5.466 4.357 0.566 264 HB3 SER 41 2HB SER 41 6.039 6.055 -1.882 265 HG SER 41 HG SER 41 4.900 7.596 -0.606 266 H LEU 42 H LEU 42 3.337 3.845 -0.028 267 HA LEU 42 HA LEU 42 2.849 2.688 -2.713 268 HB3 LEU 42 2HB LEU 42 2.184 1.278 -0.087 269 HG LEU 42 HG LEU 42 1.945 -0.747 -1.403 270 HD11 LEU 42 1HD1 LEU 42 0.154 1.228 -2.810 271 HD12 LEU 42 2HD1 LEU 42 -0.082 0.730 -1.119 272 HD13 LEU 42 3HD1 LEU 42 -0.112 -0.473 -2.400 273 HD21 LEU 42 3HD2 LEU 42 2.341 0.849 -3.918 274 HD22 LEU 42 1HD2 LEU 42 2.028 -0.905 -3.737 275 HD23 LEU 42 2HD2 LEU 42 3.543 -0.218 -3.223 276 H VAL 43 H VAL 43 1.134 4.023 -3.399 277 HA VAL 43 HA VAL 43 -1.175 4.268 -1.554 278 HB VAL 43 HB VAL 43 -0.035 6.565 -3.168 279 HG11 VAL 43 1HG1 VAL 43 -2.094 6.489 -0.922 280 HG12 VAL 43 2HG1 VAL 43 -1.464 7.961 -1.682 281 HG13 VAL 43 3HG1 VAL 43 -2.413 6.830 -2.638 282 HG21 VAL 43 3HG2 VAL 43 0.723 7.555 -0.980 283 HG22 VAL 43 1HG2 VAL 43 0.504 5.953 -0.253 284 HG23 VAL 43 2HG2 VAL 43 1.683 6.204 -1.555 285 H GLY 44 H GLY 44 -3.186 4.387 -2.580 286 HA2 GLY 44 1HA GLY 44 -3.850 5.446 -4.861 287 HA3 GLY 44 2HA GLY 44 -3.395 3.859 -5.533 288 H GLY 45 H GLY 45 -5.149 4.768 -2.393 289 HA2 GLY 45 1HA GLY 45 -6.697 3.628 -1.405 290 HA3 GLY 45 2HA GLY 45 -7.626 3.877 -2.894 291 H VAL 46 H VAL 46 -8.626 1.830 -2.027 292 HA VAL 46 HA VAL 46 -7.764 -0.387 -3.600 293 HB VAL 46 HB VAL 46 -6.230 -0.643 -1.682 294 HG11 VAL 46 1HG1 VAL 46 -7.552 0.642 0.011 295 HG12 VAL 46 2HG1 VAL 46 -8.584 -0.788 0.176 296 HG13 VAL 46 3HG1 VAL 46 -6.829 -0.867 0.543 297 HG21 VAL 46 3HG2 VAL 46 -8.434 -2.691 -1.412 298 HG22 VAL 46 1HG2 VAL 46 -7.172 -2.672 -2.673 299 HG23 VAL 46 2HG2 VAL 46 -6.724 -2.854 -0.960 300 H ILE 47 H ILE 47 -9.547 -1.809 -3.900 301 HA ILE 47 HA ILE 47 -12.121 -0.747 -2.815 302 HB ILE 47 HB ILE 47 -11.407 -1.869 -5.536 303 HG13 ILE 47 2HG1 ILE 47 -10.784 0.651 -4.769 304 HG21 ILE 47 1HG2 ILE 47 -14.075 -0.774 -4.540 305 HG22 ILE 47 2HG2 ILE 47 -13.709 -1.185 -6.223 306 HG23 ILE 47 3HG2 ILE 47 -13.726 -2.454 -5.003 307 HD11 ILE 47 3HD1 ILE 47 -10.215 -0.146 -6.930 308 HD12 ILE 47 1HD1 ILE 47 -11.925 -0.105 -7.456 309 HD13 ILE 47 2HD1 ILE 47 -11.047 1.405 -7.090 310 H PHE 48 H PHE 48 -13.091 -2.180 -1.597 311 HA PHE 48 HA PHE 48 -12.365 -5.003 -1.479 312 HB3 PHE 48 2HB PHE 48 -14.723 -4.837 -0.098 313 HD1 PHE 48 2HD PHE 48 -11.102 -3.836 0.090 314 HD2 PHE 48 1HD PHE 48 -14.589 -5.288 2.200 315 HE1 PHE 48 2HE PHE 48 -9.684 -4.528 1.982 316 HE2 PHE 48 1HE PHE 48 -13.174 -5.814 4.153 317 HZ PHE 48 HZ PHE 48 -10.707 -5.519 4.013 318 H GLU 49 H GLU 49 -13.783 -6.756 -1.679 319 HA GLU 49 HA GLU 49 -15.323 -7.011 -4.071 320 HB3 GLU 49 2HB GLU 49 -15.964 -9.099 -2.310 321 HG3 GLU 49 2HG GLU 49 -13.626 -9.988 -3.413 322 H ASP 50 H ASP 50 -16.201 -6.330 -0.736 323 HA ASP 50 HA ASP 50 -19.075 -6.357 -1.112 324 HB3 ASP 50 2HB ASP 50 -18.887 -4.845 1.044 325 H GLY 51 H GLY 51 -16.815 -4.295 -2.483 326 HA2 GLY 51 1HA GLY 51 -16.821 -2.202 -3.374 327 HA3 GLY 51 2HA GLY 51 -18.563 -2.074 -3.110 328 H ARG 52 H ARG 52 -15.405 -1.920 -1.492 329 HA ARG 52 HA ARG 52 -16.435 0.247 0.190 330 HB3 ARG 52 2HB ARG 52 -15.809 -0.503 2.247 331 HG3 ARG 52 2HG ARG 52 -16.912 -2.941 0.889 332 HD3 ARG 52 2HD ARG 52 -15.637 -3.472 3.053 333 HE ARG 52 HE ARG 52 -17.083 -1.376 4.149 334 HH11 ARG 52 1HH1 ARG 52 -16.832 -4.899 4.993 335 HH12 ARG 52 2HH1 ARG 52 -17.374 -4.604 6.578 336 HH21 ARG 52 1HH2 ARG 52 -17.908 -1.152 6.139 337 HH22 ARG 52 2HH2 ARG 52 -18.229 -2.544 7.183 338 H HIS 53 H HIS 53 -15.167 1.731 -0.879 339 HA HIS 53 HA HIS 53 -12.361 1.061 -1.499 340 HB3 HIS 53 2HB HIS 53 -13.990 3.459 -2.358 341 HD1 HIS 53 1HD HIS 53 -13.117 3.880 -5.092 342 HD2 HIS 53 2HD HIS 53 -10.337 2.631 -2.197 343 HE1 HIS 53 1HE HIS 53 -10.820 4.526 -5.961 344 H TYR 54 H TYR 54 -10.721 1.818 -0.302 345 HA TYR 54 HA TYR 54 -11.093 4.172 1.492 346 HB3 TYR 54 2HB TYR 54 -9.639 2.833 3.125 347 HD1 TYR 54 1HD TYR 54 -11.863 4.161 3.692 348 HD2 TYR 54 2HD TYR 54 -11.715 -0.010 2.593 349 HE1 TYR 54 1HE TYR 54 -14.274 3.938 4.206 350 HE2 TYR 54 2HE TYR 54 -14.041 -0.272 3.311 351 HH TYR 54 HH TYR 54 -16.031 2.673 3.400 352 H THR 55 H THR 55 -9.293 5.500 1.754 353 HA THR 55 HA THR 55 -7.430 5.531 -0.571 354 HB THR 55 HB THR 55 -6.874 7.808 0.382 355 HG1 THR 55 1HG THR 55 -7.915 8.539 2.137 356 HG21 THR 55 3HG2 THR 55 -9.823 7.291 -0.122 357 HG22 THR 55 1HG2 THR 55 -8.581 7.593 -1.362 358 HG23 THR 55 2HG2 THR 55 -9.009 8.866 -0.207 359 H PHE 56 H PHE 56 -6.677 3.454 0.628 360 HA PHE 56 HA PHE 56 -4.786 3.500 2.689 361 HB3 PHE 56 2HB PHE 56 -3.815 1.727 0.708 362 HD1 PHE 56 1HD PHE 56 -6.844 1.757 3.020 363 HD2 PHE 56 2HD PHE 56 -3.030 0.055 2.032 364 HE1 PHE 56 1HE PHE 56 -7.064 0.159 4.904 365 HE2 PHE 56 2HE PHE 56 -3.288 -1.619 3.875 366 HZ PHE 56 HZ PHE 56 -5.316 -1.541 5.322 367 H VAL 57 H VAL 57 -3.277 4.755 3.034 368 HA VAL 57 HA VAL 57 -1.191 5.250 1.017 369 HB VAL 57 HB VAL 57 -2.267 7.342 1.424 370 HG11 VAL 57 1HG1 VAL 57 -2.553 8.411 3.584 371 HG12 VAL 57 2HG1 VAL 57 -3.463 6.893 3.529 372 HG13 VAL 57 3HG1 VAL 57 -1.930 6.989 4.424 373 HG21 VAL 57 3HG2 VAL 57 0.237 7.250 3.185 374 HG22 VAL 57 1HG2 VAL 57 0.241 7.412 1.417 375 HG23 VAL 57 2HG2 VAL 57 -0.445 8.687 2.421 376 H TYR 58 H TYR 58 0.627 4.258 1.628 377 HA TYR 58 HA TYR 58 1.062 3.663 4.513 378 HB3 TYR 58 2HB TYR 58 2.222 2.235 2.095 379 HD1 TYR 58 2HD TYR 58 1.401 1.489 5.702 380 HD2 TYR 58 1HD TYR 58 4.471 1.712 2.684 381 HE1 TYR 58 2HE TYR 58 2.926 0.356 7.221 382 HE2 TYR 58 1HE TYR 58 5.984 0.403 4.156 383 HH TYR 58 HH TYR 58 5.265 -0.581 7.458 384 H GLU 59 H GLU 59 2.777 4.738 5.334 385 HA GLU 59 HA GLU 59 4.565 6.263 3.499 386 HB3 GLU 59 2HB GLU 59 2.643 7.635 3.999 387 HG3 GLU 59 2HG GLU 59 3.360 7.847 6.900 388 H ASN 60 H ASN 60 6.228 4.919 3.978 389 HA ASN 60 HA ASN 60 8.107 4.230 4.926 390 HB3 ASN 60 2HB ASN 60 7.572 5.745 7.488 391 HD21 ASN 60 1HD2 ASN 60 9.115 4.631 8.709 392 HD22 ASN 60 2HD2 ASN 60 10.751 4.342 8.174 393 H GLU 61 H GLU 61 5.421 4.342 7.202 394 HA GLU 61 HA GLU 61 5.475 1.600 7.805 395 HB3 GLU 61 2HB GLU 61 7.323 1.777 9.157 396 HG3 GLU 61 2HG GLU 61 6.051 4.206 10.449 397 H ASP 62 H ASP 62 4.207 4.860 8.266 398 HA ASP 62 HA ASP 62 2.011 3.968 9.983 399 HB3 ASP 62 2HB ASP 62 1.164 6.339 9.311 400 H LEU 63 H LEU 63 -0.122 3.784 9.300 401 HA LEU 63 HA LEU 63 -0.725 3.659 6.394 402 HB3 LEU 63 2HB LEU 63 -1.300 1.667 8.607 403 HG LEU 63 HG LEU 63 -3.384 1.847 7.343 404 HD11 LEU 63 1HD1 LEU 63 -3.490 1.333 4.965 405 HD12 LEU 63 2HD1 LEU 63 -1.706 1.231 4.858 406 HD13 LEU 63 3HD1 LEU 63 -2.534 2.761 5.203 407 HD21 LEU 63 3HD2 LEU 63 -1.808 -0.624 6.551 408 HD22 LEU 63 1HD2 LEU 63 -3.574 -0.481 6.722 409 HD23 LEU 63 2HD2 LEU 63 -2.553 -0.339 8.156 410 H VAL 64 H VAL 64 -2.570 4.847 5.895 411 HA VAL 64 HA VAL 64 -4.603 5.318 8.007 412 HB VAL 64 HB VAL 64 -3.468 7.538 6.273 413 HG11 VAL 64 1HG1 VAL 64 -5.257 7.588 8.725 414 HG12 VAL 64 2HG1 VAL 64 -4.514 9.029 8.004 415 HG13 VAL 64 3HG1 VAL 64 -5.675 8.097 7.079 416 HG21 VAL 64 3HG2 VAL 64 -1.589 7.020 7.643 417 HG22 VAL 64 1HG2 VAL 64 -2.360 8.384 8.439 418 HG23 VAL 64 2HG2 VAL 64 -2.592 6.735 9.068 419 H TYR 65 H TYR 65 -6.704 6.033 7.113 420 HA TYR 65 HA TYR 65 -7.260 6.479 4.394 421 HB3 TYR 65 2HB TYR 65 -7.080 4.065 4.112 422 HD1 TYR 65 1HD TYR 65 -10.222 4.202 6.180 423 HD2 TYR 65 2HD TYR 65 -6.241 2.571 5.784 424 HE1 TYR 65 1HE TYR 65 -10.682 2.595 8.029 425 HE2 TYR 65 2HE TYR 65 -6.703 0.969 7.621 426 HH TYR 65 HH TYR 65 -9.591 1.100 9.605 427 H GLU 66 H GLU 66 -9.942 6.372 4.284 428 HA GLU 66 HA GLU 66 -11.241 6.818 6.825 429 HB3 GLU 66 2HB GLU 66 -12.136 9.055 5.468 430 HG3 GLU 66 2HG GLU 66 -10.468 10.414 6.758 431 H GLU 67 H GLU 67 -12.363 7.930 3.667 432 HA GLU 67 HA GLU 67 -13.489 5.469 2.783 433 HB3 GLU 67 2HB GLU 67 -15.169 7.867 3.599 434 HG3 GLU 67 2HG GLU 67 -15.778 6.580 1.244 435 H GLU 68 H GLU 68 -13.612 5.701 0.393 436 HA GLU 68 HA GLU 68 -11.944 7.937 -0.512 437 HB3 GLU 68 2HB GLU 68 -12.977 5.727 -2.318 438 HG3 GLU 68 2HG GLU 68 -10.229 6.267 -2.589 439 H VAL 69 H VAL 69 -12.920 9.819 -0.960 440 HA VAL 69 HA VAL 69 -15.565 9.766 -2.293 441 HB VAL 69 HB VAL 69 -16.220 11.683 -0.905 442 HG11 VAL 69 1HG1 VAL 69 -15.584 9.152 0.683 443 HG12 VAL 69 2HG1 VAL 69 -16.874 10.317 1.009 444 HG13 VAL 69 3HG1 VAL 69 -16.926 9.327 -0.460 445 HG21 VAL 69 3HG2 VAL 69 -13.923 10.924 0.958 446 HG22 VAL 69 1HG2 VAL 69 -13.968 12.406 -0.021 447 HG23 VAL 69 2HG2 VAL 69 -15.188 12.142 1.223 448 H LEU 70 H LEU 70 -14.245 9.798 -4.178 449 HA LEU 70 HA LEU 70 -13.073 12.446 -4.831 450 HB3 LEU 70 2HB LEU 70 -12.393 11.451 -6.940 451 HG LEU 70 HG LEU 70 -11.578 9.501 -4.757 452 HD11 LEU 70 1HD1 LEU 70 -10.145 10.547 -7.243 453 HD12 LEU 70 2HD1 LEU 70 -10.940 8.969 -7.084 454 HD13 LEU 70 3HD1 LEU 70 -9.536 9.318 -6.084 455 HD21 LEU 70 3HD2 LEU 70 -10.503 12.289 -5.245 456 HD22 LEU 70 1HD2 LEU 70 -9.633 11.016 -4.327 457 HD23 LEU 70 2HD2 LEU 70 -11.186 11.622 -3.753 Start of MODEL 9 1 H1 GLY 1 H GLY 1 34.326 -3.402 1.687 2 HA2 GLY 1 1HA GLY 1 34.156 -2.214 -0.459 3 HA3 GLY 1 2HA GLY 1 33.439 -3.703 -1.137 4 H ASP 2 H ASP 2 32.296 -1.059 -0.857 5 HA ASP 2 HA ASP 2 30.890 -1.084 1.709 6 HB3 ASP 2 2HB ASP 2 31.880 1.059 1.987 7 H ASP 3 H ASP 3 29.909 -1.533 -1.187 8 HA ASP 3 HA ASP 3 27.751 0.497 -1.339 9 HB3 ASP 3 2HB ASP 3 29.208 -0.852 -3.638 10 H ARG 4 H ARG 4 26.337 -0.735 -0.174 11 HA ARG 4 HA ARG 4 25.197 -3.111 -1.433 12 HB3 ARG 4 2HB ARG 4 26.430 -3.443 1.355 13 HG3 ARG 4 2HG ARG 4 25.063 -5.225 -0.648 14 HD3 ARG 4 2HD ARG 4 27.387 -6.105 -0.560 15 HE ARG 4 HE ARG 4 27.304 -5.654 2.183 16 HH11 ARG 4 1HH1 ARG 4 27.917 -8.562 0.125 17 HH12 ARG 4 2HH1 ARG 4 28.809 -9.332 1.409 18 HH21 ARG 4 1HH2 ARG 4 28.600 -6.779 3.770 19 HH22 ARG 4 2HH2 ARG 4 29.208 -8.363 3.356 20 H LYS 5 H LYS 5 23.683 -0.945 -1.287 21 HA LYS 5 HA LYS 5 21.963 -1.302 0.989 22 HB3 LYS 5 2HB LYS 5 22.357 1.499 0.032 23 HG3 LYS 5 2HG LYS 5 20.983 0.894 2.076 24 HD3 LYS 5 2HD LYS 5 23.753 0.413 3.295 25 HE3 LYS 5 2HE LYS 5 20.943 0.523 4.468 26 HZ1 LYS 5 3HZ LYS 5 22.049 -0.130 6.539 27 HZ2 LYS 5 1HZ LYS 5 23.438 -0.422 5.732 28 HZ3 LYS 5 2HZ LYS 5 22.082 -1.327 5.406 29 H LEU 6 H LEU 6 19.813 -1.414 0.390 30 HA LEU 6 HA LEU 6 18.960 -0.072 -2.132 31 HB3 LEU 6 2HB LEU 6 17.341 -1.929 -2.447 32 HG LEU 6 HG LEU 6 20.181 -2.998 -2.206 33 HD11 LEU 6 1HD1 LEU 6 18.512 -4.804 -2.223 34 HD12 LEU 6 2HD1 LEU 6 19.400 -4.761 -3.751 35 HD13 LEU 6 3HD1 LEU 6 17.752 -4.113 -3.672 36 HD21 LEU 6 3HD2 LEU 6 20.049 -1.118 -3.780 37 HD22 LEU 6 1HD2 LEU 6 18.638 -1.865 -4.589 38 HD23 LEU 6 2HD2 LEU 6 20.244 -2.630 -4.665 39 H MET 7 H MET 7 16.674 0.475 -2.142 40 HA MET 7 HA MET 7 15.389 1.104 0.427 41 HB3 MET 7 2HB MET 7 13.798 2.268 -1.112 42 HG3 MET 7 2HG MET 7 15.190 4.012 -1.987 43 HE1 MET 7 3HE MET 7 14.009 2.949 1.105 44 HE2 MET 7 1HE MET 7 14.473 4.454 1.928 45 HE3 MET 7 2HE MET 7 13.754 4.518 0.311 46 H LYS 8 H LYS 8 12.852 0.622 0.194 47 HA LYS 8 HA LYS 8 12.510 -2.194 -0.148 48 HB3 LYS 8 2HB LYS 8 10.020 -1.592 -0.017 49 HG3 LYS 8 2HG LYS 8 11.718 -0.530 2.257 50 HD3 LYS 8 2HD LYS 8 9.046 -2.027 2.172 51 HE3 LYS 8 2HE LYS 8 9.267 -1.447 4.729 52 HZ1 LYS 8 3HZ LYS 8 9.343 -3.714 4.317 53 HZ2 LYS 8 1HZ LYS 8 10.784 -3.481 4.984 54 HZ3 LYS 8 2HZ LYS 8 10.694 -3.654 3.355 55 H THR 9 H THR 9 11.657 -3.378 -1.824 56 HA THR 9 HA THR 9 11.661 -2.145 -4.455 57 HB THR 9 HB THR 9 11.205 -4.424 -5.225 58 HG1 THR 9 1HG THR 9 11.236 -6.060 -3.467 59 HG21 THR 9 3HG2 THR 9 13.529 -3.703 -4.601 60 HG22 THR 9 1HG2 THR 9 13.267 -5.459 -4.499 61 HG23 THR 9 2HG2 THR 9 13.314 -4.487 -3.021 62 H GLN 10 H GLN 10 9.745 -2.622 -5.929 63 HA GLN 10 HA GLN 10 7.301 -1.581 -4.880 64 HB3 GLN 10 2HB GLN 10 7.579 -3.270 -7.402 65 HG3 GLN 10 2HG GLN 10 6.259 -1.225 -8.288 66 HE21 GLN 10 1HE2 GLN 10 3.943 -1.241 -6.043 67 HE22 GLN 10 2HE2 GLN 10 3.065 -2.669 -6.577 68 H GLU 11 H GLU 11 8.678 -4.824 -5.073 69 HA GLU 11 HA GLU 11 6.314 -6.318 -4.674 70 HB3 GLU 11 2HB GLU 11 8.910 -7.294 -3.450 71 HG3 GLU 11 2HG GLU 11 6.785 -8.282 -5.424 72 H GLU 12 H GLU 12 8.852 -5.173 -2.414 73 HA GLU 12 HA GLU 12 7.733 -6.201 -0.079 74 HB3 GLU 12 2HB GLU 12 8.971 -4.266 1.057 75 HG3 GLU 12 2HG GLU 12 10.690 -5.715 -0.973 76 H LEU 13 H LEU 13 7.306 -2.948 -1.507 77 HA LEU 13 HA LEU 13 5.524 -1.997 0.505 78 HB3 LEU 13 2HB LEU 13 4.923 -0.255 -1.370 79 HG LEU 13 HG LEU 13 7.929 -0.724 -1.140 80 HD11 LEU 13 1HD1 LEU 13 8.095 1.679 -1.377 81 HD12 LEU 13 2HD1 LEU 13 6.341 1.851 -1.181 82 HD13 LEU 13 3HD1 LEU 13 7.007 1.082 -2.618 83 HD21 LEU 13 3HD2 LEU 13 7.932 0.692 0.900 84 HD22 LEU 13 1HD2 LEU 13 7.194 -0.869 1.172 85 HD23 LEU 13 2HD2 LEU 13 6.163 0.566 0.978 86 H THR 14 H THR 14 4.790 -3.685 -2.605 87 HA THR 14 HA THR 14 1.960 -3.540 -2.262 88 HB THR 14 HB THR 14 3.616 -5.769 -3.576 89 HG1 THR 14 1HG THR 14 4.108 -3.872 -4.573 90 HG21 THR 14 3HG2 THR 14 1.621 -6.163 -4.973 91 HG22 THR 14 1HG2 THR 14 0.719 -4.926 -4.063 92 HG23 THR 14 2HG2 THR 14 1.243 -6.424 -3.270 93 H GLU 15 H GLU 15 4.322 -6.059 -1.236 94 HA GLU 15 HA GLU 15 2.367 -7.855 -0.248 95 HB3 GLU 15 2HB GLU 15 4.493 -8.750 0.990 96 HG3 GLU 15 2HG GLU 15 5.545 -9.340 -1.292 97 H ILE 16 H ILE 16 3.999 -5.106 1.305 98 HA ILE 16 HA ILE 16 3.076 -5.691 3.951 99 HB ILE 16 HB ILE 16 3.767 -3.056 2.562 100 HG13 ILE 16 2HG1 ILE 16 5.571 -4.865 3.088 101 HG21 ILE 16 1HG2 ILE 16 2.284 -2.483 4.385 102 HG22 ILE 16 2HG2 ILE 16 3.140 -3.582 5.496 103 HG23 ILE 16 3HG2 ILE 16 3.915 -2.109 4.894 104 HD11 ILE 16 3HD1 ILE 16 6.192 -2.224 4.406 105 HD12 ILE 16 1HD1 ILE 16 7.247 -3.246 3.424 106 HD13 ILE 16 2HD1 ILE 16 5.962 -2.317 2.645 107 H VAL 17 H VAL 17 1.755 -3.383 1.524 108 HA VAL 17 HA VAL 17 -0.473 -2.837 3.182 109 HB VAL 17 HB VAL 17 -0.189 -2.327 0.194 110 HG11 VAL 17 1HG1 VAL 17 -1.820 -0.952 2.384 111 HG12 VAL 17 2HG1 VAL 17 -1.650 -0.368 0.713 112 HG13 VAL 17 3HG1 VAL 17 -2.448 -1.911 1.039 113 HG21 VAL 17 3HG2 VAL 17 0.733 -0.653 2.587 114 HG22 VAL 17 1HG2 VAL 17 1.781 -1.408 1.369 115 HG23 VAL 17 2HG2 VAL 17 0.702 -0.116 0.895 116 H ARG 18 H ARG 18 0.013 -5.253 0.664 117 HA ARG 18 HA ARG 18 -2.634 -6.286 0.391 118 HB3 ARG 18 2HB ARG 18 0.090 -7.669 0.461 119 HG3 ARG 18 2HG ARG 18 -2.425 -8.606 -0.954 120 HD3 ARG 18 2HD ARG 18 0.261 -9.871 -0.243 121 HE ARG 18 HE ARG 18 -2.290 -11.138 -0.730 122 HH11 ARG 18 1HH1 ARG 18 1.222 -11.522 -1.362 123 HH12 ARG 18 2HH1 ARG 18 1.064 -13.257 -1.553 124 HH21 ARG 18 1HH2 ARG 18 -2.329 -13.468 -0.669 125 HH22 ARG 18 2HH2 ARG 18 -0.913 -14.322 -1.243 126 H ASP 19 H ASP 19 0.032 -7.309 2.622 127 HA ASP 19 HA ASP 19 -1.586 -9.141 4.033 128 HB3 ASP 19 2HB ASP 19 0.929 -7.776 5.018 129 H HIS 20 H HIS 20 -1.231 -5.716 4.320 130 HA HIS 20 HA HIS 20 -2.387 -5.369 6.986 131 HB3 HIS 20 2HB HIS 20 -3.143 -3.110 5.864 132 HD1 HIS 20 1HD HIS 20 -2.372 -2.417 8.296 133 HD2 HIS 20 2HD HIS 20 0.684 -3.631 5.674 134 HE1 HIS 20 1HE HIS 20 -0.158 -1.684 9.362 135 H PHE 21 H PHE 21 -3.761 -5.792 3.716 136 HA PHE 21 HA PHE 21 -6.407 -5.220 4.890 137 HB3 PHE 21 2HB PHE 21 -6.378 -5.226 2.006 138 HD1 PHE 21 1HD PHE 21 -8.734 -5.035 3.037 139 HD2 PHE 21 2HD PHE 21 -5.607 -2.246 3.909 140 HE1 PHE 21 1HE PHE 21 -10.436 -3.332 3.774 141 HE2 PHE 21 2HE PHE 21 -7.275 -0.562 4.636 142 HZ PHE 21 HZ PHE 21 -9.705 -1.111 4.571 143 H SER 22 H SER 22 -4.686 -7.935 3.437 144 HA SER 22 HA SER 22 -6.913 -9.538 2.678 145 HB3 SER 22 2HB SER 22 -4.686 -10.162 2.063 146 HG SER 22 HG SER 22 -3.408 -10.870 4.195 147 H ASP 23 H ASP 23 -6.045 -8.264 5.689 148 HA ASP 23 HA ASP 23 -7.236 -10.484 7.304 149 HB3 ASP 23 2HB ASP 23 -5.800 -8.161 8.510 150 H MET 24 H MET 24 -8.258 -7.735 5.798 151 HA MET 24 HA MET 24 -10.146 -6.946 7.953 152 HB3 MET 24 2HB MET 24 -9.803 -4.603 7.354 153 HG3 MET 24 2HG MET 24 -7.060 -5.776 7.837 154 HE1 MET 24 3HE MET 24 -8.082 -2.723 6.638 155 HE2 MET 24 1HE MET 24 -6.818 -1.752 7.412 156 HE3 MET 24 2HE MET 24 -6.398 -3.306 6.654 157 H GLY 25 H GLY 25 -10.136 -8.420 5.020 158 HA2 GLY 25 1HA GLY 25 -12.729 -8.620 4.856 159 HA3 GLY 25 2HA GLY 25 -12.620 -7.050 4.100 160 H GLU 26 H GLU 26 -13.198 -7.436 2.040 161 HA GLU 26 HA GLU 26 -12.073 -9.718 0.529 162 HB3 GLU 26 2HB GLU 26 -14.553 -9.799 -0.381 163 HG3 GLU 26 2HG GLU 26 -14.972 -11.228 1.846 164 H ILE 27 H ILE 27 -10.823 -8.723 -0.543 165 HA ILE 27 HA ILE 27 -11.154 -6.105 -1.819 166 HB ILE 27 HB ILE 27 -8.899 -8.157 -1.898 167 HG13 ILE 27 2HG1 ILE 27 -9.522 -6.649 0.364 168 HG21 ILE 27 1HG2 ILE 27 -9.245 -5.391 -3.059 169 HG22 ILE 27 2HG2 ILE 27 -7.656 -5.948 -2.555 170 HG23 ILE 27 3HG2 ILE 27 -8.531 -6.862 -3.780 171 HD11 ILE 27 3HD1 ILE 27 -6.676 -7.225 -0.596 172 HD12 ILE 27 1HD1 ILE 27 -7.230 -7.016 1.078 173 HD13 ILE 27 2HD1 ILE 27 -7.730 -8.434 0.168 174 H ALA 28 H ALA 28 -12.063 -5.895 -3.792 175 HA ALA 28 HA ALA 28 -12.305 -8.102 -5.719 176 HB1 ALA 28 1HB ALA 28 -13.118 -6.352 -7.245 177 HB2 ALA 28 2HB ALA 28 -14.029 -6.380 -5.741 178 HB3 ALA 28 3HB ALA 28 -12.817 -5.105 -6.010 179 H THR 29 H THR 29 -10.265 -5.134 -5.217 180 HA THR 29 HA THR 29 -8.162 -6.296 -6.943 181 HB THR 29 HB THR 29 -9.485 -3.583 -7.410 182 HG1 THR 29 1HG THR 29 -9.442 -6.006 -8.889 183 HG21 THR 29 3HG2 THR 29 -7.084 -3.419 -7.906 184 HG22 THR 29 1HG2 THR 29 -8.035 -3.363 -9.385 185 HG23 THR 29 2HG2 THR 29 -7.177 -4.861 -8.940 186 H LEU 30 H LEU 30 -6.172 -5.839 -6.270 187 HA LEU 30 HA LEU 30 -5.676 -3.549 -4.471 188 HB3 LEU 30 2HB LEU 30 -4.346 -6.260 -4.109 189 HG LEU 30 HG LEU 30 -4.212 -3.576 -2.794 190 HD11 LEU 30 1HD1 LEU 30 -3.950 -4.453 -0.503 191 HD12 LEU 30 2HD1 LEU 30 -4.455 -6.065 -1.067 192 HD13 LEU 30 3HD1 LEU 30 -5.587 -4.699 -1.120 193 HD21 LEU 30 3HD2 LEU 30 -2.228 -4.656 -3.796 194 HD22 LEU 30 1HD2 LEU 30 -2.391 -6.022 -2.671 195 HD23 LEU 30 2HD2 LEU 30 -2.005 -4.400 -2.058 196 H TYR 31 H TYR 31 -4.588 -2.271 -5.902 197 HA TYR 31 HA TYR 31 -2.092 -3.299 -7.090 198 HB3 TYR 31 2HB TYR 31 -4.055 -3.382 -8.839 199 HD1 TYR 31 1HD TYR 31 -5.063 -0.757 -7.329 200 HD2 TYR 31 2HD TYR 31 -3.032 -1.390 -11.081 201 HE1 TYR 31 1HE TYR 31 -6.012 1.335 -8.157 202 HE2 TYR 31 2HE TYR 31 -4.027 0.696 -11.948 203 HH TYR 31 HH TYR 31 -5.979 2.196 -11.534 204 H VAL 32 H VAL 32 -0.935 -1.242 -8.124 205 HA VAL 32 HA VAL 32 -1.243 0.901 -6.074 206 HB VAL 32 HB VAL 32 1.357 0.028 -7.351 207 HG11 VAL 32 1HG1 VAL 32 2.359 1.244 -5.509 208 HG12 VAL 32 2HG1 VAL 32 1.277 2.273 -6.406 209 HG13 VAL 32 3HG1 VAL 32 0.751 1.621 -4.846 210 HG21 VAL 32 3HG2 VAL 32 0.118 -0.843 -4.690 211 HG22 VAL 32 1HG2 VAL 32 0.577 -1.905 -6.019 212 HG23 VAL 32 2HG2 VAL 32 1.831 -1.074 -5.102 213 H GLN 33 H GLN 33 -0.958 2.980 -6.794 214 HA GLN 33 HA GLN 33 -1.323 3.375 -9.733 215 HB3 GLN 33 2HB GLN 33 -2.457 5.462 -9.051 216 HG3 GLN 33 2HG GLN 33 -3.590 3.000 -7.632 217 HE21 GLN 33 1HE2 GLN 33 -4.042 6.342 -7.824 218 HE22 GLN 33 2HE2 GLN 33 -5.739 6.219 -7.444 219 H VAL 34 H VAL 34 1.060 3.587 -7.405 220 HA VAL 34 HA VAL 34 2.851 5.364 -8.650 221 HB VAL 34 HB VAL 34 1.475 7.201 -8.158 222 HG11 VAL 34 1HG1 VAL 34 0.575 7.588 -5.757 223 HG12 VAL 34 2HG1 VAL 34 -0.262 6.406 -6.775 224 HG13 VAL 34 3HG1 VAL 34 0.874 5.853 -5.545 225 HG21 VAL 34 3HG2 VAL 34 3.341 7.080 -5.759 226 HG22 VAL 34 1HG2 VAL 34 3.774 7.618 -7.393 227 HG23 VAL 34 2HG2 VAL 34 2.595 8.528 -6.459 228 H TYR 35 H TYR 35 4.783 4.689 -7.919 229 HA TYR 35 HA TYR 35 5.049 3.212 -5.333 230 HB3 TYR 35 2HB TYR 35 5.844 2.415 -8.161 231 HD1 TYR 35 1HD TYR 35 6.573 1.368 -4.630 232 HD2 TYR 35 2HD TYR 35 8.039 1.680 -8.656 233 HE1 TYR 35 1HE TYR 35 8.805 0.537 -3.878 234 HE2 TYR 35 2HE TYR 35 10.237 0.813 -7.938 235 HH TYR 35 HH TYR 35 11.034 0.190 -4.492 236 H GLU 36 H GLU 36 6.558 4.156 -4.129 237 HA GLU 36 HA GLU 36 8.419 6.033 -5.425 238 HB3 GLU 36 2HB GLU 36 9.114 6.061 -2.840 239 HG3 GLU 36 2HG GLU 36 8.461 7.997 -4.155 240 H SER 37 H SER 37 10.149 5.182 -6.387 241 HA SER 37 HA SER 37 11.407 2.707 -5.516 242 HB3 SER 37 2HB SER 37 11.388 3.081 -7.826 243 HG SER 37 HG SER 37 12.638 5.575 -7.709 244 H SER 38 H SER 38 11.545 5.948 -4.450 245 HA SER 38 HA SER 38 14.338 5.675 -3.453 246 HB3 SER 38 2HB SER 38 14.541 7.940 -3.636 247 HG SER 38 HG SER 38 13.417 8.720 -5.467 248 H LEU 39 H LEU 39 11.094 5.433 -2.300 249 HA LEU 39 HA LEU 39 11.781 5.917 0.466 250 HB3 LEU 39 2HB LEU 39 9.489 7.235 0.462 251 HG LEU 39 HG LEU 39 11.913 8.727 -0.639 252 HD11 LEU 39 1HD1 LEU 39 10.841 10.709 0.341 253 HD12 LEU 39 2HD1 LEU 39 9.463 9.723 0.871 254 HD13 LEU 39 3HD1 LEU 39 9.784 9.954 -0.862 255 HD21 LEU 39 3HD2 LEU 39 12.592 7.685 1.438 256 HD22 LEU 39 1HD2 LEU 39 11.075 8.171 2.249 257 HD23 LEU 39 2HD2 LEU 39 12.284 9.386 1.770 258 H GLU 40 H GLU 40 10.036 4.928 1.761 259 HA GLU 40 HA GLU 40 9.135 2.556 0.421 260 HB3 GLU 40 2HB GLU 40 8.583 1.844 2.702 261 HG3 GLU 40 2HG GLU 40 11.007 1.910 1.743 262 H SER 41 H SER 41 7.607 4.614 -0.768 263 HA SER 41 HA SER 41 5.150 4.929 0.881 264 HB3 SER 41 2HB SER 41 5.568 6.469 -1.642 265 HG SER 41 HG SER 41 4.984 7.402 0.964 266 H LEU 42 H LEU 42 3.383 3.870 0.324 267 HA LEU 42 HA LEU 42 3.097 2.877 -2.499 268 HB3 LEU 42 2HB LEU 42 1.890 1.511 -0.071 269 HG LEU 42 HG LEU 42 2.073 0.993 -3.050 270 HD11 LEU 42 1HD1 LEU 42 1.353 -1.345 -2.708 271 HD12 LEU 42 2HD1 LEU 42 1.751 -1.156 -0.999 272 HD13 LEU 42 3HD1 LEU 42 3.003 -0.956 -2.256 273 HD21 LEU 42 3HD2 LEU 42 -0.236 0.741 -1.031 274 HD22 LEU 42 1HD2 LEU 42 -0.359 0.159 -2.690 275 HD23 LEU 42 2HD2 LEU 42 -0.153 1.865 -2.393 276 H VAL 43 H VAL 43 1.472 4.107 -3.515 277 HA VAL 43 HA VAL 43 -0.918 4.660 -1.891 278 HB VAL 43 HB VAL 43 0.614 6.615 -3.611 279 HG11 VAL 43 1HG1 VAL 43 -1.718 6.863 -4.310 280 HG12 VAL 43 2HG1 VAL 43 -2.247 6.949 -2.611 281 HG13 VAL 43 3HG1 VAL 43 -1.240 8.233 -3.312 282 HG21 VAL 43 3HG2 VAL 43 0.514 8.078 -1.698 283 HG22 VAL 43 1HG2 VAL 43 -0.423 6.886 -0.793 284 HG23 VAL 43 2HG2 VAL 43 1.261 6.547 -1.252 285 H GLY 44 H GLY 44 -2.897 4.452 -2.962 286 HA2 GLY 44 1HA GLY 44 -3.527 4.159 -5.544 287 HA3 GLY 44 2HA GLY 44 -2.753 2.606 -5.291 288 H GLY 45 H GLY 45 -4.691 3.748 -2.496 289 HA2 GLY 45 1HA GLY 45 -6.404 2.764 -1.532 290 HA3 GLY 45 2HA GLY 45 -7.141 2.969 -3.127 291 H VAL 46 H VAL 46 -8.425 1.228 -2.063 292 HA VAL 46 HA VAL 46 -7.737 -1.285 -3.307 293 HB VAL 46 HB VAL 46 -6.937 -1.918 -1.087 294 HG11 VAL 46 1HG1 VAL 46 -8.146 -1.481 0.999 295 HG12 VAL 46 2HG1 VAL 46 -7.740 0.037 0.204 296 HG13 VAL 46 3HG1 VAL 46 -9.401 -0.616 0.089 297 HG21 VAL 46 3HG2 VAL 46 -8.436 -3.578 -1.952 298 HG22 VAL 46 1HG2 VAL 46 -8.505 -3.461 -0.172 299 HG23 VAL 46 2HG2 VAL 46 -9.816 -2.793 -1.149 300 H ILE 47 H ILE 47 -9.457 -2.220 -4.219 301 HA ILE 47 HA ILE 47 -12.103 -0.888 -3.746 302 HB ILE 47 HB ILE 47 -11.104 -2.458 -6.141 303 HG13 ILE 47 2HG1 ILE 47 -10.227 0.106 -5.633 304 HG21 ILE 47 1HG2 ILE 47 -13.548 -2.628 -5.882 305 HG22 ILE 47 2HG2 ILE 47 -13.681 -0.868 -5.721 306 HG23 ILE 47 3HG2 ILE 47 -13.170 -1.589 -7.257 307 HD11 ILE 47 3HD1 ILE 47 -9.984 0.366 -8.054 308 HD12 ILE 47 1HD1 ILE 47 -9.491 -1.241 -7.470 309 HD13 ILE 47 2HD1 ILE 47 -11.053 -1.040 -8.309 310 H PHE 48 H PHE 48 -13.414 -2.089 -2.546 311 HA PHE 48 HA PHE 48 -13.069 -5.001 -2.147 312 HB3 PHE 48 2HB PHE 48 -15.433 -4.483 -0.980 313 HD1 PHE 48 2HD PHE 48 -11.834 -3.531 -0.507 314 HD2 PHE 48 1HD PHE 48 -15.480 -4.973 1.306 315 HE1 PHE 48 2HE PHE 48 -10.587 -4.133 1.512 316 HE2 PHE 48 1HE PHE 48 -14.225 -5.506 3.365 317 HZ PHE 48 HZ PHE 48 -11.796 -5.082 3.491 318 H GLU 49 H GLU 49 -14.744 -6.547 -2.566 319 HA GLU 49 HA GLU 49 -16.145 -6.459 -5.043 320 HB3 GLU 49 2HB GLU 49 -17.454 -8.332 -3.884 321 HG3 GLU 49 2HG GLU 49 -14.439 -8.510 -4.225 322 H ASP 50 H ASP 50 -16.968 -5.473 -1.802 323 HA ASP 50 HA ASP 50 -19.820 -5.201 -2.142 324 HB3 ASP 50 2HB ASP 50 -19.536 -3.847 0.032 325 H GLY 51 H GLY 51 -17.478 -3.429 -3.640 326 HA2 GLY 51 1HA GLY 51 -17.310 -1.356 -4.526 327 HA3 GLY 51 2HA GLY 51 -19.040 -1.115 -4.210 328 H ARG 52 H ARG 52 -15.946 -1.372 -2.418 329 HA ARG 52 HA ARG 52 -16.606 1.072 -0.909 330 HB3 ARG 52 2HB ARG 52 -15.889 0.178 1.140 331 HG3 ARG 52 2HG ARG 52 -17.657 -1.933 -0.124 332 HD3 ARG 52 2HD ARG 52 -17.076 -1.441 2.810 333 HE ARG 52 HE ARG 52 -18.873 -3.593 2.108 334 HH11 ARG 52 1HH1 ARG 52 -18.633 -0.380 3.489 335 HH12 ARG 52 2HH1 ARG 52 -20.312 -0.011 3.459 336 HH21 ARG 52 1HH2 ARG 52 -21.169 -3.284 2.157 337 HH22 ARG 52 2HH2 ARG 52 -21.824 -1.837 2.848 338 H HIS 53 H HIS 53 -15.186 2.303 -2.158 339 HA HIS 53 HA HIS 53 -12.479 1.246 -2.727 340 HB3 HIS 53 2HB HIS 53 -13.362 4.064 -3.335 341 HD1 HIS 53 1HD HIS 53 -12.651 4.048 -6.286 342 HD2 HIS 53 2HD HIS 53 -10.245 2.105 -3.396 343 HE1 HIS 53 1HE HIS 53 -10.288 3.922 -7.228 344 H TYR 54 H TYR 54 -10.960 1.479 -1.182 345 HA TYR 54 HA TYR 54 -11.123 3.797 0.701 346 HB3 TYR 54 2HB TYR 54 -9.928 2.545 2.312 347 HD1 TYR 54 2HD TYR 54 -12.890 2.841 1.745 348 HD2 TYR 54 1HD TYR 54 -10.502 -0.730 2.105 349 HE1 TYR 54 2HE TYR 54 -14.757 1.788 2.738 350 HE2 TYR 54 1HE TYR 54 -12.500 -1.932 2.936 351 HH TYR 54 HH TYR 54 -14.719 -1.747 3.605 352 H THR 55 H THR 55 -8.948 4.631 1.355 353 HA THR 55 HA THR 55 -7.133 4.740 -1.036 354 HB THR 55 HB THR 55 -6.462 6.898 0.263 355 HG1 THR 55 1HG THR 55 -7.623 6.844 2.105 356 HG21 THR 55 3HG2 THR 55 -8.346 8.143 -0.816 357 HG22 THR 55 1HG2 THR 55 -9.108 6.582 -1.187 358 HG23 THR 55 2HG2 THR 55 -7.535 6.988 -1.899 359 H PHE 56 H PHE 56 -4.732 5.358 -0.187 360 HA PHE 56 HA PHE 56 -3.903 3.649 2.009 361 HB3 PHE 56 2HB PHE 56 -2.387 2.456 0.159 362 HD1 PHE 56 2HD PHE 56 -4.886 1.892 2.418 363 HD2 PHE 56 1HD PHE 56 -3.496 0.452 -1.385 364 HE1 PHE 56 2HE PHE 56 -5.758 -0.244 2.945 365 HE2 PHE 56 1HE PHE 56 -4.442 -1.792 -0.861 366 HZ PHE 56 HZ PHE 56 -5.547 -2.184 1.354 367 H VAL 57 H VAL 57 -2.129 4.722 2.838 368 HA VAL 57 HA VAL 57 -0.066 5.824 1.201 369 HB VAL 57 HB VAL 57 -1.690 7.696 1.233 370 HG11 VAL 57 1HG1 VAL 57 -1.003 8.326 4.099 371 HG12 VAL 57 2HG1 VAL 57 -2.305 8.949 3.082 372 HG13 VAL 57 3HG1 VAL 57 -2.390 7.307 3.758 373 HG21 VAL 57 3HG2 VAL 57 0.734 8.077 0.931 374 HG22 VAL 57 1HG2 VAL 57 -0.043 9.430 1.771 375 HG23 VAL 57 2HG2 VAL 57 0.930 8.250 2.678 376 H TYR 58 H TYR 58 0.819 4.067 2.166 377 HA TYR 58 HA TYR 58 1.019 3.799 5.083 378 HB3 TYR 58 2HB TYR 58 2.398 2.410 2.689 379 HD1 TYR 58 2HD TYR 58 1.702 1.703 6.335 380 HD2 TYR 58 1HD TYR 58 4.493 1.379 3.072 381 HE1 TYR 58 2HE TYR 58 3.096 0.321 7.733 382 HE2 TYR 58 1HE TYR 58 5.982 0.043 4.516 383 HH TYR 58 HH TYR 58 4.841 -1.497 7.347 384 H GLU 59 H GLU 59 2.491 5.243 6.110 385 HA GLU 59 HA GLU 59 4.849 6.138 4.525 386 HB3 GLU 59 2HB GLU 59 3.206 7.983 4.747 387 HG3 GLU 59 2HG GLU 59 3.782 7.694 7.742 388 H ASN 60 H ASN 60 6.714 6.280 5.680 389 HA ASN 60 HA ASN 60 8.326 5.514 6.925 390 HB3 ASN 60 2HB ASN 60 7.088 5.917 9.573 391 HD21 ASN 60 1HD2 ASN 60 9.175 5.425 10.543 392 HD22 ASN 60 2HD2 ASN 60 10.633 6.172 9.952 393 H GLU 61 H GLU 61 5.536 4.306 8.752 394 HA GLU 61 HA GLU 61 6.101 1.530 8.445 395 HB3 GLU 61 2HB GLU 61 8.058 2.041 9.774 396 HG3 GLU 61 2HG GLU 61 6.316 2.430 12.134 397 H ASP 62 H ASP 62 3.761 3.672 8.482 398 HA ASP 62 HA ASP 62 1.912 1.958 10.005 399 HB3 ASP 62 2HB ASP 62 2.224 4.962 10.337 400 H LEU 63 H LEU 63 -0.292 2.307 9.294 401 HA LEU 63 HA LEU 63 -0.750 3.952 6.929 402 HB3 LEU 63 2HB LEU 63 -1.282 0.944 6.907 403 HG LEU 63 HG LEU 63 -3.286 2.155 6.043 404 HD11 LEU 63 1HD1 LEU 63 -1.422 3.291 3.945 405 HD12 LEU 63 2HD1 LEU 63 -2.131 4.275 5.248 406 HD13 LEU 63 3HD1 LEU 63 -3.176 3.512 4.052 407 HD21 LEU 63 3HD2 LEU 63 -3.398 1.233 3.839 408 HD22 LEU 63 1HD2 LEU 63 -2.667 0.030 4.955 409 HD23 LEU 63 2HD2 LEU 63 -1.656 0.948 3.795 410 H VAL 64 H VAL 64 -2.629 4.866 7.172 411 HA VAL 64 HA VAL 64 -4.775 3.563 8.822 412 HB VAL 64 HB VAL 64 -4.115 6.474 9.330 413 HG11 VAL 64 1HG1 VAL 64 -5.598 4.381 10.978 414 HG12 VAL 64 2HG1 VAL 64 -5.355 6.085 11.417 415 HG13 VAL 64 3HG1 VAL 64 -6.345 5.676 10.017 416 HG21 VAL 64 3HG2 VAL 64 -2.959 5.845 11.432 417 HG22 VAL 64 1HG2 VAL 64 -2.998 4.134 10.948 418 HG23 VAL 64 2HG2 VAL 64 -2.061 5.325 10.021 419 H TYR 65 H TYR 65 -6.808 3.781 7.894 420 HA TYR 65 HA TYR 65 -7.556 6.185 6.509 421 HB3 TYR 65 2HB TYR 65 -8.208 4.447 4.430 422 HD1 TYR 65 2HD TYR 65 -8.190 7.374 4.643 423 HD2 TYR 65 1HD TYR 65 -5.002 4.634 3.696 424 HE1 TYR 65 2HE TYR 65 -7.011 9.172 3.446 425 HE2 TYR 65 1HE TYR 65 -3.874 6.338 2.451 426 HH TYR 65 HH TYR 65 -5.179 9.723 2.098 427 H GLU 66 H GLU 66 -9.654 5.681 5.155 428 HA GLU 66 HA GLU 66 -11.400 3.780 6.302 429 HB3 GLU 66 2HB GLU 66 -13.321 5.407 6.397 430 HG3 GLU 66 2HG GLU 66 -11.389 6.232 8.568 431 H GLU 67 H GLU 67 -12.201 6.605 4.270 432 HA GLU 67 HA GLU 67 -12.485 4.711 2.018 433 HB3 GLU 67 2HB GLU 67 -14.314 6.762 3.219 434 HG3 GLU 67 2HG GLU 67 -15.048 4.875 0.960 435 H GLU 68 H GLU 68 -12.680 5.634 -0.133 436 HA GLU 68 HA GLU 68 -10.952 7.906 -0.638 437 HB3 GLU 68 2HB GLU 68 -12.874 6.504 -2.559 438 HG3 GLU 68 2HG GLU 68 -10.423 8.304 -2.824 439 H VAL 69 H VAL 69 -11.816 9.676 0.463 440 HA VAL 69 HA VAL 69 -14.507 10.616 -0.411 441 HB VAL 69 HB VAL 69 -14.591 11.770 1.831 442 HG11 VAL 69 1HG1 VAL 69 -14.659 8.726 1.782 443 HG12 VAL 69 2HG1 VAL 69 -15.483 9.776 2.960 444 HG13 VAL 69 3HG1 VAL 69 -15.962 9.810 1.258 445 HG21 VAL 69 3HG2 VAL 69 -12.129 11.319 2.454 446 HG22 VAL 69 1HG2 VAL 69 -13.357 10.975 3.673 447 HG23 VAL 69 2HG2 VAL 69 -12.604 9.659 2.741 448 H LEU 70 H LEU 70 -13.951 11.912 -2.057 449 HA LEU 70 HA LEU 70 -12.781 14.420 -1.350 450 HB3 LEU 70 2HB LEU 70 -10.797 13.219 -2.250 451 HG LEU 70 HG LEU 70 -12.142 13.325 -4.987 452 HD11 LEU 70 1HD1 LEU 70 -9.427 12.310 -4.032 453 HD12 LEU 70 2HD1 LEU 70 -9.709 13.869 -4.826 454 HD13 LEU 70 3HD1 LEU 70 -10.001 12.363 -5.711 455 HD21 LEU 70 3HD2 LEU 70 -13.009 11.291 -3.945 456 HD22 LEU 70 1HD2 LEU 70 -11.400 10.883 -3.313 457 HD23 LEU 70 2HD2 LEU 70 -11.739 10.831 -5.064 Start of MODEL 10 1 H1 GLY 1 H GLY 1 25.347 5.645 -2.469 2 HA2 GLY 1 1HA GLY 1 26.896 6.692 -0.802 3 HA3 GLY 1 2HA GLY 1 25.421 7.257 0.021 4 H ASP 2 H ASP 2 25.178 5.974 1.837 5 HA ASP 2 HA ASP 2 25.138 4.228 3.208 6 HB3 ASP 2 2HB ASP 2 24.002 2.194 2.500 7 H ASP 3 H ASP 3 25.774 1.370 2.559 8 HA ASP 3 HA ASP 3 28.563 1.559 1.570 9 HB3 ASP 3 2HB ASP 3 29.150 -0.229 3.299 10 H ARG 4 H ARG 4 26.543 -1.010 2.961 11 HA ARG 4 HA ARG 4 27.012 -2.610 0.480 12 HB3 ARG 4 2HB ARG 4 27.363 -3.671 3.291 13 HG3 ARG 4 2HG ARG 4 28.538 -4.466 0.583 14 HD3 ARG 4 2HD ARG 4 28.525 -6.008 3.200 15 HE ARG 4 HE ARG 4 29.347 -6.729 0.634 16 HH11 ARG 4 1HH1 ARG 4 30.618 -6.734 3.945 17 HH12 ARG 4 2HH1 ARG 4 31.821 -7.933 3.665 18 HH21 ARG 4 1HH2 ARG 4 30.891 -8.486 0.271 19 HH22 ARG 4 2HH2 ARG 4 31.964 -8.944 1.511 20 H LYS 5 H LYS 5 24.685 -1.717 0.191 21 HA LYS 5 HA LYS 5 22.747 -3.545 1.235 22 HB3 LYS 5 2HB LYS 5 21.839 -0.736 1.619 23 HG3 LYS 5 2HG LYS 5 20.661 -2.841 2.466 24 HD3 LYS 5 2HD LYS 5 22.911 -2.653 4.531 25 HE3 LYS 5 2HE LYS 5 20.524 -4.539 4.369 26 HZ1 LYS 5 3HZ LYS 5 22.470 -4.088 6.553 27 HZ2 LYS 5 1HZ LYS 5 22.478 -5.404 5.542 28 HZ3 LYS 5 2HZ LYS 5 21.197 -5.134 6.549 29 H LEU 6 H LEU 6 20.527 -2.997 0.362 30 HA LEU 6 HA LEU 6 20.420 -1.288 -1.935 31 HB3 LEU 6 2HB LEU 6 20.616 -3.262 -3.108 32 HG LEU 6 HG LEU 6 20.348 -5.087 -1.652 33 HD11 LEU 6 1HD1 LEU 6 17.630 -3.949 -0.973 34 HD12 LEU 6 2HD1 LEU 6 19.017 -4.125 0.092 35 HD13 LEU 6 3HD1 LEU 6 18.169 -5.577 -0.466 36 HD21 LEU 6 3HD2 LEU 6 17.861 -4.905 -3.379 37 HD22 LEU 6 1HD2 LEU 6 18.504 -6.401 -2.681 38 HD23 LEU 6 2HD2 LEU 6 19.447 -5.484 -3.895 39 H MET 7 H MET 7 17.959 -0.969 -2.447 40 HA MET 7 HA MET 7 16.620 -0.377 0.126 41 HB3 MET 7 2HB MET 7 16.977 1.557 -1.360 42 HG3 MET 7 2HG MET 7 15.447 -0.132 -3.377 43 HE1 MET 7 3HE MET 7 13.602 2.559 -1.924 44 HE2 MET 7 1HE MET 7 12.710 2.478 -3.459 45 HE3 MET 7 2HE MET 7 13.279 0.996 -2.686 46 H LYS 8 H LYS 8 14.217 -0.618 -0.022 47 HA LYS 8 HA LYS 8 13.511 -3.347 -0.691 48 HB3 LYS 8 2HB LYS 8 11.312 -2.864 0.130 49 HG3 LYS 8 2HG LYS 8 13.085 -1.008 1.705 50 HD3 LYS 8 2HD LYS 8 10.961 -2.894 2.732 51 HE3 LYS 8 2HE LYS 8 12.382 -0.459 3.925 52 HZ1 LYS 8 3HZ LYS 8 10.636 -2.414 5.272 53 HZ2 LYS 8 1HZ LYS 8 10.111 -0.987 4.705 54 HZ3 LYS 8 2HZ LYS 8 11.234 -1.002 5.914 55 H THR 9 H THR 9 11.237 -3.667 -1.972 56 HA THR 9 HA THR 9 11.468 -2.220 -4.559 57 HB THR 9 HB THR 9 11.117 -4.380 -5.695 58 HG1 THR 9 1HG THR 9 11.877 -5.671 -3.314 59 HG21 THR 9 3HG2 THR 9 13.599 -4.293 -3.940 60 HG22 THR 9 1HG2 THR 9 13.391 -3.496 -5.511 61 HG23 THR 9 2HG2 THR 9 13.379 -5.271 -5.405 62 H GLN 10 H GLN 10 9.545 -2.854 -5.991 63 HA GLN 10 HA GLN 10 7.130 -1.919 -4.906 64 HB3 GLN 10 2HB GLN 10 7.262 -3.814 -7.263 65 HG3 GLN 10 2HG GLN 10 6.246 -1.693 -8.363 66 HE21 GLN 10 1HE2 GLN 10 3.852 -1.266 -6.448 67 HE22 GLN 10 2HE2 GLN 10 2.920 -2.751 -6.559 68 H GLU 11 H GLU 11 8.545 -5.131 -5.081 69 HA GLU 11 HA GLU 11 6.366 -6.818 -4.636 70 HB3 GLU 11 2HB GLU 11 9.153 -7.256 -3.478 71 HG3 GLU 11 2HG GLU 11 7.366 -8.998 -5.185 72 H GLU 12 H GLU 12 8.680 -5.390 -2.264 73 HA GLU 12 HA GLU 12 7.444 -6.421 0.090 74 HB3 GLU 12 2HB GLU 12 8.607 -4.287 1.085 75 HG3 GLU 12 2HG GLU 12 10.795 -5.776 -0.193 76 H LEU 13 H LEU 13 7.263 -3.152 -1.357 77 HA LEU 13 HA LEU 13 5.456 -2.100 0.506 78 HB3 LEU 13 2HB LEU 13 4.906 -0.434 -1.463 79 HG LEU 13 HG LEU 13 6.592 0.583 -0.425 80 HD11 LEU 13 1HD1 LEU 13 8.850 -0.155 0.039 81 HD12 LEU 13 2HD1 LEU 13 8.550 -1.711 -0.727 82 HD13 LEU 13 3HD1 LEU 13 7.679 -1.242 0.758 83 HD21 LEU 13 3HD2 LEU 13 6.837 0.834 -2.913 84 HD22 LEU 13 1HD2 LEU 13 8.054 -0.453 -2.899 85 HD23 LEU 13 2HD2 LEU 13 8.369 1.077 -2.076 86 H THR 14 H THR 14 4.736 -3.951 -2.462 87 HA THR 14 HA THR 14 1.870 -3.601 -2.184 88 HB THR 14 HB THR 14 3.390 -5.667 -3.822 89 HG1 THR 14 1HG THR 14 4.044 -3.783 -4.544 90 HG21 THR 14 3HG2 THR 14 0.585 -4.492 -4.126 91 HG22 THR 14 1HG2 THR 14 0.961 -6.145 -3.581 92 HG23 THR 14 2HG2 THR 14 1.370 -5.660 -5.228 93 H GLU 15 H GLU 15 4.171 -6.355 -1.325 94 HA GLU 15 HA GLU 15 2.034 -8.068 -0.481 95 HB3 GLU 15 2HB GLU 15 3.971 -9.135 0.914 96 HG3 GLU 15 2HG GLU 15 5.007 -10.188 -1.046 97 H ILE 16 H ILE 16 3.943 -5.591 1.251 98 HA ILE 16 HA ILE 16 2.964 -6.087 3.857 99 HB ILE 16 HB ILE 16 3.706 -3.462 2.480 100 HG13 ILE 16 2HG1 ILE 16 5.484 -5.405 2.835 101 HG21 ILE 16 1HG2 ILE 16 4.000 -2.558 4.810 102 HG22 ILE 16 2HG2 ILE 16 2.319 -2.962 4.466 103 HG23 ILE 16 3HG2 ILE 16 3.301 -4.059 5.453 104 HD11 ILE 16 3HD1 ILE 16 6.133 -2.689 4.026 105 HD12 ILE 16 1HD1 ILE 16 7.270 -3.881 3.372 106 HD13 ILE 16 2HD1 ILE 16 6.152 -3.041 2.287 107 H VAL 17 H VAL 17 1.707 -3.728 1.439 108 HA VAL 17 HA VAL 17 -0.634 -3.107 2.861 109 HB VAL 17 HB VAL 17 0.245 -2.859 -0.038 110 HG11 VAL 17 1HG1 VAL 17 -1.685 -1.208 -0.319 111 HG12 VAL 17 2HG1 VAL 17 -2.068 -2.927 -0.400 112 HG13 VAL 17 3HG1 VAL 17 -2.446 -2.030 1.064 113 HG21 VAL 17 3HG2 VAL 17 0.190 -0.392 0.708 114 HG22 VAL 17 1HG2 VAL 17 -0.010 -0.976 2.349 115 HG23 VAL 17 2HG2 VAL 17 1.435 -1.413 1.443 116 H ARG 18 H ARG 18 -0.105 -5.678 0.485 117 HA ARG 18 HA ARG 18 -2.776 -6.599 0.244 118 HB3 ARG 18 2HB ARG 18 -0.212 -8.261 0.287 119 HG3 ARG 18 2HG ARG 18 -2.623 -8.492 -1.545 120 HD3 ARG 18 2HD ARG 18 -0.285 -10.352 -0.870 121 HE ARG 18 HE ARG 18 -2.669 -11.005 -2.068 122 HH11 ARG 18 1HH1 ARG 18 0.798 -11.265 -2.759 123 HH12 ARG 18 2HH1 ARG 18 0.612 -12.716 -3.683 124 HH21 ARG 18 1HH2 ARG 18 -2.963 -12.625 -3.567 125 HH22 ARG 18 2HH2 ARG 18 -1.639 -13.387 -4.379 126 H ASP 19 H ASP 19 -0.132 -7.833 2.369 127 HA ASP 19 HA ASP 19 -1.720 -9.741 3.655 128 HB3 ASP 19 2HB ASP 19 0.652 -8.371 4.954 129 H HIS 20 H HIS 20 -1.087 -6.371 4.340 130 HA HIS 20 HA HIS 20 -2.297 -6.324 6.987 131 HB3 HIS 20 2HB HIS 20 -2.349 -3.700 6.117 132 HD1 HIS 20 1HD HIS 20 -1.668 -2.703 8.276 133 HD2 HIS 20 2HD HIS 20 0.752 -5.933 7.066 134 HE1 HIS 20 1HE HIS 20 0.223 -2.859 9.967 135 H PHE 21 H PHE 21 -3.793 -6.408 3.911 136 HA PHE 21 HA PHE 21 -6.343 -5.605 5.219 137 HB3 PHE 21 2HB PHE 21 -6.425 -5.880 2.321 138 HD1 PHE 21 1HD PHE 21 -8.650 -5.584 4.026 139 HD2 PHE 21 2HD PHE 21 -5.922 -2.571 2.653 140 HE1 PHE 21 1HE PHE 21 -10.365 -3.828 4.502 141 HE2 PHE 21 2HE PHE 21 -7.642 -0.832 3.061 142 HZ PHE 21 HZ PHE 21 -9.848 -1.442 4.030 143 H SER 22 H SER 22 -4.562 -8.297 3.972 144 HA SER 22 HA SER 22 -6.588 -9.787 2.793 145 HB3 SER 22 2HB SER 22 -4.139 -10.183 2.678 146 HG SER 22 HG SER 22 -3.637 -10.088 4.933 147 H ASP 23 H ASP 23 -6.145 -9.133 6.175 148 HA ASP 23 HA ASP 23 -7.903 -11.384 7.051 149 HB3 ASP 23 2HB ASP 23 -5.834 -9.740 8.531 150 H MET 24 H MET 24 -8.236 -8.343 5.982 151 HA MET 24 HA MET 24 -10.274 -7.599 8.000 152 HB3 MET 24 2HB MET 24 -9.973 -5.352 7.633 153 HG3 MET 24 2HG MET 24 -7.117 -6.267 7.210 154 HE1 MET 24 3HE MET 24 -6.751 -3.698 6.190 155 HE2 MET 24 1HE MET 24 -8.431 -3.203 6.525 156 HE3 MET 24 2HE MET 24 -7.077 -2.236 7.131 157 H GLY 25 H GLY 25 -10.209 -9.213 5.169 158 HA2 GLY 25 1HA GLY 25 -12.678 -9.633 4.655 159 HA3 GLY 25 2HA GLY 25 -12.705 -7.965 4.093 160 H GLU 26 H GLU 26 -12.841 -8.082 1.879 161 HA GLU 26 HA GLU 26 -10.738 -9.504 0.359 162 HB3 GLU 26 2HB GLU 26 -12.668 -9.807 -1.372 163 HG3 GLU 26 2HG GLU 26 -12.647 -11.789 0.906 164 H ILE 27 H ILE 27 -9.663 -7.854 -0.486 165 HA ILE 27 HA ILE 27 -10.918 -5.478 -1.592 166 HB ILE 27 HB ILE 27 -8.296 -6.615 -2.543 167 HG13 ILE 27 2HG1 ILE 27 -8.795 -5.825 0.270 168 HG21 ILE 27 1HG2 ILE 27 -9.118 -4.667 -3.676 169 HG22 ILE 27 2HG2 ILE 27 -9.374 -3.810 -2.148 170 HG23 ILE 27 3HG2 ILE 27 -7.725 -4.190 -2.710 171 HD11 ILE 27 3HD1 ILE 27 -6.668 -6.988 0.571 172 HD12 ILE 27 1HD1 ILE 27 -7.561 -7.872 -0.646 173 HD13 ILE 27 2HD1 ILE 27 -6.252 -6.765 -1.129 174 H ALA 28 H ALA 28 -11.497 -5.181 -3.694 175 HA ALA 28 HA ALA 28 -11.830 -7.514 -5.492 176 HB1 ALA 28 1HB ALA 28 -13.783 -5.981 -5.212 177 HB2 ALA 28 2HB ALA 28 -12.830 -4.623 -5.796 178 HB3 ALA 28 3HB ALA 28 -13.169 -6.004 -6.867 179 H THR 29 H THR 29 -10.830 -4.070 -5.703 180 HA THR 29 HA THR 29 -8.739 -4.847 -7.697 181 HB THR 29 HB THR 29 -10.153 -2.186 -7.375 182 HG1 THR 29 1HG THR 29 -11.539 -3.631 -8.363 183 HG21 THR 29 3HG2 THR 29 -9.006 -1.570 -9.460 184 HG22 THR 29 1HG2 THR 29 -8.133 -3.122 -9.444 185 HG23 THR 29 2HG2 THR 29 -7.847 -1.902 -8.186 186 H LEU 30 H LEU 30 -6.779 -4.811 -6.977 187 HA LEU 30 HA LEU 30 -5.873 -2.984 -4.816 188 HB3 LEU 30 2HB LEU 30 -4.992 -5.851 -5.427 189 HG LEU 30 HG LEU 30 -4.009 -5.882 -3.193 190 HD11 LEU 30 1HD1 LEU 30 -2.604 -3.685 -4.745 191 HD12 LEU 30 2HD1 LEU 30 -2.528 -5.408 -5.156 192 HD13 LEU 30 3HD1 LEU 30 -1.923 -4.838 -3.580 193 HD21 LEU 30 3HD2 LEU 30 -4.310 -2.855 -3.121 194 HD22 LEU 30 1HD2 LEU 30 -3.539 -3.886 -1.910 195 HD23 LEU 30 2HD2 LEU 30 -5.266 -4.035 -2.168 196 H TYR 31 H TYR 31 -4.552 -1.446 -5.855 197 HA TYR 31 HA TYR 31 -2.470 -2.349 -7.607 198 HB3 TYR 31 2HB TYR 31 -4.588 -1.966 -9.108 199 HD1 TYR 31 1HD TYR 31 -5.469 0.195 -7.067 200 HD2 TYR 31 2HD TYR 31 -3.489 0.512 -10.891 201 HE1 TYR 31 1HE TYR 31 -6.497 2.311 -7.402 202 HE2 TYR 31 2HE TYR 31 -4.535 2.734 -11.235 203 HH TYR 31 HH TYR 31 -6.932 4.056 -8.886 204 H VAL 32 H VAL 32 -1.384 -0.059 -8.409 205 HA VAL 32 HA VAL 32 -1.336 1.738 -6.038 206 HB VAL 32 HB VAL 32 1.037 0.892 -7.739 207 HG11 VAL 32 1HG1 VAL 32 1.025 2.189 -5.004 208 HG12 VAL 32 2HG1 VAL 32 2.452 1.709 -5.970 209 HG13 VAL 32 3HG1 VAL 32 1.402 2.958 -6.557 210 HG21 VAL 32 3HG2 VAL 32 1.758 -0.555 -5.805 211 HG22 VAL 32 1HG2 VAL 32 0.191 -0.270 -5.024 212 HG23 VAL 32 2HG2 VAL 32 0.300 -1.156 -6.564 213 H GLN 33 H GLN 33 -1.355 3.916 -6.607 214 HA GLN 33 HA GLN 33 -1.415 4.558 -9.539 215 HB3 GLN 33 2HB GLN 33 -2.128 6.821 -8.754 216 HG3 GLN 33 2HG GLN 33 -4.107 4.839 -7.652 217 HE21 GLN 33 1HE2 GLN 33 -5.819 6.398 -7.271 218 HE22 GLN 33 2HE2 GLN 33 -6.238 7.594 -8.465 219 H VAL 34 H VAL 34 0.845 4.396 -7.057 220 HA VAL 34 HA VAL 34 2.766 6.200 -8.344 221 HB VAL 34 HB VAL 34 3.030 7.418 -6.090 222 HG11 VAL 34 1HG1 VAL 34 0.465 8.157 -7.536 223 HG12 VAL 34 2HG1 VAL 34 1.605 9.209 -6.686 224 HG13 VAL 34 3HG1 VAL 34 2.081 8.445 -8.208 225 HG21 VAL 34 3HG2 VAL 34 1.395 6.002 -4.753 226 HG22 VAL 34 1HG2 VAL 34 1.093 7.735 -4.689 227 HG23 VAL 34 2HG2 VAL 34 0.068 6.695 -5.698 228 H TYR 35 H TYR 35 3.925 4.075 -8.549 229 HA TYR 35 HA TYR 35 4.989 2.836 -6.111 230 HB3 TYR 35 2HB TYR 35 5.682 2.715 -9.032 231 HD1 TYR 35 1HD TYR 35 6.774 1.489 -5.610 232 HD2 TYR 35 2HD TYR 35 7.435 1.309 -9.884 233 HE1 TYR 35 1HE TYR 35 8.876 0.312 -5.228 234 HE2 TYR 35 2HE TYR 35 9.509 0.036 -9.500 235 HH TYR 35 HH TYR 35 10.941 -0.368 -6.287 236 H GLU 36 H GLU 36 6.170 3.739 -4.751 237 HA GLU 36 HA GLU 36 8.020 5.932 -5.470 238 HB3 GLU 36 2HB GLU 36 8.650 4.941 -2.909 239 HG3 GLU 36 2HG GLU 36 8.540 7.293 -3.496 240 H SER 37 H SER 37 9.326 4.960 -7.122 241 HA SER 37 HA SER 37 10.409 2.340 -6.771 242 HB3 SER 37 2HB SER 37 10.071 2.983 -8.983 243 HG SER 37 HG SER 37 11.349 4.964 -9.705 244 H SER 38 H SER 38 11.449 5.468 -5.700 245 HA SER 38 HA SER 38 14.179 4.455 -5.078 246 HB3 SER 38 2HB SER 38 14.753 6.813 -4.864 247 HG SER 38 HG SER 38 13.096 6.832 -7.140 248 H LEU 39 H LEU 39 11.173 4.966 -3.470 249 HA LEU 39 HA LEU 39 12.446 5.199 -0.846 250 HB3 LEU 39 2HB LEU 39 10.248 6.290 -0.204 251 HG LEU 39 HG LEU 39 12.444 7.452 -0.617 252 HD11 LEU 39 1HD1 LEU 39 11.135 8.123 -3.241 253 HD12 LEU 39 2HD1 LEU 39 12.807 7.615 -2.845 254 HD13 LEU 39 3HD1 LEU 39 12.304 9.231 -2.458 255 HD21 LEU 39 3HD2 LEU 39 9.760 8.891 -0.915 256 HD22 LEU 39 1HD2 LEU 39 11.275 9.709 -0.476 257 HD23 LEU 39 2HD2 LEU 39 10.607 8.489 0.604 258 H GLU 40 H GLU 40 10.026 4.546 0.619 259 HA GLU 40 HA GLU 40 9.440 1.840 -0.384 260 HB3 GLU 40 2HB GLU 40 9.669 0.908 1.765 261 HG3 GLU 40 2HG GLU 40 11.902 1.360 0.455 262 H SER 41 H SER 41 7.350 3.191 -1.235 263 HA SER 41 HA SER 41 5.540 3.871 1.075 264 HB3 SER 41 2HB SER 41 5.485 5.502 -1.411 265 HG SER 41 HG SER 41 5.697 6.123 1.349 266 H LEU 42 H LEU 42 3.159 3.888 0.234 267 HA LEU 42 HA LEU 42 2.712 2.552 -2.293 268 HB3 LEU 42 2HB LEU 42 1.800 1.064 0.193 269 HG LEU 42 HG LEU 42 1.416 -0.836 -1.249 270 HD11 LEU 42 1HD1 LEU 42 0.055 1.358 -2.820 271 HD12 LEU 42 2HD1 LEU 42 -0.468 0.890 -1.188 272 HD13 LEU 42 3HD1 LEU 42 -0.486 -0.287 -2.503 273 HD21 LEU 42 3HD2 LEU 42 1.773 -0.995 -3.530 274 HD22 LEU 42 1HD2 LEU 42 3.264 -0.483 -2.770 275 HD23 LEU 42 2HD2 LEU 42 2.283 0.718 -3.648 276 H VAL 43 H VAL 43 1.059 3.833 -3.073 277 HA VAL 43 HA VAL 43 -1.253 4.312 -1.329 278 HB VAL 43 HB VAL 43 -0.005 6.541 -2.954 279 HG11 VAL 43 1HG1 VAL 43 -2.123 6.461 -0.771 280 HG12 VAL 43 2HG1 VAL 43 -1.364 7.965 -1.313 281 HG13 VAL 43 3HG1 VAL 43 -2.293 7.012 -2.456 282 HG21 VAL 43 3HG2 VAL 43 1.721 6.141 -1.362 283 HG22 VAL 43 1HG2 VAL 43 0.822 7.548 -0.813 284 HG23 VAL 43 2HG2 VAL 43 0.550 5.970 -0.042 285 H GLY 44 H GLY 44 -3.186 4.938 -2.608 286 HA2 GLY 44 1HA GLY 44 -3.713 5.308 -5.140 287 HA3 GLY 44 2HA GLY 44 -3.195 3.633 -5.278 288 H GLY 45 H GLY 45 -4.948 4.375 -2.296 289 HA2 GLY 45 1HA GLY 45 -6.840 3.471 -1.494 290 HA3 GLY 45 2HA GLY 45 -7.545 3.750 -3.090 291 H VAL 46 H VAL 46 -8.533 1.744 -1.617 292 HA VAL 46 HA VAL 46 -7.929 -0.520 -3.344 293 HB VAL 46 HB VAL 46 -8.431 -2.010 -1.277 294 HG11 VAL 46 1HG1 VAL 46 -6.320 -1.961 -2.478 295 HG12 VAL 46 2HG1 VAL 46 -5.709 -0.692 -1.382 296 HG13 VAL 46 3HG1 VAL 46 -6.122 -2.301 -0.744 297 HG21 VAL 46 3HG2 VAL 46 -9.006 -0.284 0.374 298 HG22 VAL 46 1HG2 VAL 46 -7.621 -1.268 0.852 299 HG23 VAL 46 2HG2 VAL 46 -7.357 0.376 0.266 300 H ILE 47 H ILE 47 -9.703 -1.530 -4.020 301 HA ILE 47 HA ILE 47 -12.318 -0.315 -3.238 302 HB ILE 47 HB ILE 47 -11.260 -1.582 -5.781 303 HG13 ILE 47 2HG1 ILE 47 -10.542 0.845 -5.090 304 HG21 ILE 47 1HG2 ILE 47 -13.977 -0.292 -5.380 305 HG22 ILE 47 2HG2 ILE 47 -13.369 -1.001 -6.877 306 HG23 ILE 47 3HG2 ILE 47 -13.700 -2.045 -5.502 307 HD11 ILE 47 3HD1 ILE 47 -11.760 0.282 -7.786 308 HD12 ILE 47 1HD1 ILE 47 -10.733 1.679 -7.382 309 HD13 ILE 47 2HD1 ILE 47 -10.070 0.032 -7.263 310 H PHE 48 H PHE 48 -13.352 -1.674 -1.996 311 HA PHE 48 HA PHE 48 -12.831 -4.587 -1.897 312 HB3 PHE 48 2HB PHE 48 -15.201 -4.182 -0.512 313 HD1 PHE 48 1HD PHE 48 -11.506 -3.475 -0.109 314 HD2 PHE 48 2HD PHE 48 -15.104 -5.115 1.628 315 HE1 PHE 48 1HE PHE 48 -10.172 -4.577 1.644 316 HE2 PHE 48 2HE PHE 48 -13.768 -6.184 3.397 317 HZ PHE 48 HZ PHE 48 -11.275 -5.960 3.392 318 H GLU 49 H GLU 49 -14.612 -6.168 -2.323 319 HA GLU 49 HA GLU 49 -16.265 -5.640 -4.664 320 HB3 GLU 49 2HB GLU 49 -17.243 -7.932 -3.372 321 HG3 GLU 49 2HG GLU 49 -15.743 -9.227 -4.918 322 H ASP 50 H ASP 50 -16.592 -5.648 -1.172 323 HA ASP 50 HA ASP 50 -19.492 -5.482 -1.062 324 HB3 ASP 50 2HB ASP 50 -17.388 -5.232 1.084 325 H GLY 51 H GLY 51 -18.052 -3.404 -2.475 326 HA2 GLY 51 1HA GLY 51 -18.108 -1.258 -2.925 327 HA3 GLY 51 2HA GLY 51 -19.540 -1.147 -1.903 328 H ARG 52 H ARG 52 -15.997 -1.500 -1.141 329 HA ARG 52 HA ARG 52 -16.299 0.893 0.563 330 HB3 ARG 52 2HB ARG 52 -15.292 0.030 2.339 331 HG3 ARG 52 2HG ARG 52 -16.982 -2.235 1.328 332 HD3 ARG 52 2HD ARG 52 -16.255 -1.515 4.180 333 HE ARG 52 HE ARG 52 -17.919 -3.845 3.295 334 HH11 ARG 52 1HH1 ARG 52 -17.956 -0.667 4.921 335 HH12 ARG 52 2HH1 ARG 52 -19.592 -0.896 5.469 336 HH21 ARG 52 1HH2 ARG 52 -19.896 -4.073 3.941 337 HH22 ARG 52 2HH2 ARG 52 -20.780 -2.951 4.937 338 H HIS 53 H HIS 53 -15.267 2.288 -0.859 339 HA HIS 53 HA HIS 53 -12.574 1.496 -1.788 340 HB3 HIS 53 2HB HIS 53 -13.909 4.139 -2.387 341 HD1 HIS 53 1HD HIS 53 -13.017 4.612 -5.149 342 HD2 HIS 53 2HD HIS 53 -10.533 2.634 -2.374 343 HE1 HIS 53 1HE HIS 53 -10.666 4.659 -6.098 344 H TYR 54 H TYR 54 -11.070 1.701 -0.199 345 HA TYR 54 HA TYR 54 -11.174 4.195 1.479 346 HB3 TYR 54 2HB TYR 54 -10.032 2.961 3.211 347 HD1 TYR 54 1HD TYR 54 -12.316 4.140 3.441 348 HD2 TYR 54 2HD TYR 54 -11.800 -0.061 2.951 349 HE1 TYR 54 1HE TYR 54 -14.450 3.854 4.534 350 HE2 TYR 54 2HE TYR 54 -13.967 -0.455 4.104 351 HH TYR 54 HH TYR 54 -16.089 2.295 5.083 352 H THR 55 H THR 55 -9.477 5.567 1.279 353 HA THR 55 HA THR 55 -7.278 5.181 -0.567 354 HB THR 55 HB THR 55 -6.522 7.277 0.746 355 HG1 THR 55 1HG THR 55 -8.119 8.307 1.863 356 HG21 THR 55 3HG2 THR 55 -9.144 7.205 -0.781 357 HG22 THR 55 1HG2 THR 55 -7.526 7.329 -1.504 358 HG23 THR 55 2HG2 THR 55 -8.178 8.660 -0.533 359 H PHE 56 H PHE 56 -5.617 3.712 -0.096 360 HA PHE 56 HA PHE 56 -4.936 3.304 2.752 361 HB3 PHE 56 2HB PHE 56 -3.765 1.564 0.601 362 HD1 PHE 56 2HD PHE 56 -6.104 0.796 3.478 363 HD2 PHE 56 1HD PHE 56 -2.172 0.306 1.821 364 HE1 PHE 56 2HE PHE 56 -5.661 -0.891 5.157 365 HE2 PHE 56 1HE PHE 56 -1.751 -1.470 3.521 366 HZ PHE 56 HZ PHE 56 -3.480 -2.074 5.181 367 H VAL 57 H VAL 57 -3.184 4.451 3.370 368 HA VAL 57 HA VAL 57 -1.160 5.086 1.328 369 HB VAL 57 HB VAL 57 -2.353 7.098 1.496 370 HG11 VAL 57 1HG1 VAL 57 -2.203 6.947 4.509 371 HG12 VAL 57 2HG1 VAL 57 -2.763 8.355 3.590 372 HG13 VAL 57 3HG1 VAL 57 -3.682 6.857 3.499 373 HG21 VAL 57 3HG2 VAL 57 0.027 7.310 3.385 374 HG22 VAL 57 1HG2 VAL 57 0.136 7.286 1.620 375 HG23 VAL 57 2HG2 VAL 57 -0.656 8.631 2.431 376 H TYR 58 H TYR 58 0.507 4.080 1.860 377 HA TYR 58 HA TYR 58 1.285 3.627 4.692 378 HB3 TYR 58 2HB TYR 58 2.477 2.525 2.119 379 HD1 TYR 58 2HD TYR 58 2.331 2.183 5.890 380 HD2 TYR 58 1HD TYR 58 4.154 0.833 2.216 381 HE1 TYR 58 2HE TYR 58 4.040 1.022 7.188 382 HE2 TYR 58 1HE TYR 58 5.794 -0.453 3.520 383 HH TYR 58 HH TYR 58 5.835 -0.433 7.132 384 H GLU 59 H GLU 59 2.869 4.876 5.516 385 HA GLU 59 HA GLU 59 4.424 6.710 3.771 386 HB3 GLU 59 2HB GLU 59 2.945 7.835 5.475 387 HG3 GLU 59 2HG GLU 59 3.840 5.931 7.272 388 H ASN 60 H ASN 60 6.539 7.109 5.822 389 HA ASN 60 HA ASN 60 8.300 5.275 4.791 390 HB3 ASN 60 2HB ASN 60 8.526 6.454 7.576 391 HD21 ASN 60 1HD2 ASN 60 9.919 4.005 5.812 392 HD22 ASN 60 2HD2 ASN 60 11.616 4.365 6.041 393 H GLU 61 H GLU 61 6.512 4.944 7.849 394 HA GLU 61 HA GLU 61 6.850 2.014 7.763 395 HB3 GLU 61 2HB GLU 61 7.769 1.857 9.987 396 HG3 GLU 61 2HG GLU 61 9.514 3.845 8.478 397 H ASP 62 H ASP 62 4.589 4.275 7.792 398 HA ASP 62 HA ASP 62 2.932 3.016 9.930 399 HB3 ASP 62 2HB ASP 62 2.534 5.935 9.505 400 H LEU 63 H LEU 63 0.578 3.236 9.625 401 HA LEU 63 HA LEU 63 -0.105 3.443 6.735 402 HB3 LEU 63 2HB LEU 63 -1.532 1.363 8.257 403 HG LEU 63 HG LEU 63 0.310 1.102 5.847 404 HD11 LEU 63 1HD1 LEU 63 -0.828 -1.052 5.538 405 HD12 LEU 63 2HD1 LEU 63 -1.917 -0.704 6.901 406 HD13 LEU 63 3HD1 LEU 63 -0.177 -0.967 7.178 407 HD21 LEU 63 3HD2 LEU 63 -2.708 1.065 5.706 408 HD22 LEU 63 1HD2 LEU 63 -1.549 1.285 4.377 409 HD23 LEU 63 2HD2 LEU 63 -1.800 2.591 5.515 410 H VAL 64 H VAL 64 -1.673 4.944 6.435 411 HA VAL 64 HA VAL 64 -3.757 5.295 8.546 412 HB VAL 64 HB VAL 64 -2.399 7.497 6.943 413 HG11 VAL 64 1HG1 VAL 64 -4.157 7.730 9.420 414 HG12 VAL 64 2HG1 VAL 64 -3.516 9.037 8.410 415 HG13 VAL 64 3HG1 VAL 64 -4.756 7.964 7.780 416 HG21 VAL 64 3HG2 VAL 64 -1.883 6.727 9.860 417 HG22 VAL 64 1HG2 VAL 64 -0.711 6.637 8.544 418 HG23 VAL 64 2HG2 VAL 64 -1.302 8.203 9.073 419 H TYR 65 H TYR 65 -5.880 6.064 7.600 420 HA TYR 65 HA TYR 65 -6.191 6.034 4.719 421 HB3 TYR 65 2HB TYR 65 -6.549 3.669 4.945 422 HD1 TYR 65 1HD TYR 65 -9.086 4.923 7.413 423 HD2 TYR 65 2HD TYR 65 -5.898 2.084 6.608 424 HE1 TYR 65 1HE TYR 65 -9.570 3.699 9.564 425 HE2 TYR 65 2HE TYR 65 -6.370 0.913 8.674 426 HH TYR 65 HH TYR 65 -8.146 0.566 10.243 427 H GLU 66 H GLU 66 -8.608 6.474 4.279 428 HA GLU 66 HA GLU 66 -10.237 6.949 6.617 429 HB3 GLU 66 2HB GLU 66 -11.030 9.186 5.247 430 HG3 GLU 66 2HG GLU 66 -8.841 9.325 7.356 431 H GLU 67 H GLU 67 -10.942 8.098 3.287 432 HA GLU 67 HA GLU 67 -12.336 5.772 2.346 433 HB3 GLU 67 2HB GLU 67 -13.936 8.213 3.261 434 HG3 GLU 67 2HG GLU 67 -14.484 5.761 1.621 435 H GLU 68 H GLU 68 -12.521 5.950 0.123 436 HA GLU 68 HA GLU 68 -11.157 8.246 -1.070 437 HB3 GLU 68 2HB GLU 68 -12.284 5.991 -2.707 438 HG3 GLU 68 2HG GLU 68 -9.589 6.343 -3.312 439 H VAL 69 H VAL 69 -12.394 9.982 -1.363 440 HA VAL 69 HA VAL 69 -14.839 9.677 -2.908 441 HB VAL 69 HB VAL 69 -15.759 9.520 -0.746 442 HG11 VAL 69 1HG1 VAL 69 -14.494 12.147 0.055 443 HG12 VAL 69 2HG1 VAL 69 -15.556 11.125 1.032 444 HG13 VAL 69 3HG1 VAL 69 -13.954 10.533 0.619 445 HG21 VAL 69 3HG2 VAL 69 -16.182 12.321 -1.830 446 HG22 VAL 69 1HG2 VAL 69 -16.977 10.842 -2.411 447 HG23 VAL 69 2HG2 VAL 69 -17.270 11.424 -0.763 448 H LEU 70 H LEU 70 -14.022 10.494 -4.570 449 HA LEU 70 HA LEU 70 -13.318 13.366 -4.634 450 HB3 LEU 70 2HB LEU 70 -13.148 13.010 -7.078 451 HG LEU 70 HG LEU 70 -11.049 12.716 -5.527 452 HD11 LEU 70 1HD1 LEU 70 -11.385 10.338 -4.892 453 HD12 LEU 70 2HD1 LEU 70 -9.917 10.505 -5.856 454 HD13 LEU 70 3HD1 LEU 70 -11.400 9.865 -6.590 455 HD21 LEU 70 3HD2 LEU 70 -10.945 13.395 -7.866 456 HD22 LEU 70 1HD2 LEU 70 -11.158 11.710 -8.401 457 HD23 LEU 70 2HD2 LEU 70 -9.688 12.190 -7.533 Start of MODEL 11 1 H1 GLY 1 H GLY 1 25.960 -1.190 -11.352 2 HA2 GLY 1 1HA GLY 1 27.904 -2.681 -9.696 3 HA3 GLY 1 2HA GLY 1 28.143 -1.008 -10.247 4 H ASP 2 H ASP 2 27.496 -2.672 -7.545 5 HA ASP 2 HA ASP 2 26.721 -0.308 -6.218 6 HB3 ASP 2 2HB ASP 2 24.995 -2.681 -5.432 7 H ASP 3 H ASP 3 26.626 -1.278 -3.672 8 HA ASP 3 HA ASP 3 29.168 -2.772 -3.324 9 HB3 ASP 3 2HB ASP 3 30.038 -1.127 -1.923 10 H ARG 4 H ARG 4 26.846 -1.002 -1.264 11 HA ARG 4 HA ARG 4 25.694 -3.406 -0.075 12 HB3 ARG 4 2HB ARG 4 27.504 -1.570 1.577 13 HG3 ARG 4 2HG ARG 4 25.328 -3.472 2.321 14 HD3 ARG 4 2HD ARG 4 27.389 -4.746 2.925 15 HE ARG 4 HE ARG 4 28.069 -2.284 4.385 16 HH11 ARG 4 1HH1 ARG 4 28.562 -5.797 4.236 17 HH12 ARG 4 2HH1 ARG 4 29.656 -5.846 5.560 18 HH21 ARG 4 1HH2 ARG 4 29.697 -2.277 5.863 19 HH22 ARG 4 2HH2 ARG 4 30.449 -3.740 6.465 20 H LYS 5 H LYS 5 23.931 -2.246 -1.291 21 HA LYS 5 HA LYS 5 22.524 -0.500 0.487 22 HB3 LYS 5 2HB LYS 5 22.756 0.634 -2.286 23 HG3 LYS 5 2HG LYS 5 21.555 1.740 -0.274 24 HD3 LYS 5 2HD LYS 5 24.479 2.201 0.473 25 HE3 LYS 5 2HE LYS 5 21.989 3.795 1.047 26 HZ1 LYS 5 3HZ LYS 5 23.011 4.810 2.834 27 HZ2 LYS 5 1HZ LYS 5 24.406 3.925 2.731 28 HZ3 LYS 5 2HZ LYS 5 22.969 3.217 3.176 29 H LEU 6 H LEU 6 20.788 -1.944 0.581 30 HA LEU 6 HA LEU 6 19.568 -2.839 -1.997 31 HB3 LEU 6 2HB LEU 6 19.031 -4.952 -0.903 32 HG LEU 6 HG LEU 6 22.029 -4.443 -0.670 33 HD11 LEU 6 1HD1 LEU 6 20.455 -7.044 -0.885 34 HD12 LEU 6 2HD1 LEU 6 21.263 -6.428 0.578 35 HD13 LEU 6 3HD1 LEU 6 22.224 -6.889 -0.831 36 HD21 LEU 6 3HD2 LEU 6 20.382 -5.566 -2.982 37 HD22 LEU 6 1HD2 LEU 6 22.162 -5.600 -2.882 38 HD23 LEU 6 2HD2 LEU 6 21.318 -4.056 -2.978 39 H MET 7 H MET 7 17.731 -1.578 -2.063 40 HA MET 7 HA MET 7 16.327 -0.808 0.421 41 HB3 MET 7 2HB MET 7 14.935 0.524 -1.194 42 HG3 MET 7 2HG MET 7 16.678 2.106 -1.836 43 HE1 MET 7 3HE MET 7 14.818 1.609 0.906 44 HE2 MET 7 1HE MET 7 15.591 2.911 1.806 45 HE3 MET 7 2HE MET 7 15.244 3.124 0.085 46 H LYS 8 H LYS 8 13.890 -0.756 0.057 47 HA LYS 8 HA LYS 8 12.783 -3.396 0.038 48 HB3 LYS 8 2HB LYS 8 10.578 -1.937 -0.060 49 HG3 LYS 8 2HG LYS 8 11.144 -0.954 2.293 50 HD3 LYS 8 2HD LYS 8 11.191 -3.919 1.689 51 HE3 LYS 8 2HE LYS 8 11.157 -2.420 4.317 52 HZ1 LYS 8 3HZ LYS 8 10.613 -4.638 5.271 53 HZ2 LYS 8 1HZ LYS 8 10.138 -5.139 3.788 54 HZ3 LYS 8 2HZ LYS 8 9.374 -3.856 4.549 55 H THR 9 H THR 9 10.754 -3.796 -1.460 56 HA THR 9 HA THR 9 11.518 -3.275 -4.271 57 HB THR 9 HB THR 9 10.593 -5.607 -4.660 58 HG1 THR 9 1HG THR 9 11.008 -6.835 -2.517 59 HG21 THR 9 3HG2 THR 9 12.634 -6.763 -4.055 60 HG22 THR 9 1HG2 THR 9 13.061 -5.487 -2.888 61 HG23 THR 9 2HG2 THR 9 13.012 -5.137 -4.630 62 H GLN 10 H GLN 10 9.658 -3.564 -5.733 63 HA GLN 10 HA GLN 10 7.291 -2.193 -4.904 64 HB3 GLN 10 2HB GLN 10 7.246 -4.146 -7.219 65 HG3 GLN 10 2HG GLN 10 6.284 -2.105 -8.369 66 HE21 GLN 10 1HE2 GLN 10 4.663 -1.262 -5.497 67 HE22 GLN 10 2HE2 GLN 10 3.416 -2.478 -5.653 68 H GLU 11 H GLU 11 8.153 -5.654 -5.131 69 HA GLU 11 HA GLU 11 5.677 -6.727 -4.349 70 HB3 GLU 11 2HB GLU 11 7.436 -8.425 -3.107 71 HG3 GLU 11 2HG GLU 11 6.985 -8.383 -6.115 72 H GLU 12 H GLU 12 8.449 -5.763 -2.187 73 HA GLU 12 HA GLU 12 7.270 -6.581 0.234 74 HB3 GLU 12 2HB GLU 12 8.708 -4.507 1.080 75 HG3 GLU 12 2HG GLU 12 10.834 -5.957 0.195 76 H LEU 13 H LEU 13 7.185 -3.309 -1.257 77 HA LEU 13 HA LEU 13 5.539 -2.211 0.833 78 HB3 LEU 13 2HB LEU 13 5.107 -0.494 -1.295 79 HG LEU 13 HG LEU 13 6.200 0.604 0.317 80 HD11 LEU 13 1HD1 LEU 13 8.432 0.071 1.266 81 HD12 LEU 13 2HD1 LEU 13 8.367 -1.512 0.456 82 HD13 LEU 13 3HD1 LEU 13 7.190 -1.077 1.719 83 HD21 LEU 13 3HD2 LEU 13 8.554 0.037 -1.528 84 HD22 LEU 13 1HD2 LEU 13 8.182 1.542 -0.683 85 HD23 LEU 13 2HD2 LEU 13 7.148 1.040 -2.003 86 H THR 14 H THR 14 4.691 -3.871 -2.236 87 HA THR 14 HA THR 14 1.869 -3.421 -1.885 88 HB THR 14 HB THR 14 3.536 -5.379 -3.504 89 HG1 THR 14 1HG THR 14 1.875 -3.165 -4.171 90 HG21 THR 14 3HG2 THR 14 1.442 -5.851 -4.786 91 HG22 THR 14 1HG2 THR 14 0.505 -5.035 -3.511 92 HG23 THR 14 2HG2 THR 14 1.402 -6.513 -3.147 93 H GLU 15 H GLU 15 4.105 -6.080 -0.795 94 HA GLU 15 HA GLU 15 2.091 -7.896 0.054 95 HB3 GLU 15 2HB GLU 15 3.970 -8.735 1.631 96 HG3 GLU 15 2HG GLU 15 5.544 -9.415 -0.230 97 H ILE 16 H ILE 16 3.888 -5.373 1.855 98 HA ILE 16 HA ILE 16 2.789 -5.857 4.413 99 HB ILE 16 HB ILE 16 3.535 -3.183 3.095 100 HG13 ILE 16 2HG1 ILE 16 5.341 -5.109 3.339 101 HG21 ILE 16 1HG2 ILE 16 3.864 -2.507 5.569 102 HG22 ILE 16 2HG2 ILE 16 2.205 -2.723 5.042 103 HG23 ILE 16 3HG2 ILE 16 2.961 -3.987 5.968 104 HD11 ILE 16 3HD1 ILE 16 5.885 -2.693 2.855 105 HD12 ILE 16 1HD1 ILE 16 6.019 -2.447 4.608 106 HD13 ILE 16 2HD1 ILE 16 7.107 -3.574 3.776 107 H VAL 17 H VAL 17 1.672 -3.594 1.872 108 HA VAL 17 HA VAL 17 -0.735 -2.836 3.165 109 HB VAL 17 HB VAL 17 0.314 -2.706 0.307 110 HG11 VAL 17 1HG1 VAL 17 -2.349 -1.882 1.329 111 HG12 VAL 17 2HG1 VAL 17 -1.489 -0.697 0.312 112 HG13 VAL 17 3HG1 VAL 17 -1.818 -2.311 -0.297 113 HG21 VAL 17 3HG2 VAL 17 0.101 -0.666 2.564 114 HG22 VAL 17 1HG2 VAL 17 1.596 -1.386 1.923 115 HG23 VAL 17 2HG2 VAL 17 0.621 -0.334 0.904 116 H ARG 18 H ARG 18 0.013 -5.655 1.176 117 HA ARG 18 HA ARG 18 -2.729 -6.385 0.626 118 HB3 ARG 18 2HB ARG 18 -0.350 -8.299 0.747 119 HG3 ARG 18 2HG ARG 18 -2.574 -8.033 -1.299 120 HD3 ARG 18 2HD ARG 18 -0.652 -10.269 -0.527 121 HE ARG 18 HE ARG 18 -3.086 -10.854 -1.296 122 HH11 ARG 18 1HH1 ARG 18 -0.040 -11.109 -3.104 123 HH12 ARG 18 2HH1 ARG 18 -0.678 -12.177 -4.284 124 HH21 ARG 18 1HH2 ARG 18 -3.941 -12.186 -2.839 125 HH22 ARG 18 2HH2 ARG 18 -2.997 -12.713 -4.223 126 H ASP 19 H ASP 19 -0.254 -7.685 2.827 127 HA ASP 19 HA ASP 19 -1.893 -9.671 3.944 128 HB3 ASP 19 2HB ASP 19 0.242 -8.549 5.756 129 H HIS 20 H HIS 20 -1.354 -6.368 4.956 130 HA HIS 20 HA HIS 20 -2.802 -6.376 7.433 131 HB3 HIS 20 2HB HIS 20 -2.951 -3.869 6.766 132 HD1 HIS 20 1HD HIS 20 -1.665 -3.056 8.722 133 HD2 HIS 20 2HD HIS 20 0.344 -6.067 6.565 134 HE1 HIS 20 1HE HIS 20 0.557 -3.506 9.929 135 H PHE 21 H PHE 21 -3.829 -6.390 4.076 136 HA PHE 21 HA PHE 21 -6.533 -5.518 4.819 137 HB3 PHE 21 2HB PHE 21 -6.328 -5.955 2.016 138 HD1 PHE 21 2HD PHE 21 -8.305 -4.733 3.763 139 HD2 PHE 21 1HD PHE 21 -4.952 -2.999 1.696 140 HE1 PHE 21 2HE PHE 21 -9.382 -2.484 3.916 141 HE2 PHE 21 1HE PHE 21 -6.067 -0.806 1.736 142 HZ PHE 21 HZ PHE 21 -8.252 -0.518 2.908 143 H SER 22 H SER 22 -4.785 -8.434 3.672 144 HA SER 22 HA SER 22 -7.008 -9.843 2.673 145 HB3 SER 22 2HB SER 22 -4.833 -10.548 2.180 146 HG SER 22 HG SER 22 -4.306 -11.075 4.908 147 H ASP 23 H ASP 23 -6.601 -8.812 5.748 148 HA ASP 23 HA ASP 23 -8.162 -11.003 7.041 149 HB3 ASP 23 2HB ASP 23 -6.492 -8.991 8.522 150 H MET 24 H MET 24 -8.799 -8.269 5.575 151 HA MET 24 HA MET 24 -10.786 -7.205 7.516 152 HB3 MET 24 2HB MET 24 -10.528 -5.034 6.266 153 HG3 MET 24 2HG MET 24 -7.925 -5.764 7.610 154 HE1 MET 24 3HE MET 24 -7.392 -2.061 6.557 155 HE2 MET 24 1HE MET 24 -6.458 -3.369 7.296 156 HE3 MET 24 2HE MET 24 -7.446 -3.691 5.870 157 H GLY 25 H GLY 25 -10.757 -9.248 4.955 158 HA2 GLY 25 1HA GLY 25 -13.016 -9.616 3.958 159 HA3 GLY 25 2HA GLY 25 -13.046 -7.907 3.542 160 H GLU 26 H GLU 26 -13.189 -8.291 1.283 161 HA GLU 26 HA GLU 26 -10.780 -9.536 0.052 162 HB3 GLU 26 2HB GLU 26 -12.337 -10.283 -1.755 163 HG3 GLU 26 2HG GLU 26 -12.698 -11.389 1.071 164 H ILE 27 H ILE 27 -9.778 -8.462 -1.370 165 HA ILE 27 HA ILE 27 -10.650 -5.806 -2.221 166 HB ILE 27 HB ILE 27 -7.995 -7.211 -2.742 167 HG13 ILE 27 2HG1 ILE 27 -8.879 -5.614 -0.331 168 HG21 ILE 27 1HG2 ILE 27 -9.018 -4.364 -2.974 169 HG22 ILE 27 2HG2 ILE 27 -7.312 -4.793 -3.021 170 HG23 ILE 27 3HG2 ILE 27 -8.378 -5.437 -4.244 171 HD11 ILE 27 3HD1 ILE 27 -8.218 -8.187 -0.355 172 HD12 ILE 27 1HD1 ILE 27 -6.558 -7.580 -0.540 173 HD13 ILE 27 2HD1 ILE 27 -7.518 -7.173 0.875 174 H ALA 28 H ALA 28 -11.076 -5.329 -4.402 175 HA ALA 28 HA ALA 28 -11.226 -7.541 -6.390 176 HB1 ALA 28 1HB ALA 28 -12.061 -4.599 -6.594 177 HB2 ALA 28 2HB ALA 28 -12.254 -5.841 -7.841 178 HB3 ALA 28 3HB ALA 28 -13.132 -5.981 -6.325 179 H THR 29 H THR 29 -9.809 -4.235 -6.000 180 HA THR 29 HA THR 29 -7.338 -5.153 -7.365 181 HB THR 29 HB THR 29 -8.988 -2.728 -8.176 182 HG1 THR 29 1HG THR 29 -8.098 -5.030 -9.571 183 HG21 THR 29 3HG2 THR 29 -6.687 -2.020 -8.286 184 HG22 THR 29 1HG2 THR 29 -7.207 -2.418 -9.923 185 HG23 THR 29 2HG2 THR 29 -6.177 -3.548 -9.026 186 H LEU 30 H LEU 30 -6.052 -5.068 -5.663 187 HA LEU 30 HA LEU 30 -5.606 -2.575 -4.172 188 HB3 LEU 30 2HB LEU 30 -3.921 -5.128 -4.286 189 HG LEU 30 HG LEU 30 -4.002 -2.690 -2.499 190 HD11 LEU 30 1HD1 LEU 30 -4.676 -4.473 -0.984 191 HD12 LEU 30 2HD1 LEU 30 -3.014 -4.049 -0.640 192 HD13 LEU 30 3HD1 LEU 30 -3.349 -5.508 -1.556 193 HD21 LEU 30 3HD2 LEU 30 -1.552 -3.059 -2.445 194 HD22 LEU 30 1HD2 LEU 30 -2.111 -2.968 -4.111 195 HD23 LEU 30 2HD2 LEU 30 -1.760 -4.564 -3.372 196 H TYR 31 H TYR 31 -4.114 -1.113 -5.056 197 HA TYR 31 HA TYR 31 -1.955 -2.118 -6.628 198 HB3 TYR 31 2HB TYR 31 -3.803 -1.791 -8.393 199 HD1 TYR 31 1HD TYR 31 -4.980 0.359 -6.407 200 HD2 TYR 31 2HD TYR 31 -2.815 0.707 -10.139 201 HE1 TYR 31 1HE TYR 31 -6.171 2.438 -6.893 202 HE2 TYR 31 2HE TYR 31 -3.991 2.816 -10.613 203 HH TYR 31 HH TYR 31 -6.411 4.220 -8.394 204 H VAL 32 H VAL 32 -0.480 -0.229 -7.097 205 HA VAL 32 HA VAL 32 -0.871 2.033 -5.451 206 HB VAL 32 HB VAL 32 0.903 1.149 -4.673 207 HG11 VAL 32 1HG1 VAL 32 2.728 -0.018 -5.855 208 HG12 VAL 32 2HG1 VAL 32 1.174 -0.830 -5.866 209 HG13 VAL 32 3HG1 VAL 32 1.742 0.060 -7.362 210 HG21 VAL 32 3HG2 VAL 32 1.715 3.179 -5.194 211 HG22 VAL 32 1HG2 VAL 32 3.048 2.064 -5.521 212 HG23 VAL 32 2HG2 VAL 32 2.142 2.665 -6.915 213 H GLN 33 H GLN 33 -0.826 4.041 -6.113 214 HA GLN 33 HA GLN 33 -0.568 4.582 -9.055 215 HB3 GLN 33 2HB GLN 33 -1.436 6.828 -8.500 216 HG3 GLN 33 2HG GLN 33 -3.294 4.733 -7.368 217 HE21 GLN 33 1HE2 GLN 33 -5.083 5.919 -6.700 218 HE22 GLN 33 2HE2 GLN 33 -5.639 7.374 -7.470 219 H VAL 34 H VAL 34 1.357 4.391 -6.193 220 HA VAL 34 HA VAL 34 3.391 5.916 -7.511 221 HB VAL 34 HB VAL 34 2.370 7.864 -6.789 222 HG11 VAL 34 1HG1 VAL 34 0.689 7.049 -5.226 223 HG12 VAL 34 2HG1 VAL 34 1.965 6.740 -4.032 224 HG13 VAL 34 3HG1 VAL 34 1.626 8.387 -4.528 225 HG21 VAL 34 3HG2 VAL 34 4.514 7.243 -4.761 226 HG22 VAL 34 1HG2 VAL 34 4.765 7.839 -6.401 227 HG23 VAL 34 2HG2 VAL 34 3.960 8.846 -5.182 228 H TYR 35 H TYR 35 5.060 4.622 -7.228 229 HA TYR 35 HA TYR 35 5.437 3.111 -4.698 230 HB3 TYR 35 2HB TYR 35 6.454 2.718 -7.520 231 HD1 TYR 35 1HD TYR 35 6.279 0.517 -4.484 232 HD2 TYR 35 2HD TYR 35 8.797 2.522 -7.342 233 HE1 TYR 35 1HE TYR 35 8.252 -0.669 -3.578 234 HE2 TYR 35 2HE TYR 35 10.792 1.287 -6.446 235 HH TYR 35 HH TYR 35 11.530 0.141 -4.423 236 H GLU 36 H GLU 36 6.711 4.241 -3.299 237 HA GLU 36 HA GLU 36 8.286 6.454 -4.256 238 HB3 GLU 36 2HB GLU 36 8.721 5.639 -1.458 239 HG3 GLU 36 2HG GLU 36 8.795 7.982 -2.126 240 H SER 37 H SER 37 9.878 5.577 -5.685 241 HA SER 37 HA SER 37 11.192 3.173 -5.152 242 HB3 SER 37 2HB SER 37 10.904 3.807 -7.390 243 HG SER 37 HG SER 37 11.745 5.763 -8.235 244 H SER 38 H SER 38 11.966 6.274 -3.919 245 HA SER 38 HA SER 38 14.737 5.431 -3.299 246 HB3 SER 38 2HB SER 38 13.390 8.140 -3.043 247 HG SER 38 HG SER 38 15.046 8.057 -1.642 248 H LEU 39 H LEU 39 11.670 5.120 -1.839 249 HA LEU 39 HA LEU 39 12.691 5.447 0.913 250 HB3 LEU 39 2HB LEU 39 10.625 6.666 1.516 251 HG LEU 39 HG LEU 39 12.202 8.059 -0.696 252 HD11 LEU 39 1HD1 LEU 39 9.940 9.045 -0.360 253 HD12 LEU 39 2HD1 LEU 39 11.265 10.137 0.047 254 HD13 LEU 39 3HD1 LEU 39 10.354 9.313 1.345 255 HD21 LEU 39 3HD2 LEU 39 13.283 9.246 1.212 256 HD22 LEU 39 1HD2 LEU 39 13.596 7.514 1.260 257 HD23 LEU 39 2HD2 LEU 39 12.378 8.208 2.349 258 H GLU 40 H GLU 40 10.129 4.771 2.123 259 HA GLU 40 HA GLU 40 9.523 2.195 0.825 260 HB3 GLU 40 2HB GLU 40 9.794 0.933 2.746 261 HG3 GLU 40 2HG GLU 40 12.101 1.588 1.735 262 H SER 41 H SER 41 7.710 3.493 0.089 263 HA SER 41 HA SER 41 5.514 3.705 2.065 264 HB3 SER 41 2HB SER 41 6.016 5.832 -0.034 265 HG SER 41 HG SER 41 4.306 5.582 2.145 266 H LEU 42 H LEU 42 3.401 3.521 1.040 267 HA LEU 42 HA LEU 42 3.303 2.801 -1.793 268 HB3 LEU 42 2HB LEU 42 2.070 0.969 0.269 269 HG LEU 42 HG LEU 42 2.169 -0.737 -1.722 270 HD11 LEU 42 1HD1 LEU 42 0.491 1.633 -2.506 271 HD12 LEU 42 2HD1 LEU 42 0.057 0.567 -1.166 272 HD13 LEU 42 3HD1 LEU 42 0.233 -0.091 -2.790 273 HD21 LEU 42 3HD2 LEU 42 4.028 0.503 -2.777 274 HD22 LEU 42 1HD2 LEU 42 2.789 1.555 -3.447 275 HD23 LEU 42 2HD2 LEU 42 2.748 -0.214 -3.746 276 H VAL 43 H VAL 43 1.623 4.104 -2.559 277 HA VAL 43 HA VAL 43 -0.813 4.340 -0.863 278 HB VAL 43 HB VAL 43 0.440 6.656 -2.312 279 HG11 VAL 43 1HG1 VAL 43 -1.961 6.923 -1.862 280 HG12 VAL 43 2HG1 VAL 43 -1.705 6.515 -0.168 281 HG13 VAL 43 3HG1 VAL 43 -1.054 8.014 -0.829 282 HG21 VAL 43 3HG2 VAL 43 1.135 7.613 -0.126 283 HG22 VAL 43 1HG2 VAL 43 0.774 6.025 0.627 284 HG23 VAL 43 2HG2 VAL 43 2.062 6.184 -0.587 285 H GLY 44 H GLY 44 -2.754 4.782 -2.131 286 HA2 GLY 44 1HA GLY 44 -2.930 5.515 -4.727 287 HA3 GLY 44 2HA GLY 44 -2.600 3.802 -4.916 288 H GLY 45 H GLY 45 -4.648 4.169 -2.090 289 HA2 GLY 45 1HA GLY 45 -6.855 3.731 -1.896 290 HA3 GLY 45 2HA GLY 45 -7.104 3.947 -3.599 291 H VAL 46 H VAL 46 -8.402 1.911 -2.300 292 HA VAL 46 HA VAL 46 -7.320 -0.500 -3.594 293 HB VAL 46 HB VAL 46 -6.448 -0.707 -1.387 294 HG11 VAL 46 1HG1 VAL 46 -8.962 0.498 -0.426 295 HG12 VAL 46 2HG1 VAL 46 -8.503 -0.928 0.458 296 HG13 VAL 46 3HG1 VAL 46 -7.370 0.446 0.311 297 HG21 VAL 46 3HG2 VAL 46 -8.834 -2.472 -1.577 298 HG22 VAL 46 1HG2 VAL 46 -7.277 -2.681 -2.409 299 HG23 VAL 46 2HG2 VAL 46 -7.356 -2.761 -0.637 300 H ILE 47 H ILE 47 -8.929 -1.192 -4.898 301 HA ILE 47 HA ILE 47 -11.715 -0.347 -4.352 302 HB ILE 47 HB ILE 47 -10.403 -1.770 -6.731 303 HG13 ILE 47 2HG1 ILE 47 -10.804 1.127 -6.003 304 HG21 ILE 47 1HG2 ILE 47 -12.460 -1.238 -7.924 305 HG22 ILE 47 2HG2 ILE 47 -12.837 -2.269 -6.541 306 HG23 ILE 47 3HG2 ILE 47 -13.159 -0.525 -6.475 307 HD11 ILE 47 3HD1 ILE 47 -8.985 -0.236 -8.048 308 HD12 ILE 47 1HD1 ILE 47 -8.945 1.476 -7.590 309 HD13 ILE 47 2HD1 ILE 47 -8.493 0.242 -6.404 310 H PHE 48 H PHE 48 -12.931 -1.712 -3.094 311 HA PHE 48 HA PHE 48 -12.213 -4.556 -2.723 312 HB3 PHE 48 2HB PHE 48 -14.464 -4.216 -1.282 313 HD1 PHE 48 2HD PHE 48 -10.832 -3.333 -1.280 314 HD2 PHE 48 1HD PHE 48 -14.283 -4.411 1.091 315 HE1 PHE 48 2HE PHE 48 -9.400 -3.645 0.725 316 HE2 PHE 48 1HE PHE 48 -12.824 -4.768 3.033 317 HZ PHE 48 HZ PHE 48 -10.415 -4.397 2.864 318 H GLU 49 H GLU 49 -13.730 -6.250 -2.959 319 HA GLU 49 HA GLU 49 -15.149 -6.329 -5.415 320 HB3 GLU 49 2HB GLU 49 -16.122 -8.409 -3.835 321 HG3 GLU 49 2HG GLU 49 -14.052 -9.680 -4.695 322 H ASP 50 H ASP 50 -16.147 -5.557 -2.122 323 HA ASP 50 HA ASP 50 -19.017 -5.443 -2.835 324 HB3 ASP 50 2HB ASP 50 -17.940 -4.469 -0.195 325 H GLY 51 H GLY 51 -16.828 -3.564 -3.986 326 HA2 GLY 51 1HA GLY 51 -16.882 -1.521 -4.900 327 HA3 GLY 51 2HA GLY 51 -18.523 -1.272 -4.253 328 H ARG 52 H ARG 52 -16.228 -2.002 -1.844 329 HA ARG 52 HA ARG 52 -16.346 0.681 -0.867 330 HB3 ARG 52 2HB ARG 52 -16.772 -0.191 1.019 331 HG3 ARG 52 2HG ARG 52 -15.530 -2.763 0.058 332 HD3 ARG 52 2HD ARG 52 -15.556 -2.538 2.558 333 HE ARG 52 HE ARG 52 -18.347 -1.850 2.091 334 HH11 ARG 52 1HH1 ARG 52 -16.086 -3.254 4.511 335 HH12 ARG 52 2HH1 ARG 52 -17.271 -3.187 5.780 336 HH21 ARG 52 1HH2 ARG 52 -19.634 -1.325 3.959 337 HH22 ARG 52 2HH2 ARG 52 -19.204 -1.981 5.495 338 H HIS 53 H HIS 53 -15.043 1.914 -2.003 339 HA HIS 53 HA HIS 53 -12.196 1.293 -2.324 340 HB3 HIS 53 2HB HIS 53 -13.544 3.896 -3.080 341 HD1 HIS 53 1HD HIS 53 -12.466 4.387 -5.719 342 HD2 HIS 53 2HD HIS 53 -10.122 2.506 -2.803 343 HE1 HIS 53 1HE HIS 53 -10.043 4.537 -6.536 344 H TYR 54 H TYR 54 -10.629 1.942 -0.927 345 HA TYR 54 HA TYR 54 -11.135 4.232 0.875 346 HB3 TYR 54 2HB TYR 54 -9.744 2.873 2.603 347 HD1 TYR 54 1HD TYR 54 -12.807 1.169 1.217 348 HD2 TYR 54 2HD TYR 54 -11.143 3.704 4.257 349 HE1 TYR 54 1HE TYR 54 -14.966 1.083 2.443 350 HE2 TYR 54 2HE TYR 54 -13.335 3.681 5.465 351 HH TYR 54 HH TYR 54 -16.163 1.937 4.206 352 H THR 55 H THR 55 -9.387 5.585 1.200 353 HA THR 55 HA THR 55 -6.995 5.210 -0.500 354 HB THR 55 HB THR 55 -6.423 7.473 0.431 355 HG1 THR 55 1HG THR 55 -7.605 7.449 2.301 356 HG21 THR 55 3HG2 THR 55 -9.215 7.444 -0.748 357 HG22 THR 55 1HG2 THR 55 -7.730 7.141 -1.708 358 HG23 THR 55 2HG2 THR 55 -7.974 8.703 -0.905 359 H PHE 56 H PHE 56 -6.178 3.341 0.518 360 HA PHE 56 HA PHE 56 -4.894 3.537 3.129 361 HB3 PHE 56 2HB PHE 56 -3.442 1.842 1.371 362 HD1 PHE 56 1HD PHE 56 -6.359 1.868 3.779 363 HD2 PHE 56 2HD PHE 56 -2.795 -0.120 2.433 364 HE1 PHE 56 1HE PHE 56 -6.596 0.193 5.601 365 HE2 PHE 56 2HE PHE 56 -3.096 -1.863 4.186 366 HZ PHE 56 HZ PHE 56 -4.971 -1.676 5.799 367 H VAL 57 H VAL 57 -3.226 4.628 3.651 368 HA VAL 57 HA VAL 57 -1.194 5.389 1.676 369 HB VAL 57 HB VAL 57 -2.468 7.412 1.976 370 HG11 VAL 57 1HG1 VAL 57 -2.901 8.502 4.099 371 HG12 VAL 57 2HG1 VAL 57 -3.658 6.902 4.095 372 HG13 VAL 57 3HG1 VAL 57 -2.133 7.171 4.979 373 HG21 VAL 57 3HG2 VAL 57 0.024 7.579 3.721 374 HG22 VAL 57 1HG2 VAL 57 -0.023 7.718 1.953 375 HG23 VAL 57 2HG2 VAL 57 -0.812 8.936 2.951 376 H TYR 58 H TYR 58 0.557 4.371 2.300 377 HA TYR 58 HA TYR 58 0.980 3.791 5.195 378 HB3 TYR 58 2HB TYR 58 2.144 2.248 2.823 379 HD1 TYR 58 2HD TYR 58 1.387 2.164 6.542 380 HD2 TYR 58 1HD TYR 58 4.092 0.999 3.378 381 HE1 TYR 58 2HE TYR 58 2.873 1.148 8.210 382 HE2 TYR 58 1HE TYR 58 5.615 0.007 5.066 383 HH TYR 58 HH TYR 58 6.024 0.515 7.653 384 H GLU 59 H GLU 59 2.358 5.296 5.966 385 HA GLU 59 HA GLU 59 4.805 5.866 4.383 386 HB3 GLU 59 2HB GLU 59 3.343 7.623 6.403 387 HG3 GLU 59 2HG GLU 59 5.828 7.694 6.831 388 H ASN 60 H ASN 60 6.447 4.893 5.283 389 HA ASN 60 HA ASN 60 7.868 3.926 6.693 390 HB3 ASN 60 2HB ASN 60 6.805 5.945 8.685 391 HD21 ASN 60 1HD2 ASN 60 8.849 3.255 8.604 392 HD22 ASN 60 2HD2 ASN 60 10.190 3.963 9.425 393 H GLU 61 H GLU 61 5.434 4.596 9.190 394 HA GLU 61 HA GLU 61 4.905 1.752 9.597 395 HB3 GLU 61 2HB GLU 61 5.203 1.696 11.953 396 HG3 GLU 61 2HG GLU 61 7.827 2.990 11.396 397 H ASP 62 H ASP 62 3.640 4.797 9.104 398 HA ASP 62 HA ASP 62 1.282 4.429 10.873 399 HB3 ASP 62 2HB ASP 62 2.157 6.903 9.347 400 H LEU 63 H LEU 63 -0.355 3.516 9.970 401 HA LEU 63 HA LEU 63 -0.747 3.579 7.017 402 HB3 LEU 63 2HB LEU 63 -1.450 1.393 9.006 403 HG LEU 63 HG LEU 63 -2.947 1.465 6.987 404 HD11 LEU 63 1HD1 LEU 63 -1.188 2.315 5.346 405 HD12 LEU 63 2HD1 LEU 63 -2.112 0.949 4.804 406 HD13 LEU 63 3HD1 LEU 63 -0.465 0.697 5.409 407 HD21 LEU 63 3HD2 LEU 63 -2.458 -0.576 8.224 408 HD22 LEU 63 1HD2 LEU 63 -1.000 -0.861 7.272 409 HD23 LEU 63 2HD2 LEU 63 -2.592 -0.959 6.515 410 H VAL 64 H VAL 64 -2.448 4.866 6.558 411 HA VAL 64 HA VAL 64 -4.701 5.023 8.520 412 HB VAL 64 HB VAL 64 -3.639 7.164 6.645 413 HG11 VAL 64 1HG1 VAL 64 -6.039 7.522 6.942 414 HG12 VAL 64 2HG1 VAL 64 -5.870 7.339 8.708 415 HG13 VAL 64 3HG1 VAL 64 -5.141 8.714 7.861 416 HG21 VAL 64 3HG2 VAL 64 -2.919 8.336 8.637 417 HG22 VAL 64 1HG2 VAL 64 -3.529 7.030 9.686 418 HG23 VAL 64 2HG2 VAL 64 -2.158 6.755 8.601 419 H TYR 65 H TYR 65 -6.796 5.335 7.594 420 HA TYR 65 HA TYR 65 -7.233 4.614 4.789 421 HB3 TYR 65 2HB TYR 65 -7.427 2.480 5.725 422 HD1 TYR 65 2HD TYR 65 -9.928 4.228 7.986 423 HD2 TYR 65 1HD TYR 65 -6.642 1.435 7.669 424 HE1 TYR 65 2HE TYR 65 -10.134 3.719 10.371 425 HE2 TYR 65 1HE TYR 65 -6.925 0.844 10.044 426 HH TYR 65 HH TYR 65 -9.261 2.519 12.171 427 H GLU 66 H GLU 66 -9.350 5.363 4.076 428 HA GLU 66 HA GLU 66 -11.435 6.217 5.690 429 HB3 GLU 66 2HB GLU 66 -10.084 8.220 6.177 430 HG3 GLU 66 2HG GLU 66 -10.181 8.867 3.210 431 H GLU 67 H GLU 67 -13.020 7.520 3.921 432 HA GLU 67 HA GLU 67 -13.136 5.380 1.882 433 HB3 GLU 67 2HB GLU 67 -15.213 7.025 3.417 434 HG3 GLU 67 2HG GLU 67 -15.515 4.965 1.261 435 H GLU 68 H GLU 68 -13.420 5.882 -0.319 436 HA GLU 68 HA GLU 68 -12.698 8.539 -1.127 437 HB3 GLU 68 2HB GLU 68 -14.103 6.702 -3.092 438 HG3 GLU 68 2HG GLU 68 -11.544 8.361 -3.084 439 H VAL 69 H VAL 69 -13.987 10.302 -1.726 440 HA VAL 69 HA VAL 69 -16.753 9.788 -2.575 441 HB VAL 69 HB VAL 69 -16.078 11.864 -0.439 442 HG11 VAL 69 1HG1 VAL 69 -17.833 12.682 -1.908 443 HG12 VAL 69 2HG1 VAL 69 -18.672 11.119 -1.865 444 HG13 VAL 69 3HG1 VAL 69 -18.600 12.131 -0.419 445 HG21 VAL 69 3HG2 VAL 69 -17.591 9.222 -0.272 446 HG22 VAL 69 1HG2 VAL 69 -16.139 9.685 0.634 447 HG23 VAL 69 2HG2 VAL 69 -17.680 10.472 0.954 448 H LEU 70 H LEU 70 -16.408 10.343 -4.665 449 HA LEU 70 HA LEU 70 -15.395 13.013 -5.386 450 HB3 LEU 70 2HB LEU 70 -13.957 11.954 -7.166 451 HG LEU 70 HG LEU 70 -13.129 11.148 -4.341 452 HD11 LEU 70 1HD1 LEU 70 -10.860 11.161 -5.287 453 HD12 LEU 70 2HD1 LEU 70 -11.521 11.533 -6.891 454 HD13 LEU 70 3HD1 LEU 70 -11.876 9.979 -6.107 455 HD21 LEU 70 3HD2 LEU 70 -13.520 13.597 -4.540 456 HD22 LEU 70 1HD2 LEU 70 -12.512 13.645 -5.981 457 HD23 LEU 70 2HD2 LEU 70 -11.808 13.215 -4.416 Start of MODEL 12 1 H1 GLY 1 H GLY 1 33.196 -4.320 4.857 2 HA2 GLY 1 1HA GLY 1 33.414 -2.838 2.859 3 HA3 GLY 1 2HA GLY 1 31.699 -3.229 2.541 4 H ASP 2 H ASP 2 31.451 -0.764 2.763 5 HA ASP 2 HA ASP 2 30.594 -0.243 5.519 6 HB3 ASP 2 2HB ASP 2 32.241 1.752 3.914 7 H ASP 3 H ASP 3 29.404 -0.992 2.791 8 HA ASP 3 HA ASP 3 27.397 1.110 2.535 9 HB3 ASP 3 2HB ASP 3 29.167 0.365 0.163 10 H ARG 4 H ARG 4 25.674 -0.321 2.883 11 HA ARG 4 HA ARG 4 25.267 -2.553 1.127 12 HB3 ARG 4 2HB ARG 4 24.907 -4.068 3.222 13 HG3 ARG 4 2HG ARG 4 27.850 -3.972 2.836 14 HD3 ARG 4 2HD ARG 4 26.652 -6.032 3.623 15 HE ARG 4 HE ARG 4 25.090 -5.560 1.229 16 HH11 ARG 4 1HH1 ARG 4 26.228 -8.325 3.205 17 HH12 ARG 4 2HH1 ARG 4 24.752 -9.212 2.948 18 HH21 ARG 4 1HH2 ARG 4 23.256 -6.812 0.851 19 HH22 ARG 4 2HH2 ARG 4 23.261 -8.488 1.302 20 H LYS 5 H LYS 5 23.425 -1.146 0.668 21 HA LYS 5 HA LYS 5 21.293 -1.806 2.476 22 HB3 LYS 5 2HB LYS 5 21.226 0.933 1.243 23 HG3 LYS 5 2HG LYS 5 20.743 0.361 4.130 24 HD3 LYS 5 2HD LYS 5 20.236 2.580 2.684 25 HE3 LYS 5 2HE LYS 5 17.547 1.124 2.793 26 HZ1 LYS 5 3HZ LYS 5 18.337 3.506 1.266 27 HZ2 LYS 5 1HZ LYS 5 17.705 3.614 2.775 28 HZ3 LYS 5 2HZ LYS 5 16.790 3.007 1.579 29 H LEU 6 H LEU 6 19.280 -2.038 1.336 30 HA LEU 6 HA LEU 6 19.172 -1.047 -1.429 31 HB3 LEU 6 2HB LEU 6 17.644 -2.902 -2.008 32 HG LEU 6 HG LEU 6 20.300 -3.892 -0.908 33 HD11 LEU 6 1HD1 LEU 6 19.986 -5.857 -2.329 34 HD12 LEU 6 2HD1 LEU 6 18.384 -5.268 -2.847 35 HD13 LEU 6 3HD1 LEU 6 18.668 -5.735 -1.165 36 HD21 LEU 6 3HD2 LEU 6 19.408 -3.064 -3.720 37 HD22 LEU 6 1HD2 LEU 6 20.982 -3.837 -3.334 38 HD23 LEU 6 2HD2 LEU 6 20.599 -2.235 -2.721 39 H MET 7 H MET 7 17.043 -0.373 -1.921 40 HA MET 7 HA MET 7 15.139 0.254 0.229 41 HB3 MET 7 2HB MET 7 15.097 1.898 -1.452 42 HG3 MET 7 2HG MET 7 15.984 -0.124 -3.298 43 HE1 MET 7 3HE MET 7 12.122 1.772 -4.971 44 HE2 MET 7 1HE MET 7 12.284 1.266 -3.295 45 HE3 MET 7 2HE MET 7 13.227 2.640 -3.866 46 H LYS 8 H LYS 8 12.936 -0.639 -0.177 47 HA LYS 8 HA LYS 8 12.922 -3.538 -0.731 48 HB3 LYS 8 2HB LYS 8 10.503 -3.277 -0.134 49 HG3 LYS 8 2HG LYS 8 12.291 -1.967 1.929 50 HD3 LYS 8 2HD LYS 8 10.935 -3.542 3.460 51 HE3 LYS 8 2HE LYS 8 8.866 -1.677 2.598 52 HZ1 LYS 8 3HZ LYS 8 10.891 -1.444 4.750 53 HZ2 LYS 8 1HZ LYS 8 9.356 -2.046 4.946 54 HZ3 LYS 8 2HZ LYS 8 9.592 -0.467 4.572 55 H THR 9 H THR 9 10.829 -4.110 -2.309 56 HA THR 9 HA THR 9 11.140 -2.373 -4.723 57 HB THR 9 HB THR 9 10.739 -4.602 -5.942 58 HG1 THR 9 1HG THR 9 11.902 -5.798 -3.686 59 HG21 THR 9 3HG2 THR 9 12.872 -3.454 -6.003 60 HG22 THR 9 1HG2 THR 9 13.114 -5.202 -5.867 61 HG23 THR 9 2HG2 THR 9 13.344 -4.155 -4.442 62 H GLN 10 H GLN 10 9.397 -2.882 -6.363 63 HA GLN 10 HA GLN 10 6.892 -2.038 -5.587 64 HB3 GLN 10 2HB GLN 10 7.317 -3.914 -7.941 65 HG3 GLN 10 2HG GLN 10 6.108 -2.119 -9.167 66 HE21 GLN 10 1HE2 GLN 10 3.949 -1.671 -6.581 67 HE22 GLN 10 2HE2 GLN 10 2.863 -2.932 -7.073 68 H GLU 11 H GLU 11 8.071 -5.410 -5.910 69 HA GLU 11 HA GLU 11 5.655 -6.691 -5.251 70 HB3 GLU 11 2HB GLU 11 8.018 -8.127 -4.216 71 HG3 GLU 11 2HG GLU 11 6.041 -8.415 -6.515 72 H GLU 12 H GLU 12 8.443 -5.846 -3.076 73 HA GLU 12 HA GLU 12 7.270 -6.842 -0.743 74 HB3 GLU 12 2HB GLU 12 8.759 -5.154 0.403 75 HG3 GLU 12 2HG GLU 12 10.326 -6.516 -1.804 76 H LEU 13 H LEU 13 7.027 -3.532 -2.131 77 HA LEU 13 HA LEU 13 5.504 -2.454 0.053 78 HB3 LEU 13 2HB LEU 13 4.786 -0.766 -2.042 79 HG LEU 13 HG LEU 13 6.171 0.290 -0.597 80 HD11 LEU 13 1HD1 LEU 13 7.415 -1.528 0.497 81 HD12 LEU 13 2HD1 LEU 13 8.510 -0.280 -0.043 82 HD13 LEU 13 3HD1 LEU 13 8.385 -1.774 -0.984 83 HD21 LEU 13 3HD2 LEU 13 6.579 0.733 -3.065 84 HD22 LEU 13 1HD2 LEU 13 8.007 -0.322 -2.940 85 HD23 LEU 13 2HD2 LEU 13 7.933 1.181 -2.027 86 H THR 14 H THR 14 4.516 -4.255 -2.861 87 HA THR 14 HA THR 14 1.674 -3.947 -2.404 88 HB THR 14 HB THR 14 3.279 -5.982 -4.021 89 HG1 THR 14 1HG THR 14 3.653 -4.168 -4.980 90 HG21 THR 14 3HG2 THR 14 1.187 -6.273 -5.318 91 HG22 THR 14 1HG2 THR 14 0.331 -5.288 -4.112 92 HG23 THR 14 2HG2 THR 14 1.030 -6.845 -3.652 93 H GLU 15 H GLU 15 4.123 -6.477 -1.593 94 HA GLU 15 HA GLU 15 2.340 -8.359 -0.464 95 HB3 GLU 15 2HB GLU 15 4.406 -9.199 0.722 96 HG3 GLU 15 2HG GLU 15 5.826 -9.563 -1.370 97 H ILE 16 H ILE 16 4.263 -5.760 1.128 98 HA ILE 16 HA ILE 16 3.458 -6.164 3.785 99 HB ILE 16 HB ILE 16 4.054 -3.620 2.183 100 HG13 ILE 16 2HG1 ILE 16 5.895 -5.439 2.699 101 HG21 ILE 16 1HG2 ILE 16 2.718 -2.894 4.110 102 HG22 ILE 16 2HG2 ILE 16 3.721 -3.875 5.194 103 HG23 ILE 16 3HG2 ILE 16 4.389 -2.445 4.389 104 HD11 ILE 16 3HD1 ILE 16 6.400 -2.538 3.525 105 HD12 ILE 16 1HD1 ILE 16 7.620 -3.738 3.109 106 HD13 ILE 16 2HD1 ILE 16 6.488 -3.175 1.872 107 H VAL 17 H VAL 17 1.881 -4.129 1.285 108 HA VAL 17 HA VAL 17 -0.264 -3.296 2.981 109 HB VAL 17 HB VAL 17 0.343 -3.241 0.007 110 HG11 VAL 17 1HG1 VAL 17 -2.139 -2.133 1.325 111 HG12 VAL 17 2HG1 VAL 17 -1.516 -1.621 -0.266 112 HG13 VAL 17 3HG1 VAL 17 -2.040 -3.311 0.007 113 HG21 VAL 17 3HG2 VAL 17 0.644 -0.854 0.436 114 HG22 VAL 17 1HG2 VAL 17 0.053 -1.033 2.102 115 HG23 VAL 17 2HG2 VAL 17 1.588 -1.763 1.618 116 H ARG 18 H ARG 18 0.065 -6.053 0.712 117 HA ARG 18 HA ARG 18 -2.659 -6.950 0.938 118 HB3 ARG 18 2HB ARG 18 -0.153 -8.604 0.367 119 HG3 ARG 18 2HG ARG 18 -3.006 -8.802 -0.675 120 HD3 ARG 18 2HD ARG 18 -0.526 -10.491 -1.208 121 HE ARG 18 HE ARG 18 -2.412 -11.912 -1.264 122 HH11 ARG 18 1HH1 ARG 18 -2.532 -9.408 -3.847 123 HH12 ARG 18 2HH1 ARG 18 -3.519 -10.343 -4.888 124 HH21 ARG 18 1HH2 ARG 18 -3.934 -13.041 -2.619 125 HH22 ARG 18 2HH2 ARG 18 -4.409 -12.365 -4.151 126 H ASP 19 H ASP 19 0.365 -7.812 2.692 127 HA ASP 19 HA ASP 19 -0.870 -9.618 4.526 128 HB3 ASP 19 2HB ASP 19 1.826 -8.229 4.725 129 H HIS 20 H HIS 20 -1.322 -6.393 4.406 130 HA HIS 20 HA HIS 20 -1.936 -6.320 7.330 131 HB3 HIS 20 2HB HIS 20 -2.419 -3.911 6.921 132 HD1 HIS 20 1HD HIS 20 0.127 -5.665 8.159 133 HD2 HIS 20 2HD HIS 20 0.195 -2.462 5.419 134 HE1 HIS 20 1HE HIS 20 2.393 -4.597 8.384 135 H PHE 21 H PHE 21 -3.366 -5.862 4.048 136 HA PHE 21 HA PHE 21 -5.911 -5.494 5.403 137 HB3 PHE 21 2HB PHE 21 -5.888 -5.450 2.440 138 HD1 PHE 21 2HD PHE 21 -7.995 -5.086 4.856 139 HD2 PHE 21 1HD PHE 21 -5.714 -2.344 2.416 140 HE1 PHE 21 2HE PHE 21 -9.619 -3.303 5.341 141 HE2 PHE 21 1HE PHE 21 -7.360 -0.568 2.939 142 HZ PHE 21 HZ PHE 21 -9.286 -1.035 4.383 143 H SER 22 H SER 22 -4.454 -8.255 3.691 144 HA SER 22 HA SER 22 -6.887 -9.350 2.739 145 HB3 SER 22 2HB SER 22 -4.782 -11.258 3.682 146 HG SER 22 HG SER 22 -6.577 -11.753 2.222 147 H ASP 23 H ASP 23 -5.645 -9.139 6.004 148 HA ASP 23 HA ASP 23 -7.146 -11.353 7.082 149 HB3 ASP 23 2HB ASP 23 -6.622 -9.481 9.151 150 H MET 24 H MET 24 -8.286 -8.461 5.830 151 HA MET 24 HA MET 24 -10.545 -8.287 7.777 152 HB3 MET 24 2HB MET 24 -10.418 -5.882 7.682 153 HG3 MET 24 2HG MET 24 -7.583 -6.905 8.138 154 HE1 MET 24 3HE MET 24 -6.261 -4.864 7.737 155 HE2 MET 24 1HE MET 24 -7.634 -3.942 7.076 156 HE3 MET 24 2HE MET 24 -6.615 -3.238 8.342 157 H GLY 25 H GLY 25 -10.818 -9.862 5.512 158 HA2 GLY 25 1HA GLY 25 -12.956 -9.975 4.337 159 HA3 GLY 25 2HA GLY 25 -12.814 -8.260 3.937 160 H GLU 26 H GLU 26 -12.938 -8.646 1.618 161 HA GLU 26 HA GLU 26 -10.526 -9.872 0.476 162 HB3 GLU 26 2HB GLU 26 -12.136 -10.895 -1.297 163 HG3 GLU 26 2HG GLU 26 -11.663 -12.045 1.462 164 H ILE 27 H ILE 27 -9.619 -8.559 -0.750 165 HA ILE 27 HA ILE 27 -10.683 -5.969 -1.485 166 HB ILE 27 HB ILE 27 -8.048 -7.439 -2.020 167 HG13 ILE 27 2HG1 ILE 27 -8.977 -5.458 0.059 168 HG21 ILE 27 1HG2 ILE 27 -8.832 -4.607 -2.774 169 HG22 ILE 27 2HG2 ILE 27 -7.168 -5.207 -2.733 170 HG23 ILE 27 3HG2 ILE 27 -8.307 -5.930 -3.853 171 HD11 ILE 27 3HD1 ILE 27 -8.378 -7.873 0.662 172 HD12 ILE 27 1HD1 ILE 27 -6.721 -7.526 0.121 173 HD13 ILE 27 2HD1 ILE 27 -7.418 -6.658 1.494 174 H ALA 28 H ALA 28 -11.371 -5.353 -3.573 175 HA ALA 28 HA ALA 28 -11.898 -7.511 -5.533 176 HB1 ALA 28 1HB ALA 28 -12.575 -4.527 -5.559 177 HB2 ALA 28 2HB ALA 28 -12.956 -5.685 -6.845 178 HB3 ALA 28 3HB ALA 28 -13.689 -5.887 -5.255 179 H THR 29 H THR 29 -10.129 -4.365 -5.289 180 HA THR 29 HA THR 29 -8.173 -5.309 -7.323 181 HB THR 29 HB THR 29 -9.547 -2.596 -7.288 182 HG1 THR 29 1HG THR 29 -9.979 -4.663 -9.175 183 HG21 THR 29 3HG2 THR 29 -7.272 -2.595 -8.307 184 HG22 THR 29 1HG2 THR 29 -8.553 -2.182 -9.443 185 HG23 THR 29 2HG2 THR 29 -7.836 -3.800 -9.486 186 H LEU 30 H LEU 30 -6.367 -5.353 -6.213 187 HA LEU 30 HA LEU 30 -5.593 -2.922 -4.703 188 HB3 LEU 30 2HB LEU 30 -4.030 -5.499 -4.970 189 HG LEU 30 HG LEU 30 -3.485 -2.954 -3.870 190 HD11 LEU 30 1HD1 LEU 30 -5.206 -3.455 -2.109 191 HD12 LEU 30 2HD1 LEU 30 -3.596 -3.109 -1.488 192 HD13 LEU 30 3HD1 LEU 30 -4.175 -4.792 -1.544 193 HD21 LEU 30 3HD2 LEU 30 -1.825 -4.561 -4.450 194 HD22 LEU 30 1HD2 LEU 30 -2.238 -5.587 -3.042 195 HD23 LEU 30 2HD2 LEU 30 -1.546 -3.952 -2.815 196 H TYR 31 H TYR 31 -4.239 -1.533 -5.850 197 HA TYR 31 HA TYR 31 -2.255 -2.447 -7.649 198 HB3 TYR 31 2HB TYR 31 -4.399 -2.342 -9.150 199 HD1 TYR 31 1HD TYR 31 -5.254 0.018 -7.101 200 HD2 TYR 31 2HD TYR 31 -3.948 -0.109 -11.219 201 HE1 TYR 31 1HE TYR 31 -6.334 2.124 -7.470 202 HE2 TYR 31 2HE TYR 31 -5.116 2.038 -11.631 203 HH TYR 31 HH TYR 31 -6.749 3.847 -9.038 204 H VAL 32 H VAL 32 -1.310 -0.199 -8.594 205 HA VAL 32 HA VAL 32 -1.173 1.593 -6.221 206 HB VAL 32 HB VAL 32 1.068 0.987 -8.124 207 HG11 VAL 32 1HG1 VAL 32 1.383 2.833 -6.699 208 HG12 VAL 32 2HG1 VAL 32 0.987 1.899 -5.248 209 HG13 VAL 32 3HG1 VAL 32 2.474 1.542 -6.168 210 HG21 VAL 32 3HG2 VAL 32 1.945 -0.669 -6.347 211 HG22 VAL 32 1HG2 VAL 32 0.310 -0.691 -5.681 212 HG23 VAL 32 2HG2 VAL 32 0.611 -1.257 -7.335 213 H GLN 33 H GLN 33 -1.190 3.785 -6.692 214 HA GLN 33 HA GLN 33 -1.587 4.509 -9.562 215 HB3 GLN 33 2HB GLN 33 -2.592 6.560 -8.734 216 HG3 GLN 33 2HG GLN 33 -3.894 3.998 -7.703 217 HE21 GLN 33 1HE2 GLN 33 -4.450 7.372 -8.917 218 HE22 GLN 33 2HE2 GLN 33 -6.137 7.378 -8.447 219 H VAL 34 H VAL 34 0.771 4.424 -7.164 220 HA VAL 34 HA VAL 34 2.620 6.088 -8.525 221 HB VAL 34 HB VAL 34 2.899 7.511 -6.301 222 HG11 VAL 34 1HG1 VAL 34 0.896 8.452 -8.346 223 HG12 VAL 34 2HG1 VAL 34 1.952 9.434 -7.321 224 HG13 VAL 34 3HG1 VAL 34 2.658 8.440 -8.610 225 HG21 VAL 34 3HG2 VAL 34 0.916 8.210 -5.226 226 HG22 VAL 34 1HG2 VAL 34 -0.145 7.520 -6.475 227 HG23 VAL 34 2HG2 VAL 34 0.732 6.449 -5.378 228 H TYR 35 H TYR 35 4.602 5.278 -8.022 229 HA TYR 35 HA TYR 35 4.860 3.445 -5.678 230 HB3 TYR 35 2HB TYR 35 5.643 3.106 -8.591 231 HD1 TYR 35 1HD TYR 35 6.040 0.910 -5.564 232 HD2 TYR 35 2HD TYR 35 7.996 2.880 -8.865 233 HE1 TYR 35 1HE TYR 35 8.134 -0.327 -5.091 234 HE2 TYR 35 2HE TYR 35 10.048 1.559 -8.444 235 HH TYR 35 HH TYR 35 11.068 -0.062 -7.087 236 H GLU 36 H GLU 36 6.937 3.485 -4.723 237 HA GLU 36 HA GLU 36 8.446 5.963 -5.394 238 HB3 GLU 36 2HB GLU 36 9.141 4.795 -2.835 239 HG3 GLU 36 2HG GLU 36 9.426 7.171 -3.328 240 H SER 37 H SER 37 9.916 5.412 -6.989 241 HA SER 37 HA SER 37 11.547 3.026 -6.869 242 HB3 SER 37 2HB SER 37 11.213 4.087 -8.992 243 HG SER 37 HG SER 37 12.287 6.379 -9.031 244 H SER 38 H SER 38 11.604 6.039 -5.172 245 HA SER 38 HA SER 38 14.465 5.891 -4.523 246 HB3 SER 38 2HB SER 38 14.083 8.141 -3.672 247 HG SER 38 HG SER 38 12.775 8.857 -5.660 248 H LEU 39 H LEU 39 11.448 4.937 -3.023 249 HA LEU 39 HA LEU 39 12.609 4.861 -0.317 250 HB3 LEU 39 2HB LEU 39 10.583 5.937 0.623 251 HG LEU 39 HG LEU 39 11.933 7.704 -1.444 252 HD11 LEU 39 1HD1 LEU 39 10.015 8.479 0.787 253 HD12 LEU 39 2HD1 LEU 39 9.715 8.623 -0.954 254 HD13 LEU 39 3HD1 LEU 39 10.975 9.597 -0.194 255 HD21 LEU 39 3HD2 LEU 39 13.102 8.546 0.533 256 HD22 LEU 39 1HD2 LEU 39 13.378 6.814 0.387 257 HD23 LEU 39 2HD2 LEU 39 12.200 7.432 1.582 258 H GLU 40 H GLU 40 10.066 4.144 0.882 259 HA GLU 40 HA GLU 40 9.523 1.574 -0.431 260 HB3 GLU 40 2HB GLU 40 9.638 0.523 1.674 261 HG3 GLU 40 2HG GLU 40 11.809 0.782 0.260 262 H SER 41 H SER 41 7.783 3.194 -1.156 263 HA SER 41 HA SER 41 5.587 3.480 0.822 264 HB3 SER 41 2HB SER 41 5.321 5.662 -0.791 265 HG SER 41 HG SER 41 5.547 5.796 1.388 266 H LEU 42 H LEU 42 3.510 3.293 0.004 267 HA LEU 42 HA LEU 42 3.137 2.569 -2.839 268 HB3 LEU 42 2HB LEU 42 1.884 0.972 -0.574 269 HG LEU 42 HG LEU 42 2.002 0.720 -3.602 270 HD11 LEU 42 1HD1 LEU 42 1.140 -1.571 -3.446 271 HD12 LEU 42 2HD1 LEU 42 1.373 -1.525 -1.684 272 HD13 LEU 42 3HD1 LEU 42 2.758 -1.395 -2.791 273 HD21 LEU 42 3HD2 LEU 42 -0.328 0.479 -1.628 274 HD22 LEU 42 1HD2 LEU 42 -0.455 0.119 -3.362 275 HD23 LEU 42 2HD2 LEU 42 -0.112 1.755 -2.836 276 H VAL 43 H VAL 43 1.515 4.028 -3.570 277 HA VAL 43 HA VAL 43 -0.714 4.533 -1.672 278 HB VAL 43 HB VAL 43 0.638 6.683 -3.336 279 HG11 VAL 43 1HG1 VAL 43 -0.920 8.187 -2.019 280 HG12 VAL 43 2HG1 VAL 43 -1.698 7.167 -3.221 281 HG13 VAL 43 3HG1 VAL 43 -1.781 6.714 -1.509 282 HG21 VAL 43 3HG2 VAL 43 2.105 6.289 -1.532 283 HG22 VAL 43 1HG2 VAL 43 1.172 7.727 -1.134 284 HG23 VAL 43 2HG2 VAL 43 0.769 6.176 -0.377 285 H GLY 44 H GLY 44 -2.742 5.014 -2.695 286 HA2 GLY 44 1HA GLY 44 -3.468 5.358 -5.215 287 HA3 GLY 44 2HA GLY 44 -3.081 3.627 -5.288 288 H GLY 45 H GLY 45 -4.509 4.553 -2.176 289 HA2 GLY 45 1HA GLY 45 -6.258 3.593 -1.250 290 HA3 GLY 45 2HA GLY 45 -7.183 4.097 -2.680 291 H VAL 46 H VAL 46 -8.330 2.047 -1.759 292 HA VAL 46 HA VAL 46 -7.543 -0.201 -3.451 293 HB VAL 46 HB VAL 46 -6.436 -0.694 -1.317 294 HG11 VAL 46 1HG1 VAL 46 -7.740 0.712 0.239 295 HG12 VAL 46 2HG1 VAL 46 -9.134 -0.372 0.075 296 HG13 VAL 46 3HG1 VAL 46 -7.623 -0.956 0.784 297 HG21 VAL 46 3HG2 VAL 46 -8.901 -2.432 -1.505 298 HG22 VAL 46 1HG2 VAL 46 -7.434 -2.589 -2.496 299 HG23 VAL 46 2HG2 VAL 46 -7.355 -2.826 -0.735 300 H ILE 47 H ILE 47 -9.221 -1.390 -4.224 301 HA ILE 47 HA ILE 47 -11.933 -0.379 -3.537 302 HB ILE 47 HB ILE 47 -11.102 -1.726 -6.129 303 HG13 ILE 47 2HG1 ILE 47 -10.827 1.163 -5.321 304 HG21 ILE 47 1HG2 ILE 47 -13.212 -0.773 -6.966 305 HG22 ILE 47 2HG2 ILE 47 -13.502 -1.848 -5.604 306 HG23 ILE 47 3HG2 ILE 47 -13.544 -0.080 -5.370 307 HD11 ILE 47 3HD1 ILE 47 -8.833 -0.148 -6.086 308 HD12 ILE 47 1HD1 ILE 47 -9.648 -0.436 -7.642 309 HD13 ILE 47 2HD1 ILE 47 -9.207 1.200 -7.177 310 H PHE 48 H PHE 48 -13.482 -1.921 -3.053 311 HA PHE 48 HA PHE 48 -12.444 -4.614 -2.205 312 HB3 PHE 48 2HB PHE 48 -14.475 -3.899 -0.500 313 HD1 PHE 48 2HD PHE 48 -11.117 -2.160 -0.504 314 HD2 PHE 48 1HD PHE 48 -13.491 -5.474 0.891 315 HE1 PHE 48 2HE PHE 48 -9.365 -2.724 1.174 316 HE2 PHE 48 1HE PHE 48 -11.789 -5.978 2.612 317 HZ PHE 48 HZ PHE 48 -9.725 -4.611 2.734 318 H GLU 49 H GLU 49 -14.039 -6.296 -2.042 319 HA GLU 49 HA GLU 49 -15.796 -6.429 -4.249 320 HB3 GLU 49 2HB GLU 49 -16.558 -8.516 -3.012 321 HG3 GLU 49 2HG GLU 49 -13.589 -8.062 -3.590 322 H ASP 50 H ASP 50 -16.379 -5.834 -0.769 323 HA ASP 50 HA ASP 50 -19.277 -5.540 -1.195 324 HB3 ASP 50 2HB ASP 50 -17.760 -5.312 1.391 325 H GLY 51 H GLY 51 -17.196 -3.480 -2.095 326 HA2 GLY 51 1HA GLY 51 -17.175 -1.211 -2.347 327 HA3 GLY 51 2HA GLY 51 -18.781 -1.179 -1.596 328 H ARG 52 H ARG 52 -15.311 -1.263 -0.936 329 HA ARG 52 HA ARG 52 -15.659 0.493 1.404 330 HB3 ARG 52 2HB ARG 52 -14.089 -0.777 2.778 331 HG3 ARG 52 2HG ARG 52 -16.211 -2.719 1.857 332 HD3 ARG 52 2HD ARG 52 -15.240 -2.210 4.677 333 HE ARG 52 HE ARG 52 -16.998 -3.726 4.752 334 HH11 ARG 52 1HH1 ARG 52 -14.301 -5.029 2.884 335 HH12 ARG 52 2HH1 ARG 52 -15.043 -6.562 2.541 336 HH21 ARG 52 1HH2 ARG 52 -17.949 -5.820 4.477 337 HH22 ARG 52 2HH2 ARG 52 -17.006 -7.108 3.789 338 H HIS 53 H HIS 53 -14.953 1.984 -0.284 339 HA HIS 53 HA HIS 53 -12.251 1.562 -1.414 340 HB3 HIS 53 2HB HIS 53 -14.322 3.646 -2.082 341 HD1 HIS 53 1HD HIS 53 -13.992 4.779 -4.434 342 HD2 HIS 53 2HD HIS 53 -10.639 2.631 -3.033 343 HE1 HIS 53 1HE HIS 53 -11.970 5.541 -5.826 344 H TYR 54 H TYR 54 -10.563 2.349 -0.322 345 HA TYR 54 HA TYR 54 -10.822 4.887 1.229 346 HB3 TYR 54 2HB TYR 54 -9.450 3.725 3.033 347 HD1 TYR 54 1HD TYR 54 -12.224 1.426 2.157 348 HD2 TYR 54 2HD TYR 54 -11.003 4.735 4.579 349 HE1 TYR 54 1HE TYR 54 -14.309 1.208 3.529 350 HE2 TYR 54 2HE TYR 54 -13.013 4.469 5.991 351 HH TYR 54 HH TYR 54 -15.387 3.562 5.579 352 H THR 55 H THR 55 -8.823 6.007 1.503 353 HA THR 55 HA THR 55 -6.915 5.592 -0.687 354 HB THR 55 HB THR 55 -6.282 7.916 0.114 355 HG1 THR 55 1HG THR 55 -7.606 8.907 1.541 356 HG21 THR 55 3HG2 THR 55 -9.231 7.632 -0.551 357 HG22 THR 55 1HG2 THR 55 -7.907 7.531 -1.748 358 HG23 THR 55 2HG2 THR 55 -8.183 9.028 -0.845 359 H PHE 56 H PHE 56 -6.199 3.562 0.651 360 HA PHE 56 HA PHE 56 -4.345 3.717 2.768 361 HB3 PHE 56 2HB PHE 56 -3.357 1.911 0.768 362 HD1 PHE 56 2HD PHE 56 -5.967 2.047 3.534 363 HD2 PHE 56 1HD PHE 56 -2.630 -0.025 1.772 364 HE1 PHE 56 2HE PHE 56 -6.007 0.402 5.380 365 HE2 PHE 56 1HE PHE 56 -2.717 -1.721 3.610 366 HZ PHE 56 HZ PHE 56 -4.407 -1.486 5.422 367 H VAL 57 H VAL 57 -2.557 4.790 3.073 368 HA VAL 57 HA VAL 57 -0.629 5.233 0.887 369 HB VAL 57 HB VAL 57 -1.524 7.032 3.171 370 HG11 VAL 57 1HG1 VAL 57 0.875 7.176 3.287 371 HG12 VAL 57 2HG1 VAL 57 1.014 7.370 1.526 372 HG13 VAL 57 3HG1 VAL 57 0.258 8.634 2.509 373 HG21 VAL 57 3HG2 VAL 57 -2.696 7.230 0.899 374 HG22 VAL 57 1HG2 VAL 57 -1.982 8.716 1.561 375 HG23 VAL 57 2HG2 VAL 57 -1.139 7.845 0.290 376 H TYR 58 H TYR 58 1.045 3.785 1.379 377 HA TYR 58 HA TYR 58 1.836 3.622 4.256 378 HB3 TYR 58 2HB TYR 58 2.820 2.037 1.852 379 HD1 TYR 58 1HD TYR 58 2.229 1.793 5.580 380 HD2 TYR 58 2HD TYR 58 4.968 1.117 2.311 381 HE1 TYR 58 1HE TYR 58 3.755 0.625 7.109 382 HE2 TYR 58 2HE TYR 58 6.444 -0.154 3.817 383 HH TYR 58 HH TYR 58 5.472 -0.990 7.124 384 H GLU 59 H GLU 59 3.637 4.756 4.947 385 HA GLU 59 HA GLU 59 5.861 4.933 3.135 386 HB3 GLU 59 2HB GLU 59 4.844 7.146 2.679 387 HG3 GLU 59 2HG GLU 59 5.109 7.654 5.683 388 H ASN 60 H ASN 60 7.752 4.655 4.202 389 HA ASN 60 HA ASN 60 9.013 3.629 5.662 390 HB3 ASN 60 2HB ASN 60 8.177 5.681 7.685 391 HD21 ASN 60 1HD2 ASN 60 9.183 4.976 9.573 392 HD22 ASN 60 2HD2 ASN 60 10.735 4.193 9.610 393 H GLU 61 H GLU 61 6.362 4.535 7.777 394 HA GLU 61 HA GLU 61 5.833 1.824 8.702 395 HB3 GLU 61 2HB GLU 61 7.748 2.557 10.080 396 HG3 GLU 61 2HG GLU 61 5.883 4.761 11.086 397 H ASP 62 H ASP 62 4.844 5.058 8.025 398 HA ASP 62 HA ASP 62 2.460 5.136 9.712 399 HB3 ASP 62 2HB ASP 62 1.928 7.028 8.001 400 H LEU 63 H LEU 63 0.699 4.054 9.159 401 HA LEU 63 HA LEU 63 0.088 3.654 6.275 402 HB3 LEU 63 2HB LEU 63 -0.450 1.671 8.511 403 HG LEU 63 HG LEU 63 -2.355 1.720 6.925 404 HD11 LEU 63 1HD1 LEU 63 -1.309 2.643 4.909 405 HD12 LEU 63 2HD1 LEU 63 -2.088 1.128 4.571 406 HD13 LEU 63 3HD1 LEU 63 -0.311 1.180 4.733 407 HD21 LEU 63 3HD2 LEU 63 -0.493 -0.642 6.593 408 HD22 LEU 63 1HD2 LEU 63 -2.244 -0.662 6.278 409 HD23 LEU 63 2HD2 LEU 63 -1.647 -0.388 7.918 410 H VAL 64 H VAL 64 -1.351 5.288 5.994 411 HA VAL 64 HA VAL 64 -3.583 5.602 7.954 412 HB VAL 64 HB VAL 64 -1.836 7.775 6.735 413 HG11 VAL 64 1HG1 VAL 64 -3.104 9.364 8.105 414 HG12 VAL 64 2HG1 VAL 64 -4.170 8.576 6.960 415 HG13 VAL 64 3HG1 VAL 64 -4.179 8.066 8.667 416 HG21 VAL 64 3HG2 VAL 64 -0.649 6.720 8.592 417 HG22 VAL 64 1HG2 VAL 64 -1.240 8.287 9.120 418 HG23 VAL 64 2HG2 VAL 64 -2.094 6.815 9.621 419 H TYR 65 H TYR 65 -5.553 6.405 7.011 420 HA TYR 65 HA TYR 65 -5.700 6.937 4.161 421 HB3 TYR 65 2HB TYR 65 -5.782 4.499 4.156 422 HD1 TYR 65 2HD TYR 65 -9.182 5.177 5.551 423 HD2 TYR 65 1HD TYR 65 -5.499 2.997 6.017 424 HE1 TYR 65 2HE TYR 65 -10.289 3.682 7.188 425 HE2 TYR 65 1HE TYR 65 -6.575 1.518 7.648 426 HH TYR 65 HH TYR 65 -8.529 0.874 8.594 427 H GLU 66 H GLU 66 -8.094 7.397 3.560 428 HA GLU 66 HA GLU 66 -9.914 7.519 5.787 429 HB3 GLU 66 2HB GLU 66 -9.138 9.831 5.758 430 HG3 GLU 66 2HG GLU 66 -9.932 9.733 2.821 431 H GLU 67 H GLU 67 -12.136 8.519 4.178 432 HA GLU 67 HA GLU 67 -12.437 6.051 2.523 433 HB3 GLU 67 2HB GLU 67 -14.590 7.693 3.934 434 HG3 GLU 67 2HG GLU 67 -14.491 4.998 2.527 435 H GLU 68 H GLU 68 -13.252 6.280 0.443 436 HA GLU 68 HA GLU 68 -13.038 8.905 -0.808 437 HB3 GLU 68 2HB GLU 68 -14.116 6.524 -2.309 438 HG3 GLU 68 2HG GLU 68 -11.966 7.205 -3.672 439 H VAL 69 H VAL 69 -14.762 10.355 -0.855 440 HA VAL 69 HA VAL 69 -17.521 9.317 -1.176 441 HB VAL 69 HB VAL 69 -16.595 11.210 1.022 442 HG11 VAL 69 1HG1 VAL 69 -18.709 12.083 0.057 443 HG12 VAL 69 2HG1 VAL 69 -19.462 10.500 0.275 444 HG13 VAL 69 3HG1 VAL 69 -18.939 11.457 1.676 445 HG21 VAL 69 3HG2 VAL 69 -17.852 8.441 1.034 446 HG22 VAL 69 1HG2 VAL 69 -16.315 8.950 1.759 447 HG23 VAL 69 2HG2 VAL 69 -17.854 9.469 2.454 448 H LEU 70 H LEU 70 -17.279 9.948 -3.379 449 HA LEU 70 HA LEU 70 -17.559 12.816 -3.864 450 HB3 LEU 70 2HB LEU 70 -15.982 12.658 -5.829 451 HG LEU 70 HG LEU 70 -14.582 11.969 -3.211 452 HD11 LEU 70 1HD1 LEU 70 -13.432 13.400 -5.640 453 HD12 LEU 70 2HD1 LEU 70 -13.246 11.673 -5.341 454 HD13 LEU 70 3HD1 LEU 70 -12.583 12.820 -4.183 455 HD21 LEU 70 3HD2 LEU 70 -16.022 14.095 -3.170 456 HD22 LEU 70 1HD2 LEU 70 -15.001 14.705 -4.473 457 HD23 LEU 70 2HD2 LEU 70 -14.321 14.339 -2.863 Start of MODEL 13 1 H1 GLY 1 H GLY 1 28.358 -9.361 -0.703 2 HA2 GLY 1 1HA GLY 1 29.732 -7.368 1.029 3 HA3 GLY 1 2HA GLY 1 29.997 -7.509 -0.732 4 H ASP 2 H ASP 2 27.662 -7.725 -1.866 5 HA ASP 2 HA ASP 2 25.486 -6.017 -1.179 6 HB3 ASP 2 2HB ASP 2 25.795 -7.378 -3.307 7 H ASP 3 H ASP 3 23.715 -6.721 0.034 8 HA ASP 3 HA ASP 3 23.339 -9.276 0.999 9 HB3 ASP 3 2HB ASP 3 24.104 -7.395 3.278 10 H ARG 4 H ARG 4 22.819 -5.996 2.354 11 HA ARG 4 HA ARG 4 20.012 -5.855 1.501 12 HB3 ARG 4 2HB ARG 4 19.711 -7.308 3.358 13 HG3 ARG 4 2HG ARG 4 21.378 -5.428 5.073 14 HD3 ARG 4 2HD ARG 4 19.622 -7.841 5.648 15 HE ARG 4 HE ARG 4 22.049 -7.686 6.787 16 HH11 ARG 4 1HH1 ARG 4 18.749 -7.173 8.038 17 HH12 ARG 4 2HH1 ARG 4 19.147 -7.753 9.629 18 HH21 ARG 4 1HH2 ARG 4 22.507 -8.503 8.792 19 HH22 ARG 4 2HH2 ARG 4 21.308 -8.551 10.071 20 H LYS 5 H LYS 5 22.297 -4.241 0.891 21 HA LYS 5 HA LYS 5 22.305 -2.018 2.690 22 HB3 LYS 5 2HB LYS 5 24.355 -2.935 1.733 23 HG3 LYS 5 2HG LYS 5 23.024 -2.377 -0.879 24 HD3 LYS 5 2HD LYS 5 25.957 -1.778 -0.378 25 HE3 LYS 5 2HE LYS 5 24.353 -1.805 -2.981 26 HZ1 LYS 5 3HZ LYS 5 26.008 -0.111 -3.029 27 HZ2 LYS 5 1HZ LYS 5 26.616 -1.357 -3.906 28 HZ3 LYS 5 2HZ LYS 5 27.159 -1.096 -2.381 29 H LEU 6 H LEU 6 19.723 -2.392 1.539 30 HA LEU 6 HA LEU 6 19.600 -0.414 -0.697 31 HB3 LEU 6 2HB LEU 6 18.227 -2.018 -1.931 32 HG LEU 6 HG LEU 6 20.872 -3.268 -1.032 33 HD11 LEU 6 1HD1 LEU 6 20.783 -4.521 -3.127 34 HD12 LEU 6 2HD1 LEU 6 19.202 -3.805 -3.507 35 HD13 LEU 6 3HD1 LEU 6 19.374 -4.887 -2.109 36 HD21 LEU 6 3HD2 LEU 6 20.212 -1.477 -3.413 37 HD22 LEU 6 1HD2 LEU 6 21.757 -2.320 -3.164 38 HD23 LEU 6 2HD2 LEU 6 21.261 -1.053 -2.044 39 H MET 7 H MET 7 17.486 0.303 -1.223 40 HA MET 7 HA MET 7 15.654 0.611 1.052 41 HB3 MET 7 2HB MET 7 16.027 2.567 -0.341 42 HG3 MET 7 2HG MET 7 15.100 0.841 -2.676 43 HE1 MET 7 3HE MET 7 12.544 3.697 -3.395 44 HE2 MET 7 1HE MET 7 12.868 1.979 -3.650 45 HE3 MET 7 2HE MET 7 12.803 2.644 -2.003 46 H LYS 8 H LYS 8 13.312 0.319 0.366 47 HA LYS 8 HA LYS 8 12.720 -2.406 -0.404 48 HB3 LYS 8 2HB LYS 8 10.357 -1.511 -0.333 49 HG3 LYS 8 2HG LYS 8 11.785 -0.645 2.182 50 HD3 LYS 8 2HD LYS 8 9.832 -2.629 2.702 51 HE3 LYS 8 2HE LYS 8 8.402 -0.402 3.255 52 HZ1 LYS 8 3HZ LYS 8 9.323 -1.802 4.955 53 HZ2 LYS 8 1HZ LYS 8 9.673 -0.256 5.326 54 HZ3 LYS 8 2HZ LYS 8 10.844 -1.198 4.715 55 H THR 9 H THR 9 11.017 -2.763 -2.247 56 HA THR 9 HA THR 9 11.448 -0.873 -4.503 57 HB THR 9 HB THR 9 11.315 -2.755 -6.024 58 HG1 THR 9 1HG THR 9 10.897 -4.662 -5.455 59 HG21 THR 9 3HG2 THR 9 13.450 -3.382 -3.941 60 HG22 THR 9 1HG2 THR 9 13.575 -2.091 -5.159 61 HG23 THR 9 2HG2 THR 9 13.469 -3.787 -5.668 62 H GLN 10 H GLN 10 9.633 -1.546 -6.246 63 HA GLN 10 HA GLN 10 7.124 -0.752 -5.281 64 HB3 GLN 10 2HB GLN 10 7.565 -2.508 -7.732 65 HG3 GLN 10 2HG GLN 10 6.003 -0.858 -8.775 66 HE21 GLN 10 1HE2 GLN 10 3.479 -0.524 -7.561 67 HE22 GLN 10 2HE2 GLN 10 2.841 -2.100 -7.071 68 H GLU 11 H GLU 11 8.503 -4.021 -5.807 69 HA GLU 11 HA GLU 11 6.113 -5.468 -5.218 70 HB3 GLU 11 2HB GLU 11 8.045 -7.194 -4.367 71 HG3 GLU 11 2HG GLU 11 7.614 -6.359 -7.298 72 H GLU 12 H GLU 12 8.864 -4.508 -3.089 73 HA GLU 12 HA GLU 12 7.771 -5.718 -0.785 74 HB3 GLU 12 2HB GLU 12 9.394 -4.229 0.422 75 HG3 GLU 12 2HG GLU 12 10.623 -5.316 -2.152 76 H LEU 13 H LEU 13 7.488 -2.367 -1.970 77 HA LEU 13 HA LEU 13 6.120 -1.397 0.398 78 HB3 LEU 13 2HB LEU 13 5.573 0.594 -1.213 79 HG LEU 13 HG LEU 13 8.479 -0.346 -1.172 80 HD11 LEU 13 1HD1 LEU 13 9.103 1.920 -1.696 81 HD12 LEU 13 2HD1 LEU 13 7.416 2.465 -1.600 82 HD13 LEU 13 3HD1 LEU 13 7.931 1.388 -2.896 83 HD21 LEU 13 3HD2 LEU 13 7.091 1.597 0.723 84 HD22 LEU 13 1HD2 LEU 13 8.812 1.138 0.712 85 HD23 LEU 13 2HD2 LEU 13 7.595 -0.061 1.114 86 H THR 14 H THR 14 5.038 -2.702 -2.740 87 HA THR 14 HA THR 14 2.244 -2.573 -2.139 88 HB THR 14 HB THR 14 3.766 -4.502 -3.939 89 HG1 THR 14 1HG THR 14 4.122 -2.628 -4.754 90 HG21 THR 14 3HG2 THR 14 0.821 -3.727 -3.908 91 HG22 THR 14 1HG2 THR 14 1.475 -5.328 -3.490 92 HG23 THR 14 2HG2 THR 14 1.620 -4.722 -5.146 93 H GLU 15 H GLU 15 4.726 -5.181 -1.465 94 HA GLU 15 HA GLU 15 2.942 -7.112 -0.548 95 HB3 GLU 15 2HB GLU 15 4.867 -7.831 1.022 96 HG3 GLU 15 2HG GLU 15 6.363 -8.678 -0.637 97 H ILE 16 H ILE 16 4.504 -4.526 1.348 98 HA ILE 16 HA ILE 16 3.463 -5.209 3.859 99 HB ILE 16 HB ILE 16 4.056 -2.471 2.608 100 HG13 ILE 16 2HG1 ILE 16 5.904 -4.275 2.828 101 HG21 ILE 16 1HG2 ILE 16 3.696 -3.219 5.530 102 HG22 ILE 16 2HG2 ILE 16 4.282 -1.637 4.950 103 HG23 ILE 16 3HG2 ILE 16 2.648 -2.168 4.570 104 HD11 ILE 16 3HD1 ILE 16 6.483 -1.648 4.213 105 HD12 ILE 16 1HD1 ILE 16 7.608 -2.735 3.369 106 HD13 ILE 16 2HD1 ILE 16 6.386 -1.852 2.449 107 H VAL 17 H VAL 17 2.142 -2.804 1.551 108 HA VAL 17 HA VAL 17 -0.174 -2.264 3.070 109 HB VAL 17 HB VAL 17 0.553 -1.858 0.134 110 HG11 VAL 17 1HG1 VAL 17 -1.840 -1.715 0.255 111 HG12 VAL 17 2HG1 VAL 17 -1.765 -0.722 1.729 112 HG13 VAL 17 3HG1 VAL 17 -1.207 -0.066 0.176 113 HG21 VAL 17 3HG2 VAL 17 0.928 0.494 0.932 114 HG22 VAL 17 1HG2 VAL 17 0.620 -0.034 2.583 115 HG23 VAL 17 2HG2 VAL 17 2.033 -0.647 1.695 116 H ARG 18 H ARG 18 0.450 -4.753 0.618 117 HA ARG 18 HA ARG 18 -2.279 -5.613 0.270 118 HB3 ARG 18 2HB ARG 18 0.333 -7.190 -0.068 119 HG3 ARG 18 2HG ARG 18 -1.573 -7.490 -2.226 120 HD3 ARG 18 2HD ARG 18 -1.568 -9.886 -1.484 121 HE ARG 18 HE ARG 18 1.176 -8.698 -1.798 122 HH11 ARG 18 1HH1 ARG 18 -0.882 -11.533 -2.338 123 HH12 ARG 18 2HH1 ARG 18 -0.048 -11.986 -3.804 124 HH21 ARG 18 1HH2 ARG 18 2.508 -9.676 -3.254 125 HH22 ARG 18 2HH2 ARG 18 2.067 -11.176 -4.001 126 H ASP 19 H ASP 19 0.483 -6.964 2.072 127 HA ASP 19 HA ASP 19 -0.679 -9.184 3.278 128 HB3 ASP 19 2HB ASP 19 1.581 -7.344 4.155 129 H HIS 20 H HIS 20 -0.442 -5.832 4.271 130 HA HIS 20 HA HIS 20 -1.329 -6.093 7.005 131 HB3 HIS 20 2HB HIS 20 -2.229 -3.714 6.666 132 HD1 HIS 20 1HD HIS 20 0.574 -5.278 7.904 133 HD2 HIS 20 2HD HIS 20 -0.078 -1.734 5.745 134 HE1 HIS 20 1HE HIS 20 2.561 -3.775 8.392 135 H PHE 21 H PHE 21 -3.086 -5.540 3.970 136 HA PHE 21 HA PHE 21 -5.611 -5.265 5.362 137 HB3 PHE 21 2HB PHE 21 -5.412 -5.300 2.377 138 HD1 PHE 21 2HD PHE 21 -7.800 -5.218 4.554 139 HD2 PHE 21 1HD PHE 21 -5.647 -2.204 2.317 140 HE1 PHE 21 2HE PHE 21 -9.683 -3.681 4.797 141 HE2 PHE 21 1HE PHE 21 -7.544 -0.700 2.525 142 HZ PHE 21 HZ PHE 21 -9.591 -1.406 3.789 143 H SER 22 H SER 22 -4.017 -7.729 3.264 144 HA SER 22 HA SER 22 -6.299 -9.149 2.515 145 HB3 SER 22 2HB SER 22 -4.363 -9.687 1.398 146 HG SER 22 HG SER 22 -3.114 -9.849 3.920 147 H ASP 23 H ASP 23 -4.916 -8.948 5.631 148 HA ASP 23 HA ASP 23 -5.853 -11.519 6.674 149 HB3 ASP 23 2HB ASP 23 -4.985 -9.160 8.360 150 H MET 24 H MET 24 -7.302 -8.578 5.881 151 HA MET 24 HA MET 24 -9.554 -8.837 7.791 152 HB3 MET 24 2HB MET 24 -9.904 -6.442 7.487 153 HG3 MET 24 2HG MET 24 -7.029 -6.978 8.313 154 HE1 MET 24 3HE MET 24 -6.741 -3.152 8.137 155 HE2 MET 24 1HE MET 24 -5.990 -4.730 7.823 156 HE3 MET 24 2HE MET 24 -7.430 -4.217 6.901 157 H GLY 25 H GLY 25 -8.778 -9.723 4.685 158 HA2 GLY 25 1HA GLY 25 -10.892 -10.748 3.784 159 HA3 GLY 25 2HA GLY 25 -11.468 -9.100 3.572 160 H GLU 26 H GLU 26 -11.568 -10.081 1.277 161 HA GLU 26 HA GLU 26 -8.936 -10.374 -0.049 162 HB3 GLU 26 2HB GLU 26 -10.225 -11.358 -1.919 163 HG3 GLU 26 2HG GLU 26 -10.669 -12.764 0.746 164 H ILE 27 H ILE 27 -8.186 -8.815 -1.233 165 HA ILE 27 HA ILE 27 -9.719 -6.429 -1.829 166 HB ILE 27 HB ILE 27 -6.876 -7.212 -2.595 167 HG13 ILE 27 2HG1 ILE 27 -7.986 -5.439 -0.359 168 HG21 ILE 27 1HG2 ILE 27 -7.725 -5.590 -4.183 169 HG22 ILE 27 2HG2 ILE 27 -8.415 -4.597 -2.874 170 HG23 ILE 27 3HG2 ILE 27 -6.672 -4.749 -3.069 171 HD11 ILE 27 3HD1 ILE 27 -7.554 -7.665 0.533 172 HD12 ILE 27 1HD1 ILE 27 -6.043 -7.813 -0.400 173 HD13 ILE 27 2HD1 ILE 27 -6.163 -6.686 0.957 174 H ALA 28 H ALA 28 -10.650 -5.916 -3.724 175 HA ALA 28 HA ALA 28 -10.843 -7.860 -5.912 176 HB1 ALA 28 1HB ALA 28 -11.958 -5.002 -5.680 177 HB2 ALA 28 2HB ALA 28 -12.340 -6.196 -6.924 178 HB3 ALA 28 3HB ALA 28 -12.807 -6.496 -5.267 179 H THR 29 H THR 29 -9.874 -4.399 -5.655 180 HA THR 29 HA THR 29 -7.946 -4.790 -7.908 181 HB THR 29 HB THR 29 -9.774 -2.465 -7.220 182 HG1 THR 29 1HG THR 29 -10.560 -4.484 -8.270 183 HG21 THR 29 3HG2 THR 29 -7.673 -2.633 -9.424 184 HG22 THR 29 1HG2 THR 29 -8.115 -1.271 -8.348 185 HG23 THR 29 2HG2 THR 29 -9.144 -1.718 -9.672 186 H LEU 30 H LEU 30 -5.974 -4.819 -7.125 187 HA LEU 30 HA LEU 30 -5.113 -3.058 -4.899 188 HB3 LEU 30 2HB LEU 30 -3.995 -5.811 -5.629 189 HG LEU 30 HG LEU 30 -3.330 -5.900 -3.227 190 HD11 LEU 30 1HD1 LEU 30 -1.679 -5.548 -5.003 191 HD12 LEU 30 2HD1 LEU 30 -1.225 -4.775 -3.485 192 HD13 LEU 30 3HD1 LEU 30 -1.846 -3.784 -4.826 193 HD21 LEU 30 3HD2 LEU 30 -4.649 -4.071 -2.279 194 HD22 LEU 30 1HD2 LEU 30 -3.698 -2.883 -3.192 195 HD23 LEU 30 2HD2 LEU 30 -2.940 -3.869 -1.939 196 H TYR 31 H TYR 31 -3.862 -1.427 -5.852 197 HA TYR 31 HA TYR 31 -1.888 -1.963 -7.933 198 HB3 TYR 31 2HB TYR 31 -4.002 -1.557 -9.221 199 HD1 TYR 31 1HD TYR 31 -5.055 0.153 -6.694 200 HD2 TYR 31 2HD TYR 31 -3.586 1.266 -10.598 201 HE1 TYR 31 1HE TYR 31 -6.461 2.134 -6.637 202 HE2 TYR 31 2HE TYR 31 -5.010 3.295 -10.546 203 HH TYR 31 HH TYR 31 -7.199 3.968 -7.793 204 H VAL 32 H VAL 32 -1.064 0.574 -8.531 205 HA VAL 32 HA VAL 32 -1.047 2.143 -6.018 206 HB VAL 32 HB VAL 32 1.445 1.463 -7.582 207 HG11 VAL 32 1HG1 VAL 32 1.197 2.625 -4.822 208 HG12 VAL 32 2HG1 VAL 32 2.700 2.308 -5.737 209 HG13 VAL 32 3HG1 VAL 32 1.545 3.492 -6.317 210 HG21 VAL 32 3HG2 VAL 32 0.646 0.190 -4.904 211 HG22 VAL 32 1HG2 VAL 32 0.757 -0.685 -6.456 212 HG23 VAL 32 2HG2 VAL 32 2.200 -0.013 -5.712 213 H GLN 33 H GLN 33 -1.340 4.305 -6.536 214 HA GLN 33 HA GLN 33 -1.146 5.064 -9.404 215 HB3 GLN 33 2HB GLN 33 -2.215 7.128 -8.776 216 HG3 GLN 33 2HG GLN 33 -3.912 4.996 -7.495 217 HE21 GLN 33 1HE2 GLN 33 -5.589 6.577 -6.966 218 HE22 GLN 33 2HE2 GLN 33 -6.274 7.637 -8.139 219 H VAL 34 H VAL 34 1.045 4.949 -6.863 220 HA VAL 34 HA VAL 34 2.905 6.779 -8.111 221 HB VAL 34 HB VAL 34 3.185 7.964 -5.747 222 HG11 VAL 34 1HG1 VAL 34 2.145 9.937 -6.536 223 HG12 VAL 34 2HG1 VAL 34 2.796 9.108 -7.956 224 HG13 VAL 34 3HG1 VAL 34 1.049 9.040 -7.589 225 HG21 VAL 34 3HG2 VAL 34 1.150 8.566 -4.636 226 HG22 VAL 34 1HG2 VAL 34 0.139 7.707 -5.816 227 HG23 VAL 34 2HG2 VAL 34 1.211 6.798 -4.733 228 H TYR 35 H TYR 35 4.796 5.625 -7.935 229 HA TYR 35 HA TYR 35 5.281 4.009 -5.455 230 HB3 TYR 35 2HB TYR 35 5.919 3.550 -8.375 231 HD1 TYR 35 2HD TYR 35 6.908 2.018 -5.043 232 HD2 TYR 35 1HD TYR 35 8.110 3.136 -9.031 233 HE1 TYR 35 2HE TYR 35 9.146 1.012 -4.671 234 HE2 TYR 35 1HE TYR 35 10.302 2.042 -8.693 235 HH TYR 35 HH TYR 35 11.807 1.279 -6.410 236 H GLU 36 H GLU 36 6.832 5.021 -4.143 237 HA GLU 36 HA GLU 36 8.502 7.066 -5.374 238 HB3 GLU 36 2HB GLU 36 9.474 6.686 -2.894 239 HG3 GLU 36 2HG GLU 36 8.544 8.736 -3.739 240 H SER 37 H SER 37 10.103 6.395 -6.738 241 HA SER 37 HA SER 37 11.420 3.864 -6.439 242 HB3 SER 37 2HB SER 37 11.052 4.526 -8.618 243 HG SER 37 HG SER 37 10.812 6.464 -9.146 244 H SER 38 H SER 38 11.844 6.322 -4.478 245 HA SER 38 HA SER 38 14.743 5.823 -4.066 246 HB3 SER 38 2HB SER 38 13.586 8.630 -3.873 247 HG SER 38 HG SER 38 16.194 7.491 -3.993 248 H LEU 39 H LEU 39 11.560 6.871 -2.833 249 HA LEU 39 HA LEU 39 12.494 6.763 -0.047 250 HB3 LEU 39 2HB LEU 39 10.595 8.064 0.465 251 HG LEU 39 HG LEU 39 10.797 10.080 -0.614 252 HD11 LEU 39 1HD1 LEU 39 13.066 10.536 -0.747 253 HD12 LEU 39 2HD1 LEU 39 13.469 8.908 -1.331 254 HD13 LEU 39 3HD1 LEU 39 12.898 9.140 0.334 255 HD21 LEU 39 3HD2 LEU 39 11.462 8.779 -3.245 256 HD22 LEU 39 1HD2 LEU 39 11.770 10.486 -2.875 257 HD23 LEU 39 2HD2 LEU 39 10.137 9.852 -2.800 258 H GLU 40 H GLU 40 10.197 5.992 1.246 259 HA GLU 40 HA GLU 40 9.501 3.374 0.108 260 HB3 GLU 40 2HB GLU 40 9.701 2.363 2.282 261 HG3 GLU 40 2HG GLU 40 11.700 2.521 0.607 262 H SER 41 H SER 41 7.705 4.356 -0.645 263 HA SER 41 HA SER 41 5.600 5.263 1.215 264 HB3 SER 41 2HB SER 41 7.043 6.785 -0.990 265 HG SER 41 HG SER 41 5.145 7.550 -1.523 266 H LEU 42 H LEU 42 3.617 4.714 0.511 267 HA LEU 42 HA LEU 42 3.299 3.493 -2.178 268 HB3 LEU 42 2HB LEU 42 2.410 1.966 0.272 269 HG LEU 42 HG LEU 42 2.316 0.035 -1.229 270 HD11 LEU 42 1HD1 LEU 42 0.274 1.511 -1.046 271 HD12 LEU 42 2HD1 LEU 42 0.367 0.409 -2.422 272 HD13 LEU 42 3HD1 LEU 42 0.699 2.131 -2.661 273 HD21 LEU 42 3HD2 LEU 42 2.976 1.840 -3.551 274 HD22 LEU 42 1HD2 LEU 42 2.697 0.074 -3.549 275 HD23 LEU 42 2HD2 LEU 42 4.121 0.750 -2.782 276 H VAL 43 H VAL 43 1.648 4.882 -2.922 277 HA VAL 43 HA VAL 43 -0.842 4.979 -1.299 278 HB VAL 43 HB VAL 43 0.345 7.308 -2.832 279 HG11 VAL 43 1HG1 VAL 43 -2.031 7.563 -2.560 280 HG12 VAL 43 2HG1 VAL 43 -1.953 7.087 -0.847 281 HG13 VAL 43 3HG1 VAL 43 -1.265 8.625 -1.399 282 HG21 VAL 43 3HG2 VAL 43 1.915 6.982 -1.063 283 HG22 VAL 43 1HG2 VAL 43 0.905 8.321 -0.625 284 HG23 VAL 43 2HG2 VAL 43 0.637 6.710 0.117 285 H GLY 44 H GLY 44 -2.799 5.352 -2.560 286 HA2 GLY 44 1HA GLY 44 -3.169 5.415 -5.282 287 HA3 GLY 44 2HA GLY 44 -2.758 3.711 -4.976 288 H GLY 45 H GLY 45 -4.504 4.638 -2.139 289 HA2 GLY 45 1HA GLY 45 -6.269 3.662 -1.438 290 HA3 GLY 45 2HA GLY 45 -7.122 4.185 -2.914 291 H VAL 46 H VAL 46 -8.147 1.949 -1.942 292 HA VAL 46 HA VAL 46 -7.314 -0.202 -3.708 293 HB VAL 46 HB VAL 46 -5.819 -0.497 -1.753 294 HG11 VAL 46 1HG1 VAL 46 -7.082 0.678 -0.002 295 HG12 VAL 46 2HG1 VAL 46 -8.342 -0.587 -0.043 296 HG13 VAL 46 3HG1 VAL 46 -6.704 -0.970 0.484 297 HG21 VAL 46 3HG2 VAL 46 -6.677 -2.508 -2.841 298 HG22 VAL 46 1HG2 VAL 46 -6.272 -2.748 -1.133 299 HG23 VAL 46 2HG2 VAL 46 -7.970 -2.604 -1.606 300 H ILE 47 H ILE 47 -9.005 -1.839 -3.919 301 HA ILE 47 HA ILE 47 -11.613 -1.012 -2.754 302 HB ILE 47 HB ILE 47 -11.186 -1.994 -5.600 303 HG13 ILE 47 2HG1 ILE 47 -10.866 0.761 -4.524 304 HG21 ILE 47 1HG2 ILE 47 -13.545 -0.635 -4.237 305 HG22 ILE 47 2HG2 ILE 47 -13.464 -1.102 -5.942 306 HG23 ILE 47 3HG2 ILE 47 -13.434 -2.349 -4.695 307 HD11 ILE 47 3HD1 ILE 47 -9.110 -0.405 -5.934 308 HD12 ILE 47 1HD1 ILE 47 -10.253 -0.286 -7.295 309 HD13 ILE 47 2HD1 ILE 47 -9.640 1.185 -6.540 310 H PHE 48 H PHE 48 -12.375 -2.649 -1.525 311 HA PHE 48 HA PHE 48 -11.679 -5.490 -1.867 312 HB3 PHE 48 2HB PHE 48 -14.011 -5.370 -0.369 313 HD1 PHE 48 1HD PHE 48 -10.321 -4.661 -0.008 314 HD2 PHE 48 2HD PHE 48 -13.893 -6.447 1.669 315 HE1 PHE 48 1HE PHE 48 -9.021 -5.486 1.925 316 HE2 PHE 48 2HE PHE 48 -12.594 -7.202 3.614 317 HZ PHE 48 HZ PHE 48 -10.188 -6.664 3.776 318 H GLU 49 H GLU 49 -13.348 -7.097 -2.316 319 HA GLU 49 HA GLU 49 -14.877 -6.722 -4.680 320 HB3 GLU 49 2HB GLU 49 -15.833 -8.919 -3.948 321 HG3 GLU 49 2HG GLU 49 -12.801 -8.629 -3.917 322 H ASP 50 H ASP 50 -15.602 -6.361 -1.305 323 HA ASP 50 HA ASP 50 -18.448 -6.521 -1.245 324 HB3 ASP 50 2HB ASP 50 -18.168 -5.103 0.843 325 H GLY 51 H GLY 51 -16.307 -4.060 -2.465 326 HA2 GLY 51 1HA GLY 51 -16.680 -1.925 -3.227 327 HA3 GLY 51 2HA GLY 51 -18.384 -1.985 -2.727 328 H ARG 52 H ARG 52 -15.161 -2.234 -1.206 329 HA ARG 52 HA ARG 52 -15.793 -0.021 0.648 330 HB3 ARG 52 2HB ARG 52 -14.563 -1.128 2.391 331 HG3 ARG 52 2HG ARG 52 -16.686 -2.891 1.180 332 HD3 ARG 52 2HD ARG 52 -15.067 -4.398 2.279 333 HE ARG 52 HE ARG 52 -15.013 -2.617 4.470 334 HH11 ARG 52 1HH1 ARG 52 -15.455 -6.049 3.615 335 HH12 ARG 52 2HH1 ARG 52 -14.649 -6.710 4.970 336 HH21 ARG 52 1HH2 ARG 52 -13.971 -3.512 6.468 337 HH22 ARG 52 2HH2 ARG 52 -13.790 -5.248 6.582 338 H HIS 53 H HIS 53 -14.709 1.531 -0.491 339 HA HIS 53 HA HIS 53 -11.984 0.924 -1.476 340 HB3 HIS 53 2HB HIS 53 -13.911 3.102 -2.258 341 HD1 HIS 53 1HD HIS 53 -13.414 3.788 -4.975 342 HD2 HIS 53 2HD HIS 53 -10.137 2.696 -2.548 343 HE1 HIS 53 1HE HIS 53 -11.321 4.685 -6.095 344 H TYR 54 H TYR 54 -10.299 2.120 -0.642 345 HA TYR 54 HA TYR 54 -10.866 4.285 1.343 346 HB3 TYR 54 2HB TYR 54 -9.194 3.201 2.818 347 HD1 TYR 54 1HD TYR 54 -11.570 3.577 3.674 348 HD2 TYR 54 2HD TYR 54 -10.373 -0.046 1.785 349 HE1 TYR 54 1HE TYR 54 -13.475 2.457 4.784 350 HE2 TYR 54 2HE TYR 54 -12.252 -1.227 2.871 351 HH TYR 54 HH TYR 54 -14.745 0.362 4.642 352 H THR 55 H THR 55 -9.101 5.865 1.472 353 HA THR 55 HA THR 55 -6.988 5.568 -0.692 354 HB THR 55 HB THR 55 -6.515 7.906 -0.224 355 HG1 THR 55 1HG THR 55 -8.874 8.030 1.350 356 HG21 THR 55 3HG2 THR 55 -8.155 7.362 -1.982 357 HG22 THR 55 1HG2 THR 55 -8.516 8.913 -1.206 358 HG23 THR 55 2HG2 THR 55 -9.469 7.474 -0.786 359 H PHE 56 H PHE 56 -6.191 3.723 0.568 360 HA PHE 56 HA PHE 56 -4.676 4.186 2.982 361 HB3 PHE 56 2HB PHE 56 -3.270 2.263 1.737 362 HD1 PHE 56 1HD PHE 56 -6.864 2.516 2.934 363 HD2 PHE 56 2HD PHE 56 -3.131 0.374 3.081 364 HE1 PHE 56 1HE PHE 56 -7.725 1.121 4.787 365 HE2 PHE 56 2HE PHE 56 -3.984 -0.994 4.955 366 HZ PHE 56 HZ PHE 56 -6.279 -0.619 5.823 367 H VAL 57 H VAL 57 -3.166 5.533 3.262 368 HA VAL 57 HA VAL 57 -1.155 6.012 1.169 369 HB VAL 57 HB VAL 57 -2.387 8.011 1.290 370 HG11 VAL 57 1HG1 VAL 57 -3.698 7.787 3.248 371 HG12 VAL 57 2HG1 VAL 57 -2.260 7.908 4.303 372 HG13 VAL 57 3HG1 VAL 57 -2.803 9.311 3.364 373 HG21 VAL 57 3HG2 VAL 57 -0.095 8.508 3.245 374 HG22 VAL 57 1HG2 VAL 57 0.154 8.289 1.513 375 HG23 VAL 57 2HG2 VAL 57 -0.808 9.645 2.084 376 H TYR 58 H TYR 58 0.643 5.120 1.782 377 HA TYR 58 HA TYR 58 1.202 4.668 4.663 378 HB3 TYR 58 2HB TYR 58 2.064 3.072 2.240 379 HD1 TYR 58 2HD TYR 58 1.892 3.031 6.008 380 HD2 TYR 58 1HD TYR 58 4.072 1.825 2.489 381 HE1 TYR 58 2HE TYR 58 3.609 2.030 7.438 382 HE2 TYR 58 1HE TYR 58 5.790 0.780 3.923 383 HH TYR 58 HH TYR 58 6.603 0.627 6.166 384 H GLU 59 H GLU 59 2.606 6.148 5.333 385 HA GLU 59 HA GLU 59 4.522 7.330 3.395 386 HB3 GLU 59 2HB GLU 59 2.509 8.727 3.910 387 HG3 GLU 59 2HG GLU 59 3.848 9.513 6.499 388 H ASN 60 H ASN 60 6.502 6.721 4.000 389 HA ASN 60 HA ASN 60 8.377 6.293 5.181 390 HB3 ASN 60 2HB ASN 60 7.139 7.677 7.577 391 HD21 ASN 60 1HD2 ASN 60 9.333 9.614 7.507 392 HD22 ASN 60 2HD2 ASN 60 10.698 8.729 8.129 393 H GLU 61 H GLU 61 5.868 5.997 7.668 394 HA GLU 61 HA GLU 61 6.501 3.169 8.198 395 HB3 GLU 61 2HB GLU 61 8.294 4.318 9.419 396 HG3 GLU 61 2HG GLU 61 6.025 5.648 10.965 397 H ASP 62 H ASP 62 4.172 5.527 7.874 398 HA ASP 62 HA ASP 62 2.390 4.518 10.032 399 HB3 ASP 62 2HB ASP 62 1.732 7.182 9.516 400 H LEU 63 H LEU 63 0.043 4.782 9.471 401 HA LEU 63 HA LEU 63 -0.426 4.628 6.551 402 HB3 LEU 63 2HB LEU 63 -1.620 2.503 8.325 403 HG LEU 63 HG LEU 63 -0.341 2.207 5.588 404 HD11 LEU 63 1HD1 LEU 63 -2.438 0.503 7.022 405 HD12 LEU 63 2HD1 LEU 63 -0.701 0.166 6.982 406 HD13 LEU 63 3HD1 LEU 63 -1.629 0.132 5.481 407 HD21 LEU 63 3HD2 LEU 63 -3.336 2.594 6.003 408 HD22 LEU 63 1HD2 LEU 63 -2.463 2.256 4.487 409 HD23 LEU 63 2HD2 LEU 63 -2.225 3.786 5.272 410 H VAL 64 H VAL 64 -2.182 5.925 6.126 411 HA VAL 64 HA VAL 64 -4.321 6.145 8.196 412 HB VAL 64 HB VAL 64 -3.341 8.488 6.548 413 HG11 VAL 64 1HG1 VAL 64 -4.936 8.374 9.140 414 HG12 VAL 64 2HG1 VAL 64 -4.517 9.833 8.223 415 HG13 VAL 64 3HG1 VAL 64 -5.646 8.654 7.544 416 HG21 VAL 64 3HG2 VAL 64 -2.244 9.335 8.662 417 HG22 VAL 64 1HG2 VAL 64 -2.421 7.710 9.336 418 HG23 VAL 64 2HG2 VAL 64 -1.405 7.977 7.907 419 H TYR 65 H TYR 65 -6.431 6.334 7.328 420 HA TYR 65 HA TYR 65 -6.947 6.984 4.573 421 HB3 TYR 65 2HB TYR 65 -6.325 4.530 4.432 422 HD1 TYR 65 2HD TYR 65 -6.023 3.288 6.624 423 HD2 TYR 65 1HD TYR 65 -9.891 4.261 5.041 424 HE1 TYR 65 2HE TYR 65 -7.043 1.686 8.185 425 HE2 TYR 65 1HE TYR 65 -10.954 2.628 6.577 426 HH TYR 65 HH TYR 65 -8.997 0.541 8.730 427 H GLU 66 H GLU 66 -9.404 7.085 4.260 428 HA GLU 66 HA GLU 66 -11.010 6.546 6.680 429 HB3 GLU 66 2HB GLU 66 -12.465 8.482 6.023 430 HG3 GLU 66 2HG GLU 66 -9.660 9.418 6.774 431 H GLU 67 H GLU 67 -12.422 7.665 3.575 432 HA GLU 67 HA GLU 67 -12.845 4.923 2.793 433 HB3 GLU 67 2HB GLU 67 -14.367 5.976 4.801 434 HG3 GLU 67 2HG GLU 67 -16.001 6.590 2.398 435 H GLU 68 H GLU 68 -13.899 4.964 0.655 436 HA GLU 68 HA GLU 68 -13.737 7.577 -0.762 437 HB3 GLU 68 2HB GLU 68 -13.107 5.254 -2.396 438 HG3 GLU 68 2HG GLU 68 -10.858 6.783 -2.392 439 H VAL 69 H VAL 69 -15.809 8.019 -0.611 440 HA VAL 69 HA VAL 69 -17.810 6.324 -2.003 441 HB VAL 69 HB VAL 69 -17.965 7.614 0.741 442 HG11 VAL 69 1HG1 VAL 69 -20.248 6.420 -0.874 443 HG12 VAL 69 2HG1 VAL 69 -20.313 6.859 0.847 444 HG13 VAL 69 3HG1 VAL 69 -20.087 8.121 -0.370 445 HG21 VAL 69 3HG2 VAL 69 -18.395 4.757 -0.251 446 HG22 VAL 69 1HG2 VAL 69 -17.017 5.329 0.708 447 HG23 VAL 69 2HG2 VAL 69 -18.629 5.307 1.420 448 H LEU 70 H LEU 70 -17.519 7.580 -3.868 449 HA LEU 70 HA LEU 70 -18.558 10.294 -3.905 450 HB3 LEU 70 2HB LEU 70 -16.333 10.877 -3.366 451 HG LEU 70 HG LEU 70 -15.078 8.825 -3.883 452 HD11 LEU 70 1HD1 LEU 70 -15.402 9.747 -6.774 453 HD12 LEU 70 2HD1 LEU 70 -15.802 8.173 -6.063 454 HD13 LEU 70 3HD1 LEU 70 -14.116 8.632 -6.232 455 HD21 LEU 70 3HD2 LEU 70 -13.043 10.018 -4.644 456 HD22 LEU 70 1HD2 LEU 70 -13.946 10.929 -3.429 457 HD23 LEU 70 2HD2 LEU 70 -14.060 11.409 -5.118 Start of MODEL 14 1 H1 GLY 1 H GLY 1 31.867 0.258 -5.421 2 HA2 GLY 1 1HA GLY 1 31.926 2.582 -4.465 3 HA3 GLY 1 2HA GLY 1 30.163 2.593 -4.769 4 H ASP 2 H ASP 2 29.419 2.562 -2.630 5 HA ASP 2 HA ASP 2 30.090 0.443 -0.741 6 HB3 ASP 2 2HB ASP 2 27.542 2.060 -1.089 7 H ASP 3 H ASP 3 28.580 -1.415 -0.322 8 HA ASP 3 HA ASP 3 27.034 -2.309 -2.652 9 HB3 ASP 3 2HB ASP 3 29.534 -3.087 -2.670 10 H ARG 4 H ARG 4 26.698 -1.600 0.520 11 HA ARG 4 HA ARG 4 25.393 -4.191 1.207 12 HB3 ARG 4 2HB ARG 4 27.598 -4.237 2.226 13 HG3 ARG 4 2HG ARG 4 27.532 -2.552 4.382 14 HD3 ARG 4 2HD ARG 4 28.979 -1.720 1.857 15 HE ARG 4 HE ARG 4 29.041 -0.918 4.612 16 HH11 ARG 4 1HH1 ARG 4 31.352 -1.435 1.951 17 HH12 ARG 4 2HH1 ARG 4 32.359 -0.119 2.418 18 HH21 ARG 4 1HH2 ARG 4 30.353 0.593 5.305 19 HH22 ARG 4 2HH2 ARG 4 31.806 1.086 4.475 20 H LYS 5 H LYS 5 24.180 -1.912 0.086 21 HA LYS 5 HA LYS 5 22.273 -1.416 2.162 22 HB3 LYS 5 2HB LYS 5 22.903 1.090 0.709 23 HG3 LYS 5 2HG LYS 5 21.327 0.742 2.716 24 HD3 LYS 5 2HD LYS 5 24.013 0.769 4.150 25 HE3 LYS 5 2HE LYS 5 22.853 0.789 6.256 26 HZ1 LYS 5 3HZ LYS 5 21.501 2.967 4.831 27 HZ2 LYS 5 1HZ LYS 5 23.127 2.999 5.004 28 HZ3 LYS 5 2HZ LYS 5 22.125 2.974 6.340 29 H LEU 6 H LEU 6 20.712 -2.481 1.129 30 HA LEU 6 HA LEU 6 20.056 -1.820 -1.709 31 HB3 LEU 6 2HB LEU 6 18.829 -3.905 -1.714 32 HG LEU 6 HG LEU 6 21.403 -4.613 -0.239 33 HD11 LEU 6 1HD1 LEU 6 19.751 -6.127 -2.289 34 HD12 LEU 6 2HD1 LEU 6 19.776 -6.434 -0.536 35 HD13 LEU 6 3HD1 LEU 6 21.238 -6.704 -1.498 36 HD21 LEU 6 3HD2 LEU 6 22.122 -3.182 -2.029 37 HD22 LEU 6 1HD2 LEU 6 21.058 -4.025 -3.200 38 HD23 LEU 6 2HD2 LEU 6 22.459 -4.848 -2.488 39 H MET 7 H MET 7 17.790 -1.393 -2.205 40 HA MET 7 HA MET 7 16.190 -0.246 -0.012 41 HB3 MET 7 2HB MET 7 14.772 0.494 -1.957 42 HG3 MET 7 2HG MET 7 16.285 2.043 -3.038 43 HE1 MET 7 3HE MET 7 14.740 1.576 0.140 44 HE2 MET 7 1HE MET 7 14.956 3.264 0.628 45 HE3 MET 7 2HE MET 7 14.414 2.873 -1.019 46 H LYS 8 H LYS 8 13.839 -0.836 -0.151 47 HA LYS 8 HA LYS 8 13.202 -3.645 -0.651 48 HB3 LYS 8 2HB LYS 8 10.801 -2.711 -0.352 49 HG3 LYS 8 2HG LYS 8 12.677 -2.183 1.960 50 HD3 LYS 8 2HD LYS 8 9.857 -3.383 1.841 51 HE3 LYS 8 2HE LYS 8 10.270 -2.782 4.416 52 HZ1 LYS 8 3HZ LYS 8 9.914 -5.066 3.901 53 HZ2 LYS 8 1HZ LYS 8 11.341 -5.016 4.713 54 HZ3 LYS 8 2HZ LYS 8 11.298 -5.222 3.071 55 H THR 9 H THR 9 10.945 -3.670 -2.126 56 HA THR 9 HA THR 9 11.516 -2.456 -4.747 57 HB THR 9 HB THR 9 10.879 -4.737 -5.697 58 HG1 THR 9 1HG THR 9 11.037 -6.517 -4.356 59 HG21 THR 9 3HG2 THR 9 13.128 -5.736 -5.342 60 HG22 THR 9 1HG2 THR 9 13.456 -4.560 -4.066 61 HG23 THR 9 2HG2 THR 9 13.209 -3.994 -5.723 62 H GLN 10 H GLN 10 9.489 -2.585 -6.120 63 HA GLN 10 HA GLN 10 7.146 -1.858 -4.766 64 HB3 GLN 10 2HB GLN 10 7.588 -3.073 -7.525 65 HG3 GLN 10 2HG GLN 10 5.038 -2.701 -6.132 66 HE21 GLN 10 1HE2 GLN 10 3.111 -1.835 -6.836 67 HE22 GLN 10 2HE2 GLN 10 3.081 -0.500 -7.973 68 H GLU 11 H GLU 11 8.274 -5.077 -5.808 69 HA GLU 11 HA GLU 11 6.106 -6.630 -5.106 70 HB3 GLU 11 2HB GLU 11 8.375 -8.079 -4.212 71 HG3 GLU 11 2HG GLU 11 7.202 -7.750 -7.021 72 H GLU 12 H GLU 12 8.771 -5.652 -2.883 73 HA GLU 12 HA GLU 12 7.618 -6.913 -0.592 74 HB3 GLU 12 2HB GLU 12 9.061 -5.355 0.710 75 HG3 GLU 12 2HG GLU 12 10.700 -6.490 -1.567 76 H LEU 13 H LEU 13 7.567 -3.420 -1.592 77 HA LEU 13 HA LEU 13 6.057 -2.641 0.676 78 HB3 LEU 13 2HB LEU 13 5.297 -0.680 -0.812 79 HG LEU 13 HG LEU 13 6.964 0.592 -0.334 80 HD11 LEU 13 1HD1 LEU 13 7.209 -0.814 1.627 81 HD12 LEU 13 2HD1 LEU 13 8.780 -0.214 1.108 82 HD13 LEU 13 3HD1 LEU 13 8.337 -1.889 0.755 83 HD21 LEU 13 3HD2 LEU 13 9.062 -1.193 -1.568 84 HD22 LEU 13 1HD2 LEU 13 9.140 0.544 -1.241 85 HD23 LEU 13 2HD2 LEU 13 8.060 -0.047 -2.495 86 H THR 14 H THR 14 4.956 -3.903 -2.445 87 HA THR 14 HA THR 14 2.172 -3.339 -1.870 88 HB THR 14 HB THR 14 3.370 -5.130 -4.031 89 HG1 THR 14 1HG THR 14 4.318 -3.221 -4.231 90 HG21 THR 14 3HG2 THR 14 0.751 -3.560 -3.861 91 HG22 THR 14 1HG2 THR 14 0.939 -5.322 -3.884 92 HG23 THR 14 2HG2 THR 14 1.360 -4.387 -5.320 93 H GLU 15 H GLU 15 4.304 -6.270 -1.480 94 HA GLU 15 HA GLU 15 2.042 -7.974 -0.787 95 HB3 GLU 15 2HB GLU 15 3.953 -9.366 0.238 96 HG3 GLU 15 2HG GLU 15 4.832 -10.134 -1.914 97 H ILE 16 H ILE 16 4.350 -5.927 1.021 98 HA ILE 16 HA ILE 16 3.537 -6.548 3.656 99 HB ILE 16 HB ILE 16 4.650 -4.049 2.331 100 HG13 ILE 16 2HG1 ILE 16 6.051 -6.200 2.598 101 HG21 ILE 16 1HG2 ILE 16 4.089 -4.482 5.286 102 HG22 ILE 16 2HG2 ILE 16 5.170 -3.216 4.667 103 HG23 ILE 16 3HG2 ILE 16 3.469 -3.188 4.228 104 HD11 ILE 16 3HD1 ILE 16 7.072 -3.891 2.283 105 HD12 ILE 16 1HD1 ILE 16 7.231 -3.805 4.052 106 HD13 ILE 16 2HD1 ILE 16 8.071 -5.068 3.143 107 H VAL 17 H VAL 17 2.296 -4.017 1.403 108 HA VAL 17 HA VAL 17 0.181 -3.247 3.175 109 HB VAL 17 HB VAL 17 0.922 -2.654 0.300 110 HG11 VAL 17 1HG1 VAL 17 -1.622 -1.846 1.732 111 HG12 VAL 17 2HG1 VAL 17 -0.938 -0.908 0.383 112 HG13 VAL 17 3HG1 VAL 17 -1.443 -2.582 0.130 113 HG21 VAL 17 3HG2 VAL 17 2.127 -1.615 2.222 114 HG22 VAL 17 1HG2 VAL 17 1.188 -0.399 1.353 115 HG23 VAL 17 2HG2 VAL 17 0.596 -1.029 2.889 116 H ARG 18 H ARG 18 0.170 -5.553 0.377 117 HA ARG 18 HA ARG 18 -2.630 -5.995 0.426 118 HB3 ARG 18 2HB ARG 18 -0.346 -7.911 -0.224 119 HG3 ARG 18 2HG ARG 18 -3.317 -8.010 -0.967 120 HD3 ARG 18 2HD ARG 18 -0.903 -9.582 -1.899 121 HE ARG 18 HE ARG 18 -2.243 -11.342 -1.435 122 HH11 ARG 18 1HH1 ARG 18 -4.035 -9.209 -3.698 123 HH12 ARG 18 2HH1 ARG 18 -5.574 -9.920 -3.306 124 HH21 ARG 18 1HH2 ARG 18 -4.326 -12.406 -1.155 125 HH22 ARG 18 2HH2 ARG 18 -5.644 -11.964 -2.179 126 H ASP 19 H ASP 19 -0.008 -7.576 2.303 127 HA ASP 19 HA ASP 19 -1.606 -9.466 3.670 128 HB3 ASP 19 2HB ASP 19 0.938 -8.081 4.591 129 H HIS 20 H HIS 20 -1.639 -6.056 4.018 130 HA HIS 20 HA HIS 20 -2.764 -6.162 6.768 131 HB3 HIS 20 2HB HIS 20 -2.404 -3.614 6.566 132 HD1 HIS 20 1HD HIS 20 -0.843 -3.195 8.656 133 HD2 HIS 20 2HD HIS 20 0.313 -6.453 6.197 134 HE1 HIS 20 1HE HIS 20 1.142 -4.259 9.748 135 H PHE 21 H PHE 21 -3.909 -6.094 3.536 136 HA PHE 21 HA PHE 21 -6.509 -5.158 4.592 137 HB3 PHE 21 2HB PHE 21 -6.256 -5.293 1.676 138 HD1 PHE 21 1HD PHE 21 -8.662 -4.904 3.285 139 HD2 PHE 21 2HD PHE 21 -5.665 -2.081 2.103 140 HE1 PHE 21 1HE PHE 21 -10.285 -3.053 3.661 141 HE2 PHE 21 2HE PHE 21 -7.329 -0.239 2.276 142 HZ PHE 21 HZ PHE 21 -9.609 -0.698 3.182 143 H SER 22 H SER 22 -4.770 -7.943 3.207 144 HA SER 22 HA SER 22 -6.909 -9.300 2.034 145 HB3 SER 22 2HB SER 22 -4.655 -9.876 1.587 146 HG SER 22 HG SER 22 -4.134 -10.920 4.107 147 H ASP 23 H ASP 23 -6.464 -8.667 5.331 148 HA ASP 23 HA ASP 23 -8.485 -10.720 6.100 149 HB3 ASP 23 2HB ASP 23 -7.146 -10.088 8.444 150 H MET 24 H MET 24 -8.518 -7.696 5.237 151 HA MET 24 HA MET 24 -10.282 -6.822 7.482 152 HB3 MET 24 2HB MET 24 -9.847 -4.533 6.916 153 HG3 MET 24 2HG MET 24 -7.088 -5.730 7.020 154 HE1 MET 24 3HE MET 24 -8.494 -2.563 6.154 155 HE2 MET 24 1HE MET 24 -7.109 -1.621 6.728 156 HE3 MET 24 2HE MET 24 -6.838 -3.099 5.779 157 H GLY 25 H GLY 25 -10.498 -8.175 4.448 158 HA2 GLY 25 1HA GLY 25 -13.043 -8.394 4.334 159 HA3 GLY 25 2HA GLY 25 -13.013 -6.733 3.767 160 H GLU 26 H GLU 26 -13.967 -7.435 1.786 161 HA GLU 26 HA GLU 26 -12.504 -9.381 0.091 162 HB3 GLU 26 2HB GLU 26 -14.781 -9.370 -1.110 163 HG3 GLU 26 2HG GLU 26 -14.204 -10.482 1.658 164 H ILE 27 H ILE 27 -11.002 -8.182 -0.797 165 HA ILE 27 HA ILE 27 -11.387 -5.553 -1.955 166 HB ILE 27 HB ILE 27 -9.103 -7.476 -2.511 167 HG13 ILE 27 2HG1 ILE 27 -9.433 -7.129 0.020 168 HG21 ILE 27 1HG2 ILE 27 -9.076 -5.571 -3.966 169 HG22 ILE 27 2HG2 ILE 27 -9.439 -4.435 -2.639 170 HG23 ILE 27 3HG2 ILE 27 -7.868 -5.229 -2.746 171 HD11 ILE 27 3HD1 ILE 27 -6.808 -5.965 -0.900 172 HD12 ILE 27 1HD1 ILE 27 -7.173 -6.967 0.513 173 HD13 ILE 27 2HD1 ILE 27 -7.206 -7.687 -1.097 174 H ALA 28 H ALA 28 -11.561 -5.070 -4.126 175 HA ALA 28 HA ALA 28 -12.251 -7.240 -6.035 176 HB1 ALA 28 1HB ALA 28 -13.202 -4.347 -5.948 177 HB2 ALA 28 2HB ALA 28 -13.454 -5.444 -7.301 178 HB3 ALA 28 3HB ALA 28 -14.168 -5.832 -5.743 179 H THR 29 H THR 29 -10.543 -4.114 -5.543 180 HA THR 29 HA THR 29 -8.591 -4.895 -7.618 181 HB THR 29 HB THR 29 -10.020 -2.223 -7.508 182 HG1 THR 29 1HG THR 29 -10.905 -4.164 -8.653 183 HG21 THR 29 3HG2 THR 29 -8.628 -1.564 -9.429 184 HG22 THR 29 1HG2 THR 29 -7.709 -3.084 -9.304 185 HG23 THR 29 2HG2 THR 29 -7.623 -1.862 -8.011 186 H LEU 30 H LEU 30 -6.950 -5.230 -6.324 187 HA LEU 30 HA LEU 30 -6.079 -3.377 -4.210 188 HB3 LEU 30 2HB LEU 30 -5.061 -6.052 -5.261 189 HG LEU 30 HG LEU 30 -3.883 -6.268 -3.103 190 HD11 LEU 30 1HD1 LEU 30 -2.631 -3.980 -4.646 191 HD12 LEU 30 2HD1 LEU 30 -2.621 -5.662 -5.206 192 HD13 LEU 30 3HD1 LEU 30 -1.831 -5.231 -3.683 193 HD21 LEU 30 3HD2 LEU 30 -4.170 -3.293 -2.802 194 HD22 LEU 30 1HD2 LEU 30 -3.231 -4.387 -1.767 195 HD23 LEU 30 2HD2 LEU 30 -4.993 -4.540 -1.823 196 H TYR 31 H TYR 31 -4.552 -1.602 -5.104 197 HA TYR 31 HA TYR 31 -2.725 -2.612 -7.051 198 HB3 TYR 31 2HB TYR 31 -4.704 -1.747 -8.448 199 HD1 TYR 31 1HD TYR 31 -5.435 0.125 -6.074 200 HD2 TYR 31 2HD TYR 31 -3.497 0.866 -9.854 201 HE1 TYR 31 1HE TYR 31 -6.431 2.360 -6.135 202 HE2 TYR 31 2HE TYR 31 -4.395 3.153 -9.874 203 HH TYR 31 HH TYR 31 -6.791 4.278 -7.454 204 H VAL 32 H VAL 32 -1.356 -0.497 -7.598 205 HA VAL 32 HA VAL 32 -1.114 1.146 -5.158 206 HB VAL 32 HB VAL 32 1.152 0.205 -6.953 207 HG11 VAL 32 1HG1 VAL 32 2.666 0.994 -5.196 208 HG12 VAL 32 2HG1 VAL 32 1.868 2.152 -6.195 209 HG13 VAL 32 3HG1 VAL 32 1.278 1.881 -4.514 210 HG21 VAL 32 3HG2 VAL 32 0.485 -0.740 -4.117 211 HG22 VAL 32 1HG2 VAL 32 0.383 -1.748 -5.586 212 HG23 VAL 32 2HG2 VAL 32 1.944 -1.174 -5.027 213 H GLN 33 H GLN 33 -0.881 3.314 -5.755 214 HA GLN 33 HA GLN 33 -0.738 3.930 -8.681 215 HB3 GLN 33 2HB GLN 33 -2.644 5.061 -8.370 216 HG3 GLN 33 2HG GLN 33 -2.044 5.173 -5.421 217 HE21 GLN 33 1HE2 GLN 33 -5.231 5.630 -7.054 218 HE22 GLN 33 2HE2 GLN 33 -5.363 7.290 -6.460 219 H VAL 34 H VAL 34 1.125 3.654 -5.970 220 HA VAL 34 HA VAL 34 2.973 5.840 -6.677 221 HB VAL 34 HB VAL 34 1.731 5.615 -3.956 222 HG11 VAL 34 1HG1 VAL 34 2.864 7.810 -3.515 223 HG12 VAL 34 2HG1 VAL 34 3.977 6.488 -3.842 224 HG13 VAL 34 3HG1 VAL 34 3.637 7.671 -5.109 225 HG21 VAL 34 3HG2 VAL 34 0.679 7.896 -4.383 226 HG22 VAL 34 1HG2 VAL 34 1.010 7.608 -6.106 227 HG23 VAL 34 2HG2 VAL 34 -0.081 6.529 -5.177 228 H TYR 35 H TYR 35 4.597 4.366 -6.992 229 HA TYR 35 HA TYR 35 5.338 2.543 -4.746 230 HB3 TYR 35 2HB TYR 35 5.777 2.445 -7.744 231 HD1 TYR 35 1HD TYR 35 7.228 1.109 -4.483 232 HD2 TYR 35 2HD TYR 35 7.633 1.517 -8.776 233 HE1 TYR 35 1HE TYR 35 9.466 0.105 -4.371 234 HE2 TYR 35 2HE TYR 35 9.912 0.567 -8.631 235 HH TYR 35 HH TYR 35 11.552 -0.148 -5.720 236 H GLU 36 H GLU 36 6.990 3.728 -3.514 237 HA GLU 36 HA GLU 36 8.546 5.661 -5.083 238 HB3 GLU 36 2HB GLU 36 9.090 5.002 -2.191 239 HG3 GLU 36 2HG GLU 36 10.453 6.707 -3.532 240 H SER 37 H SER 37 9.861 4.643 -6.494 241 HA SER 37 HA SER 37 11.177 2.155 -5.981 242 HB3 SER 37 2HB SER 37 11.570 4.282 -8.095 243 HG SER 37 HG SER 37 12.734 3.040 -9.167 244 H SER 38 H SER 38 11.938 5.275 -4.832 245 HA SER 38 HA SER 38 14.710 4.380 -4.179 246 HB3 SER 38 2HB SER 38 15.284 6.740 -3.998 247 HG SER 38 HG SER 38 15.530 6.881 -6.061 248 H LEU 39 H LEU 39 11.753 4.421 -2.523 249 HA LEU 39 HA LEU 39 13.150 4.707 0.036 250 HB3 LEU 39 2HB LEU 39 11.306 6.069 0.979 251 HG LEU 39 HG LEU 39 12.742 7.456 -1.321 252 HD11 LEU 39 1HD1 LEU 39 10.742 8.735 -0.784 253 HD12 LEU 39 2HD1 LEU 39 12.167 9.564 -0.166 254 HD13 LEU 39 3HD1 LEU 39 11.116 8.664 0.947 255 HD21 LEU 39 3HD2 LEU 39 14.163 8.359 0.495 256 HD22 LEU 39 1HD2 LEU 39 14.242 6.600 0.468 257 HD23 LEU 39 2HD2 LEU 39 13.247 7.408 1.688 258 H GLU 40 H GLU 40 10.989 4.173 1.738 259 HA GLU 40 HA GLU 40 9.798 1.734 0.601 260 HB3 GLU 40 2HB GLU 40 9.793 0.730 2.750 261 HG3 GLU 40 2HG GLU 40 11.992 0.721 1.316 262 H SER 41 H SER 41 8.243 3.162 -0.245 263 HA SER 41 HA SER 41 6.154 4.077 1.687 264 HB3 SER 41 2HB SER 41 7.587 5.611 -0.505 265 HG SER 41 HG SER 41 5.408 6.614 1.011 266 H LEU 42 H LEU 42 4.112 3.828 0.934 267 HA LEU 42 HA LEU 42 3.633 2.618 -1.727 268 HB3 LEU 42 2HB LEU 42 2.677 1.274 0.826 269 HG LEU 42 HG LEU 42 2.450 -0.708 -0.619 270 HD11 LEU 42 1HD1 LEU 42 0.439 0.872 -0.361 271 HD12 LEU 42 2HD1 LEU 42 0.413 -0.280 -1.697 272 HD13 LEU 42 3HD1 LEU 42 0.787 1.419 -2.006 273 HD21 LEU 42 3HD2 LEU 42 2.697 -0.715 -2.950 274 HD22 LEU 42 1HD2 LEU 42 4.135 0.102 -2.349 275 HD23 LEU 42 2HD2 LEU 42 2.854 1.067 -3.024 276 H VAL 43 H VAL 43 1.962 3.926 -2.528 277 HA VAL 43 HA VAL 43 -0.308 4.402 -0.669 278 HB VAL 43 HB VAL 43 0.848 6.556 -2.433 279 HG11 VAL 43 1HG1 VAL 43 -1.382 6.652 -0.418 280 HG12 VAL 43 2HG1 VAL 43 -0.633 8.068 -1.182 281 HG13 VAL 43 3HG1 VAL 43 -1.506 6.898 -2.167 282 HG21 VAL 43 3HG2 VAL 43 1.239 6.210 0.527 283 HG22 VAL 43 1HG2 VAL 43 2.483 6.240 -0.737 284 HG23 VAL 43 2HG2 VAL 43 1.575 7.698 -0.392 285 H GLY 44 H GLY 44 -2.312 4.404 -1.570 286 HA2 GLY 44 1HA GLY 44 -3.443 4.779 -3.769 287 HA3 GLY 44 2HA GLY 44 -2.614 3.323 -4.367 288 H GLY 45 H GLY 45 -5.199 4.612 -2.436 289 HA2 GLY 45 1HA GLY 45 -6.332 2.649 -1.006 290 HA3 GLY 45 2HA GLY 45 -7.192 3.699 -2.135 291 H VAL 46 H VAL 46 -8.367 1.516 -1.632 292 HA VAL 46 HA VAL 46 -8.051 -0.248 -3.973 293 HB VAL 46 HB VAL 46 -8.412 -2.183 -2.302 294 HG11 VAL 46 1HG1 VAL 46 -6.137 -2.524 -1.866 295 HG12 VAL 46 2HG1 VAL 46 -6.146 -1.516 -3.337 296 HG13 VAL 46 3HG1 VAL 46 -5.762 -0.795 -1.767 297 HG21 VAL 46 3HG2 VAL 46 -7.980 -1.914 -0.019 298 HG22 VAL 46 1HG2 VAL 46 -7.256 -0.298 -0.195 299 HG23 VAL 46 2HG2 VAL 46 -8.988 -0.495 -0.385 300 H ILE 47 H ILE 47 -9.877 -1.564 -4.369 301 HA ILE 47 HA ILE 47 -12.425 -0.209 -3.583 302 HB ILE 47 HB ILE 47 -11.646 -1.502 -6.241 303 HG13 ILE 47 2HG1 ILE 47 -11.315 1.280 -5.238 304 HG21 ILE 47 1HG2 ILE 47 -14.034 -1.645 -5.814 305 HG22 ILE 47 2HG2 ILE 47 -14.094 0.094 -5.436 306 HG23 ILE 47 3HG2 ILE 47 -13.721 -0.463 -7.082 307 HD11 ILE 47 3HD1 ILE 47 -9.685 1.506 -6.964 308 HD12 ILE 47 1HD1 ILE 47 -9.412 -0.064 -6.192 309 HD13 ILE 47 2HD1 ILE 47 -10.235 0.025 -7.767 310 H PHE 48 H PHE 48 -13.803 -1.613 -2.524 311 HA PHE 48 HA PHE 48 -13.216 -4.492 -2.391 312 HB3 PHE 48 2HB PHE 48 -15.608 -4.248 -1.180 313 HD1 PHE 48 1HD PHE 48 -11.995 -3.889 -0.704 314 HD2 PHE 48 2HD PHE 48 -15.840 -4.111 1.229 315 HE1 PHE 48 1HE PHE 48 -10.899 -4.493 1.418 316 HE2 PHE 48 2HE PHE 48 -14.726 -4.532 3.395 317 HZ PHE 48 HZ PHE 48 -12.249 -4.661 3.495 318 H GLU 49 H GLU 49 -14.988 -6.035 -2.686 319 HA GLU 49 HA GLU 49 -16.285 -5.973 -5.238 320 HB3 GLU 49 2HB GLU 49 -17.558 -7.908 -4.110 321 HG3 GLU 49 2HG GLU 49 -15.359 -9.295 -3.899 322 H ASP 50 H ASP 50 -17.035 -4.562 -2.294 323 HA ASP 50 HA ASP 50 -19.936 -4.835 -2.491 324 HB3 ASP 50 2HB ASP 50 -18.326 -3.950 -0.106 325 H GLY 51 H GLY 51 -18.187 -2.407 -3.618 326 HA2 GLY 51 1HA GLY 51 -18.587 -0.200 -4.005 327 HA3 GLY 51 2HA GLY 51 -20.123 -0.326 -3.139 328 H ARG 52 H ARG 52 -16.716 -0.720 -2.186 329 HA ARG 52 HA ARG 52 -16.950 1.403 -0.157 330 HB3 ARG 52 2HB ARG 52 -16.166 0.083 1.649 331 HG3 ARG 52 2HG ARG 52 -18.392 -1.471 0.294 332 HD3 ARG 52 2HD ARG 52 -17.300 -2.862 1.996 333 HE ARG 52 HE ARG 52 -17.389 -0.557 3.681 334 HH11 ARG 52 1HH1 ARG 52 -18.180 -4.067 3.810 335 HH12 ARG 52 2HH1 ARG 52 -17.869 -4.170 5.505 336 HH21 ARG 52 1HH2 ARG 52 -17.156 -0.804 6.062 337 HH22 ARG 52 2HH2 ARG 52 -17.387 -2.393 6.717 338 H HIS 53 H HIS 53 -15.625 2.553 -1.538 339 HA HIS 53 HA HIS 53 -12.969 1.497 -2.325 340 HB3 HIS 53 2HB HIS 53 -14.240 4.221 -2.809 341 HD1 HIS 53 1HD HIS 53 -13.476 4.971 -5.525 342 HD2 HIS 53 2HD HIS 53 -10.779 2.828 -3.077 343 HE1 HIS 53 1HE HIS 53 -11.178 5.303 -6.497 344 H TYR 54 H TYR 54 -11.216 1.896 -1.027 345 HA TYR 54 HA TYR 54 -11.399 3.955 1.122 346 HB3 TYR 54 2HB TYR 54 -10.199 2.257 2.559 347 HD1 TYR 54 2HD TYR 54 -12.436 3.589 3.245 348 HD2 TYR 54 1HD TYR 54 -12.340 -0.362 1.612 349 HE1 TYR 54 2HE TYR 54 -14.523 3.119 4.421 350 HE2 TYR 54 1HE TYR 54 -14.351 -0.963 2.905 351 HH TYR 54 HH TYR 54 -16.434 1.321 4.375 352 H THR 55 H THR 55 -9.595 5.206 1.206 353 HA THR 55 HA THR 55 -7.387 4.923 -0.700 354 HB THR 55 HB THR 55 -8.063 7.119 -0.429 355 HG1 THR 55 1HG THR 55 -6.248 8.095 0.378 356 HG21 THR 55 3HG2 THR 55 -7.980 6.606 2.543 357 HG22 THR 55 1HG2 THR 55 -9.411 6.952 1.539 358 HG23 THR 55 2HG2 THR 55 -8.211 8.210 1.778 359 H PHE 56 H PHE 56 -5.112 4.829 0.156 360 HA PHE 56 HA PHE 56 -4.645 3.722 2.752 361 HB3 PHE 56 2HB PHE 56 -3.473 1.948 0.698 362 HD1 PHE 56 1HD PHE 56 -6.195 1.816 3.346 363 HD2 PHE 56 2HD PHE 56 -2.525 0.168 1.861 364 HE1 PHE 56 1HE PHE 56 -6.246 0.120 5.139 365 HE2 PHE 56 2HE PHE 56 -2.590 -1.572 3.677 366 HZ PHE 56 HZ PHE 56 -4.436 -1.579 5.312 367 H VAL 57 H VAL 57 -2.910 4.798 3.410 368 HA VAL 57 HA VAL 57 -0.793 5.470 1.472 369 HB VAL 57 HB VAL 57 -2.308 7.382 1.555 370 HG11 VAL 57 1HG1 VAL 57 -2.814 8.658 3.462 371 HG12 VAL 57 2HG1 VAL 57 -3.180 6.995 3.908 372 HG13 VAL 57 3HG1 VAL 57 -1.667 7.743 4.470 373 HG21 VAL 57 3HG2 VAL 57 0.016 7.980 1.257 374 HG22 VAL 57 1HG2 VAL 57 -0.729 9.164 2.304 375 HG23 VAL 57 2HG2 VAL 57 0.324 7.919 3.008 376 H TYR 58 H TYR 58 0.862 4.435 2.184 377 HA TYR 58 HA TYR 58 1.372 4.111 5.096 378 HB3 TYR 58 2HB TYR 58 2.571 2.634 2.736 379 HD1 TYR 58 2HD TYR 58 2.067 2.588 6.500 380 HD2 TYR 58 1HD TYR 58 4.348 1.193 3.121 381 HE1 TYR 58 2HE TYR 58 3.371 1.154 7.995 382 HE2 TYR 58 1HE TYR 58 5.685 -0.256 4.623 383 HH TYR 58 HH TYR 58 5.066 -0.416 8.164 384 H GLU 59 H GLU 59 2.322 6.016 5.633 385 HA GLU 59 HA GLU 59 4.541 7.039 3.952 386 HB3 GLU 59 2HB GLU 59 2.981 8.750 4.498 387 HG3 GLU 59 2HG GLU 59 2.748 7.518 7.092 388 H ASN 60 H ASN 60 5.990 5.578 4.308 389 HA ASN 60 HA ASN 60 7.646 4.404 5.141 390 HB3 ASN 60 2HB ASN 60 7.856 6.211 7.544 391 HD21 ASN 60 1HD2 ASN 60 8.847 3.585 7.682 392 HD22 ASN 60 2HD2 ASN 60 10.546 3.547 7.341 393 H GLU 61 H GLU 61 5.786 5.181 8.070 394 HA GLU 61 HA GLU 61 5.378 2.291 8.566 395 HB3 GLU 61 2HB GLU 61 6.090 2.250 10.822 396 HG3 GLU 61 2HG GLU 61 8.286 3.736 9.384 397 H ASP 62 H ASP 62 4.071 5.493 8.578 398 HA ASP 62 HA ASP 62 1.893 4.831 10.481 399 HB3 ASP 62 2HB ASP 62 1.330 7.161 8.939 400 H LEU 63 H LEU 63 0.399 3.366 9.600 401 HA LEU 63 HA LEU 63 -0.189 3.595 6.692 402 HB3 LEU 63 2HB LEU 63 -1.234 1.303 8.335 403 HG LEU 63 HG LEU 63 0.103 1.401 5.606 404 HD11 LEU 63 1HD1 LEU 63 -1.745 -0.689 6.816 405 HD12 LEU 63 2HD1 LEU 63 0.024 -0.798 6.753 406 HD13 LEU 63 3HD1 LEU 63 -0.903 -0.785 5.250 407 HD21 LEU 63 3HD2 LEU 63 -2.892 1.491 6.097 408 HD22 LEU 63 1HD2 LEU 63 -2.072 1.307 4.531 409 HD23 LEU 63 2HD2 LEU 63 -1.906 2.806 5.408 410 H VAL 64 H VAL 64 -1.681 5.249 6.518 411 HA VAL 64 HA VAL 64 -4.063 5.073 8.306 412 HB VAL 64 HB VAL 64 -2.769 6.941 8.919 413 HG11 VAL 64 1HG1 VAL 64 -2.312 8.864 7.509 414 HG12 VAL 64 2HG1 VAL 64 -1.523 7.425 6.845 415 HG13 VAL 64 3HG1 VAL 64 -3.051 8.056 6.134 416 HG21 VAL 64 3HG2 VAL 64 -4.375 8.751 8.767 417 HG22 VAL 64 1HG2 VAL 64 -5.173 8.013 7.383 418 HG23 VAL 64 2HG2 VAL 64 -5.235 7.225 8.979 419 H TYR 65 H TYR 65 -6.024 6.009 7.329 420 HA TYR 65 HA TYR 65 -6.530 5.835 4.548 421 HB3 TYR 65 2HB TYR 65 -6.185 3.523 4.774 422 HD1 TYR 65 2HD TYR 65 -9.126 3.807 7.132 423 HD2 TYR 65 1HD TYR 65 -5.192 2.183 6.387 424 HE1 TYR 65 2HE TYR 65 -9.438 2.185 8.972 425 HE2 TYR 65 1HE TYR 65 -5.484 0.592 8.244 426 HH TYR 65 HH TYR 65 -6.934 -0.266 9.811 427 H GLU 66 H GLU 66 -9.012 5.929 4.288 428 HA GLU 66 HA GLU 66 -10.592 6.346 6.583 429 HB3 GLU 66 2HB GLU 66 -10.012 8.557 6.719 430 HG3 GLU 66 2HG GLU 66 -10.470 10.064 4.568 431 H GLU 67 H GLU 67 -11.262 7.578 3.278 432 HA GLU 67 HA GLU 67 -12.842 5.369 2.387 433 HB3 GLU 67 2HB GLU 67 -14.181 7.962 3.243 434 HG3 GLU 67 2HG GLU 67 -15.209 5.128 2.692 435 H GLU 68 H GLU 68 -13.380 5.787 0.164 436 HA GLU 68 HA GLU 68 -12.210 8.255 -1.048 437 HB3 GLU 68 2HB GLU 68 -12.252 6.702 -3.136 438 HG3 GLU 68 2HG GLU 68 -10.057 5.548 -2.316 439 H VAL 69 H VAL 69 -13.737 9.627 -1.367 440 HA VAL 69 HA VAL 69 -16.411 8.676 -2.203 441 HB VAL 69 HB VAL 69 -17.388 10.431 -0.832 442 HG11 VAL 69 1HG1 VAL 69 -15.673 8.538 0.819 443 HG12 VAL 69 2HG1 VAL 69 -17.286 9.130 1.206 444 HG13 VAL 69 3HG1 VAL 69 -17.069 7.989 -0.125 445 HG21 VAL 69 3HG2 VAL 69 -15.547 12.000 -0.411 446 HG22 VAL 69 1HG2 VAL 69 -16.157 11.359 1.114 447 HG23 VAL 69 2HG2 VAL 69 -14.630 10.742 0.457 448 H LEU 70 H LEU 70 -16.665 9.180 -4.107 449 HA LEU 70 HA LEU 70 -16.280 11.936 -5.059 450 HB3 LEU 70 2HB LEU 70 -14.806 10.423 -6.405 451 HG LEU 70 HG LEU 70 -17.450 9.039 -7.132 452 HD11 LEU 70 1HD1 LEU 70 -16.424 9.785 -9.183 453 HD12 LEU 70 2HD1 LEU 70 -16.205 8.038 -9.020 454 HD13 LEU 70 3HD1 LEU 70 -14.851 9.145 -8.693 455 HD21 LEU 70 3HD2 LEU 70 -16.267 7.842 -5.377 456 HD22 LEU 70 1HD2 LEU 70 -14.727 7.998 -6.248 457 HD23 LEU 70 2HD2 LEU 70 -16.042 6.983 -6.881 Start of MODEL 15 1 H1 GLY 1 H GLY 1 32.964 -3.876 -2.894 2 HA2 GLY 1 1HA GLY 1 33.143 -2.823 -0.668 3 HA3 GLY 1 2HA GLY 1 32.990 -1.605 -1.961 4 H ASP 2 H ASP 2 31.677 -0.011 -1.258 5 HA ASP 2 HA ASP 2 29.585 -0.311 0.632 6 HB3 ASP 2 2HB ASP 2 29.311 2.139 -0.003 7 H ASP 3 H ASP 3 28.888 -2.070 -1.352 8 HA ASP 3 HA ASP 3 26.577 -0.857 -2.737 9 HB3 ASP 3 2HB ASP 3 28.468 -0.763 -4.254 10 H ARG 4 H ARG 4 25.887 -1.968 -0.609 11 HA ARG 4 HA ARG 4 25.018 -4.738 -1.166 12 HB3 ARG 4 2HB ARG 4 26.935 -5.310 0.019 13 HG3 ARG 4 2HG ARG 4 26.739 -2.666 1.347 14 HD3 ARG 4 2HD ARG 4 26.591 -3.583 3.413 15 HE ARG 4 HE ARG 4 28.537 -5.791 2.996 16 HH11 ARG 4 1HH1 ARG 4 25.286 -4.730 4.117 17 HH12 ARG 4 2HH1 ARG 4 24.956 -6.258 4.855 18 HH21 ARG 4 1HH2 ARG 4 27.944 -7.859 3.961 19 HH22 ARG 4 2HH2 ARG 4 26.569 -7.849 5.012 20 H LYS 5 H LYS 5 23.862 -1.867 -0.945 21 HA LYS 5 HA LYS 5 21.777 -2.466 0.936 22 HB3 LYS 5 2HB LYS 5 23.246 0.206 0.917 23 HG3 LYS 5 2HG LYS 5 21.390 -1.099 2.963 24 HD3 LYS 5 2HD LYS 5 21.132 1.485 3.456 25 HE3 LYS 5 2HE LYS 5 23.492 -0.178 4.396 26 HZ1 LYS 5 3HZ LYS 5 23.996 2.012 4.889 27 HZ2 LYS 5 1HZ LYS 5 23.360 1.450 6.293 28 HZ3 LYS 5 2HZ LYS 5 22.456 2.416 5.335 29 H LEU 6 H LEU 6 20.212 -2.632 -0.512 30 HA LEU 6 HA LEU 6 19.588 -0.336 -2.304 31 HB3 LEU 6 2HB LEU 6 18.429 -1.957 -3.722 32 HG LEU 6 HG LEU 6 21.181 -3.148 -3.126 33 HD11 LEU 6 1HD1 LEU 6 19.875 -4.580 -4.535 34 HD12 LEU 6 2HD1 LEU 6 21.032 -3.752 -5.579 35 HD13 LEU 6 3HD1 LEU 6 19.341 -3.223 -5.547 36 HD21 LEU 6 3HD2 LEU 6 21.498 -0.777 -3.581 37 HD22 LEU 6 1HD2 LEU 6 20.435 -0.874 -4.998 38 HD23 LEU 6 2HD2 LEU 6 22.005 -1.710 -4.986 39 H MET 7 H MET 7 17.178 -0.129 -2.628 40 HA MET 7 HA MET 7 15.881 0.121 -0.029 41 HB3 MET 7 2HB MET 7 14.193 1.368 -1.366 42 HG3 MET 7 2HG MET 7 15.510 3.191 -2.183 43 HE1 MET 7 3HE MET 7 15.127 3.448 1.705 44 HE2 MET 7 1HE MET 7 14.301 3.542 0.142 45 HE3 MET 7 2HE MET 7 14.577 1.956 0.902 46 H LYS 8 H LYS 8 13.359 -0.201 -0.294 47 HA LYS 8 HA LYS 8 12.739 -2.982 -0.713 48 HB3 LYS 8 2HB LYS 8 10.301 -2.127 -0.514 49 HG3 LYS 8 2HG LYS 8 12.032 -1.274 1.788 50 HD3 LYS 8 2HD LYS 8 9.407 -2.808 1.807 51 HE3 LYS 8 2HE LYS 8 10.972 -1.173 3.839 52 HZ1 LYS 8 3HZ LYS 8 8.528 -0.977 4.148 53 HZ2 LYS 8 1HZ LYS 8 9.350 -1.602 5.403 54 HZ3 LYS 8 2HZ LYS 8 8.469 -2.601 4.465 55 H THR 9 H THR 9 10.628 -3.366 -2.210 56 HA THR 9 HA THR 9 11.118 -2.272 -4.916 57 HB THR 9 HB THR 9 10.344 -4.653 -5.587 58 HG1 THR 9 1HG THR 9 10.879 -6.232 -3.945 59 HG21 THR 9 3HG2 THR 9 12.654 -3.926 -5.920 60 HG22 THR 9 1HG2 THR 9 12.627 -5.604 -5.364 61 HG23 THR 9 2HG2 THR 9 13.051 -4.302 -4.234 62 H GLN 10 H GLN 10 9.105 -2.648 -6.309 63 HA GLN 10 HA GLN 10 6.810 -1.489 -5.078 64 HB3 GLN 10 2HB GLN 10 6.756 -3.159 -7.628 65 HG3 GLN 10 2HG GLN 10 5.546 -1.013 -8.446 66 HE21 GLN 10 1HE2 GLN 10 3.994 -1.987 -5.359 67 HE22 GLN 10 2HE2 GLN 10 2.709 -2.843 -6.072 68 H GLU 11 H GLU 11 7.748 -4.797 -5.894 69 HA GLU 11 HA GLU 11 5.541 -6.270 -5.171 70 HB3 GLU 11 2HB GLU 11 8.161 -7.390 -4.261 71 HG3 GLU 11 2HG GLU 11 6.090 -8.131 -6.381 72 H GLU 12 H GLU 12 8.264 -5.291 -2.932 73 HA GLU 12 HA GLU 12 6.922 -6.425 -0.679 74 HB3 GLU 12 2HB GLU 12 8.463 -4.920 0.658 75 HG3 GLU 12 2HG GLU 12 9.998 -6.520 -1.410 76 H LEU 13 H LEU 13 6.884 -2.973 -1.913 77 HA LEU 13 HA LEU 13 5.438 -2.028 0.316 78 HB3 LEU 13 2HB LEU 13 4.698 -0.129 -1.307 79 HG LEU 13 HG LEU 13 7.609 -0.853 -1.842 80 HD11 LEU 13 1HD1 LEU 13 8.001 1.475 -1.815 81 HD12 LEU 13 2HD1 LEU 13 6.467 1.772 -0.966 82 HD13 LEU 13 3HD1 LEU 13 6.447 1.277 -2.645 83 HD21 LEU 13 3HD2 LEU 13 6.656 0.188 0.854 84 HD22 LEU 13 1HD2 LEU 13 8.338 0.177 0.262 85 HD23 LEU 13 2HD2 LEU 13 7.505 -1.346 0.538 86 H THR 14 H THR 14 4.225 -3.512 -2.650 87 HA THR 14 HA THR 14 1.452 -3.481 -1.910 88 HB THR 14 HB THR 14 3.144 -5.046 -3.865 89 HG1 THR 14 1HG THR 14 1.096 -3.867 -4.974 90 HG21 THR 14 3HG2 THR 14 1.159 -6.093 -4.816 91 HG22 THR 14 1HG2 THR 14 0.171 -5.503 -3.455 92 HG23 THR 14 2HG2 THR 14 1.457 -6.694 -3.189 93 H GLU 15 H GLU 15 3.892 -6.155 -1.522 94 HA GLU 15 HA GLU 15 2.024 -7.962 -0.450 95 HB3 GLU 15 2HB GLU 15 4.066 -9.223 0.302 96 HG3 GLU 15 2HG GLU 15 5.277 -9.137 -2.025 97 H ILE 16 H ILE 16 3.934 -5.467 1.205 98 HA ILE 16 HA ILE 16 3.405 -6.314 3.910 99 HB ILE 16 HB ILE 16 3.734 -3.529 2.673 100 HG13 ILE 16 2HG1 ILE 16 5.781 -5.189 2.609 101 HG21 ILE 16 1HG2 ILE 16 4.294 -2.735 4.979 102 HG22 ILE 16 2HG2 ILE 16 2.643 -3.325 4.877 103 HG23 ILE 16 3HG2 ILE 16 3.895 -4.355 5.596 104 HD11 ILE 16 3HD1 ILE 16 6.304 -2.505 3.935 105 HD12 ILE 16 1HD1 ILE 16 7.256 -3.332 2.684 106 HD13 ILE 16 2HD1 ILE 16 5.716 -2.589 2.277 107 H VAL 17 H VAL 17 1.773 -3.813 1.877 108 HA VAL 17 HA VAL 17 -0.308 -3.326 3.746 109 HB VAL 17 HB VAL 17 -0.141 -2.819 0.742 110 HG11 VAL 17 1HG1 VAL 17 -1.825 -1.077 1.061 111 HG12 VAL 17 2HG1 VAL 17 -2.497 -2.634 1.577 112 HG13 VAL 17 3HG1 VAL 17 -1.955 -1.471 2.786 113 HG21 VAL 17 3HG2 VAL 17 0.527 -0.528 1.399 114 HG22 VAL 17 1HG2 VAL 17 0.464 -0.988 3.116 115 HG23 VAL 17 2HG2 VAL 17 1.669 -1.707 2.039 116 H ARG 18 H ARG 18 0.009 -5.645 1.101 117 HA ARG 18 HA ARG 18 -2.630 -6.689 1.040 118 HB3 ARG 18 2HB ARG 18 0.009 -8.165 0.652 119 HG3 ARG 18 2HG ARG 18 -2.465 -8.443 -1.052 120 HD3 ARG 18 2HD ARG 18 -0.089 -10.229 -0.284 121 HE ARG 18 HE ARG 18 -2.493 -11.238 -0.992 122 HH11 ARG 18 1HH1 ARG 18 0.780 -11.182 -2.440 123 HH12 ARG 18 2HH1 ARG 18 0.529 -12.643 -3.328 124 HH21 ARG 18 1HH2 ARG 18 -2.786 -13.147 -2.254 125 HH22 ARG 18 2HH2 ARG 18 -1.711 -13.517 -3.567 126 H ASP 19 H ASP 19 0.294 -8.027 2.763 127 HA ASP 19 HA ASP 19 -1.147 -10.027 4.113 128 HB3 ASP 19 2HB ASP 19 1.357 -8.661 5.159 129 H HIS 20 H HIS 20 -0.677 -6.661 4.879 130 HA HIS 20 HA HIS 20 -1.646 -6.886 7.646 131 HB3 HIS 20 2HB HIS 20 -1.812 -4.400 7.500 132 HD1 HIS 20 1HD HIS 20 0.861 -6.965 7.237 133 HD2 HIS 20 2HD HIS 20 0.571 -2.776 7.435 134 HE1 HIS 20 1HE HIS 20 3.128 -6.122 8.051 135 H PHE 21 H PHE 21 -3.132 -5.557 4.588 136 HA PHE 21 HA PHE 21 -5.569 -5.076 5.951 137 HB3 PHE 21 2HB PHE 21 -5.068 -5.291 2.958 138 HD1 PHE 21 2HD PHE 21 -7.276 -3.959 5.669 139 HD2 PHE 21 1HD PHE 21 -6.312 -3.802 1.471 140 HE1 PHE 21 2HE PHE 21 -9.112 -2.368 5.315 141 HE2 PHE 21 1HE PHE 21 -8.183 -2.237 1.125 142 HZ PHE 21 HZ PHE 21 -9.608 -1.515 3.041 143 H SER 22 H SER 22 -4.436 -7.904 4.232 144 HA SER 22 HA SER 22 -6.811 -9.016 3.320 145 HB3 SER 22 2HB SER 22 -4.329 -10.352 4.197 146 HG SER 22 HG SER 22 -5.726 -11.930 3.583 147 H ASP 23 H ASP 23 -6.043 -8.545 6.659 148 HA ASP 23 HA ASP 23 -7.850 -10.761 7.455 149 HB3 ASP 23 2HB ASP 23 -5.474 -10.263 8.541 150 H MET 24 H MET 24 -8.185 -7.597 6.580 151 HA MET 24 HA MET 24 -10.289 -7.059 8.620 152 HB3 MET 24 2HB MET 24 -9.887 -4.710 8.311 153 HG3 MET 24 2HG MET 24 -7.283 -6.150 8.815 154 HE1 MET 24 3HE MET 24 -7.029 -3.295 7.735 155 HE2 MET 24 1HE MET 24 -5.812 -2.738 8.903 156 HE3 MET 24 2HE MET 24 -5.781 -4.420 8.330 157 H GLY 25 H GLY 25 -10.363 -8.457 5.808 158 HA2 GLY 25 1HA GLY 25 -12.803 -8.370 5.042 159 HA3 GLY 25 2HA GLY 25 -12.407 -6.736 4.510 160 H GLU 26 H GLU 26 -12.918 -7.483 2.279 161 HA GLU 26 HA GLU 26 -10.960 -9.386 1.134 162 HB3 GLU 26 2HB GLU 26 -12.841 -10.382 -0.105 163 HG3 GLU 26 2HG GLU 26 -13.087 -10.453 2.927 164 H ILE 27 H ILE 27 -9.724 -8.232 0.042 165 HA ILE 27 HA ILE 27 -10.158 -5.877 -1.477 166 HB ILE 27 HB ILE 27 -8.062 -8.064 -1.257 167 HG13 ILE 27 2HG1 ILE 27 -8.447 -6.116 0.481 168 HG21 ILE 27 1HG2 ILE 27 -7.864 -7.419 -3.545 169 HG22 ILE 27 2HG2 ILE 27 -7.919 -5.702 -3.147 170 HG23 ILE 27 3HG2 ILE 27 -6.531 -6.698 -2.669 171 HD11 ILE 27 3HD1 ILE 27 -6.078 -6.067 1.033 172 HD12 ILE 27 1HD1 ILE 27 -6.553 -7.706 0.575 173 HD13 ILE 27 2HD1 ILE 27 -5.646 -6.683 -0.572 174 H ALA 28 H ALA 28 -10.972 -5.674 -3.479 175 HA ALA 28 HA ALA 28 -11.286 -8.082 -5.207 176 HB1 ALA 28 1HB ALA 28 -12.300 -6.469 -6.846 177 HB2 ALA 28 2HB ALA 28 -13.206 -6.599 -5.345 178 HB3 ALA 28 3HB ALA 28 -12.181 -5.182 -5.645 179 H THR 29 H THR 29 -10.102 -4.716 -5.551 180 HA THR 29 HA THR 29 -7.616 -5.694 -6.866 181 HB THR 29 HB THR 29 -9.206 -3.195 -7.488 182 HG1 THR 29 1HG THR 29 -9.381 -5.798 -8.489 183 HG21 THR 29 3HG2 THR 29 -6.847 -4.491 -8.929 184 HG22 THR 29 1HG2 THR 29 -6.834 -2.959 -8.028 185 HG23 THR 29 2HG2 THR 29 -7.785 -3.090 -9.505 186 H LEU 30 H LEU 30 -6.044 -5.439 -5.385 187 HA LEU 30 HA LEU 30 -5.754 -2.764 -4.111 188 HB3 LEU 30 2HB LEU 30 -4.176 -5.339 -3.653 189 HG LEU 30 HG LEU 30 -3.817 -2.479 -2.779 190 HD11 LEU 30 1HD1 LEU 30 -3.012 -3.064 -0.572 191 HD12 LEU 30 2HD1 LEU 30 -3.436 -4.775 -0.829 192 HD13 LEU 30 3HD1 LEU 30 -4.714 -3.543 -0.741 193 HD21 LEU 30 3HD2 LEU 30 -2.000 -3.547 -4.109 194 HD22 LEU 30 1HD2 LEU 30 -1.899 -4.841 -2.885 195 HD23 LEU 30 2HD2 LEU 30 -1.440 -3.164 -2.491 196 H TYR 31 H TYR 31 -4.219 -1.436 -4.943 197 HA TYR 31 HA TYR 31 -2.010 -2.435 -6.365 198 HB3 TYR 31 2HB TYR 31 -3.774 -2.343 -8.216 199 HD1 TYR 31 1HD TYR 31 -5.119 -0.087 -6.425 200 HD2 TYR 31 2HD TYR 31 -2.941 0.020 -10.155 201 HE1 TYR 31 1HE TYR 31 -6.494 1.746 -7.136 202 HE2 TYR 31 2HE TYR 31 -4.322 1.953 -10.874 203 HH TYR 31 HH TYR 31 -6.880 3.314 -8.750 204 H VAL 32 H VAL 32 -0.715 -0.435 -7.086 205 HA VAL 32 HA VAL 32 -1.136 1.891 -5.486 206 HB VAL 32 HB VAL 32 0.689 0.999 -4.708 207 HG11 VAL 32 1HG1 VAL 32 1.467 -0.023 -7.448 208 HG12 VAL 32 2HG1 VAL 32 2.534 -0.104 -5.988 209 HG13 VAL 32 3HG1 VAL 32 1.004 -0.983 -5.978 210 HG21 VAL 32 3HG2 VAL 32 2.044 2.481 -6.855 211 HG22 VAL 32 1HG2 VAL 32 1.371 3.107 -5.286 212 HG23 VAL 32 2HG2 VAL 32 2.726 2.004 -5.291 213 H GLN 33 H GLN 33 -1.300 3.809 -6.433 214 HA GLN 33 HA GLN 33 -0.964 3.976 -9.397 215 HB3 GLN 33 2HB GLN 33 -1.982 6.216 -9.116 216 HG3 GLN 33 2HG GLN 33 -3.753 4.035 -7.963 217 HE21 GLN 33 1HE2 GLN 33 -5.615 5.111 -7.303 218 HE22 GLN 33 2HE2 GLN 33 -6.316 6.464 -8.156 219 H VAL 34 H VAL 34 0.945 4.098 -6.530 220 HA VAL 34 HA VAL 34 2.857 5.813 -7.899 221 HB VAL 34 HB VAL 34 1.594 7.683 -7.381 222 HG11 VAL 34 1HG1 VAL 34 0.678 8.237 -5.173 223 HG12 VAL 34 2HG1 VAL 34 -0.067 6.789 -5.830 224 HG13 VAL 34 3HG1 VAL 34 1.197 6.629 -4.588 225 HG21 VAL 34 3HG2 VAL 34 4.008 7.831 -6.733 226 HG22 VAL 34 1HG2 VAL 34 2.943 8.989 -5.912 227 HG23 VAL 34 2HG2 VAL 34 3.534 7.559 -5.050 228 H TYR 35 H TYR 35 4.405 4.452 -7.620 229 HA TYR 35 HA TYR 35 5.081 3.326 -4.973 230 HB3 TYR 35 2HB TYR 35 5.851 2.732 -7.863 231 HD1 TYR 35 1HD TYR 35 6.365 0.864 -4.712 232 HD2 TYR 35 2HD TYR 35 8.232 2.812 -8.060 233 HE1 TYR 35 1HE TYR 35 8.587 0.029 -3.955 234 HE2 TYR 35 2HE TYR 35 10.435 1.931 -7.357 235 HH TYR 35 HH TYR 35 11.632 0.749 -5.643 236 H GLU 36 H GLU 36 6.568 4.340 -3.804 237 HA GLU 36 HA GLU 36 8.257 6.472 -4.887 238 HB3 GLU 36 2HB GLU 36 9.060 6.065 -2.328 239 HG3 GLU 36 2HG GLU 36 8.149 8.178 -3.192 240 H SER 37 H SER 37 10.031 5.843 -6.039 241 HA SER 37 HA SER 37 11.331 3.306 -5.730 242 HB3 SER 37 2HB SER 37 11.254 4.423 -7.865 243 HG SER 37 HG SER 37 11.959 6.477 -8.157 244 H SER 38 H SER 38 11.695 6.231 -3.928 245 HA SER 38 HA SER 38 14.489 5.551 -3.162 246 HB3 SER 38 2HB SER 38 14.877 7.904 -3.010 247 HG SER 38 HG SER 38 14.228 8.624 -5.102 248 H LEU 39 H LEU 39 11.415 5.312 -1.960 249 HA LEU 39 HA LEU 39 12.176 5.627 0.831 250 HB3 LEU 39 2HB LEU 39 10.023 6.754 1.356 251 HG LEU 39 HG LEU 39 11.590 8.355 -0.706 252 HD11 LEU 39 1HD1 LEU 39 10.439 10.317 0.234 253 HD12 LEU 39 2HD1 LEU 39 9.440 9.249 1.251 254 HD13 LEU 39 3HD1 LEU 39 9.316 9.180 -0.533 255 HD21 LEU 39 3HD2 LEU 39 12.474 9.524 1.324 256 HD22 LEU 39 1HD2 LEU 39 12.938 7.821 1.276 257 HD23 LEU 39 2HD2 LEU 39 11.628 8.349 2.346 258 H GLU 40 H GLU 40 9.629 4.866 1.822 259 HA GLU 40 HA GLU 40 8.926 2.448 0.333 260 HB3 GLU 40 2HB GLU 40 8.850 1.108 2.300 261 HG3 GLU 40 2HG GLU 40 11.239 1.554 1.203 262 H SER 41 H SER 41 7.200 3.709 -0.445 263 HA SER 41 HA SER 41 5.101 4.407 1.491 264 HB3 SER 41 2HB SER 41 5.977 6.177 -0.809 265 HG SER 41 HG SER 41 3.912 6.654 -0.251 266 H LEU 42 H LEU 42 3.055 3.948 0.711 267 HA LEU 42 HA LEU 42 2.763 3.052 -2.110 268 HB3 LEU 42 2HB LEU 42 1.552 1.454 0.161 269 HG LEU 42 HG LEU 42 1.822 1.209 -2.856 270 HD11 LEU 42 1HD1 LEU 42 1.276 -1.061 -0.953 271 HD12 LEU 42 2HD1 LEU 42 2.637 -0.826 -2.083 272 HD13 LEU 42 3HD1 LEU 42 1.030 -1.124 -2.718 273 HD21 LEU 42 3HD2 LEU 42 -0.584 0.894 -0.971 274 HD22 LEU 42 1HD2 LEU 42 -0.634 0.448 -2.684 275 HD23 LEU 42 2HD2 LEU 42 -0.388 2.121 -2.233 276 H VAL 43 H VAL 43 1.241 4.583 -2.876 277 HA VAL 43 HA VAL 43 -1.297 4.861 -1.330 278 HB VAL 43 HB VAL 43 0.278 7.005 -2.778 279 HG11 VAL 43 1HG1 VAL 43 -2.024 7.374 -3.462 280 HG12 VAL 43 2HG1 VAL 43 -2.564 7.213 -1.772 281 HG13 VAL 43 3HG1 VAL 43 -1.568 8.587 -2.274 282 HG21 VAL 43 3HG2 VAL 43 -0.890 7.143 -0.009 283 HG22 VAL 43 1HG2 VAL 43 0.780 6.598 -0.311 284 HG23 VAL 43 2HG2 VAL 43 0.287 8.231 -0.748 285 H GLY 44 H GLY 44 -3.199 5.233 -2.873 286 HA2 GLY 44 1HA GLY 44 -3.317 5.297 -5.482 287 HA3 GLY 44 2HA GLY 44 -2.785 3.621 -5.338 288 H GLY 45 H GLY 45 -4.832 4.039 -2.686 289 HA2 GLY 45 1HA GLY 45 -6.997 3.594 -2.406 290 HA3 GLY 45 2HA GLY 45 -7.323 3.697 -4.119 291 H VAL 46 H VAL 46 -8.546 1.835 -2.491 292 HA VAL 46 HA VAL 46 -7.623 -0.778 -3.505 293 HB VAL 46 HB VAL 46 -8.241 -1.549 -1.010 294 HG11 VAL 46 1HG1 VAL 46 -5.522 -0.525 -1.802 295 HG12 VAL 46 2HG1 VAL 46 -5.916 -1.643 -0.486 296 HG13 VAL 46 3HG1 VAL 46 -6.257 -2.131 -2.131 297 HG21 VAL 46 3HG2 VAL 46 -7.424 -0.122 0.738 298 HG22 VAL 46 1HG2 VAL 46 -6.990 1.151 -0.408 299 HG23 VAL 46 2HG2 VAL 46 -8.698 0.718 -0.143 300 H ILE 47 H ILE 47 -9.293 -1.577 -4.554 301 HA ILE 47 HA ILE 47 -12.062 -0.735 -3.959 302 HB ILE 47 HB ILE 47 -10.894 -2.294 -6.319 303 HG13 ILE 47 2HG1 ILE 47 -11.314 0.700 -5.989 304 HG21 ILE 47 1HG2 ILE 47 -13.586 -0.957 -5.865 305 HG22 ILE 47 2HG2 ILE 47 -13.037 -1.597 -7.418 306 HG23 ILE 47 3HG2 ILE 47 -13.272 -2.697 -6.067 307 HD11 ILE 47 3HD1 ILE 47 -9.278 0.835 -7.445 308 HD12 ILE 47 1HD1 ILE 47 -8.928 0.099 -5.890 309 HD13 ILE 47 2HD1 ILE 47 -9.101 -0.923 -7.336 310 H PHE 48 H PHE 48 -13.614 -2.272 -3.278 311 HA PHE 48 HA PHE 48 -12.637 -5.009 -2.592 312 HB3 PHE 48 2HB PHE 48 -14.773 -4.606 -1.018 313 HD1 PHE 48 2HD PHE 48 -11.190 -3.366 -1.199 314 HD2 PHE 48 1HD PHE 48 -14.360 -5.090 1.186 315 HE1 PHE 48 2HE PHE 48 -9.589 -3.888 0.556 316 HE2 PHE 48 1HE PHE 48 -12.738 -5.417 3.022 317 HZ PHE 48 HZ PHE 48 -10.384 -4.817 2.746 318 H GLU 49 H GLU 49 -14.212 -6.685 -2.420 319 HA GLU 49 HA GLU 49 -15.712 -7.065 -4.751 320 HB3 GLU 49 2HB GLU 49 -16.545 -9.081 -3.443 321 HG3 GLU 49 2HG GLU 49 -13.546 -8.557 -3.751 322 H ASP 50 H ASP 50 -16.770 -5.890 -1.561 323 HA ASP 50 HA ASP 50 -19.545 -5.496 -2.611 324 HB3 ASP 50 2HB ASP 50 -20.194 -5.020 -0.285 325 H GLY 51 H GLY 51 -17.298 -4.004 -3.561 326 HA2 GLY 51 1HA GLY 51 -17.311 -2.009 -4.556 327 HA3 GLY 51 2HA GLY 51 -18.746 -1.565 -3.639 328 H ARG 52 H ARG 52 -16.674 -2.083 -1.162 329 HA ARG 52 HA ARG 52 -16.354 0.698 -0.605 330 HB3 ARG 52 2HB ARG 52 -14.737 -0.054 1.107 331 HG3 ARG 52 2HG ARG 52 -17.409 -1.490 0.898 332 HD3 ARG 52 2HD ARG 52 -15.370 -2.309 2.595 333 HE ARG 52 HE ARG 52 -16.099 0.043 3.750 334 HH11 ARG 52 1HH1 ARG 52 -16.584 -3.291 4.723 335 HH12 ARG 52 2HH1 ARG 52 -17.068 -2.917 6.355 336 HH21 ARG 52 1HH2 ARG 52 -16.367 0.569 5.969 337 HH22 ARG 52 2HH2 ARG 52 -16.787 -0.665 7.093 338 H HIS 53 H HIS 53 -15.140 2.134 -1.534 339 HA HIS 53 HA HIS 53 -12.421 1.328 -2.452 340 HB3 HIS 53 2HB HIS 53 -13.843 3.863 -3.294 341 HD1 HIS 53 1HD HIS 53 -12.859 4.326 -6.016 342 HD2 HIS 53 2HD HIS 53 -10.476 2.262 -3.204 343 HE1 HIS 53 1HE HIS 53 -10.592 4.232 -6.978 344 H TYR 54 H TYR 54 -10.868 1.893 -1.056 345 HA TYR 54 HA TYR 54 -11.206 4.362 0.580 346 HB3 TYR 54 2HB TYR 54 -9.856 3.143 2.325 347 HD1 TYR 54 1HD TYR 54 -12.219 4.431 2.486 348 HD2 TYR 54 2HD TYR 54 -11.712 0.228 2.368 349 HE1 TYR 54 1HE TYR 54 -14.524 4.174 3.378 350 HE2 TYR 54 2HE TYR 54 -13.909 -0.107 3.377 351 HH TYR 54 HH TYR 54 -16.313 2.479 3.385 352 H THR 55 H THR 55 -9.212 5.571 0.960 353 HA THR 55 HA THR 55 -7.112 5.109 -1.057 354 HB THR 55 HB THR 55 -6.568 7.458 -0.263 355 HG1 THR 55 1HG THR 55 -7.970 8.488 0.963 356 HG21 THR 55 3HG2 THR 55 -9.334 7.127 -1.424 357 HG22 THR 55 1HG2 THR 55 -7.834 6.965 -2.379 358 HG23 THR 55 2HG2 THR 55 -8.267 8.519 -1.624 359 H PHE 56 H PHE 56 -5.532 3.718 -0.215 360 HA PHE 56 HA PHE 56 -4.822 3.971 2.597 361 HB3 PHE 56 2HB PHE 56 -2.677 2.711 1.713 362 HD1 PHE 56 2HD PHE 56 -4.610 2.403 3.946 363 HD2 PHE 56 1HD PHE 56 -4.067 0.142 0.305 364 HE1 PHE 56 2HE PHE 56 -5.536 0.413 5.055 365 HE2 PHE 56 1HE PHE 56 -4.913 -1.886 1.484 366 HZ PHE 56 HZ PHE 56 -5.679 -1.711 3.831 367 H VAL 57 H VAL 57 -2.822 4.637 3.361 368 HA VAL 57 HA VAL 57 -0.940 5.855 1.597 369 HB VAL 57 HB VAL 57 -2.218 7.832 2.115 370 HG11 VAL 57 1HG1 VAL 57 -2.614 8.717 4.326 371 HG12 VAL 57 2HG1 VAL 57 -3.235 7.066 4.294 372 HG13 VAL 57 3HG1 VAL 57 -1.685 7.405 5.072 373 HG21 VAL 57 3HG2 VAL 57 -0.411 9.232 2.971 374 HG22 VAL 57 1HG2 VAL 57 0.336 7.839 3.743 375 HG23 VAL 57 2HG2 VAL 57 0.293 7.957 1.976 376 H TYR 58 H TYR 58 0.510 4.432 1.982 377 HA TYR 58 HA TYR 58 1.036 3.489 4.754 378 HB3 TYR 58 2HB TYR 58 2.197 2.446 2.154 379 HD1 TYR 58 1HD TYR 58 1.191 0.821 5.293 380 HD2 TYR 58 2HD TYR 58 4.537 2.220 2.997 381 HE1 TYR 58 1HE TYR 58 2.702 -0.343 6.853 382 HE2 TYR 58 2HE TYR 58 6.071 0.970 4.479 383 HH TYR 58 HH TYR 58 4.983 -1.265 7.032 384 H GLU 59 H GLU 59 2.269 4.938 5.797 385 HA GLU 59 HA GLU 59 4.140 6.648 4.212 386 HB3 GLU 59 2HB GLU 59 2.146 7.818 4.790 387 HG3 GLU 59 2HG GLU 59 2.749 7.811 7.740 388 H ASN 60 H ASN 60 5.956 5.504 4.587 389 HA ASN 60 HA ASN 60 7.900 4.889 5.522 390 HB3 ASN 60 2HB ASN 60 6.898 5.961 8.186 391 HD21 ASN 60 1HD2 ASN 60 9.614 4.198 6.614 392 HD22 ASN 60 2HD2 ASN 60 10.488 4.256 8.117 393 H GLU 61 H GLU 61 5.211 4.416 7.781 394 HA GLU 61 HA GLU 61 5.461 1.554 7.865 395 HB3 GLU 61 2HB GLU 61 7.419 1.980 9.160 396 HG3 GLU 61 2HG GLU 61 5.643 3.444 11.137 397 H ASP 62 H ASP 62 3.727 4.471 8.443 398 HA ASP 62 HA ASP 62 1.704 3.243 10.181 399 HB3 ASP 62 2HB ASP 62 0.706 5.588 8.938 400 H LEU 63 H LEU 63 -0.402 2.695 9.416 401 HA LEU 63 HA LEU 63 -0.887 2.483 6.502 402 HB3 LEU 63 2HB LEU 63 -0.743 0.260 8.553 403 HG LEU 63 HG LEU 63 -0.986 -1.287 6.547 404 HD11 LEU 63 1HD1 LEU 63 -3.667 -0.283 7.457 405 HD12 LEU 63 2HD1 LEU 63 -2.543 -1.006 8.605 406 HD13 LEU 63 3HD1 LEU 63 -3.037 -1.961 7.225 407 HD21 LEU 63 3HD2 LEU 63 -2.834 0.842 5.427 408 HD22 LEU 63 1HD2 LEU 63 -2.668 -0.791 4.841 409 HD23 LEU 63 2HD2 LEU 63 -1.302 0.329 4.684 410 H VAL 64 H VAL 64 -2.700 3.811 6.396 411 HA VAL 64 HA VAL 64 -5.024 3.259 8.077 412 HB VAL 64 HB VAL 64 -4.007 6.094 7.891 413 HG11 VAL 64 1HG1 VAL 64 -5.251 6.320 10.036 414 HG12 VAL 64 2HG1 VAL 64 -6.285 5.706 8.757 415 HG13 VAL 64 3HG1 VAL 64 -5.649 4.587 9.976 416 HG21 VAL 64 3HG2 VAL 64 -2.047 5.139 8.901 417 HG22 VAL 64 1HG2 VAL 64 -2.961 5.988 10.132 418 HG23 VAL 64 2HG2 VAL 64 -3.023 4.216 10.069 419 H TYR 65 H TYR 65 -6.933 4.731 7.216 420 HA TYR 65 HA TYR 65 -6.662 5.915 4.617 421 HB3 TYR 65 2HB TYR 65 -6.851 3.493 4.015 422 HD1 TYR 65 2HD TYR 65 -10.451 4.242 4.447 423 HD2 TYR 65 1HD TYR 65 -7.175 1.785 5.772 424 HE1 TYR 65 2HE TYR 65 -12.064 2.666 5.488 425 HE2 TYR 65 1HE TYR 65 -8.765 0.237 6.856 426 HH TYR 65 HH TYR 65 -11.500 0.844 7.806 427 H GLU 66 H GLU 66 -8.920 6.750 3.894 428 HA GLU 66 HA GLU 66 -10.934 6.854 6.087 429 HB3 GLU 66 2HB GLU 66 -11.640 9.048 5.181 430 HG3 GLU 66 2HG GLU 66 -8.865 9.225 6.372 431 H GLU 67 H GLU 67 -11.159 7.984 2.677 432 HA GLU 67 HA GLU 67 -13.158 5.996 1.882 433 HB3 GLU 67 2HB GLU 67 -13.712 8.936 2.233 434 HG3 GLU 67 2HG GLU 67 -15.157 7.461 0.650 435 H GLU 68 H GLU 68 -13.356 6.072 -0.469 436 HA GLU 68 HA GLU 68 -11.673 8.081 -1.860 437 HB3 GLU 68 2HB GLU 68 -12.473 5.497 -3.160 438 HG3 GLU 68 2HG GLU 68 -9.868 5.833 -3.718 439 H VAL 69 H VAL 69 -13.131 9.674 -2.349 440 HA VAL 69 HA VAL 69 -15.395 9.044 -4.065 441 HB VAL 69 HB VAL 69 -16.216 8.477 -1.831 442 HG11 VAL 69 1HG1 VAL 69 -15.737 11.337 -0.955 443 HG12 VAL 69 2HG1 VAL 69 -16.539 10.019 -0.054 444 HG13 VAL 69 3HG1 VAL 69 -14.809 9.922 -0.414 445 HG21 VAL 69 3HG2 VAL 69 -17.621 11.018 -2.633 446 HG22 VAL 69 1HG2 VAL 69 -17.708 9.467 -3.518 447 HG23 VAL 69 2HG2 VAL 69 -18.265 9.595 -1.840 448 H LEU 70 H LEU 70 -12.966 10.515 -4.323 449 HA LEU 70 HA LEU 70 -13.067 13.189 -3.432 450 HB3 LEU 70 2HB LEU 70 -11.343 12.365 -5.780 451 HG LEU 70 HG LEU 70 -10.910 13.791 -3.111 452 HD11 LEU 70 1HD1 LEU 70 -8.781 12.806 -5.035 453 HD12 LEU 70 2HD1 LEU 70 -9.069 12.225 -3.386 454 HD13 LEU 70 3HD1 LEU 70 -8.496 13.880 -3.648 455 HD21 LEU 70 3HD2 LEU 70 -11.642 15.284 -4.878 456 HD22 LEU 70 1HD2 LEU 70 -10.412 14.652 -5.991 457 HD23 LEU 70 2HD2 LEU 70 -9.950 15.587 -4.535 Start of MODEL 16 1 H1 GLY 1 H GLY 1 31.787 -6.540 2.868 2 HA2 GLY 1 1HA GLY 1 32.590 -4.201 3.035 3 HA3 GLY 1 2HA GLY 1 32.169 -4.028 1.317 4 H ASP 2 H ASP 2 30.992 -2.215 2.865 5 HA ASP 2 HA ASP 2 28.558 -3.238 4.108 6 HB3 ASP 2 2HB ASP 2 30.476 -2.544 5.517 7 H ASP 3 H ASP 3 29.215 -1.669 1.310 8 HA ASP 3 HA ASP 3 27.033 0.332 1.663 9 HB3 ASP 3 2HB ASP 3 29.100 0.514 -0.532 10 H ARG 4 H ARG 4 25.875 -1.703 1.625 11 HA ARG 4 HA ARG 4 24.933 -2.372 -1.102 12 HB3 ARG 4 2HB ARG 4 24.832 -4.793 -0.168 13 HG3 ARG 4 2HG ARG 4 27.539 -3.574 -0.817 14 HD3 ARG 4 2HD ARG 4 27.873 -5.778 0.063 15 HE ARG 4 HE ARG 4 26.232 -7.265 -0.161 16 HH11 ARG 4 1HH1 ARG 4 26.552 -5.716 -3.373 17 HH12 ARG 4 2HH1 ARG 4 25.616 -6.887 -4.195 18 HH21 ARG 4 1HH2 ARG 4 24.932 -8.816 -1.281 19 HH22 ARG 4 2HH2 ARG 4 24.727 -8.738 -2.999 20 H LYS 5 H LYS 5 23.923 -0.450 0.686 21 HA LYS 5 HA LYS 5 21.895 -1.682 2.304 22 HB3 LYS 5 2HB LYS 5 22.751 1.220 2.092 23 HG3 LYS 5 2HG LYS 5 21.016 -0.354 4.057 24 HD3 LYS 5 2HD LYS 5 22.407 2.316 4.380 25 HE3 LYS 5 2HE LYS 5 20.235 1.079 6.127 26 HZ1 LYS 5 3HZ LYS 5 20.570 3.056 7.445 27 HZ2 LYS 5 1HZ LYS 5 21.718 3.625 6.445 28 HZ3 LYS 5 2HZ LYS 5 22.007 2.272 7.337 29 H LEU 6 H LEU 6 20.498 -2.409 0.748 30 HA LEU 6 HA LEU 6 19.501 -0.541 -1.335 31 HB3 LEU 6 2HB LEU 6 18.808 -2.558 -2.505 32 HG LEU 6 HG LEU 6 21.585 -2.985 -1.293 33 HD11 LEU 6 1HD1 LEU 6 20.702 -5.060 -2.191 34 HD12 LEU 6 2HD1 LEU 6 22.085 -4.454 -3.108 35 HD13 LEU 6 3HD1 LEU 6 20.438 -4.267 -3.759 36 HD21 LEU 6 3HD2 LEU 6 21.485 -0.866 -2.473 37 HD22 LEU 6 1HD2 LEU 6 20.767 -1.665 -3.894 38 HD23 LEU 6 2HD2 LEU 6 22.444 -2.035 -3.387 39 H MET 7 H MET 7 17.349 0.061 -1.374 40 HA MET 7 HA MET 7 15.745 -0.372 1.014 41 HB3 MET 7 2HB MET 7 15.729 1.814 -0.097 42 HG3 MET 7 2HG MET 7 14.522 0.304 -2.449 43 HE1 MET 7 3HE MET 7 12.399 1.145 -3.182 44 HE2 MET 7 1HE MET 7 12.161 1.891 -1.586 45 HE3 MET 7 2HE MET 7 11.845 2.822 -3.069 46 H LYS 8 H LYS 8 13.286 -0.704 0.337 47 HA LYS 8 HA LYS 8 12.884 -3.455 -0.441 48 HB3 LYS 8 2HB LYS 8 10.513 -2.887 -0.075 49 HG3 LYS 8 2HG LYS 8 12.147 -1.428 2.021 50 HD3 LYS 8 2HD LYS 8 9.668 -3.135 2.411 51 HE3 LYS 8 2HE LYS 8 11.096 -0.984 4.047 52 HZ1 LYS 8 3HZ LYS 8 8.691 -1.171 4.596 53 HZ2 LYS 8 1HZ LYS 8 9.672 -1.604 5.823 54 HZ3 LYS 8 2HZ LYS 8 8.909 -2.759 4.994 55 H THR 9 H THR 9 10.898 -3.760 -2.175 56 HA THR 9 HA THR 9 11.313 -1.990 -4.515 57 HB THR 9 HB THR 9 11.064 -4.103 -5.916 58 HG1 THR 9 1HG THR 9 12.095 -5.546 -3.773 59 HG21 THR 9 3HG2 THR 9 13.426 -4.745 -5.710 60 HG22 THR 9 1HG2 THR 9 13.540 -3.832 -4.184 61 HG23 THR 9 2HG2 THR 9 13.210 -2.984 -5.707 62 H GLN 10 H GLN 10 9.550 -2.565 -6.182 63 HA GLN 10 HA GLN 10 6.993 -1.893 -5.373 64 HB3 GLN 10 2HB GLN 10 7.583 -3.694 -7.743 65 HG3 GLN 10 2HG GLN 10 6.305 -1.956 -8.987 66 HE21 GLN 10 1HE2 GLN 10 3.998 -1.558 -6.618 67 HE22 GLN 10 2HE2 GLN 10 2.924 -2.799 -7.116 68 H GLU 11 H GLU 11 8.421 -5.157 -5.638 69 HA GLU 11 HA GLU 11 6.008 -6.580 -5.231 70 HB3 GLU 11 2HB GLU 11 8.599 -7.694 -4.155 71 HG3 GLU 11 2HG GLU 11 6.577 -8.599 -6.238 72 H GLU 12 H GLU 12 8.558 -5.466 -2.974 73 HA GLU 12 HA GLU 12 7.422 -6.662 -0.656 74 HB3 GLU 12 2HB GLU 12 8.978 -4.991 0.491 75 HG3 GLU 12 2HG GLU 12 10.323 -6.588 -1.728 76 H LEU 13 H LEU 13 7.282 -3.279 -1.901 77 HA LEU 13 HA LEU 13 5.744 -2.194 0.245 78 HB3 LEU 13 2HB LEU 13 4.894 -0.622 -1.870 79 HG LEU 13 HG LEU 13 6.202 0.626 -0.509 80 HD11 LEU 13 1HD1 LEU 13 8.562 0.142 0.174 81 HD12 LEU 13 2HD1 LEU 13 8.411 -1.474 -0.549 82 HD13 LEU 13 3HD1 LEU 13 7.398 -0.982 0.838 83 HD21 LEU 13 3HD2 LEU 13 6.845 0.958 -2.928 84 HD22 LEU 13 1HD2 LEU 13 8.279 -0.067 -2.616 85 HD23 LEU 13 2HD2 LEU 13 8.080 1.481 -1.798 86 H THR 14 H THR 14 4.732 -3.947 -2.670 87 HA THR 14 HA THR 14 1.929 -3.689 -2.136 88 HB THR 14 HB THR 14 3.459 -5.772 -3.782 89 HG1 THR 14 1HG THR 14 3.990 -4.027 -4.761 90 HG21 THR 14 3HG2 THR 14 1.421 -5.951 -5.114 91 HG22 THR 14 1HG2 THR 14 0.612 -4.764 -4.077 92 HG23 THR 14 2HG2 THR 14 1.052 -6.351 -3.428 93 H GLU 15 H GLU 15 4.281 -6.380 -1.475 94 HA GLU 15 HA GLU 15 2.465 -8.182 -0.354 95 HB3 GLU 15 2HB GLU 15 4.649 -8.817 1.037 96 HG3 GLU 15 2HG GLU 15 5.711 -9.730 -1.096 97 H ILE 16 H ILE 16 4.269 -5.568 1.308 98 HA ILE 16 HA ILE 16 3.347 -6.082 3.910 99 HB ILE 16 HB ILE 16 3.944 -3.431 2.468 100 HG13 ILE 16 2HG1 ILE 16 5.816 -5.297 2.856 101 HG21 ILE 16 1HG2 ILE 16 4.313 -2.431 4.750 102 HG22 ILE 16 2HG2 ILE 16 2.634 -2.871 4.464 103 HG23 ILE 16 3HG2 ILE 16 3.660 -3.909 5.469 104 HD11 ILE 16 3HD1 ILE 16 6.206 -2.335 3.477 105 HD12 ILE 16 1HD1 ILE 16 7.520 -3.521 3.305 106 HD13 ILE 16 2HD1 ILE 16 6.471 -3.160 1.942 107 H VAL 17 H VAL 17 1.930 -3.732 1.564 108 HA VAL 17 HA VAL 17 -0.250 -3.121 3.285 109 HB VAL 17 HB VAL 17 0.116 -2.757 0.273 110 HG11 VAL 17 1HG1 VAL 17 -1.598 -0.915 0.592 111 HG12 VAL 17 2HG1 VAL 17 -2.239 -2.569 0.729 112 HG13 VAL 17 3HG1 VAL 17 -1.934 -1.640 2.198 113 HG21 VAL 17 3HG2 VAL 17 0.577 -0.916 2.674 114 HG22 VAL 17 1HG2 VAL 17 1.809 -1.605 1.597 115 HG23 VAL 17 2HG2 VAL 17 0.675 -0.413 0.971 116 H ARG 18 H ARG 18 0.150 -5.597 0.794 117 HA ARG 18 HA ARG 18 -2.578 -6.395 0.560 118 HB3 ARG 18 2HB ARG 18 -0.020 -8.084 0.348 119 HG3 ARG 18 2HG ARG 18 -2.458 -8.328 -1.418 120 HD3 ARG 18 2HD ARG 18 -0.172 -10.169 -0.582 121 HE ARG 18 HE ARG 18 -2.491 -11.238 -0.687 122 HH11 ARG 18 1HH1 ARG 18 -0.024 -11.435 -3.265 123 HH12 ARG 18 2HH1 ARG 18 -0.880 -12.665 -4.116 124 HH21 ARG 18 1HH2 ARG 18 -3.559 -12.821 -1.801 125 HH22 ARG 18 2HH2 ARG 18 -2.860 -13.530 -3.230 126 H ASP 19 H ASP 19 0.153 -7.744 2.539 127 HA ASP 19 HA ASP 19 -1.467 -9.696 3.798 128 HB3 ASP 19 2HB ASP 19 1.024 -8.567 5.104 129 H HIS 20 H HIS 20 -0.779 -6.392 4.500 130 HA HIS 20 HA HIS 20 -1.738 -6.318 7.250 131 HB3 HIS 20 2HB HIS 20 -2.297 -3.831 6.416 132 HD1 HIS 20 1HD HIS 20 -1.206 -2.758 8.383 133 HD2 HIS 20 2HD HIS 20 1.352 -5.370 6.297 134 HE1 HIS 20 1HE HIS 20 1.153 -2.466 9.389 135 H PHE 21 H PHE 21 -3.283 -5.481 4.080 136 HA PHE 21 HA PHE 21 -5.749 -4.982 5.446 137 HB3 PHE 21 2HB PHE 21 -5.740 -5.314 2.467 138 HD1 PHE 21 2HD PHE 21 -7.776 -4.579 5.014 139 HD2 PHE 21 1HD PHE 21 -5.924 -2.405 1.789 140 HE1 PHE 21 2HE PHE 21 -9.474 -2.821 5.246 141 HE2 PHE 21 1HE PHE 21 -7.680 -0.638 2.057 142 HZ PHE 21 HZ PHE 21 -9.412 -0.836 3.777 143 H SER 22 H SER 22 -4.508 -7.950 3.826 144 HA SER 22 HA SER 22 -6.910 -9.048 3.013 145 HB3 SER 22 2HB SER 22 -4.995 -10.110 2.300 146 HG SER 22 HG SER 22 -4.073 -10.740 4.888 147 H ASP 23 H ASP 23 -5.787 -8.768 6.319 148 HA ASP 23 HA ASP 23 -7.545 -10.840 7.365 149 HB3 ASP 23 2HB ASP 23 -6.094 -8.686 8.911 150 H MET 24 H MET 24 -8.420 -8.024 6.052 151 HA MET 24 HA MET 24 -10.584 -7.430 8.010 152 HB3 MET 24 2HB MET 24 -10.467 -5.098 7.354 153 HG3 MET 24 2HG MET 24 -7.687 -6.067 8.135 154 HE1 MET 24 3HE MET 24 -7.468 -3.195 6.817 155 HE2 MET 24 1HE MET 24 -6.558 -2.438 8.129 156 HE3 MET 24 2HE MET 24 -6.246 -4.138 7.706 157 H GLY 25 H GLY 25 -10.282 -9.111 5.269 158 HA2 GLY 25 1HA GLY 25 -12.625 -9.772 4.542 159 HA3 GLY 25 2HA GLY 25 -12.820 -8.087 4.062 160 H GLU 26 H GLU 26 -13.135 -8.579 1.838 161 HA GLU 26 HA GLU 26 -10.843 -9.805 0.429 162 HB3 GLU 26 2HB GLU 26 -12.575 -10.506 -1.241 163 HG3 GLU 26 2HG GLU 26 -12.739 -11.668 1.580 164 H ILE 27 H ILE 27 -9.697 -8.348 -0.450 165 HA ILE 27 HA ILE 27 -10.670 -5.878 -1.613 166 HB ILE 27 HB ILE 27 -8.013 -7.365 -1.868 167 HG13 ILE 27 2HG1 ILE 27 -9.005 -5.228 0.026 168 HG21 ILE 27 1HG2 ILE 27 -8.933 -4.664 -2.883 169 HG22 ILE 27 2HG2 ILE 27 -7.233 -5.128 -2.729 170 HG23 ILE 27 3HG2 ILE 27 -8.269 -6.042 -3.804 171 HD11 ILE 27 3HD1 ILE 27 -6.633 -7.158 0.276 172 HD12 ILE 27 1HD1 ILE 27 -7.474 -6.302 1.568 173 HD13 ILE 27 2HD1 ILE 27 -8.283 -7.640 0.744 174 H ALA 28 H ALA 28 -11.390 -5.621 -3.726 175 HA ALA 28 HA ALA 28 -11.484 -7.908 -5.580 176 HB1 ALA 28 1HB ALA 28 -12.366 -4.999 -5.922 177 HB2 ALA 28 2HB ALA 28 -12.582 -6.302 -7.097 178 HB3 ALA 28 3HB ALA 28 -13.414 -6.381 -5.546 179 H THR 29 H THR 29 -10.064 -4.580 -5.413 180 HA THR 29 HA THR 29 -7.773 -5.493 -7.094 181 HB THR 29 HB THR 29 -9.093 -2.783 -7.410 182 HG1 THR 29 1HG THR 29 -9.834 -5.153 -8.770 183 HG21 THR 29 3HG2 THR 29 -6.818 -2.956 -8.266 184 HG22 THR 29 1HG2 THR 29 -7.976 -2.767 -9.588 185 HG23 THR 29 2HG2 THR 29 -7.274 -4.366 -9.255 186 H LEU 30 H LEU 30 -6.251 -5.538 -5.446 187 HA LEU 30 HA LEU 30 -5.585 -2.970 -4.123 188 HB3 LEU 30 2HB LEU 30 -4.042 -5.613 -4.218 189 HG LEU 30 HG LEU 30 -3.573 -2.903 -2.948 190 HD11 LEU 30 1HD1 LEU 30 -3.991 -4.282 -1.005 191 HD12 LEU 30 2HD1 LEU 30 -2.258 -3.983 -1.126 192 HD13 LEU 30 3HD1 LEU 30 -2.905 -5.565 -1.623 193 HD21 LEU 30 3HD2 LEU 30 -1.965 -3.588 -4.746 194 HD22 LEU 30 1HD2 LEU 30 -1.669 -5.104 -3.846 195 HD23 LEU 30 2HD2 LEU 30 -1.185 -3.530 -3.181 196 H TYR 31 H TYR 31 -4.362 -1.527 -5.286 197 HA TYR 31 HA TYR 31 -2.408 -2.518 -7.121 198 HB3 TYR 31 2HB TYR 31 -4.416 -2.389 -8.610 199 HD1 TYR 31 1HD TYR 31 -5.364 -0.115 -6.372 200 HD2 TYR 31 2HD TYR 31 -4.554 -0.202 -10.600 201 HE1 TYR 31 1HE TYR 31 -6.866 1.771 -6.673 202 HE2 TYR 31 2HE TYR 31 -6.112 1.739 -10.906 203 HH TYR 31 HH TYR 31 -7.602 3.185 -9.895 204 H VAL 32 H VAL 32 -0.953 -0.811 -7.672 205 HA VAL 32 HA VAL 32 -1.206 1.615 -6.136 206 HB VAL 32 HB VAL 32 0.670 0.788 -5.557 207 HG11 VAL 32 1HG1 VAL 32 2.366 -0.369 -6.856 208 HG12 VAL 32 2HG1 VAL 32 0.824 -1.187 -7.042 209 HG13 VAL 32 3HG1 VAL 32 1.421 -0.137 -8.356 210 HG21 VAL 32 3HG2 VAL 32 1.741 2.290 -7.860 211 HG22 VAL 32 1HG2 VAL 32 1.257 2.868 -6.219 212 HG23 VAL 32 2HG2 VAL 32 2.608 1.784 -6.399 213 H GLN 33 H GLN 33 -1.232 3.525 -7.045 214 HA GLN 33 HA GLN 33 -1.273 3.688 -10.024 215 HB3 GLN 33 2HB GLN 33 -2.549 5.783 -9.705 216 HG3 GLN 33 2HG GLN 33 -3.946 3.452 -8.320 217 HE21 GLN 33 1HE2 GLN 33 -5.588 4.654 -7.313 218 HE22 GLN 33 2HE2 GLN 33 -6.621 5.776 -8.142 219 H VAL 34 H VAL 34 0.668 3.965 -7.254 220 HA VAL 34 HA VAL 34 2.521 5.774 -8.473 221 HB VAL 34 HB VAL 34 1.197 7.608 -8.078 222 HG11 VAL 34 1HG1 VAL 34 0.216 8.008 -5.672 223 HG12 VAL 34 2HG1 VAL 34 -0.656 6.992 -6.827 224 HG13 VAL 34 3HG1 VAL 34 0.320 6.237 -5.570 225 HG21 VAL 34 3HG2 VAL 34 2.855 7.481 -5.533 226 HG22 VAL 34 1HG2 VAL 34 3.512 7.815 -7.135 227 HG23 VAL 34 2HG2 VAL 34 2.339 8.920 -6.426 228 H TYR 35 H TYR 35 4.092 4.524 -8.090 229 HA TYR 35 HA TYR 35 4.626 3.230 -5.456 230 HB3 TYR 35 2HB TYR 35 5.389 2.706 -8.365 231 HD1 TYR 35 1HD TYR 35 6.012 0.734 -5.221 232 HD2 TYR 35 2HD TYR 35 7.737 2.792 -8.614 233 HE1 TYR 35 1HE TYR 35 8.234 -0.241 -4.731 234 HE2 TYR 35 2HE TYR 35 9.918 1.717 -8.171 235 HH TYR 35 HH TYR 35 11.189 0.514 -6.207 236 H GLU 36 H GLU 36 6.221 4.088 -4.294 237 HA GLU 36 HA GLU 36 7.787 6.327 -5.453 238 HB3 GLU 36 2HB GLU 36 8.640 5.865 -2.865 239 HG3 GLU 36 2HG GLU 36 8.112 8.070 -3.535 240 H SER 37 H SER 37 9.768 5.899 -6.353 241 HA SER 37 HA SER 37 10.815 3.159 -6.094 242 HB3 SER 37 2HB SER 37 10.379 3.988 -8.328 243 HG SER 37 HG SER 37 11.807 5.743 -9.044 244 H SER 38 H SER 38 11.484 6.245 -4.744 245 HA SER 38 HA SER 38 14.223 5.333 -3.962 246 HB3 SER 38 2HB SER 38 14.756 7.729 -3.699 247 HG SER 38 HG SER 38 13.797 7.702 -6.288 248 H LEU 39 H LEU 39 11.097 5.647 -2.822 249 HA LEU 39 HA LEU 39 11.946 5.832 -0.009 250 HB3 LEU 39 2HB LEU 39 9.789 6.897 0.539 251 HG LEU 39 HG LEU 39 11.230 8.548 -1.594 252 HD11 LEU 39 1HD1 LEU 39 8.929 9.345 -1.208 253 HD12 LEU 39 2HD1 LEU 39 10.120 10.477 -0.541 254 HD13 LEU 39 3HD1 LEU 39 9.234 9.373 0.539 255 HD21 LEU 39 3HD2 LEU 39 12.170 9.681 0.439 256 HD22 LEU 39 1HD2 LEU 39 12.723 8.012 0.234 257 HD23 LEU 39 2HD2 LEU 39 11.461 8.410 1.444 258 H GLU 40 H GLU 40 10.183 4.593 1.307 259 HA GLU 40 HA GLU 40 9.620 2.169 -0.262 260 HB3 GLU 40 2HB GLU 40 9.715 1.020 1.872 261 HG3 GLU 40 2HG GLU 40 11.936 1.911 0.605 262 H SER 41 H SER 41 7.740 3.698 -1.062 263 HA SER 41 HA SER 41 5.428 3.517 0.799 264 HB3 SER 41 2HB SER 41 4.921 5.856 -0.385 265 HG SER 41 HG SER 41 5.220 5.540 1.800 266 H LEU 42 H LEU 42 3.424 3.501 -0.079 267 HA LEU 42 HA LEU 42 3.067 2.553 -2.890 268 HB3 LEU 42 2HB LEU 42 1.940 1.265 -0.373 269 HG LEU 42 HG LEU 42 1.930 0.583 -3.345 270 HD11 LEU 42 1HD1 LEU 42 0.950 -1.632 -2.515 271 HD12 LEU 42 2HD1 LEU 42 1.583 -1.193 -0.939 272 HD13 LEU 42 3HD1 LEU 42 2.689 -1.340 -2.301 273 HD21 LEU 42 3HD2 LEU 42 -0.504 0.075 -2.970 274 HD22 LEU 42 1HD2 LEU 42 -0.145 1.767 -2.731 275 HD23 LEU 42 2HD2 LEU 42 -0.360 0.708 -1.323 276 H VAL 43 H VAL 43 1.516 4.124 -3.672 277 HA VAL 43 HA VAL 43 -0.792 4.680 -1.899 278 HB VAL 43 HB VAL 43 0.746 6.698 -3.583 279 HG11 VAL 43 1HG1 VAL 43 -1.658 7.226 -3.666 280 HG12 VAL 43 2HG1 VAL 43 -1.752 7.098 -1.886 281 HG13 VAL 43 3HG1 VAL 43 -0.809 8.385 -2.664 282 HG21 VAL 43 3HG2 VAL 43 1.941 6.334 -1.539 283 HG22 VAL 43 1HG2 VAL 43 1.077 7.854 -1.383 284 HG23 VAL 43 2HG2 VAL 43 0.433 6.400 -0.606 285 H GLY 44 H GLY 44 -2.807 5.183 -3.247 286 HA2 GLY 44 1HA GLY 44 -3.243 5.225 -5.814 287 HA3 GLY 44 2HA GLY 44 -2.766 3.520 -5.730 288 H GLY 45 H GLY 45 -4.609 4.417 -2.884 289 HA2 GLY 45 1HA GLY 45 -6.706 3.784 -2.341 290 HA3 GLY 45 2HA GLY 45 -7.149 3.817 -4.044 291 H VAL 46 H VAL 46 -8.347 1.893 -2.537 292 HA VAL 46 HA VAL 46 -7.512 -0.456 -3.971 293 HB VAL 46 HB VAL 46 -6.140 -0.952 -2.135 294 HG11 VAL 46 1HG1 VAL 46 -6.874 0.778 -0.531 295 HG12 VAL 46 2HG1 VAL 46 -8.351 -0.153 -0.204 296 HG13 VAL 46 3HG1 VAL 46 -6.732 -0.798 0.191 297 HG21 VAL 46 3HG2 VAL 46 -8.688 -2.389 -1.419 298 HG22 VAL 46 1HG2 VAL 46 -7.576 -2.807 -2.736 299 HG23 VAL 46 2HG2 VAL 46 -7.013 -2.856 -1.060 300 H ILE 47 H ILE 47 -9.211 -1.619 -4.543 301 HA ILE 47 HA ILE 47 -11.890 -0.575 -3.799 302 HB ILE 47 HB ILE 47 -10.859 -2.069 -6.265 303 HG13 ILE 47 2HG1 ILE 47 -11.333 0.848 -5.671 304 HG21 ILE 47 1HG2 ILE 47 -13.111 -1.620 -7.207 305 HG22 ILE 47 2HG2 ILE 47 -13.166 -2.716 -5.830 306 HG23 ILE 47 3HG2 ILE 47 -13.629 -1.023 -5.634 307 HD11 ILE 47 3HD1 ILE 47 -9.008 0.015 -6.196 308 HD12 ILE 47 1HD1 ILE 47 -9.610 -0.547 -7.774 309 HD13 ILE 47 2HD1 ILE 47 -9.608 1.182 -7.386 310 H PHE 48 H PHE 48 -12.910 -1.884 -2.307 311 HA PHE 48 HA PHE 48 -12.347 -4.773 -2.144 312 HB3 PHE 48 2HB PHE 48 -14.451 -4.540 -0.607 313 HD1 PHE 48 2HD PHE 48 -11.398 -2.290 -0.274 314 HD2 PHE 48 1HD PHE 48 -13.493 -5.845 1.040 315 HE1 PHE 48 2HE PHE 48 -9.687 -2.681 1.423 316 HE2 PHE 48 1HE PHE 48 -11.736 -6.217 2.742 317 HZ PHE 48 HZ PHE 48 -9.869 -4.636 2.964 318 H GLU 49 H GLU 49 -14.025 -6.328 -2.378 319 HA GLU 49 HA GLU 49 -15.648 -6.334 -4.685 320 HB3 GLU 49 2HB GLU 49 -16.888 -8.051 -2.962 321 HG3 GLU 49 2HG GLU 49 -14.854 -9.652 -3.534 322 H ASP 50 H ASP 50 -16.475 -5.691 -1.278 323 HA ASP 50 HA ASP 50 -19.299 -5.460 -1.955 324 HB3 ASP 50 2HB ASP 50 -18.289 -5.288 0.865 325 H GLY 51 H GLY 51 -17.738 -3.374 -2.861 326 HA2 GLY 51 1HA GLY 51 -17.515 -1.176 -3.056 327 HA3 GLY 51 2HA GLY 51 -19.126 -1.052 -2.323 328 H ARG 52 H ARG 52 -15.638 -1.150 -1.599 329 HA ARG 52 HA ARG 52 -16.020 0.633 0.681 330 HB3 ARG 52 2HB ARG 52 -15.111 -0.638 2.382 331 HG3 ARG 52 2HG ARG 52 -16.789 -2.572 0.807 332 HD3 ARG 52 2HD ARG 52 -15.333 -3.624 2.634 333 HE ARG 52 HE ARG 52 -16.729 -1.749 4.269 334 HH11 ARG 52 1HH1 ARG 52 -16.138 -5.262 4.223 335 HH12 ARG 52 2HH1 ARG 52 -16.673 -5.512 5.839 336 HH21 ARG 52 1HH2 ARG 52 -16.878 -2.033 6.566 337 HH22 ARG 52 2HH2 ARG 52 -16.870 -3.639 7.236 338 H HIS 53 H HIS 53 -14.875 2.107 -0.650 339 HA HIS 53 HA HIS 53 -12.242 1.339 -1.760 340 HB3 HIS 53 2HB HIS 53 -13.969 3.798 -2.160 341 HD1 HIS 53 1HD HIS 53 -13.606 4.943 -4.590 342 HD2 HIS 53 2HD HIS 53 -10.547 2.371 -3.274 343 HE1 HIS 53 1HE HIS 53 -11.597 5.389 -6.084 344 H TYR 54 H TYR 54 -10.367 2.053 -0.797 345 HA TYR 54 HA TYR 54 -10.517 4.367 1.082 346 HB3 TYR 54 2HB TYR 54 -9.066 3.076 2.629 347 HD1 TYR 54 2HD TYR 54 -11.307 4.124 3.376 348 HD2 TYR 54 1HD TYR 54 -10.952 0.084 1.980 349 HE1 TYR 54 2HE TYR 54 -13.494 3.586 4.442 350 HE2 TYR 54 1HE TYR 54 -13.077 -0.494 3.087 351 HH TYR 54 HH TYR 54 -15.276 2.036 4.293 352 H THR 55 H THR 55 -8.959 5.840 0.789 353 HA THR 55 HA THR 55 -6.804 5.449 -1.123 354 HB THR 55 HB THR 55 -6.238 7.835 -0.381 355 HG1 THR 55 1HG THR 55 -7.453 8.034 1.537 356 HG21 THR 55 3HG2 THR 55 -8.875 7.080 -1.658 357 HG22 THR 55 1HG2 THR 55 -7.308 7.342 -2.456 358 HG23 THR 55 2HG2 THR 55 -8.160 8.709 -1.721 359 H PHE 56 H PHE 56 -5.918 3.615 -0.026 360 HA PHE 56 HA PHE 56 -4.311 3.853 2.353 361 HB3 PHE 56 2HB PHE 56 -3.122 1.921 0.835 362 HD1 PHE 56 2HD PHE 56 -6.614 2.335 2.303 363 HD2 PHE 56 1HD PHE 56 -2.866 0.243 2.341 364 HE1 PHE 56 2HE PHE 56 -7.325 1.084 4.324 365 HE2 PHE 56 1HE PHE 56 -3.614 -1.081 4.321 366 HZ PHE 56 HZ PHE 56 -5.823 -0.601 5.347 367 H VAL 57 H VAL 57 -2.655 4.846 2.833 368 HA VAL 57 HA VAL 57 -0.520 5.209 0.898 369 HB VAL 57 HB VAL 57 -1.433 7.383 0.959 370 HG11 VAL 57 1HG1 VAL 57 -1.525 7.283 3.996 371 HG12 VAL 57 2HG1 VAL 57 -1.881 8.701 2.994 372 HG13 VAL 57 3HG1 VAL 57 -2.917 7.274 2.889 373 HG21 VAL 57 3HG2 VAL 57 0.781 7.465 3.067 374 HG22 VAL 57 1HG2 VAL 57 1.089 7.236 1.342 375 HG23 VAL 57 2HG2 VAL 57 0.343 8.731 1.914 376 H TYR 58 H TYR 58 1.207 4.389 1.672 377 HA TYR 58 HA TYR 58 1.546 3.896 4.598 378 HB3 TYR 58 2HB TYR 58 2.597 2.232 2.289 379 HD1 TYR 58 2HD TYR 58 1.930 1.968 6.008 380 HD2 TYR 58 1HD TYR 58 4.761 1.347 2.803 381 HE1 TYR 58 2HE TYR 58 3.437 0.860 7.583 382 HE2 TYR 58 1HE TYR 58 6.239 0.141 4.379 383 HH TYR 58 HH TYR 58 5.391 -0.273 7.846 384 H GLU 59 H GLU 59 3.217 5.056 5.484 385 HA GLU 59 HA GLU 59 5.587 5.635 3.848 386 HB3 GLU 59 2HB GLU 59 4.353 7.661 3.470 387 HG3 GLU 59 2HG GLU 59 3.865 7.680 6.468 388 H ASN 60 H ASN 60 7.310 5.120 4.930 389 HA ASN 60 HA ASN 60 8.732 4.388 6.439 390 HB3 ASN 60 2HB ASN 60 7.315 6.071 8.531 391 HD21 ASN 60 1HD2 ASN 60 10.573 4.866 7.343 392 HD22 ASN 60 2HD2 ASN 60 11.190 4.703 8.953 393 H GLU 61 H GLU 61 5.736 4.660 8.256 394 HA GLU 61 HA GLU 61 5.500 1.845 8.867 395 HB3 GLU 61 2HB GLU 61 7.137 2.404 10.540 396 HG3 GLU 61 2HG GLU 61 5.186 4.594 11.354 397 H ASP 62 H ASP 62 4.206 5.042 8.555 398 HA ASP 62 HA ASP 62 1.787 4.701 10.154 399 HB3 ASP 62 2HB ASP 62 1.128 6.726 8.597 400 H LEU 63 H LEU 63 -0.083 3.842 9.359 401 HA LEU 63 HA LEU 63 -0.414 3.650 6.446 402 HB3 LEU 63 2HB LEU 63 -1.578 1.352 7.974 403 HG LEU 63 HG LEU 63 -0.044 1.475 5.351 404 HD11 LEU 63 1HD1 LEU 63 -1.145 -0.660 4.879 405 HD12 LEU 63 2HD1 LEU 63 -2.011 -0.577 6.432 406 HD13 LEU 63 3HD1 LEU 63 -0.238 -0.752 6.398 407 HD21 LEU 63 3HD2 LEU 63 -3.065 1.537 5.550 408 HD22 LEU 63 1HD2 LEU 63 -2.014 1.567 4.093 409 HD23 LEU 63 2HD2 LEU 63 -2.057 2.943 5.149 410 H VAL 64 H VAL 64 -1.834 5.268 6.293 411 HA VAL 64 HA VAL 64 -4.159 5.383 8.143 412 HB VAL 64 HB VAL 64 -2.602 7.017 8.872 413 HG11 VAL 64 1HG1 VAL 64 -2.362 8.087 6.036 414 HG12 VAL 64 2HG1 VAL 64 -1.662 8.796 7.499 415 HG13 VAL 64 3HG1 VAL 64 -1.099 7.228 6.947 416 HG21 VAL 64 3HG2 VAL 64 -4.772 8.385 7.232 417 HG22 VAL 64 1HG2 VAL 64 -4.853 7.849 8.920 418 HG23 VAL 64 2HG2 VAL 64 -3.778 9.167 8.460 419 H TYR 65 H TYR 65 -6.130 5.966 7.156 420 HA TYR 65 HA TYR 65 -6.229 6.529 4.302 421 HB3 TYR 65 2HB TYR 65 -5.872 4.101 4.291 422 HD1 TYR 65 1HD TYR 65 -9.478 4.198 5.234 423 HD2 TYR 65 2HD TYR 65 -5.545 2.787 6.313 424 HE1 TYR 65 1HE TYR 65 -10.492 2.536 6.801 425 HE2 TYR 65 2HE TYR 65 -6.519 1.201 7.914 426 HH TYR 65 HH TYR 65 -8.493 0.311 8.795 427 H GLU 66 H GLU 66 -8.593 6.725 3.620 428 HA GLU 66 HA GLU 66 -10.585 6.892 5.743 429 HB3 GLU 66 2HB GLU 66 -10.256 9.255 3.884 430 HG3 GLU 66 2HG GLU 66 -11.042 8.978 6.824 431 H GLU 67 H GLU 67 -12.816 7.207 4.564 432 HA GLU 67 HA GLU 67 -12.896 5.360 2.320 433 HB3 GLU 67 2HB GLU 67 -15.205 6.992 3.453 434 HG3 GLU 67 2HG GLU 67 -14.913 4.359 1.959 435 H GLU 68 H GLU 68 -13.514 5.797 0.219 436 HA GLU 68 HA GLU 68 -12.657 8.432 -0.666 437 HB3 GLU 68 2HB GLU 68 -13.384 6.221 -2.586 438 HG3 GLU 68 2HG GLU 68 -10.949 6.903 -3.263 439 H VAL 69 H VAL 69 -14.159 10.017 -0.867 440 HA VAL 69 HA VAL 69 -16.831 9.289 -1.901 441 HB VAL 69 HB VAL 69 -17.830 10.634 -0.136 442 HG11 VAL 69 1HG1 VAL 69 -17.482 8.170 0.230 443 HG12 VAL 69 2HG1 VAL 69 -16.009 8.549 1.137 444 HG13 VAL 69 3HG1 VAL 69 -17.572 9.112 1.734 445 HG21 VAL 69 3HG2 VAL 69 -15.891 12.160 0.346 446 HG22 VAL 69 1HG2 VAL 69 -16.583 11.438 1.807 447 HG23 VAL 69 2HG2 VAL 69 -15.067 10.804 1.140 448 H LEU 70 H LEU 70 -14.577 10.455 -3.228 449 HA LEU 70 HA LEU 70 -15.175 13.305 -3.690 450 HB3 LEU 70 2HB LEU 70 -13.723 12.897 -5.740 451 HG LEU 70 HG LEU 70 -12.815 13.642 -3.379 452 HD11 LEU 70 1HD1 LEU 70 -11.416 10.948 -3.740 453 HD12 LEU 70 2HD1 LEU 70 -12.612 11.285 -2.491 454 HD13 LEU 70 3HD1 LEU 70 -11.081 12.162 -2.476 455 HD21 LEU 70 3HD2 LEU 70 -10.983 12.564 -5.562 456 HD22 LEU 70 1HD2 LEU 70 -10.545 13.763 -4.321 457 HD23 LEU 70 2HD2 LEU 70 -11.756 14.159 -5.547 Start of MODEL 17 1 H1 GLY 1 H GLY 1 31.010 7.357 -1.534 2 HA2 GLY 1 1HA GLY 1 30.164 7.770 0.822 3 HA3 GLY 1 2HA GLY 1 28.905 7.629 -0.425 4 H ASP 2 H ASP 2 27.768 5.639 -0.717 5 HA ASP 2 HA ASP 2 28.380 3.469 1.123 6 HB3 ASP 2 2HB ASP 2 26.666 4.569 2.381 7 H ASP 3 H ASP 3 27.320 1.616 0.535 8 HA ASP 3 HA ASP 3 27.241 0.991 -2.362 9 HB3 ASP 3 2HB ASP 3 29.541 1.305 -2.121 10 H ARG 4 H ARG 4 26.329 0.295 0.834 11 HA ARG 4 HA ARG 4 25.458 -2.382 0.098 12 HB3 ARG 4 2HB ARG 4 26.246 -3.296 2.303 13 HG3 ARG 4 2HG ARG 4 28.553 -2.507 0.462 14 HD3 ARG 4 2HD ARG 4 29.278 -3.498 2.582 15 HE ARG 4 HE ARG 4 27.775 -4.936 3.497 16 HH11 ARG 4 1HH1 ARG 4 28.616 -6.223 0.331 17 HH12 ARG 4 2HH1 ARG 4 27.387 -7.454 0.323 18 HH21 ARG 4 1HH2 ARG 4 26.201 -6.604 3.541 19 HH22 ARG 4 2HH2 ARG 4 25.929 -7.616 2.164 20 H LYS 5 H LYS 5 23.690 -0.641 -0.048 21 HA LYS 5 HA LYS 5 22.038 -1.025 2.266 22 HB3 LYS 5 2HB LYS 5 22.499 1.716 0.996 23 HG3 LYS 5 2HG LYS 5 21.042 0.793 3.506 24 HD3 LYS 5 2HD LYS 5 20.628 3.375 3.616 25 HE3 LYS 5 2HE LYS 5 23.351 2.256 4.377 26 HZ1 LYS 5 3HZ LYS 5 23.086 3.917 6.154 27 HZ2 LYS 5 1HZ LYS 5 21.820 4.594 5.346 28 HZ3 LYS 5 2HZ LYS 5 23.309 4.611 4.658 29 H LEU 6 H LEU 6 20.257 -1.979 1.335 30 HA LEU 6 HA LEU 6 19.475 -1.231 -1.448 31 HB3 LEU 6 2HB LEU 6 18.967 -3.607 -1.842 32 HG LEU 6 HG LEU 6 21.859 -3.220 -0.967 33 HD11 LEU 6 1HD1 LEU 6 22.324 -5.148 -2.450 34 HD12 LEU 6 2HD1 LEU 6 20.576 -5.337 -2.741 35 HD13 LEU 6 3HD1 LEU 6 21.254 -5.596 -1.118 36 HD21 LEU 6 3HD2 LEU 6 21.282 -1.626 -2.738 37 HD22 LEU 6 1HD2 LEU 6 20.535 -2.917 -3.708 38 HD23 LEU 6 2HD2 LEU 6 22.289 -2.900 -3.395 39 H MET 7 H MET 7 17.339 -0.788 -1.639 40 HA MET 7 HA MET 7 15.646 -0.828 0.710 41 HB3 MET 7 2HB MET 7 15.531 1.077 -0.757 42 HG3 MET 7 2HG MET 7 14.864 -0.876 -2.994 43 HE1 MET 7 3HE MET 7 12.441 -0.158 -3.930 44 HE2 MET 7 1HE MET 7 12.316 0.561 -2.305 45 HE3 MET 7 2HE MET 7 11.862 1.504 -3.731 46 H LYS 8 H LYS 8 13.332 -1.491 0.222 47 HA LYS 8 HA LYS 8 13.034 -4.320 -0.471 48 HB3 LYS 8 2HB LYS 8 10.577 -3.724 -0.218 49 HG3 LYS 8 2HG LYS 8 12.172 -2.810 2.206 50 HD3 LYS 8 2HD LYS 8 10.321 -4.704 3.012 51 HE3 LYS 8 2HE LYS 8 8.703 -2.541 3.194 52 HZ1 LYS 8 3HZ LYS 8 9.571 -2.198 5.317 53 HZ2 LYS 8 1HZ LYS 8 11.077 -2.747 4.895 54 HZ3 LYS 8 2HZ LYS 8 9.769 -3.783 5.023 55 H THR 9 H THR 9 10.917 -4.594 -2.157 56 HA THR 9 HA THR 9 11.496 -2.916 -4.547 57 HB THR 9 HB THR 9 10.854 -4.989 -5.864 58 HG1 THR 9 1HG THR 9 10.979 -6.944 -4.849 59 HG21 THR 9 3HG2 THR 9 13.413 -5.102 -4.233 60 HG22 THR 9 1HG2 THR 9 13.156 -4.236 -5.756 61 HG23 THR 9 2HG2 THR 9 13.075 -6.002 -5.738 62 H GLN 10 H GLN 10 9.664 -3.060 -6.096 63 HA GLN 10 HA GLN 10 7.249 -2.126 -5.224 64 HB3 GLN 10 2HB GLN 10 7.589 -4.033 -7.599 65 HG3 GLN 10 2HG GLN 10 5.980 -2.611 -8.750 66 HE21 GLN 10 1HE2 GLN 10 4.383 -1.666 -5.978 67 HE22 GLN 10 2HE2 GLN 10 3.287 -3.006 -5.867 68 H GLU 11 H GLU 11 8.073 -5.623 -5.789 69 HA GLU 11 HA GLU 11 5.482 -6.482 -5.238 70 HB3 GLU 11 2HB GLU 11 7.849 -8.252 -4.538 71 HG3 GLU 11 2HG GLU 11 5.312 -8.568 -6.186 72 H GLU 12 H GLU 12 8.336 -6.430 -3.006 73 HA GLU 12 HA GLU 12 7.053 -7.333 -0.706 74 HB3 GLU 12 2HB GLU 12 8.735 -5.753 0.479 75 HG3 GLU 12 2HG GLU 12 10.538 -7.242 -1.195 76 H LEU 13 H LEU 13 7.269 -3.863 -1.793 77 HA LEU 13 HA LEU 13 5.874 -2.982 0.556 78 HB3 LEU 13 2HB LEU 13 5.212 -0.986 -1.106 79 HG LEU 13 HG LEU 13 6.841 0.135 -0.240 80 HD11 LEU 13 1HD1 LEU 13 7.405 -1.475 1.400 81 HD12 LEU 13 2HD1 LEU 13 8.890 -0.784 0.777 82 HD13 LEU 13 3HD1 LEU 13 8.406 -2.403 0.238 83 HD21 LEU 13 3HD2 LEU 13 7.622 0.081 -2.571 84 HD22 LEU 13 1HD2 LEU 13 8.677 -1.302 -2.187 85 HD23 LEU 13 2HD2 LEU 13 8.965 0.283 -1.470 86 H THR 14 H THR 14 4.645 -4.203 -2.581 87 HA THR 14 HA THR 14 1.904 -3.625 -1.913 88 HB THR 14 HB THR 14 3.250 -5.364 -3.985 89 HG1 THR 14 1HG THR 14 1.287 -3.327 -4.220 90 HG21 THR 14 3HG2 THR 14 1.017 -5.927 -4.883 91 HG22 THR 14 1HG2 THR 14 0.257 -5.286 -3.411 92 HG23 THR 14 2HG2 THR 14 1.301 -6.709 -3.314 93 H GLU 15 H GLU 15 3.937 -6.637 -1.628 94 HA GLU 15 HA GLU 15 1.950 -8.320 -0.637 95 HB3 GLU 15 2HB GLU 15 3.720 -9.680 0.324 96 HG3 GLU 15 2HG GLU 15 5.242 -10.081 -1.485 97 H ILE 16 H ILE 16 4.124 -6.136 1.163 98 HA ILE 16 HA ILE 16 3.416 -6.984 3.756 99 HB ILE 16 HB ILE 16 4.402 -4.305 2.637 100 HG13 ILE 16 2HG1 ILE 16 5.817 -6.534 2.460 101 HG21 ILE 16 1HG2 ILE 16 3.481 -3.765 4.814 102 HG22 ILE 16 2HG2 ILE 16 4.232 -5.199 5.551 103 HG23 ILE 16 3HG2 ILE 16 5.230 -3.844 5.002 104 HD11 ILE 16 3HD1 ILE 16 7.869 -5.436 2.685 105 HD12 ILE 16 1HD1 ILE 16 6.773 -4.125 2.217 106 HD13 ILE 16 2HD1 ILE 16 7.263 -4.327 3.917 107 H VAL 17 H VAL 17 2.073 -4.209 1.836 108 HA VAL 17 HA VAL 17 0.049 -3.760 3.864 109 HB VAL 17 HB VAL 17 -0.101 -2.842 0.985 110 HG11 VAL 17 1HG1 VAL 17 -2.197 -2.549 2.338 111 HG12 VAL 17 2HG1 VAL 17 -1.245 -1.736 3.574 112 HG13 VAL 17 3HG1 VAL 17 -1.441 -0.981 1.987 113 HG21 VAL 17 3HG2 VAL 17 1.279 -1.396 3.261 114 HG22 VAL 17 1HG2 VAL 17 2.052 -2.056 1.810 115 HG23 VAL 17 2HG2 VAL 17 0.932 -0.726 1.639 116 H ARG 18 H ARG 18 0.277 -5.948 1.055 117 HA ARG 18 HA ARG 18 -2.478 -6.617 0.829 118 HB3 ARG 18 2HB ARG 18 -0.226 -8.634 0.507 119 HG3 ARG 18 2HG ARG 18 -2.088 -8.221 -1.734 120 HD3 ARG 18 2HD ARG 18 -2.474 -10.631 -1.419 121 HE ARG 18 HE ARG 18 0.234 -9.778 -2.017 122 HH11 ARG 18 1HH1 ARG 18 -1.615 -12.679 -1.019 123 HH12 ARG 18 2HH1 ARG 18 -0.731 -13.729 -2.061 124 HH21 ARG 18 1HH2 ARG 18 1.553 -11.273 -3.132 125 HH22 ARG 18 2HH2 ARG 18 1.092 -12.937 -3.269 126 H ASP 19 H ASP 19 0.163 -8.031 2.797 127 HA ASP 19 HA ASP 19 -1.574 -9.741 4.347 128 HB3 ASP 19 2HB ASP 19 1.339 -9.219 4.942 129 H HIS 20 H HIS 20 -1.572 -6.618 4.589 130 HA HIS 20 HA HIS 20 -2.016 -6.802 7.516 131 HB3 HIS 20 2HB HIS 20 -1.775 -4.257 7.452 132 HD1 HIS 20 1HD HIS 20 -0.559 -6.186 9.440 133 HD2 HIS 20 2HD HIS 20 1.633 -4.375 6.316 134 HE1 HIS 20 1HE HIS 20 1.888 -6.204 10.161 135 H PHE 21 H PHE 21 -3.064 -5.499 4.299 136 HA PHE 21 HA PHE 21 -5.337 -4.375 5.648 137 HB3 PHE 21 2HB PHE 21 -4.936 -4.356 2.681 138 HD1 PHE 21 2HD PHE 21 -5.940 -2.491 5.804 139 HD2 PHE 21 1HD PHE 21 -6.460 -2.958 1.600 140 HE1 PHE 21 2HE PHE 21 -7.936 -1.008 5.925 141 HE2 PHE 21 1HE PHE 21 -8.475 -1.424 1.695 142 HZ PHE 21 HZ PHE 21 -9.227 -0.514 3.870 143 H SER 22 H SER 22 -4.844 -7.430 3.991 144 HA SER 22 HA SER 22 -7.692 -7.829 3.548 145 HB3 SER 22 2HB SER 22 -5.864 -9.106 2.401 146 HG SER 22 HG SER 22 -5.640 -11.154 3.819 147 H ASP 23 H ASP 23 -5.826 -7.386 6.364 148 HA ASP 23 HA ASP 23 -7.289 -9.158 8.150 149 HB3 ASP 23 2HB ASP 23 -5.683 -6.716 8.938 150 H MET 24 H MET 24 -8.108 -6.382 6.477 151 HA MET 24 HA MET 24 -9.977 -5.302 8.517 152 HB3 MET 24 2HB MET 24 -9.328 -3.138 7.940 153 HG3 MET 24 2HG MET 24 -6.697 -4.563 7.490 154 HE1 MET 24 3HE MET 24 -4.214 -2.258 8.951 155 HE2 MET 24 1HE MET 24 -4.746 -3.956 8.993 156 HE3 MET 24 2HE MET 24 -4.559 -3.127 7.443 157 H GLY 25 H GLY 25 -9.828 -6.699 5.330 158 HA2 GLY 25 1HA GLY 25 -12.492 -6.966 5.203 159 HA3 GLY 25 2HA GLY 25 -12.241 -5.473 4.294 160 H GLU 26 H GLU 26 -13.253 -7.047 2.616 161 HA GLU 26 HA GLU 26 -11.198 -8.675 1.204 162 HB3 GLU 26 2HB GLU 26 -13.212 -9.056 -0.355 163 HG3 GLU 26 2HG GLU 26 -13.195 -10.206 2.460 164 H ILE 27 H ILE 27 -9.884 -7.282 0.260 165 HA ILE 27 HA ILE 27 -10.835 -4.935 -1.233 166 HB ILE 27 HB ILE 27 -8.130 -6.338 -1.361 167 HG13 ILE 27 2HG1 ILE 27 -9.268 -4.608 0.770 168 HG21 ILE 27 1HG2 ILE 27 -9.169 -3.608 -2.207 169 HG22 ILE 27 2HG2 ILE 27 -7.444 -4.037 -2.144 170 HG23 ILE 27 3HG2 ILE 27 -8.516 -4.900 -3.248 171 HD11 ILE 27 3HD1 ILE 27 -8.020 -6.686 1.283 172 HD12 ILE 27 1HD1 ILE 27 -6.558 -6.001 0.516 173 HD13 ILE 27 2HD1 ILE 27 -7.234 -5.273 1.983 174 H ALA 28 H ALA 28 -11.109 -4.877 -3.390 175 HA ALA 28 HA ALA 28 -11.527 -7.441 -4.844 176 HB1 ALA 28 1HB ALA 28 -12.831 -6.115 -6.445 177 HB2 ALA 28 2HB ALA 28 -13.508 -5.938 -4.827 178 HB3 ALA 28 3HB ALA 28 -12.563 -4.623 -5.528 179 H THR 29 H THR 29 -10.581 -4.086 -5.497 180 HA THR 29 HA THR 29 -8.359 -5.079 -7.252 181 HB THR 29 HB THR 29 -9.847 -2.458 -7.508 182 HG1 THR 29 1HG THR 29 -11.230 -3.924 -8.337 183 HG21 THR 29 3HG2 THR 29 -7.474 -2.379 -8.297 184 HG22 THR 29 1HG2 THR 29 -8.629 -2.227 -9.613 185 HG23 THR 29 2HG2 THR 29 -7.825 -3.775 -9.361 186 H LEU 30 H LEU 30 -6.795 -5.246 -5.760 187 HA LEU 30 HA LEU 30 -5.983 -2.919 -4.160 188 HB3 LEU 30 2HB LEU 30 -4.814 -5.726 -4.454 189 HG LEU 30 HG LEU 30 -3.906 -3.262 -3.065 190 HD11 LEU 30 1HD1 LEU 30 -5.032 -4.276 -1.183 191 HD12 LEU 30 2HD1 LEU 30 -3.276 -4.355 -0.964 192 HD13 LEU 30 3HD1 LEU 30 -4.171 -5.809 -1.449 193 HD21 LEU 30 3HD2 LEU 30 -2.636 -5.950 -3.735 194 HD22 LEU 30 1HD2 LEU 30 -1.809 -4.691 -2.852 195 HD23 LEU 30 2HD2 LEU 30 -2.316 -4.365 -4.504 196 H TYR 31 H TYR 31 -4.560 -1.483 -5.215 197 HA TYR 31 HA TYR 31 -2.435 -2.568 -6.707 198 HB3 TYR 31 2HB TYR 31 -4.144 -2.417 -8.582 199 HD1 TYR 31 1HD TYR 31 -5.258 0.036 -6.621 200 HD2 TYR 31 2HD TYR 31 -3.738 -0.323 -10.653 201 HE1 TYR 31 1HE TYR 31 -6.433 2.061 -7.230 202 HE2 TYR 31 2HE TYR 31 -5.007 1.703 -11.287 203 HH TYR 31 HH TYR 31 -6.981 3.523 -8.889 204 H VAL 32 H VAL 32 -0.780 -1.187 -6.924 205 HA VAL 32 HA VAL 32 -1.012 1.378 -5.726 206 HB VAL 32 HB VAL 32 0.691 0.534 -4.794 207 HG11 VAL 32 1HG1 VAL 32 1.601 -1.018 -7.254 208 HG12 VAL 32 2HG1 VAL 32 2.341 -1.014 -5.602 209 HG13 VAL 32 3HG1 VAL 32 0.802 -1.691 -5.774 210 HG21 VAL 32 3HG2 VAL 32 2.046 1.604 -7.231 211 HG22 VAL 32 1HG2 VAL 32 1.687 2.391 -5.654 212 HG23 VAL 32 2HG2 VAL 32 2.909 1.162 -5.765 213 H GLN 33 H GLN 33 -1.125 3.161 -6.639 214 HA GLN 33 HA GLN 33 -0.915 3.368 -9.588 215 HB3 GLN 33 2HB GLN 33 -1.713 5.668 -9.213 216 HG3 GLN 33 2HG GLN 33 -3.688 3.844 -7.818 217 HE21 GLN 33 1HE2 GLN 33 -5.240 5.581 -7.366 218 HE22 GLN 33 2HE2 GLN 33 -5.700 6.711 -8.598 219 H VAL 34 H VAL 34 1.052 3.571 -6.696 220 HA VAL 34 HA VAL 34 3.063 5.120 -8.154 221 HB VAL 34 HB VAL 34 3.071 6.774 -6.024 222 HG11 VAL 34 1HG1 VAL 34 2.214 8.512 -7.463 223 HG12 VAL 34 2HG1 VAL 34 3.240 7.421 -8.400 224 HG13 VAL 34 3HG1 VAL 34 1.470 7.338 -8.559 225 HG21 VAL 34 3HG2 VAL 34 0.770 5.846 -5.319 226 HG22 VAL 34 1HG2 VAL 34 0.945 7.612 -5.453 227 HG23 VAL 34 2HG2 VAL 34 0.112 6.691 -6.729 228 H TYR 35 H TYR 35 4.579 3.685 -7.855 229 HA TYR 35 HA TYR 35 5.216 2.441 -5.223 230 HB3 TYR 35 2HB TYR 35 5.974 2.060 -8.145 231 HD1 TYR 35 2HD TYR 35 6.908 0.493 -4.812 232 HD2 TYR 35 1HD TYR 35 8.144 1.601 -8.800 233 HE1 TYR 35 2HE TYR 35 9.129 -0.526 -4.425 234 HE2 TYR 35 1HE TYR 35 10.326 0.508 -8.437 235 HH TYR 35 HH TYR 35 11.747 -0.466 -6.782 236 H GLU 36 H GLU 36 7.048 3.148 -4.087 237 HA GLU 36 HA GLU 36 8.505 5.500 -5.084 238 HB3 GLU 36 2HB GLU 36 9.828 4.606 -2.825 239 HG3 GLU 36 2HG GLU 36 8.399 6.196 -1.541 240 H SER 37 H SER 37 10.182 5.162 -6.581 241 HA SER 37 HA SER 37 11.342 2.488 -6.807 242 HB3 SER 37 2HB SER 37 10.858 3.885 -8.802 243 HG SER 37 HG SER 37 11.484 5.933 -8.559 244 H SER 38 H SER 38 11.867 5.033 -4.719 245 HA SER 38 HA SER 38 14.793 4.584 -4.468 246 HB3 SER 38 2HB SER 38 14.826 6.934 -3.790 247 HG SER 38 HG SER 38 13.874 7.847 -5.715 248 H LEU 39 H LEU 39 11.818 4.140 -2.764 249 HA LEU 39 HA LEU 39 13.036 4.014 -0.096 250 HB3 LEU 39 2HB LEU 39 11.230 5.511 0.790 251 HG LEU 39 HG LEU 39 12.869 6.959 -1.331 252 HD11 LEU 39 1HD1 LEU 39 11.398 8.033 1.098 253 HD12 LEU 39 2HD1 LEU 39 10.798 8.132 -0.589 254 HD13 LEU 39 3HD1 LEU 39 12.265 8.967 -0.136 255 HD21 LEU 39 3HD2 LEU 39 14.310 7.590 0.592 256 HD22 LEU 39 1HD2 LEU 39 14.281 5.836 0.390 257 HD23 LEU 39 2HD2 LEU 39 13.315 6.577 1.674 258 H GLU 40 H GLU 40 10.804 3.621 1.399 259 HA GLU 40 HA GLU 40 9.762 1.158 0.205 260 HB3 GLU 40 2HB GLU 40 9.830 0.244 2.447 261 HG3 GLU 40 2HG GLU 40 11.872 0.171 0.873 262 H SER 41 H SER 41 8.109 2.720 -0.682 263 HA SER 41 HA SER 41 5.936 3.209 1.297 264 HB3 SER 41 2HB SER 41 6.445 5.011 -1.055 265 HG SER 41 HG SER 41 5.777 6.125 1.307 266 H LEU 42 H LEU 42 3.815 3.331 0.342 267 HA LEU 42 HA LEU 42 3.409 2.128 -2.265 268 HB3 LEU 42 2HB LEU 42 2.068 0.794 0.140 269 HG LEU 42 HG LEU 42 1.747 -1.125 -1.519 270 HD11 LEU 42 1HD1 LEU 42 -0.075 -0.297 -2.669 271 HD12 LEU 42 2HD1 LEU 42 0.535 1.343 -2.724 272 HD13 LEU 42 3HD1 LEU 42 -0.026 0.653 -1.185 273 HD21 LEU 42 3HD2 LEU 42 3.772 -0.567 -2.723 274 HD22 LEU 42 1HD2 LEU 42 2.796 0.594 -3.649 275 HD23 LEU 42 2HD2 LEU 42 2.363 -1.154 -3.568 276 H VAL 43 H VAL 43 1.930 3.576 -3.164 277 HA VAL 43 HA VAL 43 -0.329 4.472 -1.460 278 HB VAL 43 HB VAL 43 1.433 6.089 -3.317 279 HG11 VAL 43 1HG1 VAL 43 -1.096 7.067 -1.914 280 HG12 VAL 43 2HG1 VAL 43 0.049 8.046 -2.856 281 HG13 VAL 43 3HG1 VAL 43 -0.924 6.829 -3.671 282 HG21 VAL 43 3HG2 VAL 43 0.832 6.391 -0.367 283 HG22 VAL 43 1HG2 VAL 43 2.365 5.867 -1.064 284 HG23 VAL 43 2HG2 VAL 43 1.801 7.508 -1.325 285 H GLY 44 H GLY 44 -2.311 4.723 -2.529 286 HA2 GLY 44 1HA GLY 44 -3.321 4.860 -4.910 287 HA3 GLY 44 2HA GLY 44 -2.606 3.267 -5.137 288 H GLY 45 H GLY 45 -5.176 5.084 -3.442 289 HA2 GLY 45 1HA GLY 45 -6.397 3.313 -1.888 290 HA3 GLY 45 2HA GLY 45 -7.250 4.395 -3.011 291 H VAL 46 H VAL 46 -7.762 1.686 -1.918 292 HA VAL 46 HA VAL 46 -7.796 0.018 -4.350 293 HB VAL 46 HB VAL 46 -7.864 -1.895 -2.867 294 HG11 VAL 46 1HG1 VAL 46 -5.725 -0.124 -1.682 295 HG12 VAL 46 2HG1 VAL 46 -5.768 -1.894 -1.793 296 HG13 VAL 46 3HG1 VAL 46 -5.615 -0.910 -3.277 297 HG21 VAL 46 3HG2 VAL 46 -7.716 -1.689 -0.396 298 HG22 VAL 46 1HG2 VAL 46 -7.964 0.058 -0.525 299 HG23 VAL 46 2HG2 VAL 46 -9.249 -1.063 -1.016 300 H ILE 47 H ILE 47 -9.629 -1.436 -4.520 301 HA ILE 47 HA ILE 47 -12.195 -0.039 -3.884 302 HB ILE 47 HB ILE 47 -11.325 -1.700 -6.292 303 HG13 ILE 47 2HG1 ILE 47 -11.192 1.210 -5.723 304 HG21 ILE 47 1HG2 ILE 47 -13.861 -0.112 -5.944 305 HG22 ILE 47 2HG2 ILE 47 -13.378 -1.051 -7.353 306 HG23 ILE 47 3HG2 ILE 47 -13.738 -1.900 -5.853 307 HD11 ILE 47 3HD1 ILE 47 -9.218 -0.118 -6.575 308 HD12 ILE 47 1HD1 ILE 47 -10.100 -0.330 -8.105 309 HD13 ILE 47 2HD1 ILE 47 -9.626 1.284 -7.572 310 H PHE 48 H PHE 48 -13.539 -1.287 -2.611 311 HA PHE 48 HA PHE 48 -12.861 -4.083 -1.953 312 HB3 PHE 48 2HB PHE 48 -15.216 -3.553 -0.705 313 HD1 PHE 48 2HD PHE 48 -11.623 -2.404 -0.513 314 HD2 PHE 48 1HD PHE 48 -15.126 -3.735 1.633 315 HE1 PHE 48 2HE PHE 48 -10.300 -2.607 1.554 316 HE2 PHE 48 1HE PHE 48 -13.798 -3.856 3.715 317 HZ PHE 48 HZ PHE 48 -11.359 -3.306 3.672 318 H GLU 49 H GLU 49 -14.706 -5.740 -1.986 319 HA GLU 49 HA GLU 49 -15.989 -5.832 -4.589 320 HB3 GLU 49 2HB GLU 49 -17.026 -7.903 -3.492 321 HG3 GLU 49 2HG GLU 49 -14.006 -7.980 -3.818 322 H ASP 50 H ASP 50 -16.898 -5.115 -1.234 323 HA ASP 50 HA ASP 50 -19.766 -4.813 -1.951 324 HB3 ASP 50 2HB ASP 50 -19.900 -4.304 0.593 325 H GLY 51 H GLY 51 -17.743 -3.164 -3.086 326 HA2 GLY 51 1HA GLY 51 -18.101 -1.261 -4.121 327 HA3 GLY 51 2HA GLY 51 -19.452 -0.906 -3.043 328 H ARG 52 H ARG 52 -16.410 -1.252 -1.462 329 HA ARG 52 HA ARG 52 -16.689 1.562 -0.664 330 HB3 ARG 52 2HB ARG 52 -15.875 1.023 1.390 331 HG3 ARG 52 2HG ARG 52 -17.240 -1.497 0.444 332 HD3 ARG 52 2HD ARG 52 -17.174 -0.461 3.261 333 HE ARG 52 HE ARG 52 -19.020 -2.042 2.350 334 HH11 ARG 52 1HH1 ARG 52 -16.152 -3.172 4.073 335 HH12 ARG 52 2HH1 ARG 52 -16.679 -4.775 4.316 336 HH21 ARG 52 1HH2 ARG 52 -19.941 -3.900 2.953 337 HH22 ARG 52 2HH2 ARG 52 -19.057 -5.229 3.673 338 H HIS 53 H HIS 53 -15.439 2.836 -2.040 339 HA HIS 53 HA HIS 53 -12.710 1.996 -2.819 340 HB3 HIS 53 2HB HIS 53 -14.239 4.549 -3.401 341 HD1 HIS 53 1HD HIS 53 -13.297 5.855 -5.563 342 HD2 HIS 53 2HD HIS 53 -10.668 3.051 -3.808 343 HE1 HIS 53 1HE HIS 53 -10.979 6.280 -6.566 344 H TYR 54 H TYR 54 -11.047 2.295 -1.475 345 HA TYR 54 HA TYR 54 -11.159 4.397 0.646 346 HB3 TYR 54 2HB TYR 54 -9.943 2.712 1.984 347 HD1 TYR 54 1HD TYR 54 -12.994 3.667 1.475 348 HD2 TYR 54 2HD TYR 54 -11.009 -0.058 2.247 349 HE1 TYR 54 1HE TYR 54 -14.891 2.984 2.894 350 HE2 TYR 54 2HE TYR 54 -12.941 -0.811 3.604 351 HH TYR 54 HH TYR 54 -15.314 1.378 4.812 352 H THR 55 H THR 55 -9.274 5.700 0.714 353 HA THR 55 HA THR 55 -7.209 5.513 -1.257 354 HB THR 55 HB THR 55 -6.014 7.140 0.219 355 HG1 THR 55 1HG THR 55 -8.324 7.333 1.798 356 HG21 THR 55 3HG2 THR 55 -7.581 9.013 -0.036 357 HG22 THR 55 1HG2 THR 55 -8.872 7.878 -0.437 358 HG23 THR 55 2HG2 THR 55 -7.462 8.018 -1.489 359 H PHE 56 H PHE 56 -4.806 5.397 -0.642 360 HA PHE 56 HA PHE 56 -4.219 3.575 1.538 361 HB3 PHE 56 2HB PHE 56 -2.749 2.771 -0.855 362 HD1 PHE 56 1HD PHE 56 -5.200 1.767 1.838 363 HD2 PHE 56 2HD PHE 56 -2.416 0.465 -1.174 364 HE1 PHE 56 1HE PHE 56 -5.434 -0.483 2.633 365 HE2 PHE 56 2HE PHE 56 -2.765 -1.909 -0.445 366 HZ PHE 56 HZ PHE 56 -4.280 -2.381 1.481 367 H VAL 57 H VAL 57 -2.700 4.638 2.602 368 HA VAL 57 HA VAL 57 -0.440 5.640 1.073 369 HB VAL 57 HB VAL 57 -1.810 7.620 1.687 370 HG11 VAL 57 1HG1 VAL 57 -2.074 8.393 3.918 371 HG12 VAL 57 2HG1 VAL 57 -2.665 6.722 3.914 372 HG13 VAL 57 3HG1 VAL 57 -1.078 7.086 4.591 373 HG21 VAL 57 3HG2 VAL 57 0.044 8.931 2.678 374 HG22 VAL 57 1HG2 VAL 57 0.900 7.430 3.074 375 HG23 VAL 57 2HG2 VAL 57 0.602 7.875 1.383 376 H TYR 58 H TYR 58 1.252 4.470 1.751 377 HA TYR 58 HA TYR 58 1.209 3.339 4.484 378 HB3 TYR 58 2HB TYR 58 2.811 2.455 2.053 379 HD1 TYR 58 1HD TYR 58 1.236 0.719 4.949 380 HD2 TYR 58 2HD TYR 58 4.966 1.875 3.087 381 HE1 TYR 58 1HE TYR 58 2.446 -0.727 6.513 382 HE2 TYR 58 2HE TYR 58 6.181 0.482 4.680 383 HH TYR 58 HH TYR 58 4.513 -1.668 7.071 384 H GLU 59 H GLU 59 3.005 3.990 5.787 385 HA GLU 59 HA GLU 59 5.382 4.969 4.412 386 HB3 GLU 59 2HB GLU 59 3.844 6.614 6.445 387 HG3 GLU 59 2HG GLU 59 6.181 6.436 7.322 388 H ASN 60 H ASN 60 6.817 3.586 5.132 389 HA ASN 60 HA ASN 60 8.280 2.544 6.406 390 HB3 ASN 60 2HB ASN 60 7.153 3.957 8.831 391 HD21 ASN 60 1HD2 ASN 60 8.305 2.966 10.463 392 HD22 ASN 60 2HD2 ASN 60 10.027 2.582 10.324 393 H GLU 61 H GLU 61 5.405 2.743 8.423 394 HA GLU 61 HA GLU 61 5.005 -0.093 8.673 395 HB3 GLU 61 2HB GLU 61 6.821 0.143 10.238 396 HG3 GLU 61 2HG GLU 61 5.005 2.072 11.738 397 H ASP 62 H ASP 62 3.693 2.921 8.249 398 HA ASP 62 HA ASP 62 1.243 2.391 9.854 399 HB3 ASP 62 2HB ASP 62 2.315 5.007 8.725 400 H LEU 63 H LEU 63 -0.693 2.508 8.765 401 HA LEU 63 HA LEU 63 -0.799 2.908 5.844 402 HB3 LEU 63 2HB LEU 63 -1.819 0.488 7.367 403 HG LEU 63 HG LEU 63 -3.488 1.331 5.587 404 HD11 LEU 63 1HD1 LEU 63 -1.997 2.207 3.926 405 HD12 LEU 63 2HD1 LEU 63 -2.818 0.837 3.212 406 HD13 LEU 63 3HD1 LEU 63 -1.145 0.657 3.773 407 HD21 LEU 63 3HD2 LEU 63 -2.207 -1.404 5.470 408 HD22 LEU 63 1HD2 LEU 63 -3.695 -0.973 4.578 409 HD23 LEU 63 2HD2 LEU 63 -3.646 -0.890 6.346 410 H VAL 64 H VAL 64 -2.461 4.386 5.501 411 HA VAL 64 HA VAL 64 -4.737 4.421 7.433 412 HB VAL 64 HB VAL 64 -3.276 6.859 6.356 413 HG11 VAL 64 1HG1 VAL 64 -5.620 7.390 6.891 414 HG12 VAL 64 2HG1 VAL 64 -5.457 6.602 8.480 415 HG13 VAL 64 3HG1 VAL 64 -4.563 8.087 8.109 416 HG21 VAL 64 3HG2 VAL 64 -2.508 7.163 8.725 417 HG22 VAL 64 1HG2 VAL 64 -3.140 5.540 9.098 418 HG23 VAL 64 2HG2 VAL 64 -1.796 5.754 7.957 419 H TYR 65 H TYR 65 -6.724 5.221 6.641 420 HA TYR 65 HA TYR 65 -7.329 5.733 3.868 421 HB3 TYR 65 2HB TYR 65 -6.973 3.303 3.757 422 HD1 TYR 65 2HD TYR 65 -10.112 3.095 5.762 423 HD2 TYR 65 1HD TYR 65 -5.903 2.127 5.606 424 HE1 TYR 65 2HE TYR 65 -10.344 1.768 7.814 425 HE2 TYR 65 1HE TYR 65 -6.135 0.795 7.683 426 HH TYR 65 HH TYR 65 -9.162 0.764 9.584 427 H GLU 66 H GLU 66 -9.609 6.353 3.655 428 HA GLU 66 HA GLU 66 -11.191 5.348 5.777 429 HB3 GLU 66 2HB GLU 66 -11.823 8.246 5.340 430 HG3 GLU 66 2HG GLU 66 -12.040 6.117 7.484 431 H GLU 67 H GLU 67 -12.287 7.812 3.399 432 HA GLU 67 HA GLU 67 -13.052 5.708 1.546 433 HB3 GLU 67 2HB GLU 67 -15.167 7.271 3.079 434 HG3 GLU 67 2HG GLU 67 -15.396 5.330 0.723 435 H GLU 68 H GLU 68 -13.676 6.491 -0.497 436 HA GLU 68 HA GLU 68 -12.412 8.983 -1.193 437 HB3 GLU 68 2HB GLU 68 -14.002 7.400 -3.180 438 HG3 GLU 68 2HG GLU 68 -12.263 9.397 -3.628 439 H VAL 69 H VAL 69 -14.627 9.585 0.403 440 HA VAL 69 HA VAL 69 -16.757 10.700 -1.188 441 HB VAL 69 HB VAL 69 -17.315 10.400 1.050 442 HG11 VAL 69 1HG1 VAL 69 -16.124 11.460 2.984 443 HG12 VAL 69 2HG1 VAL 69 -15.184 10.202 2.190 444 HG13 VAL 69 3HG1 VAL 69 -14.825 11.919 1.892 445 HG21 VAL 69 3HG2 VAL 69 -18.037 12.587 1.733 446 HG22 VAL 69 1HG2 VAL 69 -16.686 13.364 0.899 447 HG23 VAL 69 2HG2 VAL 69 -17.988 12.598 -0.027 448 H LEU 70 H LEU 70 -16.585 12.290 -2.474 449 HA LEU 70 HA LEU 70 -14.665 14.501 -2.060 450 HB3 LEU 70 2HB LEU 70 -14.037 14.712 -4.371 451 HG LEU 70 HG LEU 70 -13.607 11.846 -3.436 452 HD11 LEU 70 1HD1 LEU 70 -13.672 11.900 -5.882 453 HD12 LEU 70 2HD1 LEU 70 -12.068 11.584 -5.230 454 HD13 LEU 70 3HD1 LEU 70 -12.449 13.196 -5.886 455 HD21 LEU 70 3HD2 LEU 70 -11.324 12.598 -3.031 456 HD22 LEU 70 1HD2 LEU 70 -12.417 13.715 -2.198 457 HD23 LEU 70 2HD2 LEU 70 -11.676 14.188 -3.734 Start of MODEL 18 1 H1 GLY 1 H GLY 1 31.906 -7.412 3.832 2 HA2 GLY 1 1HA GLY 1 34.117 -5.510 4.419 3 HA3 GLY 1 2HA GLY 1 33.683 -6.032 2.779 4 H ASP 2 H ASP 2 31.878 -5.163 1.745 5 HA ASP 2 HA ASP 2 30.481 -2.975 3.129 6 HB3 ASP 2 2HB ASP 2 30.766 -1.795 0.866 7 H ASP 3 H ASP 3 28.883 -2.265 0.988 8 HA ASP 3 HA ASP 3 26.850 -2.633 0.116 9 HB3 ASP 3 2HB ASP 3 25.899 -4.859 -0.310 10 H ARG 4 H ARG 4 25.581 -1.656 1.729 11 HA ARG 4 HA ARG 4 24.247 -3.586 3.461 12 HB3 ARG 4 2HB ARG 4 26.126 -3.079 4.876 13 HG3 ARG 4 2HG ARG 4 25.753 -0.535 5.931 14 HD3 ARG 4 2HD ARG 4 27.884 0.115 4.812 15 HE ARG 4 HE ARG 4 27.622 -2.133 6.536 16 HH11 ARG 4 1HH1 ARG 4 30.030 -0.631 4.382 17 HH12 ARG 4 2HH1 ARG 4 31.326 -1.626 4.880 18 HH21 ARG 4 1HH2 ARG 4 29.319 -3.352 7.321 19 HH22 ARG 4 2HH2 ARG 4 30.903 -3.275 6.571 20 H LYS 5 H LYS 5 23.786 -1.164 1.291 21 HA LYS 5 HA LYS 5 21.627 0.037 2.766 22 HB3 LYS 5 2HB LYS 5 23.279 1.487 0.680 23 HG3 LYS 5 2HG LYS 5 21.724 2.377 3.161 24 HD3 LYS 5 2HD LYS 5 21.835 4.642 2.201 25 HE3 LYS 5 2HE LYS 5 24.642 3.536 2.462 26 HZ1 LYS 5 3HZ LYS 5 24.017 6.059 2.112 27 HZ2 LYS 5 1HZ LYS 5 25.267 5.572 3.069 28 HZ3 LYS 5 2HZ LYS 5 23.867 5.997 3.768 29 H LEU 6 H LEU 6 19.913 -1.167 1.934 30 HA LEU 6 HA LEU 6 19.705 -1.407 -1.042 31 HB3 LEU 6 2HB LEU 6 18.152 -3.212 -0.634 32 HG LEU 6 HG LEU 6 20.490 -3.675 1.271 33 HD11 LEU 6 1HD1 LEU 6 20.135 -6.052 0.743 34 HD12 LEU 6 2HD1 LEU 6 18.771 -5.629 -0.320 35 HD13 LEU 6 3HD1 LEU 6 18.667 -5.334 1.422 36 HD21 LEU 6 3HD2 LEU 6 21.646 -4.728 -0.659 37 HD22 LEU 6 1HD2 LEU 6 21.424 -2.993 -0.871 38 HD23 LEU 6 2HD2 LEU 6 20.355 -4.134 -1.739 39 H MET 7 H MET 7 17.461 -1.080 -1.922 40 HA MET 7 HA MET 7 15.771 0.763 -0.309 41 HB3 MET 7 2HB MET 7 14.992 1.578 -2.595 42 HG3 MET 7 2HG MET 7 17.698 2.481 -2.813 43 HE1 MET 7 3HE MET 7 14.292 4.869 -0.766 44 HE2 MET 7 1HE MET 7 14.078 3.156 -1.169 45 HE3 MET 7 2HE MET 7 15.269 3.640 0.067 46 H LYS 8 H LYS 8 13.462 0.578 -0.936 47 HA LYS 8 HA LYS 8 12.643 -2.209 -0.983 48 HB3 LYS 8 2HB LYS 8 10.318 -1.098 -0.897 49 HG3 LYS 8 2HG LYS 8 10.676 -0.066 1.399 50 HD3 LYS 8 2HD LYS 8 11.665 -2.876 0.832 51 HE3 LYS 8 2HE LYS 8 10.590 -1.891 3.483 52 HZ1 LYS 8 3HZ LYS 8 12.530 -3.989 2.765 53 HZ2 LYS 8 1HZ LYS 8 10.916 -4.266 3.011 54 HZ3 LYS 8 2HZ LYS 8 11.853 -3.733 4.268 55 H THR 9 H THR 9 10.603 -2.685 -2.468 56 HA THR 9 HA THR 9 11.182 -1.833 -5.233 57 HB THR 9 HB THR 9 10.935 -4.250 -5.844 58 HG1 THR 9 1HG THR 9 11.256 -5.771 -4.172 59 HG21 THR 9 3HG2 THR 9 13.164 -3.147 -5.574 60 HG22 THR 9 1HG2 THR 9 13.152 -4.900 -5.329 61 HG23 THR 9 2HG2 THR 9 13.248 -3.812 -3.927 62 H GLN 10 H GLN 10 9.415 -2.645 -6.703 63 HA GLN 10 HA GLN 10 6.875 -1.771 -5.846 64 HB3 GLN 10 2HB GLN 10 7.134 -3.715 -8.157 65 HG3 GLN 10 2HG GLN 10 6.225 -1.563 -9.347 66 HE21 GLN 10 1HE2 GLN 10 4.035 -1.642 -6.776 67 HE22 GLN 10 2HE2 GLN 10 2.930 -2.783 -7.504 68 H GLU 11 H GLU 11 8.359 -5.004 -6.147 69 HA GLU 11 HA GLU 11 6.111 -6.480 -5.400 70 HB3 GLU 11 2HB GLU 11 8.500 -7.786 -4.398 71 HG3 GLU 11 2HG GLU 11 7.051 -8.248 -7.039 72 H GLU 12 H GLU 12 8.770 -5.313 -3.268 73 HA GLU 12 HA GLU 12 7.842 -6.330 -0.793 74 HB3 GLU 12 2HB GLU 12 9.008 -3.993 -0.038 75 HG3 GLU 12 2HG GLU 12 11.282 -5.221 -0.807 76 H LEU 13 H LEU 13 7.416 -3.074 -2.201 77 HA LEU 13 HA LEU 13 5.947 -2.102 -0.022 78 HB3 LEU 13 2HB LEU 13 5.307 -0.224 -1.656 79 HG LEU 13 HG LEU 13 8.194 -1.154 -1.448 80 HD11 LEU 13 1HD1 LEU 13 8.926 0.987 -2.370 81 HD12 LEU 13 2HD1 LEU 13 7.248 1.458 -2.684 82 HD13 LEU 13 3HD1 LEU 13 7.963 0.106 -3.560 83 HD21 LEU 13 3HD2 LEU 13 7.158 -0.321 0.625 84 HD22 LEU 13 1HD2 LEU 13 6.695 1.182 -0.181 85 HD23 LEU 13 2HD2 LEU 13 8.408 0.778 0.063 86 H THR 14 H THR 14 4.803 -3.586 -3.047 87 HA THR 14 HA THR 14 2.007 -3.261 -2.408 88 HB THR 14 HB THR 14 3.298 -5.263 -4.298 89 HG1 THR 14 1HG THR 14 4.066 -3.501 -5.037 90 HG21 THR 14 3HG2 THR 14 0.825 -5.551 -3.949 91 HG22 THR 14 1HG2 THR 14 1.192 -4.999 -5.581 92 HG23 THR 14 2HG2 THR 14 0.580 -3.841 -4.367 93 H GLU 15 H GLU 15 4.394 -5.982 -1.796 94 HA GLU 15 HA GLU 15 2.449 -7.846 -0.874 95 HB3 GLU 15 2HB GLU 15 4.520 -8.593 0.527 96 HG3 GLU 15 2HG GLU 15 5.615 -9.701 -1.296 97 H ILE 16 H ILE 16 4.423 -5.426 0.925 98 HA ILE 16 HA ILE 16 3.471 -5.946 3.464 99 HB ILE 16 HB ILE 16 4.184 -3.280 2.171 100 HG13 ILE 16 2HG1 ILE 16 5.952 -5.227 2.280 101 HG21 ILE 16 1HG2 ILE 16 3.902 -3.995 5.118 102 HG22 ILE 16 2HG2 ILE 16 4.710 -2.527 4.545 103 HG23 ILE 16 3HG2 ILE 16 3.002 -2.755 4.208 104 HD11 ILE 16 3HD1 ILE 16 7.753 -3.732 2.626 105 HD12 ILE 16 1HD1 ILE 16 6.478 -2.730 1.938 106 HD13 ILE 16 2HD1 ILE 16 6.801 -2.677 3.688 107 H VAL 17 H VAL 17 1.937 -3.796 1.043 108 HA VAL 17 HA VAL 17 -0.187 -3.080 2.907 109 HB VAL 17 HB VAL 17 0.286 -2.477 -0.040 110 HG11 VAL 17 1HG1 VAL 17 -1.438 -0.639 0.342 111 HG12 VAL 17 2HG1 VAL 17 -2.078 -2.276 0.229 112 HG13 VAL 17 3HG1 VAL 17 -1.907 -1.518 1.817 113 HG21 VAL 17 3HG2 VAL 17 0.738 -0.172 0.994 114 HG22 VAL 17 1HG2 VAL 17 0.689 -0.953 2.582 115 HG23 VAL 17 2HG2 VAL 17 1.914 -1.414 1.377 116 H ARG 18 H ARG 18 0.132 -5.531 0.287 117 HA ARG 18 HA ARG 18 -2.681 -6.228 0.327 118 HB3 ARG 18 2HB ARG 18 -0.363 -8.109 -0.314 119 HG3 ARG 18 2HG ARG 18 -3.047 -7.798 -1.723 120 HD3 ARG 18 2HD ARG 18 -2.778 -10.298 -1.981 121 HE ARG 18 HE ARG 18 -1.884 -8.594 -3.733 122 HH11 ARG 18 1HH1 ARG 18 0.113 -11.238 -2.361 123 HH12 ARG 18 2HH1 ARG 18 0.589 -11.838 -3.902 124 HH21 ARG 18 1HH2 ARG 18 -0.912 -9.115 -5.660 125 HH22 ARG 18 2HH2 ARG 18 0.006 -10.561 -5.884 126 H ASP 19 H ASP 19 0.244 -7.491 1.985 127 HA ASP 19 HA ASP 19 -0.914 -9.788 3.069 128 HB3 ASP 19 2HB ASP 19 1.476 -8.177 4.073 129 H HIS 20 H HIS 20 -1.203 -6.547 4.032 130 HA HIS 20 HA HIS 20 -2.049 -7.262 6.836 131 HB3 HIS 20 2HB HIS 20 -2.419 -4.749 6.962 132 HD1 HIS 20 1HD HIS 20 -0.887 -4.123 8.953 133 HD2 HIS 20 2HD HIS 20 0.972 -6.514 5.981 134 HE1 HIS 20 1HE HIS 20 1.442 -4.645 9.794 135 H PHE 21 H PHE 21 -3.497 -6.426 3.707 136 HA PHE 21 HA PHE 21 -6.037 -5.687 5.024 137 HB3 PHE 21 2HB PHE 21 -5.417 -5.404 2.097 138 HD1 PHE 21 2HD PHE 21 -8.180 -5.214 3.822 139 HD2 PHE 21 1HD PHE 21 -5.285 -2.361 2.405 140 HE1 PHE 21 2HE PHE 21 -9.868 -3.418 3.987 141 HE2 PHE 21 1HE PHE 21 -6.983 -0.596 2.513 142 HZ PHE 21 HZ PHE 21 -9.293 -1.107 3.323 143 H SER 22 H SER 22 -4.576 -8.317 3.188 144 HA SER 22 HA SER 22 -6.828 -9.321 1.847 145 HB3 SER 22 2HB SER 22 -4.600 -10.936 3.130 146 HG SER 22 HG SER 22 -5.100 -12.388 1.680 147 H ASP 23 H ASP 23 -6.091 -9.343 5.228 148 HA ASP 23 HA ASP 23 -8.005 -11.487 5.949 149 HB3 ASP 23 2HB ASP 23 -7.378 -10.669 8.316 150 H MET 24 H MET 24 -8.077 -8.071 5.388 151 HA MET 24 HA MET 24 -10.100 -7.556 7.490 152 HB3 MET 24 2HB MET 24 -9.618 -5.185 7.098 153 HG3 MET 24 2HG MET 24 -7.014 -6.682 7.461 154 HE1 MET 24 3HE MET 24 -5.603 -4.423 6.914 155 HE2 MET 24 1HE MET 24 -7.136 -3.650 6.440 156 HE3 MET 24 2HE MET 24 -6.042 -2.843 7.579 157 H GLY 25 H GLY 25 -10.374 -8.632 4.377 158 HA2 GLY 25 1HA GLY 25 -13.005 -8.679 4.329 159 HA3 GLY 25 2HA GLY 25 -12.779 -7.032 3.745 160 H GLU 26 H GLU 26 -13.539 -7.382 1.680 161 HA GLU 26 HA GLU 26 -12.196 -9.403 -0.050 162 HB3 GLU 26 2HB GLU 26 -14.454 -9.325 -1.274 163 HG3 GLU 26 2HG GLU 26 -13.722 -10.662 1.312 164 H ILE 27 H ILE 27 -10.699 -8.040 -0.627 165 HA ILE 27 HA ILE 27 -11.137 -5.420 -1.843 166 HB ILE 27 HB ILE 27 -8.725 -7.285 -2.041 167 HG13 ILE 27 2HG1 ILE 27 -9.424 -6.401 0.324 168 HG21 ILE 27 1HG2 ILE 27 -9.175 -4.363 -2.768 169 HG22 ILE 27 2HG2 ILE 27 -7.561 -5.057 -2.544 170 HG23 ILE 27 3HG2 ILE 27 -8.621 -5.704 -3.803 171 HD11 ILE 27 3HD1 ILE 27 -7.301 -7.515 -0.080 172 HD12 ILE 27 1HD1 ILE 27 -6.588 -5.969 -0.603 173 HD13 ILE 27 2HD1 ILE 27 -7.180 -6.181 1.058 174 H ALA 28 H ALA 28 -12.158 -5.238 -3.759 175 HA ALA 28 HA ALA 28 -12.455 -7.474 -5.641 176 HB1 ALA 28 1HB ALA 28 -13.658 -5.832 -7.012 177 HB2 ALA 28 2HB ALA 28 -14.290 -5.857 -5.361 178 HB3 ALA 28 3HB ALA 28 -13.234 -4.528 -5.886 179 H THR 29 H THR 29 -10.729 -4.360 -5.328 180 HA THR 29 HA THR 29 -8.920 -5.112 -7.578 181 HB THR 29 HB THR 29 -10.168 -2.408 -7.011 182 HG1 THR 29 1HG THR 29 -11.381 -2.854 -8.850 183 HG21 THR 29 3HG2 THR 29 -8.436 -3.381 -9.330 184 HG22 THR 29 1HG2 THR 29 -7.950 -2.188 -8.086 185 HG23 THR 29 2HG2 THR 29 -9.234 -1.803 -9.234 186 H LEU 30 H LEU 30 -7.050 -5.556 -6.536 187 HA LEU 30 HA LEU 30 -6.001 -3.642 -4.550 188 HB3 LEU 30 2HB LEU 30 -5.111 -6.432 -5.302 189 HG LEU 30 HG LEU 30 -3.896 -6.482 -3.216 190 HD11 LEU 30 1HD1 LEU 30 -1.906 -5.376 -3.768 191 HD12 LEU 30 2HD1 LEU 30 -2.728 -4.116 -4.701 192 HD13 LEU 30 3HD1 LEU 30 -2.669 -5.785 -5.310 193 HD21 LEU 30 3HD2 LEU 30 -4.338 -3.496 -2.948 194 HD22 LEU 30 1HD2 LEU 30 -3.426 -4.580 -1.863 195 HD23 LEU 30 2HD2 LEU 30 -5.173 -4.752 -2.013 196 H TYR 31 H TYR 31 -4.613 -2.147 -5.409 197 HA TYR 31 HA TYR 31 -2.747 -2.914 -7.427 198 HB3 TYR 31 2HB TYR 31 -4.712 -2.272 -8.841 199 HD1 TYR 31 1HD TYR 31 -5.365 -0.346 -6.209 200 HD2 TYR 31 2HD TYR 31 -4.570 0.272 -10.403 201 HE1 TYR 31 1HE TYR 31 -6.850 1.567 -6.179 202 HE2 TYR 31 2HE TYR 31 -5.984 2.307 -10.340 203 HH TYR 31 HH TYR 31 -7.245 3.523 -7.256 204 H VAL 32 H VAL 32 -1.328 -0.969 -7.886 205 HA VAL 32 HA VAL 32 -1.118 0.864 -5.575 206 HB VAL 32 HB VAL 32 1.009 0.009 -7.556 207 HG11 VAL 32 1HG1 VAL 32 2.653 0.891 -5.925 208 HG12 VAL 32 2HG1 VAL 32 1.757 1.986 -6.931 209 HG13 VAL 32 3HG1 VAL 32 1.294 1.791 -5.196 210 HG21 VAL 32 3HG2 VAL 32 0.522 -1.959 -6.154 211 HG22 VAL 32 1HG2 VAL 32 1.993 -1.230 -5.530 212 HG23 VAL 32 2HG2 VAL 32 0.454 -0.939 -4.696 213 H GLN 33 H GLN 33 -1.031 3.162 -6.303 214 HA GLN 33 HA GLN 33 -1.033 3.400 -9.297 215 HB3 GLN 33 2HB GLN 33 -2.088 5.570 -8.943 216 HG3 GLN 33 2HG GLN 33 -3.826 3.424 -7.664 217 HE21 GLN 33 1HE2 GLN 33 -4.897 5.695 -7.259 218 HE22 GLN 33 2HE2 GLN 33 -5.967 6.260 -8.525 219 H VAL 34 H VAL 34 1.059 3.511 -6.786 220 HA VAL 34 HA VAL 34 2.717 5.679 -7.924 221 HB VAL 34 HB VAL 34 1.741 5.801 -5.060 222 HG11 VAL 34 1HG1 VAL 34 4.007 6.614 -5.242 223 HG12 VAL 34 2HG1 VAL 34 3.539 7.744 -6.520 224 HG13 VAL 34 3HG1 VAL 34 2.891 7.925 -4.881 225 HG21 VAL 34 3HG2 VAL 34 1.059 7.577 -7.462 226 HG22 VAL 34 1HG2 VAL 34 -0.090 6.570 -6.537 227 HG23 VAL 34 2HG2 VAL 34 0.669 7.972 -5.784 228 H TYR 35 H TYR 35 4.366 4.346 -8.341 229 HA TYR 35 HA TYR 35 5.400 2.598 -6.185 230 HB3 TYR 35 2HB TYR 35 5.782 2.526 -9.163 231 HD1 TYR 35 2HD TYR 35 7.111 1.293 -5.823 232 HD2 TYR 35 1HD TYR 35 7.572 1.306 -10.132 233 HE1 TYR 35 2HE TYR 35 9.308 0.344 -5.563 234 HE2 TYR 35 1HE TYR 35 9.758 0.245 -9.886 235 HH TYR 35 HH TYR 35 11.249 -0.759 -8.443 236 H GLU 36 H GLU 36 6.483 4.024 -4.873 237 HA GLU 36 HA GLU 36 8.443 5.828 -6.188 238 HB3 GLU 36 2HB GLU 36 9.090 5.770 -3.520 239 HG3 GLU 36 2HG GLU 36 8.765 7.773 -4.932 240 H SER 37 H SER 37 10.459 5.224 -6.650 241 HA SER 37 HA SER 37 11.604 2.744 -5.484 242 HB3 SER 37 2HB SER 37 10.795 2.330 -7.654 243 HG SER 37 HG SER 37 11.100 3.569 -9.390 244 H SER 38 H SER 38 11.932 5.992 -5.420 245 HA SER 38 HA SER 38 14.837 5.850 -4.775 246 HB3 SER 38 2HB SER 38 13.195 8.364 -5.289 247 HG SER 38 HG SER 38 15.268 9.181 -5.755 248 H LEU 39 H LEU 39 11.833 5.441 -3.486 249 HA LEU 39 HA LEU 39 12.496 6.306 -0.839 250 HB3 LEU 39 2HB LEU 39 10.131 7.330 -0.597 251 HG LEU 39 HG LEU 39 12.070 8.943 -2.300 252 HD11 LEU 39 1HD1 LEU 39 9.848 9.896 -0.466 253 HD12 LEU 39 2HD1 LEU 39 9.701 9.773 -2.240 254 HD13 LEU 39 3HD1 LEU 39 10.880 10.868 -1.521 255 HD21 LEU 39 3HD2 LEU 39 11.773 8.531 0.710 256 HD22 LEU 39 1HD2 LEU 39 12.556 9.959 0.038 257 HD23 LEU 39 2HD2 LEU 39 13.233 8.354 -0.286 258 H GLU 40 H GLU 40 10.125 5.599 0.320 259 HA GLU 40 HA GLU 40 9.470 2.928 -0.659 260 HB3 GLU 40 2HB GLU 40 9.822 1.963 1.413 261 HG3 GLU 40 2HG GLU 40 12.088 2.758 0.256 262 H SER 41 H SER 41 7.639 3.796 -1.431 263 HA SER 41 HA SER 41 5.599 4.642 0.587 264 HB3 SER 41 2HB SER 41 6.022 6.028 -2.095 265 HG SER 41 HG SER 41 4.215 6.819 -0.056 266 H LEU 42 H LEU 42 3.478 4.005 -0.010 267 HA LEU 42 HA LEU 42 3.008 2.631 -2.550 268 HB3 LEU 42 2HB LEU 42 2.359 1.375 0.156 269 HG LEU 42 HG LEU 42 1.907 -0.698 -0.975 270 HD11 LEU 42 1HD1 LEU 42 0.265 1.140 -2.681 271 HD12 LEU 42 2HD1 LEU 42 -0.019 1.021 -0.926 272 HD13 LEU 42 3HD1 LEU 42 -0.149 -0.404 -1.957 273 HD21 LEU 42 3HD2 LEU 42 2.031 -1.157 -3.215 274 HD22 LEU 42 1HD2 LEU 42 3.546 -0.417 -2.775 275 HD23 LEU 42 2HD2 LEU 42 2.352 0.553 -3.634 276 H VAL 43 H VAL 43 1.165 3.481 -3.330 277 HA VAL 43 HA VAL 43 -1.031 3.815 -1.401 278 HB VAL 43 HB VAL 43 0.184 6.033 -2.223 279 HG11 VAL 43 1HG1 VAL 43 -0.232 5.469 -4.613 280 HG12 VAL 43 2HG1 VAL 43 -1.861 6.093 -4.346 281 HG13 VAL 43 3HG1 VAL 43 -0.484 7.142 -4.035 282 HG21 VAL 43 3HG2 VAL 43 -1.835 7.329 -1.796 283 HG22 VAL 43 1HG2 VAL 43 -2.862 5.914 -2.113 284 HG23 VAL 43 2HG2 VAL 43 -1.776 5.942 -0.715 285 H GLY 44 H GLY 44 -3.109 3.780 -2.584 286 HA2 GLY 44 1HA GLY 44 -3.173 4.376 -5.182 287 HA3 GLY 44 2HA GLY 44 -3.159 2.628 -5.280 288 H GLY 45 H GLY 45 -4.853 3.083 -2.355 289 HA2 GLY 45 1HA GLY 45 -7.175 3.063 -2.076 290 HA3 GLY 45 2HA GLY 45 -7.445 3.401 -3.744 291 H VAL 46 H VAL 46 -8.598 1.398 -2.022 292 HA VAL 46 HA VAL 46 -8.174 -0.926 -3.765 293 HB VAL 46 HB VAL 46 -8.644 -2.335 -1.605 294 HG11 VAL 46 1HG1 VAL 46 -5.864 -1.240 -2.127 295 HG12 VAL 46 2HG1 VAL 46 -6.269 -2.710 -1.209 296 HG13 VAL 46 3HG1 VAL 46 -6.673 -2.611 -2.928 297 HG21 VAL 46 3HG2 VAL 46 -7.757 -1.622 0.412 298 HG22 VAL 46 1HG2 VAL 46 -7.052 -0.124 -0.247 299 HG23 VAL 46 2HG2 VAL 46 -8.810 -0.297 -0.057 300 H ILE 47 H ILE 47 -10.072 -1.363 -4.657 301 HA ILE 47 HA ILE 47 -12.534 -0.242 -3.458 302 HB ILE 47 HB ILE 47 -12.112 -1.695 -6.114 303 HG13 ILE 47 2HG1 ILE 47 -11.840 1.178 -5.283 304 HG21 ILE 47 1HG2 ILE 47 -14.478 -0.123 -5.005 305 HG22 ILE 47 2HG2 ILE 47 -14.329 -0.721 -6.665 306 HG23 ILE 47 3HG2 ILE 47 -14.414 -1.872 -5.352 307 HD11 ILE 47 3HD1 ILE 47 -10.342 1.351 -7.197 308 HD12 ILE 47 1HD1 ILE 47 -9.864 -0.065 -6.250 309 HD13 ILE 47 2HD1 ILE 47 -10.798 -0.264 -7.756 310 H PHE 48 H PHE 48 -13.836 -1.559 -2.201 311 HA PHE 48 HA PHE 48 -13.383 -4.489 -2.118 312 HB3 PHE 48 2HB PHE 48 -15.599 -4.132 -0.649 313 HD1 PHE 48 2HD PHE 48 -11.919 -3.569 -0.406 314 HD2 PHE 48 1HD PHE 48 -15.598 -4.482 1.684 315 HE1 PHE 48 2HE PHE 48 -10.639 -4.143 1.608 316 HE2 PHE 48 1HE PHE 48 -14.299 -5.059 3.690 317 HZ PHE 48 HZ PHE 48 -11.826 -4.836 3.688 318 H GLU 49 H GLU 49 -15.056 -5.916 -2.612 319 HA GLU 49 HA GLU 49 -16.693 -5.337 -4.871 320 HB3 GLU 49 2HB GLU 49 -17.682 -7.584 -3.257 321 HG3 GLU 49 2HG GLU 49 -16.457 -8.827 -5.143 322 H ASP 50 H ASP 50 -17.138 -4.601 -1.596 323 HA ASP 50 HA ASP 50 -20.066 -4.221 -1.844 324 HB3 ASP 50 2HB ASP 50 -18.522 -3.753 0.687 325 H GLY 51 H GLY 51 -17.668 -2.473 -2.957 326 HA2 GLY 51 1HA GLY 51 -17.728 -0.304 -3.713 327 HA3 GLY 51 2HA GLY 51 -19.141 0.013 -2.691 328 H ARG 52 H ARG 52 -17.084 -1.289 -0.598 329 HA ARG 52 HA ARG 52 -16.564 1.230 0.727 330 HB3 ARG 52 2HB ARG 52 -15.850 -0.097 2.586 331 HG3 ARG 52 2HG ARG 52 -18.037 -1.613 1.089 332 HD3 ARG 52 2HD ARG 52 -16.986 -2.850 3.040 333 HE ARG 52 HE ARG 52 -17.740 -0.452 4.428 334 HH11 ARG 52 1HH1 ARG 52 -18.318 -3.974 4.732 335 HH12 ARG 52 2HH1 ARG 52 -18.144 -3.971 6.469 336 HH21 ARG 52 1HH2 ARG 52 -17.789 -0.473 6.749 337 HH22 ARG 52 2HH2 ARG 52 -17.982 -1.975 7.613 338 H HIS 53 H HIS 53 -15.217 2.290 -0.751 339 HA HIS 53 HA HIS 53 -12.624 1.122 -1.488 340 HB3 HIS 53 2HB HIS 53 -13.877 3.792 -2.239 341 HD1 HIS 53 1HD HIS 53 -13.053 4.168 -5.021 342 HD2 HIS 53 2HD HIS 53 -10.449 2.287 -2.288 343 HE1 HIS 53 1HE HIS 53 -10.693 4.345 -5.984 344 H TYR 54 H TYR 54 -10.854 1.580 -0.252 345 HA TYR 54 HA TYR 54 -10.859 4.046 1.427 346 HB3 TYR 54 2HB TYR 54 -9.473 2.818 3.079 347 HD1 TYR 54 1HD TYR 54 -11.438 3.944 4.234 348 HD2 TYR 54 2HD TYR 54 -11.767 0.052 2.428 349 HE1 TYR 54 1HE TYR 54 -13.511 3.479 5.555 350 HE2 TYR 54 2HE TYR 54 -13.749 -0.438 3.770 351 HH TYR 54 HH TYR 54 -15.016 0.241 5.595 352 H THR 55 H THR 55 -8.832 5.115 1.428 353 HA THR 55 HA THR 55 -6.912 4.067 -0.563 354 HB THR 55 HB THR 55 -7.941 5.930 -1.436 355 HG1 THR 55 1HG THR 55 -5.419 6.915 -0.731 356 HG21 THR 55 3HG2 THR 55 -7.001 7.569 0.924 357 HG22 THR 55 1HG2 THR 55 -8.685 7.166 0.498 358 HG23 THR 55 2HG2 THR 55 -7.721 8.177 -0.588 359 H PHE 56 H PHE 56 -5.597 2.842 0.367 360 HA PHE 56 HA PHE 56 -4.420 3.514 2.918 361 HB3 PHE 56 2HB PHE 56 -2.882 1.498 2.010 362 HD1 PHE 56 1HD PHE 56 -6.352 2.119 3.340 363 HD2 PHE 56 2HD PHE 56 -2.891 -0.463 3.338 364 HE1 PHE 56 1HE PHE 56 -7.275 0.835 5.254 365 HE2 PHE 56 2HE PHE 56 -3.857 -1.760 5.204 366 HZ PHE 56 HZ PHE 56 -6.048 -1.107 6.156 367 H VAL 57 H VAL 57 -2.631 4.561 3.306 368 HA VAL 57 HA VAL 57 -0.677 4.899 1.150 369 HB VAL 57 HB VAL 57 -2.130 6.879 1.142 370 HG11 VAL 57 1HG1 VAL 57 -2.304 8.474 2.839 371 HG12 VAL 57 2HG1 VAL 57 -2.719 6.924 3.574 372 HG13 VAL 57 3HG1 VAL 57 -1.116 7.646 3.862 373 HG21 VAL 57 3HG2 VAL 57 0.241 7.018 0.461 374 HG22 VAL 57 1HG2 VAL 57 -0.361 8.540 1.139 375 HG23 VAL 57 2HG2 VAL 57 0.682 7.488 2.116 376 H TYR 58 H TYR 58 1.043 3.966 1.894 377 HA TYR 58 HA TYR 58 1.552 3.727 4.824 378 HB3 TYR 58 2HB TYR 58 2.973 2.470 2.439 379 HD1 TYR 58 2HD TYR 58 2.300 2.129 6.167 380 HD2 TYR 58 1HD TYR 58 4.869 1.134 2.848 381 HE1 TYR 58 2HE TYR 58 3.674 0.765 7.655 382 HE2 TYR 58 1HE TYR 58 6.260 -0.243 4.349 383 HH TYR 58 HH TYR 58 5.120 -1.321 7.366 384 H GLU 59 H GLU 59 3.074 5.067 5.814 385 HA GLU 59 HA GLU 59 5.213 6.182 4.108 386 HB3 GLU 59 2HB GLU 59 3.767 8.024 4.407 387 HG3 GLU 59 2HG GLU 59 3.872 7.484 7.394 388 H ASN 60 H ASN 60 6.750 4.878 4.634 389 HA ASN 60 HA ASN 60 8.372 3.832 5.636 390 HB3 ASN 60 2HB ASN 60 8.341 5.515 8.118 391 HD21 ASN 60 1HD2 ASN 60 9.889 3.733 8.807 392 HD22 ASN 60 2HD2 ASN 60 11.455 3.662 8.035 393 H GLU 61 H GLU 61 6.312 4.528 8.449 394 HA GLU 61 HA GLU 61 5.999 1.621 8.922 395 HB3 GLU 61 2HB GLU 61 6.622 1.634 11.224 396 HG3 GLU 61 2HG GLU 61 8.821 3.172 9.844 397 H ASP 62 H ASP 62 4.604 4.673 8.674 398 HA ASP 62 HA ASP 62 2.331 4.130 10.503 399 HB3 ASP 62 2HB ASP 62 1.920 6.501 9.005 400 H LEU 63 H LEU 63 0.417 3.373 9.570 401 HA LEU 63 HA LEU 63 0.245 3.317 6.587 402 HB3 LEU 63 2HB LEU 63 -1.250 1.213 8.066 403 HG LEU 63 HG LEU 63 0.751 0.536 5.945 404 HD11 LEU 63 1HD1 LEU 63 -2.040 -0.444 6.531 405 HD12 LEU 63 2HD1 LEU 63 -0.539 -1.151 7.191 406 HD13 LEU 63 3HD1 LEU 63 -0.849 -1.227 5.448 407 HD21 LEU 63 3HD2 LEU 63 -0.498 2.417 4.807 408 HD22 LEU 63 1HD2 LEU 63 -1.983 1.479 5.011 409 HD23 LEU 63 2HD2 LEU 63 -0.657 0.835 4.055 410 H VAL 64 H VAL 64 -1.053 5.084 6.256 411 HA VAL 64 HA VAL 64 -3.234 5.655 8.159 412 HB VAL 64 HB VAL 64 -2.074 7.179 5.804 413 HG11 VAL 64 1HG1 VAL 64 -4.339 7.986 6.111 414 HG12 VAL 64 2HG1 VAL 64 -4.106 8.108 7.872 415 HG13 VAL 64 3HG1 VAL 64 -3.229 9.178 6.746 416 HG21 VAL 64 3HG2 VAL 64 -0.440 7.003 7.603 417 HG22 VAL 64 1HG2 VAL 64 -1.056 8.639 7.541 418 HG23 VAL 64 2HG2 VAL 64 -1.641 7.509 8.800 419 H TYR 65 H TYR 65 -5.380 6.178 7.294 420 HA TYR 65 HA TYR 65 -6.164 5.394 4.637 421 HB3 TYR 65 2HB TYR 65 -6.485 3.218 5.464 422 HD1 TYR 65 2HD TYR 65 -8.684 5.063 8.010 423 HD2 TYR 65 1HD TYR 65 -5.904 1.876 7.200 424 HE1 TYR 65 2HE TYR 65 -8.591 4.516 10.417 425 HE2 TYR 65 1HE TYR 65 -5.704 1.400 9.602 426 HH TYR 65 HH TYR 65 -6.785 3.390 12.038 427 H GLU 66 H GLU 66 -8.198 5.956 4.070 428 HA GLU 66 HA GLU 66 -10.037 7.214 5.798 429 HB3 GLU 66 2HB GLU 66 -8.375 8.806 3.819 430 HG3 GLU 66 2HG GLU 66 -10.627 9.270 3.163 431 H GLU 67 H GLU 67 -12.023 7.507 4.430 432 HA GLU 67 HA GLU 67 -12.321 5.271 2.545 433 HB3 GLU 67 2HB GLU 67 -14.464 7.128 3.673 434 HG3 GLU 67 2HG GLU 67 -14.387 4.284 2.601 435 H GLU 68 H GLU 68 -13.008 5.580 0.381 436 HA GLU 68 HA GLU 68 -11.845 8.022 -0.629 437 HB3 GLU 68 2HB GLU 68 -12.839 5.994 -2.586 438 HG3 GLU 68 2HG GLU 68 -10.538 6.232 -3.427 439 H VAL 69 H VAL 69 -13.521 9.465 0.143 440 HA VAL 69 HA VAL 69 -16.158 9.204 -1.037 441 HB VAL 69 HB VAL 69 -15.244 11.466 0.735 442 HG11 VAL 69 1HG1 VAL 69 -17.966 10.219 0.123 443 HG12 VAL 69 2HG1 VAL 69 -17.657 11.547 1.260 444 HG13 VAL 69 3HG1 VAL 69 -17.386 11.797 -0.459 445 HG21 VAL 69 3HG2 VAL 69 -16.276 10.134 2.595 446 HG22 VAL 69 1HG2 VAL 69 -16.374 8.733 1.506 447 HG23 VAL 69 2HG2 VAL 69 -14.807 9.413 1.983 448 H LEU 70 H LEU 70 -15.450 9.270 -3.154 449 HA LEU 70 HA LEU 70 -15.503 10.169 -5.242 450 HB3 LEU 70 2HB LEU 70 -17.556 11.370 -5.595 451 HG LEU 70 HG LEU 70 -19.185 9.955 -4.796 452 HD11 LEU 70 1HD1 LEU 70 -16.701 8.193 -4.694 453 HD12 LEU 70 2HD1 LEU 70 -17.461 8.782 -6.173 454 HD13 LEU 70 3HD1 LEU 70 -18.342 7.683 -5.104 455 HD21 LEU 70 3HD2 LEU 70 -18.476 10.263 -2.302 456 HD22 LEU 70 1HD2 LEU 70 -17.600 8.749 -2.550 457 HD23 LEU 70 2HD2 LEU 70 -19.339 8.803 -2.780 Start of MODEL 19 1 H1 GLY 1 H GLY 1 30.237 4.079 -0.324 2 HA2 GLY 1 1HA GLY 1 32.227 4.835 0.962 3 HA3 GLY 1 2HA GLY 1 31.330 4.332 2.428 4 H ASP 2 H ASP 2 31.628 2.209 3.055 5 HA ASP 2 HA ASP 2 31.808 0.013 1.124 6 HB3 ASP 2 2HB ASP 2 30.773 0.324 3.976 7 H ASP 3 H ASP 3 29.795 -0.785 0.138 8 HA ASP 3 HA ASP 3 27.540 1.110 0.312 9 HB3 ASP 3 2HB ASP 3 28.835 0.663 -2.379 10 H ARG 4 H ARG 4 26.119 -0.271 0.897 11 HA ARG 4 HA ARG 4 25.493 -2.676 -0.776 12 HB3 ARG 4 2HB ARG 4 26.789 -3.395 1.174 13 HG3 ARG 4 2HG ARG 4 24.536 -2.250 2.894 14 HD3 ARG 4 2HD ARG 4 25.524 -4.404 3.694 15 HE ARG 4 HE ARG 4 28.064 -2.816 3.647 16 HH11 ARG 4 1HH1 ARG 4 26.600 -5.981 4.519 17 HH12 ARG 4 2HH1 ARG 4 28.153 -6.771 4.346 18 HH21 ARG 4 1HH2 ARG 4 29.932 -3.880 3.510 19 HH22 ARG 4 2HH2 ARG 4 30.045 -5.606 3.859 20 H LYS 5 H LYS 5 24.408 0.121 -0.520 21 HA LYS 5 HA LYS 5 22.167 0.101 1.222 22 HB3 LYS 5 2HB LYS 5 22.817 1.977 -1.096 23 HG3 LYS 5 2HG LYS 5 20.547 2.268 0.082 24 HD3 LYS 5 2HD LYS 5 22.443 2.690 2.426 25 HE3 LYS 5 2HE LYS 5 20.495 3.976 3.481 26 HZ1 LYS 5 3HZ LYS 5 21.114 6.064 2.172 27 HZ2 LYS 5 1HZ LYS 5 22.179 5.116 1.348 28 HZ3 LYS 5 2HZ LYS 5 22.324 5.284 2.962 29 H LEU 6 H LEU 6 20.674 -1.504 0.761 30 HA LEU 6 HA LEU 6 19.217 -1.302 -1.840 31 HB3 LEU 6 2HB LEU 6 18.849 -3.758 -1.596 32 HG LEU 6 HG LEU 6 21.789 -2.926 -1.622 33 HD11 LEU 6 1HD1 LEU 6 21.599 -5.230 -0.951 34 HD12 LEU 6 2HD1 LEU 6 22.192 -5.143 -2.607 35 HD13 LEU 6 3HD1 LEU 6 20.492 -5.597 -2.298 36 HD21 LEU 6 3HD2 LEU 6 20.513 -1.999 -3.506 37 HD22 LEU 6 1HD2 LEU 6 19.843 -3.603 -3.870 38 HD23 LEU 6 2HD2 LEU 6 21.584 -3.277 -4.047 39 H MET 7 H MET 7 16.917 -2.149 -1.651 40 HA MET 7 HA MET 7 15.701 -1.439 0.941 41 HB3 MET 7 2HB MET 7 15.815 0.562 -0.392 42 HG3 MET 7 2HG MET 7 14.544 -1.049 -2.635 43 HE1 MET 7 3HE MET 7 12.866 1.761 -1.145 44 HE2 MET 7 1HE MET 7 12.036 1.844 -2.724 45 HE3 MET 7 2HE MET 7 12.409 0.274 -1.985 46 H LYS 8 H LYS 8 13.199 -1.747 0.614 47 HA LYS 8 HA LYS 8 12.568 -4.494 -0.073 48 HB3 LYS 8 2HB LYS 8 10.229 -3.722 0.161 49 HG3 LYS 8 2HG LYS 8 11.869 -2.472 2.373 50 HD3 LYS 8 2HD LYS 8 8.999 -3.506 2.262 51 HE3 LYS 8 2HE LYS 8 8.631 -2.050 4.251 52 HZ1 LYS 8 3HZ LYS 8 9.269 -3.584 5.751 53 HZ2 LYS 8 1HZ LYS 8 10.740 -3.841 5.099 54 HZ3 LYS 8 2HZ LYS 8 9.396 -4.524 4.400 55 H THR 9 H THR 9 11.042 -5.081 -1.811 56 HA THR 9 HA THR 9 11.679 -3.668 -4.311 57 HB THR 9 HB THR 9 10.690 -5.689 -5.341 58 HG1 THR 9 1HG THR 9 10.182 -7.428 -3.839 59 HG21 THR 9 3HG2 THR 9 12.644 -6.475 -3.157 60 HG22 THR 9 1HG2 THR 9 13.106 -5.527 -4.576 61 HG23 THR 9 2HG2 THR 9 12.447 -7.148 -4.797 62 H GLN 10 H GLN 10 9.783 -3.782 -5.993 63 HA GLN 10 HA GLN 10 7.619 -2.063 -5.251 64 HB3 GLN 10 2HB GLN 10 7.818 -4.006 -7.604 65 HG3 GLN 10 2HG GLN 10 6.728 -2.209 -8.887 66 HE21 GLN 10 1HE2 GLN 10 4.532 -1.185 -6.879 67 HE22 GLN 10 2HE2 GLN 10 3.520 -2.580 -6.617 68 H GLU 11 H GLU 11 8.068 -5.591 -5.694 69 HA GLU 11 HA GLU 11 5.468 -6.466 -5.303 70 HB3 GLU 11 2HB GLU 11 7.912 -7.944 -4.303 71 HG3 GLU 11 2HG GLU 11 5.548 -8.754 -6.008 72 H GLU 12 H GLU 12 8.163 -6.213 -2.871 73 HA GLU 12 HA GLU 12 6.664 -7.063 -0.689 74 HB3 GLU 12 2HB GLU 12 8.364 -5.736 0.660 75 HG3 GLU 12 2HG GLU 12 9.808 -7.468 -1.346 76 H LEU 13 H LEU 13 7.061 -3.667 -1.845 77 HA LEU 13 HA LEU 13 5.588 -2.507 0.344 78 HB3 LEU 13 2HB LEU 13 5.049 -0.731 -1.619 79 HG LEU 13 HG LEU 13 6.618 0.297 -0.460 80 HD11 LEU 13 1HD1 LEU 13 8.826 -0.597 0.199 81 HD12 LEU 13 2HD1 LEU 13 8.412 -2.145 -0.549 82 HD13 LEU 13 3HD1 LEU 13 7.484 -1.511 0.847 83 HD21 LEU 13 3HD2 LEU 13 7.148 0.536 -2.883 84 HD22 LEU 13 1HD2 LEU 13 8.342 -0.773 -2.734 85 HD23 LEU 13 2HD2 LEU 13 8.569 0.764 -1.879 86 H THR 14 H THR 14 4.516 -3.984 -2.698 87 HA THR 14 HA THR 14 1.731 -3.270 -2.349 88 HB THR 14 HB THR 14 2.960 -5.465 -4.073 89 HG1 THR 14 1HG THR 14 4.000 -3.646 -4.656 90 HG21 THR 14 3HG2 THR 14 0.496 -5.522 -3.917 91 HG22 THR 14 1HG2 THR 14 1.041 -5.053 -5.536 92 HG23 THR 14 2HG2 THR 14 0.427 -3.811 -4.414 93 H GLU 15 H GLU 15 3.776 -6.084 -1.551 94 HA GLU 15 HA GLU 15 1.788 -7.933 -0.697 95 HB3 GLU 15 2HB GLU 15 3.817 -8.857 0.608 96 HG3 GLU 15 2HG GLU 15 5.210 -9.284 -1.520 97 H ILE 16 H ILE 16 3.693 -5.498 1.154 98 HA ILE 16 HA ILE 16 2.729 -6.274 3.687 99 HB ILE 16 HB ILE 16 3.581 -3.523 2.667 100 HG13 ILE 16 2HG1 ILE 16 5.302 -5.537 2.673 101 HG21 ILE 16 1HG2 ILE 16 2.320 -3.281 4.789 102 HG22 ILE 16 2HG2 ILE 16 3.347 -4.498 5.560 103 HG23 ILE 16 3HG2 ILE 16 4.016 -2.934 5.067 104 HD11 ILE 16 3HD1 ILE 16 6.055 -2.949 4.104 105 HD12 ILE 16 1HD1 ILE 16 7.141 -4.109 3.330 106 HD13 ILE 16 2HD1 ILE 16 6.012 -3.164 2.340 107 H VAL 17 H VAL 17 1.563 -3.659 1.541 108 HA VAL 17 HA VAL 17 -0.701 -2.886 2.989 109 HB VAL 17 HB VAL 17 -0.049 -2.903 0.006 110 HG11 VAL 17 1HG1 VAL 17 -1.850 -1.030 -0.071 111 HG12 VAL 17 2HG1 VAL 17 -2.384 -2.728 -0.073 112 HG13 VAL 17 3HG1 VAL 17 -2.470 -1.790 1.408 113 HG21 VAL 17 3HG2 VAL 17 1.429 -1.505 1.364 114 HG22 VAL 17 1HG2 VAL 17 0.362 -0.491 0.417 115 HG23 VAL 17 2HG2 VAL 17 0.022 -0.726 2.129 116 H ARG 18 H ARG 18 -0.350 -5.534 0.580 117 HA ARG 18 HA ARG 18 -3.130 -6.176 0.531 118 HB3 ARG 18 2HB ARG 18 -0.808 -8.070 -0.055 119 HG3 ARG 18 2HG ARG 18 -3.636 -7.717 -1.159 120 HD3 ARG 18 2HD ARG 18 -1.407 -9.619 -1.976 121 HE ARG 18 HE ARG 18 -4.178 -9.353 -3.050 122 HH11 ARG 18 1HH1 ARG 18 -1.558 -11.526 -1.877 123 HH12 ARG 18 2HH1 ARG 18 -2.453 -12.963 -2.180 124 HH21 ARG 18 1HH2 ARG 18 -5.381 -11.303 -3.325 125 HH22 ARG 18 2HH2 ARG 18 -4.689 -12.837 -3.014 126 H ASP 19 H ASP 19 -0.405 -7.781 2.263 127 HA ASP 19 HA ASP 19 -1.909 -9.715 3.645 128 HB3 ASP 19 2HB ASP 19 0.604 -8.238 4.524 129 H HIS 20 H HIS 20 -1.537 -6.281 4.271 130 HA HIS 20 HA HIS 20 -2.627 -6.430 6.966 131 HB3 HIS 20 2HB HIS 20 -3.091 -3.866 6.365 132 HD1 HIS 20 1HD HIS 20 -1.539 -5.713 8.635 133 HD2 HIS 20 2HD HIS 20 0.065 -2.904 5.945 134 HE1 HIS 20 1HE HIS 20 0.484 -4.711 9.786 135 H PHE 21 H PHE 21 -4.089 -5.893 3.763 136 HA PHE 21 HA PHE 21 -6.679 -5.358 5.105 137 HB3 PHE 21 2HB PHE 21 -6.704 -5.282 2.182 138 HD1 PHE 21 2HD PHE 21 -8.880 -4.981 4.149 139 HD2 PHE 21 1HD PHE 21 -6.111 -2.052 2.673 140 HE1 PHE 21 2HE PHE 21 -10.561 -3.221 4.548 141 HE2 PHE 21 1HE PHE 21 -7.826 -0.289 3.039 142 HZ PHE 21 HZ PHE 21 -10.046 -0.861 3.908 143 H SER 22 H SER 22 -5.103 -8.034 3.413 144 HA SER 22 HA SER 22 -7.288 -9.490 2.550 145 HB3 SER 22 2HB SER 22 -5.826 -11.461 2.927 146 HG SER 22 HG SER 22 -5.447 -10.565 1.036 147 H ASP 23 H ASP 23 -6.582 -8.727 5.894 148 HA ASP 23 HA ASP 23 -8.038 -11.021 6.943 149 HB3 ASP 23 2HB ASP 23 -7.845 -8.853 8.855 150 H MET 24 H MET 24 -8.952 -7.941 5.672 151 HA MET 24 HA MET 24 -11.470 -7.905 7.236 152 HB3 MET 24 2HB MET 24 -11.546 -5.516 6.579 153 HG3 MET 24 2HG MET 24 -10.269 -6.562 8.652 154 HE1 MET 24 3HE MET 24 -6.665 -4.038 7.412 155 HE2 MET 24 1HE MET 24 -8.249 -3.848 6.627 156 HE3 MET 24 2HE MET 24 -8.082 -3.569 8.374 157 H GLY 25 H GLY 25 -10.717 -9.307 4.414 158 HA2 GLY 25 1HA GLY 25 -12.894 -10.197 3.498 159 HA3 GLY 25 2HA GLY 25 -13.300 -8.541 3.110 160 H GLU 26 H GLU 26 -13.463 -9.144 0.921 161 HA GLU 26 HA GLU 26 -10.981 -10.006 -0.460 162 HB3 GLU 26 2HB GLU 26 -12.626 -10.466 -2.327 163 HG3 GLU 26 2HG GLU 26 -12.639 -12.060 0.265 164 H ILE 27 H ILE 27 -9.863 -8.417 -1.128 165 HA ILE 27 HA ILE 27 -10.812 -5.844 -1.978 166 HB ILE 27 HB ILE 27 -8.199 -7.299 -2.601 167 HG13 ILE 27 2HG1 ILE 27 -9.024 -5.591 -0.228 168 HG21 ILE 27 1HG2 ILE 27 -7.390 -4.964 -2.993 169 HG22 ILE 27 2HG2 ILE 27 -8.646 -5.453 -4.118 170 HG23 ILE 27 3HG2 ILE 27 -9.035 -4.372 -2.755 171 HD11 ILE 27 3HD1 ILE 27 -7.450 -7.030 1.014 172 HD12 ILE 27 1HD1 ILE 27 -8.613 -8.059 0.190 173 HD13 ILE 27 2HD1 ILE 27 -6.975 -7.849 -0.476 174 H ALA 28 H ALA 28 -11.407 -5.295 -4.043 175 HA ALA 28 HA ALA 28 -12.048 -7.405 -6.013 176 HB1 ALA 28 1HB ALA 28 -12.713 -4.423 -5.884 177 HB2 ALA 28 2HB ALA 28 -13.114 -5.502 -7.228 178 HB3 ALA 28 3HB ALA 28 -13.813 -5.810 -5.647 179 H THR 29 H THR 29 -10.229 -4.288 -5.720 180 HA THR 29 HA THR 29 -8.293 -5.248 -7.741 181 HB THR 29 HB THR 29 -9.547 -2.469 -7.751 182 HG1 THR 29 1HG THR 29 -9.894 -4.640 -9.549 183 HG21 THR 29 3HG2 THR 29 -8.304 -2.084 -9.822 184 HG22 THR 29 1HG2 THR 29 -7.554 -3.686 -9.699 185 HG23 THR 29 2HG2 THR 29 -7.185 -2.427 -8.499 186 H LEU 30 H LEU 30 -6.337 -5.175 -6.830 187 HA LEU 30 HA LEU 30 -5.769 -3.095 -4.797 188 HB3 LEU 30 2HB LEU 30 -4.344 -5.762 -5.203 189 HG LEU 30 HG LEU 30 -3.813 -5.501 -2.769 190 HD11 LEU 30 1HD1 LEU 30 -2.480 -3.349 -4.483 191 HD12 LEU 30 2HD1 LEU 30 -2.106 -5.081 -4.510 192 HD13 LEU 30 3HD1 LEU 30 -1.829 -4.163 -3.038 193 HD21 LEU 30 3HD2 LEU 30 -5.451 -3.830 -2.159 194 HD22 LEU 30 1HD2 LEU 30 -4.569 -2.580 -3.057 195 HD23 LEU 30 2HD2 LEU 30 -3.838 -3.391 -1.648 196 H TYR 31 H TYR 31 -4.549 -1.469 -5.740 197 HA TYR 31 HA TYR 31 -2.149 -2.311 -7.021 198 HB3 TYR 31 2HB TYR 31 -3.660 -2.057 -9.018 199 HD1 TYR 31 1HD TYR 31 -5.055 0.218 -7.021 200 HD2 TYR 31 2HD TYR 31 -3.127 0.180 -10.871 201 HE1 TYR 31 1HE TYR 31 -6.398 2.101 -7.674 202 HE2 TYR 31 2HE TYR 31 -4.552 2.096 -11.570 203 HH TYR 31 HH TYR 31 -7.182 3.329 -9.499 204 H VAL 32 H VAL 32 -0.606 -1.057 -6.782 205 HA VAL 32 HA VAL 32 -0.938 1.524 -5.599 206 HB VAL 32 HB VAL 32 0.939 0.690 -4.884 207 HG11 VAL 32 1HG1 VAL 32 2.656 -0.584 -6.124 208 HG12 VAL 32 2HG1 VAL 32 1.150 -1.390 -5.929 209 HG13 VAL 32 3HG1 VAL 32 1.522 -0.635 -7.532 210 HG21 VAL 32 3HG2 VAL 32 2.971 1.578 -5.987 211 HG22 VAL 32 1HG2 VAL 32 1.936 2.110 -7.309 212 HG23 VAL 32 2HG2 VAL 32 1.711 2.702 -5.603 213 H GLN 33 H GLN 33 -0.892 3.371 -6.558 214 HA GLN 33 HA GLN 33 -0.250 3.479 -9.410 215 HB3 GLN 33 2HB GLN 33 -2.184 4.212 -9.939 216 HG3 GLN 33 2HG GLN 33 -2.833 5.158 -7.166 217 HE21 GLN 33 1HE2 GLN 33 -5.423 5.409 -6.974 218 HE22 GLN 33 2HE2 GLN 33 -6.235 5.924 -8.420 219 H VAL 34 H VAL 34 1.051 3.892 -6.510 220 HA VAL 34 HA VAL 34 2.562 6.337 -7.354 221 HB VAL 34 HB VAL 34 1.384 5.804 -4.625 222 HG11 VAL 34 1HG1 VAL 34 3.181 7.345 -4.289 223 HG12 VAL 34 2HG1 VAL 34 2.803 8.221 -5.770 224 HG13 VAL 34 3HG1 VAL 34 1.763 8.360 -4.331 225 HG21 VAL 34 3HG2 VAL 34 -0.549 6.230 -6.028 226 HG22 VAL 34 1HG2 VAL 34 -0.246 7.671 -5.077 227 HG23 VAL 34 2HG2 VAL 34 0.259 7.636 -6.774 228 H TYR 35 H TYR 35 3.738 4.017 -7.856 229 HA TYR 35 HA TYR 35 5.078 2.835 -5.472 230 HB3 TYR 35 2HB TYR 35 5.478 2.529 -8.482 231 HD1 TYR 35 2HD TYR 35 6.622 1.151 -5.130 232 HD2 TYR 35 1HD TYR 35 7.377 1.482 -9.376 233 HE1 TYR 35 2HE TYR 35 8.806 0.085 -4.828 234 HE2 TYR 35 1HE TYR 35 9.540 0.322 -9.066 235 HH TYR 35 HH TYR 35 10.761 -0.575 -5.820 236 H GLU 36 H GLU 36 6.922 3.491 -4.530 237 HA GLU 36 HA GLU 36 8.474 5.562 -6.026 238 HB3 GLU 36 2HB GLU 36 8.730 5.020 -3.067 239 HG3 GLU 36 2HG GLU 36 9.665 7.054 -5.072 240 H SER 37 H SER 37 10.035 4.680 -7.224 241 HA SER 37 HA SER 37 11.123 2.085 -6.684 242 HB3 SER 37 2HB SER 37 10.795 2.795 -8.928 243 HG SER 37 HG SER 37 12.805 4.744 -8.768 244 H SER 38 H SER 38 11.745 4.739 -4.943 245 HA SER 38 HA SER 38 14.577 4.010 -4.395 246 HB3 SER 38 2HB SER 38 15.048 6.397 -4.089 247 HG SER 38 HG SER 38 15.233 6.828 -6.153 248 H LEU 39 H LEU 39 11.425 4.232 -3.009 249 HA LEU 39 HA LEU 39 12.550 4.256 -0.313 250 HB3 LEU 39 2HB LEU 39 10.570 5.803 0.360 251 HG LEU 39 HG LEU 39 12.920 6.997 -1.179 252 HD11 LEU 39 1HD1 LEU 39 12.371 9.091 0.015 253 HD12 LEU 39 2HD1 LEU 39 10.855 8.354 0.591 254 HD13 LEU 39 3HD1 LEU 39 11.119 8.614 -1.145 255 HD21 LEU 39 3HD2 LEU 39 13.756 7.460 1.118 256 HD22 LEU 39 1HD2 LEU 39 13.559 5.733 0.851 257 HD23 LEU 39 2HD2 LEU 39 12.340 6.615 1.793 258 H GLU 40 H GLU 40 10.800 3.545 1.247 259 HA GLU 40 HA GLU 40 9.495 1.289 -0.039 260 HB3 GLU 40 2HB GLU 40 9.288 0.372 2.201 261 HG3 GLU 40 2HG GLU 40 11.508 0.107 0.968 262 H SER 41 H SER 41 8.100 3.010 -0.982 263 HA SER 41 HA SER 41 5.919 3.934 0.859 264 HB3 SER 41 2HB SER 41 7.273 5.083 -1.581 265 HG SER 41 HG SER 41 5.836 6.894 -1.164 266 H LEU 42 H LEU 42 3.814 3.669 0.250 267 HA LEU 42 HA LEU 42 3.233 2.536 -2.316 268 HB3 LEU 42 2HB LEU 42 2.130 0.842 -0.052 269 HG LEU 42 HG LEU 42 2.260 -0.943 -1.894 270 HD11 LEU 42 1HD1 LEU 42 0.600 1.370 -2.860 271 HD12 LEU 42 2HD1 LEU 42 0.150 0.409 -1.473 272 HD13 LEU 42 3HD1 LEU 42 0.339 -0.377 -3.042 273 HD21 LEU 42 3HD2 LEU 42 4.125 0.329 -3.111 274 HD22 LEU 42 1HD2 LEU 42 2.819 1.197 -3.853 275 HD23 LEU 42 2HD2 LEU 42 2.910 -0.594 -3.991 276 H VAL 43 H VAL 43 1.673 3.992 -2.897 277 HA VAL 43 HA VAL 43 -0.834 4.212 -1.309 278 HB VAL 43 HB VAL 43 0.643 6.441 -2.800 279 HG11 VAL 43 1HG1 VAL 43 -0.921 7.997 -1.800 280 HG12 VAL 43 2HG1 VAL 43 -1.789 6.866 -2.814 281 HG13 VAL 43 3HG1 VAL 43 -1.808 6.672 -1.039 282 HG21 VAL 43 3HG2 VAL 43 0.395 5.892 0.145 283 HG22 VAL 43 1HG2 VAL 43 1.879 6.021 -0.776 284 HG23 VAL 43 2HG2 VAL 43 0.911 7.455 -0.527 285 H GLY 44 H GLY 44 -2.709 4.736 -2.630 286 HA2 GLY 44 1HA GLY 44 -3.369 5.138 -5.061 287 HA3 GLY 44 2HA GLY 44 -2.721 3.523 -5.391 288 H GLY 45 H GLY 45 -4.565 4.453 -2.324 289 HA2 GLY 45 1HA GLY 45 -6.499 3.807 -1.595 290 HA3 GLY 45 2HA GLY 45 -7.062 3.684 -3.269 291 H VAL 46 H VAL 46 -8.367 1.878 -2.153 292 HA VAL 46 HA VAL 46 -7.380 -0.558 -3.181 293 HB VAL 46 HB VAL 46 -6.204 -0.881 -1.159 294 HG11 VAL 46 1HG1 VAL 46 -8.622 -0.183 0.535 295 HG12 VAL 46 2HG1 VAL 46 -6.957 -0.586 1.040 296 HG13 VAL 46 3HG1 VAL 46 -7.274 0.923 0.228 297 HG21 VAL 46 3HG2 VAL 46 -8.777 -2.400 -0.754 298 HG22 VAL 46 1HG2 VAL 46 -7.468 -2.827 -1.888 299 HG23 VAL 46 2HG2 VAL 46 -7.161 -2.813 -0.145 300 H ILE 47 H ILE 47 -9.097 -1.676 -3.952 301 HA ILE 47 HA ILE 47 -11.752 -0.410 -3.513 302 HB ILE 47 HB ILE 47 -10.554 -1.792 -5.957 303 HG13 ILE 47 2HG1 ILE 47 -10.694 1.154 -5.258 304 HG21 ILE 47 1HG2 ILE 47 -13.090 -0.140 -5.776 305 HG22 ILE 47 2HG2 ILE 47 -12.460 -1.014 -7.179 306 HG23 ILE 47 3HG2 ILE 47 -13.042 -1.926 -5.793 307 HD11 ILE 47 3HD1 ILE 47 -8.410 0.215 -5.241 308 HD12 ILE 47 1HD1 ILE 47 -8.683 -0.553 -6.819 309 HD13 ILE 47 2HD1 ILE 47 -8.611 1.202 -6.690 310 H PHE 48 H PHE 48 -13.151 -1.790 -2.521 311 HA PHE 48 HA PHE 48 -12.541 -4.699 -2.302 312 HB3 PHE 48 2HB PHE 48 -14.780 -4.253 -0.801 313 HD1 PHE 48 1HD PHE 48 -11.316 -2.806 -0.359 314 HD2 PHE 48 2HD PHE 48 -14.203 -5.790 0.836 315 HE1 PHE 48 1HE PHE 48 -9.728 -3.674 1.319 316 HE2 PHE 48 2HE PHE 48 -12.592 -6.654 2.481 317 HZ PHE 48 HZ PHE 48 -10.369 -5.664 2.717 318 H GLU 49 H GLU 49 -14.149 -6.258 -2.592 319 HA GLU 49 HA GLU 49 -15.794 -6.309 -4.854 320 HB3 GLU 49 2HB GLU 49 -16.858 -8.204 -3.540 321 HG3 GLU 49 2HG GLU 49 -14.414 -9.315 -3.277 322 H ASP 50 H ASP 50 -16.442 -5.453 -1.532 323 HA ASP 50 HA ASP 50 -19.320 -5.302 -1.720 324 HB3 ASP 50 2HB ASP 50 -18.351 -3.962 0.631 325 H GLY 51 H GLY 51 -17.028 -3.188 -2.901 326 HA2 GLY 51 1HA GLY 51 -17.121 -1.010 -3.598 327 HA3 GLY 51 2HA GLY 51 -18.772 -0.880 -2.998 328 H ARG 52 H ARG 52 -15.372 -0.964 -1.870 329 HA ARG 52 HA ARG 52 -16.041 0.890 0.293 330 HB3 ARG 52 2HB ARG 52 -15.023 -0.317 2.048 331 HG3 ARG 52 2HG ARG 52 -16.764 -2.311 0.598 332 HD3 ARG 52 2HD ARG 52 -15.367 -3.220 2.523 333 HE ARG 52 HE ARG 52 -16.557 -0.928 3.875 334 HH11 ARG 52 1HH1 ARG 52 -15.335 -4.248 4.564 335 HH12 ARG 52 2HH1 ARG 52 -15.165 -3.867 6.256 336 HH21 ARG 52 1HH2 ARG 52 -16.275 -0.564 6.020 337 HH22 ARG 52 2HH2 ARG 52 -15.677 -1.814 7.088 338 H HIS 53 H HIS 53 -14.829 2.436 -0.896 339 HA HIS 53 HA HIS 53 -12.085 1.670 -1.716 340 HB3 HIS 53 2HB HIS 53 -13.697 4.096 -2.531 341 HD1 HIS 53 1HD HIS 53 -12.678 5.201 -4.790 342 HD2 HIS 53 2HD HIS 53 -10.131 2.585 -2.682 343 HE1 HIS 53 1HE HIS 53 -10.312 5.563 -5.704 344 H TYR 54 H TYR 54 -10.517 2.200 -0.327 345 HA TYR 54 HA TYR 54 -10.755 4.698 1.286 346 HB3 TYR 54 2HB TYR 54 -9.261 3.454 2.946 347 HD1 TYR 54 1HD TYR 54 -12.110 1.242 2.026 348 HD2 TYR 54 2HD TYR 54 -10.801 4.539 4.452 349 HE1 TYR 54 1HE TYR 54 -14.258 1.220 3.178 350 HE2 TYR 54 2HE TYR 54 -12.996 4.583 5.572 351 HH TYR 54 HH TYR 54 -15.359 3.903 5.062 352 H THR 55 H THR 55 -9.025 6.039 1.173 353 HA THR 55 HA THR 55 -6.839 5.581 -0.722 354 HB THR 55 HB THR 55 -6.241 7.898 0.089 355 HG1 THR 55 1HG THR 55 -7.293 7.956 2.027 356 HG21 THR 55 3HG2 THR 55 -9.069 7.518 -0.995 357 HG22 THR 55 1HG2 THR 55 -7.576 7.504 -1.966 358 HG23 THR 55 2HG2 THR 55 -8.081 8.988 -1.135 359 H PHE 56 H PHE 56 -5.832 3.773 0.223 360 HA PHE 56 HA PHE 56 -4.724 3.825 2.925 361 HB3 PHE 56 2HB PHE 56 -3.322 2.100 1.055 362 HD1 PHE 56 2HD PHE 56 -6.292 2.059 3.412 363 HD2 PHE 56 1HD PHE 56 -2.590 0.224 2.229 364 HE1 PHE 56 2HE PHE 56 -6.506 0.406 5.258 365 HE2 PHE 56 1HE PHE 56 -2.867 -1.499 3.996 366 HZ PHE 56 HZ PHE 56 -4.828 -1.398 5.524 367 H VAL 57 H VAL 57 -2.759 4.538 3.607 368 HA VAL 57 HA VAL 57 -0.788 5.114 1.587 369 HB VAL 57 HB VAL 57 -1.730 7.253 1.559 370 HG11 VAL 57 1HG1 VAL 57 -2.218 8.668 3.445 371 HG12 VAL 57 2HG1 VAL 57 -3.085 7.144 3.671 372 HG13 VAL 57 3HG1 VAL 57 -1.565 7.452 4.559 373 HG21 VAL 57 3HG2 VAL 57 0.552 7.581 3.556 374 HG22 VAL 57 1HG2 VAL 57 0.817 7.192 1.863 375 HG23 VAL 57 2HG2 VAL 57 0.030 8.715 2.299 376 H TYR 58 H TYR 58 0.791 4.058 2.138 377 HA TYR 58 HA TYR 58 1.619 3.588 4.967 378 HB3 TYR 58 2HB TYR 58 2.583 2.462 2.303 379 HD1 TYR 58 2HD TYR 58 2.600 1.489 5.960 380 HD2 TYR 58 1HD TYR 58 4.871 1.868 2.298 381 HE1 TYR 58 2HE TYR 58 4.493 0.313 7.004 382 HE2 TYR 58 1HE TYR 58 6.751 0.662 3.345 383 HH TYR 58 HH TYR 58 7.624 0.061 5.645 384 H GLU 59 H GLU 59 3.198 4.856 5.791 385 HA GLU 59 HA GLU 59 5.380 5.776 4.043 386 HB3 GLU 59 2HB GLU 59 4.210 7.768 4.004 387 HG3 GLU 59 2HG GLU 59 3.261 7.014 6.694 388 H ASN 60 H ASN 60 6.844 4.550 4.826 389 HA ASN 60 HA ASN 60 8.264 3.409 5.964 390 HB3 ASN 60 2HB ASN 60 8.212 5.268 8.334 391 HD21 ASN 60 1HD2 ASN 60 9.308 2.844 8.827 392 HD22 ASN 60 2HD2 ASN 60 11.035 2.862 8.486 393 H GLU 61 H GLU 61 5.798 4.397 8.299 394 HA GLU 61 HA GLU 61 5.454 1.657 9.316 395 HB3 GLU 61 2HB GLU 61 5.773 2.208 11.635 396 HG3 GLU 61 2HG GLU 61 8.267 3.275 10.293 397 H ASP 62 H ASP 62 4.449 5.002 8.909 398 HA ASP 62 HA ASP 62 1.927 4.804 10.378 399 HB3 ASP 62 2HB ASP 62 1.630 6.892 8.653 400 H LEU 63 H LEU 63 1.006 2.919 9.488 401 HA LEU 63 HA LEU 63 0.103 3.177 6.670 402 HB3 LEU 63 2HB LEU 63 -0.368 1.037 8.766 403 HG LEU 63 HG LEU 63 -2.453 1.519 7.679 404 HD11 LEU 63 1HD1 LEU 63 -1.593 2.505 5.483 405 HD12 LEU 63 2HD1 LEU 63 -2.870 1.338 5.288 406 HD13 LEU 63 3HD1 LEU 63 -1.191 0.858 4.979 407 HD21 LEU 63 3HD2 LEU 63 -1.847 -0.826 8.216 408 HD22 LEU 63 1HD2 LEU 63 -1.485 -1.057 6.488 409 HD23 LEU 63 2HD2 LEU 63 -3.130 -0.594 7.031 410 H VAL 64 H VAL 64 -1.417 4.662 6.376 411 HA VAL 64 HA VAL 64 -3.440 5.212 8.490 412 HB VAL 64 HB VAL 64 -2.574 7.139 6.346 413 HG11 VAL 64 1HG1 VAL 64 -4.650 7.777 7.349 414 HG12 VAL 64 2HG1 VAL 64 -4.021 7.508 8.985 415 HG13 VAL 64 3HG1 VAL 64 -3.415 8.842 7.961 416 HG21 VAL 64 3HG2 VAL 64 -1.325 6.865 9.110 417 HG22 VAL 64 1HG2 VAL 64 -0.512 6.738 7.539 418 HG23 VAL 64 2HG2 VAL 64 -1.138 8.290 8.040 419 H TYR 65 H TYR 65 -5.573 5.937 7.474 420 HA TYR 65 HA TYR 65 -5.861 5.473 4.653 421 HB3 TYR 65 2HB TYR 65 -6.738 3.360 5.245 422 HD1 TYR 65 1HD TYR 65 -8.991 5.681 7.314 423 HD2 TYR 65 2HD TYR 65 -7.059 1.844 6.927 424 HE1 TYR 65 1HE TYR 65 -9.489 5.161 9.675 425 HE2 TYR 65 2HE TYR 65 -7.388 1.391 9.284 426 HH TYR 65 HH TYR 65 -8.793 3.840 11.490 427 H GLU 66 H GLU 66 -7.813 6.516 3.889 428 HA GLU 66 HA GLU 66 -9.657 7.388 5.805 429 HB3 GLU 66 2HB GLU 66 -9.834 9.586 4.095 430 HG3 GLU 66 2HG GLU 66 -8.271 9.983 6.624 431 H GLU 67 H GLU 67 -11.664 8.185 4.328 432 HA GLU 67 HA GLU 67 -12.113 5.905 2.503 433 HB3 GLU 67 2HB GLU 67 -14.029 8.048 3.519 434 HG3 GLU 67 2HG GLU 67 -14.359 5.146 2.614 435 H GLU 68 H GLU 68 -12.738 6.211 0.306 436 HA GLU 68 HA GLU 68 -11.944 8.796 -0.848 437 HB3 GLU 68 2HB GLU 68 -12.877 6.498 -2.543 438 HG3 GLU 68 2HG GLU 68 -10.672 7.145 -3.691 439 H VAL 69 H VAL 69 -13.641 9.939 0.177 440 HA VAL 69 HA VAL 69 -16.439 9.564 -0.625 441 HB VAL 69 HB VAL 69 -15.082 11.967 0.669 442 HG11 VAL 69 1HG1 VAL 69 -18.011 11.183 0.688 443 HG12 VAL 69 2HG1 VAL 69 -17.284 12.611 1.444 444 HG13 VAL 69 3HG1 VAL 69 -17.295 12.473 -0.317 445 HG21 VAL 69 3HG2 VAL 69 -16.554 9.715 2.085 446 HG22 VAL 69 1HG2 VAL 69 -14.792 9.977 2.129 447 HG23 VAL 69 2HG2 VAL 69 -15.884 11.175 2.821 448 H LEU 70 H LEU 70 -16.916 9.961 -2.753 449 HA LEU 70 HA LEU 70 -15.502 11.900 -4.420 450 HB3 LEU 70 2HB LEU 70 -17.827 11.777 -5.681 451 HG LEU 70 HG LEU 70 -17.392 9.681 -6.818 452 HD11 LEU 70 1HD1 LEU 70 -14.810 11.228 -6.374 453 HD12 LEU 70 2HD1 LEU 70 -16.120 11.691 -7.483 454 HD13 LEU 70 3HD1 LEU 70 -15.207 10.200 -7.758 455 HD21 LEU 70 3HD2 LEU 70 -15.148 9.227 -4.815 456 HD22 LEU 70 1HD2 LEU 70 -15.514 8.238 -6.242 457 HD23 LEU 70 2HD2 LEU 70 -16.675 8.314 -4.903 Start of MODEL 20 1 H1 GLY 1 H GLY 1 31.990 -1.952 -4.844 2 HA2 GLY 1 1HA GLY 1 31.327 -3.357 -2.321 3 HA3 GLY 1 2HA GLY 1 32.494 -2.023 -2.447 4 H ASP 2 H ASP 2 30.220 -1.917 -0.711 5 HA ASP 2 HA ASP 2 28.325 -0.799 -0.169 6 HB3 ASP 2 2HB ASP 2 28.791 1.011 -2.556 7 H ASP 3 H ASP 3 27.719 -2.939 -0.580 8 HA ASP 3 HA ASP 3 26.304 -3.554 -3.109 9 HB3 ASP 3 2HB ASP 3 28.554 -4.328 -3.311 10 H ARG 4 H ARG 4 25.159 -2.868 -0.533 11 HA ARG 4 HA ARG 4 23.858 -5.397 0.337 12 HB3 ARG 4 2HB ARG 4 25.818 -5.453 1.666 13 HG3 ARG 4 2HG ARG 4 25.340 -2.543 2.461 14 HD3 ARG 4 2HD ARG 4 27.019 -4.729 3.577 15 HE ARG 4 HE ARG 4 28.932 -3.832 2.838 16 HH11 ARG 4 1HH1 ARG 4 26.839 -1.028 3.810 17 HH12 ARG 4 2HH1 ARG 4 27.922 0.116 3.112 18 HH21 ARG 4 1HH2 ARG 4 30.350 -2.158 2.021 19 HH22 ARG 4 2HH2 ARG 4 29.967 -0.484 2.354 20 H LYS 5 H LYS 5 23.390 -2.290 -0.686 21 HA LYS 5 HA LYS 5 21.526 -1.570 1.380 22 HB3 LYS 5 2HB LYS 5 23.289 0.072 -0.284 23 HG3 LYS 5 2HG LYS 5 21.353 0.746 1.968 24 HD3 LYS 5 2HD LYS 5 22.937 2.737 0.337 25 HE3 LYS 5 2HE LYS 5 20.579 3.283 1.150 26 HZ1 LYS 5 3HZ LYS 5 20.930 2.240 3.410 27 HZ2 LYS 5 1HZ LYS 5 20.303 3.766 3.427 28 HZ3 LYS 5 2HZ LYS 5 21.891 3.563 3.757 29 H LEU 6 H LEU 6 19.659 -2.513 0.403 30 HA LEU 6 HA LEU 6 18.926 -1.341 -2.241 31 HB3 LEU 6 2HB LEU 6 17.967 -3.374 -2.929 32 HG LEU 6 HG LEU 6 20.455 -4.394 -1.502 33 HD11 LEU 6 1HD1 LEU 6 20.470 -6.078 -3.193 34 HD12 LEU 6 2HD1 LEU 6 19.168 -5.271 -4.115 35 HD13 LEU 6 3HD1 LEU 6 18.843 -6.018 -2.543 36 HD21 LEU 6 3HD2 LEU 6 20.271 -2.539 -3.832 37 HD22 LEU 6 1HD2 LEU 6 21.362 -3.906 -4.038 38 HD23 LEU 6 2HD2 LEU 6 21.596 -2.805 -2.679 39 H MET 7 H MET 7 16.696 -0.997 -2.506 40 HA MET 7 HA MET 7 15.232 -0.301 -0.024 41 HB3 MET 7 2HB MET 7 13.852 0.947 -1.723 42 HG3 MET 7 2HG MET 7 15.293 2.563 -2.460 43 HE1 MET 7 3HE MET 7 14.560 2.789 0.166 44 HE2 MET 7 1HE MET 7 15.083 1.321 0.979 45 HE3 MET 7 2HE MET 7 15.736 2.887 1.484 46 H LYS 8 H LYS 8 12.993 -0.672 0.003 47 HA LYS 8 HA LYS 8 12.342 -3.384 -0.339 48 HB3 LYS 8 2HB LYS 8 9.869 -2.521 -0.051 49 HG3 LYS 8 2HG LYS 8 11.863 -2.042 2.188 50 HD3 LYS 8 2HD LYS 8 9.059 -3.227 2.304 51 HE3 LYS 8 2HE LYS 8 9.426 -2.222 4.725 52 HZ1 LYS 8 3HZ LYS 8 10.564 -4.243 5.485 53 HZ2 LYS 8 1HZ LYS 8 10.832 -4.720 3.951 54 HZ3 LYS 8 2HZ LYS 8 9.305 -4.576 4.563 55 H THR 9 H THR 9 11.102 -4.443 -2.066 56 HA THR 9 HA THR 9 11.324 -2.997 -4.602 57 HB THR 9 HB THR 9 10.613 -4.996 -5.676 58 HG1 THR 9 1HG THR 9 10.044 -6.845 -4.407 59 HG21 THR 9 3HG2 THR 9 12.963 -4.820 -4.644 60 HG22 THR 9 1HG2 THR 9 12.395 -6.412 -5.139 61 HG23 THR 9 2HG2 THR 9 12.390 -5.953 -3.408 62 H GLN 10 H GLN 10 9.292 -3.054 -6.121 63 HA GLN 10 HA GLN 10 7.123 -1.680 -4.815 64 HB3 GLN 10 2HB GLN 10 7.176 -3.017 -7.544 65 HG3 GLN 10 2HG GLN 10 5.751 -0.951 -8.097 66 HE21 GLN 10 1HE2 GLN 10 3.266 -0.907 -6.696 67 HE22 GLN 10 2HE2 GLN 10 2.719 -2.547 -6.393 68 H GLU 11 H GLU 11 7.871 -5.040 -5.718 69 HA GLU 11 HA GLU 11 5.391 -6.239 -5.233 70 HB3 GLU 11 2HB GLU 11 7.846 -7.706 -4.389 71 HG3 GLU 11 2HG GLU 11 5.753 -8.256 -6.525 72 H GLU 12 H GLU 12 8.209 -5.660 -2.977 73 HA GLU 12 HA GLU 12 7.016 -6.917 -0.757 74 HB3 GLU 12 2HB GLU 12 8.568 -5.447 0.577 75 HG3 GLU 12 2HG GLU 12 10.098 -6.689 -1.714 76 H LEU 13 H LEU 13 7.026 -3.416 -1.633 77 HA LEU 13 HA LEU 13 5.405 -2.598 0.574 78 HB3 LEU 13 2HB LEU 13 4.908 -0.489 -1.007 79 HG LEU 13 HG LEU 13 7.830 -1.399 -0.997 80 HD11 LEU 13 1HD1 LEU 13 8.319 0.942 -1.001 81 HD12 LEU 13 2HD1 LEU 13 6.614 1.354 -0.666 82 HD13 LEU 13 3HD1 LEU 13 7.081 0.672 -2.219 83 HD21 LEU 13 3HD2 LEU 13 7.190 -1.684 1.327 84 HD22 LEU 13 1HD2 LEU 13 6.329 -0.124 1.339 85 HD23 LEU 13 2HD2 LEU 13 8.096 -0.190 1.168 86 H THR 14 H THR 14 4.402 -3.704 -2.675 87 HA THR 14 HA THR 14 1.622 -3.441 -2.200 88 HB THR 14 HB THR 14 3.170 -5.431 -3.963 89 HG1 THR 14 1HG THR 14 3.806 -3.504 -4.559 90 HG21 THR 14 3HG2 THR 14 0.689 -5.914 -3.850 91 HG22 THR 14 1HG2 THR 14 1.323 -5.535 -5.455 92 HG23 THR 14 2HG2 THR 14 0.432 -4.294 -4.555 93 H GLU 15 H GLU 15 3.797 -6.240 -1.634 94 HA GLU 15 HA GLU 15 1.803 -8.121 -0.892 95 HB3 GLU 15 2HB GLU 15 4.018 -9.069 0.314 96 HG3 GLU 15 2HG GLU 15 4.884 -9.808 -1.928 97 H ILE 16 H ILE 16 3.770 -5.834 1.032 98 HA ILE 16 HA ILE 16 2.927 -6.734 3.569 99 HB ILE 16 HB ILE 16 3.800 -3.970 2.602 100 HG13 ILE 16 2HG1 ILE 16 5.455 -6.051 2.538 101 HG21 ILE 16 1HG2 ILE 16 4.315 -3.428 4.975 102 HG22 ILE 16 2HG2 ILE 16 2.601 -3.724 4.742 103 HG23 ILE 16 3HG2 ILE 16 3.615 -4.983 5.465 104 HD11 ILE 16 3HD1 ILE 16 7.333 -4.649 2.982 105 HD12 ILE 16 1HD1 ILE 16 6.108 -3.592 2.289 106 HD13 ILE 16 2HD1 ILE 16 6.400 -3.577 4.038 107 H VAL 17 H VAL 17 1.761 -3.954 1.636 108 HA VAL 17 HA VAL 17 -0.350 -3.304 3.388 109 HB VAL 17 HB VAL 17 0.077 -2.624 0.442 110 HG11 VAL 17 1HG1 VAL 17 -2.207 -2.056 1.125 111 HG12 VAL 17 2HG1 VAL 17 -1.589 -1.231 2.579 112 HG13 VAL 17 3HG1 VAL 17 -1.255 -0.572 0.971 113 HG21 VAL 17 3HG2 VAL 17 0.902 -1.172 3.005 114 HG22 VAL 17 1HG2 VAL 17 2.000 -1.940 1.843 115 HG23 VAL 17 2HG2 VAL 17 1.067 -0.524 1.370 116 H ARG 18 H ARG 18 -0.251 -5.576 0.682 117 HA ARG 18 HA ARG 18 -3.059 -6.099 0.488 118 HB3 ARG 18 2HB ARG 18 -0.742 -8.048 0.109 119 HG3 ARG 18 2HG ARG 18 -3.496 -7.829 -1.194 120 HD3 ARG 18 2HD ARG 18 -2.994 -9.947 -2.216 121 HE ARG 18 HE ARG 18 -0.473 -8.734 -2.922 122 HH11 ARG 18 1HH1 ARG 18 -4.027 -8.673 -3.527 123 HH12 ARG 18 2HH1 ARG 18 -3.813 -7.949 -5.086 124 HH21 ARG 18 1HH2 ARG 18 -0.286 -7.855 -4.923 125 HH22 ARG 18 2HH2 ARG 18 -1.649 -7.355 -5.877 126 H ASP 19 H ASP 19 -0.499 -7.873 2.290 127 HA ASP 19 HA ASP 19 -2.217 -9.668 3.585 128 HB3 ASP 19 2HB ASP 19 0.425 -8.630 4.640 129 H HIS 20 H HIS 20 -1.405 -6.369 4.374 130 HA HIS 20 HA HIS 20 -2.234 -6.446 7.160 131 HB3 HIS 20 2HB HIS 20 -2.824 -3.857 6.317 132 HD1 HIS 20 1HD HIS 20 -1.740 -2.586 8.324 133 HD2 HIS 20 2HD HIS 20 0.531 -5.814 6.830 134 HE1 HIS 20 1HE HIS 20 0.313 -2.759 9.787 135 H PHE 21 H PHE 21 -4.028 -5.960 4.136 136 HA PHE 21 HA PHE 21 -6.446 -5.391 5.723 137 HB3 PHE 21 2HB PHE 21 -7.042 -5.283 2.949 138 HD1 PHE 21 1HD PHE 21 -8.312 -4.402 5.635 139 HD2 PHE 21 2HD PHE 21 -6.012 -2.429 2.617 140 HE1 PHE 21 1HE PHE 21 -9.212 -2.187 6.378 141 HE2 PHE 21 2HE PHE 21 -6.849 -0.236 3.373 142 HZ PHE 21 HZ PHE 21 -8.389 -0.128 5.351 143 H SER 22 H SER 22 -5.271 -8.322 3.927 144 HA SER 22 HA SER 22 -7.737 -9.319 3.282 145 HB3 SER 22 2HB SER 22 -6.542 -11.092 2.763 146 HG SER 22 HG SER 22 -4.141 -10.771 3.141 147 H ASP 23 H ASP 23 -6.400 -8.775 6.416 148 HA ASP 23 HA ASP 23 -7.881 -10.632 8.000 149 HB3 ASP 23 2HB ASP 23 -6.883 -7.908 8.871 150 H MET 24 H MET 24 -9.111 -8.248 6.084 151 HA MET 24 HA MET 24 -11.483 -7.714 7.801 152 HB3 MET 24 2HB MET 24 -11.370 -5.360 7.010 153 HG3 MET 24 2HG MET 24 -8.699 -6.158 8.192 154 HE1 MET 24 3HE MET 24 -7.273 -4.419 9.473 155 HE2 MET 24 1HE MET 24 -7.137 -4.341 7.703 156 HE3 MET 24 2HE MET 24 -7.221 -2.836 8.658 157 H GLY 25 H GLY 25 -10.666 -9.274 5.034 158 HA2 GLY 25 1HA GLY 25 -12.886 -9.929 3.930 159 HA3 GLY 25 2HA GLY 25 -12.985 -8.228 3.453 160 H GLU 26 H GLU 26 -13.005 -8.980 1.237 161 HA GLU 26 HA GLU 26 -10.408 -10.046 0.284 162 HB3 GLU 26 2HB GLU 26 -12.413 -11.521 0.207 163 HG3 GLU 26 2HG GLU 26 -13.145 -9.951 -2.254 164 H ILE 27 H ILE 27 -9.216 -8.874 -0.924 165 HA ILE 27 HA ILE 27 -10.049 -6.311 -1.904 166 HB ILE 27 HB ILE 27 -7.534 -7.884 -1.456 167 HG13 ILE 27 2HG1 ILE 27 -8.858 -5.482 -0.213 168 HG21 ILE 27 1HG2 ILE 27 -6.198 -5.898 -2.189 169 HG22 ILE 27 2HG2 ILE 27 -6.816 -7.015 -3.409 170 HG23 ILE 27 3HG2 ILE 27 -7.603 -5.452 -3.194 171 HD11 ILE 27 3HD1 ILE 27 -6.871 -7.239 1.202 172 HD12 ILE 27 1HD1 ILE 27 -8.386 -6.528 1.804 173 HD13 ILE 27 2HD1 ILE 27 -8.441 -7.972 0.825 174 H ALA 28 H ALA 28 -10.693 -5.881 -3.867 175 HA ALA 28 HA ALA 28 -10.875 -7.980 -5.901 176 HB1 ALA 28 1HB ALA 28 -12.129 -6.351 -7.210 177 HB2 ALA 28 2HB ALA 28 -12.771 -6.439 -5.576 178 HB3 ALA 28 3HB ALA 28 -11.775 -5.049 -6.066 179 H THR 29 H THR 29 -9.607 -4.614 -5.859 180 HA THR 29 HA THR 29 -7.524 -5.387 -7.859 181 HB THR 29 HB THR 29 -9.311 -2.920 -7.838 182 HG1 THR 29 1HG THR 29 -9.699 -4.064 -10.021 183 HG21 THR 29 3HG2 THR 29 -8.252 -2.300 -9.935 184 HG22 THR 29 1HG2 THR 29 -7.174 -3.698 -9.845 185 HG23 THR 29 2HG2 THR 29 -7.025 -2.364 -8.668 186 H LEU 30 H LEU 30 -5.879 -5.503 -6.411 187 HA LEU 30 HA LEU 30 -5.213 -3.141 -4.770 188 HB3 LEU 30 2HB LEU 30 -3.705 -5.737 -5.041 189 HG LEU 30 HG LEU 30 -3.442 -5.459 -2.519 190 HD11 LEU 30 1HD1 LEU 30 -1.623 -5.189 -4.095 191 HD12 LEU 30 2HD1 LEU 30 -1.432 -4.150 -2.683 192 HD13 LEU 30 3HD1 LEU 30 -1.962 -3.446 -4.231 193 HD21 LEU 30 3HD2 LEU 30 -5.042 -3.710 -2.076 194 HD22 LEU 30 1HD2 LEU 30 -4.085 -2.539 -3.008 195 HD23 LEU 30 2HD2 LEU 30 -3.442 -3.270 -1.513 196 H TYR 31 H TYR 31 -3.874 -1.652 -5.637 197 HA TYR 31 HA TYR 31 -1.690 -2.427 -7.300 198 HB3 TYR 31 2HB TYR 31 -3.527 -1.992 -9.006 199 HD1 TYR 31 1HD TYR 31 -4.828 -0.073 -6.754 200 HD2 TYR 31 2HD TYR 31 -2.874 0.595 -10.557 201 HE1 TYR 31 1HE TYR 31 -6.158 1.953 -7.075 202 HE2 TYR 31 2HE TYR 31 -4.289 2.624 -10.885 203 HH TYR 31 HH TYR 31 -6.140 4.067 -8.533 204 H VAL 32 H VAL 32 -0.451 -0.208 -7.709 205 HA VAL 32 HA VAL 32 -0.829 1.529 -5.346 206 HB VAL 32 HB VAL 32 1.832 0.730 -6.568 207 HG11 VAL 32 1HG1 VAL 32 2.832 1.703 -4.558 208 HG12 VAL 32 2HG1 VAL 32 1.908 2.853 -5.516 209 HG13 VAL 32 3HG1 VAL 32 1.200 2.216 -4.024 210 HG21 VAL 32 3HG2 VAL 32 0.535 -0.329 -3.999 211 HG22 VAL 32 1HG2 VAL 32 0.939 -1.300 -5.423 212 HG23 VAL 32 2HG2 VAL 32 2.227 -0.611 -4.440 213 H GLN 33 H GLN 33 -0.849 3.679 -5.933 214 HA GLN 33 HA GLN 33 -0.772 4.172 -8.870 215 HB3 GLN 33 2HB GLN 33 -1.690 6.409 -8.155 216 HG3 GLN 33 2HG GLN 33 -3.367 4.000 -7.295 217 HE21 GLN 33 1HE2 GLN 33 -3.237 7.438 -8.280 218 HE22 GLN 33 2HE2 GLN 33 -4.954 7.719 -8.181 219 H VAL 34 H VAL 34 1.382 4.268 -6.262 220 HA VAL 34 HA VAL 34 3.298 5.978 -7.561 221 HB VAL 34 HB VAL 34 3.304 7.416 -5.274 222 HG11 VAL 34 1HG1 VAL 34 3.333 8.448 -7.517 223 HG12 VAL 34 2HG1 VAL 34 1.569 8.267 -7.632 224 HG13 VAL 34 3HG1 VAL 34 2.287 9.304 -6.384 225 HG21 VAL 34 3HG2 VAL 34 1.153 8.104 -4.532 226 HG22 VAL 34 1HG2 VAL 34 0.309 7.239 -5.832 227 HG23 VAL 34 2HG2 VAL 34 1.131 6.326 -4.567 228 H TYR 35 H TYR 35 4.740 4.341 -7.345 229 HA TYR 35 HA TYR 35 5.261 3.014 -4.747 230 HB3 TYR 35 2HB TYR 35 6.182 2.689 -7.618 231 HD1 TYR 35 1HD TYR 35 6.800 1.221 -4.221 232 HD2 TYR 35 2HD TYR 35 8.230 1.734 -8.238 233 HE1 TYR 35 1HE TYR 35 8.947 0.116 -3.587 234 HE2 TYR 35 2HE TYR 35 10.333 0.568 -7.654 235 HH TYR 35 HH TYR 35 11.064 -0.502 -4.302 236 H GLU 36 H GLU 36 6.780 4.084 -3.345 237 HA GLU 36 HA GLU 36 8.457 6.141 -4.654 238 HB3 GLU 36 2HB GLU 36 8.612 5.273 -1.771 239 HG3 GLU 36 2HG GLU 36 10.380 6.885 -2.682 240 H SER 37 H SER 37 9.832 5.051 -5.997 241 HA SER 37 HA SER 37 11.090 2.570 -5.522 242 HB3 SER 37 2HB SER 37 10.630 3.415 -7.734 243 HG SER 37 HG SER 37 11.353 5.731 -6.933 244 H SER 38 H SER 38 11.773 5.309 -3.841 245 HA SER 38 HA SER 38 14.611 4.540 -3.516 246 HB3 SER 38 2HB SER 38 15.248 6.772 -3.180 247 HG SER 38 HG SER 38 13.449 7.718 -4.904 248 H LEU 39 H LEU 39 11.574 4.386 -1.969 249 HA LEU 39 HA LEU 39 12.760 4.343 0.728 250 HB3 LEU 39 2HB LEU 39 10.708 5.880 1.393 251 HG LEU 39 HG LEU 39 13.116 7.131 0.012 252 HD11 LEU 39 1HD1 LEU 39 11.282 8.703 0.080 253 HD12 LEU 39 2HD1 LEU 39 12.461 9.130 1.345 254 HD13 LEU 39 3HD1 LEU 39 10.954 8.310 1.782 255 HD21 LEU 39 3HD2 LEU 39 13.842 7.481 2.402 256 HD22 LEU 39 1HD2 LEU 39 13.811 5.778 1.933 257 HD23 LEU 39 2HD2 LEU 39 12.494 6.444 2.913 258 H GLU 40 H GLU 40 10.322 4.177 2.077 259 HA GLU 40 HA GLU 40 9.073 1.768 0.940 260 HB3 GLU 40 2HB GLU 40 8.927 0.720 3.038 261 HG3 GLU 40 2HG GLU 40 11.227 0.637 2.126 262 H SER 41 H SER 41 7.676 3.323 -0.063 263 HA SER 41 HA SER 41 5.569 4.374 1.709 264 HB3 SER 41 2HB SER 41 7.202 5.958 -0.281 265 HG SER 41 HG SER 41 5.635 7.420 -0.439 266 H LEU 42 H LEU 42 3.639 4.042 0.893 267 HA LEU 42 HA LEU 42 3.334 2.885 -1.819 268 HB3 LEU 42 2HB LEU 42 2.242 1.574 0.687 269 HG LEU 42 HG LEU 42 2.062 1.158 -2.308 270 HD11 LEU 42 1HD1 LEU 42 1.296 -1.246 -1.775 271 HD12 LEU 42 2HD1 LEU 42 2.350 -1.019 -0.360 272 HD13 LEU 42 3HD1 LEU 42 2.990 -0.823 -2.009 273 HD21 LEU 42 3HD2 LEU 42 0.089 1.015 0.008 274 HD22 LEU 42 1HD2 LEU 42 -0.287 0.259 -1.548 275 HD23 LEU 42 2HD2 LEU 42 -0.013 1.983 -1.461 276 H VAL 43 H VAL 43 1.689 4.286 -2.712 277 HA VAL 43 HA VAL 43 -0.673 4.842 -1.021 278 HB VAL 43 HB VAL 43 0.909 6.901 -2.590 279 HG11 VAL 43 1HG1 VAL 43 -0.782 8.560 -1.949 280 HG12 VAL 43 2HG1 VAL 43 -1.465 7.344 -3.017 281 HG13 VAL 43 3HG1 VAL 43 -1.796 7.282 -1.270 282 HG21 VAL 43 3HG2 VAL 43 0.394 6.560 0.315 283 HG22 VAL 43 1HG2 VAL 43 1.935 6.708 -0.521 284 HG23 VAL 43 2HG2 VAL 43 0.873 8.113 -0.381 285 H GLY 44 H GLY 44 -2.623 4.988 -2.231 286 HA2 GLY 44 1HA GLY 44 -3.215 5.028 -4.849 287 HA3 GLY 44 2HA GLY 44 -2.537 3.406 -4.745 288 H GLY 45 H GLY 45 -4.448 4.533 -1.952 289 HA2 GLY 45 1HA GLY 45 -6.467 3.757 -1.173 290 HA3 GLY 45 2HA GLY 45 -6.931 3.627 -2.871 291 H VAL 46 H VAL 46 -8.275 1.862 -1.742 292 HA VAL 46 HA VAL 46 -7.092 -0.584 -2.587 293 HB VAL 46 HB VAL 46 -6.509 -0.415 -0.123 294 HG11 VAL 46 1HG1 VAL 46 -9.460 -0.806 0.371 295 HG12 VAL 46 2HG1 VAL 46 -8.188 -0.708 1.581 296 HG13 VAL 46 3HG1 VAL 46 -8.564 0.709 0.623 297 HG21 VAL 46 3HG2 VAL 46 -6.591 -2.667 -1.051 298 HG22 VAL 46 1HG2 VAL 46 -6.943 -2.562 0.646 299 HG23 VAL 46 2HG2 VAL 46 -8.270 -2.782 -0.461 300 H ILE 47 H ILE 47 -8.694 -1.662 -3.733 301 HA ILE 47 HA ILE 47 -11.510 -0.606 -3.653 302 HB ILE 47 HB ILE 47 -9.935 -1.866 -5.917 303 HG13 ILE 47 2HG1 ILE 47 -9.638 0.722 -5.124 304 HG21 ILE 47 1HG2 ILE 47 -12.340 -2.442 -6.120 305 HG22 ILE 47 2HG2 ILE 47 -12.773 -0.731 -5.939 306 HG23 ILE 47 3HG2 ILE 47 -11.873 -1.294 -7.364 307 HD11 ILE 47 3HD1 ILE 47 -9.780 -0.309 -7.966 308 HD12 ILE 47 1HD1 ILE 47 -8.986 1.207 -7.448 309 HD13 ILE 47 2HD1 ILE 47 -8.381 -0.373 -6.870 310 H PHE 48 H PHE 48 -12.545 -2.014 -2.437 311 HA PHE 48 HA PHE 48 -11.896 -4.939 -2.378 312 HB3 PHE 48 2HB PHE 48 -13.982 -4.854 -0.773 313 HD1 PHE 48 2HD PHE 48 -11.126 -2.399 -0.183 314 HD2 PHE 48 1HD PHE 48 -12.911 -6.218 0.792 315 HE1 PHE 48 2HE PHE 48 -9.673 -2.599 1.819 316 HE2 PHE 48 1HE PHE 48 -11.393 -6.407 2.745 317 HZ PHE 48 HZ PHE 48 -9.850 -4.565 3.297 318 H GLU 49 H GLU 49 -13.528 -6.608 -2.679 319 HA GLU 49 HA GLU 49 -14.938 -6.552 -5.096 320 HB3 GLU 49 2HB GLU 49 -16.293 -8.440 -3.779 321 HG3 GLU 49 2HG GLU 49 -14.241 -9.952 -4.049 322 H ASP 50 H ASP 50 -16.066 -5.724 -1.828 323 HA ASP 50 HA ASP 50 -18.848 -5.884 -2.537 324 HB3 ASP 50 2HB ASP 50 -18.218 -4.476 -0.020 325 H GLY 51 H GLY 51 -16.752 -3.603 -3.390 326 HA2 GLY 51 1HA GLY 51 -17.066 -1.640 -4.462 327 HA3 GLY 51 2HA GLY 51 -18.708 -1.454 -3.826 328 H ARG 52 H ARG 52 -15.369 -1.642 -2.532 329 HA ARG 52 HA ARG 52 -16.082 0.626 -0.749 330 HB3 ARG 52 2HB ARG 52 -15.260 -0.253 1.130 331 HG3 ARG 52 2HG ARG 52 -16.430 -2.634 -0.317 332 HD3 ARG 52 2HD ARG 52 -15.038 -3.160 1.815 333 HE ARG 52 HE ARG 52 -16.393 -1.101 2.934 334 HH11 ARG 52 1HH1 ARG 52 -16.391 -4.556 3.765 335 HH12 ARG 52 2HH1 ARG 52 -17.210 -4.292 5.284 336 HH21 ARG 52 1HH2 ARG 52 -17.247 -0.770 4.887 337 HH22 ARG 52 2HH2 ARG 52 -17.696 -2.073 5.959 338 H HIS 53 H HIS 53 -14.940 2.189 -1.895 339 HA HIS 53 HA HIS 53 -12.043 1.639 -2.367 340 HB3 HIS 53 2HB HIS 53 -13.522 4.109 -3.252 341 HD1 HIS 53 1HD HIS 53 -12.237 5.278 -5.386 342 HD2 HIS 53 2HD HIS 53 -10.086 2.258 -3.376 343 HE1 HIS 53 1HE HIS 53 -9.849 5.425 -6.181 344 H TYR 54 H TYR 54 -10.446 3.151 -1.590 345 HA TYR 54 HA TYR 54 -11.098 5.015 0.558 346 HB3 TYR 54 2HB TYR 54 -9.733 3.839 2.182 347 HD1 TYR 54 1HD TYR 54 -10.894 0.815 0.351 348 HD2 TYR 54 2HD TYR 54 -11.801 3.697 3.365 349 HE1 TYR 54 1HE TYR 54 -12.520 -0.739 1.325 350 HE2 TYR 54 2HE TYR 54 -13.643 2.325 4.195 351 HH TYR 54 HH TYR 54 -14.901 0.235 3.700 352 H THR 55 H THR 55 -8.764 5.799 1.469 353 HA THR 55 HA THR 55 -6.805 5.904 -0.767 354 HB THR 55 HB THR 55 -6.313 8.180 0.021 355 HG1 THR 55 1HG THR 55 -7.241 8.293 2.018 356 HG21 THR 55 3HG2 THR 55 -7.729 7.799 -1.968 357 HG22 THR 55 1HG2 THR 55 -8.209 9.261 -1.100 358 HG23 THR 55 2HG2 THR 55 -9.181 7.789 -0.947 359 H PHE 56 H PHE 56 -5.472 4.233 0.099 360 HA PHE 56 HA PHE 56 -4.523 4.273 2.802 361 HB3 PHE 56 2HB PHE 56 -2.544 3.011 1.313 362 HD1 PHE 56 1HD PHE 56 -3.852 2.701 4.068 363 HD2 PHE 56 2HD PHE 56 -4.179 0.511 0.378 364 HE1 PHE 56 1HE PHE 56 -4.031 0.592 5.336 365 HE2 PHE 56 2HE PHE 56 -4.326 -1.586 1.636 366 HZ PHE 56 HZ PHE 56 -4.159 -1.573 4.134 367 H VAL 57 H VAL 57 -2.843 5.359 3.686 368 HA VAL 57 HA VAL 57 -0.739 6.354 1.905 369 HB VAL 57 HB VAL 57 -1.947 8.034 4.139 370 HG11 VAL 57 1HG1 VAL 57 0.471 8.424 3.812 371 HG12 VAL 57 2HG1 VAL 57 0.233 8.601 2.059 372 HG13 VAL 57 3HG1 VAL 57 -0.460 9.786 3.185 373 HG21 VAL 57 3HG2 VAL 57 -3.497 8.045 2.240 374 HG22 VAL 57 1HG2 VAL 57 -2.626 9.574 2.269 375 HG23 VAL 57 2HG2 VAL 57 -2.152 8.311 1.112 376 H TYR 58 H TYR 58 0.913 5.038 2.476 377 HA TYR 58 HA TYR 58 1.519 4.728 5.381 378 HB3 TYR 58 2HB TYR 58 2.619 3.207 2.994 379 HD1 TYR 58 1HD TYR 58 2.070 2.990 6.739 380 HD2 TYR 58 2HD TYR 58 4.623 2.018 3.410 381 HE1 TYR 58 1HE TYR 58 3.481 1.664 8.245 382 HE2 TYR 58 2HE TYR 58 6.078 0.716 4.920 383 HH TYR 58 HH TYR 58 5.470 0.378 8.454 384 H GLU 59 H GLU 59 2.704 6.520 6.002 385 HA GLU 59 HA GLU 59 4.923 7.377 4.200 386 HB3 GLU 59 2HB GLU 59 3.623 9.270 4.828 387 HG3 GLU 59 2HG GLU 59 3.569 8.250 7.555 388 H ASN 60 H ASN 60 6.340 5.824 4.486 389 HA ASN 60 HA ASN 60 8.044 4.702 5.240 390 HB3 ASN 60 2HB ASN 60 8.310 6.396 7.716 391 HD21 ASN 60 1HD2 ASN 60 9.376 3.573 7.027 392 HD22 ASN 60 2HD2 ASN 60 11.099 3.776 6.770 393 H GLU 61 H GLU 61 6.197 5.347 8.204 394 HA GLU 61 HA GLU 61 6.119 2.458 8.778 395 HB3 GLU 61 2HB GLU 61 6.915 2.760 11.091 396 HG3 GLU 61 2HG GLU 61 9.067 3.840 9.294 397 H ASP 62 H ASP 62 4.313 5.262 8.529 398 HA ASP 62 HA ASP 62 2.371 4.369 10.631 399 HB3 ASP 62 2HB ASP 62 1.903 7.075 10.034 400 H LEU 63 H LEU 63 0.506 3.592 9.793 401 HA LEU 63 HA LEU 63 0.019 4.027 6.909 402 HB3 LEU 63 2HB LEU 63 -1.094 1.718 8.503 403 HG LEU 63 HG LEU 63 0.393 1.288 5.951 404 HD11 LEU 63 1HD1 LEU 63 -0.600 -0.574 7.220 405 HD12 LEU 63 2HD1 LEU 63 -1.334 -0.446 5.614 406 HD13 LEU 63 3HD1 LEU 63 -2.216 0.143 7.043 407 HD21 LEU 63 3HD2 LEU 63 -2.404 2.437 5.854 408 HD22 LEU 63 1HD2 LEU 63 -1.511 1.690 4.501 409 HD23 LEU 63 2HD2 LEU 63 -0.932 3.189 5.189 410 H VAL 64 H VAL 64 -1.780 5.220 6.363 411 HA VAL 64 HA VAL 64 -4.052 5.344 8.298 412 HB VAL 64 HB VAL 64 -3.317 7.644 6.496 413 HG11 VAL 64 1HG1 VAL 64 -4.565 7.436 9.270 414 HG12 VAL 64 2HG1 VAL 64 -4.173 8.960 8.448 415 HG13 VAL 64 3HG1 VAL 64 -5.374 7.890 7.755 416 HG21 VAL 64 3HG2 VAL 64 -1.858 8.616 8.283 417 HG22 VAL 64 1HG2 VAL 64 -1.781 6.976 9.023 418 HG23 VAL 64 2HG2 VAL 64 -1.186 7.260 7.390 419 H TYR 65 H TYR 65 -6.164 5.938 7.344 420 HA TYR 65 HA TYR 65 -6.548 6.391 4.637 421 HB3 TYR 65 2HB TYR 65 -6.294 3.953 4.342 422 HD1 TYR 65 1HD TYR 65 -9.730 3.986 5.822 423 HD2 TYR 65 2HD TYR 65 -5.694 2.475 6.166 424 HE1 TYR 65 1HE TYR 65 -10.516 2.219 7.380 425 HE2 TYR 65 2HE TYR 65 -6.467 0.753 7.761 426 HH TYR 65 HH TYR 65 -9.892 0.116 8.439 427 H GLU 66 H GLU 66 -9.034 6.445 4.245 428 HA GLU 66 HA GLU 66 -10.676 6.333 6.669 429 HB3 GLU 66 2HB GLU 66 -11.952 8.376 5.727 430 HG3 GLU 66 2HG GLU 66 -9.281 9.059 7.003 431 H GLU 67 H GLU 67 -11.406 7.462 3.342 432 HA GLU 67 HA GLU 67 -12.602 5.164 2.186 433 HB3 GLU 67 2HB GLU 67 -14.439 7.081 3.679 434 HG3 GLU 67 2HG GLU 67 -14.978 4.905 1.633 435 H GLU 68 H GLU 68 -13.293 5.644 0.080 436 HA GLU 68 HA GLU 68 -13.032 8.443 -0.833 437 HB3 GLU 68 2HB GLU 68 -13.012 6.375 -2.943 438 HG3 GLU 68 2HG GLU 68 -11.117 8.647 -2.246 439 H VAL 69 H VAL 69 -14.976 9.290 -1.289 440 HA VAL 69 HA VAL 69 -17.024 7.705 -2.602 441 HB VAL 69 HB VAL 69 -17.566 7.017 -0.413 442 HG11 VAL 69 1HG1 VAL 69 -17.955 8.493 1.508 443 HG12 VAL 69 2HG1 VAL 69 -16.281 8.608 0.961 444 HG13 VAL 69 3HG1 VAL 69 -17.415 9.884 0.541 445 HG21 VAL 69 3HG2 VAL 69 -19.365 9.371 -1.059 446 HG22 VAL 69 1HG2 VAL 69 -19.473 7.753 -1.779 447 HG23 VAL 69 2HG2 VAL 69 -19.775 7.984 -0.035 448 H LEU 70 H LEU 70 -17.248 9.041 -4.266 449 HA LEU 70 HA LEU 70 -16.835 11.943 -4.063 450 HB3 LEU 70 2HB LEU 70 -17.591 11.972 -6.431 451 HG LEU 70 HG LEU 70 -15.130 11.571 -5.790 452 HD11 LEU 70 1HD1 LEU 70 -14.252 9.345 -6.634 453 HD12 LEU 70 2HD1 LEU 70 -15.915 8.748 -6.657 454 HD13 LEU 70 3HD1 LEU 70 -15.137 9.229 -5.128 455 HD21 LEU 70 3HD2 LEU 70 -15.873 12.306 -8.015 456 HD22 LEU 70 1HD2 LEU 70 -16.171 10.623 -8.491 457 HD23 LEU 70 2HD2 LEU 70 -14.521 11.182 -8.145
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