NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18236 | 2dju | 10260 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 6.067 -20.335 10.932 2 HA2 GLY 1 1HA GLY 1 8.208 -21.556 11.848 3 HA3 GLY 1 2HA GLY 1 8.558 -21.646 10.128 4 H SER 2 H SER 2 9.316 -19.991 12.796 5 HA SER 2 HA SER 2 9.762 -17.489 11.303 6 HB2 SER 2 1HB SER 2 8.100 -17.204 13.121 7 HB3 SER 2 2HB SER 2 9.303 -17.760 14.284 8 HG SER 2 HG SER 2 10.586 -15.963 13.700 9 H SER 3 H SER 3 11.552 -19.633 11.232 10 HA SER 3 HA SER 3 13.846 -18.443 12.626 11 HB2 SER 3 1HB SER 3 13.178 -21.393 12.519 12 HB3 SER 3 2HB SER 3 14.724 -20.743 13.067 13 HG SER 3 HG SER 3 13.504 -21.007 14.877 14 H GLY 4 H GLY 4 15.657 -18.264 11.420 15 HA2 GLY 4 1HA GLY 4 17.168 -18.941 9.712 16 HA3 GLY 4 2HA GLY 4 15.849 -19.791 8.922 17 H SER 5 H SER 5 17.862 -17.317 8.505 18 HA SER 5 HA SER 5 15.874 -15.536 7.278 19 HB2 SER 5 1HB SER 5 17.541 -14.579 8.906 20 HB3 SER 5 2HB SER 5 18.810 -14.976 7.747 21 HG SER 5 HG SER 5 17.465 -12.786 7.802 22 H SER 6 H SER 6 15.535 -16.927 5.465 23 HA SER 6 HA SER 6 17.794 -17.326 3.661 24 HB2 SER 6 1HB SER 6 15.920 -19.069 4.236 25 HB3 SER 6 2HB SER 6 14.991 -18.184 3.026 26 HG SER 6 HG SER 6 16.883 -20.017 2.644 27 H GLY 7 H GLY 7 18.005 -15.010 3.248 28 HA2 GLY 7 1HA GLY 7 17.619 -13.942 0.968 29 HA3 GLY 7 2HA GLY 7 15.924 -13.972 1.431 30 HA PRO 8 HA PRO 8 17.721 -9.865 2.641 31 HB2 PRO 8 1HB PRO 8 15.703 -8.396 1.571 32 HB3 PRO 8 2HB PRO 8 17.115 -8.912 0.640 33 HG2 PRO 8 1HG PRO 8 14.375 -10.113 0.749 34 HG3 PRO 8 2HG PRO 8 15.416 -9.827 -0.658 35 HD2 PRO 8 1HD PRO 8 15.173 -12.261 0.504 36 HD3 PRO 8 2HD PRO 8 16.677 -11.716 -0.266 37 H LYS 9 H LYS 9 16.539 -8.081 3.862 38 HA LYS 9 HA LYS 9 14.645 -9.336 5.724 39 HB2 LYS 9 1HB LYS 9 16.443 -6.929 6.059 40 HB3 LYS 9 2HB LYS 9 15.303 -7.494 7.272 41 HG2 LYS 9 1HG LYS 9 17.340 -9.389 6.212 42 HG3 LYS 9 2HG LYS 9 17.826 -8.164 7.386 43 HD2 LYS 9 1HD LYS 9 15.495 -10.018 7.823 44 HD3 LYS 9 2HD LYS 9 17.138 -10.405 8.337 45 HE2 LYS 9 1HE LYS 9 17.140 -8.820 9.984 46 HE3 LYS 9 2HE LYS 9 16.011 -7.772 9.128 47 HZ1 LYS 9 1HZ LYS 9 14.418 -8.578 10.413 48 HZ2 LYS 9 2HZ LYS 9 15.474 -9.687 11.130 49 HZ3 LYS 9 3HZ LYS 9 14.639 -10.106 9.719 50 HA PRO 10 HA PRO 10 11.337 -6.728 4.483 51 HB2 PRO 10 1HB PRO 10 10.010 -6.427 6.833 52 HB3 PRO 10 2HB PRO 10 10.010 -7.939 5.916 53 HG2 PRO 10 1HG PRO 10 11.652 -7.169 8.298 54 HG3 PRO 10 2HG PRO 10 10.829 -8.701 7.954 55 HD2 PRO 10 1HD PRO 10 13.487 -8.357 7.570 56 HD3 PRO 10 2HD PRO 10 12.506 -9.434 6.554 57 HA PRO 11 HA PRO 11 12.513 -2.548 5.275 58 HB2 PRO 11 1HB PRO 11 10.254 -1.306 4.421 59 HB3 PRO 11 2HB PRO 11 11.429 -2.031 3.317 60 HG2 PRO 11 1HG PRO 11 8.830 -3.136 4.310 61 HG3 PRO 11 2HG PRO 11 9.508 -3.172 2.672 62 HD2 PRO 11 1HD PRO 11 9.622 -5.300 4.343 63 HD3 PRO 11 2HD PRO 11 10.888 -4.956 3.147 64 H ILE 12 H ILE 12 12.194 -0.887 6.753 65 HA ILE 12 HA ILE 12 10.124 -1.390 8.790 66 HB ILE 12 HB ILE 12 11.591 -0.368 10.439 67 HG12 ILE 12 1HG1 ILE 12 13.692 -0.237 8.269 68 HG13 ILE 12 2HG1 ILE 12 12.746 1.150 8.798 69 HG21 ILE 12 1HG2 ILE 12 13.586 -2.196 9.463 70 HG22 ILE 12 2HG2 ILE 12 12.479 -2.367 10.825 71 HG23 ILE 12 3HG2 ILE 12 11.968 -2.848 9.207 72 HD11 ILE 12 1HD1 ILE 12 15.087 -0.060 9.984 73 HD12 ILE 12 2HD1 ILE 12 14.363 1.523 10.266 74 HD13 ILE 12 3HD1 ILE 12 13.769 0.113 11.143 75 H ASP 13 H ASP 13 9.797 0.726 10.155 76 HA ASP 13 HA ASP 13 8.920 2.823 10.244 77 HB2 ASP 13 1HB ASP 13 11.046 3.118 8.160 78 HB3 ASP 13 2HB ASP 13 9.920 4.446 8.426 79 H LEU 14 H LEU 14 7.477 0.858 8.841 80 HA LEU 14 HA LEU 14 6.503 1.894 6.362 81 HB2 LEU 14 1HB LEU 14 6.483 -0.537 7.332 82 HB3 LEU 14 2HB LEU 14 4.948 -0.028 8.034 83 HG LEU 14 HG LEU 14 4.103 0.460 5.770 84 HD11 LEU 14 1HD1 LEU 14 6.891 0.010 5.094 85 HD12 LEU 14 2HD1 LEU 14 5.619 0.819 4.179 86 HD13 LEU 14 3HD1 LEU 14 5.788 -0.934 4.092 87 HD21 LEU 14 1HD2 LEU 14 3.455 -1.635 6.548 88 HD22 LEU 14 2HD2 LEU 14 5.093 -2.285 6.457 89 HD23 LEU 14 3HD2 LEU 14 4.176 -1.989 4.978 90 H VAL 15 H VAL 15 5.635 3.903 6.521 91 HA VAL 15 HA VAL 15 3.119 4.119 7.987 92 HB VAL 15 HB VAL 15 5.120 6.357 8.179 93 HG11 VAL 15 1HG1 VAL 15 3.202 7.337 8.833 94 HG12 VAL 15 2HG1 VAL 15 2.413 5.798 9.183 95 HG13 VAL 15 3HG1 VAL 15 3.523 6.509 10.357 96 HG21 VAL 15 1HG2 VAL 15 5.628 5.582 10.461 97 HG22 VAL 15 2HG2 VAL 15 4.689 4.120 10.158 98 HG23 VAL 15 3HG2 VAL 15 6.157 4.433 9.232 99 H VAL 16 H VAL 16 1.697 5.700 7.168 100 HA VAL 16 HA VAL 16 2.354 6.561 4.436 101 HB VAL 16 HB VAL 16 0.419 5.279 4.289 102 HG11 VAL 16 1HG1 VAL 16 -0.340 4.743 6.361 103 HG12 VAL 16 2HG1 VAL 16 -0.173 6.390 6.970 104 HG13 VAL 16 3HG1 VAL 16 -1.548 5.960 5.952 105 HG21 VAL 16 1HG2 VAL 16 0.271 7.937 3.701 106 HG22 VAL 16 2HG2 VAL 16 -0.936 6.734 3.245 107 HG23 VAL 16 3HG2 VAL 16 -1.167 7.708 4.697 108 H THR 17 H THR 17 2.362 8.662 3.871 109 HA THR 17 HA THR 17 1.957 10.623 6.008 110 HB THR 17 HB THR 17 4.120 10.651 4.796 111 HG1 THR 17 1HG THR 17 4.166 12.812 4.860 112 HG21 THR 17 1HG2 THR 17 2.480 11.555 2.426 113 HG22 THR 17 2HG2 THR 17 3.224 9.964 2.587 114 HG23 THR 17 3HG2 THR 17 4.235 11.405 2.501 115 H GLU 18 H GLU 18 1.034 9.999 2.639 116 HA GLU 18 HA GLU 18 -1.179 11.915 2.982 117 HB2 GLU 18 1HB GLU 18 0.615 11.349 0.667 118 HB3 GLU 18 2HB GLU 18 -1.051 11.802 0.334 119 HG2 GLU 18 1HG GLU 18 0.557 13.466 2.207 120 HG3 GLU 18 2HG GLU 18 0.830 13.608 0.472 121 H THR 19 H THR 19 -3.218 11.344 2.218 122 HA THR 19 HA THR 19 -3.575 8.616 1.213 123 HB THR 19 HB THR 19 -5.689 8.666 2.845 124 HG1 THR 19 1HG THR 19 -3.722 9.875 4.483 125 HG21 THR 19 1HG2 THR 19 -4.627 6.808 3.462 126 HG22 THR 19 2HG2 THR 19 -3.597 7.775 4.517 127 HG23 THR 19 3HG2 THR 19 -3.099 7.447 2.858 128 H THR 20 H THR 20 -4.578 8.901 -0.667 129 HA THR 20 HA THR 20 -6.512 11.077 -0.965 130 HB THR 20 HB THR 20 -5.810 9.307 -3.257 131 HG1 THR 20 1HG THR 20 -3.897 10.695 -3.539 132 HG21 THR 20 1HG2 THR 20 -7.098 10.963 -4.100 133 HG22 THR 20 2HG2 THR 20 -5.586 11.872 -4.096 134 HG23 THR 20 3HG2 THR 20 -6.734 12.063 -2.771 135 H ALA 21 H ALA 21 -8.507 10.615 -2.222 136 HA ALA 21 HA ALA 21 -10.028 8.597 -0.989 137 HB1 ALA 21 1HB ALA 21 -11.310 10.371 -1.700 138 HB2 ALA 21 2HB ALA 21 -10.496 10.473 -3.262 139 HB3 ALA 21 3HB ALA 21 -11.649 9.175 -2.952 140 H THR 22 H THR 22 -8.244 8.690 -3.998 141 HA THR 22 HA THR 22 -8.947 5.862 -4.436 142 HB THR 22 HB THR 22 -8.712 6.239 -6.871 143 HG1 THR 22 1HG THR 22 -7.479 8.329 -6.383 144 HG21 THR 22 1HG2 THR 22 -10.944 6.246 -6.425 145 HG22 THR 22 2HG2 THR 22 -10.789 7.926 -6.938 146 HG23 THR 22 3HG2 THR 22 -10.809 7.527 -5.221 147 H SER 23 H SER 23 -6.645 7.293 -3.103 148 HA SER 23 HA SER 23 -4.574 5.622 -4.162 149 HB2 SER 23 1HB SER 23 -4.279 8.624 -4.437 150 HB3 SER 23 2HB SER 23 -2.992 7.448 -4.702 151 HG SER 23 HG SER 23 -5.388 7.766 -6.181 152 H VAL 24 H VAL 24 -2.493 5.952 -2.939 153 HA VAL 24 HA VAL 24 -2.729 7.316 -0.391 154 HB VAL 24 HB VAL 24 -2.163 4.358 -0.352 155 HG11 VAL 24 1HG1 VAL 24 -1.608 4.749 1.759 156 HG12 VAL 24 2HG1 VAL 24 -1.953 6.467 1.545 157 HG13 VAL 24 3HG1 VAL 24 -3.230 5.367 2.070 158 HG21 VAL 24 1HG2 VAL 24 -4.791 5.740 0.183 159 HG22 VAL 24 2HG2 VAL 24 -4.439 4.651 -1.159 160 HG23 VAL 24 3HG2 VAL 24 -4.447 4.038 0.494 161 H THR 25 H THR 25 -0.758 7.707 0.597 162 HA THR 25 HA THR 25 1.601 7.001 -1.019 163 HB THR 25 HB THR 25 1.263 9.336 0.874 164 HG1 THR 25 1HG THR 25 1.521 10.398 -1.352 165 HG21 THR 25 1HG2 THR 25 3.367 10.097 -0.380 166 HG22 THR 25 2HG2 THR 25 3.525 8.412 -0.877 167 HG23 THR 25 3HG2 THR 25 3.556 8.833 0.835 168 H LEU 26 H LEU 26 2.731 5.392 -0.152 169 HA LEU 26 HA LEU 26 2.910 5.209 2.780 170 HB2 LEU 26 1HB LEU 26 1.964 3.296 1.331 171 HB3 LEU 26 2HB LEU 26 3.643 3.009 0.881 172 HG LEU 26 HG LEU 26 4.065 2.837 3.420 173 HD11 LEU 26 1HD1 LEU 26 2.183 2.139 4.753 174 HD12 LEU 26 2HD1 LEU 26 1.100 2.299 3.370 175 HD13 LEU 26 3HD1 LEU 26 1.856 3.731 4.068 176 HD21 LEU 26 1HD2 LEU 26 4.249 0.951 1.920 177 HD22 LEU 26 2HD2 LEU 26 2.498 0.741 1.920 178 HD23 LEU 26 3HD2 LEU 26 3.421 0.456 3.396 179 H THR 27 H THR 27 4.883 5.057 3.785 180 HA THR 27 HA THR 27 7.271 5.300 2.080 181 HB THR 27 HB THR 27 8.241 6.897 3.681 182 HG1 THR 27 1HG THR 27 6.599 6.096 5.375 183 HG21 THR 27 1HG2 THR 27 7.409 8.203 2.032 184 HG22 THR 27 2HG2 THR 27 6.262 8.695 3.278 185 HG23 THR 27 3HG2 THR 27 5.813 7.458 2.105 186 H TRP 28 H TRP 28 9.277 4.666 3.124 187 HA TRP 28 HA TRP 28 9.340 3.386 5.645 188 HB2 TRP 28 1HB TRP 28 9.530 1.067 4.978 189 HB3 TRP 28 2HB TRP 28 7.996 1.707 4.395 190 HD1 TRP 28 HD TRP 28 11.401 0.487 3.143 191 HE1 TRP 28 1HE TRP 28 11.233 0.037 0.614 192 HE3 TRP 28 3HE TRP 28 6.729 2.379 2.290 193 HZ2 TRP 28 2HZ TRP 28 9.367 0.432 -1.467 194 HZ3 TRP 28 3HZ TRP 28 5.826 2.305 0.002 195 HH2 TRP 28 HH TRP 28 7.120 1.352 -1.836 196 H ASP 29 H ASP 29 11.417 1.986 5.819 197 HA ASP 29 HA ASP 29 13.531 3.373 4.311 198 HB2 ASP 29 1HB ASP 29 13.352 3.622 6.873 199 HB3 ASP 29 2HB ASP 29 13.949 1.966 6.938 200 H SER 30 H SER 30 15.412 2.167 3.706 201 HA SER 30 HA SER 30 14.966 -0.161 2.346 202 HB2 SER 30 1HB SER 30 17.434 -0.510 2.402 203 HB3 SER 30 2HB SER 30 16.981 1.145 1.995 204 HG SER 30 HG SER 30 18.689 0.901 3.606 205 H GLY 31 H GLY 31 16.250 0.137 5.650 206 HA2 GLY 31 1HA GLY 31 15.991 -1.325 7.430 207 HA3 GLY 31 2HA GLY 31 15.074 -2.392 6.377 208 H ASN 32 H ASN 32 16.797 -3.011 4.396 209 HA ASN 32 HA ASN 32 18.783 -4.602 5.825 210 HB2 ASN 32 1HB ASN 32 19.007 -5.522 3.332 211 HB3 ASN 32 2HB ASN 32 17.722 -6.060 4.410 212 HD21 ASN 32 1HD2 ASN 32 15.647 -5.623 3.915 213 HD22 ASN 32 2HD2 ASN 32 15.144 -4.775 2.497 214 H SER 33 H SER 33 20.949 -4.415 5.560 215 HA SER 33 HA SER 33 21.947 -1.976 4.429 216 HB2 SER 33 1HB SER 33 23.244 -4.326 5.800 217 HB3 SER 33 2HB SER 33 24.202 -3.026 5.092 218 HG SER 33 HG SER 33 23.703 -1.809 6.725 219 H GLU 34 H GLU 34 21.988 -5.381 3.542 220 HA GLU 34 HA GLU 34 23.846 -5.202 1.433 221 HB2 GLU 34 1HB GLU 34 23.202 -7.377 0.853 222 HB3 GLU 34 2HB GLU 34 22.905 -7.298 2.583 223 HG2 GLU 34 1HG GLU 34 20.504 -6.718 1.987 224 HG3 GLU 34 2HG GLU 34 20.910 -7.220 0.346 225 HA PRO 35 HA PRO 35 21.600 -3.146 -1.739 226 HB2 PRO 35 1HB PRO 35 22.846 -4.177 -3.919 227 HB3 PRO 35 2HB PRO 35 23.603 -2.987 -2.853 228 HG2 PRO 35 1HG PRO 35 23.950 -5.960 -2.922 229 HG3 PRO 35 2HG PRO 35 25.178 -4.694 -2.738 230 HD2 PRO 35 1HD PRO 35 24.214 -6.104 -0.637 231 HD3 PRO 35 2HD PRO 35 24.733 -4.412 -0.494 232 H VAL 36 H VAL 36 19.526 -3.709 -2.042 233 HA VAL 36 HA VAL 36 18.887 -6.397 -3.015 234 HB VAL 36 HB VAL 36 16.767 -4.412 -2.334 235 HG11 VAL 36 1HG1 VAL 36 16.198 -6.854 -1.186 236 HG12 VAL 36 2HG1 VAL 36 15.602 -6.272 -2.742 237 HG13 VAL 36 3HG1 VAL 36 17.044 -7.286 -2.672 238 HG21 VAL 36 1HG2 VAL 36 18.754 -5.534 -0.442 239 HG22 VAL 36 2HG2 VAL 36 17.870 -4.009 -0.385 240 HG23 VAL 36 3HG2 VAL 36 17.067 -5.511 0.070 241 H THR 37 H THR 37 17.304 -6.650 -4.731 242 HA THR 37 HA THR 37 17.907 -4.993 -6.975 243 HB THR 37 HB THR 37 15.754 -7.106 -6.771 244 HG1 THR 37 1HG THR 37 17.596 -8.307 -7.891 245 HG21 THR 37 1HG2 THR 37 17.274 -6.147 -9.193 246 HG22 THR 37 2HG2 THR 37 15.687 -5.532 -8.730 247 HG23 THR 37 3HG2 THR 37 15.885 -7.232 -9.153 248 H TYR 38 H TYR 38 14.699 -5.859 -5.680 249 HA TYR 38 HA TYR 38 13.887 -3.061 -5.826 250 HB2 TYR 38 1HB TYR 38 12.014 -3.439 -7.238 251 HB3 TYR 38 2HB TYR 38 13.387 -4.190 -8.043 252 HD1 TYR 38 2HD TYR 38 13.651 -6.687 -7.925 253 HD2 TYR 38 1HD TYR 38 10.121 -4.710 -6.607 254 HE1 TYR 38 2HE TYR 38 12.421 -8.814 -8.046 255 HE2 TYR 38 1HE TYR 38 8.882 -6.831 -6.724 256 HH TYR 38 HH TYR 38 10.500 -9.855 -7.641 257 H TYR 39 H TYR 39 11.415 -2.993 -5.143 258 HA TYR 39 HA TYR 39 11.039 -4.856 -2.894 259 HB2 TYR 39 1HB TYR 39 10.751 -1.853 -2.906 260 HB3 TYR 39 2HB TYR 39 10.017 -2.867 -1.668 261 HD1 TYR 39 1HD TYR 39 13.359 -2.504 -3.318 262 HD2 TYR 39 2HD TYR 39 11.189 -3.046 0.302 263 HE1 TYR 39 1HE TYR 39 15.470 -2.479 -2.056 264 HE2 TYR 39 2HE TYR 39 13.294 -3.022 1.574 265 HH TYR 39 HH TYR 39 15.508 -2.926 1.469 266 H GLY 40 H GLY 40 9.184 -5.920 -3.030 267 HA2 GLY 40 1HA GLY 40 7.139 -5.029 -4.892 268 HA3 GLY 40 2HA GLY 40 7.174 -6.562 -4.033 269 H ILE 41 H ILE 41 4.868 -4.984 -4.313 270 HA ILE 41 HA ILE 41 4.369 -4.323 -1.492 271 HB ILE 41 HB ILE 41 3.277 -2.734 -3.816 272 HG12 ILE 41 1HG1 ILE 41 5.393 -1.973 -1.791 273 HG13 ILE 41 2HG1 ILE 41 5.698 -2.362 -3.480 274 HG21 ILE 41 1HG2 ILE 41 2.141 -3.067 -1.393 275 HG22 ILE 41 2HG2 ILE 41 3.182 -1.682 -1.069 276 HG23 ILE 41 3HG2 ILE 41 1.983 -1.601 -2.360 277 HD11 ILE 41 1HD1 ILE 41 3.883 -0.410 -3.779 278 HD12 ILE 41 2HD1 ILE 41 4.632 0.091 -2.262 279 HD13 ILE 41 3HD1 ILE 41 5.623 -0.130 -3.704 280 H GLN 42 H GLN 42 2.423 -4.972 -0.684 281 HA GLN 42 HA GLN 42 0.506 -6.188 -2.550 282 HB2 GLN 42 1HB GLN 42 1.641 -7.407 -0.038 283 HB3 GLN 42 2HB GLN 42 0.144 -7.971 -0.768 284 HG2 GLN 42 1HG GLN 42 1.610 -9.424 -1.714 285 HG3 GLN 42 2HG GLN 42 1.644 -8.138 -2.919 286 HE21 GLN 42 1HE2 GLN 42 3.621 -10.219 -1.956 287 HE22 GLN 42 2HE2 GLN 42 5.067 -9.320 -1.665 288 H TYR 43 H TYR 43 -1.616 -5.860 -2.087 289 HA TYR 43 HA TYR 43 -2.509 -5.002 0.502 290 HB2 TYR 43 1HB TYR 43 -3.411 -2.813 -0.308 291 HB3 TYR 43 2HB TYR 43 -1.654 -2.873 -0.226 292 HD1 TYR 43 1HD TYR 43 -0.493 -3.634 -2.496 293 HD2 TYR 43 2HD TYR 43 -4.375 -1.917 -2.202 294 HE1 TYR 43 1HE TYR 43 -0.355 -2.935 -4.850 295 HE2 TYR 43 2HE TYR 43 -4.249 -1.215 -4.556 296 HH TYR 43 HH TYR 43 -2.885 -2.107 -6.673 297 H ARG 44 H ARG 44 -4.833 -4.763 0.614 298 HA ARG 44 HA ARG 44 -6.518 -5.240 -1.613 299 HB2 ARG 44 1HB ARG 44 -5.904 -7.475 -1.697 300 HB3 ARG 44 2HB ARG 44 -5.669 -7.582 0.042 301 HG2 ARG 44 1HG ARG 44 -7.906 -7.903 0.464 302 HG3 ARG 44 2HG ARG 44 -8.409 -7.121 -1.036 303 HD2 ARG 44 1HD ARG 44 -7.045 -9.803 -0.815 304 HD3 ARG 44 2HD ARG 44 -8.766 -9.546 -1.103 305 HE ARG 44 HE ARG 44 -7.013 -8.291 -3.024 306 HH11 ARG 44 2HH1 ARG 44 -8.844 -11.131 -2.188 307 HH12 ARG 44 1HH1 ARG 44 -8.957 -11.699 -3.822 308 HH21 ARG 44 2HH2 ARG 44 -7.154 -9.028 -5.178 309 HH22 ARG 44 1HH2 ARG 44 -7.994 -10.502 -5.521 310 H ALA 45 H ALA 45 -8.751 -5.246 -1.054 311 HA ALA 45 HA ALA 45 -9.617 -3.528 0.822 312 HB1 ALA 45 1HB ALA 45 -11.331 -5.927 0.493 313 HB2 ALA 45 2HB ALA 45 -11.737 -4.216 0.364 314 HB3 ALA 45 3HB ALA 45 -10.896 -5.024 -0.959 315 H ALA 46 H ALA 46 -9.165 -3.411 2.919 316 HA ALA 46 HA ALA 46 -8.221 -5.364 4.586 317 HB1 ALA 46 1HB ALA 46 -8.068 -3.532 5.834 318 HB2 ALA 46 2HB ALA 46 -9.329 -2.720 4.905 319 HB3 ALA 46 3HB ALA 46 -9.764 -3.761 6.260 320 H GLY 47 H GLY 47 -9.041 -7.258 5.173 321 HA2 GLY 47 1HA GLY 47 -11.016 -8.015 6.671 322 HA3 GLY 47 2HA GLY 47 -11.964 -7.570 5.259 323 H THR 48 H THR 48 -11.262 -8.646 3.181 324 HA THR 48 HA THR 48 -11.624 -11.339 3.247 325 HB THR 48 HB THR 48 -9.895 -9.896 1.227 326 HG1 THR 48 1HG THR 48 -12.307 -9.338 1.753 327 HG21 THR 48 1HG2 THR 48 -11.516 -12.079 0.240 328 HG22 THR 48 2HG2 THR 48 -10.406 -12.624 1.498 329 HG23 THR 48 3HG2 THR 48 -9.784 -11.801 0.068 330 H GLU 49 H GLU 49 -10.384 -13.175 3.376 331 HA GLU 49 HA GLU 49 -7.649 -12.786 4.382 332 HB2 GLU 49 1HB GLU 49 -9.322 -15.278 4.668 333 HB3 GLU 49 2HB GLU 49 -7.867 -14.848 5.555 334 HG2 GLU 49 1HG GLU 49 -10.219 -13.052 5.770 335 HG3 GLU 49 2HG GLU 49 -10.265 -14.600 6.612 336 H GLY 50 H GLY 50 -8.165 -12.701 1.592 337 HA2 GLY 50 1HA GLY 50 -7.028 -15.268 0.681 338 HA3 GLY 50 2HA GLY 50 -7.960 -14.174 -0.331 339 HA PRO 51 HA PRO 51 -3.518 -13.435 -1.305 340 HB2 PRO 51 1HB PRO 51 -3.925 -13.160 -3.975 341 HB3 PRO 51 2HB PRO 51 -3.689 -14.729 -3.195 342 HG2 PRO 51 1HG PRO 51 -6.234 -13.396 -4.037 343 HG3 PRO 51 2HG PRO 51 -5.745 -15.090 -4.220 344 HD2 PRO 51 1HD PRO 51 -7.418 -14.260 -2.259 345 HD3 PRO 51 2HD PRO 51 -6.290 -15.613 -2.042 346 H PHE 52 H PHE 52 -2.608 -11.461 -1.396 347 HA PHE 52 HA PHE 52 -4.380 -9.168 -1.835 348 HB2 PHE 52 1HB PHE 52 -1.761 -9.501 -0.389 349 HB3 PHE 52 2HB PHE 52 -2.379 -7.908 -0.811 350 HD1 PHE 52 2HD PHE 52 -3.959 -11.008 0.539 351 HD2 PHE 52 1HD PHE 52 -3.216 -6.847 1.037 352 HE1 PHE 52 2HE PHE 52 -5.339 -11.009 2.576 353 HE2 PHE 52 1HE PHE 52 -4.594 -6.841 3.075 354 HZ PHE 52 HZ PHE 52 -5.658 -8.924 3.847 355 H GLN 53 H GLN 53 -3.805 -7.457 -3.203 356 HA GLN 53 HA GLN 53 -2.890 -7.986 -5.689 357 HB2 GLN 53 1HB GLN 53 -2.559 -5.413 -4.142 358 HB3 GLN 53 2HB GLN 53 -2.306 -5.555 -5.876 359 HG2 GLN 53 1HG GLN 53 -4.746 -6.570 -5.780 360 HG3 GLN 53 2HG GLN 53 -4.823 -5.596 -4.313 361 HE21 GLN 53 1HE2 GLN 53 -3.904 -5.393 -7.726 362 HE22 GLN 53 2HE2 GLN 53 -4.448 -3.770 -7.956 363 H GLU 54 H GLU 54 -0.896 -7.341 -6.828 364 HA GLU 54 HA GLU 54 1.517 -7.488 -5.169 365 HB2 GLU 54 1HB GLU 54 0.803 -9.763 -6.133 366 HB3 GLU 54 2HB GLU 54 1.271 -9.105 -7.695 367 HG2 GLU 54 1HG GLU 54 3.530 -8.848 -7.001 368 HG3 GLU 54 2HG GLU 54 3.119 -9.223 -5.328 369 H VAL 55 H VAL 55 2.982 -6.017 -5.731 370 HA VAL 55 HA VAL 55 2.964 -4.973 -8.481 371 HB VAL 55 HB VAL 55 3.197 -3.288 -5.983 372 HG11 VAL 55 1HG1 VAL 55 4.595 -2.297 -7.591 373 HG12 VAL 55 2HG1 VAL 55 3.466 -2.637 -8.904 374 HG13 VAL 55 3HG1 VAL 55 3.075 -1.411 -7.698 375 HG21 VAL 55 1HG2 VAL 55 0.908 -3.987 -6.381 376 HG22 VAL 55 2HG2 VAL 55 1.090 -2.272 -6.751 377 HG23 VAL 55 3HG2 VAL 55 1.013 -3.453 -8.059 378 H ASP 56 H ASP 56 4.894 -5.133 -9.396 379 HA ASP 56 HA ASP 56 7.280 -5.109 -7.665 380 HB2 ASP 56 1HB ASP 56 8.298 -6.796 -8.952 381 HB3 ASP 56 2HB ASP 56 6.636 -7.345 -8.751 382 H GLY 57 H GLY 57 9.040 -3.932 -8.334 383 HA2 GLY 57 1HA GLY 57 10.245 -2.885 -10.214 384 HA3 GLY 57 2HA GLY 57 8.677 -2.368 -10.816 385 H VAL 58 H VAL 58 9.818 -2.262 -7.474 386 HA VAL 58 HA VAL 58 9.629 0.678 -7.598 387 HB VAL 58 HB VAL 58 9.156 -1.015 -5.145 388 HG11 VAL 58 1HG1 VAL 58 8.836 0.896 -4.009 389 HG12 VAL 58 2HG1 VAL 58 9.769 1.629 -5.316 390 HG13 VAL 58 3HG1 VAL 58 8.006 1.675 -5.356 391 HG21 VAL 58 1HG2 VAL 58 7.127 -1.500 -5.902 392 HG22 VAL 58 2HG2 VAL 58 6.766 0.223 -6.007 393 HG23 VAL 58 3HG2 VAL 58 7.450 -0.621 -7.397 394 H ALA 59 H ALA 59 11.833 0.954 -8.058 395 HA ALA 59 HA ALA 59 13.820 -0.146 -6.259 396 HB1 ALA 59 1HB ALA 59 13.808 0.918 -8.908 397 HB2 ALA 59 2HB ALA 59 14.991 1.794 -7.937 398 HB3 ALA 59 3HB ALA 59 15.086 0.038 -8.070 399 H THR 60 H THR 60 11.745 1.846 -5.366 400 HA THR 60 HA THR 60 13.621 3.790 -4.194 401 HB THR 60 HB THR 60 11.584 5.363 -4.111 402 HG1 THR 60 1HG THR 60 10.765 3.709 -6.282 403 HG21 THR 60 1HG2 THR 60 13.247 6.140 -5.494 404 HG22 THR 60 2HG2 THR 60 11.959 5.877 -6.670 405 HG23 THR 60 3HG2 THR 60 13.247 4.685 -6.490 406 H THR 61 H THR 61 12.766 4.778 -2.159 407 HA THR 61 HA THR 61 11.734 2.671 -0.456 408 HB THR 61 HB THR 61 12.154 4.312 1.393 409 HG1 THR 61 1HG THR 61 13.234 6.227 0.865 410 HG21 THR 61 1HG2 THR 61 14.381 3.784 1.501 411 HG22 THR 61 2HG2 THR 61 14.671 4.186 -0.192 412 HG23 THR 61 3HG2 THR 61 13.877 2.670 0.232 413 H ARG 62 H ARG 62 10.544 5.439 -2.080 414 HA ARG 62 HA ARG 62 8.093 5.391 -0.446 415 HB2 ARG 62 1HB ARG 62 9.523 7.551 -0.681 416 HB3 ARG 62 2HB ARG 62 8.816 7.647 -2.288 417 HG2 ARG 62 1HG ARG 62 6.675 7.991 -1.465 418 HG3 ARG 62 2HG ARG 62 7.076 7.337 0.124 419 HD2 ARG 62 1HD ARG 62 7.983 9.961 -1.049 420 HD3 ARG 62 2HD ARG 62 6.859 9.727 0.290 421 HE ARG 62 HE ARG 62 9.286 8.501 0.948 422 HH11 ARG 62 2HH1 ARG 62 7.979 11.684 0.415 423 HH12 ARG 62 1HH1 ARG 62 9.095 12.464 1.487 424 HH21 ARG 62 2HH2 ARG 62 10.760 9.516 2.363 425 HH22 ARG 62 1HH2 ARG 62 10.676 11.230 2.594 426 H TYR 63 H TYR 63 6.169 4.988 -1.404 427 HA TYR 63 HA TYR 63 5.904 5.064 -4.291 428 HB2 TYR 63 1HB TYR 63 6.831 2.821 -3.886 429 HB3 TYR 63 2HB TYR 63 5.524 2.483 -2.756 430 HD1 TYR 63 2HD TYR 63 3.233 2.140 -3.574 431 HD2 TYR 63 1HD TYR 63 6.472 2.750 -6.265 432 HE1 TYR 63 2HE TYR 63 1.850 1.290 -5.422 433 HE2 TYR 63 1HE TYR 63 5.098 1.903 -8.120 434 HH TYR 63 HH TYR 63 1.855 0.610 -7.564 435 H SER 64 H SER 64 3.798 5.268 -4.979 436 HA SER 64 HA SER 64 1.790 5.530 -2.840 437 HB2 SER 64 1HB SER 64 0.661 7.170 -4.281 438 HB3 SER 64 2HB SER 64 2.326 7.654 -3.961 439 HG SER 64 HG SER 64 1.910 6.098 -6.219 440 H ILE 65 H ILE 65 -0.029 4.357 -2.940 441 HA ILE 65 HA ILE 65 -0.324 2.503 -5.180 442 HB ILE 65 HB ILE 65 -1.712 2.565 -2.498 443 HG12 ILE 65 1HG1 ILE 65 -0.336 0.311 -2.403 444 HG13 ILE 65 2HG1 ILE 65 0.678 1.132 -3.584 445 HG21 ILE 65 1HG2 ILE 65 -2.426 0.242 -3.166 446 HG22 ILE 65 2HG2 ILE 65 -3.207 1.561 -4.036 447 HG23 ILE 65 3HG2 ILE 65 -1.912 0.644 -4.804 448 HD11 ILE 65 1HD1 ILE 65 1.580 2.470 -2.045 449 HD12 ILE 65 2HD1 ILE 65 0.035 2.752 -1.243 450 HD13 ILE 65 3HD1 ILE 65 0.960 1.294 -0.887 451 H GLY 66 H GLY 66 -2.073 2.443 -6.517 452 HA2 GLY 66 1HA GLY 66 -4.219 4.405 -6.028 453 HA3 GLY 66 2HA GLY 66 -3.420 4.332 -7.591 454 H GLY 67 H GLY 67 -6.075 4.066 -7.622 455 HA2 GLY 67 1HA GLY 67 -7.528 2.650 -8.780 456 HA3 GLY 67 2HA GLY 67 -6.392 1.330 -8.545 457 H LEU 68 H LEU 68 -7.488 3.328 -5.900 458 HA LEU 68 HA LEU 68 -8.904 0.991 -4.812 459 HB2 LEU 68 1HB LEU 68 -7.857 3.377 -3.303 460 HB3 LEU 68 2HB LEU 68 -8.484 1.877 -2.623 461 HG LEU 68 HG LEU 68 -5.964 2.055 -4.269 462 HD11 LEU 68 1HD1 LEU 68 -5.207 3.158 -2.445 463 HD12 LEU 68 2HD1 LEU 68 -5.080 1.520 -1.805 464 HD13 LEU 68 3HD1 LEU 68 -6.472 2.521 -1.394 465 HD21 LEU 68 1HD2 LEU 68 -7.530 -0.114 -3.104 466 HD22 LEU 68 2HD2 LEU 68 -5.828 -0.147 -2.641 467 HD23 LEU 68 3HD2 LEU 68 -6.278 -0.156 -4.347 468 H SER 69 H SER 69 -10.625 1.742 -3.112 469 HA SER 69 HA SER 69 -12.411 3.580 -4.536 470 HB2 SER 69 1HB SER 69 -12.888 1.353 -2.566 471 HB3 SER 69 2HB SER 69 -14.140 2.543 -2.922 472 HG SER 69 HG SER 69 -14.433 1.673 -4.825 473 HA PRO 70 HA PRO 70 -12.091 6.704 -1.463 474 HB2 PRO 70 1HB PRO 70 -14.552 7.833 -1.669 475 HB3 PRO 70 2HB PRO 70 -13.294 8.041 -2.893 476 HG2 PRO 70 1HG PRO 70 -15.635 6.174 -2.880 477 HG3 PRO 70 2HG PRO 70 -14.999 7.162 -4.208 478 HD2 PRO 70 1HD PRO 70 -14.474 4.515 -3.980 479 HD3 PRO 70 2HD PRO 70 -13.316 5.661 -4.686 480 H PHE 71 H PHE 71 -12.462 6.976 0.682 481 HA PHE 71 HA PHE 71 -13.145 6.494 2.798 482 HB2 PHE 71 1HB PHE 71 -15.271 7.488 1.701 483 HB3 PHE 71 2HB PHE 71 -15.862 5.830 1.698 484 HD1 PHE 71 2HD PHE 71 -13.971 7.878 4.179 485 HD2 PHE 71 1HD PHE 71 -17.421 5.529 3.348 486 HE1 PHE 71 2HE PHE 71 -14.707 8.143 6.511 487 HE2 PHE 71 1HE PHE 71 -18.164 5.790 5.679 488 HZ PHE 71 HZ PHE 71 -16.806 7.097 7.265 489 H SER 72 H SER 72 -11.798 4.442 1.736 490 HA SER 72 HA SER 72 -13.240 2.100 2.773 491 HB2 SER 72 1HB SER 72 -12.289 0.701 1.003 492 HB3 SER 72 2HB SER 72 -13.248 2.005 0.303 493 HG SER 72 HG SER 72 -11.181 3.148 0.100 494 H GLU 73 H GLU 73 -11.755 0.299 3.358 495 HA GLU 73 HA GLU 73 -9.231 1.380 4.423 496 HB2 GLU 73 1HB GLU 73 -11.194 0.474 5.943 497 HB3 GLU 73 2HB GLU 73 -10.489 -1.086 5.542 498 HG2 GLU 73 1HG GLU 73 -8.421 -0.510 6.538 499 HG3 GLU 73 2HG GLU 73 -8.891 1.182 6.692 500 H TYR 74 H TYR 74 -7.353 0.413 3.917 501 HA TYR 74 HA TYR 74 -7.386 -2.255 2.719 502 HB2 TYR 74 1HB TYR 74 -6.453 0.262 1.389 503 HB3 TYR 74 2HB TYR 74 -5.653 -1.262 1.022 504 HD1 TYR 74 1HD TYR 74 -8.788 0.630 0.753 505 HD2 TYR 74 2HD TYR 74 -6.775 -2.982 -0.246 506 HE1 TYR 74 1HE TYR 74 -10.556 0.102 -0.873 507 HE2 TYR 74 2HE TYR 74 -8.536 -3.520 -1.876 508 HH TYR 74 HH TYR 74 -10.516 -2.936 -2.707 509 H ALA 75 H ALA 75 -5.508 -3.429 3.007 510 HA ALA 75 HA ALA 75 -3.653 -2.314 4.980 511 HB1 ALA 75 1HB ALA 75 -4.511 -5.068 4.247 512 HB2 ALA 75 2HB ALA 75 -2.916 -4.841 4.964 513 HB3 ALA 75 3HB ALA 75 -4.357 -4.316 5.835 514 H PHE 76 H PHE 76 -1.531 -2.000 4.589 515 HA PHE 76 HA PHE 76 -0.535 -2.727 1.912 516 HB2 PHE 76 1HB PHE 76 0.218 -0.349 3.624 517 HB3 PHE 76 2HB PHE 76 0.941 -0.748 2.069 518 HD1 PHE 76 1HD PHE 76 -0.674 -0.907 0.057 519 HD2 PHE 76 2HD PHE 76 -1.618 1.049 3.718 520 HE1 PHE 76 1HE PHE 76 -2.424 0.388 -1.090 521 HE2 PHE 76 2HE PHE 76 -3.370 2.346 2.577 522 HZ PHE 76 HZ PHE 76 -3.776 2.015 0.171 523 H ARG 77 H ARG 77 1.597 -3.456 1.716 524 HA ARG 77 HA ARG 77 3.270 -3.771 4.036 525 HB2 ARG 77 1HB ARG 77 3.365 -6.237 3.918 526 HB3 ARG 77 2HB ARG 77 1.776 -5.650 4.388 527 HG2 ARG 77 1HG ARG 77 1.008 -5.967 2.064 528 HG3 ARG 77 2HG ARG 77 2.588 -6.648 1.667 529 HD2 ARG 77 1HD ARG 77 1.318 -8.538 2.082 530 HD3 ARG 77 2HD ARG 77 2.111 -8.263 3.633 531 HE ARG 77 HE ARG 77 -0.346 -6.928 3.650 532 HH11 ARG 77 2HH1 ARG 77 0.907 -10.175 3.585 533 HH12 ARG 77 1HH1 ARG 77 -0.458 -10.858 4.403 534 HH21 ARG 77 2HH2 ARG 77 -2.150 -7.815 4.728 535 HH22 ARG 77 1HH2 ARG 77 -2.197 -9.515 5.052 536 H VAL 78 H VAL 78 5.226 -3.321 3.292 537 HA VAL 78 HA VAL 78 5.889 -4.011 0.514 538 HB VAL 78 HB VAL 78 7.377 -2.118 2.333 539 HG11 VAL 78 1HG1 VAL 78 7.954 -1.296 -0.138 540 HG12 VAL 78 2HG1 VAL 78 8.896 -2.533 0.697 541 HG13 VAL 78 3HG1 VAL 78 7.667 -3.002 -0.478 542 HG21 VAL 78 1HG2 VAL 78 5.290 -1.094 2.099 543 HG22 VAL 78 2HG2 VAL 78 6.263 -0.370 0.819 544 HG23 VAL 78 3HG2 VAL 78 5.105 -1.642 0.432 545 H LEU 79 H LEU 79 7.848 -5.029 0.004 546 HA LEU 79 HA LEU 79 9.504 -6.035 2.175 547 HB2 LEU 79 1HB LEU 79 9.357 -8.358 1.262 548 HB3 LEU 79 2HB LEU 79 7.904 -7.776 2.072 549 HG LEU 79 HG LEU 79 8.210 -7.741 -0.921 550 HD11 LEU 79 1HD1 LEU 79 6.563 -9.797 -0.539 551 HD12 LEU 79 2HD1 LEU 79 7.561 -9.980 0.902 552 HD13 LEU 79 3HD1 LEU 79 8.308 -9.993 -0.695 553 HD21 LEU 79 1HD2 LEU 79 5.556 -8.100 -0.064 554 HD22 LEU 79 2HD2 LEU 79 6.268 -6.673 -0.818 555 HD23 LEU 79 3HD2 LEU 79 6.239 -6.821 0.940 556 H ALA 80 H ALA 80 11.525 -6.927 1.450 557 HA ALA 80 HA ALA 80 12.426 -5.682 -1.021 558 HB1 ALA 80 1HB ALA 80 13.591 -6.128 1.486 559 HB2 ALA 80 2HB ALA 80 14.486 -7.139 0.350 560 HB3 ALA 80 3HB ALA 80 14.342 -5.405 0.063 561 H VAL 81 H VAL 81 13.594 -6.810 -2.643 562 HA VAL 81 HA VAL 81 13.411 -9.729 -2.625 563 HB VAL 81 HB VAL 81 12.448 -8.139 -4.999 564 HG11 VAL 81 1HG1 VAL 81 12.935 -10.163 -5.895 565 HG12 VAL 81 2HG1 VAL 81 12.786 -11.006 -4.352 566 HG13 VAL 81 3HG1 VAL 81 11.340 -10.559 -5.257 567 HG21 VAL 81 1HG2 VAL 81 10.165 -8.967 -4.296 568 HG22 VAL 81 2HG2 VAL 81 10.881 -9.341 -2.728 569 HG23 VAL 81 3HG2 VAL 81 10.855 -7.677 -3.310 570 H ASN 82 H ASN 82 15.015 -10.749 -3.750 571 HA ASN 82 HA ASN 82 16.791 -9.149 -5.434 572 HB2 ASN 82 1HB ASN 82 18.788 -9.929 -4.291 573 HB3 ASN 82 2HB ASN 82 17.739 -9.106 -3.141 574 HD21 ASN 82 1HD2 ASN 82 18.719 -10.172 -1.415 575 HD22 ASN 82 2HD2 ASN 82 18.399 -11.834 -1.071 576 H SER 83 H SER 83 18.679 -10.828 -6.146 577 HA SER 83 HA SER 83 17.499 -12.582 -7.939 578 HB2 SER 83 1HB SER 83 20.292 -12.599 -6.777 579 HB3 SER 83 2HB SER 83 19.789 -13.603 -8.136 580 HG SER 83 HG SER 83 20.018 -10.796 -7.992 581 H ILE 84 H ILE 84 18.350 -13.050 -4.604 582 HA ILE 84 HA ILE 84 18.244 -15.905 -4.637 583 HB ILE 84 HB ILE 84 17.822 -14.163 -2.217 584 HG12 ILE 84 1HG1 ILE 84 19.828 -13.408 -3.465 585 HG13 ILE 84 2HG1 ILE 84 20.233 -14.121 -1.907 586 HG21 ILE 84 1HG2 ILE 84 17.597 -16.201 -1.317 587 HG22 ILE 84 2HG2 ILE 84 18.302 -17.003 -2.720 588 HG23 ILE 84 3HG2 ILE 84 19.349 -16.304 -1.485 589 HD11 ILE 84 1HD1 ILE 84 20.689 -15.190 -4.652 590 HD12 ILE 84 2HD1 ILE 84 21.815 -15.036 -3.303 591 HD13 ILE 84 3HD1 ILE 84 20.576 -16.291 -3.279 592 H GLY 85 H GLY 85 16.027 -13.438 -3.310 593 HA2 GLY 85 1HA GLY 85 13.669 -14.443 -4.316 594 HA3 GLY 85 2HA GLY 85 13.945 -15.335 -2.827 595 H ARG 86 H ARG 86 11.702 -13.850 -3.001 596 HA ARG 86 HA ARG 86 12.141 -11.223 -1.877 597 HB2 ARG 86 1HB ARG 86 9.660 -11.119 -1.803 598 HB3 ARG 86 2HB ARG 86 10.291 -11.494 -3.401 599 HG2 ARG 86 1HG ARG 86 9.724 -13.814 -3.139 600 HG3 ARG 86 2HG ARG 86 9.237 -13.543 -1.465 601 HD2 ARG 86 1HD ARG 86 7.932 -11.938 -3.604 602 HD3 ARG 86 2HD ARG 86 7.469 -13.630 -3.424 603 HE ARG 86 HE ARG 86 6.707 -11.481 -1.743 604 HH11 ARG 86 2HH1 ARG 86 7.588 -14.848 -1.677 605 HH12 ARG 86 1HH1 ARG 86 6.682 -15.192 -0.241 606 HH21 ARG 86 2HH2 ARG 86 5.509 -11.920 0.148 607 HH22 ARG 86 1HH2 ARG 86 5.499 -13.526 0.796 608 H GLY 87 H GLY 87 12.368 -10.803 0.216 609 HA2 GLY 87 1HA GLY 87 12.197 -12.861 2.182 610 HA3 GLY 87 2HA GLY 87 12.506 -11.158 2.487 611 HA PRO 88 HA PRO 88 8.285 -12.331 4.116 612 HB2 PRO 88 1HB PRO 88 8.719 -11.444 6.645 613 HB3 PRO 88 2HB PRO 88 9.114 -13.086 6.121 614 HG2 PRO 88 1HG PRO 88 10.910 -10.710 6.422 615 HG3 PRO 88 2HG PRO 88 11.196 -12.395 6.895 616 HD2 PRO 88 1HD PRO 88 12.224 -11.322 4.631 617 HD3 PRO 88 2HD PRO 88 11.760 -13.031 4.752 618 HA PRO 89 HA PRO 89 6.747 -8.232 3.638 619 HB2 PRO 89 1HB PRO 89 4.399 -8.438 4.985 620 HB3 PRO 89 2HB PRO 89 4.668 -9.183 3.405 621 HG2 PRO 89 1HG PRO 89 4.786 -10.422 6.127 622 HG3 PRO 89 2HG PRO 89 4.063 -11.059 4.638 623 HD2 PRO 89 1HD PRO 89 6.490 -11.855 5.535 624 HD3 PRO 89 2HD PRO 89 6.092 -11.769 3.807 625 H SER 90 H SER 90 6.511 -6.269 4.715 626 HA SER 90 HA SER 90 7.740 -6.150 7.320 627 HB2 SER 90 1HB SER 90 8.425 -4.438 5.833 628 HB3 SER 90 2HB SER 90 6.763 -4.058 5.379 629 HG SER 90 HG SER 90 8.137 -3.452 7.764 630 H GLU 91 H GLU 91 6.702 -4.404 8.858 631 HA GLU 91 HA GLU 91 4.490 -5.507 10.062 632 HB2 GLU 91 1HB GLU 91 5.661 -2.746 10.136 633 HB3 GLU 91 2HB GLU 91 4.182 -3.101 11.017 634 HG2 GLU 91 1HG GLU 91 5.265 -4.688 12.389 635 HG3 GLU 91 2HG GLU 91 6.698 -4.702 11.363 636 H ALA 92 H ALA 92 2.762 -5.987 8.783 637 HA ALA 92 HA ALA 92 1.636 -4.528 6.748 638 HB1 ALA 92 1HB ALA 92 0.495 -6.477 8.704 639 HB2 ALA 92 2HB ALA 92 -0.564 -5.659 7.555 640 HB3 ALA 92 3HB ALA 92 0.769 -6.655 6.971 641 H VAL 93 H VAL 93 0.678 -2.613 6.618 642 HA VAL 93 HA VAL 93 -0.408 -1.416 9.082 643 HB VAL 93 HB VAL 93 -0.043 0.783 7.990 644 HG11 VAL 93 1HG1 VAL 93 1.754 -0.787 9.313 645 HG12 VAL 93 2HG1 VAL 93 2.655 -0.346 7.861 646 HG13 VAL 93 3HG1 VAL 93 1.998 0.912 8.909 647 HG21 VAL 93 1HG2 VAL 93 0.882 1.053 5.921 648 HG22 VAL 93 2HG2 VAL 93 1.768 -0.470 5.994 649 HG23 VAL 93 3HG2 VAL 93 0.037 -0.472 5.659 650 H ARG 94 H ARG 94 -2.244 0.057 8.794 651 HA ARG 94 HA ARG 94 -3.914 -0.617 6.468 652 HB2 ARG 94 1HB ARG 94 -4.620 -0.750 9.384 653 HB3 ARG 94 2HB ARG 94 -5.865 -0.459 8.176 654 HG2 ARG 94 1HG ARG 94 -4.842 -2.582 7.043 655 HG3 ARG 94 2HG ARG 94 -4.233 -2.899 8.669 656 HD2 ARG 94 1HD ARG 94 -6.332 -3.200 9.544 657 HD3 ARG 94 2HD ARG 94 -7.098 -2.165 8.340 658 HE ARG 94 HE ARG 94 -6.316 -4.227 6.839 659 HH11 ARG 94 2HH1 ARG 94 -7.952 -4.123 9.910 660 HH12 ARG 94 1HH1 ARG 94 -8.813 -5.603 9.649 661 HH21 ARG 94 2HH2 ARG 94 -7.444 -6.177 6.483 662 HH22 ARG 94 1HH2 ARG 94 -8.523 -6.771 7.699 663 H ALA 95 H ALA 95 -4.478 1.152 5.403 664 HA ALA 95 HA ALA 95 -4.872 3.649 6.918 665 HB1 ALA 95 1HB ALA 95 -2.742 3.553 5.550 666 HB2 ALA 95 2HB ALA 95 -3.775 3.562 4.120 667 HB3 ALA 95 3HB ALA 95 -3.810 4.923 5.242 668 H ARG 96 H ARG 96 -6.835 4.489 6.703 669 HA ARG 96 HA ARG 96 -8.645 3.407 4.707 670 HB2 ARG 96 1HB ARG 96 -9.150 3.900 7.220 671 HB3 ARG 96 2HB ARG 96 -9.385 5.553 6.666 672 HG2 ARG 96 1HG ARG 96 -11.118 4.809 5.130 673 HG3 ARG 96 2HG ARG 96 -10.865 3.139 5.641 674 HD2 ARG 96 1HD ARG 96 -12.725 3.846 6.870 675 HD3 ARG 96 2HD ARG 96 -11.378 3.974 8.001 676 HE ARG 96 HE ARG 96 -11.643 6.444 6.760 677 HH11 ARG 96 2HH1 ARG 96 -13.509 4.375 8.848 678 HH12 ARG 96 1HH1 ARG 96 -14.350 5.683 9.610 679 HH21 ARG 96 2HH2 ARG 96 -12.744 8.175 7.757 680 HH22 ARG 96 1HH2 ARG 96 -13.915 7.845 8.988 681 H THR 97 H THR 97 -8.987 4.336 2.809 682 HA THR 97 HA THR 97 -7.780 6.760 2.029 683 HB THR 97 HB THR 97 -8.914 6.520 -0.069 684 HG1 THR 97 1HG THR 97 -10.692 5.184 -0.318 685 HG21 THR 97 1HG2 THR 97 -7.686 4.213 1.234 686 HG22 THR 97 2HG2 THR 97 -7.395 4.896 -0.366 687 HG23 THR 97 3HG2 THR 97 -8.733 3.775 -0.115 688 H GLY 98 H GLY 98 -8.813 8.726 1.312 689 HA2 GLY 98 1HA GLY 98 -10.757 9.661 3.207 690 HA3 GLY 98 2HA GLY 98 -10.038 10.594 1.902 691 H GLU 99 H GLU 99 -12.656 10.979 2.450 692 HA GLU 99 HA GLU 99 -14.115 9.436 0.417 693 HB2 GLU 99 1HB GLU 99 -16.160 10.233 1.503 694 HB3 GLU 99 2HB GLU 99 -15.116 9.404 2.648 695 HG2 GLU 99 1HG GLU 99 -15.692 11.201 3.902 696 HG3 GLU 99 2HG GLU 99 -14.259 11.853 3.110 697 H GLN 100 H GLN 100 -12.269 11.546 -0.264 698 HA GLN 100 HA GLN 100 -13.500 14.000 -0.776 699 HB2 GLN 100 1HB GLN 100 -11.013 13.243 -1.023 700 HB3 GLN 100 2HB GLN 100 -11.485 12.842 -2.670 701 HG2 GLN 100 1HG GLN 100 -10.518 15.030 -2.639 702 HG3 GLN 100 2HG GLN 100 -12.242 15.168 -2.983 703 HE21 GLN 100 1HE2 GLN 100 -12.240 17.324 -2.305 704 HE22 GLN 100 2HE2 GLN 100 -12.175 17.751 -0.633 705 H SER 101 H SER 101 -13.095 11.208 -2.954 706 HA SER 101 HA SER 101 -14.447 12.219 -5.152 707 HB2 SER 101 1HB SER 101 -13.139 10.110 -5.152 708 HB3 SER 101 2HB SER 101 -14.421 9.337 -4.220 709 HG SER 101 HG SER 101 -15.767 10.193 -6.121 710 H GLY 102 H GLY 102 -15.741 10.383 -2.398 711 HA2 GLY 102 1HA GLY 102 -17.894 10.070 -1.661 712 HA3 GLY 102 2HA GLY 102 -18.156 11.716 -2.217 713 HA PRO 103 HA PRO 103 -19.403 8.710 -5.825 714 HB2 PRO 103 1HB PRO 103 -19.821 6.131 -5.088 715 HB3 PRO 103 2HB PRO 103 -18.259 6.724 -5.665 716 HG2 PRO 103 1HG PRO 103 -19.191 6.263 -2.857 717 HG3 PRO 103 2HG PRO 103 -17.629 5.866 -3.597 718 HD2 PRO 103 1HD PRO 103 -17.989 8.048 -2.035 719 HD3 PRO 103 2HD PRO 103 -16.841 8.022 -3.389 720 H SER 104 H SER 104 -20.600 7.745 -2.613 721 HA SER 104 HA SER 104 -23.278 8.603 -3.385 722 HB2 SER 104 1HB SER 104 -22.995 6.104 -3.863 723 HB3 SER 104 2HB SER 104 -22.893 5.892 -2.115 724 HG SER 104 HG SER 104 -25.053 7.051 -3.549 725 H SER 105 H SER 105 -24.790 8.370 -1.407 726 HA SER 105 HA SER 105 -23.300 8.932 1.067 727 HB2 SER 105 1HB SER 105 -24.115 11.036 -0.075 728 HB3 SER 105 2HB SER 105 -25.760 10.464 0.203 729 HG SER 105 HG SER 105 -25.197 11.790 1.901 730 H GLY 106 H GLY 106 -23.833 7.435 2.507 731 HA2 GLY 106 1HA GLY 106 -25.096 6.044 3.828 732 HA3 GLY 106 2HA GLY 106 -26.484 7.026 3.383 Start of MODEL 2 1 H1 GLY 1 H GLY 1 8.624 -24.296 9.977 2 HA2 GLY 1 1HA GLY 1 10.877 -24.240 11.587 3 HA3 GLY 1 2HA GLY 1 10.824 -24.955 9.983 4 H SER 2 H SER 2 11.165 -21.818 11.620 5 HA SER 2 HA SER 2 12.322 -20.532 9.355 6 HB2 SER 2 1HB SER 2 11.159 -19.262 11.109 7 HB3 SER 2 2HB SER 2 12.389 -19.741 12.279 8 HG SER 2 HG SER 2 13.789 -18.387 11.393 9 H SER 3 H SER 3 14.245 -21.037 8.559 10 HA SER 3 HA SER 3 16.249 -22.393 10.068 11 HB2 SER 3 1HB SER 3 15.866 -22.609 7.572 12 HB3 SER 3 2HB SER 3 16.624 -21.026 7.399 13 HG SER 3 HG SER 3 17.770 -23.454 7.792 14 H GLY 4 H GLY 4 15.955 -19.094 8.777 15 HA2 GLY 4 1HA GLY 4 17.021 -17.689 10.834 16 HA3 GLY 4 2HA GLY 4 18.445 -18.267 9.982 17 H SER 5 H SER 5 19.252 -16.521 8.996 18 HA SER 5 HA SER 5 17.752 -14.348 8.038 19 HB2 SER 5 1HB SER 5 19.816 -13.627 6.944 20 HB3 SER 5 2HB SER 5 20.167 -14.226 8.566 21 HG SER 5 HG SER 5 20.888 -16.154 7.655 22 H SER 6 H SER 6 16.053 -15.451 6.862 23 HA SER 6 HA SER 6 16.734 -16.780 4.386 24 HB2 SER 6 1HB SER 6 14.735 -17.322 5.925 25 HB3 SER 6 2HB SER 6 13.962 -15.916 5.192 26 HG SER 6 HG SER 6 15.100 -17.914 3.571 27 H GLY 7 H GLY 7 17.431 -15.566 2.746 28 HA2 GLY 7 1HA GLY 7 17.485 -13.941 1.126 29 HA3 GLY 7 2HA GLY 7 15.771 -13.716 1.442 30 HA PRO 8 HA PRO 8 17.854 -9.767 2.564 31 HB2 PRO 8 1HB PRO 8 15.886 -8.192 1.557 32 HB3 PRO 8 2HB PRO 8 17.205 -8.830 0.569 33 HG2 PRO 8 1HG PRO 8 14.400 -9.833 0.861 34 HG3 PRO 8 2HG PRO 8 15.379 -9.660 -0.607 35 HD2 PRO 8 1HD PRO 8 15.035 -12.038 0.642 36 HD3 PRO 8 2HD PRO 8 16.528 -11.621 -0.224 37 H LYS 9 H LYS 9 16.741 -7.808 3.689 38 HA LYS 9 HA LYS 9 15.008 -8.909 5.787 39 HB2 LYS 9 1HB LYS 9 16.956 -6.625 5.704 40 HB3 LYS 9 2HB LYS 9 15.713 -6.693 6.946 41 HG2 LYS 9 1HG LYS 9 17.687 -7.630 7.864 42 HG3 LYS 9 2HG LYS 9 16.569 -8.962 7.560 43 HD2 LYS 9 1HD LYS 9 17.771 -9.672 5.661 44 HD3 LYS 9 2HD LYS 9 18.685 -8.164 5.578 45 HE2 LYS 9 1HE LYS 9 19.818 -8.733 7.665 46 HE3 LYS 9 2HE LYS 9 18.890 -10.228 7.770 47 HZ1 LYS 9 1HZ LYS 9 20.921 -9.509 5.732 48 HZ2 LYS 9 2HZ LYS 9 19.901 -10.851 5.592 49 HZ3 LYS 9 3HZ LYS 9 21.003 -10.757 6.873 50 HA PRO 10 HA PRO 10 11.556 -6.531 4.460 51 HB2 PRO 10 1HB PRO 10 10.255 -6.243 6.826 52 HB3 PRO 10 2HB PRO 10 10.311 -7.772 5.940 53 HG2 PRO 10 1HG PRO 10 11.953 -6.874 8.277 54 HG3 PRO 10 2HG PRO 10 11.199 -8.451 7.979 55 HD2 PRO 10 1HD PRO 10 13.831 -7.989 7.542 56 HD3 PRO 10 2HD PRO 10 12.887 -9.133 6.565 57 HA PRO 11 HA PRO 11 12.502 -2.277 5.145 58 HB2 PRO 11 1HB PRO 11 10.138 -1.176 4.391 59 HB3 PRO 11 2HB PRO 11 11.293 -1.854 3.238 60 HG2 PRO 11 1HG PRO 11 8.813 -3.083 4.379 61 HG3 PRO 11 2HG PRO 11 9.408 -3.109 2.709 62 HD2 PRO 11 1HD PRO 11 9.725 -5.199 4.401 63 HD3 PRO 11 2HD PRO 11 10.908 -4.806 3.136 64 H ILE 12 H ILE 12 12.186 -0.628 6.627 65 HA ILE 12 HA ILE 12 10.212 -1.178 8.747 66 HB ILE 12 HB ILE 12 11.726 -0.118 10.341 67 HG12 ILE 12 1HG1 ILE 12 13.700 0.021 8.053 68 HG13 ILE 12 2HG1 ILE 12 12.834 1.403 8.716 69 HG21 ILE 12 1HG2 ILE 12 13.620 -2.011 9.176 70 HG22 ILE 12 2HG2 ILE 12 12.784 -2.051 10.728 71 HG23 ILE 12 3HG2 ILE 12 11.970 -2.624 9.272 72 HD11 ILE 12 1HD1 ILE 12 14.547 1.679 10.089 73 HD12 ILE 12 2HD1 ILE 12 14.034 0.207 10.913 74 HD13 ILE 12 3HD1 ILE 12 15.245 0.125 9.634 75 H ASP 13 H ASP 13 10.061 0.999 10.159 76 HA ASP 13 HA ASP 13 9.086 3.053 10.265 77 HB2 ASP 13 1HB ASP 13 11.192 3.380 8.168 78 HB3 ASP 13 2HB ASP 13 10.053 4.696 8.438 79 H LEU 14 H LEU 14 7.617 1.111 8.885 80 HA LEU 14 HA LEU 14 6.601 2.190 6.430 81 HB2 LEU 14 1HB LEU 14 6.650 -0.274 7.339 82 HB3 LEU 14 2HB LEU 14 5.102 0.184 8.046 83 HG LEU 14 HG LEU 14 4.287 0.746 5.768 84 HD11 LEU 14 1HD1 LEU 14 5.990 1.175 4.341 85 HD12 LEU 14 2HD1 LEU 14 5.818 -0.547 4.000 86 HD13 LEU 14 3HD1 LEU 14 7.073 0.011 5.106 87 HD21 LEU 14 1HD2 LEU 14 3.470 -1.299 6.263 88 HD22 LEU 14 2HD2 LEU 14 5.052 -1.949 6.693 89 HD23 LEU 14 3HD2 LEU 14 4.586 -1.812 4.997 90 H VAL 15 H VAL 15 5.615 4.124 6.589 91 HA VAL 15 HA VAL 15 3.167 4.248 8.174 92 HB VAL 15 HB VAL 15 4.895 6.675 8.255 93 HG11 VAL 15 1HG1 VAL 15 3.021 7.262 9.338 94 HG12 VAL 15 2HG1 VAL 15 2.544 5.587 9.626 95 HG13 VAL 15 3HG1 VAL 15 3.715 6.368 10.690 96 HG21 VAL 15 1HG2 VAL 15 5.324 4.194 9.893 97 HG22 VAL 15 2HG2 VAL 15 6.513 5.149 9.007 98 HG23 VAL 15 3HG2 VAL 15 5.786 5.791 10.480 99 H VAL 16 H VAL 16 1.649 5.779 7.424 100 HA VAL 16 HA VAL 16 2.004 6.462 4.613 101 HB VAL 16 HB VAL 16 -0.444 6.626 6.376 102 HG11 VAL 16 1HG1 VAL 16 0.111 7.566 3.645 103 HG12 VAL 16 2HG1 VAL 16 -1.378 6.640 3.838 104 HG13 VAL 16 3HG1 VAL 16 -1.110 8.093 4.802 105 HG21 VAL 16 1HG2 VAL 16 -0.522 4.422 6.049 106 HG22 VAL 16 2HG2 VAL 16 -0.878 4.779 4.359 107 HG23 VAL 16 3HG2 VAL 16 0.784 4.475 4.865 108 H THR 17 H THR 17 2.368 8.458 3.887 109 HA THR 17 HA THR 17 2.346 10.660 5.828 110 HB THR 17 HB THR 17 4.451 10.115 4.509 111 HG1 THR 17 1HG THR 17 4.717 12.464 4.000 112 HG21 THR 17 1HG2 THR 17 3.543 9.684 2.336 113 HG22 THR 17 2HG2 THR 17 4.518 11.150 2.224 114 HG23 THR 17 3HG2 THR 17 2.759 11.263 2.291 115 H GLU 18 H GLU 18 0.906 9.554 2.864 116 HA GLU 18 HA GLU 18 -0.919 11.841 2.939 117 HB2 GLU 18 1HB GLU 18 0.727 10.974 0.575 118 HB3 GLU 18 2HB GLU 18 -0.795 11.830 0.364 119 HG2 GLU 18 1HG GLU 18 0.041 13.728 1.571 120 HG3 GLU 18 2HG GLU 18 1.524 12.866 1.975 121 H THR 19 H THR 19 -2.995 11.396 2.278 122 HA THR 19 HA THR 19 -3.571 8.723 1.228 123 HB THR 19 HB THR 19 -5.630 8.874 2.915 124 HG1 THR 19 1HG THR 19 -5.183 10.616 4.119 125 HG21 THR 19 1HG2 THR 19 -3.250 7.404 2.751 126 HG22 THR 19 2HG2 THR 19 -4.701 6.990 3.664 127 HG23 THR 19 3HG2 THR 19 -3.395 7.886 4.440 128 H THR 20 H THR 20 -4.715 9.012 -0.560 129 HA THR 20 HA THR 20 -6.482 11.348 -0.767 130 HB THR 20 HB THR 20 -5.922 9.637 -3.138 131 HG1 THR 20 1HG THR 20 -4.035 11.434 -1.978 132 HG21 THR 20 1HG2 THR 20 -6.901 12.285 -2.554 133 HG22 THR 20 2HG2 THR 20 -6.953 11.382 -4.068 134 HG23 THR 20 3HG2 THR 20 -5.539 12.358 -3.671 135 H ALA 21 H ALA 21 -8.438 10.918 -2.259 136 HA ALA 21 HA ALA 21 -10.115 9.046 -0.968 137 HB1 ALA 21 1HB ALA 21 -11.491 9.644 -3.222 138 HB2 ALA 21 2HB ALA 21 -11.450 10.661 -1.782 139 HB3 ALA 21 3HB ALA 21 -10.378 11.009 -3.138 140 H THR 22 H THR 22 -8.342 8.982 -4.010 141 HA THR 22 HA THR 22 -9.076 6.141 -4.295 142 HB THR 22 HB THR 22 -9.102 6.321 -6.675 143 HG1 THR 22 1HG THR 22 -7.895 7.798 -7.574 144 HG21 THR 22 1HG2 THR 22 -11.230 6.919 -6.135 145 HG22 THR 22 2HG2 THR 22 -10.729 8.437 -6.881 146 HG23 THR 22 3HG2 THR 22 -10.711 8.269 -5.126 147 H SER 23 H SER 23 -6.707 7.761 -3.166 148 HA SER 23 HA SER 23 -4.669 6.010 -4.272 149 HB2 SER 23 1HB SER 23 -3.975 8.923 -4.094 150 HB3 SER 23 2HB SER 23 -3.202 7.649 -5.036 151 HG SER 23 HG SER 23 -4.755 7.791 -6.539 152 H VAL 24 H VAL 24 -2.637 6.110 -3.005 153 HA VAL 24 HA VAL 24 -2.779 7.344 -0.389 154 HB VAL 24 HB VAL 24 -2.469 4.350 -0.503 155 HG11 VAL 24 1HG1 VAL 24 -3.444 5.311 1.973 156 HG12 VAL 24 2HG1 VAL 24 -1.872 4.590 1.621 157 HG13 VAL 24 3HG1 VAL 24 -2.089 6.337 1.502 158 HG21 VAL 24 1HG2 VAL 24 -4.964 5.950 0.054 159 HG22 VAL 24 2HG2 VAL 24 -4.704 4.820 -1.275 160 HG23 VAL 24 3HG2 VAL 24 -4.782 4.227 0.383 161 H THR 25 H THR 25 -0.788 7.511 0.624 162 HA THR 25 HA THR 25 1.512 6.695 -1.025 163 HB THR 25 HB THR 25 1.417 8.926 1.014 164 HG1 THR 25 1HG THR 25 0.119 9.294 -0.906 165 HG21 THR 25 1HG2 THR 25 3.650 7.991 0.662 166 HG22 THR 25 2HG2 THR 25 3.534 9.615 -0.016 167 HG23 THR 25 3HG2 THR 25 3.474 8.209 -1.079 168 H LEU 26 H LEU 26 3.247 5.661 -0.104 169 HA LEU 26 HA LEU 26 3.023 4.959 2.746 170 HB2 LEU 26 1HB LEU 26 2.342 3.152 1.037 171 HB3 LEU 26 2HB LEU 26 4.068 3.036 0.698 172 HG LEU 26 HG LEU 26 4.399 2.531 3.146 173 HD11 LEU 26 1HD1 LEU 26 1.450 1.962 3.150 174 HD12 LEU 26 2HD1 LEU 26 2.126 3.469 3.768 175 HD13 LEU 26 3HD1 LEU 26 2.577 1.932 4.506 176 HD21 LEU 26 1HD2 LEU 26 4.046 0.248 2.845 177 HD22 LEU 26 2HD2 LEU 26 4.222 0.863 1.201 178 HD23 LEU 26 3HD2 LEU 26 2.618 0.503 1.842 179 H THR 27 H THR 27 4.854 5.114 3.907 180 HA THR 27 HA THR 27 7.366 5.597 2.441 181 HB THR 27 HB THR 27 8.058 7.169 4.153 182 HG1 THR 27 1HG THR 27 6.828 7.586 5.926 183 HG21 THR 27 1HG2 THR 27 6.064 8.847 3.893 184 HG22 THR 27 2HG2 THR 27 5.435 7.621 2.793 185 HG23 THR 27 3HG2 THR 27 7.003 8.364 2.482 186 H TRP 28 H TRP 28 9.135 4.494 3.086 187 HA TRP 28 HA TRP 28 9.265 3.246 5.688 188 HB2 TRP 28 1HB TRP 28 9.441 0.972 4.921 189 HB3 TRP 28 2HB TRP 28 7.936 1.643 4.298 190 HD1 TRP 28 HD TRP 28 11.469 0.661 3.116 191 HE1 TRP 28 1HE TRP 28 11.383 0.242 0.578 192 HE3 TRP 28 3HE TRP 28 6.658 2.135 2.212 193 HZ2 TRP 28 2HZ TRP 28 9.523 0.504 -1.529 194 HZ3 TRP 28 3HZ TRP 28 5.802 2.020 -0.092 195 HH2 TRP 28 HH TRP 28 7.207 1.222 -1.922 196 H ASP 29 H ASP 29 11.334 1.654 5.571 197 HA ASP 29 HA ASP 29 13.451 3.179 4.199 198 HB2 ASP 29 1HB ASP 29 13.394 3.495 6.689 199 HB3 ASP 29 2HB ASP 29 13.720 1.772 6.862 200 H SER 30 H SER 30 15.290 2.001 3.494 201 HA SER 30 HA SER 30 14.850 -0.300 2.110 202 HB2 SER 30 1HB SER 30 17.346 -0.669 2.221 203 HB3 SER 30 2HB SER 30 16.859 0.950 1.718 204 HG SER 30 HG SER 30 17.220 1.625 3.890 205 H GLY 31 H GLY 31 15.997 -0.045 5.453 206 HA2 GLY 31 1HA GLY 31 15.727 -1.561 7.184 207 HA3 GLY 31 2HA GLY 31 14.915 -2.644 6.063 208 H ASN 32 H ASN 32 16.779 -3.109 4.154 209 HA ASN 32 HA ASN 32 18.710 -4.714 5.625 210 HB2 ASN 32 1HB ASN 32 19.209 -5.391 3.090 211 HB3 ASN 32 2HB ASN 32 17.861 -6.076 3.993 212 HD21 ASN 32 1HD2 ASN 32 15.812 -5.648 3.371 213 HD22 ASN 32 2HD2 ASN 32 15.400 -4.705 1.983 214 H SER 33 H SER 33 20.964 -4.829 4.870 215 HA SER 33 HA SER 33 22.010 -2.144 4.474 216 HB2 SER 33 1HB SER 33 23.256 -4.775 5.254 217 HB3 SER 33 2HB SER 33 24.242 -3.373 4.837 218 HG SER 33 HG SER 33 23.664 -3.689 7.138 219 H GLU 34 H GLU 34 22.443 -5.360 3.001 220 HA GLU 34 HA GLU 34 24.003 -4.454 0.830 221 HB2 GLU 34 1HB GLU 34 22.482 -6.949 1.447 222 HB3 GLU 34 2HB GLU 34 23.045 -6.691 -0.198 223 HG2 GLU 34 1HG GLU 34 24.809 -6.643 2.238 224 HG3 GLU 34 2HG GLU 34 24.586 -8.038 1.184 225 HA PRO 35 HA PRO 35 21.001 -2.603 -1.803 226 HB2 PRO 35 1HB PRO 35 22.278 -2.891 -4.181 227 HB3 PRO 35 2HB PRO 35 22.780 -1.719 -2.957 228 HG2 PRO 35 1HG PRO 35 23.904 -4.427 -3.560 229 HG3 PRO 35 2HG PRO 35 24.759 -2.914 -3.210 230 HD2 PRO 35 1HD PRO 35 24.400 -4.848 -1.350 231 HD3 PRO 35 2HD PRO 35 24.458 -3.123 -0.935 232 H VAL 36 H VAL 36 19.216 -3.942 -1.777 233 HA VAL 36 HA VAL 36 19.154 -6.488 -3.067 234 HB VAL 36 HB VAL 36 16.728 -6.422 -2.666 235 HG11 VAL 36 1HG1 VAL 36 17.319 -7.199 -0.672 236 HG12 VAL 36 2HG1 VAL 36 18.791 -6.225 -0.684 237 HG13 VAL 36 3HG1 VAL 36 17.288 -5.545 -0.059 238 HG21 VAL 36 1HG2 VAL 36 16.038 -4.236 -3.013 239 HG22 VAL 36 2HG2 VAL 36 15.953 -4.389 -1.258 240 HG23 VAL 36 3HG2 VAL 36 17.320 -3.563 -2.006 241 H THR 37 H THR 37 17.542 -6.999 -4.794 242 HA THR 37 HA THR 37 18.093 -5.490 -7.116 243 HB THR 37 HB THR 37 15.905 -7.543 -6.741 244 HG1 THR 37 1HG THR 37 17.493 -9.016 -7.473 245 HG21 THR 37 1HG2 THR 37 16.255 -7.894 -9.189 246 HG22 THR 37 2HG2 THR 37 17.297 -6.471 -9.195 247 HG23 THR 37 3HG2 THR 37 15.590 -6.313 -8.781 248 H TYR 38 H TYR 38 14.921 -6.099 -5.594 249 HA TYR 38 HA TYR 38 14.167 -3.328 -5.943 250 HB2 TYR 38 1HB TYR 38 12.333 -3.672 -7.408 251 HB3 TYR 38 2HB TYR 38 13.696 -4.502 -8.149 252 HD1 TYR 38 1HD TYR 38 10.470 -4.923 -6.464 253 HD2 TYR 38 2HD TYR 38 13.750 -6.924 -8.291 254 HE1 TYR 38 1HE TYR 38 9.146 -6.994 -6.560 255 HE2 TYR 38 2HE TYR 38 12.435 -9.000 -8.393 256 HH TYR 38 HH TYR 38 9.064 -9.096 -7.289 257 H TYR 39 H TYR 39 11.585 -3.293 -5.437 258 HA TYR 39 HA TYR 39 11.155 -5.017 -3.091 259 HB2 TYR 39 1HB TYR 39 10.761 -2.029 -3.281 260 HB3 TYR 39 2HB TYR 39 10.071 -3.012 -1.994 261 HD1 TYR 39 1HD TYR 39 13.383 -2.432 -3.635 262 HD2 TYR 39 2HD TYR 39 11.255 -3.155 -0.022 263 HE1 TYR 39 1HE TYR 39 15.481 -2.230 -2.366 264 HE2 TYR 39 2HE TYR 39 13.347 -2.954 1.257 265 HH TYR 39 HH TYR 39 15.732 -1.620 0.686 266 H GLY 40 H GLY 40 9.117 -5.794 -2.816 267 HA2 GLY 40 1HA GLY 40 7.197 -5.146 -4.953 268 HA3 GLY 40 2HA GLY 40 7.229 -6.645 -4.036 269 H ILE 41 H ILE 41 4.918 -5.086 -4.432 270 HA ILE 41 HA ILE 41 4.342 -4.342 -1.647 271 HB ILE 41 HB ILE 41 3.354 -2.822 -4.063 272 HG12 ILE 41 1HG1 ILE 41 5.323 -2.014 -1.911 273 HG13 ILE 41 2HG1 ILE 41 5.729 -2.390 -3.582 274 HG21 ILE 41 1HG2 ILE 41 2.976 -2.213 -1.136 275 HG22 ILE 41 2HG2 ILE 41 2.297 -1.333 -2.505 276 HG23 ILE 41 3HG2 ILE 41 1.763 -2.978 -2.162 277 HD11 ILE 41 1HD1 ILE 41 4.989 0.093 -2.467 278 HD12 ILE 41 2HD1 ILE 41 5.381 -0.286 -4.145 279 HD13 ILE 41 3HD1 ILE 41 3.713 -0.393 -3.582 280 H GLN 42 H GLN 42 2.330 -4.900 -0.889 281 HA GLN 42 HA GLN 42 0.448 -6.146 -2.757 282 HB2 GLN 42 1HB GLN 42 1.797 -7.450 -0.433 283 HB3 GLN 42 2HB GLN 42 0.131 -7.885 -0.793 284 HG2 GLN 42 1HG GLN 42 0.686 -8.775 -2.875 285 HG3 GLN 42 2HG GLN 42 2.248 -7.957 -2.908 286 HE21 GLN 42 1HE2 GLN 42 3.900 -8.712 -1.467 287 HE22 GLN 42 2HE2 GLN 42 3.911 -10.361 -0.955 288 H TYR 43 H TYR 43 -1.592 -5.546 -2.399 289 HA TYR 43 HA TYR 43 -2.429 -4.736 0.277 290 HB2 TYR 43 1HB TYR 43 -3.453 -2.651 -0.602 291 HB3 TYR 43 2HB TYR 43 -1.696 -2.644 -0.700 292 HD1 TYR 43 1HD TYR 43 -0.593 -3.042 -2.916 293 HD2 TYR 43 2HD TYR 43 -4.788 -2.436 -2.547 294 HE1 TYR 43 1HE TYR 43 -0.723 -2.523 -5.317 295 HE2 TYR 43 2HE TYR 43 -4.931 -1.917 -4.947 296 HH TYR 43 HH TYR 43 -2.194 -2.336 -7.083 297 H ARG 44 H ARG 44 -4.625 -4.950 0.658 298 HA ARG 44 HA ARG 44 -6.393 -5.696 -1.523 299 HB2 ARG 44 1HB ARG 44 -5.370 -7.831 -0.888 300 HB3 ARG 44 2HB ARG 44 -5.837 -7.565 0.787 301 HG2 ARG 44 1HG ARG 44 -7.518 -8.947 0.126 302 HG3 ARG 44 2HG ARG 44 -8.244 -7.388 -0.271 303 HD2 ARG 44 1HD ARG 44 -7.040 -7.797 -2.577 304 HD3 ARG 44 2HD ARG 44 -7.125 -9.483 -2.068 305 HE ARG 44 HE ARG 44 -9.647 -8.696 -1.703 306 HH11 ARG 44 2HH1 ARG 44 -7.468 -8.229 -4.378 307 HH12 ARG 44 1HH1 ARG 44 -8.728 -8.195 -5.567 308 HH21 ARG 44 2HH2 ARG 44 -11.314 -8.652 -3.259 309 HH22 ARG 44 1HH2 ARG 44 -10.915 -8.435 -4.930 310 H ALA 45 H ALA 45 -8.593 -5.507 -1.017 311 HA ALA 45 HA ALA 45 -9.309 -3.509 0.770 312 HB1 ALA 45 1HB ALA 45 -11.661 -4.430 0.463 313 HB2 ALA 45 2HB ALA 45 -10.793 -3.952 -0.996 314 HB3 ALA 45 3HB ALA 45 -10.926 -5.658 -0.568 315 H ALA 46 H ALA 46 -9.057 -3.567 2.906 316 HA ALA 46 HA ALA 46 -8.806 -5.825 4.503 317 HB1 ALA 46 1HB ALA 46 -9.001 -4.378 6.386 318 HB2 ALA 46 2HB ALA 46 -8.168 -3.483 5.115 319 HB3 ALA 46 3HB ALA 46 -9.873 -3.170 5.442 320 H GLY 47 H GLY 47 -10.263 -7.394 4.742 321 HA2 GLY 47 1HA GLY 47 -12.450 -7.568 6.145 322 HA3 GLY 47 2HA GLY 47 -13.116 -6.701 4.769 323 H THR 48 H THR 48 -12.325 -7.808 2.587 324 HA THR 48 HA THR 48 -13.491 -10.435 2.643 325 HB THR 48 HB THR 48 -13.688 -8.618 0.782 326 HG1 THR 48 1HG THR 48 -13.183 -11.154 -0.301 327 HG21 THR 48 1HG2 THR 48 -12.078 -8.525 -0.865 328 HG22 THR 48 2HG2 THR 48 -11.433 -10.119 -0.473 329 HG23 THR 48 3HG2 THR 48 -11.073 -8.742 0.567 330 H GLU 49 H GLU 49 -12.440 -12.261 1.440 331 HA GLU 49 HA GLU 49 -9.571 -12.378 2.103 332 HB2 GLU 49 1HB GLU 49 -11.286 -13.871 3.360 333 HB3 GLU 49 2HB GLU 49 -11.321 -14.807 1.872 334 HG2 GLU 49 1HG GLU 49 -8.782 -14.924 2.090 335 HG3 GLU 49 2HG GLU 49 -9.024 -14.357 3.742 336 H GLY 50 H GLY 50 -9.923 -11.307 -0.256 337 HA2 GLY 50 1HA GLY 50 -9.901 -13.449 -2.267 338 HA3 GLY 50 2HA GLY 50 -10.097 -11.734 -2.598 339 HA PRO 51 HA PRO 51 -5.695 -13.050 -3.477 340 HB2 PRO 51 1HB PRO 51 -5.657 -12.173 -6.046 341 HB3 PRO 51 2HB PRO 51 -6.185 -13.798 -5.594 342 HG2 PRO 51 1HG PRO 51 -7.831 -11.375 -6.211 343 HG3 PRO 51 2HG PRO 51 -8.079 -13.056 -6.720 344 HD2 PRO 51 1HD PRO 51 -9.453 -11.936 -4.673 345 HD3 PRO 51 2HD PRO 51 -9.025 -13.658 -4.706 346 H PHE 52 H PHE 52 -4.374 -11.607 -2.573 347 HA PHE 52 HA PHE 52 -4.868 -8.808 -2.576 348 HB2 PHE 52 1HB PHE 52 -2.565 -10.520 -1.674 349 HB3 PHE 52 2HB PHE 52 -2.459 -8.763 -1.635 350 HD1 PHE 52 2HD PHE 52 -5.151 -11.200 -0.768 351 HD2 PHE 52 1HD PHE 52 -2.669 -7.986 0.508 352 HE1 PHE 52 2HE PHE 52 -6.297 -11.183 1.408 353 HE2 PHE 52 1HE PHE 52 -3.811 -7.965 2.687 354 HZ PHE 52 HZ PHE 52 -5.629 -9.564 3.140 355 H GLN 53 H GLN 53 -3.895 -7.163 -3.704 356 HA GLN 53 HA GLN 53 -3.095 -7.656 -6.341 357 HB2 GLN 53 1HB GLN 53 -2.890 -5.244 -4.557 358 HB3 GLN 53 2HB GLN 53 -2.257 -5.221 -6.198 359 HG2 GLN 53 1HG GLN 53 -5.097 -5.536 -5.297 360 HG3 GLN 53 2HG GLN 53 -4.401 -4.296 -6.338 361 HE21 GLN 53 1HE2 GLN 53 -5.309 -7.676 -6.137 362 HE22 GLN 53 2HE2 GLN 53 -5.467 -7.931 -7.838 363 H GLU 54 H GLU 54 -0.965 -6.707 -7.234 364 HA GLU 54 HA GLU 54 1.328 -7.196 -5.510 365 HB2 GLU 54 1HB GLU 54 0.947 -9.407 -6.366 366 HB3 GLU 54 2HB GLU 54 0.754 -8.797 -8.004 367 HG2 GLU 54 1HG GLU 54 3.325 -8.279 -6.615 368 HG3 GLU 54 2HG GLU 54 2.996 -9.915 -7.185 369 H VAL 55 H VAL 55 3.109 -6.035 -6.076 370 HA VAL 55 HA VAL 55 3.127 -4.671 -8.671 371 HB VAL 55 HB VAL 55 3.523 -3.267 -6.026 372 HG11 VAL 55 1HG1 VAL 55 5.051 -2.419 -7.712 373 HG12 VAL 55 2HG1 VAL 55 3.715 -2.217 -8.848 374 HG13 VAL 55 3HG1 VAL 55 3.785 -1.236 -7.383 375 HG21 VAL 55 1HG2 VAL 55 1.516 -2.233 -7.872 376 HG22 VAL 55 2HG2 VAL 55 1.157 -3.859 -7.291 377 HG23 VAL 55 3HG2 VAL 55 1.407 -2.546 -6.139 378 H ASP 56 H ASP 56 5.036 -4.876 -9.625 379 HA ASP 56 HA ASP 56 7.414 -5.298 -7.935 380 HB2 ASP 56 1HB ASP 56 8.317 -6.710 -9.777 381 HB3 ASP 56 2HB ASP 56 6.866 -7.380 -9.037 382 H GLY 57 H GLY 57 9.288 -4.237 -8.489 383 HA2 GLY 57 1HA GLY 57 10.641 -3.042 -10.102 384 HA3 GLY 57 2HA GLY 57 9.156 -2.454 -10.835 385 H VAL 58 H VAL 58 9.990 -2.539 -7.399 386 HA VAL 58 HA VAL 58 9.739 0.397 -7.365 387 HB VAL 58 HB VAL 58 9.348 -1.461 -5.019 388 HG11 VAL 58 1HG1 VAL 58 9.215 0.389 -3.800 389 HG12 VAL 58 2HG1 VAL 58 9.648 1.336 -5.225 390 HG13 VAL 58 3HG1 VAL 58 7.952 1.025 -4.854 391 HG21 VAL 58 1HG2 VAL 58 6.876 -0.747 -5.438 392 HG22 VAL 58 2HG2 VAL 58 7.429 -0.490 -7.093 393 HG23 VAL 58 3HG2 VAL 58 7.571 -2.085 -6.354 394 H ALA 59 H ALA 59 11.927 0.807 -7.799 395 HA ALA 59 HA ALA 59 13.934 -0.259 -5.980 396 HB1 ALA 59 1HB ALA 59 15.483 0.278 -7.538 397 HB2 ALA 59 2HB ALA 59 14.077 0.256 -8.603 398 HB3 ALA 59 3HB ALA 59 14.683 1.788 -7.974 399 H THR 60 H THR 60 11.858 1.576 -5.003 400 HA THR 60 HA THR 60 13.643 3.653 -3.930 401 HB THR 60 HB THR 60 11.592 5.169 -3.858 402 HG1 THR 60 1HG THR 60 10.280 3.167 -4.593 403 HG21 THR 60 1HG2 THR 60 12.112 4.812 -6.718 404 HG22 THR 60 2HG2 THR 60 13.571 4.875 -5.728 405 HG23 THR 60 3HG2 THR 60 12.411 6.203 -5.677 406 H THR 61 H THR 61 12.474 4.761 -1.984 407 HA THR 61 HA THR 61 11.622 2.592 -0.214 408 HB THR 61 HB THR 61 12.206 3.997 1.631 409 HG1 THR 61 1HG THR 61 12.726 6.101 -0.217 410 HG21 THR 61 1HG2 THR 61 14.424 4.760 -0.182 411 HG22 THR 61 2HG2 THR 61 14.035 3.043 -0.069 412 HG23 THR 61 3HG2 THR 61 14.468 3.947 1.381 413 H ARG 62 H ARG 62 10.325 5.183 -1.964 414 HA ARG 62 HA ARG 62 7.888 5.138 -0.307 415 HB2 ARG 62 1HB ARG 62 9.162 7.330 -0.371 416 HB3 ARG 62 2HB ARG 62 8.749 7.423 -2.078 417 HG2 ARG 62 1HG ARG 62 6.371 7.399 -1.501 418 HG3 ARG 62 2HG ARG 62 6.795 7.325 0.210 419 HD2 ARG 62 1HD ARG 62 6.494 9.576 -0.007 420 HD3 ARG 62 2HD ARG 62 8.207 9.469 -0.414 421 HE ARG 62 HE ARG 62 6.931 9.204 -2.807 422 HH11 ARG 62 2HH1 ARG 62 6.877 11.566 -0.249 423 HH12 ARG 62 1HH1 ARG 62 6.515 12.892 -1.304 424 HH21 ARG 62 2HH2 ARG 62 6.455 10.942 -4.206 425 HH22 ARG 62 1HH2 ARG 62 6.275 12.535 -3.555 426 H TYR 63 H TYR 63 5.940 4.859 -1.319 427 HA TYR 63 HA TYR 63 5.752 4.885 -4.205 428 HB2 TYR 63 1HB TYR 63 6.643 2.636 -3.775 429 HB3 TYR 63 2HB TYR 63 5.317 2.318 -2.663 430 HD1 TYR 63 2HD TYR 63 2.962 2.252 -3.577 431 HD2 TYR 63 1HD TYR 63 6.392 2.291 -6.093 432 HE1 TYR 63 2HE TYR 63 1.598 1.403 -5.439 433 HE2 TYR 63 1HE TYR 63 5.038 1.444 -7.963 434 HH TYR 63 HH TYR 63 2.791 1.278 -8.682 435 H SER 64 H SER 64 3.704 5.254 -4.911 436 HA SER 64 HA SER 64 1.628 5.462 -2.832 437 HB2 SER 64 1HB SER 64 0.579 7.172 -4.257 438 HB3 SER 64 2HB SER 64 2.241 7.610 -3.859 439 HG SER 64 HG SER 64 1.799 6.158 -6.201 440 H ILE 65 H ILE 65 -0.259 4.402 -3.058 441 HA ILE 65 HA ILE 65 -0.514 2.613 -5.361 442 HB ILE 65 HB ILE 65 -2.009 2.600 -2.737 443 HG12 ILE 65 1HG1 ILE 65 -0.627 0.346 -2.637 444 HG13 ILE 65 2HG1 ILE 65 0.447 1.215 -3.728 445 HG21 ILE 65 1HG2 ILE 65 -2.652 1.404 -5.207 446 HG22 ILE 65 2HG2 ILE 65 -2.085 0.117 -4.144 447 HG23 ILE 65 3HG2 ILE 65 -3.423 1.149 -3.642 448 HD11 ILE 65 1HD1 ILE 65 0.724 2.975 -2.085 449 HD12 ILE 65 2HD1 ILE 65 -0.400 2.156 -0.999 450 HD13 ILE 65 3HD1 ILE 65 1.146 1.406 -1.399 451 H GLY 66 H GLY 66 -2.200 2.677 -6.766 452 HA2 GLY 66 1HA GLY 66 -4.315 4.671 -6.253 453 HA3 GLY 66 2HA GLY 66 -3.482 4.618 -7.799 454 H GLY 67 H GLY 67 -6.280 4.365 -7.480 455 HA2 GLY 67 1HA GLY 67 -7.744 3.063 -8.810 456 HA3 GLY 67 2HA GLY 67 -6.622 1.716 -8.682 457 H LEU 68 H LEU 68 -7.642 3.583 -5.908 458 HA LEU 68 HA LEU 68 -9.025 1.193 -4.898 459 HB2 LEU 68 1HB LEU 68 -8.046 3.527 -3.275 460 HB3 LEU 68 2HB LEU 68 -8.544 1.939 -2.696 461 HG LEU 68 HG LEU 68 -6.077 2.470 -4.350 462 HD11 LEU 68 1HD1 LEU 68 -6.420 3.226 -1.765 463 HD12 LEU 68 2HD1 LEU 68 -4.874 2.779 -2.485 464 HD13 LEU 68 3HD1 LEU 68 -5.797 1.588 -1.569 465 HD21 LEU 68 1HD2 LEU 68 -7.490 0.071 -3.571 466 HD22 LEU 68 2HD2 LEU 68 -5.838 0.081 -2.953 467 HD23 LEU 68 3HD2 LEU 68 -6.134 0.271 -4.682 468 H SER 69 H SER 69 -10.759 1.804 -3.193 469 HA SER 69 HA SER 69 -12.571 3.704 -4.494 470 HB2 SER 69 1HB SER 69 -12.969 1.303 -2.745 471 HB3 SER 69 2HB SER 69 -14.231 2.533 -2.826 472 HG SER 69 HG SER 69 -14.805 1.609 -4.613 473 HA PRO 70 HA PRO 70 -12.185 6.651 -1.251 474 HB2 PRO 70 1HB PRO 70 -14.578 7.906 -1.511 475 HB3 PRO 70 2HB PRO 70 -13.252 8.119 -2.660 476 HG2 PRO 70 1HG PRO 70 -15.672 6.369 -2.864 477 HG3 PRO 70 2HG PRO 70 -14.926 7.395 -4.103 478 HD2 PRO 70 1HD PRO 70 -14.533 4.718 -3.998 479 HD3 PRO 70 2HD PRO 70 -13.290 5.843 -4.582 480 H PHE 71 H PHE 71 -12.511 6.615 0.890 481 HA PHE 71 HA PHE 71 -13.431 6.208 2.935 482 HB2 PHE 71 1HB PHE 71 -15.548 7.051 1.597 483 HB3 PHE 71 2HB PHE 71 -16.042 5.368 1.748 484 HD1 PHE 71 2HD PHE 71 -14.690 8.129 3.862 485 HD2 PHE 71 1HD PHE 71 -17.300 4.780 3.572 486 HE1 PHE 71 2HE PHE 71 -15.518 8.582 6.134 487 HE2 PHE 71 1HE PHE 71 -18.133 5.228 5.843 488 HZ PHE 71 HZ PHE 71 -17.241 7.130 7.128 489 H SER 72 H SER 72 -11.936 4.235 1.812 490 HA SER 72 HA SER 72 -13.298 1.809 2.765 491 HB2 SER 72 1HB SER 72 -12.321 0.491 0.996 492 HB3 SER 72 2HB SER 72 -13.160 1.856 0.259 493 HG SER 72 HG SER 72 -11.191 2.868 -0.050 494 H GLU 73 H GLU 73 -11.679 0.030 3.244 495 HA GLU 73 HA GLU 73 -9.251 1.204 4.432 496 HB2 GLU 73 1HB GLU 73 -11.139 0.357 5.985 497 HB3 GLU 73 2HB GLU 73 -10.607 -1.250 5.512 498 HG2 GLU 73 1HG GLU 73 -9.375 -0.979 7.397 499 HG3 GLU 73 2HG GLU 73 -8.252 -0.310 6.214 500 H TYR 74 H TYR 74 -7.360 0.356 3.838 501 HA TYR 74 HA TYR 74 -7.311 -2.336 2.666 502 HB2 TYR 74 1HB TYR 74 -6.333 0.216 1.430 503 HB3 TYR 74 2HB TYR 74 -5.531 -1.305 1.052 504 HD1 TYR 74 1HD TYR 74 -8.641 0.619 0.724 505 HD2 TYR 74 2HD TYR 74 -6.624 -2.987 -0.292 506 HE1 TYR 74 1HE TYR 74 -10.357 0.143 -0.973 507 HE2 TYR 74 2HE TYR 74 -8.334 -3.472 -1.992 508 HH TYR 74 HH TYR 74 -10.419 -2.905 -2.719 509 H ALA 75 H ALA 75 -5.353 -3.454 2.886 510 HA ALA 75 HA ALA 75 -3.586 -2.355 4.961 511 HB1 ALA 75 1HB ALA 75 -3.049 -4.584 5.578 512 HB2 ALA 75 2HB ALA 75 -4.802 -4.510 5.392 513 HB3 ALA 75 3HB ALA 75 -3.811 -5.238 4.127 514 H PHE 76 H PHE 76 -1.641 -1.676 4.372 515 HA PHE 76 HA PHE 76 -0.527 -2.616 1.822 516 HB2 PHE 76 1HB PHE 76 0.246 -0.184 3.447 517 HB3 PHE 76 2HB PHE 76 0.843 -0.599 1.844 518 HD1 PHE 76 1HD PHE 76 -0.751 -0.589 -0.087 519 HD2 PHE 76 2HD PHE 76 -1.767 0.989 3.733 520 HE1 PHE 76 1HE PHE 76 -2.601 0.674 -1.105 521 HE2 PHE 76 2HE PHE 76 -3.618 2.254 2.722 522 HZ PHE 76 HZ PHE 76 -4.038 2.097 0.300 523 H ARG 77 H ARG 77 1.461 -3.555 1.696 524 HA ARG 77 HA ARG 77 3.194 -3.655 4.019 525 HB2 ARG 77 1HB ARG 77 3.283 -6.115 4.059 526 HB3 ARG 77 2HB ARG 77 1.683 -5.510 4.464 527 HG2 ARG 77 1HG ARG 77 1.004 -5.946 2.102 528 HG3 ARG 77 2HG ARG 77 2.568 -6.727 1.860 529 HD2 ARG 77 1HD ARG 77 2.067 -8.414 3.456 530 HD3 ARG 77 2HD ARG 77 0.640 -7.546 4.020 531 HE ARG 77 HE ARG 77 0.506 -8.245 1.244 532 HH11 ARG 77 2HH1 ARG 77 -0.018 -9.386 4.491 533 HH12 ARG 77 1HH1 ARG 77 -1.189 -10.574 4.024 534 HH21 ARG 77 2HH2 ARG 77 -1.035 -9.805 0.616 535 HH22 ARG 77 1HH2 ARG 77 -1.766 -10.812 1.819 536 H VAL 78 H VAL 78 5.162 -3.282 3.265 537 HA VAL 78 HA VAL 78 5.804 -4.044 0.505 538 HB VAL 78 HB VAL 78 7.331 -2.198 2.345 539 HG11 VAL 78 1HG1 VAL 78 8.824 -3.013 0.719 540 HG12 VAL 78 2HG1 VAL 78 7.612 -2.916 -0.560 541 HG13 VAL 78 3HG1 VAL 78 8.299 -1.440 0.120 542 HG21 VAL 78 1HG2 VAL 78 5.986 -0.515 1.777 543 HG22 VAL 78 2HG2 VAL 78 6.030 -0.962 0.071 544 HG23 VAL 78 3HG2 VAL 78 4.869 -1.730 1.155 545 H LEU 79 H LEU 79 7.859 -5.002 0.020 546 HA LEU 79 HA LEU 79 9.389 -6.154 2.196 547 HB2 LEU 79 1HB LEU 79 9.165 -8.446 1.374 548 HB3 LEU 79 2HB LEU 79 7.627 -7.788 1.931 549 HG LEU 79 HG LEU 79 8.256 -7.656 -0.977 550 HD11 LEU 79 1HD1 LEU 79 7.629 -9.878 -1.403 551 HD12 LEU 79 2HD1 LEU 79 7.109 -10.140 0.261 552 HD13 LEU 79 3HD1 LEU 79 8.825 -9.976 -0.111 553 HD21 LEU 79 1HD2 LEU 79 5.691 -8.416 -0.742 554 HD22 LEU 79 2HD2 LEU 79 6.213 -6.731 -0.703 555 HD23 LEU 79 3HD2 LEU 79 5.904 -7.594 0.804 556 H ALA 80 H ALA 80 11.479 -6.592 1.641 557 HA ALA 80 HA ALA 80 12.407 -5.528 -0.864 558 HB1 ALA 80 1HB ALA 80 14.455 -6.910 0.603 559 HB2 ALA 80 2HB ALA 80 14.281 -5.185 0.276 560 HB3 ALA 80 3HB ALA 80 13.500 -5.898 1.687 561 H VAL 81 H VAL 81 13.500 -6.627 -2.501 562 HA VAL 81 HA VAL 81 13.418 -9.561 -2.420 563 HB VAL 81 HB VAL 81 12.511 -7.956 -4.811 564 HG11 VAL 81 1HG1 VAL 81 11.568 -10.390 -5.270 565 HG12 VAL 81 2HG1 VAL 81 13.204 -9.921 -5.737 566 HG13 VAL 81 3HG1 VAL 81 12.938 -10.841 -4.256 567 HG21 VAL 81 1HG2 VAL 81 11.057 -8.898 -2.451 568 HG22 VAL 81 2HG2 VAL 81 10.616 -7.676 -3.643 569 HG23 VAL 81 3HG2 VAL 81 10.336 -9.383 -3.986 570 H ASN 82 H ASN 82 15.022 -10.600 -3.578 571 HA ASN 82 HA ASN 82 16.865 -9.023 -5.187 572 HB2 ASN 82 1HB ASN 82 18.830 -9.653 -3.934 573 HB3 ASN 82 2HB ASN 82 17.696 -8.872 -2.836 574 HD21 ASN 82 1HD2 ASN 82 18.700 -9.866 -1.070 575 HD22 ASN 82 2HD2 ASN 82 18.445 -11.536 -0.706 576 H SER 83 H SER 83 18.827 -10.703 -5.716 577 HA SER 83 HA SER 83 17.793 -12.539 -7.502 578 HB2 SER 83 1HB SER 83 20.481 -12.357 -6.153 579 HB3 SER 83 2HB SER 83 20.124 -13.622 -7.328 580 HG SER 83 HG SER 83 21.089 -11.716 -8.244 581 H ILE 84 H ILE 84 18.649 -12.969 -4.119 582 HA ILE 84 HA ILE 84 18.434 -15.787 -4.052 583 HB ILE 84 HB ILE 84 17.907 -13.921 -1.742 584 HG12 ILE 84 1HG1 ILE 84 20.025 -13.324 -2.854 585 HG13 ILE 84 2HG1 ILE 84 20.304 -14.028 -1.265 586 HG21 ILE 84 1HG2 ILE 84 17.694 -16.642 -1.889 587 HG22 ILE 84 2HG2 ILE 84 19.341 -16.428 -1.298 588 HG23 ILE 84 3HG2 ILE 84 17.989 -15.722 -0.414 589 HD11 ILE 84 1HD1 ILE 84 20.327 -16.117 -3.188 590 HD12 ILE 84 2HD1 ILE 84 21.379 -14.816 -3.748 591 HD13 ILE 84 3HD1 ILE 84 21.638 -15.538 -2.160 592 H GLY 85 H GLY 85 16.135 -13.242 -3.065 593 HA2 GLY 85 1HA GLY 85 13.843 -14.224 -4.136 594 HA3 GLY 85 2HA GLY 85 14.022 -15.165 -2.663 595 H ARG 86 H ARG 86 11.816 -13.588 -3.006 596 HA ARG 86 HA ARG 86 12.174 -11.007 -1.808 597 HB2 ARG 86 1HB ARG 86 9.683 -10.976 -1.750 598 HB3 ARG 86 2HB ARG 86 10.346 -11.315 -3.343 599 HG2 ARG 86 1HG ARG 86 9.894 -13.688 -3.041 600 HG3 ARG 86 2HG ARG 86 9.257 -13.367 -1.427 601 HD2 ARG 86 1HD ARG 86 7.302 -13.384 -2.596 602 HD3 ARG 86 2HD ARG 86 7.722 -11.680 -2.769 603 HE ARG 86 HE ARG 86 8.054 -12.020 -5.012 604 HH11 ARG 86 2HH1 ARG 86 7.885 -15.096 -3.391 605 HH12 ARG 86 1HH1 ARG 86 7.841 -16.015 -4.859 606 HH21 ARG 86 2HH2 ARG 86 7.998 -13.219 -6.952 607 HH22 ARG 86 1HH2 ARG 86 7.907 -14.946 -6.884 608 H GLY 87 H GLY 87 12.462 -10.621 0.281 609 HA2 GLY 87 1HA GLY 87 12.302 -12.649 2.256 610 HA3 GLY 87 2HA GLY 87 12.544 -10.934 2.556 611 HA PRO 88 HA PRO 88 8.355 -12.260 4.153 612 HB2 PRO 88 1HB PRO 88 8.734 -11.352 6.683 613 HB3 PRO 88 2HB PRO 88 9.194 -12.979 6.168 614 HG2 PRO 88 1HG PRO 88 10.898 -10.536 6.478 615 HG3 PRO 88 2HG PRO 88 11.242 -12.209 6.957 616 HD2 PRO 88 1HD PRO 88 12.249 -11.104 4.700 617 HD3 PRO 88 2HD PRO 88 11.848 -12.829 4.822 618 HA PRO 89 HA PRO 89 6.674 -8.221 3.645 619 HB2 PRO 89 1HB PRO 89 4.318 -8.514 4.962 620 HB3 PRO 89 2HB PRO 89 4.635 -9.249 3.387 621 HG2 PRO 89 1HG PRO 89 4.764 -10.481 6.112 622 HG3 PRO 89 2HG PRO 89 4.084 -11.145 4.615 623 HD2 PRO 89 1HD PRO 89 6.528 -11.850 5.544 624 HD3 PRO 89 2HD PRO 89 6.149 -11.780 3.811 625 H SER 90 H SER 90 6.555 -6.269 4.681 626 HA SER 90 HA SER 90 7.634 -6.138 7.343 627 HB2 SER 90 1HB SER 90 8.376 -4.478 5.771 628 HB3 SER 90 2HB SER 90 6.718 -4.003 5.406 629 HG SER 90 HG SER 90 8.290 -3.427 7.644 630 H GLU 91 H GLU 91 6.633 -4.752 9.028 631 HA GLU 91 HA GLU 91 4.303 -5.696 10.013 632 HB2 GLU 91 1HB GLU 91 5.643 -3.040 10.300 633 HB3 GLU 91 2HB GLU 91 4.058 -3.272 11.024 634 HG2 GLU 91 1HG GLU 91 5.064 -5.350 12.118 635 HG3 GLU 91 2HG GLU 91 6.626 -4.680 11.651 636 H ALA 92 H ALA 92 2.599 -6.032 8.667 637 HA ALA 92 HA ALA 92 1.638 -4.377 6.670 638 HB1 ALA 92 1HB ALA 92 -0.317 -5.936 8.286 639 HB2 ALA 92 2HB ALA 92 -0.165 -5.782 6.535 640 HB3 ALA 92 3HB ALA 92 0.961 -6.801 7.432 641 H VAL 93 H VAL 93 0.718 -2.439 6.671 642 HA VAL 93 HA VAL 93 -0.442 -1.436 9.186 643 HB VAL 93 HB VAL 93 -0.016 0.816 8.368 644 HG11 VAL 93 1HG1 VAL 93 1.829 -0.870 9.356 645 HG12 VAL 93 2HG1 VAL 93 2.611 -0.420 7.840 646 HG13 VAL 93 3HG1 VAL 93 2.152 0.826 9.001 647 HG21 VAL 93 1HG2 VAL 93 -0.297 0.171 5.937 648 HG22 VAL 93 2HG2 VAL 93 1.007 1.305 6.292 649 HG23 VAL 93 3HG2 VAL 93 1.373 -0.394 5.989 650 H ARG 94 H ARG 94 -2.350 -0.135 9.078 651 HA ARG 94 HA ARG 94 -4.004 -0.690 6.702 652 HB2 ARG 94 1HB ARG 94 -4.671 -0.734 9.627 653 HB3 ARG 94 2HB ARG 94 -5.928 -0.425 8.436 654 HG2 ARG 94 1HG ARG 94 -5.139 -2.584 7.315 655 HG3 ARG 94 2HG ARG 94 -4.286 -2.899 8.828 656 HD2 ARG 94 1HD ARG 94 -7.173 -2.150 8.907 657 HD3 ARG 94 2HD ARG 94 -6.723 -3.792 8.448 658 HE ARG 94 HE ARG 94 -6.059 -4.197 10.617 659 HH11 ARG 94 2HH1 ARG 94 -6.708 -0.805 10.181 660 HH12 ARG 94 1HH1 ARG 94 -6.648 -0.443 11.875 661 HH21 ARG 94 2HH2 ARG 94 -5.978 -3.733 12.849 662 HH22 ARG 94 1HH2 ARG 94 -6.232 -2.108 13.391 663 H ALA 95 H ALA 95 -4.701 1.032 5.628 664 HA ALA 95 HA ALA 95 -5.038 3.573 7.064 665 HB1 ALA 95 1HB ALA 95 -2.836 3.465 5.830 666 HB2 ALA 95 2HB ALA 95 -3.776 3.434 4.337 667 HB3 ALA 95 3HB ALA 95 -3.886 4.821 5.420 668 H ARG 96 H ARG 96 -7.001 4.378 6.752 669 HA ARG 96 HA ARG 96 -8.661 3.322 4.609 670 HB2 ARG 96 1HB ARG 96 -9.330 3.694 7.113 671 HB3 ARG 96 2HB ARG 96 -9.597 5.354 6.599 672 HG2 ARG 96 1HG ARG 96 -11.099 4.419 4.795 673 HG3 ARG 96 2HG ARG 96 -10.984 2.872 5.636 674 HD2 ARG 96 1HD ARG 96 -11.989 5.459 6.818 675 HD3 ARG 96 2HD ARG 96 -12.992 4.107 6.292 676 HE ARG 96 HE ARG 96 -11.095 3.227 8.189 677 HH11 ARG 96 2HH1 ARG 96 -14.030 5.080 7.926 678 HH12 ARG 96 1HH1 ARG 96 -14.548 4.734 9.543 679 HH21 ARG 96 2HH2 ARG 96 -11.765 2.764 10.320 680 HH22 ARG 96 1HH2 ARG 96 -13.258 3.418 10.904 681 H THR 97 H THR 97 -9.021 4.355 2.763 682 HA THR 97 HA THR 97 -7.801 6.847 2.178 683 HB THR 97 HB THR 97 -8.662 6.638 -0.008 684 HG1 THR 97 1HG THR 97 -10.475 4.597 0.652 685 HG21 THR 97 1HG2 THR 97 -7.719 4.236 1.339 686 HG22 THR 97 2HG2 THR 97 -7.251 4.913 -0.221 687 HG23 THR 97 3HG2 THR 97 -8.673 3.876 -0.099 688 H GLY 98 H GLY 98 -8.853 8.811 1.495 689 HA2 GLY 98 1HA GLY 98 -10.990 9.551 3.276 690 HA3 GLY 98 2HA GLY 98 -10.180 10.601 2.122 691 H GLU 99 H GLU 99 -12.679 11.147 2.183 692 HA GLU 99 HA GLU 99 -14.232 9.457 0.409 693 HB2 GLU 99 1HB GLU 99 -14.802 11.935 2.002 694 HB3 GLU 99 2HB GLU 99 -15.904 11.432 0.727 695 HG2 GLU 99 1HG GLU 99 -15.937 9.163 1.902 696 HG3 GLU 99 2HG GLU 99 -15.206 10.007 3.266 697 H GLN 100 H GLN 100 -15.311 10.361 -1.496 698 HA GLN 100 HA GLN 100 -13.644 12.383 -2.844 699 HB2 GLN 100 1HB GLN 100 -13.631 9.862 -3.612 700 HB3 GLN 100 2HB GLN 100 -15.139 10.312 -4.397 701 HG2 GLN 100 1HG GLN 100 -12.754 12.032 -4.819 702 HG3 GLN 100 2HG GLN 100 -12.835 10.477 -5.646 703 HE21 GLN 100 1HE2 GLN 100 -14.880 10.065 -6.849 704 HE22 GLN 100 2HE2 GLN 100 -15.585 11.392 -7.700 705 H SER 101 H SER 101 -16.110 12.735 -1.278 706 HA SER 101 HA SER 101 -18.127 13.792 -1.380 707 HB2 SER 101 1HB SER 101 -18.220 15.719 -2.779 708 HB3 SER 101 2HB SER 101 -16.520 15.506 -2.358 709 HG SER 101 HG SER 101 -17.767 15.329 -4.800 710 H GLY 102 H GLY 102 -17.823 11.201 -2.798 711 HA2 GLY 102 1HA GLY 102 -19.910 11.520 -4.859 712 HA3 GLY 102 2HA GLY 102 -18.767 10.188 -4.788 713 HA PRO 103 HA PRO 103 -21.808 7.766 -2.759 714 HB2 PRO 103 1HB PRO 103 -20.220 6.044 -1.386 715 HB3 PRO 103 2HB PRO 103 -20.434 5.964 -3.139 716 HG2 PRO 103 1HG PRO 103 -18.197 7.169 -1.558 717 HG3 PRO 103 2HG PRO 103 -18.121 6.173 -3.023 718 HD2 PRO 103 1HD PRO 103 -17.874 8.869 -3.080 719 HD3 PRO 103 2HD PRO 103 -18.611 7.949 -4.407 720 H SER 104 H SER 104 -23.027 8.416 -1.110 721 HA SER 104 HA SER 104 -21.727 9.400 1.330 722 HB2 SER 104 1HB SER 104 -23.769 10.572 1.812 723 HB3 SER 104 2HB SER 104 -23.375 10.871 0.119 724 HG SER 104 HG SER 104 -25.552 9.669 1.191 725 H SER 105 H SER 105 -21.594 8.052 2.985 726 HA SER 105 HA SER 105 -22.489 5.519 3.217 727 HB2 SER 105 1HB SER 105 -22.218 7.563 5.429 728 HB3 SER 105 2HB SER 105 -22.427 5.835 5.713 729 HG SER 105 HG SER 105 -20.491 5.502 4.519 730 H GLY 106 H GLY 106 -24.283 4.426 3.993 731 HA2 GLY 106 1HA GLY 106 -26.458 5.056 5.337 732 HA3 GLY 106 2HA GLY 106 -26.774 5.954 3.860 Start of MODEL 3 1 H1 GLY 1 H GLY 1 9.701 -15.294 10.816 2 HA2 GLY 1 1HA GLY 1 10.786 -17.942 11.430 3 HA3 GLY 1 2HA GLY 1 9.161 -17.868 10.765 4 H SER 2 H SER 2 12.557 -17.312 10.127 5 HA SER 2 HA SER 2 11.946 -17.339 7.246 6 HB2 SER 2 1HB SER 2 12.669 -15.077 8.045 7 HB3 SER 2 2HB SER 2 14.206 -15.791 8.534 8 HG SER 2 HG SER 2 14.784 -16.004 6.485 9 H SER 3 H SER 3 12.454 -19.638 8.731 10 HA SER 3 HA SER 3 15.251 -20.327 8.273 11 HB2 SER 3 1HB SER 3 13.033 -22.006 9.468 12 HB3 SER 3 2HB SER 3 14.755 -22.386 9.479 13 HG SER 3 HG SER 3 13.400 -20.319 10.850 14 H GLY 4 H GLY 4 15.933 -21.356 6.513 15 HA2 GLY 4 1HA GLY 4 15.779 -23.139 4.923 16 HA3 GLY 4 2HA GLY 4 14.028 -23.020 5.013 17 H SER 5 H SER 5 13.136 -20.852 4.251 18 HA SER 5 HA SER 5 14.053 -20.435 1.576 19 HB2 SER 5 1HB SER 5 11.885 -19.160 3.244 20 HB3 SER 5 2HB SER 5 12.241 -18.627 1.601 21 HG SER 5 HG SER 5 11.844 -21.358 2.074 22 H SER 6 H SER 6 16.164 -19.635 1.780 23 HA SER 6 HA SER 6 16.857 -17.375 3.330 24 HB2 SER 6 1HB SER 6 18.602 -18.866 2.638 25 HB3 SER 6 2HB SER 6 18.185 -18.660 0.937 26 HG SER 6 HG SER 6 19.953 -17.302 2.267 27 H GLY 7 H GLY 7 17.233 -15.227 2.720 28 HA2 GLY 7 1HA GLY 7 16.989 -14.091 0.217 29 HA3 GLY 7 2HA GLY 7 15.352 -14.171 0.853 30 HA PRO 8 HA PRO 8 17.390 -10.211 2.250 31 HB2 PRO 8 1HB PRO 8 15.424 -8.572 1.344 32 HB3 PRO 8 2HB PRO 8 16.791 -9.078 0.343 33 HG2 PRO 8 1HG PRO 8 13.999 -10.157 0.422 34 HG3 PRO 8 2HG PRO 8 15.026 -9.809 -0.982 35 HD2 PRO 8 1HD PRO 8 14.690 -12.313 -0.006 36 HD3 PRO 8 2HD PRO 8 16.203 -11.779 -0.767 37 H LYS 9 H LYS 9 16.327 -8.482 3.639 38 HA LYS 9 HA LYS 9 14.454 -9.799 5.471 39 HB2 LYS 9 1HB LYS 9 16.490 -7.621 5.789 40 HB3 LYS 9 2HB LYS 9 15.171 -7.762 6.943 41 HG2 LYS 9 1HG LYS 9 17.013 -8.922 7.860 42 HG3 LYS 9 2HG LYS 9 15.872 -10.146 7.301 43 HD2 LYS 9 1HD LYS 9 17.199 -10.369 5.221 44 HD3 LYS 9 2HD LYS 9 18.369 -9.224 5.879 45 HE2 LYS 9 1HE LYS 9 17.640 -11.618 7.495 46 HE3 LYS 9 2HE LYS 9 18.715 -11.826 6.113 47 HZ1 LYS 9 1HZ LYS 9 19.931 -9.810 7.212 48 HZ2 LYS 9 2HZ LYS 9 20.211 -11.386 7.758 49 HZ3 LYS 9 3HZ LYS 9 19.167 -10.367 8.615 50 HA PRO 10 HA PRO 10 11.115 -7.114 4.518 51 HB2 PRO 10 1HB PRO 10 9.938 -6.836 6.949 52 HB3 PRO 10 2HB PRO 10 9.861 -8.331 6.010 53 HG2 PRO 10 1HG PRO 10 11.655 -7.622 8.299 54 HG3 PRO 10 2HG PRO 10 10.792 -9.138 7.982 55 HD2 PRO 10 1HD PRO 10 13.426 -8.821 7.441 56 HD3 PRO 10 2HD PRO 10 12.371 -9.868 6.470 57 HA PRO 11 HA PRO 11 12.405 -2.965 5.302 58 HB2 PRO 11 1HB PRO 11 10.126 -1.678 4.582 59 HB3 PRO 11 2HB PRO 11 11.231 -2.404 3.409 60 HG2 PRO 11 1HG PRO 11 8.669 -3.484 4.519 61 HG3 PRO 11 2HG PRO 11 9.261 -3.507 2.848 62 HD2 PRO 11 1HD PRO 11 9.428 -5.660 4.481 63 HD3 PRO 11 2HD PRO 11 10.636 -5.318 3.227 64 H ILE 12 H ILE 12 11.673 -0.985 6.494 65 HA ILE 12 HA ILE 12 9.847 -1.578 8.711 66 HB ILE 12 HB ILE 12 11.371 -0.631 10.348 67 HG12 ILE 12 1HG1 ILE 12 13.435 -0.526 8.141 68 HG13 ILE 12 2HG1 ILE 12 12.550 0.879 8.726 69 HG21 ILE 12 1HG2 ILE 12 13.332 -2.471 9.456 70 HG22 ILE 12 2HG2 ILE 12 12.073 -2.710 10.667 71 HG23 ILE 12 3HG2 ILE 12 11.752 -3.089 8.975 72 HD11 ILE 12 1HD1 ILE 12 14.887 -0.408 9.808 73 HD12 ILE 12 2HD1 ILE 12 14.183 1.163 10.192 74 HD13 ILE 12 3HD1 ILE 12 13.605 -0.287 11.013 75 H ASP 13 H ASP 13 9.816 0.614 10.134 76 HA ASP 13 HA ASP 13 8.990 2.732 10.239 77 HB2 ASP 13 1HB ASP 13 11.368 3.010 9.122 78 HB3 ASP 13 2HB ASP 13 10.413 3.479 7.719 79 H LEU 14 H LEU 14 7.559 0.710 8.686 80 HA LEU 14 HA LEU 14 6.458 1.892 6.350 81 HB2 LEU 14 1HB LEU 14 6.469 -0.588 7.235 82 HB3 LEU 14 2HB LEU 14 4.936 -0.103 7.956 83 HG LEU 14 HG LEU 14 4.096 0.478 5.708 84 HD11 LEU 14 1HD1 LEU 14 6.868 0.124 5.026 85 HD12 LEU 14 2HD1 LEU 14 5.557 0.820 4.074 86 HD13 LEU 14 3HD1 LEU 14 5.844 -0.919 4.039 87 HD21 LEU 14 1HD2 LEU 14 4.196 -1.942 6.868 88 HD22 LEU 14 2HD2 LEU 14 5.036 -2.299 5.359 89 HD23 LEU 14 3HD2 LEU 14 3.401 -1.637 5.324 90 H VAL 15 H VAL 15 5.406 3.773 6.456 91 HA VAL 15 HA VAL 15 3.068 3.951 8.192 92 HB VAL 15 HB VAL 15 4.779 6.387 8.070 93 HG11 VAL 15 1HG1 VAL 15 2.458 5.439 9.495 94 HG12 VAL 15 2HG1 VAL 15 3.703 6.002 10.612 95 HG13 VAL 15 3HG1 VAL 15 3.097 7.076 9.351 96 HG21 VAL 15 1HG2 VAL 15 5.351 3.954 9.724 97 HG22 VAL 15 2HG2 VAL 15 6.468 4.951 8.791 98 HG23 VAL 15 3HG2 VAL 15 5.782 5.566 10.295 99 H VAL 16 H VAL 16 1.675 5.820 7.615 100 HA VAL 16 HA VAL 16 1.819 6.317 4.719 101 HB VAL 16 HB VAL 16 -0.554 6.340 6.587 102 HG11 VAL 16 1HG1 VAL 16 -1.916 6.802 4.610 103 HG12 VAL 16 2HG1 VAL 16 -0.770 8.109 4.917 104 HG13 VAL 16 3HG1 VAL 16 -0.456 6.943 3.632 105 HG21 VAL 16 1HG2 VAL 16 -0.831 4.639 4.314 106 HG22 VAL 16 2HG2 VAL 16 0.697 4.276 5.116 107 HG23 VAL 16 3HG2 VAL 16 -0.813 4.207 6.024 108 H THR 17 H THR 17 1.901 8.344 3.932 109 HA THR 17 HA THR 17 1.912 10.543 5.890 110 HB THR 17 HB THR 17 4.054 10.339 4.811 111 HG1 THR 17 1HG THR 17 2.652 12.485 3.564 112 HG21 THR 17 1HG2 THR 17 4.349 10.436 2.411 113 HG22 THR 17 2HG2 THR 17 2.611 10.612 2.172 114 HG23 THR 17 3HG2 THR 17 3.266 9.104 2.811 115 H GLU 18 H GLU 18 0.901 9.687 2.596 116 HA GLU 18 HA GLU 18 -1.150 11.794 2.780 117 HB2 GLU 18 1HB GLU 18 0.696 11.080 0.548 118 HB3 GLU 18 2HB GLU 18 -0.924 11.627 0.142 119 HG2 GLU 18 1HG GLU 18 -0.505 13.658 1.525 120 HG3 GLU 18 2HG GLU 18 1.165 13.123 1.702 121 H THR 19 H THR 19 -3.193 11.316 2.000 122 HA THR 19 HA THR 19 -3.672 8.612 0.979 123 HB THR 19 HB THR 19 -5.799 8.718 2.559 124 HG1 THR 19 1HG THR 19 -4.799 9.557 4.664 125 HG21 THR 19 1HG2 THR 19 -4.834 6.948 3.531 126 HG22 THR 19 2HG2 THR 19 -3.523 7.927 4.190 127 HG23 THR 19 3HG2 THR 19 -3.421 7.310 2.541 128 H THR 20 H THR 20 -4.617 8.960 -0.920 129 HA THR 20 HA THR 20 -6.426 11.234 -1.250 130 HB THR 20 HB THR 20 -5.790 9.427 -3.530 131 HG1 THR 20 1HG THR 20 -3.928 11.421 -2.807 132 HG21 THR 20 1HG2 THR 20 -6.653 12.179 -3.063 133 HG22 THR 20 2HG2 THR 20 -6.882 11.145 -4.474 134 HG23 THR 20 3HG2 THR 20 -5.377 12.042 -4.272 135 H ALA 21 H ALA 21 -8.458 10.929 -2.418 136 HA ALA 21 HA ALA 21 -10.125 9.043 -1.244 137 HB1 ALA 21 1HB ALA 21 -11.091 10.997 -2.174 138 HB2 ALA 21 2HB ALA 21 -10.444 10.638 -3.776 139 HB3 ALA 21 3HB ALA 21 -11.725 9.634 -3.097 140 H THR 22 H THR 22 -8.253 8.869 -4.203 141 HA THR 22 HA THR 22 -9.048 6.046 -4.466 142 HB THR 22 HB THR 22 -8.790 6.282 -6.939 143 HG1 THR 22 1HG THR 22 -8.915 9.081 -6.433 144 HG21 THR 22 1HG2 THR 22 -11.016 6.232 -6.139 145 HG22 THR 22 2HG2 THR 22 -10.942 7.599 -7.251 146 HG23 THR 22 3HG2 THR 22 -10.907 7.876 -5.509 147 H SER 23 H SER 23 -6.671 7.665 -3.361 148 HA SER 23 HA SER 23 -4.645 5.873 -4.415 149 HB2 SER 23 1HB SER 23 -3.863 8.757 -4.316 150 HB3 SER 23 2HB SER 23 -3.199 7.448 -5.293 151 HG SER 23 HG SER 23 -4.982 9.244 -6.014 152 H VAL 24 H VAL 24 -2.542 6.165 -3.187 153 HA VAL 24 HA VAL 24 -2.747 7.406 -0.585 154 HB VAL 24 HB VAL 24 -3.819 5.449 0.106 155 HG11 VAL 24 1HG1 VAL 24 -3.833 3.636 -1.172 156 HG12 VAL 24 2HG1 VAL 24 -2.506 4.288 -2.135 157 HG13 VAL 24 3HG1 VAL 24 -2.164 3.302 -0.713 158 HG21 VAL 24 1HG2 VAL 24 -0.916 4.790 0.565 159 HG22 VAL 24 2HG2 VAL 24 -1.778 6.062 1.431 160 HG23 VAL 24 3HG2 VAL 24 -2.290 4.382 1.593 161 H THR 25 H THR 25 -0.752 7.538 0.510 162 HA THR 25 HA THR 25 1.577 6.866 -1.166 163 HB THR 25 HB THR 25 1.444 9.086 0.877 164 HG1 THR 25 1HG THR 25 0.942 9.084 -1.918 165 HG21 THR 25 1HG2 THR 25 3.527 7.958 -0.840 166 HG22 THR 25 2HG2 THR 25 3.669 8.973 0.595 167 HG23 THR 25 3HG2 THR 25 3.365 9.708 -0.978 168 H LEU 26 H LEU 26 3.133 5.617 -0.325 169 HA LEU 26 HA LEU 26 3.033 5.052 2.566 170 HB2 LEU 26 1HB LEU 26 2.386 3.240 0.772 171 HB3 LEU 26 2HB LEU 26 4.135 3.072 0.630 172 HG LEU 26 HG LEU 26 4.155 2.660 3.135 173 HD11 LEU 26 1HD1 LEU 26 1.644 3.540 3.151 174 HD12 LEU 26 2HD1 LEU 26 2.247 2.372 4.326 175 HD13 LEU 26 3HD1 LEU 26 1.323 1.820 2.930 176 HD21 LEU 26 1HD2 LEU 26 3.304 0.297 2.834 177 HD22 LEU 26 2HD2 LEU 26 4.542 0.828 1.696 178 HD23 LEU 26 3HD2 LEU 26 2.851 0.766 1.196 179 H THR 27 H THR 27 4.933 5.015 3.690 180 HA THR 27 HA THR 27 7.419 5.472 2.189 181 HB THR 27 HB THR 27 8.127 7.109 3.937 182 HG1 THR 27 1HG THR 27 5.368 7.125 4.650 183 HG21 THR 27 1HG2 THR 27 6.460 7.502 1.722 184 HG22 THR 27 2HG2 THR 27 7.477 8.702 2.519 185 HG23 THR 27 3HG2 THR 27 5.791 8.514 3.002 186 H TRP 28 H TRP 28 9.181 4.425 2.954 187 HA TRP 28 HA TRP 28 9.210 3.347 5.647 188 HB2 TRP 28 1HB TRP 28 9.572 1.040 4.946 189 HB3 TRP 28 2HB TRP 28 8.018 1.618 4.349 190 HD1 TRP 28 HD TRP 28 11.358 0.296 3.177 191 HE1 TRP 28 1HE TRP 28 11.311 0.013 0.619 192 HE3 TRP 28 3HE TRP 28 6.952 2.689 2.176 193 HZ2 TRP 28 2HZ TRP 28 9.629 0.712 -1.538 194 HZ3 TRP 28 3HZ TRP 28 6.195 2.838 -0.161 195 HH2 TRP 28 HH TRP 28 7.508 1.870 -1.978 196 H ASP 29 H ASP 29 11.324 1.958 5.883 197 HA ASP 29 HA ASP 29 13.477 3.502 4.601 198 HB2 ASP 29 1HB ASP 29 13.093 3.473 7.189 199 HB3 ASP 29 2HB ASP 29 13.871 1.895 7.102 200 H SER 30 H SER 30 15.418 2.404 4.001 201 HA SER 30 HA SER 30 15.151 0.198 2.435 202 HB2 SER 30 1HB SER 30 17.563 1.165 3.972 203 HB3 SER 30 2HB SER 30 17.648 -0.161 2.814 204 HG SER 30 HG SER 30 17.008 2.551 2.348 205 H GLY 31 H GLY 31 16.238 0.184 5.828 206 HA2 GLY 31 1HA GLY 31 15.890 -1.434 7.450 207 HA3 GLY 31 2HA GLY 31 14.994 -2.377 6.269 208 H ASN 32 H ASN 32 16.953 -2.624 4.285 209 HA ASN 32 HA ASN 32 18.687 -4.584 5.569 210 HB2 ASN 32 1HB ASN 32 17.872 -4.055 2.723 211 HB3 ASN 32 2HB ASN 32 19.244 -5.096 3.090 212 HD21 ASN 32 1HD2 ASN 32 15.795 -4.669 3.457 213 HD22 ASN 32 2HD2 ASN 32 15.432 -6.324 3.797 214 H SER 33 H SER 33 20.931 -4.790 4.444 215 HA SER 33 HA SER 33 22.153 -2.111 4.462 216 HB2 SER 33 1HB SER 33 22.834 -3.652 6.310 217 HB3 SER 33 2HB SER 33 23.490 -4.752 5.097 218 HG SER 33 HG SER 33 24.312 -2.089 5.010 219 H GLU 34 H GLU 34 21.865 -5.123 2.737 220 HA GLU 34 HA GLU 34 23.859 -4.317 0.766 221 HB2 GLU 34 1HB GLU 34 23.592 -6.523 -0.176 222 HB3 GLU 34 2HB GLU 34 23.784 -6.665 1.566 223 HG2 GLU 34 1HG GLU 34 21.197 -6.687 1.603 224 HG3 GLU 34 2HG GLU 34 21.348 -7.095 -0.105 225 HA PRO 35 HA PRO 35 20.936 -2.607 -2.042 226 HB2 PRO 35 1HB PRO 35 22.293 -2.963 -4.366 227 HB3 PRO 35 2HB PRO 35 22.744 -1.745 -3.167 228 HG2 PRO 35 1HG PRO 35 23.912 -4.461 -3.639 229 HG3 PRO 35 2HG PRO 35 24.741 -2.927 -3.314 230 HD2 PRO 35 1HD PRO 35 24.339 -4.800 -1.401 231 HD3 PRO 35 2HD PRO 35 24.367 -3.061 -1.044 232 H VAL 36 H VAL 36 19.130 -3.868 -2.143 233 HA VAL 36 HA VAL 36 19.176 -6.468 -3.404 234 HB VAL 36 HB VAL 36 16.792 -6.563 -2.897 235 HG11 VAL 36 1HG1 VAL 36 18.881 -6.168 -0.965 236 HG12 VAL 36 2HG1 VAL 36 17.334 -5.625 -0.314 237 HG13 VAL 36 3HG1 VAL 36 17.508 -7.273 -0.917 238 HG21 VAL 36 1HG2 VAL 36 17.177 -3.655 -2.431 239 HG22 VAL 36 2HG2 VAL 36 15.828 -4.513 -3.177 240 HG23 VAL 36 3HG2 VAL 36 16.008 -4.508 -1.423 241 H THR 37 H THR 37 17.421 -6.965 -5.048 242 HA THR 37 HA THR 37 17.881 -5.435 -7.375 243 HB THR 37 HB THR 37 15.649 -7.427 -6.943 244 HG1 THR 37 1HG THR 37 18.220 -7.980 -8.016 245 HG21 THR 37 1HG2 THR 37 17.106 -6.661 -9.473 246 HG22 THR 37 2HG2 THR 37 15.540 -6.006 -8.994 247 HG23 THR 37 3HG2 THR 37 15.711 -7.729 -9.326 248 H TYR 38 H TYR 38 14.763 -6.018 -5.736 249 HA TYR 38 HA TYR 38 14.049 -3.230 -5.938 250 HB2 TYR 38 1HB TYR 38 12.154 -3.478 -7.376 251 HB3 TYR 38 2HB TYR 38 13.531 -4.192 -8.208 252 HD1 TYR 38 1HD TYR 38 10.348 -4.876 -6.524 253 HD2 TYR 38 2HD TYR 38 13.652 -6.582 -8.591 254 HE1 TYR 38 1HE TYR 38 9.086 -6.969 -6.801 255 HE2 TYR 38 2HE TYR 38 12.399 -8.679 -8.875 256 HH TYR 38 HH TYR 38 10.388 -9.820 -7.506 257 H TYR 39 H TYR 39 11.711 -2.926 -5.154 258 HA TYR 39 HA TYR 39 11.202 -4.852 -2.982 259 HB2 TYR 39 1HB TYR 39 10.931 -1.853 -3.062 260 HB3 TYR 39 2HB TYR 39 10.104 -2.825 -1.850 261 HD1 TYR 39 1HD TYR 39 13.506 -2.208 -3.250 262 HD2 TYR 39 2HD TYR 39 11.192 -3.339 0.136 263 HE1 TYR 39 1HE TYR 39 15.539 -2.196 -1.865 264 HE2 TYR 39 2HE TYR 39 13.218 -3.329 1.531 265 HH TYR 39 HH TYR 39 16.396 -2.980 0.153 266 H GLY 40 H GLY 40 9.239 -5.764 -2.858 267 HA2 GLY 40 1HA GLY 40 7.283 -5.045 -4.907 268 HA3 GLY 40 2HA GLY 40 7.275 -6.506 -3.929 269 H ILE 41 H ILE 41 4.951 -5.129 -4.302 270 HA ILE 41 HA ILE 41 4.416 -4.179 -1.584 271 HB ILE 41 HB ILE 41 3.608 -2.720 -4.098 272 HG12 ILE 41 1HG1 ILE 41 5.100 -1.729 -1.663 273 HG13 ILE 41 2HG1 ILE 41 5.891 -2.293 -3.131 274 HG21 ILE 41 1HG2 ILE 41 1.812 -1.934 -3.062 275 HG22 ILE 41 2HG2 ILE 41 2.151 -2.996 -1.696 276 HG23 ILE 41 3HG2 ILE 41 2.809 -1.360 -1.724 277 HD11 ILE 41 1HD1 ILE 41 3.839 -0.182 -3.419 278 HD12 ILE 41 2HD1 ILE 41 5.379 0.263 -2.681 279 HD13 ILE 41 3HD1 ILE 41 5.346 -0.433 -4.301 280 H GLN 42 H GLN 42 2.555 -4.929 -0.746 281 HA GLN 42 HA GLN 42 0.596 -6.142 -2.574 282 HB2 GLN 42 1HB GLN 42 1.782 -7.328 -0.071 283 HB3 GLN 42 2HB GLN 42 0.259 -7.892 -0.744 284 HG2 GLN 42 1HG GLN 42 1.258 -8.809 -2.601 285 HG3 GLN 42 2HG GLN 42 2.673 -7.763 -2.486 286 HE21 GLN 42 1HE2 GLN 42 3.724 -9.892 -2.846 287 HE22 GLN 42 2HE2 GLN 42 4.101 -10.846 -1.456 288 H TYR 43 H TYR 43 -1.433 -5.505 -2.239 289 HA TYR 43 HA TYR 43 -2.295 -4.656 0.409 290 HB2 TYR 43 1HB TYR 43 -3.197 -2.521 -0.424 291 HB3 TYR 43 2HB TYR 43 -1.445 -2.589 -0.576 292 HD1 TYR 43 1HD TYR 43 -0.453 -3.108 -2.851 293 HD2 TYR 43 2HD TYR 43 -4.556 -2.124 -2.301 294 HE1 TYR 43 1HE TYR 43 -0.635 -2.555 -5.241 295 HE2 TYR 43 2HE TYR 43 -4.749 -1.570 -4.690 296 HH TYR 43 HH TYR 43 -2.978 -0.779 -6.544 297 H ARG 44 H ARG 44 -4.494 -4.839 0.744 298 HA ARG 44 HA ARG 44 -6.294 -5.370 -1.447 299 HB2 ARG 44 1HB ARG 44 -5.291 -7.575 -1.159 300 HB3 ARG 44 2HB ARG 44 -5.656 -7.537 0.561 301 HG2 ARG 44 1HG ARG 44 -7.406 -8.789 -0.142 302 HG3 ARG 44 2HG ARG 44 -8.120 -7.190 -0.357 303 HD2 ARG 44 1HD ARG 44 -7.020 -7.386 -2.739 304 HD3 ARG 44 2HD ARG 44 -7.103 -9.113 -2.393 305 HE ARG 44 HE ARG 44 -9.400 -9.020 -2.575 306 HH11 ARG 44 2HH1 ARG 44 -8.068 -5.804 -2.575 307 HH12 ARG 44 1HH1 ARG 44 -9.551 -5.049 -3.057 308 HH21 ARG 44 2HH2 ARG 44 -11.358 -8.038 -3.211 309 HH22 ARG 44 1HH2 ARG 44 -11.422 -6.321 -3.418 310 H ALA 45 H ALA 45 -8.402 -4.979 -0.920 311 HA ALA 45 HA ALA 45 -9.156 -3.285 1.015 312 HB1 ALA 45 1HB ALA 45 -10.858 -5.597 0.093 313 HB2 ALA 45 2HB ALA 45 -11.436 -4.087 0.797 314 HB3 ALA 45 3HB ALA 45 -10.639 -4.078 -0.776 315 H ALA 46 H ALA 46 -9.129 -3.251 3.158 316 HA ALA 46 HA ALA 46 -8.392 -5.472 4.729 317 HB1 ALA 46 1HB ALA 46 -9.078 -2.668 5.187 318 HB2 ALA 46 2HB ALA 46 -9.502 -3.737 6.525 319 HB3 ALA 46 3HB ALA 46 -7.839 -3.674 5.940 320 H GLY 47 H GLY 47 -9.975 -7.059 4.008 321 HA2 GLY 47 1HA GLY 47 -11.722 -8.089 5.596 322 HA3 GLY 47 2HA GLY 47 -12.662 -6.673 5.149 323 H THR 48 H THR 48 -10.636 -8.919 3.270 324 HA THR 48 HA THR 48 -13.001 -9.783 1.787 325 HB THR 48 HB THR 48 -10.544 -8.712 0.388 326 HG1 THR 48 1HG THR 48 -13.121 -7.583 0.186 327 HG21 THR 48 1HG2 THR 48 -11.681 -10.562 -0.785 328 HG22 THR 48 2HG2 THR 48 -11.824 -9.034 -1.654 329 HG23 THR 48 3HG2 THR 48 -13.189 -9.652 -0.725 330 H GLU 49 H GLU 49 -12.691 -11.732 0.584 331 HA GLU 49 HA GLU 49 -10.452 -13.337 1.611 332 HB2 GLU 49 1HB GLU 49 -13.234 -14.040 0.721 333 HB3 GLU 49 2HB GLU 49 -11.973 -15.264 0.782 334 HG2 GLU 49 1HG GLU 49 -11.718 -15.027 3.115 335 HG3 GLU 49 2HG GLU 49 -12.677 -13.548 3.141 336 H GLY 50 H GLY 50 -9.453 -11.905 -0.282 337 HA2 GLY 50 1HA GLY 50 -9.347 -13.706 -2.610 338 HA3 GLY 50 2HA GLY 50 -9.545 -11.977 -2.852 339 HA PRO 51 HA PRO 51 -4.992 -13.224 -2.681 340 HB2 PRO 51 1HB PRO 51 -4.388 -12.620 -5.258 341 HB3 PRO 51 2HB PRO 51 -4.944 -14.219 -4.751 342 HG2 PRO 51 1HG PRO 51 -6.492 -11.985 -6.006 343 HG3 PRO 51 2HG PRO 51 -6.548 -13.722 -6.359 344 HD2 PRO 51 1HD PRO 51 -8.406 -12.486 -4.825 345 HD3 PRO 51 2HD PRO 51 -7.916 -14.171 -4.559 346 H PHE 52 H PHE 52 -3.541 -11.715 -2.105 347 HA PHE 52 HA PHE 52 -4.267 -8.946 -2.191 348 HB2 PHE 52 1HB PHE 52 -1.941 -10.495 -1.102 349 HB3 PHE 52 2HB PHE 52 -1.846 -8.741 -1.222 350 HD1 PHE 52 2HD PHE 52 -4.244 -11.337 -0.017 351 HD2 PHE 52 1HD PHE 52 -2.426 -7.544 0.639 352 HE1 PHE 52 2HE PHE 52 -5.453 -11.130 2.116 353 HE2 PHE 52 1HE PHE 52 -3.632 -7.332 2.774 354 HZ PHE 52 HZ PHE 52 -5.148 -9.126 3.514 355 H GLN 53 H GLN 53 -3.585 -7.376 -3.531 356 HA GLN 53 HA GLN 53 -2.655 -7.873 -6.063 357 HB2 GLN 53 1HB GLN 53 -2.395 -5.395 -4.364 358 HB3 GLN 53 2HB GLN 53 -1.931 -5.438 -6.060 359 HG2 GLN 53 1HG GLN 53 -4.669 -5.823 -4.888 360 HG3 GLN 53 2HG GLN 53 -4.112 -4.527 -5.944 361 HE21 GLN 53 1HE2 GLN 53 -6.349 -6.330 -6.302 362 HE22 GLN 53 2HE2 GLN 53 -6.070 -7.168 -7.787 363 H GLU 54 H GLU 54 -0.590 -7.225 -7.081 364 HA GLU 54 HA GLU 54 1.746 -7.470 -5.337 365 HB2 GLU 54 1HB GLU 54 0.989 -9.734 -6.329 366 HB3 GLU 54 2HB GLU 54 1.583 -9.100 -7.858 367 HG2 GLU 54 1HG GLU 54 3.766 -8.648 -6.563 368 HG3 GLU 54 2HG GLU 54 3.109 -9.777 -5.379 369 H VAL 55 H VAL 55 2.985 -5.779 -5.762 370 HA VAL 55 HA VAL 55 3.176 -4.834 -8.549 371 HB VAL 55 HB VAL 55 3.407 -3.175 -6.034 372 HG11 VAL 55 1HG1 VAL 55 4.867 -2.306 -7.731 373 HG12 VAL 55 2HG1 VAL 55 3.595 -2.423 -8.948 374 HG13 VAL 55 3HG1 VAL 55 3.448 -1.265 -7.626 375 HG21 VAL 55 1HG2 VAL 55 1.107 -3.861 -6.508 376 HG22 VAL 55 2HG2 VAL 55 1.325 -2.130 -6.766 377 HG23 VAL 55 3HG2 VAL 55 1.252 -3.224 -8.146 378 H ASP 56 H ASP 56 5.137 -4.851 -9.435 379 HA ASP 56 HA ASP 56 7.477 -5.018 -7.651 380 HB2 ASP 56 1HB ASP 56 8.536 -6.558 -9.155 381 HB3 ASP 56 2HB ASP 56 6.923 -7.177 -8.812 382 H GLY 57 H GLY 57 9.368 -3.969 -8.319 383 HA2 GLY 57 1HA GLY 57 10.630 -2.739 -9.969 384 HA3 GLY 57 2HA GLY 57 9.108 -2.233 -10.687 385 H VAL 58 H VAL 58 10.044 -2.198 -7.272 386 HA VAL 58 HA VAL 58 9.756 0.737 -7.321 387 HB VAL 58 HB VAL 58 9.124 -1.108 -5.014 388 HG11 VAL 58 1HG1 VAL 58 9.164 0.704 -3.735 389 HG12 VAL 58 2HG1 VAL 58 9.670 1.675 -5.118 390 HG13 VAL 58 3HG1 VAL 58 7.954 1.466 -4.766 391 HG21 VAL 58 1HG2 VAL 58 7.268 -1.505 -6.228 392 HG22 VAL 58 2HG2 VAL 58 6.780 0.087 -5.647 393 HG23 VAL 58 3HG2 VAL 58 7.503 -0.085 -7.247 394 H ALA 59 H ALA 59 12.007 0.997 -7.681 395 HA ALA 59 HA ALA 59 13.850 -0.014 -5.671 396 HB1 ALA 59 1HB ALA 59 14.950 1.865 -7.602 397 HB2 ALA 59 2HB ALA 59 15.429 0.208 -7.232 398 HB3 ALA 59 3HB ALA 59 14.107 0.513 -8.359 399 H THR 60 H THR 60 11.804 1.928 -4.904 400 HA THR 60 HA THR 60 13.590 4.050 -3.918 401 HB THR 60 HB THR 60 11.457 5.512 -3.919 402 HG1 THR 60 1HG THR 60 9.827 4.869 -5.192 403 HG21 THR 60 1HG2 THR 60 12.256 6.545 -5.773 404 HG22 THR 60 2HG2 THR 60 12.272 5.060 -6.724 405 HG23 THR 60 3HG2 THR 60 13.571 5.387 -5.578 406 H THR 61 H THR 61 12.646 5.176 -1.969 407 HA THR 61 HA THR 61 11.570 3.138 -0.160 408 HB THR 61 HB THR 61 12.258 4.732 1.652 409 HG1 THR 61 1HG THR 61 12.430 6.696 0.737 410 HG21 THR 61 1HG2 THR 61 14.718 4.315 0.059 411 HG22 THR 61 2HG2 THR 61 13.731 2.887 0.376 412 HG23 THR 61 3HG2 THR 61 14.350 3.849 1.719 413 H ARG 62 H ARG 62 10.072 4.952 -2.133 414 HA ARG 62 HA ARG 62 7.870 5.512 -0.347 415 HB2 ARG 62 1HB ARG 62 9.185 7.584 -0.203 416 HB3 ARG 62 2HB ARG 62 9.135 7.739 -1.954 417 HG2 ARG 62 1HG ARG 62 6.950 8.401 -1.976 418 HG3 ARG 62 2HG ARG 62 6.563 7.548 -0.480 419 HD2 ARG 62 1HD ARG 62 6.510 9.820 0.096 420 HD3 ARG 62 2HD ARG 62 8.070 9.243 0.680 421 HE ARG 62 HE ARG 62 9.100 10.653 -0.796 422 HH11 ARG 62 2HH1 ARG 62 5.767 10.273 -1.727 423 HH12 ARG 62 1HH1 ARG 62 5.835 11.492 -2.957 424 HH21 ARG 62 2HH2 ARG 62 9.203 12.260 -2.412 425 HH22 ARG 62 1HH2 ARG 62 7.790 12.621 -3.346 426 H TYR 63 H TYR 63 6.182 4.659 -1.349 427 HA TYR 63 HA TYR 63 5.820 5.165 -4.214 428 HB2 TYR 63 1HB TYR 63 6.790 2.928 -4.046 429 HB3 TYR 63 2HB TYR 63 5.547 2.456 -2.893 430 HD1 TYR 63 1HD TYR 63 6.261 3.187 -6.416 431 HD2 TYR 63 2HD TYR 63 3.298 1.949 -3.625 432 HE1 TYR 63 1HE TYR 63 4.829 2.445 -8.274 433 HE2 TYR 63 2HE TYR 63 1.859 1.203 -5.475 434 HH TYR 63 HH TYR 63 2.967 1.338 -8.835 435 H SER 64 H SER 64 3.677 5.242 -4.909 436 HA SER 64 HA SER 64 1.689 5.359 -2.737 437 HB2 SER 64 1HB SER 64 0.541 7.085 -3.945 438 HB3 SER 64 2HB SER 64 2.246 7.531 -3.896 439 HG SER 64 HG SER 64 2.167 6.235 -6.045 440 H ILE 65 H ILE 65 -0.315 4.425 -3.030 441 HA ILE 65 HA ILE 65 -0.506 2.577 -5.312 442 HB ILE 65 HB ILE 65 -1.861 2.420 -2.617 443 HG12 ILE 65 1HG1 ILE 65 -0.372 0.206 -2.726 444 HG13 ILE 65 2HG1 ILE 65 0.614 1.227 -3.768 445 HG21 ILE 65 1HG2 ILE 65 -3.370 1.286 -3.875 446 HG22 ILE 65 2HG2 ILE 65 -2.203 0.921 -5.144 447 HG23 ILE 65 3HG2 ILE 65 -2.202 -0.016 -3.651 448 HD11 ILE 65 1HD1 ILE 65 -0.264 2.150 -1.060 449 HD12 ILE 65 2HD1 ILE 65 1.173 1.151 -1.282 450 HD13 ILE 65 3HD1 ILE 65 1.071 2.733 -2.053 451 H GLY 66 H GLY 66 -2.205 2.658 -6.678 452 HA2 GLY 66 1HA GLY 66 -4.410 4.502 -5.999 453 HA3 GLY 66 2HA GLY 66 -3.645 4.532 -7.581 454 H GLY 67 H GLY 67 -6.335 4.204 -7.454 455 HA2 GLY 67 1HA GLY 67 -7.731 2.814 -8.758 456 HA3 GLY 67 2HA GLY 67 -6.613 1.484 -8.496 457 H LEU 68 H LEU 68 -7.430 3.293 -5.712 458 HA LEU 68 HA LEU 68 -9.042 1.046 -4.747 459 HB2 LEU 68 1HB LEU 68 -7.967 3.321 -3.106 460 HB3 LEU 68 2HB LEU 68 -8.519 1.743 -2.549 461 HG LEU 68 HG LEU 68 -6.074 2.091 -4.270 462 HD11 LEU 68 1HD1 LEU 68 -5.427 3.311 -2.419 463 HD12 LEU 68 2HD1 LEU 68 -4.917 1.680 -1.985 464 HD13 LEU 68 3HD1 LEU 68 -6.404 2.348 -1.310 465 HD21 LEU 68 1HD2 LEU 68 -5.765 -0.106 -2.661 466 HD22 LEU 68 2HD2 LEU 68 -6.306 -0.131 -4.339 467 HD23 LEU 68 3HD2 LEU 68 -7.489 -0.140 -3.030 468 H SER 69 H SER 69 -10.760 1.745 -3.072 469 HA SER 69 HA SER 69 -12.446 3.749 -4.385 470 HB2 SER 69 1HB SER 69 -12.998 1.385 -2.624 471 HB3 SER 69 2HB SER 69 -14.189 2.681 -2.743 472 HG SER 69 HG SER 69 -14.218 2.350 -4.999 473 HA PRO 70 HA PRO 70 -11.976 6.680 -1.143 474 HB2 PRO 70 1HB PRO 70 -14.350 7.982 -1.348 475 HB3 PRO 70 2HB PRO 70 -13.047 8.169 -2.527 476 HG2 PRO 70 1HG PRO 70 -15.505 6.466 -2.674 477 HG3 PRO 70 2HG PRO 70 -14.768 7.478 -3.930 478 HD2 PRO 70 1HD PRO 70 -14.425 4.794 -3.834 479 HD3 PRO 70 2HD PRO 70 -13.175 5.895 -4.448 480 H PHE 71 H PHE 71 -12.335 6.785 1.007 481 HA PHE 71 HA PHE 71 -13.210 6.380 3.069 482 HB2 PHE 71 1HB PHE 71 -15.350 7.174 1.726 483 HB3 PHE 71 2HB PHE 71 -15.829 5.493 1.941 484 HD1 PHE 71 2HD PHE 71 -14.237 8.118 4.070 485 HD2 PHE 71 1HD PHE 71 -17.284 5.173 3.673 486 HE1 PHE 71 2HE PHE 71 -15.034 8.642 6.338 487 HE2 PHE 71 1HE PHE 71 -18.087 5.693 5.940 488 HZ PHE 71 HZ PHE 71 -16.961 7.428 7.276 489 H SER 72 H SER 72 -11.801 4.352 1.719 490 HA SER 72 HA SER 72 -13.081 1.957 2.862 491 HB2 SER 72 1HB SER 72 -12.302 0.609 1.052 492 HB3 SER 72 2HB SER 72 -13.064 2.023 0.323 493 HG SER 72 HG SER 72 -10.910 2.923 0.179 494 H GLU 73 H GLU 73 -11.592 0.289 3.570 495 HA GLU 73 HA GLU 73 -9.040 1.439 4.478 496 HB2 GLU 73 1HB GLU 73 -10.923 0.555 6.094 497 HB3 GLU 73 2HB GLU 73 -10.230 -1.013 5.707 498 HG2 GLU 73 1HG GLU 73 -8.066 -0.289 6.519 499 HG3 GLU 73 2HG GLU 73 -8.708 1.320 6.847 500 H TYR 74 H TYR 74 -7.148 0.458 4.008 501 HA TYR 74 HA TYR 74 -7.209 -2.199 2.768 502 HB2 TYR 74 1HB TYR 74 -6.175 0.337 1.570 503 HB3 TYR 74 2HB TYR 74 -5.333 -1.169 1.219 504 HD1 TYR 74 1HD TYR 74 -8.528 0.636 0.863 505 HD2 TYR 74 2HD TYR 74 -6.286 -2.808 -0.238 506 HE1 TYR 74 1HE TYR 74 -10.177 0.131 -0.890 507 HE2 TYR 74 2HE TYR 74 -7.929 -3.323 -1.995 508 HH TYR 74 HH TYR 74 -10.960 -1.837 -2.168 509 H ALA 75 H ALA 75 -5.333 -3.423 3.026 510 HA ALA 75 HA ALA 75 -3.518 -2.419 5.108 511 HB1 ALA 75 1HB ALA 75 -2.963 -4.866 5.401 512 HB2 ALA 75 2HB ALA 75 -4.603 -4.387 5.840 513 HB3 ALA 75 3HB ALA 75 -4.305 -5.210 4.309 514 H PHE 76 H PHE 76 -1.650 -1.668 4.366 515 HA PHE 76 HA PHE 76 -0.533 -2.766 1.892 516 HB2 PHE 76 1HB PHE 76 0.262 -0.303 3.461 517 HB3 PHE 76 2HB PHE 76 0.937 -0.793 1.910 518 HD1 PHE 76 2HD PHE 76 -2.028 0.536 3.614 519 HD2 PHE 76 1HD PHE 76 -0.258 -0.445 -0.131 520 HE1 PHE 76 2HE PHE 76 -3.794 1.796 2.453 521 HE2 PHE 76 1HE PHE 76 -2.021 0.815 -1.298 522 HZ PHE 76 HZ PHE 76 -3.793 1.936 -0.005 523 H ARG 77 H ARG 77 1.688 -3.368 1.759 524 HA ARG 77 HA ARG 77 3.302 -3.605 4.109 525 HB2 ARG 77 1HB ARG 77 3.416 -6.096 4.071 526 HB3 ARG 77 2HB ARG 77 1.860 -5.465 4.595 527 HG2 ARG 77 1HG ARG 77 0.995 -5.845 2.299 528 HG3 ARG 77 2HG ARG 77 2.532 -6.613 1.896 529 HD2 ARG 77 1HD ARG 77 2.169 -8.325 3.545 530 HD3 ARG 77 2HD ARG 77 0.723 -7.507 4.135 531 HE ARG 77 HE ARG 77 0.235 -7.985 1.483 532 HH11 ARG 77 2HH1 ARG 77 1.051 -9.928 4.255 533 HH12 ARG 77 1HH1 ARG 77 0.211 -11.331 3.683 534 HH21 ARG 77 2HH2 ARG 77 -0.874 -9.826 0.719 535 HH22 ARG 77 1HH2 ARG 77 -0.883 -11.272 1.670 536 H VAL 78 H VAL 78 5.273 -3.212 3.371 537 HA VAL 78 HA VAL 78 5.938 -3.837 0.600 538 HB VAL 78 HB VAL 78 7.620 -2.356 2.624 539 HG11 VAL 78 1HG1 VAL 78 8.630 -3.372 0.485 540 HG12 VAL 78 2HG1 VAL 78 7.748 -2.099 -0.360 541 HG13 VAL 78 3HG1 VAL 78 8.965 -1.679 0.846 542 HG21 VAL 78 1HG2 VAL 78 6.712 -0.323 1.886 543 HG22 VAL 78 2HG2 VAL 78 5.924 -1.076 0.500 544 HG23 VAL 78 3HG2 VAL 78 5.315 -1.372 2.128 545 H LEU 79 H LEU 79 7.696 -5.095 -0.018 546 HA LEU 79 HA LEU 79 9.132 -6.561 2.066 547 HB2 LEU 79 1HB LEU 79 8.747 -8.695 0.928 548 HB3 LEU 79 2HB LEU 79 7.253 -7.979 1.529 549 HG LEU 79 HG LEU 79 6.968 -7.110 -0.890 550 HD11 LEU 79 1HD1 LEU 79 8.608 -7.598 -2.301 551 HD12 LEU 79 2HD1 LEU 79 8.139 -9.293 -2.171 552 HD13 LEU 79 3HD1 LEU 79 9.395 -8.642 -1.118 553 HD21 LEU 79 1HD2 LEU 79 5.745 -9.000 0.364 554 HD22 LEU 79 2HD2 LEU 79 6.742 -10.085 -0.606 555 HD23 LEU 79 3HD2 LEU 79 5.643 -8.953 -1.396 556 H ALA 80 H ALA 80 11.228 -6.858 1.599 557 HA ALA 80 HA ALA 80 12.323 -5.676 -0.761 558 HB1 ALA 80 1HB ALA 80 13.671 -7.309 1.387 559 HB2 ALA 80 2HB ALA 80 14.488 -6.343 0.157 560 HB3 ALA 80 3HB ALA 80 13.488 -5.555 1.377 561 H VAL 81 H VAL 81 13.319 -6.643 -2.502 562 HA VAL 81 HA VAL 81 13.165 -9.571 -2.696 563 HB VAL 81 HB VAL 81 12.375 -7.752 -4.969 564 HG11 VAL 81 1HG1 VAL 81 12.789 -10.623 -4.639 565 HG12 VAL 81 2HG1 VAL 81 11.236 -10.212 -5.370 566 HG13 VAL 81 3HG1 VAL 81 12.736 -9.645 -6.106 567 HG21 VAL 81 1HG2 VAL 81 10.688 -7.409 -3.355 568 HG22 VAL 81 2HG2 VAL 81 10.041 -8.612 -4.471 569 HG23 VAL 81 3HG2 VAL 81 10.668 -9.113 -2.901 570 H ASN 82 H ASN 82 14.743 -10.544 -3.949 571 HA ASN 82 HA ASN 82 16.652 -8.882 -5.382 572 HB2 ASN 82 1HB ASN 82 18.584 -9.661 -4.173 573 HB3 ASN 82 2HB ASN 82 17.451 -8.980 -3.009 574 HD21 ASN 82 1HD2 ASN 82 18.425 -10.169 -1.349 575 HD22 ASN 82 2HD2 ASN 82 18.140 -11.863 -1.162 576 H SER 83 H SER 83 18.556 -10.534 -6.088 577 HA SER 83 HA SER 83 17.509 -12.168 -8.035 578 HB2 SER 83 1HB SER 83 20.161 -12.012 -6.678 579 HB3 SER 83 2HB SER 83 19.841 -13.410 -7.703 580 HG SER 83 HG SER 83 19.582 -10.695 -8.495 581 H ILE 84 H ILE 84 18.322 -12.982 -4.704 582 HA ILE 84 HA ILE 84 17.988 -15.770 -4.904 583 HB ILE 84 HB ILE 84 17.358 -14.210 -2.414 584 HG12 ILE 84 1HG1 ILE 84 19.374 -13.190 -2.895 585 HG13 ILE 84 2HG1 ILE 84 19.933 -14.616 -2.029 586 HG21 ILE 84 1HG2 ILE 84 17.425 -16.905 -2.957 587 HG22 ILE 84 2HG2 ILE 84 19.004 -16.604 -2.234 588 HG23 ILE 84 3HG2 ILE 84 17.536 -16.170 -1.358 589 HD11 ILE 84 1HD1 ILE 84 19.998 -15.628 -4.463 590 HD12 ILE 84 2HD1 ILE 84 20.157 -13.927 -4.900 591 HD13 ILE 84 3HD1 ILE 84 21.330 -14.672 -3.814 592 H GLY 85 H GLY 85 15.728 -13.244 -3.793 593 HA2 GLY 85 1HA GLY 85 13.448 -14.024 -5.006 594 HA3 GLY 85 2HA GLY 85 13.549 -15.143 -3.655 595 H ARG 86 H ARG 86 11.383 -13.578 -3.750 596 HA ARG 86 HA ARG 86 11.727 -11.102 -2.353 597 HB2 ARG 86 1HB ARG 86 9.255 -11.109 -2.217 598 HB3 ARG 86 2HB ARG 86 9.846 -11.374 -3.852 599 HG2 ARG 86 1HG ARG 86 9.421 -13.756 -3.643 600 HG3 ARG 86 2HG ARG 86 8.877 -13.524 -1.980 601 HD2 ARG 86 1HD ARG 86 7.114 -11.982 -2.872 602 HD3 ARG 86 2HD ARG 86 7.593 -12.475 -4.496 603 HE ARG 86 HE ARG 86 6.099 -14.030 -2.568 604 HH11 ARG 86 2HH1 ARG 86 7.978 -14.048 -5.498 605 HH12 ARG 86 1HH1 ARG 86 7.316 -15.544 -6.069 606 HH21 ARG 86 2HH2 ARG 86 5.220 -16.000 -3.308 607 HH22 ARG 86 1HH2 ARG 86 5.746 -16.653 -4.822 608 H GLY 87 H GLY 87 11.721 -10.714 -0.219 609 HA2 GLY 87 1HA GLY 87 11.678 -12.997 1.579 610 HA3 GLY 87 2HA GLY 87 12.134 -11.351 1.991 611 HA PRO 88 HA PRO 88 7.905 -12.316 3.731 612 HB2 PRO 88 1HB PRO 88 8.513 -11.651 6.292 613 HB3 PRO 88 2HB PRO 88 8.756 -13.275 5.637 614 HG2 PRO 88 1HG PRO 88 10.744 -11.069 6.017 615 HG3 PRO 88 2HG PRO 88 10.916 -12.801 6.357 616 HD2 PRO 88 1HD PRO 88 11.929 -11.646 4.128 617 HD3 PRO 88 2HD PRO 88 11.338 -13.320 4.152 618 HA PRO 89 HA PRO 89 6.746 -8.064 3.523 619 HB2 PRO 89 1HB PRO 89 4.319 -8.219 4.729 620 HB3 PRO 89 2HB PRO 89 4.619 -8.819 3.094 621 HG2 PRO 89 1HG PRO 89 4.495 -10.333 5.673 622 HG3 PRO 89 2HG PRO 89 3.809 -10.756 4.093 623 HD2 PRO 89 1HD PRO 89 6.118 -11.829 5.014 624 HD3 PRO 89 2HD PRO 89 5.823 -11.537 3.288 625 H SER 90 H SER 90 6.423 -6.205 4.822 626 HA SER 90 HA SER 90 7.569 -6.447 7.473 627 HB2 SER 90 1HB SER 90 8.480 -4.637 6.289 628 HB3 SER 90 2HB SER 90 6.908 -4.133 5.667 629 HG SER 90 HG SER 90 7.935 -2.922 7.518 630 H GLU 91 H GLU 91 6.563 -4.802 9.135 631 HA GLU 91 HA GLU 91 4.235 -5.847 10.123 632 HB2 GLU 91 1HB GLU 91 5.509 -3.150 10.461 633 HB3 GLU 91 2HB GLU 91 3.987 -3.524 11.258 634 HG2 GLU 91 1HG GLU 91 5.100 -5.496 12.298 635 HG3 GLU 91 2HG GLU 91 6.623 -4.924 11.620 636 H ALA 92 H ALA 92 2.555 -6.143 8.728 637 HA ALA 92 HA ALA 92 1.601 -4.530 6.743 638 HB1 ALA 92 1HB ALA 92 0.608 -6.626 6.897 639 HB2 ALA 92 2HB ALA 92 0.194 -6.413 8.599 640 HB3 ALA 92 3HB ALA 92 -0.692 -5.527 7.359 641 H VAL 93 H VAL 93 0.661 -2.596 6.609 642 HA VAL 93 HA VAL 93 -0.326 -1.360 9.096 643 HB VAL 93 HB VAL 93 0.180 0.811 8.122 644 HG11 VAL 93 1HG1 VAL 93 2.709 -0.656 7.626 645 HG12 VAL 93 2HG1 VAL 93 2.399 0.765 8.626 646 HG13 VAL 93 3HG1 VAL 93 1.959 -0.840 9.211 647 HG21 VAL 93 1HG2 VAL 93 -0.049 -0.373 5.708 648 HG22 VAL 93 2HG2 VAL 93 0.736 1.185 5.968 649 HG23 VAL 93 3HG2 VAL 93 1.707 -0.283 5.853 650 H ARG 94 H ARG 94 -2.225 -0.114 9.026 651 HA ARG 94 HA ARG 94 -3.954 -0.685 6.709 652 HB2 ARG 94 1HB ARG 94 -4.509 -0.577 9.651 653 HB3 ARG 94 2HB ARG 94 -5.799 -0.217 8.511 654 HG2 ARG 94 1HG ARG 94 -5.283 -2.440 7.424 655 HG3 ARG 94 2HG ARG 94 -4.270 -2.781 8.828 656 HD2 ARG 94 1HD ARG 94 -7.111 -1.903 9.174 657 HD3 ARG 94 2HD ARG 94 -6.733 -3.586 8.813 658 HE ARG 94 HE ARG 94 -6.364 -2.238 11.306 659 HH11 ARG 94 2HH1 ARG 94 -5.149 -4.790 9.274 660 HH12 ARG 94 1HH1 ARG 94 -4.479 -5.696 10.590 661 HH21 ARG 94 2HH2 ARG 94 -5.487 -3.421 13.047 662 HH22 ARG 94 1HH2 ARG 94 -4.673 -4.917 12.736 663 H ALA 95 H ALA 95 -4.582 1.004 5.548 664 HA ALA 95 HA ALA 95 -4.752 3.639 6.846 665 HB1 ALA 95 1HB ALA 95 -3.829 3.493 4.021 666 HB2 ALA 95 2HB ALA 95 -3.490 4.701 5.261 667 HB3 ALA 95 3HB ALA 95 -2.675 3.138 5.307 668 H ARG 96 H ARG 96 -6.663 4.578 6.568 669 HA ARG 96 HA ARG 96 -8.508 3.466 4.598 670 HB2 ARG 96 1HB ARG 96 -8.970 4.010 7.149 671 HB3 ARG 96 2HB ARG 96 -9.306 5.613 6.510 672 HG2 ARG 96 1HG ARG 96 -11.017 4.714 5.057 673 HG3 ARG 96 2HG ARG 96 -10.641 3.076 5.593 674 HD2 ARG 96 1HD ARG 96 -11.171 3.916 7.946 675 HD3 ARG 96 2HD ARG 96 -11.886 5.320 7.154 676 HE ARG 96 HE ARG 96 -12.922 2.934 6.047 677 HH11 ARG 96 2HH1 ARG 96 -13.089 4.925 8.898 678 HH12 ARG 96 1HH1 ARG 96 -14.703 4.441 9.300 679 HH21 ARG 96 2HH2 ARG 96 -15.047 2.288 6.566 680 HH22 ARG 96 1HH2 ARG 96 -15.816 2.940 7.974 681 H THR 97 H THR 97 -8.727 4.401 2.686 682 HA THR 97 HA THR 97 -7.549 6.881 2.015 683 HB THR 97 HB THR 97 -8.425 6.592 -0.163 684 HG1 THR 97 1HG THR 97 -10.173 5.114 -0.548 685 HG21 THR 97 1HG2 THR 97 -7.380 4.293 1.258 686 HG22 THR 97 2HG2 THR 97 -7.003 4.880 -0.362 687 HG23 THR 97 3HG2 THR 97 -8.384 3.812 -0.109 688 H GLY 98 H GLY 98 -8.540 8.850 1.389 689 HA2 GLY 98 1HA GLY 98 -10.654 9.676 3.108 690 HA3 GLY 98 2HA GLY 98 -9.917 10.639 1.835 691 H GLU 99 H GLU 99 -12.489 11.060 2.104 692 HA GLU 99 HA GLU 99 -13.842 9.362 0.118 693 HB2 GLU 99 1HB GLU 99 -15.898 10.698 1.081 694 HB3 GLU 99 2HB GLU 99 -15.251 9.302 1.931 695 HG2 GLU 99 1HG GLU 99 -14.147 10.651 3.515 696 HG3 GLU 99 2HG GLU 99 -14.388 12.108 2.553 697 H GLN 100 H GLN 100 -14.803 10.253 -1.676 698 HA GLN 100 HA GLN 100 -15.037 13.072 -2.071 699 HB2 GLN 100 1HB GLN 100 -12.553 12.591 -2.384 700 HB3 GLN 100 2HB GLN 100 -13.011 11.694 -3.826 701 HG2 GLN 100 1HG GLN 100 -13.998 13.702 -4.779 702 HG3 GLN 100 2HG GLN 100 -13.580 14.607 -3.324 703 HE21 GLN 100 1HE2 GLN 100 -12.350 16.052 -4.564 704 HE22 GLN 100 2HE2 GLN 100 -10.789 15.624 -5.167 705 H SER 101 H SER 101 -16.901 13.174 -3.119 706 HA SER 101 HA SER 101 -18.638 12.682 -4.508 707 HB2 SER 101 1HB SER 101 -16.465 11.683 -6.361 708 HB3 SER 101 2HB SER 101 -18.073 12.243 -6.821 709 HG SER 101 HG SER 101 -15.814 13.686 -6.154 710 H GLY 102 H GLY 102 -18.112 10.711 -2.592 711 HA2 GLY 102 1HA GLY 102 -17.770 8.117 -3.239 712 HA3 GLY 102 2HA GLY 102 -19.028 8.634 -2.126 713 HA PRO 103 HA PRO 103 -20.677 6.823 -6.259 714 HB2 PRO 103 1HB PRO 103 -20.979 4.216 -5.565 715 HB3 PRO 103 2HB PRO 103 -19.517 4.842 -6.336 716 HG2 PRO 103 1HG PRO 103 -20.038 4.272 -3.444 717 HG3 PRO 103 2HG PRO 103 -18.596 3.915 -4.413 718 HD2 PRO 103 1HD PRO 103 -18.735 6.037 -2.736 719 HD3 PRO 103 2HD PRO 103 -17.792 6.068 -4.240 720 H SER 104 H SER 104 -22.851 6.687 -6.543 721 HA SER 104 HA SER 104 -24.669 7.501 -4.725 722 HB2 SER 104 1HB SER 104 -26.415 6.406 -6.077 723 HB3 SER 104 2HB SER 104 -25.205 7.182 -7.098 724 HG SER 104 HG SER 104 -24.858 5.308 -7.954 725 H SER 105 H SER 105 -25.449 6.782 -2.863 726 HA SER 105 HA SER 105 -25.249 3.899 -2.281 727 HB2 SER 105 1HB SER 105 -23.900 5.729 -0.924 728 HB3 SER 105 2HB SER 105 -25.439 5.919 -0.084 729 HG SER 105 HG SER 105 -23.637 4.125 0.408 730 H GLY 106 H GLY 106 -27.126 2.876 -2.140 731 HA2 GLY 106 1HA GLY 106 -29.251 2.595 -1.041 732 HA3 GLY 106 2HA GLY 106 -29.453 4.341 -1.080 Start of MODEL 4 1 H1 GLY 1 H GLY 1 11.729 -22.557 10.489 2 HA2 GLY 1 1HA GLY 1 12.826 -23.931 12.497 3 HA3 GLY 1 2HA GLY 1 11.417 -24.924 12.153 4 H SER 2 H SER 2 14.404 -25.321 11.843 5 HA SER 2 HA SER 2 15.919 -26.085 10.294 6 HB2 SER 2 1HB SER 2 13.405 -27.565 9.487 7 HB3 SER 2 2HB SER 2 15.038 -28.022 9.004 8 HG SER 2 HG SER 2 13.923 -28.000 11.605 9 H SER 3 H SER 3 15.254 -23.632 9.476 10 HA SER 3 HA SER 3 14.437 -23.786 6.673 11 HB2 SER 3 1HB SER 3 13.385 -22.041 8.019 12 HB3 SER 3 2HB SER 3 14.966 -21.393 8.453 13 HG SER 3 HG SER 3 14.165 -21.632 5.757 14 H GLY 4 H GLY 4 15.880 -23.860 5.087 15 HA2 GLY 4 1HA GLY 4 18.695 -23.576 5.674 16 HA3 GLY 4 2HA GLY 4 17.990 -24.044 4.134 17 H SER 5 H SER 5 17.908 -22.583 2.537 18 HA SER 5 HA SER 5 19.288 -20.138 2.779 19 HB2 SER 5 1HB SER 5 18.866 -21.574 0.672 20 HB3 SER 5 2HB SER 5 17.327 -20.718 0.568 21 HG SER 5 HG SER 5 18.457 -18.781 0.411 22 H SER 6 H SER 6 18.564 -18.007 2.756 23 HA SER 6 HA SER 6 15.699 -17.555 3.179 24 HB2 SER 6 1HB SER 6 16.853 -17.740 5.402 25 HB3 SER 6 2HB SER 6 17.827 -16.340 4.954 26 HG SER 6 HG SER 6 15.515 -16.280 6.109 27 H GLY 7 H GLY 7 14.926 -15.710 2.286 28 HA2 GLY 7 1HA GLY 7 16.617 -14.305 0.448 29 HA3 GLY 7 2HA GLY 7 14.918 -13.978 0.760 30 HA PRO 8 HA PRO 8 17.309 -10.387 2.388 31 HB2 PRO 8 1HB PRO 8 15.545 -8.527 1.494 32 HB3 PRO 8 2HB PRO 8 16.848 -9.177 0.491 33 HG2 PRO 8 1HG PRO 8 13.952 -9.931 0.555 34 HG3 PRO 8 2HG PRO 8 15.014 -9.690 -0.844 35 HD2 PRO 8 1HD PRO 8 14.393 -12.148 0.108 36 HD3 PRO 8 2HD PRO 8 15.959 -11.783 -0.645 37 H LYS 9 H LYS 9 16.431 -8.548 3.778 38 HA LYS 9 HA LYS 9 14.544 -9.693 5.685 39 HB2 LYS 9 1HB LYS 9 16.323 -7.254 5.866 40 HB3 LYS 9 2HB LYS 9 15.290 -7.842 7.162 41 HG2 LYS 9 1HG LYS 9 17.289 -9.693 5.962 42 HG3 LYS 9 2HG LYS 9 17.833 -8.447 7.088 43 HD2 LYS 9 1HD LYS 9 17.417 -10.263 8.478 44 HD3 LYS 9 2HD LYS 9 15.931 -9.320 8.607 45 HE2 LYS 9 1HE LYS 9 14.707 -10.832 7.387 46 HE3 LYS 9 2HE LYS 9 16.115 -11.424 6.507 47 HZ1 LYS 9 1HZ LYS 9 16.326 -13.065 7.957 48 HZ2 LYS 9 2HZ LYS 9 14.907 -12.563 8.729 49 HZ3 LYS 9 3HZ LYS 9 16.407 -11.983 9.256 50 HA PRO 10 HA PRO 10 11.151 -7.123 4.607 51 HB2 PRO 10 1HB PRO 10 9.988 -6.752 7.031 52 HB3 PRO 10 2HB PRO 10 9.929 -8.290 6.163 53 HG2 PRO 10 1HG PRO 10 11.728 -7.447 8.402 54 HG3 PRO 10 2HG PRO 10 10.888 -8.990 8.162 55 HD2 PRO 10 1HD PRO 10 13.513 -8.655 7.586 56 HD3 PRO 10 2HD PRO 10 12.468 -9.763 6.672 57 HA PRO 11 HA PRO 11 12.378 -2.921 5.189 58 HB2 PRO 11 1HB PRO 11 10.074 -1.706 4.426 59 HB3 PRO 11 2HB PRO 11 11.183 -2.468 3.280 60 HG2 PRO 11 1HG PRO 11 8.647 -3.537 4.456 61 HG3 PRO 11 2HG PRO 11 9.229 -3.627 2.784 62 HD2 PRO 11 1HD PRO 11 9.441 -5.699 4.514 63 HD3 PRO 11 2HD PRO 11 10.636 -5.396 3.237 64 H ILE 12 H ILE 12 12.093 -1.169 6.590 65 HA ILE 12 HA ILE 12 10.114 -1.579 8.736 66 HB ILE 12 HB ILE 12 11.664 -0.698 10.349 67 HG12 ILE 12 1HG1 ILE 12 13.677 -0.454 8.104 68 HG13 ILE 12 2HG1 ILE 12 12.780 0.901 8.781 69 HG21 ILE 12 1HG2 ILE 12 12.484 -2.742 10.607 70 HG22 ILE 12 2HG2 ILE 12 12.048 -3.109 8.939 71 HG23 ILE 12 3HG2 ILE 12 13.647 -2.466 9.311 72 HD11 ILE 12 1HD1 ILE 12 13.837 -0.104 11.026 73 HD12 ILE 12 2HD1 ILE 12 15.075 -0.586 9.865 74 HD13 ILE 12 3HD1 ILE 12 14.634 1.113 10.030 75 H ASP 13 H ASP 13 10.013 0.593 10.094 76 HA ASP 13 HA ASP 13 9.256 2.737 10.175 77 HB2 ASP 13 1HB ASP 13 11.638 2.977 9.071 78 HB3 ASP 13 2HB ASP 13 10.700 3.422 7.647 79 H LEU 14 H LEU 14 7.727 0.761 8.750 80 HA LEU 14 HA LEU 14 6.656 1.945 6.373 81 HB2 LEU 14 1HB LEU 14 6.693 -0.551 7.215 82 HB3 LEU 14 2HB LEU 14 5.155 -0.092 7.943 83 HG LEU 14 HG LEU 14 4.349 0.556 5.677 84 HD11 LEU 14 1HD1 LEU 14 5.882 0.859 4.096 85 HD12 LEU 14 2HD1 LEU 14 6.012 -0.897 4.007 86 HD13 LEU 14 3HD1 LEU 14 7.119 0.017 5.031 87 HD21 LEU 14 1HD2 LEU 14 3.880 -1.650 6.710 88 HD22 LEU 14 2HD2 LEU 14 5.290 -2.302 5.875 89 HD23 LEU 14 3HD2 LEU 14 3.918 -1.693 4.947 90 H VAL 15 H VAL 15 5.522 3.769 6.462 91 HA VAL 15 HA VAL 15 3.205 3.903 8.216 92 HB VAL 15 HB VAL 15 4.874 6.366 8.177 93 HG11 VAL 15 1HG1 VAL 15 3.908 6.181 10.652 94 HG12 VAL 15 2HG1 VAL 15 2.955 6.815 9.309 95 HG13 VAL 15 3HG1 VAL 15 2.743 5.143 9.832 96 HG21 VAL 15 1HG2 VAL 15 6.560 4.806 8.787 97 HG22 VAL 15 2HG2 VAL 15 6.010 5.572 10.277 98 HG23 VAL 15 3HG2 VAL 15 5.464 3.946 9.868 99 H VAL 16 H VAL 16 1.726 5.640 7.633 100 HA VAL 16 HA VAL 16 1.877 6.220 4.763 101 HB VAL 16 HB VAL 16 -0.517 6.579 6.562 102 HG11 VAL 16 1HG1 VAL 16 -1.785 6.769 4.606 103 HG12 VAL 16 2HG1 VAL 16 -0.336 7.721 4.276 104 HG13 VAL 16 3HG1 VAL 16 -0.500 6.100 3.600 105 HG21 VAL 16 1HG2 VAL 16 0.718 4.148 5.726 106 HG22 VAL 16 2HG2 VAL 16 -0.758 4.373 6.665 107 HG23 VAL 16 3HG2 VAL 16 -0.834 4.314 4.904 108 H THR 17 H THR 17 2.009 8.240 3.972 109 HA THR 17 HA THR 17 2.067 10.450 5.920 110 HB THR 17 HB THR 17 4.220 10.048 4.785 111 HG1 THR 17 1HG THR 17 3.429 12.228 5.348 112 HG21 THR 17 1HG2 THR 17 4.508 10.301 2.446 113 HG22 THR 17 2HG2 THR 17 2.863 10.902 2.235 114 HG23 THR 17 3HG2 THR 17 3.138 9.210 2.651 115 H GLU 18 H GLU 18 1.179 9.669 2.563 116 HA GLU 18 HA GLU 18 -0.820 11.830 2.691 117 HB2 GLU 18 1HB GLU 18 0.898 10.874 0.418 118 HB3 GLU 18 2HB GLU 18 -0.612 11.722 0.114 119 HG2 GLU 18 1HG GLU 18 0.234 13.604 1.494 120 HG3 GLU 18 2HG GLU 18 1.779 12.764 1.612 121 H THR 19 H THR 19 -2.883 11.417 1.963 122 HA THR 19 HA THR 19 -3.487 8.727 0.974 123 HB THR 19 HB THR 19 -5.576 8.880 2.561 124 HG1 THR 19 1HG THR 19 -3.623 10.462 3.910 125 HG21 THR 19 1HG2 THR 19 -4.595 7.264 3.833 126 HG22 THR 19 2HG2 THR 19 -3.118 8.197 4.075 127 HG23 THR 19 3HG2 THR 19 -3.388 7.350 2.552 128 H THR 20 H THR 20 -4.876 8.769 -0.671 129 HA THR 20 HA THR 20 -6.479 11.211 -1.071 130 HB THR 20 HB THR 20 -5.901 9.416 -3.374 131 HG1 THR 20 1HG THR 20 -3.906 10.778 -3.622 132 HG21 THR 20 1HG2 THR 20 -6.892 11.149 -4.371 133 HG22 THR 20 2HG2 THR 20 -5.460 12.108 -3.993 134 HG23 THR 20 3HG2 THR 20 -6.835 12.103 -2.889 135 H ALA 21 H ALA 21 -8.434 10.783 -2.528 136 HA ALA 21 HA ALA 21 -10.142 8.954 -1.226 137 HB1 ALA 21 1HB ALA 21 -11.499 9.512 -3.494 138 HB2 ALA 21 2HB ALA 21 -11.437 10.580 -2.090 139 HB3 ALA 21 3HB ALA 21 -10.359 10.858 -3.458 140 H THR 22 H THR 22 -8.264 8.767 -4.184 141 HA THR 22 HA THR 22 -9.032 5.934 -4.417 142 HB THR 22 HB THR 22 -9.071 6.042 -6.803 143 HG1 THR 22 1HG THR 22 -7.381 7.626 -7.022 144 HG21 THR 22 1HG2 THR 22 -10.569 8.428 -5.711 145 HG22 THR 22 2HG2 THR 22 -11.136 6.758 -5.688 146 HG23 THR 22 3HG2 THR 22 -10.913 7.593 -7.225 147 H SER 23 H SER 23 -6.697 7.407 -3.230 148 HA SER 23 HA SER 23 -4.653 5.694 -4.329 149 HB2 SER 23 1HB SER 23 -4.023 8.638 -4.295 150 HB3 SER 23 2HB SER 23 -3.146 7.332 -5.092 151 HG SER 23 HG SER 23 -4.443 8.658 -6.514 152 H VAL 24 H VAL 24 -2.565 5.957 -3.100 153 HA VAL 24 HA VAL 24 -2.746 7.235 -0.512 154 HB VAL 24 HB VAL 24 -2.429 4.234 -0.620 155 HG11 VAL 24 1HG1 VAL 24 -3.044 4.890 1.944 156 HG12 VAL 24 2HG1 VAL 24 -1.405 4.655 1.335 157 HG13 VAL 24 3HG1 VAL 24 -2.079 6.281 1.452 158 HG21 VAL 24 1HG2 VAL 24 -4.646 4.201 0.528 159 HG22 VAL 24 2HG2 VAL 24 -4.809 5.916 0.152 160 HG23 VAL 24 3HG2 VAL 24 -4.710 4.733 -1.152 161 H THR 25 H THR 25 -0.749 7.373 0.565 162 HA THR 25 HA THR 25 1.569 6.617 -1.092 163 HB THR 25 HB THR 25 1.330 8.961 0.805 164 HG1 THR 25 1HG THR 25 0.284 9.594 -0.991 165 HG21 THR 25 1HG2 THR 25 3.580 8.071 -1.002 166 HG22 THR 25 2HG2 THR 25 3.600 8.139 0.760 167 HG23 THR 25 3HG2 THR 25 3.512 9.629 -0.180 168 H LEU 26 H LEU 26 3.206 5.496 -0.179 169 HA LEU 26 HA LEU 26 3.082 5.017 2.725 170 HB2 LEU 26 1HB LEU 26 2.348 3.127 1.083 171 HB3 LEU 26 2HB LEU 26 4.082 2.932 0.832 172 HG LEU 26 HG LEU 26 4.277 2.616 3.336 173 HD11 LEU 26 1HD1 LEU 26 1.283 2.398 3.072 174 HD12 LEU 26 2HD1 LEU 26 2.182 3.570 4.035 175 HD13 LEU 26 3HD1 LEU 26 2.213 1.862 4.471 176 HD21 LEU 26 1HD2 LEU 26 4.550 0.674 2.114 177 HD22 LEU 26 2HD2 LEU 26 2.906 0.717 1.477 178 HD23 LEU 26 3HD2 LEU 26 3.189 0.264 3.159 179 H THR 27 H THR 27 4.979 5.071 3.826 180 HA THR 27 HA THR 27 7.442 5.468 2.257 181 HB THR 27 HB THR 27 8.206 7.012 4.094 182 HG1 THR 27 1HG THR 27 6.936 7.120 5.776 183 HG21 THR 27 1HG2 THR 27 6.608 7.521 1.862 184 HG22 THR 27 2HG2 THR 27 7.608 8.680 2.737 185 HG23 THR 27 3HG2 THR 27 5.907 8.489 3.158 186 H TRP 28 H TRP 28 9.250 4.435 2.958 187 HA TRP 28 HA TRP 28 9.350 3.235 5.592 188 HB2 TRP 28 1HB TRP 28 9.636 0.959 4.831 189 HB3 TRP 28 2HB TRP 28 8.108 1.576 4.209 190 HD1 TRP 28 HD TRP 28 11.530 0.361 3.077 191 HE1 TRP 28 1HE TRP 28 11.514 0.082 0.519 192 HE3 TRP 28 3HE TRP 28 7.011 2.523 2.053 193 HZ2 TRP 28 2HZ TRP 28 9.811 0.697 -1.647 194 HZ3 TRP 28 3HZ TRP 28 6.263 2.638 -0.288 195 HH2 TRP 28 HH TRP 28 7.636 1.743 -2.099 196 H ASP 29 H ASP 29 11.466 2.044 5.900 197 HA ASP 29 HA ASP 29 13.579 3.553 4.531 198 HB2 ASP 29 1HB ASP 29 13.302 2.364 7.251 199 HB3 ASP 29 2HB ASP 29 14.917 2.457 6.553 200 H SER 30 H SER 30 15.572 2.453 3.983 201 HA SER 30 HA SER 30 15.276 0.272 2.352 202 HB2 SER 30 1HB SER 30 17.732 1.170 3.871 203 HB3 SER 30 2HB SER 30 17.761 -0.040 2.589 204 HG SER 30 HG SER 30 16.740 2.584 2.253 205 H GLY 31 H GLY 31 16.446 0.236 5.718 206 HA2 GLY 31 1HA GLY 31 16.189 -1.402 7.331 207 HA3 GLY 31 2HA GLY 31 15.218 -2.319 6.189 208 H ASN 32 H ASN 32 16.987 -2.671 4.108 209 HA ASN 32 HA ASN 32 18.778 -4.637 5.275 210 HB2 ASN 32 1HB ASN 32 17.854 -4.044 2.472 211 HB3 ASN 32 2HB ASN 32 19.199 -5.140 2.775 212 HD21 ASN 32 1HD2 ASN 32 15.783 -4.615 3.163 213 HD22 ASN 32 2HD2 ASN 32 15.372 -6.249 3.546 214 H SER 33 H SER 33 21.014 -4.828 4.551 215 HA SER 33 HA SER 33 22.249 -2.179 4.284 216 HB2 SER 33 1HB SER 33 22.802 -3.869 6.193 217 HB3 SER 33 2HB SER 33 23.768 -4.681 4.960 218 HG SER 33 HG SER 33 24.881 -2.691 4.658 219 H GLU 34 H GLU 34 21.724 -5.124 2.614 220 HA GLU 34 HA GLU 34 23.903 -4.657 0.732 221 HB2 GLU 34 1HB GLU 34 23.563 -6.817 -0.052 222 HB3 GLU 34 2HB GLU 34 23.150 -6.964 1.650 223 HG2 GLU 34 1HG GLU 34 20.780 -6.795 1.096 224 HG3 GLU 34 2HG GLU 34 21.190 -6.639 -0.611 225 HA PRO 35 HA PRO 35 21.484 -2.621 -2.313 226 HB2 PRO 35 1HB PRO 35 22.652 -3.524 -4.592 227 HB3 PRO 35 2HB PRO 35 23.430 -2.364 -3.508 228 HG2 PRO 35 1HG PRO 35 23.841 -5.321 -3.727 229 HG3 PRO 35 2HG PRO 35 25.047 -4.034 -3.542 230 HD2 PRO 35 1HD PRO 35 24.213 -5.559 -1.466 231 HD3 PRO 35 2HD PRO 35 24.700 -3.863 -1.269 232 H VAL 36 H VAL 36 19.479 -3.699 -1.907 233 HA VAL 36 HA VAL 36 18.812 -6.209 -3.044 234 HB VAL 36 HB VAL 36 16.980 -3.966 -2.178 235 HG11 VAL 36 1HG1 VAL 36 16.480 -6.813 -2.972 236 HG12 VAL 36 2HG1 VAL 36 15.390 -5.967 -1.872 237 HG13 VAL 36 3HG1 VAL 36 15.653 -5.349 -3.503 238 HG21 VAL 36 1HG2 VAL 36 17.333 -4.570 -0.064 239 HG22 VAL 36 2HG2 VAL 36 17.111 -6.278 -0.446 240 HG23 VAL 36 3HG2 VAL 36 18.696 -5.529 -0.643 241 H THR 37 H THR 37 17.190 -6.574 -4.720 242 HA THR 37 HA THR 37 17.804 -5.084 -7.088 243 HB THR 37 HB THR 37 15.789 -7.294 -6.644 244 HG1 THR 37 1HG THR 37 17.409 -8.600 -7.516 245 HG21 THR 37 1HG2 THR 37 16.911 -6.530 -9.311 246 HG22 THR 37 2HG2 THR 37 15.524 -5.657 -8.658 247 HG23 THR 37 3HG2 THR 37 15.424 -7.397 -8.929 248 H TYR 38 H TYR 38 14.761 -5.702 -5.331 249 HA TYR 38 HA TYR 38 13.858 -3.019 -5.700 250 HB2 TYR 38 1HB TYR 38 12.076 -3.347 -7.222 251 HB3 TYR 38 2HB TYR 38 13.471 -4.120 -7.966 252 HD1 TYR 38 1HD TYR 38 10.267 -4.711 -6.254 253 HD2 TYR 38 2HD TYR 38 13.536 -6.495 -8.311 254 HE1 TYR 38 1HE TYR 38 8.990 -6.804 -6.456 255 HE2 TYR 38 2HE TYR 38 12.268 -8.592 -8.519 256 HH TYR 38 HH TYR 38 9.307 -9.125 -6.826 257 H TYR 39 H TYR 39 11.620 -2.723 -4.847 258 HA TYR 39 HA TYR 39 11.059 -4.727 -2.761 259 HB2 TYR 39 1HB TYR 39 10.717 -1.726 -2.720 260 HB3 TYR 39 2HB TYR 39 10.053 -2.795 -1.489 261 HD1 TYR 39 1HD TYR 39 13.305 -2.026 -3.163 262 HD2 TYR 39 2HD TYR 39 11.311 -3.203 0.407 263 HE1 TYR 39 1HE TYR 39 15.443 -1.942 -1.948 264 HE2 TYR 39 2HE TYR 39 13.443 -3.121 1.631 265 HH TYR 39 HH TYR 39 16.366 -1.878 0.153 266 H GLY 40 H GLY 40 9.186 -5.760 -2.927 267 HA2 GLY 40 1HA GLY 40 7.226 -4.895 -4.876 268 HA3 GLY 40 2HA GLY 40 7.185 -6.382 -3.940 269 H ILE 41 H ILE 41 4.864 -5.065 -4.269 270 HA ILE 41 HA ILE 41 4.311 -4.133 -1.552 271 HB ILE 41 HB ILE 41 3.440 -2.650 -4.034 272 HG12 ILE 41 1HG1 ILE 41 5.165 -1.774 -1.707 273 HG13 ILE 41 2HG1 ILE 41 5.764 -2.207 -3.305 274 HG21 ILE 41 1HG2 ILE 41 2.052 -2.940 -1.647 275 HG22 ILE 41 2HG2 ILE 41 2.846 -1.373 -1.511 276 HG23 ILE 41 3HG2 ILE 41 1.787 -1.708 -2.880 277 HD11 ILE 41 1HD1 ILE 41 4.982 0.312 -2.401 278 HD12 ILE 41 2HD1 ILE 41 5.400 -0.158 -4.049 279 HD13 ILE 41 3HD1 ILE 41 3.719 -0.206 -3.517 280 H GLN 42 H GLN 42 2.436 -4.887 -0.742 281 HA GLN 42 HA GLN 42 0.505 -6.094 -2.603 282 HB2 GLN 42 1HB GLN 42 1.701 -7.293 -0.117 283 HB3 GLN 42 2HB GLN 42 0.149 -7.835 -0.741 284 HG2 GLN 42 1HG GLN 42 1.365 -8.221 -2.948 285 HG3 GLN 42 2HG GLN 42 2.852 -8.045 -2.017 286 HE21 GLN 42 1HE2 GLN 42 3.646 -9.788 -1.068 287 HE22 GLN 42 2HE2 GLN 42 2.803 -11.276 -0.821 288 H TYR 43 H TYR 43 -1.529 -5.459 -2.296 289 HA TYR 43 HA TYR 43 -2.400 -4.578 0.347 290 HB2 TYR 43 1HB TYR 43 -3.414 -2.517 -0.616 291 HB3 TYR 43 2HB TYR 43 -1.654 -2.512 -0.662 292 HD1 TYR 43 1HD TYR 43 -0.508 -3.080 -2.854 293 HD2 TYR 43 2HD TYR 43 -4.671 -2.246 -2.584 294 HE1 TYR 43 1HE TYR 43 -0.567 -2.627 -5.270 295 HE2 TYR 43 2HE TYR 43 -4.743 -1.793 -5.000 296 HH TYR 43 HH TYR 43 -3.584 -2.081 -6.963 297 H ARG 44 H ARG 44 -4.709 -4.469 0.573 298 HA ARG 44 HA ARG 44 -6.491 -5.193 -1.504 299 HB2 ARG 44 1HB ARG 44 -5.490 -7.383 -1.328 300 HB3 ARG 44 2HB ARG 44 -5.681 -7.376 0.421 301 HG2 ARG 44 1HG ARG 44 -7.922 -7.825 0.319 302 HG3 ARG 44 2HG ARG 44 -8.106 -7.097 -1.278 303 HD2 ARG 44 1HD ARG 44 -6.513 -9.092 -1.970 304 HD3 ARG 44 2HD ARG 44 -7.194 -9.823 -0.517 305 HE ARG 44 HE ARG 44 -9.174 -10.096 -1.629 306 HH11 ARG 44 2HH1 ARG 44 -7.200 -7.814 -3.365 307 HH12 ARG 44 1HH1 ARG 44 -8.264 -7.734 -4.731 308 HH21 ARG 44 2HH2 ARG 44 -10.582 -10.000 -3.421 309 HH22 ARG 44 1HH2 ARG 44 -10.188 -8.978 -4.761 310 H ALA 45 H ALA 45 -8.668 -5.173 -0.837 311 HA ALA 45 HA ALA 45 -9.371 -3.431 1.162 312 HB1 ALA 45 1HB ALA 45 -10.740 -5.159 -0.645 313 HB2 ALA 45 2HB ALA 45 -11.510 -5.261 0.939 314 HB3 ALA 45 3HB ALA 45 -11.324 -3.696 0.147 315 H ALA 46 H ALA 46 -9.447 -3.505 3.310 316 HA ALA 46 HA ALA 46 -8.615 -5.806 4.748 317 HB1 ALA 46 1HB ALA 46 -9.452 -4.334 6.738 318 HB2 ALA 46 2HB ALA 46 -8.023 -3.858 5.819 319 HB3 ALA 46 3HB ALA 46 -9.575 -3.083 5.500 320 H GLY 47 H GLY 47 -10.225 -7.338 3.933 321 HA2 GLY 47 1HA GLY 47 -12.122 -8.075 5.773 322 HA3 GLY 47 2HA GLY 47 -12.983 -7.036 4.647 323 H THR 48 H THR 48 -12.697 -7.627 2.293 324 HA THR 48 HA THR 48 -13.825 -9.931 1.590 325 HB THR 48 HB THR 48 -13.360 -8.432 -0.168 326 HG1 THR 48 1HG THR 48 -13.101 -10.798 -0.617 327 HG21 THR 48 1HG2 THR 48 -11.391 -7.390 -0.574 328 HG22 THR 48 2HG2 THR 48 -10.438 -8.840 -0.259 329 HG23 THR 48 3HG2 THR 48 -11.038 -7.870 1.085 330 H GLU 49 H GLU 49 -10.388 -9.578 2.326 331 HA GLU 49 HA GLU 49 -8.756 -11.095 2.784 332 HB2 GLU 49 1HB GLU 49 -10.591 -11.831 4.403 333 HB3 GLU 49 2HB GLU 49 -10.948 -13.110 3.250 334 HG2 GLU 49 1HG GLU 49 -8.486 -13.742 3.450 335 HG3 GLU 49 2HG GLU 49 -8.462 -12.696 4.869 336 H GLY 50 H GLY 50 -9.386 -10.771 0.096 337 HA2 GLY 50 1HA GLY 50 -9.296 -13.498 -1.010 338 HA3 GLY 50 2HA GLY 50 -9.705 -12.047 -1.913 339 HA PRO 51 HA PRO 51 -5.362 -13.073 -3.017 340 HB2 PRO 51 1HB PRO 51 -5.629 -12.349 -5.620 341 HB3 PRO 51 2HB PRO 51 -6.067 -13.953 -5.019 342 HG2 PRO 51 1HG PRO 51 -7.825 -11.596 -5.585 343 HG3 PRO 51 2HG PRO 51 -8.091 -13.307 -5.966 344 HD2 PRO 51 1HD PRO 51 -9.254 -12.089 -3.846 345 HD3 PRO 51 2HD PRO 51 -8.794 -13.804 -3.828 346 H PHE 52 H PHE 52 -4.058 -11.529 -2.243 347 HA PHE 52 HA PHE 52 -4.604 -8.741 -2.501 348 HB2 PHE 52 1HB PHE 52 -2.187 -10.262 -1.519 349 HB3 PHE 52 2HB PHE 52 -2.284 -8.504 -1.513 350 HD1 PHE 52 2HD PHE 52 -4.199 -11.484 -0.350 351 HD2 PHE 52 1HD PHE 52 -3.051 -7.450 0.379 352 HE1 PHE 52 2HE PHE 52 -5.332 -11.560 1.833 353 HE2 PHE 52 1HE PHE 52 -4.182 -7.520 2.564 354 HZ PHE 52 HZ PHE 52 -5.325 -9.576 3.292 355 H GLN 53 H GLN 53 -3.600 -7.200 -3.765 356 HA GLN 53 HA GLN 53 -2.830 -7.956 -6.356 357 HB2 GLN 53 1HB GLN 53 -2.411 -5.345 -4.892 358 HB3 GLN 53 2HB GLN 53 -2.162 -5.571 -6.619 359 HG2 GLN 53 1HG GLN 53 -4.791 -6.136 -5.288 360 HG3 GLN 53 2HG GLN 53 -4.356 -4.539 -5.894 361 HE21 GLN 53 1HE2 GLN 53 -5.891 -4.458 -7.479 362 HE22 GLN 53 2HE2 GLN 53 -5.870 -5.475 -8.875 363 H GLU 54 H GLU 54 -0.691 -6.958 -7.307 364 HA GLU 54 HA GLU 54 1.594 -7.384 -5.553 365 HB2 GLU 54 1HB GLU 54 0.996 -9.613 -6.534 366 HB3 GLU 54 2HB GLU 54 1.304 -8.937 -8.128 367 HG2 GLU 54 1HG GLU 54 3.564 -8.880 -7.826 368 HG3 GLU 54 2HG GLU 54 3.438 -8.729 -6.075 369 H VAL 55 H VAL 55 3.111 -5.916 -5.955 370 HA VAL 55 HA VAL 55 3.274 -4.747 -8.652 371 HB VAL 55 HB VAL 55 3.424 -3.221 -6.048 372 HG11 VAL 55 1HG1 VAL 55 3.616 -1.229 -7.529 373 HG12 VAL 55 2HG1 VAL 55 5.016 -2.302 -7.591 374 HG13 VAL 55 3HG1 VAL 55 3.830 -2.321 -8.897 375 HG21 VAL 55 1HG2 VAL 55 1.244 -3.865 -7.801 376 HG22 VAL 55 2HG2 VAL 55 1.224 -2.986 -6.272 377 HG23 VAL 55 3HG2 VAL 55 1.511 -2.121 -7.782 378 H ASP 56 H ASP 56 5.237 -4.926 -9.491 379 HA ASP 56 HA ASP 56 7.551 -5.010 -7.671 380 HB2 ASP 56 1HB ASP 56 8.605 -6.684 -9.065 381 HB3 ASP 56 2HB ASP 56 7.015 -7.264 -8.578 382 H GLY 57 H GLY 57 9.349 -3.874 -8.279 383 HA2 GLY 57 1HA GLY 57 10.665 -2.927 -10.148 384 HA3 GLY 57 2HA GLY 57 9.137 -2.376 -10.818 385 H VAL 58 H VAL 58 9.675 -2.196 -7.398 386 HA VAL 58 HA VAL 58 9.688 0.730 -7.600 387 HB VAL 58 HB VAL 58 9.211 -0.957 -5.141 388 HG11 VAL 58 1HG1 VAL 58 8.991 1.971 -5.749 389 HG12 VAL 58 2HG1 VAL 58 8.059 1.235 -4.443 390 HG13 VAL 58 3HG1 VAL 58 9.822 1.172 -4.414 391 HG21 VAL 58 1HG2 VAL 58 6.822 -0.447 -5.485 392 HG22 VAL 58 2HG2 VAL 58 7.220 0.282 -7.041 393 HG23 VAL 58 3HG2 VAL 58 7.493 -1.441 -6.778 394 H ALA 59 H ALA 59 11.840 1.181 -7.971 395 HA ALA 59 HA ALA 59 13.840 0.129 -6.123 396 HB1 ALA 59 1HB ALA 59 13.891 1.361 -8.802 397 HB2 ALA 59 2HB ALA 59 15.258 1.735 -7.750 398 HB3 ALA 59 3HB ALA 59 14.870 0.057 -8.130 399 H THR 60 H THR 60 11.855 1.954 -5.112 400 HA THR 60 HA THR 60 13.649 4.096 -4.205 401 HB THR 60 HB THR 60 11.522 5.565 -4.112 402 HG1 THR 60 1HG THR 60 10.758 3.509 -5.918 403 HG21 THR 60 1HG2 THR 60 12.138 5.278 -6.953 404 HG22 THR 60 2HG2 THR 60 13.573 5.339 -5.930 405 HG23 THR 60 3HG2 THR 60 12.393 6.648 -5.873 406 H THR 61 H THR 61 12.742 5.200 -2.214 407 HA THR 61 HA THR 61 11.778 3.124 -0.392 408 HB THR 61 HB THR 61 12.413 4.783 1.400 409 HG1 THR 61 1HG THR 61 13.279 6.666 0.840 410 HG21 THR 61 1HG2 THR 61 14.235 3.500 1.431 411 HG22 THR 61 2HG2 THR 61 14.986 4.604 0.279 412 HG23 THR 61 3HG2 THR 61 14.097 3.196 -0.300 413 H ARG 62 H ARG 62 10.189 4.952 -2.332 414 HA ARG 62 HA ARG 62 7.965 5.329 -0.529 415 HB2 ARG 62 1HB ARG 62 9.194 7.445 -0.270 416 HB3 ARG 62 2HB ARG 62 9.134 7.691 -2.010 417 HG2 ARG 62 1HG ARG 62 6.732 7.892 -1.944 418 HG3 ARG 62 2HG ARG 62 6.722 7.518 -0.219 419 HD2 ARG 62 1HD ARG 62 6.572 9.827 -0.229 420 HD3 ARG 62 2HD ARG 62 8.302 9.559 -0.019 421 HE ARG 62 HE ARG 62 7.705 9.783 -2.763 422 HH11 ARG 62 2HH1 ARG 62 7.900 11.707 0.132 423 HH12 ARG 62 1HH1 ARG 62 8.288 13.170 -0.710 424 HH21 ARG 62 2HH2 ARG 62 8.215 11.703 -3.883 425 HH22 ARG 62 1HH2 ARG 62 8.466 13.167 -2.994 426 H TYR 63 H TYR 63 6.152 4.779 -1.548 427 HA TYR 63 HA TYR 63 5.917 5.232 -4.430 428 HB2 TYR 63 1HB TYR 63 6.721 2.952 -4.270 429 HB3 TYR 63 2HB TYR 63 5.492 2.563 -3.072 430 HD1 TYR 63 1HD TYR 63 6.024 3.436 -6.628 431 HD2 TYR 63 2HD TYR 63 3.306 1.922 -3.726 432 HE1 TYR 63 1HE TYR 63 4.500 2.739 -8.428 433 HE2 TYR 63 2HE TYR 63 1.775 1.220 -5.518 434 HH TYR 63 HH TYR 63 2.071 2.270 -8.705 435 H SER 64 H SER 64 3.719 5.121 -5.214 436 HA SER 64 HA SER 64 1.725 5.539 -3.084 437 HB2 SER 64 1HB SER 64 2.317 7.643 -4.249 438 HB3 SER 64 2HB SER 64 1.832 6.914 -5.780 439 HG SER 64 HG SER 64 -0.236 6.530 -4.410 440 H ILE 65 H ILE 65 -0.125 4.409 -3.206 441 HA ILE 65 HA ILE 65 -0.409 2.532 -5.432 442 HB ILE 65 HB ILE 65 -1.821 2.615 -2.763 443 HG12 ILE 65 1HG1 ILE 65 -0.438 0.336 -2.695 444 HG13 ILE 65 2HG1 ILE 65 0.607 1.229 -3.794 445 HG21 ILE 65 1HG2 ILE 65 -2.423 0.218 -3.495 446 HG22 ILE 65 2HG2 ILE 65 -3.337 1.563 -4.175 447 HG23 ILE 65 3HG2 ILE 65 -2.067 0.791 -5.125 448 HD11 ILE 65 1HD1 ILE 65 0.536 1.337 -0.989 449 HD12 ILE 65 2HD1 ILE 65 1.524 2.295 -2.093 450 HD13 ILE 65 3HD1 ILE 65 -0.053 2.893 -1.576 451 H GLY 66 H GLY 66 -2.317 2.313 -6.617 452 HA2 GLY 66 1HA GLY 66 -4.390 4.352 -6.203 453 HA3 GLY 66 2HA GLY 66 -3.596 4.265 -7.769 454 H GLY 67 H GLY 67 -6.381 3.939 -7.343 455 HA2 GLY 67 1HA GLY 67 -7.804 2.531 -8.638 456 HA3 GLY 67 2HA GLY 67 -6.669 1.211 -8.392 457 H LEU 68 H LEU 68 -7.728 3.275 -5.780 458 HA LEU 68 HA LEU 68 -9.158 0.972 -4.634 459 HB2 LEU 68 1HB LEU 68 -8.072 3.331 -3.119 460 HB3 LEU 68 2HB LEU 68 -8.624 1.787 -2.471 461 HG LEU 68 HG LEU 68 -6.178 2.093 -4.206 462 HD11 LEU 68 1HD1 LEU 68 -6.587 2.646 -1.369 463 HD12 LEU 68 2HD1 LEU 68 -5.252 3.089 -2.434 464 HD13 LEU 68 3HD1 LEU 68 -5.294 1.491 -1.690 465 HD21 LEU 68 1HD2 LEU 68 -6.312 -0.137 -2.358 466 HD22 LEU 68 2HD2 LEU 68 -5.982 -0.123 -4.091 467 HD23 LEU 68 3HD2 LEU 68 -7.648 -0.145 -3.510 468 H SER 69 H SER 69 -10.918 1.625 -3.053 469 HA SER 69 HA SER 69 -12.625 3.594 -4.380 470 HB2 SER 69 1HB SER 69 -13.694 1.478 -4.101 471 HB3 SER 69 2HB SER 69 -13.205 1.378 -2.410 472 HG SER 69 HG SER 69 -14.555 3.254 -2.062 473 HA PRO 70 HA PRO 70 -12.157 6.601 -1.204 474 HB2 PRO 70 1HB PRO 70 -14.509 7.925 -1.497 475 HB3 PRO 70 2HB PRO 70 -13.176 8.069 -2.649 476 HG2 PRO 70 1HG PRO 70 -15.650 6.392 -2.815 477 HG3 PRO 70 2HG PRO 70 -14.871 7.365 -4.077 478 HD2 PRO 70 1HD PRO 70 -14.564 4.680 -3.909 479 HD3 PRO 70 2HD PRO 70 -13.285 5.751 -4.517 480 H PHE 71 H PHE 71 -12.462 6.584 0.936 481 HA PHE 71 HA PHE 71 -13.416 6.283 2.987 482 HB2 PHE 71 1HB PHE 71 -15.516 7.110 1.607 483 HB3 PHE 71 2HB PHE 71 -16.033 5.440 1.819 484 HD1 PHE 71 2HD PHE 71 -14.221 7.740 4.118 485 HD2 PHE 71 1HD PHE 71 -17.733 5.453 3.375 486 HE1 PHE 71 2HE PHE 71 -15.049 8.287 6.369 487 HE2 PHE 71 1HE PHE 71 -18.567 5.997 5.625 488 HZ PHE 71 HZ PHE 71 -17.224 7.414 7.126 489 H SER 72 H SER 72 -11.983 4.234 1.796 490 HA SER 72 HA SER 72 -13.355 1.867 2.885 491 HB2 SER 72 1HB SER 72 -12.482 0.483 1.128 492 HB3 SER 72 2HB SER 72 -13.261 1.868 0.364 493 HG SER 72 HG SER 72 -11.220 2.791 0.068 494 H GLU 73 H GLU 73 -11.825 0.109 3.492 495 HA GLU 73 HA GLU 73 -9.355 1.269 4.600 496 HB2 GLU 73 1HB GLU 73 -11.299 0.289 6.086 497 HB3 GLU 73 2HB GLU 73 -10.557 -1.250 5.670 498 HG2 GLU 73 1HG GLU 73 -8.489 -0.606 6.668 499 HG3 GLU 73 2HG GLU 73 -9.059 1.046 6.904 500 H TYR 74 H TYR 74 -7.443 0.415 4.057 501 HA TYR 74 HA TYR 74 -7.372 -2.238 2.806 502 HB2 TYR 74 1HB TYR 74 -6.456 0.351 1.623 503 HB3 TYR 74 2HB TYR 74 -5.556 -1.117 1.257 504 HD1 TYR 74 1HD TYR 74 -8.827 0.555 0.935 505 HD2 TYR 74 2HD TYR 74 -6.444 -2.777 -0.215 506 HE1 TYR 74 1HE TYR 74 -10.463 -0.003 -0.814 507 HE2 TYR 74 2HE TYR 74 -8.073 -3.344 -1.968 508 HH TYR 74 HH TYR 74 -10.745 -1.228 -2.749 509 H ALA 75 H ALA 75 -5.342 -3.302 2.926 510 HA ALA 75 HA ALA 75 -3.596 -2.231 5.043 511 HB1 ALA 75 1HB ALA 75 -4.295 -4.182 5.973 512 HB2 ALA 75 2HB ALA 75 -4.560 -4.962 4.413 513 HB3 ALA 75 3HB ALA 75 -2.925 -4.803 5.053 514 H PHE 76 H PHE 76 -1.675 -1.539 4.399 515 HA PHE 76 HA PHE 76 -0.580 -2.537 1.866 516 HB2 PHE 76 1HB PHE 76 0.182 -0.084 3.464 517 HB3 PHE 76 2HB PHE 76 0.843 -0.535 1.896 518 HD1 PHE 76 1HD PHE 76 -0.558 -0.417 -0.119 519 HD2 PHE 76 2HD PHE 76 -1.953 0.950 3.663 520 HE1 PHE 76 1HE PHE 76 -2.362 0.827 -1.238 521 HE2 PHE 76 2HE PHE 76 -3.760 2.195 2.550 522 HZ PHE 76 HZ PHE 76 -3.967 2.134 0.097 523 H ARG 77 H ARG 77 1.499 -3.346 1.712 524 HA ARG 77 HA ARG 77 3.205 -3.493 4.035 525 HB2 ARG 77 1HB ARG 77 3.265 -5.898 4.205 526 HB3 ARG 77 2HB ARG 77 1.602 -5.358 4.388 527 HG2 ARG 77 1HG ARG 77 1.123 -5.988 2.091 528 HG3 ARG 77 2HG ARG 77 2.801 -6.483 1.866 529 HD2 ARG 77 1HD ARG 77 1.826 -8.504 2.334 530 HD3 ARG 77 2HD ARG 77 2.303 -7.993 3.953 531 HE ARG 77 HE ARG 77 -0.352 -7.174 3.248 532 HH11 ARG 77 2HH1 ARG 77 1.583 -9.783 4.500 533 HH12 ARG 77 1HH1 ARG 77 0.269 -10.520 5.356 534 HH21 ARG 77 2HH2 ARG 77 -2.090 -8.135 4.371 535 HH22 ARG 77 1HH2 ARG 77 -1.820 -9.582 5.281 536 H VAL 78 H VAL 78 5.256 -3.395 3.392 537 HA VAL 78 HA VAL 78 5.853 -3.942 0.569 538 HB VAL 78 HB VAL 78 7.565 -2.438 2.549 539 HG11 VAL 78 1HG1 VAL 78 7.694 -2.932 -0.401 540 HG12 VAL 78 2HG1 VAL 78 8.432 -1.491 0.303 541 HG13 VAL 78 3HG1 VAL 78 8.961 -3.094 0.815 542 HG21 VAL 78 1HG2 VAL 78 6.624 -0.427 1.877 543 HG22 VAL 78 2HG2 VAL 78 5.924 -1.125 0.416 544 HG23 VAL 78 3HG2 VAL 78 5.219 -1.487 1.992 545 H LEU 79 H LEU 79 7.997 -4.872 0.080 546 HA LEU 79 HA LEU 79 9.300 -6.415 2.140 547 HB2 LEU 79 1HB LEU 79 8.994 -8.555 0.808 548 HB3 LEU 79 2HB LEU 79 7.619 -7.991 1.756 549 HG LEU 79 HG LEU 79 6.889 -6.912 -0.524 550 HD11 LEU 79 1HD1 LEU 79 9.067 -8.754 -1.269 551 HD12 LEU 79 2HD1 LEU 79 8.452 -7.323 -2.096 552 HD13 LEU 79 3HD1 LEU 79 7.594 -8.858 -2.234 553 HD21 LEU 79 1HD2 LEU 79 6.357 -9.705 -0.847 554 HD22 LEU 79 2HD2 LEU 79 5.279 -8.421 -0.299 555 HD23 LEU 79 3HD2 LEU 79 6.288 -9.283 0.864 556 H ALA 80 H ALA 80 11.396 -6.774 1.659 557 HA ALA 80 HA ALA 80 12.480 -5.573 -0.705 558 HB1 ALA 80 1HB ALA 80 14.644 -6.645 0.292 559 HB2 ALA 80 2HB ALA 80 13.879 -5.274 1.096 560 HB3 ALA 80 3HB ALA 80 13.622 -6.909 1.705 561 H VAL 81 H VAL 81 13.493 -6.547 -2.436 562 HA VAL 81 HA VAL 81 13.491 -9.467 -2.593 563 HB VAL 81 HB VAL 81 12.307 -7.794 -4.807 564 HG11 VAL 81 1HG1 VAL 81 13.313 -10.391 -4.767 565 HG12 VAL 81 2HG1 VAL 81 11.559 -10.580 -4.705 566 HG13 VAL 81 3HG1 VAL 81 12.303 -9.662 -6.015 567 HG21 VAL 81 1HG2 VAL 81 11.068 -8.948 -2.388 568 HG22 VAL 81 2HG2 VAL 81 10.575 -7.567 -3.367 569 HG23 VAL 81 3HG2 VAL 81 10.209 -9.206 -3.906 570 H ASN 82 H ASN 82 15.317 -10.203 -3.464 571 HA ASN 82 HA ASN 82 16.801 -8.488 -5.329 572 HB2 ASN 82 1HB ASN 82 18.847 -8.749 -4.198 573 HB3 ASN 82 2HB ASN 82 17.688 -8.410 -2.915 574 HD21 ASN 82 1HD2 ASN 82 17.294 -9.920 -1.380 575 HD22 ASN 82 2HD2 ASN 82 18.123 -11.432 -1.281 576 H SER 83 H SER 83 18.872 -9.964 -6.017 577 HA SER 83 HA SER 83 18.144 -11.715 -7.888 578 HB2 SER 83 1HB SER 83 20.551 -11.613 -6.134 579 HB3 SER 83 2HB SER 83 20.339 -13.043 -7.145 580 HG SER 83 HG SER 83 21.401 -10.855 -7.916 581 H ILE 84 H ILE 84 18.747 -12.677 -4.514 582 HA ILE 84 HA ILE 84 18.169 -15.382 -4.751 583 HB ILE 84 HB ILE 84 17.508 -13.670 -2.355 584 HG12 ILE 84 1HG1 ILE 84 19.740 -13.152 -2.635 585 HG13 ILE 84 2HG1 ILE 84 19.873 -14.625 -1.680 586 HG21 ILE 84 1HG2 ILE 84 18.036 -15.792 -1.131 587 HG22 ILE 84 2HG2 ILE 84 16.580 -15.850 -2.123 588 HG23 ILE 84 3HG2 ILE 84 18.066 -16.609 -2.693 589 HD11 ILE 84 1HD1 ILE 84 20.091 -15.850 -3.891 590 HD12 ILE 84 2HD1 ILE 84 20.327 -14.261 -4.618 591 HD13 ILE 84 3HD1 ILE 84 21.450 -14.845 -3.390 592 H GLY 85 H GLY 85 15.945 -12.794 -3.690 593 HA2 GLY 85 1HA GLY 85 13.754 -13.365 -5.176 594 HA3 GLY 85 2HA GLY 85 13.670 -14.562 -3.891 595 H ARG 86 H ARG 86 11.589 -13.374 -3.539 596 HA ARG 86 HA ARG 86 11.853 -10.784 -2.243 597 HB2 ARG 86 1HB ARG 86 9.500 -10.643 -2.322 598 HB3 ARG 86 2HB ARG 86 9.962 -11.417 -3.832 599 HG2 ARG 86 1HG ARG 86 8.256 -12.783 -3.242 600 HG3 ARG 86 2HG ARG 86 9.564 -13.607 -2.391 601 HD2 ARG 86 1HD ARG 86 8.849 -12.913 -0.336 602 HD3 ARG 86 2HD ARG 86 8.137 -11.428 -0.966 603 HE ARG 86 HE ARG 86 6.783 -13.843 -0.488 604 HH11 ARG 86 2HH1 ARG 86 7.015 -11.321 -2.876 605 HH12 ARG 86 1HH1 ARG 86 5.390 -11.526 -3.441 606 HH21 ARG 86 2HH2 ARG 86 4.642 -14.123 -1.222 607 HH22 ARG 86 1HH2 ARG 86 4.040 -13.120 -2.498 608 H GLY 87 H GLY 87 11.827 -10.439 -0.100 609 HA2 GLY 87 1HA GLY 87 11.894 -12.758 1.648 610 HA3 GLY 87 2HA GLY 87 12.266 -11.100 2.097 611 HA PRO 88 HA PRO 88 8.111 -12.289 3.847 612 HB2 PRO 88 1HB PRO 88 8.685 -11.547 6.395 613 HB3 PRO 88 2HB PRO 88 9.033 -13.160 5.763 614 HG2 PRO 88 1HG PRO 88 10.870 -10.821 6.100 615 HG3 PRO 88 2HG PRO 88 11.159 -12.533 6.464 616 HD2 PRO 88 1HD PRO 88 12.083 -11.346 4.212 617 HD3 PRO 88 2HD PRO 88 11.605 -13.055 4.264 618 HA PRO 89 HA PRO 89 6.678 -8.124 3.575 619 HB2 PRO 89 1HB PRO 89 4.259 -8.427 4.771 620 HB3 PRO 89 2HB PRO 89 4.608 -9.023 3.144 621 HG2 PRO 89 1HG PRO 89 4.570 -10.514 5.740 622 HG3 PRO 89 2HG PRO 89 3.923 -10.999 4.161 623 HD2 PRO 89 1HD PRO 89 6.293 -11.906 5.106 624 HD3 PRO 89 2HD PRO 89 5.988 -11.653 3.375 625 H SER 90 H SER 90 6.289 -6.272 4.838 626 HA SER 90 HA SER 90 7.332 -6.463 7.548 627 HB2 SER 90 1HB SER 90 8.266 -4.736 6.103 628 HB3 SER 90 2HB SER 90 6.661 -4.058 5.834 629 HG SER 90 HG SER 90 7.509 -2.843 7.435 630 H GLU 91 H GLU 91 6.293 -5.019 9.229 631 HA GLU 91 HA GLU 91 3.886 -5.906 10.051 632 HB2 GLU 91 1HB GLU 91 3.610 -3.704 11.260 633 HB3 GLU 91 2HB GLU 91 5.143 -4.525 11.518 634 HG2 GLU 91 1HG GLU 91 6.065 -3.040 9.670 635 HG3 GLU 91 2HG GLU 91 4.587 -2.097 9.851 636 H ALA 92 H ALA 92 2.042 -6.070 8.965 637 HA ALA 92 HA ALA 92 1.286 -4.492 6.775 638 HB1 ALA 92 1HB ALA 92 -1.076 -5.457 7.469 639 HB2 ALA 92 2HB ALA 92 0.175 -6.484 6.767 640 HB3 ALA 92 3HB ALA 92 -0.083 -6.476 8.512 641 H VAL 93 H VAL 93 0.535 -2.486 6.673 642 HA VAL 93 HA VAL 93 -0.609 -1.285 9.105 643 HB VAL 93 HB VAL 93 -0.010 0.893 8.170 644 HG11 VAL 93 1HG1 VAL 93 1.610 -0.618 9.497 645 HG12 VAL 93 2HG1 VAL 93 2.458 -0.791 7.959 646 HG13 VAL 93 3HG1 VAL 93 2.255 0.806 8.681 647 HG21 VAL 93 1HG2 VAL 93 1.077 -0.731 5.876 648 HG22 VAL 93 2HG2 VAL 93 -0.203 0.481 5.820 649 HG23 VAL 93 3HG2 VAL 93 1.460 0.968 6.150 650 H ARG 94 H ARG 94 -2.655 -0.584 9.105 651 HA ARG 94 HA ARG 94 -4.175 -0.819 6.609 652 HB2 ARG 94 1HB ARG 94 -4.884 -0.985 9.510 653 HB3 ARG 94 2HB ARG 94 -6.126 -0.521 8.354 654 HG2 ARG 94 1HG ARG 94 -5.507 -2.625 7.074 655 HG3 ARG 94 2HG ARG 94 -4.600 -3.098 8.512 656 HD2 ARG 94 1HD ARG 94 -6.789 -2.629 9.783 657 HD3 ARG 94 2HD ARG 94 -7.553 -2.689 8.195 658 HE ARG 94 HE ARG 94 -5.987 -4.976 8.469 659 HH11 ARG 94 2HH1 ARG 94 -8.812 -3.544 9.913 660 HH12 ARG 94 1HH1 ARG 94 -9.522 -5.064 10.346 661 HH21 ARG 94 2HH2 ARG 94 -6.911 -6.984 9.034 662 HH22 ARG 94 1HH2 ARG 94 -8.439 -7.020 9.846 663 H ALA 95 H ALA 95 -4.685 0.957 5.526 664 HA ALA 95 HA ALA 95 -5.038 3.472 7.016 665 HB1 ALA 95 1HB ALA 95 -3.919 4.711 5.306 666 HB2 ALA 95 2HB ALA 95 -2.858 3.391 5.803 667 HB3 ALA 95 3HB ALA 95 -3.763 3.274 4.294 668 H ARG 96 H ARG 96 -6.980 4.336 6.733 669 HA ARG 96 HA ARG 96 -8.710 3.326 4.629 670 HB2 ARG 96 1HB ARG 96 -9.329 3.768 7.127 671 HB3 ARG 96 2HB ARG 96 -9.510 5.436 6.603 672 HG2 ARG 96 1HG ARG 96 -11.179 4.763 4.969 673 HG3 ARG 96 2HG ARG 96 -10.977 3.076 5.445 674 HD2 ARG 96 1HD ARG 96 -11.771 5.220 7.396 675 HD3 ARG 96 2HD ARG 96 -12.955 4.329 6.441 676 HE ARG 96 HE ARG 96 -11.280 2.490 7.727 677 HH11 ARG 96 2HH1 ARG 96 -13.728 4.846 8.487 678 HH12 ARG 96 1HH1 ARG 96 -14.267 4.019 9.910 679 HH21 ARG 96 2HH2 ARG 96 -11.981 1.391 9.599 680 HH22 ARG 96 1HH2 ARG 96 -13.273 2.054 10.542 681 H THR 97 H THR 97 -9.186 4.366 2.803 682 HA THR 97 HA THR 97 -7.862 6.834 2.179 683 HB THR 97 HB THR 97 -8.619 6.559 -0.033 684 HG1 THR 97 1HG THR 97 -10.481 4.558 0.676 685 HG21 THR 97 1HG2 THR 97 -7.489 4.675 -0.458 686 HG22 THR 97 2HG2 THR 97 -8.680 3.682 0.381 687 HG23 THR 97 3HG2 THR 97 -7.385 4.463 1.289 688 H GLY 98 H GLY 98 -8.909 8.771 1.430 689 HA2 GLY 98 1HA GLY 98 -11.051 9.582 3.131 690 HA3 GLY 98 2HA GLY 98 -10.317 10.543 1.855 691 H GLU 99 H GLU 99 -12.924 10.877 2.127 692 HA GLU 99 HA GLU 99 -14.407 9.029 0.468 693 HB2 GLU 99 1HB GLU 99 -15.052 11.422 2.114 694 HB3 GLU 99 2HB GLU 99 -16.137 11.039 0.785 695 HG2 GLU 99 1HG GLU 99 -15.375 8.854 2.642 696 HG3 GLU 99 2HG GLU 99 -16.508 10.078 3.210 697 H GLN 100 H GLN 100 -15.942 10.214 -1.194 698 HA GLN 100 HA GLN 100 -14.610 12.313 -2.682 699 HB2 GLN 100 1HB GLN 100 -13.723 9.937 -3.356 700 HB3 GLN 100 2HB GLN 100 -15.248 9.830 -4.226 701 HG2 GLN 100 1HG GLN 100 -13.767 10.618 -5.820 702 HG3 GLN 100 2HG GLN 100 -14.585 12.077 -5.265 703 HE21 GLN 100 1HE2 GLN 100 -11.842 11.407 -6.419 704 HE22 GLN 100 2HE2 GLN 100 -10.746 12.233 -5.370 705 H SER 101 H SER 101 -15.927 13.189 -4.394 706 HA SER 101 HA SER 101 -18.714 13.165 -3.712 707 HB2 SER 101 1HB SER 101 -16.977 14.706 -5.583 708 HB3 SER 101 2HB SER 101 -18.709 14.668 -5.915 709 HG SER 101 HG SER 101 -17.433 15.538 -3.534 710 H GLY 102 H GLY 102 -18.173 10.624 -4.399 711 HA2 GLY 102 1HA GLY 102 -19.528 10.360 -7.008 712 HA3 GLY 102 2HA GLY 102 -18.170 9.328 -6.583 713 HA PRO 103 HA PRO 103 -21.033 6.407 -4.988 714 HB2 PRO 103 1HB PRO 103 -19.406 5.064 -3.279 715 HB3 PRO 103 2HB PRO 103 -19.301 4.898 -5.036 716 HG2 PRO 103 1HG PRO 103 -17.631 6.558 -3.187 717 HG3 PRO 103 2HG PRO 103 -17.122 5.558 -4.560 718 HD2 PRO 103 1HD PRO 103 -17.380 8.248 -4.733 719 HD3 PRO 103 2HD PRO 103 -17.695 7.168 -6.106 720 H SER 104 H SER 104 -22.425 7.838 -3.853 721 HA SER 104 HA SER 104 -22.211 7.587 -0.969 722 HB2 SER 104 1HB SER 104 -22.596 10.002 -0.582 723 HB3 SER 104 2HB SER 104 -21.050 9.699 -1.376 724 HG SER 104 HG SER 104 -21.727 10.740 -3.078 725 H SER 105 H SER 105 -24.206 8.092 0.137 726 HA SER 105 HA SER 105 -26.455 6.971 -0.855 727 HB2 SER 105 1HB SER 105 -26.383 7.579 1.457 728 HB3 SER 105 2HB SER 105 -26.226 9.292 1.068 729 HG SER 105 HG SER 105 -28.412 8.245 1.654 730 H GLY 106 H GLY 106 -28.129 7.483 -2.170 731 HA2 GLY 106 1HA GLY 106 -29.223 9.849 -2.873 732 HA3 GLY 106 2HA GLY 106 -27.794 9.782 -3.895 Start of MODEL 5 1 H1 GLY 1 H GLY 1 20.813 -24.582 15.780 2 HA2 GLY 1 1HA GLY 1 19.796 -21.951 16.533 3 HA3 GLY 1 2HA GLY 1 20.287 -22.456 14.923 4 H SER 2 H SER 2 17.957 -21.029 15.338 5 HA SER 2 HA SER 2 16.050 -22.727 14.081 6 HB2 SER 2 1HB SER 2 15.587 -23.549 16.286 7 HB3 SER 2 2HB SER 2 15.555 -21.916 16.951 8 HG SER 2 HG SER 2 13.621 -23.294 15.512 9 H SER 3 H SER 3 14.243 -21.582 13.270 10 HA SER 3 HA SER 3 13.065 -19.771 12.532 11 HB2 SER 3 1HB SER 3 13.265 -19.088 15.015 12 HB3 SER 3 2HB SER 3 14.548 -18.007 14.471 13 HG SER 3 HG SER 3 11.806 -17.883 14.037 14 H GLY 4 H GLY 4 15.340 -20.580 11.190 15 HA2 GLY 4 1HA GLY 4 17.142 -18.448 10.648 16 HA3 GLY 4 2HA GLY 4 16.925 -19.893 9.672 17 H SER 5 H SER 5 16.901 -16.700 9.434 18 HA SER 5 HA SER 5 14.474 -16.366 7.881 19 HB2 SER 5 1HB SER 5 14.991 -14.446 9.137 20 HB3 SER 5 2HB SER 5 16.702 -14.523 8.719 21 HG SER 5 HG SER 5 16.137 -13.105 7.266 22 H SER 6 H SER 6 14.416 -15.821 5.673 23 HA SER 6 HA SER 6 16.832 -16.584 4.167 24 HB2 SER 6 1HB SER 6 15.492 -17.672 2.533 25 HB3 SER 6 2HB SER 6 14.873 -18.216 4.092 26 HG SER 6 HG SER 6 13.417 -16.220 3.714 27 H GLY 7 H GLY 7 16.869 -15.692 1.914 28 HA2 GLY 7 1HA GLY 7 17.031 -13.822 0.587 29 HA3 GLY 7 2HA GLY 7 15.332 -13.600 0.980 30 HA PRO 8 HA PRO 8 17.644 -9.907 2.540 31 HB2 PRO 8 1HB PRO 8 15.840 -8.102 1.616 32 HB3 PRO 8 2HB PRO 8 17.167 -8.725 0.628 33 HG2 PRO 8 1HG PRO 8 14.291 -9.554 0.677 34 HG3 PRO 8 2HG PRO 8 15.358 -9.298 -0.716 35 HD2 PRO 8 1HD PRO 8 14.793 -11.762 0.254 36 HD3 PRO 8 2HD PRO 8 16.355 -11.364 -0.491 37 H LYS 9 H LYS 9 16.724 -8.093 3.920 38 HA LYS 9 HA LYS 9 14.864 -9.267 5.829 39 HB2 LYS 9 1HB LYS 9 16.863 -7.054 5.894 40 HB3 LYS 9 2HB LYS 9 15.520 -6.991 7.028 41 HG2 LYS 9 1HG LYS 9 17.253 -8.049 8.188 42 HG3 LYS 9 2HG LYS 9 16.169 -9.353 7.697 43 HD2 LYS 9 1HD LYS 9 18.260 -10.202 7.159 44 HD3 LYS 9 2HD LYS 9 17.715 -9.524 5.623 45 HE2 LYS 9 1HE LYS 9 19.847 -8.681 5.733 46 HE3 LYS 9 2HE LYS 9 18.938 -7.376 6.492 47 HZ1 LYS 9 1HZ LYS 9 20.957 -7.994 7.725 48 HZ2 LYS 9 2HZ LYS 9 20.324 -9.542 7.975 49 HZ3 LYS 9 3HZ LYS 9 19.552 -8.196 8.647 50 HA PRO 10 HA PRO 10 11.372 -6.857 4.698 51 HB2 PRO 10 1HB PRO 10 10.186 -6.494 7.114 52 HB3 PRO 10 2HB PRO 10 10.194 -8.048 6.271 53 HG2 PRO 10 1HG PRO 10 11.950 -7.094 8.500 54 HG3 PRO 10 2HG PRO 10 11.174 -8.674 8.284 55 HD2 PRO 10 1HD PRO 10 13.784 -8.241 7.709 56 HD3 PRO 10 2HD PRO 10 12.789 -9.406 6.812 57 HA PRO 11 HA PRO 11 12.415 -2.598 5.213 58 HB2 PRO 11 1HB PRO 11 10.058 -1.494 4.444 59 HB3 PRO 11 2HB PRO 11 11.193 -2.225 3.304 60 HG2 PRO 11 1HG PRO 11 8.710 -3.383 4.510 61 HG3 PRO 11 2HG PRO 11 9.288 -3.474 2.836 62 HD2 PRO 11 1HD PRO 11 9.595 -5.508 4.596 63 HD3 PRO 11 2HD PRO 11 10.770 -5.174 3.308 64 H ILE 12 H ILE 12 12.164 -0.922 6.664 65 HA ILE 12 HA ILE 12 10.197 -1.367 8.814 66 HB ILE 12 HB ILE 12 11.762 -0.194 10.324 67 HG12 ILE 12 1HG1 ILE 12 13.703 -0.388 8.010 68 HG13 ILE 12 2HG1 ILE 12 12.946 1.100 8.568 69 HG21 ILE 12 1HG2 ILE 12 12.296 -2.775 9.031 70 HG22 ILE 12 2HG2 ILE 12 13.651 -2.098 9.934 71 HG23 ILE 12 3HG2 ILE 12 12.106 -2.376 10.738 72 HD11 ILE 12 1HD1 ILE 12 15.287 -0.250 9.548 73 HD12 ILE 12 2HD1 ILE 12 14.690 1.372 9.899 74 HD13 ILE 12 3HD1 ILE 12 14.110 -0.003 10.838 75 H ASP 13 H ASP 13 10.111 0.869 10.156 76 HA ASP 13 HA ASP 13 9.164 2.939 10.206 77 HB2 ASP 13 1HB ASP 13 11.536 3.286 9.077 78 HB3 ASP 13 2HB ASP 13 10.553 3.708 7.677 79 H LEU 14 H LEU 14 7.585 1.006 9.014 80 HA LEU 14 HA LEU 14 6.523 1.986 6.525 81 HB2 LEU 14 1HB LEU 14 6.575 -0.443 7.527 82 HB3 LEU 14 2HB LEU 14 5.053 0.059 8.260 83 HG LEU 14 HG LEU 14 4.162 0.527 6.000 84 HD11 LEU 14 1HD1 LEU 14 5.818 -0.923 4.330 85 HD12 LEU 14 2HD1 LEU 14 6.932 0.057 5.282 86 HD13 LEU 14 3HD1 LEU 14 5.640 0.832 4.365 87 HD21 LEU 14 1HD2 LEU 14 5.052 -2.249 5.701 88 HD22 LEU 14 2HD2 LEU 14 3.424 -1.584 5.829 89 HD23 LEU 14 3HD2 LEU 14 4.380 -1.863 7.285 90 H VAL 15 H VAL 15 5.559 3.933 6.642 91 HA VAL 15 HA VAL 15 3.154 4.141 8.275 92 HB VAL 15 HB VAL 15 4.984 6.506 8.293 93 HG11 VAL 15 1HG1 VAL 15 2.882 7.040 9.122 94 HG12 VAL 15 2HG1 VAL 15 2.697 5.485 9.936 95 HG13 VAL 15 3HG1 VAL 15 3.806 6.695 10.584 96 HG21 VAL 15 1HG2 VAL 15 6.493 4.938 9.151 97 HG22 VAL 15 2HG2 VAL 15 5.748 5.646 10.584 98 HG23 VAL 15 3HG2 VAL 15 5.231 4.059 10.014 99 H VAL 16 H VAL 16 1.668 5.721 7.536 100 HA VAL 16 HA VAL 16 1.984 6.335 4.703 101 HB VAL 16 HB VAL 16 -0.402 6.484 6.542 102 HG11 VAL 16 1HG1 VAL 16 -0.058 7.413 3.713 103 HG12 VAL 16 2HG1 VAL 16 -1.630 6.889 4.319 104 HG13 VAL 16 3HG1 VAL 16 -0.802 8.250 5.075 105 HG21 VAL 16 1HG2 VAL 16 -0.449 4.304 6.024 106 HG22 VAL 16 2HG2 VAL 16 -1.031 4.843 4.449 107 HG23 VAL 16 3HG2 VAL 16 0.682 4.500 4.686 108 H THR 17 H THR 17 2.242 8.329 3.889 109 HA THR 17 HA THR 17 2.398 10.557 5.800 110 HB THR 17 HB THR 17 4.393 9.884 4.295 111 HG1 THR 17 1HG THR 17 3.358 12.490 4.668 112 HG21 THR 17 1HG2 THR 17 4.407 10.473 2.070 113 HG22 THR 17 2HG2 THR 17 3.132 11.675 2.269 114 HG23 THR 17 3HG2 THR 17 2.731 9.958 2.257 115 H GLU 18 H GLU 18 0.889 9.494 2.827 116 HA GLU 18 HA GLU 18 -0.979 11.736 3.025 117 HB2 GLU 18 1HB GLU 18 0.818 11.139 0.727 118 HB3 GLU 18 2HB GLU 18 -0.820 11.664 0.367 119 HG2 GLU 18 1HG GLU 18 0.786 13.232 2.317 120 HG3 GLU 18 2HG GLU 18 1.144 13.384 0.598 121 H THR 19 H THR 19 -3.039 11.318 2.215 122 HA THR 19 HA THR 19 -3.554 8.643 1.137 123 HB THR 19 HB THR 19 -5.660 8.698 2.719 124 HG1 THR 19 1HG THR 19 -5.285 10.638 3.755 125 HG21 THR 19 1HG2 THR 19 -3.184 7.398 2.757 126 HG22 THR 19 2HG2 THR 19 -4.652 6.917 3.608 127 HG23 THR 19 3HG2 THR 19 -3.456 7.930 4.416 128 H THR 20 H THR 20 -4.932 8.697 -0.516 129 HA THR 20 HA THR 20 -6.590 11.109 -0.862 130 HB THR 20 HB THR 20 -5.996 9.359 -3.195 131 HG1 THR 20 1HG THR 20 -4.004 10.023 -1.775 132 HG21 THR 20 1HG2 THR 20 -6.827 12.111 -2.639 133 HG22 THR 20 2HG2 THR 20 -7.131 11.099 -4.052 134 HG23 THR 20 3HG2 THR 20 -5.608 11.976 -3.905 135 H ALA 21 H ALA 21 -8.505 10.622 -2.416 136 HA ALA 21 HA ALA 21 -10.230 8.820 -1.102 137 HB1 ALA 21 1HB ALA 21 -10.440 10.382 -3.654 138 HB2 ALA 21 2HB ALA 21 -11.714 9.273 -3.146 139 HB3 ALA 21 3HB ALA 21 -11.275 10.640 -2.122 140 H THR 22 H THR 22 -8.382 8.585 -4.100 141 HA THR 22 HA THR 22 -9.042 5.714 -4.190 142 HB THR 22 HB THR 22 -8.879 5.795 -6.649 143 HG1 THR 22 1HG THR 22 -9.031 8.025 -7.543 144 HG21 THR 22 1HG2 THR 22 -10.998 7.026 -7.065 145 HG22 THR 22 2HG2 THR 22 -10.897 7.682 -5.431 146 HG23 THR 22 3HG2 THR 22 -11.082 5.945 -5.674 147 H SER 23 H SER 23 -6.720 7.490 -3.197 148 HA SER 23 HA SER 23 -4.627 5.759 -4.263 149 HB2 SER 23 1HB SER 23 -4.309 8.767 -4.175 150 HB3 SER 23 2HB SER 23 -3.112 7.597 -4.728 151 HG SER 23 HG SER 23 -5.450 8.489 -5.975 152 H VAL 24 H VAL 24 -2.586 5.963 -2.990 153 HA VAL 24 HA VAL 24 -2.809 7.133 -0.352 154 HB VAL 24 HB VAL 24 -2.347 4.161 -0.517 155 HG11 VAL 24 1HG1 VAL 24 -1.728 5.895 1.457 156 HG12 VAL 24 2HG1 VAL 24 -3.368 5.445 1.927 157 HG13 VAL 24 3HG1 VAL 24 -2.134 4.200 1.725 158 HG21 VAL 24 1HG2 VAL 24 -4.923 5.617 0.067 159 HG22 VAL 24 2HG2 VAL 24 -4.601 4.546 -1.296 160 HG23 VAL 24 3HG2 VAL 24 -4.652 3.896 0.342 161 H THR 25 H THR 25 -0.836 7.386 0.676 162 HA THR 25 HA THR 25 1.513 6.708 -0.966 163 HB THR 25 HB THR 25 1.172 8.955 1.030 164 HG1 THR 25 1HG THR 25 1.541 10.169 -1.023 165 HG21 THR 25 1HG2 THR 25 3.399 9.666 -0.091 166 HG22 THR 25 2HG2 THR 25 3.533 7.962 -0.528 167 HG23 THR 25 3HG2 THR 25 3.436 8.433 1.169 168 H LEU 26 H LEU 26 3.123 5.516 -0.121 169 HA LEU 26 HA LEU 26 3.029 4.921 2.762 170 HB2 LEU 26 1HB LEU 26 2.250 3.092 1.120 171 HB3 LEU 26 2HB LEU 26 3.959 2.936 0.718 172 HG LEU 26 HG LEU 26 4.385 2.466 3.151 173 HD11 LEU 26 1HD1 LEU 26 2.339 3.452 4.046 174 HD12 LEU 26 2HD1 LEU 26 2.492 1.759 4.515 175 HD13 LEU 26 3HD1 LEU 26 1.380 2.219 3.226 176 HD21 LEU 26 1HD2 LEU 26 4.323 0.685 1.501 177 HD22 LEU 26 2HD2 LEU 26 2.568 0.584 1.647 178 HD23 LEU 26 3HD2 LEU 26 3.594 0.146 3.014 179 H THR 27 H THR 27 4.901 5.092 3.848 180 HA THR 27 HA THR 27 7.370 5.463 2.279 181 HB THR 27 HB THR 27 8.147 7.114 3.855 182 HG1 THR 27 1HG THR 27 6.455 7.809 5.479 183 HG21 THR 27 1HG2 THR 27 7.001 8.282 2.243 184 HG22 THR 27 2HG2 THR 27 6.097 8.767 3.677 185 HG23 THR 27 3HG2 THR 27 5.463 7.506 2.619 186 H TRP 28 H TRP 28 9.144 4.366 2.927 187 HA TRP 28 HA TRP 28 9.323 3.224 5.575 188 HB2 TRP 28 1HB TRP 28 9.481 0.914 4.871 189 HB3 TRP 28 2HB TRP 28 7.943 1.575 4.324 190 HD1 TRP 28 HD TRP 28 11.222 0.160 3.031 191 HE1 TRP 28 1HE TRP 28 11.044 -0.180 0.486 192 HE3 TRP 28 3HE TRP 28 6.776 2.545 2.202 193 HZ2 TRP 28 2HZ TRP 28 9.257 0.477 -1.597 194 HZ3 TRP 28 3HZ TRP 28 5.903 2.645 -0.096 195 HH2 TRP 28 HH TRP 28 7.119 1.632 -1.955 196 H ASP 29 H ASP 29 11.405 1.990 5.838 197 HA ASP 29 HA ASP 29 13.497 3.331 4.273 198 HB2 ASP 29 1HB ASP 29 13.391 3.564 6.812 199 HB3 ASP 29 2HB ASP 29 13.877 1.873 6.886 200 H SER 30 H SER 30 15.276 2.172 3.469 201 HA SER 30 HA SER 30 14.801 -0.163 2.142 202 HB2 SER 30 1HB SER 30 17.265 -0.446 1.999 203 HB3 SER 30 2HB SER 30 16.757 1.212 1.676 204 HG SER 30 HG SER 30 17.358 1.748 3.797 205 H GLY 31 H GLY 31 16.344 0.142 5.336 206 HA2 GLY 31 1HA GLY 31 16.196 -1.335 7.127 207 HA3 GLY 31 2HA GLY 31 15.291 -2.441 6.106 208 H ASN 32 H ASN 32 17.089 -2.745 3.998 209 HA ASN 32 HA ASN 32 19.040 -4.481 5.271 210 HB2 ASN 32 1HB ASN 32 18.059 -4.137 2.448 211 HB3 ASN 32 2HB ASN 32 19.510 -5.074 2.793 212 HD21 ASN 32 1HD2 ASN 32 16.066 -4.820 3.399 213 HD22 ASN 32 2HD2 ASN 32 15.822 -6.484 3.794 214 H SER 33 H SER 33 21.269 -4.574 4.280 215 HA SER 33 HA SER 33 22.318 -1.841 4.122 216 HB2 SER 33 1HB SER 33 23.243 -3.334 5.870 217 HB3 SER 33 2HB SER 33 23.795 -4.440 4.613 218 HG SER 33 HG SER 33 25.235 -2.623 5.554 219 H GLU 34 H GLU 34 21.986 -4.776 2.304 220 HA GLU 34 HA GLU 34 23.819 -3.847 0.231 221 HB2 GLU 34 1HB GLU 34 22.392 -6.428 0.770 222 HB3 GLU 34 2HB GLU 34 23.017 -6.090 -0.838 223 HG2 GLU 34 1HG GLU 34 24.642 -6.120 1.695 224 HG3 GLU 34 2HG GLU 34 24.571 -7.417 0.504 225 HA PRO 35 HA PRO 35 20.649 -2.090 -2.265 226 HB2 PRO 35 1HB PRO 35 21.858 -2.267 -4.689 227 HB3 PRO 35 2HB PRO 35 22.345 -1.098 -3.456 228 HG2 PRO 35 1HG PRO 35 23.574 -3.737 -4.155 229 HG3 PRO 35 2HG PRO 35 24.368 -2.192 -3.799 230 HD2 PRO 35 1HD PRO 35 24.163 -4.179 -1.972 231 HD3 PRO 35 2HD PRO 35 24.153 -2.462 -1.520 232 H VAL 36 H VAL 36 19.012 -3.663 -2.067 233 HA VAL 36 HA VAL 36 19.020 -6.115 -3.501 234 HB VAL 36 HB VAL 36 16.598 -6.200 -2.961 235 HG11 VAL 36 1HG1 VAL 36 16.920 -6.100 -0.445 236 HG12 VAL 36 2HG1 VAL 36 18.036 -7.132 -1.342 237 HG13 VAL 36 3HG1 VAL 36 18.560 -5.545 -0.779 238 HG21 VAL 36 1HG2 VAL 36 16.413 -3.634 -3.113 239 HG22 VAL 36 2HG2 VAL 36 15.461 -4.473 -1.889 240 HG23 VAL 36 3HG2 VAL 36 16.950 -3.645 -1.433 241 H THR 37 H THR 37 17.341 -6.675 -5.141 242 HA THR 37 HA THR 37 17.639 -5.121 -7.448 243 HB THR 37 HB THR 37 15.543 -7.217 -6.848 244 HG1 THR 37 1HG THR 37 18.153 -7.306 -7.966 245 HG21 THR 37 1HG2 THR 37 14.927 -7.229 -9.060 246 HG22 THR 37 2HG2 THR 37 16.467 -6.565 -9.605 247 HG23 THR 37 3HG2 THR 37 15.273 -5.514 -8.845 248 H TYR 38 H TYR 38 14.740 -5.568 -5.417 249 HA TYR 38 HA TYR 38 13.964 -2.846 -5.649 250 HB2 TYR 38 1HB TYR 38 12.079 -2.991 -7.076 251 HB3 TYR 38 2HB TYR 38 13.385 -3.797 -7.939 252 HD1 TYR 38 1HD TYR 38 10.222 -4.279 -6.137 253 HD2 TYR 38 2HD TYR 38 13.323 -6.176 -8.349 254 HE1 TYR 38 1HE TYR 38 8.819 -6.285 -6.373 255 HE2 TYR 38 2HE TYR 38 11.927 -8.187 -8.592 256 HH TYR 38 HH TYR 38 8.612 -8.223 -7.867 257 H TYR 39 H TYR 39 11.397 -2.802 -5.054 258 HA TYR 39 HA TYR 39 11.017 -4.716 -2.850 259 HB2 TYR 39 1HB TYR 39 10.670 -1.719 -2.799 260 HB3 TYR 39 2HB TYR 39 9.955 -2.778 -1.589 261 HD1 TYR 39 1HD TYR 39 13.261 -2.040 -3.166 262 HD2 TYR 39 2HD TYR 39 11.157 -3.228 0.336 263 HE1 TYR 39 1HE TYR 39 15.365 -1.993 -1.893 264 HE2 TYR 39 2HE TYR 39 13.255 -3.183 1.619 265 HH TYR 39 HH TYR 39 15.452 -2.881 1.545 266 H GLY 40 H GLY 40 9.187 -5.811 -3.056 267 HA2 GLY 40 1HA GLY 40 7.177 -4.964 -4.954 268 HA3 GLY 40 2HA GLY 40 7.181 -6.460 -4.033 269 H ILE 41 H ILE 41 4.901 -4.849 -4.454 270 HA ILE 41 HA ILE 41 4.329 -4.067 -1.676 271 HB ILE 41 HB ILE 41 3.383 -2.602 -4.142 272 HG12 ILE 41 1HG1 ILE 41 5.164 -1.639 -1.895 273 HG13 ILE 41 2HG1 ILE 41 5.759 -2.192 -3.456 274 HG21 ILE 41 1HG2 ILE 41 2.041 -2.887 -1.769 275 HG22 ILE 41 2HG2 ILE 41 2.917 -1.375 -1.538 276 HG23 ILE 41 3HG2 ILE 41 1.831 -1.563 -2.914 277 HD11 ILE 41 1HD1 ILE 41 4.831 0.387 -2.700 278 HD12 ILE 41 2HD1 ILE 41 5.528 -0.140 -4.232 279 HD13 ILE 41 3HD1 ILE 41 3.787 -0.249 -3.971 280 H GLN 42 H GLN 42 2.553 -4.966 -0.839 281 HA GLN 42 HA GLN 42 0.564 -6.115 -2.678 282 HB2 GLN 42 1HB GLN 42 1.790 -7.388 -0.234 283 HB3 GLN 42 2HB GLN 42 0.300 -7.968 -0.965 284 HG2 GLN 42 1HG GLN 42 1.873 -9.347 -1.912 285 HG3 GLN 42 2HG GLN 42 1.701 -8.090 -3.136 286 HE21 GLN 42 1HE2 GLN 42 3.903 -9.545 -3.278 287 HE22 GLN 42 2HE2 GLN 42 5.285 -8.670 -2.723 288 H TYR 43 H TYR 43 -1.520 -5.718 -2.194 289 HA TYR 43 HA TYR 43 -2.259 -4.848 0.485 290 HB2 TYR 43 1HB TYR 43 -3.489 -2.865 -0.482 291 HB3 TYR 43 2HB TYR 43 -1.734 -2.731 -0.482 292 HD1 TYR 43 1HD TYR 43 -0.483 -3.105 -2.627 293 HD2 TYR 43 2HD TYR 43 -4.722 -2.770 -2.498 294 HE1 TYR 43 1HE TYR 43 -0.513 -2.643 -5.043 295 HE2 TYR 43 2HE TYR 43 -4.765 -2.308 -4.914 296 HH TYR 43 HH TYR 43 -2.639 -1.240 -6.619 297 H ARG 44 H ARG 44 -4.663 -4.572 0.672 298 HA ARG 44 HA ARG 44 -6.357 -5.717 -1.319 299 HB2 ARG 44 1HB ARG 44 -5.485 -7.817 -0.626 300 HB3 ARG 44 2HB ARG 44 -5.581 -7.376 1.074 301 HG2 ARG 44 1HG ARG 44 -8.104 -7.259 0.726 302 HG3 ARG 44 2HG ARG 44 -7.807 -8.099 -0.797 303 HD2 ARG 44 1HD ARG 44 -7.105 -10.029 0.250 304 HD3 ARG 44 2HD ARG 44 -6.635 -9.181 1.723 305 HE ARG 44 HE ARG 44 -9.449 -9.071 1.277 306 HH11 ARG 44 2HH1 ARG 44 -6.876 -11.099 2.454 307 HH12 ARG 44 1HH1 ARG 44 -7.904 -12.016 3.505 308 HH21 ARG 44 2HH2 ARG 44 -10.812 -10.272 2.657 309 HH22 ARG 44 1HH2 ARG 44 -10.143 -11.545 3.619 310 H ALA 45 H ALA 45 -8.571 -5.554 -0.794 311 HA ALA 45 HA ALA 45 -9.227 -3.419 0.937 312 HB1 ALA 45 1HB ALA 45 -11.205 -3.455 -0.106 313 HB2 ALA 45 2HB ALA 45 -10.467 -4.665 -1.156 314 HB3 ALA 45 3HB ALA 45 -11.450 -5.172 0.216 315 H ALA 46 H ALA 46 -9.129 -3.548 3.082 316 HA ALA 46 HA ALA 46 -9.052 -5.792 4.664 317 HB1 ALA 46 1HB ALA 46 -9.911 -2.979 5.216 318 HB2 ALA 46 2HB ALA 46 -10.002 -4.210 6.476 319 HB3 ALA 46 3HB ALA 46 -8.451 -3.824 5.731 320 H GLY 47 H GLY 47 -10.568 -7.327 3.943 321 HA2 GLY 47 1HA GLY 47 -12.693 -8.045 5.225 322 HA3 GLY 47 2HA GLY 47 -13.399 -6.665 4.397 323 H THR 48 H THR 48 -12.791 -6.732 1.909 324 HA THR 48 HA THR 48 -14.294 -8.645 0.688 325 HB THR 48 HB THR 48 -11.812 -7.483 -0.583 326 HG1 THR 48 1HG THR 48 -14.304 -6.337 0.057 327 HG21 THR 48 1HG2 THR 48 -13.399 -9.321 -1.654 328 HG22 THR 48 2HG2 THR 48 -12.727 -8.003 -2.614 329 HG23 THR 48 3HG2 THR 48 -14.383 -7.904 -2.016 330 H GLU 49 H GLU 49 -14.073 -10.708 0.008 331 HA GLU 49 HA GLU 49 -11.774 -12.189 0.957 332 HB2 GLU 49 1HB GLU 49 -13.075 -14.169 0.099 333 HB3 GLU 49 2HB GLU 49 -13.879 -13.228 1.347 334 HG2 GLU 49 1HG GLU 49 -15.280 -12.160 -0.289 335 HG3 GLU 49 2HG GLU 49 -14.410 -12.953 -1.601 336 H GLY 50 H GLY 50 -10.637 -10.669 -0.789 337 HA2 GLY 50 1HA GLY 50 -10.408 -12.290 -3.250 338 HA3 GLY 50 2HA GLY 50 -10.277 -10.538 -3.252 339 HA PRO 51 HA PRO 51 -6.093 -12.723 -2.641 340 HB2 PRO 51 1HB PRO 51 -5.077 -12.324 -5.127 341 HB3 PRO 51 2HB PRO 51 -5.990 -13.771 -4.683 342 HG2 PRO 51 1HG PRO 51 -6.913 -11.321 -6.134 343 HG3 PRO 51 2HG PRO 51 -7.262 -13.024 -6.480 344 HD2 PRO 51 1HD PRO 51 -9.016 -11.409 -5.196 345 HD3 PRO 51 2HD PRO 51 -8.897 -13.148 -4.860 346 H PHE 52 H PHE 52 -4.214 -11.594 -2.227 347 HA PHE 52 HA PHE 52 -4.442 -8.744 -2.094 348 HB2 PHE 52 1HB PHE 52 -2.227 -10.668 -1.390 349 HB3 PHE 52 2HB PHE 52 -2.060 -8.925 -1.211 350 HD1 PHE 52 2HD PHE 52 -3.956 -11.878 -0.068 351 HD2 PHE 52 1HD PHE 52 -3.006 -7.787 0.624 352 HE1 PHE 52 2HE PHE 52 -5.019 -12.009 2.147 353 HE2 PHE 52 1HE PHE 52 -4.067 -7.912 2.840 354 HZ PHE 52 HZ PHE 52 -5.076 -10.025 3.604 355 H GLN 53 H GLN 53 -3.754 -7.268 -3.502 356 HA GLN 53 HA GLN 53 -2.885 -7.906 -6.069 357 HB2 GLN 53 1HB GLN 53 -2.617 -5.323 -4.527 358 HB3 GLN 53 2HB GLN 53 -2.298 -5.480 -6.249 359 HG2 GLN 53 1HG GLN 53 -4.940 -6.208 -5.026 360 HG3 GLN 53 2HG GLN 53 -4.563 -4.577 -5.580 361 HE21 GLN 53 1HE2 GLN 53 -3.920 -4.349 -7.841 362 HE22 GLN 53 2HE2 GLN 53 -4.628 -5.398 -9.016 363 H GLU 54 H GLU 54 -0.815 -7.084 -7.075 364 HA GLU 54 HA GLU 54 1.503 -7.248 -5.311 365 HB2 GLU 54 1HB GLU 54 1.011 -9.570 -6.059 366 HB3 GLU 54 2HB GLU 54 1.196 -9.041 -7.725 367 HG2 GLU 54 1HG GLU 54 3.504 -8.575 -7.407 368 HG3 GLU 54 2HG GLU 54 3.369 -8.801 -5.664 369 H VAL 55 H VAL 55 3.012 -5.818 -5.875 370 HA VAL 55 HA VAL 55 3.053 -4.830 -8.649 371 HB VAL 55 HB VAL 55 3.361 -3.129 -6.171 372 HG11 VAL 55 1HG1 VAL 55 3.080 -1.383 -8.199 373 HG12 VAL 55 2HG1 VAL 55 4.644 -1.931 -7.592 374 HG13 VAL 55 3HG1 VAL 55 3.942 -2.680 -9.027 375 HG21 VAL 55 1HG2 VAL 55 1.175 -3.063 -8.245 376 HG22 VAL 55 2HG2 VAL 55 1.033 -3.872 -6.684 377 HG23 VAL 55 3HG2 VAL 55 1.266 -2.125 -6.754 378 H ASP 56 H ASP 56 4.973 -5.071 -9.566 379 HA ASP 56 HA ASP 56 7.364 -5.114 -7.842 380 HB2 ASP 56 1HB ASP 56 8.362 -6.685 -9.513 381 HB3 ASP 56 2HB ASP 56 6.981 -7.352 -8.647 382 H GLY 57 H GLY 57 9.167 -4.014 -8.531 383 HA2 GLY 57 1HA GLY 57 10.423 -3.001 -10.372 384 HA3 GLY 57 2HA GLY 57 8.882 -2.499 -11.051 385 H VAL 58 H VAL 58 10.054 -2.272 -7.710 386 HA VAL 58 HA VAL 58 9.775 0.656 -7.917 387 HB VAL 58 HB VAL 58 9.310 -1.047 -5.465 388 HG11 VAL 58 1HG1 VAL 58 10.082 1.568 -5.553 389 HG12 VAL 58 2HG1 VAL 58 8.323 1.709 -5.519 390 HG13 VAL 58 3HG1 VAL 58 9.164 0.826 -4.243 391 HG21 VAL 58 1HG2 VAL 58 7.626 -0.745 -7.617 392 HG22 VAL 58 2HG2 VAL 58 7.138 -1.184 -5.980 393 HG23 VAL 58 3HG2 VAL 58 7.067 0.500 -6.499 394 H ALA 59 H ALA 59 11.898 1.169 -8.302 395 HA ALA 59 HA ALA 59 13.978 0.094 -6.574 396 HB1 ALA 59 1HB ALA 59 14.640 2.214 -8.518 397 HB2 ALA 59 2HB ALA 59 15.462 0.692 -8.169 398 HB3 ALA 59 3HB ALA 59 14.022 0.703 -9.187 399 H THR 60 H THR 60 11.970 1.760 -5.359 400 HA THR 60 HA THR 60 13.730 3.851 -4.297 401 HB THR 60 HB THR 60 11.708 5.380 -4.156 402 HG1 THR 60 1HG THR 60 10.316 3.453 -4.848 403 HG21 THR 60 1HG2 THR 60 11.879 5.554 -6.903 404 HG22 THR 60 2HG2 THR 60 13.386 4.754 -6.456 405 HG23 THR 60 3HG2 THR 60 12.974 6.317 -5.750 406 H THR 61 H THR 61 12.783 4.805 -2.245 407 HA THR 61 HA THR 61 11.898 2.601 -0.564 408 HB THR 61 HB THR 61 12.186 4.458 1.256 409 HG1 THR 61 1HG THR 61 13.587 6.108 0.614 410 HG21 THR 61 1HG2 THR 61 14.815 3.826 0.065 411 HG22 THR 61 2HG2 THR 61 13.761 2.450 0.390 412 HG23 THR 61 3HG2 THR 61 14.212 3.544 1.698 413 H ARG 62 H ARG 62 10.486 5.125 -2.267 414 HA ARG 62 HA ARG 62 8.076 4.977 -0.579 415 HB2 ARG 62 1HB ARG 62 9.463 7.217 -0.673 416 HB3 ARG 62 2HB ARG 62 8.641 7.416 -2.215 417 HG2 ARG 62 1HG ARG 62 6.491 7.321 -1.134 418 HG3 ARG 62 2HG ARG 62 7.252 6.967 0.418 419 HD2 ARG 62 1HD ARG 62 7.573 9.499 -1.191 420 HD3 ARG 62 2HD ARG 62 6.608 9.313 0.273 421 HE ARG 62 HE ARG 62 8.541 9.366 1.532 422 HH11 ARG 62 2HH1 ARG 62 9.318 9.153 -1.854 423 HH12 ARG 62 1HH1 ARG 62 11.001 9.495 -1.623 424 HH21 ARG 62 2HH2 ARG 62 10.754 9.818 1.850 425 HH22 ARG 62 1HH2 ARG 62 11.817 9.872 0.484 426 H TYR 63 H TYR 63 6.139 4.727 -1.616 427 HA TYR 63 HA TYR 63 5.942 4.983 -4.488 428 HB2 TYR 63 1HB TYR 63 6.908 2.750 -4.300 429 HB3 TYR 63 2HB TYR 63 5.653 2.280 -3.159 430 HD1 TYR 63 2HD TYR 63 3.334 1.951 -3.934 431 HD2 TYR 63 1HD TYR 63 6.488 2.802 -6.660 432 HE1 TYR 63 2HE TYR 63 1.921 1.190 -5.797 433 HE2 TYR 63 1HE TYR 63 5.083 2.044 -8.531 434 HH TYR 63 HH TYR 63 2.113 0.385 -8.044 435 H SER 64 H SER 64 3.921 5.499 -5.090 436 HA SER 64 HA SER 64 1.860 5.499 -3.008 437 HB2 SER 64 1HB SER 64 0.816 7.269 -4.164 438 HB3 SER 64 2HB SER 64 2.539 7.606 -4.324 439 HG SER 64 HG SER 64 2.448 7.183 -6.408 440 H ILE 65 H ILE 65 -0.103 4.514 -3.251 441 HA ILE 65 HA ILE 65 -0.312 2.628 -5.493 442 HB ILE 65 HB ILE 65 -1.721 2.603 -2.821 443 HG12 ILE 65 1HG1 ILE 65 -0.296 0.358 -2.799 444 HG13 ILE 65 2HG1 ILE 65 0.727 1.278 -3.897 445 HG21 ILE 65 1HG2 ILE 65 -1.749 0.525 -5.006 446 HG22 ILE 65 2HG2 ILE 65 -2.598 0.448 -3.463 447 HG23 ILE 65 3HG2 ILE 65 -3.063 1.651 -4.665 448 HD11 ILE 65 1HD1 ILE 65 0.817 1.311 -1.142 449 HD12 ILE 65 2HD1 ILE 65 1.585 2.465 -2.233 450 HD13 ILE 65 3HD1 ILE 65 -0.006 2.814 -1.558 451 H GLY 66 H GLY 66 -2.226 2.416 -6.673 452 HA2 GLY 66 1HA GLY 66 -4.339 4.389 -6.178 453 HA3 GLY 66 2HA GLY 66 -3.536 4.408 -7.741 454 H GLY 67 H GLY 67 -6.328 3.963 -7.268 455 HA2 GLY 67 1HA GLY 67 -7.651 2.573 -8.737 456 HA3 GLY 67 2HA GLY 67 -6.531 1.256 -8.419 457 H LEU 68 H LEU 68 -7.540 3.227 -5.769 458 HA LEU 68 HA LEU 68 -9.103 0.965 -4.739 459 HB2 LEU 68 1HB LEU 68 -8.039 3.323 -3.199 460 HB3 LEU 68 2HB LEU 68 -8.695 1.823 -2.545 461 HG LEU 68 HG LEU 68 -6.140 1.996 -4.138 462 HD11 LEU 68 1HD1 LEU 68 -5.198 2.861 -2.323 463 HD12 LEU 68 2HD1 LEU 68 -5.551 1.341 -1.501 464 HD13 LEU 68 3HD1 LEU 68 -6.685 2.687 -1.389 465 HD21 LEU 68 1HD2 LEU 68 -7.620 -0.175 -3.835 466 HD22 LEU 68 2HD2 LEU 68 -6.814 -0.212 -2.266 467 HD23 LEU 68 3HD2 LEU 68 -5.859 -0.234 -3.750 468 H SER 69 H SER 69 -10.818 1.805 -3.048 469 HA SER 69 HA SER 69 -12.520 3.687 -4.522 470 HB2 SER 69 1HB SER 69 -13.082 1.410 -2.654 471 HB3 SER 69 2HB SER 69 -14.283 2.685 -2.859 472 HG SER 69 HG SER 69 -13.191 1.001 -4.863 473 HA PRO 70 HA PRO 70 -12.202 6.787 -1.428 474 HB2 PRO 70 1HB PRO 70 -14.645 7.952 -1.645 475 HB3 PRO 70 2HB PRO 70 -13.376 8.149 -2.860 476 HG2 PRO 70 1HG PRO 70 -15.743 6.316 -2.872 477 HG3 PRO 70 2HG PRO 70 -15.084 7.301 -4.191 478 HD2 PRO 70 1HD PRO 70 -14.598 4.646 -3.973 479 HD3 PRO 70 2HD PRO 70 -13.419 5.779 -4.665 480 H PHE 71 H PHE 71 -12.508 6.955 0.722 481 HA PHE 71 HA PHE 71 -13.244 6.513 2.828 482 HB2 PHE 71 1HB PHE 71 -15.383 7.475 1.649 483 HB3 PHE 71 2HB PHE 71 -15.964 5.818 1.783 484 HD1 PHE 71 2HD PHE 71 -14.283 8.369 3.929 485 HD2 PHE 71 1HD PHE 71 -17.234 5.318 3.618 486 HE1 PHE 71 2HE PHE 71 -14.971 8.803 6.251 487 HE2 PHE 71 1HE PHE 71 -17.927 5.748 5.940 488 HZ PHE 71 HZ PHE 71 -16.795 7.491 7.260 489 H SER 72 H SER 72 -11.894 4.465 1.765 490 HA SER 72 HA SER 72 -13.369 2.112 2.739 491 HB2 SER 72 1HB SER 72 -12.259 0.740 1.010 492 HB3 SER 72 2HB SER 72 -13.274 1.992 0.294 493 HG SER 72 HG SER 72 -11.314 3.251 0.084 494 H GLU 73 H GLU 73 -11.785 0.250 3.179 495 HA GLU 73 HA GLU 73 -9.371 1.350 4.464 496 HB2 GLU 73 1HB GLU 73 -11.374 0.408 5.884 497 HB3 GLU 73 2HB GLU 73 -10.683 -1.150 5.452 498 HG2 GLU 73 1HG GLU 73 -8.646 -0.657 6.542 499 HG3 GLU 73 2HG GLU 73 -9.077 1.042 6.728 500 H TYR 74 H TYR 74 -7.475 0.490 3.902 501 HA TYR 74 HA TYR 74 -7.399 -2.185 2.714 502 HB2 TYR 74 1HB TYR 74 -6.504 0.364 1.407 503 HB3 TYR 74 2HB TYR 74 -5.696 -1.153 1.029 504 HD1 TYR 74 1HD TYR 74 -8.956 0.597 0.936 505 HD2 TYR 74 2HD TYR 74 -6.691 -2.739 -0.423 506 HE1 TYR 74 1HE TYR 74 -10.718 0.073 -0.697 507 HE2 TYR 74 2HE TYR 74 -8.447 -3.271 -2.061 508 HH TYR 74 HH TYR 74 -11.437 -1.368 -2.232 509 H ALA 75 H ALA 75 -5.500 -3.301 3.046 510 HA ALA 75 HA ALA 75 -3.656 -2.073 4.973 511 HB1 ALA 75 1HB ALA 75 -4.183 -3.973 6.049 512 HB2 ALA 75 2HB ALA 75 -4.701 -4.788 4.573 513 HB3 ALA 75 3HB ALA 75 -2.987 -4.699 4.976 514 H PHE 76 H PHE 76 -1.569 -1.728 4.500 515 HA PHE 76 HA PHE 76 -0.587 -2.700 1.898 516 HB2 PHE 76 1HB PHE 76 0.220 -0.210 3.417 517 HB3 PHE 76 2HB PHE 76 0.890 -0.727 1.873 518 HD1 PHE 76 1HD PHE 76 -0.637 -0.843 -0.127 519 HD2 PHE 76 2HD PHE 76 -1.748 1.049 3.520 520 HE1 PHE 76 1HE PHE 76 -2.408 0.389 -1.310 521 HE2 PHE 76 2HE PHE 76 -3.521 2.284 2.344 522 HZ PHE 76 HZ PHE 76 -3.854 1.954 -0.074 523 H ARG 77 H ARG 77 1.489 -3.534 1.748 524 HA ARG 77 HA ARG 77 3.193 -3.665 4.075 525 HB2 ARG 77 1HB ARG 77 3.256 -6.110 4.182 526 HB3 ARG 77 2HB ARG 77 1.639 -5.504 4.519 527 HG2 ARG 77 1HG ARG 77 1.073 -5.982 2.118 528 HG3 ARG 77 2HG ARG 77 2.626 -6.811 2.000 529 HD2 ARG 77 1HD ARG 77 1.987 -8.422 3.621 530 HD3 ARG 77 2HD ARG 77 0.558 -7.494 4.076 531 HE ARG 77 HE ARG 77 0.354 -8.137 1.365 532 HH11 ARG 77 2HH1 ARG 77 0.355 -9.720 4.465 533 HH12 ARG 77 1HH1 ARG 77 -0.651 -11.030 3.942 534 HH21 ARG 77 2HH2 ARG 77 -0.971 -9.856 0.665 535 HH22 ARG 77 1HH2 ARG 77 -1.404 -11.107 1.780 536 H VAL 78 H VAL 78 5.176 -3.354 3.332 537 HA VAL 78 HA VAL 78 5.794 -4.037 0.555 538 HB VAL 78 HB VAL 78 7.496 -2.472 2.496 539 HG11 VAL 78 1HG1 VAL 78 7.594 -2.952 -0.466 540 HG12 VAL 78 2HG1 VAL 78 8.396 -1.568 0.281 541 HG13 VAL 78 3HG1 VAL 78 8.857 -3.209 0.737 542 HG21 VAL 78 1HG2 VAL 78 5.184 -1.514 2.020 543 HG22 VAL 78 2HG2 VAL 78 6.565 -0.468 1.688 544 HG23 VAL 78 3HG2 VAL 78 5.742 -1.289 0.362 545 H LEU 79 H LEU 79 7.924 -4.973 0.064 546 HA LEU 79 HA LEU 79 9.281 -6.437 2.145 547 HB2 LEU 79 1HB LEU 79 8.961 -8.618 0.852 548 HB3 LEU 79 2HB LEU 79 7.641 -8.058 1.876 549 HG LEU 79 HG LEU 79 6.815 -7.005 -0.419 550 HD11 LEU 79 1HD1 LEU 79 8.258 -7.592 -2.049 551 HD12 LEU 79 2HD1 LEU 79 7.326 -9.089 -2.036 552 HD13 LEU 79 3HD1 LEU 79 8.857 -8.997 -1.166 553 HD21 LEU 79 1HD2 LEU 79 5.172 -8.366 0.197 554 HD22 LEU 79 2HD2 LEU 79 6.294 -9.413 1.068 555 HD23 LEU 79 3HD2 LEU 79 6.003 -9.669 -0.654 556 H ALA 80 H ALA 80 11.373 -6.413 1.675 557 HA ALA 80 HA ALA 80 12.380 -5.414 -0.762 558 HB1 ALA 80 1HB ALA 80 13.793 -6.907 1.445 559 HB2 ALA 80 2HB ALA 80 14.591 -6.041 0.131 560 HB3 ALA 80 3HB ALA 80 13.612 -5.158 1.303 561 H VAL 81 H VAL 81 13.361 -6.407 -2.496 562 HA VAL 81 HA VAL 81 13.381 -9.337 -2.578 563 HB VAL 81 HB VAL 81 12.265 -7.719 -4.863 564 HG11 VAL 81 1HG1 VAL 81 11.406 -10.456 -4.669 565 HG12 VAL 81 2HG1 VAL 81 12.254 -9.639 -5.982 566 HG13 VAL 81 3HG1 VAL 81 13.166 -10.359 -4.655 567 HG21 VAL 81 1HG2 VAL 81 10.886 -8.922 -2.497 568 HG22 VAL 81 2HG2 VAL 81 10.628 -7.354 -3.264 569 HG23 VAL 81 3HG2 VAL 81 10.062 -8.826 -4.054 570 H ASN 82 H ASN 82 14.948 -10.232 -3.888 571 HA ASN 82 HA ASN 82 16.489 -8.632 -5.712 572 HB2 ASN 82 1HB ASN 82 18.508 -8.483 -4.573 573 HB3 ASN 82 2HB ASN 82 17.346 -8.190 -3.282 574 HD21 ASN 82 1HD2 ASN 82 17.234 -9.570 -1.600 575 HD22 ASN 82 2HD2 ASN 82 18.238 -10.964 -1.418 576 H SER 83 H SER 83 18.668 -10.077 -6.144 577 HA SER 83 HA SER 83 18.064 -12.133 -7.727 578 HB2 SER 83 1HB SER 83 20.413 -12.264 -5.824 579 HB3 SER 83 2HB SER 83 20.284 -13.037 -7.404 580 HG SER 83 HG SER 83 21.307 -11.246 -7.944 581 H ILE 84 H ILE 84 18.644 -12.519 -4.237 582 HA ILE 84 HA ILE 84 18.182 -15.269 -4.089 583 HB ILE 84 HB ILE 84 17.546 -13.242 -1.944 584 HG12 ILE 84 1HG1 ILE 84 19.770 -12.768 -2.363 585 HG13 ILE 84 2HG1 ILE 84 19.929 -14.069 -1.189 586 HG21 ILE 84 1HG2 ILE 84 16.700 -15.170 -1.077 587 HG22 ILE 84 2HG2 ILE 84 17.779 -16.198 -2.018 588 HG23 ILE 84 3HG2 ILE 84 18.384 -15.359 -0.589 589 HD11 ILE 84 1HD1 ILE 84 21.463 -14.285 -3.099 590 HD12 ILE 84 2HD1 ILE 84 20.363 -15.655 -2.945 591 HD13 ILE 84 3HD1 ILE 84 20.071 -14.423 -4.173 592 H GLY 85 H GLY 85 15.910 -12.620 -3.319 593 HA2 GLY 85 1HA GLY 85 13.700 -13.414 -4.654 594 HA3 GLY 85 2HA GLY 85 13.684 -14.464 -3.245 595 H ARG 86 H ARG 86 11.592 -13.338 -2.906 596 HA ARG 86 HA ARG 86 11.854 -10.622 -1.855 597 HB2 ARG 86 1HB ARG 86 9.291 -10.901 -1.637 598 HB3 ARG 86 2HB ARG 86 9.986 -10.728 -3.243 599 HG2 ARG 86 1HG ARG 86 9.638 -13.476 -2.191 600 HG3 ARG 86 2HG ARG 86 8.191 -12.585 -2.668 601 HD2 ARG 86 1HD ARG 86 8.701 -13.523 -4.675 602 HD3 ARG 86 2HD ARG 86 9.684 -12.065 -4.800 603 HE ARG 86 HE ARG 86 11.554 -13.375 -4.753 604 HH11 ARG 86 2HH1 ARG 86 8.856 -15.219 -3.552 605 HH12 ARG 86 1HH1 ARG 86 9.743 -16.705 -3.464 606 HH21 ARG 86 2HH2 ARG 86 12.732 -15.325 -4.642 607 HH22 ARG 86 1HH2 ARG 86 11.948 -16.764 -4.084 608 H GLY 87 H GLY 87 12.453 -10.490 0.209 609 HA2 GLY 87 1HA GLY 87 12.261 -12.554 2.101 610 HA3 GLY 87 2HA GLY 87 12.545 -10.859 2.472 611 HA PRO 88 HA PRO 88 8.409 -12.184 4.191 612 HB2 PRO 88 1HB PRO 88 8.905 -11.363 6.731 613 HB3 PRO 88 2HB PRO 88 9.325 -12.977 6.143 614 HG2 PRO 88 1HG PRO 88 11.068 -10.564 6.460 615 HG3 PRO 88 2HG PRO 88 11.412 -12.254 6.870 616 HD2 PRO 88 1HD PRO 88 12.336 -11.086 4.608 617 HD3 PRO 88 2HD PRO 88 11.921 -12.810 4.691 618 HA PRO 89 HA PRO 89 6.817 -8.087 3.808 619 HB2 PRO 89 1HB PRO 89 4.406 -8.446 5.005 620 HB3 PRO 89 2HB PRO 89 4.784 -9.076 3.397 621 HG2 PRO 89 1HG PRO 89 4.790 -10.490 6.035 622 HG3 PRO 89 2HG PRO 89 4.168 -11.045 4.470 623 HD2 PRO 89 1HD PRO 89 6.567 -11.835 5.448 624 HD3 PRO 89 2HD PRO 89 6.260 -11.644 3.709 625 H SER 90 H SER 90 6.648 -6.208 4.970 626 HA SER 90 HA SER 90 7.622 -6.268 7.677 627 HB2 SER 90 1HB SER 90 8.442 -4.514 6.253 628 HB3 SER 90 2HB SER 90 6.804 -3.998 5.854 629 HG SER 90 HG SER 90 6.543 -3.318 7.985 630 H GLU 91 H GLU 91 6.552 -4.905 9.377 631 HA GLU 91 HA GLU 91 4.199 -5.910 10.243 632 HB2 GLU 91 1HB GLU 91 5.491 -3.247 10.665 633 HB3 GLU 91 2HB GLU 91 3.885 -3.526 11.323 634 HG2 GLU 91 1HG GLU 91 4.922 -5.653 12.348 635 HG3 GLU 91 2HG GLU 91 6.464 -4.864 12.019 636 H ALA 92 H ALA 92 2.548 -6.220 8.828 637 HA ALA 92 HA ALA 92 1.635 -4.594 6.819 638 HB1 ALA 92 1HB ALA 92 0.561 -6.588 6.745 639 HB2 ALA 92 2HB ALA 92 0.397 -6.691 8.499 640 HB3 ALA 92 3HB ALA 92 -0.693 -5.662 7.570 641 H VAL 93 H VAL 93 0.616 -2.697 6.686 642 HA VAL 93 HA VAL 93 -0.523 -1.561 9.157 643 HB VAL 93 HB VAL 93 0.044 0.647 8.360 644 HG11 VAL 93 1HG1 VAL 93 2.670 -0.357 7.819 645 HG12 VAL 93 2HG1 VAL 93 2.053 0.420 9.279 646 HG13 VAL 93 3HG1 VAL 93 1.913 -1.327 9.081 647 HG21 VAL 93 1HG2 VAL 93 1.604 -0.369 6.051 648 HG22 VAL 93 2HG2 VAL 93 -0.148 -0.273 5.873 649 HG23 VAL 93 3HG2 VAL 93 0.778 1.174 6.270 650 H ARG 94 H ARG 94 -2.352 -0.138 8.908 651 HA ARG 94 HA ARG 94 -3.913 -0.675 6.467 652 HB2 ARG 94 1HB ARG 94 -4.774 -0.654 9.351 653 HB3 ARG 94 2HB ARG 94 -5.929 -0.421 8.046 654 HG2 ARG 94 1HG ARG 94 -5.239 -2.598 7.100 655 HG3 ARG 94 2HG ARG 94 -4.184 -2.832 8.495 656 HD2 ARG 94 1HD ARG 94 -6.101 -2.740 9.986 657 HD3 ARG 94 2HD ARG 94 -7.170 -2.431 8.618 658 HE ARG 94 HE ARG 94 -5.819 -4.808 8.103 659 HH11 ARG 94 2HH1 ARG 94 -8.113 -3.554 10.402 660 HH12 ARG 94 1HH1 ARG 94 -8.859 -5.091 10.693 661 HH21 ARG 94 2HH2 ARG 94 -6.793 -6.837 8.478 662 HH22 ARG 94 1HH2 ARG 94 -8.107 -6.957 9.599 663 H ALA 95 H ALA 95 -4.831 1.030 5.471 664 HA ALA 95 HA ALA 95 -4.944 3.601 6.878 665 HB1 ALA 95 1HB ALA 95 -2.839 3.476 5.551 666 HB2 ALA 95 2HB ALA 95 -3.824 3.323 4.095 667 HB3 ALA 95 3HB ALA 95 -3.917 4.788 5.073 668 H ARG 96 H ARG 96 -6.903 4.455 6.699 669 HA ARG 96 HA ARG 96 -8.750 3.424 4.710 670 HB2 ARG 96 1HB ARG 96 -9.233 3.898 7.227 671 HB3 ARG 96 2HB ARG 96 -9.423 5.565 6.700 672 HG2 ARG 96 1HG ARG 96 -11.184 4.893 5.159 673 HG3 ARG 96 2HG ARG 96 -10.979 3.211 5.651 674 HD2 ARG 96 1HD ARG 96 -12.886 4.287 6.771 675 HD3 ARG 96 2HD ARG 96 -11.651 3.757 7.912 676 HE ARG 96 HE ARG 96 -10.985 6.331 7.464 677 HH11 ARG 96 2HH1 ARG 96 -13.973 4.773 8.338 678 HH12 ARG 96 1HH1 ARG 96 -14.573 6.133 9.229 679 HH21 ARG 96 2HH2 ARG 96 -11.763 8.128 8.634 680 HH22 ARG 96 1HH2 ARG 96 -13.315 8.041 9.395 681 H THR 97 H THR 97 -9.235 4.413 2.866 682 HA THR 97 HA THR 97 -7.954 6.847 2.117 683 HB THR 97 HB THR 97 -9.022 6.606 -0.014 684 HG1 THR 97 1HG THR 97 -10.765 5.235 -0.327 685 HG21 THR 97 1HG2 THR 97 -8.804 3.821 0.025 686 HG22 THR 97 2HG2 THR 97 -7.700 4.387 1.278 687 HG23 THR 97 3HG2 THR 97 -7.537 4.980 -0.374 688 H GLY 98 H GLY 98 -9.031 8.788 1.363 689 HA2 GLY 98 1HA GLY 98 -11.093 9.617 3.208 690 HA3 GLY 98 2HA GLY 98 -10.284 10.628 2.020 691 H GLU 99 H GLU 99 -13.010 10.817 2.480 692 HA GLU 99 HA GLU 99 -14.287 9.394 0.266 693 HB2 GLU 99 1HB GLU 99 -16.396 10.223 1.195 694 HB3 GLU 99 2HB GLU 99 -15.454 9.376 2.414 695 HG2 GLU 99 1HG GLU 99 -16.085 11.178 3.629 696 HG3 GLU 99 2HG GLU 99 -14.595 11.816 2.937 697 H GLN 100 H GLN 100 -12.375 11.420 -0.346 698 HA GLN 100 HA GLN 100 -13.447 13.929 -0.899 699 HB2 GLN 100 1HB GLN 100 -11.010 12.990 -1.126 700 HB3 GLN 100 2HB GLN 100 -11.496 12.662 -2.784 701 HG2 GLN 100 1HG GLN 100 -11.850 15.377 -1.577 702 HG3 GLN 100 2HG GLN 100 -10.308 14.872 -2.265 703 HE21 GLN 100 1HE2 GLN 100 -13.584 15.760 -2.913 704 HE22 GLN 100 2HE2 GLN 100 -13.438 15.869 -4.631 705 H SER 101 H SER 101 -15.294 14.263 -1.954 706 HA SER 101 HA SER 101 -17.048 13.870 -3.409 707 HB2 SER 101 1HB SER 101 -16.476 14.559 -5.639 708 HB3 SER 101 2HB SER 101 -15.445 15.461 -4.528 709 HG SER 101 HG SER 101 -14.769 13.258 -6.164 710 H GLY 102 H GLY 102 -16.207 11.419 -2.422 711 HA2 GLY 102 1HA GLY 102 -15.696 9.578 -4.572 712 HA3 GLY 102 2HA GLY 102 -16.065 9.161 -2.905 713 HA PRO 103 HA PRO 103 -20.034 7.808 -4.190 714 HB2 PRO 103 1HB PRO 103 -21.428 8.144 -1.885 715 HB3 PRO 103 2HB PRO 103 -20.236 6.858 -2.108 716 HG2 PRO 103 1HG PRO 103 -19.938 9.499 -0.730 717 HG3 PRO 103 2HG PRO 103 -19.359 7.901 -0.224 718 HD2 PRO 103 1HD PRO 103 -17.742 9.733 -1.390 719 HD3 PRO 103 2HD PRO 103 -17.523 7.986 -1.615 720 H SER 104 H SER 104 -22.260 8.500 -4.478 721 HA SER 104 HA SER 104 -22.526 11.436 -4.480 722 HB2 SER 104 1HB SER 104 -24.092 11.081 -6.424 723 HB3 SER 104 2HB SER 104 -22.411 10.661 -6.750 724 HG SER 104 HG SER 104 -24.437 9.134 -7.154 725 H SER 105 H SER 105 -23.225 10.008 -2.215 726 HA SER 105 HA SER 105 -26.162 9.887 -2.321 727 HB2 SER 105 1HB SER 105 -26.002 8.608 -0.207 728 HB3 SER 105 2HB SER 105 -25.112 7.832 -1.516 729 HG SER 105 HG SER 105 -23.767 7.830 0.227 730 H GLY 106 H GLY 106 -27.377 11.290 -1.189 731 HA2 GLY 106 1HA GLY 106 -27.765 12.671 0.747 732 HA3 GLY 106 2HA GLY 106 -26.039 12.993 0.808 Start of MODEL 6 1 H1 GLY 1 H GLY 1 14.318 -17.373 19.149 2 HA2 GLY 1 1HA GLY 1 16.474 -17.482 18.363 3 HA3 GLY 1 2HA GLY 1 16.368 -19.225 18.555 4 H SER 2 H SER 2 16.429 -16.629 16.359 5 HA SER 2 HA SER 2 15.830 -18.465 14.131 6 HB2 SER 2 1HB SER 2 15.496 -15.456 14.217 7 HB3 SER 2 2HB SER 2 15.175 -16.482 12.818 8 HG SER 2 HG SER 2 13.814 -17.556 14.746 9 H SER 3 H SER 3 17.591 -19.062 13.076 10 HA SER 3 HA SER 3 19.745 -17.092 12.694 11 HB2 SER 3 1HB SER 3 21.423 -18.752 13.072 12 HB3 SER 3 2HB SER 3 20.292 -18.864 14.421 13 HG SER 3 HG SER 3 19.515 -20.730 13.640 14 H GLY 4 H GLY 4 20.907 -17.235 10.745 15 HA2 GLY 4 1HA GLY 4 21.289 -17.795 8.538 16 HA3 GLY 4 2HA GLY 4 20.329 -19.246 8.788 17 H SER 5 H SER 5 19.656 -15.744 8.888 18 HA SER 5 HA SER 5 17.034 -15.936 7.955 19 HB2 SER 5 1HB SER 5 18.348 -13.922 8.995 20 HB3 SER 5 2HB SER 5 18.716 -13.535 7.314 21 HG SER 5 HG SER 5 16.601 -12.816 8.547 22 H SER 6 H SER 6 16.434 -16.840 6.101 23 HA SER 6 HA SER 6 18.140 -16.904 3.795 24 HB2 SER 6 1HB SER 6 15.301 -17.817 4.279 25 HB3 SER 6 2HB SER 6 16.106 -17.984 2.719 26 HG SER 6 HG SER 6 17.608 -19.332 3.656 27 H GLY 7 H GLY 7 18.347 -15.329 2.357 28 HA2 GLY 7 1HA GLY 7 17.672 -13.740 0.798 29 HA3 GLY 7 2HA GLY 7 16.031 -13.875 1.412 30 HA PRO 8 HA PRO 8 17.874 -9.808 2.762 31 HB2 PRO 8 1HB PRO 8 15.837 -8.278 1.825 32 HB3 PRO 8 2HB PRO 8 17.229 -8.735 0.836 33 HG2 PRO 8 1HG PRO 8 14.491 -9.942 0.926 34 HG3 PRO 8 2HG PRO 8 15.504 -9.569 -0.481 35 HD2 PRO 8 1HD PRO 8 15.283 -12.070 0.534 36 HD3 PRO 8 2HD PRO 8 16.771 -11.478 -0.232 37 H LYS 9 H LYS 9 16.292 -7.944 3.788 38 HA LYS 9 HA LYS 9 14.599 -9.368 5.736 39 HB2 LYS 9 1HB LYS 9 16.632 -7.216 6.072 40 HB3 LYS 9 2HB LYS 9 15.223 -7.184 7.124 41 HG2 LYS 9 1HG LYS 9 15.802 -9.654 7.593 42 HG3 LYS 9 2HG LYS 9 17.384 -9.240 6.928 43 HD2 LYS 9 1HD LYS 9 16.123 -7.587 9.091 44 HD3 LYS 9 2HD LYS 9 17.038 -9.048 9.472 45 HE2 LYS 9 1HE LYS 9 18.821 -7.920 7.885 46 HE3 LYS 9 2HE LYS 9 17.970 -6.450 8.357 47 HZ1 LYS 9 1HZ LYS 9 19.545 -8.295 10.012 48 HZ2 LYS 9 2HZ LYS 9 18.286 -7.423 10.730 49 HZ3 LYS 9 3HZ LYS 9 19.560 -6.603 9.978 50 HA PRO 10 HA PRO 10 11.204 -6.804 4.662 51 HB2 PRO 10 1HB PRO 10 9.980 -6.473 7.063 52 HB3 PRO 10 2HB PRO 10 9.959 -8.003 6.176 53 HG2 PRO 10 1HG PRO 10 11.696 -7.164 8.466 54 HG3 PRO 10 2HG PRO 10 10.880 -8.714 8.190 55 HD2 PRO 10 1HD PRO 10 13.513 -8.342 7.678 56 HD3 PRO 10 2HD PRO 10 12.503 -9.452 6.729 57 HA PRO 11 HA PRO 11 12.360 -2.594 5.318 58 HB2 PRO 11 1HB PRO 11 10.052 -1.399 4.533 59 HB3 PRO 11 2HB PRO 11 11.190 -2.132 3.396 60 HG2 PRO 11 1HG PRO 11 8.649 -3.248 4.518 61 HG3 PRO 11 2HG PRO 11 9.259 -3.309 2.854 62 HD2 PRO 11 1HD PRO 11 9.470 -5.400 4.562 63 HD3 PRO 11 2HD PRO 11 10.681 -5.066 3.307 64 H ILE 12 H ILE 12 12.178 -1.005 6.852 65 HA ILE 12 HA ILE 12 10.148 -1.443 8.942 66 HB ILE 12 HB ILE 12 11.695 -0.394 10.521 67 HG12 ILE 12 1HG1 ILE 12 13.738 -0.427 8.296 68 HG13 ILE 12 2HG1 ILE 12 12.843 1.014 8.765 69 HG21 ILE 12 1HG2 ILE 12 12.105 -2.585 10.788 70 HG22 ILE 12 2HG2 ILE 12 12.294 -2.862 9.058 71 HG23 ILE 12 3HG2 ILE 12 13.639 -2.218 9.999 72 HD11 ILE 12 1HD1 ILE 12 13.865 0.117 11.150 73 HD12 ILE 12 2HD1 ILE 12 15.154 -0.231 9.998 74 HD13 ILE 12 3HD1 ILE 12 14.529 1.411 10.152 75 H ASP 13 H ASP 13 9.797 0.645 10.277 76 HA ASP 13 HA ASP 13 8.927 2.744 10.379 77 HB2 ASP 13 1HB ASP 13 11.356 3.153 9.440 78 HB3 ASP 13 2HB ASP 13 10.487 3.593 7.972 79 H LEU 14 H LEU 14 7.581 0.752 8.827 80 HA LEU 14 HA LEU 14 6.629 1.868 6.385 81 HB2 LEU 14 1HB LEU 14 6.626 -0.588 7.209 82 HB3 LEU 14 2HB LEU 14 5.115 -0.147 8.002 83 HG LEU 14 HG LEU 14 4.167 0.450 5.803 84 HD11 LEU 14 1HD1 LEU 14 6.923 -0.235 4.927 85 HD12 LEU 14 2HD1 LEU 14 5.836 1.032 4.360 86 HD13 LEU 14 3HD1 LEU 14 5.578 -0.639 3.860 87 HD21 LEU 14 1HD2 LEU 14 5.084 -2.259 6.540 88 HD22 LEU 14 2HD2 LEU 14 4.498 -2.052 4.889 89 HD23 LEU 14 3HD2 LEU 14 3.454 -1.647 6.253 90 H VAL 15 H VAL 15 5.633 3.795 6.470 91 HA VAL 15 HA VAL 15 3.118 3.956 7.923 92 HB VAL 15 HB VAL 15 4.876 6.344 8.199 93 HG11 VAL 15 1HG1 VAL 15 2.364 5.966 8.893 94 HG12 VAL 15 2HG1 VAL 15 3.103 5.245 10.324 95 HG13 VAL 15 3HG1 VAL 15 3.454 6.921 9.899 96 HG21 VAL 15 1HG2 VAL 15 6.274 4.414 8.903 97 HG22 VAL 15 2HG2 VAL 15 5.907 5.533 10.214 98 HG23 VAL 15 3HG2 VAL 15 5.039 4.003 10.093 99 H VAL 16 H VAL 16 1.625 5.293 6.970 100 HA VAL 16 HA VAL 16 2.329 6.268 4.309 101 HB VAL 16 HB VAL 16 0.357 4.877 4.419 102 HG11 VAL 16 1HG1 VAL 16 -0.180 6.439 6.789 103 HG12 VAL 16 2HG1 VAL 16 -1.581 6.391 5.718 104 HG13 VAL 16 3HG1 VAL 16 -0.852 4.888 6.287 105 HG21 VAL 16 1HG2 VAL 16 -1.359 6.878 3.799 106 HG22 VAL 16 2HG2 VAL 16 0.189 7.708 3.638 107 HG23 VAL 16 3HG2 VAL 16 -0.131 6.249 2.700 108 H THR 17 H THR 17 2.369 8.366 3.737 109 HA THR 17 HA THR 17 2.052 10.342 5.863 110 HB THR 17 HB THR 17 4.129 10.391 4.541 111 HG1 THR 17 1HG THR 17 3.843 12.407 5.178 112 HG21 THR 17 1HG2 THR 17 2.455 11.285 2.202 113 HG22 THR 17 2HG2 THR 17 2.994 9.618 2.408 114 HG23 THR 17 3HG2 THR 17 4.178 10.913 2.231 115 H GLU 18 H GLU 18 1.042 9.896 2.473 116 HA GLU 18 HA GLU 18 -1.225 11.701 3.011 117 HB2 GLU 18 1HB GLU 18 0.388 11.210 0.524 118 HB3 GLU 18 2HB GLU 18 -1.240 11.867 0.426 119 HG2 GLU 18 1HG GLU 18 -0.635 13.809 1.620 120 HG3 GLU 18 2HG GLU 18 0.908 13.113 2.111 121 H THR 19 H THR 19 -3.269 11.161 2.143 122 HA THR 19 HA THR 19 -3.590 8.434 1.123 123 HB THR 19 HB THR 19 -5.736 8.463 2.712 124 HG1 THR 19 1HG THR 19 -3.945 10.309 3.797 125 HG21 THR 19 1HG2 THR 19 -3.166 7.729 4.041 126 HG22 THR 19 2HG2 THR 19 -3.628 6.903 2.553 127 HG23 THR 19 3HG2 THR 19 -4.686 6.839 3.963 128 H THR 20 H THR 20 -4.551 8.726 -0.778 129 HA THR 20 HA THR 20 -6.493 10.889 -1.108 130 HB THR 20 HB THR 20 -5.738 9.131 -3.391 131 HG1 THR 20 1HG THR 20 -3.696 9.459 -2.745 132 HG21 THR 20 1HG2 THR 20 -5.493 11.750 -4.152 133 HG22 THR 20 2HG2 THR 20 -6.749 11.839 -2.917 134 HG23 THR 20 3HG2 THR 20 -6.956 10.780 -4.312 135 H ALA 21 H ALA 21 -8.457 10.418 -2.415 136 HA ALA 21 HA ALA 21 -10.015 8.422 -1.212 137 HB1 ALA 21 1HB ALA 21 -10.388 10.235 -3.552 138 HB2 ALA 21 2HB ALA 21 -11.548 8.936 -3.267 139 HB3 ALA 21 3HB ALA 21 -11.276 10.162 -2.029 140 H THR 22 H THR 22 -8.265 8.487 -4.273 141 HA THR 22 HA THR 22 -8.853 5.615 -4.585 142 HB THR 22 HB THR 22 -8.784 5.845 -6.985 143 HG1 THR 22 1HG THR 22 -8.711 8.181 -7.740 144 HG21 THR 22 1HG2 THR 22 -10.684 7.552 -7.294 145 HG22 THR 22 2HG2 THR 22 -10.584 7.772 -5.547 146 HG23 THR 22 3HG2 THR 22 -10.969 6.187 -6.215 147 H SER 23 H SER 23 -6.590 7.165 -3.311 148 HA SER 23 HA SER 23 -4.474 5.510 -4.307 149 HB2 SER 23 1HB SER 23 -4.049 8.490 -4.568 150 HB3 SER 23 2HB SER 23 -2.985 7.194 -5.114 151 HG SER 23 HG SER 23 -5.542 7.865 -6.144 152 H VAL 24 H VAL 24 -2.380 6.007 -3.120 153 HA VAL 24 HA VAL 24 -2.628 7.467 -0.641 154 HB VAL 24 HB VAL 24 -2.301 4.463 -0.574 155 HG11 VAL 24 1HG1 VAL 24 -1.921 6.599 1.481 156 HG12 VAL 24 2HG1 VAL 24 -2.480 4.997 1.968 157 HG13 VAL 24 3HG1 VAL 24 -0.932 5.179 1.142 158 HG21 VAL 24 1HG2 VAL 24 -4.384 4.544 0.775 159 HG22 VAL 24 2HG2 VAL 24 -4.520 6.261 0.397 160 HG23 VAL 24 3HG2 VAL 24 -4.610 5.064 -0.895 161 H THR 25 H THR 25 -0.625 7.620 0.520 162 HA THR 25 HA THR 25 1.719 6.922 -1.127 163 HB THR 25 HB THR 25 1.612 9.263 0.770 164 HG1 THR 25 1HG THR 25 0.854 9.088 -1.957 165 HG21 THR 25 1HG2 THR 25 3.770 9.437 0.251 166 HG22 THR 25 2HG2 THR 25 3.334 9.647 -1.445 167 HG23 THR 25 3HG2 THR 25 3.647 8.033 -0.808 168 H LEU 26 H LEU 26 2.774 5.292 -0.202 169 HA LEU 26 HA LEU 26 2.961 5.215 2.734 170 HB2 LEU 26 1HB LEU 26 1.914 3.283 1.458 171 HB3 LEU 26 2HB LEU 26 3.533 2.941 0.853 172 HG LEU 26 HG LEU 26 4.226 2.751 3.303 173 HD11 LEU 26 1HD1 LEU 26 2.595 2.421 4.948 174 HD12 LEU 26 2HD1 LEU 26 1.298 2.279 3.762 175 HD13 LEU 26 3HD1 LEU 26 2.049 3.846 4.063 176 HD21 LEU 26 1HD2 LEU 26 4.268 0.657 2.537 177 HD22 LEU 26 2HD2 LEU 26 2.808 0.889 1.575 178 HD23 LEU 26 3HD2 LEU 26 2.682 0.470 3.284 179 H THR 27 H THR 27 4.911 5.199 3.730 180 HA THR 27 HA THR 27 7.303 5.267 2.007 181 HB THR 27 HB THR 27 8.254 6.735 3.938 182 HG1 THR 27 1HG THR 27 6.810 7.655 5.239 183 HG21 THR 27 1HG2 THR 27 7.316 7.303 1.464 184 HG22 THR 27 2HG2 THR 27 8.017 8.505 2.549 185 HG23 THR 27 3HG2 THR 27 6.266 8.322 2.447 186 H TRP 28 H TRP 28 9.344 4.787 3.239 187 HA TRP 28 HA TRP 28 9.307 3.414 5.695 188 HB2 TRP 28 1HB TRP 28 9.647 1.112 4.942 189 HB3 TRP 28 2HB TRP 28 8.080 1.712 4.406 190 HD1 TRP 28 HD TRP 28 11.466 0.576 3.080 191 HE1 TRP 28 1HE TRP 28 11.302 0.273 0.529 192 HE3 TRP 28 3HE TRP 28 6.824 2.580 2.323 193 HZ2 TRP 28 2HZ TRP 28 9.449 0.813 -1.531 194 HZ3 TRP 28 3HZ TRP 28 5.929 2.649 0.032 195 HH2 TRP 28 HH TRP 28 7.216 1.784 -1.854 196 H ASP 29 H ASP 29 11.409 2.044 5.926 197 HA ASP 29 HA ASP 29 13.560 3.565 4.617 198 HB2 ASP 29 1HB ASP 29 13.238 2.398 7.342 199 HB3 ASP 29 2HB ASP 29 14.860 2.460 6.658 200 H SER 30 H SER 30 15.464 2.465 3.948 201 HA SER 30 HA SER 30 15.147 0.255 2.392 202 HB2 SER 30 1HB SER 30 17.539 1.435 3.748 203 HB3 SER 30 2HB SER 30 17.711 -0.105 2.906 204 HG SER 30 HG SER 30 17.143 2.437 1.887 205 H GLY 31 H GLY 31 16.363 0.251 5.741 206 HA2 GLY 31 1HA GLY 31 16.042 -1.363 7.379 207 HA3 GLY 31 2HA GLY 31 15.157 -2.331 6.210 208 H ASN 32 H ASN 32 17.205 -2.397 4.213 209 HA ASN 32 HA ASN 32 19.078 -4.231 5.546 210 HB2 ASN 32 1HB ASN 32 18.027 -4.134 2.718 211 HB3 ASN 32 2HB ASN 32 19.395 -5.138 3.187 212 HD21 ASN 32 1HD2 ASN 32 15.998 -4.496 3.849 213 HD22 ASN 32 2HD2 ASN 32 15.612 -6.094 4.381 214 H SER 33 H SER 33 21.194 -4.462 4.188 215 HA SER 33 HA SER 33 22.189 -1.742 3.646 216 HB2 SER 33 1HB SER 33 23.741 -4.115 4.709 217 HB3 SER 33 2HB SER 33 24.385 -2.498 4.428 218 HG SER 33 HG SER 33 22.257 -3.094 6.209 219 H GLU 34 H GLU 34 21.786 -4.926 2.440 220 HA GLU 34 HA GLU 34 23.802 -4.746 0.394 221 HB2 GLU 34 1HB GLU 34 22.812 -6.841 -0.447 222 HB3 GLU 34 2HB GLU 34 23.182 -6.925 1.270 223 HG2 GLU 34 1HG GLU 34 20.850 -6.571 1.819 224 HG3 GLU 34 2HG GLU 34 20.455 -6.399 0.110 225 HA PRO 35 HA PRO 35 21.545 -2.643 -2.729 226 HB2 PRO 35 1HB PRO 35 22.535 -3.823 -4.964 227 HB3 PRO 35 2HB PRO 35 23.471 -2.693 -3.980 228 HG2 PRO 35 1HG PRO 35 23.535 -5.685 -4.004 229 HG3 PRO 35 2HG PRO 35 24.885 -4.538 -3.933 230 HD2 PRO 35 1HD PRO 35 23.943 -5.816 -1.739 231 HD3 PRO 35 2HD PRO 35 24.626 -4.179 -1.671 232 H VAL 36 H VAL 36 19.453 -3.494 -2.162 233 HA VAL 36 HA VAL 36 18.472 -5.964 -3.132 234 HB VAL 36 HB VAL 36 16.601 -3.686 -2.688 235 HG11 VAL 36 1HG1 VAL 36 16.490 -6.531 -2.776 236 HG12 VAL 36 2HG1 VAL 36 15.998 -5.994 -1.168 237 HG13 VAL 36 3HG1 VAL 36 15.168 -5.377 -2.598 238 HG21 VAL 36 1HG2 VAL 36 17.911 -3.137 -0.883 239 HG22 VAL 36 2HG2 VAL 36 16.860 -4.357 -0.164 240 HG23 VAL 36 3HG2 VAL 36 18.495 -4.788 -0.665 241 H THR 37 H THR 37 17.298 -6.481 -4.937 242 HA THR 37 HA THR 37 17.774 -4.973 -7.288 243 HB THR 37 HB THR 37 15.821 -7.246 -6.876 244 HG1 THR 37 1HG THR 37 18.588 -7.122 -7.332 245 HG21 THR 37 1HG2 THR 37 15.802 -7.514 -9.232 246 HG22 THR 37 2HG2 THR 37 17.122 -6.365 -9.446 247 HG23 THR 37 3HG2 THR 37 15.533 -5.797 -8.938 248 H TYR 38 H TYR 38 14.731 -5.719 -5.579 249 HA TYR 38 HA TYR 38 13.701 -3.088 -6.086 250 HB2 TYR 38 1HB TYR 38 11.938 -3.606 -7.562 251 HB3 TYR 38 2HB TYR 38 13.345 -4.406 -8.253 252 HD1 TYR 38 1HD TYR 38 10.140 -4.901 -6.540 253 HD2 TYR 38 2HD TYR 38 13.508 -6.822 -8.293 254 HE1 TYR 38 1HE TYR 38 8.918 -7.036 -6.535 255 HE2 TYR 38 2HE TYR 38 12.295 -8.961 -8.294 256 HH TYR 38 HH TYR 38 10.038 -9.796 -6.598 257 H TYR 39 H TYR 39 11.386 -2.918 -5.290 258 HA TYR 39 HA TYR 39 10.991 -4.762 -3.025 259 HB2 TYR 39 1HB TYR 39 10.508 -1.787 -3.206 260 HB3 TYR 39 2HB TYR 39 9.867 -2.785 -1.905 261 HD1 TYR 39 1HD TYR 39 13.163 -2.317 -3.621 262 HD2 TYR 39 2HD TYR 39 11.060 -2.705 0.057 263 HE1 TYR 39 1HE TYR 39 15.278 -2.063 -2.392 264 HE2 TYR 39 2HE TYR 39 13.169 -2.450 1.296 265 HH TYR 39 HH TYR 39 15.548 -2.715 0.954 266 H GLY 40 H GLY 40 8.965 -5.558 -2.648 267 HA2 GLY 40 1HA GLY 40 6.988 -5.034 -4.764 268 HA3 GLY 40 2HA GLY 40 7.064 -6.487 -3.779 269 H ILE 41 H ILE 41 4.710 -5.024 -4.187 270 HA ILE 41 HA ILE 41 4.168 -4.177 -1.429 271 HB ILE 41 HB ILE 41 3.156 -2.714 -3.871 272 HG12 ILE 41 1HG1 ILE 41 5.183 -1.911 -1.773 273 HG13 ILE 41 2HG1 ILE 41 5.510 -2.227 -3.473 274 HG21 ILE 41 1HG2 ILE 41 2.061 -2.928 -1.303 275 HG22 ILE 41 2HG2 ILE 41 2.823 -1.340 -1.372 276 HG23 ILE 41 3HG2 ILE 41 1.611 -1.789 -2.572 277 HD11 ILE 41 1HD1 ILE 41 3.934 -0.314 -3.983 278 HD12 ILE 41 2HD1 ILE 41 4.016 0.073 -2.264 279 HD13 ILE 41 3HD1 ILE 41 5.480 0.105 -3.245 280 H GLN 42 H GLN 42 2.303 -4.937 -0.597 281 HA GLN 42 HA GLN 42 0.397 -6.219 -2.437 282 HB2 GLN 42 1HB GLN 42 1.466 -7.276 0.179 283 HB3 GLN 42 2HB GLN 42 0.025 -7.920 -0.598 284 HG2 GLN 42 1HG GLN 42 1.260 -8.689 -2.462 285 HG3 GLN 42 2HG GLN 42 2.696 -7.795 -1.964 286 HE21 GLN 42 1HE2 GLN 42 3.857 -9.770 -2.095 287 HE22 GLN 42 2HE2 GLN 42 3.764 -10.933 -0.822 288 H TYR 43 H TYR 43 -1.618 -5.509 -2.233 289 HA TYR 43 HA TYR 43 -2.609 -4.620 0.358 290 HB2 TYR 43 1HB TYR 43 -3.439 -2.491 -0.533 291 HB3 TYR 43 2HB TYR 43 -1.685 -2.581 -0.645 292 HD1 TYR 43 1HD TYR 43 -0.641 -3.119 -2.882 293 HD2 TYR 43 2HD TYR 43 -4.760 -2.142 -2.454 294 HE1 TYR 43 1HE TYR 43 -0.763 -2.606 -5.284 295 HE2 TYR 43 2HE TYR 43 -4.894 -1.628 -4.855 296 HH TYR 43 HH TYR 43 -2.187 -1.210 -6.798 297 H ARG 44 H ARG 44 -4.893 -4.551 0.499 298 HA ARG 44 HA ARG 44 -6.616 -5.070 -1.681 299 HB2 ARG 44 1HB ARG 44 -5.973 -7.273 -1.859 300 HB3 ARG 44 2HB ARG 44 -5.569 -7.405 -0.153 301 HG2 ARG 44 1HG ARG 44 -7.876 -7.577 0.450 302 HG3 ARG 44 2HG ARG 44 -8.381 -7.224 -1.204 303 HD2 ARG 44 1HD ARG 44 -6.868 -9.330 -1.727 304 HD3 ARG 44 2HD ARG 44 -7.243 -9.716 -0.047 305 HE ARG 44 HE ARG 44 -9.404 -10.177 -0.665 306 HH11 ARG 44 2HH1 ARG 44 -7.786 -8.511 -3.259 307 HH12 ARG 44 1HH1 ARG 44 -9.065 -8.772 -4.399 308 HH21 ARG 44 2HH2 ARG 44 -11.095 -10.527 -2.156 309 HH22 ARG 44 1HH2 ARG 44 -10.947 -9.918 -3.770 310 H ALA 45 H ALA 45 -8.803 -5.042 -1.086 311 HA ALA 45 HA ALA 45 -9.673 -3.457 0.880 312 HB1 ALA 45 1HB ALA 45 -11.021 -4.705 -0.914 313 HB2 ALA 45 2HB ALA 45 -11.237 -5.952 0.316 314 HB3 ALA 45 3HB ALA 45 -11.824 -4.314 0.608 315 H ALA 46 H ALA 46 -9.459 -3.392 3.010 316 HA ALA 46 HA ALA 46 -8.472 -5.578 4.527 317 HB1 ALA 46 1HB ALA 46 -7.923 -3.916 5.887 318 HB2 ALA 46 2HB ALA 46 -8.872 -2.793 4.913 319 HB3 ALA 46 3HB ALA 46 -9.628 -3.651 6.256 320 H GLY 47 H GLY 47 -9.731 -7.346 4.728 321 HA2 GLY 47 1HA GLY 47 -11.730 -7.614 6.541 322 HA3 GLY 47 2HA GLY 47 -12.588 -7.143 5.081 323 H THR 48 H THR 48 -11.294 -8.467 3.111 324 HA THR 48 HA THR 48 -12.192 -11.164 3.540 325 HB THR 48 HB THR 48 -10.663 -10.323 1.102 326 HG1 THR 48 1HG THR 48 -12.077 -8.661 1.177 327 HG21 THR 48 1HG2 THR 48 -12.101 -11.874 -0.017 328 HG22 THR 48 2HG2 THR 48 -13.140 -12.019 1.401 329 HG23 THR 48 3HG2 THR 48 -11.500 -12.666 1.439 330 H GLU 49 H GLU 49 -10.961 -13.052 3.458 331 HA GLU 49 HA GLU 49 -8.116 -12.665 4.095 332 HB2 GLU 49 1HB GLU 49 -9.648 -15.193 4.625 333 HB3 GLU 49 2HB GLU 49 -8.188 -14.607 5.408 334 HG2 GLU 49 1HG GLU 49 -10.661 -12.991 5.681 335 HG3 GLU 49 2HG GLU 49 -10.544 -14.500 6.585 336 H GLY 50 H GLY 50 -8.081 -12.444 1.604 337 HA2 GLY 50 1HA GLY 50 -7.491 -15.123 0.515 338 HA3 GLY 50 2HA GLY 50 -8.388 -13.944 -0.430 339 HA PRO 51 HA PRO 51 -3.966 -13.514 -1.636 340 HB2 PRO 51 1HB PRO 51 -4.498 -13.133 -4.271 341 HB3 PRO 51 2HB PRO 51 -4.345 -14.737 -3.544 342 HG2 PRO 51 1HG PRO 51 -6.818 -13.186 -4.205 343 HG3 PRO 51 2HG PRO 51 -6.477 -14.908 -4.457 344 HD2 PRO 51 1HD PRO 51 -7.966 -14.006 -2.383 345 HD3 PRO 51 2HD PRO 51 -6.939 -15.449 -2.264 346 H PHE 52 H PHE 52 -2.965 -11.602 -1.561 347 HA PHE 52 HA PHE 52 -4.556 -9.176 -1.946 348 HB2 PHE 52 1HB PHE 52 -2.093 -9.852 -0.407 349 HB3 PHE 52 2HB PHE 52 -2.283 -8.195 -0.972 350 HD1 PHE 52 2HD PHE 52 -5.136 -10.301 -0.039 351 HD2 PHE 52 1HD PHE 52 -2.453 -7.247 1.220 352 HE1 PHE 52 2HE PHE 52 -6.594 -9.818 1.883 353 HE2 PHE 52 1HE PHE 52 -3.906 -6.759 3.145 354 HZ PHE 52 HZ PHE 52 -5.980 -8.044 3.477 355 H GLN 53 H GLN 53 -3.783 -7.422 -3.202 356 HA GLN 53 HA GLN 53 -2.892 -8.007 -5.730 357 HB2 GLN 53 1HB GLN 53 -2.631 -5.449 -4.152 358 HB3 GLN 53 2HB GLN 53 -2.244 -5.566 -5.863 359 HG2 GLN 53 1HG GLN 53 -4.680 -6.571 -5.985 360 HG3 GLN 53 2HG GLN 53 -4.877 -5.640 -4.501 361 HE21 GLN 53 1HE2 GLN 53 -6.021 -3.917 -5.060 362 HE22 GLN 53 2HE2 GLN 53 -5.645 -2.838 -6.355 363 H GLU 54 H GLU 54 -0.855 -7.294 -6.806 364 HA GLU 54 HA GLU 54 1.513 -7.452 -5.099 365 HB2 GLU 54 1HB GLU 54 0.739 -9.747 -6.101 366 HB3 GLU 54 2HB GLU 54 1.443 -9.120 -7.584 367 HG2 GLU 54 1HG GLU 54 3.591 -9.056 -6.682 368 HG3 GLU 54 2HG GLU 54 2.996 -9.159 -5.026 369 H VAL 55 H VAL 55 2.952 -5.962 -5.662 370 HA VAL 55 HA VAL 55 2.968 -4.992 -8.444 371 HB VAL 55 HB VAL 55 3.261 -3.302 -5.956 372 HG11 VAL 55 1HG1 VAL 55 4.014 -1.588 -7.204 373 HG12 VAL 55 2HG1 VAL 55 4.523 -2.862 -8.313 374 HG13 VAL 55 3HG1 VAL 55 3.002 -2.011 -8.584 375 HG21 VAL 55 1HG2 VAL 55 0.969 -4.123 -7.405 376 HG22 VAL 55 2HG2 VAL 55 1.066 -2.981 -6.065 377 HG23 VAL 55 3HG2 VAL 55 1.220 -2.407 -7.725 378 H ASP 56 H ASP 56 4.880 -5.204 -9.387 379 HA ASP 56 HA ASP 56 7.284 -5.313 -7.684 380 HB2 ASP 56 1HB ASP 56 8.262 -6.895 -9.179 381 HB3 ASP 56 2HB ASP 56 6.633 -7.468 -8.831 382 H GLY 57 H GLY 57 9.040 -4.102 -8.248 383 HA2 GLY 57 1HA GLY 57 10.302 -2.971 -10.034 384 HA3 GLY 57 2HA GLY 57 8.755 -2.426 -10.665 385 H VAL 58 H VAL 58 9.802 -2.460 -7.289 386 HA VAL 58 HA VAL 58 9.514 0.473 -7.270 387 HB VAL 58 HB VAL 58 9.259 -1.372 -4.894 388 HG11 VAL 58 1HG1 VAL 58 9.655 1.362 -5.028 389 HG12 VAL 58 2HG1 VAL 58 7.914 1.197 -4.791 390 HG13 VAL 58 3HG1 VAL 58 9.035 0.460 -3.645 391 HG21 VAL 58 1HG2 VAL 58 6.838 -0.066 -5.903 392 HG22 VAL 58 2HG2 VAL 58 7.497 -1.304 -6.972 393 HG23 VAL 58 3HG2 VAL 58 7.078 -1.709 -5.308 394 H ALA 59 H ALA 59 11.694 0.833 -7.863 395 HA ALA 59 HA ALA 59 13.792 -0.167 -6.118 396 HB1 ALA 59 1HB ALA 59 14.815 -0.131 -8.105 397 HB2 ALA 59 2HB ALA 59 13.653 1.008 -8.786 398 HB3 ALA 59 3HB ALA 59 15.006 1.599 -7.821 399 H THR 60 H THR 60 11.795 1.634 -5.009 400 HA THR 60 HA THR 60 13.615 3.748 -4.087 401 HB THR 60 HB THR 60 11.554 5.260 -3.942 402 HG1 THR 60 1HG THR 60 10.229 3.253 -4.627 403 HG21 THR 60 1HG2 THR 60 13.500 5.157 -5.742 404 HG22 THR 60 2HG2 THR 60 12.135 6.260 -5.916 405 HG23 THR 60 3HG2 THR 60 12.159 4.738 -6.807 406 H THR 61 H THR 61 12.644 4.854 -2.082 407 HA THR 61 HA THR 61 11.889 2.738 -0.231 408 HB THR 61 HB THR 61 12.221 4.579 1.502 409 HG1 THR 61 1HG THR 61 12.416 6.507 0.658 410 HG21 THR 61 1HG2 THR 61 14.806 4.429 0.140 411 HG22 THR 61 2HG2 THR 61 13.997 2.870 0.299 412 HG23 THR 61 3HG2 THR 61 14.329 3.841 1.733 413 H ARG 62 H ARG 62 10.470 5.401 -1.876 414 HA ARG 62 HA ARG 62 8.041 5.123 -0.229 415 HB2 ARG 62 1HB ARG 62 8.860 7.323 0.137 416 HB3 ARG 62 2HB ARG 62 9.200 7.558 -1.572 417 HG2 ARG 62 1HG ARG 62 6.809 7.560 -2.056 418 HG3 ARG 62 2HG ARG 62 6.462 7.309 -0.344 419 HD2 ARG 62 1HD ARG 62 6.197 9.640 -0.844 420 HD3 ARG 62 2HD ARG 62 7.640 9.439 0.149 421 HE ARG 62 HE ARG 62 7.526 10.302 -2.612 422 HH11 ARG 62 2HH1 ARG 62 9.497 9.104 -0.005 423 HH12 ARG 62 1HH1 ARG 62 10.980 9.688 -0.684 424 HH21 ARG 62 2HH2 ARG 62 9.471 11.076 -3.517 425 HH22 ARG 62 1HH2 ARG 62 10.964 10.811 -2.681 426 H TYR 63 H TYR 63 6.182 4.635 -1.249 427 HA TYR 63 HA TYR 63 6.022 4.915 -4.156 428 HB2 TYR 63 1HB TYR 63 6.836 2.623 -3.718 429 HB3 TYR 63 2HB TYR 63 5.427 2.326 -2.706 430 HD1 TYR 63 1HD TYR 63 6.638 2.723 -6.139 431 HD2 TYR 63 2HD TYR 63 3.231 2.002 -3.694 432 HE1 TYR 63 1HE TYR 63 5.382 1.980 -8.119 433 HE2 TYR 63 2HE TYR 63 1.966 1.256 -5.667 434 HH TYR 63 HH TYR 63 2.415 0.350 -7.908 435 H SER 64 H SER 64 3.931 5.101 -4.967 436 HA SER 64 HA SER 64 1.844 5.472 -2.919 437 HB2 SER 64 1HB SER 64 2.071 6.852 -5.605 438 HB3 SER 64 2HB SER 64 0.851 7.163 -4.370 439 HG SER 64 HG SER 64 2.334 8.133 -3.122 440 H ILE 65 H ILE 65 0.078 4.250 -3.050 441 HA ILE 65 HA ILE 65 -0.224 2.486 -5.360 442 HB ILE 65 HB ILE 65 -1.600 2.442 -2.672 443 HG12 ILE 65 1HG1 ILE 65 -0.219 0.161 -2.735 444 HG13 ILE 65 2HG1 ILE 65 0.807 1.103 -3.811 445 HG21 ILE 65 1HG2 ILE 65 -3.009 1.549 -4.484 446 HG22 ILE 65 2HG2 ILE 65 -1.721 0.422 -4.907 447 HG23 ILE 65 3HG2 ILE 65 -2.518 0.301 -3.338 448 HD11 ILE 65 1HD1 ILE 65 0.004 2.078 -1.091 449 HD12 ILE 65 2HD1 ILE 65 1.437 1.087 -1.370 450 HD13 ILE 65 3HD1 ILE 65 1.298 2.671 -2.132 451 H GLY 66 H GLY 66 -2.099 2.345 -6.580 452 HA2 GLY 66 1HA GLY 66 -4.185 4.354 -6.054 453 HA3 GLY 66 2HA GLY 66 -3.418 4.298 -7.634 454 H GLY 67 H GLY 67 -6.117 4.037 -7.489 455 HA2 GLY 67 1HA GLY 67 -7.600 2.654 -8.668 456 HA3 GLY 67 2HA GLY 67 -6.462 1.326 -8.498 457 H LEU 68 H LEU 68 -7.483 3.282 -5.787 458 HA LEU 68 HA LEU 68 -8.798 0.910 -4.660 459 HB2 LEU 68 1HB LEU 68 -7.770 3.377 -3.267 460 HB3 LEU 68 2HB LEU 68 -8.457 1.955 -2.484 461 HG LEU 68 HG LEU 68 -5.921 1.919 -4.114 462 HD11 LEU 68 1HD1 LEU 68 -4.918 2.905 -2.397 463 HD12 LEU 68 2HD1 LEU 68 -5.323 1.489 -1.427 464 HD13 LEU 68 3HD1 LEU 68 -6.401 2.885 -1.442 465 HD21 LEU 68 1HD2 LEU 68 -5.800 -0.280 -3.691 466 HD22 LEU 68 2HD2 LEU 68 -7.539 -0.154 -3.423 467 HD23 LEU 68 3HD2 LEU 68 -6.429 -0.103 -2.053 468 H SER 69 H SER 69 -10.452 1.762 -2.831 469 HA SER 69 HA SER 69 -12.396 3.395 -4.312 470 HB2 SER 69 1HB SER 69 -13.381 1.306 -3.868 471 HB3 SER 69 2HB SER 69 -12.696 1.227 -2.245 472 HG SER 69 HG SER 69 -14.237 2.523 -1.508 473 HA PRO 70 HA PRO 70 -12.061 6.663 -1.388 474 HB2 PRO 70 1HB PRO 70 -14.517 7.781 -1.688 475 HB3 PRO 70 2HB PRO 70 -13.237 7.935 -2.897 476 HG2 PRO 70 1HG PRO 70 -15.578 6.071 -2.844 477 HG3 PRO 70 2HG PRO 70 -14.918 6.999 -4.203 478 HD2 PRO 70 1HD PRO 70 -14.399 4.365 -3.849 479 HD3 PRO 70 2HD PRO 70 -13.227 5.479 -4.583 480 H PHE 71 H PHE 71 -12.225 6.670 0.760 481 HA PHE 71 HA PHE 71 -13.016 6.382 2.876 482 HB2 PHE 71 1HB PHE 71 -15.128 7.372 1.760 483 HB3 PHE 71 2HB PHE 71 -15.732 5.719 1.769 484 HD1 PHE 71 2HD PHE 71 -13.757 7.612 4.294 485 HD2 PHE 71 1HD PHE 71 -17.396 5.612 3.359 486 HE1 PHE 71 2HE PHE 71 -14.511 7.906 6.618 487 HE2 PHE 71 1HE PHE 71 -18.156 5.903 5.681 488 HZ PHE 71 HZ PHE 71 -16.713 7.050 7.314 489 H SER 72 H SER 72 -11.703 4.284 1.791 490 HA SER 72 HA SER 72 -13.145 1.984 2.921 491 HB2 SER 72 1HB SER 72 -12.200 0.539 1.160 492 HB3 SER 72 2HB SER 72 -13.230 1.796 0.476 493 HG SER 72 HG SER 72 -11.146 2.992 0.238 494 H GLU 73 H GLU 73 -11.686 0.193 3.548 495 HA GLU 73 HA GLU 73 -9.156 1.276 4.586 496 HB2 GLU 73 1HB GLU 73 -11.087 0.277 6.079 497 HB3 GLU 73 2HB GLU 73 -10.366 -1.257 5.612 498 HG2 GLU 73 1HG GLU 73 -8.238 -0.575 6.543 499 HG3 GLU 73 2HG GLU 73 -8.902 1.007 6.949 500 H TYR 74 H TYR 74 -7.246 0.326 4.123 501 HA TYR 74 HA TYR 74 -7.227 -2.269 2.775 502 HB2 TYR 74 1HB TYR 74 -6.321 0.328 1.601 503 HB3 TYR 74 2HB TYR 74 -5.436 -1.140 1.201 504 HD1 TYR 74 1HD TYR 74 -8.802 0.418 1.101 505 HD2 TYR 74 2HD TYR 74 -6.265 -2.647 -0.407 506 HE1 TYR 74 1HE TYR 74 -10.477 -0.114 -0.620 507 HE2 TYR 74 2HE TYR 74 -7.933 -3.186 -2.133 508 HH TYR 74 HH TYR 74 -9.931 -1.673 -3.299 509 H ALA 75 H ALA 75 -5.330 -3.435 3.024 510 HA ALA 75 HA ALA 75 -3.513 -2.388 5.077 511 HB1 ALA 75 1HB ALA 75 -4.538 -5.065 4.399 512 HB2 ALA 75 2HB ALA 75 -2.848 -4.994 4.901 513 HB3 ALA 75 3HB ALA 75 -4.110 -4.372 5.964 514 H PHE 76 H PHE 76 -1.674 -1.552 4.359 515 HA PHE 76 HA PHE 76 -0.546 -2.521 1.833 516 HB2 PHE 76 1HB PHE 76 0.160 -0.056 3.441 517 HB3 PHE 76 2HB PHE 76 0.802 -0.473 1.855 518 HD1 PHE 76 1HD PHE 76 -0.810 -0.607 -0.092 519 HD2 PHE 76 2HD PHE 76 -1.833 1.137 3.654 520 HE1 PHE 76 1HE PHE 76 -2.673 0.591 -1.162 521 HE2 PHE 76 2HE PHE 76 -3.698 2.337 2.589 522 HZ PHE 76 HZ PHE 76 -4.121 2.064 0.178 523 H ARG 77 H ARG 77 1.383 -3.531 1.710 524 HA ARG 77 HA ARG 77 3.165 -3.557 4.015 525 HB2 ARG 77 1HB ARG 77 3.279 -5.967 4.140 526 HB3 ARG 77 2HB ARG 77 1.608 -5.460 4.344 527 HG2 ARG 77 1HG ARG 77 1.196 -6.000 1.966 528 HG3 ARG 77 2HG ARG 77 2.848 -6.612 1.856 529 HD2 ARG 77 1HD ARG 77 1.762 -8.563 2.309 530 HD3 ARG 77 2HD ARG 77 2.073 -8.021 3.958 531 HE ARG 77 HE ARG 77 -0.439 -7.104 2.925 532 HH11 ARG 77 2HH1 ARG 77 1.205 -9.762 4.460 533 HH12 ARG 77 1HH1 ARG 77 -0.234 -10.410 5.174 534 HH21 ARG 77 2HH2 ARG 77 -2.341 -7.948 3.860 535 HH22 ARG 77 1HH2 ARG 77 -2.251 -9.378 4.831 536 H VAL 78 H VAL 78 5.200 -3.352 3.359 537 HA VAL 78 HA VAL 78 5.826 -3.937 0.547 538 HB VAL 78 HB VAL 78 7.467 -2.258 2.440 539 HG11 VAL 78 1HG1 VAL 78 8.897 -2.651 0.724 540 HG12 VAL 78 2HG1 VAL 78 7.601 -2.971 -0.430 541 HG13 VAL 78 3HG1 VAL 78 8.008 -1.310 0.004 542 HG21 VAL 78 1HG2 VAL 78 5.097 -1.424 2.072 543 HG22 VAL 78 2HG2 VAL 78 6.398 -0.307 1.660 544 HG23 VAL 78 3HG2 VAL 78 5.552 -1.185 0.385 545 H LEU 79 H LEU 79 7.875 -4.899 0.029 546 HA LEU 79 HA LEU 79 9.367 -6.185 2.153 547 HB2 LEU 79 1HB LEU 79 9.130 -8.429 1.075 548 HB3 LEU 79 2HB LEU 79 7.687 -7.830 1.889 549 HG LEU 79 HG LEU 79 7.097 -7.019 -0.571 550 HD11 LEU 79 1HD1 LEU 79 7.904 -9.323 -1.824 551 HD12 LEU 79 2HD1 LEU 79 9.336 -8.851 -0.911 552 HD13 LEU 79 3HD1 LEU 79 8.608 -7.722 -2.054 553 HD21 LEU 79 1HD2 LEU 79 5.978 -9.292 -0.864 554 HD22 LEU 79 2HD2 LEU 79 5.594 -8.386 0.600 555 HD23 LEU 79 3HD2 LEU 79 6.735 -9.731 0.668 556 H ALA 80 H ALA 80 11.456 -6.595 1.597 557 HA ALA 80 HA ALA 80 12.432 -5.421 -0.825 558 HB1 ALA 80 1HB ALA 80 14.511 -5.544 0.111 559 HB2 ALA 80 2HB ALA 80 13.523 -5.615 1.570 560 HB3 ALA 80 3HB ALA 80 14.193 -7.096 0.886 561 H VAL 81 H VAL 81 13.530 -6.437 -2.524 562 HA VAL 81 HA VAL 81 13.468 -9.352 -2.659 563 HB VAL 81 HB VAL 81 12.259 -7.681 -4.863 564 HG11 VAL 81 1HG1 VAL 81 11.450 -10.397 -4.907 565 HG12 VAL 81 2HG1 VAL 81 12.435 -9.526 -6.084 566 HG13 VAL 81 3HG1 VAL 81 13.204 -10.360 -4.733 567 HG21 VAL 81 1HG2 VAL 81 11.024 -9.008 -2.497 568 HG22 VAL 81 2HG2 VAL 81 10.617 -7.475 -3.269 569 HG23 VAL 81 3HG2 VAL 81 10.146 -8.996 -4.026 570 H ASN 82 H ASN 82 15.240 -10.141 -3.609 571 HA ASN 82 HA ASN 82 16.684 -8.533 -5.570 572 HB2 ASN 82 1HB ASN 82 18.690 -8.421 -4.426 573 HB3 ASN 82 2HB ASN 82 17.543 -8.234 -3.103 574 HD21 ASN 82 1HD2 ASN 82 17.315 -9.855 -1.605 575 HD22 ASN 82 2HD2 ASN 82 18.396 -11.199 -1.504 576 H SER 83 H SER 83 18.796 -9.955 -6.157 577 HA SER 83 HA SER 83 18.121 -11.972 -7.766 578 HB2 SER 83 1HB SER 83 20.585 -11.823 -6.022 579 HB3 SER 83 2HB SER 83 20.393 -12.994 -7.327 580 HG SER 83 HG SER 83 21.489 -11.137 -8.047 581 H ILE 84 H ILE 84 18.742 -12.364 -4.298 582 HA ILE 84 HA ILE 84 18.418 -15.143 -4.168 583 HB ILE 84 HB ILE 84 17.749 -13.129 -2.019 584 HG12 ILE 84 1HG1 ILE 84 20.061 -12.927 -2.949 585 HG13 ILE 84 2HG1 ILE 84 20.021 -13.386 -1.250 586 HG21 ILE 84 1HG2 ILE 84 17.929 -16.081 -2.091 587 HG22 ILE 84 2HG2 ILE 84 18.611 -15.271 -0.681 588 HG23 ILE 84 3HG2 ILE 84 16.916 -15.029 -1.103 589 HD11 ILE 84 1HD1 ILE 84 20.092 -15.816 -2.403 590 HD12 ILE 84 2HD1 ILE 84 20.988 -14.869 -3.590 591 HD13 ILE 84 3HD1 ILE 84 21.523 -14.912 -1.911 592 H GLY 85 H GLY 85 16.044 -12.622 -3.280 593 HA2 GLY 85 1HA GLY 85 13.855 -13.489 -4.633 594 HA3 GLY 85 2HA GLY 85 13.899 -14.549 -3.233 595 H ARG 86 H ARG 86 11.715 -13.374 -3.086 596 HA ARG 86 HA ARG 86 11.912 -10.715 -1.917 597 HB2 ARG 86 1HB ARG 86 9.457 -10.763 -1.918 598 HB3 ARG 86 2HB ARG 86 10.110 -11.140 -3.507 599 HG2 ARG 86 1HG ARG 86 9.866 -13.618 -2.631 600 HG3 ARG 86 2HG ARG 86 8.649 -12.872 -1.594 601 HD2 ARG 86 1HD ARG 86 7.307 -12.276 -3.371 602 HD3 ARG 86 2HD ARG 86 8.648 -12.273 -4.516 603 HE ARG 86 HE ARG 86 8.194 -14.462 -4.953 604 HH11 ARG 86 2HH1 ARG 86 6.847 -13.653 -1.846 605 HH12 ARG 86 1HH1 ARG 86 6.082 -15.193 -1.631 606 HH21 ARG 86 2HH2 ARG 86 7.192 -16.493 -4.682 607 HH22 ARG 86 1HH2 ARG 86 6.280 -16.807 -3.244 608 H GLY 87 H GLY 87 12.335 -10.515 0.177 609 HA2 GLY 87 1HA GLY 87 12.157 -12.657 2.027 610 HA3 GLY 87 2HA GLY 87 12.462 -10.973 2.425 611 HA PRO 88 HA PRO 88 8.285 -12.236 4.073 612 HB2 PRO 88 1HB PRO 88 8.747 -11.401 6.614 613 HB3 PRO 88 2HB PRO 88 9.163 -13.022 6.045 614 HG2 PRO 88 1HG PRO 88 10.920 -10.621 6.372 615 HG3 PRO 88 2HG PRO 88 11.244 -12.311 6.799 616 HD2 PRO 88 1HD PRO 88 12.213 -11.166 4.544 617 HD3 PRO 88 2HD PRO 88 11.782 -12.886 4.633 618 HA PRO 89 HA PRO 89 6.725 -8.132 3.643 619 HB2 PRO 89 1HB PRO 89 4.302 -8.459 4.824 620 HB3 PRO 89 2HB PRO 89 4.687 -9.109 3.226 621 HG2 PRO 89 1HG PRO 89 4.661 -10.496 5.879 622 HG3 PRO 89 2HG PRO 89 4.048 -11.062 4.314 623 HD2 PRO 89 1HD PRO 89 6.431 -11.861 5.319 624 HD3 PRO 89 2HD PRO 89 6.140 -11.686 3.577 625 H SER 90 H SER 90 6.807 -6.265 4.767 626 HA SER 90 HA SER 90 7.693 -6.294 7.473 627 HB2 SER 90 1HB SER 90 8.545 -4.526 6.170 628 HB3 SER 90 2HB SER 90 6.952 -4.103 5.543 629 HG SER 90 HG SER 90 6.405 -3.393 7.651 630 H GLU 91 H GLU 91 6.606 -4.677 9.062 631 HA GLU 91 HA GLU 91 4.247 -5.751 9.982 632 HB2 GLU 91 1HB GLU 91 5.566 -3.093 10.409 633 HB3 GLU 91 2HB GLU 91 3.989 -3.410 11.118 634 HG2 GLU 91 1HG GLU 91 4.842 -5.228 12.396 635 HG3 GLU 91 2HG GLU 91 6.387 -5.169 11.550 636 H ALA 92 H ALA 92 2.607 -6.012 8.536 637 HA ALA 92 HA ALA 92 1.734 -4.295 6.571 638 HB1 ALA 92 1HB ALA 92 0.566 -6.533 8.062 639 HB2 ALA 92 2HB ALA 92 -0.610 -5.421 7.361 640 HB3 ALA 92 3HB ALA 92 0.584 -6.206 6.328 641 H VAL 93 H VAL 93 0.831 -2.346 6.556 642 HA VAL 93 HA VAL 93 -0.298 -1.307 9.067 643 HB VAL 93 HB VAL 93 0.120 0.930 8.196 644 HG11 VAL 93 1HG1 VAL 93 1.962 -0.721 9.216 645 HG12 VAL 93 2HG1 VAL 93 2.727 -0.362 7.667 646 HG13 VAL 93 3HG1 VAL 93 2.311 0.949 8.772 647 HG21 VAL 93 1HG2 VAL 93 1.461 1.171 6.093 648 HG22 VAL 93 2HG2 VAL 93 1.132 -0.529 5.761 649 HG23 VAL 93 3HG2 VAL 93 -0.198 0.624 5.851 650 H ARG 94 H ARG 94 -2.256 -0.173 9.055 651 HA ARG 94 HA ARG 94 -3.938 -0.678 6.689 652 HB2 ARG 94 1HB ARG 94 -4.543 -0.732 9.628 653 HB3 ARG 94 2HB ARG 94 -5.826 -0.436 8.463 654 HG2 ARG 94 1HG ARG 94 -5.073 -2.584 7.326 655 HG3 ARG 94 2HG ARG 94 -4.134 -2.890 8.789 656 HD2 ARG 94 1HD ARG 94 -7.016 -2.179 9.048 657 HD3 ARG 94 2HD ARG 94 -6.587 -3.807 8.525 658 HE ARG 94 HE ARG 94 -5.798 -4.257 10.641 659 HH11 ARG 94 2HH1 ARG 94 -6.451 -0.853 10.316 660 HH12 ARG 94 1HH1 ARG 94 -6.279 -0.526 12.009 661 HH21 ARG 94 2HH2 ARG 94 -5.568 -3.839 12.872 662 HH22 ARG 94 1HH2 ARG 94 -5.776 -2.225 13.461 663 H ALA 95 H ALA 95 -4.582 1.056 5.610 664 HA ALA 95 HA ALA 95 -4.927 3.589 7.065 665 HB1 ALA 95 1HB ALA 95 -3.855 4.837 5.354 666 HB2 ALA 95 2HB ALA 95 -2.770 3.512 5.778 667 HB3 ALA 95 3HB ALA 95 -3.736 3.423 4.306 668 H ARG 96 H ARG 96 -6.851 4.500 6.750 669 HA ARG 96 HA ARG 96 -8.635 3.367 4.753 670 HB2 ARG 96 1HB ARG 96 -9.191 3.931 7.242 671 HB3 ARG 96 2HB ARG 96 -9.399 5.569 6.637 672 HG2 ARG 96 1HG ARG 96 -11.092 4.774 5.064 673 HG3 ARG 96 2HG ARG 96 -10.884 3.132 5.676 674 HD2 ARG 96 1HD ARG 96 -11.551 3.935 7.922 675 HD3 ARG 96 2HD ARG 96 -11.857 5.527 7.229 676 HE ARG 96 HE ARG 96 -13.305 3.556 5.816 677 HH11 ARG 96 2HH1 ARG 96 -13.264 5.263 8.850 678 HH12 ARG 96 1HH1 ARG 96 -14.974 5.131 9.097 679 HH21 ARG 96 2HH2 ARG 96 -15.558 3.376 6.130 680 HH22 ARG 96 1HH2 ARG 96 -16.278 4.057 7.549 681 H THR 97 H THR 97 -8.928 4.251 2.825 682 HA THR 97 HA THR 97 -7.664 6.616 1.987 683 HB THR 97 HB THR 97 -8.930 6.397 -0.086 684 HG1 THR 97 1HG THR 97 -10.794 5.384 -0.135 685 HG21 THR 97 1HG2 THR 97 -7.688 3.999 1.167 686 HG22 THR 97 2HG2 THR 97 -7.168 4.938 -0.232 687 HG23 THR 97 3HG2 THR 97 -8.507 3.801 -0.382 688 H GLY 98 H GLY 98 -8.629 8.599 1.222 689 HA2 GLY 98 1HA GLY 98 -10.451 9.712 3.110 690 HA3 GLY 98 2HA GLY 98 -9.820 10.515 1.680 691 H GLU 99 H GLU 99 -12.477 10.753 2.635 692 HA GLU 99 HA GLU 99 -14.081 9.155 0.789 693 HB2 GLU 99 1HB GLU 99 -16.012 10.266 1.953 694 HB3 GLU 99 2HB GLU 99 -14.995 9.274 2.988 695 HG2 GLU 99 1HG GLU 99 -14.491 12.207 2.773 696 HG3 GLU 99 2HG GLU 99 -15.789 11.602 3.800 697 H GLN 100 H GLN 100 -12.402 10.902 -0.513 698 HA GLN 100 HA GLN 100 -14.104 13.159 -1.302 699 HB2 GLN 100 1HB GLN 100 -11.640 13.449 -0.617 700 HB3 GLN 100 2HB GLN 100 -11.257 12.729 -2.175 701 HG2 GLN 100 1HG GLN 100 -12.921 14.599 -3.032 702 HG3 GLN 100 2HG GLN 100 -12.408 15.383 -1.538 703 HE21 GLN 100 1HE2 GLN 100 -10.431 16.288 -1.424 704 HE22 GLN 100 2HE2 GLN 100 -9.288 16.301 -2.719 705 H SER 101 H SER 101 -14.603 13.549 -3.475 706 HA SER 101 HA SER 101 -15.303 12.959 -5.559 707 HB2 SER 101 1HB SER 101 -12.712 12.845 -5.737 708 HB3 SER 101 2HB SER 101 -12.950 11.098 -5.768 709 HG SER 101 HG SER 101 -14.565 11.692 -7.513 710 H GLY 102 H GLY 102 -16.587 11.584 -3.586 711 HA2 GLY 102 1HA GLY 102 -17.097 9.020 -4.926 712 HA3 GLY 102 2HA GLY 102 -16.789 9.021 -3.196 713 HA PRO 103 HA PRO 103 -21.352 9.321 -3.728 714 HB2 PRO 103 1HB PRO 103 -21.920 7.661 -1.657 715 HB3 PRO 103 2HB PRO 103 -21.575 7.077 -3.289 716 HG2 PRO 103 1HG PRO 103 -19.765 7.230 -0.909 717 HG3 PRO 103 2HG PRO 103 -19.949 5.922 -2.092 718 HD2 PRO 103 1HD PRO 103 -17.913 7.703 -2.196 719 HD3 PRO 103 2HD PRO 103 -18.620 6.976 -3.652 720 H SER 104 H SER 104 -19.072 10.199 -1.402 721 HA SER 104 HA SER 104 -21.002 11.246 0.505 722 HB2 SER 104 1HB SER 104 -18.835 10.204 1.237 723 HB3 SER 104 2HB SER 104 -17.994 11.573 0.511 724 HG SER 104 HG SER 104 -19.895 11.671 2.617 725 H SER 105 H SER 105 -21.717 13.279 0.556 726 HA SER 105 HA SER 105 -20.210 15.494 -0.441 727 HB2 SER 105 1HB SER 105 -22.429 14.338 -2.092 728 HB3 SER 105 2HB SER 105 -22.167 16.082 -2.091 729 HG SER 105 HG SER 105 -20.280 15.821 -3.079 730 H GLY 106 H GLY 106 -21.594 17.545 -0.396 731 HA2 GLY 106 1HA GLY 106 -23.375 18.784 0.532 732 HA3 GLY 106 2HA GLY 106 -23.864 17.359 1.437 Start of MODEL 7 1 H1 GLY 1 H GLY 1 9.183 -15.327 17.039 2 HA2 GLY 1 1HA GLY 1 11.532 -15.325 16.064 3 HA3 GLY 1 2HA GLY 1 10.939 -16.904 16.558 4 H SER 2 H SER 2 12.806 -15.868 14.370 5 HA SER 2 HA SER 2 11.455 -17.115 12.071 6 HB2 SER 2 1HB SER 2 13.141 -15.948 10.677 7 HB3 SER 2 2HB SER 2 12.179 -14.825 11.638 8 HG SER 2 HG SER 2 14.185 -15.379 13.159 9 H SER 3 H SER 3 11.892 -19.259 12.553 10 HA SER 3 HA SER 3 14.326 -20.317 13.400 11 HB2 SER 3 1HB SER 3 12.060 -21.486 13.262 12 HB3 SER 3 2HB SER 3 12.422 -21.766 11.559 13 HG SER 3 HG SER 3 13.166 -23.242 13.568 14 H GLY 4 H GLY 4 13.029 -20.448 10.073 15 HA2 GLY 4 1HA GLY 4 15.819 -20.298 9.111 16 HA3 GLY 4 2HA GLY 4 14.645 -21.394 8.397 17 H SER 5 H SER 5 16.173 -18.536 7.952 18 HA SER 5 HA SER 5 13.932 -17.401 6.411 19 HB2 SER 5 1HB SER 5 15.159 -15.222 6.602 20 HB3 SER 5 2HB SER 5 14.603 -15.865 8.147 21 HG SER 5 HG SER 5 16.704 -15.250 8.435 22 H SER 6 H SER 6 14.281 -16.742 4.303 23 HA SER 6 HA SER 6 16.920 -17.254 3.135 24 HB2 SER 6 1HB SER 6 15.580 -19.298 2.796 25 HB3 SER 6 2HB SER 6 14.329 -18.340 2.004 26 HG SER 6 HG SER 6 15.526 -19.043 0.346 27 H GLY 7 H GLY 7 17.458 -15.284 2.426 28 HA2 GLY 7 1HA GLY 7 17.163 -13.865 0.418 29 HA3 GLY 7 2HA GLY 7 15.453 -13.821 0.821 30 HA PRO 8 HA PRO 8 17.482 -10.013 2.539 31 HB2 PRO 8 1HB PRO 8 15.621 -8.291 1.569 32 HB3 PRO 8 2HB PRO 8 17.031 -8.807 0.636 33 HG2 PRO 8 1HG PRO 8 14.211 -9.805 0.515 34 HG3 PRO 8 2HG PRO 8 15.329 -9.447 -0.814 35 HD2 PRO 8 1HD PRO 8 14.866 -11.967 0.061 36 HD3 PRO 8 2HD PRO 8 16.436 -11.456 -0.591 37 H LYS 9 H LYS 9 16.332 -8.256 3.867 38 HA LYS 9 HA LYS 9 14.343 -9.586 5.567 39 HB2 LYS 9 1HB LYS 9 16.395 -7.455 6.055 40 HB3 LYS 9 2HB LYS 9 15.005 -7.593 7.123 41 HG2 LYS 9 1HG LYS 9 16.711 -8.821 8.155 42 HG3 LYS 9 2HG LYS 9 15.653 -10.026 7.418 43 HD2 LYS 9 1HD LYS 9 17.172 -10.273 5.553 44 HD3 LYS 9 2HD LYS 9 18.195 -8.977 6.175 45 HE2 LYS 9 1HE LYS 9 19.349 -10.773 6.973 46 HE3 LYS 9 2HE LYS 9 18.232 -10.534 8.316 47 HZ1 LYS 9 1HZ LYS 9 17.240 -12.474 7.918 48 HZ2 LYS 9 2HZ LYS 9 18.583 -12.850 6.962 49 HZ3 LYS 9 3HZ LYS 9 17.182 -12.228 6.245 50 HA PRO 10 HA PRO 10 11.114 -6.812 4.501 51 HB2 PRO 10 1HB PRO 10 9.838 -6.509 6.878 52 HB3 PRO 10 2HB PRO 10 9.766 -8.001 5.933 53 HG2 PRO 10 1HG PRO 10 11.475 -7.338 8.300 54 HG3 PRO 10 2HG PRO 10 10.590 -8.832 7.942 55 HD2 PRO 10 1HD PRO 10 13.252 -8.578 7.518 56 HD3 PRO 10 2HD PRO 10 12.217 -9.598 6.499 57 HA PRO 11 HA PRO 11 12.454 -2.693 5.352 58 HB2 PRO 11 1HB PRO 11 10.227 -1.354 4.564 59 HB3 PRO 11 2HB PRO 11 11.354 -2.098 3.424 60 HG2 PRO 11 1HG PRO 11 8.735 -3.128 4.444 61 HG3 PRO 11 2HG PRO 11 9.382 -3.156 2.793 62 HD2 PRO 11 1HD PRO 11 9.449 -5.319 4.420 63 HD3 PRO 11 2HD PRO 11 10.705 -4.998 3.207 64 H ILE 12 H ILE 12 12.110 -0.945 6.780 65 HA ILE 12 HA ILE 12 10.097 -1.448 8.874 66 HB ILE 12 HB ILE 12 11.611 -0.530 10.525 67 HG12 ILE 12 1HG1 ILE 12 13.633 -0.302 8.285 68 HG13 ILE 12 2HG1 ILE 12 12.773 1.055 9.004 69 HG21 ILE 12 1HG2 ILE 12 11.973 -2.961 9.160 70 HG22 ILE 12 2HG2 ILE 12 13.584 -2.333 9.503 71 HG23 ILE 12 3HG2 ILE 12 12.433 -2.570 10.817 72 HD11 ILE 12 1HD1 ILE 12 14.347 -0.746 10.770 73 HD12 ILE 12 2HD1 ILE 12 15.190 0.437 9.769 74 HD13 ILE 12 3HD1 ILE 12 13.985 0.972 10.940 75 H ASP 13 H ASP 13 9.806 0.639 10.255 76 HA ASP 13 HA ASP 13 9.010 2.766 10.386 77 HB2 ASP 13 1HB ASP 13 11.425 3.125 9.412 78 HB3 ASP 13 2HB ASP 13 10.552 3.566 7.947 79 H LEU 14 H LEU 14 7.584 0.811 8.853 80 HA LEU 14 HA LEU 14 6.607 1.959 6.437 81 HB2 LEU 14 1HB LEU 14 6.549 -0.504 7.340 82 HB3 LEU 14 2HB LEU 14 5.011 0.008 8.031 83 HG LEU 14 HG LEU 14 4.277 0.632 5.720 84 HD11 LEU 14 1HD1 LEU 14 5.761 0.703 4.079 85 HD12 LEU 14 2HD1 LEU 14 6.008 -1.036 4.241 86 HD13 LEU 14 3HD1 LEU 14 7.016 0.087 5.154 87 HD21 LEU 14 1HD2 LEU 14 3.367 -1.405 5.485 88 HD22 LEU 14 2HD2 LEU 14 4.191 -1.762 7.003 89 HD23 LEU 14 3HD2 LEU 14 4.933 -2.216 5.468 90 H VAL 15 H VAL 15 5.589 3.863 6.479 91 HA VAL 15 HA VAL 15 3.174 4.101 8.092 92 HB VAL 15 HB VAL 15 5.249 6.292 8.125 93 HG11 VAL 15 1HG1 VAL 15 3.784 7.143 9.982 94 HG12 VAL 15 2HG1 VAL 15 3.061 7.190 8.373 95 HG13 VAL 15 3HG1 VAL 15 2.602 5.923 9.511 96 HG21 VAL 15 1HG2 VAL 15 5.534 5.677 10.525 97 HG22 VAL 15 2HG2 VAL 15 4.590 4.220 10.214 98 HG23 VAL 15 3HG2 VAL 15 6.134 4.462 9.396 99 H VAL 16 H VAL 16 1.738 5.772 7.359 100 HA VAL 16 HA VAL 16 2.104 6.353 4.510 101 HB VAL 16 HB VAL 16 -0.427 6.708 6.109 102 HG11 VAL 16 1HG1 VAL 16 0.191 7.594 3.619 103 HG12 VAL 16 2HG1 VAL 16 -0.519 6.020 3.257 104 HG13 VAL 16 3HG1 VAL 16 -1.441 7.216 4.170 105 HG21 VAL 16 1HG2 VAL 16 -0.425 4.386 4.407 106 HG22 VAL 16 2HG2 VAL 16 0.867 4.282 5.604 107 HG23 VAL 16 3HG2 VAL 16 -0.802 4.515 6.125 108 H THR 17 H THR 17 2.230 8.379 3.715 109 HA THR 17 HA THR 17 2.311 10.571 5.668 110 HB THR 17 HB THR 17 4.353 10.240 4.333 111 HG1 THR 17 1HG THR 17 2.817 12.583 4.133 112 HG21 THR 17 1HG2 THR 17 4.357 10.702 1.938 113 HG22 THR 17 2HG2 THR 17 2.609 10.929 1.965 114 HG23 THR 17 3HG2 THR 17 3.297 9.342 2.303 115 H GLU 18 H GLU 18 0.803 9.533 2.675 116 HA GLU 18 HA GLU 18 -1.158 11.690 2.982 117 HB2 GLU 18 1HB GLU 18 0.317 10.985 0.446 118 HB3 GLU 18 2HB GLU 18 -1.175 11.915 0.459 119 HG2 GLU 18 1HG GLU 18 0.040 13.496 2.058 120 HG3 GLU 18 2HG GLU 18 1.511 12.671 1.545 121 H THR 19 H THR 19 -3.227 11.231 2.135 122 HA THR 19 HA THR 19 -3.690 8.502 1.178 123 HB THR 19 HB THR 19 -5.827 8.679 2.770 124 HG1 THR 19 1HG THR 19 -4.754 10.755 3.578 125 HG21 THR 19 1HG2 THR 19 -3.444 7.227 2.741 126 HG22 THR 19 2HG2 THR 19 -4.903 6.851 3.657 127 HG23 THR 19 3HG2 THR 19 -3.612 7.793 4.402 128 H THR 20 H THR 20 -4.640 8.800 -0.727 129 HA THR 20 HA THR 20 -6.442 11.064 -1.123 130 HB THR 20 HB THR 20 -5.863 9.155 -3.333 131 HG1 THR 20 1HG THR 20 -3.802 9.376 -2.519 132 HG21 THR 20 1HG2 THR 20 -6.562 11.997 -2.965 133 HG22 THR 20 2HG2 THR 20 -7.023 10.871 -4.243 134 HG23 THR 20 3HG2 THR 20 -5.442 11.651 -4.281 135 H ALA 21 H ALA 21 -8.452 10.674 -2.397 136 HA ALA 21 HA ALA 21 -10.162 8.908 -1.075 137 HB1 ALA 21 1HB ALA 21 -11.409 10.521 -2.041 138 HB2 ALA 21 2HB ALA 21 -10.346 10.656 -3.443 139 HB3 ALA 21 3HB ALA 21 -11.523 9.346 -3.352 140 H THR 22 H THR 22 -8.296 8.523 -4.025 141 HA THR 22 HA THR 22 -9.077 5.686 -4.070 142 HB THR 22 HB THR 22 -8.940 5.714 -6.541 143 HG1 THR 22 1HG THR 22 -9.177 8.032 -7.371 144 HG21 THR 22 1HG2 THR 22 -11.102 6.033 -5.291 145 HG22 THR 22 2HG2 THR 22 -11.090 6.673 -6.934 146 HG23 THR 22 3HG2 THR 22 -10.920 7.766 -5.561 147 H SER 23 H SER 23 -6.697 7.371 -3.124 148 HA SER 23 HA SER 23 -4.677 5.539 -4.109 149 HB2 SER 23 1HB SER 23 -4.164 8.508 -4.330 150 HB3 SER 23 2HB SER 23 -3.158 7.188 -4.926 151 HG SER 23 HG SER 23 -4.222 7.450 -6.714 152 H VAL 24 H VAL 24 -2.527 5.995 -2.975 153 HA VAL 24 HA VAL 24 -2.669 7.412 -0.472 154 HB VAL 24 HB VAL 24 -2.469 4.397 -0.439 155 HG11 VAL 24 1HG1 VAL 24 -1.034 5.012 1.254 156 HG12 VAL 24 2HG1 VAL 24 -1.923 6.493 1.616 157 HG13 VAL 24 3HG1 VAL 24 -2.570 4.930 2.116 158 HG21 VAL 24 1HG2 VAL 24 -4.750 4.991 -0.664 159 HG22 VAL 24 2HG2 VAL 24 -4.500 4.634 1.044 160 HG23 VAL 24 3HG2 VAL 24 -4.597 6.308 0.499 161 H THR 25 H THR 25 -0.636 7.493 0.633 162 HA THR 25 HA THR 25 1.636 6.752 -1.092 163 HB THR 25 HB THR 25 1.418 9.073 0.835 164 HG1 THR 25 1HG THR 25 1.725 10.223 -1.248 165 HG21 THR 25 1HG2 THR 25 3.687 8.286 -0.998 166 HG22 THR 25 2HG2 THR 25 3.688 8.132 0.759 167 HG23 THR 25 3HG2 THR 25 3.620 9.729 0.013 168 H LEU 26 H LEU 26 3.126 5.420 -0.282 169 HA LEU 26 HA LEU 26 3.087 4.901 2.618 170 HB2 LEU 26 1HB LEU 26 2.445 3.090 0.822 171 HB3 LEU 26 2HB LEU 26 4.194 2.934 0.673 172 HG LEU 26 HG LEU 26 4.335 2.372 3.060 173 HD11 LEU 26 1HD1 LEU 26 1.600 1.742 3.556 174 HD12 LEU 26 2HD1 LEU 26 1.728 3.447 3.126 175 HD13 LEU 26 3HD1 LEU 26 2.678 2.802 4.464 176 HD21 LEU 26 1HD2 LEU 26 3.838 0.175 2.737 177 HD22 LEU 26 2HD2 LEU 26 3.732 0.729 1.066 178 HD23 LEU 26 3HD2 LEU 26 2.263 0.518 2.021 179 H THR 27 H THR 27 4.973 4.940 3.742 180 HA THR 27 HA THR 27 7.457 5.402 2.233 181 HB THR 27 HB THR 27 8.169 7.095 3.827 182 HG1 THR 27 1HG THR 27 7.047 6.431 5.674 183 HG21 THR 27 1HG2 THR 27 7.134 8.731 2.695 184 HG22 THR 27 2HG2 THR 27 5.543 8.243 3.278 185 HG23 THR 27 3HG2 THR 27 6.254 7.439 1.879 186 H TRP 28 H TRP 28 9.270 4.441 3.033 187 HA TRP 28 HA TRP 28 9.328 3.335 5.700 188 HB2 TRP 28 1HB TRP 28 9.662 1.022 5.017 189 HB3 TRP 28 2HB TRP 28 8.105 1.601 4.431 190 HD1 TRP 28 HD TRP 28 11.489 0.371 3.218 191 HE1 TRP 28 1HE TRP 28 11.388 0.015 0.671 192 HE3 TRP 28 3HE TRP 28 6.931 2.489 2.283 193 HZ2 TRP 28 2HZ TRP 28 9.612 0.560 -1.453 194 HZ3 TRP 28 3HZ TRP 28 6.104 2.532 -0.034 195 HH2 TRP 28 HH TRP 28 7.418 1.587 -1.862 196 H ASP 29 H ASP 29 11.444 1.953 5.914 197 HA ASP 29 HA ASP 29 13.573 3.491 4.588 198 HB2 ASP 29 1HB ASP 29 13.284 2.318 7.314 199 HB3 ASP 29 2HB ASP 29 14.899 2.390 6.615 200 H SER 30 H SER 30 15.459 2.414 3.867 201 HA SER 30 HA SER 30 15.117 0.171 2.347 202 HB2 SER 30 1HB SER 30 17.592 -0.065 2.363 203 HB3 SER 30 2HB SER 30 17.072 1.601 2.108 204 HG SER 30 HG SER 30 18.174 2.101 3.811 205 H GLY 31 H GLY 31 16.479 0.270 5.637 206 HA2 GLY 31 1HA GLY 31 16.300 -1.321 7.316 207 HA3 GLY 31 2HA GLY 31 15.372 -2.330 6.217 208 H ASN 32 H ASN 32 17.188 -2.557 4.112 209 HA ASN 32 HA ASN 32 19.197 -4.284 5.367 210 HB2 ASN 32 1HB ASN 32 18.119 -4.202 2.542 211 HB3 ASN 32 2HB ASN 32 19.397 -5.287 3.082 212 HD21 ASN 32 1HD2 ASN 32 16.018 -4.570 3.165 213 HD22 ASN 32 2HD2 ASN 32 15.510 -6.041 3.915 214 H SER 33 H SER 33 21.192 -3.533 5.546 215 HA SER 33 HA SER 33 22.101 -1.145 4.383 216 HB2 SER 33 1HB SER 33 23.464 -3.418 5.797 217 HB3 SER 33 2HB SER 33 24.416 -2.121 5.076 218 HG SER 33 HG SER 33 23.645 -1.941 7.385 219 H GLU 34 H GLU 34 21.736 -4.211 3.035 220 HA GLU 34 HA GLU 34 23.857 -3.865 1.064 221 HB2 GLU 34 1HB GLU 34 21.893 -6.096 1.585 222 HB3 GLU 34 2HB GLU 34 22.995 -6.090 0.215 223 HG2 GLU 34 1HG GLU 34 23.957 -5.839 3.045 224 HG3 GLU 34 2HG GLU 34 23.702 -7.399 2.265 225 HA PRO 35 HA PRO 35 21.308 -2.118 -2.057 226 HB2 PRO 35 1HB PRO 35 22.502 -3.107 -4.285 227 HB3 PRO 35 2HB PRO 35 23.229 -1.842 -3.287 228 HG2 PRO 35 1HG PRO 35 23.786 -4.783 -3.321 229 HG3 PRO 35 2HG PRO 35 24.927 -3.429 -3.231 230 HD2 PRO 35 1HD PRO 35 24.187 -4.858 -1.053 231 HD3 PRO 35 2HD PRO 35 24.589 -3.130 -0.971 232 H VAL 36 H VAL 36 19.267 -2.891 -2.116 233 HA VAL 36 HA VAL 36 18.771 -5.619 -3.033 234 HB VAL 36 HB VAL 36 16.530 -3.803 -2.305 235 HG11 VAL 36 1HG1 VAL 36 15.483 -5.759 -2.394 236 HG12 VAL 36 2HG1 VAL 36 17.012 -6.613 -2.608 237 HG13 VAL 36 3HG1 VAL 36 16.408 -6.278 -0.985 238 HG21 VAL 36 1HG2 VAL 36 18.657 -4.733 -0.419 239 HG22 VAL 36 2HG2 VAL 36 17.853 -3.166 -0.512 240 HG23 VAL 36 3HG2 VAL 36 16.991 -4.563 0.134 241 H THR 37 H THR 37 17.422 -6.112 -4.780 242 HA THR 37 HA THR 37 17.678 -4.459 -7.041 243 HB THR 37 HB THR 37 15.681 -6.700 -6.695 244 HG1 THR 37 1HG THR 37 17.353 -8.051 -7.408 245 HG21 THR 37 1HG2 THR 37 15.474 -6.748 -8.976 246 HG22 THR 37 2HG2 THR 37 17.088 -6.091 -9.246 247 HG23 THR 37 3HG2 THR 37 15.775 -5.026 -8.748 248 H TYR 38 H TYR 38 14.576 -5.538 -5.662 249 HA TYR 38 HA TYR 38 13.563 -2.813 -5.713 250 HB2 TYR 38 1HB TYR 38 11.728 -3.250 -7.176 251 HB3 TYR 38 2HB TYR 38 13.181 -3.797 -8.006 252 HD1 TYR 38 2HD TYR 38 13.595 -6.177 -8.352 253 HD2 TYR 38 1HD TYR 38 10.052 -4.826 -6.422 254 HE1 TYR 38 2HE TYR 38 12.582 -8.395 -8.673 255 HE2 TYR 38 1HE TYR 38 9.029 -7.041 -6.736 256 HH TYR 38 HH TYR 38 10.755 -9.637 -8.438 257 H TYR 39 H TYR 39 11.379 -2.662 -4.752 258 HA TYR 39 HA TYR 39 10.971 -4.793 -2.758 259 HB2 TYR 39 1HB TYR 39 10.407 -1.830 -2.538 260 HB3 TYR 39 2HB TYR 39 9.988 -3.023 -1.315 261 HD1 TYR 39 1HD TYR 39 13.029 -2.155 -3.320 262 HD2 TYR 39 2HD TYR 39 11.392 -3.045 0.504 263 HE1 TYR 39 1HE TYR 39 15.258 -1.894 -2.313 264 HE2 TYR 39 2HE TYR 39 13.615 -2.786 1.523 265 HH TYR 39 HH TYR 39 15.935 -2.844 0.917 266 H GLY 40 H GLY 40 9.146 -5.906 -2.930 267 HA2 GLY 40 1HA GLY 40 7.094 -5.060 -4.781 268 HA3 GLY 40 2HA GLY 40 7.133 -6.569 -3.880 269 H ILE 41 H ILE 41 4.814 -5.025 -4.232 270 HA ILE 41 HA ILE 41 4.263 -4.313 -1.435 271 HB ILE 41 HB ILE 41 3.332 -2.734 -3.837 272 HG12 ILE 41 1HG1 ILE 41 5.238 -2.067 -1.585 273 HG13 ILE 41 2HG1 ILE 41 5.636 -2.226 -3.292 274 HG21 ILE 41 1HG2 ILE 41 2.168 -3.056 -1.260 275 HG22 ILE 41 2HG2 ILE 41 2.791 -1.412 -1.394 276 HG23 ILE 41 3HG2 ILE 41 1.644 -2.020 -2.588 277 HD11 ILE 41 1HD1 ILE 41 3.676 -0.304 -3.289 278 HD12 ILE 41 2HD1 ILE 41 4.595 0.047 -1.825 279 HD13 ILE 41 3HD1 ILE 41 5.413 -0.021 -3.385 280 H GLN 42 H GLN 42 2.488 -5.244 -0.636 281 HA GLN 42 HA GLN 42 0.508 -6.329 -2.527 282 HB2 GLN 42 1HB GLN 42 1.780 -7.640 -0.140 283 HB3 GLN 42 2HB GLN 42 0.205 -8.158 -0.727 284 HG2 GLN 42 1HG GLN 42 1.062 -8.988 -2.699 285 HG3 GLN 42 2HG GLN 42 2.507 -7.983 -2.615 286 HE21 GLN 42 1HE2 GLN 42 3.264 -10.285 -3.197 287 HE22 GLN 42 2HE2 GLN 42 3.780 -11.252 -1.862 288 H TYR 43 H TYR 43 -1.465 -5.558 -2.211 289 HA TYR 43 HA TYR 43 -2.314 -4.859 0.507 290 HB2 TYR 43 1HB TYR 43 -3.372 -2.784 -0.355 291 HB3 TYR 43 2HB TYR 43 -1.616 -2.757 -0.475 292 HD1 TYR 43 1HD TYR 43 -0.521 -3.001 -2.677 293 HD2 TYR 43 2HD TYR 43 -4.750 -2.720 -2.311 294 HE1 TYR 43 1HE TYR 43 -0.687 -2.480 -5.075 295 HE2 TYR 43 2HE TYR 43 -4.929 -2.200 -4.708 296 HH TYR 43 HH TYR 43 -2.282 -2.547 -6.867 297 H ARG 44 H ARG 44 -4.553 -4.969 0.871 298 HA ARG 44 HA ARG 44 -6.295 -5.818 -1.289 299 HB2 ARG 44 1HB ARG 44 -5.343 -7.939 -0.603 300 HB3 ARG 44 2HB ARG 44 -5.698 -7.591 1.084 301 HG2 ARG 44 1HG ARG 44 -7.420 -8.998 0.556 302 HG3 ARG 44 2HG ARG 44 -8.161 -7.431 0.223 303 HD2 ARG 44 1HD ARG 44 -7.363 -7.746 -2.174 304 HD3 ARG 44 2HD ARG 44 -7.043 -9.423 -1.731 305 HE ARG 44 HE ARG 44 -9.596 -9.117 -0.968 306 HH11 ARG 44 2HH1 ARG 44 -7.938 -8.329 -3.926 307 HH12 ARG 44 1HH1 ARG 44 -9.335 -8.561 -4.924 308 HH21 ARG 44 2HH2 ARG 44 -11.443 -9.426 -2.271 309 HH22 ARG 44 1HH2 ARG 44 -11.329 -9.184 -3.981 310 H ALA 45 H ALA 45 -8.494 -5.578 -0.824 311 HA ALA 45 HA ALA 45 -9.203 -3.517 0.906 312 HB1 ALA 45 1HB ALA 45 -10.499 -4.340 -1.083 313 HB2 ALA 45 2HB ALA 45 -11.088 -5.654 -0.064 314 HB3 ALA 45 3HB ALA 45 -11.465 -3.982 0.349 315 H ALA 46 H ALA 46 -9.496 -3.424 3.030 316 HA ALA 46 HA ALA 46 -9.093 -5.612 4.739 317 HB1 ALA 46 1HB ALA 46 -8.748 -3.216 5.332 318 HB2 ALA 46 2HB ALA 46 -10.501 -3.043 5.443 319 HB3 ALA 46 3HB ALA 46 -9.652 -4.136 6.536 320 H GLY 47 H GLY 47 -10.458 -6.959 5.838 321 HA2 GLY 47 1HA GLY 47 -12.640 -7.523 6.698 322 HA3 GLY 47 2HA GLY 47 -13.347 -6.647 5.349 323 H THR 48 H THR 48 -13.042 -7.576 3.184 324 HA THR 48 HA THR 48 -13.894 -10.207 3.025 325 HB THR 48 HB THR 48 -14.087 -8.533 1.188 326 HG1 THR 48 1HG THR 48 -14.349 -10.197 -0.096 327 HG21 THR 48 1HG2 THR 48 -11.983 -8.695 -0.402 328 HG22 THR 48 2HG2 THR 48 -11.139 -8.960 1.124 329 HG23 THR 48 3HG2 THR 48 -12.071 -7.483 0.876 330 H GLU 49 H GLU 49 -12.548 -11.767 1.417 331 HA GLU 49 HA GLU 49 -9.827 -12.035 2.495 332 HB2 GLU 49 1HB GLU 49 -10.116 -14.397 2.851 333 HB3 GLU 49 2HB GLU 49 -11.388 -13.543 3.714 334 HG2 GLU 49 1HG GLU 49 -12.708 -13.990 1.466 335 HG3 GLU 49 2HG GLU 49 -11.559 -15.321 1.349 336 H GLY 50 H GLY 50 -10.247 -10.898 0.077 337 HA2 GLY 50 1HA GLY 50 -10.060 -12.957 -1.978 338 HA3 GLY 50 2HA GLY 50 -10.125 -11.221 -2.244 339 HA PRO 51 HA PRO 51 -5.746 -12.869 -2.764 340 HB2 PRO 51 1HB PRO 51 -5.473 -12.198 -5.380 341 HB3 PRO 51 2HB PRO 51 -6.110 -13.759 -4.850 342 HG2 PRO 51 1HG PRO 51 -7.589 -11.326 -5.774 343 HG3 PRO 51 2HG PRO 51 -7.877 -13.029 -6.174 344 HD2 PRO 51 1HD PRO 51 -9.347 -11.696 -4.331 345 HD3 PRO 51 2HD PRO 51 -8.999 -13.432 -4.201 346 H PHE 52 H PHE 52 -4.130 -11.521 -2.267 347 HA PHE 52 HA PHE 52 -4.572 -8.679 -2.294 348 HB2 PHE 52 1HB PHE 52 -2.296 -10.424 -1.372 349 HB3 PHE 52 2HB PHE 52 -2.181 -8.668 -1.364 350 HD1 PHE 52 2HD PHE 52 -4.845 -11.101 -0.405 351 HD2 PHE 52 1HD PHE 52 -2.384 -7.828 0.754 352 HE1 PHE 52 2HE PHE 52 -5.962 -11.043 1.787 353 HE2 PHE 52 1HE PHE 52 -3.496 -7.765 2.948 354 HZ PHE 52 HZ PHE 52 -5.288 -9.373 3.467 355 H GLN 53 H GLN 53 -3.529 -7.137 -3.508 356 HA GLN 53 HA GLN 53 -2.729 -7.873 -6.120 357 HB2 GLN 53 1HB GLN 53 -2.380 -5.243 -4.670 358 HB3 GLN 53 2HB GLN 53 -2.186 -5.483 -6.402 359 HG2 GLN 53 1HG GLN 53 -4.755 -6.149 -5.015 360 HG3 GLN 53 2HG GLN 53 -4.390 -4.508 -5.547 361 HE21 GLN 53 1HE2 GLN 53 -6.436 -6.469 -6.414 362 HE22 GLN 53 2HE2 GLN 53 -6.231 -6.611 -8.124 363 H GLU 54 H GLU 54 -0.644 -7.237 -7.124 364 HA GLU 54 HA GLU 54 1.637 -7.383 -5.289 365 HB2 GLU 54 1HB GLU 54 1.172 -9.677 -6.064 366 HB3 GLU 54 2HB GLU 54 1.305 -9.134 -7.731 367 HG2 GLU 54 1HG GLU 54 3.657 -8.446 -7.226 368 HG3 GLU 54 2HG GLU 54 3.483 -9.241 -5.663 369 H VAL 55 H VAL 55 2.839 -5.656 -5.681 370 HA VAL 55 HA VAL 55 3.056 -4.685 -8.456 371 HB VAL 55 HB VAL 55 3.363 -3.114 -5.893 372 HG11 VAL 55 1HG1 VAL 55 4.589 -2.602 -8.280 373 HG12 VAL 55 2HG1 VAL 55 3.101 -1.665 -8.420 374 HG13 VAL 55 3HG1 VAL 55 4.191 -1.391 -7.061 375 HG21 VAL 55 1HG2 VAL 55 1.101 -3.628 -7.700 376 HG22 VAL 55 2HG2 VAL 55 1.113 -3.149 -6.003 377 HG23 VAL 55 3HG2 VAL 55 1.346 -1.937 -7.263 378 H ASP 56 H ASP 56 4.975 -4.900 -9.384 379 HA ASP 56 HA ASP 56 7.364 -5.052 -7.663 380 HB2 ASP 56 1HB ASP 56 8.348 -6.605 -9.298 381 HB3 ASP 56 2HB ASP 56 6.858 -7.249 -8.613 382 H GLY 57 H GLY 57 9.113 -3.849 -8.231 383 HA2 GLY 57 1HA GLY 57 10.385 -2.824 -10.106 384 HA3 GLY 57 2HA GLY 57 8.840 -2.219 -10.682 385 H VAL 58 H VAL 58 9.505 -2.253 -7.280 386 HA VAL 58 HA VAL 58 9.492 0.674 -7.289 387 HB VAL 58 HB VAL 58 9.296 -1.125 -4.877 388 HG11 VAL 58 1HG1 VAL 58 8.915 0.732 -3.670 389 HG12 VAL 58 2HG1 VAL 58 9.709 1.556 -5.014 390 HG13 VAL 58 3HG1 VAL 58 7.949 1.482 -4.940 391 HG21 VAL 58 1HG2 VAL 58 6.761 -0.105 -5.447 392 HG22 VAL 58 2HG2 VAL 58 7.374 -0.708 -6.987 393 HG23 VAL 58 3HG2 VAL 58 7.292 -1.781 -5.589 394 H ALA 59 H ALA 59 11.643 1.061 -7.897 395 HA ALA 59 HA ALA 59 13.782 -0.008 -6.240 396 HB1 ALA 59 1HB ALA 59 15.179 0.470 -7.939 397 HB2 ALA 59 2HB ALA 59 13.688 0.563 -8.878 398 HB3 ALA 59 3HB ALA 59 14.430 2.036 -8.254 399 H THR 60 H THR 60 11.884 1.728 -4.965 400 HA THR 60 HA THR 60 13.747 3.763 -3.999 401 HB THR 60 HB THR 60 11.772 5.401 -3.903 402 HG1 THR 60 1HG THR 60 10.139 3.922 -4.516 403 HG21 THR 60 1HG2 THR 60 12.380 6.367 -5.951 404 HG22 THR 60 2HG2 THR 60 12.678 4.800 -6.704 405 HG23 THR 60 3HG2 THR 60 13.794 5.421 -5.488 406 H THR 61 H THR 61 12.842 4.848 -1.988 407 HA THR 61 HA THR 61 11.845 2.762 -0.232 408 HB THR 61 HB THR 61 12.226 4.512 1.565 409 HG1 THR 61 1HG THR 61 13.752 5.901 -0.358 410 HG21 THR 61 1HG2 THR 61 14.440 3.927 1.765 411 HG22 THR 61 2HG2 THR 61 14.767 4.152 0.046 412 HG23 THR 61 3HG2 THR 61 13.899 2.720 0.599 413 H ARG 62 H ARG 62 10.582 5.370 -1.995 414 HA ARG 62 HA ARG 62 8.140 5.355 -0.344 415 HB2 ARG 62 1HB ARG 62 9.388 7.533 -0.377 416 HB3 ARG 62 2HB ARG 62 9.090 7.615 -2.108 417 HG2 ARG 62 1HG ARG 62 6.707 7.704 -1.736 418 HG3 ARG 62 2HG ARG 62 6.945 7.498 0.000 419 HD2 ARG 62 1HD ARG 62 7.884 9.625 0.242 420 HD3 ARG 62 2HD ARG 62 8.210 9.774 -1.485 421 HE ARG 62 HE ARG 62 5.428 9.555 -1.020 422 HH11 ARG 62 2HH1 ARG 62 8.089 11.781 -0.728 423 HH12 ARG 62 1HH1 ARG 62 7.096 13.192 -0.889 424 HH21 ARG 62 2HH2 ARG 62 4.111 11.405 -1.233 425 HH22 ARG 62 1HH2 ARG 62 4.833 12.977 -1.175 426 H TYR 63 H TYR 63 6.218 4.986 -1.336 427 HA TYR 63 HA TYR 63 6.017 5.030 -4.230 428 HB2 TYR 63 1HB TYR 63 6.900 2.781 -3.776 429 HB3 TYR 63 2HB TYR 63 5.567 2.478 -2.668 430 HD1 TYR 63 2HD TYR 63 3.265 2.229 -3.542 431 HD2 TYR 63 1HD TYR 63 6.611 2.606 -6.143 432 HE1 TYR 63 2HE TYR 63 1.906 1.373 -5.405 433 HE2 TYR 63 1HE TYR 63 5.261 1.752 -8.013 434 HH TYR 63 HH TYR 63 2.396 0.167 -7.639 435 H SER 64 H SER 64 3.900 5.138 -4.984 436 HA SER 64 HA SER 64 1.851 5.468 -2.892 437 HB2 SER 64 1HB SER 64 0.873 7.244 -4.124 438 HB3 SER 64 2HB SER 64 2.608 7.557 -4.159 439 HG SER 64 HG SER 64 1.304 7.653 -6.218 440 H ILE 65 H ILE 65 -0.146 4.562 -3.198 441 HA ILE 65 HA ILE 65 -0.346 2.664 -5.432 442 HB ILE 65 HB ILE 65 -1.803 2.699 -2.787 443 HG12 ILE 65 1HG1 ILE 65 -0.502 0.392 -2.739 444 HG13 ILE 65 2HG1 ILE 65 0.570 1.230 -3.856 445 HG21 ILE 65 1HG2 ILE 65 -3.317 1.769 -4.319 446 HG22 ILE 65 2HG2 ILE 65 -2.045 0.907 -5.183 447 HG23 ILE 65 3HG2 ILE 65 -2.525 0.383 -3.569 448 HD11 ILE 65 1HD1 ILE 65 -0.034 1.866 -0.998 449 HD12 ILE 65 2HD1 ILE 65 1.526 1.590 -1.774 450 HD13 ILE 65 3HD1 ILE 65 0.637 3.080 -2.087 451 H GLY 66 H GLY 66 -2.249 2.490 -6.648 452 HA2 GLY 66 1HA GLY 66 -4.279 4.573 -6.241 453 HA3 GLY 66 2HA GLY 66 -3.462 4.486 -7.795 454 H GLY 67 H GLY 67 -6.279 4.200 -7.325 455 HA2 GLY 67 1HA GLY 67 -7.765 2.875 -8.619 456 HA3 GLY 67 2HA GLY 67 -6.617 1.547 -8.529 457 H LEU 68 H LEU 68 -7.866 3.515 -5.868 458 HA LEU 68 HA LEU 68 -9.059 1.066 -4.745 459 HB2 LEU 68 1HB LEU 68 -8.041 3.458 -3.224 460 HB3 LEU 68 2HB LEU 68 -8.615 1.936 -2.546 461 HG LEU 68 HG LEU 68 -6.137 2.215 -4.243 462 HD11 LEU 68 1HD1 LEU 68 -6.365 3.263 -1.782 463 HD12 LEU 68 2HD1 LEU 68 -4.876 2.553 -2.405 464 HD13 LEU 68 3HD1 LEU 68 -5.937 1.603 -1.366 465 HD21 LEU 68 1HD2 LEU 68 -7.669 -0.028 -3.340 466 HD22 LEU 68 2HD2 LEU 68 -6.079 -0.050 -2.578 467 HD23 LEU 68 3HD2 LEU 68 -6.214 0.000 -4.336 468 H SER 69 H SER 69 -10.626 1.933 -2.806 469 HA SER 69 HA SER 69 -12.577 3.649 -4.189 470 HB2 SER 69 1HB SER 69 -13.047 1.157 -3.429 471 HB3 SER 69 2HB SER 69 -13.348 1.925 -1.870 472 HG SER 69 HG SER 69 -14.701 2.284 -4.316 473 HA PRO 70 HA PRO 70 -12.092 6.741 -1.096 474 HB2 PRO 70 1HB PRO 70 -14.495 7.980 -1.346 475 HB3 PRO 70 2HB PRO 70 -13.201 8.143 -2.539 476 HG2 PRO 70 1HG PRO 70 -15.621 6.382 -2.598 477 HG3 PRO 70 2HG PRO 70 -14.912 7.353 -3.902 478 HD2 PRO 70 1HD PRO 70 -14.509 4.684 -3.689 479 HD3 PRO 70 2HD PRO 70 -13.286 5.784 -4.356 480 H PHE 71 H PHE 71 -12.490 6.997 1.045 481 HA PHE 71 HA PHE 71 -13.302 6.607 3.133 482 HB2 PHE 71 1HB PHE 71 -15.437 7.427 1.821 483 HB3 PHE 71 2HB PHE 71 -15.953 5.758 2.039 484 HD1 PHE 71 2HD PHE 71 -14.155 8.168 4.248 485 HD2 PHE 71 1HD PHE 71 -17.539 5.648 3.690 486 HE1 PHE 71 2HE PHE 71 -14.927 8.708 6.520 487 HE2 PHE 71 1HE PHE 71 -18.318 6.185 5.962 488 HZ PHE 71 HZ PHE 71 -17.011 7.716 7.380 489 H SER 72 H SER 72 -11.999 4.494 1.735 490 HA SER 72 HA SER 72 -13.342 2.150 2.917 491 HB2 SER 72 1HB SER 72 -12.399 0.768 1.185 492 HB3 SER 72 2HB SER 72 -13.193 2.137 0.407 493 HG SER 72 HG SER 72 -11.018 3.122 0.434 494 H GLU 73 H GLU 73 -11.554 0.301 3.125 495 HA GLU 73 HA GLU 73 -9.159 1.473 4.364 496 HB2 GLU 73 1HB GLU 73 -11.035 0.755 5.994 497 HB3 GLU 73 2HB GLU 73 -10.568 -0.888 5.578 498 HG2 GLU 73 1HG GLU 73 -9.277 -0.587 7.415 499 HG3 GLU 73 2HG GLU 73 -8.166 0.011 6.185 500 H TYR 74 H TYR 74 -7.290 0.469 3.901 501 HA TYR 74 HA TYR 74 -7.363 -2.243 2.796 502 HB2 TYR 74 1HB TYR 74 -6.263 0.205 1.445 503 HB3 TYR 74 2HB TYR 74 -5.599 -1.387 1.096 504 HD1 TYR 74 1HD TYR 74 -8.760 0.568 1.070 505 HD2 TYR 74 2HD TYR 74 -6.658 -2.810 -0.438 506 HE1 TYR 74 1HE TYR 74 -10.562 0.182 -0.559 507 HE2 TYR 74 2HE TYR 74 -8.454 -3.205 -2.071 508 HH TYR 74 HH TYR 74 -11.474 -1.629 -1.900 509 H ALA 75 H ALA 75 -5.479 -3.440 3.092 510 HA ALA 75 HA ALA 75 -3.609 -2.289 5.046 511 HB1 ALA 75 1HB ALA 75 -4.953 -4.341 5.644 512 HB2 ALA 75 2HB ALA 75 -3.986 -5.213 4.453 513 HB3 ALA 75 3HB ALA 75 -3.206 -4.475 5.852 514 H PHE 76 H PHE 76 -1.765 -1.598 4.193 515 HA PHE 76 HA PHE 76 -0.733 -2.850 1.762 516 HB2 PHE 76 1HB PHE 76 0.223 -0.361 3.190 517 HB3 PHE 76 2HB PHE 76 0.746 -0.917 1.604 518 HD1 PHE 76 1HD PHE 76 -0.868 -0.907 -0.291 519 HD2 PHE 76 2HD PHE 76 -1.751 0.897 3.462 520 HE1 PHE 76 1HE PHE 76 -2.678 0.386 -1.342 521 HE2 PHE 76 2HE PHE 76 -3.563 2.192 2.417 522 HZ PHE 76 HZ PHE 76 -4.029 1.937 0.012 523 H ARG 77 H ARG 77 1.530 -3.408 1.593 524 HA ARG 77 HA ARG 77 3.148 -3.646 3.942 525 HB2 ARG 77 1HB ARG 77 3.172 -6.003 4.204 526 HB3 ARG 77 2HB ARG 77 1.477 -5.535 4.163 527 HG2 ARG 77 1HG ARG 77 1.807 -6.053 1.575 528 HG3 ARG 77 2HG ARG 77 3.061 -7.111 2.225 529 HD2 ARG 77 1HD ARG 77 0.329 -7.138 3.431 530 HD3 ARG 77 2HD ARG 77 0.618 -7.989 1.914 531 HE ARG 77 HE ARG 77 2.591 -8.943 3.433 532 HH11 ARG 77 2HH1 ARG 77 -0.799 -8.510 4.098 533 HH12 ARG 77 1HH1 ARG 77 -0.887 -9.844 5.200 534 HH21 ARG 77 2HH2 ARG 77 2.488 -10.702 4.882 535 HH22 ARG 77 1HH2 ARG 77 0.984 -11.090 5.646 536 H VAL 78 H VAL 78 5.103 -3.209 3.186 537 HA VAL 78 HA VAL 78 5.773 -3.838 0.419 538 HB VAL 78 HB VAL 78 7.439 -2.338 2.440 539 HG11 VAL 78 1HG1 VAL 78 7.612 -2.764 -0.522 540 HG12 VAL 78 2HG1 VAL 78 8.350 -1.355 0.243 541 HG13 VAL 78 3HG1 VAL 78 8.858 -2.980 0.707 542 HG21 VAL 78 1HG2 VAL 78 5.480 -1.063 2.271 543 HG22 VAL 78 2HG2 VAL 78 6.589 -0.320 1.118 544 HG23 VAL 78 3HG2 VAL 78 5.310 -1.391 0.546 545 H LEU 79 H LEU 79 7.749 -4.899 -0.152 546 HA LEU 79 HA LEU 79 9.097 -6.431 1.926 547 HB2 LEU 79 1HB LEU 79 8.826 -8.538 0.669 548 HB3 LEU 79 2HB LEU 79 7.314 -7.911 1.321 549 HG LEU 79 HG LEU 79 7.140 -6.887 -1.132 550 HD11 LEU 79 1HD1 LEU 79 8.584 -7.696 -2.603 551 HD12 LEU 79 2HD1 LEU 79 8.070 -9.340 -2.224 552 HD13 LEU 79 3HD1 LEU 79 9.389 -8.598 -1.318 553 HD21 LEU 79 1HD2 LEU 79 5.431 -8.326 -1.361 554 HD22 LEU 79 2HD2 LEU 79 5.860 -8.820 0.278 555 HD23 LEU 79 3HD2 LEU 79 6.453 -9.741 -1.105 556 H ALA 80 H ALA 80 11.200 -6.878 1.461 557 HA ALA 80 HA ALA 80 12.357 -5.525 -0.801 558 HB1 ALA 80 1HB ALA 80 14.183 -7.220 0.683 559 HB2 ALA 80 2HB ALA 80 14.203 -5.472 0.444 560 HB3 ALA 80 3HB ALA 80 13.234 -6.174 1.740 561 H VAL 81 H VAL 81 13.348 -6.412 -2.570 562 HA VAL 81 HA VAL 81 13.267 -9.338 -2.852 563 HB VAL 81 HB VAL 81 12.471 -7.432 -5.053 564 HG11 VAL 81 1HG1 VAL 81 13.072 -9.264 -6.233 565 HG12 VAL 81 2HG1 VAL 81 12.893 -10.347 -4.852 566 HG13 VAL 81 3HG1 VAL 81 11.470 -9.824 -5.755 567 HG21 VAL 81 1HG2 VAL 81 10.201 -8.719 -4.574 568 HG22 VAL 81 2HG2 VAL 81 10.873 -8.780 -2.944 569 HG23 VAL 81 3HG2 VAL 81 10.621 -7.225 -3.736 570 H ASN 82 H ASN 82 14.899 -10.247 -4.072 571 HA ASN 82 HA ASN 82 16.788 -8.545 -5.468 572 HB2 ASN 82 1HB ASN 82 18.725 -9.240 -4.200 573 HB3 ASN 82 2HB ASN 82 17.552 -8.529 -3.095 574 HD21 ASN 82 1HD2 ASN 82 18.519 -9.618 -1.361 575 HD22 ASN 82 2HD2 ASN 82 18.261 -11.306 -1.098 576 H SER 83 H SER 83 18.774 -10.133 -6.089 577 HA SER 83 HA SER 83 17.819 -11.875 -8.000 578 HB2 SER 83 1HB SER 83 20.458 -11.547 -6.639 579 HB3 SER 83 2HB SER 83 20.212 -12.967 -7.656 580 HG SER 83 HG SER 83 20.502 -11.719 -9.307 581 H ILE 84 H ILE 84 18.489 -12.468 -4.618 582 HA ILE 84 HA ILE 84 18.351 -15.308 -4.750 583 HB ILE 84 HB ILE 84 17.734 -13.663 -2.306 584 HG12 ILE 84 1HG1 ILE 84 19.780 -12.754 -3.232 585 HG13 ILE 84 2HG1 ILE 84 20.175 -13.736 -1.826 586 HG21 ILE 84 1HG2 ILE 84 17.584 -16.299 -2.584 587 HG22 ILE 84 2HG2 ILE 84 19.312 -16.172 -2.263 588 HG23 ILE 84 3HG2 ILE 84 18.150 -15.543 -1.095 589 HD11 ILE 84 1HD1 ILE 84 21.604 -14.883 -3.054 590 HD12 ILE 84 2HD1 ILE 84 20.281 -15.418 -4.091 591 HD13 ILE 84 3HD1 ILE 84 21.161 -13.939 -4.476 592 H GLY 85 H GLY 85 16.033 -12.883 -3.520 593 HA2 GLY 85 1HA GLY 85 13.758 -13.833 -4.727 594 HA3 GLY 85 2HA GLY 85 13.927 -14.807 -3.274 595 H ARG 86 H ARG 86 11.696 -13.358 -3.465 596 HA ARG 86 HA ARG 86 12.043 -10.777 -2.196 597 HB2 ARG 86 1HB ARG 86 9.609 -10.610 -2.335 598 HB3 ARG 86 2HB ARG 86 10.293 -11.080 -3.886 599 HG2 ARG 86 1HG ARG 86 9.755 -13.475 -3.217 600 HG3 ARG 86 2HG ARG 86 8.777 -12.770 -1.928 601 HD2 ARG 86 1HD ARG 86 7.215 -13.025 -3.599 602 HD3 ARG 86 2HD ARG 86 7.745 -11.364 -3.865 603 HE ARG 86 HE ARG 86 8.435 -12.024 -5.927 604 HH11 ARG 86 2HH1 ARG 86 8.517 -14.792 -3.817 605 HH12 ARG 86 1HH1 ARG 86 9.027 -15.887 -5.059 606 HH21 ARG 86 2HH2 ARG 86 9.107 -13.456 -7.570 607 HH22 ARG 86 1HH2 ARG 86 9.363 -15.125 -7.193 608 H GLY 87 H GLY 87 12.222 -10.519 -0.075 609 HA2 GLY 87 1HA GLY 87 11.839 -12.687 1.747 610 HA3 GLY 87 2HA GLY 87 12.252 -11.033 2.171 611 HA PRO 88 HA PRO 88 7.881 -12.004 3.529 612 HB2 PRO 88 1HB PRO 88 8.256 -11.356 6.138 613 HB3 PRO 88 2HB PRO 88 8.550 -12.977 5.499 614 HG2 PRO 88 1HG PRO 88 10.505 -10.784 6.072 615 HG3 PRO 88 2HG PRO 88 10.637 -12.518 6.416 616 HD2 PRO 88 1HD PRO 88 11.855 -11.357 4.294 617 HD3 PRO 88 2HD PRO 88 11.256 -13.028 4.255 618 HA PRO 89 HA PRO 89 6.767 -7.744 3.240 619 HB2 PRO 89 1HB PRO 89 4.237 -7.894 4.213 620 HB3 PRO 89 2HB PRO 89 4.686 -8.485 2.609 621 HG2 PRO 89 1HG PRO 89 4.314 -10.014 5.156 622 HG3 PRO 89 2HG PRO 89 3.777 -10.424 3.516 623 HD2 PRO 89 1HD PRO 89 5.985 -11.515 4.641 624 HD3 PRO 89 2HD PRO 89 5.853 -11.210 2.897 625 H SER 90 H SER 90 6.594 -5.902 4.493 626 HA SER 90 HA SER 90 7.458 -6.130 7.209 627 HB2 SER 90 1HB SER 90 8.321 -4.267 6.038 628 HB3 SER 90 2HB SER 90 6.728 -3.798 5.444 629 HG SER 90 HG SER 90 6.328 -2.807 7.273 630 H GLU 91 H GLU 91 6.331 -4.737 8.925 631 HA GLU 91 HA GLU 91 3.960 -5.864 9.687 632 HB2 GLU 91 1HB GLU 91 5.176 -3.192 10.329 633 HB3 GLU 91 2HB GLU 91 3.635 -3.672 11.026 634 HG2 GLU 91 1HG GLU 91 4.615 -5.510 12.153 635 HG3 GLU 91 2HG GLU 91 6.128 -5.329 11.267 636 H ALA 92 H ALA 92 2.391 -6.040 8.137 637 HA ALA 92 HA ALA 92 1.519 -4.284 6.262 638 HB1 ALA 92 1HB ALA 92 0.246 -6.453 7.785 639 HB2 ALA 92 2HB ALA 92 -0.864 -5.308 7.031 640 HB3 ALA 92 3HB ALA 92 0.315 -6.172 6.045 641 H VAL 93 H VAL 93 0.780 -2.272 6.280 642 HA VAL 93 HA VAL 93 -0.352 -1.206 8.776 643 HB VAL 93 HB VAL 93 0.229 1.005 7.983 644 HG11 VAL 93 1HG1 VAL 93 2.781 -0.251 7.334 645 HG12 VAL 93 2HG1 VAL 93 2.348 0.813 8.674 646 HG13 VAL 93 3HG1 VAL 93 2.018 -0.917 8.778 647 HG21 VAL 93 1HG2 VAL 93 0.077 1.216 5.739 648 HG22 VAL 93 2HG2 VAL 93 1.801 0.847 5.802 649 HG23 VAL 93 3HG2 VAL 93 0.639 -0.428 5.438 650 H ARG 94 H ARG 94 -2.397 -0.493 8.855 651 HA ARG 94 HA ARG 94 -3.988 -0.674 6.400 652 HB2 ARG 94 1HB ARG 94 -4.673 -0.802 9.324 653 HB3 ARG 94 2HB ARG 94 -5.915 -0.496 8.117 654 HG2 ARG 94 1HG ARG 94 -5.113 -2.623 6.979 655 HG3 ARG 94 2HG ARG 94 -4.218 -2.944 8.466 656 HD2 ARG 94 1HD ARG 94 -6.402 -2.660 9.697 657 HD3 ARG 94 2HD ARG 94 -7.195 -2.654 8.122 658 HE ARG 94 HE ARG 94 -6.831 -4.921 7.954 659 HH11 ARG 94 2HH1 ARG 94 -5.031 -3.629 10.639 660 HH12 ARG 94 1HH1 ARG 94 -4.611 -5.185 11.275 661 HH21 ARG 94 2HH2 ARG 94 -6.285 -6.975 8.782 662 HH22 ARG 94 1HH2 ARG 94 -5.324 -7.087 10.218 663 H ALA 95 H ALA 95 -4.604 1.111 5.386 664 HA ALA 95 HA ALA 95 -4.847 3.605 6.934 665 HB1 ALA 95 1HB ALA 95 -2.766 3.505 5.532 666 HB2 ALA 95 2HB ALA 95 -3.810 3.473 4.111 667 HB3 ALA 95 3HB ALA 95 -3.836 4.866 5.192 668 H ARG 96 H ARG 96 -6.758 4.578 6.746 669 HA ARG 96 HA ARG 96 -8.691 3.538 4.844 670 HB2 ARG 96 1HB ARG 96 -9.065 4.125 7.370 671 HB3 ARG 96 2HB ARG 96 -9.273 5.762 6.763 672 HG2 ARG 96 1HG ARG 96 -11.114 5.073 5.380 673 HG3 ARG 96 2HG ARG 96 -10.851 3.382 5.812 674 HD2 ARG 96 1HD ARG 96 -12.660 4.134 7.138 675 HD3 ARG 96 2HD ARG 96 -11.260 4.055 8.207 676 HE ARG 96 HE ARG 96 -11.490 6.648 7.127 677 HH11 ARG 96 2HH1 ARG 96 -13.021 4.517 9.414 678 HH12 ARG 96 1HH1 ARG 96 -13.626 5.802 10.405 679 HH21 ARG 96 2HH2 ARG 96 -12.282 8.350 8.423 680 HH22 ARG 96 1HH2 ARG 96 -13.206 7.983 9.840 681 H THR 97 H THR 97 -9.016 4.432 2.927 682 HA THR 97 HA THR 97 -7.763 6.844 2.120 683 HB THR 97 HB THR 97 -8.942 6.569 0.003 684 HG1 THR 97 1HG THR 97 -10.966 5.876 0.769 685 HG21 THR 97 1HG2 THR 97 -7.580 4.275 1.299 686 HG22 THR 97 2HG2 THR 97 -7.133 5.193 -0.140 687 HG23 THR 97 3HG2 THR 97 -8.395 3.965 -0.234 688 H GLY 98 H GLY 98 -8.781 8.790 1.364 689 HA2 GLY 98 1HA GLY 98 -10.759 9.767 3.174 690 HA3 GLY 98 2HA GLY 98 -10.077 10.641 1.811 691 H GLU 99 H GLU 99 -12.745 10.887 2.473 692 HA GLU 99 HA GLU 99 -14.153 9.257 0.475 693 HB2 GLU 99 1HB GLU 99 -16.214 9.953 1.587 694 HB3 GLU 99 2HB GLU 99 -15.101 9.222 2.735 695 HG2 GLU 99 1HG GLU 99 -15.848 11.033 3.917 696 HG3 GLU 99 2HG GLU 99 -14.379 11.679 3.187 697 H GLN 100 H GLN 100 -12.415 11.520 -0.180 698 HA GLN 100 HA GLN 100 -13.980 13.798 -0.812 699 HB2 GLN 100 1HB GLN 100 -11.336 12.817 -1.892 700 HB3 GLN 100 2HB GLN 100 -12.052 14.363 -2.330 701 HG2 GLN 100 1HG GLN 100 -11.938 15.111 -0.041 702 HG3 GLN 100 2HG GLN 100 -11.340 13.535 0.474 703 HE21 GLN 100 1HE2 GLN 100 -10.194 16.286 0.603 704 HE22 GLN 100 2HE2 GLN 100 -8.629 16.148 -0.116 705 H SER 101 H SER 101 -15.362 14.137 -2.421 706 HA SER 101 HA SER 101 -16.742 13.633 -4.179 707 HB2 SER 101 1HB SER 101 -14.011 13.227 -5.419 708 HB3 SER 101 2HB SER 101 -15.508 13.367 -6.341 709 HG SER 101 HG SER 101 -15.586 15.453 -5.930 710 H GLY 102 H GLY 102 -16.565 11.471 -2.466 711 HA2 GLY 102 1HA GLY 102 -16.481 9.181 -4.334 712 HA3 GLY 102 2HA GLY 102 -16.091 9.056 -2.625 713 HA PRO 103 HA PRO 103 -20.231 7.887 -1.784 714 HB2 PRO 103 1HB PRO 103 -20.528 8.831 0.745 715 HB3 PRO 103 2HB PRO 103 -19.534 7.421 0.355 716 HG2 PRO 103 1HG PRO 103 -18.697 10.254 0.840 717 HG3 PRO 103 2HG PRO 103 -17.951 8.753 1.418 718 HD2 PRO 103 1HD PRO 103 -16.983 10.139 -0.696 719 HD3 PRO 103 2HD PRO 103 -16.870 8.371 -0.581 720 H SER 104 H SER 104 -21.915 8.829 -2.747 721 HA SER 104 HA SER 104 -22.394 11.417 -3.328 722 HB2 SER 104 1HB SER 104 -24.229 9.129 -2.769 723 HB3 SER 104 2HB SER 104 -24.935 10.734 -2.963 724 HG SER 104 HG SER 104 -23.627 9.119 -4.823 725 H SER 105 H SER 105 -23.378 13.199 -2.405 726 HA SER 105 HA SER 105 -22.854 13.910 0.147 727 HB2 SER 105 1HB SER 105 -25.283 14.736 -1.461 728 HB3 SER 105 2HB SER 105 -24.691 15.577 -0.028 729 HG SER 105 HG SER 105 -22.603 15.512 -1.415 730 H GLY 106 H GLY 106 -25.908 12.435 -0.941 731 HA2 GLY 106 1HA GLY 106 -26.992 10.739 0.371 732 HA3 GLY 106 2HA GLY 106 -26.306 11.474 1.813 Start of MODEL 8 1 H1 GLY 1 H GLY 1 25.983 -20.164 0.759 2 HA2 GLY 1 1HA GLY 1 28.159 -21.201 -0.553 3 HA3 GLY 1 2HA GLY 1 26.906 -22.418 -0.746 4 H SER 2 H SER 2 26.660 -22.174 -2.943 5 HA SER 2 HA SER 2 26.536 -19.832 -4.397 6 HB2 SER 2 1HB SER 2 25.179 -21.139 -6.049 7 HB3 SER 2 2HB SER 2 26.638 -21.972 -5.513 8 HG SER 2 HG SER 2 23.956 -22.537 -4.972 9 H SER 3 H SER 3 23.748 -21.668 -3.138 10 HA SER 3 HA SER 3 22.202 -19.159 -3.195 11 HB2 SER 3 1HB SER 3 21.146 -21.982 -3.497 12 HB3 SER 3 2HB SER 3 20.190 -20.501 -3.563 13 HG SER 3 HG SER 3 21.883 -21.616 -5.457 14 H GLY 4 H GLY 4 22.989 -18.723 -1.044 15 HA2 GLY 4 1HA GLY 4 22.889 -20.271 1.193 16 HA3 GLY 4 2HA GLY 4 22.512 -18.555 1.207 17 H SER 5 H SER 5 21.349 -20.312 3.002 18 HA SER 5 HA SER 5 18.649 -20.812 1.990 19 HB2 SER 5 1HB SER 5 18.305 -22.068 4.068 20 HB3 SER 5 2HB SER 5 19.762 -22.623 3.244 21 HG SER 5 HG SER 5 19.790 -22.110 5.646 22 H SER 6 H SER 6 19.027 -18.184 2.056 23 HA SER 6 HA SER 6 17.049 -17.261 3.855 24 HB2 SER 6 1HB SER 6 18.969 -17.444 5.440 25 HB3 SER 6 2HB SER 6 19.852 -16.284 4.448 26 HG SER 6 HG SER 6 18.618 -14.705 5.166 27 H GLY 7 H GLY 7 16.341 -15.173 3.364 28 HA2 GLY 7 1HA GLY 7 17.579 -14.027 0.940 29 HA3 GLY 7 2HA GLY 7 15.864 -13.939 1.313 30 HA PRO 8 HA PRO 8 17.762 -9.914 2.554 31 HB2 PRO 8 1HB PRO 8 15.748 -8.398 1.546 32 HB3 PRO 8 2HB PRO 8 17.118 -8.946 0.572 33 HG2 PRO 8 1HG PRO 8 14.355 -10.083 0.764 34 HG3 PRO 8 2HG PRO 8 15.359 -9.819 -0.674 35 HD2 PRO 8 1HD PRO 8 15.095 -12.248 0.494 36 HD3 PRO 8 2HD PRO 8 16.587 -11.738 -0.321 37 H LYS 9 H LYS 9 16.506 -8.032 3.687 38 HA LYS 9 HA LYS 9 14.728 -9.273 5.675 39 HB2 LYS 9 1HB LYS 9 16.575 -6.892 5.856 40 HB3 LYS 9 2HB LYS 9 15.398 -7.292 7.101 41 HG2 LYS 9 1HG LYS 9 16.549 -9.607 7.110 42 HG3 LYS 9 2HG LYS 9 17.871 -8.765 6.297 43 HD2 LYS 9 1HD LYS 9 17.567 -7.049 8.258 44 HD3 LYS 9 2HD LYS 9 16.816 -8.426 9.069 45 HE2 LYS 9 1HE LYS 9 19.436 -8.838 7.724 46 HE3 LYS 9 2HE LYS 9 19.414 -7.944 9.243 47 HZ1 LYS 9 1HZ LYS 9 17.825 -10.293 9.416 48 HZ2 LYS 9 2HZ LYS 9 19.139 -9.818 10.370 49 HZ3 LYS 9 3HZ LYS 9 19.402 -10.677 8.937 50 HA PRO 10 HA PRO 10 11.349 -6.758 4.429 51 HB2 PRO 10 1HB PRO 10 10.040 -6.480 6.792 52 HB3 PRO 10 2HB PRO 10 10.064 -7.994 5.879 53 HG2 PRO 10 1HG PRO 10 11.713 -7.180 8.241 54 HG3 PRO 10 2HG PRO 10 10.921 -8.732 7.911 55 HD2 PRO 10 1HD PRO 10 13.567 -8.329 7.497 56 HD3 PRO 10 2HD PRO 10 12.600 -9.430 6.494 57 HA PRO 11 HA PRO 11 12.430 -2.549 5.197 58 HB2 PRO 11 1HB PRO 11 10.128 -1.364 4.380 59 HB3 PRO 11 2HB PRO 11 11.299 -2.062 3.256 60 HG2 PRO 11 1HG PRO 11 8.746 -3.228 4.297 61 HG3 PRO 11 2HG PRO 11 9.396 -3.250 2.647 62 HD2 PRO 11 1HD PRO 11 9.591 -5.371 4.319 63 HD3 PRO 11 2HD PRO 11 10.827 -4.999 3.100 64 H ILE 12 H ILE 12 12.073 -0.872 6.658 65 HA ILE 12 HA ILE 12 10.046 -1.417 8.729 66 HB ILE 12 HB ILE 12 11.535 -0.336 10.352 67 HG12 ILE 12 1HG1 ILE 12 13.495 -0.243 8.048 68 HG13 ILE 12 2HG1 ILE 12 12.749 1.145 8.833 69 HG21 ILE 12 1HG2 ILE 12 11.663 -2.865 9.486 70 HG22 ILE 12 2HG2 ILE 12 13.320 -2.363 9.157 71 HG23 ILE 12 3HG2 ILE 12 12.672 -2.243 10.792 72 HD11 ILE 12 1HD1 ILE 12 14.715 1.171 9.931 73 HD12 ILE 12 2HD1 ILE 12 13.886 0.005 10.963 74 HD13 ILE 12 3HD1 ILE 12 14.991 -0.556 9.709 75 H ASP 13 H ASP 13 9.760 0.711 10.116 76 HA ASP 13 HA ASP 13 8.847 2.793 10.216 77 HB2 ASP 13 1HB ASP 13 11.247 3.228 9.229 78 HB3 ASP 13 2HB ASP 13 10.351 3.628 7.766 79 H LEU 14 H LEU 14 7.541 0.742 8.647 80 HA LEU 14 HA LEU 14 6.507 1.832 6.241 81 HB2 LEU 14 1HB LEU 14 6.533 -0.618 7.188 82 HB3 LEU 14 2HB LEU 14 4.971 -0.148 7.856 83 HG LEU 14 HG LEU 14 4.194 0.368 5.561 84 HD11 LEU 14 1HD1 LEU 14 5.979 -1.070 3.984 85 HD12 LEU 14 2HD1 LEU 14 6.991 -0.025 4.980 86 HD13 LEU 14 3HD1 LEU 14 5.720 0.675 3.978 87 HD21 LEU 14 1HD2 LEU 14 3.401 -1.686 6.059 88 HD22 LEU 14 2HD2 LEU 14 4.987 -2.309 6.515 89 HD23 LEU 14 3HD2 LEU 14 4.543 -2.188 4.812 90 H VAL 15 H VAL 15 5.386 3.672 6.220 91 HA VAL 15 HA VAL 15 2.932 3.844 7.744 92 HB VAL 15 HB VAL 15 4.714 6.230 7.988 93 HG11 VAL 15 1HG1 VAL 15 3.322 6.023 10.290 94 HG12 VAL 15 2HG1 VAL 15 2.729 6.860 8.854 95 HG13 VAL 15 3HG1 VAL 15 2.225 5.201 9.181 96 HG21 VAL 15 1HG2 VAL 15 6.018 4.259 8.784 97 HG22 VAL 15 2HG2 VAL 15 5.673 5.447 10.040 98 HG23 VAL 15 3HG2 VAL 15 4.742 3.952 9.962 99 H VAL 16 H VAL 16 1.531 5.552 7.014 100 HA VAL 16 HA VAL 16 2.143 6.375 4.257 101 HB VAL 16 HB VAL 16 0.177 5.165 4.117 102 HG11 VAL 16 1HG1 VAL 16 -0.744 6.458 6.682 103 HG12 VAL 16 2HG1 VAL 16 -1.660 5.282 5.737 104 HG13 VAL 16 3HG1 VAL 16 -0.143 4.810 6.503 105 HG21 VAL 16 1HG2 VAL 16 0.042 7.697 3.426 106 HG22 VAL 16 2HG2 VAL 16 -1.382 6.660 3.344 107 HG23 VAL 16 3HG2 VAL 16 -1.167 7.757 4.708 108 H THR 17 H THR 17 2.340 8.464 3.753 109 HA THR 17 HA THR 17 1.979 10.437 5.874 110 HB THR 17 HB THR 17 4.114 10.441 4.657 111 HG1 THR 17 1HG THR 17 4.010 12.501 5.099 112 HG21 THR 17 1HG2 THR 17 2.870 9.756 2.455 113 HG22 THR 17 2HG2 THR 17 4.329 10.744 2.378 114 HG23 THR 17 3HG2 THR 17 2.743 11.499 2.221 115 H GLU 18 H GLU 18 0.854 9.722 2.604 116 HA GLU 18 HA GLU 18 -1.308 11.679 3.009 117 HB2 GLU 18 1HB GLU 18 0.289 11.161 0.502 118 HB3 GLU 18 2HB GLU 18 -1.246 12.017 0.499 119 HG2 GLU 18 1HG GLU 18 -0.222 13.626 2.142 120 HG3 GLU 18 2HG GLU 18 1.324 12.847 1.810 121 H THR 19 H THR 19 -3.325 11.152 2.100 122 HA THR 19 HA THR 19 -3.621 8.463 0.979 123 HB THR 19 HB THR 19 -5.771 8.356 2.505 124 HG1 THR 19 1HG THR 19 -5.775 9.789 4.051 125 HG21 THR 19 1HG2 THR 19 -3.521 7.715 4.219 126 HG22 THR 19 2HG2 THR 19 -3.252 7.183 2.559 127 HG23 THR 19 3HG2 THR 19 -4.682 6.642 3.437 128 H THR 20 H THR 20 -4.547 8.820 -0.928 129 HA THR 20 HA THR 20 -6.447 11.014 -1.245 130 HB THR 20 HB THR 20 -5.761 9.242 -3.535 131 HG1 THR 20 1HG THR 20 -3.942 11.200 -2.548 132 HG21 THR 20 1HG2 THR 20 -5.390 11.865 -4.258 133 HG22 THR 20 2HG2 THR 20 -6.662 11.979 -3.042 134 HG23 THR 20 3HG2 THR 20 -6.885 10.952 -4.458 135 H ALA 21 H ALA 21 -8.464 10.653 -2.422 136 HA ALA 21 HA ALA 21 -10.050 8.664 -1.268 137 HB1 ALA 21 1HB ALA 21 -11.316 9.404 -3.653 138 HB2 ALA 21 2HB ALA 21 -11.578 10.076 -2.043 139 HB3 ALA 21 3HB ALA 21 -10.406 10.822 -3.130 140 H THR 22 H THR 22 -8.153 8.668 -4.195 141 HA THR 22 HA THR 22 -8.936 5.865 -4.645 142 HB THR 22 HB THR 22 -8.589 6.265 -7.101 143 HG1 THR 22 1HG THR 22 -7.445 8.284 -6.832 144 HG21 THR 22 1HG2 THR 22 -10.812 6.384 -7.195 145 HG22 THR 22 2HG2 THR 22 -10.776 8.080 -6.711 146 HG23 THR 22 3HG2 THR 22 -10.829 6.813 -5.485 147 H SER 23 H SER 23 -6.583 7.472 -3.424 148 HA SER 23 HA SER 23 -4.536 5.693 -4.424 149 HB2 SER 23 1HB SER 23 -4.073 8.678 -4.587 150 HB3 SER 23 2HB SER 23 -2.962 7.401 -5.081 151 HG SER 23 HG SER 23 -3.925 7.982 -6.935 152 H VAL 24 H VAL 24 -2.408 6.140 -3.220 153 HA VAL 24 HA VAL 24 -2.661 7.452 -0.663 154 HB VAL 24 HB VAL 24 -3.698 5.475 0.066 155 HG11 VAL 24 1HG1 VAL 24 -2.177 4.265 -2.043 156 HG12 VAL 24 2HG1 VAL 24 -1.974 3.347 -0.549 157 HG13 VAL 24 3HG1 VAL 24 -3.591 3.646 -1.190 158 HG21 VAL 24 1HG2 VAL 24 -1.720 6.257 1.412 159 HG22 VAL 24 2HG2 VAL 24 -2.188 4.576 1.666 160 HG23 VAL 24 3HG2 VAL 24 -0.791 4.960 0.661 161 H THR 25 H THR 25 -0.672 7.658 0.443 162 HA THR 25 HA THR 25 1.683 6.950 -1.183 163 HB THR 25 HB THR 25 1.464 9.331 0.664 164 HG1 THR 25 1HG THR 25 1.417 10.463 -1.453 165 HG21 THR 25 1HG2 THR 25 3.656 8.055 -0.627 166 HG22 THR 25 2HG2 THR 25 3.660 9.525 0.347 167 HG23 THR 25 3HG2 THR 25 3.402 9.622 -1.395 168 H LEU 26 H LEU 26 2.858 5.418 -0.250 169 HA LEU 26 HA LEU 26 2.951 5.299 2.690 170 HB2 LEU 26 1HB LEU 26 2.058 3.340 1.278 171 HB3 LEU 26 2HB LEU 26 3.746 3.064 0.855 172 HG LEU 26 HG LEU 26 4.129 2.961 3.410 173 HD11 LEU 26 1HD1 LEU 26 1.734 3.801 3.797 174 HD12 LEU 26 2HD1 LEU 26 2.323 2.471 4.794 175 HD13 LEU 26 3HD1 LEU 26 1.246 2.145 3.436 176 HD21 LEU 26 1HD2 LEU 26 4.528 0.962 2.400 177 HD22 LEU 26 2HD2 LEU 26 2.960 0.928 1.592 178 HD23 LEU 26 3HD2 LEU 26 3.079 0.527 3.306 179 H THR 27 H THR 27 4.968 4.769 3.699 180 HA THR 27 HA THR 27 7.365 5.163 2.061 181 HB THR 27 HB THR 27 8.298 6.683 3.842 182 HG1 THR 27 1HG THR 27 6.370 6.035 5.272 183 HG21 THR 27 1HG2 THR 27 5.914 7.587 2.228 184 HG22 THR 27 2HG2 THR 27 7.613 7.648 1.760 185 HG23 THR 27 3HG2 THR 27 7.016 8.689 3.052 186 H TRP 28 H TRP 28 9.364 4.578 3.207 187 HA TRP 28 HA TRP 28 9.345 3.240 5.691 188 HB2 TRP 28 1HB TRP 28 9.611 0.930 4.968 189 HB3 TRP 28 2HB TRP 28 8.064 1.560 4.407 190 HD1 TRP 28 HD TRP 28 11.438 0.328 3.131 191 HE1 TRP 28 1HE TRP 28 11.290 -0.011 0.584 192 HE3 TRP 28 3HE TRP 28 6.848 2.419 2.299 193 HZ2 TRP 28 2HZ TRP 28 9.469 0.537 -1.502 194 HZ3 TRP 28 3HZ TRP 28 5.975 2.473 -0.001 195 HH2 TRP 28 HH TRP 28 7.261 1.551 -1.861 196 H ASP 29 H ASP 29 11.419 1.682 5.739 197 HA ASP 29 HA ASP 29 13.577 3.163 4.381 198 HB2 ASP 29 1HB ASP 29 13.269 2.249 7.194 199 HB3 ASP 29 2HB ASP 29 14.880 2.145 6.488 200 H SER 30 H SER 30 15.507 1.950 3.879 201 HA SER 30 HA SER 30 15.079 -0.372 2.471 202 HB2 SER 30 1HB SER 30 17.663 0.485 3.797 203 HB3 SER 30 2HB SER 30 17.521 -0.677 2.478 204 HG SER 30 HG SER 30 16.651 2.020 2.331 205 H GLY 31 H GLY 31 16.322 -0.065 5.789 206 HA2 GLY 31 1HA GLY 31 16.117 -1.531 7.564 207 HA3 GLY 31 2HA GLY 31 15.130 -2.565 6.543 208 H ASN 32 H ASN 32 16.827 -3.165 4.484 209 HA ASN 32 HA ASN 32 18.718 -4.921 5.835 210 HB2 ASN 32 1HB ASN 32 18.969 -5.669 3.288 211 HB3 ASN 32 2HB ASN 32 17.631 -6.220 4.292 212 HD21 ASN 32 1HD2 ASN 32 15.585 -5.573 3.835 213 HD22 ASN 32 2HD2 ASN 32 15.164 -4.631 2.449 214 H SER 33 H SER 33 20.906 -5.178 5.037 215 HA SER 33 HA SER 33 22.058 -2.596 4.281 216 HB2 SER 33 1HB SER 33 22.820 -4.019 6.318 217 HB3 SER 33 2HB SER 33 23.659 -5.001 5.117 218 HG SER 33 HG SER 33 25.040 -3.393 5.867 219 H GLU 34 H GLU 34 21.893 -5.955 3.254 220 HA GLU 34 HA GLU 34 23.795 -5.835 1.188 221 HB2 GLU 34 1HB GLU 34 21.473 -7.614 1.807 222 HB3 GLU 34 2HB GLU 34 22.249 -7.742 0.235 223 HG2 GLU 34 1HG GLU 34 24.325 -8.339 1.207 224 HG3 GLU 34 2HG GLU 34 23.758 -7.928 2.825 225 HA PRO 35 HA PRO 35 21.843 -3.534 -2.001 226 HB2 PRO 35 1HB PRO 35 22.853 -4.761 -4.203 227 HB3 PRO 35 2HB PRO 35 23.819 -3.708 -3.161 228 HG2 PRO 35 1HG PRO 35 23.672 -6.698 -3.220 229 HG3 PRO 35 2HG PRO 35 25.095 -5.650 -3.071 230 HD2 PRO 35 1HD PRO 35 23.961 -6.879 -0.941 231 HD3 PRO 35 2HD PRO 35 24.754 -5.295 -0.820 232 H VAL 36 H VAL 36 19.661 -3.921 -1.942 233 HA VAL 36 HA VAL 36 18.581 -6.413 -2.971 234 HB VAL 36 HB VAL 36 16.872 -4.067 -2.246 235 HG11 VAL 36 1HG1 VAL 36 15.270 -5.590 -2.438 236 HG12 VAL 36 2HG1 VAL 36 16.477 -6.811 -2.848 237 HG13 VAL 36 3HG1 VAL 36 16.020 -6.551 -1.163 238 HG21 VAL 36 1HG2 VAL 36 18.034 -3.933 -0.304 239 HG22 VAL 36 2HG2 VAL 36 17.005 -5.299 0.125 240 HG23 VAL 36 3HG2 VAL 36 18.654 -5.579 -0.432 241 H THR 37 H THR 37 17.153 -6.564 -4.737 242 HA THR 37 HA THR 37 17.828 -4.849 -6.933 243 HB THR 37 HB THR 37 15.746 -7.040 -6.821 244 HG1 THR 37 1HG THR 37 18.532 -7.050 -7.322 245 HG21 THR 37 1HG2 THR 37 15.238 -6.397 -8.894 246 HG22 THR 37 2HG2 THR 37 16.884 -6.804 -9.379 247 HG23 THR 37 3HG2 THR 37 16.497 -5.163 -8.863 248 H TYR 38 H TYR 38 14.690 -5.716 -5.465 249 HA TYR 38 HA TYR 38 13.801 -2.969 -5.653 250 HB2 TYR 38 1HB TYR 38 12.000 -3.292 -7.136 251 HB3 TYR 38 2HB TYR 38 13.358 -4.100 -7.911 252 HD1 TYR 38 2HD TYR 38 13.496 -6.585 -7.869 253 HD2 TYR 38 1HD TYR 38 10.068 -4.503 -6.451 254 HE1 TYR 38 2HE TYR 38 12.185 -8.661 -8.010 255 HE2 TYR 38 1HE TYR 38 8.747 -6.573 -6.587 256 HH TYR 38 HH TYR 38 8.884 -8.833 -6.810 257 H TYR 39 H TYR 39 11.413 -2.854 -4.902 258 HA TYR 39 HA TYR 39 11.011 -4.820 -2.743 259 HB2 TYR 39 1HB TYR 39 10.519 -1.837 -2.678 260 HB3 TYR 39 2HB TYR 39 10.020 -2.955 -1.413 261 HD1 TYR 39 1HD TYR 39 13.120 -2.106 -3.331 262 HD2 TYR 39 2HD TYR 39 11.396 -3.113 0.426 263 HE1 TYR 39 1HE TYR 39 15.323 -1.868 -2.263 264 HE2 TYR 39 2HE TYR 39 13.593 -2.878 1.504 265 HH TYR 39 HH TYR 39 16.505 -2.198 -0.388 266 H GLY 40 H GLY 40 9.157 -5.894 -2.856 267 HA2 GLY 40 1HA GLY 40 7.142 -5.088 -4.777 268 HA3 GLY 40 2HA GLY 40 7.158 -6.575 -3.840 269 H ILE 41 H ILE 41 4.905 -4.859 -4.296 270 HA ILE 41 HA ILE 41 4.306 -4.158 -1.503 271 HB ILE 41 HB ILE 41 3.383 -2.565 -3.896 272 HG12 ILE 41 1HG1 ILE 41 5.517 -2.000 -1.831 273 HG13 ILE 41 2HG1 ILE 41 5.734 -2.159 -3.571 274 HG21 ILE 41 1HG2 ILE 41 2.316 -1.115 -2.392 275 HG22 ILE 41 2HG2 ILE 41 1.901 -2.734 -1.829 276 HG23 ILE 41 3HG2 ILE 41 3.151 -1.806 -1.001 277 HD11 ILE 41 1HD1 ILE 41 4.063 -0.141 -3.639 278 HD12 ILE 41 2HD1 ILE 41 4.647 0.108 -1.993 279 HD13 ILE 41 3HD1 ILE 41 5.783 0.106 -3.341 280 H GLN 42 H GLN 42 2.375 -4.843 -0.750 281 HA GLN 42 HA GLN 42 0.421 -5.895 -2.675 282 HB2 GLN 42 1HB GLN 42 1.466 -7.303 -0.217 283 HB3 GLN 42 2HB GLN 42 0.015 -7.799 -1.078 284 HG2 GLN 42 1HG GLN 42 1.555 -9.193 -2.014 285 HG3 GLN 42 2HG GLN 42 1.622 -7.839 -3.141 286 HE21 GLN 42 1HE2 GLN 42 3.693 -9.590 -3.006 287 HE22 GLN 42 2HE2 GLN 42 5.070 -8.829 -2.292 288 H TYR 43 H TYR 43 -1.661 -5.435 -2.223 289 HA TYR 43 HA TYR 43 -2.435 -4.611 0.457 290 HB2 TYR 43 1HB TYR 43 -3.425 -2.497 -0.322 291 HB3 TYR 43 2HB TYR 43 -1.681 -2.518 -0.557 292 HD1 TYR 43 1HD TYR 43 -0.781 -2.989 -2.877 293 HD2 TYR 43 2HD TYR 43 -4.885 -2.142 -2.135 294 HE1 TYR 43 1HE TYR 43 -1.090 -2.432 -5.252 295 HE2 TYR 43 2HE TYR 43 -5.205 -1.584 -4.508 296 HH TYR 43 HH TYR 43 -2.542 -1.872 -6.839 297 H ARG 44 H ARG 44 -4.608 -4.870 0.882 298 HA ARG 44 HA ARG 44 -6.428 -5.543 -1.282 299 HB2 ARG 44 1HB ARG 44 -5.362 -7.691 -0.707 300 HB3 ARG 44 2HB ARG 44 -5.857 -7.482 0.967 301 HG2 ARG 44 1HG ARG 44 -7.531 -8.836 0.259 302 HG3 ARG 44 2HG ARG 44 -8.247 -7.275 -0.150 303 HD2 ARG 44 1HD ARG 44 -6.971 -7.673 -2.422 304 HD3 ARG 44 2HD ARG 44 -7.079 -9.361 -1.925 305 HE ARG 44 HE ARG 44 -9.349 -9.305 -2.304 306 HH11 ARG 44 2HH1 ARG 44 -8.052 -6.077 -2.414 307 HH12 ARG 44 1HH1 ARG 44 -9.503 -5.375 -3.048 308 HH21 ARG 44 2HH2 ARG 44 -11.266 -8.393 -3.138 309 HH22 ARG 44 1HH2 ARG 44 -11.331 -6.693 -3.459 310 H ALA 45 H ALA 45 -8.604 -5.325 -0.737 311 HA ALA 45 HA ALA 45 -9.346 -3.376 1.024 312 HB1 ALA 45 1HB ALA 45 -11.586 -4.010 0.682 313 HB2 ALA 45 2HB ALA 45 -10.737 -4.476 -0.793 314 HB3 ALA 45 3HB ALA 45 -11.151 -5.698 0.409 315 H ALA 46 H ALA 46 -9.030 -3.253 3.144 316 HA ALA 46 HA ALA 46 -8.334 -5.185 4.917 317 HB1 ALA 46 1HB ALA 46 -8.226 -3.290 6.086 318 HB2 ALA 46 2HB ALA 46 -9.488 -2.525 5.119 319 HB3 ALA 46 3HB ALA 46 -9.924 -3.562 6.478 320 H GLY 47 H GLY 47 -9.245 -6.945 5.758 321 HA2 GLY 47 1HA GLY 47 -11.136 -7.925 6.945 322 HA3 GLY 47 2HA GLY 47 -12.193 -7.100 5.808 323 H THR 48 H THR 48 -10.785 -7.728 3.433 324 HA THR 48 HA THR 48 -11.830 -10.343 2.950 325 HB THR 48 HB THR 48 -9.974 -9.018 1.016 326 HG1 THR 48 1HG THR 48 -12.050 -7.870 0.365 327 HG21 THR 48 1HG2 THR 48 -10.889 -11.061 0.253 328 HG22 THR 48 2HG2 THR 48 -11.825 -9.798 -0.546 329 HG23 THR 48 3HG2 THR 48 -12.498 -10.649 0.844 330 H GLU 49 H GLU 49 -10.842 -12.246 3.119 331 HA GLU 49 HA GLU 49 -7.957 -12.275 3.635 332 HB2 GLU 49 1HB GLU 49 -9.837 -14.601 3.984 333 HB3 GLU 49 2HB GLU 49 -8.261 -14.352 4.724 334 HG2 GLU 49 1HG GLU 49 -10.577 -12.537 5.293 335 HG3 GLU 49 2HG GLU 49 -10.323 -14.037 6.183 336 H GLY 50 H GLY 50 -8.886 -11.904 0.963 337 HA2 GLY 50 1HA GLY 50 -8.365 -14.500 -0.310 338 HA3 GLY 50 2HA GLY 50 -9.053 -13.090 -1.101 339 HA PRO 51 HA PRO 51 -4.633 -13.358 -2.396 340 HB2 PRO 51 1HB PRO 51 -5.125 -12.718 -4.989 341 HB3 PRO 51 2HB PRO 51 -5.233 -14.370 -4.370 342 HG2 PRO 51 1HG PRO 51 -7.420 -12.389 -4.873 343 HG3 PRO 51 2HG PRO 51 -7.374 -14.123 -5.242 344 HD2 PRO 51 1HD PRO 51 -8.667 -13.126 -3.082 345 HD3 PRO 51 2HD PRO 51 -7.895 -14.724 -3.079 346 H PHE 52 H PHE 52 -3.535 -11.606 -1.788 347 HA PHE 52 HA PHE 52 -4.636 -8.955 -2.089 348 HB2 PHE 52 1HB PHE 52 -2.161 -10.086 -0.822 349 HB3 PHE 52 2HB PHE 52 -2.304 -8.352 -1.095 350 HD1 PHE 52 2HD PHE 52 -5.042 -10.660 -0.175 351 HD2 PHE 52 1HD PHE 52 -2.405 -7.579 1.118 352 HE1 PHE 52 2HE PHE 52 -6.325 -10.442 1.913 353 HE2 PHE 52 1HE PHE 52 -3.684 -7.357 3.208 354 HZ PHE 52 HZ PHE 52 -5.648 -8.789 3.607 355 H GLN 53 H GLN 53 -3.830 -7.297 -3.357 356 HA GLN 53 HA GLN 53 -2.968 -7.876 -5.910 357 HB2 GLN 53 1HB GLN 53 -2.911 -5.396 -4.239 358 HB3 GLN 53 2HB GLN 53 -2.101 -5.393 -5.800 359 HG2 GLN 53 1HG GLN 53 -4.994 -6.099 -5.372 360 HG3 GLN 53 2HG GLN 53 -4.404 -4.518 -5.880 361 HE21 GLN 53 1HE2 GLN 53 -5.426 -7.554 -6.882 362 HE22 GLN 53 2HE2 GLN 53 -4.975 -7.441 -8.546 363 H GLU 54 H GLU 54 -0.889 -7.031 -6.926 364 HA GLU 54 HA GLU 54 1.457 -7.330 -5.222 365 HB2 GLU 54 1HB GLU 54 0.744 -9.604 -6.167 366 HB3 GLU 54 2HB GLU 54 1.235 -8.976 -7.734 367 HG2 GLU 54 1HG GLU 54 3.486 -8.777 -7.059 368 HG3 GLU 54 2HG GLU 54 3.075 -9.025 -5.363 369 H VAL 55 H VAL 55 2.678 -5.628 -5.659 370 HA VAL 55 HA VAL 55 2.816 -4.668 -8.444 371 HB VAL 55 HB VAL 55 3.206 -2.998 -5.958 372 HG11 VAL 55 1HG1 VAL 55 2.788 -1.176 -7.772 373 HG12 VAL 55 2HG1 VAL 55 4.386 -1.909 -7.618 374 HG13 VAL 55 3HG1 VAL 55 3.289 -2.442 -8.893 375 HG21 VAL 55 1HG2 VAL 55 0.792 -3.616 -7.579 376 HG22 VAL 55 2HG2 VAL 55 0.947 -3.328 -5.846 377 HG23 VAL 55 3HG2 VAL 55 0.990 -1.972 -6.973 378 H ASP 56 H ASP 56 4.734 -4.881 -9.373 379 HA ASP 56 HA ASP 56 7.127 -4.990 -7.655 380 HB2 ASP 56 1HB ASP 56 8.141 -6.471 -9.350 381 HB3 ASP 56 2HB ASP 56 6.680 -7.168 -8.656 382 H GLY 57 H GLY 57 8.868 -3.756 -8.197 383 HA2 GLY 57 1HA GLY 57 10.123 -2.651 -10.029 384 HA3 GLY 57 2HA GLY 57 8.569 -2.063 -10.602 385 H VAL 58 H VAL 58 9.662 -2.187 -7.248 386 HA VAL 58 HA VAL 58 9.491 0.755 -7.180 387 HB VAL 58 HB VAL 58 9.159 -1.107 -4.828 388 HG11 VAL 58 1HG1 VAL 58 7.832 1.354 -4.479 389 HG12 VAL 58 2HG1 VAL 58 9.262 0.760 -3.632 390 HG13 VAL 58 3HG1 VAL 58 9.441 1.725 -5.099 391 HG21 VAL 58 1HG2 VAL 58 6.802 0.300 -5.891 392 HG22 VAL 58 2HG2 VAL 58 7.412 -1.020 -6.889 393 HG23 VAL 58 3HG2 VAL 58 6.947 -1.323 -5.215 394 H ALA 59 H ALA 59 11.649 1.161 -7.676 395 HA ALA 59 HA ALA 59 13.712 0.003 -5.968 396 HB1 ALA 59 1HB ALA 59 14.551 2.002 -7.931 397 HB2 ALA 59 2HB ALA 59 15.143 0.363 -7.653 398 HB3 ALA 59 3HB ALA 59 13.696 0.625 -8.627 399 H THR 60 H THR 60 11.747 1.908 -4.906 400 HA THR 60 HA THR 60 13.648 3.926 -3.925 401 HB THR 60 HB THR 60 11.575 5.472 -3.761 402 HG1 THR 60 1HG THR 60 10.118 3.752 -4.467 403 HG21 THR 60 1HG2 THR 60 13.221 6.260 -5.172 404 HG22 THR 60 2HG2 THR 60 11.891 6.025 -6.306 405 HG23 THR 60 3HG2 THR 60 13.178 4.825 -6.196 406 H THR 61 H THR 61 12.874 4.963 -1.874 407 HA THR 61 HA THR 61 11.865 2.880 -0.103 408 HB THR 61 HB THR 61 12.429 4.727 1.661 409 HG1 THR 61 1HG THR 61 14.009 6.182 0.906 410 HG21 THR 61 1HG2 THR 61 13.705 2.727 1.589 411 HG22 THR 61 2HG2 THR 61 14.867 4.052 1.532 412 HG23 THR 61 3HG2 THR 61 14.455 3.177 0.058 413 H ARG 62 H ARG 62 10.306 4.845 -1.994 414 HA ARG 62 HA ARG 62 8.052 5.106 -0.203 415 HB2 ARG 62 1HB ARG 62 8.968 7.198 0.339 416 HB3 ARG 62 2HB ARG 62 9.513 7.488 -1.308 417 HG2 ARG 62 1HG ARG 62 7.228 7.818 -2.038 418 HG3 ARG 62 2HG ARG 62 6.637 7.444 -0.418 419 HD2 ARG 62 1HD ARG 62 6.633 9.764 -0.449 420 HD3 ARG 62 2HD ARG 62 8.164 9.383 0.337 421 HE ARG 62 HE ARG 62 7.789 10.577 -2.275 422 HH11 ARG 62 2HH1 ARG 62 9.971 9.000 -0.067 423 HH12 ARG 62 1HH1 ARG 62 11.398 9.601 -0.842 424 HH21 ARG 62 2HH2 ARG 62 9.662 11.375 -3.305 425 HH22 ARG 62 1HH2 ARG 62 11.221 10.954 -2.683 426 H TYR 63 H TYR 63 6.230 4.686 -1.277 427 HA TYR 63 HA TYR 63 5.988 5.367 -4.097 428 HB2 TYR 63 1HB TYR 63 6.922 3.155 -4.254 429 HB3 TYR 63 2HB TYR 63 5.795 2.537 -3.052 430 HD1 TYR 63 1HD TYR 63 6.069 3.826 -6.508 431 HD2 TYR 63 2HD TYR 63 3.623 1.809 -3.670 432 HE1 TYR 63 1HE TYR 63 4.505 3.209 -8.303 433 HE2 TYR 63 2HE TYR 63 2.053 1.185 -5.458 434 HH TYR 63 HH TYR 63 1.622 2.482 -8.061 435 H SER 64 H SER 64 3.831 5.393 -4.856 436 HA SER 64 HA SER 64 1.829 5.424 -2.696 437 HB2 SER 64 1HB SER 64 0.600 7.074 -4.041 438 HB3 SER 64 2HB SER 64 2.237 7.633 -3.699 439 HG SER 64 HG SER 64 2.653 6.526 -5.872 440 H ILE 65 H ILE 65 -0.129 4.418 -2.983 441 HA ILE 65 HA ILE 65 -0.283 2.597 -5.286 442 HB ILE 65 HB ILE 65 -1.636 2.407 -2.593 443 HG12 ILE 65 1HG1 ILE 65 -0.143 0.199 -2.733 444 HG13 ILE 65 2HG1 ILE 65 0.832 1.230 -3.775 445 HG21 ILE 65 1HG2 ILE 65 -1.852 0.758 -5.083 446 HG22 ILE 65 2HG2 ILE 65 -2.135 0.043 -3.496 447 HG23 ILE 65 3HG2 ILE 65 -3.134 1.388 -4.048 448 HD11 ILE 65 1HD1 ILE 65 -0.018 2.069 -1.024 449 HD12 ILE 65 2HD1 ILE 65 1.462 1.160 -1.333 450 HD13 ILE 65 3HD1 ILE 65 1.245 2.761 -2.042 451 H GLY 66 H GLY 66 -2.073 2.518 -6.580 452 HA2 GLY 66 1HA GLY 66 -4.246 4.419 -5.964 453 HA3 GLY 66 2HA GLY 66 -3.516 4.362 -7.561 454 H GLY 67 H GLY 67 -6.149 4.065 -7.523 455 HA2 GLY 67 1HA GLY 67 -7.620 2.624 -8.630 456 HA3 GLY 67 2HA GLY 67 -6.476 1.312 -8.394 457 H LEU 68 H LEU 68 -7.508 3.350 -5.757 458 HA LEU 68 HA LEU 68 -8.920 1.038 -4.611 459 HB2 LEU 68 1HB LEU 68 -7.826 3.412 -3.121 460 HB3 LEU 68 2HB LEU 68 -8.401 1.889 -2.446 461 HG LEU 68 HG LEU 68 -5.939 2.159 -4.166 462 HD11 LEU 68 1HD1 LEU 68 -6.366 2.458 -1.247 463 HD12 LEU 68 2HD1 LEU 68 -5.196 3.240 -2.309 464 HD13 LEU 68 3HD1 LEU 68 -4.936 1.576 -1.785 465 HD21 LEU 68 1HD2 LEU 68 -7.300 -0.088 -2.759 466 HD22 LEU 68 2HD2 LEU 68 -5.540 -0.092 -2.878 467 HD23 LEU 68 3HD2 LEU 68 -6.524 -0.052 -4.342 468 H SER 69 H SER 69 -10.595 1.801 -2.889 469 HA SER 69 HA SER 69 -12.403 3.636 -4.277 470 HB2 SER 69 1HB SER 69 -13.072 1.265 -3.521 471 HB3 SER 69 2HB SER 69 -13.120 1.939 -1.892 472 HG SER 69 HG SER 69 -15.150 2.182 -2.678 473 HA PRO 70 HA PRO 70 -11.769 6.869 -1.357 474 HB2 PRO 70 1HB PRO 70 -14.097 8.220 -1.716 475 HB3 PRO 70 2HB PRO 70 -12.779 8.246 -2.894 476 HG2 PRO 70 1HG PRO 70 -15.292 6.618 -2.897 477 HG3 PRO 70 2HG PRO 70 -14.512 7.474 -4.240 478 HD2 PRO 70 1HD PRO 70 -14.260 4.803 -3.872 479 HD3 PRO 70 2HD PRO 70 -12.969 5.796 -4.579 480 H PHE 71 H PHE 71 -11.992 6.920 0.786 481 HA PHE 71 HA PHE 71 -12.906 6.790 2.874 482 HB2 PHE 71 1HB PHE 71 -14.967 7.733 1.586 483 HB3 PHE 71 2HB PHE 71 -15.590 6.092 1.727 484 HD1 PHE 71 2HD PHE 71 -13.717 8.308 4.072 485 HD2 PHE 71 1HD PHE 71 -17.228 6.020 3.330 486 HE1 PHE 71 2HE PHE 71 -14.522 8.814 6.341 487 HE2 PHE 71 1HE PHE 71 -18.039 6.523 5.597 488 HZ PHE 71 HZ PHE 71 -16.685 7.921 7.107 489 H SER 72 H SER 72 -11.732 4.554 1.552 490 HA SER 72 HA SER 72 -13.208 2.341 2.823 491 HB2 SER 72 1HB SER 72 -12.296 0.837 1.140 492 HB3 SER 72 2HB SER 72 -13.127 2.173 0.343 493 HG SER 72 HG SER 72 -10.943 3.158 0.254 494 H GLU 73 H GLU 73 -11.612 0.415 3.208 495 HA GLU 73 HA GLU 73 -9.148 1.495 4.409 496 HB2 GLU 73 1HB GLU 73 -11.122 0.734 5.953 497 HB3 GLU 73 2HB GLU 73 -10.553 -0.884 5.566 498 HG2 GLU 73 1HG GLU 73 -8.535 -0.579 6.651 499 HG3 GLU 73 2HG GLU 73 -8.642 1.179 6.570 500 H TYR 74 H TYR 74 -7.287 0.363 4.114 501 HA TYR 74 HA TYR 74 -7.383 -2.306 2.953 502 HB2 TYR 74 1HB TYR 74 -6.297 0.118 1.547 503 HB3 TYR 74 2HB TYR 74 -5.636 -1.481 1.220 504 HD1 TYR 74 1HD TYR 74 -8.743 0.536 1.115 505 HD2 TYR 74 2HD TYR 74 -6.765 -2.994 -0.199 506 HE1 TYR 74 1HE TYR 74 -10.562 0.121 -0.487 507 HE2 TYR 74 2HE TYR 74 -8.578 -3.418 -1.806 508 HH TYR 74 HH TYR 74 -10.501 -2.704 -2.644 509 H ALA 75 H ALA 75 -5.425 -3.464 3.140 510 HA ALA 75 HA ALA 75 -3.604 -2.343 5.155 511 HB1 ALA 75 1HB ALA 75 -4.417 -5.139 4.461 512 HB2 ALA 75 2HB ALA 75 -2.917 -4.829 5.336 513 HB3 ALA 75 3HB ALA 75 -4.459 -4.317 6.021 514 H PHE 76 H PHE 76 -1.771 -1.542 4.385 515 HA PHE 76 HA PHE 76 -0.686 -2.567 1.871 516 HB2 PHE 76 1HB PHE 76 0.101 -0.139 3.498 517 HB3 PHE 76 2HB PHE 76 0.767 -0.575 1.928 518 HD1 PHE 76 1HD PHE 76 -0.647 -0.462 -0.090 519 HD2 PHE 76 2HD PHE 76 -2.008 0.930 3.695 520 HE1 PHE 76 1HE PHE 76 -2.442 0.800 -1.203 521 HE2 PHE 76 2HE PHE 76 -3.805 2.194 2.588 522 HZ PHE 76 HZ PHE 76 -4.025 2.129 0.136 523 H ARG 77 H ARG 77 1.510 -3.184 1.663 524 HA ARG 77 HA ARG 77 3.202 -3.450 3.959 525 HB2 ARG 77 1HB ARG 77 3.272 -5.844 4.102 526 HB3 ARG 77 2HB ARG 77 1.594 -5.340 4.260 527 HG2 ARG 77 1HG ARG 77 1.366 -5.824 1.782 528 HG3 ARG 77 2HG ARG 77 2.935 -6.622 1.902 529 HD2 ARG 77 1HD ARG 77 1.127 -8.236 2.121 530 HD3 ARG 77 2HD ARG 77 2.040 -8.113 3.624 531 HE ARG 77 HE ARG 77 -0.117 -6.352 3.785 532 HH11 ARG 77 2HH1 ARG 77 0.475 -9.778 3.599 533 HH12 ARG 77 1HH1 ARG 77 -0.956 -10.205 4.477 534 HH21 ARG 77 2HH2 ARG 77 -2.004 -6.901 4.942 535 HH22 ARG 77 1HH2 ARG 77 -2.366 -8.568 5.240 536 H VAL 78 H VAL 78 5.256 -3.373 3.308 537 HA VAL 78 HA VAL 78 5.828 -3.962 0.478 538 HB VAL 78 HB VAL 78 7.393 -2.143 2.312 539 HG11 VAL 78 1HG1 VAL 78 8.079 -1.360 -0.132 540 HG12 VAL 78 2HG1 VAL 78 8.922 -2.664 0.707 541 HG13 VAL 78 3HG1 VAL 78 7.692 -3.040 -0.500 542 HG21 VAL 78 1HG2 VAL 78 6.362 -0.430 0.585 543 HG22 VAL 78 2HG2 VAL 78 5.082 -1.640 0.509 544 HG23 VAL 78 3HG2 VAL 78 5.497 -0.892 2.051 545 H LEU 79 H LEU 79 7.867 -4.926 -0.039 546 HA LEU 79 HA LEU 79 9.399 -6.114 2.125 547 HB2 LEU 79 1HB LEU 79 9.230 -8.377 1.026 548 HB3 LEU 79 2HB LEU 79 7.802 -7.822 1.897 549 HG LEU 79 HG LEU 79 7.983 -7.417 -1.059 550 HD11 LEU 79 1HD1 LEU 79 6.941 -9.946 0.191 551 HD12 LEU 79 2HD1 LEU 79 8.555 -9.809 -0.504 552 HD13 LEU 79 3HD1 LEU 79 7.134 -9.575 -1.522 553 HD21 LEU 79 1HD2 LEU 79 5.900 -6.712 -0.775 554 HD22 LEU 79 2HD2 LEU 79 6.074 -6.944 0.965 555 HD23 LEU 79 3HD2 LEU 79 5.450 -8.252 -0.042 556 H ALA 80 H ALA 80 11.457 -6.862 1.486 557 HA ALA 80 HA ALA 80 12.476 -5.546 -0.878 558 HB1 ALA 80 1HB ALA 80 13.547 -6.442 1.625 559 HB2 ALA 80 2HB ALA 80 14.519 -7.072 0.295 560 HB3 ALA 80 3HB ALA 80 14.247 -5.336 0.443 561 H VAL 81 H VAL 81 13.647 -6.577 -2.553 562 HA VAL 81 HA VAL 81 13.453 -9.478 -2.766 563 HB VAL 81 HB VAL 81 12.402 -7.740 -4.994 564 HG11 VAL 81 1HG1 VAL 81 11.398 -10.392 -5.016 565 HG12 VAL 81 2HG1 VAL 81 12.470 -9.613 -6.182 566 HG13 VAL 81 3HG1 VAL 81 13.146 -10.476 -4.799 567 HG21 VAL 81 1HG2 VAL 81 10.943 -7.508 -3.046 568 HG22 VAL 81 2HG2 VAL 81 10.154 -8.427 -4.328 569 HG23 VAL 81 3HG2 VAL 81 10.819 -9.263 -2.925 570 H ASN 82 H ASN 82 15.303 -10.257 -3.524 571 HA ASN 82 HA ASN 82 16.839 -8.688 -5.464 572 HB2 ASN 82 1HB ASN 82 18.798 -8.659 -4.245 573 HB3 ASN 82 2HB ASN 82 17.615 -8.493 -2.950 574 HD21 ASN 82 1HD2 ASN 82 17.240 -10.211 -1.566 575 HD22 ASN 82 2HD2 ASN 82 18.307 -11.566 -1.467 576 H SER 83 H SER 83 18.925 -10.183 -5.992 577 HA SER 83 HA SER 83 18.208 -12.147 -7.667 578 HB2 SER 83 1HB SER 83 20.654 -12.009 -5.907 579 HB3 SER 83 2HB SER 83 20.455 -13.256 -7.138 580 HG SER 83 HG SER 83 19.965 -11.233 -8.506 581 H ILE 84 H ILE 84 18.628 -12.537 -4.184 582 HA ILE 84 HA ILE 84 18.297 -15.332 -4.086 583 HB ILE 84 HB ILE 84 17.563 -13.335 -1.942 584 HG12 ILE 84 1HG1 ILE 84 19.898 -13.091 -2.789 585 HG13 ILE 84 2HG1 ILE 84 19.815 -13.590 -1.104 586 HG21 ILE 84 1HG2 ILE 84 17.660 -16.264 -2.070 587 HG22 ILE 84 2HG2 ILE 84 18.473 -15.556 -0.675 588 HG23 ILE 84 3HG2 ILE 84 16.772 -15.202 -0.978 589 HD11 ILE 84 1HD1 ILE 84 20.467 -15.295 -3.489 590 HD12 ILE 84 2HD1 ILE 84 21.527 -14.851 -2.151 591 HD13 ILE 84 3HD1 ILE 84 20.167 -15.939 -1.876 592 H GLY 85 H GLY 85 15.947 -12.710 -3.502 593 HA2 GLY 85 1HA GLY 85 13.795 -13.499 -4.851 594 HA3 GLY 85 2HA GLY 85 13.765 -14.643 -3.517 595 H ARG 86 H ARG 86 11.600 -13.472 -3.345 596 HA ARG 86 HA ARG 86 11.726 -10.851 -2.116 597 HB2 ARG 86 1HB ARG 86 9.197 -11.270 -1.884 598 HB3 ARG 86 2HB ARG 86 9.857 -11.080 -3.503 599 HG2 ARG 86 1HG ARG 86 9.565 -13.300 -4.031 600 HG3 ARG 86 2HG ARG 86 9.586 -13.812 -2.343 601 HD2 ARG 86 1HD ARG 86 7.400 -12.651 -2.040 602 HD3 ARG 86 2HD ARG 86 7.377 -12.346 -3.776 603 HE ARG 86 HE ARG 86 7.728 -15.047 -3.550 604 HH11 ARG 86 2HH1 ARG 86 5.371 -12.755 -2.406 605 HH12 ARG 86 1HH1 ARG 86 4.066 -13.894 -2.418 606 HH21 ARG 86 2HH2 ARG 86 6.018 -16.556 -3.571 607 HH22 ARG 86 1HH2 ARG 86 4.435 -16.056 -3.080 608 H GLY 87 H GLY 87 12.137 -10.596 -0.027 609 HA2 GLY 87 1HA GLY 87 12.108 -12.773 1.818 610 HA3 GLY 87 2HA GLY 87 12.411 -11.086 2.206 611 HA PRO 88 HA PRO 88 8.328 -12.368 4.040 612 HB2 PRO 88 1HB PRO 88 8.872 -11.441 6.533 613 HB3 PRO 88 2HB PRO 88 9.305 -13.069 5.998 614 HG2 PRO 88 1HG PRO 88 11.013 -10.616 6.176 615 HG3 PRO 88 2HG PRO 88 11.397 -12.284 6.643 616 HD2 PRO 88 1HD PRO 88 12.244 -11.190 4.315 617 HD3 PRO 88 2HD PRO 88 11.861 -12.916 4.475 618 HA PRO 89 HA PRO 89 6.671 -8.310 3.519 619 HB2 PRO 89 1HB PRO 89 4.271 -8.675 4.734 620 HB3 PRO 89 2HB PRO 89 4.655 -9.346 3.144 621 HG2 PRO 89 1HG PRO 89 4.694 -10.680 5.824 622 HG3 PRO 89 2HG PRO 89 4.077 -11.292 4.278 623 HD2 PRO 89 1HD PRO 89 6.492 -12.011 5.270 624 HD3 PRO 89 2HD PRO 89 6.177 -11.878 3.528 625 H SER 90 H SER 90 6.760 -6.426 4.603 626 HA SER 90 HA SER 90 7.658 -6.382 7.302 627 HB2 SER 90 1HB SER 90 8.401 -4.665 5.765 628 HB3 SER 90 2HB SER 90 6.739 -4.154 5.470 629 HG SER 90 HG SER 90 6.700 -3.140 7.344 630 H GLU 91 H GLU 91 6.599 -5.004 8.990 631 HA GLU 91 HA GLU 91 4.209 -6.031 9.831 632 HB2 GLU 91 1HB GLU 91 3.997 -3.921 11.221 633 HB3 GLU 91 2HB GLU 91 5.505 -4.809 11.390 634 HG2 GLU 91 1HG GLU 91 6.398 -3.188 9.595 635 HG3 GLU 91 2HG GLU 91 4.998 -2.204 10.017 636 H ALA 92 H ALA 92 2.590 -6.172 8.332 637 HA ALA 92 HA ALA 92 1.747 -4.348 6.475 638 HB1 ALA 92 1HB ALA 92 0.356 -6.485 8.006 639 HB2 ALA 92 2HB ALA 92 -0.615 -5.377 7.035 640 HB3 ALA 92 3HB ALA 92 0.649 -6.341 6.272 641 H VAL 93 H VAL 93 0.705 -2.448 6.467 642 HA VAL 93 HA VAL 93 -0.354 -1.454 9.034 643 HB VAL 93 HB VAL 93 0.261 0.784 8.402 644 HG11 VAL 93 1HG1 VAL 93 1.994 -1.005 9.263 645 HG12 VAL 93 2HG1 VAL 93 2.743 -0.698 7.695 646 HG13 VAL 93 3HG1 VAL 93 2.503 0.628 8.833 647 HG21 VAL 93 1HG2 VAL 93 1.180 -0.446 5.808 648 HG22 VAL 93 2HG2 VAL 93 -0.126 0.718 6.033 649 HG23 VAL 93 3HG2 VAL 93 1.547 1.204 6.311 650 H ARG 94 H ARG 94 -2.415 -0.802 9.086 651 HA ARG 94 HA ARG 94 -3.949 -0.910 6.604 652 HB2 ARG 94 1HB ARG 94 -4.620 -1.102 9.510 653 HB3 ARG 94 2HB ARG 94 -5.870 -0.589 8.384 654 HG2 ARG 94 1HG ARG 94 -5.373 -2.676 7.063 655 HG3 ARG 94 2HG ARG 94 -4.380 -3.196 8.426 656 HD2 ARG 94 1HD ARG 94 -6.473 -2.742 9.850 657 HD3 ARG 94 2HD ARG 94 -7.343 -2.741 8.317 658 HE ARG 94 HE ARG 94 -5.734 -5.057 8.537 659 HH11 ARG 94 2HH1 ARG 94 -8.668 -3.633 9.755 660 HH12 ARG 94 1HH1 ARG 94 -9.427 -5.156 10.080 661 HH21 ARG 94 2HH2 ARG 94 -6.723 -7.069 8.960 662 HH22 ARG 94 1HH2 ARG 94 -8.319 -7.110 9.628 663 H ALA 95 H ALA 95 -4.505 0.873 5.554 664 HA ALA 95 HA ALA 95 -4.789 3.382 7.065 665 HB1 ALA 95 1HB ALA 95 -2.612 3.219 5.789 666 HB2 ALA 95 2HB ALA 95 -3.580 3.264 4.315 667 HB3 ALA 95 3HB ALA 95 -3.617 4.625 5.435 668 H ARG 96 H ARG 96 -6.640 4.429 6.702 669 HA ARG 96 HA ARG 96 -8.446 3.392 4.666 670 HB2 ARG 96 1HB ARG 96 -9.029 3.928 7.151 671 HB3 ARG 96 2HB ARG 96 -9.139 5.590 6.586 672 HG2 ARG 96 1HG ARG 96 -10.815 4.875 4.919 673 HG3 ARG 96 2HG ARG 96 -10.747 3.246 5.596 674 HD2 ARG 96 1HD ARG 96 -11.218 4.558 7.845 675 HD3 ARG 96 2HD ARG 96 -11.910 5.735 6.731 676 HE ARG 96 HE ARG 96 -13.084 3.480 5.917 677 HH11 ARG 96 2HH1 ARG 96 -12.628 4.810 9.102 678 HH12 ARG 96 1HH1 ARG 96 -14.074 4.104 9.745 679 HH21 ARG 96 2HH2 ARG 96 -14.990 2.546 6.752 680 HH22 ARG 96 1HH2 ARG 96 -15.416 2.816 8.408 681 H THR 97 H THR 97 -8.725 4.340 2.764 682 HA THR 97 HA THR 97 -7.329 6.672 2.001 683 HB THR 97 HB THR 97 -8.554 6.530 -0.112 684 HG1 THR 97 1HG THR 97 -10.439 5.571 -0.205 685 HG21 THR 97 1HG2 THR 97 -8.185 3.862 -0.340 686 HG22 THR 97 2HG2 THR 97 -7.254 4.188 1.123 687 HG23 THR 97 3HG2 THR 97 -6.873 5.039 -0.374 688 H GLY 98 H GLY 98 -8.219 8.692 1.238 689 HA2 GLY 98 1HA GLY 98 -10.059 9.828 3.092 690 HA3 GLY 98 2HA GLY 98 -9.376 10.631 1.686 691 H GLU 99 H GLU 99 -11.936 11.184 2.336 692 HA GLU 99 HA GLU 99 -13.597 9.545 0.553 693 HB2 GLU 99 1HB GLU 99 -15.517 10.556 1.643 694 HB3 GLU 99 2HB GLU 99 -14.429 9.886 2.850 695 HG2 GLU 99 1HG GLU 99 -14.936 11.894 3.803 696 HG3 GLU 99 2HG GLU 99 -13.477 12.319 2.909 697 H GLN 100 H GLN 100 -14.441 10.339 -1.289 698 HA GLN 100 HA GLN 100 -14.606 13.170 -1.795 699 HB2 GLN 100 1HB GLN 100 -12.188 12.376 -2.298 700 HB3 GLN 100 2HB GLN 100 -12.901 11.610 -3.711 701 HG2 GLN 100 1HG GLN 100 -13.534 13.659 -4.645 702 HG3 GLN 100 2HG GLN 100 -13.308 14.519 -3.123 703 HE21 GLN 100 1HE2 GLN 100 -12.193 15.186 -5.672 704 HE22 GLN 100 2HE2 GLN 100 -10.475 15.119 -5.510 705 H SER 101 H SER 101 -16.522 13.380 -2.723 706 HA SER 101 HA SER 101 -18.491 12.726 -3.740 707 HB2 SER 101 1HB SER 101 -18.211 12.579 -6.177 708 HB3 SER 101 2HB SER 101 -17.198 13.856 -5.505 709 HG SER 101 HG SER 101 -16.273 12.230 -7.088 710 H GLY 102 H GLY 102 -17.635 10.606 -2.213 711 HA2 GLY 102 1HA GLY 102 -17.143 8.167 -3.353 712 HA3 GLY 102 2HA GLY 102 -18.164 8.382 -1.939 713 HA PRO 103 HA PRO 103 -20.539 7.184 -5.970 714 HB2 PRO 103 1HB PRO 103 -20.268 4.483 -6.006 715 HB3 PRO 103 2HB PRO 103 -19.178 5.569 -6.875 716 HG2 PRO 103 1HG PRO 103 -18.797 4.222 -4.229 717 HG3 PRO 103 2HG PRO 103 -17.642 4.420 -5.560 718 HD2 PRO 103 1HD PRO 103 -17.613 5.997 -3.358 719 HD3 PRO 103 2HD PRO 103 -17.133 6.588 -4.962 720 H SER 104 H SER 104 -22.629 6.299 -5.925 721 HA SER 104 HA SER 104 -23.555 4.747 -3.697 722 HB2 SER 104 1HB SER 104 -23.448 7.054 -2.731 723 HB3 SER 104 2HB SER 104 -24.607 7.573 -3.954 724 HG SER 104 HG SER 104 -24.979 5.967 -1.706 725 H SER 105 H SER 105 -25.184 3.509 -4.364 726 HA SER 105 HA SER 105 -26.490 4.193 -6.898 727 HB2 SER 105 1HB SER 105 -25.318 1.964 -6.590 728 HB3 SER 105 2HB SER 105 -26.598 1.541 -5.453 729 HG SER 105 HG SER 105 -27.990 1.366 -7.057 730 H GLY 106 H GLY 106 -28.458 5.038 -6.847 731 HA2 GLY 106 1HA GLY 106 -30.728 4.090 -5.753 732 HA3 GLY 106 2HA GLY 106 -30.019 4.968 -4.406 Start of MODEL 9 1 H1 GLY 1 H GLY 1 10.781 -23.343 17.569 2 HA2 GLY 1 1HA GLY 1 11.296 -24.501 15.328 3 HA3 GLY 1 2HA GLY 1 9.619 -24.113 14.975 4 H SER 2 H SER 2 12.805 -22.765 15.596 5 HA SER 2 HA SER 2 11.905 -20.122 14.735 6 HB2 SER 2 1HB SER 2 14.538 -21.083 15.874 7 HB3 SER 2 2HB SER 2 14.232 -19.422 15.365 8 HG SER 2 HG SER 2 13.192 -20.844 17.544 9 H SER 3 H SER 3 11.527 -20.669 12.533 10 HA SER 3 HA SER 3 13.929 -21.284 10.957 11 HB2 SER 3 1HB SER 3 10.999 -21.704 10.506 12 HB3 SER 3 2HB SER 3 12.066 -21.546 9.110 13 HG SER 3 HG SER 3 11.685 -23.739 10.043 14 H GLY 4 H GLY 4 14.946 -19.575 10.154 15 HA2 GLY 4 1HA GLY 4 13.504 -17.594 8.637 16 HA3 GLY 4 2HA GLY 4 14.184 -16.964 10.129 17 H SER 5 H SER 5 15.651 -15.600 9.151 18 HA SER 5 HA SER 5 17.570 -14.948 8.112 19 HB2 SER 5 1HB SER 5 18.411 -16.575 9.897 20 HB3 SER 5 2HB SER 5 18.574 -17.753 8.594 21 HG SER 5 HG SER 5 20.435 -16.255 9.214 22 H SER 6 H SER 6 15.747 -15.450 6.267 23 HA SER 6 HA SER 6 17.232 -16.879 4.165 24 HB2 SER 6 1HB SER 6 14.262 -16.933 4.713 25 HB3 SER 6 2HB SER 6 14.964 -17.453 3.182 26 HG SER 6 HG SER 6 16.056 -18.523 5.507 27 H GLY 7 H GLY 7 17.810 -15.565 2.575 28 HA2 GLY 7 1HA GLY 7 17.799 -13.833 1.067 29 HA3 GLY 7 2HA GLY 7 16.053 -13.795 1.262 30 HA PRO 8 HA PRO 8 17.652 -9.774 2.836 31 HB2 PRO 8 1HB PRO 8 15.617 -8.310 1.794 32 HB3 PRO 8 2HB PRO 8 17.061 -8.742 0.870 33 HG2 PRO 8 1HG PRO 8 14.354 -10.020 0.861 34 HG3 PRO 8 2HG PRO 8 15.416 -9.638 -0.507 35 HD2 PRO 8 1HD PRO 8 15.217 -12.131 0.531 36 HD3 PRO 8 2HD PRO 8 16.721 -11.510 -0.179 37 H LYS 9 H LYS 9 16.374 -8.073 4.095 38 HA LYS 9 HA LYS 9 14.498 -9.473 5.870 39 HB2 LYS 9 1HB LYS 9 16.462 -7.254 6.268 40 HB3 LYS 9 2HB LYS 9 15.058 -7.344 7.322 41 HG2 LYS 9 1HG LYS 9 15.794 -9.816 7.648 42 HG3 LYS 9 2HG LYS 9 17.353 -9.231 7.062 43 HD2 LYS 9 1HD LYS 9 15.919 -7.785 9.258 44 HD3 LYS 9 2HD LYS 9 16.868 -9.231 9.613 45 HE2 LYS 9 1HE LYS 9 18.678 -7.953 8.168 46 HE3 LYS 9 2HE LYS 9 17.754 -6.545 8.690 47 HZ1 LYS 9 1HZ LYS 9 18.038 -7.354 11.002 48 HZ2 LYS 9 2HZ LYS 9 19.491 -6.924 10.252 49 HZ3 LYS 9 3HZ LYS 9 19.080 -8.556 10.424 50 HA PRO 10 HA PRO 10 11.100 -6.926 4.765 51 HB2 PRO 10 1HB PRO 10 9.856 -6.576 7.153 52 HB3 PRO 10 2HB PRO 10 9.848 -8.114 6.282 53 HG2 PRO 10 1HG PRO 10 11.563 -7.245 8.576 54 HG3 PRO 10 2HG PRO 10 10.756 -8.801 8.310 55 HD2 PRO 10 1HD PRO 10 13.391 -8.424 7.815 56 HD3 PRO 10 2HD PRO 10 12.393 -9.547 6.869 57 HA PRO 11 HA PRO 11 12.242 -2.706 5.388 58 HB2 PRO 11 1HB PRO 11 9.943 -1.527 4.554 59 HB3 PRO 11 2HB PRO 11 11.100 -2.270 3.442 60 HG2 PRO 11 1HG PRO 11 8.545 -3.380 4.538 61 HG3 PRO 11 2HG PRO 11 9.181 -3.459 2.885 62 HD2 PRO 11 1HD PRO 11 9.371 -5.529 4.620 63 HD3 PRO 11 2HD PRO 11 10.600 -5.206 3.380 64 H ILE 12 H ILE 12 11.851 -0.933 6.754 65 HA ILE 12 HA ILE 12 9.850 -1.408 8.867 66 HB ILE 12 HB ILE 12 11.362 -0.288 10.449 67 HG12 ILE 12 1HG1 ILE 12 13.359 -0.370 8.176 68 HG13 ILE 12 2HG1 ILE 12 12.596 1.084 8.811 69 HG21 ILE 12 1HG2 ILE 12 11.806 -2.853 9.200 70 HG22 ILE 12 2HG2 ILE 12 13.297 -2.202 9.879 71 HG23 ILE 12 3HG2 ILE 12 11.876 -2.403 10.904 72 HD11 ILE 12 1HD1 ILE 12 13.637 0.304 11.065 73 HD12 ILE 12 2HD1 ILE 12 14.707 -0.631 10.019 74 HD13 ILE 12 3HD1 ILE 12 14.631 1.124 9.860 75 H ASP 13 H ASP 13 9.803 0.849 10.225 76 HA ASP 13 HA ASP 13 8.857 2.920 10.249 77 HB2 ASP 13 1HB ASP 13 11.269 3.247 9.217 78 HB3 ASP 13 2HB ASP 13 10.353 3.671 7.774 79 H LEU 14 H LEU 14 7.487 0.864 8.754 80 HA LEU 14 HA LEU 14 6.469 1.939 6.323 81 HB2 LEU 14 1HB LEU 14 6.484 -0.508 7.286 82 HB3 LEU 14 2HB LEU 14 4.924 -0.024 7.948 83 HG LEU 14 HG LEU 14 4.116 0.444 5.679 84 HD11 LEU 14 1HD1 LEU 14 6.944 -0.124 5.017 85 HD12 LEU 14 2HD1 LEU 14 5.808 1.005 4.280 86 HD13 LEU 14 3HD1 LEU 14 5.719 -0.713 3.893 87 HD21 LEU 14 1HD2 LEU 14 4.707 -2.123 4.917 88 HD22 LEU 14 2HD2 LEU 14 3.395 -1.647 5.997 89 HD23 LEU 14 3HD2 LEU 14 4.940 -2.175 6.665 90 H VAL 15 H VAL 15 5.565 3.929 6.509 91 HA VAL 15 HA VAL 15 3.079 4.089 8.048 92 HB VAL 15 HB VAL 15 4.837 6.499 8.046 93 HG11 VAL 15 1HG1 VAL 15 2.366 5.682 9.212 94 HG12 VAL 15 2HG1 VAL 15 3.516 6.044 10.500 95 HG13 VAL 15 3HG1 VAL 15 3.153 7.259 9.274 96 HG21 VAL 15 1HG2 VAL 15 5.196 4.083 9.796 97 HG22 VAL 15 2HG2 VAL 15 6.415 4.964 8.873 98 HG23 VAL 15 3HG2 VAL 15 5.695 5.695 10.308 99 H VAL 16 H VAL 16 1.639 5.778 7.326 100 HA VAL 16 HA VAL 16 2.022 6.379 4.477 101 HB VAL 16 HB VAL 16 -0.460 6.220 6.178 102 HG11 VAL 16 1HG1 VAL 16 -0.729 8.144 4.750 103 HG12 VAL 16 2HG1 VAL 16 -0.192 7.221 3.345 104 HG13 VAL 16 3HG1 VAL 16 -1.719 6.821 4.134 105 HG21 VAL 16 1HG2 VAL 16 0.407 4.097 5.368 106 HG22 VAL 16 2HG2 VAL 16 -1.104 4.497 4.552 107 HG23 VAL 16 3HG2 VAL 16 0.434 4.719 3.718 108 H THR 17 H THR 17 2.225 8.409 3.760 109 HA THR 17 HA THR 17 2.112 10.572 5.735 110 HB THR 17 HB THR 17 4.220 10.349 4.504 111 HG1 THR 17 1HG THR 17 2.663 12.652 3.882 112 HG21 THR 17 1HG2 THR 17 4.354 10.738 2.122 113 HG22 THR 17 2HG2 THR 17 2.612 10.999 2.032 114 HG23 THR 17 3HG2 THR 17 3.245 9.401 2.426 115 H GLU 18 H GLU 18 0.803 9.570 2.630 116 HA GLU 18 HA GLU 18 -1.201 11.708 2.865 117 HB2 GLU 18 1HB GLU 18 0.539 11.032 0.542 118 HB3 GLU 18 2HB GLU 18 -1.117 11.524 0.214 119 HG2 GLU 18 1HG GLU 18 -0.695 13.578 1.562 120 HG3 GLU 18 2HG GLU 18 0.999 13.099 1.656 121 H THR 19 H THR 19 -3.272 11.207 2.130 122 HA THR 19 HA THR 19 -3.752 8.471 1.201 123 HB THR 19 HB THR 19 -5.843 8.639 2.849 124 HG1 THR 19 1HG THR 19 -5.306 9.687 4.743 125 HG21 THR 19 1HG2 THR 19 -3.435 7.830 4.324 126 HG22 THR 19 2HG2 THR 19 -3.585 7.118 2.717 127 HG23 THR 19 3HG2 THR 19 -4.873 6.900 3.902 128 H THR 20 H THR 20 -4.762 8.749 -0.676 129 HA THR 20 HA THR 20 -6.617 10.989 -1.007 130 HB THR 20 HB THR 20 -5.988 9.158 -3.270 131 HG1 THR 20 1HG THR 20 -3.956 9.572 -2.192 132 HG21 THR 20 1HG2 THR 20 -7.154 10.829 -4.212 133 HG22 THR 20 2HG2 THR 20 -5.665 11.763 -4.075 134 HG23 THR 20 3HG2 THR 20 -6.907 11.897 -2.831 135 H ALA 21 H ALA 21 -8.594 10.517 -2.369 136 HA ALA 21 HA ALA 21 -10.243 8.675 -1.046 137 HB1 ALA 21 1HB ALA 21 -11.875 9.741 -2.123 138 HB2 ALA 21 2HB ALA 21 -10.616 10.759 -2.824 139 HB3 ALA 21 3HB ALA 21 -11.196 9.344 -3.702 140 H THR 22 H THR 22 -8.320 8.408 -3.960 141 HA THR 22 HA THR 22 -9.010 5.552 -4.083 142 HB THR 22 HB THR 22 -8.979 5.592 -6.516 143 HG1 THR 22 1HG THR 22 -8.118 8.198 -6.073 144 HG21 THR 22 1HG2 THR 22 -10.905 7.582 -6.588 145 HG22 THR 22 2HG2 THR 22 -10.921 7.039 -4.910 146 HG23 THR 22 3HG2 THR 22 -11.177 5.881 -6.214 147 H SER 23 H SER 23 -6.705 7.240 -3.057 148 HA SER 23 HA SER 23 -4.616 5.536 -4.098 149 HB2 SER 23 1HB SER 23 -4.207 8.523 -4.273 150 HB3 SER 23 2HB SER 23 -3.165 7.247 -4.902 151 HG SER 23 HG SER 23 -4.311 7.252 -6.652 152 H VAL 24 H VAL 24 -2.475 6.081 -2.968 153 HA VAL 24 HA VAL 24 -2.649 7.459 -0.452 154 HB VAL 24 HB VAL 24 -2.428 4.446 -0.447 155 HG11 VAL 24 1HG1 VAL 24 -2.387 4.850 2.086 156 HG12 VAL 24 2HG1 VAL 24 -0.902 5.145 1.180 157 HG13 VAL 24 3HG1 VAL 24 -1.915 6.499 1.679 158 HG21 VAL 24 1HG2 VAL 24 -4.413 4.670 1.096 159 HG22 VAL 24 2HG2 VAL 24 -4.518 6.353 0.581 160 HG23 VAL 24 3HG2 VAL 24 -4.713 5.057 -0.598 161 H THR 25 H THR 25 -0.613 7.508 0.687 162 HA THR 25 HA THR 25 1.672 6.821 -1.046 163 HB THR 25 HB THR 25 1.549 9.119 0.914 164 HG1 THR 25 1HG THR 25 1.671 10.202 -1.355 165 HG21 THR 25 1HG2 THR 25 3.801 8.641 0.661 166 HG22 THR 25 2HG2 THR 25 3.537 9.813 -0.630 167 HG23 THR 25 3HG2 THR 25 3.603 8.090 -1.002 168 H LEU 26 H LEU 26 3.006 5.355 -0.231 169 HA LEU 26 HA LEU 26 3.045 4.953 2.685 170 HB2 LEU 26 1HB LEU 26 2.297 3.088 1.096 171 HB3 LEU 26 2HB LEU 26 3.996 2.971 0.640 172 HG LEU 26 HG LEU 26 4.450 2.596 3.132 173 HD11 LEU 26 1HD1 LEU 26 2.553 1.600 4.364 174 HD12 LEU 26 2HD1 LEU 26 1.477 2.106 3.062 175 HD13 LEU 26 3HD1 LEU 26 2.331 3.315 4.020 176 HD21 LEU 26 1HD2 LEU 26 4.601 0.417 2.640 177 HD22 LEU 26 2HD2 LEU 26 4.012 0.890 1.046 178 HD23 LEU 26 3HD2 LEU 26 2.884 0.284 2.260 179 H THR 27 H THR 27 4.892 5.211 3.785 180 HA THR 27 HA THR 27 7.374 5.589 2.239 181 HB THR 27 HB THR 27 8.095 7.301 3.732 182 HG1 THR 27 1HG THR 27 6.541 7.922 5.477 183 HG21 THR 27 1HG2 THR 27 6.657 9.016 3.146 184 HG22 THR 27 2HG2 THR 27 5.214 8.038 3.415 185 HG23 THR 27 3HG2 THR 27 6.208 7.767 1.985 186 H TRP 28 H TRP 28 9.167 4.540 2.924 187 HA TRP 28 HA TRP 28 9.294 3.390 5.580 188 HB2 TRP 28 1HB TRP 28 9.569 1.105 4.865 189 HB3 TRP 28 2HB TRP 28 8.049 1.709 4.212 190 HD1 TRP 28 HD TRP 28 11.494 0.491 3.145 191 HE1 TRP 28 1HE TRP 28 11.504 0.150 0.593 192 HE3 TRP 28 3HE TRP 28 6.964 2.582 2.028 193 HZ2 TRP 28 2HZ TRP 28 9.816 0.696 -1.602 194 HZ3 TRP 28 3HZ TRP 28 6.236 2.633 -0.322 195 HH2 TRP 28 HH TRP 28 7.634 1.709 -2.098 196 H ASP 29 H ASP 29 11.419 2.027 5.730 197 HA ASP 29 HA ASP 29 13.517 3.565 4.348 198 HB2 ASP 29 1HB ASP 29 13.466 3.892 6.789 199 HB3 ASP 29 2HB ASP 29 13.648 2.156 7.023 200 H SER 30 H SER 30 15.417 2.470 3.672 201 HA SER 30 HA SER 30 15.114 0.204 2.209 202 HB2 SER 30 1HB SER 30 17.558 -0.057 2.261 203 HB3 SER 30 2HB SER 30 17.108 1.640 2.089 204 HG SER 30 HG SER 30 18.123 0.294 4.349 205 H GLY 31 H GLY 31 16.363 0.317 5.545 206 HA2 GLY 31 1HA GLY 31 16.129 -1.245 7.236 207 HA3 GLY 31 2HA GLY 31 15.150 -2.220 6.150 208 H ASN 32 H ASN 32 16.917 -2.621 4.059 209 HA ASN 32 HA ASN 32 18.669 -4.592 5.248 210 HB2 ASN 32 1HB ASN 32 17.872 -3.919 2.425 211 HB3 ASN 32 2HB ASN 32 19.194 -5.034 2.754 212 HD21 ASN 32 1HD2 ASN 32 15.820 -4.426 3.642 213 HD22 ASN 32 2HD2 ASN 32 15.361 -6.090 3.722 214 H SER 33 H SER 33 20.919 -4.829 4.283 215 HA SER 33 HA SER 33 22.211 -2.184 4.284 216 HB2 SER 33 1HB SER 33 22.824 -3.669 6.171 217 HB3 SER 33 2HB SER 33 23.407 -4.869 5.017 218 HG SER 33 HG SER 33 24.398 -2.240 4.928 219 H GLU 34 H GLU 34 21.937 -5.234 2.606 220 HA GLU 34 HA GLU 34 24.051 -4.626 0.734 221 HB2 GLU 34 1HB GLU 34 22.180 -6.892 1.192 222 HB3 GLU 34 2HB GLU 34 22.823 -6.693 -0.432 223 HG2 GLU 34 1HG GLU 34 25.108 -6.513 0.868 224 HG3 GLU 34 2HG GLU 34 24.214 -7.421 2.085 225 HA PRO 35 HA PRO 35 21.753 -2.540 -2.365 226 HB2 PRO 35 1HB PRO 35 22.801 -3.568 -4.648 227 HB3 PRO 35 2HB PRO 35 23.688 -2.454 -3.601 228 HG2 PRO 35 1HG PRO 35 23.864 -5.438 -3.774 229 HG3 PRO 35 2HG PRO 35 25.170 -4.246 -3.635 230 HD2 PRO 35 1HD PRO 35 24.263 -5.667 -1.516 231 HD3 PRO 35 2HD PRO 35 24.883 -4.011 -1.360 232 H VAL 36 H VAL 36 19.688 -3.483 -1.870 233 HA VAL 36 HA VAL 36 18.794 -5.941 -2.928 234 HB VAL 36 HB VAL 36 16.990 -3.601 -2.357 235 HG11 VAL 36 1HG1 VAL 36 16.682 -6.487 -2.749 236 HG12 VAL 36 2HG1 VAL 36 15.827 -5.848 -1.343 237 HG13 VAL 36 3HG1 VAL 36 15.512 -5.182 -2.947 238 HG21 VAL 36 1HG2 VAL 36 17.798 -3.510 -0.283 239 HG22 VAL 36 2HG2 VAL 36 17.128 -5.123 -0.037 240 HG23 VAL 36 3HG2 VAL 36 18.807 -4.933 -0.542 241 H THR 37 H THR 37 17.443 -6.385 -4.695 242 HA THR 37 HA THR 37 18.031 -4.879 -7.048 243 HB THR 37 HB THR 37 16.069 -7.150 -6.671 244 HG1 THR 37 1HG THR 37 18.013 -8.152 -7.882 245 HG21 THR 37 1HG2 THR 37 15.726 -5.703 -8.702 246 HG22 THR 37 2HG2 THR 37 16.080 -7.397 -9.045 247 HG23 THR 37 3HG2 THR 37 17.341 -6.178 -9.226 248 H TYR 38 H TYR 38 14.931 -5.671 -5.463 249 HA TYR 38 HA TYR 38 13.935 -3.009 -5.905 250 HB2 TYR 38 1HB TYR 38 12.185 -3.496 -7.422 251 HB3 TYR 38 2HB TYR 38 13.622 -4.237 -8.117 252 HD1 TYR 38 2HD TYR 38 13.876 -6.669 -8.149 253 HD2 TYR 38 1HD TYR 38 10.359 -4.846 -6.598 254 HE1 TYR 38 2HE TYR 38 12.712 -8.833 -8.264 255 HE2 TYR 38 1HE TYR 38 9.185 -7.005 -6.707 256 HH TYR 38 HH TYR 38 10.865 -9.971 -7.506 257 H TYR 39 H TYR 39 11.545 -2.905 -5.224 258 HA TYR 39 HA TYR 39 11.079 -4.809 -3.023 259 HB2 TYR 39 1HB TYR 39 10.692 -1.815 -3.055 260 HB3 TYR 39 2HB TYR 39 9.997 -2.861 -1.821 261 HD1 TYR 39 1HD TYR 39 13.277 -2.018 -3.390 262 HD2 TYR 39 2HD TYR 39 11.215 -3.305 0.102 263 HE1 TYR 39 1HE TYR 39 15.375 -1.891 -2.112 264 HE2 TYR 39 2HE TYR 39 13.307 -3.180 1.390 265 HH TYR 39 HH TYR 39 15.633 -3.128 1.122 266 H GLY 40 H GLY 40 9.069 -5.647 -2.832 267 HA2 GLY 40 1HA GLY 40 7.145 -4.911 -4.925 268 HA3 GLY 40 2HA GLY 40 7.155 -6.419 -4.023 269 H ILE 41 H ILE 41 4.826 -4.984 -4.366 270 HA ILE 41 HA ILE 41 4.258 -4.210 -1.595 271 HB ILE 41 HB ILE 41 3.300 -2.656 -4.002 272 HG12 ILE 41 1HG1 ILE 41 5.064 -1.652 -1.775 273 HG13 ILE 41 2HG1 ILE 41 5.733 -2.371 -3.236 274 HG21 ILE 41 1HG2 ILE 41 2.229 -2.925 -1.378 275 HG22 ILE 41 2HG2 ILE 41 2.851 -1.287 -1.570 276 HG23 ILE 41 3HG2 ILE 41 1.659 -1.916 -2.707 277 HD11 ILE 41 1HD1 ILE 41 5.276 -0.563 -4.487 278 HD12 ILE 41 2HD1 ILE 41 3.757 -0.233 -3.653 279 HD13 ILE 41 3HD1 ILE 41 5.288 0.254 -2.925 280 H GLN 42 H GLN 42 2.358 -4.956 -0.816 281 HA GLN 42 HA GLN 42 0.437 -6.113 -2.715 282 HB2 GLN 42 1HB GLN 42 1.641 -7.425 -0.287 283 HB3 GLN 42 2HB GLN 42 0.103 -7.952 -0.957 284 HG2 GLN 42 1HG GLN 42 1.067 -8.758 -2.891 285 HG3 GLN 42 2HG GLN 42 2.501 -7.748 -2.719 286 HE21 GLN 42 1HE2 GLN 42 4.235 -8.521 -1.656 287 HE22 GLN 42 2HE2 GLN 42 4.319 -10.087 -0.933 288 H TYR 43 H TYR 43 -1.550 -5.370 -2.402 289 HA TYR 43 HA TYR 43 -2.456 -4.722 0.297 290 HB2 TYR 43 1HB TYR 43 -3.370 -2.544 -0.464 291 HB3 TYR 43 2HB TYR 43 -1.612 -2.598 -0.515 292 HD1 TYR 43 1HD TYR 43 -0.593 -3.305 -2.842 293 HD2 TYR 43 2HD TYR 43 -4.509 -1.730 -2.305 294 HE1 TYR 43 1HE TYR 43 -0.636 -2.622 -5.205 295 HE2 TYR 43 2HE TYR 43 -4.563 -1.044 -4.666 296 HH TYR 43 HH TYR 43 -3.193 -2.007 -6.895 297 H ARG 44 H ARG 44 -4.764 -4.562 0.488 298 HA ARG 44 HA ARG 44 -6.512 -5.040 -1.693 299 HB2 ARG 44 1HB ARG 44 -5.639 -7.270 -1.697 300 HB3 ARG 44 2HB ARG 44 -5.784 -7.392 0.051 301 HG2 ARG 44 1HG ARG 44 -8.038 -7.764 -0.021 302 HG3 ARG 44 2HG ARG 44 -8.243 -6.899 -1.545 303 HD2 ARG 44 1HD ARG 44 -6.623 -9.394 -1.540 304 HD3 ARG 44 2HD ARG 44 -8.376 -9.536 -1.413 305 HE ARG 44 HE ARG 44 -6.873 -8.832 -3.737 306 HH11 ARG 44 2HH1 ARG 44 -9.915 -8.370 -2.108 307 HH12 ARG 44 1HH1 ARG 44 -10.789 -8.020 -3.562 308 HH21 ARG 44 2HH2 ARG 44 -8.013 -8.373 -5.659 309 HH22 ARG 44 1HH2 ARG 44 -9.707 -8.023 -5.581 310 H ALA 45 H ALA 45 -8.730 -5.116 -1.056 311 HA ALA 45 HA ALA 45 -9.567 -3.422 0.859 312 HB1 ALA 45 1HB ALA 45 -11.724 -4.290 0.645 313 HB2 ALA 45 2HB ALA 45 -10.942 -4.709 -0.880 314 HB3 ALA 45 3HB ALA 45 -11.137 -5.932 0.377 315 H ALA 46 H ALA 46 -9.258 -3.294 2.974 316 HA ALA 46 HA ALA 46 -8.277 -5.427 4.549 317 HB1 ALA 46 1HB ALA 46 -7.776 -3.118 5.092 318 HB2 ALA 46 2HB ALA 46 -9.483 -2.798 5.402 319 HB3 ALA 46 3HB ALA 46 -8.588 -3.899 6.449 320 H GLY 47 H GLY 47 -9.744 -7.155 4.326 321 HA2 GLY 47 1HA GLY 47 -11.583 -7.535 6.333 322 HA3 GLY 47 2HA GLY 47 -12.513 -6.887 4.990 323 H THR 48 H THR 48 -11.417 -8.060 2.815 324 HA THR 48 HA THR 48 -12.511 -10.677 2.927 325 HB THR 48 HB THR 48 -12.484 -9.231 0.879 326 HG1 THR 48 1HG THR 48 -12.862 -11.497 0.735 327 HG21 THR 48 1HG2 THR 48 -10.391 -9.444 -0.531 328 HG22 THR 48 2HG2 THR 48 -9.565 -9.980 0.932 329 HG23 THR 48 3HG2 THR 48 -10.273 -8.367 0.859 330 H GLU 49 H GLU 49 -11.257 -12.601 2.048 331 HA GLU 49 HA GLU 49 -8.547 -12.658 3.202 332 HB2 GLU 49 1HB GLU 49 -10.512 -13.892 4.435 333 HB3 GLU 49 2HB GLU 49 -10.271 -15.103 3.184 334 HG2 GLU 49 1HG GLU 49 -7.969 -15.392 3.856 335 HG3 GLU 49 2HG GLU 49 -8.133 -14.108 5.052 336 H GLY 50 H GLY 50 -8.741 -12.038 0.604 337 HA2 GLY 50 1HA GLY 50 -8.177 -14.571 -0.810 338 HA3 GLY 50 2HA GLY 50 -8.830 -13.138 -1.590 339 HA PRO 51 HA PRO 51 -4.241 -13.229 -2.276 340 HB2 PRO 51 1HB PRO 51 -4.388 -12.715 -4.938 341 HB3 PRO 51 2HB PRO 51 -4.477 -14.349 -4.269 342 HG2 PRO 51 1HG PRO 51 -6.692 -12.548 -5.169 343 HG3 PRO 51 2HG PRO 51 -6.479 -14.286 -5.450 344 HD2 PRO 51 1HD PRO 51 -8.137 -13.311 -3.544 345 HD3 PRO 51 2HD PRO 51 -7.270 -14.849 -3.360 346 H PHE 52 H PHE 52 -3.217 -11.405 -1.777 347 HA PHE 52 HA PHE 52 -4.483 -8.841 -2.172 348 HB2 PHE 52 1HB PHE 52 -1.975 -9.773 -0.810 349 HB3 PHE 52 2HB PHE 52 -2.231 -8.060 -1.124 350 HD1 PHE 52 2HD PHE 52 -4.671 -10.677 -0.118 351 HD2 PHE 52 1HD PHE 52 -2.608 -7.112 0.954 352 HE1 PHE 52 2HE PHE 52 -6.028 -10.511 1.928 353 HE2 PHE 52 1HE PHE 52 -3.962 -6.940 3.001 354 HZ PHE 52 HZ PHE 52 -5.675 -8.640 3.490 355 H GLN 53 H GLN 53 -3.865 -7.229 -3.547 356 HA GLN 53 HA GLN 53 -2.921 -7.726 -6.032 357 HB2 GLN 53 1HB GLN 53 -2.479 -5.198 -4.435 358 HB3 GLN 53 2HB GLN 53 -2.303 -5.326 -6.180 359 HG2 GLN 53 1HG GLN 53 -4.878 -6.156 -4.955 360 HG3 GLN 53 2HG GLN 53 -4.515 -4.435 -5.077 361 HE21 GLN 53 1HE2 GLN 53 -6.363 -6.476 -6.475 362 HE22 GLN 53 2HE2 GLN 53 -6.180 -6.082 -8.147 363 H GLU 54 H GLU 54 -0.884 -7.142 -7.115 364 HA GLU 54 HA GLU 54 1.483 -7.437 -5.404 365 HB2 GLU 54 1HB GLU 54 0.918 -9.653 -6.327 366 HB3 GLU 54 2HB GLU 54 0.990 -8.987 -7.952 367 HG2 GLU 54 1HG GLU 54 3.345 -8.535 -7.709 368 HG3 GLU 54 2HG GLU 54 3.303 -9.066 -6.029 369 H VAL 55 H VAL 55 3.088 -6.075 -5.893 370 HA VAL 55 HA VAL 55 3.118 -4.822 -8.553 371 HB VAL 55 HB VAL 55 3.460 -3.355 -5.934 372 HG11 VAL 55 1HG1 VAL 55 4.031 -1.446 -7.104 373 HG12 VAL 55 2HG1 VAL 55 4.874 -2.699 -8.016 374 HG13 VAL 55 3HG1 VAL 55 3.351 -2.043 -8.617 375 HG21 VAL 55 1HG2 VAL 55 1.439 -2.350 -7.741 376 HG22 VAL 55 2HG2 VAL 55 1.126 -4.026 -7.290 377 HG23 VAL 55 3HG2 VAL 55 1.306 -2.796 -6.039 378 H ASP 56 H ASP 56 5.053 -4.867 -9.493 379 HA ASP 56 HA ASP 56 7.441 -5.150 -7.796 380 HB2 ASP 56 1HB ASP 56 8.396 -6.678 -9.502 381 HB3 ASP 56 2HB ASP 56 6.958 -7.337 -8.728 382 H GLY 57 H GLY 57 9.288 -4.099 -8.484 383 HA2 GLY 57 1HA GLY 57 10.549 -3.001 -10.251 384 HA3 GLY 57 2HA GLY 57 9.019 -2.461 -10.925 385 H VAL 58 H VAL 58 10.051 -2.369 -7.542 386 HA VAL 58 HA VAL 58 9.859 0.571 -7.663 387 HB VAL 58 HB VAL 58 9.311 -1.188 -5.269 388 HG11 VAL 58 1HG1 VAL 58 8.330 1.576 -5.330 389 HG12 VAL 58 2HG1 VAL 58 9.093 0.668 -4.023 390 HG13 VAL 58 3HG1 VAL 58 10.085 1.417 -5.274 391 HG21 VAL 58 1HG2 VAL 58 7.029 0.278 -6.134 392 HG22 VAL 58 2HG2 VAL 58 7.670 -0.625 -7.507 393 HG23 VAL 58 3HG2 VAL 58 7.240 -1.470 -6.020 394 H ALA 59 H ALA 59 12.040 0.947 -8.042 395 HA ALA 59 HA ALA 59 14.015 -0.165 -6.221 396 HB1 ALA 59 1HB ALA 59 15.238 1.736 -7.880 397 HB2 ALA 59 2HB ALA 59 15.283 -0.021 -8.036 398 HB3 ALA 59 3HB ALA 59 14.044 0.908 -8.881 399 H THR 60 H THR 60 11.980 1.687 -5.213 400 HA THR 60 HA THR 60 13.801 3.715 -4.111 401 HB THR 60 HB THR 60 11.726 5.246 -4.026 402 HG1 THR 60 1HG THR 60 10.949 3.657 -6.251 403 HG21 THR 60 1HG2 THR 60 13.543 4.657 -6.271 404 HG22 THR 60 2HG2 THR 60 13.238 6.175 -5.426 405 HG23 THR 60 3HG2 THR 60 12.124 5.621 -6.677 406 H THR 61 H THR 61 13.047 4.625 -2.048 407 HA THR 61 HA THR 61 11.935 2.524 -0.382 408 HB THR 61 HB THR 61 12.483 4.110 1.501 409 HG1 THR 61 1HG THR 61 12.713 5.828 -0.494 410 HG21 THR 61 1HG2 THR 61 14.788 3.593 1.492 411 HG22 THR 61 2HG2 THR 61 14.863 3.600 -0.270 412 HG23 THR 61 3HG2 THR 61 14.016 2.303 0.571 413 H ARG 62 H ARG 62 10.448 4.545 -2.285 414 HA ARG 62 HA ARG 62 8.172 4.852 -0.487 415 HB2 ARG 62 1HB ARG 62 9.694 7.086 -1.728 416 HB3 ARG 62 2HB ARG 62 7.940 7.217 -1.709 417 HG2 ARG 62 1HG ARG 62 7.941 6.942 0.717 418 HG3 ARG 62 2HG ARG 62 9.701 6.806 0.699 419 HD2 ARG 62 1HD ARG 62 8.463 9.189 -0.576 420 HD3 ARG 62 2HD ARG 62 8.474 9.103 1.185 421 HE ARG 62 HE ARG 62 11.031 8.558 0.574 422 HH11 ARG 62 2HH1 ARG 62 8.868 11.083 -0.460 423 HH12 ARG 62 1HH1 ARG 62 10.129 12.248 -0.690 424 HH21 ARG 62 2HH2 ARG 62 12.700 10.084 0.276 425 HH22 ARG 62 1HH2 ARG 62 12.308 11.679 -0.272 426 H TYR 63 H TYR 63 6.173 4.893 -1.528 427 HA TYR 63 HA TYR 63 5.990 4.964 -4.397 428 HB2 TYR 63 1HB TYR 63 6.732 2.669 -4.136 429 HB3 TYR 63 2HB TYR 63 5.492 2.370 -2.924 430 HD1 TYR 63 1HD TYR 63 6.067 3.042 -6.514 431 HD2 TYR 63 2HD TYR 63 3.272 1.802 -3.554 432 HE1 TYR 63 1HE TYR 63 4.522 2.316 -8.285 433 HE2 TYR 63 2HE TYR 63 1.720 1.072 -5.317 434 HH TYR 63 HH TYR 63 2.328 0.322 -8.109 435 H SER 64 H SER 64 3.829 5.048 -5.155 436 HA SER 64 HA SER 64 1.847 5.538 -3.028 437 HB2 SER 64 1HB SER 64 0.942 7.327 -4.252 438 HB3 SER 64 2HB SER 64 2.681 7.521 -4.468 439 HG SER 64 HG SER 64 2.509 6.636 -6.505 440 H ILE 65 H ILE 65 -0.064 4.506 -3.135 441 HA ILE 65 HA ILE 65 -0.430 2.596 -5.324 442 HB ILE 65 HB ILE 65 -1.830 2.764 -2.653 443 HG12 ILE 65 1HG1 ILE 65 -0.511 0.488 -2.467 444 HG13 ILE 65 2HG1 ILE 65 0.537 1.238 -3.665 445 HG21 ILE 65 1HG2 ILE 65 -3.139 1.772 -4.566 446 HG22 ILE 65 2HG2 ILE 65 -1.919 0.501 -4.632 447 HG23 ILE 65 3HG2 ILE 65 -2.893 0.714 -3.177 448 HD11 ILE 65 1HD1 ILE 65 0.538 1.582 -0.867 449 HD12 ILE 65 2HD1 ILE 65 1.573 2.354 -2.069 450 HD13 ILE 65 3HD1 ILE 65 0.057 3.116 -1.591 451 H GLY 66 H GLY 66 -2.300 2.485 -6.547 452 HA2 GLY 66 1HA GLY 66 -4.316 4.582 -6.116 453 HA3 GLY 66 2HA GLY 66 -3.532 4.457 -7.684 454 H GLY 67 H GLY 67 -6.340 4.218 -7.166 455 HA2 GLY 67 1HA GLY 67 -7.877 2.892 -8.388 456 HA3 GLY 67 2HA GLY 67 -6.738 1.556 -8.321 457 H LEU 68 H LEU 68 -7.866 3.547 -5.628 458 HA LEU 68 HA LEU 68 -9.040 1.116 -4.448 459 HB2 LEU 68 1HB LEU 68 -7.951 3.537 -3.020 460 HB3 LEU 68 2HB LEU 68 -8.570 2.068 -2.268 461 HG LEU 68 HG LEU 68 -6.121 2.162 -4.025 462 HD11 LEU 68 1HD1 LEU 68 -5.052 3.077 -2.309 463 HD12 LEU 68 2HD1 LEU 68 -5.382 1.605 -1.397 464 HD13 LEU 68 3HD1 LEU 68 -6.484 2.977 -1.285 465 HD21 LEU 68 1HD2 LEU 68 -5.718 -0.028 -2.772 466 HD22 LEU 68 2HD2 LEU 68 -6.950 -0.027 -4.034 467 HD23 LEU 68 3HD2 LEU 68 -7.426 0.050 -2.337 468 H SER 69 H SER 69 -10.695 1.774 -2.650 469 HA SER 69 HA SER 69 -12.673 3.470 -3.974 470 HB2 SER 69 1HB SER 69 -13.399 1.225 -3.331 471 HB3 SER 69 2HB SER 69 -12.956 1.544 -1.654 472 HG SER 69 HG SER 69 -15.274 1.892 -2.558 473 HA PRO 70 HA PRO 70 -12.144 6.812 -1.162 474 HB2 PRO 70 1HB PRO 70 -14.594 7.960 -1.390 475 HB3 PRO 70 2HB PRO 70 -13.363 8.063 -2.655 476 HG2 PRO 70 1HG PRO 70 -15.727 6.236 -2.455 477 HG3 PRO 70 2HG PRO 70 -15.111 7.119 -3.864 478 HD2 PRO 70 1HD PRO 70 -14.615 4.487 -3.462 479 HD3 PRO 70 2HD PRO 70 -13.459 5.563 -4.273 480 H PHE 71 H PHE 71 -12.248 6.934 0.990 481 HA PHE 71 HA PHE 71 -12.936 6.685 3.144 482 HB2 PHE 71 1HB PHE 71 -15.080 7.686 2.060 483 HB3 PHE 71 2HB PHE 71 -15.718 6.052 2.206 484 HD1 PHE 71 2HD PHE 71 -13.867 8.511 4.322 485 HD2 PHE 71 1HD PHE 71 -16.981 5.621 4.063 486 HE1 PHE 71 2HE PHE 71 -14.480 8.966 6.661 487 HE2 PHE 71 1HE PHE 71 -17.599 6.072 6.401 488 HZ PHE 71 HZ PHE 71 -16.347 7.745 7.704 489 H SER 72 H SER 72 -11.771 4.506 1.955 490 HA SER 72 HA SER 72 -13.235 2.272 3.197 491 HB2 SER 72 1HB SER 72 -12.395 0.777 1.462 492 HB3 SER 72 2HB SER 72 -13.288 2.106 0.723 493 HG SER 72 HG SER 72 -11.185 3.124 0.429 494 H GLU 73 H GLU 73 -11.742 0.398 3.704 495 HA GLU 73 HA GLU 73 -9.197 1.451 4.748 496 HB2 GLU 73 1HB GLU 73 -11.149 0.578 6.300 497 HB3 GLU 73 2HB GLU 73 -10.475 -0.994 5.890 498 HG2 GLU 73 1HG GLU 73 -8.313 -0.321 6.763 499 HG3 GLU 73 2HG GLU 73 -8.946 1.284 7.127 500 H TYR 74 H TYR 74 -7.402 0.622 3.922 501 HA TYR 74 HA TYR 74 -7.489 -2.090 2.780 502 HB2 TYR 74 1HB TYR 74 -6.524 0.450 1.538 503 HB3 TYR 74 2HB TYR 74 -5.683 -1.047 1.154 504 HD1 TYR 74 1HD TYR 74 -8.924 0.706 0.955 505 HD2 TYR 74 2HD TYR 74 -6.663 -2.677 -0.286 506 HE1 TYR 74 1HE TYR 74 -10.641 0.183 -0.727 507 HE2 TYR 74 2HE TYR 74 -8.373 -3.209 -1.972 508 HH TYR 74 HH TYR 74 -11.309 -2.281 -1.968 509 H ALA 75 H ALA 75 -5.580 -3.297 2.923 510 HA ALA 75 HA ALA 75 -3.712 -2.326 4.969 511 HB1 ALA 75 1HB ALA 75 -4.622 -4.339 5.705 512 HB2 ALA 75 2HB ALA 75 -4.548 -5.070 4.101 513 HB3 ALA 75 3HB ALA 75 -3.067 -4.814 5.023 514 H PHE 76 H PHE 76 -1.571 -2.113 4.587 515 HA PHE 76 HA PHE 76 -0.609 -2.829 1.895 516 HB2 PHE 76 1HB PHE 76 0.273 -0.481 3.587 517 HB3 PHE 76 2HB PHE 76 0.855 -0.875 1.972 518 HD1 PHE 76 1HD PHE 76 -0.584 -0.560 0.022 519 HD2 PHE 76 2HD PHE 76 -1.843 0.578 3.925 520 HE1 PHE 76 1HE PHE 76 -2.380 0.806 -0.959 521 HE2 PHE 76 2HE PHE 76 -3.641 1.945 2.950 522 HZ PHE 76 HZ PHE 76 -3.912 2.060 0.505 523 H ARG 77 H ARG 77 1.602 -3.450 1.707 524 HA ARG 77 HA ARG 77 3.229 -3.841 4.030 525 HB2 ARG 77 1HB ARG 77 3.327 -6.350 3.755 526 HB3 ARG 77 2HB ARG 77 1.841 -5.722 4.454 527 HG2 ARG 77 1HG ARG 77 0.687 -5.984 2.358 528 HG3 ARG 77 2HG ARG 77 2.183 -6.473 1.559 529 HD2 ARG 77 1HD ARG 77 1.305 -8.004 3.950 530 HD3 ARG 77 2HD ARG 77 0.418 -8.241 2.445 531 HE ARG 77 HE ARG 77 3.254 -8.434 2.106 532 HH11 ARG 77 2HH1 ARG 77 0.391 -10.166 3.067 533 HH12 ARG 77 1HH1 ARG 77 1.048 -11.724 2.689 534 HH21 ARG 77 2HH2 ARG 77 4.130 -10.480 1.604 535 HH22 ARG 77 1HH2 ARG 77 3.176 -11.901 1.858 536 H VAL 78 H VAL 78 5.257 -3.594 3.377 537 HA VAL 78 HA VAL 78 5.902 -4.144 0.560 538 HB VAL 78 HB VAL 78 7.483 -2.431 2.475 539 HG11 VAL 78 1HG1 VAL 78 7.680 -3.124 -0.407 540 HG12 VAL 78 2HG1 VAL 78 8.128 -1.491 0.089 541 HG13 VAL 78 3HG1 VAL 78 8.954 -2.884 0.789 542 HG21 VAL 78 1HG2 VAL 78 5.505 -1.506 0.396 543 HG22 VAL 78 2HG2 VAL 78 5.184 -1.557 2.130 544 HG23 VAL 78 3HG2 VAL 78 6.442 -0.495 1.497 545 H LEU 79 H LEU 79 7.908 -5.138 0.037 546 HA LEU 79 HA LEU 79 9.371 -6.435 2.201 547 HB2 LEU 79 1HB LEU 79 9.264 -8.612 0.928 548 HB3 LEU 79 2HB LEU 79 7.797 -8.123 1.773 549 HG LEU 79 HG LEU 79 8.163 -7.582 -1.157 550 HD11 LEU 79 1HD1 LEU 79 6.904 -10.053 0.016 551 HD12 LEU 79 2HD1 LEU 79 8.518 -10.006 -0.692 552 HD13 LEU 79 3HD1 LEU 79 7.107 -9.656 -1.691 553 HD21 LEU 79 1HD2 LEU 79 5.521 -8.237 -0.201 554 HD22 LEU 79 2HD2 LEU 79 6.088 -6.794 -1.041 555 HD23 LEU 79 3HD2 LEU 79 6.217 -6.900 0.715 556 H ALA 80 H ALA 80 11.482 -6.992 1.680 557 HA ALA 80 HA ALA 80 12.572 -5.606 -0.613 558 HB1 ALA 80 1HB ALA 80 13.721 -6.921 1.806 559 HB2 ALA 80 2HB ALA 80 14.759 -6.591 0.418 560 HB3 ALA 80 3HB ALA 80 13.916 -5.268 1.224 561 H VAL 81 H VAL 81 13.638 -6.517 -2.341 562 HA VAL 81 HA VAL 81 13.756 -9.437 -2.522 563 HB VAL 81 HB VAL 81 12.613 -7.804 -4.782 564 HG11 VAL 81 1HG1 VAL 81 11.781 -10.516 -4.757 565 HG12 VAL 81 2HG1 VAL 81 12.811 -9.693 -5.929 566 HG13 VAL 81 3HG1 VAL 81 13.528 -10.480 -4.523 567 HG21 VAL 81 1HG2 VAL 81 11.011 -7.547 -3.064 568 HG22 VAL 81 2HG2 VAL 81 10.414 -8.855 -4.087 569 HG23 VAL 81 3HG2 VAL 81 11.187 -9.224 -2.545 570 H ASN 82 H ASN 82 15.553 -10.158 -3.500 571 HA ASN 82 HA ASN 82 17.011 -8.445 -5.347 572 HB2 ASN 82 1HB ASN 82 18.953 -8.228 -4.126 573 HB3 ASN 82 2HB ASN 82 17.763 -8.168 -2.829 574 HD21 ASN 82 1HD2 ASN 82 17.634 -9.828 -1.377 575 HD22 ASN 82 2HD2 ASN 82 18.789 -11.111 -1.302 576 H SER 83 H SER 83 19.166 -9.736 -5.949 577 HA SER 83 HA SER 83 18.632 -11.776 -7.571 578 HB2 SER 83 1HB SER 83 21.042 -11.208 -5.901 579 HB3 SER 83 2HB SER 83 20.985 -12.729 -6.792 580 HG SER 83 HG SER 83 21.903 -11.222 -8.130 581 H ILE 84 H ILE 84 19.197 -12.155 -4.094 582 HA ILE 84 HA ILE 84 19.057 -14.946 -3.974 583 HB ILE 84 HB ILE 84 18.213 -12.948 -1.871 584 HG12 ILE 84 1HG1 ILE 84 20.542 -12.665 -2.612 585 HG13 ILE 84 2HG1 ILE 84 20.464 -13.274 -0.962 586 HG21 ILE 84 1HG2 ILE 84 17.301 -14.953 -1.145 587 HG22 ILE 84 2HG2 ILE 84 18.621 -15.911 -1.815 588 HG23 ILE 84 3HG2 ILE 84 18.883 -14.941 -0.366 589 HD11 ILE 84 1HD1 ILE 84 21.795 -14.935 -1.544 590 HD12 ILE 84 2HD1 ILE 84 20.569 -15.513 -2.672 591 HD13 ILE 84 3HD1 ILE 84 21.800 -14.372 -3.215 592 H GLY 85 H GLY 85 16.477 -12.600 -3.188 593 HA2 GLY 85 1HA GLY 85 14.405 -13.596 -4.616 594 HA3 GLY 85 2HA GLY 85 14.478 -14.685 -3.239 595 H ARG 86 H ARG 86 12.188 -13.520 -3.351 596 HA ARG 86 HA ARG 86 12.136 -10.927 -2.096 597 HB2 ARG 86 1HB ARG 86 9.677 -11.260 -2.079 598 HB3 ARG 86 2HB ARG 86 10.390 -11.477 -3.672 599 HG2 ARG 86 1HG ARG 86 10.228 -13.864 -3.481 600 HG3 ARG 86 2HG ARG 86 9.683 -13.731 -1.808 601 HD2 ARG 86 1HD ARG 86 7.645 -12.660 -2.505 602 HD3 ARG 86 2HD ARG 86 8.207 -12.589 -4.175 603 HE ARG 86 HE ARG 86 8.240 -15.254 -3.476 604 HH11 ARG 86 2HH1 ARG 86 5.870 -12.713 -3.682 605 HH12 ARG 86 1HH1 ARG 86 4.561 -13.786 -4.053 606 HH21 ARG 86 2HH2 ARG 86 6.525 -16.677 -3.963 607 HH22 ARG 86 1HH2 ARG 86 4.934 -16.040 -4.211 608 H GLY 87 H GLY 87 12.227 -10.541 0.015 609 HA2 GLY 87 1HA GLY 87 12.243 -12.743 1.887 610 HA3 GLY 87 2HA GLY 87 12.542 -11.052 2.259 611 HA PRO 88 HA PRO 88 8.347 -12.337 3.881 612 HB2 PRO 88 1HB PRO 88 8.808 -11.583 6.448 613 HB3 PRO 88 2HB PRO 88 9.203 -13.192 5.834 614 HG2 PRO 88 1HG PRO 88 10.993 -10.827 6.239 615 HG3 PRO 88 2HG PRO 88 11.291 -12.533 6.619 616 HD2 PRO 88 1HD PRO 88 12.288 -11.338 4.403 617 HD3 PRO 88 2HD PRO 88 11.832 -13.054 4.439 618 HA PRO 89 HA PRO 89 6.867 -8.193 3.542 619 HB2 PRO 89 1HB PRO 89 4.408 -8.528 4.641 620 HB3 PRO 89 2HB PRO 89 4.829 -9.122 3.031 621 HG2 PRO 89 1HG PRO 89 4.709 -10.608 5.627 622 HG3 PRO 89 2HG PRO 89 4.132 -11.105 4.025 623 HD2 PRO 89 1HD PRO 89 6.475 -11.977 5.065 624 HD3 PRO 89 2HD PRO 89 6.236 -11.732 3.323 625 H SER 90 H SER 90 6.531 -6.339 4.766 626 HA SER 90 HA SER 90 7.536 -6.439 7.457 627 HB2 SER 90 1HB SER 90 8.223 -4.580 6.105 628 HB3 SER 90 2HB SER 90 6.552 -4.164 5.725 629 HG SER 90 HG SER 90 6.655 -2.927 7.410 630 H GLU 91 H GLU 91 6.378 -5.070 9.168 631 HA GLU 91 HA GLU 91 4.060 -6.315 9.975 632 HB2 GLU 91 1HB GLU 91 5.198 -3.612 10.648 633 HB3 GLU 91 2HB GLU 91 3.716 -4.194 11.392 634 HG2 GLU 91 1HG GLU 91 5.015 -6.222 12.124 635 HG3 GLU 91 2HG GLU 91 6.469 -5.375 11.598 636 H ALA 92 H ALA 92 2.454 -6.492 8.467 637 HA ALA 92 HA ALA 92 1.496 -4.745 6.639 638 HB1 ALA 92 1HB ALA 92 0.324 -6.667 6.483 639 HB2 ALA 92 2HB ALA 92 0.260 -6.898 8.230 640 HB3 ALA 92 3HB ALA 92 -0.852 -5.775 7.448 641 H VAL 93 H VAL 93 0.608 -2.786 6.630 642 HA VAL 93 HA VAL 93 -0.359 -1.686 9.183 643 HB VAL 93 HB VAL 93 0.033 0.541 8.195 644 HG11 VAL 93 1HG1 VAL 93 2.621 -0.857 7.808 645 HG12 VAL 93 2HG1 VAL 93 2.237 0.574 8.766 646 HG13 VAL 93 3HG1 VAL 93 1.823 -1.031 9.371 647 HG21 VAL 93 1HG2 VAL 93 -0.080 -0.672 5.791 648 HG22 VAL 93 2HG2 VAL 93 0.659 0.907 6.057 649 HG23 VAL 93 3HG2 VAL 93 1.667 -0.539 5.993 650 H ARG 94 H ARG 94 -2.103 -0.018 8.965 651 HA ARG 94 HA ARG 94 -3.972 -0.676 6.789 652 HB2 ARG 94 1HB ARG 94 -4.442 -0.670 9.746 653 HB3 ARG 94 2HB ARG 94 -5.760 -0.241 8.663 654 HG2 ARG 94 1HG ARG 94 -5.171 -2.454 7.460 655 HG3 ARG 94 2HG ARG 94 -4.338 -2.850 8.964 656 HD2 ARG 94 1HD ARG 94 -7.244 -2.091 8.688 657 HD3 ARG 94 2HD ARG 94 -6.619 -3.717 8.962 658 HE ARG 94 HE ARG 94 -5.626 -2.199 11.022 659 HH11 ARG 94 2HH1 ARG 94 -8.783 -2.996 9.790 660 HH12 ARG 94 1HH1 ARG 94 -9.558 -2.885 11.336 661 HH21 ARG 94 2HH2 ARG 94 -6.635 -2.049 13.063 662 HH22 ARG 94 1HH2 ARG 94 -8.335 -2.345 13.196 663 H ALA 95 H ALA 95 -4.619 1.057 5.704 664 HA ALA 95 HA ALA 95 -4.763 3.642 7.094 665 HB1 ALA 95 1HB ALA 95 -2.679 3.163 5.524 666 HB2 ALA 95 2HB ALA 95 -3.828 3.656 4.280 667 HB3 ALA 95 3HB ALA 95 -3.444 4.750 5.609 668 H ARG 96 H ARG 96 -6.683 4.569 6.848 669 HA ARG 96 HA ARG 96 -8.547 3.511 4.891 670 HB2 ARG 96 1HB ARG 96 -9.052 4.096 7.366 671 HB3 ARG 96 2HB ARG 96 -9.139 5.757 6.795 672 HG2 ARG 96 1HG ARG 96 -10.904 5.118 5.223 673 HG3 ARG 96 2HG ARG 96 -10.824 3.460 5.820 674 HD2 ARG 96 1HD ARG 96 -12.656 4.540 6.904 675 HD3 ARG 96 2HD ARG 96 -11.370 4.332 8.093 676 HE ARG 96 HE ARG 96 -12.365 6.829 7.014 677 HH11 ARG 96 2HH1 ARG 96 -9.837 5.203 8.771 678 HH12 ARG 96 1HH1 ARG 96 -9.261 6.648 9.536 679 HH21 ARG 96 2HH2 ARG 96 -11.616 8.737 8.014 680 HH22 ARG 96 1HH2 ARG 96 -10.274 8.657 9.105 681 H THR 97 H THR 97 -9.060 4.451 3.023 682 HA THR 97 HA THR 97 -7.655 6.754 2.117 683 HB THR 97 HB THR 97 -8.998 6.543 0.065 684 HG1 THR 97 1HG THR 97 -10.916 5.691 0.292 685 HG21 THR 97 1HG2 THR 97 -7.557 4.254 1.272 686 HG22 THR 97 2HG2 THR 97 -7.226 5.146 -0.213 687 HG23 THR 97 3HG2 THR 97 -8.495 3.922 -0.183 688 H GLY 98 H GLY 98 -8.594 8.744 1.346 689 HA2 GLY 98 1HA GLY 98 -10.430 9.868 3.229 690 HA3 GLY 98 2HA GLY 98 -9.738 10.685 1.835 691 H GLU 99 H GLU 99 -12.287 11.258 2.425 692 HA GLU 99 HA GLU 99 -13.939 9.610 0.642 693 HB2 GLU 99 1HB GLU 99 -15.857 10.501 1.736 694 HB3 GLU 99 2HB GLU 99 -14.714 10.060 2.996 695 HG2 GLU 99 1HG GLU 99 -15.336 12.097 3.765 696 HG3 GLU 99 2HG GLU 99 -13.994 12.586 2.733 697 H GLN 100 H GLN 100 -14.983 10.469 -1.115 698 HA GLN 100 HA GLN 100 -14.740 13.316 -1.675 699 HB2 GLN 100 1HB GLN 100 -12.692 12.164 -2.592 700 HB3 GLN 100 2HB GLN 100 -13.759 11.274 -3.671 701 HG2 GLN 100 1HG GLN 100 -14.499 13.357 -4.683 702 HG3 GLN 100 2HG GLN 100 -13.467 14.268 -3.582 703 HE21 GLN 100 1HE2 GLN 100 -12.638 15.105 -5.649 704 HE22 GLN 100 2HE2 GLN 100 -11.370 14.235 -6.435 705 H SER 101 H SER 101 -16.428 14.103 -2.811 706 HA SER 101 HA SER 101 -18.842 12.931 -2.974 707 HB2 SER 101 1HB SER 101 -17.698 14.813 -5.053 708 HB3 SER 101 2HB SER 101 -19.413 14.487 -4.807 709 HG SER 101 HG SER 101 -18.903 15.192 -2.533 710 H GLY 102 H GLY 102 -19.432 11.022 -3.759 711 HA2 GLY 102 1HA GLY 102 -19.407 10.380 -6.476 712 HA3 GLY 102 2HA GLY 102 -18.011 9.602 -5.745 713 HA PRO 103 HA PRO 103 -20.416 6.332 -4.078 714 HB2 PRO 103 1HB PRO 103 -19.929 6.286 -1.407 715 HB3 PRO 103 2HB PRO 103 -18.725 5.812 -2.611 716 HG2 PRO 103 1HG PRO 103 -19.020 8.406 -1.146 717 HG3 PRO 103 2HG PRO 103 -17.549 7.480 -1.496 718 HD2 PRO 103 1HD PRO 103 -18.286 9.646 -2.944 719 HD3 PRO 103 2HD PRO 103 -17.412 8.274 -3.655 720 H SER 104 H SER 104 -21.098 9.488 -3.020 721 HA SER 104 HA SER 104 -23.767 8.632 -2.135 722 HB2 SER 104 1HB SER 104 -22.171 9.301 -0.222 723 HB3 SER 104 2HB SER 104 -22.348 10.947 -0.830 724 HG SER 104 HG SER 104 -23.892 9.955 0.870 725 H SER 105 H SER 105 -25.417 10.287 -2.344 726 HA SER 105 HA SER 105 -26.570 11.617 -3.824 727 HB2 SER 105 1HB SER 105 -25.782 13.957 -3.771 728 HB3 SER 105 2HB SER 105 -25.732 13.218 -2.171 729 HG SER 105 HG SER 105 -23.814 14.369 -2.633 730 H GLY 106 H GLY 106 -25.088 9.821 -5.280 731 HA2 GLY 106 1HA GLY 106 -23.292 10.828 -7.150 732 HA3 GLY 106 2HA GLY 106 -24.356 9.456 -7.424 Start of MODEL 10 1 H1 GLY 1 H GLY 1 11.863 -27.048 13.465 2 HA2 GLY 1 1HA GLY 1 14.471 -26.516 13.212 3 HA3 GLY 1 2HA GLY 1 13.656 -27.592 12.086 4 H SER 2 H SER 2 13.387 -24.073 12.465 5 HA SER 2 HA SER 2 13.235 -23.445 9.795 6 HB2 SER 2 1HB SER 2 14.269 -21.900 12.159 7 HB3 SER 2 2HB SER 2 14.287 -21.194 10.544 8 HG SER 2 HG SER 2 11.986 -21.739 10.488 9 H SER 3 H SER 3 14.859 -22.258 8.454 10 HA SER 3 HA SER 3 17.326 -23.804 8.391 11 HB2 SER 3 1HB SER 3 16.138 -23.625 6.294 12 HB3 SER 3 2HB SER 3 16.101 -21.866 6.415 13 HG SER 3 HG SER 3 18.246 -21.781 6.000 14 H GLY 4 H GLY 4 16.376 -20.368 8.254 15 HA2 GLY 4 1HA GLY 4 17.881 -19.181 10.064 16 HA3 GLY 4 2HA GLY 4 19.123 -19.597 8.893 17 H SER 5 H SER 5 19.672 -17.921 7.686 18 HA SER 5 HA SER 5 17.617 -15.918 7.037 19 HB2 SER 5 1HB SER 5 19.591 -15.094 8.294 20 HB3 SER 5 2HB SER 5 20.630 -15.624 6.971 21 HG SER 5 HG SER 5 20.260 -13.607 6.381 22 H SER 6 H SER 6 16.720 -16.749 5.194 23 HA SER 6 HA SER 6 18.545 -17.160 2.915 24 HB2 SER 6 1HB SER 6 16.986 -19.082 3.865 25 HB3 SER 6 2HB SER 6 15.767 -18.263 2.888 26 HG SER 6 HG SER 6 16.639 -19.583 1.443 27 H GLY 7 H GLY 7 18.544 -15.023 2.217 28 HA2 GLY 7 1HA GLY 7 17.507 -13.809 0.354 29 HA3 GLY 7 2HA GLY 7 15.957 -14.095 1.132 30 HA PRO 8 HA PRO 8 17.616 -9.865 2.282 31 HB2 PRO 8 1HB PRO 8 15.478 -8.466 1.366 32 HB3 PRO 8 2HB PRO 8 16.869 -8.866 0.353 33 HG2 PRO 8 1HG PRO 8 14.203 -10.217 0.530 34 HG3 PRO 8 2HG PRO 8 15.162 -9.818 -0.907 35 HD2 PRO 8 1HD PRO 8 15.101 -12.307 0.159 36 HD3 PRO 8 2HD PRO 8 16.537 -11.651 -0.653 37 H LYS 9 H LYS 9 16.401 -8.199 3.629 38 HA LYS 9 HA LYS 9 14.661 -9.628 5.516 39 HB2 LYS 9 1HB LYS 9 16.654 -7.429 5.791 40 HB3 LYS 9 2HB LYS 9 15.295 -7.453 6.907 41 HG2 LYS 9 1HG LYS 9 15.961 -9.909 7.314 42 HG3 LYS 9 2HG LYS 9 17.496 -9.450 6.575 43 HD2 LYS 9 1HD LYS 9 16.391 -7.727 8.737 44 HD3 LYS 9 2HD LYS 9 17.113 -9.275 9.183 45 HE2 LYS 9 1HE LYS 9 19.209 -8.669 8.333 46 HE3 LYS 9 2HE LYS 9 18.539 -7.341 7.385 47 HZ1 LYS 9 1HZ LYS 9 19.718 -7.098 9.808 48 HZ2 LYS 9 2HZ LYS 9 18.075 -7.081 10.210 49 HZ3 LYS 9 3HZ LYS 9 18.687 -5.954 9.107 50 HA PRO 10 HA PRO 10 11.169 -7.122 4.635 51 HB2 PRO 10 1HB PRO 10 10.069 -6.805 7.097 52 HB3 PRO 10 2HB PRO 10 10.028 -8.337 6.217 53 HG2 PRO 10 1HG PRO 10 11.869 -7.460 8.408 54 HG3 PRO 10 2HG PRO 10 11.067 -9.025 8.180 55 HD2 PRO 10 1HD PRO 10 13.662 -8.609 7.528 56 HD3 PRO 10 2HD PRO 10 12.623 -9.739 6.637 57 HA PRO 11 HA PRO 11 12.284 -2.890 5.218 58 HB2 PRO 11 1HB PRO 11 9.918 -1.738 4.552 59 HB3 PRO 11 2HB PRO 11 11.007 -2.456 3.358 60 HG2 PRO 11 1HG PRO 11 8.548 -3.612 4.615 61 HG3 PRO 11 2HG PRO 11 9.072 -3.669 2.922 62 HD2 PRO 11 1HD PRO 11 9.408 -5.749 4.622 63 HD3 PRO 11 2HD PRO 11 10.546 -5.398 3.305 64 H ILE 12 H ILE 12 11.755 -1.007 6.500 65 HA ILE 12 HA ILE 12 9.949 -1.547 8.759 66 HB ILE 12 HB ILE 12 11.527 -0.531 10.309 67 HG12 ILE 12 1HG1 ILE 12 13.360 -0.366 7.908 68 HG13 ILE 12 2HG1 ILE 12 12.671 0.991 8.792 69 HG21 ILE 12 1HG2 ILE 12 11.797 -3.037 9.078 70 HG22 ILE 12 2HG2 ILE 12 13.432 -2.413 9.286 71 HG23 ILE 12 3HG2 ILE 12 12.360 -2.555 10.678 72 HD11 ILE 12 1HD1 ILE 12 14.157 -0.807 10.512 73 HD12 ILE 12 2HD1 ILE 12 15.139 -0.141 9.207 74 HD13 ILE 12 3HD1 ILE 12 14.288 0.940 10.310 75 H ASP 13 H ASP 13 9.898 0.656 10.134 76 HA ASP 13 HA ASP 13 8.994 2.743 10.221 77 HB2 ASP 13 1HB ASP 13 11.389 3.068 9.147 78 HB3 ASP 13 2HB ASP 13 10.448 3.533 7.733 79 H LEU 14 H LEU 14 7.542 0.753 8.755 80 HA LEU 14 HA LEU 14 6.496 1.883 6.352 81 HB2 LEU 14 1HB LEU 14 6.516 -0.585 7.231 82 HB3 LEU 14 2HB LEU 14 4.990 -0.115 7.978 83 HG LEU 14 HG LEU 14 4.118 0.469 5.736 84 HD11 LEU 14 1HD1 LEU 14 6.883 0.065 5.019 85 HD12 LEU 14 2HD1 LEU 14 5.576 0.805 4.096 86 HD13 LEU 14 3HD1 LEU 14 5.814 -0.941 4.040 87 HD21 LEU 14 1HD2 LEU 14 4.976 -2.292 5.297 88 HD22 LEU 14 2HD2 LEU 14 3.355 -1.621 5.486 89 HD23 LEU 14 3HD2 LEU 14 4.331 -1.988 6.910 90 H VAL 15 H VAL 15 5.483 3.794 6.472 91 HA VAL 15 HA VAL 15 3.097 3.964 8.149 92 HB VAL 15 HB VAL 15 4.779 6.415 8.053 93 HG11 VAL 15 1HG1 VAL 15 3.798 6.642 10.357 94 HG12 VAL 15 2HG1 VAL 15 2.625 6.621 9.038 95 HG13 VAL 15 3HG1 VAL 15 2.869 5.180 10.026 96 HG21 VAL 15 1HG2 VAL 15 5.298 4.156 9.985 97 HG22 VAL 15 2HG2 VAL 15 6.379 4.667 8.689 98 HG23 VAL 15 3HG2 VAL 15 6.037 5.757 10.032 99 H VAL 16 H VAL 16 1.729 5.855 7.548 100 HA VAL 16 HA VAL 16 1.877 6.288 4.645 101 HB VAL 16 HB VAL 16 -0.482 6.559 6.514 102 HG11 VAL 16 1HG1 VAL 16 -1.760 6.710 4.339 103 HG12 VAL 16 2HG1 VAL 16 -0.796 8.124 4.768 104 HG13 VAL 16 3HG1 VAL 16 -0.209 6.992 3.549 105 HG21 VAL 16 1HG2 VAL 16 -0.934 4.414 6.133 106 HG22 VAL 16 2HG2 VAL 16 -0.740 4.622 4.393 107 HG23 VAL 16 3HG2 VAL 16 0.664 4.272 5.400 108 H THR 17 H THR 17 2.123 8.271 3.811 109 HA THR 17 HA THR 17 2.323 10.519 5.689 110 HB THR 17 HB THR 17 4.279 9.921 4.182 111 HG1 THR 17 1HG THR 17 4.598 12.208 3.661 112 HG21 THR 17 1HG2 THR 17 2.755 11.356 2.032 113 HG22 THR 17 2HG2 THR 17 2.680 9.600 2.180 114 HG23 THR 17 3HG2 THR 17 4.228 10.396 1.897 115 H GLU 18 H GLU 18 0.723 9.454 2.751 116 HA GLU 18 HA GLU 18 -1.224 11.603 3.078 117 HB2 GLU 18 1HB GLU 18 0.429 11.135 0.608 118 HB3 GLU 18 2HB GLU 18 -1.155 11.893 0.516 119 HG2 GLU 18 1HG GLU 18 -0.302 13.567 2.210 120 HG3 GLU 18 2HG GLU 18 1.302 12.896 1.917 121 H THR 19 H THR 19 -3.261 11.162 2.162 122 HA THR 19 HA THR 19 -3.647 8.502 0.998 123 HB THR 19 HB THR 19 -5.796 8.440 2.525 124 HG1 THR 19 1HG THR 19 -3.952 9.926 4.115 125 HG21 THR 19 1HG2 THR 19 -4.764 6.693 3.471 126 HG22 THR 19 2HG2 THR 19 -3.535 7.721 4.210 127 HG23 THR 19 3HG2 THR 19 -3.340 7.170 2.546 128 H THR 20 H THR 20 -4.562 8.920 -0.902 129 HA THR 20 HA THR 20 -6.409 11.169 -1.168 130 HB THR 20 HB THR 20 -5.719 9.457 -3.505 131 HG1 THR 20 1HG THR 20 -3.829 10.404 -1.907 132 HG21 THR 20 1HG2 THR 20 -6.486 12.255 -2.935 133 HG22 THR 20 2HG2 THR 20 -6.928 11.210 -4.285 134 HG23 THR 20 3HG2 THR 20 -5.358 12.012 -4.268 135 H ALA 21 H ALA 21 -8.435 10.894 -2.323 136 HA ALA 21 HA ALA 21 -10.094 8.957 -1.256 137 HB1 ALA 21 1HB ALA 21 -10.298 10.867 -3.508 138 HB2 ALA 21 2HB ALA 21 -11.477 9.556 -3.457 139 HB3 ALA 21 3HB ALA 21 -11.331 10.664 -2.093 140 H THR 22 H THR 22 -8.290 8.917 -4.288 141 HA THR 22 HA THR 22 -8.985 6.067 -4.575 142 HB THR 22 HB THR 22 -8.732 6.370 -7.048 143 HG1 THR 22 1HG THR 22 -9.017 9.146 -6.517 144 HG21 THR 22 1HG2 THR 22 -10.922 6.965 -5.392 145 HG22 THR 22 2HG2 THR 22 -10.957 6.496 -7.092 146 HG23 THR 22 3HG2 THR 22 -10.911 8.202 -6.648 147 H SER 23 H SER 23 -6.668 7.521 -3.332 148 HA SER 23 HA SER 23 -4.607 5.854 -4.455 149 HB2 SER 23 1HB SER 23 -3.856 8.745 -4.349 150 HB3 SER 23 2HB SER 23 -3.188 7.448 -5.339 151 HG SER 23 HG SER 23 -4.393 8.720 -6.684 152 H VAL 24 H VAL 24 -2.522 6.124 -3.223 153 HA VAL 24 HA VAL 24 -2.706 7.386 -0.630 154 HB VAL 24 HB VAL 24 -3.823 5.428 0.039 155 HG11 VAL 24 1HG1 VAL 24 -2.134 3.276 -0.661 156 HG12 VAL 24 2HG1 VAL 24 -3.774 3.604 -1.225 157 HG13 VAL 24 3HG1 VAL 24 -2.391 4.232 -2.120 158 HG21 VAL 24 1HG2 VAL 24 -0.984 4.668 0.639 159 HG22 VAL 24 2HG2 VAL 24 -1.712 6.117 1.333 160 HG23 VAL 24 3HG2 VAL 24 -2.410 4.533 1.669 161 H THR 25 H THR 25 -0.706 7.479 0.471 162 HA THR 25 HA THR 25 1.612 6.742 -1.196 163 HB THR 25 HB THR 25 1.379 9.076 0.715 164 HG1 THR 25 1HG THR 25 1.133 10.309 -1.072 165 HG21 THR 25 1HG2 THR 25 3.636 7.945 -0.890 166 HG22 THR 25 2HG2 THR 25 3.634 8.563 0.762 167 HG23 THR 25 3HG2 THR 25 3.556 9.682 -0.598 168 H LEU 26 H LEU 26 3.051 5.395 -0.332 169 HA LEU 26 HA LEU 26 2.965 4.950 2.580 170 HB2 LEU 26 1HB LEU 26 2.311 3.105 0.823 171 HB3 LEU 26 2HB LEU 26 4.059 2.912 0.701 172 HG LEU 26 HG LEU 26 4.083 2.524 3.188 173 HD11 LEU 26 1HD1 LEU 26 1.334 1.656 3.310 174 HD12 LEU 26 2HD1 LEU 26 1.446 3.390 3.008 175 HD13 LEU 26 3HD1 LEU 26 2.241 2.688 4.417 176 HD21 LEU 26 1HD2 LEU 26 3.835 0.790 1.171 177 HD22 LEU 26 2HD2 LEU 26 2.342 0.425 2.038 178 HD23 LEU 26 3HD2 LEU 26 3.897 0.289 2.861 179 H THR 27 H THR 27 4.836 4.990 3.726 180 HA THR 27 HA THR 27 7.334 5.430 2.226 181 HB THR 27 HB THR 27 8.036 6.963 4.102 182 HG1 THR 27 1HG THR 27 6.542 7.631 5.547 183 HG21 THR 27 1HG2 THR 27 7.559 8.502 2.563 184 HG22 THR 27 2HG2 THR 27 5.913 8.582 3.192 185 HG23 THR 27 3HG2 THR 27 6.303 7.472 1.879 186 H TRP 28 H TRP 28 9.175 4.498 3.043 187 HA TRP 28 HA TRP 28 9.247 3.300 5.652 188 HB2 TRP 28 1HB TRP 28 9.424 0.997 4.989 189 HB3 TRP 28 2HB TRP 28 7.935 1.641 4.302 190 HD1 TRP 28 HD TRP 28 11.307 0.205 3.318 191 HE1 TRP 28 1HE TRP 28 11.350 -0.173 0.772 192 HE3 TRP 28 3HE TRP 28 6.961 2.591 2.070 193 HZ2 TRP 28 2HZ TRP 28 9.753 0.458 -1.468 194 HZ3 TRP 28 3HZ TRP 28 6.290 2.659 -0.297 195 HH2 TRP 28 HH TRP 28 7.659 1.614 -2.028 196 H ASP 29 H ASP 29 11.337 2.123 6.008 197 HA ASP 29 HA ASP 29 13.464 3.529 4.565 198 HB2 ASP 29 1HB ASP 29 13.201 2.355 7.292 199 HB3 ASP 29 2HB ASP 29 14.806 2.400 6.568 200 H SER 30 H SER 30 15.362 2.409 3.879 201 HA SER 30 HA SER 30 14.975 0.202 2.315 202 HB2 SER 30 1HB SER 30 17.442 -0.108 2.364 203 HB3 SER 30 2HB SER 30 16.974 1.575 2.123 204 HG SER 30 HG SER 30 18.421 1.749 3.700 205 H GLY 31 H GLY 31 16.246 0.221 5.640 206 HA2 GLY 31 1HA GLY 31 16.034 -1.394 7.284 207 HA3 GLY 31 2HA GLY 31 15.060 -2.345 6.172 208 H ASN 32 H ASN 32 16.719 -2.812 4.089 209 HA ASN 32 HA ASN 32 18.448 -4.817 5.149 210 HB2 ASN 32 1HB ASN 32 17.775 -3.838 2.396 211 HB3 ASN 32 2HB ASN 32 19.146 -4.919 2.625 212 HD21 ASN 32 1HD2 ASN 32 15.701 -4.580 3.322 213 HD22 ASN 32 2HD2 ASN 32 15.337 -6.267 3.239 214 H SER 33 H SER 33 20.724 -4.994 4.854 215 HA SER 33 HA SER 33 22.094 -2.489 5.268 216 HB2 SER 33 1HB SER 33 22.590 -4.641 6.522 217 HB3 SER 33 2HB SER 33 23.347 -5.230 5.042 218 HG SER 33 HG SER 33 24.481 -3.000 5.297 219 H GLU 34 H GLU 34 21.701 -4.811 2.702 220 HA GLU 34 HA GLU 34 23.599 -3.284 1.046 221 HB2 GLU 34 1HB GLU 34 22.657 -6.141 0.758 222 HB3 GLU 34 2HB GLU 34 23.699 -5.313 -0.389 223 HG2 GLU 34 1HG GLU 34 24.306 -6.161 2.417 224 HG3 GLU 34 2HG GLU 34 25.143 -6.589 0.925 225 HA PRO 35 HA PRO 35 20.295 -1.905 -1.500 226 HB2 PRO 35 1HB PRO 35 21.595 -1.627 -3.867 227 HB3 PRO 35 2HB PRO 35 21.829 -0.522 -2.507 228 HG2 PRO 35 1HG PRO 35 23.523 -2.828 -3.389 229 HG3 PRO 35 2HG PRO 35 24.023 -1.214 -2.850 230 HD2 PRO 35 1HD PRO 35 24.109 -3.381 -1.230 231 HD3 PRO 35 2HD PRO 35 23.784 -1.745 -0.621 232 H VAL 36 H VAL 36 18.846 -3.590 -1.674 233 HA VAL 36 HA VAL 36 19.335 -5.938 -3.208 234 HB VAL 36 HB VAL 36 16.991 -6.464 -2.870 235 HG11 VAL 36 1HG1 VAL 36 17.046 -6.737 -0.564 236 HG12 VAL 36 2HG1 VAL 36 18.751 -6.552 -0.981 237 HG13 VAL 36 3HG1 VAL 36 17.856 -5.193 -0.301 238 HG21 VAL 36 1HG2 VAL 36 15.444 -4.874 -2.794 239 HG22 VAL 36 2HG2 VAL 36 16.107 -4.298 -1.264 240 HG23 VAL 36 3HG2 VAL 36 16.703 -3.639 -2.788 241 H THR 37 H THR 37 17.450 -6.503 -4.879 242 HA THR 37 HA THR 37 17.956 -4.890 -7.158 243 HB THR 37 HB THR 37 15.789 -6.976 -6.885 244 HG1 THR 37 1HG THR 37 18.348 -7.530 -7.922 245 HG21 THR 37 1HG2 THR 37 17.304 -5.864 -9.247 246 HG22 THR 37 2HG2 THR 37 15.580 -5.698 -8.911 247 HG23 THR 37 3HG2 THR 37 16.251 -7.276 -9.321 248 H TYR 38 H TYR 38 14.888 -5.593 -5.472 249 HA TYR 38 HA TYR 38 14.036 -2.855 -5.730 250 HB2 TYR 38 1HB TYR 38 12.158 -3.190 -7.150 251 HB3 TYR 38 2HB TYR 38 13.530 -3.923 -7.973 252 HD1 TYR 38 2HD TYR 38 13.768 -6.406 -7.990 253 HD2 TYR 38 1HD TYR 38 10.281 -4.489 -6.485 254 HE1 TYR 38 2HE TYR 38 12.533 -8.525 -8.169 255 HE2 TYR 38 1HE TYR 38 9.036 -6.603 -6.658 256 HH TYR 38 HH TYR 38 9.150 -8.710 -7.900 257 H TYR 39 H TYR 39 11.548 -2.802 -5.066 258 HA TYR 39 HA TYR 39 11.177 -4.692 -2.838 259 HB2 TYR 39 1HB TYR 39 10.848 -1.694 -2.834 260 HB3 TYR 39 2HB TYR 39 10.115 -2.725 -1.610 261 HD1 TYR 39 1HD TYR 39 13.437 -2.053 -3.182 262 HD2 TYR 39 2HD TYR 39 11.302 -3.156 0.329 263 HE1 TYR 39 1HE TYR 39 15.535 -2.009 -1.899 264 HE2 TYR 39 2HE TYR 39 13.393 -3.113 1.621 265 HH TYR 39 HH TYR 39 16.233 -3.363 0.533 266 H GLY 40 H GLY 40 9.343 -5.787 -3.004 267 HA2 GLY 40 1HA GLY 40 7.325 -4.991 -4.911 268 HA3 GLY 40 2HA GLY 40 7.323 -6.452 -3.934 269 H ILE 41 H ILE 41 4.989 -5.105 -4.299 270 HA ILE 41 HA ILE 41 4.433 -4.188 -1.580 271 HB ILE 41 HB ILE 41 3.580 -2.659 -4.042 272 HG12 ILE 41 1HG1 ILE 41 5.258 -1.672 -1.738 273 HG13 ILE 41 2HG1 ILE 41 5.972 -2.389 -3.179 274 HG21 ILE 41 1HG2 ILE 41 1.841 -2.003 -2.822 275 HG22 ILE 41 2HG2 ILE 41 2.459 -2.820 -1.387 276 HG23 ILE 41 3HG2 ILE 41 2.985 -1.179 -1.763 277 HD11 ILE 41 1HD1 ILE 41 6.071 -0.186 -3.729 278 HD12 ILE 41 2HD1 ILE 41 4.485 -0.586 -4.389 279 HD13 ILE 41 3HD1 ILE 41 4.612 0.222 -2.827 280 H GLN 42 H GLN 42 2.493 -4.840 -0.805 281 HA GLN 42 HA GLN 42 0.561 -5.995 -2.693 282 HB2 GLN 42 1HB GLN 42 1.581 -7.282 -0.158 283 HB3 GLN 42 2HB GLN 42 0.166 -7.840 -1.040 284 HG2 GLN 42 1HG GLN 42 1.396 -8.696 -2.759 285 HG3 GLN 42 2HG GLN 42 2.723 -7.560 -2.520 286 HE21 GLN 42 1HE2 GLN 42 4.505 -8.480 -1.834 287 HE22 GLN 42 2HE2 GLN 42 4.615 -9.864 -0.807 288 H TYR 43 H TYR 43 -1.537 -5.569 -2.257 289 HA TYR 43 HA TYR 43 -2.313 -4.593 0.373 290 HB2 TYR 43 1HB TYR 43 -3.427 -2.591 -0.614 291 HB3 TYR 43 2HB TYR 43 -1.670 -2.536 -0.712 292 HD1 TYR 43 1HD TYR 43 -0.541 -2.903 -2.886 293 HD2 TYR 43 2HD TYR 43 -4.777 -2.642 -2.585 294 HE1 TYR 43 1HE TYR 43 -0.684 -2.521 -5.311 295 HE2 TYR 43 2HE TYR 43 -4.932 -2.260 -5.010 296 HH TYR 43 HH TYR 43 -2.467 -1.325 -6.884 297 H ARG 44 H ARG 44 -4.564 -4.665 0.756 298 HA ARG 44 HA ARG 44 -6.351 -5.603 -1.304 299 HB2 ARG 44 1HB ARG 44 -5.308 -7.707 -0.672 300 HB3 ARG 44 2HB ARG 44 -5.632 -7.388 1.026 301 HG2 ARG 44 1HG ARG 44 -7.365 -8.777 0.594 302 HG3 ARG 44 2HG ARG 44 -8.125 -7.252 0.132 303 HD2 ARG 44 1HD ARG 44 -7.069 -7.831 -2.212 304 HD3 ARG 44 2HD ARG 44 -7.118 -9.475 -1.575 305 HE ARG 44 HE ARG 44 -9.423 -9.436 -1.703 306 HH11 ARG 44 2HH1 ARG 44 -8.128 -6.266 -2.328 307 HH12 ARG 44 1HH1 ARG 44 -9.629 -5.624 -2.907 308 HH21 ARG 44 2HH2 ARG 44 -11.406 -8.602 -2.463 309 HH22 ARG 44 1HH2 ARG 44 -11.493 -6.953 -2.983 310 H ALA 45 H ALA 45 -8.451 -5.131 -0.855 311 HA ALA 45 HA ALA 45 -9.125 -3.210 0.988 312 HB1 ALA 45 1HB ALA 45 -10.447 -4.493 -1.011 313 HB2 ALA 45 2HB ALA 45 -11.308 -5.080 0.412 314 HB3 ALA 45 3HB ALA 45 -11.184 -3.347 0.108 315 H ALA 46 H ALA 46 -9.131 -3.220 3.129 316 HA ALA 46 HA ALA 46 -8.712 -5.370 4.787 317 HB1 ALA 46 1HB ALA 46 -9.665 -3.947 6.604 318 HB2 ALA 46 2HB ALA 46 -8.446 -3.144 5.613 319 HB3 ALA 46 3HB ALA 46 -10.156 -2.790 5.366 320 H GLY 47 H GLY 47 -9.933 -6.899 5.777 321 HA2 GLY 47 1HA GLY 47 -12.065 -7.641 6.668 322 HA3 GLY 47 2HA GLY 47 -12.849 -6.801 5.339 323 H THR 48 H THR 48 -11.646 -7.632 3.127 324 HA THR 48 HA THR 48 -12.624 -10.279 2.805 325 HB THR 48 HB THR 48 -10.788 -8.928 0.841 326 HG1 THR 48 1HG THR 48 -13.013 -8.147 0.054 327 HG21 THR 48 1HG2 THR 48 -11.949 -10.176 -0.791 328 HG22 THR 48 2HG2 THR 48 -13.259 -10.567 0.324 329 HG23 THR 48 3HG2 THR 48 -11.670 -11.301 0.538 330 H GLU 49 H GLU 49 -11.527 -12.200 2.433 331 HA GLU 49 HA GLU 49 -8.682 -12.188 3.201 332 HB2 GLU 49 1HB GLU 49 -10.642 -14.448 3.617 333 HB3 GLU 49 2HB GLU 49 -8.993 -14.350 4.218 334 HG2 GLU 49 1HG GLU 49 -9.624 -12.472 5.648 335 HG3 GLU 49 2HG GLU 49 -11.279 -12.576 5.049 336 H GLY 50 H GLY 50 -8.572 -11.789 0.759 337 HA2 GLY 50 1HA GLY 50 -8.450 -14.415 -0.590 338 HA3 GLY 50 2HA GLY 50 -9.012 -12.971 -1.419 339 HA PRO 51 HA PRO 51 -4.508 -13.467 -2.345 340 HB2 PRO 51 1HB PRO 51 -4.758 -12.912 -4.991 341 HB3 PRO 51 2HB PRO 51 -4.975 -14.535 -4.325 342 HG2 PRO 51 1HG PRO 51 -7.043 -12.508 -5.083 343 HG3 PRO 51 2HG PRO 51 -7.026 -14.255 -5.384 344 HD2 PRO 51 1HD PRO 51 -8.460 -13.137 -3.378 345 HD3 PRO 51 2HD PRO 51 -7.745 -14.757 -3.253 346 H PHE 52 H PHE 52 -3.594 -11.681 -1.495 347 HA PHE 52 HA PHE 52 -4.514 -9.040 -1.935 348 HB2 PHE 52 1HB PHE 52 -2.051 -10.235 -0.711 349 HB3 PHE 52 2HB PHE 52 -2.131 -8.500 -1.001 350 HD1 PHE 52 2HD PHE 52 -4.681 -10.948 0.182 351 HD2 PHE 52 1HD PHE 52 -2.421 -7.439 1.016 352 HE1 PHE 52 2HE PHE 52 -5.917 -10.657 2.289 353 HE2 PHE 52 1HE PHE 52 -3.653 -7.143 3.125 354 HZ PHE 52 HZ PHE 52 -5.404 -8.753 3.764 355 H GLN 53 H GLN 53 -3.782 -7.428 -3.270 356 HA GLN 53 HA GLN 53 -2.895 -8.068 -5.812 357 HB2 GLN 53 1HB GLN 53 -2.834 -5.488 -4.264 358 HB3 GLN 53 2HB GLN 53 -2.262 -5.582 -5.924 359 HG2 GLN 53 1HG GLN 53 -5.010 -6.477 -5.121 360 HG3 GLN 53 2HG GLN 53 -4.646 -4.810 -5.566 361 HE21 GLN 53 1HE2 GLN 53 -6.234 -7.114 -6.788 362 HE22 GLN 53 2HE2 GLN 53 -5.721 -7.129 -8.438 363 H GLU 54 H GLU 54 -0.867 -7.257 -6.873 364 HA GLU 54 HA GLU 54 1.480 -7.372 -5.126 365 HB2 GLU 54 1HB GLU 54 1.104 -9.666 -5.915 366 HB3 GLU 54 2HB GLU 54 1.108 -9.100 -7.579 367 HG2 GLU 54 1HG GLU 54 3.460 -8.699 -5.765 368 HG3 GLU 54 2HG GLU 54 3.233 -10.181 -6.693 369 H VAL 55 H VAL 55 3.217 -6.192 -5.828 370 HA VAL 55 HA VAL 55 3.121 -4.996 -8.496 371 HB VAL 55 HB VAL 55 3.387 -3.367 -5.965 372 HG11 VAL 55 1HG1 VAL 55 3.451 -2.453 -8.838 373 HG12 VAL 55 2HG1 VAL 55 3.600 -1.437 -7.403 374 HG13 VAL 55 3HG1 VAL 55 4.863 -2.606 -7.793 375 HG21 VAL 55 1HG2 VAL 55 1.171 -3.828 -7.897 376 HG22 VAL 55 2HG2 VAL 55 1.118 -3.624 -6.146 377 HG23 VAL 55 3HG2 VAL 55 1.351 -2.222 -7.191 378 H ASP 56 H ASP 56 5.077 -4.822 -9.418 379 HA ASP 56 HA ASP 56 7.460 -4.987 -7.705 380 HB2 ASP 56 1HB ASP 56 8.500 -6.586 -9.195 381 HB3 ASP 56 2HB ASP 56 6.951 -7.228 -8.656 382 H GLY 57 H GLY 57 9.147 -3.716 -8.304 383 HA2 GLY 57 1HA GLY 57 10.389 -2.679 -10.178 384 HA3 GLY 57 2HA GLY 57 8.825 -2.201 -10.822 385 H VAL 58 H VAL 58 9.882 -2.040 -7.455 386 HA VAL 58 HA VAL 58 9.619 0.893 -7.608 387 HB VAL 58 HB VAL 58 9.183 -0.779 -5.135 388 HG11 VAL 58 1HG1 VAL 58 9.693 1.869 -5.327 389 HG12 VAL 58 2HG1 VAL 58 7.933 1.866 -5.447 390 HG13 VAL 58 3HG1 VAL 58 8.723 1.139 -4.048 391 HG21 VAL 58 1HG2 VAL 58 6.715 0.124 -5.794 392 HG22 VAL 58 2HG2 VAL 58 7.388 -0.201 -7.391 393 HG23 VAL 58 3HG2 VAL 58 7.321 -1.486 -6.185 394 H ALA 59 H ALA 59 11.827 1.204 -8.062 395 HA ALA 59 HA ALA 59 13.812 0.205 -6.198 396 HB1 ALA 59 1HB ALA 59 14.675 2.208 -8.149 397 HB2 ALA 59 2HB ALA 59 15.313 0.598 -7.814 398 HB3 ALA 59 3HB ALA 59 13.904 0.789 -8.858 399 H THR 60 H THR 60 11.830 1.953 -5.095 400 HA THR 60 HA THR 60 13.604 4.057 -4.091 401 HB THR 60 HB THR 60 11.508 5.574 -4.043 402 HG1 THR 60 1HG THR 60 9.913 4.237 -4.757 403 HG21 THR 60 1HG2 THR 60 11.975 6.360 -6.369 404 HG22 THR 60 2HG2 THR 60 12.981 4.929 -6.598 405 HG23 THR 60 3HG2 THR 60 13.421 6.132 -5.386 406 H THR 61 H THR 61 12.729 5.070 -2.079 407 HA THR 61 HA THR 61 11.573 2.981 -0.393 408 HB THR 61 HB THR 61 12.231 4.515 1.495 409 HG1 THR 61 1HG THR 61 12.409 6.493 0.537 410 HG21 THR 61 1HG2 THR 61 14.818 4.263 0.762 411 HG22 THR 61 2HG2 THR 61 14.059 3.152 -0.378 412 HG23 THR 61 3HG2 THR 61 13.835 2.925 1.356 413 H ARG 62 H ARG 62 10.135 4.936 -2.303 414 HA ARG 62 HA ARG 62 7.928 5.458 -0.486 415 HB2 ARG 62 1HB ARG 62 9.496 7.510 -0.620 416 HB3 ARG 62 2HB ARG 62 8.860 7.707 -2.248 417 HG2 ARG 62 1HG ARG 62 6.796 8.335 -1.519 418 HG3 ARG 62 2HG ARG 62 6.919 7.403 -0.025 419 HD2 ARG 62 1HD ARG 62 7.125 9.530 0.799 420 HD3 ARG 62 2HD ARG 62 8.819 9.136 0.515 421 HE ARG 62 HE ARG 62 8.880 10.823 -1.010 422 HH11 ARG 62 2HH1 ARG 62 5.574 9.796 -0.640 423 HH12 ARG 62 1HH1 ARG 62 4.939 11.020 -1.688 424 HH21 ARG 62 2HH2 ARG 62 8.055 12.440 -2.392 425 HH22 ARG 62 1HH2 ARG 62 6.351 12.523 -2.685 426 H TYR 63 H TYR 63 6.221 4.596 -1.448 427 HA TYR 63 HA TYR 63 5.816 5.061 -4.315 428 HB2 TYR 63 1HB TYR 63 6.774 2.818 -4.119 429 HB3 TYR 63 2HB TYR 63 5.539 2.377 -2.945 430 HD1 TYR 63 1HD TYR 63 6.240 3.001 -6.485 431 HD2 TYR 63 2HD TYR 63 3.258 1.921 -3.648 432 HE1 TYR 63 1HE TYR 63 4.783 2.241 -8.315 433 HE2 TYR 63 2HE TYR 63 1.793 1.158 -5.470 434 HH TYR 63 HH TYR 63 2.708 1.571 -8.859 435 H SER 64 H SER 64 3.670 5.170 -4.974 436 HA SER 64 HA SER 64 1.708 5.301 -2.778 437 HB2 SER 64 1HB SER 64 0.556 7.041 -3.988 438 HB3 SER 64 2HB SER 64 2.260 7.484 -3.884 439 HG SER 64 HG SER 64 2.235 6.232 -6.062 440 H ILE 65 H ILE 65 -0.278 4.349 -3.033 441 HA ILE 65 HA ILE 65 -0.528 2.549 -5.345 442 HB ILE 65 HB ILE 65 -1.853 2.373 -2.637 443 HG12 ILE 65 1HG1 ILE 65 -0.385 0.147 -2.793 444 HG13 ILE 65 2HG1 ILE 65 0.600 1.176 -3.827 445 HG21 ILE 65 1HG2 ILE 65 -2.921 1.434 -4.900 446 HG22 ILE 65 2HG2 ILE 65 -1.851 0.088 -4.512 447 HG23 ILE 65 3HG2 ILE 65 -3.075 0.604 -3.351 448 HD11 ILE 65 1HD1 ILE 65 1.136 1.038 -1.315 449 HD12 ILE 65 2HD1 ILE 65 1.126 2.619 -2.098 450 HD13 ILE 65 3HD1 ILE 65 -0.250 2.111 -1.120 451 H GLY 66 H GLY 66 -2.254 2.648 -6.681 452 HA2 GLY 66 1HA GLY 66 -4.417 4.527 -5.963 453 HA3 GLY 66 2HA GLY 66 -3.685 4.536 -7.560 454 H GLY 67 H GLY 67 -6.302 4.281 -7.594 455 HA2 GLY 67 1HA GLY 67 -7.821 2.926 -8.722 456 HA3 GLY 67 2HA GLY 67 -6.676 1.597 -8.614 457 H LEU 68 H LEU 68 -7.615 3.413 -5.792 458 HA LEU 68 HA LEU 68 -8.995 1.019 -4.790 459 HB2 LEU 68 1HB LEU 68 -7.901 3.314 -3.179 460 HB3 LEU 68 2HB LEU 68 -8.468 1.758 -2.578 461 HG LEU 68 HG LEU 68 -6.051 2.059 -4.351 462 HD11 LEU 68 1HD1 LEU 68 -6.375 2.464 -1.443 463 HD12 LEU 68 2HD1 LEU 68 -5.186 3.133 -2.561 464 HD13 LEU 68 3HD1 LEU 68 -5.001 1.486 -1.959 465 HD21 LEU 68 1HD2 LEU 68 -6.575 -0.154 -4.477 466 HD22 LEU 68 2HD2 LEU 68 -7.391 -0.167 -2.913 467 HD23 LEU 68 3HD2 LEU 68 -5.628 -0.172 -2.989 468 H SER 69 H SER 69 -10.638 1.663 -2.971 469 HA SER 69 HA SER 69 -12.524 3.512 -4.226 470 HB2 SER 69 1HB SER 69 -13.228 1.173 -3.638 471 HB3 SER 69 2HB SER 69 -13.024 1.596 -1.938 472 HG SER 69 HG SER 69 -15.203 1.830 -2.793 473 HA PRO 70 HA PRO 70 -11.866 6.654 -1.212 474 HB2 PRO 70 1HB PRO 70 -14.233 7.961 -1.445 475 HB3 PRO 70 2HB PRO 70 -12.958 8.060 -2.664 476 HG2 PRO 70 1HG PRO 70 -15.432 6.374 -2.643 477 HG3 PRO 70 2HG PRO 70 -14.717 7.296 -3.979 478 HD2 PRO 70 1HD PRO 70 -14.393 4.620 -3.717 479 HD3 PRO 70 2HD PRO 70 -13.149 5.668 -4.429 480 H PHE 71 H PHE 71 -12.251 7.015 0.925 481 HA PHE 71 HA PHE 71 -13.025 6.680 3.036 482 HB2 PHE 71 1HB PHE 71 -15.158 7.530 1.737 483 HB3 PHE 71 2HB PHE 71 -15.718 5.883 2.007 484 HD1 PHE 71 2HD PHE 71 -13.875 8.387 4.076 485 HD2 PHE 71 1HD PHE 71 -17.216 5.772 3.732 486 HE1 PHE 71 2HE PHE 71 -14.592 9.010 6.346 487 HE2 PHE 71 1HE PHE 71 -17.939 6.391 6.001 488 HZ PHE 71 HZ PHE 71 -16.625 8.011 7.312 489 H SER 72 H SER 72 -11.747 4.524 1.792 490 HA SER 72 HA SER 72 -13.141 2.247 3.039 491 HB2 SER 72 1HB SER 72 -12.312 0.779 1.315 492 HB3 SER 72 2HB SER 72 -13.120 2.137 0.532 493 HG SER 72 HG SER 72 -10.864 3.058 0.508 494 H GLU 73 H GLU 73 -11.631 0.451 3.639 495 HA GLU 73 HA GLU 73 -9.075 1.558 4.602 496 HB2 GLU 73 1HB GLU 73 -11.009 0.860 6.250 497 HB3 GLU 73 2HB GLU 73 -10.396 -0.760 5.951 498 HG2 GLU 73 1HG GLU 73 -8.316 -0.274 6.895 499 HG3 GLU 73 2HG GLU 73 -8.583 1.466 6.807 500 H TYR 74 H TYR 74 -7.263 0.552 4.006 501 HA TYR 74 HA TYR 74 -7.438 -2.203 2.998 502 HB2 TYR 74 1HB TYR 74 -6.285 0.200 1.625 503 HB3 TYR 74 2HB TYR 74 -5.609 -1.395 1.314 504 HD1 TYR 74 1HD TYR 74 -8.830 0.476 1.282 505 HD2 TYR 74 2HD TYR 74 -6.585 -2.779 -0.287 506 HE1 TYR 74 1HE TYR 74 -10.606 0.054 -0.366 507 HE2 TYR 74 2HE TYR 74 -8.354 -3.210 -1.940 508 HH TYR 74 HH TYR 74 -10.767 -1.035 -2.660 509 H ALA 75 H ALA 75 -5.359 -3.328 2.961 510 HA ALA 75 HA ALA 75 -3.548 -2.320 5.057 511 HB1 ALA 75 1HB ALA 75 -3.206 -5.109 4.743 512 HB2 ALA 75 2HB ALA 75 -3.865 -4.236 6.126 513 HB3 ALA 75 3HB ALA 75 -4.938 -4.794 4.844 514 H PHE 76 H PHE 76 -1.704 -1.610 4.220 515 HA PHE 76 HA PHE 76 -0.679 -2.820 1.758 516 HB2 PHE 76 1HB PHE 76 0.260 -0.315 3.168 517 HB3 PHE 76 2HB PHE 76 0.733 -0.856 1.561 518 HD1 PHE 76 2HD PHE 76 -2.063 0.456 3.574 519 HD2 PHE 76 1HD PHE 76 -0.606 -0.404 -0.332 520 HE1 PHE 76 2HE PHE 76 -3.930 1.728 2.601 521 HE2 PHE 76 1HE PHE 76 -2.471 0.869 -1.311 522 HZ PHE 76 HZ PHE 76 -4.137 1.935 0.156 523 H ARG 77 H ARG 77 1.502 -3.489 1.577 524 HA ARG 77 HA ARG 77 3.135 -3.671 3.956 525 HB2 ARG 77 1HB ARG 77 3.296 -6.081 3.990 526 HB3 ARG 77 2HB ARG 77 1.607 -5.617 4.148 527 HG2 ARG 77 1HG ARG 77 1.151 -6.213 1.889 528 HG3 ARG 77 2HG ARG 77 2.867 -6.438 1.544 529 HD2 ARG 77 1HD ARG 77 2.241 -8.612 1.867 530 HD3 ARG 77 2HD ARG 77 2.685 -8.176 3.516 531 HE ARG 77 HE ARG 77 -0.023 -7.611 3.192 532 HH11 ARG 77 2HH1 ARG 77 2.093 -10.375 3.209 533 HH12 ARG 77 1HH1 ARG 77 0.878 -11.466 3.790 534 HH21 ARG 77 2HH2 ARG 77 -1.632 -9.037 3.956 535 HH22 ARG 77 1HH2 ARG 77 -1.241 -10.703 4.213 536 H VAL 78 H VAL 78 5.250 -3.655 3.458 537 HA VAL 78 HA VAL 78 5.970 -3.983 0.621 538 HB VAL 78 HB VAL 78 7.505 -2.444 2.716 539 HG11 VAL 78 1HG1 VAL 78 7.731 -2.227 -0.272 540 HG12 VAL 78 2HG1 VAL 78 8.851 -1.648 0.963 541 HG13 VAL 78 3HG1 VAL 78 8.687 -3.378 0.661 542 HG21 VAL 78 1HG2 VAL 78 6.011 -1.084 0.535 543 HG22 VAL 78 2HG2 VAL 78 5.106 -1.650 1.940 544 HG23 VAL 78 3HG2 VAL 78 6.433 -0.506 2.147 545 H LEU 79 H LEU 79 7.829 -5.130 0.060 546 HA LEU 79 HA LEU 79 9.270 -6.538 2.172 547 HB2 LEU 79 1HB LEU 79 8.945 -8.699 1.204 548 HB3 LEU 79 2HB LEU 79 7.368 -7.973 1.507 549 HG LEU 79 HG LEU 79 8.620 -7.847 -1.214 550 HD11 LEU 79 1HD1 LEU 79 7.542 -9.899 -1.828 551 HD12 LEU 79 2HD1 LEU 79 6.864 -10.080 -0.210 552 HD13 LEU 79 3HD1 LEU 79 8.605 -10.210 -0.456 553 HD21 LEU 79 1HD2 LEU 79 6.340 -7.612 -1.943 554 HD22 LEU 79 2HD2 LEU 79 6.654 -6.441 -0.662 555 HD23 LEU 79 3HD2 LEU 79 5.745 -7.911 -0.310 556 H ALA 80 H ALA 80 11.365 -7.032 1.662 557 HA ALA 80 HA ALA 80 12.478 -5.700 -0.632 558 HB1 ALA 80 1HB ALA 80 13.765 -5.514 1.321 559 HB2 ALA 80 2HB ALA 80 13.674 -7.245 1.649 560 HB3 ALA 80 3HB ALA 80 14.647 -6.652 0.302 561 H VAL 81 H VAL 81 13.328 -6.586 -2.454 562 HA VAL 81 HA VAL 81 13.268 -9.517 -2.712 563 HB VAL 81 HB VAL 81 12.424 -7.668 -4.938 564 HG11 VAL 81 1HG1 VAL 81 12.960 -9.637 -5.965 565 HG12 VAL 81 2HG1 VAL 81 12.589 -10.610 -4.541 566 HG13 VAL 81 3HG1 VAL 81 11.282 -9.973 -5.540 567 HG21 VAL 81 1HG2 VAL 81 10.491 -9.287 -3.322 568 HG22 VAL 81 2HG2 VAL 81 10.943 -7.659 -2.818 569 HG23 VAL 81 3HG2 VAL 81 10.180 -7.916 -4.387 570 H ASN 82 H ASN 82 14.809 -10.423 -4.079 571 HA ASN 82 HA ASN 82 16.642 -8.726 -5.536 572 HB2 ASN 82 1HB ASN 82 18.640 -9.401 -4.350 573 HB3 ASN 82 2HB ASN 82 17.516 -8.679 -3.202 574 HD21 ASN 82 1HD2 ASN 82 18.589 -9.748 -1.511 575 HD22 ASN 82 2HD2 ASN 82 18.340 -11.432 -1.212 576 H SER 83 H SER 83 18.601 -10.301 -6.244 577 HA SER 83 HA SER 83 17.579 -12.066 -8.091 578 HB2 SER 83 1HB SER 83 20.294 -12.122 -6.754 579 HB3 SER 83 2HB SER 83 19.877 -13.030 -8.208 580 HG SER 83 HG SER 83 20.109 -11.277 -9.337 581 H ILE 84 H ILE 84 18.346 -12.619 -4.728 582 HA ILE 84 HA ILE 84 18.238 -15.461 -4.820 583 HB ILE 84 HB ILE 84 17.633 -13.816 -2.376 584 HG12 ILE 84 1HG1 ILE 84 19.615 -12.817 -3.327 585 HG13 ILE 84 2HG1 ILE 84 20.096 -13.812 -1.957 586 HG21 ILE 84 1HG2 ILE 84 18.372 -15.660 -1.158 587 HG22 ILE 84 2HG2 ILE 84 17.460 -16.377 -2.485 588 HG23 ILE 84 3HG2 ILE 84 19.222 -16.352 -2.539 589 HD11 ILE 84 1HD1 ILE 84 21.503 -13.920 -4.083 590 HD12 ILE 84 2HD1 ILE 84 21.037 -15.443 -3.324 591 HD13 ILE 84 3HD1 ILE 84 20.178 -14.871 -4.755 592 H GLY 85 H GLY 85 15.882 -12.955 -3.928 593 HA2 GLY 85 1HA GLY 85 13.615 -13.915 -4.954 594 HA3 GLY 85 2HA GLY 85 13.806 -14.960 -3.554 595 H ARG 86 H ARG 86 11.567 -13.505 -3.655 596 HA ARG 86 HA ARG 86 11.877 -10.969 -2.327 597 HB2 ARG 86 1HB ARG 86 9.370 -11.056 -2.200 598 HB3 ARG 86 2HB ARG 86 10.029 -11.175 -3.826 599 HG2 ARG 86 1HG ARG 86 9.675 -13.569 -3.829 600 HG3 ARG 86 2HG ARG 86 9.097 -13.505 -2.163 601 HD2 ARG 86 1HD ARG 86 7.240 -12.066 -2.879 602 HD3 ARG 86 2HD ARG 86 7.815 -12.166 -4.543 603 HE ARG 86 HE ARG 86 7.480 -14.759 -3.839 604 HH11 ARG 86 2HH1 ARG 86 5.428 -11.949 -3.710 605 HH12 ARG 86 1HH1 ARG 86 3.963 -12.849 -3.923 606 HH21 ARG 86 2HH2 ARG 86 5.557 -15.954 -4.119 607 HH22 ARG 86 1HH2 ARG 86 4.037 -15.127 -4.154 608 H GLY 87 H GLY 87 12.218 -10.735 -0.223 609 HA2 GLY 87 1HA GLY 87 12.030 -12.933 1.595 610 HA3 GLY 87 2HA GLY 87 12.430 -11.273 2.008 611 HA PRO 88 HA PRO 88 8.206 -12.364 3.686 612 HB2 PRO 88 1HB PRO 88 8.757 -11.690 6.258 613 HB3 PRO 88 2HB PRO 88 9.054 -13.305 5.603 614 HG2 PRO 88 1HG PRO 88 10.975 -11.046 6.018 615 HG3 PRO 88 2HG PRO 88 11.189 -12.774 6.356 616 HD2 PRO 88 1HD PRO 88 12.203 -11.585 4.145 617 HD3 PRO 88 2HD PRO 88 11.658 -13.275 4.156 618 HA PRO 89 HA PRO 89 6.947 -8.140 3.458 619 HB2 PRO 89 1HB PRO 89 4.488 -8.370 4.584 620 HB3 PRO 89 2HB PRO 89 4.856 -8.948 2.955 621 HG2 PRO 89 1HG PRO 89 4.690 -10.486 5.517 622 HG3 PRO 89 2HG PRO 89 4.067 -10.914 3.913 623 HD2 PRO 89 1HD PRO 89 6.374 -11.933 4.899 624 HD3 PRO 89 2HD PRO 89 6.125 -11.634 3.167 625 H SER 90 H SER 90 6.359 -6.317 4.794 626 HA SER 90 HA SER 90 7.426 -6.579 7.502 627 HB2 SER 90 1HB SER 90 8.434 -4.816 6.218 628 HB3 SER 90 2HB SER 90 6.857 -4.171 5.763 629 HG SER 90 HG SER 90 7.107 -2.959 7.459 630 H GLU 91 H GLU 91 6.367 -5.261 9.231 631 HA GLU 91 HA GLU 91 3.931 -6.129 9.955 632 HB2 GLU 91 1HB GLU 91 3.664 -4.019 11.287 633 HB3 GLU 91 2HB GLU 91 5.214 -4.823 11.490 634 HG2 GLU 91 1HG GLU 91 6.063 -3.212 9.687 635 HG3 GLU 91 2HG GLU 91 4.590 -2.299 10.009 636 H ALA 92 H ALA 92 2.203 -6.272 8.661 637 HA ALA 92 HA ALA 92 1.489 -4.577 6.587 638 HB1 ALA 92 1HB ALA 92 -0.870 -5.521 7.025 639 HB2 ALA 92 2HB ALA 92 0.422 -6.641 6.591 640 HB3 ALA 92 3HB ALA 92 -0.084 -6.487 8.274 641 H VAL 93 H VAL 93 0.694 -2.584 6.499 642 HA VAL 93 HA VAL 93 -0.396 -1.404 8.966 643 HB VAL 93 HB VAL 93 0.261 0.743 8.181 644 HG11 VAL 93 1HG1 VAL 93 2.567 -1.009 7.385 645 HG12 VAL 93 2HG1 VAL 93 2.600 0.559 8.195 646 HG13 VAL 93 3HG1 VAL 93 2.032 -0.870 9.060 647 HG21 VAL 93 1HG2 VAL 93 1.180 1.172 5.991 648 HG22 VAL 93 2HG2 VAL 93 1.090 -0.540 5.579 649 HG23 VAL 93 3HG2 VAL 93 -0.390 0.388 5.818 650 H ARG 94 H ARG 94 -2.358 -0.385 8.971 651 HA ARG 94 HA ARG 94 -3.994 -0.748 6.552 652 HB2 ARG 94 1HB ARG 94 -4.682 -0.725 9.480 653 HB3 ARG 94 2HB ARG 94 -5.914 -0.473 8.251 654 HG2 ARG 94 1HG ARG 94 -5.051 -2.673 7.237 655 HG3 ARG 94 2HG ARG 94 -4.286 -2.919 8.808 656 HD2 ARG 94 1HD ARG 94 -6.638 -2.390 9.757 657 HD3 ARG 94 2HD ARG 94 -7.195 -2.749 8.124 658 HE ARG 94 HE ARG 94 -5.510 -4.813 9.093 659 HH11 ARG 94 2HH1 ARG 94 -8.725 -3.510 9.389 660 HH12 ARG 94 1HH1 ARG 94 -9.437 -5.022 9.844 661 HH21 ARG 94 2HH2 ARG 94 -6.436 -6.810 9.691 662 HH22 ARG 94 1HH2 ARG 94 -8.134 -6.899 10.016 663 H ALA 95 H ALA 95 -4.462 1.024 5.446 664 HA ALA 95 HA ALA 95 -4.672 3.580 6.899 665 HB1 ALA 95 1HB ALA 95 -3.802 3.500 4.044 666 HB2 ALA 95 2HB ALA 95 -3.489 4.718 5.281 667 HB3 ALA 95 3HB ALA 95 -2.634 3.176 5.325 668 H ARG 96 H ARG 96 -6.515 4.673 6.629 669 HA ARG 96 HA ARG 96 -8.508 3.590 4.801 670 HB2 ARG 96 1HB ARG 96 -8.816 4.314 7.325 671 HB3 ARG 96 2HB ARG 96 -9.060 5.901 6.609 672 HG2 ARG 96 1HG ARG 96 -10.943 5.154 5.379 673 HG3 ARG 96 2HG ARG 96 -10.604 3.466 5.764 674 HD2 ARG 96 1HD ARG 96 -10.885 4.194 8.217 675 HD3 ARG 96 2HD ARG 96 -11.654 5.633 7.550 676 HE ARG 96 HE ARG 96 -12.866 3.429 6.371 677 HH11 ARG 96 2HH1 ARG 96 -12.522 4.822 9.543 678 HH12 ARG 96 1HH1 ARG 96 -14.039 4.214 10.118 679 HH21 ARG 96 2HH2 ARG 96 -14.866 2.622 7.116 680 HH22 ARG 96 1HH2 ARG 96 -15.371 2.962 8.736 681 H THR 97 H THR 97 -8.747 4.410 2.840 682 HA THR 97 HA THR 97 -7.443 6.735 1.932 683 HB THR 97 HB THR 97 -8.690 6.459 -0.142 684 HG1 THR 97 1HG THR 97 -10.712 5.876 0.948 685 HG21 THR 97 1HG2 THR 97 -7.192 4.359 1.147 686 HG22 THR 97 2HG2 THR 97 -7.185 4.862 -0.543 687 HG23 THR 97 3HG2 THR 97 -8.368 3.683 0.021 688 H GLY 98 H GLY 98 -8.337 8.727 1.187 689 HA2 GLY 98 1HA GLY 98 -10.188 9.887 3.003 690 HA3 GLY 98 2HA GLY 98 -9.533 10.654 1.564 691 H GLU 99 H GLU 99 -12.118 11.141 2.282 692 HA GLU 99 HA GLU 99 -13.769 9.433 0.564 693 HB2 GLU 99 1HB GLU 99 -15.687 10.561 1.617 694 HB3 GLU 99 2HB GLU 99 -14.634 9.808 2.806 695 HG2 GLU 99 1HG GLU 99 -15.342 11.958 3.603 696 HG3 GLU 99 2HG GLU 99 -13.614 12.000 3.258 697 H GLN 100 H GLN 100 -15.351 10.486 -0.859 698 HA GLN 100 HA GLN 100 -15.004 13.213 -1.627 699 HB2 GLN 100 1HB GLN 100 -12.987 12.285 -2.657 700 HB3 GLN 100 2HB GLN 100 -13.955 11.079 -3.494 701 HG2 GLN 100 1HG GLN 100 -13.505 12.718 -5.094 702 HG3 GLN 100 2HG GLN 100 -15.166 13.019 -4.585 703 HE21 GLN 100 1HE2 GLN 100 -14.687 15.137 -5.555 704 HE22 GLN 100 2HE2 GLN 100 -13.951 16.345 -4.562 705 H SER 101 H SER 101 -16.532 13.899 -3.187 706 HA SER 101 HA SER 101 -19.041 12.839 -3.037 707 HB2 SER 101 1HB SER 101 -17.929 14.280 -5.456 708 HB3 SER 101 2HB SER 101 -19.626 14.168 -4.992 709 HG SER 101 HG SER 101 -18.352 16.137 -4.378 710 H GLY 102 H GLY 102 -19.667 10.828 -3.474 711 HA2 GLY 102 1HA GLY 102 -19.390 9.797 -6.157 712 HA3 GLY 102 2HA GLY 102 -18.477 8.896 -4.956 713 HA PRO 103 HA PRO 103 -22.075 6.478 -4.239 714 HB2 PRO 103 1HB PRO 103 -21.476 5.525 -1.769 715 HB3 PRO 103 2HB PRO 103 -20.673 4.957 -3.238 716 HG2 PRO 103 1HG PRO 103 -19.734 6.956 -1.217 717 HG3 PRO 103 2HG PRO 103 -18.826 5.656 -2.010 718 HD2 PRO 103 1HD PRO 103 -18.664 8.240 -2.803 719 HD3 PRO 103 2HD PRO 103 -18.509 6.881 -3.936 720 H SER 104 H SER 104 -21.110 9.005 -2.042 721 HA SER 104 HA SER 104 -23.799 9.028 -0.850 722 HB2 SER 104 1HB SER 104 -21.156 10.119 0.111 723 HB3 SER 104 2HB SER 104 -22.689 10.604 0.835 724 HG SER 104 HG SER 104 -21.586 8.779 1.851 725 H SER 105 H SER 105 -25.100 10.286 -2.027 726 HA SER 105 HA SER 105 -24.056 12.838 -3.047 727 HB2 SER 105 1HB SER 105 -26.370 11.101 -3.891 728 HB3 SER 105 2HB SER 105 -26.237 12.781 -4.412 729 HG SER 105 HG SER 105 -24.149 12.219 -5.260 730 H GLY 106 H GLY 106 -26.994 11.477 -1.548 731 HA2 GLY 106 1HA GLY 106 -28.661 12.507 -0.329 732 HA3 GLY 106 2HA GLY 106 -27.296 13.200 0.534 Start of MODEL 11 1 H1 GLY 1 H GLY 1 12.089 -21.438 14.653 2 HA2 GLY 1 1HA GLY 1 9.609 -21.722 14.006 3 HA3 GLY 1 2HA GLY 1 9.454 -20.129 14.732 4 H SER 2 H SER 2 11.626 -21.739 12.403 5 HA SER 2 HA SER 2 11.079 -19.576 10.503 6 HB2 SER 2 1HB SER 2 13.486 -19.378 9.972 7 HB3 SER 2 2HB SER 2 13.145 -18.929 11.643 8 HG SER 2 HG SER 2 14.754 -20.872 10.699 9 H SER 3 H SER 3 10.592 -20.364 8.570 10 HA SER 3 HA SER 3 10.605 -23.116 7.997 11 HB2 SER 3 1HB SER 3 10.374 -20.768 6.099 12 HB3 SER 3 2HB SER 3 9.975 -22.439 5.703 13 HG SER 3 HG SER 3 8.530 -22.200 7.668 14 H GLY 4 H GLY 4 12.710 -20.489 6.850 15 HA2 GLY 4 1HA GLY 4 15.141 -21.299 6.854 16 HA3 GLY 4 2HA GLY 4 14.535 -22.530 5.756 17 H SER 5 H SER 5 14.171 -18.993 6.060 18 HA SER 5 HA SER 5 14.556 -18.784 3.161 19 HB2 SER 5 1HB SER 5 13.440 -16.826 5.180 20 HB3 SER 5 2HB SER 5 13.679 -16.453 3.473 21 HG SER 5 HG SER 5 12.233 -18.750 4.138 22 H SER 6 H SER 6 16.395 -18.045 2.342 23 HA SER 6 HA SER 6 18.297 -16.721 4.157 24 HB2 SER 6 1HB SER 6 20.028 -17.453 2.476 25 HB3 SER 6 2HB SER 6 19.212 -18.774 3.311 26 HG SER 6 HG SER 6 18.155 -17.862 0.886 27 H GLY 7 H GLY 7 16.095 -15.430 2.672 28 HA2 GLY 7 1HA GLY 7 17.475 -13.892 0.612 29 HA3 GLY 7 2HA GLY 7 15.765 -13.803 1.008 30 HA PRO 8 HA PRO 8 17.810 -10.001 2.675 31 HB2 PRO 8 1HB PRO 8 15.881 -8.303 1.800 32 HB3 PRO 8 2HB PRO 8 17.249 -8.802 0.797 33 HG2 PRO 8 1HG PRO 8 14.439 -9.834 0.818 34 HG3 PRO 8 2HG PRO 8 15.484 -9.464 -0.565 35 HD2 PRO 8 1HD PRO 8 15.097 -11.989 0.333 36 HD3 PRO 8 2HD PRO 8 16.626 -11.459 -0.397 37 H LYS 9 H LYS 9 16.343 -8.088 3.779 38 HA LYS 9 HA LYS 9 14.616 -9.503 5.702 39 HB2 LYS 9 1HB LYS 9 16.546 -7.227 6.028 40 HB3 LYS 9 2HB LYS 9 15.222 -7.437 7.166 41 HG2 LYS 9 1HG LYS 9 16.181 -9.917 7.215 42 HG3 LYS 9 2HG LYS 9 17.660 -9.064 6.764 43 HD2 LYS 9 1HD LYS 9 17.839 -8.925 9.033 44 HD3 LYS 9 2HD LYS 9 16.889 -7.466 8.739 45 HE2 LYS 9 1HE LYS 9 15.638 -8.406 10.400 46 HE3 LYS 9 2HE LYS 9 14.875 -9.158 9.000 47 HZ1 LYS 9 1HZ LYS 9 15.919 -10.471 11.137 48 HZ2 LYS 9 2HZ LYS 9 17.128 -10.640 9.968 49 HZ3 LYS 9 3HZ LYS 9 15.554 -11.164 9.638 50 HA PRO 10 HA PRO 10 11.200 -6.948 4.674 51 HB2 PRO 10 1HB PRO 10 10.024 -6.582 7.093 52 HB3 PRO 10 2HB PRO 10 9.986 -8.124 6.230 53 HG2 PRO 10 1HG PRO 10 11.767 -7.251 8.472 54 HG3 PRO 10 2HG PRO 10 10.946 -8.805 8.236 55 HD2 PRO 10 1HD PRO 10 13.568 -8.442 7.667 56 HD3 PRO 10 2HD PRO 10 12.540 -9.565 6.754 57 HA PRO 11 HA PRO 11 12.377 -2.731 5.245 58 HB2 PRO 11 1HB PRO 11 10.062 -1.544 4.468 59 HB3 PRO 11 2HB PRO 11 11.185 -2.298 3.330 60 HG2 PRO 11 1HG PRO 11 8.656 -3.391 4.500 61 HG3 PRO 11 2HG PRO 11 9.246 -3.481 2.831 62 HD2 PRO 11 1HD PRO 11 9.475 -5.544 4.569 63 HD3 PRO 11 2HD PRO 11 10.671 -5.232 3.295 64 H ILE 12 H ILE 12 11.996 -0.923 6.588 65 HA ILE 12 HA ILE 12 10.061 -1.385 8.763 66 HB ILE 12 HB ILE 12 11.626 -0.244 10.293 67 HG12 ILE 12 1HG1 ILE 12 13.641 -0.491 8.052 68 HG13 ILE 12 2HG1 ILE 12 12.832 1.012 8.481 69 HG21 ILE 12 1HG2 ILE 12 12.259 -2.298 10.837 70 HG22 ILE 12 2HG2 ILE 12 11.843 -2.856 9.218 71 HG23 ILE 12 3HG2 ILE 12 13.472 -2.273 9.558 72 HD11 ILE 12 1HD1 ILE 12 15.211 0.007 9.521 73 HD12 ILE 12 2HD1 ILE 12 14.294 1.401 10.093 74 HD13 ILE 12 3HD1 ILE 12 14.018 -0.189 10.804 75 H ASP 13 H ASP 13 9.973 0.844 10.099 76 HA ASP 13 HA ASP 13 9.085 2.938 10.142 77 HB2 ASP 13 1HB ASP 13 11.457 3.241 9.006 78 HB3 ASP 13 2HB ASP 13 10.481 3.662 7.602 79 H LEU 14 H LEU 14 7.642 0.877 8.738 80 HA LEU 14 HA LEU 14 6.528 1.954 6.340 81 HB2 LEU 14 1HB LEU 14 6.619 -0.504 7.270 82 HB3 LEU 14 2HB LEU 14 5.080 -0.053 8.001 83 HG LEU 14 HG LEU 14 4.264 0.525 5.698 84 HD11 LEU 14 1HD1 LEU 14 5.687 0.585 4.003 85 HD12 LEU 14 2HD1 LEU 14 6.026 -1.131 4.224 86 HD13 LEU 14 3HD1 LEU 14 6.997 0.075 5.067 87 HD21 LEU 14 1HD2 LEU 14 3.880 -1.661 6.938 88 HD22 LEU 14 2HD2 LEU 14 5.137 -2.344 5.906 89 HD23 LEU 14 3HD2 LEU 14 3.664 -1.691 5.187 90 H VAL 15 H VAL 15 5.441 3.819 6.429 91 HA VAL 15 HA VAL 15 3.070 3.952 8.114 92 HB VAL 15 HB VAL 15 4.755 6.410 8.099 93 HG11 VAL 15 1HG1 VAL 15 2.597 5.205 9.764 94 HG12 VAL 15 2HG1 VAL 15 3.700 6.368 10.502 95 HG13 VAL 15 3HG1 VAL 15 2.734 6.833 9.102 96 HG21 VAL 15 1HG2 VAL 15 5.280 3.970 9.771 97 HG22 VAL 15 2HG2 VAL 15 6.423 4.920 8.821 98 HG23 VAL 15 3HG2 VAL 15 5.739 5.587 10.304 99 H VAL 16 H VAL 16 1.673 5.813 7.529 100 HA VAL 16 HA VAL 16 1.886 6.351 4.647 101 HB VAL 16 HB VAL 16 -0.536 6.467 6.450 102 HG11 VAL 16 1HG1 VAL 16 -1.828 7.101 4.631 103 HG12 VAL 16 2HG1 VAL 16 -0.362 8.060 4.415 104 HG13 VAL 16 3HG1 VAL 16 -0.609 6.597 3.461 105 HG21 VAL 16 1HG2 VAL 16 -0.322 4.225 6.176 106 HG22 VAL 16 2HG2 VAL 16 -1.131 4.583 4.650 107 HG23 VAL 16 3HG2 VAL 16 0.621 4.383 4.694 108 H THR 17 H THR 17 2.084 8.372 3.895 109 HA THR 17 HA THR 17 2.116 10.554 5.862 110 HB THR 17 HB THR 17 4.166 10.049 4.413 111 HG1 THR 17 1HG THR 17 4.471 12.374 4.075 112 HG21 THR 17 1HG2 THR 17 2.641 9.877 2.324 113 HG22 THR 17 2HG2 THR 17 4.208 10.671 2.170 114 HG23 THR 17 3HG2 THR 17 2.739 11.637 2.310 115 H GLU 18 H GLU 18 0.762 9.568 2.769 116 HA GLU 18 HA GLU 18 -1.219 11.717 3.025 117 HB2 GLU 18 1HB GLU 18 0.388 11.041 0.565 118 HB3 GLU 18 2HB GLU 18 -1.124 11.935 0.490 119 HG2 GLU 18 1HG GLU 18 -0.235 13.778 1.587 120 HG3 GLU 18 2HG GLU 18 1.112 12.855 2.250 121 H THR 19 H THR 19 -3.260 11.256 2.162 122 HA THR 19 HA THR 19 -3.693 8.559 1.103 123 HB THR 19 HB THR 19 -5.829 8.577 2.642 124 HG1 THR 19 1HG THR 19 -4.934 9.484 4.768 125 HG21 THR 19 1HG2 THR 19 -3.306 7.359 2.759 126 HG22 THR 19 2HG2 THR 19 -4.788 6.831 3.558 127 HG23 THR 19 3HG2 THR 19 -3.658 7.887 4.404 128 H THR 20 H THR 20 -4.615 8.918 -0.805 129 HA THR 20 HA THR 20 -6.431 11.182 -1.146 130 HB THR 20 HB THR 20 -5.790 9.373 -3.421 131 HG1 THR 20 1HG THR 20 -3.924 11.036 -2.082 132 HG21 THR 20 1HG2 THR 20 -5.345 12.018 -4.113 133 HG22 THR 20 2HG2 THR 20 -6.681 12.102 -2.964 134 HG23 THR 20 3HG2 THR 20 -6.819 11.097 -4.407 135 H ALA 21 H ALA 21 -8.459 10.881 -2.313 136 HA ALA 21 HA ALA 21 -10.154 9.034 -1.148 137 HB1 ALA 21 1HB ALA 21 -11.647 9.538 -3.181 138 HB2 ALA 21 2HB ALA 21 -11.189 10.876 -2.126 139 HB3 ALA 21 3HB ALA 21 -10.362 10.645 -3.666 140 H THR 22 H THR 22 -8.274 8.771 -4.110 141 HA THR 22 HA THR 22 -9.015 5.925 -4.245 142 HB THR 22 HB THR 22 -8.923 6.007 -6.690 143 HG1 THR 22 1HG THR 22 -8.891 8.831 -6.577 144 HG21 THR 22 1HG2 THR 22 -10.837 7.772 -5.222 145 HG22 THR 22 2HG2 THR 22 -11.121 6.222 -6.015 146 HG23 THR 22 3HG2 THR 22 -10.914 7.683 -6.981 147 H SER 23 H SER 23 -6.683 7.451 -3.123 148 HA SER 23 HA SER 23 -4.633 5.730 -4.202 149 HB2 SER 23 1HB SER 23 -3.918 8.638 -4.184 150 HB3 SER 23 2HB SER 23 -3.201 7.315 -5.105 151 HG SER 23 HG SER 23 -4.388 8.242 -6.618 152 H VAL 24 H VAL 24 -2.516 6.094 -3.006 153 HA VAL 24 HA VAL 24 -2.714 7.387 -0.430 154 HB VAL 24 HB VAL 24 -2.359 4.388 -0.531 155 HG11 VAL 24 1HG1 VAL 24 -1.206 4.871 1.351 156 HG12 VAL 24 2HG1 VAL 24 -1.983 6.442 1.555 157 HG13 VAL 24 3HG1 VAL 24 -2.821 4.971 2.051 158 HG21 VAL 24 1HG2 VAL 24 -4.518 4.302 0.656 159 HG22 VAL 24 2HG2 VAL 24 -4.693 6.042 0.430 160 HG23 VAL 24 3HG2 VAL 24 -4.671 4.969 -0.969 161 H THR 25 H THR 25 -0.707 7.542 0.657 162 HA THR 25 HA THR 25 1.610 6.893 -1.044 163 HB THR 25 HB THR 25 1.365 9.138 0.968 164 HG1 THR 25 1HG THR 25 0.159 9.642 -0.851 165 HG21 THR 25 1HG2 THR 25 3.633 8.696 0.912 166 HG22 THR 25 2HG2 THR 25 3.475 9.862 -0.403 167 HG23 THR 25 3HG2 THR 25 3.590 8.139 -0.760 168 H LEU 26 H LEU 26 2.962 5.422 -0.268 169 HA LEU 26 HA LEU 26 2.958 4.896 2.628 170 HB2 LEU 26 1HB LEU 26 2.294 3.093 0.921 171 HB3 LEU 26 2HB LEU 26 4.012 3.023 0.536 172 HG LEU 26 HG LEU 26 4.458 2.444 2.917 173 HD11 LEU 26 1HD1 LEU 26 1.453 2.251 3.059 174 HD12 LEU 26 2HD1 LEU 26 2.470 3.403 3.923 175 HD13 LEU 26 3HD1 LEU 26 2.578 1.682 4.293 176 HD21 LEU 26 1HD2 LEU 26 3.761 0.141 2.720 177 HD22 LEU 26 2HD2 LEU 26 4.271 0.738 1.141 178 HD23 LEU 26 3HD2 LEU 26 2.553 0.576 1.510 179 H THR 27 H THR 27 4.842 4.888 3.770 180 HA THR 27 HA THR 27 7.323 5.468 2.296 181 HB THR 27 HB THR 27 7.984 6.957 4.222 182 HG1 THR 27 1HG THR 27 6.481 7.528 5.691 183 HG21 THR 27 1HG2 THR 27 6.363 8.834 3.472 184 HG22 THR 27 2HG2 THR 27 5.752 7.630 2.337 185 HG23 THR 27 3HG2 THR 27 7.445 8.119 2.277 186 H TRP 28 H TRP 28 9.183 4.554 3.089 187 HA TRP 28 HA TRP 28 9.261 3.265 5.658 188 HB2 TRP 28 1HB TRP 28 9.578 0.996 4.868 189 HB3 TRP 28 2HB TRP 28 8.032 1.602 4.279 190 HD1 TRP 28 HD TRP 28 11.472 0.491 3.072 191 HE1 TRP 28 1HE TRP 28 11.410 0.224 0.513 192 HE3 TRP 28 3HE TRP 28 6.858 2.493 2.159 193 HZ2 TRP 28 2HZ TRP 28 9.639 0.788 -1.611 194 HZ3 TRP 28 3HZ TRP 28 6.054 2.593 -0.164 195 HH2 TRP 28 HH TRP 28 7.418 1.757 -2.009 196 H ASP 29 H ASP 29 11.388 1.781 5.647 197 HA ASP 29 HA ASP 29 13.490 3.394 4.355 198 HB2 ASP 29 1HB ASP 29 13.288 3.534 6.892 199 HB3 ASP 29 2HB ASP 29 13.819 1.855 6.928 200 H SER 30 H SER 30 15.384 2.309 3.653 201 HA SER 30 HA SER 30 15.065 0.060 2.159 202 HB2 SER 30 1HB SER 30 17.480 -0.151 2.092 203 HB3 SER 30 2HB SER 30 17.058 1.562 2.107 204 HG SER 30 HG SER 30 18.780 0.868 3.587 205 H GLY 31 H GLY 31 16.354 0.144 5.481 206 HA2 GLY 31 1HA GLY 31 16.080 -1.439 7.160 207 HA3 GLY 31 2HA GLY 31 15.197 -2.448 6.024 208 H ASN 32 H ASN 32 17.065 -2.730 4.002 209 HA ASN 32 HA ASN 32 18.962 -4.520 5.307 210 HB2 ASN 32 1HB ASN 32 18.060 -4.200 2.446 211 HB3 ASN 32 2HB ASN 32 19.399 -5.249 2.901 212 HD21 ASN 32 1HD2 ASN 32 15.985 -4.614 3.522 213 HD22 ASN 32 2HD2 ASN 32 15.563 -6.250 3.884 214 H SER 33 H SER 33 21.200 -4.519 4.823 215 HA SER 33 HA SER 33 22.298 -1.877 4.540 216 HB2 SER 33 1HB SER 33 23.234 -3.549 6.126 217 HB3 SER 33 2HB SER 33 23.742 -4.531 4.752 218 HG SER 33 HG SER 33 24.532 -1.840 4.906 219 H GLU 34 H GLU 34 22.181 -4.820 2.604 220 HA GLU 34 HA GLU 34 23.775 -3.604 0.496 221 HB2 GLU 34 1HB GLU 34 22.471 -6.325 0.686 222 HB3 GLU 34 2HB GLU 34 23.492 -5.791 -0.642 223 HG2 GLU 34 1HG GLU 34 25.020 -6.934 0.589 224 HG3 GLU 34 2HG GLU 34 25.205 -5.331 1.299 225 HA PRO 35 HA PRO 35 20.330 -2.077 -1.782 226 HB2 PRO 35 1HB PRO 35 21.479 -1.946 -4.238 227 HB3 PRO 35 2HB PRO 35 21.855 -0.807 -2.939 228 HG2 PRO 35 1HG PRO 35 23.378 -3.222 -3.841 229 HG3 PRO 35 2HG PRO 35 23.986 -1.617 -3.399 230 HD2 PRO 35 1HD PRO 35 24.081 -3.727 -1.706 231 HD3 PRO 35 2HD PRO 35 23.874 -2.057 -1.140 232 H VAL 36 H VAL 36 18.811 -3.718 -1.773 233 HA VAL 36 HA VAL 36 19.053 -6.158 -3.169 234 HB VAL 36 HB VAL 36 16.574 -6.315 -2.900 235 HG11 VAL 36 1HG1 VAL 36 16.910 -7.090 -0.832 236 HG12 VAL 36 2HG1 VAL 36 18.564 -6.501 -1.008 237 HG13 VAL 36 3HG1 VAL 36 17.349 -5.497 -0.216 238 HG21 VAL 36 1HG2 VAL 36 15.919 -4.329 -1.149 239 HG22 VAL 36 2HG2 VAL 36 16.936 -3.469 -2.305 240 HG23 VAL 36 3HG2 VAL 36 15.508 -4.340 -2.864 241 H THR 37 H THR 37 17.357 -6.783 -4.882 242 HA THR 37 HA THR 37 17.885 -5.264 -7.217 243 HB THR 37 HB THR 37 15.875 -7.486 -6.797 244 HG1 THR 37 1HG THR 37 18.381 -7.703 -6.601 245 HG21 THR 37 1HG2 THR 37 15.735 -5.843 -8.854 246 HG22 THR 37 2HG2 THR 37 15.534 -7.582 -9.068 247 HG23 THR 37 3HG2 THR 37 17.080 -6.820 -9.442 248 H TYR 38 H TYR 38 14.835 -5.901 -5.477 249 HA TYR 38 HA TYR 38 13.902 -3.234 -5.892 250 HB2 TYR 38 1HB TYR 38 12.082 -3.651 -7.383 251 HB3 TYR 38 2HB TYR 38 13.528 -4.305 -8.144 252 HD1 TYR 38 2HD TYR 38 13.866 -6.742 -8.277 253 HD2 TYR 38 1HD TYR 38 10.281 -5.083 -6.696 254 HE1 TYR 38 2HE TYR 38 12.755 -8.922 -8.524 255 HE2 TYR 38 1HE TYR 38 9.160 -7.259 -6.938 256 HH TYR 38 HH TYR 38 10.480 -9.995 -7.127 257 H TYR 39 H TYR 39 11.617 -2.983 -5.092 258 HA TYR 39 HA TYR 39 11.095 -4.942 -2.953 259 HB2 TYR 39 1HB TYR 39 10.613 -1.957 -2.984 260 HB3 TYR 39 2HB TYR 39 10.066 -3.036 -1.706 261 HD1 TYR 39 1HD TYR 39 13.172 -1.990 -3.488 262 HD2 TYR 39 2HD TYR 39 11.440 -3.419 0.126 263 HE1 TYR 39 1HE TYR 39 15.341 -1.734 -2.355 264 HE2 TYR 39 2HE TYR 39 13.603 -3.166 1.269 265 HH TYR 39 HH TYR 39 15.699 -1.764 0.955 266 H GLY 40 H GLY 40 9.102 -5.810 -2.783 267 HA2 GLY 40 1HA GLY 40 7.187 -5.137 -4.891 268 HA3 GLY 40 2HA GLY 40 7.163 -6.583 -3.892 269 H ILE 41 H ILE 41 4.873 -5.094 -4.375 270 HA ILE 41 HA ILE 41 4.278 -4.156 -1.659 271 HB ILE 41 HB ILE 41 3.423 -2.719 -4.175 272 HG12 ILE 41 1HG1 ILE 41 5.238 -1.816 -1.928 273 HG13 ILE 41 2HG1 ILE 41 5.784 -2.332 -3.520 274 HG21 ILE 41 1HG2 ILE 41 2.933 -1.298 -1.730 275 HG22 ILE 41 2HG2 ILE 41 1.802 -1.757 -3.002 276 HG23 ILE 41 3HG2 ILE 41 2.148 -2.876 -1.684 277 HD11 ILE 41 1HD1 ILE 41 5.248 0.238 -2.764 278 HD12 ILE 41 2HD1 ILE 41 5.342 -0.348 -4.425 279 HD13 ILE 41 3HD1 ILE 41 3.778 -0.226 -3.620 280 H GLN 42 H GLN 42 2.556 -5.147 -0.848 281 HA GLN 42 HA GLN 42 0.526 -6.193 -2.708 282 HB2 GLN 42 1HB GLN 42 1.727 -7.527 -0.284 283 HB3 GLN 42 2HB GLN 42 0.223 -8.065 -1.019 284 HG2 GLN 42 1HG GLN 42 1.416 -8.447 -3.133 285 HG3 GLN 42 2HG GLN 42 2.920 -7.963 -2.351 286 HE21 GLN 42 1HE2 GLN 42 4.114 -9.524 -1.535 287 HE22 GLN 42 2HE2 GLN 42 3.569 -11.107 -1.112 288 H TYR 43 H TYR 43 -1.491 -5.562 -2.302 289 HA TYR 43 HA TYR 43 -2.270 -4.828 0.415 290 HB2 TYR 43 1HB TYR 43 -3.341 -2.729 -0.441 291 HB3 TYR 43 2HB TYR 43 -1.581 -2.706 -0.473 292 HD1 TYR 43 1HD TYR 43 -0.536 -3.542 -2.774 293 HD2 TYR 43 2HD TYR 43 -4.463 -1.974 -2.309 294 HE1 TYR 43 1HE TYR 43 -0.582 -2.966 -5.165 295 HE2 TYR 43 2HE TYR 43 -4.521 -1.394 -4.698 296 HH TYR 43 HH TYR 43 -2.972 -0.950 -6.522 297 H ARG 44 H ARG 44 -4.577 -4.709 0.717 298 HA ARG 44 HA ARG 44 -6.352 -5.491 -1.397 299 HB2 ARG 44 1HB ARG 44 -5.490 -7.681 -0.979 300 HB3 ARG 44 2HB ARG 44 -5.617 -7.466 0.762 301 HG2 ARG 44 1HG ARG 44 -7.461 -8.738 0.415 302 HG3 ARG 44 2HG ARG 44 -8.175 -7.143 0.167 303 HD2 ARG 44 1HD ARG 44 -7.485 -7.528 -2.315 304 HD3 ARG 44 2HD ARG 44 -7.434 -9.226 -1.844 305 HE ARG 44 HE ARG 44 -9.856 -8.376 -0.954 306 HH11 ARG 44 2HH1 ARG 44 -8.232 -8.290 -4.032 307 HH12 ARG 44 1HH1 ARG 44 -9.696 -8.377 -4.954 308 HH21 ARG 44 2HH2 ARG 44 -11.791 -8.492 -2.157 309 HH22 ARG 44 1HH2 ARG 44 -11.720 -8.491 -3.887 310 H ALA 45 H ALA 45 -8.491 -5.122 -0.893 311 HA ALA 45 HA ALA 45 -9.128 -3.245 1.023 312 HB1 ALA 45 1HB ALA 45 -11.374 -4.996 0.469 313 HB2 ALA 45 2HB ALA 45 -11.136 -3.297 0.058 314 HB3 ALA 45 3HB ALA 45 -10.488 -4.558 -0.992 315 H ALA 46 H ALA 46 -8.895 -3.413 3.153 316 HA ALA 46 HA ALA 46 -8.603 -5.672 4.676 317 HB1 ALA 46 1HB ALA 46 -9.782 -3.014 5.466 318 HB2 ALA 46 2HB ALA 46 -9.322 -4.274 6.613 319 HB3 ALA 46 3HB ALA 46 -8.097 -3.522 5.591 320 H GLY 47 H GLY 47 -9.909 -7.378 4.810 321 HA2 GLY 47 1HA GLY 47 -12.139 -7.800 6.091 322 HA3 GLY 47 2HA GLY 47 -12.814 -6.966 4.699 323 H THR 48 H THR 48 -13.116 -8.056 2.816 324 HA THR 48 HA THR 48 -13.467 -10.776 2.790 325 HB THR 48 HB THR 48 -12.686 -9.179 0.346 326 HG1 THR 48 1HG THR 48 -15.092 -8.977 0.239 327 HG21 THR 48 1HG2 THR 48 -13.057 -11.108 -0.711 328 HG22 THR 48 2HG2 THR 48 -14.744 -10.999 -0.206 329 HG23 THR 48 3HG2 THR 48 -13.582 -11.882 0.784 330 H GLU 49 H GLU 49 -12.259 -12.555 2.351 331 HA GLU 49 HA GLU 49 -9.380 -12.228 2.405 332 HB2 GLU 49 1HB GLU 49 -10.547 -13.933 3.801 333 HB3 GLU 49 2HB GLU 49 -11.009 -14.773 2.327 334 HG2 GLU 49 1HG GLU 49 -8.475 -14.818 1.836 335 HG3 GLU 49 2HG GLU 49 -8.303 -14.471 3.555 336 H GLY 50 H GLY 50 -9.703 -11.144 0.171 337 HA2 GLY 50 1HA GLY 50 -9.817 -13.133 -1.984 338 HA3 GLY 50 2HA GLY 50 -9.913 -11.390 -2.185 339 HA PRO 51 HA PRO 51 -5.599 -12.971 -3.181 340 HB2 PRO 51 1HB PRO 51 -5.568 -12.144 -5.767 341 HB3 PRO 51 2HB PRO 51 -6.156 -13.737 -5.275 342 HG2 PRO 51 1HG PRO 51 -7.709 -11.257 -5.911 343 HG3 PRO 51 2HG PRO 51 -8.036 -12.935 -6.384 344 HD2 PRO 51 1HD PRO 51 -9.327 -11.720 -4.337 345 HD3 PRO 51 2HD PRO 51 -8.972 -13.459 -4.344 346 H PHE 52 H PHE 52 -4.188 -11.574 -2.346 347 HA PHE 52 HA PHE 52 -4.567 -8.754 -2.391 348 HB2 PHE 52 1HB PHE 52 -2.290 -10.523 -1.515 349 HB3 PHE 52 2HB PHE 52 -2.177 -8.767 -1.457 350 HD1 PHE 52 2HD PHE 52 -4.600 -11.425 -0.450 351 HD2 PHE 52 1HD PHE 52 -2.625 -7.793 0.562 352 HE1 PHE 52 2HE PHE 52 -5.720 -11.430 1.740 353 HE2 PHE 52 1HE PHE 52 -3.741 -7.793 2.754 354 HZ PHE 52 HZ PHE 52 -5.292 -9.612 3.346 355 H GLN 53 H GLN 53 -3.781 -7.233 -3.728 356 HA GLN 53 HA GLN 53 -2.934 -7.841 -6.300 357 HB2 GLN 53 1HB GLN 53 -2.469 -5.300 -4.731 358 HB3 GLN 53 2HB GLN 53 -2.300 -5.457 -6.474 359 HG2 GLN 53 1HG GLN 53 -4.862 -5.991 -4.996 360 HG3 GLN 53 2HG GLN 53 -4.439 -4.430 -5.697 361 HE21 GLN 53 1HE2 GLN 53 -5.559 -4.134 -7.479 362 HE22 GLN 53 2HE2 GLN 53 -5.841 -5.308 -8.714 363 H GLU 54 H GLU 54 -0.836 -7.083 -7.301 364 HA GLU 54 HA GLU 54 1.479 -7.443 -5.552 365 HB2 GLU 54 1HB GLU 54 0.668 -9.645 -6.693 366 HB3 GLU 54 2HB GLU 54 1.384 -8.952 -8.142 367 HG2 GLU 54 1HG GLU 54 3.448 -8.615 -6.533 368 HG3 GLU 54 2HG GLU 54 2.685 -9.949 -5.670 369 H VAL 55 H VAL 55 2.975 -5.966 -5.977 370 HA VAL 55 HA VAL 55 3.128 -4.844 -8.696 371 HB VAL 55 HB VAL 55 3.373 -3.269 -6.129 372 HG11 VAL 55 1HG1 VAL 55 4.129 -2.722 -8.902 373 HG12 VAL 55 2HG1 VAL 55 3.130 -1.467 -8.165 374 HG13 VAL 55 3HG1 VAL 55 4.651 -1.944 -7.408 375 HG21 VAL 55 1HG2 VAL 55 1.300 -2.683 -8.168 376 HG22 VAL 55 2HG2 VAL 55 1.053 -4.090 -7.134 377 HG23 VAL 55 3HG2 VAL 55 1.251 -2.491 -6.416 378 H ASP 56 H ASP 56 5.074 -5.087 -9.555 379 HA ASP 56 HA ASP 56 7.403 -5.221 -7.754 380 HB2 ASP 56 1HB ASP 56 8.409 -6.881 -9.140 381 HB3 ASP 56 2HB ASP 56 6.757 -7.411 -8.840 382 H GLY 57 H GLY 57 9.242 -4.123 -8.348 383 HA2 GLY 57 1HA GLY 57 10.558 -3.081 -10.146 384 HA3 GLY 57 2HA GLY 57 9.038 -2.497 -10.808 385 H VAL 58 H VAL 58 9.803 -2.475 -7.386 386 HA VAL 58 HA VAL 58 9.745 0.466 -7.471 387 HB VAL 58 HB VAL 58 9.308 -1.238 -5.025 388 HG11 VAL 58 1HG1 VAL 58 8.928 0.675 -3.927 389 HG12 VAL 58 2HG1 VAL 58 9.754 1.450 -5.280 390 HG13 VAL 58 3HG1 VAL 58 7.993 1.360 -5.256 391 HG21 VAL 58 1HG2 VAL 58 6.840 -0.239 -5.787 392 HG22 VAL 58 2HG2 VAL 58 7.550 -0.819 -7.294 393 HG23 VAL 58 3HG2 VAL 58 7.379 -1.913 -5.920 394 H ALA 59 H ALA 59 11.936 0.804 -7.893 395 HA ALA 59 HA ALA 59 13.917 -0.319 -6.085 396 HB1 ALA 59 1HB ALA 59 14.007 0.338 -8.730 397 HB2 ALA 59 2HB ALA 59 14.817 1.717 -7.985 398 HB3 ALA 59 3HB ALA 59 15.416 0.082 -7.700 399 H THR 60 H THR 60 11.953 1.476 -4.967 400 HA THR 60 HA THR 60 13.790 3.461 -3.849 401 HB THR 60 HB THR 60 11.734 5.072 -3.853 402 HG1 THR 60 1HG THR 60 10.439 4.760 -5.736 403 HG21 THR 60 1HG2 THR 60 12.431 5.606 -6.388 404 HG22 THR 60 2HG2 THR 60 13.744 4.512 -5.953 405 HG23 THR 60 3HG2 THR 60 13.467 5.976 -5.011 406 H THR 61 H THR 61 12.904 4.464 -1.847 407 HA THR 61 HA THR 61 11.544 2.415 -0.272 408 HB THR 61 HB THR 61 12.220 3.799 1.689 409 HG1 THR 61 1HG THR 61 12.922 5.756 1.339 410 HG21 THR 61 1HG2 THR 61 13.808 2.177 0.051 411 HG22 THR 61 2HG2 THR 61 14.092 2.587 1.743 412 HG23 THR 61 3HG2 THR 61 14.820 3.560 0.465 413 H ARG 62 H ARG 62 10.282 4.448 -2.197 414 HA ARG 62 HA ARG 62 8.047 5.087 -0.454 415 HB2 ARG 62 1HB ARG 62 9.601 7.065 -0.398 416 HB3 ARG 62 2HB ARG 62 9.331 7.250 -2.126 417 HG2 ARG 62 1HG ARG 62 7.135 7.919 -1.845 418 HG3 ARG 62 2HG ARG 62 7.015 7.193 -0.241 419 HD2 ARG 62 1HD ARG 62 7.150 9.459 0.230 420 HD3 ARG 62 2HD ARG 62 8.819 8.922 0.417 421 HE ARG 62 HE ARG 62 8.397 9.788 -2.229 422 HH11 ARG 62 2HH1 ARG 62 8.678 11.029 1.012 423 HH12 ARG 62 1HH1 ARG 62 9.288 12.571 0.509 424 HH21 ARG 62 2HH2 ARG 62 9.199 11.814 -2.904 425 HH22 ARG 62 1HH2 ARG 62 9.583 13.016 -1.719 426 H TYR 63 H TYR 63 6.193 4.673 -1.464 427 HA TYR 63 HA TYR 63 5.953 5.059 -4.337 428 HB2 TYR 63 1HB TYR 63 6.759 2.768 -4.198 429 HB3 TYR 63 2HB TYR 63 5.515 2.372 -3.017 430 HD1 TYR 63 1HD TYR 63 6.128 3.213 -6.557 431 HD2 TYR 63 2HD TYR 63 3.289 1.847 -3.697 432 HE1 TYR 63 1HE TYR 63 4.614 2.558 -8.382 433 HE2 TYR 63 2HE TYR 63 1.768 1.188 -5.514 434 HH TYR 63 HH TYR 63 2.756 1.321 -8.879 435 H SER 64 H SER 64 3.832 5.301 -5.049 436 HA SER 64 HA SER 64 1.838 5.558 -2.896 437 HB2 SER 64 1HB SER 64 0.760 7.281 -4.274 438 HB3 SER 64 2HB SER 64 2.443 7.699 -3.953 439 HG SER 64 HG SER 64 1.196 7.215 -6.324 440 H ILE 65 H ILE 65 -0.025 4.458 -3.035 441 HA ILE 65 HA ILE 65 -0.381 2.688 -5.335 442 HB ILE 65 HB ILE 65 -1.691 2.696 -2.615 443 HG12 ILE 65 1HG1 ILE 65 -0.490 0.340 -2.725 444 HG13 ILE 65 2HG1 ILE 65 0.533 1.164 -3.896 445 HG21 ILE 65 1HG2 ILE 65 -3.367 1.581 -3.568 446 HG22 ILE 65 2HG2 ILE 65 -2.507 1.457 -5.102 447 HG23 ILE 65 3HG2 ILE 65 -2.223 0.266 -3.833 448 HD11 ILE 65 1HD1 ILE 65 1.640 2.227 -2.298 449 HD12 ILE 65 2HD1 ILE 65 0.152 2.738 -1.501 450 HD13 ILE 65 3HD1 ILE 65 0.838 1.151 -1.155 451 H GLY 66 H GLY 66 -2.175 2.689 -6.631 452 HA2 GLY 66 1HA GLY 66 -4.278 4.663 -6.052 453 HA3 GLY 66 2HA GLY 66 -3.453 4.717 -7.603 454 H GLY 67 H GLY 67 -6.252 4.352 -7.238 455 HA2 GLY 67 1HA GLY 67 -7.649 3.074 -8.692 456 HA3 GLY 67 2HA GLY 67 -6.520 1.736 -8.547 457 H LEU 68 H LEU 68 -7.627 3.555 -5.778 458 HA LEU 68 HA LEU 68 -9.042 1.149 -4.852 459 HB2 LEU 68 1HB LEU 68 -8.133 3.423 -3.117 460 HB3 LEU 68 2HB LEU 68 -8.567 1.784 -2.636 461 HG LEU 68 HG LEU 68 -6.140 2.395 -4.307 462 HD11 LEU 68 1HD1 LEU 68 -4.812 2.578 -2.408 463 HD12 LEU 68 2HD1 LEU 68 -6.061 1.922 -1.351 464 HD13 LEU 68 3HD1 LEU 68 -6.229 3.549 -2.010 465 HD21 LEU 68 1HD2 LEU 68 -5.876 0.193 -4.339 466 HD22 LEU 68 2HD2 LEU 68 -7.435 0.017 -3.533 467 HD23 LEU 68 3HD2 LEU 68 -5.956 0.125 -2.578 468 H SER 69 H SER 69 -10.719 1.879 -3.029 469 HA SER 69 HA SER 69 -12.525 3.767 -4.374 470 HB2 SER 69 1HB SER 69 -13.528 1.604 -4.161 471 HB3 SER 69 2HB SER 69 -13.059 1.486 -2.465 472 HG SER 69 HG SER 69 -15.050 2.191 -2.229 473 HA PRO 70 HA PRO 70 -12.120 6.677 -1.101 474 HB2 PRO 70 1HB PRO 70 -14.493 7.969 -1.365 475 HB3 PRO 70 2HB PRO 70 -13.157 8.174 -2.503 476 HG2 PRO 70 1HG PRO 70 -15.600 6.460 -2.739 477 HG3 PRO 70 2HG PRO 70 -14.831 7.487 -3.963 478 HD2 PRO 70 1HD PRO 70 -14.477 4.804 -3.881 479 HD3 PRO 70 2HD PRO 70 -13.214 5.917 -4.447 480 H PHE 71 H PHE 71 -12.463 6.632 1.038 481 HA PHE 71 HA PHE 71 -13.417 6.237 3.071 482 HB2 PHE 71 1HB PHE 71 -15.521 7.067 1.709 483 HB3 PHE 71 2HB PHE 71 -16.005 5.379 1.843 484 HD1 PHE 71 2HD PHE 71 -14.394 7.806 4.177 485 HD2 PHE 71 1HD PHE 71 -17.600 5.100 3.460 486 HE1 PHE 71 2HE PHE 71 -15.260 8.239 6.439 487 HE2 PHE 71 1HE PHE 71 -18.472 5.529 5.720 488 HZ PHE 71 HZ PHE 71 -17.301 7.099 7.214 489 H SER 72 H SER 72 -11.938 4.250 1.818 490 HA SER 72 HA SER 72 -13.252 1.831 2.857 491 HB2 SER 72 1HB SER 72 -12.371 0.506 1.051 492 HB3 SER 72 2HB SER 72 -13.217 1.881 0.342 493 HG SER 72 HG SER 72 -11.177 2.897 0.093 494 H GLU 73 H GLU 73 -11.807 0.187 3.639 495 HA GLU 73 HA GLU 73 -9.270 1.322 4.598 496 HB2 GLU 73 1HB GLU 73 -11.157 0.440 6.176 497 HB3 GLU 73 2HB GLU 73 -10.528 -1.145 5.747 498 HG2 GLU 73 1HG GLU 73 -8.408 -0.656 6.679 499 HG3 GLU 73 2HG GLU 73 -8.806 1.052 6.855 500 H TYR 74 H TYR 74 -7.386 0.459 3.993 501 HA TYR 74 HA TYR 74 -7.370 -2.230 2.811 502 HB2 TYR 74 1HB TYR 74 -6.433 0.327 1.576 503 HB3 TYR 74 2HB TYR 74 -5.556 -1.157 1.222 504 HD1 TYR 74 1HD TYR 74 -8.835 0.520 0.949 505 HD2 TYR 74 2HD TYR 74 -6.458 -2.799 -0.248 506 HE1 TYR 74 1HE TYR 74 -10.500 -0.044 -0.771 507 HE2 TYR 74 2HE TYR 74 -8.115 -3.372 -1.972 508 HH TYR 74 HH TYR 74 -9.897 -2.173 -3.284 509 H ALA 75 H ALA 75 -5.425 -3.372 3.015 510 HA ALA 75 HA ALA 75 -3.600 -2.272 5.046 511 HB1 ALA 75 1HB ALA 75 -4.221 -4.164 6.087 512 HB2 ALA 75 2HB ALA 75 -4.745 -4.939 4.592 513 HB3 ALA 75 3HB ALA 75 -3.035 -4.919 5.022 514 H PHE 76 H PHE 76 -1.651 -1.687 4.378 515 HA PHE 76 HA PHE 76 -0.632 -2.778 1.851 516 HB2 PHE 76 1HB PHE 76 0.248 -0.324 3.386 517 HB3 PHE 76 2HB PHE 76 0.869 -0.834 1.820 518 HD1 PHE 76 1HD PHE 76 -0.575 -0.730 -0.175 519 HD2 PHE 76 2HD PHE 76 -1.819 0.825 3.586 520 HE1 PHE 76 1HE PHE 76 -2.343 0.561 -1.298 521 HE2 PHE 76 2HE PHE 76 -3.590 2.118 2.470 522 HZ PHE 76 HZ PHE 76 -3.854 1.986 0.025 523 H ARG 77 H ARG 77 1.616 -3.352 1.683 524 HA ARG 77 HA ARG 77 3.232 -3.646 4.026 525 HB2 ARG 77 1HB ARG 77 3.348 -6.164 3.852 526 HB3 ARG 77 2HB ARG 77 1.855 -5.519 4.520 527 HG2 ARG 77 1HG ARG 77 0.759 -5.817 2.353 528 HG3 ARG 77 2HG ARG 77 2.258 -6.477 1.694 529 HD2 ARG 77 1HD ARG 77 2.164 -8.346 3.193 530 HD3 ARG 77 2HD ARG 77 0.794 -7.646 4.054 531 HE ARG 77 HE ARG 77 0.166 -7.998 1.318 532 HH11 ARG 77 2HH1 ARG 77 0.613 -9.776 4.278 533 HH12 ARG 77 1HH1 ARG 77 -0.453 -11.063 3.818 534 HH21 ARG 77 2HH2 ARG 77 -1.238 -9.686 0.702 535 HH22 ARG 77 1HH2 ARG 77 -1.504 -11.011 1.783 536 H VAL 78 H VAL 78 5.210 -3.263 3.306 537 HA VAL 78 HA VAL 78 5.878 -3.917 0.528 538 HB VAL 78 HB VAL 78 7.485 -2.240 2.456 539 HG11 VAL 78 1HG1 VAL 78 8.286 -1.307 0.186 540 HG12 VAL 78 2HG1 VAL 78 8.910 -2.866 0.729 541 HG13 VAL 78 3HG1 VAL 78 7.630 -2.800 -0.483 542 HG21 VAL 78 1HG2 VAL 78 5.376 -1.153 2.232 543 HG22 VAL 78 2HG2 VAL 78 6.517 -0.301 1.192 544 HG23 VAL 78 3HG2 VAL 78 5.353 -1.424 0.490 545 H LEU 79 H LEU 79 7.867 -4.945 0.001 546 HA LEU 79 HA LEU 79 9.320 -6.267 2.152 547 HB2 LEU 79 1HB LEU 79 9.129 -8.464 0.994 548 HB3 LEU 79 2HB LEU 79 7.635 -7.885 1.728 549 HG LEU 79 HG LEU 79 8.133 -7.405 -1.180 550 HD11 LEU 79 1HD1 LEU 79 8.608 -9.791 -0.788 551 HD12 LEU 79 2HD1 LEU 79 7.149 -9.536 -1.743 552 HD13 LEU 79 3HD1 LEU 79 7.022 -9.963 -0.037 553 HD21 LEU 79 1HD2 LEU 79 5.501 -8.137 -0.684 554 HD22 LEU 79 2HD2 LEU 79 6.117 -6.501 -0.922 555 HD23 LEU 79 3HD2 LEU 79 5.957 -7.156 0.709 556 H ALA 80 H ALA 80 11.412 -6.855 1.611 557 HA ALA 80 HA ALA 80 12.473 -5.558 -0.753 558 HB1 ALA 80 1HB ALA 80 13.439 -5.753 1.740 559 HB2 ALA 80 2HB ALA 80 14.272 -7.118 0.993 560 HB3 ALA 80 3HB ALA 80 14.459 -5.497 0.324 561 H VAL 81 H VAL 81 13.553 -6.556 -2.434 562 HA VAL 81 HA VAL 81 13.667 -9.478 -2.476 563 HB VAL 81 HB VAL 81 12.428 -7.926 -4.749 564 HG11 VAL 81 1HG1 VAL 81 13.494 -10.554 -4.523 565 HG12 VAL 81 2HG1 VAL 81 11.747 -10.675 -4.741 566 HG13 VAL 81 3HG1 VAL 81 12.724 -9.791 -5.914 567 HG21 VAL 81 1HG2 VAL 81 11.209 -9.234 -2.368 568 HG22 VAL 81 2HG2 VAL 81 10.738 -7.757 -3.208 569 HG23 VAL 81 3HG2 VAL 81 10.365 -9.329 -3.913 570 H ASN 82 H ASN 82 15.408 -10.266 -3.529 571 HA ASN 82 HA ASN 82 16.853 -8.595 -5.424 572 HB2 ASN 82 1HB ASN 82 18.868 -8.487 -4.266 573 HB3 ASN 82 2HB ASN 82 17.690 -8.243 -2.980 574 HD21 ASN 82 1HD2 ASN 82 17.442 -9.777 -1.410 575 HD22 ASN 82 2HD2 ASN 82 18.495 -11.136 -1.240 576 H SER 83 H SER 83 19.003 -9.953 -6.005 577 HA SER 83 HA SER 83 18.405 -11.976 -7.631 578 HB2 SER 83 1HB SER 83 20.708 -12.981 -7.029 579 HB3 SER 83 2HB SER 83 20.662 -11.318 -7.613 580 HG SER 83 HG SER 83 20.671 -10.683 -5.364 581 H ILE 84 H ILE 84 19.083 -12.427 -4.172 582 HA ILE 84 HA ILE 84 18.801 -15.193 -4.059 583 HB ILE 84 HB ILE 84 18.014 -13.222 -1.910 584 HG12 ILE 84 1HG1 ILE 84 20.246 -12.695 -2.416 585 HG13 ILE 84 2HG1 ILE 84 20.377 -13.828 -1.076 586 HG21 ILE 84 1HG2 ILE 84 18.890 -15.297 -0.532 587 HG22 ILE 84 2HG2 ILE 84 17.218 -15.195 -1.084 588 HG23 ILE 84 3HG2 ILE 84 18.384 -16.169 -1.979 589 HD11 ILE 84 1HD1 ILE 84 21.051 -14.204 -3.949 590 HD12 ILE 84 2HD1 ILE 84 21.978 -14.618 -2.506 591 HD13 ILE 84 3HD1 ILE 84 20.591 -15.600 -2.974 592 H GLY 85 H GLY 85 16.325 -12.733 -3.291 593 HA2 GLY 85 1HA GLY 85 14.208 -13.745 -4.672 594 HA3 GLY 85 2HA GLY 85 14.238 -14.714 -3.207 595 H ARG 86 H ARG 86 12.143 -13.835 -2.728 596 HA ARG 86 HA ARG 86 12.192 -11.029 -1.845 597 HB2 ARG 86 1HB ARG 86 9.643 -11.373 -1.782 598 HB3 ARG 86 2HB ARG 86 10.419 -11.251 -3.355 599 HG2 ARG 86 1HG ARG 86 10.409 -13.715 -3.513 600 HG3 ARG 86 2HG ARG 86 9.534 -13.779 -1.982 601 HD2 ARG 86 1HD ARG 86 8.010 -13.979 -3.876 602 HD3 ARG 86 2HD ARG 86 7.704 -12.500 -2.966 603 HE ARG 86 HE ARG 86 9.427 -11.762 -4.964 604 HH11 ARG 86 2HH1 ARG 86 6.290 -13.264 -4.807 605 HH12 ARG 86 1HH1 ARG 86 5.761 -12.620 -6.326 606 HH21 ARG 86 2HH2 ARG 86 8.742 -10.908 -6.965 607 HH22 ARG 86 1HH2 ARG 86 7.157 -11.280 -7.553 608 H GLY 87 H GLY 87 12.486 -10.739 0.260 609 HA2 GLY 87 1HA GLY 87 12.238 -12.866 2.151 610 HA3 GLY 87 2HA GLY 87 12.599 -11.185 2.517 611 HA PRO 88 HA PRO 88 8.317 -12.275 4.048 612 HB2 PRO 88 1HB PRO 88 8.745 -11.499 6.614 613 HB3 PRO 88 2HB PRO 88 9.092 -13.132 6.034 614 HG2 PRO 88 1HG PRO 88 10.963 -10.833 6.449 615 HG3 PRO 88 2HG PRO 88 11.184 -12.543 6.860 616 HD2 PRO 88 1HD PRO 88 12.281 -11.423 4.653 617 HD3 PRO 88 2HD PRO 88 11.757 -13.118 4.703 618 HA PRO 89 HA PRO 89 6.970 -8.095 3.655 619 HB2 PRO 89 1HB PRO 89 4.529 -8.296 4.825 620 HB3 PRO 89 2HB PRO 89 4.885 -8.959 3.226 621 HG2 PRO 89 1HG PRO 89 4.774 -10.353 5.873 622 HG3 PRO 89 2HG PRO 89 4.137 -10.879 4.304 623 HD2 PRO 89 1HD PRO 89 6.470 -11.809 5.315 624 HD3 PRO 89 2HD PRO 89 6.196 -11.611 3.572 625 H SER 90 H SER 90 6.349 -6.212 4.900 626 HA SER 90 HA SER 90 7.489 -6.288 7.587 627 HB2 SER 90 1HB SER 90 8.378 -4.553 6.185 628 HB3 SER 90 2HB SER 90 6.762 -4.002 5.745 629 HG SER 90 HG SER 90 7.517 -2.643 7.326 630 H GLU 91 H GLU 91 6.419 -4.862 9.254 631 HA GLU 91 HA GLU 91 4.008 -5.824 10.056 632 HB2 GLU 91 1HB GLU 91 3.770 -3.796 11.449 633 HB3 GLU 91 2HB GLU 91 5.392 -4.472 11.514 634 HG2 GLU 91 1HG GLU 91 5.866 -2.748 9.610 635 HG3 GLU 91 2HG GLU 91 4.440 -1.944 10.264 636 H ALA 92 H ALA 92 2.393 -6.029 8.577 637 HA ALA 92 HA ALA 92 1.594 -4.321 6.595 638 HB1 ALA 92 1HB ALA 92 -0.603 -5.363 6.716 639 HB2 ALA 92 2HB ALA 92 0.672 -6.566 6.916 640 HB3 ALA 92 3HB ALA 92 -0.229 -5.994 8.320 641 H VAL 93 H VAL 93 0.657 -2.381 6.471 642 HA VAL 93 HA VAL 93 -0.353 -1.178 8.962 643 HB VAL 93 HB VAL 93 0.027 1.016 7.782 644 HG11 VAL 93 1HG1 VAL 93 1.706 0.827 9.258 645 HG12 VAL 93 2HG1 VAL 93 2.049 -0.843 8.804 646 HG13 VAL 93 3HG1 VAL 93 2.695 0.485 7.839 647 HG21 VAL 93 1HG2 VAL 93 1.749 -0.571 5.899 648 HG22 VAL 93 2HG2 VAL 93 0.098 -0.099 5.496 649 HG23 VAL 93 3HG2 VAL 93 1.316 1.136 5.814 650 H ARG 94 H ARG 94 -2.345 -0.224 9.022 651 HA ARG 94 HA ARG 94 -4.059 -0.687 6.678 652 HB2 ARG 94 1HB ARG 94 -4.592 -0.642 9.629 653 HB3 ARG 94 2HB ARG 94 -5.900 -0.334 8.495 654 HG2 ARG 94 1HG ARG 94 -5.230 -2.530 7.387 655 HG3 ARG 94 2HG ARG 94 -4.279 -2.831 8.843 656 HD2 ARG 94 1HD ARG 94 -7.131 -2.020 9.130 657 HD3 ARG 94 2HD ARG 94 -6.765 -3.672 8.635 658 HE ARG 94 HE ARG 94 -6.547 -2.619 11.242 659 HH11 ARG 94 2HH1 ARG 94 -4.893 -4.725 9.016 660 HH12 ARG 94 1HH1 ARG 94 -4.160 -5.680 10.261 661 HH21 ARG 94 2HH2 ARG 94 -5.587 -3.870 12.890 662 HH22 ARG 94 1HH2 ARG 94 -4.556 -5.194 12.465 663 H ALA 95 H ALA 95 -4.682 1.022 5.548 664 HA ALA 95 HA ALA 95 -4.971 3.608 6.921 665 HB1 ALA 95 1HB ALA 95 -3.643 3.164 4.250 666 HB2 ALA 95 2HB ALA 95 -4.012 4.738 4.955 667 HB3 ALA 95 3HB ALA 95 -2.855 3.667 5.746 668 H ARG 96 H ARG 96 -6.902 4.498 6.616 669 HA ARG 96 HA ARG 96 -8.651 3.393 4.553 670 HB2 ARG 96 1HB ARG 96 -9.230 3.769 7.091 671 HB3 ARG 96 2HB ARG 96 -9.551 5.416 6.564 672 HG2 ARG 96 1HG ARG 96 -11.150 4.537 4.902 673 HG3 ARG 96 2HG ARG 96 -10.872 2.914 5.537 674 HD2 ARG 96 1HD ARG 96 -11.624 3.711 7.762 675 HD3 ARG 96 2HD ARG 96 -12.006 5.272 7.036 676 HE ARG 96 HE ARG 96 -13.379 3.459 5.525 677 HH11 ARG 96 2HH1 ARG 96 -13.241 4.243 8.914 678 HH12 ARG 96 1HH1 ARG 96 -14.884 3.786 9.220 679 HH21 ARG 96 2HH2 ARG 96 -15.543 2.854 5.915 680 HH22 ARG 96 1HH2 ARG 96 -16.192 2.996 7.514 681 H THR 97 H THR 97 -8.950 4.416 2.696 682 HA THR 97 HA THR 97 -7.794 6.925 2.112 683 HB THR 97 HB THR 97 -8.667 6.713 -0.060 684 HG1 THR 97 1HG THR 97 -10.522 4.717 0.640 685 HG21 THR 97 1HG2 THR 97 -7.373 4.927 -0.390 686 HG22 THR 97 2HG2 THR 97 -8.765 3.905 -0.032 687 HG23 THR 97 3HG2 THR 97 -7.655 4.367 1.258 688 H GLY 98 H GLY 98 -8.795 8.920 1.598 689 HA2 GLY 98 1HA GLY 98 -10.849 9.691 3.397 690 HA3 GLY 98 2HA GLY 98 -10.176 10.683 2.112 691 H GLU 99 H GLU 99 -12.757 11.043 2.545 692 HA GLU 99 HA GLU 99 -14.116 9.480 0.448 693 HB2 GLU 99 1HB GLU 99 -16.206 10.486 1.734 694 HB3 GLU 99 2HB GLU 99 -15.430 8.997 2.256 695 HG2 GLU 99 1HG GLU 99 -14.490 9.965 4.102 696 HG3 GLU 99 2HG GLU 99 -14.473 11.575 3.384 697 H GLN 100 H GLN 100 -13.086 11.050 -1.029 698 HA GLN 100 HA GLN 100 -14.325 13.705 -0.998 699 HB2 GLN 100 1HB GLN 100 -11.784 13.266 -1.307 700 HB3 GLN 100 2HB GLN 100 -12.224 12.825 -2.952 701 HG2 GLN 100 1HG GLN 100 -12.796 14.962 -3.525 702 HG3 GLN 100 2HG GLN 100 -13.190 15.417 -1.868 703 HE21 GLN 100 1HE2 GLN 100 -11.591 16.151 -0.518 704 HE22 GLN 100 2HE2 GLN 100 -10.002 16.547 -1.068 705 H SER 101 H SER 101 -13.463 11.332 -3.521 706 HA SER 101 HA SER 101 -15.638 12.269 -5.184 707 HB2 SER 101 1HB SER 101 -14.735 10.839 -6.890 708 HB3 SER 101 2HB SER 101 -13.375 11.628 -6.091 709 HG SER 101 HG SER 101 -13.413 9.186 -6.481 710 H GLY 102 H GLY 102 -16.735 11.310 -2.907 711 HA2 GLY 102 1HA GLY 102 -17.365 8.603 -2.765 712 HA3 GLY 102 2HA GLY 102 -18.388 9.901 -2.167 713 HA PRO 103 HA PRO 103 -19.919 7.851 -6.276 714 HB2 PRO 103 1HB PRO 103 -21.113 5.574 -5.403 715 HB3 PRO 103 2HB PRO 103 -19.434 5.628 -5.954 716 HG2 PRO 103 1HG PRO 103 -20.512 5.661 -3.162 717 HG3 PRO 103 2HG PRO 103 -19.131 4.763 -3.817 718 HD2 PRO 103 1HD PRO 103 -18.840 7.054 -2.403 719 HD3 PRO 103 2HD PRO 103 -17.730 6.590 -3.708 720 H SER 104 H SER 104 -21.298 7.818 -3.022 721 HA SER 104 HA SER 104 -23.885 8.643 -4.166 722 HB2 SER 104 1HB SER 104 -23.885 6.494 -2.876 723 HB3 SER 104 2HB SER 104 -23.404 7.407 -1.446 724 HG SER 104 HG SER 104 -25.710 7.036 -1.675 725 H SER 105 H SER 105 -25.189 10.036 -2.612 726 HA SER 105 HA SER 105 -23.454 12.209 -1.702 727 HB2 SER 105 1HB SER 105 -25.484 13.590 -1.743 728 HB3 SER 105 2HB SER 105 -25.250 12.775 -3.289 729 HG SER 105 HG SER 105 -26.726 11.127 -2.370 730 H GLY 106 H GLY 106 -23.402 10.034 -0.025 731 HA2 GLY 106 1HA GLY 106 -23.359 10.512 2.435 732 HA3 GLY 106 2HA GLY 106 -25.060 10.919 2.256 Start of MODEL 12 1 H1 GLY 1 H GLY 1 4.327 -17.140 16.097 2 HA2 GLY 1 1HA GLY 1 5.160 -15.071 14.251 3 HA3 GLY 1 2HA GLY 1 6.040 -15.084 15.772 4 H SER 2 H SER 2 7.382 -15.453 13.419 5 HA SER 2 HA SER 2 8.455 -18.118 13.815 6 HB2 SER 2 1HB SER 2 7.262 -17.232 11.183 7 HB3 SER 2 2HB SER 2 8.391 -18.579 11.326 8 HG SER 2 HG SER 2 6.698 -19.184 13.089 9 H SER 3 H SER 3 10.602 -18.050 13.722 10 HA SER 3 HA SER 3 11.858 -15.721 12.431 11 HB2 SER 3 1HB SER 3 12.199 -15.904 14.884 12 HB3 SER 3 2HB SER 3 12.972 -17.469 14.639 13 HG SER 3 HG SER 3 13.855 -14.961 13.643 14 H GLY 4 H GLY 4 13.338 -16.003 10.857 15 HA2 GLY 4 1HA GLY 4 15.161 -17.320 9.910 16 HA3 GLY 4 2HA GLY 4 14.243 -18.762 10.317 17 H SER 5 H SER 5 15.225 -17.015 7.794 18 HA SER 5 HA SER 5 13.348 -18.184 6.002 19 HB2 SER 5 1HB SER 5 12.020 -16.240 6.841 20 HB3 SER 5 2HB SER 5 13.268 -15.165 6.212 21 HG SER 5 HG SER 5 11.215 -16.214 4.913 22 H SER 6 H SER 6 13.754 -17.370 3.702 23 HA SER 6 HA SER 6 16.641 -16.879 3.407 24 HB2 SER 6 1HB SER 6 16.511 -18.049 1.279 25 HB3 SER 6 2HB SER 6 15.812 -19.060 2.544 26 HG SER 6 HG SER 6 13.906 -18.890 1.639 27 H GLY 7 H GLY 7 17.384 -15.420 1.843 28 HA2 GLY 7 1HA GLY 7 17.059 -13.838 0.086 29 HA3 GLY 7 2HA GLY 7 15.360 -13.748 0.524 30 HA PRO 8 HA PRO 8 17.507 -9.999 2.213 31 HB2 PRO 8 1HB PRO 8 15.638 -8.240 1.330 32 HB3 PRO 8 2HB PRO 8 17.002 -8.769 0.339 33 HG2 PRO 8 1HG PRO 8 14.164 -9.721 0.318 34 HG3 PRO 8 2HG PRO 8 15.236 -9.369 -1.049 35 HD2 PRO 8 1HD PRO 8 14.767 -11.889 -0.178 36 HD3 PRO 8 2HD PRO 8 16.319 -11.397 -0.886 37 H LYS 9 H LYS 9 16.468 -8.259 3.625 38 HA LYS 9 HA LYS 9 14.525 -9.568 5.388 39 HB2 LYS 9 1HB LYS 9 16.530 -7.362 5.815 40 HB3 LYS 9 2HB LYS 9 15.249 -7.685 6.977 41 HG2 LYS 9 1HG LYS 9 17.095 -9.864 6.079 42 HG3 LYS 9 2HG LYS 9 17.560 -8.739 7.358 43 HD2 LYS 9 1HD LYS 9 15.927 -9.504 8.804 44 HD3 LYS 9 2HD LYS 9 14.916 -10.126 7.498 45 HE2 LYS 9 1HE LYS 9 15.752 -12.081 8.361 46 HE3 LYS 9 2HE LYS 9 16.948 -11.737 7.112 47 HZ1 LYS 9 1HZ LYS 9 18.343 -10.710 8.828 48 HZ2 LYS 9 2HZ LYS 9 18.041 -12.342 9.151 49 HZ3 LYS 9 3HZ LYS 9 17.213 -11.143 10.010 50 HA PRO 10 HA PRO 10 11.269 -6.780 4.441 51 HB2 PRO 10 1HB PRO 10 10.058 -6.523 6.857 52 HB3 PRO 10 2HB PRO 10 9.960 -7.996 5.885 53 HG2 PRO 10 1HG PRO 10 11.733 -7.380 8.218 54 HG3 PRO 10 2HG PRO 10 10.838 -8.867 7.855 55 HD2 PRO 10 1HD PRO 10 13.488 -8.605 7.364 56 HD3 PRO 10 2HD PRO 10 12.424 -9.605 6.354 57 HA PRO 11 HA PRO 11 12.644 -2.681 5.334 58 HB2 PRO 11 1HB PRO 11 10.407 -1.323 4.612 59 HB3 PRO 11 2HB PRO 11 11.510 -2.051 3.438 60 HG2 PRO 11 1HG PRO 11 8.908 -3.092 4.490 61 HG3 PRO 11 2HG PRO 11 9.523 -3.093 2.827 62 HD2 PRO 11 1HD PRO 11 9.615 -5.284 4.415 63 HD3 PRO 11 2HD PRO 11 10.848 -4.944 3.184 64 H ILE 12 H ILE 12 12.090 -0.785 6.643 65 HA ILE 12 HA ILE 12 10.225 -1.404 8.837 66 HB ILE 12 HB ILE 12 11.784 -0.257 10.394 67 HG12 ILE 12 1HG1 ILE 12 13.720 -0.440 8.075 68 HG13 ILE 12 2HG1 ILE 12 13.022 1.048 8.705 69 HG21 ILE 12 1HG2 ILE 12 12.589 -2.766 8.973 70 HG22 ILE 12 2HG2 ILE 12 13.547 -2.141 10.314 71 HG23 ILE 12 3HG2 ILE 12 11.856 -2.572 10.565 72 HD11 ILE 12 1HD1 ILE 12 15.117 0.998 9.669 73 HD12 ILE 12 2HD1 ILE 12 14.094 0.323 10.937 74 HD13 ILE 12 3HD1 ILE 12 15.070 -0.745 9.930 75 H ASP 13 H ASP 13 10.113 0.775 10.262 76 HA ASP 13 HA ASP 13 9.103 2.816 10.365 77 HB2 ASP 13 1HB ASP 13 11.545 3.249 9.460 78 HB3 ASP 13 2HB ASP 13 10.686 3.729 7.999 79 H LEU 14 H LEU 14 7.670 0.928 8.888 80 HA LEU 14 HA LEU 14 6.767 2.107 6.423 81 HB2 LEU 14 1HB LEU 14 6.822 -0.397 7.168 82 HB3 LEU 14 2HB LEU 14 5.258 -0.015 7.885 83 HG LEU 14 HG LEU 14 4.559 0.768 5.567 84 HD11 LEU 14 1HD1 LEU 14 6.177 -0.876 4.019 85 HD12 LEU 14 2HD1 LEU 14 7.297 0.013 5.050 86 HD13 LEU 14 3HD1 LEU 14 6.156 0.888 4.029 87 HD21 LEU 14 1HD2 LEU 14 4.000 -1.473 4.856 88 HD22 LEU 14 2HD2 LEU 14 3.837 -1.348 6.608 89 HD23 LEU 14 3HD2 LEU 14 5.244 -2.149 5.908 90 H VAL 15 H VAL 15 5.582 3.900 6.465 91 HA VAL 15 HA VAL 15 3.153 3.945 8.067 92 HB VAL 15 HB VAL 15 4.766 6.447 8.157 93 HG11 VAL 15 1HG1 VAL 15 3.628 6.563 10.404 94 HG12 VAL 15 2HG1 VAL 15 2.554 6.591 9.004 95 HG13 VAL 15 3HG1 VAL 15 2.744 5.109 9.942 96 HG21 VAL 15 1HG2 VAL 15 5.733 5.639 10.351 97 HG22 VAL 15 2HG2 VAL 15 5.286 4.010 9.845 98 HG23 VAL 15 3HG2 VAL 15 6.440 4.944 8.892 99 H VAL 16 H VAL 16 1.700 5.724 7.441 100 HA VAL 16 HA VAL 16 2.038 6.366 4.592 101 HB VAL 16 HB VAL 16 -0.482 6.296 6.258 102 HG11 VAL 16 1HG1 VAL 16 -0.352 7.972 4.336 103 HG12 VAL 16 2HG1 VAL 16 -0.326 6.565 3.271 104 HG13 VAL 16 3HG1 VAL 16 -1.706 6.842 4.334 105 HG21 VAL 16 1HG2 VAL 16 0.341 4.071 5.866 106 HG22 VAL 16 2HG2 VAL 16 -1.047 4.353 4.814 107 HG23 VAL 16 3HG2 VAL 16 0.588 4.418 4.154 108 H THR 17 H THR 17 2.119 8.422 3.900 109 HA THR 17 HA THR 17 1.909 10.537 5.934 110 HB THR 17 HB THR 17 4.111 10.369 4.864 111 HG1 THR 17 1HG THR 17 2.843 12.495 5.300 112 HG21 THR 17 1HG2 THR 17 4.416 10.826 2.508 113 HG22 THR 17 2HG2 THR 17 2.680 11.052 2.294 114 HG23 THR 17 3HG2 THR 17 3.319 9.459 2.697 115 H GLU 18 H GLU 18 1.051 9.745 2.585 116 HA GLU 18 HA GLU 18 -1.041 11.815 2.726 117 HB2 GLU 18 1HB GLU 18 0.842 11.081 0.531 118 HB3 GLU 18 2HB GLU 18 -0.774 11.622 0.097 119 HG2 GLU 18 1HG GLU 18 -0.340 13.648 1.545 120 HG3 GLU 18 2HG GLU 18 1.344 13.131 1.593 121 H THR 19 H THR 19 -3.068 11.314 1.920 122 HA THR 19 HA THR 19 -3.514 8.595 0.926 123 HB THR 19 HB THR 19 -5.648 8.650 2.458 124 HG1 THR 19 1HG THR 19 -5.130 10.768 3.298 125 HG21 THR 19 1HG2 THR 19 -3.311 8.070 4.137 126 HG22 THR 19 2HG2 THR 19 -3.272 7.316 2.544 127 HG23 THR 19 3HG2 THR 19 -4.630 7.017 3.627 128 H THR 20 H THR 20 -4.429 8.914 -0.993 129 HA THR 20 HA THR 20 -6.220 11.185 -1.400 130 HB THR 20 HB THR 20 -5.619 9.289 -3.615 131 HG1 THR 20 1HG THR 20 -3.711 10.795 -2.219 132 HG21 THR 20 1HG2 THR 20 -5.141 11.850 -4.463 133 HG22 THR 20 2HG2 THR 20 -6.387 12.089 -3.237 134 HG23 THR 20 3HG2 THR 20 -6.683 11.006 -4.598 135 H ALA 21 H ALA 21 -8.265 10.888 -2.519 136 HA ALA 21 HA ALA 21 -9.947 9.042 -1.296 137 HB1 ALA 21 1HB ALA 21 -10.235 10.713 -3.769 138 HB2 ALA 21 2HB ALA 21 -11.517 9.622 -3.241 139 HB3 ALA 21 3HB ALA 21 -10.984 10.932 -2.187 140 H THR 22 H THR 22 -8.009 8.757 -4.175 141 HA THR 22 HA THR 22 -8.904 5.968 -4.445 142 HB THR 22 HB THR 22 -8.781 6.107 -6.874 143 HG1 THR 22 1HG THR 22 -8.164 7.922 -7.900 144 HG21 THR 22 1HG2 THR 22 -10.914 6.656 -5.675 145 HG22 THR 22 2HG2 THR 22 -10.776 7.366 -7.284 146 HG23 THR 22 3HG2 THR 22 -10.506 8.362 -5.854 147 H SER 23 H SER 23 -6.495 7.546 -3.351 148 HA SER 23 HA SER 23 -4.510 5.683 -4.338 149 HB2 SER 23 1HB SER 23 -3.668 8.552 -4.392 150 HB3 SER 23 2HB SER 23 -3.027 7.179 -5.294 151 HG SER 23 HG SER 23 -4.790 7.266 -6.649 152 H VAL 24 H VAL 24 -2.371 6.049 -3.149 153 HA VAL 24 HA VAL 24 -2.555 7.400 -0.604 154 HB VAL 24 HB VAL 24 -3.673 5.448 0.116 155 HG11 VAL 24 1HG1 VAL 24 -1.975 3.283 -0.397 156 HG12 VAL 24 2HG1 VAL 24 -3.554 3.601 -1.116 157 HG13 VAL 24 3HG1 VAL 24 -2.089 4.171 -1.916 158 HG21 VAL 24 1HG2 VAL 24 -0.786 4.929 0.797 159 HG22 VAL 24 2HG2 VAL 24 -1.734 6.235 1.507 160 HG23 VAL 24 3HG2 VAL 24 -2.210 4.557 1.769 161 H THR 25 H THR 25 -0.548 7.493 0.515 162 HA THR 25 HA THR 25 1.764 6.735 -1.150 163 HB THR 25 HB THR 25 1.501 9.116 0.696 164 HG1 THR 25 1HG THR 25 1.468 10.301 -1.198 165 HG21 THR 25 1HG2 THR 25 3.743 9.367 -0.977 166 HG22 THR 25 2HG2 THR 25 3.813 7.735 -0.312 167 HG23 THR 25 3HG2 THR 25 3.729 9.126 0.769 168 H LEU 26 H LEU 26 3.191 5.389 -0.268 169 HA LEU 26 HA LEU 26 3.084 4.962 2.644 170 HB2 LEU 26 1HB LEU 26 2.479 3.075 1.031 171 HB3 LEU 26 2HB LEU 26 4.196 3.025 0.636 172 HG LEU 26 HG LEU 26 4.672 2.544 3.030 173 HD11 LEU 26 1HD1 LEU 26 2.830 1.821 4.464 174 HD12 LEU 26 2HD1 LEU 26 1.674 2.285 3.217 175 HD13 LEU 26 3HD1 LEU 26 2.663 3.515 4.003 176 HD21 LEU 26 1HD2 LEU 26 2.768 0.569 1.784 177 HD22 LEU 26 2HD2 LEU 26 4.080 0.231 2.913 178 HD23 LEU 26 3HD2 LEU 26 4.443 0.782 1.277 179 H THR 27 H THR 27 4.929 5.040 3.840 180 HA THR 27 HA THR 27 7.436 5.635 2.411 181 HB THR 27 HB THR 27 8.051 7.271 4.055 182 HG1 THR 27 1HG THR 27 6.995 6.241 5.857 183 HG21 THR 27 1HG2 THR 27 6.177 8.932 3.807 184 HG22 THR 27 2HG2 THR 27 5.234 7.649 3.048 185 HG23 THR 27 3HG2 THR 27 6.731 8.204 2.300 186 H TRP 28 H TRP 28 9.237 4.613 3.115 187 HA TRP 28 HA TRP 28 9.416 3.431 5.725 188 HB2 TRP 28 1HB TRP 28 9.526 1.122 5.072 189 HB3 TRP 28 2HB TRP 28 8.017 1.783 4.450 190 HD1 TRP 28 HD TRP 28 11.382 0.402 3.302 191 HE1 TRP 28 1HE TRP 28 11.277 -0.040 0.769 192 HE3 TRP 28 3HE TRP 28 6.867 2.574 2.286 193 HZ2 TRP 28 2HZ TRP 28 9.514 0.466 -1.377 194 HZ3 TRP 28 3HZ TRP 28 6.043 2.552 -0.032 195 HH2 TRP 28 HH TRP 28 7.341 1.520 -1.824 196 H ASP 29 H ASP 29 11.488 2.020 5.829 197 HA ASP 29 HA ASP 29 13.564 3.402 4.263 198 HB2 ASP 29 1HB ASP 29 13.461 3.634 6.833 199 HB3 ASP 29 2HB ASP 29 14.057 1.976 6.867 200 H SER 30 H SER 30 15.405 2.193 3.573 201 HA SER 30 HA SER 30 14.896 -0.136 2.234 202 HB2 SER 30 1HB SER 30 17.308 -0.438 2.040 203 HB3 SER 30 2HB SER 30 16.910 1.274 1.899 204 HG SER 30 HG SER 30 17.392 1.350 4.234 205 H GLY 31 H GLY 31 16.441 0.136 5.434 206 HA2 GLY 31 1HA GLY 31 16.250 -1.316 7.239 207 HA3 GLY 31 2HA GLY 31 15.261 -2.375 6.245 208 H ASN 32 H ASN 32 17.389 -2.308 4.117 209 HA ASN 32 HA ASN 32 19.222 -4.218 5.410 210 HB2 ASN 32 1HB ASN 32 18.022 -4.166 2.648 211 HB3 ASN 32 2HB ASN 32 19.468 -5.106 3.003 212 HD21 ASN 32 1HD2 ASN 32 16.058 -4.809 3.461 213 HD22 ASN 32 2HD2 ASN 32 15.810 -6.353 4.195 214 H SER 33 H SER 33 21.324 -4.468 4.105 215 HA SER 33 HA SER 33 22.314 -1.770 3.453 216 HB2 SER 33 1HB SER 33 23.219 -3.217 5.483 217 HB3 SER 33 2HB SER 33 24.184 -3.973 4.215 218 HG SER 33 HG SER 33 24.416 -1.439 3.763 219 H GLU 34 H GLU 34 21.909 -4.996 2.332 220 HA GLU 34 HA GLU 34 23.875 -4.889 0.251 221 HB2 GLU 34 1HB GLU 34 21.626 -6.749 0.943 222 HB3 GLU 34 2HB GLU 34 22.431 -6.882 -0.615 223 HG2 GLU 34 1HG GLU 34 23.737 -7.104 2.088 224 HG3 GLU 34 2HG GLU 34 23.383 -8.431 0.983 225 HA PRO 35 HA PRO 35 21.692 -2.747 -2.896 226 HB2 PRO 35 1HB PRO 35 22.575 -4.031 -5.119 227 HB3 PRO 35 2HB PRO 35 23.592 -2.936 -4.175 228 HG2 PRO 35 1HG PRO 35 23.482 -5.927 -4.133 229 HG3 PRO 35 2HG PRO 35 24.897 -4.859 -4.108 230 HD2 PRO 35 1HD PRO 35 23.919 -6.033 -1.873 231 HD3 PRO 35 2HD PRO 35 24.697 -4.437 -1.851 232 H VAL 36 H VAL 36 19.555 -3.419 -2.327 233 HA VAL 36 HA VAL 36 18.447 -5.864 -3.318 234 HB VAL 36 HB VAL 36 16.708 -3.554 -2.580 235 HG11 VAL 36 1HG1 VAL 36 15.959 -5.851 -1.217 236 HG12 VAL 36 2HG1 VAL 36 15.238 -5.223 -2.700 237 HG13 VAL 36 3HG1 VAL 36 16.517 -6.435 -2.784 238 HG21 VAL 36 1HG2 VAL 36 18.663 -4.911 -0.790 239 HG22 VAL 36 2HG2 VAL 36 18.131 -3.230 -0.810 240 HG23 VAL 36 3HG2 VAL 36 17.078 -4.480 -0.146 241 H THR 37 H THR 37 16.948 -6.146 -4.986 242 HA THR 37 HA THR 37 17.378 -4.478 -7.276 243 HB THR 37 HB THR 37 15.443 -6.776 -6.925 244 HG1 THR 37 1HG THR 37 17.849 -7.112 -6.708 245 HG21 THR 37 1HG2 THR 37 14.865 -5.329 -8.814 246 HG22 THR 37 2HG2 THR 37 15.474 -6.887 -9.373 247 HG23 THR 37 3HG2 THR 37 16.513 -5.463 -9.426 248 H TYR 38 H TYR 38 14.390 -5.444 -5.575 249 HA TYR 38 HA TYR 38 13.361 -2.752 -5.727 250 HB2 TYR 38 1HB TYR 38 11.478 -3.175 -7.110 251 HB3 TYR 38 2HB TYR 38 12.868 -3.816 -7.980 252 HD1 TYR 38 2HD TYR 38 13.170 -6.224 -8.241 253 HD2 TYR 38 1HD TYR 38 9.774 -4.645 -6.222 254 HE1 TYR 38 2HE TYR 38 12.053 -8.408 -8.424 255 HE2 TYR 38 1HE TYR 38 8.648 -6.825 -6.399 256 HH TYR 38 HH TYR 38 10.120 -9.515 -8.162 257 H TYR 39 H TYR 39 11.084 -2.673 -4.797 258 HA TYR 39 HA TYR 39 10.804 -4.727 -2.702 259 HB2 TYR 39 1HB TYR 39 10.263 -1.758 -2.502 260 HB3 TYR 39 2HB TYR 39 9.890 -2.932 -1.245 261 HD1 TYR 39 1HD TYR 39 12.820 -1.951 -3.358 262 HD2 TYR 39 2HD TYR 39 11.397 -3.090 0.486 263 HE1 TYR 39 1HE TYR 39 15.089 -1.687 -2.447 264 HE2 TYR 39 2HE TYR 39 13.662 -2.828 1.409 265 HH TYR 39 HH TYR 39 15.732 -2.016 1.005 266 H GLY 40 H GLY 40 9.097 -5.945 -3.191 267 HA2 GLY 40 1HA GLY 40 6.950 -5.082 -4.839 268 HA3 GLY 40 2HA GLY 40 7.003 -6.569 -3.905 269 H ILE 41 H ILE 41 4.681 -5.032 -4.241 270 HA ILE 41 HA ILE 41 4.172 -4.295 -1.448 271 HB ILE 41 HB ILE 41 3.278 -2.666 -3.830 272 HG12 ILE 41 1HG1 ILE 41 5.088 -1.905 -1.528 273 HG13 ILE 41 2HG1 ILE 41 5.657 -2.363 -3.129 274 HG21 ILE 41 1HG2 ILE 41 2.083 -2.995 -1.284 275 HG22 ILE 41 2HG2 ILE 41 2.792 -1.382 -1.340 276 HG23 ILE 41 3HG2 ILE 41 1.631 -1.877 -2.571 277 HD11 ILE 41 1HD1 ILE 41 4.641 -0.444 -4.111 278 HD12 ILE 41 2HD1 ILE 41 3.826 -0.039 -2.600 279 HD13 ILE 41 3HD1 ILE 41 5.582 0.084 -2.716 280 H GLN 42 H GLN 42 2.422 -5.261 -0.654 281 HA GLN 42 HA GLN 42 0.420 -6.297 -2.553 282 HB2 GLN 42 1HB GLN 42 1.596 -7.539 -0.082 283 HB3 GLN 42 2HB GLN 42 0.022 -8.041 -0.685 284 HG2 GLN 42 1HG GLN 42 1.486 -9.578 -1.614 285 HG3 GLN 42 2HG GLN 42 1.213 -8.423 -2.918 286 HE21 GLN 42 1HE2 GLN 42 3.328 -9.860 -3.294 287 HE22 GLN 42 2HE2 GLN 42 4.791 -9.024 -2.914 288 H TYR 43 H TYR 43 -1.590 -5.588 -2.283 289 HA TYR 43 HA TYR 43 -2.487 -4.735 0.365 290 HB2 TYR 43 1HB TYR 43 -3.413 -2.640 -0.524 291 HB3 TYR 43 2HB TYR 43 -1.663 -2.692 -0.701 292 HD1 TYR 43 2HD TYR 43 -4.869 -2.746 -2.470 293 HD2 TYR 43 1HD TYR 43 -0.637 -2.848 -2.896 294 HE1 TYR 43 2HE TYR 43 -5.106 -2.275 -4.872 295 HE2 TYR 43 1HE TYR 43 -0.862 -2.375 -5.299 296 HH TYR 43 HH TYR 43 -3.523 -1.164 -6.693 297 H ARG 44 H ARG 44 -4.781 -4.650 0.594 298 HA ARG 44 HA ARG 44 -6.492 -5.453 -1.568 299 HB2 ARG 44 1HB ARG 44 -5.617 -7.635 -1.052 300 HB3 ARG 44 2HB ARG 44 -5.882 -7.387 0.668 301 HG2 ARG 44 1HG ARG 44 -8.355 -7.194 0.095 302 HG3 ARG 44 2HG ARG 44 -7.916 -7.846 -1.485 303 HD2 ARG 44 1HD ARG 44 -8.435 -9.778 -0.369 304 HD3 ARG 44 2HD ARG 44 -6.707 -9.672 -0.036 305 HE ARG 44 HE ARG 44 -7.923 -8.347 2.035 306 HH11 ARG 44 2HH1 ARG 44 -8.075 -11.551 0.682 307 HH12 ARG 44 1HH1 ARG 44 -8.465 -12.310 2.190 308 HH21 ARG 44 2HH2 ARG 44 -8.435 -9.335 4.026 309 HH22 ARG 44 1HH2 ARG 44 -8.670 -11.049 4.091 310 H ALA 45 H ALA 45 -8.704 -5.268 -1.064 311 HA ALA 45 HA ALA 45 -9.385 -3.283 0.769 312 HB1 ALA 45 1HB ALA 45 -10.855 -3.599 -1.027 313 HB2 ALA 45 2HB ALA 45 -11.030 -5.323 -0.695 314 HB3 ALA 45 3HB ALA 45 -11.760 -4.138 0.387 315 H ALA 46 H ALA 46 -9.128 -3.448 2.903 316 HA ALA 46 HA ALA 46 -9.009 -5.777 4.409 317 HB1 ALA 46 1HB ALA 46 -9.667 -2.946 5.171 318 HB2 ALA 46 2HB ALA 46 -9.547 -4.242 6.362 319 HB3 ALA 46 3HB ALA 46 -8.146 -3.816 5.379 320 H GLY 47 H GLY 47 -10.718 -7.152 3.787 321 HA2 GLY 47 1HA GLY 47 -12.861 -7.424 5.411 322 HA3 GLY 47 2HA GLY 47 -13.458 -6.317 4.183 323 H THR 48 H THR 48 -12.358 -7.271 1.891 324 HA THR 48 HA THR 48 -14.034 -9.457 1.278 325 HB THR 48 HB THR 48 -13.101 -7.670 -0.321 326 HG1 THR 48 1HG THR 48 -12.998 -9.414 -2.035 327 HG21 THR 48 1HG2 THR 48 -10.852 -9.679 -0.487 328 HG22 THR 48 2HG2 THR 48 -10.722 -8.066 0.215 329 HG23 THR 48 3HG2 THR 48 -11.063 -8.256 -1.505 330 H GLU 49 H GLU 49 -13.139 -11.460 0.132 331 HA GLU 49 HA GLU 49 -11.002 -12.594 1.810 332 HB2 GLU 49 1HB GLU 49 -13.269 -13.989 0.375 333 HB3 GLU 49 2HB GLU 49 -12.012 -14.797 1.303 334 HG2 GLU 49 1HG GLU 49 -12.808 -13.305 3.249 335 HG3 GLU 49 2HG GLU 49 -14.254 -13.073 2.269 336 H GLY 50 H GLY 50 -11.625 -11.474 -1.255 337 HA2 GLY 50 1HA GLY 50 -10.430 -13.357 -2.945 338 HA3 GLY 50 2HA GLY 50 -10.499 -11.627 -3.248 339 HA PRO 51 HA PRO 51 -6.078 -13.093 -2.500 340 HB2 PRO 51 1HB PRO 51 -5.129 -12.531 -4.981 341 HB3 PRO 51 2HB PRO 51 -5.826 -14.097 -4.551 342 HG2 PRO 51 1HG PRO 51 -7.088 -11.791 -5.982 343 HG3 PRO 51 2HG PRO 51 -7.192 -13.524 -6.343 344 HD2 PRO 51 1HD PRO 51 -9.157 -12.186 -5.048 345 HD3 PRO 51 2HD PRO 51 -8.793 -13.894 -4.727 346 H PHE 52 H PHE 52 -4.125 -11.732 -2.660 347 HA PHE 52 HA PHE 52 -4.840 -8.905 -2.401 348 HB2 PHE 52 1HB PHE 52 -2.457 -10.500 -1.460 349 HB3 PHE 52 2HB PHE 52 -2.527 -8.744 -1.362 350 HD1 PHE 52 2HD PHE 52 -4.659 -11.678 -0.476 351 HD2 PHE 52 1HD PHE 52 -3.173 -7.849 0.642 352 HE1 PHE 52 2HE PHE 52 -5.842 -11.851 1.675 353 HE2 PHE 52 1HE PHE 52 -4.353 -8.016 2.795 354 HZ PHE 52 HZ PHE 52 -5.690 -10.018 3.313 355 H GLN 53 H GLN 53 -3.892 -7.299 -3.592 356 HA GLN 53 HA GLN 53 -3.028 -7.887 -6.188 357 HB2 GLN 53 1HB GLN 53 -2.587 -5.344 -4.614 358 HB3 GLN 53 2HB GLN 53 -2.479 -5.506 -6.362 359 HG2 GLN 53 1HG GLN 53 -4.960 -5.928 -4.711 360 HG3 GLN 53 2HG GLN 53 -4.586 -4.494 -5.665 361 HE21 GLN 53 1HE2 GLN 53 -6.708 -6.675 -5.754 362 HE22 GLN 53 2HE2 GLN 53 -6.730 -7.158 -7.413 363 H GLU 54 H GLU 54 -0.916 -7.081 -7.127 364 HA GLU 54 HA GLU 54 1.365 -7.356 -5.335 365 HB2 GLU 54 1HB GLU 54 0.693 -9.645 -6.258 366 HB3 GLU 54 2HB GLU 54 1.217 -9.045 -7.825 367 HG2 GLU 54 1HG GLU 54 3.416 -8.470 -6.528 368 HG3 GLU 54 2HG GLU 54 2.825 -9.697 -5.408 369 H VAL 55 H VAL 55 2.756 -5.794 -5.789 370 HA VAL 55 HA VAL 55 2.909 -4.802 -8.562 371 HB VAL 55 HB VAL 55 3.251 -3.193 -6.028 372 HG11 VAL 55 1HG1 VAL 55 3.782 -2.621 -8.894 373 HG12 VAL 55 2HG1 VAL 55 3.106 -1.329 -7.900 374 HG13 VAL 55 3HG1 VAL 55 4.640 -2.076 -7.453 375 HG21 VAL 55 1HG2 VAL 55 0.962 -3.451 -6.211 376 HG22 VAL 55 2HG2 VAL 55 1.234 -1.971 -7.132 377 HG23 VAL 55 3HG2 VAL 55 1.003 -3.504 -7.974 378 H ASP 56 H ASP 56 4.838 -4.956 -9.491 379 HA ASP 56 HA ASP 56 7.221 -5.144 -7.769 380 HB2 ASP 56 1HB ASP 56 8.182 -6.780 -9.285 381 HB3 ASP 56 2HB ASP 56 6.616 -7.353 -8.716 382 H GLY 57 H GLY 57 8.919 -3.887 -8.310 383 HA2 GLY 57 1HA GLY 57 10.218 -2.947 -10.237 384 HA3 GLY 57 2HA GLY 57 8.675 -2.338 -10.816 385 H VAL 58 H VAL 58 9.582 -2.342 -7.434 386 HA VAL 58 HA VAL 58 9.557 0.598 -7.499 387 HB VAL 58 HB VAL 58 9.080 -1.298 -5.195 388 HG11 VAL 58 1HG1 VAL 58 8.964 1.717 -5.231 389 HG12 VAL 58 2HG1 VAL 58 8.586 0.670 -3.862 390 HG13 VAL 58 3HG1 VAL 58 10.235 0.752 -4.481 391 HG21 VAL 58 1HG2 VAL 58 7.033 -1.353 -6.111 392 HG22 VAL 58 2HG2 VAL 58 6.862 0.271 -5.447 393 HG23 VAL 58 3HG2 VAL 58 7.344 0.053 -7.129 394 H ALA 59 H ALA 59 11.693 1.022 -7.998 395 HA ALA 59 HA ALA 59 13.802 -0.162 -6.380 396 HB1 ALA 59 1HB ALA 59 15.301 0.576 -7.962 397 HB2 ALA 59 2HB ALA 59 13.854 0.339 -8.942 398 HB3 ALA 59 3HB ALA 59 14.306 1.960 -8.416 399 H THR 60 H THR 60 11.768 1.784 -5.317 400 HA THR 60 HA THR 60 13.698 3.692 -4.176 401 HB THR 60 HB THR 60 11.789 5.344 -4.022 402 HG1 THR 60 1HG THR 60 10.583 3.288 -5.492 403 HG21 THR 60 1HG2 THR 60 11.882 5.498 -6.764 404 HG22 THR 60 2HG2 THR 60 13.332 4.571 -6.380 405 HG23 THR 60 3HG2 THR 60 13.086 6.162 -5.661 406 H THR 61 H THR 61 12.765 4.725 -2.129 407 HA THR 61 HA THR 61 11.795 2.561 -0.436 408 HB THR 61 HB THR 61 12.294 4.148 1.441 409 HG1 THR 61 1HG THR 61 13.272 6.081 0.981 410 HG21 THR 61 1HG2 THR 61 13.968 2.521 0.120 411 HG22 THR 61 2HG2 THR 61 14.471 3.498 1.500 412 HG23 THR 61 3HG2 THR 61 14.795 4.056 -0.141 413 H ARG 62 H ARG 62 10.521 5.175 -2.120 414 HA ARG 62 HA ARG 62 8.139 5.203 -0.385 415 HB2 ARG 62 1HB ARG 62 9.653 7.356 -0.682 416 HB3 ARG 62 2HB ARG 62 8.741 7.512 -2.178 417 HG2 ARG 62 1HG ARG 62 6.669 7.610 -0.972 418 HG3 ARG 62 2HG ARG 62 7.493 7.264 0.549 419 HD2 ARG 62 1HD ARG 62 8.022 9.688 -1.163 420 HD3 ARG 62 2HD ARG 62 6.926 9.668 0.218 421 HE ARG 62 HE ARG 62 9.454 8.717 1.009 422 HH11 ARG 62 2HH1 ARG 62 7.849 11.656 0.058 423 HH12 ARG 62 1HH1 ARG 62 8.903 12.682 0.974 424 HH21 ARG 62 2HH2 ARG 62 10.848 10.057 2.220 425 HH22 ARG 62 1HH2 ARG 62 10.608 11.771 2.203 426 H TYR 63 H TYR 63 6.282 4.611 -1.310 427 HA TYR 63 HA TYR 63 5.939 4.857 -4.196 428 HB2 TYR 63 1HB TYR 63 6.895 2.609 -3.854 429 HB3 TYR 63 2HB TYR 63 5.589 2.228 -2.737 430 HD1 TYR 63 2HD TYR 63 3.282 1.953 -3.578 431 HD2 TYR 63 1HD TYR 63 6.559 2.554 -6.225 432 HE1 TYR 63 2HE TYR 63 1.907 1.153 -5.454 433 HE2 TYR 63 1HE TYR 63 5.192 1.757 -8.108 434 HH TYR 63 HH TYR 63 3.202 1.029 -8.760 435 H SER 64 H SER 64 3.806 4.999 -4.857 436 HA SER 64 HA SER 64 1.832 5.195 -2.678 437 HB2 SER 64 1HB SER 64 0.676 6.885 -4.014 438 HB3 SER 64 2HB SER 64 2.355 7.359 -3.758 439 HG SER 64 HG SER 64 2.652 6.218 -5.904 440 H ILE 65 H ILE 65 -0.135 4.218 -2.900 441 HA ILE 65 HA ILE 65 -0.400 2.384 -5.181 442 HB ILE 65 HB ILE 65 -1.696 2.287 -2.455 443 HG12 ILE 65 1HG1 ILE 65 -0.324 0.001 -2.624 444 HG13 ILE 65 2HG1 ILE 65 0.670 0.976 -3.701 445 HG21 ILE 65 1HG2 ILE 65 -2.146 0.726 -4.950 446 HG22 ILE 65 2HG2 ILE 65 -2.265 -0.099 -3.397 447 HG23 ILE 65 3HG2 ILE 65 -3.304 1.283 -3.743 448 HD11 ILE 65 1HD1 ILE 65 0.992 2.611 -1.920 449 HD12 ILE 65 2HD1 ILE 65 -0.001 1.628 -0.842 450 HD13 ILE 65 3HD1 ILE 65 1.537 1.004 -1.439 451 H GLY 66 H GLY 66 -2.143 2.434 -6.508 452 HA2 GLY 66 1HA GLY 66 -4.293 4.346 -5.848 453 HA3 GLY 66 2HA GLY 66 -3.544 4.336 -7.438 454 H GLY 67 H GLY 67 -6.184 4.080 -7.437 455 HA2 GLY 67 1HA GLY 67 -7.647 2.697 -8.635 456 HA3 GLY 67 2HA GLY 67 -6.540 1.353 -8.392 457 H LEU 68 H LEU 68 -7.316 3.193 -5.607 458 HA LEU 68 HA LEU 68 -8.884 0.945 -4.584 459 HB2 LEU 68 1HB LEU 68 -7.868 3.301 -3.019 460 HB3 LEU 68 2HB LEU 68 -8.387 1.731 -2.407 461 HG LEU 68 HG LEU 68 -5.925 2.142 -4.097 462 HD11 LEU 68 1HD1 LEU 68 -6.361 2.338 -1.160 463 HD12 LEU 68 2HD1 LEU 68 -5.285 3.262 -2.208 464 HD13 LEU 68 3HD1 LEU 68 -4.868 1.610 -1.754 465 HD21 LEU 68 1HD2 LEU 68 -7.367 -0.159 -3.314 466 HD22 LEU 68 2HD2 LEU 68 -5.870 -0.134 -2.381 467 HD23 LEU 68 3HD2 LEU 68 -5.813 -0.072 -4.144 468 H SER 69 H SER 69 -10.617 1.651 -2.920 469 HA SER 69 HA SER 69 -12.371 3.548 -4.299 470 HB2 SER 69 1HB SER 69 -13.505 1.515 -4.000 471 HB3 SER 69 2HB SER 69 -12.858 1.286 -2.375 472 HG SER 69 HG SER 69 -14.205 2.912 -1.637 473 HA PRO 70 HA PRO 70 -11.897 6.625 -1.189 474 HB2 PRO 70 1HB PRO 70 -14.241 7.951 -1.531 475 HB3 PRO 70 2HB PRO 70 -12.897 8.064 -2.674 476 HG2 PRO 70 1HG PRO 70 -15.377 6.393 -2.826 477 HG3 PRO 70 2HG PRO 70 -14.583 7.335 -4.101 478 HD2 PRO 70 1HD PRO 70 -14.287 4.654 -3.872 479 HD3 PRO 70 2HD PRO 70 -12.999 5.707 -4.492 480 H PHE 71 H PHE 71 -12.228 6.669 0.948 481 HA PHE 71 HA PHE 71 -13.206 6.422 2.996 482 HB2 PHE 71 1HB PHE 71 -15.296 7.190 1.561 483 HB3 PHE 71 2HB PHE 71 -15.805 5.526 1.830 484 HD1 PHE 71 2HD PHE 71 -14.150 8.111 3.957 485 HD2 PHE 71 1HD PHE 71 -17.395 5.399 3.470 486 HE1 PHE 71 2HE PHE 71 -15.002 8.736 6.179 487 HE2 PHE 71 1HE PHE 71 -18.252 6.021 5.691 488 HZ PHE 71 HZ PHE 71 -17.054 7.691 7.049 489 H SER 72 H SER 72 -11.889 4.280 1.556 490 HA SER 72 HA SER 72 -13.200 1.963 2.822 491 HB2 SER 72 1HB SER 72 -12.354 0.545 1.073 492 HB3 SER 72 2HB SER 72 -13.157 1.914 0.304 493 HG SER 72 HG SER 72 -10.963 2.863 0.238 494 H GLU 73 H GLU 73 -11.638 0.186 3.375 495 HA GLU 73 HA GLU 73 -9.137 1.351 4.410 496 HB2 GLU 73 1HB GLU 73 -11.034 0.501 6.006 497 HB3 GLU 73 2HB GLU 73 -10.398 -1.088 5.606 498 HG2 GLU 73 1HG GLU 73 -8.192 -0.406 6.410 499 HG3 GLU 73 2HG GLU 73 -8.840 1.181 6.823 500 H TYR 74 H TYR 74 -7.258 0.425 3.861 501 HA TYR 74 HA TYR 74 -7.298 -2.259 2.671 502 HB2 TYR 74 1HB TYR 74 -6.265 0.272 1.457 503 HB3 TYR 74 2HB TYR 74 -5.439 -1.242 1.105 504 HD1 TYR 74 1HD TYR 74 -8.606 0.605 0.749 505 HD2 TYR 74 2HD TYR 74 -6.432 -2.892 -0.323 506 HE1 TYR 74 1HE TYR 74 -10.273 0.109 -0.991 507 HE2 TYR 74 2HE TYR 74 -8.091 -3.397 -2.066 508 HH TYR 74 HH TYR 74 -11.030 -1.490 -2.412 509 H ALA 75 H ALA 75 -5.444 -3.484 2.977 510 HA ALA 75 HA ALA 75 -3.630 -2.453 5.043 511 HB1 ALA 75 1HB ALA 75 -3.040 -5.034 5.061 512 HB2 ALA 75 2HB ALA 75 -4.436 -4.392 5.929 513 HB3 ALA 75 3HB ALA 75 -4.651 -5.154 4.353 514 H PHE 76 H PHE 76 -1.772 -1.674 4.305 515 HA PHE 76 HA PHE 76 -0.643 -2.724 1.821 516 HB2 PHE 76 1HB PHE 76 0.194 -0.329 3.469 517 HB3 PHE 76 2HB PHE 76 0.832 -0.767 1.888 518 HD1 PHE 76 1HD PHE 76 -0.672 -0.678 -0.102 519 HD2 PHE 76 2HD PHE 76 -1.806 0.889 3.689 520 HE1 PHE 76 1HE PHE 76 -2.440 0.649 -1.183 521 HE2 PHE 76 2HE PHE 76 -3.576 2.218 2.615 522 HZ PHE 76 HZ PHE 76 -3.896 2.098 0.176 523 H ARG 77 H ARG 77 1.565 -3.354 1.671 524 HA ARG 77 HA ARG 77 3.184 -3.672 4.006 525 HB2 ARG 77 1HB ARG 77 3.204 -6.077 4.135 526 HB3 ARG 77 2HB ARG 77 1.543 -5.521 4.295 527 HG2 ARG 77 1HG ARG 77 1.589 -5.927 1.660 528 HG3 ARG 77 2HG ARG 77 2.821 -7.093 2.146 529 HD2 ARG 77 1HD ARG 77 0.165 -6.970 3.531 530 HD3 ARG 77 2HD ARG 77 0.366 -7.866 2.026 531 HE ARG 77 HE ARG 77 2.345 -8.874 3.498 532 HH11 ARG 77 2HH1 ARG 77 -0.994 -8.268 4.276 533 HH12 ARG 77 1HH1 ARG 77 -1.100 -9.570 5.415 534 HH21 ARG 77 2HH2 ARG 77 2.218 -10.590 4.995 535 HH22 ARG 77 1HH2 ARG 77 0.728 -10.889 5.824 536 H VAL 78 H VAL 78 5.143 -3.261 3.247 537 HA VAL 78 HA VAL 78 5.791 -3.933 0.475 538 HB VAL 78 HB VAL 78 7.460 -2.327 2.408 539 HG11 VAL 78 1HG1 VAL 78 8.916 -2.742 0.721 540 HG12 VAL 78 2HG1 VAL 78 7.637 -3.030 -0.460 541 HG13 VAL 78 3HG1 VAL 78 8.073 -1.380 -0.015 542 HG21 VAL 78 1HG2 VAL 78 5.067 -1.480 1.899 543 HG22 VAL 78 2HG2 VAL 78 6.422 -0.363 1.738 544 HG23 VAL 78 3HG2 VAL 78 5.717 -1.106 0.303 545 H LEU 79 H LEU 79 7.897 -4.862 -0.029 546 HA LEU 79 HA LEU 79 9.305 -6.267 2.069 547 HB2 LEU 79 1HB LEU 79 9.048 -8.459 0.803 548 HB3 LEU 79 2HB LEU 79 7.684 -7.917 1.777 549 HG LEU 79 HG LEU 79 6.914 -6.909 -0.561 550 HD11 LEU 79 1HD1 LEU 79 7.773 -7.839 -2.416 551 HD12 LEU 79 2HD1 LEU 79 7.993 -9.414 -1.654 552 HD13 LEU 79 3HD1 LEU 79 9.178 -8.134 -1.391 553 HD21 LEU 79 1HD2 LEU 79 5.262 -8.349 -0.208 554 HD22 LEU 79 2HD2 LEU 79 6.252 -9.116 1.034 555 HD23 LEU 79 3HD2 LEU 79 6.299 -9.714 -0.625 556 H ALA 80 H ALA 80 11.407 -6.423 1.589 557 HA ALA 80 HA ALA 80 12.421 -5.299 -0.813 558 HB1 ALA 80 1HB ALA 80 14.061 -4.978 0.664 559 HB2 ALA 80 2HB ALA 80 13.500 -6.291 1.700 560 HB3 ALA 80 3HB ALA 80 14.541 -6.640 0.320 561 H VAL 81 H VAL 81 13.383 -6.250 -2.576 562 HA VAL 81 HA VAL 81 13.416 -9.176 -2.729 563 HB VAL 81 HB VAL 81 12.202 -7.463 -4.899 564 HG11 VAL 81 1HG1 VAL 81 12.628 -9.254 -6.155 565 HG12 VAL 81 2HG1 VAL 81 13.097 -10.217 -4.752 566 HG13 VAL 81 3HG1 VAL 81 11.398 -10.093 -5.211 567 HG21 VAL 81 1HG2 VAL 81 10.462 -7.373 -3.459 568 HG22 VAL 81 2HG2 VAL 81 10.164 -9.004 -4.060 569 HG23 VAL 81 3HG2 VAL 81 11.015 -8.770 -2.533 570 H ASN 82 H ASN 82 14.999 -10.024 -4.033 571 HA ASN 82 HA ASN 82 16.535 -8.303 -5.786 572 HB2 ASN 82 1HB ASN 82 18.582 -8.397 -4.675 573 HB3 ASN 82 2HB ASN 82 17.445 -8.150 -3.353 574 HD21 ASN 82 1HD2 ASN 82 17.138 -9.741 -1.857 575 HD22 ASN 82 2HD2 ASN 82 18.098 -11.176 -1.787 576 H SER 83 H SER 83 18.590 -9.735 -6.509 577 HA SER 83 HA SER 83 17.835 -11.617 -8.242 578 HB2 SER 83 1HB SER 83 20.333 -11.484 -6.573 579 HB3 SER 83 2HB SER 83 20.105 -12.778 -7.749 580 HG SER 83 HG SER 83 20.235 -9.990 -8.208 581 H ILE 84 H ILE 84 18.679 -12.361 -4.865 582 HA ILE 84 HA ILE 84 18.234 -15.094 -4.909 583 HB ILE 84 HB ILE 84 17.610 -13.244 -2.605 584 HG12 ILE 84 1HG1 ILE 84 19.833 -12.745 -3.118 585 HG13 ILE 84 2HG1 ILE 84 19.991 -14.028 -1.923 586 HG21 ILE 84 1HG2 ILE 84 18.388 -15.376 -1.346 587 HG22 ILE 84 2HG2 ILE 84 16.746 -15.295 -1.982 588 HG23 ILE 84 3HG2 ILE 84 17.985 -16.199 -2.853 589 HD11 ILE 84 1HD1 ILE 84 21.538 -14.391 -3.724 590 HD12 ILE 84 2HD1 ILE 84 20.298 -15.645 -3.756 591 HD13 ILE 84 3HD1 ILE 84 20.234 -14.311 -4.908 592 H GLY 85 H GLY 85 15.911 -12.604 -3.823 593 HA2 GLY 85 1HA GLY 85 13.696 -13.424 -5.206 594 HA3 GLY 85 2HA GLY 85 13.735 -14.475 -3.798 595 H ARG 86 H ARG 86 11.584 -13.311 -3.567 596 HA ARG 86 HA ARG 86 11.825 -10.628 -2.450 597 HB2 ARG 86 1HB ARG 86 9.352 -10.688 -2.378 598 HB3 ARG 86 2HB ARG 86 9.990 -10.999 -3.987 599 HG2 ARG 86 1HG ARG 86 9.532 -13.326 -3.806 600 HG3 ARG 86 2HG ARG 86 9.143 -13.173 -2.092 601 HD2 ARG 86 1HD ARG 86 7.599 -11.561 -4.063 602 HD3 ARG 86 2HD ARG 86 7.252 -13.284 -3.924 603 HE ARG 86 HE ARG 86 7.296 -11.948 -1.392 604 HH11 ARG 86 2HH1 ARG 86 5.347 -12.666 -4.185 605 HH12 ARG 86 1HH1 ARG 86 3.843 -12.505 -3.340 606 HH21 ARG 86 2HH2 ARG 86 5.323 -11.733 -0.267 607 HH22 ARG 86 1HH2 ARG 86 3.831 -11.973 -1.111 608 H GLY 87 H GLY 87 11.856 -10.203 -0.334 609 HA2 GLY 87 1HA GLY 87 11.869 -12.386 1.546 610 HA3 GLY 87 2HA GLY 87 12.128 -10.687 1.915 611 HA PRO 88 HA PRO 88 7.939 -12.083 3.484 612 HB2 PRO 88 1HB PRO 88 8.369 -11.394 6.074 613 HB3 PRO 88 2HB PRO 88 8.787 -12.982 5.421 614 HG2 PRO 88 1HG PRO 88 10.548 -10.610 5.907 615 HG3 PRO 88 2HG PRO 88 10.860 -12.323 6.243 616 HD2 PRO 88 1HD PRO 88 11.864 -11.058 4.070 617 HD3 PRO 88 2HD PRO 88 11.426 -12.779 4.055 618 HA PRO 89 HA PRO 89 6.379 -7.964 3.287 619 HB2 PRO 89 1HB PRO 89 3.971 -8.335 4.483 620 HB3 PRO 89 2HB PRO 89 4.333 -8.913 2.853 621 HG2 PRO 89 1HG PRO 89 4.335 -10.419 5.440 622 HG3 PRO 89 2HG PRO 89 3.699 -10.911 3.860 623 HD2 PRO 89 1HD PRO 89 6.093 -11.763 4.796 624 HD3 PRO 89 2HD PRO 89 5.780 -11.508 3.068 625 H SER 90 H SER 90 6.949 -6.276 4.491 626 HA SER 90 HA SER 90 7.702 -6.412 7.177 627 HB2 SER 90 1HB SER 90 8.615 -4.595 6.047 628 HB3 SER 90 2HB SER 90 7.078 -4.155 5.303 629 HG SER 90 HG SER 90 6.378 -3.391 7.308 630 H GLU 91 H GLU 91 6.708 -4.887 8.884 631 HA GLU 91 HA GLU 91 4.344 -5.905 9.808 632 HB2 GLU 91 1HB GLU 91 4.154 -3.794 11.168 633 HB3 GLU 91 2HB GLU 91 5.702 -4.619 11.281 634 HG2 GLU 91 1HG GLU 91 6.503 -3.012 9.477 635 HG3 GLU 91 2HG GLU 91 5.038 -2.091 9.813 636 H ALA 92 H ALA 92 2.745 -6.104 8.266 637 HA ALA 92 HA ALA 92 1.840 -4.319 6.415 638 HB1 ALA 92 1HB ALA 92 0.214 -6.225 8.091 639 HB2 ALA 92 2HB ALA 92 -0.390 -5.397 6.655 640 HB3 ALA 92 3HB ALA 92 0.945 -6.540 6.517 641 H VAL 93 H VAL 93 0.691 -2.470 6.374 642 HA VAL 93 HA VAL 93 -0.303 -1.433 8.949 643 HB VAL 93 HB VAL 93 0.142 0.837 8.094 644 HG11 VAL 93 1HG1 VAL 93 2.587 0.762 8.300 645 HG12 VAL 93 2HG1 VAL 93 1.795 -0.252 9.507 646 HG13 VAL 93 3HG1 VAL 93 2.544 -0.988 8.090 647 HG21 VAL 93 1HG2 VAL 93 0.010 0.138 5.671 648 HG22 VAL 93 2HG2 VAL 93 1.320 1.245 6.080 649 HG23 VAL 93 3HG2 VAL 93 1.657 -0.470 5.846 650 H ARG 94 H ARG 94 -2.297 -0.465 9.007 651 HA ARG 94 HA ARG 94 -3.936 -0.796 6.588 652 HB2 ARG 94 1HB ARG 94 -4.587 -0.857 9.522 653 HB3 ARG 94 2HB ARG 94 -5.843 -0.570 8.325 654 HG2 ARG 94 1HG ARG 94 -4.987 -2.730 7.221 655 HG3 ARG 94 2HG ARG 94 -4.193 -3.024 8.769 656 HD2 ARG 94 1HD ARG 94 -6.221 -3.153 9.918 657 HD3 ARG 94 2HD ARG 94 -7.108 -2.344 8.627 658 HE ARG 94 HE ARG 94 -6.149 -4.679 7.529 659 HH11 ARG 94 2HH1 ARG 94 -8.226 -3.796 10.179 660 HH12 ARG 94 1HH1 ARG 94 -9.177 -5.241 10.087 661 HH21 ARG 94 2HH2 ARG 94 -7.393 -6.586 7.396 662 HH22 ARG 94 1HH2 ARG 94 -8.702 -6.828 8.504 663 H ALA 95 H ALA 95 -4.586 0.960 5.544 664 HA ALA 95 HA ALA 95 -4.927 3.468 7.035 665 HB1 ALA 95 1HB ALA 95 -2.729 3.540 5.955 666 HB2 ALA 95 2HB ALA 95 -3.491 3.241 4.392 667 HB3 ALA 95 3HB ALA 95 -3.832 4.733 5.268 668 H ARG 96 H ARG 96 -6.803 4.443 6.620 669 HA ARG 96 HA ARG 96 -8.497 3.369 4.509 670 HB2 ARG 96 1HB ARG 96 -9.138 3.935 7.012 671 HB3 ARG 96 2HB ARG 96 -9.392 5.544 6.349 672 HG2 ARG 96 1HG ARG 96 -10.921 4.514 4.659 673 HG3 ARG 96 2HG ARG 96 -10.773 2.997 5.548 674 HD2 ARG 96 1HD ARG 96 -11.614 5.540 6.901 675 HD3 ARG 96 2HD ARG 96 -12.778 4.512 6.066 676 HE ARG 96 HE ARG 96 -11.557 2.766 7.694 677 HH11 ARG 96 2HH1 ARG 96 -12.927 5.915 8.267 678 HH12 ARG 96 1HH1 ARG 96 -13.364 5.570 9.907 679 HH21 ARG 96 2HH2 ARG 96 -12.128 2.300 9.852 680 HH22 ARG 96 1HH2 ARG 96 -12.909 3.513 10.808 681 H THR 97 H THR 97 -8.793 4.339 2.618 682 HA THR 97 HA THR 97 -7.479 6.804 2.006 683 HB THR 97 HB THR 97 -8.103 6.463 -0.228 684 HG1 THR 97 1HG THR 97 -10.281 5.014 0.862 685 HG21 THR 97 1HG2 THR 97 -7.181 4.429 -0.644 686 HG22 THR 97 2HG2 THR 97 -8.252 3.593 0.481 687 HG23 THR 97 3HG2 THR 97 -6.857 4.484 1.089 688 H GLY 98 H GLY 98 -8.449 8.749 1.263 689 HA2 GLY 98 1HA GLY 98 -10.578 9.682 2.833 690 HA3 GLY 98 2HA GLY 98 -9.931 10.494 1.415 691 H GLU 99 H GLU 99 -12.582 10.714 1.934 692 HA GLU 99 HA GLU 99 -13.990 8.729 0.333 693 HB2 GLU 99 1HB GLU 99 -16.025 9.899 1.036 694 HB3 GLU 99 2HB GLU 99 -15.027 9.468 2.418 695 HG2 GLU 99 1HG GLU 99 -15.805 11.644 2.829 696 HG3 GLU 99 2HG GLU 99 -14.119 11.816 2.346 697 H GLN 100 H GLN 100 -15.744 9.711 -1.165 698 HA GLN 100 HA GLN 100 -14.905 12.124 -2.537 699 HB2 GLN 100 1HB GLN 100 -13.648 10.029 -3.456 700 HB3 GLN 100 2HB GLN 100 -15.189 9.658 -4.218 701 HG2 GLN 100 1HG GLN 100 -15.103 11.508 -5.599 702 HG3 GLN 100 2HG GLN 100 -13.959 12.356 -4.561 703 HE21 GLN 100 1HE2 GLN 100 -12.319 12.724 -5.925 704 HE22 GLN 100 2HE2 GLN 100 -11.439 11.496 -6.762 705 H SER 101 H SER 101 -16.409 12.541 -4.462 706 HA SER 101 HA SER 101 -19.136 11.950 -3.570 707 HB2 SER 101 1HB SER 101 -18.026 14.081 -5.405 708 HB3 SER 101 2HB SER 101 -19.751 13.834 -5.134 709 HG SER 101 HG SER 101 -17.797 14.497 -3.184 710 H GLY 102 H GLY 102 -17.709 9.902 -4.915 711 HA2 GLY 102 1HA GLY 102 -18.750 9.880 -7.644 712 HA3 GLY 102 2HA GLY 102 -17.662 8.696 -6.937 713 HA PRO 103 HA PRO 103 -20.978 5.923 -6.242 714 HB2 PRO 103 1HB PRO 103 -20.357 4.829 -3.836 715 HB3 PRO 103 2HB PRO 103 -19.458 4.470 -5.315 716 HG2 PRO 103 1HG PRO 103 -18.787 6.375 -3.105 717 HG3 PRO 103 2HG PRO 103 -17.728 5.243 -3.966 718 HD2 PRO 103 1HD PRO 103 -17.808 7.888 -4.541 719 HD3 PRO 103 2HD PRO 103 -17.482 6.652 -5.773 720 H SER 104 H SER 104 -22.513 7.749 -6.030 721 HA SER 104 HA SER 104 -23.393 8.185 -3.256 722 HB2 SER 104 1HB SER 104 -22.817 10.203 -4.642 723 HB3 SER 104 2HB SER 104 -24.165 9.791 -5.702 724 HG SER 104 HG SER 104 -24.182 10.767 -3.085 725 H SER 105 H SER 105 -25.222 7.282 -2.586 726 HA SER 105 HA SER 105 -26.672 5.428 -4.032 727 HB2 SER 105 1HB SER 105 -27.218 6.992 -1.543 728 HB3 SER 105 2HB SER 105 -28.528 6.049 -2.253 729 HG SER 105 HG SER 105 -26.038 5.148 -1.268 730 H GLY 106 H GLY 106 -27.464 8.845 -3.439 731 HA2 GLY 106 1HA GLY 106 -29.727 8.658 -5.275 732 HA3 GLY 106 2HA GLY 106 -29.316 10.039 -4.268 Start of MODEL 13 1 H1 GLY 1 H GLY 1 17.192 -20.381 20.354 2 HA2 GLY 1 1HA GLY 1 18.587 -18.976 18.634 3 HA3 GLY 1 2HA GLY 1 18.236 -20.658 18.263 4 H SER 2 H SER 2 18.700 -19.309 16.114 5 HA SER 2 HA SER 2 16.074 -18.508 15.040 6 HB2 SER 2 1HB SER 2 18.001 -16.781 15.142 7 HB3 SER 2 2HB SER 2 18.698 -17.699 13.807 8 HG SER 2 HG SER 2 16.999 -17.167 12.539 9 H SER 3 H SER 3 15.805 -18.929 12.687 10 HA SER 3 HA SER 3 16.879 -21.585 12.046 11 HB2 SER 3 1HB SER 3 14.353 -21.117 12.170 12 HB3 SER 3 2HB SER 3 14.566 -20.246 10.651 13 HG SER 3 HG SER 3 15.038 -22.092 9.634 14 H GLY 4 H GLY 4 18.654 -19.539 11.628 15 HA2 GLY 4 1HA GLY 4 20.141 -18.879 9.997 16 HA3 GLY 4 2HA GLY 4 19.231 -19.853 8.851 17 H SER 5 H SER 5 19.453 -18.240 7.257 18 HA SER 5 HA SER 5 17.489 -16.092 7.533 19 HB2 SER 5 1HB SER 5 19.014 -14.409 6.646 20 HB3 SER 5 2HB SER 5 19.692 -15.109 8.115 21 HG SER 5 HG SER 5 20.365 -16.226 5.633 22 H SER 6 H SER 6 16.216 -15.995 5.806 23 HA SER 6 HA SER 6 17.176 -17.209 3.298 24 HB2 SER 6 1HB SER 6 14.437 -17.196 4.560 25 HB3 SER 6 2HB SER 6 14.673 -17.557 2.850 26 HG SER 6 HG SER 6 15.952 -19.308 3.431 27 H GLY 7 H GLY 7 17.530 -15.777 1.744 28 HA2 GLY 7 1HA GLY 7 17.339 -13.922 0.406 29 HA3 GLY 7 2HA GLY 7 15.637 -13.919 0.840 30 HA PRO 8 HA PRO 8 17.573 -10.036 2.480 31 HB2 PRO 8 1HB PRO 8 15.611 -8.393 1.573 32 HB3 PRO 8 2HB PRO 8 17.004 -8.861 0.590 33 HG2 PRO 8 1HG PRO 8 14.222 -9.967 0.581 34 HG3 PRO 8 2HG PRO 8 15.274 -9.575 -0.791 35 HD2 PRO 8 1HD PRO 8 14.943 -12.105 0.114 36 HD3 PRO 8 2HD PRO 8 16.466 -11.538 -0.600 37 H LYS 9 H LYS 9 16.216 -8.217 3.691 38 HA LYS 9 HA LYS 9 14.399 -9.641 5.518 39 HB2 LYS 9 1HB LYS 9 16.379 -7.426 5.944 40 HB3 LYS 9 2HB LYS 9 15.033 -7.638 7.057 41 HG2 LYS 9 1HG LYS 9 15.928 -10.141 7.041 42 HG3 LYS 9 2HG LYS 9 17.434 -9.316 6.634 43 HD2 LYS 9 1HD LYS 9 17.588 -9.250 8.908 44 HD3 LYS 9 2HD LYS 9 16.679 -7.759 8.649 45 HE2 LYS 9 1HE LYS 9 14.621 -9.408 8.833 46 HE3 LYS 9 2HE LYS 9 15.781 -10.377 9.741 47 HZ1 LYS 9 1HZ LYS 9 16.093 -8.613 11.281 48 HZ2 LYS 9 2HZ LYS 9 14.425 -8.836 11.113 49 HZ3 LYS 9 3HZ LYS 9 15.186 -7.534 10.345 50 HA PRO 10 HA PRO 10 11.057 -6.973 4.535 51 HB2 PRO 10 1HB PRO 10 9.859 -6.659 6.951 52 HB3 PRO 10 2HB PRO 10 9.795 -8.170 6.037 53 HG2 PRO 10 1HG PRO 10 11.568 -7.416 8.328 54 HG3 PRO 10 2HG PRO 10 10.714 -8.941 8.029 55 HD2 PRO 10 1HD PRO 10 13.351 -8.621 7.505 56 HD3 PRO 10 2HD PRO 10 12.308 -9.689 6.543 57 HA PRO 11 HA PRO 11 12.310 -2.803 5.262 58 HB2 PRO 11 1HB PRO 11 10.020 -1.541 4.531 59 HB3 PRO 11 2HB PRO 11 11.126 -2.276 3.365 60 HG2 PRO 11 1HG PRO 11 8.575 -3.358 4.498 61 HG3 PRO 11 2HG PRO 11 9.162 -3.400 2.825 62 HD2 PRO 11 1HD PRO 11 9.348 -5.529 4.488 63 HD3 PRO 11 2HD PRO 11 10.551 -5.196 3.225 64 H ILE 12 H ILE 12 11.925 -1.005 6.641 65 HA ILE 12 HA ILE 12 10.019 -1.536 8.826 66 HB ILE 12 HB ILE 12 11.573 -0.479 10.385 67 HG12 ILE 12 1HG1 ILE 12 13.617 -0.488 8.164 68 HG13 ILE 12 2HG1 ILE 12 12.672 0.938 8.578 69 HG21 ILE 12 1HG2 ILE 12 13.517 -2.342 9.485 70 HG22 ILE 12 2HG2 ILE 12 12.322 -2.530 10.768 71 HG23 ILE 12 3HG2 ILE 12 11.919 -2.989 9.114 72 HD11 ILE 12 1HD1 ILE 12 15.022 -0.158 9.846 73 HD12 ILE 12 2HD1 ILE 12 14.283 1.436 10.013 74 HD13 ILE 12 3HD1 ILE 12 13.709 0.090 10.997 75 H ASP 13 H ASP 13 9.730 0.580 10.177 76 HA ASP 13 HA ASP 13 8.806 2.656 10.274 77 HB2 ASP 13 1HB ASP 13 11.239 3.074 9.327 78 HB3 ASP 13 2HB ASP 13 10.355 3.541 7.876 79 H LEU 14 H LEU 14 7.406 0.709 8.792 80 HA LEU 14 HA LEU 14 6.482 1.784 6.314 81 HB2 LEU 14 1HB LEU 14 6.439 -0.657 7.217 82 HB3 LEU 14 2HB LEU 14 4.913 -0.166 7.950 83 HG LEU 14 HG LEU 14 4.064 0.404 5.690 84 HD11 LEU 14 1HD1 LEU 14 5.805 -1.095 4.076 85 HD12 LEU 14 2HD1 LEU 14 6.815 0.015 5.001 86 HD13 LEU 14 3HD1 LEU 14 5.494 0.640 4.015 87 HD21 LEU 14 1HD2 LEU 14 3.857 -1.877 6.868 88 HD22 LEU 14 2HD2 LEU 14 5.032 -2.433 5.675 89 HD23 LEU 14 3HD2 LEU 14 3.480 -1.782 5.147 90 H VAL 15 H VAL 15 5.549 3.750 6.402 91 HA VAL 15 HA VAL 15 3.043 3.973 7.880 92 HB VAL 15 HB VAL 15 4.821 6.357 8.000 93 HG11 VAL 15 1HG1 VAL 15 2.856 6.936 8.956 94 HG12 VAL 15 2HG1 VAL 15 2.451 5.274 9.389 95 HG13 VAL 15 3HG1 VAL 15 3.587 6.192 10.378 96 HG21 VAL 15 1HG2 VAL 15 5.790 5.583 10.130 97 HG22 VAL 15 2HG2 VAL 15 5.071 3.994 9.861 98 HG23 VAL 15 3HG2 VAL 15 6.309 4.600 8.760 99 H VAL 16 H VAL 16 1.613 5.557 7.053 100 HA VAL 16 HA VAL 16 2.201 6.293 4.274 101 HB VAL 16 HB VAL 16 0.199 5.131 4.246 102 HG11 VAL 16 1HG1 VAL 16 -0.255 4.746 6.508 103 HG12 VAL 16 2HG1 VAL 16 -0.382 6.469 6.869 104 HG13 VAL 16 3HG1 VAL 16 -1.648 5.666 5.939 105 HG21 VAL 16 1HG2 VAL 16 -0.918 7.874 4.721 106 HG22 VAL 16 2HG2 VAL 16 0.082 7.519 3.312 107 HG23 VAL 16 3HG2 VAL 16 -1.435 6.654 3.557 108 H THR 17 H THR 17 2.584 8.335 3.737 109 HA THR 17 HA THR 17 2.319 10.415 5.744 110 HB THR 17 HB THR 17 4.375 10.252 4.362 111 HG1 THR 17 1HG THR 17 2.784 12.602 4.202 112 HG21 THR 17 1HG2 THR 17 2.793 11.367 2.068 113 HG22 THR 17 2HG2 THR 17 3.005 9.627 2.266 114 HG23 THR 17 3HG2 THR 17 4.413 10.669 2.065 115 H GLU 18 H GLU 18 1.114 9.738 2.473 116 HA GLU 18 HA GLU 18 -1.028 11.703 2.959 117 HB2 GLU 18 1HB GLU 18 0.609 11.209 0.493 118 HB3 GLU 18 2HB GLU 18 -1.017 11.864 0.362 119 HG2 GLU 18 1HG GLU 18 -0.239 13.639 2.028 120 HG3 GLU 18 2HG GLU 18 1.392 13.082 1.659 121 H THR 19 H THR 19 -3.082 11.213 2.103 122 HA THR 19 HA THR 19 -3.465 8.513 1.033 123 HB THR 19 HB THR 19 -5.578 8.482 2.614 124 HG1 THR 19 1HG THR 19 -5.407 10.300 3.781 125 HG21 THR 19 1HG2 THR 19 -3.065 7.875 4.078 126 HG22 THR 19 2HG2 THR 19 -3.328 7.063 2.534 127 HG23 THR 19 3HG2 THR 19 -4.502 6.882 3.837 128 H THR 20 H THR 20 -4.429 8.862 -0.857 129 HA THR 20 HA THR 20 -6.283 11.094 -1.168 130 HB THR 20 HB THR 20 -5.704 9.255 -3.435 131 HG1 THR 20 1HG THR 20 -3.806 11.002 -2.237 132 HG21 THR 20 1HG2 THR 20 -5.325 11.766 -4.335 133 HG22 THR 20 2HG2 THR 20 -6.406 12.088 -2.979 134 HG23 THR 20 3HG2 THR 20 -6.906 10.988 -4.264 135 H ALA 21 H ALA 21 -8.283 10.682 -2.485 136 HA ALA 21 HA ALA 21 -9.922 8.797 -1.180 137 HB1 ALA 21 1HB ALA 21 -10.664 10.948 -2.251 138 HB2 ALA 21 2HB ALA 21 -10.538 10.128 -3.808 139 HB3 ALA 21 3HB ALA 21 -11.675 9.544 -2.593 140 H THR 22 H THR 22 -8.102 8.688 -4.163 141 HA THR 22 HA THR 22 -8.944 5.886 -4.509 142 HB THR 22 HB THR 22 -8.666 6.179 -6.964 143 HG1 THR 22 1HG THR 22 -8.249 8.860 -6.151 144 HG21 THR 22 1HG2 THR 22 -10.684 8.223 -6.438 145 HG22 THR 22 2HG2 THR 22 -10.834 6.811 -5.392 146 HG23 THR 22 3HG2 THR 22 -10.858 6.618 -7.145 147 H SER 23 H SER 23 -6.530 7.492 -3.378 148 HA SER 23 HA SER 23 -4.542 5.625 -4.353 149 HB2 SER 23 1HB SER 23 -4.506 8.524 -5.029 150 HB3 SER 23 2HB SER 23 -2.971 7.779 -4.582 151 HG SER 23 HG SER 23 -4.634 7.268 -6.778 152 H VAL 24 H VAL 24 -2.377 6.084 -3.187 153 HA VAL 24 HA VAL 24 -2.586 7.424 -0.643 154 HB VAL 24 HB VAL 24 -3.659 5.453 0.092 155 HG11 VAL 24 1HG1 VAL 24 -2.094 3.260 -0.351 156 HG12 VAL 24 2HG1 VAL 24 -3.512 3.705 -1.302 157 HG13 VAL 24 3HG1 VAL 24 -1.900 4.160 -1.855 158 HG21 VAL 24 1HG2 VAL 24 -1.648 6.296 1.413 159 HG22 VAL 24 2HG2 VAL 24 -2.218 4.667 1.775 160 HG23 VAL 24 3HG2 VAL 24 -0.786 4.897 0.773 161 H THR 25 H THR 25 -0.578 7.565 0.467 162 HA THR 25 HA THR 25 1.747 6.811 -1.182 163 HB THR 25 HB THR 25 1.644 9.207 0.649 164 HG1 THR 25 1HG THR 25 1.262 10.426 -1.232 165 HG21 THR 25 1HG2 THR 25 3.697 7.906 -0.896 166 HG22 THR 25 2HG2 THR 25 3.834 9.254 0.232 167 HG23 THR 25 3HG2 THR 25 3.455 9.557 -1.463 168 H LEU 26 H LEU 26 2.797 5.197 -0.225 169 HA LEU 26 HA LEU 26 2.988 5.180 2.711 170 HB2 LEU 26 1HB LEU 26 1.936 3.232 1.388 171 HB3 LEU 26 2HB LEU 26 3.595 2.835 0.946 172 HG LEU 26 HG LEU 26 4.032 2.795 3.487 173 HD11 LEU 26 1HD1 LEU 26 2.257 2.557 4.946 174 HD12 LEU 26 2HD1 LEU 26 1.118 2.155 3.661 175 HD13 LEU 26 3HD1 LEU 26 1.678 3.816 3.855 176 HD21 LEU 26 1HD2 LEU 26 3.135 0.447 3.608 177 HD22 LEU 26 2HD2 LEU 26 4.165 0.794 2.219 178 HD23 LEU 26 3HD2 LEU 26 2.413 0.722 2.023 179 H THR 27 H THR 27 4.956 5.023 3.712 180 HA THR 27 HA THR 27 7.337 5.069 1.976 181 HB THR 27 HB THR 27 8.348 6.571 3.808 182 HG1 THR 27 1HG THR 27 6.774 7.816 4.927 183 HG21 THR 27 1HG2 THR 27 6.192 8.029 2.355 184 HG22 THR 27 2HG2 THR 27 7.405 7.160 1.414 185 HG23 THR 27 3HG2 THR 27 7.900 8.428 2.534 186 H TRP 28 H TRP 28 9.372 4.565 3.203 187 HA TRP 28 HA TRP 28 9.321 3.243 5.687 188 HB2 TRP 28 1HB TRP 28 9.598 0.921 4.985 189 HB3 TRP 28 2HB TRP 28 8.048 1.546 4.428 190 HD1 TRP 28 HD TRP 28 11.408 0.292 3.145 191 HE1 TRP 28 1HE TRP 28 11.247 -0.063 0.601 192 HE3 TRP 28 3HE TRP 28 6.826 2.403 2.318 193 HZ2 TRP 28 2HZ TRP 28 9.420 0.480 -1.481 194 HZ3 TRP 28 3HZ TRP 28 5.944 2.446 0.022 195 HH2 TRP 28 HH TRP 28 7.216 1.504 -1.838 196 H ASP 29 H ASP 29 11.394 1.831 5.932 197 HA ASP 29 HA ASP 29 13.570 3.301 4.611 198 HB2 ASP 29 1HB ASP 29 13.253 3.247 7.192 199 HB3 ASP 29 2HB ASP 29 13.924 1.623 7.076 200 H SER 30 H SER 30 15.471 2.154 3.960 201 HA SER 30 HA SER 30 15.051 -0.053 2.380 202 HB2 SER 30 1HB SER 30 17.559 0.990 3.687 203 HB3 SER 30 2HB SER 30 17.588 -0.402 2.605 204 HG SER 30 HG SER 30 16.926 0.870 0.941 205 H GLY 31 H GLY 31 16.350 -0.008 5.693 206 HA2 GLY 31 1HA GLY 31 16.124 -1.613 7.350 207 HA3 GLY 31 2HA GLY 31 15.200 -2.597 6.225 208 H ASN 32 H ASN 32 17.061 -2.820 4.150 209 HA ASN 32 HA ASN 32 18.958 -4.661 5.397 210 HB2 ASN 32 1HB ASN 32 17.938 -4.339 2.578 211 HB3 ASN 32 2HB ASN 32 19.315 -5.369 2.958 212 HD21 ASN 32 1HD2 ASN 32 15.891 -4.921 3.277 213 HD22 ASN 32 2HD2 ASN 32 15.527 -6.516 3.834 214 H SER 33 H SER 33 21.163 -4.795 4.464 215 HA SER 33 HA SER 33 22.235 -2.092 4.096 216 HB2 SER 33 1HB SER 33 23.089 -3.608 5.946 217 HB3 SER 33 2HB SER 33 23.806 -4.606 4.681 218 HG SER 33 HG SER 33 24.641 -2.217 5.699 219 H GLU 34 H GLU 34 21.956 -5.196 2.540 220 HA GLU 34 HA GLU 34 23.880 -4.649 0.483 221 HB2 GLU 34 1HB GLU 34 21.750 -6.764 0.787 222 HB3 GLU 34 2HB GLU 34 22.812 -6.672 -0.611 223 HG2 GLU 34 1HG GLU 34 24.738 -7.073 0.730 224 HG3 GLU 34 2HG GLU 34 23.802 -6.919 2.216 225 HA PRO 35 HA PRO 35 21.431 -2.334 -2.331 226 HB2 PRO 35 1HB PRO 35 22.469 -3.158 -4.701 227 HB3 PRO 35 2HB PRO 35 23.337 -2.092 -3.591 228 HG2 PRO 35 1HG PRO 35 23.612 -5.047 -3.983 229 HG3 PRO 35 2HG PRO 35 24.879 -3.823 -3.780 230 HD2 PRO 35 1HD PRO 35 24.062 -5.424 -1.755 231 HD3 PRO 35 2HD PRO 35 24.628 -3.762 -1.489 232 H VAL 36 H VAL 36 19.412 -3.392 -1.865 233 HA VAL 36 HA VAL 36 18.573 -5.796 -3.063 234 HB VAL 36 HB VAL 36 16.789 -3.497 -2.264 235 HG11 VAL 36 1HG1 VAL 36 15.592 -5.165 -3.490 236 HG12 VAL 36 2HG1 VAL 36 16.328 -6.462 -2.546 237 HG13 VAL 36 3HG1 VAL 36 15.188 -5.352 -1.784 238 HG21 VAL 36 1HG2 VAL 36 16.671 -5.032 -0.119 239 HG22 VAL 36 2HG2 VAL 36 18.298 -5.477 -0.636 240 HG23 VAL 36 3HG2 VAL 36 17.912 -3.791 -0.293 241 H THR 37 H THR 37 17.019 -6.105 -4.766 242 HA THR 37 HA THR 37 17.615 -4.495 -7.074 243 HB THR 37 HB THR 37 15.690 -6.811 -6.787 244 HG1 THR 37 1HG THR 37 18.185 -6.971 -6.524 245 HG21 THR 37 1HG2 THR 37 15.570 -5.071 -8.778 246 HG22 THR 37 2HG2 THR 37 15.388 -6.802 -9.060 247 HG23 THR 37 3HG2 THR 37 16.934 -6.015 -9.373 248 H TYR 38 H TYR 38 14.632 -5.314 -5.303 249 HA TYR 38 HA TYR 38 13.569 -2.688 -5.632 250 HB2 TYR 38 1HB TYR 38 11.833 -3.058 -7.168 251 HB3 TYR 38 2HB TYR 38 13.226 -3.841 -7.907 252 HD1 TYR 38 2HD TYR 38 13.367 -6.281 -8.019 253 HD2 TYR 38 1HD TYR 38 9.960 -4.349 -6.357 254 HE1 TYR 38 2HE TYR 38 12.102 -8.384 -8.183 255 HE2 TYR 38 1HE TYR 38 8.686 -6.447 -6.515 256 HH TYR 38 HH TYR 38 8.827 -8.580 -7.990 257 H TYR 39 H TYR 39 11.305 -2.551 -4.771 258 HA TYR 39 HA TYR 39 10.839 -4.653 -2.758 259 HB2 TYR 39 1HB TYR 39 10.529 -1.659 -2.500 260 HB3 TYR 39 2HB TYR 39 9.882 -2.804 -1.330 261 HD1 TYR 39 1HD TYR 39 13.089 -1.876 -3.000 262 HD2 TYR 39 2HD TYR 39 11.192 -3.432 0.476 263 HE1 TYR 39 1HE TYR 39 15.255 -1.897 -1.834 264 HE2 TYR 39 2HE TYR 39 13.353 -3.456 1.652 265 HH TYR 39 HH TYR 39 15.703 -1.930 1.216 266 H GLY 40 H GLY 40 8.967 -5.672 -2.979 267 HA2 GLY 40 1HA GLY 40 6.956 -4.643 -4.791 268 HA3 GLY 40 2HA GLY 40 6.934 -6.203 -3.981 269 H ILE 41 H ILE 41 4.661 -4.618 -4.213 270 HA ILE 41 HA ILE 41 4.172 -3.980 -1.386 271 HB ILE 41 HB ILE 41 3.179 -2.341 -3.721 272 HG12 ILE 41 1HG1 ILE 41 5.098 -1.606 -1.499 273 HG13 ILE 41 2HG1 ILE 41 5.570 -1.983 -3.153 274 HG21 ILE 41 1HG2 ILE 41 1.496 -1.829 -2.350 275 HG22 ILE 41 2HG2 ILE 41 2.274 -2.609 -0.974 276 HG23 ILE 41 3HG2 ILE 41 2.686 -0.947 -1.394 277 HD11 ILE 41 1HD1 ILE 41 5.007 0.510 -2.140 278 HD12 ILE 41 2HD1 ILE 41 5.106 0.073 -3.846 279 HD13 ILE 41 3HD1 ILE 41 3.544 0.086 -3.028 280 H GLN 42 H GLN 42 2.459 -4.999 -0.579 281 HA GLN 42 HA GLN 42 0.467 -6.079 -2.463 282 HB2 GLN 42 1HB GLN 42 1.641 -7.254 0.044 283 HB3 GLN 42 2HB GLN 42 0.098 -7.809 -0.590 284 HG2 GLN 42 1HG GLN 42 1.232 -8.332 -2.735 285 HG3 GLN 42 2HG GLN 42 2.766 -7.913 -1.975 286 HE21 GLN 42 1HE2 GLN 42 3.421 -10.077 -2.464 287 HE22 GLN 42 2HE2 GLN 42 2.943 -11.381 -1.437 288 H TYR 43 H TYR 43 -1.632 -5.635 -2.109 289 HA TYR 43 HA TYR 43 -2.544 -4.717 0.486 290 HB2 TYR 43 1HB TYR 43 -3.494 -2.624 -0.389 291 HB3 TYR 43 2HB TYR 43 -1.739 -2.643 -0.532 292 HD1 TYR 43 1HD TYR 43 -0.699 -3.058 -2.772 293 HD2 TYR 43 2HD TYR 43 -4.878 -2.415 -2.301 294 HE1 TYR 43 1HE TYR 43 -0.885 -2.553 -5.172 295 HE2 TYR 43 2HE TYR 43 -5.076 -1.909 -4.700 296 HH TYR 43 HH TYR 43 -3.851 -2.389 -6.790 297 H ARG 44 H ARG 44 -4.713 -5.036 0.813 298 HA ARG 44 HA ARG 44 -6.452 -5.677 -1.416 299 HB2 ARG 44 1HB ARG 44 -5.537 -7.849 -1.077 300 HB3 ARG 44 2HB ARG 44 -5.664 -7.705 0.671 301 HG2 ARG 44 1HG ARG 44 -7.399 -9.141 0.050 302 HG3 ARG 44 2HG ARG 44 -8.178 -7.581 0.322 303 HD2 ARG 44 1HD ARG 44 -7.804 -7.238 -2.221 304 HD3 ARG 44 2HD ARG 44 -7.605 -8.989 -2.256 305 HE ARG 44 HE ARG 44 -9.945 -8.548 -0.889 306 HH11 ARG 44 2HH1 ARG 44 -8.697 -7.773 -4.045 307 HH12 ARG 44 1HH1 ARG 44 -10.252 -7.797 -4.809 308 HH21 ARG 44 2HH2 ARG 44 -11.997 -8.584 -1.883 309 HH22 ARG 44 1HH2 ARG 44 -12.129 -8.258 -3.579 310 H ALA 45 H ALA 45 -8.584 -5.308 -0.978 311 HA ALA 45 HA ALA 45 -9.429 -3.531 0.852 312 HB1 ALA 45 1HB ALA 45 -11.567 -5.356 0.686 313 HB2 ALA 45 2HB ALA 45 -11.312 -3.891 -0.263 314 HB3 ALA 45 3HB ALA 45 -10.705 -5.439 -0.850 315 H ALA 46 H ALA 46 -9.617 -3.406 2.990 316 HA ALA 46 HA ALA 46 -8.913 -5.597 4.667 317 HB1 ALA 46 1HB ALA 46 -10.005 -2.861 5.304 318 HB2 ALA 46 2HB ALA 46 -9.477 -4.025 6.520 319 HB3 ALA 46 3HB ALA 46 -8.321 -3.383 5.354 320 H GLY 47 H GLY 47 -10.470 -7.208 4.147 321 HA2 GLY 47 1HA GLY 47 -12.525 -7.583 5.906 322 HA3 GLY 47 2HA GLY 47 -13.273 -6.731 4.564 323 H THR 48 H THR 48 -12.033 -7.810 2.390 324 HA THR 48 HA THR 48 -13.228 -10.450 2.330 325 HB THR 48 HB THR 48 -11.835 -9.008 0.070 326 HG1 THR 48 1HG THR 48 -14.422 -8.752 1.146 327 HG21 THR 48 1HG2 THR 48 -13.531 -11.447 0.306 328 HG22 THR 48 2HG2 THR 48 -12.115 -11.151 -0.703 329 HG23 THR 48 3HG2 THR 48 -13.675 -10.459 -1.147 330 H GLU 49 H GLU 49 -12.177 -12.360 2.174 331 HA GLU 49 HA GLU 49 -9.264 -12.289 2.486 332 HB2 GLU 49 1HB GLU 49 -11.408 -14.209 3.263 333 HB3 GLU 49 2HB GLU 49 -9.800 -14.848 2.953 334 HG2 GLU 49 1HG GLU 49 -9.027 -12.976 4.575 335 HG3 GLU 49 2HG GLU 49 -10.712 -12.981 5.093 336 H GLY 50 H GLY 50 -9.186 -11.759 0.119 337 HA2 GLY 50 1HA GLY 50 -9.247 -14.260 -1.455 338 HA3 GLY 50 2HA GLY 50 -9.705 -12.707 -2.138 339 HA PRO 51 HA PRO 51 -5.280 -13.424 -3.229 340 HB2 PRO 51 1HB PRO 51 -5.525 -12.491 -5.766 341 HB3 PRO 51 2HB PRO 51 -5.877 -14.165 -5.320 342 HG2 PRO 51 1HG PRO 51 -7.765 -11.879 -5.734 343 HG3 PRO 51 2HG PRO 51 -7.912 -13.562 -6.270 344 HD2 PRO 51 1HD PRO 51 -9.203 -12.609 -4.089 345 HD3 PRO 51 2HD PRO 51 -8.637 -14.288 -4.206 346 H PHE 52 H PHE 52 -4.015 -11.893 -2.392 347 HA PHE 52 HA PHE 52 -4.755 -9.118 -2.410 348 HB2 PHE 52 1HB PHE 52 -2.336 -10.611 -1.404 349 HB3 PHE 52 2HB PHE 52 -2.453 -8.856 -1.332 350 HD1 PHE 52 2HD PHE 52 -4.703 -11.733 -0.548 351 HD2 PHE 52 1HD PHE 52 -2.996 -8.051 0.735 352 HE1 PHE 52 2HE PHE 52 -5.933 -11.907 1.576 353 HE2 PHE 52 1HE PHE 52 -4.223 -8.220 2.861 354 HZ PHE 52 HZ PHE 52 -5.695 -10.149 3.284 355 H GLN 53 H GLN 53 -3.747 -7.425 -3.478 356 HA GLN 53 HA GLN 53 -2.742 -8.016 -6.072 357 HB2 GLN 53 1HB GLN 53 -2.868 -5.413 -4.542 358 HB3 GLN 53 2HB GLN 53 -2.422 -5.549 -6.238 359 HG2 GLN 53 1HG GLN 53 -4.674 -6.647 -6.598 360 HG3 GLN 53 2HG GLN 53 -5.080 -6.114 -4.967 361 HE21 GLN 53 1HE2 GLN 53 -6.199 -4.316 -4.930 362 HE22 GLN 53 2HE2 GLN 53 -6.074 -3.006 -6.049 363 H GLU 54 H GLU 54 -0.687 -7.312 -6.949 364 HA GLU 54 HA GLU 54 1.478 -7.024 -5.001 365 HB2 GLU 54 1HB GLU 54 1.051 -9.478 -5.817 366 HB3 GLU 54 2HB GLU 54 1.847 -8.927 -7.284 367 HG2 GLU 54 1HG GLU 54 3.736 -8.144 -5.768 368 HG3 GLU 54 2HG GLU 54 2.968 -9.111 -4.511 369 H VAL 55 H VAL 55 2.779 -5.417 -5.566 370 HA VAL 55 HA VAL 55 2.864 -4.613 -8.401 371 HB VAL 55 HB VAL 55 3.224 -2.904 -5.936 372 HG11 VAL 55 1HG1 VAL 55 4.481 -1.610 -7.251 373 HG12 VAL 55 2HG1 VAL 55 4.038 -2.511 -8.702 374 HG13 VAL 55 3HG1 VAL 55 2.988 -1.224 -8.107 375 HG21 VAL 55 1HG2 VAL 55 1.167 -1.869 -6.515 376 HG22 VAL 55 2HG2 VAL 55 1.102 -2.709 -8.065 377 HG23 VAL 55 3HG2 VAL 55 0.887 -3.610 -6.564 378 H ASP 56 H ASP 56 4.750 -4.803 -9.405 379 HA ASP 56 HA ASP 56 7.201 -4.936 -7.773 380 HB2 ASP 56 1HB ASP 56 8.132 -6.500 -9.381 381 HB3 ASP 56 2HB ASP 56 6.593 -7.116 -8.787 382 H GLY 57 H GLY 57 8.984 -3.803 -8.453 383 HA2 GLY 57 1HA GLY 57 10.190 -2.698 -10.277 384 HA3 GLY 57 2HA GLY 57 8.631 -2.152 -10.878 385 H VAL 58 H VAL 58 9.779 -2.123 -7.534 386 HA VAL 58 HA VAL 58 9.569 0.818 -7.587 387 HB VAL 58 HB VAL 58 9.183 -0.960 -5.178 388 HG11 VAL 58 1HG1 VAL 58 9.768 1.722 -5.315 389 HG12 VAL 58 2HG1 VAL 58 8.009 1.707 -5.172 390 HG13 VAL 58 3HG1 VAL 58 9.001 0.902 -3.956 391 HG21 VAL 58 1HG2 VAL 58 7.460 -0.824 -7.283 392 HG22 VAL 58 2HG2 VAL 58 6.991 -1.174 -5.620 393 HG23 VAL 58 3HG2 VAL 58 6.857 0.469 -6.246 394 H ALA 59 H ALA 59 11.678 1.367 -7.951 395 HA ALA 59 HA ALA 59 13.762 0.194 -6.272 396 HB1 ALA 59 1HB ALA 59 15.136 1.882 -7.811 397 HB2 ALA 59 2HB ALA 59 14.666 0.270 -8.351 398 HB3 ALA 59 3HB ALA 59 13.716 1.674 -8.835 399 H THR 60 H THR 60 11.797 1.920 -5.061 400 HA THR 60 HA THR 60 13.616 3.961 -4.006 401 HB THR 60 HB THR 60 11.565 5.512 -3.861 402 HG1 THR 60 1HG THR 60 10.212 3.642 -4.712 403 HG21 THR 60 1HG2 THR 60 13.546 5.844 -5.342 404 HG22 THR 60 2HG2 THR 60 12.046 6.491 -6.006 405 HG23 THR 60 3HG2 THR 60 12.691 4.964 -6.607 406 H THR 61 H THR 61 12.771 4.913 -1.943 407 HA THR 61 HA THR 61 11.809 2.764 -0.255 408 HB THR 61 HB THR 61 12.171 4.472 1.594 409 HG1 THR 61 1HG THR 61 13.651 6.212 0.799 410 HG21 THR 61 1HG2 THR 61 14.766 4.301 0.218 411 HG22 THR 61 2HG2 THR 61 13.903 2.770 0.373 412 HG23 THR 61 3HG2 THR 61 14.286 3.717 1.811 413 H ARG 62 H ARG 62 10.522 5.504 -1.841 414 HA ARG 62 HA ARG 62 8.081 5.346 -0.196 415 HB2 ARG 62 1HB ARG 62 8.992 7.533 0.048 416 HB3 ARG 62 2HB ARG 62 9.296 7.673 -1.678 417 HG2 ARG 62 1HG ARG 62 6.965 7.857 -2.149 418 HG3 ARG 62 2HG ARG 62 6.545 7.468 -0.479 419 HD2 ARG 62 1HD ARG 62 6.363 9.874 -0.952 420 HD3 ARG 62 2HD ARG 62 7.565 9.525 0.290 421 HE ARG 62 HE ARG 62 8.905 9.613 -2.139 422 HH11 ARG 62 2HH1 ARG 62 7.071 11.767 -0.110 423 HH12 ARG 62 1HH1 ARG 62 7.925 13.185 -0.621 424 HH21 ARG 62 2HH2 ARG 62 10.036 11.472 -2.820 425 HH22 ARG 62 1HH2 ARG 62 9.611 13.017 -2.163 426 H TYR 63 H TYR 63 6.247 4.751 -1.170 427 HA TYR 63 HA TYR 63 5.996 4.997 -4.071 428 HB2 TYR 63 1HB TYR 63 6.899 2.745 -3.697 429 HB3 TYR 63 2HB TYR 63 5.585 2.395 -2.580 430 HD1 TYR 63 2HD TYR 63 3.307 2.044 -3.411 431 HD2 TYR 63 1HD TYR 63 6.545 2.734 -6.083 432 HE1 TYR 63 2HE TYR 63 1.933 1.224 -5.279 433 HE2 TYR 63 1HE TYR 63 5.180 1.918 -7.959 434 HH TYR 63 HH TYR 63 1.864 1.524 -7.782 435 H SER 64 H SER 64 3.810 4.811 -4.835 436 HA SER 64 HA SER 64 1.787 5.171 -2.724 437 HB2 SER 64 1HB SER 64 2.060 7.346 -3.589 438 HB3 SER 64 2HB SER 64 2.229 6.761 -5.244 439 HG SER 64 HG SER 64 0.092 6.502 -5.393 440 H ILE 65 H ILE 65 -0.231 4.286 -3.079 441 HA ILE 65 HA ILE 65 -0.374 2.381 -5.314 442 HB ILE 65 HB ILE 65 -1.950 2.360 -2.738 443 HG12 ILE 65 1HG1 ILE 65 -0.436 0.179 -2.537 444 HG13 ILE 65 2HG1 ILE 65 0.646 1.133 -3.545 445 HG21 ILE 65 1HG2 ILE 65 -3.291 0.989 -3.873 446 HG22 ILE 65 2HG2 ILE 65 -2.171 0.893 -5.230 447 HG23 ILE 65 3HG2 ILE 65 -1.966 -0.173 -3.841 448 HD11 ILE 65 1HD1 ILE 65 1.191 1.388 -1.201 449 HD12 ILE 65 2HD1 ILE 65 0.618 2.915 -1.874 450 HD13 ILE 65 3HD1 ILE 65 -0.449 1.941 -0.862 451 H GLY 66 H GLY 66 -2.156 2.292 -6.646 452 HA2 GLY 66 1HA GLY 66 -4.236 4.338 -6.219 453 HA3 GLY 66 2HA GLY 66 -3.431 4.199 -7.775 454 H GLY 67 H GLY 67 -6.153 4.013 -7.650 455 HA2 GLY 67 1HA GLY 67 -7.657 2.635 -8.805 456 HA3 GLY 67 2HA GLY 67 -6.546 1.290 -8.603 457 H LEU 68 H LEU 68 -7.521 3.306 -5.925 458 HA LEU 68 HA LEU 68 -8.943 0.995 -4.792 459 HB2 LEU 68 1HB LEU 68 -7.861 3.385 -3.316 460 HB3 LEU 68 2HB LEU 68 -8.456 1.877 -2.624 461 HG LEU 68 HG LEU 68 -5.971 2.112 -4.317 462 HD11 LEU 68 1HD1 LEU 68 -5.169 1.449 -1.791 463 HD12 LEU 68 2HD1 LEU 68 -6.447 2.623 -1.482 464 HD13 LEU 68 3HD1 LEU 68 -5.077 3.061 -2.502 465 HD21 LEU 68 1HD2 LEU 68 -7.516 -0.101 -3.690 466 HD22 LEU 68 2HD2 LEU 68 -6.200 -0.145 -2.516 467 HD23 LEU 68 3HD2 LEU 68 -5.841 -0.109 -4.243 468 H SER 69 H SER 69 -10.615 1.781 -3.053 469 HA SER 69 HA SER 69 -12.414 3.630 -4.449 470 HB2 SER 69 1HB SER 69 -13.497 1.557 -4.105 471 HB3 SER 69 2HB SER 69 -12.887 1.417 -2.457 472 HG SER 69 HG SER 69 -14.673 2.335 -1.876 473 HA PRO 70 HA PRO 70 -11.953 6.738 -1.374 474 HB2 PRO 70 1HB PRO 70 -14.356 7.978 -1.617 475 HB3 PRO 70 2HB PRO 70 -13.070 8.131 -2.821 476 HG2 PRO 70 1HG PRO 70 -15.493 6.373 -2.849 477 HG3 PRO 70 2HG PRO 70 -14.792 7.332 -4.165 478 HD2 PRO 70 1HD PRO 70 -14.391 4.664 -3.934 479 HD3 PRO 70 2HD PRO 70 -13.171 5.757 -4.618 480 H PHE 71 H PHE 71 -12.166 6.749 0.775 481 HA PHE 71 HA PHE 71 -13.004 6.441 2.872 482 HB2 PHE 71 1HB PHE 71 -15.142 7.332 1.645 483 HB3 PHE 71 2HB PHE 71 -15.685 5.664 1.784 484 HD1 PHE 71 2HD PHE 71 -13.889 8.017 4.059 485 HD2 PHE 71 1HD PHE 71 -17.203 5.411 3.477 486 HE1 PHE 71 2HE PHE 71 -14.635 8.458 6.362 487 HE2 PHE 71 1HE PHE 71 -17.955 5.848 5.779 488 HZ PHE 71 HZ PHE 71 -16.670 7.372 7.225 489 H SER 72 H SER 72 -11.627 4.383 1.732 490 HA SER 72 HA SER 72 -13.005 2.035 2.847 491 HB2 SER 72 1HB SER 72 -12.087 0.629 1.077 492 HB3 SER 72 2HB SER 72 -13.047 1.929 0.370 493 HG SER 72 HG SER 72 -10.946 3.058 0.180 494 H GLU 73 H GLU 73 -11.556 0.329 3.575 495 HA GLU 73 HA GLU 73 -8.976 1.425 4.476 496 HB2 GLU 73 1HB GLU 73 -10.907 0.660 6.109 497 HB3 GLU 73 2HB GLU 73 -10.245 -0.938 5.792 498 HG2 GLU 73 1HG GLU 73 -8.140 -0.347 6.693 499 HG3 GLU 73 2HG GLU 73 -8.563 1.364 6.737 500 H TYR 74 H TYR 74 -7.122 0.351 4.059 501 HA TYR 74 HA TYR 74 -7.258 -2.362 2.972 502 HB2 TYR 74 1HB TYR 74 -6.158 0.052 1.566 503 HB3 TYR 74 2HB TYR 74 -5.495 -1.545 1.240 504 HD1 TYR 74 1HD TYR 74 -8.663 0.399 1.215 505 HD2 TYR 74 2HD TYR 74 -6.562 -2.992 -0.263 506 HE1 TYR 74 1HE TYR 74 -10.480 -0.020 -0.389 507 HE2 TYR 74 2HE TYR 74 -8.372 -3.420 -1.872 508 HH TYR 74 HH TYR 74 -10.191 -2.005 -3.016 509 H ALA 75 H ALA 75 -5.307 -3.544 3.134 510 HA ALA 75 HA ALA 75 -3.486 -2.479 5.175 511 HB1 ALA 75 1HB ALA 75 -3.256 -4.571 6.002 512 HB2 ALA 75 2HB ALA 75 -4.816 -4.802 5.212 513 HB3 ALA 75 3HB ALA 75 -3.336 -5.328 4.411 514 H PHE 76 H PHE 76 -1.723 -1.559 4.355 515 HA PHE 76 HA PHE 76 -0.578 -2.580 1.866 516 HB2 PHE 76 1HB PHE 76 0.094 -0.089 3.447 517 HB3 PHE 76 2HB PHE 76 0.774 -0.522 1.883 518 HD1 PHE 76 1HD PHE 76 -0.608 -0.448 -0.136 519 HD2 PHE 76 2HD PHE 76 -2.103 0.825 3.640 520 HE1 PHE 76 1HE PHE 76 -2.461 0.711 -1.265 521 HE2 PHE 76 2HE PHE 76 -3.959 1.985 2.517 522 HZ PHE 76 HZ PHE 76 -4.141 1.929 0.062 523 H ARG 77 H ARG 77 1.515 -3.331 1.688 524 HA ARG 77 HA ARG 77 3.253 -3.403 3.997 525 HB2 ARG 77 1HB ARG 77 3.473 -5.893 3.920 526 HB3 ARG 77 2HB ARG 77 1.915 -5.327 4.508 527 HG2 ARG 77 1HG ARG 77 0.824 -5.924 2.517 528 HG3 ARG 77 2HG ARG 77 2.347 -6.109 1.644 529 HD2 ARG 77 1HD ARG 77 2.762 -8.168 2.527 530 HD3 ARG 77 2HD ARG 77 1.927 -7.807 4.038 531 HE ARG 77 HE ARG 77 0.765 -8.880 1.613 532 HH11 ARG 77 2HH1 ARG 77 0.210 -7.380 4.705 533 HH12 ARG 77 1HH1 ARG 77 -1.430 -7.927 4.822 534 HH21 ARG 77 2HH2 ARG 77 -1.393 -9.606 1.756 535 HH22 ARG 77 1HH2 ARG 77 -2.340 -9.194 3.145 536 H VAL 78 H VAL 78 5.322 -3.310 3.376 537 HA VAL 78 HA VAL 78 5.917 -3.773 0.533 538 HB VAL 78 HB VAL 78 7.579 -2.212 2.510 539 HG11 VAL 78 1HG1 VAL 78 7.890 -3.002 -0.278 540 HG12 VAL 78 2HG1 VAL 78 8.080 -1.266 -0.020 541 HG13 VAL 78 3HG1 VAL 78 9.087 -2.407 0.872 542 HG21 VAL 78 1HG2 VAL 78 6.499 -0.267 1.969 543 HG22 VAL 78 2HG2 VAL 78 5.949 -0.876 0.408 544 HG23 VAL 78 3HG2 VAL 78 5.149 -1.399 1.890 545 H LEU 79 H LEU 79 7.797 -4.898 -0.077 546 HA LEU 79 HA LEU 79 9.277 -6.309 2.004 547 HB2 LEU 79 1HB LEU 79 9.001 -8.454 0.727 548 HB3 LEU 79 2HB LEU 79 7.574 -7.886 1.591 549 HG LEU 79 HG LEU 79 6.905 -6.882 -0.716 550 HD11 LEU 79 1HD1 LEU 79 8.028 -9.060 -2.156 551 HD12 LEU 79 2HD1 LEU 79 9.337 -8.166 -1.385 552 HD13 LEU 79 3HD1 LEU 79 8.207 -7.330 -2.450 553 HD21 LEU 79 1HD2 LEU 79 5.452 -8.603 -0.903 554 HD22 LEU 79 2HD2 LEU 79 6.122 -9.044 0.668 555 HD23 LEU 79 3HD2 LEU 79 6.717 -9.828 -0.796 556 H ALA 80 H ALA 80 11.366 -6.742 1.468 557 HA ALA 80 HA ALA 80 12.408 -5.460 -0.887 558 HB1 ALA 80 1HB ALA 80 14.077 -7.157 0.917 559 HB2 ALA 80 2HB ALA 80 14.494 -5.664 0.075 560 HB3 ALA 80 3HB ALA 80 13.449 -5.613 1.494 561 H VAL 81 H VAL 81 13.386 -6.404 -2.647 562 HA VAL 81 HA VAL 81 13.415 -9.328 -2.816 563 HB VAL 81 HB VAL 81 12.268 -7.648 -5.042 564 HG11 VAL 81 1HG1 VAL 81 13.289 -10.162 -5.114 565 HG12 VAL 81 2HG1 VAL 81 11.588 -10.492 -4.780 566 HG13 VAL 81 3HG1 VAL 81 12.043 -9.558 -6.205 567 HG21 VAL 81 1HG2 VAL 81 10.514 -7.373 -3.648 568 HG22 VAL 81 2HG2 VAL 81 10.140 -9.029 -4.129 569 HG23 VAL 81 3HG2 VAL 81 10.987 -8.721 -2.613 570 H ASN 82 H ASN 82 15.109 -10.140 -3.931 571 HA ASN 82 HA ASN 82 16.597 -8.482 -5.788 572 HB2 ASN 82 1HB ASN 82 18.619 -8.395 -4.635 573 HB3 ASN 82 2HB ASN 82 17.445 -8.116 -3.353 574 HD21 ASN 82 1HD2 ASN 82 17.122 -9.670 -1.794 575 HD22 ASN 82 2HD2 ASN 82 18.173 -11.026 -1.595 576 H SER 83 H SER 83 18.779 -9.902 -6.270 577 HA SER 83 HA SER 83 18.177 -11.903 -7.928 578 HB2 SER 83 1HB SER 83 20.549 -11.872 -6.048 579 HB3 SER 83 2HB SER 83 20.416 -12.902 -7.473 580 HG SER 83 HG SER 83 21.410 -11.197 -8.298 581 H ILE 84 H ILE 84 18.521 -12.276 -4.430 582 HA ILE 84 HA ILE 84 18.220 -15.071 -4.331 583 HB ILE 84 HB ILE 84 17.390 -13.092 -2.207 584 HG12 ILE 84 1HG1 ILE 84 19.769 -12.867 -3.096 585 HG13 ILE 84 2HG1 ILE 84 19.607 -13.143 -1.365 586 HG21 ILE 84 1HG2 ILE 84 16.688 -14.946 -1.182 587 HG22 ILE 84 2HG2 ILE 84 17.488 -15.995 -2.351 588 HG23 ILE 84 3HG2 ILE 84 18.395 -15.344 -0.986 589 HD11 ILE 84 1HD1 ILE 84 21.378 -14.450 -2.735 590 HD12 ILE 84 2HD1 ILE 84 20.436 -15.282 -1.497 591 HD13 ILE 84 3HD1 ILE 84 20.008 -15.459 -3.198 592 H GLY 85 H GLY 85 15.803 -12.541 -3.597 593 HA2 GLY 85 1HA GLY 85 13.692 -13.330 -5.065 594 HA3 GLY 85 2HA GLY 85 13.662 -14.490 -3.745 595 H ARG 86 H ARG 86 11.462 -13.248 -3.732 596 HA ARG 86 HA ARG 86 11.541 -10.683 -2.413 597 HB2 ARG 86 1HB ARG 86 9.122 -10.786 -2.469 598 HB3 ARG 86 2HB ARG 86 9.763 -11.263 -4.035 599 HG2 ARG 86 1HG ARG 86 9.555 -13.677 -3.050 600 HG3 ARG 86 2HG ARG 86 8.396 -12.907 -1.965 601 HD2 ARG 86 1HD ARG 86 7.088 -12.134 -3.835 602 HD3 ARG 86 2HD ARG 86 8.294 -12.733 -4.972 603 HE ARG 86 HE ARG 86 7.333 -14.791 -4.810 604 HH11 ARG 86 2HH1 ARG 86 6.456 -12.937 -1.997 605 HH12 ARG 86 1HH1 ARG 86 5.387 -14.147 -1.371 606 HH21 ARG 86 2HH2 ARG 86 5.928 -16.393 -3.996 607 HH22 ARG 86 1HH2 ARG 86 5.088 -16.114 -2.508 608 H GLY 87 H GLY 87 11.960 -10.497 -0.317 609 HA2 GLY 87 1HA GLY 87 11.788 -12.714 1.485 610 HA3 GLY 87 2HA GLY 87 12.202 -11.059 1.907 611 HA PRO 88 HA PRO 88 7.987 -12.136 3.617 612 HB2 PRO 88 1HB PRO 88 8.567 -11.487 6.188 613 HB3 PRO 88 2HB PRO 88 8.848 -13.098 5.518 614 HG2 PRO 88 1HG PRO 88 10.786 -10.855 5.933 615 HG3 PRO 88 2HG PRO 88 10.993 -12.587 6.255 616 HD2 PRO 88 1HD PRO 88 11.994 -11.387 4.044 617 HD3 PRO 88 2HD PRO 88 11.438 -13.073 4.047 618 HA PRO 89 HA PRO 89 6.751 -7.903 3.436 619 HB2 PRO 89 1HB PRO 89 4.305 -8.126 4.592 620 HB3 PRO 89 2HB PRO 89 4.649 -8.694 2.954 621 HG2 PRO 89 1HG PRO 89 4.506 -10.250 5.508 622 HG3 PRO 89 2HG PRO 89 3.860 -10.662 3.909 623 HD2 PRO 89 1HD PRO 89 6.172 -11.703 4.859 624 HD3 PRO 89 2HD PRO 89 5.904 -11.390 3.132 625 H SER 90 H SER 90 6.386 -6.070 4.752 626 HA SER 90 HA SER 90 7.465 -6.339 7.430 627 HB2 SER 90 1HB SER 90 8.341 -4.530 6.103 628 HB3 SER 90 2HB SER 90 6.719 -3.923 5.768 629 HG SER 90 HG SER 90 7.124 -2.716 7.450 630 H GLU 91 H GLU 91 6.425 -4.850 9.143 631 HA GLU 91 HA GLU 91 4.067 -5.879 10.020 632 HB2 GLU 91 1HB GLU 91 5.351 -3.207 10.469 633 HB3 GLU 91 2HB GLU 91 3.786 -3.560 11.187 634 HG2 GLU 91 1HG GLU 91 4.759 -5.520 12.301 635 HG3 GLU 91 2HG GLU 91 6.330 -5.108 11.618 636 H ALA 92 H ALA 92 2.361 -6.124 8.678 637 HA ALA 92 HA ALA 92 1.468 -4.493 6.665 638 HB1 ALA 92 1HB ALA 92 0.508 -6.643 6.897 639 HB2 ALA 92 2HB ALA 92 -0.086 -6.281 8.518 640 HB3 ALA 92 3HB ALA 92 -0.805 -5.487 7.117 641 H VAL 93 H VAL 93 0.600 -2.529 6.543 642 HA VAL 93 HA VAL 93 -0.416 -1.299 9.020 643 HB VAL 93 HB VAL 93 0.074 0.882 7.953 644 HG11 VAL 93 1HG1 VAL 93 1.827 -0.883 9.158 645 HG12 VAL 93 2HG1 VAL 93 2.712 -0.309 7.743 646 HG13 VAL 93 3HG1 VAL 93 2.083 0.845 8.919 647 HG21 VAL 93 1HG2 VAL 93 -0.043 -0.129 5.604 648 HG22 VAL 93 2HG2 VAL 93 1.196 1.089 5.907 649 HG23 VAL 93 3HG2 VAL 93 1.630 -0.620 5.871 650 H ARG 94 H ARG 94 -2.366 -0.229 9.017 651 HA ARG 94 HA ARG 94 -4.048 -0.679 6.644 652 HB2 ARG 94 1HB ARG 94 -4.587 -0.745 9.574 653 HB3 ARG 94 2HB ARG 94 -5.881 -0.207 8.513 654 HG2 ARG 94 1HG ARG 94 -5.514 -2.345 7.208 655 HG3 ARG 94 2HG ARG 94 -4.504 -2.872 8.555 656 HD2 ARG 94 1HD ARG 94 -7.299 -1.880 8.996 657 HD3 ARG 94 2HD ARG 94 -6.985 -3.555 8.541 658 HE ARG 94 HE ARG 94 -6.562 -2.361 11.102 659 HH11 ARG 94 2HH1 ARG 94 -5.439 -4.836 8.926 660 HH12 ARG 94 1HH1 ARG 94 -4.797 -5.836 10.187 661 HH21 ARG 94 2HH2 ARG 94 -5.721 -3.669 12.771 662 HH22 ARG 94 1HH2 ARG 94 -4.959 -5.172 12.374 663 H ALA 95 H ALA 95 -4.571 1.051 5.499 664 HA ALA 95 HA ALA 95 -4.793 3.647 6.874 665 HB1 ALA 95 1HB ALA 95 -3.809 4.749 4.938 666 HB2 ALA 95 2HB ALA 95 -2.694 3.563 5.619 667 HB3 ALA 95 3HB ALA 95 -3.590 3.188 4.146 668 H ARG 96 H ARG 96 -6.704 4.591 6.614 669 HA ARG 96 HA ARG 96 -8.584 3.496 4.687 670 HB2 ARG 96 1HB ARG 96 -9.000 4.194 7.202 671 HB3 ARG 96 2HB ARG 96 -9.262 5.780 6.488 672 HG2 ARG 96 1HG ARG 96 -11.042 4.921 5.114 673 HG3 ARG 96 2HG ARG 96 -10.725 3.278 5.676 674 HD2 ARG 96 1HD ARG 96 -11.661 5.597 7.364 675 HD3 ARG 96 2HD ARG 96 -12.644 4.234 6.829 676 HE ARG 96 HE ARG 96 -11.659 2.912 8.443 677 HH11 ARG 96 2HH1 ARG 96 -10.015 5.973 8.227 678 HH12 ARG 96 1HH1 ARG 96 -9.105 5.735 9.682 679 HH21 ARG 96 2HH2 ARG 96 -10.467 2.587 10.361 680 HH22 ARG 96 1HH2 ARG 96 -9.363 3.809 10.895 681 H THR 97 H THR 97 -8.678 4.299 2.705 682 HA THR 97 HA THR 97 -7.454 6.697 1.889 683 HB THR 97 HB THR 97 -8.510 6.358 -0.263 684 HG1 THR 97 1HG THR 97 -10.264 5.105 -0.521 685 HG21 THR 97 1HG2 THR 97 -8.118 3.664 -0.264 686 HG22 THR 97 2HG2 THR 97 -7.236 4.143 1.186 687 HG23 THR 97 3HG2 THR 97 -6.829 4.862 -0.372 688 H GLY 98 H GLY 98 -8.478 8.596 0.961 689 HA2 GLY 98 1HA GLY 98 -10.435 9.705 2.704 690 HA3 GLY 98 2HA GLY 98 -9.794 10.460 1.253 691 H GLU 99 H GLU 99 -12.404 10.845 1.846 692 HA GLU 99 HA GLU 99 -13.959 8.924 0.291 693 HB2 GLU 99 1HB GLU 99 -15.919 10.136 1.105 694 HB3 GLU 99 2HB GLU 99 -14.874 9.667 2.439 695 HG2 GLU 99 1HG GLU 99 -15.355 11.807 3.037 696 HG3 GLU 99 2HG GLU 99 -13.889 12.073 2.096 697 H GLN 100 H GLN 100 -15.332 9.598 -1.441 698 HA GLN 100 HA GLN 100 -14.633 12.164 -2.680 699 HB2 GLN 100 1HB GLN 100 -13.418 9.990 -3.586 700 HB3 GLN 100 2HB GLN 100 -14.939 9.776 -4.442 701 HG2 GLN 100 1HG GLN 100 -13.733 10.944 -5.988 702 HG3 GLN 100 2HG GLN 100 -14.556 12.258 -5.149 703 HE21 GLN 100 1HE2 GLN 100 -11.929 11.974 -6.631 704 HE22 GLN 100 2HE2 GLN 100 -10.767 12.670 -5.558 705 H SER 101 H SER 101 -16.167 12.855 -4.336 706 HA SER 101 HA SER 101 -18.873 12.246 -3.526 707 HB2 SER 101 1HB SER 101 -18.195 14.576 -3.955 708 HB3 SER 101 2HB SER 101 -17.851 14.165 -5.635 709 HG SER 101 HG SER 101 -20.342 14.263 -4.311 710 H GLY 102 H GLY 102 -18.453 9.947 -4.351 711 HA2 GLY 102 1HA GLY 102 -18.966 8.295 -5.860 712 HA3 GLY 102 2HA GLY 102 -20.040 9.474 -6.598 713 HA PRO 103 HA PRO 103 -15.693 9.596 -8.799 714 HB2 PRO 103 1HB PRO 103 -14.362 7.232 -8.690 715 HB3 PRO 103 2HB PRO 103 -14.117 8.527 -7.513 716 HG2 PRO 103 1HG PRO 103 -15.789 6.054 -7.287 717 HG3 PRO 103 2HG PRO 103 -14.712 6.790 -6.086 718 HD2 PRO 103 1HD PRO 103 -17.400 7.111 -6.023 719 HD3 PRO 103 2HD PRO 103 -16.275 8.366 -5.465 720 H SER 104 H SER 104 -16.575 9.599 -10.785 721 HA SER 104 HA SER 104 -16.810 7.103 -12.213 722 HB2 SER 104 1HB SER 104 -19.160 7.591 -12.965 723 HB3 SER 104 2HB SER 104 -19.023 7.145 -11.265 724 HG SER 104 HG SER 104 -19.835 9.504 -12.403 725 H SER 105 H SER 105 -16.448 7.348 -14.361 726 HA SER 105 HA SER 105 -16.461 10.074 -15.460 727 HB2 SER 105 1HB SER 105 -14.242 8.046 -15.831 728 HB3 SER 105 2HB SER 105 -14.328 9.629 -16.605 729 HG SER 105 HG SER 105 -13.569 8.958 -14.058 730 H GLY 106 H GLY 106 -16.887 10.242 -17.671 731 HA2 GLY 106 1HA GLY 106 -18.270 7.919 -18.778 732 HA3 GLY 106 2HA GLY 106 -18.374 9.570 -19.369 Start of MODEL 14 1 H1 GLY 1 H GLY 1 11.035 -21.868 18.442 2 HA2 GLY 1 1HA GLY 1 9.385 -20.779 16.328 3 HA3 GLY 1 2HA GLY 1 10.733 -19.977 17.121 4 H SER 2 H SER 2 10.580 -19.603 14.502 5 HA SER 2 HA SER 2 12.403 -21.544 13.260 6 HB2 SER 2 1HB SER 2 10.627 -19.435 12.010 7 HB3 SER 2 2HB SER 2 11.722 -20.485 11.109 8 HG SER 2 HG SER 2 9.255 -21.004 11.799 9 H SER 3 H SER 3 14.373 -20.948 12.483 10 HA SER 3 HA SER 3 15.145 -18.123 12.685 11 HB2 SER 3 1HB SER 3 15.865 -19.403 14.739 12 HB3 SER 3 2HB SER 3 16.893 -20.377 13.690 13 HG SER 3 HG SER 3 17.601 -18.068 13.011 14 H GLY 4 H GLY 4 16.552 -17.415 11.138 15 HA2 GLY 4 1HA GLY 4 18.457 -18.329 9.654 16 HA3 GLY 4 2HA GLY 4 17.180 -19.356 9.018 17 H SER 5 H SER 5 18.753 -16.376 8.766 18 HA SER 5 HA SER 5 16.593 -14.975 7.458 19 HB2 SER 5 1HB SER 5 19.414 -14.354 8.193 20 HB3 SER 5 2HB SER 5 18.690 -13.432 6.876 21 HG SER 5 HG SER 5 17.639 -13.711 9.500 22 H SER 6 H SER 6 16.061 -16.304 5.708 23 HA SER 6 HA SER 6 18.110 -16.886 3.723 24 HB2 SER 6 1HB SER 6 16.145 -18.448 4.493 25 HB3 SER 6 2HB SER 6 15.203 -17.512 3.333 26 HG SER 6 HG SER 6 17.223 -18.057 1.949 27 H GLY 7 H GLY 7 18.599 -14.820 2.939 28 HA2 GLY 7 1HA GLY 7 18.190 -13.617 0.857 29 HA3 GLY 7 2HA GLY 7 16.476 -13.660 1.245 30 HA PRO 8 HA PRO 8 18.084 -9.504 2.475 31 HB2 PRO 8 1HB PRO 8 15.967 -8.137 1.465 32 HB3 PRO 8 2HB PRO 8 17.374 -8.586 0.492 33 HG2 PRO 8 1HG PRO 8 14.699 -9.917 0.682 34 HG3 PRO 8 2HG PRO 8 15.683 -9.584 -0.754 35 HD2 PRO 8 1HD PRO 8 15.593 -12.024 0.415 36 HD3 PRO 8 2HD PRO 8 17.045 -11.409 -0.400 37 H LYS 9 H LYS 9 16.732 -7.728 3.635 38 HA LYS 9 HA LYS 9 14.971 -9.082 5.567 39 HB2 LYS 9 1HB LYS 9 16.793 -6.696 5.874 40 HB3 LYS 9 2HB LYS 9 15.598 -7.150 7.081 41 HG2 LYS 9 1HG LYS 9 17.676 -9.090 6.135 42 HG3 LYS 9 2HG LYS 9 18.008 -7.926 7.420 43 HD2 LYS 9 1HD LYS 9 15.600 -9.711 7.536 44 HD3 LYS 9 2HD LYS 9 17.183 -10.285 8.067 45 HE2 LYS 9 1HE LYS 9 17.193 -8.058 9.440 46 HE3 LYS 9 2HE LYS 9 15.446 -8.148 9.223 47 HZ1 LYS 9 1HZ LYS 9 15.423 -9.512 10.953 48 HZ2 LYS 9 2HZ LYS 9 17.110 -9.620 10.992 49 HZ3 LYS 9 3HZ LYS 9 16.218 -10.668 10.008 50 HA PRO 10 HA PRO 10 11.577 -6.538 4.437 51 HB2 PRO 10 1HB PRO 10 10.314 -6.254 6.824 52 HB3 PRO 10 2HB PRO 10 10.317 -7.769 5.912 53 HG2 PRO 10 1HG PRO 10 12.013 -6.957 8.241 54 HG3 PRO 10 2HG PRO 10 11.211 -8.507 7.928 55 HD2 PRO 10 1HD PRO 10 13.849 -8.111 7.463 56 HD3 PRO 10 2HD PRO 10 12.861 -9.211 6.481 57 HA PRO 11 HA PRO 11 12.679 -2.330 5.178 58 HB2 PRO 11 1HB PRO 11 10.362 -1.141 4.412 59 HB3 PRO 11 2HB PRO 11 11.508 -1.843 3.263 60 HG2 PRO 11 1HG PRO 11 8.975 -3.003 4.361 61 HG3 PRO 11 2HG PRO 11 9.588 -3.028 2.697 62 HD2 PRO 11 1HD PRO 11 9.817 -5.148 4.366 63 HD3 PRO 11 2HD PRO 11 11.026 -4.779 3.120 64 H ILE 12 H ILE 12 12.207 -0.536 6.541 65 HA ILE 12 HA ILE 12 10.287 -1.124 8.699 66 HB ILE 12 HB ILE 12 11.783 -0.038 10.288 67 HG12 ILE 12 1HG1 ILE 12 13.853 0.055 8.092 68 HG13 ILE 12 2HG1 ILE 12 12.859 1.442 8.526 69 HG21 ILE 12 1HG2 ILE 12 13.698 -1.725 10.139 70 HG22 ILE 12 2HG2 ILE 12 12.056 -2.360 10.241 71 HG23 ILE 12 3HG2 ILE 12 12.891 -2.320 8.688 72 HD11 ILE 12 1HD1 ILE 12 14.595 1.922 9.859 73 HD12 ILE 12 2HD1 ILE 12 13.829 0.762 10.945 74 HD13 ILE 12 3HD1 ILE 12 15.159 0.252 9.906 75 H ASP 13 H ASP 13 10.129 1.076 10.090 76 HA ASP 13 HA ASP 13 9.150 3.129 10.174 77 HB2 ASP 13 1HB ASP 13 11.523 3.546 9.075 78 HB3 ASP 13 2HB ASP 13 10.546 3.973 7.673 79 H LEU 14 H LEU 14 7.799 1.056 8.699 80 HA LEU 14 HA LEU 14 6.681 2.138 6.310 81 HB2 LEU 14 1HB LEU 14 6.833 -0.318 7.085 82 HB3 LEU 14 2HB LEU 14 5.366 0.037 7.995 83 HG LEU 14 HG LEU 14 4.346 0.744 5.772 84 HD11 LEU 14 1HD1 LEU 14 5.695 0.833 4.014 85 HD12 LEU 14 2HD1 LEU 14 5.821 -0.924 4.086 86 HD13 LEU 14 3HD1 LEU 14 7.010 0.079 4.916 87 HD21 LEU 14 1HD2 LEU 14 4.183 -1.765 5.067 88 HD22 LEU 14 2HD2 LEU 14 3.490 -1.226 6.597 89 HD23 LEU 14 3HD2 LEU 14 5.055 -2.041 6.575 90 H VAL 15 H VAL 15 5.722 4.096 6.590 91 HA VAL 15 HA VAL 15 3.301 4.125 8.252 92 HB VAL 15 HB VAL 15 4.862 6.651 8.080 93 HG11 VAL 15 1HG1 VAL 15 2.612 6.516 9.105 94 HG12 VAL 15 2HG1 VAL 15 3.262 5.407 10.313 95 HG13 VAL 15 3HG1 VAL 15 3.854 7.066 10.229 96 HG21 VAL 15 1HG2 VAL 15 5.721 4.227 9.573 97 HG22 VAL 15 2HG2 VAL 15 6.691 5.492 8.818 98 HG23 VAL 15 3HG2 VAL 15 5.890 5.797 10.360 99 H VAL 16 H VAL 16 1.705 5.679 7.588 100 HA VAL 16 HA VAL 16 1.844 6.221 4.710 101 HB VAL 16 HB VAL 16 -0.561 6.268 6.538 102 HG11 VAL 16 1HG1 VAL 16 -0.944 7.701 4.670 103 HG12 VAL 16 2HG1 VAL 16 -0.281 6.511 3.548 104 HG13 VAL 16 3HG1 VAL 16 -1.811 6.195 4.368 105 HG21 VAL 16 1HG2 VAL 16 0.774 4.111 5.037 106 HG22 VAL 16 2HG2 VAL 16 -0.245 4.033 6.474 107 HG23 VAL 16 3HG2 VAL 16 -0.981 4.186 4.878 108 H THR 17 H THR 17 2.508 8.191 4.181 109 HA THR 17 HA THR 17 2.253 10.417 6.001 110 HB THR 17 HB THR 17 4.278 10.182 4.634 111 HG1 THR 17 1HG THR 17 3.936 12.277 5.160 112 HG21 THR 17 1HG2 THR 17 2.555 10.847 2.249 113 HG22 THR 17 2HG2 THR 17 3.087 9.212 2.641 114 HG23 THR 17 3HG2 THR 17 4.275 10.459 2.263 115 H GLU 18 H GLU 18 1.085 9.689 2.712 116 HA GLU 18 HA GLU 18 -1.083 11.634 3.163 117 HB2 GLU 18 1HB GLU 18 0.389 10.965 0.613 118 HB3 GLU 18 2HB GLU 18 -1.107 11.888 0.652 119 HG2 GLU 18 1HG GLU 18 0.039 13.527 2.148 120 HG3 GLU 18 2HG GLU 18 1.540 12.650 1.855 121 H THR 19 H THR 19 -3.144 11.116 2.360 122 HA THR 19 HA THR 19 -3.541 8.391 1.362 123 HB THR 19 HB THR 19 -5.658 8.475 2.986 124 HG1 THR 19 1HG THR 19 -4.586 9.284 5.069 125 HG21 THR 19 1HG2 THR 19 -3.440 6.956 2.823 126 HG22 THR 19 2HG2 THR 19 -4.655 6.764 4.087 127 HG23 THR 19 3HG2 THR 19 -3.188 7.689 4.407 128 H THR 20 H THR 20 -4.544 8.673 -0.516 129 HA THR 20 HA THR 20 -6.458 10.870 -0.817 130 HB THR 20 HB THR 20 -5.720 9.129 -3.121 131 HG1 THR 20 1HG THR 20 -3.732 9.618 -1.966 132 HG21 THR 20 1HG2 THR 20 -7.133 10.813 -3.805 133 HG22 THR 20 2HG2 THR 20 -5.566 11.575 -4.076 134 HG23 THR 20 3HG2 THR 20 -6.500 11.968 -2.633 135 H ALA 21 H ALA 21 -8.486 10.476 -1.939 136 HA ALA 21 HA ALA 21 -10.069 8.540 -0.793 137 HB1 ALA 21 1HB ALA 21 -10.323 10.358 -3.086 138 HB2 ALA 21 2HB ALA 21 -11.383 8.948 -3.127 139 HB3 ALA 21 3HB ALA 21 -11.433 10.048 -1.750 140 H THR 22 H THR 22 -8.561 8.432 -4.017 141 HA THR 22 HA THR 22 -8.998 5.516 -4.022 142 HB THR 22 HB THR 22 -9.153 5.529 -6.395 143 HG1 THR 22 1HG THR 22 -8.337 8.252 -6.211 144 HG21 THR 22 1HG2 THR 22 -10.686 7.930 -5.390 145 HG22 THR 22 2HG2 THR 22 -11.190 6.250 -5.207 146 HG23 THR 22 3HG2 THR 22 -11.071 6.965 -6.815 147 H SER 23 H SER 23 -6.732 7.064 -2.906 148 HA SER 23 HA SER 23 -4.623 5.477 -4.036 149 HB2 SER 23 1HB SER 23 -4.017 8.403 -4.085 150 HB3 SER 23 2HB SER 23 -3.310 7.095 -5.033 151 HG SER 23 HG SER 23 -4.861 8.645 -6.084 152 H VAL 24 H VAL 24 -2.550 5.811 -2.861 153 HA VAL 24 HA VAL 24 -2.696 7.217 -0.334 154 HB VAL 24 HB VAL 24 -2.387 4.212 -0.385 155 HG11 VAL 24 1HG1 VAL 24 -1.916 6.276 1.713 156 HG12 VAL 24 2HG1 VAL 24 -2.538 4.695 2.188 157 HG13 VAL 24 3HG1 VAL 24 -0.997 4.819 1.339 158 HG21 VAL 24 1HG2 VAL 24 -4.434 4.337 1.099 159 HG22 VAL 24 2HG2 VAL 24 -4.599 6.013 0.574 160 HG23 VAL 24 3HG2 VAL 24 -4.690 4.706 -0.606 161 H THR 25 H THR 25 -0.662 7.345 0.753 162 HA THR 25 HA THR 25 1.627 6.672 -0.980 163 HB THR 25 HB THR 25 1.446 8.996 0.947 164 HG1 THR 25 1HG THR 25 1.559 10.097 -1.267 165 HG21 THR 25 1HG2 THR 25 3.604 9.452 0.488 166 HG22 THR 25 2HG2 THR 25 3.440 9.001 -1.209 167 HG23 THR 25 3HG2 THR 25 3.688 7.756 0.015 168 H LEU 26 H LEU 26 3.092 5.337 -0.150 169 HA LEU 26 HA LEU 26 3.107 4.919 2.765 170 HB2 LEU 26 1HB LEU 26 2.456 3.035 1.104 171 HB3 LEU 26 2HB LEU 26 4.189 2.943 0.796 172 HG LEU 26 HG LEU 26 4.618 2.326 3.078 173 HD11 LEU 26 1HD1 LEU 26 1.706 2.934 3.475 174 HD12 LEU 26 2HD1 LEU 26 3.097 3.588 4.339 175 HD13 LEU 26 3HD1 LEU 26 2.612 1.911 4.589 176 HD21 LEU 26 1HD2 LEU 26 2.973 0.283 3.194 177 HD22 LEU 26 2HD2 LEU 26 4.206 0.382 1.937 178 HD23 LEU 26 3HD2 LEU 26 2.537 0.819 1.571 179 H THR 27 H THR 27 5.024 4.935 3.869 180 HA THR 27 HA THR 27 7.464 5.499 2.323 181 HB THR 27 HB THR 27 8.162 7.095 4.105 182 HG1 THR 27 1HG THR 27 5.544 6.520 5.019 183 HG21 THR 27 1HG2 THR 27 7.375 8.736 2.811 184 HG22 THR 27 2HG2 THR 27 5.713 8.411 3.304 185 HG23 THR 27 3HG2 THR 27 6.428 7.514 1.964 186 H TRP 28 H TRP 28 9.269 4.464 2.984 187 HA TRP 28 HA TRP 28 9.495 3.359 5.639 188 HB2 TRP 28 1HB TRP 28 9.689 1.040 4.979 189 HB3 TRP 28 2HB TRP 28 8.133 1.660 4.432 190 HD1 TRP 28 HD TRP 28 11.348 0.147 3.166 191 HE1 TRP 28 1HE TRP 28 11.187 -0.195 0.620 192 HE3 TRP 28 3HE TRP 28 7.042 2.752 2.266 193 HZ2 TRP 28 2HZ TRP 28 9.464 0.542 -1.491 194 HZ3 TRP 28 3HZ TRP 28 6.205 2.886 -0.044 195 HH2 TRP 28 HH TRP 28 7.393 1.804 -1.882 196 H ASP 29 H ASP 29 11.578 1.827 5.600 197 HA ASP 29 HA ASP 29 13.628 3.250 4.030 198 HB2 ASP 29 1HB ASP 29 13.574 3.681 6.551 199 HB3 ASP 29 2HB ASP 29 14.108 2.012 6.738 200 H SER 30 H SER 30 15.612 1.996 3.630 201 HA SER 30 HA SER 30 15.198 -0.330 2.268 202 HB2 SER 30 1HB SER 30 17.606 -0.731 2.403 203 HB3 SER 30 2HB SER 30 17.289 0.989 2.172 204 HG SER 30 HG SER 30 18.500 -0.293 4.249 205 H GLY 31 H GLY 31 16.322 -0.079 5.641 206 HA2 GLY 31 1HA GLY 31 15.837 -1.505 7.413 207 HA3 GLY 31 2HA GLY 31 14.959 -2.544 6.300 208 H ASN 32 H ASN 32 16.893 -3.129 4.432 209 HA ASN 32 HA ASN 32 18.563 -4.948 5.962 210 HB2 ASN 32 1HB ASN 32 19.204 -5.539 3.427 211 HB3 ASN 32 2HB ASN 32 17.752 -6.162 4.205 212 HD21 ASN 32 1HD2 ASN 32 15.821 -5.671 3.374 213 HD22 ASN 32 2HD2 ASN 32 15.559 -4.585 2.056 214 H SER 33 H SER 33 20.851 -5.236 5.396 215 HA SER 33 HA SER 33 22.288 -2.831 5.626 216 HB2 SER 33 1HB SER 33 24.302 -4.285 5.203 217 HB3 SER 33 2HB SER 33 23.245 -4.858 6.494 218 HG SER 33 HG SER 33 22.538 -6.472 5.220 219 H GLU 34 H GLU 34 22.462 -5.166 2.932 220 HA GLU 34 HA GLU 34 23.401 -3.049 1.172 221 HB2 GLU 34 1HB GLU 34 23.834 -4.824 -0.432 222 HB3 GLU 34 2HB GLU 34 24.516 -5.244 1.134 223 HG2 GLU 34 1HG GLU 34 21.785 -6.208 0.468 224 HG3 GLU 34 2HG GLU 34 23.171 -6.991 -0.288 225 HA PRO 35 HA PRO 35 19.508 -2.241 -0.704 226 HB2 PRO 35 1HB PRO 35 20.346 -1.379 -3.138 227 HB3 PRO 35 2HB PRO 35 20.515 -0.413 -1.667 228 HG2 PRO 35 1HG PRO 35 22.550 -2.107 -3.065 229 HG3 PRO 35 2HG PRO 35 22.734 -0.491 -2.357 230 HD2 PRO 35 1HD PRO 35 23.558 -2.739 -1.092 231 HD3 PRO 35 2HD PRO 35 22.955 -1.317 -0.216 232 H VAL 36 H VAL 36 18.066 -3.614 -1.519 233 HA VAL 36 HA VAL 36 18.917 -5.920 -3.035 234 HB VAL 36 HB VAL 36 16.466 -6.493 -3.015 235 HG11 VAL 36 1HG1 VAL 36 16.465 -7.198 -0.739 236 HG12 VAL 36 2HG1 VAL 36 18.137 -7.245 -1.303 237 HG13 VAL 36 3HG1 VAL 36 17.587 -5.918 -0.280 238 HG21 VAL 36 1HG2 VAL 36 15.866 -3.991 -2.732 239 HG22 VAL 36 2HG2 VAL 36 14.897 -5.202 -1.893 240 HG23 VAL 36 3HG2 VAL 36 16.126 -4.293 -1.014 241 H THR 37 H THR 37 17.220 -6.532 -4.875 242 HA THR 37 HA THR 37 17.747 -4.758 -7.018 243 HB THR 37 HB THR 37 15.777 -7.052 -6.937 244 HG1 THR 37 1HG THR 37 18.175 -7.380 -6.483 245 HG21 THR 37 1HG2 THR 37 16.155 -7.098 -9.388 246 HG22 THR 37 2HG2 THR 37 17.095 -5.613 -9.242 247 HG23 THR 37 3HG2 THR 37 15.378 -5.614 -8.840 248 H TYR 38 H TYR 38 14.702 -5.644 -5.392 249 HA TYR 38 HA TYR 38 13.672 -2.980 -5.733 250 HB2 TYR 38 1HB TYR 38 11.800 -3.498 -7.129 251 HB3 TYR 38 2HB TYR 38 13.238 -4.090 -7.951 252 HD1 TYR 38 2HD TYR 38 13.711 -6.527 -8.009 253 HD2 TYR 38 1HD TYR 38 10.077 -4.988 -6.418 254 HE1 TYR 38 2HE TYR 38 12.696 -8.760 -8.184 255 HE2 TYR 38 1HE TYR 38 9.052 -7.217 -6.588 256 HH TYR 38 HH TYR 38 10.735 -9.991 -6.949 257 H TYR 39 H TYR 39 11.433 -2.796 -4.818 258 HA TYR 39 HA TYR 39 11.037 -4.789 -2.682 259 HB2 TYR 39 1HB TYR 39 10.677 -1.790 -2.603 260 HB3 TYR 39 2HB TYR 39 10.077 -2.871 -1.350 261 HD1 TYR 39 1HD TYR 39 13.185 -1.786 -3.074 262 HD2 TYR 39 2HD TYR 39 11.481 -3.573 0.391 263 HE1 TYR 39 1HE TYR 39 15.376 -1.698 -1.959 264 HE2 TYR 39 2HE TYR 39 13.666 -3.489 1.516 265 HH TYR 39 HH TYR 39 16.406 -1.839 0.089 266 H GLY 40 H GLY 40 9.250 -5.928 -3.003 267 HA2 GLY 40 1HA GLY 40 7.173 -5.054 -4.773 268 HA3 GLY 40 2HA GLY 40 7.176 -6.529 -3.818 269 H ILE 41 H ILE 41 4.829 -5.287 -4.051 270 HA ILE 41 HA ILE 41 4.303 -4.450 -1.325 271 HB ILE 41 HB ILE 41 3.596 -2.662 -3.655 272 HG12 ILE 41 1HG1 ILE 41 5.329 -2.105 -1.239 273 HG13 ILE 41 2HG1 ILE 41 5.954 -2.528 -2.829 274 HG21 ILE 41 1HG2 ILE 41 3.091 -1.707 -0.936 275 HG22 ILE 41 2HG2 ILE 41 2.093 -1.593 -2.385 276 HG23 ILE 41 3HG2 ILE 41 2.084 -3.071 -1.423 277 HD11 ILE 41 1HD1 ILE 41 5.304 0.018 -1.832 278 HD12 ILE 41 2HD1 ILE 41 5.862 -0.412 -3.449 279 HD13 ILE 41 3HD1 ILE 41 4.135 -0.353 -3.099 280 H GLN 42 H GLN 42 2.387 -5.191 -0.631 281 HA GLN 42 HA GLN 42 0.457 -6.120 -2.653 282 HB2 GLN 42 1HB GLN 42 1.240 -7.423 -0.044 283 HB3 GLN 42 2HB GLN 42 -0.161 -7.906 -0.991 284 HG2 GLN 42 1HG GLN 42 1.312 -9.405 -1.806 285 HG3 GLN 42 2HG GLN 42 1.685 -8.072 -2.898 286 HE21 GLN 42 1HE2 GLN 42 2.952 -10.302 -0.792 287 HE22 GLN 42 2HE2 GLN 42 4.506 -9.590 -0.540 288 H TYR 43 H TYR 43 -1.667 -5.649 -2.335 289 HA TYR 43 HA TYR 43 -2.582 -4.596 0.206 290 HB2 TYR 43 1HB TYR 43 -3.417 -2.494 -0.758 291 HB3 TYR 43 2HB TYR 43 -1.664 -2.598 -0.866 292 HD1 TYR 43 1HD TYR 43 -0.592 -3.081 -3.060 293 HD2 TYR 43 2HD TYR 43 -4.769 -2.345 -2.712 294 HE1 TYR 43 1HE TYR 43 -0.712 -2.651 -5.479 295 HE2 TYR 43 2HE TYR 43 -4.900 -1.915 -5.130 296 HH TYR 43 HH TYR 43 -2.290 -2.611 -7.266 297 H ARG 44 H ARG 44 -4.794 -4.730 0.476 298 HA ARG 44 HA ARG 44 -6.555 -5.298 -1.720 299 HB2 ARG 44 1HB ARG 44 -5.852 -7.515 -1.627 300 HB3 ARG 44 2HB ARG 44 -5.629 -7.475 0.117 301 HG2 ARG 44 1HG ARG 44 -7.997 -7.540 0.483 302 HG3 ARG 44 2HG ARG 44 -8.309 -7.381 -1.247 303 HD2 ARG 44 1HD ARG 44 -6.817 -9.546 -1.373 304 HD3 ARG 44 2HD ARG 44 -7.325 -9.726 0.305 305 HE ARG 44 HE ARG 44 -9.341 -10.427 -0.475 306 HH11 ARG 44 2HH1 ARG 44 -7.868 -8.420 -2.909 307 HH12 ARG 44 1HH1 ARG 44 -9.146 -8.649 -4.057 308 HH21 ARG 44 2HH2 ARG 44 -11.029 -10.736 -1.978 309 HH22 ARG 44 1HH2 ARG 44 -10.944 -9.966 -3.526 310 H ALA 45 H ALA 45 -8.778 -5.342 -1.096 311 HA ALA 45 HA ALA 45 -9.589 -3.497 0.733 312 HB1 ALA 45 1HB ALA 45 -11.772 -4.938 0.798 313 HB2 ALA 45 2HB ALA 45 -11.267 -4.146 -0.695 314 HB3 ALA 45 3HB ALA 45 -10.952 -5.865 -0.459 315 H ALA 46 H ALA 46 -9.398 -3.344 2.861 316 HA ALA 46 HA ALA 46 -8.416 -5.288 4.561 317 HB1 ALA 46 1HB ALA 46 -10.138 -2.893 5.169 318 HB2 ALA 46 2HB ALA 46 -9.357 -3.881 6.405 319 HB3 ALA 46 3HB ALA 46 -8.378 -3.001 5.231 320 H GLY 47 H GLY 47 -9.232 -7.105 5.366 321 HA2 GLY 47 1HA GLY 47 -11.176 -7.955 6.726 322 HA3 GLY 47 2HA GLY 47 -12.170 -7.414 5.382 323 H THR 48 H THR 48 -12.163 -8.578 3.442 324 HA THR 48 HA THR 48 -12.219 -11.278 3.515 325 HB THR 48 HB THR 48 -11.211 -9.775 1.095 326 HG1 THR 48 1HG THR 48 -13.535 -9.686 0.618 327 HG21 THR 48 1HG2 THR 48 -13.096 -12.043 0.885 328 HG22 THR 48 2HG2 THR 48 -11.452 -12.439 1.384 329 HG23 THR 48 3HG2 THR 48 -11.733 -11.603 -0.142 330 H GLU 49 H GLU 49 -10.840 -12.990 3.277 331 HA GLU 49 HA GLU 49 -7.987 -12.370 3.540 332 HB2 GLU 49 1HB GLU 49 -9.308 -13.867 5.191 333 HB3 GLU 49 2HB GLU 49 -9.202 -15.090 3.932 334 HG2 GLU 49 1HG GLU 49 -6.741 -14.866 3.977 335 HG3 GLU 49 2HG GLU 49 -6.902 -13.738 5.322 336 H GLY 50 H GLY 50 -9.067 -12.083 0.983 337 HA2 GLY 50 1HA GLY 50 -8.463 -14.504 -0.510 338 HA3 GLY 50 2HA GLY 50 -9.045 -12.985 -1.175 339 HA PRO 51 HA PRO 51 -4.547 -13.468 -2.245 340 HB2 PRO 51 1HB PRO 51 -4.861 -12.898 -4.880 341 HB3 PRO 51 2HB PRO 51 -5.033 -14.530 -4.223 342 HG2 PRO 51 1HG PRO 51 -7.154 -12.537 -4.924 343 HG3 PRO 51 2HG PRO 51 -7.110 -14.281 -5.240 344 HD2 PRO 51 1HD PRO 51 -8.525 -13.206 -3.197 345 HD3 PRO 51 2HD PRO 51 -7.777 -14.813 -3.098 346 H PHE 52 H PHE 52 -3.578 -11.688 -1.477 347 HA PHE 52 HA PHE 52 -4.584 -9.049 -1.906 348 HB2 PHE 52 1HB PHE 52 -2.029 -10.105 -0.696 349 HB3 PHE 52 2HB PHE 52 -2.373 -8.384 -0.830 350 HD1 PHE 52 2HD PHE 52 -4.060 -11.491 0.369 351 HD2 PHE 52 1HD PHE 52 -3.266 -7.359 1.011 352 HE1 PHE 52 2HE PHE 52 -5.313 -11.583 2.484 353 HE2 PHE 52 1HE PHE 52 -4.517 -7.444 3.128 354 HZ PHE 52 HZ PHE 52 -5.544 -9.558 3.866 355 H GLN 53 H GLN 53 -3.810 -7.429 -3.218 356 HA GLN 53 HA GLN 53 -2.909 -8.028 -5.743 357 HB2 GLN 53 1HB GLN 53 -2.626 -5.485 -4.145 358 HB3 GLN 53 2HB GLN 53 -2.191 -5.598 -5.846 359 HG2 GLN 53 1HG GLN 53 -4.919 -6.383 -4.902 360 HG3 GLN 53 2HG GLN 53 -4.511 -4.696 -5.212 361 HE21 GLN 53 1HE2 GLN 53 -6.288 -6.775 -6.539 362 HE22 GLN 53 2HE2 GLN 53 -5.873 -6.665 -8.212 363 H GLU 54 H GLU 54 -0.804 -7.055 -6.709 364 HA GLU 54 HA GLU 54 1.523 -7.334 -5.007 365 HB2 GLU 54 1HB GLU 54 1.069 -9.658 -5.625 366 HB3 GLU 54 2HB GLU 54 1.051 -9.215 -7.326 367 HG2 GLU 54 1HG GLU 54 3.318 -9.006 -7.444 368 HG3 GLU 54 2HG GLU 54 3.480 -8.590 -5.739 369 H VAL 55 H VAL 55 3.024 -5.919 -5.616 370 HA VAL 55 HA VAL 55 3.064 -5.020 -8.420 371 HB VAL 55 HB VAL 55 3.378 -3.246 -5.994 372 HG11 VAL 55 1HG1 VAL 55 4.688 -2.850 -8.259 373 HG12 VAL 55 2HG1 VAL 55 3.134 -2.179 -8.755 374 HG13 VAL 55 3HG1 VAL 55 3.975 -1.515 -7.354 375 HG21 VAL 55 1HG2 VAL 55 1.224 -3.108 -8.086 376 HG22 VAL 55 2HG2 VAL 55 1.043 -4.042 -6.601 377 HG23 VAL 55 3HG2 VAL 55 1.286 -2.297 -6.521 378 H ASP 56 H ASP 56 4.989 -5.228 -9.342 379 HA ASP 56 HA ASP 56 7.376 -5.288 -7.615 380 HB2 ASP 56 1HB ASP 56 8.374 -6.913 -9.147 381 HB3 ASP 56 2HB ASP 56 6.856 -7.525 -8.496 382 H GLY 57 H GLY 57 9.162 -4.159 -8.274 383 HA2 GLY 57 1HA GLY 57 10.434 -3.160 -10.121 384 HA3 GLY 57 2HA GLY 57 8.895 -2.654 -10.803 385 H VAL 58 H VAL 58 9.885 -2.443 -7.420 386 HA VAL 58 HA VAL 58 9.680 0.490 -7.639 387 HB VAL 58 HB VAL 58 9.260 -1.117 -5.122 388 HG11 VAL 58 1HG1 VAL 58 8.295 1.657 -5.759 389 HG12 VAL 58 2HG1 VAL 58 8.409 0.868 -4.185 390 HG13 VAL 58 3HG1 VAL 58 9.875 1.349 -5.040 391 HG21 VAL 58 1HG2 VAL 58 6.785 -0.243 -5.776 392 HG22 VAL 58 2HG2 VAL 58 7.440 -0.594 -7.375 393 HG23 VAL 58 3HG2 VAL 58 7.393 -1.857 -6.145 394 H ALA 59 H ALA 59 11.886 0.773 -8.120 395 HA ALA 59 HA ALA 59 13.890 -0.220 -6.281 396 HB1 ALA 59 1HB ALA 59 14.955 -0.183 -8.253 397 HB2 ALA 59 2HB ALA 59 13.870 1.032 -8.929 398 HB3 ALA 59 3HB ALA 59 15.213 1.525 -7.898 399 H THR 60 H THR 60 11.909 1.536 -5.159 400 HA THR 60 HA THR 60 13.704 3.611 -4.133 401 HB THR 60 HB THR 60 11.639 5.163 -4.089 402 HG1 THR 60 1HG THR 60 10.330 4.663 -6.070 403 HG21 THR 60 1HG2 THR 60 13.573 5.669 -5.437 404 HG22 THR 60 2HG2 THR 60 12.123 5.960 -6.397 405 HG23 THR 60 3HG2 THR 60 13.076 4.500 -6.659 406 H THR 61 H THR 61 12.994 4.515 -2.074 407 HA THR 61 HA THR 61 11.741 2.466 -0.432 408 HB THR 61 HB THR 61 12.462 3.877 1.484 409 HG1 THR 61 1HG THR 61 12.480 5.822 -0.103 410 HG21 THR 61 1HG2 THR 61 14.043 2.344 -0.241 411 HG22 THR 61 2HG2 THR 61 14.400 2.773 1.432 412 HG23 THR 61 3HG2 THR 61 15.000 3.781 0.115 413 H ARG 62 H ARG 62 10.377 4.551 -2.305 414 HA ARG 62 HA ARG 62 8.157 5.044 -0.491 415 HB2 ARG 62 1HB ARG 62 9.782 7.063 -0.548 416 HB3 ARG 62 2HB ARG 62 9.144 7.336 -2.164 417 HG2 ARG 62 1HG ARG 62 7.063 7.921 -1.395 418 HG3 ARG 62 2HG ARG 62 7.245 7.012 0.107 419 HD2 ARG 62 1HD ARG 62 7.444 9.182 0.853 420 HD3 ARG 62 2HD ARG 62 9.131 8.741 0.597 421 HE ARG 62 HE ARG 62 9.236 10.420 -0.929 422 HH11 ARG 62 2HH1 ARG 62 5.935 9.328 -0.739 423 HH12 ARG 62 1HH1 ARG 62 5.346 10.498 -1.872 424 HH21 ARG 62 2HH2 ARG 62 8.471 11.965 -2.423 425 HH22 ARG 62 1HH2 ARG 62 6.789 11.997 -2.830 426 H TYR 63 H TYR 63 6.313 4.544 -1.473 427 HA TYR 63 HA TYR 63 5.962 5.061 -4.313 428 HB2 TYR 63 1HB TYR 63 6.897 2.828 -4.350 429 HB3 TYR 63 2HB TYR 63 5.758 2.289 -3.121 430 HD1 TYR 63 1HD TYR 63 6.141 3.247 -6.650 431 HD2 TYR 63 2HD TYR 63 3.487 1.733 -3.689 432 HE1 TYR 63 1HE TYR 63 4.565 2.576 -8.415 433 HE2 TYR 63 2HE TYR 63 1.905 1.056 -5.446 434 HH TYR 63 HH TYR 63 2.404 0.478 -8.249 435 H SER 64 H SER 64 3.789 5.117 -4.972 436 HA SER 64 HA SER 64 1.860 5.183 -2.745 437 HB2 SER 64 1HB SER 64 0.633 6.891 -3.993 438 HB3 SER 64 2HB SER 64 2.304 7.398 -3.750 439 HG SER 64 HG SER 64 0.974 7.075 -6.046 440 H ILE 65 H ILE 65 -0.155 4.262 -3.014 441 HA ILE 65 HA ILE 65 -0.395 2.455 -5.322 442 HB ILE 65 HB ILE 65 -1.711 2.287 -2.608 443 HG12 ILE 65 1HG1 ILE 65 -0.279 0.039 -2.788 444 HG13 ILE 65 2HG1 ILE 65 0.709 1.054 -3.832 445 HG21 ILE 65 1HG2 ILE 65 -3.139 1.425 -4.411 446 HG22 ILE 65 2HG2 ILE 65 -1.834 0.355 -4.920 447 HG23 ILE 65 3HG2 ILE 65 -2.582 0.141 -3.338 448 HD11 ILE 65 1HD1 ILE 65 -0.030 1.652 -0.978 449 HD12 ILE 65 2HD1 ILE 65 1.532 1.067 -1.551 450 HD13 ILE 65 3HD1 ILE 65 0.962 2.668 -2.023 451 H GLY 66 H GLY 66 -2.250 2.387 -6.547 452 HA2 GLY 66 1HA GLY 66 -4.349 4.351 -5.890 453 HA3 GLY 66 2HA GLY 66 -3.642 4.306 -7.499 454 H GLY 67 H GLY 67 -6.313 4.056 -7.327 455 HA2 GLY 67 1HA GLY 67 -7.819 2.668 -8.474 456 HA3 GLY 67 2HA GLY 67 -6.701 1.327 -8.273 457 H LEU 68 H LEU 68 -7.627 3.343 -5.585 458 HA LEU 68 HA LEU 68 -9.047 1.042 -4.432 459 HB2 LEU 68 1HB LEU 68 -7.873 3.432 -3.021 460 HB3 LEU 68 2HB LEU 68 -8.568 2.001 -2.262 461 HG LEU 68 HG LEU 68 -6.100 1.931 -3.990 462 HD11 LEU 68 1HD1 LEU 68 -5.690 3.354 -2.054 463 HD12 LEU 68 2HD1 LEU 68 -4.824 1.825 -1.912 464 HD13 LEU 68 3HD1 LEU 68 -6.300 2.091 -0.985 465 HD21 LEU 68 1HD2 LEU 68 -7.778 -0.083 -3.052 466 HD22 LEU 68 2HD2 LEU 68 -6.394 -0.100 -1.958 467 HD23 LEU 68 3HD2 LEU 68 -6.147 -0.273 -3.696 468 H SER 69 H SER 69 -10.839 1.608 -2.905 469 HA SER 69 HA SER 69 -12.600 3.528 -4.209 470 HB2 SER 69 1HB SER 69 -13.032 1.293 -2.240 471 HB3 SER 69 2HB SER 69 -14.290 2.490 -2.546 472 HG SER 69 HG SER 69 -14.180 0.442 -3.878 473 HA PRO 70 HA PRO 70 -12.172 6.654 -1.147 474 HB2 PRO 70 1HB PRO 70 -14.592 7.861 -1.386 475 HB3 PRO 70 2HB PRO 70 -13.313 8.025 -2.595 476 HG2 PRO 70 1HG PRO 70 -15.712 6.235 -2.608 477 HG3 PRO 70 2HG PRO 70 -15.028 7.199 -3.930 478 HD2 PRO 70 1HD PRO 70 -14.592 4.537 -3.689 479 HD3 PRO 70 2HD PRO 70 -13.389 5.643 -4.383 480 H PHE 71 H PHE 71 -12.508 6.873 0.999 481 HA PHE 71 HA PHE 71 -13.304 6.514 3.099 482 HB2 PHE 71 1HB PHE 71 -15.453 7.334 1.854 483 HB3 PHE 71 2HB PHE 71 -15.957 5.653 1.997 484 HD1 PHE 71 2HD PHE 71 -14.146 7.918 4.338 485 HD2 PHE 71 1HD PHE 71 -17.584 5.517 3.613 486 HE1 PHE 71 2HE PHE 71 -14.928 8.353 6.630 487 HE2 PHE 71 1HE PHE 71 -18.372 5.948 5.904 488 HZ PHE 71 HZ PHE 71 -17.043 7.366 7.416 489 H SER 72 H SER 72 -12.159 4.345 1.451 490 HA SER 72 HA SER 72 -13.412 2.018 2.750 491 HB2 SER 72 1HB SER 72 -12.552 0.645 0.994 492 HB3 SER 72 2HB SER 72 -13.271 2.057 0.218 493 HG SER 72 HG SER 72 -11.073 2.940 0.234 494 H GLU 73 H GLU 73 -11.820 0.225 3.255 495 HA GLU 73 HA GLU 73 -9.369 1.392 4.403 496 HB2 GLU 73 1HB GLU 73 -11.198 0.598 6.005 497 HB3 GLU 73 2HB GLU 73 -10.796 -1.032 5.484 498 HG2 GLU 73 1HG GLU 73 -9.474 -0.901 7.317 499 HG3 GLU 73 2HG GLU 73 -8.355 -0.249 6.121 500 H TYR 74 H TYR 74 -7.475 0.511 3.850 501 HA TYR 74 HA TYR 74 -7.452 -2.164 2.638 502 HB2 TYR 74 1HB TYR 74 -6.454 0.395 1.448 503 HB3 TYR 74 2HB TYR 74 -5.610 -1.107 1.086 504 HD1 TYR 74 2HD TYR 74 -6.708 -2.872 -0.203 505 HD2 TYR 74 1HD TYR 74 -8.667 0.823 0.580 506 HE1 TYR 74 2HE TYR 74 -8.358 -3.382 -1.955 507 HE2 TYR 74 1HE TYR 74 -10.323 0.323 -1.169 508 HH TYR 74 HH TYR 74 -11.073 -2.373 -2.274 509 H ALA 75 H ALA 75 -5.430 -3.259 2.755 510 HA ALA 75 HA ALA 75 -3.672 -2.210 4.875 511 HB1 ALA 75 1HB ALA 75 -3.401 -4.323 5.729 512 HB2 ALA 75 2HB ALA 75 -5.061 -4.416 5.141 513 HB3 ALA 75 3HB ALA 75 -3.749 -5.109 4.189 514 H PHE 76 H PHE 76 -1.766 -1.530 4.175 515 HA PHE 76 HA PHE 76 -0.693 -2.596 1.668 516 HB2 PHE 76 1HB PHE 76 0.184 -0.188 3.276 517 HB3 PHE 76 2HB PHE 76 0.801 -0.653 1.694 518 HD1 PHE 76 1HD PHE 76 -0.739 -0.597 -0.278 519 HD2 PHE 76 2HD PHE 76 -1.784 1.073 3.496 520 HE1 PHE 76 1HE PHE 76 -2.506 0.732 -1.359 521 HE2 PHE 76 2HE PHE 76 -3.553 2.403 2.421 522 HZ PHE 76 HZ PHE 76 -3.916 2.234 -0.009 523 H ARG 77 H ARG 77 1.551 -3.177 1.510 524 HA ARG 77 HA ARG 77 3.141 -3.532 3.864 525 HB2 ARG 77 1HB ARG 77 3.199 -5.945 3.905 526 HB3 ARG 77 2HB ARG 77 1.533 -5.411 4.082 527 HG2 ARG 77 1HG ARG 77 1.281 -5.801 1.597 528 HG3 ARG 77 2HG ARG 77 2.845 -6.615 1.666 529 HD2 ARG 77 1HD ARG 77 1.035 -8.227 1.835 530 HD3 ARG 77 2HD ARG 77 1.954 -8.168 3.338 531 HE ARG 77 HE ARG 77 -0.121 -6.416 3.701 532 HH11 ARG 77 2HH1 ARG 77 0.183 -9.794 2.914 533 HH12 ARG 77 1HH1 ARG 77 -1.312 -10.238 3.669 534 HH21 ARG 77 2HH2 ARG 77 -2.091 -6.989 4.699 535 HH22 ARG 77 1HH2 ARG 77 -2.605 -8.641 4.683 536 H VAL 78 H VAL 78 5.190 -3.327 3.257 537 HA VAL 78 HA VAL 78 5.878 -3.876 0.449 538 HB VAL 78 HB VAL 78 7.442 -2.177 2.391 539 HG11 VAL 78 1HG1 VAL 78 8.980 -2.306 0.785 540 HG12 VAL 78 2HG1 VAL 78 7.858 -3.094 -0.326 541 HG13 VAL 78 3HG1 VAL 78 7.895 -1.334 -0.209 542 HG21 VAL 78 1HG2 VAL 78 4.959 -1.526 1.587 543 HG22 VAL 78 2HG2 VAL 78 6.229 -0.339 1.882 544 HG23 VAL 78 3HG2 VAL 78 5.895 -0.882 0.238 545 H LEU 79 H LEU 79 7.796 -4.974 -0.061 546 HA LEU 79 HA LEU 79 9.260 -6.241 2.127 547 HB2 LEU 79 1HB LEU 79 9.037 -8.448 1.204 548 HB3 LEU 79 2HB LEU 79 7.437 -7.777 1.515 549 HG LEU 79 HG LEU 79 8.608 -7.608 -1.231 550 HD11 LEU 79 1HD1 LEU 79 7.025 -9.983 -0.304 551 HD12 LEU 79 2HD1 LEU 79 8.788 -9.977 -0.316 552 HD13 LEU 79 3HD1 LEU 79 7.896 -9.761 -1.822 553 HD21 LEU 79 1HD2 LEU 79 6.560 -6.937 -1.792 554 HD22 LEU 79 2HD2 LEU 79 6.242 -6.778 -0.064 555 HD23 LEU 79 3HD2 LEU 79 5.801 -8.262 -0.910 556 H ALA 80 H ALA 80 11.334 -7.008 1.547 557 HA ALA 80 HA ALA 80 12.467 -5.611 -0.735 558 HB1 ALA 80 1HB ALA 80 14.617 -6.151 0.217 559 HB2 ALA 80 2HB ALA 80 13.560 -5.514 1.478 560 HB3 ALA 80 3HB ALA 80 13.865 -7.248 1.376 561 H VAL 81 H VAL 81 13.541 -6.573 -2.442 562 HA VAL 81 HA VAL 81 13.633 -9.481 -2.606 563 HB VAL 81 HB VAL 81 12.319 -7.928 -4.828 564 HG11 VAL 81 1HG1 VAL 81 13.147 -10.682 -4.398 565 HG12 VAL 81 2HG1 VAL 81 11.452 -10.546 -4.870 566 HG13 VAL 81 3HG1 VAL 81 12.712 -9.851 -5.891 567 HG21 VAL 81 1HG2 VAL 81 10.192 -9.024 -3.958 568 HG22 VAL 81 2HG2 VAL 81 11.071 -9.277 -2.450 569 HG23 VAL 81 3HG2 VAL 81 10.804 -7.641 -3.052 570 H ASN 82 H ASN 82 15.357 -10.197 -3.726 571 HA ASN 82 HA ASN 82 16.675 -8.458 -5.655 572 HB2 ASN 82 1HB ASN 82 18.740 -8.332 -4.585 573 HB3 ASN 82 2HB ASN 82 17.613 -8.127 -3.247 574 HD21 ASN 82 1HD2 ASN 82 17.430 -9.710 -1.706 575 HD22 ASN 82 2HD2 ASN 82 18.524 -11.042 -1.593 576 H SER 83 H SER 83 18.831 -9.757 -6.350 577 HA SER 83 HA SER 83 18.206 -11.762 -7.990 578 HB2 SER 83 1HB SER 83 20.714 -11.642 -6.298 579 HB3 SER 83 2HB SER 83 20.522 -12.649 -7.734 580 HG SER 83 HG SER 83 20.988 -9.952 -7.525 581 H ILE 84 H ILE 84 18.960 -12.222 -4.555 582 HA ILE 84 HA ILE 84 18.767 -15.013 -4.492 583 HB ILE 84 HB ILE 84 18.056 -13.092 -2.272 584 HG12 ILE 84 1HG1 ILE 84 20.250 -12.516 -2.812 585 HG13 ILE 84 2HG1 ILE 84 20.476 -13.745 -1.573 586 HG21 ILE 84 1HG2 ILE 84 18.907 -15.984 -2.177 587 HG22 ILE 84 2HG2 ILE 84 18.602 -14.948 -0.784 588 HG23 ILE 84 3HG2 ILE 84 17.281 -15.373 -1.872 589 HD11 ILE 84 1HD1 ILE 84 22.020 -14.069 -3.407 590 HD12 ILE 84 2HD1 ILE 84 20.881 -15.412 -3.315 591 HD13 ILE 84 3HD1 ILE 84 20.676 -14.166 -4.545 592 H GLY 85 H GLY 85 16.297 -12.637 -3.477 593 HA2 GLY 85 1HA GLY 85 14.129 -13.661 -4.806 594 HA3 GLY 85 2HA GLY 85 14.247 -14.636 -3.349 595 H ARG 86 H ARG 86 12.066 -13.678 -3.013 596 HA ARG 86 HA ARG 86 12.144 -10.913 -2.046 597 HB2 ARG 86 1HB ARG 86 9.565 -11.512 -1.800 598 HB3 ARG 86 2HB ARG 86 10.262 -11.016 -3.337 599 HG2 ARG 86 1HG ARG 86 10.265 -13.199 -4.173 600 HG3 ARG 86 2HG ARG 86 10.054 -13.905 -2.569 601 HD2 ARG 86 1HD ARG 86 7.826 -12.467 -2.648 602 HD3 ARG 86 2HD ARG 86 8.058 -12.662 -4.385 603 HE ARG 86 HE ARG 86 7.319 -14.703 -2.484 604 HH11 ARG 86 2HH1 ARG 86 8.643 -14.023 -5.632 605 HH12 ARG 86 1HH1 ARG 86 8.239 -15.578 -6.281 606 HH21 ARG 86 2HH2 ARG 86 6.782 -16.753 -3.328 607 HH22 ARG 86 1HH2 ARG 86 7.180 -17.130 -4.970 608 H GLY 87 H GLY 87 12.606 -10.643 0.033 609 HA2 GLY 87 1HA GLY 87 12.467 -12.737 1.952 610 HA3 GLY 87 2HA GLY 87 12.793 -11.043 2.290 611 HA PRO 88 HA PRO 88 8.640 -12.213 4.060 612 HB2 PRO 88 1HB PRO 88 9.157 -11.289 6.560 613 HB3 PRO 88 2HB PRO 88 9.552 -12.933 6.042 614 HG2 PRO 88 1HG PRO 88 11.330 -10.534 6.248 615 HG3 PRO 88 2HG PRO 88 11.652 -12.209 6.730 616 HD2 PRO 88 1HD PRO 88 12.584 -11.154 4.416 617 HD3 PRO 88 2HD PRO 88 12.144 -12.867 4.576 618 HA PRO 89 HA PRO 89 7.140 -8.102 3.464 619 HB2 PRO 89 1HB PRO 89 4.678 -8.398 4.570 620 HB3 PRO 89 2HB PRO 89 5.112 -9.075 2.996 621 HG2 PRO 89 1HG PRO 89 4.992 -10.420 5.667 622 HG3 PRO 89 2HG PRO 89 4.426 -11.007 4.093 623 HD2 PRO 89 1HD PRO 89 6.772 -11.803 5.187 624 HD3 PRO 89 2HD PRO 89 6.539 -11.653 3.434 625 H SER 90 H SER 90 6.803 -6.187 4.584 626 HA SER 90 HA SER 90 7.720 -6.184 7.325 627 HB2 SER 90 1HB SER 90 8.564 -4.482 5.791 628 HB3 SER 90 2HB SER 90 6.923 -3.909 5.492 629 HG SER 90 HG SER 90 8.523 -3.629 7.780 630 H GLU 91 H GLU 91 6.596 -4.963 9.015 631 HA GLU 91 HA GLU 91 4.116 -5.899 9.635 632 HB2 GLU 91 1HB GLU 91 3.894 -3.894 11.142 633 HB3 GLU 91 2HB GLU 91 5.392 -4.797 11.317 634 HG2 GLU 91 1HG GLU 91 6.331 -3.060 9.633 635 HG3 GLU 91 2HG GLU 91 4.939 -2.099 10.130 636 H ALA 92 H ALA 92 2.630 -5.899 7.982 637 HA ALA 92 HA ALA 92 1.976 -3.938 6.197 638 HB1 ALA 92 1HB ALA 92 -0.093 -5.012 5.876 639 HB2 ALA 92 2HB ALA 92 1.020 -6.281 6.388 640 HB3 ALA 92 3HB ALA 92 -0.135 -5.605 7.537 641 H VAL 93 H VAL 93 0.606 -2.174 6.128 642 HA VAL 93 HA VAL 93 -0.310 -1.167 8.745 643 HB VAL 93 HB VAL 93 -0.022 1.132 7.755 644 HG11 VAL 93 1HG1 VAL 93 1.837 -0.586 8.960 645 HG12 VAL 93 2HG1 VAL 93 2.716 0.267 7.690 646 HG13 VAL 93 3HG1 VAL 93 1.860 1.177 8.935 647 HG21 VAL 93 1HG2 VAL 93 0.812 1.481 5.698 648 HG22 VAL 93 2HG2 VAL 93 1.975 0.163 5.836 649 HG23 VAL 93 3HG2 VAL 93 0.303 -0.180 5.393 650 H ARG 94 H ARG 94 -2.306 -0.167 8.858 651 HA ARG 94 HA ARG 94 -4.038 -0.587 6.517 652 HB2 ARG 94 1HB ARG 94 -4.524 -0.691 9.469 653 HB3 ARG 94 2HB ARG 94 -5.857 -0.308 8.388 654 HG2 ARG 94 1HG ARG 94 -5.222 -2.439 7.134 655 HG3 ARG 94 2HG ARG 94 -4.249 -2.831 8.553 656 HD2 ARG 94 1HD ARG 94 -7.080 -2.011 8.959 657 HD3 ARG 94 2HD ARG 94 -6.760 -3.625 8.325 658 HE ARG 94 HE ARG 94 -5.118 -3.382 10.502 659 HH11 ARG 94 2HH1 ARG 94 -8.542 -3.123 9.928 660 HH12 ARG 94 1HH1 ARG 94 -8.981 -3.663 11.515 661 HH21 ARG 94 2HH2 ARG 94 -5.683 -4.093 12.594 662 HH22 ARG 94 1HH2 ARG 94 -7.354 -4.213 13.031 663 H ALA 95 H ALA 95 -4.636 1.163 5.440 664 HA ALA 95 HA ALA 95 -5.016 3.679 6.915 665 HB1 ALA 95 1HB ALA 95 -2.823 3.590 5.653 666 HB2 ALA 95 2HB ALA 95 -3.784 3.588 4.173 667 HB3 ALA 95 3HB ALA 95 -3.881 4.953 5.285 668 H ARG 96 H ARG 96 -6.999 4.445 6.644 669 HA ARG 96 HA ARG 96 -8.648 3.426 4.469 670 HB2 ARG 96 1HB ARG 96 -9.306 3.684 6.998 671 HB3 ARG 96 2HB ARG 96 -9.640 5.348 6.537 672 HG2 ARG 96 1HG ARG 96 -11.162 4.495 4.771 673 HG3 ARG 96 2HG ARG 96 -10.902 2.866 5.399 674 HD2 ARG 96 1HD ARG 96 -11.971 3.353 7.424 675 HD3 ARG 96 2HD ARG 96 -11.843 5.094 7.173 676 HE ARG 96 HE ARG 96 -13.410 4.190 5.115 677 HH11 ARG 96 2HH1 ARG 96 -13.543 4.064 8.592 678 HH12 ARG 96 1HH1 ARG 96 -15.274 4.048 8.655 679 HH21 ARG 96 2HH2 ARG 96 -15.690 4.170 5.186 680 HH22 ARG 96 1HH2 ARG 96 -16.495 4.107 6.717 681 H THR 97 H THR 97 -9.112 4.543 2.691 682 HA THR 97 HA THR 97 -7.898 7.018 2.115 683 HB THR 97 HB THR 97 -9.112 6.995 0.035 684 HG1 THR 97 1HG THR 97 -11.012 5.833 1.483 685 HG21 THR 97 1HG2 THR 97 -7.720 5.384 -0.618 686 HG22 THR 97 2HG2 THR 97 -8.904 4.183 -0.102 687 HG23 THR 97 3HG2 THR 97 -7.660 4.734 1.020 688 H GLY 98 H GLY 98 -8.960 9.040 1.557 689 HA2 GLY 98 1HA GLY 98 -10.961 9.731 3.549 690 HA3 GLY 98 2HA GLY 98 -10.084 10.851 2.517 691 H GLU 99 H GLU 99 -12.820 11.080 2.992 692 HA GLU 99 HA GLU 99 -14.231 9.951 0.731 693 HB2 GLU 99 1HB GLU 99 -14.989 11.641 3.081 694 HB3 GLU 99 2HB GLU 99 -16.064 11.569 1.692 695 HG2 GLU 99 1HG GLU 99 -15.080 9.021 2.863 696 HG3 GLU 99 2HG GLU 99 -16.331 9.922 3.716 697 H GLN 100 H GLN 100 -12.336 11.235 -0.477 698 HA GLN 100 HA GLN 100 -12.852 14.012 -0.941 699 HB2 GLN 100 1HB GLN 100 -11.016 11.965 -2.121 700 HB3 GLN 100 2HB GLN 100 -11.263 13.488 -2.965 701 HG2 GLN 100 1HG GLN 100 -10.337 13.239 -0.112 702 HG3 GLN 100 2HG GLN 100 -9.278 13.478 -1.501 703 HE21 GLN 100 1HE2 GLN 100 -9.533 15.190 0.763 704 HE22 GLN 100 2HE2 GLN 100 -10.100 16.719 0.192 705 H SER 101 H SER 101 -13.054 11.177 -3.101 706 HA SER 101 HA SER 101 -15.326 12.483 -4.443 707 HB2 SER 101 1HB SER 101 -14.516 11.854 -6.595 708 HB3 SER 101 2HB SER 101 -13.152 12.595 -5.757 709 HG SER 101 HG SER 101 -12.690 10.282 -5.135 710 H GLY 102 H GLY 102 -16.625 10.904 -5.766 711 HA2 GLY 102 1HA GLY 102 -17.177 8.546 -6.127 712 HA3 GLY 102 2HA GLY 102 -16.639 8.244 -4.481 713 HA PRO 103 HA PRO 103 -21.254 8.617 -4.431 714 HB2 PRO 103 1HB PRO 103 -21.641 6.455 -2.835 715 HB3 PRO 103 2HB PRO 103 -21.504 6.339 -4.594 716 HG2 PRO 103 1HG PRO 103 -19.432 5.829 -2.494 717 HG3 PRO 103 2HG PRO 103 -19.795 4.896 -3.958 718 HD2 PRO 103 1HD PRO 103 -17.722 6.632 -3.814 719 HD3 PRO 103 2HD PRO 103 -18.615 6.333 -5.319 720 H SER 104 H SER 104 -22.425 9.601 -2.851 721 HA SER 104 HA SER 104 -20.996 10.318 -0.411 722 HB2 SER 104 1HB SER 104 -22.716 12.027 -0.127 723 HB3 SER 104 2HB SER 104 -22.059 12.102 -1.762 724 HG SER 104 HG SER 104 -23.917 10.754 -2.355 725 H SER 105 H SER 105 -24.026 8.803 -1.430 726 HA SER 105 HA SER 105 -24.646 8.123 1.346 727 HB2 SER 105 1HB SER 105 -26.209 8.146 -1.210 728 HB3 SER 105 2HB SER 105 -26.752 7.129 0.124 729 HG SER 105 HG SER 105 -26.319 9.934 0.192 730 H GLY 106 H GLY 106 -22.392 6.849 0.327 731 HA2 GLY 106 1HA GLY 106 -22.596 4.435 -0.921 732 HA3 GLY 106 2HA GLY 106 -21.493 4.727 0.415 Start of MODEL 15 1 H1 GLY 1 H GLY 1 16.263 -16.524 12.362 2 HA2 GLY 1 1HA GLY 1 16.535 -18.725 13.407 3 HA3 GLY 1 2HA GLY 1 14.914 -18.123 13.719 4 H SER 2 H SER 2 13.421 -19.630 13.462 5 HA SER 2 HA SER 2 13.787 -22.127 12.343 6 HB2 SER 2 1HB SER 2 11.896 -21.491 13.831 7 HB3 SER 2 2HB SER 2 11.166 -20.617 12.485 8 HG SER 2 HG SER 2 11.528 -22.866 11.431 9 H SER 3 H SER 3 12.257 -19.286 10.840 10 HA SER 3 HA SER 3 11.413 -20.150 8.459 11 HB2 SER 3 1HB SER 3 13.158 -17.716 8.902 12 HB3 SER 3 2HB SER 3 12.198 -18.006 7.452 13 HG SER 3 HG SER 3 10.445 -17.471 8.503 14 H GLY 4 H GLY 4 12.214 -21.598 7.093 15 HA2 GLY 4 1HA GLY 4 15.014 -22.168 6.917 16 HA3 GLY 4 2HA GLY 4 13.743 -22.878 5.933 17 H SER 5 H SER 5 12.722 -21.119 4.392 18 HA SER 5 HA SER 5 14.497 -20.577 2.388 19 HB2 SER 5 1HB SER 5 12.068 -18.895 3.050 20 HB3 SER 5 2HB SER 5 12.851 -19.025 1.476 21 HG SER 5 HG SER 5 11.479 -21.059 2.897 22 H SER 6 H SER 6 16.024 -19.105 1.966 23 HA SER 6 HA SER 6 16.500 -17.027 3.978 24 HB2 SER 6 1HB SER 6 18.285 -18.751 3.227 25 HB3 SER 6 2HB SER 6 18.417 -17.758 1.776 26 HG SER 6 HG SER 6 19.666 -16.528 2.916 27 H GLY 7 H GLY 7 17.430 -14.940 3.133 28 HA2 GLY 7 1HA GLY 7 17.312 -13.897 0.644 29 HA3 GLY 7 2HA GLY 7 15.623 -13.896 1.130 30 HA PRO 8 HA PRO 8 17.570 -9.904 2.495 31 HB2 PRO 8 1HB PRO 8 15.597 -8.324 1.504 32 HB3 PRO 8 2HB PRO 8 16.984 -8.847 0.541 33 HG2 PRO 8 1HG PRO 8 14.205 -9.958 0.619 34 HG3 PRO 8 2HG PRO 8 15.247 -9.647 -0.782 35 HD2 PRO 8 1HD PRO 8 14.928 -12.119 0.277 36 HD3 PRO 8 2HD PRO 8 16.445 -11.593 -0.481 37 H LYS 9 H LYS 9 16.466 -8.141 3.806 38 HA LYS 9 HA LYS 9 14.595 -9.419 5.666 39 HB2 LYS 9 1HB LYS 9 16.565 -7.170 5.914 40 HB3 LYS 9 2HB LYS 9 15.244 -7.316 7.065 41 HG2 LYS 9 1HG LYS 9 16.126 -9.795 7.236 42 HG3 LYS 9 2HG LYS 9 17.622 -9.050 6.669 43 HD2 LYS 9 1HD LYS 9 16.030 -8.187 9.085 44 HD3 LYS 9 2HD LYS 9 17.518 -9.137 9.119 45 HE2 LYS 9 1HE LYS 9 18.720 -7.284 8.065 46 HE3 LYS 9 2HE LYS 9 17.233 -6.338 8.027 47 HZ1 LYS 9 1HZ LYS 9 17.845 -5.583 10.009 48 HZ2 LYS 9 2HZ LYS 9 19.068 -6.739 10.176 49 HZ3 LYS 9 3HZ LYS 9 17.484 -7.113 10.634 50 HA PRO 10 HA PRO 10 11.205 -6.859 4.559 51 HB2 PRO 10 1HB PRO 10 9.988 -6.512 6.961 52 HB3 PRO 10 2HB PRO 10 9.960 -8.046 6.083 53 HG2 PRO 10 1HG PRO 10 11.705 -7.200 8.364 54 HG3 PRO 10 2HG PRO 10 10.883 -8.749 8.098 55 HD2 PRO 10 1HD PRO 10 13.516 -8.389 7.578 56 HD3 PRO 10 2HD PRO 10 12.500 -9.500 6.637 57 HA PRO 11 HA PRO 11 12.372 -2.649 5.191 58 HB2 PRO 11 1HB PRO 11 10.063 -1.452 4.413 59 HB3 PRO 11 2HB PRO 11 11.192 -2.193 3.273 60 HG2 PRO 11 1HG PRO 11 8.654 -3.297 4.415 61 HG3 PRO 11 2HG PRO 11 9.255 -3.368 2.748 62 HD2 PRO 11 1HD PRO 11 9.471 -5.451 4.464 63 HD3 PRO 11 2HD PRO 11 10.675 -5.126 3.201 64 H ILE 12 H ILE 12 12.027 -0.889 6.582 65 HA ILE 12 HA ILE 12 10.068 -1.367 8.732 66 HB ILE 12 HB ILE 12 11.631 -0.227 10.274 67 HG12 ILE 12 1HG1 ILE 12 13.721 -0.541 8.123 68 HG13 ILE 12 2HG1 ILE 12 12.841 0.964 8.360 69 HG21 ILE 12 1HG2 ILE 12 11.660 -2.569 10.401 70 HG22 ILE 12 2HG2 ILE 12 12.517 -2.727 8.869 71 HG23 ILE 12 3HG2 ILE 12 13.357 -2.103 10.289 72 HD11 ILE 12 1HD1 ILE 12 13.791 0.225 10.885 73 HD12 ILE 12 2HD1 ILE 12 15.120 -0.044 9.757 74 HD13 ILE 12 3HD1 ILE 12 14.356 1.542 9.857 75 H ASP 13 H ASP 13 9.884 0.811 10.080 76 HA ASP 13 HA ASP 13 8.983 2.899 10.143 77 HB2 ASP 13 1HB ASP 13 10.992 3.213 7.919 78 HB3 ASP 13 2HB ASP 13 9.993 4.557 8.464 79 H LEU 14 H LEU 14 7.632 0.853 8.609 80 HA LEU 14 HA LEU 14 6.608 1.955 6.195 81 HB2 LEU 14 1HB LEU 14 6.640 -0.499 7.063 82 HB3 LEU 14 2HB LEU 14 5.120 -0.054 7.836 83 HG LEU 14 HG LEU 14 4.216 0.534 5.597 84 HD11 LEU 14 1HD1 LEU 14 5.777 0.941 4.042 85 HD12 LEU 14 2HD1 LEU 14 5.755 -0.806 3.806 86 HD13 LEU 14 3HD1 LEU 14 6.982 -0.071 4.838 87 HD21 LEU 14 1HD2 LEU 14 4.192 -1.890 4.770 88 HD22 LEU 14 2HD2 LEU 14 3.563 -1.567 6.385 89 HD23 LEU 14 3HD2 LEU 14 5.179 -2.246 6.187 90 H VAL 15 H VAL 15 5.666 3.920 6.367 91 HA VAL 15 HA VAL 15 3.159 4.054 7.850 92 HB VAL 15 HB VAL 15 4.915 6.447 8.084 93 HG11 VAL 15 1HG1 VAL 15 3.643 6.096 10.456 94 HG12 VAL 15 2HG1 VAL 15 2.987 7.009 9.095 95 HG13 VAL 15 3HG1 VAL 15 2.511 5.328 9.344 96 HG21 VAL 15 1HG2 VAL 15 5.947 5.625 10.118 97 HG22 VAL 15 2HG2 VAL 15 5.137 4.070 9.929 98 HG23 VAL 15 3HG2 VAL 15 6.362 4.574 8.765 99 H VAL 16 H VAL 16 1.691 5.588 7.049 100 HA VAL 16 HA VAL 16 2.346 6.556 4.353 101 HB VAL 16 HB VAL 16 0.458 5.142 4.244 102 HG11 VAL 16 1HG1 VAL 16 -0.500 4.729 6.235 103 HG12 VAL 16 2HG1 VAL 16 -0.200 6.362 6.834 104 HG13 VAL 16 3HG1 VAL 16 -1.582 6.046 5.784 105 HG21 VAL 16 1HG2 VAL 16 0.260 7.883 3.642 106 HG22 VAL 16 2HG2 VAL 16 -0.631 6.548 2.911 107 HG23 VAL 16 3HG2 VAL 16 -1.303 7.400 4.301 108 H THR 17 H THR 17 2.318 8.672 3.867 109 HA THR 17 HA THR 17 1.735 10.547 6.047 110 HB THR 17 HB THR 17 3.987 10.645 4.982 111 HG1 THR 17 1HG THR 17 3.654 13.043 4.421 112 HG21 THR 17 1HG2 THR 17 2.723 11.925 2.593 113 HG22 THR 17 2HG2 THR 17 2.907 10.172 2.649 114 HG23 THR 17 3HG2 THR 17 4.326 11.213 2.766 115 H GLU 18 H GLU 18 1.010 9.913 2.645 116 HA GLU 18 HA GLU 18 -1.190 11.866 2.826 117 HB2 GLU 18 1HB GLU 18 0.636 11.132 0.568 118 HB3 GLU 18 2HB GLU 18 -0.981 11.726 0.218 119 HG2 GLU 18 1HG GLU 18 -0.539 13.794 1.317 120 HG3 GLU 18 2HG GLU 18 1.000 13.198 1.936 121 H THR 19 H THR 19 -3.217 11.267 2.153 122 HA THR 19 HA THR 19 -3.592 8.553 1.115 123 HB THR 19 HB THR 19 -5.679 8.576 2.779 124 HG1 THR 19 1HG THR 19 -5.027 9.477 4.780 125 HG21 THR 19 1HG2 THR 19 -3.523 7.688 4.395 126 HG22 THR 19 2HG2 THR 19 -3.111 7.342 2.715 127 HG23 THR 19 3HG2 THR 19 -4.613 6.723 3.401 128 H THR 20 H THR 20 -4.621 8.871 -0.746 129 HA THR 20 HA THR 20 -6.530 11.067 -1.005 130 HB THR 20 HB THR 20 -5.957 9.258 -3.298 131 HG1 THR 20 1HG THR 20 -4.096 11.238 -2.444 132 HG21 THR 20 1HG2 THR 20 -7.060 10.946 -4.261 133 HG22 THR 20 2HG2 THR 20 -5.618 11.928 -4.001 134 HG23 THR 20 3HG2 THR 20 -6.924 11.946 -2.816 135 H ALA 21 H ALA 21 -8.483 10.513 -2.466 136 HA ALA 21 HA ALA 21 -10.082 8.627 -1.071 137 HB1 ALA 21 1HB ALA 21 -10.516 10.335 -3.494 138 HB2 ALA 21 2HB ALA 21 -11.718 9.147 -2.989 139 HB3 ALA 21 3HB ALA 21 -11.259 10.455 -1.899 140 H THR 22 H THR 22 -8.236 8.520 -4.032 141 HA THR 22 HA THR 22 -8.996 5.692 -4.341 142 HB THR 22 HB THR 22 -8.878 5.891 -6.761 143 HG1 THR 22 1HG THR 22 -8.745 8.696 -6.606 144 HG21 THR 22 1HG2 THR 22 -10.763 7.710 -7.012 145 HG22 THR 22 2HG2 THR 22 -10.732 7.673 -5.249 146 HG23 THR 22 3HG2 THR 22 -11.076 6.201 -6.157 147 H SER 23 H SER 23 -6.624 7.468 -3.304 148 HA SER 23 HA SER 23 -4.572 5.659 -4.307 149 HB2 SER 23 1HB SER 23 -4.521 8.647 -4.659 150 HB3 SER 23 2HB SER 23 -3.024 7.722 -4.548 151 HG SER 23 HG SER 23 -4.921 6.729 -6.299 152 H VAL 24 H VAL 24 -2.464 6.030 -3.087 153 HA VAL 24 HA VAL 24 -2.706 7.268 -0.487 154 HB VAL 24 HB VAL 24 -2.166 4.305 -0.552 155 HG11 VAL 24 1HG1 VAL 24 -3.184 5.202 1.919 156 HG12 VAL 24 2HG1 VAL 24 -1.550 4.645 1.553 157 HG13 VAL 24 3HG1 VAL 24 -1.949 6.358 1.423 158 HG21 VAL 24 1HG2 VAL 24 -4.443 3.983 0.309 159 HG22 VAL 24 2HG2 VAL 24 -4.772 5.698 0.065 160 HG23 VAL 24 3HG2 VAL 24 -4.448 4.656 -1.321 161 H THR 25 H THR 25 -0.728 7.571 0.541 162 HA THR 25 HA THR 25 1.630 6.867 -1.083 163 HB THR 25 HB THR 25 1.287 9.254 0.743 164 HG1 THR 25 1HG THR 25 1.381 9.077 -2.103 165 HG21 THR 25 1HG2 THR 25 3.528 9.232 0.763 166 HG22 THR 25 2HG2 THR 25 3.430 9.716 -0.930 167 HG23 THR 25 3HG2 THR 25 3.610 8.014 -0.508 168 H LEU 26 H LEU 26 2.833 5.342 -0.175 169 HA LEU 26 HA LEU 26 2.938 5.184 2.763 170 HB2 LEU 26 1HB LEU 26 2.058 3.235 1.333 171 HB3 LEU 26 2HB LEU 26 3.746 2.982 0.895 172 HG LEU 26 HG LEU 26 4.172 2.824 3.424 173 HD11 LEU 26 1HD1 LEU 26 1.840 3.721 3.925 174 HD12 LEU 26 2HD1 LEU 26 2.381 2.318 4.846 175 HD13 LEU 26 3HD1 LEU 26 1.257 2.111 3.503 176 HD21 LEU 26 1HD2 LEU 26 4.382 0.907 2.013 177 HD22 LEU 26 2HD2 LEU 26 2.630 0.730 1.899 178 HD23 LEU 26 3HD2 LEU 26 3.449 0.434 3.433 179 H THR 27 H THR 27 4.921 4.922 3.801 180 HA THR 27 HA THR 27 7.320 5.300 2.140 181 HB THR 27 HB THR 27 8.242 6.863 3.779 182 HG1 THR 27 1HG THR 27 6.528 5.912 5.413 183 HG21 THR 27 1HG2 THR 27 6.207 7.400 1.949 184 HG22 THR 27 2HG2 THR 27 7.327 8.563 2.658 185 HG23 THR 27 3HG2 THR 27 5.754 8.288 3.403 186 H TRP 28 H TRP 28 9.276 4.507 3.032 187 HA TRP 28 HA TRP 28 9.344 3.165 5.553 188 HB2 TRP 28 1HB TRP 28 9.596 0.887 4.756 189 HB3 TRP 28 2HB TRP 28 8.049 1.528 4.210 190 HD1 TRP 28 HD TRP 28 11.434 0.353 2.907 191 HE1 TRP 28 1HE TRP 28 11.293 0.086 0.351 192 HE3 TRP 28 3HE TRP 28 6.829 2.432 2.127 193 HZ2 TRP 28 2HZ TRP 28 9.470 0.678 -1.722 194 HZ3 TRP 28 3HZ TRP 28 5.960 2.544 -0.173 195 HH2 TRP 28 HH TRP 28 7.255 1.685 -2.056 196 H ASP 29 H ASP 29 11.437 1.716 5.608 197 HA ASP 29 HA ASP 29 13.551 3.212 4.200 198 HB2 ASP 29 1HB ASP 29 13.391 3.499 6.721 199 HB3 ASP 29 2HB ASP 29 13.869 1.809 6.853 200 H SER 30 H SER 30 15.460 2.044 3.609 201 HA SER 30 HA SER 30 15.067 -0.280 2.221 202 HB2 SER 30 1HB SER 30 17.656 0.561 3.547 203 HB3 SER 30 2HB SER 30 17.501 -0.551 2.187 204 HG SER 30 HG SER 30 16.281 1.457 1.293 205 H GLY 31 H GLY 31 16.414 -0.010 5.509 206 HA2 GLY 31 1HA GLY 31 16.170 -1.485 7.285 207 HA3 GLY 31 2HA GLY 31 15.232 -2.541 6.239 208 H ASN 32 H ASN 32 17.151 -2.830 4.167 209 HA ASN 32 HA ASN 32 18.926 -4.729 5.477 210 HB2 ASN 32 1HB ASN 32 18.092 -4.261 2.625 211 HB3 ASN 32 2HB ASN 32 19.473 -5.286 3.007 212 HD21 ASN 32 1HD2 ASN 32 16.024 -4.860 3.456 213 HD22 ASN 32 2HD2 ASN 32 15.673 -6.516 3.800 214 H SER 33 H SER 33 21.195 -4.864 4.887 215 HA SER 33 HA SER 33 22.365 -2.192 4.616 216 HB2 SER 33 1HB SER 33 23.487 -4.803 5.644 217 HB3 SER 33 2HB SER 33 24.466 -3.353 5.417 218 HG SER 33 HG SER 33 22.929 -3.987 7.484 219 H GLU 34 H GLU 34 21.693 -4.861 2.742 220 HA GLU 34 HA GLU 34 23.995 -4.417 0.970 221 HB2 GLU 34 1HB GLU 34 22.162 -6.731 1.434 222 HB3 GLU 34 2HB GLU 34 22.908 -6.549 -0.148 223 HG2 GLU 34 1HG GLU 34 24.495 -6.565 2.400 224 HG3 GLU 34 2HG GLU 34 24.105 -8.032 1.503 225 HA PRO 35 HA PRO 35 21.578 -2.453 -2.119 226 HB2 PRO 35 1HB PRO 35 22.690 -3.425 -4.397 227 HB3 PRO 35 2HB PRO 35 23.507 -2.258 -3.351 228 HG2 PRO 35 1HG PRO 35 23.860 -5.226 -3.515 229 HG3 PRO 35 2HG PRO 35 25.092 -3.959 -3.376 230 HD2 PRO 35 1HD PRO 35 24.265 -5.425 -1.255 231 HD3 PRO 35 2HD PRO 35 24.787 -3.735 -1.103 232 H VAL 36 H VAL 36 19.505 -3.270 -1.908 233 HA VAL 36 HA VAL 36 18.787 -5.863 -2.922 234 HB VAL 36 HB VAL 36 16.922 -3.624 -2.138 235 HG11 VAL 36 1HG1 VAL 36 15.667 -5.898 -1.456 236 HG12 VAL 36 2HG1 VAL 36 15.491 -5.128 -3.035 237 HG13 VAL 36 3HG1 VAL 36 16.609 -6.477 -2.830 238 HG21 VAL 36 1HG2 VAL 36 18.570 -4.153 -0.353 239 HG22 VAL 36 2HG2 VAL 36 16.902 -4.513 0.094 240 HG23 VAL 36 3HG2 VAL 36 17.992 -5.819 -0.370 241 H THR 37 H THR 37 17.308 -6.266 -4.643 242 HA THR 37 HA THR 37 17.829 -4.680 -6.964 243 HB THR 37 HB THR 37 15.888 -6.976 -6.631 244 HG1 THR 37 1HG THR 37 17.803 -7.983 -7.836 245 HG21 THR 37 1HG2 THR 37 16.039 -7.187 -9.055 246 HG22 THR 37 2HG2 THR 37 17.121 -5.795 -9.123 247 HG23 THR 37 3HG2 THR 37 15.446 -5.587 -8.612 248 H TYR 38 H TYR 38 14.883 -5.424 -5.107 249 HA TYR 38 HA TYR 38 13.814 -2.817 -5.495 250 HB2 TYR 38 1HB TYR 38 12.048 -3.222 -6.998 251 HB3 TYR 38 2HB TYR 38 13.444 -3.989 -7.748 252 HD1 TYR 38 2HD TYR 38 13.692 -6.482 -7.601 253 HD2 TYR 38 1HD TYR 38 10.135 -4.481 -6.399 254 HE1 TYR 38 2HE TYR 38 12.459 -8.606 -7.734 255 HE2 TYR 38 1HE TYR 38 8.892 -6.600 -6.527 256 HH TYR 38 HH TYR 38 10.092 -9.443 -6.428 257 H TYR 39 H TYR 39 11.435 -2.773 -4.749 258 HA TYR 39 HA TYR 39 11.030 -4.791 -2.642 259 HB2 TYR 39 1HB TYR 39 10.645 -1.799 -2.444 260 HB3 TYR 39 2HB TYR 39 10.079 -2.947 -1.235 261 HD1 TYR 39 1HD TYR 39 13.251 -2.232 -3.093 262 HD2 TYR 39 2HD TYR 39 11.410 -3.173 0.626 263 HE1 TYR 39 1HE TYR 39 15.447 -2.143 -1.989 264 HE2 TYR 39 2HE TYR 39 13.601 -3.085 1.740 265 HH TYR 39 HH TYR 39 16.562 -2.360 -0.086 266 H GLY 40 H GLY 40 9.224 -5.887 -2.996 267 HA2 GLY 40 1HA GLY 40 7.207 -4.943 -4.805 268 HA3 GLY 40 2HA GLY 40 7.170 -6.445 -3.893 269 H ILE 41 H ILE 41 4.862 -5.056 -4.198 270 HA ILE 41 HA ILE 41 4.315 -4.242 -1.446 271 HB ILE 41 HB ILE 41 3.464 -2.590 -3.828 272 HG12 ILE 41 1HG1 ILE 41 5.386 -1.959 -1.577 273 HG13 ILE 41 2HG1 ILE 41 5.834 -2.281 -3.248 274 HG21 ILE 41 1HG2 ILE 41 3.074 -1.362 -1.258 275 HG22 ILE 41 2HG2 ILE 41 1.907 -1.664 -2.544 276 HG23 ILE 41 3HG2 ILE 41 2.231 -2.909 -1.338 277 HD11 ILE 41 1HD1 ILE 41 4.465 0.106 -2.090 278 HD12 ILE 41 2HD1 ILE 41 5.899 0.022 -3.114 279 HD13 ILE 41 3HD1 ILE 41 4.305 -0.284 -3.802 280 H GLN 42 H GLN 42 2.375 -4.919 -0.705 281 HA GLN 42 HA GLN 42 0.435 -5.958 -2.653 282 HB2 GLN 42 1HB GLN 42 1.497 -7.335 -0.192 283 HB3 GLN 42 2HB GLN 42 -0.025 -7.798 -0.942 284 HG2 GLN 42 1HG GLN 42 1.377 -9.275 -1.948 285 HG3 GLN 42 2HG GLN 42 1.461 -7.945 -3.102 286 HE21 GLN 42 1HE2 GLN 42 3.281 -10.160 -1.663 287 HE22 GLN 42 2HE2 GLN 42 4.792 -9.329 -1.565 288 H TYR 43 H TYR 43 -1.679 -5.563 -2.209 289 HA TYR 43 HA TYR 43 -2.482 -4.642 0.423 290 HB2 TYR 43 1HB TYR 43 -3.487 -2.557 -0.457 291 HB3 TYR 43 2HB TYR 43 -1.733 -2.566 -0.594 292 HD1 TYR 43 1HD TYR 43 -0.660 -2.804 -2.794 293 HD2 TYR 43 2HD TYR 43 -4.890 -2.542 -2.410 294 HE1 TYR 43 1HE TYR 43 -0.842 -2.308 -5.196 295 HE2 TYR 43 2HE TYR 43 -5.083 -2.047 -4.811 296 HH TYR 43 HH TYR 43 -2.285 -2.168 -6.943 297 H ARG 44 H ARG 44 -4.739 -4.679 0.752 298 HA ARG 44 HA ARG 44 -6.515 -5.438 -1.384 299 HB2 ARG 44 1HB ARG 44 -5.726 -7.627 -1.041 300 HB3 ARG 44 2HB ARG 44 -5.643 -7.418 0.703 301 HG2 ARG 44 1HG ARG 44 -7.483 -8.813 0.342 302 HG3 ARG 44 2HG ARG 44 -8.175 -7.217 0.644 303 HD2 ARG 44 1HD ARG 44 -8.011 -7.025 -1.978 304 HD3 ARG 44 2HD ARG 44 -8.030 -8.785 -1.884 305 HE ARG 44 HE ARG 44 -10.119 -7.733 -0.315 306 HH11 ARG 44 2HH1 ARG 44 -9.181 -8.155 -3.641 307 HH12 ARG 44 1HH1 ARG 44 -10.810 -8.223 -4.228 308 HH21 ARG 44 2HH2 ARG 44 -12.267 -7.822 -1.075 309 HH22 ARG 44 1HH2 ARG 44 -12.564 -8.033 -2.768 310 H ALA 45 H ALA 45 -8.658 -5.102 -0.880 311 HA ALA 45 HA ALA 45 -9.287 -3.272 1.115 312 HB1 ALA 45 1HB ALA 45 -11.328 -3.246 0.185 313 HB2 ALA 45 2HB ALA 45 -10.598 -4.289 -1.036 314 HB3 ALA 45 3HB ALA 45 -11.512 -4.997 0.295 315 H ALA 46 H ALA 46 -9.075 -3.606 3.232 316 HA ALA 46 HA ALA 46 -8.855 -5.893 4.655 317 HB1 ALA 46 1HB ALA 46 -8.518 -3.839 5.771 318 HB2 ALA 46 2HB ALA 46 -10.172 -3.312 5.459 319 HB3 ALA 46 3HB ALA 46 -9.865 -4.626 6.595 320 H GLY 47 H GLY 47 -10.168 -7.405 5.619 321 HA2 GLY 47 1HA GLY 47 -12.329 -8.177 6.355 322 HA3 GLY 47 2HA GLY 47 -13.059 -7.204 5.087 323 H THR 48 H THR 48 -12.728 -7.892 2.858 324 HA THR 48 HA THR 48 -13.450 -10.486 2.362 325 HB THR 48 HB THR 48 -11.778 -8.817 0.476 326 HG1 THR 48 1HG THR 48 -14.432 -8.611 1.326 327 HG21 THR 48 1HG2 THR 48 -12.180 -11.233 -0.105 328 HG22 THR 48 2HG2 THR 48 -12.802 -10.072 -1.278 329 HG23 THR 48 3HG2 THR 48 -13.903 -10.863 -0.150 330 H GLU 49 H GLU 49 -12.459 -12.414 2.114 331 HA GLU 49 HA GLU 49 -9.580 -12.505 2.672 332 HB2 GLU 49 1HB GLU 49 -11.517 -14.817 2.731 333 HB3 GLU 49 2HB GLU 49 -9.901 -14.754 3.418 334 HG2 GLU 49 1HG GLU 49 -10.659 -13.085 5.038 335 HG3 GLU 49 2HG GLU 49 -12.283 -13.173 4.357 336 H GLY 50 H GLY 50 -9.306 -11.808 0.364 337 HA2 GLY 50 1HA GLY 50 -9.315 -14.192 -1.382 338 HA3 GLY 50 2HA GLY 50 -9.728 -12.595 -1.988 339 HA PRO 51 HA PRO 51 -5.205 -13.370 -2.739 340 HB2 PRO 51 1HB PRO 51 -5.262 -12.636 -5.353 341 HB3 PRO 51 2HB PRO 51 -5.605 -14.283 -4.810 342 HG2 PRO 51 1HG PRO 51 -7.511 -12.097 -5.550 343 HG3 PRO 51 2HG PRO 51 -7.568 -13.820 -5.966 344 HD2 PRO 51 1HD PRO 51 -9.063 -12.751 -3.977 345 HD3 PRO 51 2HD PRO 51 -8.444 -14.414 -3.918 346 H PHE 52 H PHE 52 -3.996 -11.753 -1.996 347 HA PHE 52 HA PHE 52 -4.820 -9.020 -2.150 348 HB2 PHE 52 1HB PHE 52 -2.374 -10.416 -1.095 349 HB3 PHE 52 2HB PHE 52 -2.449 -8.659 -1.178 350 HD1 PHE 52 2HD PHE 52 -4.918 -11.280 -0.197 351 HD2 PHE 52 1HD PHE 52 -2.765 -7.780 0.914 352 HE1 PHE 52 2HE PHE 52 -6.110 -11.234 1.955 353 HE2 PHE 52 1HE PHE 52 -3.953 -7.729 3.068 354 HZ PHE 52 HZ PHE 52 -5.629 -9.457 3.590 355 H GLN 53 H GLN 53 -3.859 -7.320 -3.274 356 HA GLN 53 HA GLN 53 -2.975 -7.922 -5.893 357 HB2 GLN 53 1HB GLN 53 -3.022 -5.349 -4.318 358 HB3 GLN 53 2HB GLN 53 -2.514 -5.434 -6.000 359 HG2 GLN 53 1HG GLN 53 -5.204 -6.363 -5.036 360 HG3 GLN 53 2HG GLN 53 -4.885 -4.730 -5.619 361 HE21 GLN 53 1HE2 GLN 53 -5.135 -4.366 -7.708 362 HE22 GLN 53 2HE2 GLN 53 -5.226 -5.571 -8.942 363 H GLU 54 H GLU 54 -0.947 -7.202 -6.875 364 HA GLU 54 HA GLU 54 1.327 -7.120 -5.025 365 HB2 GLU 54 1HB GLU 54 1.244 -9.423 -5.640 366 HB3 GLU 54 2HB GLU 54 0.970 -9.029 -7.332 367 HG2 GLU 54 1HG GLU 54 3.473 -8.083 -6.038 368 HG3 GLU 54 2HG GLU 54 3.327 -9.787 -6.466 369 H VAL 55 H VAL 55 2.972 -5.809 -5.645 370 HA VAL 55 HA VAL 55 2.981 -4.747 -8.376 371 HB VAL 55 HB VAL 55 3.059 -3.000 -5.912 372 HG11 VAL 55 1HG1 VAL 55 3.167 -2.252 -8.833 373 HG12 VAL 55 2HG1 VAL 55 3.147 -1.131 -7.469 374 HG13 VAL 55 3HG1 VAL 55 4.525 -2.205 -7.709 375 HG21 VAL 55 1HG2 VAL 55 0.976 -2.031 -7.095 376 HG22 VAL 55 2HG2 VAL 55 0.931 -3.578 -7.941 377 HG23 VAL 55 3HG2 VAL 55 0.811 -3.531 -6.182 378 H ASP 56 H ASP 56 4.955 -4.898 -9.193 379 HA ASP 56 HA ASP 56 7.257 -4.730 -7.361 380 HB2 ASP 56 1HB ASP 56 7.021 -6.455 -9.836 381 HB3 ASP 56 2HB ASP 56 8.433 -6.339 -8.789 382 H GLY 57 H GLY 57 9.238 -3.909 -8.299 383 HA2 GLY 57 1HA GLY 57 10.380 -2.850 -10.151 384 HA3 GLY 57 2HA GLY 57 8.817 -2.290 -10.728 385 H VAL 58 H VAL 58 9.587 -2.121 -7.347 386 HA VAL 58 HA VAL 58 9.619 0.808 -7.555 387 HB VAL 58 HB VAL 58 9.187 -0.880 -5.088 388 HG11 VAL 58 1HG1 VAL 58 8.093 1.413 -4.423 389 HG12 VAL 58 2HG1 VAL 58 9.832 1.162 -4.260 390 HG13 VAL 58 3HG1 VAL 58 9.194 2.048 -5.645 391 HG21 VAL 58 1HG2 VAL 58 7.157 -1.299 -5.902 392 HG22 VAL 58 2HG2 VAL 58 6.815 0.421 -5.721 393 HG23 VAL 58 3HG2 VAL 58 7.401 -0.204 -7.262 394 H ALA 59 H ALA 59 11.802 1.084 -8.087 395 HA ALA 59 HA ALA 59 13.850 0.006 -6.341 396 HB1 ALA 59 1HB ALA 59 14.541 2.048 -8.367 397 HB2 ALA 59 2HB ALA 59 15.341 0.527 -7.966 398 HB3 ALA 59 3HB ALA 59 13.885 0.522 -8.961 399 H THR 60 H THR 60 11.934 1.804 -5.146 400 HA THR 60 HA THR 60 13.815 3.810 -4.136 401 HB THR 60 HB THR 60 11.778 5.411 -4.018 402 HG1 THR 60 1HG THR 60 10.118 4.971 -5.326 403 HG21 THR 60 1HG2 THR 60 12.261 6.246 -6.319 404 HG22 THR 60 2HG2 THR 60 13.197 4.779 -6.607 405 HG23 THR 60 3HG2 THR 60 13.706 5.921 -5.364 406 H THR 61 H THR 61 13.079 4.780 -2.073 407 HA THR 61 HA THR 61 11.913 2.714 -0.391 408 HB THR 61 HB THR 61 12.607 4.139 1.498 409 HG1 THR 61 1HG THR 61 13.024 5.949 -0.579 410 HG21 THR 61 1HG2 THR 61 14.186 2.583 0.022 411 HG22 THR 61 2HG2 THR 61 14.799 3.509 1.393 412 HG23 THR 61 3HG2 THR 61 15.010 4.118 -0.248 413 H ARG 62 H ARG 62 10.402 4.615 -2.293 414 HA ARG 62 HA ARG 62 8.168 5.027 -0.508 415 HB2 ARG 62 1HB ARG 62 9.653 7.112 -0.391 416 HB3 ARG 62 2HB ARG 62 9.162 7.413 -2.052 417 HG2 ARG 62 1HG ARG 62 6.869 7.622 -1.408 418 HG3 ARG 62 2HG ARG 62 7.238 7.106 0.239 419 HD2 ARG 62 1HD ARG 62 8.163 9.635 -1.117 420 HD3 ARG 62 2HD ARG 62 6.975 9.506 0.179 421 HE ARG 62 HE ARG 62 9.207 8.381 1.237 422 HH11 ARG 62 2HH1 ARG 62 8.523 11.435 -0.287 423 HH12 ARG 62 1HH1 ARG 62 9.723 12.302 0.613 424 HH21 ARG 62 2HH2 ARG 62 10.791 9.511 2.428 425 HH22 ARG 62 1HH2 ARG 62 11.014 11.206 2.156 426 H TYR 63 H TYR 63 6.258 4.824 -1.547 427 HA TYR 63 HA TYR 63 6.025 5.295 -4.386 428 HB2 TYR 63 1HB TYR 63 6.931 3.065 -4.472 429 HB3 TYR 63 2HB TYR 63 5.801 2.505 -3.244 430 HD1 TYR 63 2HD TYR 63 3.476 2.059 -3.801 431 HD2 TYR 63 1HD TYR 63 6.213 3.404 -6.768 432 HE1 TYR 63 2HE TYR 63 1.885 1.402 -5.558 433 HE2 TYR 63 1HE TYR 63 4.629 2.752 -8.533 434 HH TYR 63 HH TYR 63 1.956 2.457 -8.589 435 H SER 64 H SER 64 3.911 5.551 -5.060 436 HA SER 64 HA SER 64 1.914 5.566 -2.900 437 HB2 SER 64 1HB SER 64 0.728 7.268 -4.210 438 HB3 SER 64 2HB SER 64 2.391 7.767 -3.902 439 HG SER 64 HG SER 64 1.504 6.514 -6.289 440 H ILE 65 H ILE 65 0.048 4.451 -3.088 441 HA ILE 65 HA ILE 65 -0.200 2.673 -5.398 442 HB ILE 65 HB ILE 65 -1.678 2.613 -2.764 443 HG12 ILE 65 1HG1 ILE 65 -0.184 0.400 -2.708 444 HG13 ILE 65 2HG1 ILE 65 0.861 1.387 -3.724 445 HG21 ILE 65 1HG2 ILE 65 -2.383 0.371 -3.461 446 HG22 ILE 65 2HG2 ILE 65 -2.965 1.614 -4.567 447 HG23 ILE 65 3HG2 ILE 65 -1.587 0.610 -5.016 448 HD11 ILE 65 1HD1 ILE 65 1.639 2.438 -1.946 449 HD12 ILE 65 2HD1 ILE 65 0.009 2.925 -1.478 450 HD13 ILE 65 3HD1 ILE 65 0.661 1.383 -0.926 451 H GLY 66 H GLY 66 -2.038 2.545 -6.663 452 HA2 GLY 66 1HA GLY 66 -4.164 4.512 -6.151 453 HA3 GLY 66 2HA GLY 66 -3.351 4.515 -7.709 454 H GLY 67 H GLY 67 -6.163 4.087 -7.181 455 HA2 GLY 67 1HA GLY 67 -7.538 2.738 -8.627 456 HA3 GLY 67 2HA GLY 67 -6.395 1.421 -8.412 457 H LEU 68 H LEU 68 -7.445 3.341 -5.706 458 HA LEU 68 HA LEU 68 -8.901 0.997 -4.687 459 HB2 LEU 68 1HB LEU 68 -7.768 3.297 -3.107 460 HB3 LEU 68 2HB LEU 68 -8.435 1.795 -2.470 461 HG LEU 68 HG LEU 68 -5.947 1.909 -4.165 462 HD11 LEU 68 1HD1 LEU 68 -5.260 3.110 -2.314 463 HD12 LEU 68 2HD1 LEU 68 -4.871 1.453 -1.851 464 HD13 LEU 68 3HD1 LEU 68 -6.323 2.229 -1.217 465 HD21 LEU 68 1HD2 LEU 68 -7.576 -0.196 -3.055 466 HD22 LEU 68 2HD2 LEU 68 -5.928 -0.273 -2.431 467 HD23 LEU 68 3HD2 LEU 68 -6.215 -0.297 -4.172 468 H SER 69 H SER 69 -10.685 1.568 -3.107 469 HA SER 69 HA SER 69 -12.408 3.546 -4.382 470 HB2 SER 69 1HB SER 69 -12.903 1.265 -2.479 471 HB3 SER 69 2HB SER 69 -14.139 2.486 -2.785 472 HG SER 69 HG SER 69 -14.574 1.462 -4.553 473 HA PRO 70 HA PRO 70 -12.037 6.568 -1.217 474 HB2 PRO 70 1HB PRO 70 -14.499 7.706 -1.335 475 HB3 PRO 70 2HB PRO 70 -13.267 7.951 -2.578 476 HG2 PRO 70 1HG PRO 70 -15.610 6.088 -2.574 477 HG3 PRO 70 2HG PRO 70 -15.000 7.116 -3.884 478 HD2 PRO 70 1HD PRO 70 -14.475 4.463 -3.751 479 HD3 PRO 70 2HD PRO 70 -13.331 5.629 -4.444 480 H PHE 71 H PHE 71 -12.452 6.877 0.938 481 HA PHE 71 HA PHE 71 -13.078 6.316 3.053 482 HB2 PHE 71 1HB PHE 71 -15.265 7.231 1.893 483 HB3 PHE 71 2HB PHE 71 -15.803 5.565 2.081 484 HD1 PHE 71 2HD PHE 71 -13.922 7.985 4.216 485 HD2 PHE 71 1HD PHE 71 -17.203 5.296 3.868 486 HE1 PHE 71 2HE PHE 71 -14.551 8.456 6.547 487 HE2 PHE 71 1HE PHE 71 -17.838 5.763 6.199 488 HZ PHE 71 HZ PHE 71 -16.510 7.344 7.542 489 H SER 72 H SER 72 -11.738 4.295 1.847 490 HA SER 72 HA SER 72 -13.119 1.911 2.883 491 HB2 SER 72 1HB SER 72 -12.221 0.566 1.073 492 HB3 SER 72 2HB SER 72 -13.120 1.921 0.390 493 HG SER 72 HG SER 72 -10.946 2.978 0.343 494 H GLU 73 H GLU 73 -11.721 0.225 3.658 495 HA GLU 73 HA GLU 73 -9.151 1.284 4.617 496 HB2 GLU 73 1HB GLU 73 -11.100 0.397 6.162 497 HB3 GLU 73 2HB GLU 73 -10.409 -1.171 5.766 498 HG2 GLU 73 1HG GLU 73 -8.462 -0.757 6.898 499 HG3 GLU 73 2HG GLU 73 -8.606 0.991 6.727 500 H TYR 74 H TYR 74 -7.271 0.283 4.156 501 HA TYR 74 HA TYR 74 -7.329 -2.374 2.931 502 HB2 TYR 74 1HB TYR 74 -6.311 0.141 1.659 503 HB3 TYR 74 2HB TYR 74 -5.538 -1.395 1.288 504 HD1 TYR 74 1HD TYR 74 -8.880 0.254 1.333 505 HD2 TYR 74 2HD TYR 74 -6.412 -2.754 -0.387 506 HE1 TYR 74 1HE TYR 74 -10.623 -0.211 -0.338 507 HE2 TYR 74 2HE TYR 74 -8.148 -3.227 -2.064 508 HH TYR 74 HH TYR 74 -10.250 -1.560 -3.058 509 H ALA 75 H ALA 75 -5.389 -3.540 3.110 510 HA ALA 75 HA ALA 75 -3.559 -2.479 5.152 511 HB1 ALA 75 1HB ALA 75 -2.928 -4.925 5.417 512 HB2 ALA 75 2HB ALA 75 -4.546 -4.462 5.945 513 HB3 ALA 75 3HB ALA 75 -4.324 -5.286 4.402 514 H PHE 76 H PHE 76 -1.759 -1.647 4.323 515 HA PHE 76 HA PHE 76 -0.668 -2.737 1.839 516 HB2 PHE 76 1HB PHE 76 0.124 -0.263 3.390 517 HB3 PHE 76 2HB PHE 76 0.751 -0.732 1.813 518 HD1 PHE 76 1HD PHE 76 -0.694 -0.642 -0.171 519 HD2 PHE 76 2HD PHE 76 -2.006 0.772 3.623 520 HE1 PHE 76 1HE PHE 76 -2.524 0.587 -1.266 521 HE2 PHE 76 2HE PHE 76 -3.839 2.001 2.535 522 HZ PHE 76 HZ PHE 76 -4.100 1.909 0.088 523 H ARG 77 H ARG 77 1.431 -3.510 1.650 524 HA ARG 77 HA ARG 77 3.138 -3.670 3.981 525 HB2 ARG 77 1HB ARG 77 3.291 -6.117 3.959 526 HB3 ARG 77 2HB ARG 77 1.657 -5.583 4.330 527 HG2 ARG 77 1HG ARG 77 0.995 -6.027 2.012 528 HG3 ARG 77 2HG ARG 77 2.630 -6.594 1.667 529 HD2 ARG 77 1HD ARG 77 2.148 -8.160 3.734 530 HD3 ARG 77 2HD ARG 77 0.472 -7.864 3.275 531 HE ARG 77 HE ARG 77 2.214 -8.705 1.124 532 HH11 ARG 77 2HH1 ARG 77 -0.028 -9.668 3.607 533 HH12 ARG 77 1HH1 ARG 77 -0.417 -11.178 2.852 534 HH21 ARG 77 2HH2 ARG 77 1.710 -10.690 0.120 535 HH22 ARG 77 1HH2 ARG 77 0.573 -11.759 0.869 536 H VAL 78 H VAL 78 5.203 -3.541 3.377 537 HA VAL 78 HA VAL 78 5.840 -3.990 0.540 538 HB VAL 78 HB VAL 78 7.473 -2.426 2.539 539 HG11 VAL 78 1HG1 VAL 78 8.923 -2.900 0.825 540 HG12 VAL 78 2HG1 VAL 78 7.644 -2.952 -0.390 541 HG13 VAL 78 3HG1 VAL 78 8.205 -1.401 0.236 542 HG21 VAL 78 1HG2 VAL 78 5.713 -1.199 0.442 543 HG22 VAL 78 2HG2 VAL 78 5.101 -1.560 2.056 544 HG23 VAL 78 3HG2 VAL 78 6.449 -0.441 1.855 545 H LEU 79 H LEU 79 7.783 -5.057 -0.033 546 HA LEU 79 HA LEU 79 9.229 -6.474 2.062 547 HB2 LEU 79 1HB LEU 79 8.938 -8.640 1.027 548 HB3 LEU 79 2HB LEU 79 7.377 -7.957 1.478 549 HG LEU 79 HG LEU 79 8.331 -7.606 -1.322 550 HD11 LEU 79 1HD1 LEU 79 8.481 -10.091 -0.328 551 HD12 LEU 79 2HD1 LEU 79 8.001 -9.737 -1.988 552 HD13 LEU 79 3HD1 LEU 79 6.772 -10.047 -0.762 553 HD21 LEU 79 1HD2 LEU 79 6.258 -6.546 -0.473 554 HD22 LEU 79 2HD2 LEU 79 5.609 -8.153 -0.147 555 HD23 LEU 79 3HD2 LEU 79 5.975 -7.668 -1.804 556 H ALA 80 H ALA 80 11.332 -6.850 1.564 557 HA ALA 80 HA ALA 80 12.390 -5.570 -0.781 558 HB1 ALA 80 1HB ALA 80 13.658 -7.022 1.525 559 HB2 ALA 80 2HB ALA 80 14.593 -6.398 0.165 560 HB3 ALA 80 3HB ALA 80 13.666 -5.292 1.179 561 H VAL 81 H VAL 81 13.593 -6.536 -2.443 562 HA VAL 81 HA VAL 81 13.581 -9.448 -2.639 563 HB VAL 81 HB VAL 81 12.495 -7.789 -4.909 564 HG11 VAL 81 1HG1 VAL 81 13.067 -9.725 -5.925 565 HG12 VAL 81 2HG1 VAL 81 13.031 -10.652 -4.424 566 HG13 VAL 81 3HG1 VAL 81 11.527 -10.268 -5.261 567 HG21 VAL 81 1HG2 VAL 81 10.923 -7.529 -3.125 568 HG22 VAL 81 2HG2 VAL 81 10.265 -8.711 -4.256 569 HG23 VAL 81 3HG2 VAL 81 10.992 -9.249 -2.742 570 H ASN 82 H ASN 82 15.320 -10.243 -3.693 571 HA ASN 82 HA ASN 82 16.845 -8.578 -5.513 572 HB2 ASN 82 1HB ASN 82 18.835 -8.473 -4.301 573 HB3 ASN 82 2HB ASN 82 17.618 -8.186 -3.060 574 HD21 ASN 82 1HD2 ASN 82 17.306 -9.675 -1.462 575 HD22 ASN 82 2HD2 ASN 82 18.336 -11.042 -1.226 576 H SER 83 H SER 83 19.029 -9.955 -5.980 577 HA SER 83 HA SER 83 18.492 -11.981 -7.621 578 HB2 SER 83 1HB SER 83 20.834 -11.850 -5.711 579 HB3 SER 83 2HB SER 83 20.743 -12.958 -7.079 580 HG SER 83 HG SER 83 20.304 -10.864 -8.290 581 H ILE 84 H ILE 84 18.873 -12.364 -4.119 582 HA ILE 84 HA ILE 84 18.605 -15.144 -3.995 583 HB ILE 84 HB ILE 84 17.665 -13.163 -1.919 584 HG12 ILE 84 1HG1 ILE 84 20.047 -12.859 -2.711 585 HG13 ILE 84 2HG1 ILE 84 19.866 -13.204 -0.994 586 HG21 ILE 84 1HG2 ILE 84 18.465 -15.179 -0.452 587 HG22 ILE 84 2HG2 ILE 84 16.858 -15.180 -1.176 588 HG23 ILE 84 3HG2 ILE 84 18.163 -16.102 -1.924 589 HD11 ILE 84 1HD1 ILE 84 20.491 -15.511 -1.367 590 HD12 ILE 84 2HD1 ILE 84 20.603 -15.218 -3.103 591 HD13 ILE 84 3HD1 ILE 84 21.727 -14.424 -2.000 592 H GLY 85 H GLY 85 16.094 -12.679 -3.367 593 HA2 GLY 85 1HA GLY 85 14.053 -13.591 -4.885 594 HA3 GLY 85 2HA GLY 85 14.012 -14.681 -3.507 595 H ARG 86 H ARG 86 11.834 -13.750 -3.249 596 HA ARG 86 HA ARG 86 11.753 -11.023 -2.224 597 HB2 ARG 86 1HB ARG 86 9.499 -13.008 -2.568 598 HB3 ARG 86 2HB ARG 86 9.335 -11.293 -2.218 599 HG2 ARG 86 1HG ARG 86 9.791 -10.668 -4.358 600 HG3 ARG 86 2HG ARG 86 10.820 -12.068 -4.665 601 HD2 ARG 86 1HD ARG 86 7.912 -12.504 -4.198 602 HD3 ARG 86 2HD ARG 86 8.427 -11.852 -5.753 603 HE ARG 86 HE ARG 86 10.020 -14.062 -5.234 604 HH11 ARG 86 2HH1 ARG 86 6.648 -13.368 -5.755 605 HH12 ARG 86 1HH1 ARG 86 6.301 -14.918 -6.446 606 HH21 ARG 86 2HH2 ARG 86 9.576 -16.107 -6.142 607 HH22 ARG 86 1HH2 ARG 86 7.967 -16.476 -6.665 608 H GLY 87 H GLY 87 12.038 -10.614 -0.139 609 HA2 GLY 87 1HA GLY 87 12.065 -12.736 1.805 610 HA3 GLY 87 2HA GLY 87 12.378 -11.034 2.112 611 HA PRO 88 HA PRO 88 8.239 -12.257 3.913 612 HB2 PRO 88 1HB PRO 88 8.785 -11.423 6.438 613 HB3 PRO 88 2HB PRO 88 9.158 -13.052 5.862 614 HG2 PRO 88 1HG PRO 88 10.964 -10.680 6.132 615 HG3 PRO 88 2HG PRO 88 11.271 -12.374 6.556 616 HD2 PRO 88 1HD PRO 88 12.196 -11.253 4.271 617 HD3 PRO 88 2HD PRO 88 11.739 -12.965 4.377 618 HA PRO 89 HA PRO 89 6.782 -8.112 3.462 619 HB2 PRO 89 1HB PRO 89 4.321 -8.421 4.565 620 HB3 PRO 89 2HB PRO 89 4.742 -9.046 2.966 621 HG2 PRO 89 1HG PRO 89 4.616 -10.484 5.589 622 HG3 PRO 89 2HG PRO 89 4.040 -11.009 3.997 623 HD2 PRO 89 1HD PRO 89 6.380 -11.867 5.055 624 HD3 PRO 89 2HD PRO 89 6.143 -11.653 3.308 625 H SER 90 H SER 90 6.782 -6.256 4.626 626 HA SER 90 HA SER 90 7.657 -6.323 7.330 627 HB2 SER 90 1HB SER 90 8.439 -4.500 6.041 628 HB3 SER 90 2HB SER 90 6.817 -4.096 5.479 629 HG SER 90 HG SER 90 7.871 -2.827 7.297 630 H GLU 91 H GLU 91 6.495 -4.684 8.906 631 HA GLU 91 HA GLU 91 4.197 -5.887 9.846 632 HB2 GLU 91 1HB GLU 91 3.879 -3.894 11.238 633 HB3 GLU 91 2HB GLU 91 5.566 -4.390 11.207 634 HG2 GLU 91 1HG GLU 91 5.983 -2.653 9.481 635 HG3 GLU 91 2HG GLU 91 4.322 -2.105 9.698 636 H ALA 92 H ALA 92 2.251 -6.053 8.974 637 HA ALA 92 HA ALA 92 1.349 -4.590 6.762 638 HB1 ALA 92 1HB ALA 92 0.530 -6.843 7.528 639 HB2 ALA 92 2HB ALA 92 -0.431 -5.995 8.740 640 HB3 ALA 92 3HB ALA 92 -0.724 -5.710 7.025 641 H VAL 93 H VAL 93 0.444 -2.647 6.562 642 HA VAL 93 HA VAL 93 -0.514 -1.302 9.005 643 HB VAL 93 HB VAL 93 0.010 0.839 7.840 644 HG11 VAL 93 1HG1 VAL 93 1.975 0.838 8.892 645 HG12 VAL 93 2HG1 VAL 93 1.694 -0.875 9.210 646 HG13 VAL 93 3HG1 VAL 93 2.642 -0.381 7.806 647 HG21 VAL 93 1HG2 VAL 93 -0.044 0.032 5.544 648 HG22 VAL 93 2HG2 VAL 93 1.511 0.784 5.900 649 HG23 VAL 93 3HG2 VAL 93 1.373 -0.973 5.849 650 H ARG 94 H ARG 94 -2.553 -0.578 9.046 651 HA ARG 94 HA ARG 94 -4.147 -0.864 6.597 652 HB2 ARG 94 1HB ARG 94 -4.842 -0.942 9.521 653 HB3 ARG 94 2HB ARG 94 -6.080 -0.678 8.301 654 HG2 ARG 94 1HG ARG 94 -5.042 -2.836 7.231 655 HG3 ARG 94 2HG ARG 94 -4.474 -3.112 8.879 656 HD2 ARG 94 1HD ARG 94 -6.996 -2.514 9.442 657 HD3 ARG 94 2HD ARG 94 -7.238 -3.089 7.793 658 HE ARG 94 HE ARG 94 -7.040 -5.193 8.624 659 HH11 ARG 94 2HH1 ARG 94 -5.181 -3.052 10.643 660 HH12 ARG 94 1HH1 ARG 94 -4.674 -4.304 11.728 661 HH21 ARG 94 2HH2 ARG 94 -6.379 -6.850 10.045 662 HH22 ARG 94 1HH2 ARG 94 -5.355 -6.464 11.386 663 H ALA 95 H ALA 95 -4.443 0.958 5.506 664 HA ALA 95 HA ALA 95 -4.834 3.456 7.024 665 HB1 ALA 95 1HB ALA 95 -3.824 3.385 4.202 666 HB2 ALA 95 2HB ALA 95 -3.698 4.678 5.394 667 HB3 ALA 95 3HB ALA 95 -2.730 3.215 5.575 668 H ARG 96 H ARG 96 -6.776 4.347 6.840 669 HA ARG 96 HA ARG 96 -8.640 3.331 4.859 670 HB2 ARG 96 1HB ARG 96 -9.081 3.854 7.394 671 HB3 ARG 96 2HB ARG 96 -9.318 5.496 6.811 672 HG2 ARG 96 1HG ARG 96 -11.056 4.679 5.274 673 HG3 ARG 96 2HG ARG 96 -10.840 3.053 5.928 674 HD2 ARG 96 1HD ARG 96 -12.756 4.195 6.942 675 HD3 ARG 96 2HD ARG 96 -11.507 3.829 8.132 676 HE ARG 96 HE ARG 96 -10.996 6.393 7.257 677 HH11 ARG 96 2HH1 ARG 96 -13.617 4.718 8.821 678 HH12 ARG 96 1HH1 ARG 96 -14.175 6.118 9.675 679 HH21 ARG 96 2HH2 ARG 96 -11.721 8.243 8.376 680 HH22 ARG 96 1HH2 ARG 96 -13.096 8.123 9.421 681 H THR 97 H THR 97 -8.829 4.246 2.935 682 HA THR 97 HA THR 97 -7.620 6.679 2.208 683 HB THR 97 HB THR 97 -8.683 6.443 0.071 684 HG1 THR 97 1HG THR 97 -10.383 4.897 -0.204 685 HG21 THR 97 1HG2 THR 97 -7.318 4.288 1.355 686 HG22 THR 97 2HG2 THR 97 -7.291 4.755 -0.345 687 HG23 THR 97 3HG2 THR 97 -8.509 3.623 0.239 688 H GLY 98 H GLY 98 -8.638 8.642 1.455 689 HA2 GLY 98 1HA GLY 98 -10.654 9.562 3.285 690 HA3 GLY 98 2HA GLY 98 -9.884 10.506 2.018 691 H GLU 99 H GLU 99 -12.434 11.034 2.309 692 HA GLU 99 HA GLU 99 -13.861 9.430 0.295 693 HB2 GLU 99 1HB GLU 99 -15.917 10.567 1.261 694 HB3 GLU 99 2HB GLU 99 -15.110 9.401 2.300 695 HG2 GLU 99 1HG GLU 99 -14.078 11.159 3.566 696 HG3 GLU 99 2HG GLU 99 -14.707 12.378 2.459 697 H GLN 100 H GLN 100 -14.972 10.460 -1.383 698 HA GLN 100 HA GLN 100 -14.746 13.334 -1.688 699 HB2 GLN 100 1HB GLN 100 -12.639 12.027 -2.618 700 HB3 GLN 100 2HB GLN 100 -13.707 11.735 -3.983 701 HG2 GLN 100 1HG GLN 100 -13.373 14.510 -2.950 702 HG3 GLN 100 2HG GLN 100 -12.119 13.796 -3.962 703 HE21 GLN 100 1HE2 GLN 100 -13.832 16.049 -4.536 704 HE22 GLN 100 2HE2 GLN 100 -14.715 15.647 -5.965 705 H SER 101 H SER 101 -16.020 14.167 -3.446 706 HA SER 101 HA SER 101 -18.549 13.245 -3.669 707 HB2 SER 101 1HB SER 101 -17.635 15.415 -4.592 708 HB3 SER 101 2HB SER 101 -17.112 14.507 -6.011 709 HG SER 101 HG SER 101 -19.208 14.093 -6.526 710 H GLY 102 H GLY 102 -19.186 11.233 -4.110 711 HA2 GLY 102 1HA GLY 102 -18.724 10.141 -6.733 712 HA3 GLY 102 2HA GLY 102 -17.907 9.244 -5.461 713 HA PRO 103 HA PRO 103 -21.619 6.894 -5.103 714 HB2 PRO 103 1HB PRO 103 -21.063 5.672 -2.744 715 HB3 PRO 103 2HB PRO 103 -20.288 5.218 -4.267 716 HG2 PRO 103 1HG PRO 103 -19.256 6.960 -2.062 717 HG3 PRO 103 2HG PRO 103 -18.410 5.705 -2.986 718 HD2 PRO 103 1HD PRO 103 -18.129 8.345 -3.518 719 HD3 PRO 103 2HD PRO 103 -18.038 7.101 -4.782 720 H SER 104 H SER 104 -23.443 6.585 -3.627 721 HA SER 104 HA SER 104 -23.695 8.469 -1.428 722 HB2 SER 104 1HB SER 104 -24.430 9.907 -3.176 723 HB3 SER 104 2HB SER 104 -25.368 8.622 -3.937 724 HG SER 104 HG SER 104 -25.938 9.515 -1.320 725 H SER 105 H SER 105 -24.727 7.516 0.192 726 HA SER 105 HA SER 105 -25.960 4.947 -0.180 727 HB2 SER 105 1HB SER 105 -24.571 5.661 1.835 728 HB3 SER 105 2HB SER 105 -25.977 6.591 2.354 729 HG SER 105 HG SER 105 -25.932 4.492 3.276 730 H GLY 106 H GLY 106 -27.097 8.135 0.935 731 HA2 GLY 106 1HA GLY 106 -29.826 7.334 1.123 732 HA3 GLY 106 2HA GLY 106 -29.226 8.985 1.147 Start of MODEL 16 1 H1 GLY 1 H GLY 1 14.058 -16.126 19.811 2 HA2 GLY 1 1HA GLY 1 14.896 -18.489 20.985 3 HA3 GLY 1 2HA GLY 1 13.624 -18.938 19.859 4 H SER 2 H SER 2 14.879 -20.028 18.401 5 HA SER 2 HA SER 2 16.796 -18.376 16.896 6 HB2 SER 2 1HB SER 2 17.977 -20.040 18.326 7 HB3 SER 2 2HB SER 2 17.116 -21.329 17.483 8 HG SER 2 HG SER 2 18.425 -21.121 15.849 9 H SER 3 H SER 3 15.886 -18.001 14.987 10 HA SER 3 HA SER 3 14.860 -20.276 13.456 11 HB2 SER 3 1HB SER 3 12.914 -19.135 14.519 12 HB3 SER 3 2HB SER 3 13.371 -17.650 13.684 13 HG SER 3 HG SER 3 13.187 -19.818 12.025 14 H GLY 4 H GLY 4 15.341 -20.212 11.315 15 HA2 GLY 4 1HA GLY 4 17.099 -18.047 10.452 16 HA3 GLY 4 2HA GLY 4 16.873 -19.590 9.642 17 H SER 5 H SER 5 16.919 -17.266 8.191 18 HA SER 5 HA SER 5 14.104 -17.016 7.357 19 HB2 SER 5 1HB SER 5 14.548 -14.683 6.720 20 HB3 SER 5 2HB SER 5 14.848 -14.936 8.439 21 HG SER 5 HG SER 5 17.132 -15.356 7.577 22 H SER 6 H SER 6 14.121 -15.906 5.039 23 HA SER 6 HA SER 6 16.212 -17.139 3.389 24 HB2 SER 6 1HB SER 6 14.098 -18.575 3.541 25 HB3 SER 6 2HB SER 6 13.297 -17.298 2.626 26 HG SER 6 HG SER 6 14.033 -18.499 1.026 27 H GLY 7 H GLY 7 17.059 -15.702 2.041 28 HA2 GLY 7 1HA GLY 7 17.133 -14.015 0.447 29 HA3 GLY 7 2HA GLY 7 15.399 -13.801 0.637 30 HA PRO 8 HA PRO 8 17.393 -10.077 2.463 31 HB2 PRO 8 1HB PRO 8 15.524 -8.349 1.519 32 HB3 PRO 8 2HB PRO 8 16.920 -8.868 0.568 33 HG2 PRO 8 1HG PRO 8 14.095 -9.857 0.483 34 HG3 PRO 8 2HG PRO 8 15.197 -9.502 -0.860 35 HD2 PRO 8 1HD PRO 8 14.738 -12.021 0.020 36 HD3 PRO 8 2HD PRO 8 16.301 -11.514 -0.653 37 H LYS 9 H LYS 9 16.290 -8.334 3.829 38 HA LYS 9 HA LYS 9 14.325 -9.657 5.557 39 HB2 LYS 9 1HB LYS 9 16.364 -7.503 5.993 40 HB3 LYS 9 2HB LYS 9 14.994 -7.646 7.087 41 HG2 LYS 9 1HG LYS 9 15.660 -10.046 7.434 42 HG3 LYS 9 2HG LYS 9 17.142 -9.679 6.548 43 HD2 LYS 9 1HD LYS 9 16.249 -8.129 8.971 44 HD3 LYS 9 2HD LYS 9 17.295 -9.547 9.068 45 HE2 LYS 9 1HE LYS 9 18.924 -8.437 7.614 46 HE3 LYS 9 2HE LYS 9 17.877 -7.022 7.521 47 HZ1 LYS 9 1HZ LYS 9 19.847 -7.297 9.294 48 HZ2 LYS 9 2HZ LYS 9 18.553 -7.900 10.200 49 HZ3 LYS 9 3HZ LYS 9 18.479 -6.337 9.559 50 HA PRO 10 HA PRO 10 11.051 -6.923 4.524 51 HB2 PRO 10 1HB PRO 10 9.808 -6.621 6.918 52 HB3 PRO 10 2HB PRO 10 9.738 -8.119 5.981 53 HG2 PRO 10 1HG PRO 10 11.475 -7.427 8.319 54 HG3 PRO 10 2HG PRO 10 10.601 -8.932 7.981 55 HD2 PRO 10 1HD PRO 10 13.253 -8.652 7.516 56 HD3 PRO 10 2HD PRO 10 12.213 -9.688 6.517 57 HA PRO 11 HA PRO 11 12.360 -2.786 5.335 58 HB2 PRO 11 1HB PRO 11 10.107 -1.474 4.576 59 HB3 PRO 11 2HB PRO 11 11.224 -2.212 3.422 60 HG2 PRO 11 1HG PRO 11 8.633 -3.265 4.488 61 HG3 PRO 11 2HG PRO 11 9.253 -3.294 2.827 62 HD2 PRO 11 1HD PRO 11 9.369 -5.448 4.463 63 HD3 PRO 11 2HD PRO 11 10.602 -5.119 3.229 64 H ILE 12 H ILE 12 11.965 -0.992 6.723 65 HA ILE 12 HA ILE 12 10.006 -1.519 8.861 66 HB ILE 12 HB ILE 12 11.559 -0.483 10.460 67 HG12 ILE 12 1HG1 ILE 12 13.559 -0.556 8.191 68 HG13 ILE 12 2HG1 ILE 12 12.788 0.904 8.801 69 HG21 ILE 12 1HG2 ILE 12 11.914 -3.014 9.135 70 HG22 ILE 12 2HG2 ILE 12 13.447 -2.419 9.771 71 HG23 ILE 12 3HG2 ILE 12 12.062 -2.613 10.846 72 HD11 ILE 12 1HD1 ILE 12 13.869 -0.283 11.054 73 HD12 ILE 12 2HD1 ILE 12 15.084 -0.529 9.798 74 HD13 ILE 12 3HD1 ILE 12 14.517 1.099 10.169 75 H ASP 13 H ASP 13 9.789 0.604 10.253 76 HA ASP 13 HA ASP 13 8.942 2.712 10.370 77 HB2 ASP 13 1HB ASP 13 11.112 2.953 8.344 78 HB3 ASP 13 2HB ASP 13 9.983 4.297 8.495 79 H LEU 14 H LEU 14 7.536 0.740 8.827 80 HA LEU 14 HA LEU 14 6.537 1.919 6.427 81 HB2 LEU 14 1HB LEU 14 6.547 -0.571 7.287 82 HB3 LEU 14 2HB LEU 14 4.981 -0.112 7.951 83 HG LEU 14 HG LEU 14 4.203 0.460 5.692 84 HD11 LEU 14 1HD1 LEU 14 7.022 0.161 5.091 85 HD12 LEU 14 2HD1 LEU 14 5.744 0.948 4.165 86 HD13 LEU 14 3HD1 LEU 14 6.005 -0.789 4.007 87 HD21 LEU 14 1HD2 LEU 14 5.272 -2.292 6.225 88 HD22 LEU 14 2HD2 LEU 14 4.357 -1.924 4.762 89 HD23 LEU 14 3HD2 LEU 14 3.614 -1.703 6.347 90 H VAL 15 H VAL 15 5.442 3.775 6.502 91 HA VAL 15 HA VAL 15 3.036 3.903 8.137 92 HB VAL 15 HB VAL 15 4.706 6.365 8.170 93 HG11 VAL 15 1HG1 VAL 15 3.652 6.426 10.500 94 HG12 VAL 15 2HG1 VAL 15 2.578 6.626 9.113 95 HG13 VAL 15 3HG1 VAL 15 2.661 5.075 9.949 96 HG21 VAL 15 1HG2 VAL 15 5.705 5.530 10.356 97 HG22 VAL 15 2HG2 VAL 15 5.256 3.912 9.819 98 HG23 VAL 15 3HG2 VAL 15 6.388 4.874 8.869 99 H VAL 16 H VAL 16 1.657 5.773 7.538 100 HA VAL 16 HA VAL 16 1.927 6.329 4.663 101 HB VAL 16 HB VAL 16 -0.547 6.521 6.385 102 HG11 VAL 16 1HG1 VAL 16 -1.176 6.243 3.659 103 HG12 VAL 16 2HG1 VAL 16 -1.422 7.655 4.688 104 HG13 VAL 16 3HG1 VAL 16 0.069 7.487 3.761 105 HG21 VAL 16 1HG2 VAL 16 -1.139 4.505 4.800 106 HG22 VAL 16 2HG2 VAL 16 0.614 4.313 4.758 107 HG23 VAL 16 3HG2 VAL 16 -0.244 4.250 6.298 108 H THR 17 H THR 17 2.113 8.360 3.921 109 HA THR 17 HA THR 17 2.054 10.534 5.904 110 HB THR 17 HB THR 17 4.218 10.018 4.635 111 HG1 THR 17 1HG THR 17 4.552 11.980 5.333 112 HG21 THR 17 1HG2 THR 17 3.179 11.688 2.415 113 HG22 THR 17 2HG2 THR 17 2.711 9.988 2.425 114 HG23 THR 17 3HG2 THR 17 4.417 10.433 2.405 115 H GLU 18 H GLU 18 0.610 9.338 3.027 116 HA GLU 18 HA GLU 18 -1.242 11.576 3.010 117 HB2 GLU 18 1HB GLU 18 0.646 10.954 0.772 118 HB3 GLU 18 2HB GLU 18 -0.958 11.568 0.398 119 HG2 GLU 18 1HG GLU 18 -0.384 13.434 2.085 120 HG3 GLU 18 2HG GLU 18 1.282 12.908 1.851 121 H THR 19 H THR 19 -3.254 11.061 2.208 122 HA THR 19 HA THR 19 -3.637 8.403 1.038 123 HB THR 19 HB THR 19 -5.787 8.375 2.601 124 HG1 THR 19 1HG THR 19 -5.618 9.612 4.315 125 HG21 THR 19 1HG2 THR 19 -3.455 7.536 4.156 126 HG22 THR 19 2HG2 THR 19 -3.432 6.976 2.484 127 HG23 THR 19 3HG2 THR 19 -4.798 6.584 3.527 128 H THR 20 H THR 20 -4.573 8.823 -0.852 129 HA THR 20 HA THR 20 -6.442 11.058 -1.088 130 HB THR 20 HB THR 20 -5.741 9.369 -3.440 131 HG1 THR 20 1HG THR 20 -3.917 11.359 -3.014 132 HG21 THR 20 1HG2 THR 20 -7.152 11.166 -3.956 133 HG22 THR 20 2HG2 THR 20 -5.549 11.747 -4.405 134 HG23 THR 20 3HG2 THR 20 -6.285 12.271 -2.891 135 H ALA 21 H ALA 21 -8.389 10.684 -2.502 136 HA ALA 21 HA ALA 21 -10.054 8.737 -1.355 137 HB1 ALA 21 1HB ALA 21 -10.504 10.158 -3.974 138 HB2 ALA 21 2HB ALA 21 -11.726 9.449 -2.918 139 HB3 ALA 21 3HB ALA 21 -10.819 10.867 -2.390 140 H THR 22 H THR 22 -8.231 8.779 -4.373 141 HA THR 22 HA THR 22 -8.903 5.931 -4.732 142 HB THR 22 HB THR 22 -8.631 6.269 -7.182 143 HG1 THR 22 1HG THR 22 -7.515 8.457 -6.625 144 HG21 THR 22 1HG2 THR 22 -10.754 8.042 -5.970 145 HG22 THR 22 2HG2 THR 22 -10.861 6.286 -6.092 146 HG23 THR 22 3HG2 THR 22 -10.799 7.269 -7.554 147 H SER 23 H SER 23 -6.607 7.426 -3.438 148 HA SER 23 HA SER 23 -4.520 5.758 -4.521 149 HB2 SER 23 1HB SER 23 -4.211 8.769 -4.601 150 HB3 SER 23 2HB SER 23 -2.946 7.597 -4.966 151 HG SER 23 HG SER 23 -3.985 7.023 -6.796 152 H VAL 24 H VAL 24 -2.458 6.033 -3.250 153 HA VAL 24 HA VAL 24 -2.699 7.281 -0.654 154 HB VAL 24 HB VAL 24 -3.811 5.314 -0.011 155 HG11 VAL 24 1HG1 VAL 24 -2.072 3.190 -0.728 156 HG12 VAL 24 2HG1 VAL 24 -3.732 3.476 -1.252 157 HG13 VAL 24 3HG1 VAL 24 -2.387 4.148 -2.174 158 HG21 VAL 24 1HG2 VAL 24 -1.740 5.999 1.328 159 HG22 VAL 24 2HG2 VAL 24 -2.406 4.392 1.621 160 HG23 VAL 24 3HG2 VAL 24 -0.968 4.581 0.617 161 H THR 25 H THR 25 -0.722 7.386 0.483 162 HA THR 25 HA THR 25 1.630 6.715 -1.162 163 HB THR 25 HB THR 25 1.213 9.005 0.762 164 HG1 THR 25 1HG THR 25 1.074 10.178 -1.019 165 HG21 THR 25 1HG2 THR 25 3.572 9.628 -0.080 166 HG22 THR 25 2HG2 THR 25 3.716 7.919 -0.489 167 HG23 THR 25 3HG2 THR 25 3.431 8.405 1.182 168 H LEU 26 H LEU 26 3.365 5.705 -0.228 169 HA LEU 26 HA LEU 26 3.122 4.986 2.616 170 HB2 LEU 26 1HB LEU 26 2.588 3.194 0.771 171 HB3 LEU 26 2HB LEU 26 4.344 3.088 0.667 172 HG LEU 26 HG LEU 26 4.493 2.375 2.957 173 HD11 LEU 26 1HD1 LEU 26 1.563 3.016 3.031 174 HD12 LEU 26 2HD1 LEU 26 2.849 3.604 4.083 175 HD13 LEU 26 3HD1 LEU 26 2.313 1.928 4.198 176 HD21 LEU 26 1HD2 LEU 26 4.109 0.599 1.410 177 HD22 LEU 26 2HD2 LEU 26 2.374 0.919 1.386 178 HD23 LEU 26 3HD2 LEU 26 3.133 0.280 2.845 179 H THR 27 H THR 27 5.003 4.910 3.795 180 HA THR 27 HA THR 27 7.504 5.548 2.387 181 HB THR 27 HB THR 27 8.129 7.144 4.131 182 HG1 THR 27 1HG THR 27 6.541 7.768 5.673 183 HG21 THR 27 1HG2 THR 27 7.256 8.442 2.491 184 HG22 THR 27 2HG2 THR 27 5.997 8.736 3.691 185 HG23 THR 27 3HG2 THR 27 5.748 7.531 2.427 186 H TRP 28 H TRP 28 9.337 4.624 3.207 187 HA TRP 28 HA TRP 28 9.412 3.406 5.803 188 HB2 TRP 28 1HB TRP 28 9.646 1.103 5.106 189 HB3 TRP 28 2HB TRP 28 8.119 1.729 4.490 190 HD1 TRP 28 HD TRP 28 11.507 0.434 3.341 191 HE1 TRP 28 1HE TRP 28 11.443 0.072 0.793 192 HE3 TRP 28 3HE TRP 28 6.994 2.610 2.326 193 HZ2 TRP 28 2HZ TRP 28 9.709 0.636 -1.362 194 HZ3 TRP 28 3HZ TRP 28 6.205 2.658 -0.004 195 HH2 TRP 28 HH TRP 28 7.536 1.691 -1.808 196 H ASP 29 H ASP 29 11.503 1.898 5.848 197 HA ASP 29 HA ASP 29 13.624 3.415 4.477 198 HB2 ASP 29 1HB ASP 29 13.393 3.491 7.063 199 HB3 ASP 29 2HB ASP 29 14.066 1.864 7.012 200 H SER 30 H SER 30 15.465 2.278 3.735 201 HA SER 30 HA SER 30 15.072 0.027 2.274 202 HB2 SER 30 1HB SER 30 17.559 1.119 3.563 203 HB3 SER 30 2HB SER 30 17.620 -0.366 2.612 204 HG SER 30 HG SER 30 17.702 2.087 1.711 205 H GLY 31 H GLY 31 16.347 0.110 5.597 206 HA2 GLY 31 1HA GLY 31 16.069 -1.457 7.283 207 HA3 GLY 31 2HA GLY 31 15.138 -2.445 6.167 208 H ASN 32 H ASN 32 16.977 -2.793 4.122 209 HA ASN 32 HA ASN 32 18.767 -4.703 5.378 210 HB2 ASN 32 1HB ASN 32 17.973 -4.157 2.522 211 HB3 ASN 32 2HB ASN 32 19.280 -5.266 2.927 212 HD21 ASN 32 1HD2 ASN 32 15.871 -4.599 3.552 213 HD22 ASN 32 2HD2 ASN 32 15.406 -6.249 3.772 214 H SER 33 H SER 33 20.983 -4.909 4.136 215 HA SER 33 HA SER 33 22.242 -2.256 4.293 216 HB2 SER 33 1HB SER 33 23.051 -3.948 5.913 217 HB3 SER 33 2HB SER 33 23.524 -4.987 4.569 218 HG SER 33 HG SER 33 24.610 -2.507 5.360 219 H GLU 34 H GLU 34 21.659 -4.971 2.231 220 HA GLU 34 HA GLU 34 23.483 -3.887 0.199 221 HB2 GLU 34 1HB GLU 34 22.123 -6.583 0.354 222 HB3 GLU 34 2HB GLU 34 23.193 -6.064 -0.941 223 HG2 GLU 34 1HG GLU 34 25.056 -5.953 0.556 224 HG3 GLU 34 2HG GLU 34 24.015 -6.256 1.946 225 HA PRO 35 HA PRO 35 20.104 -2.312 -2.139 226 HB2 PRO 35 1HB PRO 35 21.258 -2.277 -4.596 227 HB3 PRO 35 2HB PRO 35 21.673 -1.123 -3.323 228 HG2 PRO 35 1HG PRO 35 23.110 -3.610 -4.168 229 HG3 PRO 35 2HG PRO 35 23.775 -2.017 -3.762 230 HD2 PRO 35 1HD PRO 35 23.794 -4.091 -2.021 231 HD3 PRO 35 2HD PRO 35 23.646 -2.403 -1.493 232 H VAL 36 H VAL 36 18.434 -3.726 -2.275 233 HA VAL 36 HA VAL 36 18.661 -6.222 -3.700 234 HB VAL 36 HB VAL 36 16.313 -6.562 -3.124 235 HG11 VAL 36 1HG1 VAL 36 17.245 -5.490 -0.561 236 HG12 VAL 36 2HG1 VAL 36 16.815 -7.141 -1.014 237 HG13 VAL 36 3HG1 VAL 36 18.418 -6.510 -1.394 238 HG21 VAL 36 1HG2 VAL 36 14.961 -4.809 -2.934 239 HG22 VAL 36 2HG2 VAL 36 15.743 -4.421 -1.401 240 HG23 VAL 36 3HG2 VAL 36 16.332 -3.700 -2.899 241 H THR 37 H THR 37 17.509 -6.814 -5.565 242 HA THR 37 HA THR 37 17.573 -5.188 -7.730 243 HB THR 37 HB THR 37 15.476 -7.315 -7.252 244 HG1 THR 37 1HG THR 37 17.957 -7.705 -7.184 245 HG21 THR 37 1HG2 THR 37 15.428 -5.562 -9.277 246 HG22 THR 37 2HG2 THR 37 14.939 -7.247 -9.462 247 HG23 THR 37 3HG2 THR 37 16.555 -6.738 -9.951 248 H TYR 38 H TYR 38 14.704 -5.695 -5.681 249 HA TYR 38 HA TYR 38 13.855 -2.994 -5.965 250 HB2 TYR 38 1HB TYR 38 11.958 -3.216 -7.343 251 HB3 TYR 38 2HB TYR 38 13.227 -4.085 -8.198 252 HD1 TYR 38 2HD TYR 38 13.207 -6.543 -8.285 253 HD2 TYR 38 1HD TYR 38 10.048 -4.366 -6.445 254 HE1 TYR 38 2HE TYR 38 11.787 -8.551 -8.360 255 HE2 TYR 38 1HE TYR 38 8.620 -6.368 -6.514 256 HH TYR 38 HH TYR 38 8.958 -8.805 -8.364 257 H TYR 39 H TYR 39 11.399 -2.888 -5.193 258 HA TYR 39 HA TYR 39 11.103 -4.778 -2.952 259 HB2 TYR 39 1HB TYR 39 10.713 -1.785 -2.962 260 HB3 TYR 39 2HB TYR 39 10.097 -2.827 -1.685 261 HD1 TYR 39 1HD TYR 39 13.260 -1.934 -3.445 262 HD2 TYR 39 2HD TYR 39 11.446 -3.330 0.142 263 HE1 TYR 39 1HE TYR 39 15.435 -1.809 -2.304 264 HE2 TYR 39 2HE TYR 39 13.616 -3.208 1.293 265 HH TYR 39 HH TYR 39 16.542 -2.862 -0.332 266 H GLY 40 H GLY 40 9.254 -5.864 -2.990 267 HA2 GLY 40 1HA GLY 40 7.160 -5.087 -4.837 268 HA3 GLY 40 2HA GLY 40 7.219 -6.562 -3.884 269 H ILE 41 H ILE 41 4.861 -5.201 -4.144 270 HA ILE 41 HA ILE 41 4.370 -4.432 -1.376 271 HB ILE 41 HB ILE 41 3.492 -2.681 -3.675 272 HG12 ILE 41 1HG1 ILE 41 5.411 -1.975 -1.455 273 HG13 ILE 41 2HG1 ILE 41 5.950 -2.589 -3.015 274 HG21 ILE 41 1HG2 ILE 41 3.206 -1.407 -1.174 275 HG22 ILE 41 2HG2 ILE 41 1.939 -1.913 -2.292 276 HG23 ILE 41 3HG2 ILE 41 2.488 -3.011 -1.026 277 HD11 ILE 41 1HD1 ILE 41 4.159 -0.450 -3.494 278 HD12 ILE 41 2HD1 ILE 41 5.327 0.069 -2.278 279 HD13 ILE 41 3HD1 ILE 41 5.887 -0.543 -3.835 280 H GLN 42 H GLN 42 2.452 -5.145 -0.634 281 HA GLN 42 HA GLN 42 0.482 -6.098 -2.603 282 HB2 GLN 42 1HB GLN 42 1.458 -7.486 -0.109 283 HB3 GLN 42 2HB GLN 42 -0.030 -7.938 -0.930 284 HG2 GLN 42 1HG GLN 42 1.447 -9.428 -1.836 285 HG3 GLN 42 2HG GLN 42 1.513 -8.125 -3.021 286 HE21 GLN 42 1HE2 GLN 42 3.471 -10.212 -2.252 287 HE22 GLN 42 2HE2 GLN 42 4.918 -9.353 -1.861 288 H TYR 43 H TYR 43 -1.612 -5.610 -2.205 289 HA TYR 43 HA TYR 43 -2.419 -4.667 0.427 290 HB2 TYR 43 1HB TYR 43 -3.385 -2.583 -0.476 291 HB3 TYR 43 2HB TYR 43 -1.633 -2.624 -0.645 292 HD1 TYR 43 1HD TYR 43 -0.646 -3.165 -2.902 293 HD2 TYR 43 2HD TYR 43 -4.783 -2.336 -2.360 294 HE1 TYR 43 1HE TYR 43 -0.863 -2.710 -5.309 295 HE2 TYR 43 2HE TYR 43 -5.013 -1.880 -4.766 296 HH TYR 43 HH TYR 43 -3.971 -2.220 -6.812 297 H ARG 44 H ARG 44 -4.658 -4.723 0.774 298 HA ARG 44 HA ARG 44 -6.507 -5.365 -1.307 299 HB2 ARG 44 1HB ARG 44 -5.536 -7.558 -1.160 300 HB3 ARG 44 2HB ARG 44 -5.643 -7.543 0.596 301 HG2 ARG 44 1HG ARG 44 -7.463 -8.809 0.161 302 HG3 ARG 44 2HG ARG 44 -8.223 -7.222 0.039 303 HD2 ARG 44 1HD ARG 44 -6.998 -8.488 -2.376 304 HD3 ARG 44 2HD ARG 44 -8.599 -8.991 -1.834 305 HE ARG 44 HE ARG 44 -8.307 -6.144 -2.096 306 HH11 ARG 44 2HH1 ARG 44 -9.064 -9.110 -3.753 307 HH12 ARG 44 1HH1 ARG 44 -9.994 -8.333 -4.991 308 HH21 ARG 44 2HH2 ARG 44 -9.529 -5.109 -3.720 309 HH22 ARG 44 1HH2 ARG 44 -10.257 -6.057 -4.972 310 H ALA 45 H ALA 45 -8.620 -5.105 -0.663 311 HA ALA 45 HA ALA 45 -9.371 -3.410 1.251 312 HB1 ALA 45 1HB ALA 45 -11.185 -3.985 0.032 313 HB2 ALA 45 2HB ALA 45 -10.754 -5.696 -0.009 314 HB3 ALA 45 3HB ALA 45 -11.511 -5.011 1.429 315 H ALA 46 H ALA 46 -9.536 -3.284 3.410 316 HA ALA 46 HA ALA 46 -8.338 -5.269 5.047 317 HB1 ALA 46 1HB ALA 46 -9.316 -3.789 6.917 318 HB2 ALA 46 2HB ALA 46 -8.093 -3.100 5.848 319 HB3 ALA 46 3HB ALA 46 -9.796 -2.712 5.604 320 H GLY 47 H GLY 47 -9.736 -7.078 4.313 321 HA2 GLY 47 1HA GLY 47 -11.143 -8.520 5.786 322 HA3 GLY 47 2HA GLY 47 -12.251 -7.158 5.865 323 H THR 48 H THR 48 -10.673 -9.282 3.483 324 HA THR 48 HA THR 48 -13.246 -9.594 2.137 325 HB THR 48 HB THR 48 -11.998 -7.718 1.007 326 HG1 THR 48 1HG THR 48 -12.197 -9.857 -0.809 327 HG21 THR 48 1HG2 THR 48 -10.021 -8.080 -0.166 328 HG22 THR 48 2HG2 THR 48 -10.216 -9.833 -0.148 329 HG23 THR 48 3HG2 THR 48 -9.757 -8.981 1.326 330 H GLU 49 H GLU 49 -12.994 -11.255 0.290 331 HA GLU 49 HA GLU 49 -11.224 -13.410 1.241 332 HB2 GLU 49 1HB GLU 49 -13.812 -13.633 1.383 333 HB3 GLU 49 2HB GLU 49 -13.719 -13.902 -0.352 334 HG2 GLU 49 1HG GLU 49 -12.515 -15.882 -0.104 335 HG3 GLU 49 2HG GLU 49 -12.063 -15.505 1.558 336 H GLY 50 H GLY 50 -9.973 -11.765 -0.403 337 HA2 GLY 50 1HA GLY 50 -9.853 -13.295 -2.914 338 HA3 GLY 50 2HA GLY 50 -9.949 -11.542 -2.978 339 HA PRO 51 HA PRO 51 -5.490 -13.161 -2.557 340 HB2 PRO 51 1HB PRO 51 -4.682 -12.763 -5.119 341 HB3 PRO 51 2HB PRO 51 -5.374 -14.289 -4.555 342 HG2 PRO 51 1HG PRO 51 -6.687 -12.049 -6.046 343 HG3 PRO 51 2HG PRO 51 -6.836 -13.799 -6.296 344 HD2 PRO 51 1HD PRO 51 -8.702 -12.352 -4.971 345 HD3 PRO 51 2HD PRO 51 -8.343 -14.044 -4.570 346 H PHE 52 H PHE 52 -3.970 -11.715 -1.990 347 HA PHE 52 HA PHE 52 -4.503 -8.929 -2.182 348 HB2 PHE 52 1HB PHE 52 -2.266 -10.593 -1.097 349 HB3 PHE 52 2HB PHE 52 -2.020 -8.862 -1.309 350 HD1 PHE 52 2HD PHE 52 -4.487 -11.240 0.161 351 HD2 PHE 52 1HD PHE 52 -2.549 -7.461 0.431 352 HE1 PHE 52 2HE PHE 52 -5.609 -10.823 2.310 353 HE2 PHE 52 1HE PHE 52 -3.666 -7.038 2.582 354 HZ PHE 52 HZ PHE 52 -5.199 -8.719 3.524 355 H GLN 53 H GLN 53 -3.801 -7.437 -3.593 356 HA GLN 53 HA GLN 53 -2.868 -8.125 -6.116 357 HB2 GLN 53 1HB GLN 53 -2.715 -5.494 -4.642 358 HB3 GLN 53 2HB GLN 53 -2.317 -5.681 -6.345 359 HG2 GLN 53 1HG GLN 53 -4.726 -6.759 -6.422 360 HG3 GLN 53 2HG GLN 53 -4.953 -5.759 -4.988 361 HE21 GLN 53 1HE2 GLN 53 -3.169 -5.259 -8.011 362 HE22 GLN 53 2HE2 GLN 53 -3.968 -3.788 -8.440 363 H GLU 54 H GLU 54 -0.796 -7.078 -7.075 364 HA GLU 54 HA GLU 54 1.493 -7.284 -5.280 365 HB2 GLU 54 1HB GLU 54 1.077 -9.570 -6.192 366 HB3 GLU 54 2HB GLU 54 1.311 -8.925 -7.811 367 HG2 GLU 54 1HG GLU 54 3.387 -9.760 -7.398 368 HG3 GLU 54 2HG GLU 54 3.594 -8.109 -6.818 369 H VAL 55 H VAL 55 3.172 -5.992 -5.851 370 HA VAL 55 HA VAL 55 3.149 -4.757 -8.512 371 HB VAL 55 HB VAL 55 3.375 -3.216 -5.923 372 HG11 VAL 55 1HG1 VAL 55 4.881 -2.416 -7.731 373 HG12 VAL 55 2HG1 VAL 55 3.461 -2.173 -8.751 374 HG13 VAL 55 3HG1 VAL 55 3.650 -1.243 -7.264 375 HG21 VAL 55 1HG2 VAL 55 1.343 -2.525 -7.945 376 HG22 VAL 55 2HG2 VAL 55 1.087 -4.041 -7.082 377 HG23 VAL 55 3HG2 VAL 55 1.238 -2.530 -6.185 378 H ASP 56 H ASP 56 5.080 -4.945 -9.420 379 HA ASP 56 HA ASP 56 7.455 -5.031 -7.677 380 HB2 ASP 56 1HB ASP 56 8.492 -6.552 -9.333 381 HB3 ASP 56 2HB ASP 56 7.046 -7.243 -8.602 382 H GLY 57 H GLY 57 9.072 -3.658 -8.144 383 HA2 GLY 57 1HA GLY 57 10.358 -2.662 -10.081 384 HA3 GLY 57 2HA GLY 57 8.794 -2.061 -10.613 385 H VAL 58 H VAL 58 9.493 -2.150 -7.226 386 HA VAL 58 HA VAL 58 9.488 0.777 -7.185 387 HB VAL 58 HB VAL 58 9.307 -1.039 -4.788 388 HG11 VAL 58 1HG1 VAL 58 7.923 1.558 -4.890 389 HG12 VAL 58 2HG1 VAL 58 8.843 0.810 -3.583 390 HG13 VAL 58 3HG1 VAL 58 9.685 1.631 -4.898 391 HG21 VAL 58 1HG2 VAL 58 6.778 0.070 -5.619 392 HG22 VAL 58 2HG2 VAL 58 7.464 -0.952 -6.882 393 HG23 VAL 58 3HG2 VAL 58 7.207 -1.603 -5.263 394 H ALA 59 H ALA 59 11.578 1.355 -7.647 395 HA ALA 59 HA ALA 59 13.738 0.195 -6.048 396 HB1 ALA 59 1HB ALA 59 15.111 1.756 -7.636 397 HB2 ALA 59 2HB ALA 59 14.457 0.230 -8.231 398 HB3 ALA 59 3HB ALA 59 13.630 1.745 -8.594 399 H THR 60 H THR 60 11.713 2.070 -4.963 400 HA THR 60 HA THR 60 13.600 4.042 -3.887 401 HB THR 60 HB THR 60 11.664 5.711 -3.866 402 HG1 THR 60 1HG THR 60 10.315 3.725 -4.789 403 HG21 THR 60 1HG2 THR 60 12.370 6.653 -5.862 404 HG22 THR 60 2HG2 THR 60 12.503 5.092 -6.672 405 HG23 THR 60 3HG2 THR 60 13.708 5.572 -5.478 406 H THR 61 H THR 61 12.709 5.109 -1.890 407 HA THR 61 HA THR 61 11.596 3.053 -0.173 408 HB THR 61 HB THR 61 11.988 4.783 1.642 409 HG1 THR 61 1HG THR 61 13.603 6.420 0.805 410 HG21 THR 61 1HG2 THR 61 14.194 4.150 1.884 411 HG22 THR 61 2HG2 THR 61 14.543 4.321 0.163 412 HG23 THR 61 3HG2 THR 61 13.617 2.937 0.742 413 H ARG 62 H ARG 62 10.454 5.699 -1.956 414 HA ARG 62 HA ARG 62 7.997 5.802 -0.331 415 HB2 ARG 62 1HB ARG 62 9.341 7.934 -0.491 416 HB3 ARG 62 2HB ARG 62 8.979 7.950 -2.212 417 HG2 ARG 62 1HG ARG 62 6.725 8.373 -1.864 418 HG3 ARG 62 2HG ARG 62 6.777 7.805 -0.194 419 HD2 ARG 62 1HD ARG 62 7.901 9.746 0.535 420 HD3 ARG 62 2HD ARG 62 8.293 10.231 -1.114 421 HE ARG 62 HE ARG 62 5.917 10.839 0.312 422 HH11 ARG 62 2HH1 ARG 62 7.111 10.065 -2.866 423 HH12 ARG 62 1HH1 ARG 62 5.838 10.903 -3.690 424 HH21 ARG 62 2HH2 ARG 62 4.236 11.945 -0.762 425 HH22 ARG 62 1HH2 ARG 62 4.204 11.972 -2.493 426 H TYR 63 H TYR 63 6.273 4.918 -1.242 427 HA TYR 63 HA TYR 63 5.925 5.083 -4.142 428 HB2 TYR 63 1HB TYR 63 6.986 2.896 -3.677 429 HB3 TYR 63 2HB TYR 63 5.661 2.499 -2.589 430 HD1 TYR 63 2HD TYR 63 3.387 2.121 -3.499 431 HD2 TYR 63 1HD TYR 63 6.743 2.709 -6.046 432 HE1 TYR 63 2HE TYR 63 2.110 1.193 -5.385 433 HE2 TYR 63 1HE TYR 63 5.476 1.784 -7.940 434 HH TYR 63 HH TYR 63 3.440 1.147 -8.657 435 H SER 64 H SER 64 3.805 5.146 -4.822 436 HA SER 64 HA SER 64 1.784 5.254 -2.679 437 HB2 SER 64 1HB SER 64 0.606 6.944 -3.970 438 HB3 SER 64 2HB SER 64 2.276 7.456 -3.727 439 HG SER 64 HG SER 64 2.737 6.794 -5.836 440 H ILE 65 H ILE 65 -0.189 4.280 -3.008 441 HA ILE 65 HA ILE 65 -0.320 2.464 -5.318 442 HB ILE 65 HB ILE 65 -1.709 2.263 -2.643 443 HG12 ILE 65 1HG1 ILE 65 -0.215 0.054 -2.772 444 HG13 ILE 65 2HG1 ILE 65 0.776 1.089 -3.794 445 HG21 ILE 65 1HG2 ILE 65 -3.095 0.779 -3.535 446 HG22 ILE 65 2HG2 ILE 65 -2.436 1.161 -5.125 447 HG23 ILE 65 3HG2 ILE 65 -1.742 -0.152 -4.175 448 HD11 ILE 65 1HD1 ILE 65 -0.120 2.086 -1.135 449 HD12 ILE 65 2HD1 ILE 65 1.222 0.946 -1.239 450 HD13 ILE 65 3HD1 ILE 65 1.318 2.499 -2.069 451 H GLY 66 H GLY 66 -2.020 2.503 -6.695 452 HA2 GLY 66 1HA GLY 66 -4.220 4.372 -6.064 453 HA3 GLY 66 2HA GLY 66 -3.464 4.333 -7.650 454 H GLY 67 H GLY 67 -6.099 4.053 -7.661 455 HA2 GLY 67 1HA GLY 67 -7.535 2.625 -8.842 456 HA3 GLY 67 2HA GLY 67 -6.426 1.296 -8.541 457 H LEU 68 H LEU 68 -7.320 3.268 -5.862 458 HA LEU 68 HA LEU 68 -8.853 1.026 -4.767 459 HB2 LEU 68 1HB LEU 68 -7.832 3.468 -3.331 460 HB3 LEU 68 2HB LEU 68 -8.465 1.992 -2.606 461 HG LEU 68 HG LEU 68 -5.917 2.134 -4.213 462 HD11 LEU 68 1HD1 LEU 68 -6.351 2.197 -1.232 463 HD12 LEU 68 2HD1 LEU 68 -5.625 3.456 -2.230 464 HD13 LEU 68 3HD1 LEU 68 -4.795 1.915 -2.014 465 HD21 LEU 68 1HD2 LEU 68 -7.526 -0.028 -3.364 466 HD22 LEU 68 2HD2 LEU 68 -6.074 -0.028 -2.362 467 HD23 LEU 68 3HD2 LEU 68 -5.933 -0.081 -4.119 468 H SER 69 H SER 69 -10.576 1.876 -3.085 469 HA SER 69 HA SER 69 -12.335 3.680 -4.597 470 HB2 SER 69 1HB SER 69 -12.878 1.448 -2.651 471 HB3 SER 69 2HB SER 69 -14.114 2.646 -3.034 472 HG SER 69 HG SER 69 -12.779 1.412 -5.153 473 HA PRO 70 HA PRO 70 -12.096 6.796 -1.509 474 HB2 PRO 70 1HB PRO 70 -14.541 7.941 -1.793 475 HB3 PRO 70 2HB PRO 70 -13.242 8.144 -2.975 476 HG2 PRO 70 1HG PRO 70 -15.593 6.291 -3.043 477 HG3 PRO 70 2HG PRO 70 -14.908 7.278 -4.348 478 HD2 PRO 70 1HD PRO 70 -14.406 4.627 -4.108 479 HD3 PRO 70 2HD PRO 70 -13.219 5.768 -4.773 480 H PHE 71 H PHE 71 -12.384 6.860 0.637 481 HA PHE 71 HA PHE 71 -13.216 6.480 2.721 482 HB2 PHE 71 1HB PHE 71 -15.369 7.305 1.414 483 HB3 PHE 71 2HB PHE 71 -15.876 5.637 1.658 484 HD1 PHE 71 2HD PHE 71 -14.165 8.227 3.736 485 HD2 PHE 71 1HD PHE 71 -17.320 5.389 3.411 486 HE1 PHE 71 2HE PHE 71 -14.901 8.790 6.015 487 HE2 PHE 71 1HE PHE 71 -18.063 5.948 5.690 488 HZ PHE 71 HZ PHE 71 -16.852 7.650 6.995 489 H SER 72 H SER 72 -11.783 4.457 1.609 490 HA SER 72 HA SER 72 -13.148 2.076 2.667 491 HB2 SER 72 1HB SER 72 -12.111 0.705 0.916 492 HB3 SER 72 2HB SER 72 -13.127 1.958 0.204 493 HG SER 72 HG SER 72 -11.077 3.195 0.063 494 H GLU 73 H GLU 73 -11.671 0.376 3.393 495 HA GLU 73 HA GLU 73 -9.117 1.500 4.339 496 HB2 GLU 73 1HB GLU 73 -11.056 0.859 5.991 497 HB3 GLU 73 2HB GLU 73 -10.473 -0.778 5.727 498 HG2 GLU 73 1HG GLU 73 -8.468 -0.384 6.771 499 HG3 GLU 73 2HG GLU 73 -8.529 1.351 6.470 500 H TYR 74 H TYR 74 -7.278 0.410 3.938 501 HA TYR 74 HA TYR 74 -7.431 -2.357 2.996 502 HB2 TYR 74 1HB TYR 74 -6.269 -0.033 1.478 503 HB3 TYR 74 2HB TYR 74 -5.699 -1.676 1.206 504 HD1 TYR 74 1HD TYR 74 -8.785 0.404 1.192 505 HD2 TYR 74 2HD TYR 74 -6.838 -3.087 -0.267 506 HE1 TYR 74 1HE TYR 74 -10.648 0.025 -0.369 507 HE2 TYR 74 2HE TYR 74 -8.695 -3.475 -1.832 508 HH TYR 74 HH TYR 74 -10.608 -1.584 -2.924 509 H ALA 75 H ALA 75 -5.402 -3.492 3.088 510 HA ALA 75 HA ALA 75 -3.551 -2.310 5.051 511 HB1 ALA 75 1HB ALA 75 -3.904 -4.148 6.244 512 HB2 ALA 75 2HB ALA 75 -4.874 -4.855 4.951 513 HB3 ALA 75 3HB ALA 75 -3.125 -5.078 4.964 514 H PHE 76 H PHE 76 -1.692 -1.672 4.198 515 HA PHE 76 HA PHE 76 -0.719 -2.930 1.744 516 HB2 PHE 76 1HB PHE 76 0.337 -0.474 3.157 517 HB3 PHE 76 2HB PHE 76 0.758 -1.019 1.537 518 HD1 PHE 76 2HD PHE 76 -1.892 0.457 3.615 519 HD2 PHE 76 1HD PHE 76 -0.651 -0.568 -0.326 520 HE1 PHE 76 2HE PHE 76 -3.725 1.812 2.689 521 HE2 PHE 76 1HE PHE 76 -2.481 0.787 -1.258 522 HZ PHE 76 HZ PHE 76 -4.022 1.978 0.250 523 H ARG 77 H ARG 77 1.520 -3.541 1.536 524 HA ARG 77 HA ARG 77 3.106 -3.870 3.925 525 HB2 ARG 77 1HB ARG 77 3.294 -6.339 3.663 526 HB3 ARG 77 2HB ARG 77 1.695 -5.806 4.164 527 HG2 ARG 77 1HG ARG 77 0.800 -6.169 1.997 528 HG3 ARG 77 2HG ARG 77 2.406 -6.415 1.308 529 HD2 ARG 77 1HD ARG 77 1.771 -8.590 1.541 530 HD3 ARG 77 2HD ARG 77 2.491 -8.333 3.130 531 HE ARG 77 HE ARG 77 -0.315 -8.701 2.521 532 HH11 ARG 77 2HH1 ARG 77 2.054 -7.657 4.849 533 HH12 ARG 77 1HH1 ARG 77 0.996 -7.850 6.207 534 HH21 ARG 77 2HH2 ARG 77 -1.717 -8.959 4.301 535 HH22 ARG 77 1HH2 ARG 77 -1.149 -8.592 5.895 536 H VAL 78 H VAL 78 5.163 -3.574 3.386 537 HA VAL 78 HA VAL 78 5.936 -3.908 0.572 538 HB VAL 78 HB VAL 78 7.446 -2.412 2.714 539 HG11 VAL 78 1HG1 VAL 78 8.504 -1.322 0.740 540 HG12 VAL 78 2HG1 VAL 78 8.851 -3.047 0.876 541 HG13 VAL 78 3HG1 VAL 78 7.659 -2.475 -0.292 542 HG21 VAL 78 1HG2 VAL 78 5.093 -1.558 2.180 543 HG22 VAL 78 2HG2 VAL 78 6.425 -0.410 2.052 544 HG23 VAL 78 3HG2 VAL 78 5.743 -1.135 0.596 545 H LEU 79 H LEU 79 7.844 -4.985 0.004 546 HA LEU 79 HA LEU 79 9.360 -6.367 2.055 547 HB2 LEU 79 1HB LEU 79 9.046 -8.561 0.849 548 HB3 LEU 79 2HB LEU 79 7.679 -7.985 1.801 549 HG LEU 79 HG LEU 79 6.863 -7.040 -0.505 550 HD11 LEU 79 1HD1 LEU 79 7.602 -9.055 -2.133 551 HD12 LEU 79 2HD1 LEU 79 9.094 -8.820 -1.223 552 HD13 LEU 79 3HD1 LEU 79 8.380 -7.473 -2.109 553 HD21 LEU 79 1HD2 LEU 79 6.393 -9.844 -0.717 554 HD22 LEU 79 2HD2 LEU 79 5.308 -8.579 -0.141 555 HD23 LEU 79 3HD2 LEU 79 6.395 -9.391 0.987 556 H ALA 80 H ALA 80 11.437 -6.669 1.471 557 HA ALA 80 HA ALA 80 12.377 -5.491 -0.949 558 HB1 ALA 80 1HB ALA 80 13.846 -5.225 0.822 559 HB2 ALA 80 2HB ALA 80 13.685 -6.903 1.341 560 HB3 ALA 80 3HB ALA 80 14.602 -6.515 -0.114 561 H VAL 81 H VAL 81 13.366 -6.460 -2.720 562 HA VAL 81 HA VAL 81 13.255 -9.379 -2.923 563 HB VAL 81 HB VAL 81 12.155 -7.635 -5.121 564 HG11 VAL 81 1HG1 VAL 81 12.852 -10.401 -4.894 565 HG12 VAL 81 2HG1 VAL 81 11.116 -10.249 -5.171 566 HG13 VAL 81 3HG1 VAL 81 12.257 -9.515 -6.298 567 HG21 VAL 81 1HG2 VAL 81 10.849 -7.595 -2.907 568 HG22 VAL 81 2HG2 VAL 81 9.969 -7.987 -4.384 569 HG23 VAL 81 3HG2 VAL 81 10.449 -9.272 -3.276 570 H ASN 82 H ASN 82 14.914 -10.244 -4.040 571 HA ASN 82 HA ASN 82 16.433 -8.648 -5.924 572 HB2 ASN 82 1HB ASN 82 18.452 -8.572 -4.790 573 HB3 ASN 82 2HB ASN 82 17.309 -8.324 -3.473 574 HD21 ASN 82 1HD2 ASN 82 17.102 -9.849 -1.901 575 HD22 ASN 82 2HD2 ASN 82 18.121 -11.239 -1.780 576 H SER 83 H SER 83 18.565 -10.139 -6.419 577 HA SER 83 HA SER 83 17.879 -12.136 -8.052 578 HB2 SER 83 1HB SER 83 20.292 -11.780 -6.325 579 HB3 SER 83 2HB SER 83 20.119 -13.283 -7.230 580 HG SER 83 HG SER 83 19.725 -11.816 -9.094 581 H ILE 84 H ILE 84 18.361 -12.537 -4.563 582 HA ILE 84 HA ILE 84 17.957 -15.299 -4.424 583 HB ILE 84 HB ILE 84 17.220 -13.248 -2.333 584 HG12 ILE 84 1HG1 ILE 84 19.586 -13.124 -3.150 585 HG13 ILE 84 2HG1 ILE 84 19.439 -13.537 -1.445 586 HG21 ILE 84 1HG2 ILE 84 18.047 -15.505 -1.030 587 HG22 ILE 84 2HG2 ILE 84 16.368 -15.042 -1.303 588 HG23 ILE 84 3HG2 ILE 84 17.163 -16.167 -2.405 589 HD11 ILE 84 1HD1 ILE 84 19.568 -15.816 -3.296 590 HD12 ILE 84 2HD1 ILE 84 21.028 -14.833 -3.175 591 HD13 ILE 84 3HD1 ILE 84 20.340 -15.571 -1.729 592 H GLY 85 H GLY 85 15.597 -12.695 -3.776 593 HA2 GLY 85 1HA GLY 85 13.464 -13.495 -5.201 594 HA3 GLY 85 2HA GLY 85 13.414 -14.605 -3.839 595 H ARG 86 H ARG 86 11.280 -13.538 -3.555 596 HA ARG 86 HA ARG 86 11.395 -10.851 -2.430 597 HB2 ARG 86 1HB ARG 86 8.984 -10.902 -2.468 598 HB3 ARG 86 2HB ARG 86 9.587 -11.475 -4.017 599 HG2 ARG 86 1HG ARG 86 9.328 -13.829 -2.954 600 HG3 ARG 86 2HG ARG 86 8.254 -12.999 -1.826 601 HD2 ARG 86 1HD ARG 86 6.935 -12.163 -3.723 602 HD3 ARG 86 2HD ARG 86 7.997 -13.030 -4.831 603 HE ARG 86 HE ARG 86 6.933 -14.817 -2.926 604 HH11 ARG 86 2HH1 ARG 86 6.012 -12.960 -5.723 605 HH12 ARG 86 1HH1 ARG 86 4.748 -14.048 -6.191 606 HH21 ARG 86 2HH2 ARG 86 5.271 -16.257 -3.532 607 HH22 ARG 86 1HH2 ARG 86 4.326 -15.923 -4.944 608 H GLY 87 H GLY 87 11.853 -10.622 -0.345 609 HA2 GLY 87 1HA GLY 87 11.716 -12.779 1.517 610 HA3 GLY 87 2HA GLY 87 12.089 -11.104 1.894 611 HA PRO 88 HA PRO 88 7.912 -12.248 3.655 612 HB2 PRO 88 1HB PRO 88 8.488 -11.519 6.206 613 HB3 PRO 88 2HB PRO 88 8.807 -13.139 5.574 614 HG2 PRO 88 1HG PRO 88 10.688 -10.837 5.922 615 HG3 PRO 88 2HG PRO 88 10.942 -12.554 6.286 616 HD2 PRO 88 1HD PRO 88 11.900 -11.384 4.040 617 HD3 PRO 88 2HD PRO 88 11.388 -13.084 4.088 618 HA PRO 89 HA PRO 89 6.517 -8.072 3.433 619 HB2 PRO 89 1HB PRO 89 4.163 -8.306 4.765 620 HB3 PRO 89 2HB PRO 89 4.411 -8.941 3.135 621 HG2 PRO 89 1HG PRO 89 4.489 -10.378 5.759 622 HG3 PRO 89 2HG PRO 89 3.748 -10.883 4.229 623 HD2 PRO 89 1HD PRO 89 6.150 -11.815 5.062 624 HD3 PRO 89 2HD PRO 89 5.756 -11.591 3.346 625 H SER 90 H SER 90 6.298 -6.187 4.660 626 HA SER 90 HA SER 90 7.420 -6.367 7.343 627 HB2 SER 90 1HB SER 90 8.528 -4.699 6.155 628 HB3 SER 90 2HB SER 90 7.057 -4.155 5.349 629 HG SER 90 HG SER 90 7.865 -3.700 8.021 630 H GLU 91 H GLU 91 6.521 -4.723 8.965 631 HA GLU 91 HA GLU 91 4.092 -5.454 9.902 632 HB2 GLU 91 1HB GLU 91 3.984 -3.166 11.000 633 HB3 GLU 91 2HB GLU 91 5.442 -4.102 11.293 634 HG2 GLU 91 1HG GLU 91 6.486 -2.799 9.384 635 HG3 GLU 91 2HG GLU 91 5.088 -1.731 9.491 636 H ALA 92 H ALA 92 2.428 -5.706 8.480 637 HA ALA 92 HA ALA 92 1.674 -4.000 6.426 638 HB1 ALA 92 1HB ALA 92 -0.708 -5.050 7.105 639 HB2 ALA 92 2HB ALA 92 0.530 -5.932 6.208 640 HB3 ALA 92 3HB ALA 92 0.371 -6.160 7.950 641 H VAL 93 H VAL 93 0.802 -2.037 6.368 642 HA VAL 93 HA VAL 93 -0.372 -0.957 8.843 643 HB VAL 93 HB VAL 93 0.175 1.259 8.036 644 HG11 VAL 93 1HG1 VAL 93 2.014 -0.662 8.829 645 HG12 VAL 93 2HG1 VAL 93 2.784 0.147 7.462 646 HG13 VAL 93 3HG1 VAL 93 2.239 1.087 8.853 647 HG21 VAL 93 1HG2 VAL 93 1.409 1.609 5.957 648 HG22 VAL 93 2HG2 VAL 93 1.305 -0.115 5.598 649 HG23 VAL 93 3HG2 VAL 93 -0.160 0.865 5.647 650 H ARG 94 H ARG 94 -2.417 -0.205 8.858 651 HA ARG 94 HA ARG 94 -3.961 -0.496 6.381 652 HB2 ARG 94 1HB ARG 94 -4.773 -0.443 9.286 653 HB3 ARG 94 2HB ARG 94 -5.937 -0.380 7.970 654 HG2 ARG 94 1HG ARG 94 -4.833 -2.540 7.147 655 HG3 ARG 94 2HG ARG 94 -4.117 -2.621 8.758 656 HD2 ARG 94 1HD ARG 94 -7.043 -2.145 8.539 657 HD3 ARG 94 2HD ARG 94 -6.437 -3.766 8.200 658 HE ARG 94 HE ARG 94 -5.913 -4.017 10.432 659 HH11 ARG 94 2HH1 ARG 94 -6.803 -0.716 9.774 660 HH12 ARG 94 1HH1 ARG 94 -6.912 -0.275 11.446 661 HH21 ARG 94 2HH2 ARG 94 -6.053 -3.448 12.636 662 HH22 ARG 94 1HH2 ARG 94 -6.485 -1.830 13.073 663 H ALA 95 H ALA 95 -4.594 1.248 5.307 664 HA ALA 95 HA ALA 95 -4.900 3.783 6.773 665 HB1 ALA 95 1HB ALA 95 -3.993 3.915 3.958 666 HB2 ALA 95 2HB ALA 95 -3.609 4.961 5.326 667 HB3 ALA 95 3HB ALA 95 -2.813 3.396 5.162 668 H ARG 96 H ARG 96 -6.829 4.697 6.522 669 HA ARG 96 HA ARG 96 -8.687 3.587 4.589 670 HB2 ARG 96 1HB ARG 96 -9.116 4.271 7.100 671 HB3 ARG 96 2HB ARG 96 -9.388 5.860 6.397 672 HG2 ARG 96 1HG ARG 96 -11.171 5.017 5.034 673 HG3 ARG 96 2HG ARG 96 -10.830 3.362 5.541 674 HD2 ARG 96 1HD ARG 96 -11.417 5.398 7.630 675 HD3 ARG 96 2HD ARG 96 -12.754 4.782 6.659 676 HE ARG 96 HE ARG 96 -11.270 2.605 7.595 677 HH11 ARG 96 2HH1 ARG 96 -13.315 5.141 8.822 678 HH12 ARG 96 1HH1 ARG 96 -13.869 4.216 10.178 679 HH21 ARG 96 2HH2 ARG 96 -11.992 1.377 9.376 680 HH22 ARG 96 1HH2 ARG 96 -13.115 2.076 10.493 681 H THR 97 H THR 97 -8.830 4.392 2.611 682 HA THR 97 HA THR 97 -7.633 6.801 1.782 683 HB THR 97 HB THR 97 -8.727 6.453 -0.360 684 HG1 THR 97 1HG THR 97 -10.790 5.816 0.392 685 HG21 THR 97 1HG2 THR 97 -8.253 3.768 -0.368 686 HG22 THR 97 2HG2 THR 97 -7.353 4.280 1.060 687 HG23 THR 97 3HG2 THR 97 -7.006 5.007 -0.509 688 H GLY 98 H GLY 98 -8.560 8.765 1.089 689 HA2 GLY 98 1HA GLY 98 -10.637 9.745 2.760 690 HA3 GLY 98 2HA GLY 98 -9.893 10.608 1.422 691 H GLU 99 H GLU 99 -12.470 11.083 1.734 692 HA GLU 99 HA GLU 99 -13.826 9.380 -0.252 693 HB2 GLU 99 1HB GLU 99 -15.941 10.053 0.755 694 HB3 GLU 99 2HB GLU 99 -14.889 9.328 1.962 695 HG2 GLU 99 1HG GLU 99 -14.289 11.549 2.778 696 HG3 GLU 99 2HG GLU 99 -15.343 12.277 1.568 697 H GLN 100 H GLN 100 -14.952 10.344 -1.931 698 HA GLN 100 HA GLN 100 -14.727 13.260 -2.189 699 HB2 GLN 100 1HB GLN 100 -12.907 11.965 -3.448 700 HB3 GLN 100 2HB GLN 100 -14.197 11.417 -4.509 701 HG2 GLN 100 1HG GLN 100 -14.741 13.876 -4.855 702 HG3 GLN 100 2HG GLN 100 -13.186 14.207 -4.093 703 HE21 GLN 100 1HE2 GLN 100 -11.828 14.787 -5.630 704 HE22 GLN 100 2HE2 GLN 100 -11.588 13.969 -7.133 705 H SER 101 H SER 101 -16.046 10.373 -3.816 706 HA SER 101 HA SER 101 -18.705 11.522 -3.737 707 HB2 SER 101 1HB SER 101 -17.645 12.439 -5.824 708 HB3 SER 101 2HB SER 101 -17.491 10.783 -6.408 709 HG SER 101 HG SER 101 -19.430 12.009 -7.068 710 H GLY 102 H GLY 102 -20.033 9.941 -3.163 711 HA2 GLY 102 1HA GLY 102 -19.365 7.286 -2.848 712 HA3 GLY 102 2HA GLY 102 -21.015 7.867 -3.024 713 HA PRO 103 HA PRO 103 -19.320 5.458 -6.845 714 HB2 PRO 103 1HB PRO 103 -19.837 2.885 -6.148 715 HB3 PRO 103 2HB PRO 103 -18.280 3.667 -5.851 716 HG2 PRO 103 1HG PRO 103 -20.563 3.218 -3.968 717 HG3 PRO 103 2HG PRO 103 -18.824 3.013 -3.687 718 HD2 PRO 103 1HD PRO 103 -20.188 5.197 -2.848 719 HD3 PRO 103 2HD PRO 103 -18.486 5.268 -3.347 720 H SER 104 H SER 104 -22.039 4.736 -4.692 721 HA SER 104 HA SER 104 -23.795 3.554 -6.454 722 HB2 SER 104 1HB SER 104 -24.277 5.407 -4.125 723 HB3 SER 104 2HB SER 104 -25.606 4.679 -5.026 724 HG SER 104 HG SER 104 -23.576 2.986 -4.150 725 H SER 105 H SER 105 -24.039 4.281 -8.488 726 HA SER 105 HA SER 105 -24.767 7.112 -8.857 727 HB2 SER 105 1HB SER 105 -23.890 6.968 -11.106 728 HB3 SER 105 2HB SER 105 -22.663 6.368 -9.990 729 HG SER 105 HG SER 105 -22.725 4.837 -11.515 730 H GLY 106 H GLY 106 -26.145 7.427 -10.909 731 HA2 GLY 106 1HA GLY 106 -27.986 6.861 -12.216 732 HA3 GLY 106 2HA GLY 106 -27.948 5.246 -11.524 Start of MODEL 17 1 H1 GLY 1 H GLY 1 12.956 -15.783 15.172 2 HA2 GLY 1 1HA GLY 1 12.027 -16.054 17.840 3 HA3 GLY 1 2HA GLY 1 10.732 -16.418 16.710 4 H SER 2 H SER 2 14.216 -17.149 16.962 5 HA SER 2 HA SER 2 15.379 -19.084 16.674 6 HB2 SER 2 1HB SER 2 12.825 -20.090 17.915 7 HB3 SER 2 2HB SER 2 14.133 -21.193 17.487 8 HG SER 2 HG SER 2 14.514 -18.903 19.109 9 H SER 3 H SER 3 14.263 -18.111 14.358 10 HA SER 3 HA SER 3 13.730 -20.599 12.892 11 HB2 SER 3 1HB SER 3 12.140 -18.052 12.812 12 HB3 SER 3 2HB SER 3 12.216 -19.096 11.393 13 HG SER 3 HG SER 3 11.196 -19.685 13.963 14 H GLY 4 H GLY 4 14.622 -20.728 10.849 15 HA2 GLY 4 1HA GLY 4 16.875 -19.026 10.364 16 HA3 GLY 4 2HA GLY 4 16.330 -20.350 9.345 17 H SER 5 H SER 5 17.211 -17.522 8.782 18 HA SER 5 HA SER 5 14.795 -16.588 7.383 19 HB2 SER 5 1HB SER 5 17.274 -15.068 8.222 20 HB3 SER 5 2HB SER 5 15.958 -14.381 7.270 21 HG SER 5 HG SER 5 15.044 -13.991 9.110 22 H SER 6 H SER 6 14.728 -16.991 5.285 23 HA SER 6 HA SER 6 17.268 -17.280 3.820 24 HB2 SER 6 1HB SER 6 15.997 -18.672 2.215 25 HB3 SER 6 2HB SER 6 15.949 -19.337 3.847 26 HG SER 6 HG SER 6 13.866 -19.039 3.896 27 H GLY 7 H GLY 7 17.724 -15.440 2.792 28 HA2 GLY 7 1HA GLY 7 17.241 -14.196 0.744 29 HA3 GLY 7 2HA GLY 7 15.555 -14.173 1.239 30 HA PRO 8 HA PRO 8 17.486 -10.129 2.435 31 HB2 PRO 8 1HB PRO 8 15.470 -8.603 1.447 32 HB3 PRO 8 2HB PRO 8 16.835 -9.144 0.464 33 HG2 PRO 8 1HG PRO 8 14.072 -10.280 0.657 34 HG3 PRO 8 2HG PRO 8 15.071 -10.007 -0.782 35 HD2 PRO 8 1HD PRO 8 14.810 -12.444 0.368 36 HD3 PRO 8 2HD PRO 8 16.299 -11.929 -0.449 37 H LYS 9 H LYS 9 16.390 -8.327 3.708 38 HA LYS 9 HA LYS 9 14.562 -9.558 5.647 39 HB2 LYS 9 1HB LYS 9 16.589 -7.358 5.811 40 HB3 LYS 9 2HB LYS 9 15.273 -7.415 6.976 41 HG2 LYS 9 1HG LYS 9 17.031 -8.531 8.021 42 HG3 LYS 9 2HG LYS 9 15.993 -9.823 7.413 43 HD2 LYS 9 1HD LYS 9 18.140 -10.515 6.818 44 HD3 LYS 9 2HD LYS 9 17.516 -9.784 5.338 45 HE2 LYS 9 1HE LYS 9 19.645 -8.880 5.501 46 HE3 LYS 9 2HE LYS 9 18.634 -7.624 6.214 47 HZ1 LYS 9 1HZ LYS 9 19.926 -9.696 7.880 48 HZ2 LYS 9 2HZ LYS 9 19.316 -8.191 8.354 49 HZ3 LYS 9 3HZ LYS 9 20.741 -8.278 7.447 50 HA PRO 10 HA PRO 10 11.188 -6.979 4.532 51 HB2 PRO 10 1HB PRO 10 9.980 -6.631 6.939 52 HB3 PRO 10 2HB PRO 10 9.938 -8.162 6.055 53 HG2 PRO 10 1HG PRO 10 11.696 -7.338 8.334 54 HG3 PRO 10 2HG PRO 10 10.861 -8.879 8.065 55 HD2 PRO 10 1HD PRO 10 13.496 -8.538 7.539 56 HD3 PRO 10 2HD PRO 10 12.469 -9.638 6.597 57 HA PRO 11 HA PRO 11 12.388 -2.780 5.175 58 HB2 PRO 11 1HB PRO 11 10.085 -1.562 4.411 59 HB3 PRO 11 2HB PRO 11 11.203 -2.308 3.264 60 HG2 PRO 11 1HG PRO 11 8.663 -3.397 4.412 61 HG3 PRO 11 2HG PRO 11 9.256 -3.467 2.743 62 HD2 PRO 11 1HD PRO 11 9.463 -5.558 4.450 63 HD3 PRO 11 2HD PRO 11 10.665 -5.237 3.183 64 H ILE 12 H ILE 12 12.112 -1.065 6.611 65 HA ILE 12 HA ILE 12 10.117 -1.501 8.737 66 HB ILE 12 HB ILE 12 11.700 -0.479 10.321 67 HG12 ILE 12 1HG1 ILE 12 13.740 -0.688 8.100 68 HG13 ILE 12 2HG1 ILE 12 12.953 0.817 8.564 69 HG21 ILE 12 1HG2 ILE 12 12.637 -2.468 10.798 70 HG22 ILE 12 2HG2 ILE 12 11.656 -3.036 9.448 71 HG23 ILE 12 3HG2 ILE 12 13.354 -2.633 9.196 72 HD11 ILE 12 1HD1 ILE 12 15.218 -0.504 9.735 73 HD12 ILE 12 2HD1 ILE 12 14.591 1.121 10.017 74 HD13 ILE 12 3HD1 ILE 12 13.954 -0.242 10.936 75 H ASP 13 H ASP 13 9.809 0.587 10.066 76 HA ASP 13 HA ASP 13 9.099 2.747 10.187 77 HB2 ASP 13 1HB ASP 13 11.477 3.029 9.071 78 HB3 ASP 13 2HB ASP 13 10.521 3.485 7.663 79 H LEU 14 H LEU 14 7.685 0.704 8.636 80 HA LEU 14 HA LEU 14 6.577 1.879 6.299 81 HB2 LEU 14 1HB LEU 14 6.615 -0.604 7.184 82 HB3 LEU 14 2HB LEU 14 5.070 -0.136 7.892 83 HG LEU 14 HG LEU 14 4.260 0.452 5.624 84 HD11 LEU 14 1HD1 LEU 14 7.015 0.170 4.981 85 HD12 LEU 14 2HD1 LEU 14 5.685 0.689 3.946 86 HD13 LEU 14 3HD1 LEU 14 6.098 -1.022 4.059 87 HD21 LEU 14 1HD2 LEU 14 4.381 -1.982 6.814 88 HD22 LEU 14 2HD2 LEU 14 5.141 -2.325 5.260 89 HD23 LEU 14 3HD2 LEU 14 3.515 -1.644 5.315 90 H VAL 15 H VAL 15 5.519 3.758 6.424 91 HA VAL 15 HA VAL 15 3.151 3.895 8.115 92 HB VAL 15 HB VAL 15 4.865 6.332 8.118 93 HG11 VAL 15 1HG1 VAL 15 3.749 5.929 10.612 94 HG12 VAL 15 2HG1 VAL 15 3.100 6.955 9.332 95 HG13 VAL 15 3HG1 VAL 15 2.534 5.293 9.504 96 HG21 VAL 15 1HG2 VAL 15 5.870 5.489 10.291 97 HG22 VAL 15 2HG2 VAL 15 5.361 3.878 9.785 98 HG23 VAL 15 3HG2 VAL 15 6.510 4.788 8.805 99 H VAL 16 H VAL 16 1.764 5.764 7.553 100 HA VAL 16 HA VAL 16 1.954 6.318 4.675 101 HB VAL 16 HB VAL 16 -0.425 6.485 6.529 102 HG11 VAL 16 1HG1 VAL 16 -0.083 7.167 3.628 103 HG12 VAL 16 2HG1 VAL 16 -1.652 6.700 4.287 104 HG13 VAL 16 3HG1 VAL 16 -0.820 8.125 4.911 105 HG21 VAL 16 1HG2 VAL 16 0.004 4.211 6.164 106 HG22 VAL 16 2HG2 VAL 16 -1.229 4.622 4.971 107 HG23 VAL 16 3HG2 VAL 16 0.458 4.476 4.480 108 H THR 17 H THR 17 1.788 8.388 3.860 109 HA THR 17 HA THR 17 1.939 10.569 5.839 110 HB THR 17 HB THR 17 4.098 9.984 4.559 111 HG1 THR 17 1HG THR 17 4.457 12.337 4.245 112 HG21 THR 17 1HG2 THR 17 4.286 11.072 2.349 113 HG22 THR 17 2HG2 THR 17 2.554 11.401 2.383 114 HG23 THR 17 3HG2 THR 17 3.135 9.737 2.343 115 H GLU 18 H GLU 18 0.841 9.536 2.665 116 HA GLU 18 HA GLU 18 -1.042 11.795 2.659 117 HB2 GLU 18 1HB GLU 18 0.846 10.929 0.530 118 HB3 GLU 18 2HB GLU 18 -0.755 11.450 0.024 119 HG2 GLU 18 1HG GLU 18 0.771 13.174 1.903 120 HG3 GLU 18 2HG GLU 18 1.243 13.140 0.205 121 H THR 19 H THR 19 -3.098 11.361 1.937 122 HA THR 19 HA THR 19 -3.685 8.661 0.965 123 HB THR 19 HB THR 19 -5.796 8.874 2.556 124 HG1 THR 19 1HG THR 19 -3.850 10.007 4.254 125 HG21 THR 19 1HG2 THR 19 -3.739 7.213 2.475 126 HG22 THR 19 2HG2 THR 19 -4.858 7.220 3.838 127 HG23 THR 19 3HG2 THR 19 -3.306 8.047 3.966 128 H THR 20 H THR 20 -4.793 8.874 -0.855 129 HA THR 20 HA THR 20 -6.497 11.241 -1.219 130 HB THR 20 HB THR 20 -5.873 9.437 -3.505 131 HG1 THR 20 1HG THR 20 -3.877 9.893 -2.214 132 HG21 THR 20 1HG2 THR 20 -5.442 12.067 -4.220 133 HG22 THR 20 2HG2 THR 20 -6.743 12.179 -3.033 134 HG23 THR 20 3HG2 THR 20 -6.936 11.162 -4.461 135 H ALA 21 H ALA 21 -8.497 10.911 -2.506 136 HA ALA 21 HA ALA 21 -10.189 9.038 -1.300 137 HB1 ALA 21 1HB ALA 21 -11.265 10.906 -2.158 138 HB2 ALA 21 2HB ALA 21 -10.448 10.785 -3.718 139 HB3 ALA 21 3HB ALA 21 -11.717 9.635 -3.294 140 H THR 22 H THR 22 -8.262 8.867 -4.213 141 HA THR 22 HA THR 22 -9.087 6.060 -4.527 142 HB THR 22 HB THR 22 -8.818 6.317 -6.994 143 HG1 THR 22 1HG THR 22 -8.295 8.209 -7.825 144 HG21 THR 22 1HG2 THR 22 -11.035 6.535 -7.045 145 HG22 THR 22 2HG2 THR 22 -10.910 8.253 -6.665 146 HG23 THR 22 3HG2 THR 22 -10.987 7.065 -5.364 147 H SER 23 H SER 23 -6.719 7.610 -3.359 148 HA SER 23 HA SER 23 -4.693 5.831 -4.418 149 HB2 SER 23 1HB SER 23 -4.109 8.793 -4.403 150 HB3 SER 23 2HB SER 23 -3.132 7.495 -5.091 151 HG SER 23 HG SER 23 -5.703 8.288 -6.002 152 H VAL 24 H VAL 24 -2.566 6.194 -3.194 153 HA VAL 24 HA VAL 24 -2.758 7.434 -0.607 154 HB VAL 24 HB VAL 24 -3.928 5.507 0.071 155 HG11 VAL 24 1HG1 VAL 24 -2.249 3.323 -0.581 156 HG12 VAL 24 2HG1 VAL 24 -3.890 3.649 -1.142 157 HG13 VAL 24 3HG1 VAL 24 -2.507 4.256 -2.054 158 HG21 VAL 24 1HG2 VAL 24 -2.054 6.127 1.540 159 HG22 VAL 24 2HG2 VAL 24 -2.416 4.403 1.616 160 HG23 VAL 24 3HG2 VAL 24 -1.024 4.972 0.693 161 H THR 25 H THR 25 -0.763 7.471 0.519 162 HA THR 25 HA THR 25 1.545 6.710 -1.149 163 HB THR 25 HB THR 25 1.450 8.947 0.882 164 HG1 THR 25 1HG THR 25 0.131 9.372 -0.974 165 HG21 THR 25 1HG2 THR 25 3.687 8.178 0.604 166 HG22 THR 25 2HG2 THR 25 3.532 9.650 -0.355 167 HG23 THR 25 3HG2 THR 25 3.502 8.074 -1.146 168 H LEU 26 H LEU 26 3.322 5.752 -0.186 169 HA LEU 26 HA LEU 26 3.081 5.059 2.660 170 HB2 LEU 26 1HB LEU 26 2.373 3.224 1.010 171 HB3 LEU 26 2HB LEU 26 4.088 3.104 0.619 172 HG LEU 26 HG LEU 26 4.485 2.646 3.075 173 HD11 LEU 26 1HD1 LEU 26 2.646 1.926 4.426 174 HD12 LEU 26 2HD1 LEU 26 1.516 2.135 3.088 175 HD13 LEU 26 3HD1 LEU 26 2.286 3.543 3.820 176 HD21 LEU 26 1HD2 LEU 26 4.052 0.328 2.844 177 HD22 LEU 26 2HD2 LEU 26 4.401 0.936 1.225 178 HD23 LEU 26 3HD2 LEU 26 2.734 0.615 1.707 179 H THR 27 H THR 27 4.946 5.100 3.811 180 HA THR 27 HA THR 27 7.443 5.592 2.325 181 HB THR 27 HB THR 27 8.162 7.160 4.042 182 HG1 THR 27 1HG THR 27 6.746 6.116 5.700 183 HG21 THR 27 1HG2 THR 27 6.920 8.052 2.126 184 HG22 THR 27 2HG2 THR 27 6.607 8.994 3.583 185 HG23 THR 27 3HG2 THR 27 5.407 7.838 3.005 186 H TRP 28 H TRP 28 9.303 4.666 3.124 187 HA TRP 28 HA TRP 28 9.432 3.406 5.682 188 HB2 TRP 28 1HB TRP 28 9.508 1.107 5.016 189 HB3 TRP 28 2HB TRP 28 8.023 1.792 4.361 190 HD1 TRP 28 HD TRP 28 11.486 0.556 3.250 191 HE1 TRP 28 1HE TRP 28 11.401 0.057 0.726 192 HE3 TRP 28 3HE TRP 28 6.812 2.354 2.225 193 HZ2 TRP 28 2HZ TRP 28 9.592 0.384 -1.416 194 HZ3 TRP 28 3HZ TRP 28 5.979 2.224 -0.087 195 HH2 TRP 28 HH TRP 28 7.342 1.260 -1.868 196 H ASP 29 H ASP 29 11.489 1.969 5.779 197 HA ASP 29 HA ASP 29 13.585 3.324 4.214 198 HB2 ASP 29 1HB ASP 29 13.398 3.520 6.837 199 HB3 ASP 29 2HB ASP 29 14.179 1.941 6.798 200 H SER 30 H SER 30 15.386 2.097 3.509 201 HA SER 30 HA SER 30 14.884 -0.264 2.249 202 HB2 SER 30 1HB SER 30 17.474 0.836 3.333 203 HB3 SER 30 2HB SER 30 17.416 -0.651 2.387 204 HG SER 30 HG SER 30 17.557 1.758 1.447 205 H GLY 31 H GLY 31 16.414 0.074 5.450 206 HA2 GLY 31 1HA GLY 31 16.238 -1.334 7.285 207 HA3 GLY 31 2HA GLY 31 15.196 -2.386 6.338 208 H ASN 32 H ASN 32 17.444 -2.260 4.218 209 HA ASN 32 HA ASN 32 19.107 -4.343 5.473 210 HB2 ASN 32 1HB ASN 32 17.951 -4.079 2.724 211 HB3 ASN 32 2HB ASN 32 19.457 -4.966 2.940 212 HD21 ASN 32 1HD2 ASN 32 16.067 -4.833 3.770 213 HD22 ASN 32 2HD2 ASN 32 15.921 -6.486 4.250 214 H SER 33 H SER 33 21.323 -4.507 4.735 215 HA SER 33 HA SER 33 22.473 -1.863 4.279 216 HB2 SER 33 1HB SER 33 23.588 -4.485 5.252 217 HB3 SER 33 2HB SER 33 24.654 -3.175 4.744 218 HG SER 33 HG SER 33 23.522 -3.474 7.085 219 H GLU 34 H GLU 34 22.147 -4.980 2.741 220 HA GLU 34 HA GLU 34 24.043 -4.381 0.649 221 HB2 GLU 34 1HB GLU 34 23.526 -6.531 -0.232 222 HB3 GLU 34 2HB GLU 34 23.575 -6.700 1.517 223 HG2 GLU 34 1HG GLU 34 21.074 -6.463 1.504 224 HG3 GLU 34 2HG GLU 34 21.151 -6.590 -0.252 225 HA PRO 35 HA PRO 35 21.327 -2.298 -2.109 226 HB2 PRO 35 1HB PRO 35 22.489 -2.940 -4.478 227 HB3 PRO 35 2HB PRO 35 23.199 -1.788 -3.341 228 HG2 PRO 35 1HG PRO 35 23.861 -4.675 -3.775 229 HG3 PRO 35 2HG PRO 35 24.955 -3.300 -3.537 230 HD2 PRO 35 1HD PRO 35 24.332 -5.028 -1.547 231 HD3 PRO 35 2HD PRO 35 24.675 -3.311 -1.249 232 H VAL 36 H VAL 36 19.445 -3.586 -1.712 233 HA VAL 36 HA VAL 36 18.954 -6.065 -2.981 234 HB VAL 36 HB VAL 36 16.843 -4.092 -2.117 235 HG11 VAL 36 1HG1 VAL 36 16.916 -6.998 -2.748 236 HG12 VAL 36 2HG1 VAL 36 15.811 -6.438 -1.491 237 HG13 VAL 36 3HG1 VAL 36 15.689 -5.789 -3.127 238 HG21 VAL 36 1HG2 VAL 36 18.852 -5.409 -0.529 239 HG22 VAL 36 2HG2 VAL 36 17.626 -4.239 -0.039 240 HG23 VAL 36 3HG2 VAL 36 17.239 -5.959 -0.075 241 H THR 37 H THR 37 17.304 -6.469 -4.633 242 HA THR 37 HA THR 37 17.778 -4.903 -6.962 243 HB THR 37 HB THR 37 15.690 -7.053 -6.558 244 HG1 THR 37 1HG THR 37 17.499 -8.230 -7.764 245 HG21 THR 37 1HG2 THR 37 15.490 -5.518 -8.571 246 HG22 THR 37 2HG2 THR 37 15.611 -7.243 -8.918 247 HG23 THR 37 3HG2 THR 37 17.019 -6.201 -9.123 248 H TYR 38 H TYR 38 14.695 -5.673 -5.334 249 HA TYR 38 HA TYR 38 13.820 -2.933 -5.523 250 HB2 TYR 38 1HB TYR 38 12.032 -3.204 -7.031 251 HB3 TYR 38 2HB TYR 38 13.387 -4.015 -7.807 252 HD1 TYR 38 2HD TYR 38 13.538 -6.550 -7.603 253 HD2 TYR 38 1HD TYR 38 10.033 -4.356 -6.600 254 HE1 TYR 38 2HE TYR 38 12.202 -8.606 -7.798 255 HE2 TYR 38 1HE TYR 38 8.688 -6.405 -6.791 256 HH TYR 38 HH TYR 38 9.542 -9.029 -8.337 257 H TYR 39 H TYR 39 11.511 -2.731 -4.703 258 HA TYR 39 HA TYR 39 11.023 -4.774 -2.634 259 HB2 TYR 39 1HB TYR 39 10.759 -1.772 -2.493 260 HB3 TYR 39 2HB TYR 39 10.006 -2.843 -1.317 261 HD1 TYR 39 1HD TYR 39 13.325 -2.065 -2.831 262 HD2 TYR 39 2HD TYR 39 11.199 -3.489 0.568 263 HE1 TYR 39 1HE TYR 39 15.424 -2.121 -1.550 264 HE2 TYR 39 2HE TYR 39 13.291 -3.549 1.859 265 HH TYR 39 HH TYR 39 16.358 -2.464 0.439 266 H GLY 40 H GLY 40 9.279 -5.912 -3.165 267 HA2 GLY 40 1HA GLY 40 7.269 -4.984 -4.948 268 HA3 GLY 40 2HA GLY 40 7.201 -6.455 -3.988 269 H ILE 41 H ILE 41 4.881 -5.241 -4.286 270 HA ILE 41 HA ILE 41 4.341 -4.196 -1.614 271 HB ILE 41 HB ILE 41 3.426 -2.792 -4.127 272 HG12 ILE 41 1HG1 ILE 41 5.201 -1.810 -1.882 273 HG13 ILE 41 2HG1 ILE 41 5.784 -2.356 -3.451 274 HG21 ILE 41 1HG2 ILE 41 2.117 -2.992 -1.682 275 HG22 ILE 41 2HG2 ILE 41 2.915 -1.421 -1.636 276 HG23 ILE 41 3HG2 ILE 41 1.810 -1.810 -2.954 277 HD11 ILE 41 1HD1 ILE 41 5.518 -0.318 -4.251 278 HD12 ILE 41 2HD1 ILE 41 3.792 -0.393 -3.894 279 HD13 ILE 41 3HD1 ILE 41 4.916 0.223 -2.684 280 H GLN 42 H GLN 42 2.471 -4.929 -0.775 281 HA GLN 42 HA GLN 42 0.524 -6.178 -2.589 282 HB2 GLN 42 1HB GLN 42 1.888 -7.368 -0.211 283 HB3 GLN 42 2HB GLN 42 0.231 -7.838 -0.564 284 HG2 GLN 42 1HG GLN 42 1.365 -9.453 -1.698 285 HG3 GLN 42 2HG GLN 42 1.192 -8.243 -2.968 286 HE21 GLN 42 1HE2 GLN 42 3.170 -10.327 -2.745 287 HE22 GLN 42 2HE2 GLN 42 4.711 -9.548 -2.696 288 H TYR 43 H TYR 43 -1.450 -5.394 -2.311 289 HA TYR 43 HA TYR 43 -2.299 -4.538 0.358 290 HB2 TYR 43 1HB TYR 43 -3.288 -2.475 -0.569 291 HB3 TYR 43 2HB TYR 43 -1.537 -2.502 -0.745 292 HD1 TYR 43 1HD TYR 43 -0.535 -2.969 -2.984 293 HD2 TYR 43 2HD TYR 43 -4.714 -2.361 -2.465 294 HE1 TYR 43 1HE TYR 43 -0.767 -2.549 -5.396 295 HE2 TYR 43 2HE TYR 43 -4.958 -1.940 -4.876 296 HH TYR 43 HH TYR 43 -2.326 -2.459 -7.108 297 H ARG 44 H ARG 44 -4.561 -4.544 0.684 298 HA ARG 44 HA ARG 44 -6.361 -5.327 -1.406 299 HB2 ARG 44 1HB ARG 44 -5.433 -7.506 -1.039 300 HB3 ARG 44 2HB ARG 44 -5.557 -7.327 0.706 301 HG2 ARG 44 1HG ARG 44 -7.377 -8.628 0.350 302 HG3 ARG 44 2HG ARG 44 -8.125 -7.046 0.118 303 HD2 ARG 44 1HD ARG 44 -7.021 -8.775 -2.092 304 HD3 ARG 44 2HD ARG 44 -8.722 -8.685 -1.641 305 HE ARG 44 HE ARG 44 -7.942 -6.092 -2.132 306 HH11 ARG 44 2HH1 ARG 44 -8.056 -9.079 -3.916 307 HH12 ARG 44 1HH1 ARG 44 -8.299 -8.307 -5.448 308 HH21 ARG 44 2HH2 ARG 44 -8.261 -5.063 -4.143 309 HH22 ARG 44 1HH2 ARG 44 -8.414 -6.022 -5.576 310 H ALA 45 H ALA 45 -8.463 -4.906 -0.883 311 HA ALA 45 HA ALA 45 -9.078 -3.132 1.134 312 HB1 ALA 45 1HB ALA 45 -10.503 -3.516 -0.815 313 HB2 ALA 45 2HB ALA 45 -10.959 -5.094 -0.174 314 HB3 ALA 45 3HB ALA 45 -11.423 -3.626 0.686 315 H ALA 46 H ALA 46 -8.857 -3.418 3.252 316 HA ALA 46 HA ALA 46 -8.525 -5.681 4.698 317 HB1 ALA 46 1HB ALA 46 -10.240 -3.572 5.918 318 HB2 ALA 46 2HB ALA 46 -8.858 -4.434 6.594 319 HB3 ALA 46 3HB ALA 46 -8.604 -3.156 5.406 320 H GLY 47 H GLY 47 -9.694 -7.397 5.299 321 HA2 GLY 47 1HA GLY 47 -11.753 -8.332 6.163 322 HA3 GLY 47 2HA GLY 47 -12.633 -7.209 5.137 323 H THR 48 H THR 48 -11.701 -7.502 2.694 324 HA THR 48 HA THR 48 -12.911 -9.554 1.510 325 HB THR 48 HB THR 48 -10.156 -8.623 0.679 326 HG1 THR 48 1HG THR 48 -12.760 -7.628 0.079 327 HG21 THR 48 1HG2 THR 48 -10.762 -10.614 -0.527 328 HG22 THR 48 2HG2 THR 48 -10.969 -9.231 -1.602 329 HG23 THR 48 3HG2 THR 48 -12.376 -9.981 -0.849 330 H GLU 49 H GLU 49 -9.656 -9.763 2.903 331 HA GLU 49 HA GLU 49 -8.338 -11.535 3.455 332 HB2 GLU 49 1HB GLU 49 -11.112 -12.516 3.938 333 HB3 GLU 49 2HB GLU 49 -9.798 -13.681 4.012 334 HG2 GLU 49 1HG GLU 49 -8.682 -12.035 5.623 335 HG3 GLU 49 2HG GLU 49 -10.270 -11.278 5.734 336 H GLY 50 H GLY 50 -8.779 -11.101 0.675 337 HA2 GLY 50 1HA GLY 50 -8.683 -13.871 -0.350 338 HA3 GLY 50 2HA GLY 50 -9.244 -12.497 -1.292 339 HA PRO 51 HA PRO 51 -4.881 -13.222 -2.542 340 HB2 PRO 51 1HB PRO 51 -5.310 -12.633 -5.157 341 HB3 PRO 51 2HB PRO 51 -5.593 -14.239 -4.475 342 HG2 PRO 51 1HG PRO 51 -7.556 -12.056 -5.057 343 HG3 PRO 51 2HG PRO 51 -7.698 -13.797 -5.358 344 HD2 PRO 51 1HD PRO 51 -8.870 -12.586 -3.239 345 HD3 PRO 51 2HD PRO 51 -8.273 -14.256 -3.174 346 H PHE 52 H PHE 52 -3.713 -11.535 -1.838 347 HA PHE 52 HA PHE 52 -4.483 -8.818 -2.209 348 HB2 PHE 52 1HB PHE 52 -2.093 -10.216 -1.078 349 HB3 PHE 52 2HB PHE 52 -1.982 -8.496 -1.441 350 HD1 PHE 52 2HD PHE 52 -4.507 -10.758 0.129 351 HD2 PHE 52 1HD PHE 52 -2.272 -7.145 0.377 352 HE1 PHE 52 2HE PHE 52 -5.589 -10.241 2.277 353 HE2 PHE 52 1HE PHE 52 -3.349 -6.621 2.527 354 HZ PHE 52 HZ PHE 52 -5.011 -8.170 3.479 355 H GLN 53 H GLN 53 -3.656 -7.262 -3.574 356 HA GLN 53 HA GLN 53 -2.983 -7.993 -6.165 357 HB2 GLN 53 1HB GLN 53 -2.556 -5.406 -4.674 358 HB3 GLN 53 2HB GLN 53 -2.216 -5.585 -6.390 359 HG2 GLN 53 1HG GLN 53 -4.878 -5.871 -5.022 360 HG3 GLN 53 2HG GLN 53 -4.373 -4.597 -6.132 361 HE21 GLN 53 1HE2 GLN 53 -3.686 -5.402 -8.324 362 HE22 GLN 53 2HE2 GLN 53 -4.650 -6.647 -9.034 363 H GLU 54 H GLU 54 -0.880 -6.882 -7.199 364 HA GLU 54 HA GLU 54 1.497 -7.411 -5.612 365 HB2 GLU 54 1HB GLU 54 1.004 -9.610 -6.523 366 HB3 GLU 54 2HB GLU 54 0.866 -8.939 -8.142 367 HG2 GLU 54 1HG GLU 54 3.238 -8.320 -8.074 368 HG3 GLU 54 2HG GLU 54 3.366 -9.041 -6.470 369 H VAL 55 H VAL 55 3.033 -5.974 -6.069 370 HA VAL 55 HA VAL 55 3.075 -4.726 -8.728 371 HB VAL 55 HB VAL 55 3.278 -3.212 -6.121 372 HG11 VAL 55 1HG1 VAL 55 4.743 -2.175 -7.659 373 HG12 VAL 55 2HG1 VAL 55 3.595 -2.355 -8.987 374 HG13 VAL 55 3HG1 VAL 55 3.260 -1.220 -7.679 375 HG21 VAL 55 1HG2 VAL 55 1.112 -3.436 -8.188 376 HG22 VAL 55 2HG2 VAL 55 0.999 -3.661 -6.442 377 HG23 VAL 55 3HG2 VAL 55 1.229 -2.045 -7.111 378 H ASP 56 H ASP 56 5.026 -4.839 -9.607 379 HA ASP 56 HA ASP 56 7.369 -4.975 -7.825 380 HB2 ASP 56 1HB ASP 56 8.441 -6.481 -9.422 381 HB3 ASP 56 2HB ASP 56 6.912 -7.160 -8.870 382 H GLY 57 H GLY 57 9.127 -3.745 -8.346 383 HA2 GLY 57 1HA GLY 57 10.422 -2.612 -10.109 384 HA3 GLY 57 2HA GLY 57 8.886 -2.083 -10.778 385 H VAL 58 H VAL 58 9.903 -2.095 -7.387 386 HA VAL 58 HA VAL 58 9.590 0.836 -7.384 387 HB VAL 58 HB VAL 58 9.251 -0.981 -5.000 388 HG11 VAL 58 1HG1 VAL 58 9.742 1.650 -4.992 389 HG12 VAL 58 2HG1 VAL 58 7.987 1.685 -5.172 390 HG13 VAL 58 3HG1 VAL 58 8.717 0.860 -3.795 391 HG21 VAL 58 1HG2 VAL 58 7.158 -1.457 -5.592 392 HG22 VAL 58 2HG2 VAL 58 6.815 0.229 -5.979 393 HG23 VAL 58 3HG2 VAL 58 7.545 -0.823 -7.192 394 H ALA 59 H ALA 59 11.816 1.110 -7.939 395 HA ALA 59 HA ALA 59 13.842 0.122 -6.121 396 HB1 ALA 59 1HB ALA 59 13.798 1.427 -8.752 397 HB2 ALA 59 2HB ALA 59 15.162 1.861 -7.722 398 HB3 ALA 59 3HB ALA 59 14.863 0.170 -8.123 399 H THR 60 H THR 60 11.755 1.998 -5.161 400 HA THR 60 HA THR 60 13.555 4.107 -4.164 401 HB THR 60 HB THR 60 11.388 5.492 -3.930 402 HG1 THR 60 1HG THR 60 10.502 3.998 -6.146 403 HG21 THR 60 1HG2 THR 60 12.530 6.590 -5.506 404 HG22 THR 60 2HG2 THR 60 11.620 5.665 -6.701 405 HG23 THR 60 3HG2 THR 60 13.196 5.092 -6.155 406 H THR 61 H THR 61 12.403 5.200 -2.163 407 HA THR 61 HA THR 61 11.797 3.004 -0.319 408 HB THR 61 HB THR 61 12.117 4.970 1.395 409 HG1 THR 61 1HG THR 61 12.400 6.725 0.140 410 HG21 THR 61 1HG2 THR 61 14.211 4.152 1.794 411 HG22 THR 61 2HG2 THR 61 14.679 4.216 0.095 412 HG23 THR 61 3HG2 THR 61 13.644 2.912 0.676 413 H ARG 62 H ARG 62 10.272 5.509 -2.001 414 HA ARG 62 HA ARG 62 7.930 5.315 -0.226 415 HB2 ARG 62 1HB ARG 62 8.938 7.536 -0.023 416 HB3 ARG 62 2HB ARG 62 8.861 7.743 -1.768 417 HG2 ARG 62 1HG ARG 62 6.517 7.902 -1.754 418 HG3 ARG 62 2HG ARG 62 6.406 7.279 -0.106 419 HD2 ARG 62 1HD ARG 62 6.104 9.531 0.246 420 HD3 ARG 62 2HD ARG 62 7.846 9.380 0.472 421 HE ARG 62 HE ARG 62 7.409 9.950 -2.212 422 HH11 ARG 62 2HH1 ARG 62 6.924 11.470 0.882 423 HH12 ARG 62 1HH1 ARG 62 7.091 13.080 0.264 424 HH21 ARG 62 2HH2 ARG 62 7.631 12.065 -3.038 425 HH22 ARG 62 1HH2 ARG 62 7.492 13.417 -1.966 426 H TYR 63 H TYR 63 6.108 4.651 -1.170 427 HA TYR 63 HA TYR 63 5.796 4.953 -4.067 428 HB2 TYR 63 1HB TYR 63 6.708 2.699 -3.691 429 HB3 TYR 63 2HB TYR 63 5.388 2.349 -2.581 430 HD1 TYR 63 1HD TYR 63 6.321 2.813 -6.097 431 HD2 TYR 63 2HD TYR 63 3.157 1.891 -3.406 432 HE1 TYR 63 1HE TYR 63 4.961 2.007 -7.981 433 HE2 TYR 63 2HE TYR 63 1.789 1.081 -5.282 434 HH TYR 63 HH TYR 63 1.780 0.548 -7.459 435 H SER 64 H SER 64 3.631 4.906 -4.803 436 HA SER 64 HA SER 64 1.625 5.224 -2.666 437 HB2 SER 64 1HB SER 64 0.546 6.949 -3.949 438 HB3 SER 64 2HB SER 64 2.258 7.358 -3.840 439 HG SER 64 HG SER 64 0.788 6.409 -6.041 440 H ILE 65 H ILE 65 -0.394 4.335 -2.979 441 HA ILE 65 HA ILE 65 -0.592 2.448 -5.227 442 HB ILE 65 HB ILE 65 -1.992 2.390 -2.552 443 HG12 ILE 65 1HG1 ILE 65 -0.602 0.128 -2.572 444 HG13 ILE 65 2HG1 ILE 65 0.425 1.041 -3.672 445 HG21 ILE 65 1HG2 ILE 65 -3.494 1.066 -3.511 446 HG22 ILE 65 2HG2 ILE 65 -2.633 1.135 -5.048 447 HG23 ILE 65 3HG2 ILE 65 -2.204 -0.087 -3.851 448 HD11 ILE 65 1HD1 ILE 65 -0.369 2.128 -0.997 449 HD12 ILE 65 2HD1 ILE 65 1.022 1.062 -1.202 450 HD13 ILE 65 3HD1 ILE 65 0.969 2.614 -2.038 451 H GLY 66 H GLY 66 -2.280 2.520 -6.615 452 HA2 GLY 66 1HA GLY 66 -4.419 4.475 -6.041 453 HA3 GLY 66 2HA GLY 66 -3.642 4.398 -7.615 454 H GLY 67 H GLY 67 -6.316 4.193 -7.577 455 HA2 GLY 67 1HA GLY 67 -7.810 2.822 -8.747 456 HA3 GLY 67 2HA GLY 67 -6.707 1.472 -8.529 457 H LEU 68 H LEU 68 -7.496 3.354 -5.754 458 HA LEU 68 HA LEU 68 -9.019 1.089 -4.693 459 HB2 LEU 68 1HB LEU 68 -7.982 3.465 -3.169 460 HB3 LEU 68 2HB LEU 68 -8.523 1.918 -2.521 461 HG LEU 68 HG LEU 68 -6.092 2.169 -4.276 462 HD11 LEU 68 1HD1 LEU 68 -5.256 3.411 -2.586 463 HD12 LEU 68 2HD1 LEU 68 -5.046 1.831 -1.832 464 HD13 LEU 68 3HD1 LEU 68 -6.442 2.826 -1.419 465 HD21 LEU 68 1HD2 LEU 68 -5.797 0.092 -2.479 466 HD22 LEU 68 2HD2 LEU 68 -6.256 -0.051 -4.176 467 HD23 LEU 68 3HD2 LEU 68 -7.501 0.018 -2.928 468 H SER 69 H SER 69 -10.760 1.766 -3.048 469 HA SER 69 HA SER 69 -12.510 3.693 -4.395 470 HB2 SER 69 1HB SER 69 -13.619 1.625 -4.184 471 HB3 SER 69 2HB SER 69 -13.029 1.376 -2.541 472 HG SER 69 HG SER 69 -15.173 2.020 -2.455 473 HA PRO 70 HA PRO 70 -12.156 6.657 -1.169 474 HB2 PRO 70 1HB PRO 70 -14.563 7.889 -1.409 475 HB3 PRO 70 2HB PRO 70 -13.252 8.106 -2.575 476 HG2 PRO 70 1HG PRO 70 -15.658 6.333 -2.740 477 HG3 PRO 70 2HG PRO 70 -14.936 7.358 -3.994 478 HD2 PRO 70 1HD PRO 70 -14.517 4.685 -3.876 479 HD3 PRO 70 2HD PRO 70 -13.292 5.818 -4.482 480 H PHE 71 H PHE 71 -12.454 6.630 0.976 481 HA PHE 71 HA PHE 71 -13.344 6.224 3.034 482 HB2 PHE 71 1HB PHE 71 -15.485 7.047 1.714 483 HB3 PHE 71 2HB PHE 71 -15.967 5.363 1.892 484 HD1 PHE 71 2HD PHE 71 -14.688 8.222 3.908 485 HD2 PHE 71 1HD PHE 71 -17.104 4.721 3.786 486 HE1 PHE 71 2HE PHE 71 -15.484 8.697 6.187 487 HE2 PHE 71 1HE PHE 71 -17.905 5.190 6.065 488 HZ PHE 71 HZ PHE 71 -17.095 7.180 7.269 489 H SER 72 H SER 72 -11.876 4.243 1.826 490 HA SER 72 HA SER 72 -13.191 1.822 2.857 491 HB2 SER 72 1HB SER 72 -12.250 0.496 1.057 492 HB3 SER 72 2HB SER 72 -13.179 1.824 0.362 493 HG SER 72 HG SER 72 -11.174 2.945 0.106 494 H GLU 73 H GLU 73 -11.666 0.114 3.491 495 HA GLU 73 HA GLU 73 -9.175 1.284 4.535 496 HB2 GLU 73 1HB GLU 73 -11.022 0.348 6.098 497 HB3 GLU 73 2HB GLU 73 -10.433 -1.229 5.593 498 HG2 GLU 73 1HG GLU 73 -9.177 -0.945 7.457 499 HG3 GLU 73 2HG GLU 73 -8.107 -0.190 6.277 500 H TYR 74 H TYR 74 -7.253 0.407 4.025 501 HA TYR 74 HA TYR 74 -7.206 -2.201 2.677 502 HB2 TYR 74 1HB TYR 74 -6.196 0.414 1.634 503 HB3 TYR 74 2HB TYR 74 -5.332 -1.062 1.219 504 HD1 TYR 74 1HD TYR 74 -8.662 0.570 1.049 505 HD2 TYR 74 2HD TYR 74 -6.118 -2.473 -0.489 506 HE1 TYR 74 1HE TYR 74 -10.276 0.143 -0.757 507 HE2 TYR 74 2HE TYR 74 -7.724 -2.909 -2.300 508 HH TYR 74 HH TYR 74 -9.554 -1.576 -3.498 509 H ALA 75 H ALA 75 -5.276 -3.368 2.889 510 HA ALA 75 HA ALA 75 -3.515 -2.390 5.037 511 HB1 ALA 75 1HB ALA 75 -2.954 -4.879 5.257 512 HB2 ALA 75 2HB ALA 75 -4.539 -4.340 5.816 513 HB3 ALA 75 3HB ALA 75 -4.382 -5.154 4.259 514 H PHE 76 H PHE 76 -1.711 -1.551 4.209 515 HA PHE 76 HA PHE 76 -0.546 -2.714 1.793 516 HB2 PHE 76 1HB PHE 76 0.243 -0.203 3.285 517 HB3 PHE 76 2HB PHE 76 0.844 -0.711 1.709 518 HD1 PHE 76 2HD PHE 76 -2.041 0.620 3.542 519 HD2 PHE 76 1HD PHE 76 -0.463 -0.416 -0.273 520 HE1 PHE 76 2HE PHE 76 -3.878 1.842 2.454 521 HE2 PHE 76 1HE PHE 76 -2.298 0.804 -1.367 522 HZ PHE 76 HZ PHE 76 -4.010 1.934 -0.003 523 H ARG 77 H ARG 77 1.656 -3.326 1.683 524 HA ARG 77 HA ARG 77 3.295 -3.426 4.029 525 HB2 ARG 77 1HB ARG 77 3.438 -6.003 3.893 526 HB3 ARG 77 2HB ARG 77 2.074 -5.282 4.738 527 HG2 ARG 77 1HG ARG 77 0.735 -5.553 2.650 528 HG3 ARG 77 2HG ARG 77 2.092 -6.451 1.967 529 HD2 ARG 77 1HD ARG 77 1.934 -8.040 3.859 530 HD3 ARG 77 2HD ARG 77 0.512 -7.170 4.433 531 HE ARG 77 HE ARG 77 -0.155 -7.800 1.897 532 HH11 ARG 77 2HH1 ARG 77 1.080 -9.671 4.560 533 HH12 ARG 77 1HH1 ARG 77 0.295 -11.135 4.066 534 HH21 ARG 77 2HH2 ARG 77 -1.193 -9.721 1.235 535 HH22 ARG 77 1HH2 ARG 77 -0.996 -11.162 2.174 536 H VAL 78 H VAL 78 5.254 -3.044 3.255 537 HA VAL 78 HA VAL 78 5.906 -3.796 0.513 538 HB VAL 78 HB VAL 78 7.549 -2.177 2.463 539 HG11 VAL 78 1HG1 VAL 78 7.829 -2.879 -0.426 540 HG12 VAL 78 2HG1 VAL 78 8.457 -1.339 0.166 541 HG13 VAL 78 3HG1 VAL 78 9.048 -2.855 0.848 542 HG21 VAL 78 1HG2 VAL 78 6.459 -0.602 0.363 543 HG22 VAL 78 2HG2 VAL 78 5.142 -1.487 1.131 544 HG23 VAL 78 3HG2 VAL 78 6.194 -0.455 2.100 545 H LEU 79 H LEU 79 7.840 -4.916 -0.030 546 HA LEU 79 HA LEU 79 9.237 -6.318 2.108 547 HB2 LEU 79 1HB LEU 79 8.952 -8.482 0.816 548 HB3 LEU 79 2HB LEU 79 7.564 -7.907 1.736 549 HG LEU 79 HG LEU 79 6.932 -6.856 -0.627 550 HD11 LEU 79 1HD1 LEU 79 8.212 -9.410 -1.509 551 HD12 LEU 79 2HD1 LEU 79 9.125 -7.902 -1.515 552 HD13 LEU 79 3HD1 LEU 79 7.653 -8.045 -2.476 553 HD21 LEU 79 1HD2 LEU 79 6.286 -9.691 -0.633 554 HD22 LEU 79 2HD2 LEU 79 5.229 -8.288 -0.478 555 HD23 LEU 79 3HD2 LEU 79 6.045 -8.938 0.944 556 H ALA 80 H ALA 80 11.276 -7.102 1.518 557 HA ALA 80 HA ALA 80 12.432 -5.767 -0.778 558 HB1 ALA 80 1HB ALA 80 13.475 -7.116 1.648 559 HB2 ALA 80 2HB ALA 80 14.524 -7.057 0.231 560 HB3 ALA 80 3HB ALA 80 13.911 -5.562 0.937 561 H VAL 81 H VAL 81 13.405 -6.749 -2.530 562 HA VAL 81 HA VAL 81 13.157 -9.665 -2.766 563 HB VAL 81 HB VAL 81 12.385 -7.825 -5.024 564 HG11 VAL 81 1HG1 VAL 81 12.281 -10.779 -4.541 565 HG12 VAL 81 2HG1 VAL 81 11.194 -10.014 -5.702 566 HG13 VAL 81 3HG1 VAL 81 12.940 -9.896 -5.918 567 HG21 VAL 81 1HG2 VAL 81 10.145 -7.938 -4.457 568 HG22 VAL 81 2HG2 VAL 81 10.373 -9.335 -3.406 569 HG23 VAL 81 3HG2 VAL 81 10.914 -7.741 -2.883 570 H ASN 82 H ASN 82 14.772 -10.654 -3.891 571 HA ASN 82 HA ASN 82 16.639 -9.052 -5.450 572 HB2 ASN 82 1HB ASN 82 18.597 -9.820 -4.234 573 HB3 ASN 82 2HB ASN 82 17.506 -8.994 -3.125 574 HD21 ASN 82 1HD2 ASN 82 18.422 -10.047 -1.359 575 HD22 ASN 82 2HD2 ASN 82 18.098 -11.709 -1.018 576 H SER 83 H SER 83 18.552 -10.732 -6.087 577 HA SER 83 HA SER 83 17.441 -12.497 -7.911 578 HB2 SER 83 1HB SER 83 20.185 -12.424 -6.651 579 HB3 SER 83 2HB SER 83 19.759 -13.556 -7.935 580 HG SER 83 HG SER 83 20.533 -11.850 -9.018 581 H ILE 84 H ILE 84 18.184 -12.955 -4.544 582 HA ILE 84 HA ILE 84 18.085 -15.803 -4.555 583 HB ILE 84 HB ILE 84 17.463 -14.111 -2.152 584 HG12 ILE 84 1HG1 ILE 84 19.409 -13.059 -3.070 585 HG13 ILE 84 2HG1 ILE 84 19.950 -14.085 -1.745 586 HG21 ILE 84 1HG2 ILE 84 18.394 -15.911 -0.914 587 HG22 ILE 84 2HG2 ILE 84 17.296 -16.618 -2.099 588 HG23 ILE 84 3HG2 ILE 84 19.037 -16.666 -2.372 589 HD11 ILE 84 1HD1 ILE 84 21.439 -14.238 -3.657 590 HD12 ILE 84 2HD1 ILE 84 20.649 -15.784 -3.344 591 HD13 ILE 84 3HD1 ILE 84 20.097 -14.764 -4.673 592 H GLY 85 H GLY 85 15.743 -13.282 -3.637 593 HA2 GLY 85 1HA GLY 85 13.472 -14.299 -4.676 594 HA3 GLY 85 2HA GLY 85 13.660 -15.247 -3.209 595 H ARG 86 H ARG 86 11.432 -13.979 -3.159 596 HA ARG 86 HA ARG 86 11.737 -11.299 -2.072 597 HB2 ARG 86 1HB ARG 86 9.157 -12.836 -2.253 598 HB3 ARG 86 2HB ARG 86 9.396 -11.094 -2.246 599 HG2 ARG 86 1HG ARG 86 9.916 -11.012 -4.460 600 HG3 ARG 86 2HG ARG 86 10.587 -12.645 -4.476 601 HD2 ARG 86 1HD ARG 86 7.651 -12.053 -4.159 602 HD3 ARG 86 2HD ARG 86 8.419 -12.351 -5.718 603 HE ARG 86 HE ARG 86 9.086 -14.473 -4.055 604 HH11 ARG 86 2HH1 ARG 86 6.226 -13.083 -5.472 605 HH12 ARG 86 1HH1 ARG 86 5.371 -14.589 -5.542 606 HH21 ARG 86 2HH2 ARG 86 7.972 -16.461 -4.142 607 HH22 ARG 86 1HH2 ARG 86 6.365 -16.509 -4.785 608 H GLY 87 H GLY 87 11.919 -10.883 0.028 609 HA2 GLY 87 1HA GLY 87 11.768 -13.016 1.953 610 HA3 GLY 87 2HA GLY 87 12.175 -11.339 2.283 611 HA PRO 88 HA PRO 88 7.925 -12.321 3.970 612 HB2 PRO 88 1HB PRO 88 8.457 -11.540 6.515 613 HB3 PRO 88 2HB PRO 88 8.745 -13.184 5.935 614 HG2 PRO 88 1HG PRO 88 10.684 -10.928 6.270 615 HG3 PRO 88 2HG PRO 88 10.877 -12.641 6.686 616 HD2 PRO 88 1HD PRO 88 11.925 -11.561 4.435 617 HD3 PRO 88 2HD PRO 88 11.363 -13.243 4.515 618 HA PRO 89 HA PRO 89 6.687 -8.106 3.568 619 HB2 PRO 89 1HB PRO 89 4.249 -8.252 4.752 620 HB3 PRO 89 2HB PRO 89 4.579 -8.919 3.149 621 HG2 PRO 89 1HG PRO 89 4.451 -10.317 5.793 622 HG3 PRO 89 2HG PRO 89 3.792 -10.823 4.227 623 HD2 PRO 89 1HD PRO 89 6.109 -11.811 5.221 624 HD3 PRO 89 2HD PRO 89 5.829 -11.603 3.481 625 H SER 90 H SER 90 6.329 -6.196 4.774 626 HA SER 90 HA SER 90 7.423 -6.309 7.460 627 HB2 SER 90 1HB SER 90 8.287 -4.598 5.967 628 HB3 SER 90 2HB SER 90 6.662 -3.967 5.697 629 HG SER 90 HG SER 90 7.964 -2.817 7.290 630 H GLU 91 H GLU 91 6.424 -4.998 9.200 631 HA GLU 91 HA GLU 91 4.028 -5.869 10.050 632 HB2 GLU 91 1HB GLU 91 3.822 -3.782 11.393 633 HB3 GLU 91 2HB GLU 91 5.414 -4.522 11.481 634 HG2 GLU 91 1HG GLU 91 6.015 -2.877 9.577 635 HG3 GLU 91 2HG GLU 91 4.575 -2.009 10.107 636 H ALA 92 H ALA 92 2.434 -6.101 8.522 637 HA ALA 92 HA ALA 92 1.570 -4.427 6.569 638 HB1 ALA 92 1HB ALA 92 -0.822 -5.359 7.481 639 HB2 ALA 92 2HB ALA 92 0.288 -6.261 6.448 640 HB3 ALA 92 3HB ALA 92 0.309 -6.511 8.194 641 H VAL 93 H VAL 93 0.613 -2.494 6.411 642 HA VAL 93 HA VAL 93 -0.375 -1.243 8.891 643 HB VAL 93 HB VAL 93 0.221 0.919 7.970 644 HG11 VAL 93 1HG1 VAL 93 2.742 -0.493 7.426 645 HG12 VAL 93 2HG1 VAL 93 2.378 0.774 8.599 646 HG13 VAL 93 3HG1 VAL 93 1.965 -0.904 8.954 647 HG21 VAL 93 1HG2 VAL 93 1.507 1.062 5.852 648 HG22 VAL 93 2HG2 VAL 93 1.162 -0.644 5.567 649 HG23 VAL 93 3HG2 VAL 93 -0.157 0.525 5.624 650 H ARG 94 H ARG 94 -2.424 -0.557 8.949 651 HA ARG 94 HA ARG 94 -4.020 -0.813 6.505 652 HB2 ARG 94 1HB ARG 94 -4.710 -0.813 9.433 653 HB3 ARG 94 2HB ARG 94 -5.946 -0.581 8.204 654 HG2 ARG 94 1HG ARG 94 -5.024 -2.762 7.185 655 HG3 ARG 94 2HG ARG 94 -4.279 -2.997 8.767 656 HD2 ARG 94 1HD ARG 94 -6.719 -2.428 9.604 657 HD3 ARG 94 2HD ARG 94 -7.152 -2.996 7.991 658 HE ARG 94 HE ARG 94 -6.810 -5.113 8.746 659 HH11 ARG 94 2HH1 ARG 94 -4.898 -2.943 10.685 660 HH12 ARG 94 1HH1 ARG 94 -4.306 -4.191 11.731 661 HH21 ARG 94 2HH2 ARG 94 -6.037 -6.764 10.116 662 HH22 ARG 94 1HH2 ARG 94 -4.954 -6.364 11.406 663 H ALA 95 H ALA 95 -4.498 0.959 5.403 664 HA ALA 95 HA ALA 95 -4.827 3.492 6.870 665 HB1 ALA 95 1HB ALA 95 -2.677 3.232 5.483 666 HB2 ALA 95 2HB ALA 95 -3.734 3.408 4.082 667 HB3 ALA 95 3HB ALA 95 -3.633 4.700 5.278 668 H ARG 96 H ARG 96 -6.778 4.348 6.629 669 HA ARG 96 HA ARG 96 -8.543 3.335 4.551 670 HB2 ARG 96 1HB ARG 96 -9.072 3.793 7.104 671 HB3 ARG 96 2HB ARG 96 -9.396 5.417 6.512 672 HG2 ARG 96 1HG ARG 96 -11.033 4.505 4.931 673 HG3 ARG 96 2HG ARG 96 -10.721 2.886 5.560 674 HD2 ARG 96 1HD ARG 96 -12.680 3.655 6.640 675 HD3 ARG 96 2HD ARG 96 -11.382 3.769 7.827 676 HE ARG 96 HE ARG 96 -11.785 6.205 6.377 677 HH11 ARG 96 2HH1 ARG 96 -12.891 4.287 9.063 678 HH12 ARG 96 1HH1 ARG 96 -13.529 5.642 9.936 679 HH21 ARG 96 2HH2 ARG 96 -12.620 7.996 7.516 680 HH22 ARG 96 1HH2 ARG 96 -13.375 7.751 9.055 681 H THR 97 H THR 97 -8.893 4.359 2.701 682 HA THR 97 HA THR 97 -7.659 6.852 2.107 683 HB THR 97 HB THR 97 -8.569 6.647 -0.086 684 HG1 THR 97 1HG THR 97 -10.278 4.574 0.852 685 HG21 THR 97 1HG2 THR 97 -7.307 4.423 1.216 686 HG22 THR 97 2HG2 THR 97 -7.115 4.997 -0.440 687 HG23 THR 97 3HG2 THR 97 -8.386 3.839 -0.050 688 H GLY 98 H GLY 98 -8.716 8.806 1.413 689 HA2 GLY 98 1HA GLY 98 -10.849 9.563 3.174 690 HA3 GLY 98 2HA GLY 98 -10.077 10.585 1.971 691 H GLU 99 H GLU 99 -12.645 11.007 2.160 692 HA GLU 99 HA GLU 99 -13.916 9.416 0.032 693 HB2 GLU 99 1HB GLU 99 -16.028 9.889 0.974 694 HB3 GLU 99 2HB GLU 99 -14.993 9.481 2.335 695 HG2 GLU 99 1HG GLU 99 -15.648 12.286 1.468 696 HG3 GLU 99 2HG GLU 99 -16.475 11.411 2.755 697 H GLN 100 H GLN 100 -14.981 10.460 -1.655 698 HA GLN 100 HA GLN 100 -15.261 13.271 -1.847 699 HB2 GLN 100 1HB GLN 100 -12.764 13.012 -2.069 700 HB3 GLN 100 2HB GLN 100 -13.055 12.117 -3.554 701 HG2 GLN 100 1HG GLN 100 -14.171 14.079 -4.507 702 HG3 GLN 100 2HG GLN 100 -13.838 14.974 -3.025 703 HE21 GLN 100 1HE2 GLN 100 -12.375 16.444 -3.552 704 HE22 GLN 100 2HE2 GLN 100 -10.889 16.137 -4.377 705 H SER 101 H SER 101 -16.654 13.794 -3.450 706 HA SER 101 HA SER 101 -18.306 13.418 -4.982 707 HB2 SER 101 1HB SER 101 -16.091 13.539 -6.325 708 HB3 SER 101 2HB SER 101 -16.296 11.799 -6.528 709 HG SER 101 HG SER 101 -17.330 13.577 -8.039 710 H GLY 102 H GLY 102 -18.393 11.593 -2.871 711 HA2 GLY 102 1HA GLY 102 -19.848 9.441 -4.145 712 HA3 GLY 102 2HA GLY 102 -18.414 8.923 -3.273 713 HA PRO 103 HA PRO 103 -21.165 8.551 0.178 714 HB2 PRO 103 1HB PRO 103 -19.275 7.922 2.021 715 HB3 PRO 103 2HB PRO 103 -19.864 6.769 0.818 716 HG2 PRO 103 1HG PRO 103 -17.366 8.418 0.797 717 HG3 PRO 103 2HG PRO 103 -17.587 6.717 0.349 718 HD2 PRO 103 1HD PRO 103 -17.424 8.699 -1.489 719 HD3 PRO 103 2HD PRO 103 -18.410 7.244 -1.739 720 H SER 104 H SER 104 -21.682 9.672 2.083 721 HA SER 104 HA SER 104 -19.992 11.962 2.787 722 HB2 SER 104 1HB SER 104 -22.940 12.104 2.121 723 HB3 SER 104 2HB SER 104 -22.042 13.402 2.908 724 HG SER 104 HG SER 104 -22.170 12.762 0.292 725 H SER 105 H SER 105 -20.806 13.028 4.839 726 HA SER 105 HA SER 105 -20.826 11.205 6.928 727 HB2 SER 105 1HB SER 105 -21.971 14.004 7.025 728 HB3 SER 105 2HB SER 105 -21.344 13.070 8.383 729 HG SER 105 HG SER 105 -19.358 13.060 6.835 730 H GLY 106 H GLY 106 -22.399 10.334 8.249 731 HA2 GLY 106 1HA GLY 106 -24.557 9.849 8.994 732 HA3 GLY 106 2HA GLY 106 -25.198 10.935 7.769 Start of MODEL 18 1 H1 GLY 1 H GLY 1 11.815 -15.357 17.182 2 HA2 GLY 1 1HA GLY 1 13.554 -16.636 19.190 3 HA3 GLY 1 2HA GLY 1 12.526 -17.617 18.155 4 H SER 2 H SER 2 15.074 -18.253 18.043 5 HA SER 2 HA SER 2 16.593 -16.752 16.149 6 HB2 SER 2 1HB SER 2 17.566 -18.276 17.904 7 HB3 SER 2 2HB SER 2 17.001 -19.642 16.943 8 HG SER 2 HG SER 2 19.220 -18.180 16.632 9 H SER 3 H SER 3 15.227 -16.512 14.349 10 HA SER 3 HA SER 3 14.419 -18.924 12.919 11 HB2 SER 3 1HB SER 3 12.916 -16.863 13.252 12 HB3 SER 3 2HB SER 3 13.916 -16.091 12.021 13 HG SER 3 HG SER 3 11.951 -17.950 11.742 14 H GLY 4 H GLY 4 15.277 -19.595 11.016 15 HA2 GLY 4 1HA GLY 4 17.898 -18.901 10.339 16 HA3 GLY 4 2HA GLY 4 16.794 -19.795 9.305 17 H SER 5 H SER 5 18.690 -18.023 8.294 18 HA SER 5 HA SER 5 17.304 -15.546 7.667 19 HB2 SER 5 1HB SER 5 20.033 -16.591 6.881 20 HB3 SER 5 2HB SER 5 19.397 -15.022 6.388 21 HG SER 5 HG SER 5 20.463 -15.799 8.777 22 H SER 6 H SER 6 15.721 -15.740 6.210 23 HA SER 6 HA SER 6 16.222 -17.371 3.810 24 HB2 SER 6 1HB SER 6 13.732 -17.372 3.550 25 HB3 SER 6 2HB SER 6 14.287 -18.157 5.028 26 HG SER 6 HG SER 6 13.518 -15.437 4.966 27 H GLY 7 H GLY 7 17.252 -15.881 2.520 28 HA2 GLY 7 1HA GLY 7 17.309 -14.248 0.897 29 HA3 GLY 7 2HA GLY 7 15.585 -14.016 1.148 30 HA PRO 8 HA PRO 8 17.663 -10.164 2.579 31 HB2 PRO 8 1HB PRO 8 15.762 -8.508 1.570 32 HB3 PRO 8 2HB PRO 8 17.119 -9.111 0.610 33 HG2 PRO 8 1HG PRO 8 14.291 -10.088 0.717 34 HG3 PRO 8 2HG PRO 8 15.340 -9.849 -0.693 35 HD2 PRO 8 1HD PRO 8 14.909 -12.286 0.407 36 HD3 PRO 8 2HD PRO 8 16.446 -11.844 -0.365 37 H LYS 9 H LYS 9 16.637 -8.322 3.855 38 HA LYS 9 HA LYS 9 14.738 -9.486 5.759 39 HB2 LYS 9 1HB LYS 9 16.585 -7.104 5.978 40 HB3 LYS 9 2HB LYS 9 15.457 -7.596 7.234 41 HG2 LYS 9 1HG LYS 9 17.567 -9.443 6.164 42 HG3 LYS 9 2HG LYS 9 17.869 -8.327 7.498 43 HD2 LYS 9 1HD LYS 9 15.510 -10.163 7.595 44 HD3 LYS 9 2HD LYS 9 17.117 -10.775 7.993 45 HE2 LYS 9 1HE LYS 9 16.215 -8.240 9.261 46 HE3 LYS 9 2HE LYS 9 15.518 -9.754 9.836 47 HZ1 LYS 9 1HZ LYS 9 17.319 -9.825 11.131 48 HZ2 LYS 9 2HZ LYS 9 18.173 -8.696 10.206 49 HZ3 LYS 9 3HZ LYS 9 18.149 -10.323 9.743 50 HA PRO 10 HA PRO 10 11.421 -6.882 4.528 51 HB2 PRO 10 1HB PRO 10 10.122 -6.579 6.892 52 HB3 PRO 10 2HB PRO 10 10.107 -8.090 5.975 53 HG2 PRO 10 1HG PRO 10 11.778 -7.325 8.338 54 HG3 PRO 10 2HG PRO 10 10.947 -8.855 8.004 55 HD2 PRO 10 1HD PRO 10 13.602 -8.517 7.589 56 HD3 PRO 10 2HD PRO 10 12.607 -9.591 6.584 57 HA PRO 11 HA PRO 11 12.590 -2.699 5.309 58 HB2 PRO 11 1HB PRO 11 10.301 -1.460 4.535 59 HB3 PRO 11 2HB PRO 11 11.440 -2.177 3.389 60 HG2 PRO 11 1HG PRO 11 8.879 -3.293 4.463 61 HG3 PRO 11 2HG PRO 11 9.502 -3.320 2.803 62 HD2 PRO 11 1HD PRO 11 9.677 -5.455 4.459 63 HD3 PRO 11 2HD PRO 11 10.902 -5.102 3.223 64 H ILE 12 H ILE 12 12.079 -0.862 6.637 65 HA ILE 12 HA ILE 12 10.145 -1.431 8.785 66 HB ILE 12 HB ILE 12 11.673 -0.328 10.380 67 HG12 ILE 12 1HG1 ILE 12 13.692 -0.472 8.131 68 HG13 ILE 12 2HG1 ILE 12 12.922 1.007 8.694 69 HG21 ILE 12 1HG2 ILE 12 13.535 -2.218 10.091 70 HG22 ILE 12 2HG2 ILE 12 11.906 -2.563 10.669 71 HG23 ILE 12 3HG2 ILE 12 12.322 -2.851 8.979 72 HD11 ILE 12 1HD1 ILE 12 14.660 1.228 10.052 73 HD12 ILE 12 2HD1 ILE 12 13.975 -0.099 10.991 74 HD13 ILE 12 3HD1 ILE 12 15.195 -0.426 9.761 75 H ASP 13 H ASP 13 10.096 0.784 10.201 76 HA ASP 13 HA ASP 13 9.144 2.852 10.282 77 HB2 ASP 13 1HB ASP 13 11.563 3.211 9.281 78 HB3 ASP 13 2HB ASP 13 10.660 3.677 7.842 79 H LEU 14 H LEU 14 7.617 0.964 8.923 80 HA LEU 14 HA LEU 14 6.666 2.058 6.441 81 HB2 LEU 14 1HB LEU 14 6.651 -0.408 7.343 82 HB3 LEU 14 2HB LEU 14 5.107 0.082 8.038 83 HG LEU 14 HG LEU 14 4.428 0.750 5.681 84 HD11 LEU 14 1HD1 LEU 14 6.005 -1.068 4.259 85 HD12 LEU 14 2HD1 LEU 14 7.133 -0.090 5.198 86 HD13 LEU 14 3HD1 LEU 14 5.988 0.689 4.106 87 HD21 LEU 14 1HD2 LEU 14 4.965 -2.178 5.781 88 HD22 LEU 14 2HD2 LEU 14 3.494 -1.314 5.333 89 HD23 LEU 14 3HD2 LEU 14 3.953 -1.454 7.031 90 H VAL 15 H VAL 15 5.600 3.932 6.475 91 HA VAL 15 HA VAL 15 3.196 4.134 8.103 92 HB VAL 15 HB VAL 15 4.955 6.543 8.113 93 HG11 VAL 15 1HG1 VAL 15 3.811 6.904 10.276 94 HG12 VAL 15 2HG1 VAL 15 2.690 6.757 8.921 95 HG13 VAL 15 3HG1 VAL 15 2.922 5.402 10.026 96 HG21 VAL 15 1HG2 VAL 15 6.066 5.848 10.145 97 HG22 VAL 15 2HG2 VAL 15 5.224 4.298 10.111 98 HG23 VAL 15 3HG2 VAL 15 6.405 4.688 8.861 99 H VAL 16 H VAL 16 1.703 5.709 7.349 100 HA VAL 16 HA VAL 16 2.046 6.314 4.512 101 HB VAL 16 HB VAL 16 -0.422 6.589 6.233 102 HG11 VAL 16 1HG1 VAL 16 -1.503 7.413 4.458 103 HG12 VAL 16 2HG1 VAL 16 0.100 7.749 3.801 104 HG13 VAL 16 3HG1 VAL 16 -0.745 6.267 3.353 105 HG21 VAL 16 1HG2 VAL 16 -1.141 4.496 5.460 106 HG22 VAL 16 2HG2 VAL 16 0.094 4.437 4.203 107 HG23 VAL 16 3HG2 VAL 16 0.550 4.248 5.896 108 H THR 17 H THR 17 2.128 8.334 3.677 109 HA THR 17 HA THR 17 2.201 10.558 5.606 110 HB THR 17 HB THR 17 4.314 10.087 4.348 111 HG1 THR 17 1HG THR 17 3.193 12.606 3.649 112 HG21 THR 17 1HG2 THR 17 3.536 11.397 1.907 113 HG22 THR 17 2HG2 THR 17 2.573 9.939 2.152 114 HG23 THR 17 3HG2 THR 17 4.333 9.841 2.132 115 H GLU 18 H GLU 18 0.710 9.353 2.718 116 HA GLU 18 HA GLU 18 -1.138 11.617 2.759 117 HB2 GLU 18 1HB GLU 18 0.577 10.795 0.447 118 HB3 GLU 18 2HB GLU 18 -1.024 11.453 0.143 119 HG2 GLU 18 1HG GLU 18 -0.464 13.506 1.222 120 HG3 GLU 18 2HG GLU 18 1.072 12.850 1.784 121 H THR 19 H THR 19 -3.215 11.117 2.164 122 HA THR 19 HA THR 19 -3.760 8.426 1.144 123 HB THR 19 HB THR 19 -5.782 8.555 2.886 124 HG1 THR 19 1HG THR 19 -4.593 9.279 4.921 125 HG21 THR 19 1HG2 THR 19 -4.732 6.612 3.257 126 HG22 THR 19 2HG2 THR 19 -3.809 7.473 4.488 127 HG23 THR 19 3HG2 THR 19 -3.157 7.297 2.859 128 H THR 20 H THR 20 -4.841 8.791 -0.677 129 HA THR 20 HA THR 20 -6.718 11.040 -0.813 130 HB THR 20 HB THR 20 -6.109 9.383 -3.214 131 HG1 THR 20 1HG THR 20 -4.246 10.879 -1.764 132 HG21 THR 20 1HG2 THR 20 -7.212 11.092 -4.127 133 HG22 THR 20 2HG2 THR 20 -5.856 12.135 -3.700 134 HG23 THR 20 3HG2 THR 20 -7.220 11.964 -2.595 135 H ALA 21 H ALA 21 -8.733 10.644 -2.118 136 HA ALA 21 HA ALA 21 -10.309 8.674 -0.904 137 HB1 ALA 21 1HB ALA 21 -11.346 10.639 -1.772 138 HB2 ALA 21 2HB ALA 21 -10.769 10.292 -3.402 139 HB3 ALA 21 3HB ALA 21 -11.990 9.258 -2.661 140 H THR 22 H THR 22 -8.521 8.682 -3.925 141 HA THR 22 HA THR 22 -9.174 5.828 -4.243 142 HB THR 22 HB THR 22 -9.188 6.059 -6.658 143 HG1 THR 22 1HG THR 22 -8.101 7.725 -7.391 144 HG21 THR 22 1HG2 THR 22 -11.015 7.847 -5.093 145 HG22 THR 22 2HG2 THR 22 -11.356 6.289 -5.845 146 HG23 THR 22 3HG2 THR 22 -11.162 7.728 -6.845 147 H SER 23 H SER 23 -6.874 7.284 -3.030 148 HA SER 23 HA SER 23 -4.797 5.707 -4.225 149 HB2 SER 23 1HB SER 23 -4.200 8.647 -4.189 150 HB3 SER 23 2HB SER 23 -3.417 7.362 -5.108 151 HG SER 23 HG SER 23 -5.651 8.857 -5.709 152 H VAL 24 H VAL 24 -2.662 6.112 -3.077 153 HA VAL 24 HA VAL 24 -2.772 7.399 -0.508 154 HB VAL 24 HB VAL 24 -2.706 4.384 -0.649 155 HG11 VAL 24 1HG1 VAL 24 -2.471 4.585 1.870 156 HG12 VAL 24 2HG1 VAL 24 -1.033 4.950 0.914 157 HG13 VAL 24 3HG1 VAL 24 -2.000 6.261 1.590 158 HG21 VAL 24 1HG2 VAL 24 -4.570 4.725 1.077 159 HG22 VAL 24 2HG2 VAL 24 -4.623 6.390 0.497 160 HG23 VAL 24 3HG2 VAL 24 -4.946 5.058 -0.613 161 H THR 25 H THR 25 -0.725 7.305 0.630 162 HA THR 25 HA THR 25 1.525 6.591 -1.137 163 HB THR 25 HB THR 25 1.437 8.900 0.814 164 HG1 THR 25 1HG THR 25 1.534 10.111 -1.235 165 HG21 THR 25 1HG2 THR 25 3.681 8.153 0.623 166 HG22 THR 25 2HG2 THR 25 3.538 9.546 -0.449 167 HG23 THR 25 3HG2 THR 25 3.529 7.915 -1.117 168 H LEU 26 H LEU 26 3.010 5.257 -0.317 169 HA LEU 26 HA LEU 26 2.961 4.753 2.586 170 HB2 LEU 26 1HB LEU 26 2.278 2.932 0.843 171 HB3 LEU 26 2HB LEU 26 4.018 2.774 0.614 172 HG LEU 26 HG LEU 26 4.240 2.259 3.031 173 HD11 LEU 26 1HD1 LEU 26 2.279 3.359 3.889 174 HD12 LEU 26 2HD1 LEU 26 2.190 1.639 4.265 175 HD13 LEU 26 3HD1 LEU 26 1.228 2.303 2.945 176 HD21 LEU 26 1HD2 LEU 26 2.387 0.172 2.402 177 HD22 LEU 26 2HD2 LEU 26 4.151 0.134 2.399 178 HD23 LEU 26 3HD2 LEU 26 3.275 0.629 0.949 179 H THR 27 H THR 27 4.829 4.851 3.713 180 HA THR 27 HA THR 27 7.307 5.342 2.192 181 HB THR 27 HB THR 27 7.941 7.097 3.539 182 HG1 THR 27 1HG THR 27 6.126 6.126 5.515 183 HG21 THR 27 1HG2 THR 27 4.923 7.212 3.622 184 HG22 THR 27 2HG2 THR 27 5.960 7.802 2.323 185 HG23 THR 27 3HG2 THR 27 6.000 8.579 3.905 186 H TRP 28 H TRP 28 9.229 4.536 3.060 187 HA TRP 28 HA TRP 28 9.345 3.193 5.570 188 HB2 TRP 28 1HB TRP 28 9.527 0.918 4.840 189 HB3 TRP 28 2HB TRP 28 8.030 1.564 4.174 190 HD1 TRP 28 HD TRP 28 11.560 0.498 3.100 191 HE1 TRP 28 1HE TRP 28 11.544 0.071 0.562 192 HE3 TRP 28 3HE TRP 28 6.838 2.139 2.031 193 HZ2 TRP 28 2HZ TRP 28 9.764 0.389 -1.607 194 HZ3 TRP 28 3HZ TRP 28 6.055 2.044 -0.299 195 HH2 TRP 28 HH TRP 28 7.490 1.187 -2.079 196 H ASP 29 H ASP 29 11.440 1.645 5.464 197 HA ASP 29 HA ASP 29 13.515 3.115 3.978 198 HB2 ASP 29 1HB ASP 29 13.322 3.562 6.532 199 HB3 ASP 29 2HB ASP 29 14.036 1.960 6.702 200 H SER 30 H SER 30 15.404 1.912 3.434 201 HA SER 30 HA SER 30 15.027 -0.536 2.305 202 HB2 SER 30 1HB SER 30 17.482 -0.813 2.332 203 HB3 SER 30 2HB SER 30 17.017 0.828 1.884 204 HG SER 30 HG SER 30 18.591 1.063 3.389 205 H GLY 31 H GLY 31 16.356 0.059 5.555 206 HA2 GLY 31 1HA GLY 31 16.195 -1.246 7.456 207 HA3 GLY 31 2HA GLY 31 15.178 -2.361 6.556 208 H ASN 32 H ASN 32 16.842 -3.109 4.499 209 HA ASN 32 HA ASN 32 18.737 -4.785 5.940 210 HB2 ASN 32 1HB ASN 32 18.966 -5.678 3.433 211 HB3 ASN 32 2HB ASN 32 17.644 -6.174 4.486 212 HD21 ASN 32 1HD2 ASN 32 15.614 -5.744 3.895 213 HD22 ASN 32 2HD2 ASN 32 15.162 -4.812 2.512 214 H SER 33 H SER 33 20.929 -5.041 5.269 215 HA SER 33 HA SER 33 22.089 -2.537 4.322 216 HB2 SER 33 1HB SER 33 22.876 -3.777 6.424 217 HB3 SER 33 2HB SER 33 23.615 -4.939 5.323 218 HG SER 33 HG SER 33 24.115 -2.197 4.985 219 H GLU 34 H GLU 34 21.556 -5.793 3.294 220 HA GLU 34 HA GLU 34 23.569 -5.902 1.287 221 HB2 GLU 34 1HB GLU 34 21.070 -7.480 1.830 222 HB3 GLU 34 2HB GLU 34 22.006 -7.749 0.366 223 HG2 GLU 34 1HG GLU 34 23.942 -8.358 1.652 224 HG3 GLU 34 2HG GLU 34 23.118 -7.946 3.155 225 HA PRO 35 HA PRO 35 21.788 -3.473 -1.913 226 HB2 PRO 35 1HB PRO 35 22.880 -4.686 -4.082 227 HB3 PRO 35 2HB PRO 35 23.811 -3.659 -2.986 228 HG2 PRO 35 1HG PRO 35 23.631 -6.645 -3.088 229 HG3 PRO 35 2HG PRO 35 25.058 -5.618 -2.864 230 HD2 PRO 35 1HD PRO 35 23.816 -6.856 -0.801 231 HD3 PRO 35 2HD PRO 35 24.622 -5.284 -0.625 232 H VAL 36 H VAL 36 19.587 -4.108 -1.610 233 HA VAL 36 HA VAL 36 18.553 -6.477 -2.859 234 HB VAL 36 HB VAL 36 16.813 -4.172 -2.071 235 HG11 VAL 36 1HG1 VAL 36 16.577 -7.111 -2.368 236 HG12 VAL 36 2HG1 VAL 36 15.612 -6.342 -1.107 237 HG13 VAL 36 3HG1 VAL 36 15.436 -5.834 -2.787 238 HG21 VAL 36 1HG2 VAL 36 16.844 -5.162 0.265 239 HG22 VAL 36 2HG2 VAL 36 18.329 -5.987 -0.212 240 HG23 VAL 36 3HG2 VAL 36 18.261 -4.224 -0.208 241 H THR 37 H THR 37 17.320 -6.643 -4.715 242 HA THR 37 HA THR 37 17.954 -4.827 -6.814 243 HB THR 37 HB THR 37 15.890 -7.038 -6.822 244 HG1 THR 37 1HG THR 37 18.344 -7.399 -6.388 245 HG21 THR 37 1HG2 THR 37 17.370 -6.263 -9.262 246 HG22 THR 37 2HG2 THR 37 16.160 -5.117 -8.685 247 HG23 THR 37 3HG2 THR 37 15.694 -6.774 -9.067 248 H TYR 38 H TYR 38 14.821 -5.740 -5.365 249 HA TYR 38 HA TYR 38 13.900 -3.000 -5.591 250 HB2 TYR 38 1HB TYR 38 12.027 -3.426 -6.989 251 HB3 TYR 38 2HB TYR 38 13.412 -4.140 -7.806 252 HD1 TYR 38 2HD TYR 38 13.707 -6.606 -7.806 253 HD2 TYR 38 1HD TYR 38 10.207 -4.770 -6.232 254 HE1 TYR 38 2HE TYR 38 12.531 -8.763 -7.921 255 HE2 TYR 38 1HE TYR 38 9.022 -6.922 -6.341 256 HH TYR 38 HH TYR 38 9.287 -9.159 -6.611 257 H TYR 39 H TYR 39 11.408 -3.037 -4.913 258 HA TYR 39 HA TYR 39 11.074 -4.937 -2.696 259 HB2 TYR 39 1HB TYR 39 10.696 -1.940 -2.550 260 HB3 TYR 39 2HB TYR 39 10.206 -3.069 -1.292 261 HD1 TYR 39 1HD TYR 39 13.250 -2.208 -3.289 262 HD2 TYR 39 2HD TYR 39 11.652 -3.387 0.474 263 HE1 TYR 39 1HE TYR 39 15.497 -2.068 -2.298 264 HE2 TYR 39 2HE TYR 39 13.895 -3.249 1.476 265 HH TYR 39 HH TYR 39 16.748 -2.725 -0.473 266 H GLY 40 H GLY 40 9.297 -6.058 -3.143 267 HA2 GLY 40 1HA GLY 40 7.268 -5.207 -4.916 268 HA3 GLY 40 2HA GLY 40 7.170 -6.584 -3.828 269 H ILE 41 H ILE 41 4.884 -5.327 -4.194 270 HA ILE 41 HA ILE 41 4.419 -4.051 -1.614 271 HB ILE 41 HB ILE 41 3.632 -2.785 -4.238 272 HG12 ILE 41 1HG1 ILE 41 5.354 -1.840 -1.938 273 HG13 ILE 41 2HG1 ILE 41 5.906 -2.262 -3.555 274 HG21 ILE 41 1HG2 ILE 41 1.856 -1.925 -3.225 275 HG22 ILE 41 2HG2 ILE 41 2.283 -2.742 -1.722 276 HG23 ILE 41 3HG2 ILE 41 2.925 -1.136 -2.066 277 HD11 ILE 41 1HD1 ILE 41 5.868 0.049 -3.579 278 HD12 ILE 41 2HD1 ILE 41 4.335 -0.382 -4.338 279 HD13 ILE 41 3HD1 ILE 41 4.370 0.135 -2.653 280 H GLN 42 H GLN 42 2.634 -4.821 -0.685 281 HA GLN 42 HA GLN 42 0.608 -6.095 -2.403 282 HB2 GLN 42 1HB GLN 42 1.659 -6.991 0.281 283 HB3 GLN 42 2HB GLN 42 0.197 -7.641 -0.449 284 HG2 GLN 42 1HG GLN 42 1.547 -8.355 -2.399 285 HG3 GLN 42 2HG GLN 42 2.992 -7.814 -1.547 286 HE21 GLN 42 1HE2 GLN 42 4.068 -9.467 -0.767 287 HE22 GLN 42 2HE2 GLN 42 3.389 -10.876 -0.034 288 H TYR 43 H TYR 43 -1.404 -5.361 -2.186 289 HA TYR 43 HA TYR 43 -2.354 -4.283 0.323 290 HB2 TYR 43 1HB TYR 43 -2.923 -2.093 -0.506 291 HB3 TYR 43 2HB TYR 43 -1.204 -2.356 -0.776 292 HD1 TYR 43 1HD TYR 43 -0.578 -3.297 -3.150 293 HD2 TYR 43 2HD TYR 43 -4.217 -1.286 -2.246 294 HE1 TYR 43 1HE TYR 43 -0.865 -2.759 -5.533 295 HE2 TYR 43 2HE TYR 43 -4.515 -0.743 -4.627 296 HH TYR 43 HH TYR 43 -2.097 -0.945 -6.874 297 H ARG 44 H ARG 44 -4.582 -4.273 0.487 298 HA ARG 44 HA ARG 44 -6.375 -4.468 -1.670 299 HB2 ARG 44 1HB ARG 44 -5.508 -6.654 -2.089 300 HB3 ARG 44 2HB ARG 44 -5.565 -7.073 -0.382 301 HG2 ARG 44 1HG ARG 44 -7.910 -7.245 -0.394 302 HG3 ARG 44 2HG ARG 44 -8.038 -6.438 -1.958 303 HD2 ARG 44 1HD ARG 44 -6.703 -9.105 -1.521 304 HD3 ARG 44 2HD ARG 44 -8.372 -8.905 -2.052 305 HE ARG 44 HE ARG 44 -6.028 -8.662 -3.653 306 HH11 ARG 44 2HH1 ARG 44 -9.266 -7.453 -3.237 307 HH12 ARG 44 1HH1 ARG 44 -9.455 -7.013 -4.902 308 HH21 ARG 44 2HH2 ARG 44 -6.265 -8.088 -5.847 309 HH22 ARG 44 1HH2 ARG 44 -7.748 -7.375 -6.386 310 H ALA 45 H ALA 45 -8.590 -4.816 -0.974 311 HA ALA 45 HA ALA 45 -9.418 -3.421 1.175 312 HB1 ALA 45 1HB ALA 45 -11.528 -4.297 0.872 313 HB2 ALA 45 2HB ALA 45 -10.770 -4.650 -0.681 314 HB3 ALA 45 3HB ALA 45 -10.924 -5.919 0.534 315 H ALA 46 H ALA 46 -9.142 -3.552 3.296 316 HA ALA 46 HA ALA 46 -7.713 -5.266 4.752 317 HB1 ALA 46 1HB ALA 46 -10.220 -4.588 6.127 318 HB2 ALA 46 2HB ALA 46 -8.548 -4.245 6.573 319 HB3 ALA 46 3HB ALA 46 -9.373 -3.227 5.392 320 H GLY 47 H GLY 47 -11.241 -5.699 4.366 321 HA2 GLY 47 1HA GLY 47 -11.030 -8.424 5.357 322 HA3 GLY 47 2HA GLY 47 -12.512 -7.575 4.944 323 H THR 48 H THR 48 -9.651 -9.105 3.516 324 HA THR 48 HA THR 48 -11.216 -9.608 1.075 325 HB THR 48 HB THR 48 -9.146 -8.418 0.635 326 HG1 THR 48 1HG THR 48 -8.103 -10.320 -0.608 327 HG21 THR 48 1HG2 THR 48 -7.163 -8.874 1.590 328 HG22 THR 48 2HG2 THR 48 -7.344 -10.612 1.350 329 HG23 THR 48 3HG2 THR 48 -8.101 -9.830 2.736 330 H GLU 49 H GLU 49 -10.066 -11.706 -0.049 331 HA GLU 49 HA GLU 49 -10.977 -13.897 1.530 332 HB2 GLU 49 1HB GLU 49 -9.493 -13.835 -1.103 333 HB3 GLU 49 2HB GLU 49 -10.182 -15.283 -0.382 334 HG2 GLU 49 1HG GLU 49 -12.405 -14.053 -0.418 335 HG3 GLU 49 2HG GLU 49 -11.612 -12.885 -1.473 336 H GLY 50 H GLY 50 -7.914 -12.381 1.030 337 HA2 GLY 50 1HA GLY 50 -6.581 -13.430 3.147 338 HA3 GLY 50 2HA GLY 50 -6.342 -14.641 1.895 339 HA PRO 51 HA PRO 51 -2.905 -12.400 0.361 340 HB2 PRO 51 1HB PRO 51 -3.028 -12.973 -2.290 341 HB3 PRO 51 2HB PRO 51 -2.543 -14.159 -1.072 342 HG2 PRO 51 1HG PRO 51 -5.198 -13.791 -2.405 343 HG3 PRO 51 2HG PRO 51 -4.320 -15.291 -2.055 344 HD2 PRO 51 1HD PRO 51 -6.368 -14.408 -0.519 345 HD3 PRO 51 2HD PRO 51 -4.999 -15.322 0.148 346 H PHE 52 H PHE 52 -2.300 -10.494 -0.667 347 HA PHE 52 HA PHE 52 -4.537 -8.853 -1.648 348 HB2 PHE 52 1HB PHE 52 -1.882 -7.849 -0.616 349 HB3 PHE 52 2HB PHE 52 -3.349 -6.916 -0.895 350 HD1 PHE 52 2HD PHE 52 -4.983 -9.404 0.359 351 HD2 PHE 52 1HD PHE 52 -1.847 -6.832 1.652 352 HE1 PHE 52 2HE PHE 52 -5.655 -9.766 2.698 353 HE2 PHE 52 1HE PHE 52 -2.514 -7.191 3.993 354 HZ PHE 52 HZ PHE 52 -4.421 -8.658 4.518 355 H GLN 53 H GLN 53 -3.632 -6.983 -3.114 356 HA GLN 53 HA GLN 53 -2.975 -8.021 -5.566 357 HB2 GLN 53 1HB GLN 53 -2.792 -5.318 -4.348 358 HB3 GLN 53 2HB GLN 53 -1.934 -5.573 -5.862 359 HG2 GLN 53 1HG GLN 53 -4.845 -6.213 -5.482 360 HG3 GLN 53 2HG GLN 53 -4.255 -4.660 -6.072 361 HE21 GLN 53 1HE2 GLN 53 -3.174 -4.587 -8.084 362 HE22 GLN 53 2HE2 GLN 53 -3.421 -5.817 -9.272 363 H GLU 54 H GLU 54 -0.886 -7.141 -6.800 364 HA GLU 54 HA GLU 54 1.523 -7.548 -5.212 365 HB2 GLU 54 1HB GLU 54 0.578 -9.774 -6.201 366 HB3 GLU 54 2HB GLU 54 1.220 -9.163 -7.719 367 HG2 GLU 54 1HG GLU 54 3.428 -9.191 -6.921 368 HG3 GLU 54 2HG GLU 54 2.905 -9.378 -5.248 369 H VAL 55 H VAL 55 2.811 -5.918 -5.721 370 HA VAL 55 HA VAL 55 2.958 -5.061 -8.537 371 HB VAL 55 HB VAL 55 3.058 -3.273 -6.103 372 HG11 VAL 55 1HG1 VAL 55 3.356 -1.431 -7.607 373 HG12 VAL 55 2HG1 VAL 55 4.617 -2.622 -7.934 374 HG13 VAL 55 3HG1 VAL 55 3.224 -2.492 -9.009 375 HG21 VAL 55 1HG2 VAL 55 0.800 -4.052 -6.735 376 HG22 VAL 55 2HG2 VAL 55 1.004 -2.313 -6.943 377 HG23 VAL 55 3HG2 VAL 55 1.044 -3.380 -8.347 378 H ASP 56 H ASP 56 4.921 -5.287 -9.362 379 HA ASP 56 HA ASP 56 7.237 -5.179 -7.542 380 HB2 ASP 56 1HB ASP 56 8.359 -6.813 -8.955 381 HB3 ASP 56 2HB ASP 56 6.815 -7.458 -8.404 382 H GLY 57 H GLY 57 8.968 -3.950 -8.129 383 HA2 GLY 57 1HA GLY 57 10.257 -2.999 -10.038 384 HA3 GLY 57 2HA GLY 57 8.707 -2.473 -10.677 385 H VAL 58 H VAL 58 9.749 -2.326 -7.309 386 HA VAL 58 HA VAL 58 9.575 0.612 -7.478 387 HB VAL 58 HB VAL 58 9.124 -1.083 -5.020 388 HG11 VAL 58 1HG1 VAL 58 8.226 0.964 -4.056 389 HG12 VAL 58 2HG1 VAL 58 9.893 1.204 -4.582 390 HG13 VAL 58 3HG1 VAL 58 8.562 1.833 -5.553 391 HG21 VAL 58 1HG2 VAL 58 7.440 -0.914 -7.189 392 HG22 VAL 58 2HG2 VAL 58 6.964 -1.333 -5.543 393 HG23 VAL 58 3HG2 VAL 58 6.820 0.332 -6.105 394 H ALA 59 H ALA 59 11.805 0.774 -8.032 395 HA ALA 59 HA ALA 59 13.817 -0.248 -6.241 396 HB1 ALA 59 1HB ALA 59 14.623 -0.173 -8.392 397 HB2 ALA 59 2HB ALA 59 13.834 1.364 -8.751 398 HB3 ALA 59 3HB ALA 59 15.275 1.328 -7.734 399 H THR 60 H THR 60 11.672 1.965 -5.611 400 HA THR 60 HA THR 60 13.564 3.867 -4.390 401 HB THR 60 HB THR 60 11.431 5.334 -4.208 402 HG1 THR 60 1HG THR 60 10.085 4.798 -6.173 403 HG21 THR 60 1HG2 THR 60 12.855 4.773 -6.807 404 HG22 THR 60 2HG2 THR 60 13.240 6.009 -5.609 405 HG23 THR 60 3HG2 THR 60 11.767 6.140 -6.570 406 H THR 61 H THR 61 12.634 4.911 -2.356 407 HA THR 61 HA THR 61 11.795 2.760 -0.577 408 HB THR 61 HB THR 61 12.248 4.470 1.232 409 HG1 THR 61 1HG THR 61 13.678 6.224 0.353 410 HG21 THR 61 1HG2 THR 61 14.372 3.727 1.350 411 HG22 THR 61 2HG2 THR 61 14.780 4.342 -0.252 412 HG23 THR 61 3HG2 THR 61 13.945 2.797 -0.086 413 H ARG 62 H ARG 62 10.486 5.502 -2.154 414 HA ARG 62 HA ARG 62 8.064 5.313 -0.485 415 HB2 ARG 62 1HB ARG 62 9.443 7.494 -0.398 416 HB3 ARG 62 2HB ARG 62 8.828 7.783 -2.020 417 HG2 ARG 62 1HG ARG 62 6.616 7.955 -1.274 418 HG3 ARG 62 2HG ARG 62 6.994 7.214 0.282 419 HD2 ARG 62 1HD ARG 62 6.660 9.783 0.139 420 HD3 ARG 62 2HD ARG 62 7.985 9.133 1.104 421 HE ARG 62 HE ARG 62 9.477 10.071 -0.365 422 HH11 ARG 62 2HH1 ARG 62 6.289 10.117 -1.763 423 HH12 ARG 62 1HH1 ARG 62 6.748 11.118 -3.100 424 HH21 ARG 62 2HH2 ARG 62 10.093 11.390 -2.121 425 HH22 ARG 62 1HH2 ARG 62 8.912 11.841 -3.304 426 H TYR 63 H TYR 63 6.183 4.919 -1.500 427 HA TYR 63 HA TYR 63 6.008 5.284 -4.397 428 HB2 TYR 63 1HB TYR 63 6.728 2.957 -4.063 429 HB3 TYR 63 2HB TYR 63 5.356 2.682 -2.996 430 HD1 TYR 63 1HD TYR 63 6.242 3.579 -6.493 431 HD2 TYR 63 2HD TYR 63 3.289 2.002 -3.867 432 HE1 TYR 63 1HE TYR 63 4.875 2.929 -8.431 433 HE2 TYR 63 2HE TYR 63 1.914 1.346 -5.798 434 HH TYR 63 HH TYR 63 1.800 2.336 -8.395 435 H SER 64 H SER 64 3.807 5.205 -5.208 436 HA SER 64 HA SER 64 1.808 5.784 -3.120 437 HB2 SER 64 1HB SER 64 0.872 7.518 -4.461 438 HB3 SER 64 2HB SER 64 2.615 7.787 -4.462 439 HG SER 64 HG SER 64 1.097 6.526 -6.504 440 H ILE 65 H ILE 65 0.012 4.599 -3.177 441 HA ILE 65 HA ILE 65 -0.382 2.787 -5.441 442 HB ILE 65 HB ILE 65 -1.613 2.790 -2.684 443 HG12 ILE 65 1HG1 ILE 65 -0.310 0.463 -2.837 444 HG13 ILE 65 2HG1 ILE 65 0.677 1.383 -3.967 445 HG21 ILE 65 1HG2 ILE 65 -2.084 1.036 -5.074 446 HG22 ILE 65 2HG2 ILE 65 -2.394 0.474 -3.432 447 HG23 ILE 65 3HG2 ILE 65 -3.266 1.871 -4.065 448 HD11 ILE 65 1HD1 ILE 65 1.627 1.456 -1.749 449 HD12 ILE 65 2HD1 ILE 65 1.074 3.061 -2.228 450 HD13 ILE 65 3HD1 ILE 65 0.119 2.099 -1.099 451 H GLY 66 H GLY 66 -2.330 2.622 -6.555 452 HA2 GLY 66 1HA GLY 66 -4.392 4.627 -5.962 453 HA3 GLY 66 2HA GLY 66 -3.666 4.616 -7.562 454 H GLY 67 H GLY 67 -6.363 4.319 -7.335 455 HA2 GLY 67 1HA GLY 67 -7.809 2.923 -8.581 456 HA3 GLY 67 2HA GLY 67 -6.697 1.586 -8.327 457 H LEU 68 H LEU 68 -7.402 3.444 -5.548 458 HA LEU 68 HA LEU 68 -8.930 1.214 -4.452 459 HB2 LEU 68 1HB LEU 68 -7.884 3.671 -3.056 460 HB3 LEU 68 2HB LEU 68 -8.528 2.219 -2.294 461 HG LEU 68 HG LEU 68 -6.030 2.225 -3.976 462 HD11 LEU 68 1HD1 LEU 68 -4.867 2.103 -1.739 463 HD12 LEU 68 2HD1 LEU 68 -6.378 2.662 -1.022 464 HD13 LEU 68 3HD1 LEU 68 -5.524 3.678 -2.184 465 HD21 LEU 68 1HD2 LEU 68 -6.108 0.234 -1.955 466 HD22 LEU 68 2HD2 LEU 68 -6.114 0.026 -3.707 467 HD23 LEU 68 3HD2 LEU 68 -7.638 0.186 -2.831 468 H SER 69 H SER 69 -10.691 1.910 -2.823 469 HA SER 69 HA SER 69 -12.480 3.756 -4.239 470 HB2 SER 69 1HB SER 69 -12.949 1.410 -2.421 471 HB3 SER 69 2HB SER 69 -14.214 2.614 -2.665 472 HG SER 69 HG SER 69 -14.473 0.997 -4.183 473 HA PRO 70 HA PRO 70 -12.377 6.753 -1.033 474 HB2 PRO 70 1HB PRO 70 -14.907 7.729 -1.162 475 HB3 PRO 70 2HB PRO 70 -13.682 8.068 -2.391 476 HG2 PRO 70 1HG PRO 70 -15.899 6.056 -2.429 477 HG3 PRO 70 2HG PRO 70 -15.346 7.136 -3.722 478 HD2 PRO 70 1HD PRO 70 -14.651 4.522 -3.611 479 HD3 PRO 70 2HD PRO 70 -13.578 5.767 -4.282 480 H PHE 71 H PHE 71 -12.680 6.854 1.128 481 HA PHE 71 HA PHE 71 -13.288 6.224 3.227 482 HB2 PHE 71 1HB PHE 71 -15.498 7.177 2.150 483 HB3 PHE 71 2HB PHE 71 -16.025 5.501 2.263 484 HD1 PHE 71 2HD PHE 71 -14.149 7.855 4.476 485 HD2 PHE 71 1HD PHE 71 -17.373 5.106 4.065 486 HE1 PHE 71 2HE PHE 71 -14.746 8.208 6.836 487 HE2 PHE 71 1HE PHE 71 -17.975 5.455 6.425 488 HZ PHE 71 HZ PHE 71 -16.661 7.007 7.814 489 H SER 72 H SER 72 -11.897 4.284 2.109 490 HA SER 72 HA SER 72 -13.281 1.843 2.979 491 HB2 SER 72 1HB SER 72 -12.226 0.586 1.133 492 HB3 SER 72 2HB SER 72 -13.303 1.845 0.530 493 HG SER 72 HG SER 72 -11.306 3.159 0.400 494 H GLU 73 H GLU 73 -11.828 0.106 3.619 495 HA GLU 73 HA GLU 73 -9.313 1.174 4.707 496 HB2 GLU 73 1HB GLU 73 -11.268 0.126 6.148 497 HB3 GLU 73 2HB GLU 73 -10.507 -1.386 5.674 498 HG2 GLU 73 1HG GLU 73 -8.471 -0.798 6.729 499 HG3 GLU 73 2HG GLU 73 -8.999 0.867 6.966 500 H TYR 74 H TYR 74 -7.400 0.269 4.198 501 HA TYR 74 HA TYR 74 -7.384 -2.284 2.753 502 HB2 TYR 74 1HB TYR 74 -6.343 0.351 1.795 503 HB3 TYR 74 2HB TYR 74 -5.484 -1.117 1.344 504 HD1 TYR 74 1HD TYR 74 -8.974 0.226 1.408 505 HD2 TYR 74 2HD TYR 74 -6.094 -2.161 -0.621 506 HE1 TYR 74 1HE TYR 74 -10.576 -0.141 -0.422 507 HE2 TYR 74 2HE TYR 74 -7.688 -2.533 -2.457 508 HH TYR 74 HH TYR 74 -10.673 -0.787 -2.682 509 H ALA 75 H ALA 75 -5.387 -3.421 2.837 510 HA ALA 75 HA ALA 75 -3.637 -2.544 5.040 511 HB1 ALA 75 1HB ALA 75 -3.122 -5.057 5.197 512 HB2 ALA 75 2HB ALA 75 -4.673 -4.483 5.810 513 HB3 ALA 75 3HB ALA 75 -4.584 -5.270 4.234 514 H PHE 76 H PHE 76 -1.861 -1.681 4.159 515 HA PHE 76 HA PHE 76 -0.712 -2.877 1.752 516 HB2 PHE 76 1HB PHE 76 0.140 -0.356 3.188 517 HB3 PHE 76 2HB PHE 76 0.627 -0.872 1.577 518 HD1 PHE 76 2HD PHE 76 -2.197 0.362 3.598 519 HD2 PHE 76 1HD PHE 76 -0.724 -0.439 -0.314 520 HE1 PHE 76 2HE PHE 76 -4.092 1.601 2.634 521 HE2 PHE 76 1HE PHE 76 -2.616 0.798 -1.284 522 HZ PHE 76 HZ PHE 76 -4.304 1.819 0.190 523 H ARG 77 H ARG 77 1.522 -3.427 1.630 524 HA ARG 77 HA ARG 77 3.154 -3.514 3.980 525 HB2 ARG 77 1HB ARG 77 3.316 -5.951 4.158 526 HB3 ARG 77 2HB ARG 77 1.675 -5.401 4.470 527 HG2 ARG 77 1HG ARG 77 1.096 -5.996 2.126 528 HG3 ARG 77 2HG ARG 77 2.711 -6.688 1.956 529 HD2 ARG 77 1HD ARG 77 2.246 -8.458 3.327 530 HD3 ARG 77 2HD ARG 77 1.047 -7.561 4.258 531 HE ARG 77 HE ARG 77 0.062 -7.904 1.666 532 HH11 ARG 77 2HH1 ARG 77 0.856 -9.811 4.468 533 HH12 ARG 77 1HH1 ARG 77 -0.318 -11.040 4.126 534 HH21 ARG 77 2HH2 ARG 77 -1.486 -9.514 1.204 535 HH22 ARG 77 1HH2 ARG 77 -1.649 -10.870 2.269 536 H VAL 78 H VAL 78 5.208 -3.375 3.352 537 HA VAL 78 HA VAL 78 5.854 -4.025 0.562 538 HB VAL 78 HB VAL 78 7.422 -2.335 2.516 539 HG11 VAL 78 1HG1 VAL 78 8.868 -3.288 0.854 540 HG12 VAL 78 2HG1 VAL 78 7.753 -2.838 -0.439 541 HG13 VAL 78 3HG1 VAL 78 8.610 -1.587 0.463 542 HG21 VAL 78 1HG2 VAL 78 5.101 -1.740 0.910 543 HG22 VAL 78 2HG2 VAL 78 5.928 -0.737 2.102 544 HG23 VAL 78 3HG2 VAL 78 6.476 -0.748 0.426 545 H LEU 79 H LEU 79 7.934 -5.003 0.093 546 HA LEU 79 HA LEU 79 9.309 -6.370 2.244 547 HB2 LEU 79 1HB LEU 79 9.048 -8.590 1.147 548 HB3 LEU 79 2HB LEU 79 7.576 -7.953 1.877 549 HG LEU 79 HG LEU 79 8.089 -7.605 -1.054 550 HD11 LEU 79 1HD1 LEU 79 8.345 -10.040 -0.300 551 HD12 LEU 79 2HD1 LEU 79 7.195 -9.692 -1.590 552 HD13 LEU 79 3HD1 LEU 79 6.619 -9.972 0.053 553 HD21 LEU 79 1HD2 LEU 79 6.071 -6.689 -0.990 554 HD22 LEU 79 2HD2 LEU 79 6.026 -6.923 0.758 555 HD23 LEU 79 3HD2 LEU 79 5.398 -8.174 -0.317 556 H ALA 80 H ALA 80 11.378 -7.032 1.697 557 HA ALA 80 HA ALA 80 12.497 -5.764 -0.634 558 HB1 ALA 80 1HB ALA 80 14.490 -7.315 0.536 559 HB2 ALA 80 2HB ALA 80 14.189 -5.596 0.799 560 HB3 ALA 80 3HB ALA 80 13.475 -6.792 1.881 561 H VAL 81 H VAL 81 13.721 -6.816 -2.269 562 HA VAL 81 HA VAL 81 13.506 -9.701 -2.524 563 HB VAL 81 HB VAL 81 12.365 -7.927 -4.684 564 HG11 VAL 81 1HG1 VAL 81 12.501 -9.719 -5.984 565 HG12 VAL 81 2HG1 VAL 81 13.285 -10.608 -4.677 566 HG13 VAL 81 3HG1 VAL 81 11.529 -10.639 -4.836 567 HG21 VAL 81 1HG2 VAL 81 10.185 -9.020 -4.008 568 HG22 VAL 81 2HG2 VAL 81 11.000 -9.520 -2.526 569 HG23 VAL 81 3HG2 VAL 81 10.819 -7.806 -2.898 570 H ASN 82 H ASN 82 15.130 -10.574 -3.717 571 HA ASN 82 HA ASN 82 16.683 -8.940 -5.535 572 HB2 ASN 82 1HB ASN 82 18.685 -8.893 -4.384 573 HB3 ASN 82 2HB ASN 82 17.543 -8.724 -3.053 574 HD21 ASN 82 1HD2 ASN 82 17.238 -10.423 -1.635 575 HD22 ASN 82 2HD2 ASN 82 18.311 -11.775 -1.564 576 H SER 83 H SER 83 18.712 -10.375 -6.227 577 HA SER 83 HA SER 83 17.956 -12.370 -7.828 578 HB2 SER 83 1HB SER 83 20.495 -12.253 -6.192 579 HB3 SER 83 2HB SER 83 20.240 -13.405 -7.502 580 HG SER 83 HG SER 83 21.023 -10.864 -7.660 581 H ILE 84 H ILE 84 18.702 -12.790 -4.390 582 HA ILE 84 HA ILE 84 18.382 -15.573 -4.274 583 HB ILE 84 HB ILE 84 17.769 -13.611 -2.063 584 HG12 ILE 84 1HG1 ILE 84 20.019 -13.273 -3.096 585 HG13 ILE 84 2HG1 ILE 84 20.089 -13.782 -1.413 586 HG21 ILE 84 1HG2 ILE 84 18.956 -15.964 -1.092 587 HG22 ILE 84 2HG2 ILE 84 17.293 -15.421 -0.873 588 HG23 ILE 84 3HG2 ILE 84 17.706 -16.469 -2.230 589 HD11 ILE 84 1HD1 ILE 84 21.381 -15.479 -1.975 590 HD12 ILE 84 2HD1 ILE 84 20.130 -16.099 -3.054 591 HD13 ILE 84 3HD1 ILE 84 21.328 -14.954 -3.658 592 H GLY 85 H GLY 85 16.055 -13.046 -3.287 593 HA2 GLY 85 1HA GLY 85 13.819 -14.008 -4.558 594 HA3 GLY 85 2HA GLY 85 13.904 -14.921 -3.059 595 H ARG 86 H ARG 86 11.812 -13.878 -2.650 596 HA ARG 86 HA ARG 86 12.081 -11.086 -1.765 597 HB2 ARG 86 1HB ARG 86 9.534 -11.181 -1.724 598 HB3 ARG 86 2HB ARG 86 10.301 -11.226 -3.306 599 HG2 ARG 86 1HG ARG 86 9.985 -13.627 -3.421 600 HG3 ARG 86 2HG ARG 86 9.281 -13.627 -1.802 601 HD2 ARG 86 1HD ARG 86 7.413 -13.643 -3.177 602 HD3 ARG 86 2HD ARG 86 7.599 -11.934 -2.785 603 HE ARG 86 HE ARG 86 8.948 -12.674 -5.199 604 HH11 ARG 86 2HH1 ARG 86 5.875 -11.773 -3.832 605 HH12 ARG 86 1HH1 ARG 86 5.246 -11.155 -5.324 606 HH21 ARG 86 2HH2 ARG 86 8.131 -11.863 -7.168 607 HH22 ARG 86 1HH2 ARG 86 6.530 -11.207 -7.221 608 H GLY 87 H GLY 87 12.504 -10.891 0.332 609 HA2 GLY 87 1HA GLY 87 12.178 -12.926 2.243 610 HA3 GLY 87 2HA GLY 87 12.458 -11.228 2.602 611 HA PRO 88 HA PRO 88 8.206 -12.478 4.077 612 HB2 PRO 88 1HB PRO 88 8.550 -11.617 6.628 613 HB3 PRO 88 2HB PRO 88 8.987 -13.245 6.097 614 HG2 PRO 88 1HG PRO 88 10.734 -10.845 6.482 615 HG3 PRO 88 2HG PRO 88 11.033 -12.531 6.942 616 HD2 PRO 88 1HD PRO 88 12.111 -11.414 4.724 617 HD3 PRO 88 2HD PRO 88 11.672 -13.131 4.810 618 HA PRO 89 HA PRO 89 6.630 -8.394 3.586 619 HB2 PRO 89 1HB PRO 89 4.226 -8.665 4.816 620 HB3 PRO 89 2HB PRO 89 4.582 -9.374 3.237 621 HG2 PRO 89 1HG PRO 89 4.592 -10.663 5.938 622 HG3 PRO 89 2HG PRO 89 3.951 -11.283 4.405 623 HD2 PRO 89 1HD PRO 89 6.347 -12.057 5.401 624 HD3 PRO 89 2HD PRO 89 6.029 -11.944 3.658 625 H SER 90 H SER 90 6.580 -6.466 4.651 626 HA SER 90 HA SER 90 7.541 -6.416 7.355 627 HB2 SER 90 1HB SER 90 8.401 -4.746 5.870 628 HB3 SER 90 2HB SER 90 6.778 -4.231 5.411 629 HG SER 90 HG SER 90 6.496 -3.355 7.430 630 H GLU 91 H GLU 91 6.512 -4.966 9.001 631 HA GLU 91 HA GLU 91 4.099 -5.881 9.863 632 HB2 GLU 91 1HB GLU 91 5.526 -3.287 10.314 633 HB3 GLU 91 2HB GLU 91 3.922 -3.523 10.994 634 HG2 GLU 91 1HG GLU 91 4.804 -5.622 12.061 635 HG3 GLU 91 2HG GLU 91 6.412 -5.106 11.557 636 H ALA 92 H ALA 92 2.448 -6.072 8.424 637 HA ALA 92 HA ALA 92 1.658 -4.313 6.454 638 HB1 ALA 92 1HB ALA 92 0.590 -6.335 6.307 639 HB2 ALA 92 2HB ALA 92 0.232 -6.397 8.033 640 HB3 ALA 92 3HB ALA 92 -0.701 -5.337 6.976 641 H VAL 93 H VAL 93 0.651 -2.401 6.389 642 HA VAL 93 HA VAL 93 -0.376 -1.307 8.924 643 HB VAL 93 HB VAL 93 0.054 0.918 8.024 644 HG11 VAL 93 1HG1 VAL 93 2.282 -1.070 8.120 645 HG12 VAL 93 2HG1 VAL 93 2.623 0.612 7.710 646 HG13 VAL 93 3HG1 VAL 93 1.874 0.214 9.257 647 HG21 VAL 93 1HG2 VAL 93 1.024 1.324 5.908 648 HG22 VAL 93 2HG2 VAL 93 1.367 -0.387 5.651 649 HG23 VAL 93 3HG2 VAL 93 -0.298 0.192 5.621 650 H ARG 94 H ARG 94 -2.375 -0.346 9.001 651 HA ARG 94 HA ARG 94 -4.074 -0.760 6.634 652 HB2 ARG 94 1HB ARG 94 -4.568 -0.975 9.568 653 HB3 ARG 94 2HB ARG 94 -5.901 -0.474 8.536 654 HG2 ARG 94 1HG ARG 94 -5.390 -2.545 7.146 655 HG3 ARG 94 2HG ARG 94 -4.385 -3.061 8.502 656 HD2 ARG 94 1HD ARG 94 -7.342 -2.479 8.534 657 HD3 ARG 94 2HD ARG 94 -6.561 -4.047 8.737 658 HE ARG 94 HE ARG 94 -7.001 -2.089 10.752 659 HH11 ARG 94 2HH1 ARG 94 -4.775 -4.553 9.706 660 HH12 ARG 94 1HH1 ARG 94 -4.162 -4.858 11.297 661 HH21 ARG 94 2HH2 ARG 94 -6.201 -2.481 12.852 662 HH22 ARG 94 1HH2 ARG 94 -4.974 -3.679 13.086 663 H ALA 95 H ALA 95 -4.744 0.987 5.592 664 HA ALA 95 HA ALA 95 -5.046 3.503 7.090 665 HB1 ALA 95 1HB ALA 95 -3.836 3.198 4.344 666 HB2 ALA 95 2HB ALA 95 -4.179 4.731 5.148 667 HB3 ALA 95 3HB ALA 95 -2.979 3.630 5.824 668 H ARG 96 H ARG 96 -6.986 4.407 6.880 669 HA ARG 96 HA ARG 96 -8.850 3.304 4.934 670 HB2 ARG 96 1HB ARG 96 -9.302 3.778 7.464 671 HB3 ARG 96 2HB ARG 96 -9.557 5.431 6.923 672 HG2 ARG 96 1HG ARG 96 -11.288 4.625 5.365 673 HG3 ARG 96 2HG ARG 96 -11.063 2.993 6.000 674 HD2 ARG 96 1HD ARG 96 -11.697 5.284 7.824 675 HD3 ARG 96 2HD ARG 96 -12.976 4.450 6.943 676 HE ARG 96 HE ARG 96 -11.386 2.546 8.253 677 HH11 ARG 96 2HH1 ARG 96 -13.663 5.079 8.973 678 HH12 ARG 96 1HH1 ARG 96 -14.220 4.341 10.438 679 HH21 ARG 96 2HH2 ARG 96 -12.111 1.564 10.180 680 HH22 ARG 96 1HH2 ARG 96 -13.335 2.342 11.124 681 H THR 97 H THR 97 -9.066 4.220 3.012 682 HA THR 97 HA THR 97 -7.951 6.703 2.298 683 HB THR 97 HB THR 97 -9.049 6.446 0.163 684 HG1 THR 97 1HG THR 97 -11.115 5.804 0.877 685 HG21 THR 97 1HG2 THR 97 -7.366 4.979 -0.100 686 HG22 THR 97 2HG2 THR 97 -8.620 3.747 0.037 687 HG23 THR 97 3HG2 THR 97 -7.674 4.204 1.453 688 H GLY 98 H GLY 98 -8.962 8.671 1.703 689 HA2 GLY 98 1HA GLY 98 -11.000 9.516 3.495 690 HA3 GLY 98 2HA GLY 98 -10.326 10.461 2.176 691 H GLU 99 H GLU 99 -13.069 10.398 2.977 692 HA GLU 99 HA GLU 99 -14.423 8.850 0.913 693 HB2 GLU 99 1HB GLU 99 -16.438 9.329 2.031 694 HB3 GLU 99 2HB GLU 99 -15.262 9.079 3.313 695 HG2 GLU 99 1HG GLU 99 -16.189 11.749 2.280 696 HG3 GLU 99 2HG GLU 99 -16.723 10.976 3.771 697 H GLN 100 H GLN 100 -15.553 9.721 -0.792 698 HA GLN 100 HA GLN 100 -15.576 12.618 -1.134 699 HB2 GLN 100 1HB GLN 100 -13.466 11.567 -2.166 700 HB3 GLN 100 2HB GLN 100 -14.552 10.875 -3.362 701 HG2 GLN 100 1HG GLN 100 -14.336 13.818 -2.783 702 HG3 GLN 100 2HG GLN 100 -13.453 12.988 -4.064 703 HE21 GLN 100 1HE2 GLN 100 -14.885 11.671 -5.548 704 HE22 GLN 100 2HE2 GLN 100 -16.361 12.414 -6.052 705 H SER 101 H SER 101 -17.533 13.212 -1.767 706 HA SER 101 HA SER 101 -19.680 11.620 -2.239 707 HB2 SER 101 1HB SER 101 -20.695 13.550 -3.465 708 HB3 SER 101 2HB SER 101 -19.945 14.005 -1.935 709 HG SER 101 HG SER 101 -18.054 14.556 -3.246 710 H GLY 102 H GLY 102 -19.856 9.979 -3.619 711 HA2 GLY 102 1HA GLY 102 -19.722 10.453 -6.449 712 HA3 GLY 102 2HA GLY 102 -18.404 9.445 -5.872 713 HA PRO 103 HA PRO 103 -20.918 5.863 -6.022 714 HB2 PRO 103 1HB PRO 103 -20.246 4.525 -3.758 715 HB3 PRO 103 2HB PRO 103 -19.157 4.678 -5.142 716 HG2 PRO 103 1HG PRO 103 -19.208 6.243 -2.591 717 HG3 PRO 103 2HG PRO 103 -17.817 5.583 -3.472 718 HD2 PRO 103 1HD PRO 103 -18.538 8.189 -3.629 719 HD3 PRO 103 2HD PRO 103 -17.792 7.321 -4.986 720 H SER 104 H SER 104 -22.553 4.533 -4.812 721 HA SER 104 HA SER 104 -24.460 6.292 -3.577 722 HB2 SER 104 1HB SER 104 -24.989 4.377 -5.187 723 HB3 SER 104 2HB SER 104 -24.712 3.295 -3.822 724 HG SER 104 HG SER 104 -26.413 5.440 -3.372 725 H SER 105 H SER 105 -24.693 6.670 -1.481 726 HA SER 105 HA SER 105 -24.487 4.715 0.538 727 HB2 SER 105 1HB SER 105 -22.469 5.550 1.706 728 HB3 SER 105 2HB SER 105 -22.083 4.866 0.128 729 HG SER 105 HG SER 105 -21.302 7.140 0.914 730 H GLY 106 H GLY 106 -25.959 5.391 1.940 731 HA2 GLY 106 1HA GLY 106 -26.240 7.186 3.709 732 HA3 GLY 106 2HA GLY 106 -26.268 8.299 2.349 Start of MODEL 19 1 H1 GLY 1 H GLY 1 9.602 -16.358 15.106 2 HA2 GLY 1 1HA GLY 1 12.373 -15.445 15.560 3 HA3 GLY 1 2HA GLY 1 11.748 -17.008 16.064 4 H SER 2 H SER 2 13.874 -15.810 14.062 5 HA SER 2 HA SER 2 13.474 -17.936 12.098 6 HB2 SER 2 1HB SER 2 12.584 -15.658 11.255 7 HB3 SER 2 2HB SER 2 14.282 -15.195 11.150 8 HG SER 2 HG SER 2 12.816 -16.867 9.549 9 H SER 3 H SER 3 15.223 -19.133 12.516 10 HA SER 3 HA SER 3 17.786 -17.829 13.032 11 HB2 SER 3 1HB SER 3 16.882 -20.704 13.288 12 HB3 SER 3 2HB SER 3 18.543 -20.177 13.562 13 HG SER 3 HG SER 3 17.941 -19.141 15.354 14 H GLY 4 H GLY 4 19.187 -17.510 11.442 15 HA2 GLY 4 1HA GLY 4 20.570 -18.717 9.754 16 HA3 GLY 4 2HA GLY 4 19.049 -19.292 9.087 17 H SER 5 H SER 5 20.270 -18.277 7.171 18 HA SER 5 HA SER 5 19.519 -15.432 6.982 19 HB2 SER 5 1HB SER 5 21.895 -15.551 6.815 20 HB3 SER 5 2HB SER 5 21.818 -16.930 5.718 21 HG SER 5 HG SER 5 20.850 -15.526 4.176 22 H SER 6 H SER 6 17.455 -15.787 6.187 23 HA SER 6 HA SER 6 17.249 -17.224 3.630 24 HB2 SER 6 1HB SER 6 15.756 -17.877 5.584 25 HB3 SER 6 2HB SER 6 14.951 -16.322 5.372 26 HG SER 6 HG SER 6 14.903 -17.216 3.016 27 H GLY 7 H GLY 7 17.622 -15.844 2.000 28 HA2 GLY 7 1HA GLY 7 17.491 -13.976 0.665 29 HA3 GLY 7 2HA GLY 7 15.804 -13.958 1.160 30 HA PRO 8 HA PRO 8 17.785 -10.005 2.563 31 HB2 PRO 8 1HB PRO 8 15.789 -8.405 1.654 32 HB3 PRO 8 2HB PRO 8 17.148 -8.912 0.644 33 HG2 PRO 8 1HG PRO 8 14.371 -10.022 0.779 34 HG3 PRO 8 2HG PRO 8 15.374 -9.687 -0.644 35 HD2 PRO 8 1HD PRO 8 15.081 -12.177 0.380 36 HD3 PRO 8 2HD PRO 8 16.577 -11.639 -0.410 37 H LYS 9 H LYS 9 16.469 -8.139 3.743 38 HA LYS 9 HA LYS 9 14.758 -9.491 5.718 39 HB2 LYS 9 1HB LYS 9 16.540 -7.066 5.933 40 HB3 LYS 9 2HB LYS 9 15.373 -7.503 7.174 41 HG2 LYS 9 1HG LYS 9 17.464 -9.436 6.240 42 HG3 LYS 9 2HG LYS 9 17.795 -8.239 7.495 43 HD2 LYS 9 1HD LYS 9 16.313 -9.207 8.988 44 HD3 LYS 9 2HD LYS 9 15.390 -10.004 7.712 45 HE2 LYS 9 1HE LYS 9 18.243 -10.757 8.209 46 HE3 LYS 9 2HE LYS 9 16.963 -11.407 9.233 47 HZ1 LYS 9 1HZ LYS 9 17.763 -12.314 6.733 48 HZ2 LYS 9 2HZ LYS 9 16.222 -11.651 6.525 49 HZ3 LYS 9 3HZ LYS 9 16.469 -12.873 7.668 50 HA PRO 10 HA PRO 10 11.271 -7.047 4.653 51 HB2 PRO 10 1HB PRO 10 10.088 -6.719 7.074 52 HB3 PRO 10 2HB PRO 10 10.092 -8.260 6.207 53 HG2 PRO 10 1HG PRO 10 11.851 -7.344 8.449 54 HG3 PRO 10 2HG PRO 10 11.073 -8.919 8.210 55 HD2 PRO 10 1HD PRO 10 13.683 -8.482 7.639 56 HD3 PRO 10 2HD PRO 10 12.685 -9.631 6.725 57 HA PRO 11 HA PRO 11 12.355 -2.804 5.233 58 HB2 PRO 11 1HB PRO 11 10.026 -1.675 4.412 59 HB3 PRO 11 2HB PRO 11 11.187 -2.402 3.295 60 HG2 PRO 11 1HG PRO 11 8.664 -3.555 4.420 61 HG3 PRO 11 2HG PRO 11 9.287 -3.632 2.762 62 HD2 PRO 11 1HD PRO 11 9.534 -5.687 4.507 63 HD3 PRO 11 2HD PRO 11 10.745 -5.348 3.255 64 H ILE 12 H ILE 12 12.066 -1.134 6.687 65 HA ILE 12 HA ILE 12 10.021 -1.574 8.764 66 HB ILE 12 HB ILE 12 11.569 -0.463 10.351 67 HG12 ILE 12 1HG1 ILE 12 13.610 -0.766 8.138 68 HG13 ILE 12 2HG1 ILE 12 12.881 0.763 8.619 69 HG21 ILE 12 1HG2 ILE 12 11.885 -2.619 10.830 70 HG22 ILE 12 2HG2 ILE 12 11.920 -3.076 9.128 71 HG23 ILE 12 3HG2 ILE 12 13.385 -2.488 9.913 72 HD11 ILE 12 1HD1 ILE 12 14.492 1.014 10.105 73 HD12 ILE 12 2HD1 ILE 12 13.904 -0.414 10.958 74 HD13 ILE 12 3HD1 ILE 12 15.143 -0.577 9.714 75 H ASP 13 H ASP 13 9.905 0.619 10.140 76 HA ASP 13 HA ASP 13 9.097 2.744 10.211 77 HB2 ASP 13 1HB ASP 13 11.463 3.015 9.058 78 HB3 ASP 13 2HB ASP 13 10.483 3.459 7.663 79 H LEU 14 H LEU 14 7.611 0.713 8.800 80 HA LEU 14 HA LEU 14 6.499 1.800 6.414 81 HB2 LEU 14 1HB LEU 14 6.517 -0.645 7.381 82 HB3 LEU 14 2HB LEU 14 5.000 -0.132 8.118 83 HG LEU 14 HG LEU 14 4.172 0.428 5.821 84 HD11 LEU 14 1HD1 LEU 14 6.087 -1.317 4.502 85 HD12 LEU 14 2HD1 LEU 14 6.815 0.172 5.105 86 HD13 LEU 14 3HD1 LEU 14 5.443 0.246 4.000 87 HD21 LEU 14 1HD2 LEU 14 3.182 -1.535 6.130 88 HD22 LEU 14 2HD2 LEU 14 4.562 -2.147 7.043 89 HD23 LEU 14 3HD2 LEU 14 4.533 -2.292 5.285 90 H VAL 15 H VAL 15 5.389 3.641 6.412 91 HA VAL 15 HA VAL 15 3.087 3.901 8.171 92 HB VAL 15 HB VAL 15 4.872 6.294 7.986 93 HG11 VAL 15 1HG1 VAL 15 3.762 6.376 10.416 94 HG12 VAL 15 2HG1 VAL 15 2.950 6.985 8.972 95 HG13 VAL 15 3HG1 VAL 15 2.562 5.380 9.593 96 HG21 VAL 15 1HG2 VAL 15 6.242 4.368 8.815 97 HG22 VAL 15 2HG2 VAL 15 6.073 5.697 9.961 98 HG23 VAL 15 3HG2 VAL 15 5.118 4.229 10.167 99 H VAL 16 H VAL 16 1.819 5.935 7.585 100 HA VAL 16 HA VAL 16 1.950 6.325 4.665 101 HB VAL 16 HB VAL 16 -0.523 6.603 6.370 102 HG11 VAL 16 1HG1 VAL 16 -0.464 6.067 3.431 103 HG12 VAL 16 2HG1 VAL 16 -1.709 6.852 4.405 104 HG13 VAL 16 3HG1 VAL 16 -0.211 7.706 4.030 105 HG21 VAL 16 1HG2 VAL 16 0.003 4.330 6.585 106 HG22 VAL 16 2HG2 VAL 16 -1.146 4.391 5.249 107 HG23 VAL 16 3HG2 VAL 16 0.577 4.214 4.921 108 H THR 17 H THR 17 2.092 8.343 3.886 109 HA THR 17 HA THR 17 2.039 10.551 5.828 110 HB THR 17 HB THR 17 4.188 10.251 4.681 111 HG1 THR 17 1HG THR 17 2.624 12.547 4.328 112 HG21 THR 17 1HG2 THR 17 4.473 10.271 2.386 113 HG22 THR 17 2HG2 THR 17 2.942 11.098 2.098 114 HG23 THR 17 3HG2 THR 17 2.953 9.393 2.545 115 H GLU 18 H GLU 18 1.073 9.698 2.517 116 HA GLU 18 HA GLU 18 -0.976 11.811 2.671 117 HB2 GLU 18 1HB GLU 18 0.687 10.889 0.336 118 HB3 GLU 18 2HB GLU 18 -0.821 11.764 0.110 119 HG2 GLU 18 1HG GLU 18 0.026 13.723 0.950 120 HG3 GLU 18 2HG GLU 18 1.258 12.905 1.909 121 H THR 19 H THR 19 -3.033 11.335 1.939 122 HA THR 19 HA THR 19 -3.559 8.612 0.995 123 HB THR 19 HB THR 19 -5.675 8.834 2.609 124 HG1 THR 19 1HG THR 19 -4.426 10.886 3.388 125 HG21 THR 19 1HG2 THR 19 -4.779 7.029 3.591 126 HG22 THR 19 2HG2 THR 19 -3.376 7.932 4.162 127 HG23 THR 19 3HG2 THR 19 -3.401 7.285 2.522 128 H THR 20 H THR 20 -4.550 8.898 -0.889 129 HA THR 20 HA THR 20 -6.331 11.192 -1.257 130 HB THR 20 HB THR 20 -5.738 9.327 -3.502 131 HG1 THR 20 1HG THR 20 -3.783 10.284 -2.017 132 HG21 THR 20 1HG2 THR 20 -6.542 12.113 -3.085 133 HG22 THR 20 2HG2 THR 20 -6.850 11.036 -4.448 134 HG23 THR 20 3HG2 THR 20 -5.317 11.900 -4.335 135 H ALA 21 H ALA 21 -8.392 10.893 -2.342 136 HA ALA 21 HA ALA 21 -10.048 9.034 -1.121 137 HB1 ALA 21 1HB ALA 21 -10.321 10.811 -3.492 138 HB2 ALA 21 2HB ALA 21 -11.554 9.582 -3.209 139 HB3 ALA 21 3HB ALA 21 -11.224 10.800 -1.976 140 H THR 22 H THR 22 -8.340 8.846 -4.198 141 HA THR 22 HA THR 22 -9.144 6.016 -4.388 142 HB THR 22 HB THR 22 -8.965 6.202 -6.848 143 HG1 THR 22 1HG THR 22 -8.801 8.280 -7.767 144 HG21 THR 22 1HG2 THR 22 -10.900 8.146 -5.582 145 HG22 THR 22 2HG2 THR 22 -11.155 6.415 -5.801 146 HG23 THR 22 3HG2 THR 22 -11.041 7.474 -7.206 147 H SER 23 H SER 23 -6.721 7.594 -3.323 148 HA SER 23 HA SER 23 -4.745 5.750 -4.380 149 HB2 SER 23 1HB SER 23 -3.924 8.628 -4.333 150 HB3 SER 23 2HB SER 23 -3.265 7.291 -5.276 151 HG SER 23 HG SER 23 -5.323 9.008 -5.860 152 H VAL 24 H VAL 24 -2.565 6.175 -3.213 153 HA VAL 24 HA VAL 24 -2.729 7.403 -0.620 154 HB VAL 24 HB VAL 24 -3.857 5.452 0.072 155 HG11 VAL 24 1HG1 VAL 24 -2.104 3.321 -0.621 156 HG12 VAL 24 2HG1 VAL 24 -3.784 3.569 -1.099 157 HG13 VAL 24 3HG1 VAL 24 -2.479 4.235 -2.082 158 HG21 VAL 24 1HG2 VAL 24 -1.992 6.110 1.525 159 HG22 VAL 24 2HG2 VAL 24 -2.290 4.373 1.591 160 HG23 VAL 24 3HG2 VAL 24 -0.931 5.000 0.658 161 H THR 25 H THR 25 -0.713 7.471 0.468 162 HA THR 25 HA THR 25 1.576 6.723 -1.233 163 HB THR 25 HB THR 25 1.442 9.029 0.718 164 HG1 THR 25 1HG THR 25 0.159 9.271 -1.244 165 HG21 THR 25 1HG2 THR 25 3.500 9.413 -1.122 166 HG22 THR 25 2HG2 THR 25 3.616 7.714 -0.666 167 HG23 THR 25 3HG2 THR 25 3.669 8.965 0.575 168 H LEU 26 H LEU 26 3.192 5.552 -0.358 169 HA LEU 26 HA LEU 26 3.056 4.997 2.533 170 HB2 LEU 26 1HB LEU 26 2.407 3.137 0.889 171 HB3 LEU 26 2HB LEU 26 4.124 3.067 0.498 172 HG LEU 26 HG LEU 26 4.581 2.567 2.898 173 HD11 LEU 26 1HD1 LEU 26 1.578 2.357 3.039 174 HD12 LEU 26 2HD1 LEU 26 2.592 3.522 3.889 175 HD13 LEU 26 3HD1 LEU 26 2.698 1.807 4.285 176 HD21 LEU 26 1HD2 LEU 26 3.551 0.235 2.782 177 HD22 LEU 26 2HD2 LEU 26 4.616 0.716 1.460 178 HD23 LEU 26 3HD2 LEU 26 2.866 0.744 1.238 179 H THR 27 H THR 27 4.978 4.851 3.669 180 HA THR 27 HA THR 27 7.459 5.416 2.208 181 HB THR 27 HB THR 27 8.134 7.074 3.902 182 HG1 THR 27 1HG THR 27 6.118 7.896 5.111 183 HG21 THR 27 1HG2 THR 27 6.914 7.685 1.753 184 HG22 THR 27 2HG2 THR 27 6.901 8.895 3.037 185 HG23 THR 27 3HG2 THR 27 5.477 7.895 2.752 186 H TRP 28 H TRP 28 9.223 4.376 2.971 187 HA TRP 28 HA TRP 28 9.278 3.301 5.658 188 HB2 TRP 28 1HB TRP 28 9.581 0.983 4.989 189 HB3 TRP 28 2HB TRP 28 8.038 1.578 4.380 190 HD1 TRP 28 HD TRP 28 11.409 0.273 3.222 191 HE1 TRP 28 1HE TRP 28 11.340 -0.088 0.674 192 HE3 TRP 28 3HE TRP 28 6.921 2.502 2.207 193 HZ2 TRP 28 2HZ TRP 28 9.613 0.496 -1.481 194 HZ3 TRP 28 3HZ TRP 28 6.133 2.559 -0.123 195 HH2 TRP 28 HH TRP 28 7.452 1.577 -1.928 196 H ASP 29 H ASP 29 11.378 1.799 5.777 197 HA ASP 29 HA ASP 29 13.525 3.322 4.451 198 HB2 ASP 29 1HB ASP 29 13.425 3.620 6.908 199 HB3 ASP 29 2HB ASP 29 13.628 1.882 7.111 200 H SER 30 H SER 30 15.436 2.177 3.841 201 HA SER 30 HA SER 30 15.056 -0.112 2.381 202 HB2 SER 30 1HB SER 30 17.485 1.176 3.560 203 HB3 SER 30 2HB SER 30 17.646 -0.411 2.807 204 HG SER 30 HG SER 30 16.479 0.641 0.975 205 H GLY 31 H GLY 31 16.393 0.097 5.677 206 HA2 GLY 31 1HA GLY 31 16.186 -1.426 7.413 207 HA3 GLY 31 2HA GLY 31 15.246 -2.462 6.350 208 H ASN 32 H ASN 32 17.040 -2.835 4.269 209 HA ASN 32 HA ASN 32 18.835 -4.739 5.490 210 HB2 ASN 32 1HB ASN 32 18.065 -4.084 2.658 211 HB3 ASN 32 2HB ASN 32 19.434 -5.140 2.998 212 HD21 ASN 32 1HD2 ASN 32 15.993 -4.777 3.105 213 HD22 ASN 32 2HD2 ASN 32 15.622 -6.428 3.454 214 H SER 33 H SER 33 21.106 -4.906 4.477 215 HA SER 33 HA SER 33 22.380 -2.300 4.831 216 HB2 SER 33 1HB SER 33 23.353 -5.140 4.993 217 HB3 SER 33 2HB SER 33 24.497 -3.807 4.829 218 HG SER 33 HG SER 33 23.934 -4.488 7.038 219 H GLU 34 H GLU 34 21.763 -4.706 2.418 220 HA GLU 34 HA GLU 34 23.450 -3.221 0.512 221 HB2 GLU 34 1HB GLU 34 23.680 -5.239 -0.777 222 HB3 GLU 34 2HB GLU 34 24.108 -5.594 0.891 223 HG2 GLU 34 1HG GLU 34 21.935 -6.610 1.256 224 HG3 GLU 34 2HG GLU 34 21.456 -6.210 -0.392 225 HA PRO 35 HA PRO 35 19.826 -2.041 -1.679 226 HB2 PRO 35 1HB PRO 35 20.879 -1.711 -4.160 227 HB3 PRO 35 2HB PRO 35 21.174 -0.581 -2.833 228 HG2 PRO 35 1HG PRO 35 22.912 -2.792 -3.860 229 HG3 PRO 35 2HG PRO 35 23.363 -1.145 -3.379 230 HD2 PRO 35 1HD PRO 35 23.730 -3.287 -1.763 231 HD3 PRO 35 2HD PRO 35 23.366 -1.668 -1.134 232 H VAL 36 H VAL 36 18.352 -3.647 -1.875 233 HA VAL 36 HA VAL 36 18.844 -6.069 -3.308 234 HB VAL 36 HB VAL 36 16.415 -6.497 -2.972 235 HG11 VAL 36 1HG1 VAL 36 17.470 -7.413 -1.201 236 HG12 VAL 36 2HG1 VAL 36 18.354 -5.932 -0.825 237 HG13 VAL 36 3HG1 VAL 36 16.673 -6.110 -0.320 238 HG21 VAL 36 1HG2 VAL 36 15.665 -4.579 -1.128 239 HG22 VAL 36 2HG2 VAL 36 16.447 -3.648 -2.405 240 HG23 VAL 36 3HG2 VAL 36 15.092 -4.708 -2.791 241 H THR 37 H THR 37 17.683 -6.804 -5.184 242 HA THR 37 HA THR 37 17.881 -5.258 -7.415 243 HB THR 37 HB THR 37 15.770 -7.384 -6.998 244 HG1 THR 37 1HG THR 37 17.465 -8.717 -7.978 245 HG21 THR 37 1HG2 THR 37 15.615 -5.876 -9.048 246 HG22 THR 37 2HG2 THR 37 15.689 -7.613 -9.346 247 HG23 THR 37 3HG2 THR 37 17.127 -6.617 -9.572 248 H TYR 38 H TYR 38 14.813 -5.859 -5.689 249 HA TYR 38 HA TYR 38 13.962 -3.142 -6.124 250 HB2 TYR 38 1HB TYR 38 12.094 -3.554 -7.519 251 HB3 TYR 38 2HB TYR 38 13.440 -4.394 -8.281 252 HD1 TYR 38 2HD TYR 38 13.628 -6.887 -8.011 253 HD2 TYR 38 1HD TYR 38 10.166 -4.725 -6.809 254 HE1 TYR 38 2HE TYR 38 12.333 -8.978 -8.000 255 HE2 TYR 38 1HE TYR 38 8.862 -6.810 -6.794 256 HH TYR 38 HH TYR 38 9.584 -9.441 -8.291 257 H TYR 39 H TYR 39 11.466 -3.059 -5.457 258 HA TYR 39 HA TYR 39 11.120 -4.783 -3.095 259 HB2 TYR 39 1HB TYR 39 10.812 -1.793 -3.301 260 HB3 TYR 39 2HB TYR 39 10.047 -2.723 -2.018 261 HD1 TYR 39 1HD TYR 39 13.369 -2.028 -3.551 262 HD2 TYR 39 2HD TYR 39 11.231 -3.219 -0.071 263 HE1 TYR 39 1HE TYR 39 15.450 -1.923 -2.244 264 HE2 TYR 39 2HE TYR 39 13.306 -3.117 1.246 265 HH TYR 39 HH TYR 39 15.874 -3.331 0.651 266 H GLY 40 H GLY 40 9.130 -5.626 -2.800 267 HA2 GLY 40 1HA GLY 40 7.136 -5.049 -4.866 268 HA3 GLY 40 2HA GLY 40 7.151 -6.448 -3.803 269 H ILE 41 H ILE 41 4.789 -5.313 -4.067 270 HA ILE 41 HA ILE 41 4.332 -4.140 -1.442 271 HB ILE 41 HB ILE 41 3.377 -2.810 -3.980 272 HG12 ILE 41 1HG1 ILE 41 5.178 -1.781 -1.777 273 HG13 ILE 41 2HG1 ILE 41 5.733 -2.342 -3.350 274 HG21 ILE 41 1HG2 ILE 41 2.134 -2.921 -1.465 275 HG22 ILE 41 2HG2 ILE 41 2.863 -1.321 -1.586 276 HG23 ILE 41 3HG2 ILE 41 1.732 -1.869 -2.822 277 HD11 ILE 41 1HD1 ILE 41 3.681 -0.329 -3.610 278 HD12 ILE 41 2HD1 ILE 41 5.048 0.244 -2.653 279 HD13 ILE 41 3HD1 ILE 41 5.311 -0.378 -4.282 280 H GLN 42 H GLN 42 2.497 -4.858 -0.524 281 HA GLN 42 HA GLN 42 0.553 -6.246 -2.248 282 HB2 GLN 42 1HB GLN 42 1.804 -7.106 0.334 283 HB3 GLN 42 2HB GLN 42 0.182 -7.654 -0.070 284 HG2 GLN 42 1HG GLN 42 0.964 -8.733 -2.050 285 HG3 GLN 42 2HG GLN 42 2.569 -8.029 -1.860 286 HE21 GLN 42 1HE2 GLN 42 3.957 -8.849 -0.297 287 HE22 GLN 42 2HE2 GLN 42 3.693 -10.382 0.455 288 H TYR 43 H TYR 43 -1.512 -5.650 -2.024 289 HA TYR 43 HA TYR 43 -2.540 -4.578 0.440 290 HB2 TYR 43 1HB TYR 43 -3.157 -2.395 -0.395 291 HB3 TYR 43 2HB TYR 43 -1.419 -2.603 -0.583 292 HD1 TYR 43 1HD TYR 43 -0.621 -3.443 -2.922 293 HD2 TYR 43 2HD TYR 43 -4.419 -1.666 -2.200 294 HE1 TYR 43 1HE TYR 43 -0.809 -2.888 -5.311 295 HE2 TYR 43 2HE TYR 43 -4.618 -1.107 -4.587 296 HH TYR 43 HH TYR 43 -3.552 -2.155 -6.818 297 H ARG 44 H ARG 44 -4.809 -4.463 0.483 298 HA ARG 44 HA ARG 44 -6.474 -4.799 -1.760 299 HB2 ARG 44 1HB ARG 44 -7.128 -7.096 -1.592 300 HB3 ARG 44 2HB ARG 44 -5.376 -7.051 -1.733 301 HG2 ARG 44 1HG ARG 44 -5.485 -8.515 -0.032 302 HG3 ARG 44 2HG ARG 44 -5.614 -7.048 0.939 303 HD2 ARG 44 1HD ARG 44 -8.072 -7.230 0.831 304 HD3 ARG 44 2HD ARG 44 -7.900 -8.736 -0.070 305 HE ARG 44 HE ARG 44 -7.555 -9.797 1.912 306 HH11 ARG 44 2HH1 ARG 44 -6.773 -6.429 2.319 307 HH12 ARG 44 1HH1 ARG 44 -6.461 -6.572 4.017 308 HH21 ARG 44 2HH2 ARG 44 -7.147 -9.998 4.148 309 HH22 ARG 44 1HH2 ARG 44 -6.673 -8.603 5.056 310 H ALA 45 H ALA 45 -8.731 -5.684 -0.980 311 HA ALA 45 HA ALA 45 -9.851 -3.937 0.772 312 HB1 ALA 45 1HB ALA 45 -11.201 -5.358 -0.627 313 HB2 ALA 45 2HB ALA 45 -10.696 -6.788 0.275 314 HB3 ALA 45 3HB ALA 45 -11.696 -5.562 1.053 315 H ALA 46 H ALA 46 -9.085 -3.476 2.744 316 HA ALA 46 HA ALA 46 -7.833 -5.311 4.477 317 HB1 ALA 46 1HB ALA 46 -7.306 -3.043 4.788 318 HB2 ALA 46 2HB ALA 46 -9.004 -2.578 4.908 319 HB3 ALA 46 3HB ALA 46 -8.246 -3.495 6.210 320 H GLY 47 H GLY 47 -8.822 -7.021 5.340 321 HA2 GLY 47 1HA GLY 47 -10.268 -7.731 7.170 322 HA3 GLY 47 2HA GLY 47 -11.468 -6.592 6.578 323 H THR 48 H THR 48 -11.381 -7.186 3.850 324 HA THR 48 HA THR 48 -13.138 -9.373 3.710 325 HB THR 48 HB THR 48 -11.565 -8.171 1.425 326 HG1 THR 48 1HG THR 48 -13.052 -6.815 2.903 327 HG21 THR 48 1HG2 THR 48 -14.288 -9.099 0.938 328 HG22 THR 48 2HG2 THR 48 -13.194 -10.391 1.435 329 HG23 THR 48 3HG2 THR 48 -12.810 -9.402 0.026 330 H GLU 49 H GLU 49 -12.882 -11.487 3.145 331 HA GLU 49 HA GLU 49 -10.193 -12.557 3.333 332 HB2 GLU 49 1HB GLU 49 -12.205 -13.540 4.522 333 HB3 GLU 49 2HB GLU 49 -12.756 -14.101 2.950 334 HG2 GLU 49 1HG GLU 49 -10.691 -15.401 2.705 335 HG3 GLU 49 2HG GLU 49 -10.179 -14.865 4.304 336 H GLY 50 H GLY 50 -9.634 -11.485 1.231 337 HA2 GLY 50 1HA GLY 50 -10.198 -13.365 -0.966 338 HA3 GLY 50 2HA GLY 50 -10.331 -11.633 -1.233 339 HA PRO 51 HA PRO 51 -5.981 -13.174 -2.158 340 HB2 PRO 51 1HB PRO 51 -5.972 -12.504 -4.789 341 HB3 PRO 51 2HB PRO 51 -6.518 -14.079 -4.200 342 HG2 PRO 51 1HG PRO 51 -8.136 -11.684 -4.983 343 HG3 PRO 51 2HG PRO 51 -8.419 -13.395 -5.352 344 HD2 PRO 51 1HD PRO 51 -9.741 -12.093 -3.380 345 HD3 PRO 51 2HD PRO 51 -9.341 -13.820 -3.283 346 H PHE 52 H PHE 52 -4.313 -11.804 -1.925 347 HA PHE 52 HA PHE 52 -4.834 -8.967 -1.861 348 HB2 PHE 52 1HB PHE 52 -2.372 -10.610 -1.258 349 HB3 PHE 52 2HB PHE 52 -2.413 -8.854 -1.140 350 HD1 PHE 52 2HD PHE 52 -4.112 -11.908 0.127 351 HD2 PHE 52 1HD PHE 52 -3.074 -7.841 0.833 352 HE1 PHE 52 2HE PHE 52 -4.981 -12.089 2.422 353 HE2 PHE 52 1HE PHE 52 -3.940 -8.015 3.130 354 HZ PHE 52 HZ PHE 52 -4.896 -10.141 3.926 355 H GLN 53 H GLN 53 -3.237 -7.440 -2.864 356 HA GLN 53 HA GLN 53 -2.909 -8.158 -5.668 357 HB2 GLN 53 1HB GLN 53 -2.604 -5.507 -4.248 358 HB3 GLN 53 2HB GLN 53 -2.454 -5.741 -5.984 359 HG2 GLN 53 1HG GLN 53 -4.946 -6.516 -4.516 360 HG3 GLN 53 2HG GLN 53 -4.671 -4.863 -5.064 361 HE21 GLN 53 1HE2 GLN 53 -3.793 -4.872 -7.447 362 HE22 GLN 53 2HE2 GLN 53 -4.744 -5.804 -8.547 363 H GLU 54 H GLU 54 -0.923 -7.491 -6.812 364 HA GLU 54 HA GLU 54 1.476 -7.502 -5.127 365 HB2 GLU 54 1HB GLU 54 0.983 -9.834 -5.872 366 HB3 GLU 54 2HB GLU 54 1.129 -9.291 -7.538 367 HG2 GLU 54 1HG GLU 54 3.445 -8.722 -7.197 368 HG3 GLU 54 2HG GLU 54 3.322 -9.123 -5.485 369 H VAL 55 H VAL 55 2.960 -6.070 -5.763 370 HA VAL 55 HA VAL 55 2.904 -5.106 -8.540 371 HB VAL 55 HB VAL 55 3.104 -3.338 -6.098 372 HG11 VAL 55 1HG1 VAL 55 3.496 -1.523 -7.483 373 HG12 VAL 55 2HG1 VAL 55 4.468 -2.788 -8.235 374 HG13 VAL 55 3HG1 VAL 55 2.899 -2.358 -8.917 375 HG21 VAL 55 1HG2 VAL 55 0.951 -3.496 -8.205 376 HG22 VAL 55 2HG2 VAL 55 0.825 -4.147 -6.571 377 HG23 VAL 55 3HG2 VAL 55 0.984 -2.408 -6.818 378 H ASP 56 H ASP 56 4.835 -5.265 -9.454 379 HA ASP 56 HA ASP 56 7.220 -5.217 -7.722 380 HB2 ASP 56 1HB ASP 56 8.303 -6.669 -9.429 381 HB3 ASP 56 2HB ASP 56 6.920 -7.431 -8.649 382 H GLY 57 H GLY 57 9.010 -4.053 -8.390 383 HA2 GLY 57 1HA GLY 57 10.200 -2.893 -10.187 384 HA3 GLY 57 2HA GLY 57 8.632 -2.395 -10.805 385 H VAL 58 H VAL 58 9.760 -2.349 -7.452 386 HA VAL 58 HA VAL 58 9.455 0.584 -7.490 387 HB VAL 58 HB VAL 58 9.093 -1.188 -5.075 388 HG11 VAL 58 1HG1 VAL 58 8.822 0.688 -3.902 389 HG12 VAL 58 2HG1 VAL 58 9.490 1.542 -5.294 390 HG13 VAL 58 3HG1 VAL 58 7.743 1.378 -5.114 391 HG21 VAL 58 1HG2 VAL 58 6.617 -0.136 -5.777 392 HG22 VAL 58 2HG2 VAL 58 7.304 -0.710 -7.296 393 HG23 VAL 58 3HG2 VAL 58 7.135 -1.815 -5.932 394 H ALA 59 H ALA 59 11.643 0.952 -7.976 395 HA ALA 59 HA ALA 59 13.681 -0.088 -6.188 396 HB1 ALA 59 1HB ALA 59 14.859 1.802 -7.860 397 HB2 ALA 59 2HB ALA 59 14.863 0.050 -8.065 398 HB3 ALA 59 3HB ALA 59 13.619 1.027 -8.847 399 H THR 60 H THR 60 11.631 1.723 -5.138 400 HA THR 60 HA THR 60 13.438 3.766 -4.051 401 HB THR 60 HB THR 60 11.439 5.349 -4.015 402 HG1 THR 60 1HG THR 60 10.072 4.736 -6.009 403 HG21 THR 60 1HG2 THR 60 12.945 4.544 -6.473 404 HG22 THR 60 2HG2 THR 60 13.109 5.995 -5.484 405 HG23 THR 60 3HG2 THR 60 11.728 5.816 -6.566 406 H THR 61 H THR 61 12.495 4.791 -2.049 407 HA THR 61 HA THR 61 11.415 2.673 -0.363 408 HB THR 61 HB THR 61 11.938 4.223 1.519 409 HG1 THR 61 1HG THR 61 12.530 6.220 1.114 410 HG21 THR 61 1HG2 THR 61 14.444 4.110 -0.068 411 HG22 THR 61 2HG2 THR 61 13.603 2.588 0.229 412 HG23 THR 61 3HG2 THR 61 14.127 3.586 1.585 413 H ARG 62 H ARG 62 10.307 5.377 -2.058 414 HA ARG 62 HA ARG 62 7.883 5.501 -0.385 415 HB2 ARG 62 1HB ARG 62 9.200 7.605 -0.395 416 HB3 ARG 62 2HB ARG 62 9.012 7.687 -2.141 417 HG2 ARG 62 1HG ARG 62 6.677 8.037 -1.965 418 HG3 ARG 62 2HG ARG 62 6.681 7.637 -0.246 419 HD2 ARG 62 1HD ARG 62 6.524 10.018 -0.468 420 HD3 ARG 62 2HD ARG 62 8.126 9.621 0.150 421 HE ARG 62 HE ARG 62 9.049 10.442 -1.786 422 HH11 ARG 62 2HH1 ARG 62 5.612 10.072 -2.197 423 HH12 ARG 62 1HH1 ARG 62 5.571 10.913 -3.712 424 HH21 ARG 62 2HH2 ARG 62 9.008 11.551 -3.778 425 HH22 ARG 62 1HH2 ARG 62 7.504 11.753 -4.610 426 H TYR 63 H TYR 63 6.157 4.643 -1.315 427 HA TYR 63 HA TYR 63 5.783 4.952 -4.205 428 HB2 TYR 63 1HB TYR 63 6.759 2.711 -3.808 429 HB3 TYR 63 2HB TYR 63 5.418 2.334 -2.733 430 HD1 TYR 63 2HD TYR 63 3.142 2.045 -3.646 431 HD2 TYR 63 1HD TYR 63 6.501 2.642 -6.189 432 HE1 TYR 63 2HE TYR 63 1.830 1.229 -5.561 433 HE2 TYR 63 1HE TYR 63 5.198 1.830 -8.110 434 HH TYR 63 HH TYR 63 2.630 1.723 -8.680 435 H SER 64 H SER 64 3.683 5.196 -4.856 436 HA SER 64 HA SER 64 1.674 5.304 -2.703 437 HB2 SER 64 1HB SER 64 0.569 7.080 -3.923 438 HB3 SER 64 2HB SER 64 2.271 7.502 -3.735 439 HG SER 64 HG SER 64 2.575 6.665 -5.888 440 H ILE 65 H ILE 65 -0.298 4.354 -2.999 441 HA ILE 65 HA ILE 65 -0.536 2.617 -5.357 442 HB ILE 65 HB ILE 65 -1.919 2.413 -2.679 443 HG12 ILE 65 1HG1 ILE 65 -0.491 0.169 -2.833 444 HG13 ILE 65 2HG1 ILE 65 0.528 1.179 -3.852 445 HG21 ILE 65 1HG2 ILE 65 -3.034 0.530 -3.424 446 HG22 ILE 65 2HG2 ILE 65 -3.093 1.580 -4.839 447 HG23 ILE 65 3HG2 ILE 65 -1.914 0.270 -4.762 448 HD11 ILE 65 1HD1 ILE 65 0.493 2.848 -1.927 449 HD12 ILE 65 2HD1 ILE 65 -0.148 1.522 -0.957 450 HD13 ILE 65 3HD1 ILE 65 1.436 1.373 -1.717 451 H GLY 66 H GLY 66 -2.222 2.778 -6.733 452 HA2 GLY 66 1HA GLY 66 -4.359 4.696 -6.034 453 HA3 GLY 66 2HA GLY 66 -3.610 4.677 -7.624 454 H GLY 67 H GLY 67 -6.250 4.489 -7.639 455 HA2 GLY 67 1HA GLY 67 -7.796 3.174 -8.779 456 HA3 GLY 67 2HA GLY 67 -6.682 1.819 -8.676 457 H LEU 68 H LEU 68 -7.585 3.649 -5.851 458 HA LEU 68 HA LEU 68 -8.996 1.277 -4.844 459 HB2 LEU 68 1HB LEU 68 -7.797 3.584 -3.319 460 HB3 LEU 68 2HB LEU 68 -8.545 2.152 -2.613 461 HG LEU 68 HG LEU 68 -6.061 2.073 -4.318 462 HD11 LEU 68 1HD1 LEU 68 -6.366 2.232 -1.328 463 HD12 LEU 68 2HD1 LEU 68 -5.502 3.347 -2.385 464 HD13 LEU 68 3HD1 LEU 68 -4.889 1.712 -2.139 465 HD21 LEU 68 1HD2 LEU 68 -6.719 -0.085 -4.362 466 HD22 LEU 68 2HD2 LEU 68 -7.739 0.082 -2.933 467 HD23 LEU 68 3HD2 LEU 68 -5.995 -0.112 -2.753 468 H SER 69 H SER 69 -10.725 1.833 -3.160 469 HA SER 69 HA SER 69 -12.534 3.772 -4.389 470 HB2 SER 69 1HB SER 69 -13.649 1.734 -4.136 471 HB3 SER 69 2HB SER 69 -12.914 1.414 -2.566 472 HG SER 69 HG SER 69 -14.958 2.050 -2.116 473 HA PRO 70 HA PRO 70 -12.045 6.743 -1.182 474 HB2 PRO 70 1HB PRO 70 -14.442 8.003 -1.378 475 HB3 PRO 70 2HB PRO 70 -13.152 8.202 -2.569 476 HG2 PRO 70 1HG PRO 70 -15.582 6.457 -2.682 477 HG3 PRO 70 2HG PRO 70 -14.873 7.471 -3.953 478 HD2 PRO 70 1HD PRO 70 -14.483 4.794 -3.838 479 HD3 PRO 70 2HD PRO 70 -13.257 5.911 -4.470 480 H PHE 71 H PHE 71 -12.412 6.893 0.969 481 HA PHE 71 HA PHE 71 -13.232 6.452 3.044 482 HB2 PHE 71 1HB PHE 71 -15.383 7.281 1.736 483 HB3 PHE 71 2HB PHE 71 -15.882 5.608 1.959 484 HD1 PHE 71 2HD PHE 71 -14.351 8.346 3.984 485 HD2 PHE 71 1HD PHE 71 -17.176 5.168 3.792 486 HE1 PHE 71 2HE PHE 71 -15.101 8.879 6.266 487 HE2 PHE 71 1HE PHE 71 -17.931 5.696 6.073 488 HZ PHE 71 HZ PHE 71 -16.892 7.553 7.314 489 H SER 72 H SER 72 -11.927 4.391 1.560 490 HA SER 72 HA SER 72 -13.267 1.996 2.636 491 HB2 SER 72 1HB SER 72 -12.217 0.692 0.892 492 HB3 SER 72 2HB SER 72 -13.043 2.058 0.144 493 HG SER 72 HG SER 72 -10.855 3.101 0.350 494 H GLU 73 H GLU 73 -11.616 0.177 3.054 495 HA GLU 73 HA GLU 73 -9.233 1.318 4.359 496 HB2 GLU 73 1HB GLU 73 -11.218 0.480 5.836 497 HB3 GLU 73 2HB GLU 73 -10.611 -1.119 5.430 498 HG2 GLU 73 1HG GLU 73 -8.409 -0.479 6.337 499 HG3 GLU 73 2HG GLU 73 -9.090 1.074 6.819 500 H TYR 74 H TYR 74 -7.329 0.312 4.012 501 HA TYR 74 HA TYR 74 -7.297 -2.361 2.842 502 HB2 TYR 74 1HB TYR 74 -6.225 0.115 1.509 503 HB3 TYR 74 2HB TYR 74 -5.569 -1.477 1.146 504 HD1 TYR 74 1HD TYR 74 -8.791 0.397 1.238 505 HD2 TYR 74 2HD TYR 74 -6.564 -2.785 -0.499 506 HE1 TYR 74 1HE TYR 74 -10.596 0.033 -0.392 507 HE2 TYR 74 2HE TYR 74 -8.362 -3.157 -2.136 508 HH TYR 74 HH TYR 74 -11.078 -0.972 -2.411 509 H ALA 75 H ALA 75 -5.283 -3.436 3.029 510 HA ALA 75 HA ALA 75 -3.536 -2.262 5.085 511 HB1 ALA 75 1HB ALA 75 -3.224 -4.328 5.992 512 HB2 ALA 75 2HB ALA 75 -4.833 -4.560 5.306 513 HB3 ALA 75 3HB ALA 75 -3.413 -5.159 4.447 514 H PHE 76 H PHE 76 -1.694 -1.459 4.337 515 HA PHE 76 HA PHE 76 -0.557 -2.525 1.860 516 HB2 PHE 76 1HB PHE 76 0.245 -0.051 3.404 517 HB3 PHE 76 2HB PHE 76 0.781 -0.500 1.788 518 HD1 PHE 76 1HD PHE 76 -0.741 -0.339 -0.116 519 HD2 PHE 76 2HD PHE 76 -1.903 0.931 3.777 520 HE1 PHE 76 1HE PHE 76 -2.631 0.901 -1.088 521 HE2 PHE 76 2HE PHE 76 -3.795 2.171 2.811 522 HZ PHE 76 HZ PHE 76 -4.162 2.157 0.375 523 H ARG 77 H ARG 77 1.603 -3.188 1.705 524 HA ARG 77 HA ARG 77 3.297 -3.296 4.021 525 HB2 ARG 77 1HB ARG 77 3.435 -5.734 4.164 526 HB3 ARG 77 2HB ARG 77 1.803 -5.176 4.502 527 HG2 ARG 77 1HG ARG 77 1.149 -5.762 2.204 528 HG3 ARG 77 2HG ARG 77 2.778 -6.379 1.921 529 HD2 ARG 77 1HD ARG 77 1.605 -8.298 2.467 530 HD3 ARG 77 2HD ARG 77 2.322 -7.838 4.010 531 HE ARG 77 HE ARG 77 -0.304 -6.756 3.619 532 HH11 ARG 77 2HH1 ARG 77 1.498 -9.547 4.662 533 HH12 ARG 77 1HH1 ARG 77 0.231 -10.147 5.679 534 HH21 ARG 77 2HH2 ARG 77 -1.980 -7.537 4.955 535 HH22 ARG 77 1HH2 ARG 77 -1.748 -9.004 5.844 536 H VAL 78 H VAL 78 5.388 -3.380 3.429 537 HA VAL 78 HA VAL 78 5.963 -3.944 0.596 538 HB VAL 78 HB VAL 78 7.646 -2.294 2.482 539 HG11 VAL 78 1HG1 VAL 78 7.703 -2.758 -0.492 540 HG12 VAL 78 2HG1 VAL 78 8.583 -1.451 0.302 541 HG13 VAL 78 3HG1 VAL 78 8.959 -3.130 0.688 542 HG21 VAL 78 1HG2 VAL 78 5.843 -0.906 2.332 543 HG22 VAL 78 2HG2 VAL 78 6.678 -0.444 0.848 544 HG23 VAL 78 3HG2 VAL 78 5.320 -1.567 0.782 545 H LEU 79 H LEU 79 7.967 -4.995 0.080 546 HA LEU 79 HA LEU 79 9.354 -6.367 2.241 547 HB2 LEU 79 1HB LEU 79 9.096 -8.561 1.163 548 HB3 LEU 79 2HB LEU 79 7.569 -7.901 1.744 549 HG LEU 79 HG LEU 79 8.356 -7.578 -1.127 550 HD11 LEU 79 1HD1 LEU 79 7.771 -9.684 -1.730 551 HD12 LEU 79 2HD1 LEU 79 6.665 -9.888 -0.372 552 HD13 LEU 79 3HD1 LEU 79 8.404 -10.045 -0.123 553 HD21 LEU 79 1HD2 LEU 79 5.928 -7.318 0.538 554 HD22 LEU 79 2HD2 LEU 79 5.709 -7.982 -1.081 555 HD23 LEU 79 3HD2 LEU 79 6.445 -6.392 -0.871 556 H ALA 80 H ALA 80 11.440 -6.975 1.733 557 HA ALA 80 HA ALA 80 12.596 -5.667 -0.557 558 HB1 ALA 80 1HB ALA 80 14.735 -6.408 0.362 559 HB2 ALA 80 2HB ALA 80 13.741 -5.635 1.596 560 HB3 ALA 80 3HB ALA 80 13.886 -7.392 1.554 561 H VAL 81 H VAL 81 13.533 -6.595 -2.338 562 HA VAL 81 HA VAL 81 13.551 -9.503 -2.586 563 HB VAL 81 HB VAL 81 12.264 -7.843 -4.743 564 HG11 VAL 81 1HG1 VAL 81 12.920 -10.666 -4.340 565 HG12 VAL 81 2HG1 VAL 81 11.267 -10.380 -4.889 566 HG13 VAL 81 3HG1 VAL 81 12.628 -9.769 -5.830 567 HG21 VAL 81 1HG2 VAL 81 10.972 -9.228 -2.404 568 HG22 VAL 81 2HG2 VAL 81 10.817 -7.539 -2.889 569 HG23 VAL 81 3HG2 VAL 81 10.097 -8.810 -3.877 570 H ASN 82 H ASN 82 15.409 -10.125 -3.457 571 HA ASN 82 HA ASN 82 16.701 -8.412 -5.456 572 HB2 ASN 82 1HB ASN 82 18.793 -8.426 -4.393 573 HB3 ASN 82 2HB ASN 82 17.661 -8.129 -3.077 574 HD21 ASN 82 1HD2 ASN 82 17.293 -9.724 -1.553 575 HD22 ASN 82 2HD2 ASN 82 18.326 -11.099 -1.387 576 H SER 83 H SER 83 18.842 -9.757 -6.159 577 HA SER 83 HA SER 83 18.157 -11.696 -7.866 578 HB2 SER 83 1HB SER 83 20.492 -10.734 -7.401 579 HB3 SER 83 2HB SER 83 20.666 -12.039 -6.228 580 HG SER 83 HG SER 83 21.354 -12.332 -8.575 581 H ILE 84 H ILE 84 18.755 -12.197 -4.423 582 HA ILE 84 HA ILE 84 18.572 -15.005 -4.419 583 HB ILE 84 HB ILE 84 17.791 -13.158 -2.163 584 HG12 ILE 84 1HG1 ILE 84 20.120 -12.851 -3.275 585 HG13 ILE 84 2HG1 ILE 84 20.028 -12.991 -1.523 586 HG21 ILE 84 1HG2 ILE 84 18.242 -16.066 -2.422 587 HG22 ILE 84 2HG2 ILE 84 18.904 -15.291 -0.984 588 HG23 ILE 84 3HG2 ILE 84 17.180 -15.173 -1.334 589 HD11 ILE 84 1HD1 ILE 84 21.306 -14.799 -1.530 590 HD12 ILE 84 2HD1 ILE 84 20.326 -15.574 -2.775 591 HD13 ILE 84 3HD1 ILE 84 21.623 -14.470 -3.233 592 H GLY 85 H GLY 85 16.111 -12.614 -3.416 593 HA2 GLY 85 1HA GLY 85 13.951 -13.516 -4.800 594 HA3 GLY 85 2HA GLY 85 14.038 -14.614 -3.431 595 H ARG 86 H ARG 86 11.827 -13.572 -3.178 596 HA ARG 86 HA ARG 86 11.926 -10.927 -1.950 597 HB2 ARG 86 1HB ARG 86 9.449 -11.127 -1.903 598 HB3 ARG 86 2HB ARG 86 10.128 -11.289 -3.517 599 HG2 ARG 86 1HG ARG 86 9.936 -13.742 -3.313 600 HG3 ARG 86 2HG ARG 86 9.159 -13.520 -1.744 601 HD2 ARG 86 1HD ARG 86 7.230 -12.695 -2.662 602 HD3 ARG 86 2HD ARG 86 8.052 -12.063 -4.088 603 HE ARG 86 HE ARG 86 6.854 -14.630 -3.805 604 HH11 ARG 86 2HH1 ARG 86 9.479 -12.930 -5.333 605 HH12 ARG 86 1HH1 ARG 86 9.602 -14.042 -6.656 606 HH21 ARG 86 2HH2 ARG 86 7.005 -16.101 -5.541 607 HH22 ARG 86 1HH2 ARG 86 8.193 -15.845 -6.774 608 H GLY 87 H GLY 87 12.287 -10.749 0.156 609 HA2 GLY 87 1HA GLY 87 12.125 -13.001 1.921 610 HA3 GLY 87 2HA GLY 87 12.530 -11.351 2.371 611 HA PRO 88 HA PRO 88 8.353 -12.408 4.121 612 HB2 PRO 88 1HB PRO 88 8.915 -11.543 6.632 613 HB3 PRO 88 2HB PRO 88 9.264 -13.186 6.082 614 HG2 PRO 88 1HG PRO 88 11.103 -10.835 6.314 615 HG3 PRO 88 2HG PRO 88 11.387 -12.527 6.763 616 HD2 PRO 88 1HD PRO 88 12.325 -11.454 4.461 617 HD3 PRO 88 2HD PRO 88 11.844 -13.158 4.594 618 HA PRO 89 HA PRO 89 6.944 -8.254 3.618 619 HB2 PRO 89 1HB PRO 89 4.495 -8.505 4.763 620 HB3 PRO 89 2HB PRO 89 4.884 -9.168 3.171 621 HG2 PRO 89 1HG PRO 89 4.776 -10.550 5.825 622 HG3 PRO 89 2HG PRO 89 4.169 -11.099 4.252 623 HD2 PRO 89 1HD PRO 89 6.512 -11.969 5.294 624 HD3 PRO 89 2HD PRO 89 6.253 -11.788 3.547 625 H SER 90 H SER 90 6.584 -6.348 4.784 626 HA SER 90 HA SER 90 7.609 -6.386 7.487 627 HB2 SER 90 1HB SER 90 8.433 -4.628 6.090 628 HB3 SER 90 2HB SER 90 6.801 -4.148 5.623 629 HG SER 90 HG SER 90 7.258 -2.737 7.182 630 H GLU 91 H GLU 91 6.506 -4.914 9.129 631 HA GLU 91 HA GLU 91 4.106 -5.977 9.935 632 HB2 GLU 91 1HB GLU 91 3.866 -3.945 11.369 633 HB3 GLU 91 2HB GLU 91 5.444 -4.713 11.473 634 HG2 GLU 91 1HG GLU 91 6.221 -3.013 9.759 635 HG3 GLU 91 2HG GLU 91 4.706 -2.168 10.070 636 H ALA 92 H ALA 92 2.525 -6.128 8.394 637 HA ALA 92 HA ALA 92 1.717 -4.306 6.519 638 HB1 ALA 92 1HB ALA 92 -0.653 -5.348 7.026 639 HB2 ALA 92 2HB ALA 92 0.632 -6.303 6.285 640 HB3 ALA 92 3HB ALA 92 0.304 -6.455 8.011 641 H VAL 93 H VAL 93 0.753 -2.376 6.517 642 HA VAL 93 HA VAL 93 -0.315 -1.365 9.068 643 HB VAL 93 HB VAL 93 0.119 0.889 8.221 644 HG11 VAL 93 1HG1 VAL 93 2.605 -0.775 7.888 645 HG12 VAL 93 2HG1 VAL 93 2.478 0.884 8.477 646 HG13 VAL 93 3HG1 VAL 93 1.862 -0.450 9.454 647 HG21 VAL 93 1HG2 VAL 93 -0.126 0.080 5.777 648 HG22 VAL 93 2HG2 VAL 93 1.019 1.372 6.135 649 HG23 VAL 93 3HG2 VAL 93 1.597 -0.277 5.892 650 H ARG 94 H ARG 94 -2.277 -0.275 9.119 651 HA ARG 94 HA ARG 94 -3.979 -0.696 6.754 652 HB2 ARG 94 1HB ARG 94 -4.544 -0.760 9.699 653 HB3 ARG 94 2HB ARG 94 -5.839 -0.410 8.562 654 HG2 ARG 94 1HG ARG 94 -5.184 -2.561 7.384 655 HG3 ARG 94 2HG ARG 94 -4.211 -2.916 8.813 656 HD2 ARG 94 1HD ARG 94 -7.074 -2.140 9.141 657 HD3 ARG 94 2HD ARG 94 -6.677 -3.779 8.627 658 HE ARG 94 HE ARG 94 -5.183 -2.989 10.924 659 HH11 ARG 94 2HH1 ARG 94 -8.289 -4.152 9.866 660 HH12 ARG 94 1HH1 ARG 94 -8.673 -4.897 11.383 661 HH21 ARG 94 2HH2 ARG 94 -5.677 -3.964 12.926 662 HH22 ARG 94 1HH2 ARG 94 -7.186 -4.788 13.123 663 H ALA 95 H ALA 95 -4.670 1.042 5.703 664 HA ALA 95 HA ALA 95 -4.995 3.567 7.162 665 HB1 ALA 95 1HB ALA 95 -2.771 3.467 5.962 666 HB2 ALA 95 2HB ALA 95 -3.688 3.470 4.455 667 HB3 ALA 95 3HB ALA 95 -3.808 4.837 5.563 668 H ARG 96 H ARG 96 -6.946 4.391 6.823 669 HA ARG 96 HA ARG 96 -8.599 3.343 4.680 670 HB2 ARG 96 1HB ARG 96 -9.315 3.771 7.135 671 HB3 ARG 96 2HB ARG 96 -9.453 5.452 6.640 672 HG2 ARG 96 1HG ARG 96 -10.976 4.628 4.786 673 HG3 ARG 96 2HG ARG 96 -11.009 3.088 5.647 674 HD2 ARG 96 1HD ARG 96 -11.600 4.640 7.694 675 HD3 ARG 96 2HD ARG 96 -12.146 5.729 6.420 676 HE ARG 96 HE ARG 96 -13.992 4.419 6.236 677 HH11 ARG 96 2HH1 ARG 96 -11.381 2.452 7.435 678 HH12 ARG 96 1HH1 ARG 96 -12.350 1.024 7.579 679 HH21 ARG 96 2HH2 ARG 96 -15.279 2.544 6.422 680 HH22 ARG 96 1HH2 ARG 96 -14.567 1.077 7.002 681 H THR 97 H THR 97 -8.902 4.319 2.795 682 HA THR 97 HA THR 97 -7.606 6.748 2.131 683 HB THR 97 HB THR 97 -8.554 6.526 -0.049 684 HG1 THR 97 1HG THR 97 -10.319 5.177 -0.453 685 HG21 THR 97 1HG2 THR 97 -6.851 4.899 0.332 686 HG22 THR 97 2HG2 THR 97 -8.151 4.090 -0.542 687 HG23 THR 97 3HG2 THR 97 -7.968 3.843 1.195 688 H GLY 98 H GLY 98 -8.606 8.714 1.346 689 HA2 GLY 98 1HA GLY 98 -10.705 9.600 3.107 690 HA3 GLY 98 2HA GLY 98 -9.868 10.573 1.907 691 H GLU 99 H GLU 99 -12.382 11.161 2.003 692 HA GLU 99 HA GLU 99 -13.754 9.554 -0.044 693 HB2 GLU 99 1HB GLU 99 -15.831 10.602 0.753 694 HB3 GLU 99 2HB GLU 99 -14.995 9.747 2.042 695 HG2 GLU 99 1HG GLU 99 -15.551 11.664 3.130 696 HG3 GLU 99 2HG GLU 99 -13.965 12.117 2.507 697 H GLN 100 H GLN 100 -14.637 10.530 -1.857 698 HA GLN 100 HA GLN 100 -14.437 13.378 -2.253 699 HB2 GLN 100 1HB GLN 100 -12.153 12.761 -2.762 700 HB3 GLN 100 2HB GLN 100 -12.700 11.483 -3.840 701 HG2 GLN 100 1HG GLN 100 -11.956 13.352 -5.140 702 HG3 GLN 100 2HG GLN 100 -13.704 13.191 -5.305 703 HE21 GLN 100 1HE2 GLN 100 -11.517 14.724 -2.963 704 HE22 GLN 100 2HE2 GLN 100 -12.297 16.265 -2.987 705 H SER 101 H SER 101 -16.346 13.809 -3.126 706 HA SER 101 HA SER 101 -18.339 13.473 -4.225 707 HB2 SER 101 1HB SER 101 -16.616 14.356 -5.918 708 HB3 SER 101 2HB SER 101 -16.574 12.709 -6.548 709 HG SER 101 HG SER 101 -18.621 12.894 -7.225 710 H GLY 102 H GLY 102 -17.476 11.130 -2.814 711 HA2 GLY 102 1HA GLY 102 -17.480 8.746 -4.178 712 HA3 GLY 102 2HA GLY 102 -18.204 8.959 -2.592 713 HA PRO 103 HA PRO 103 -21.430 7.849 -5.851 714 HB2 PRO 103 1HB PRO 103 -22.126 5.440 -4.809 715 HB3 PRO 103 2HB PRO 103 -20.840 5.634 -6.006 716 HG2 PRO 103 1HG PRO 103 -20.633 5.345 -3.034 717 HG3 PRO 103 2HG PRO 103 -19.653 4.587 -4.302 718 HD2 PRO 103 1HD PRO 103 -18.807 6.745 -2.903 719 HD3 PRO 103 2HD PRO 103 -18.351 6.466 -4.596 720 H SER 104 H SER 104 -22.663 9.527 -4.912 721 HA SER 104 HA SER 104 -24.793 8.614 -3.223 722 HB2 SER 104 1HB SER 104 -22.890 10.715 -2.159 723 HB3 SER 104 2HB SER 104 -24.446 10.303 -1.437 724 HG SER 104 HG SER 104 -22.135 9.157 -0.980 725 H SER 105 H SER 105 -26.605 9.634 -3.788 726 HA SER 105 HA SER 105 -26.468 11.799 -5.690 727 HB2 SER 105 1HB SER 105 -28.860 10.417 -4.448 728 HB3 SER 105 2HB SER 105 -28.925 11.563 -5.787 729 HG SER 105 HG SER 105 -27.221 9.376 -6.054 730 H GLY 106 H GLY 106 -26.382 13.869 -5.145 731 HA2 GLY 106 1HA GLY 106 -27.670 15.678 -4.035 732 HA3 GLY 106 2HA GLY 106 -27.614 14.687 -2.585 Start of MODEL 20 1 H1 GLY 1 H GLY 1 10.392 -17.888 18.578 2 HA2 GLY 1 1HA GLY 1 10.445 -16.487 16.541 3 HA3 GLY 1 2HA GLY 1 11.717 -15.562 17.324 4 H SER 2 H SER 2 10.950 -18.854 16.223 5 HA SER 2 HA SER 2 13.778 -19.137 15.449 6 HB2 SER 2 1HB SER 2 11.974 -21.050 16.881 7 HB3 SER 2 2HB SER 2 13.229 -21.686 15.818 8 HG SER 2 HG SER 2 14.723 -21.049 17.182 9 H SER 3 H SER 3 13.644 -18.759 13.301 10 HA SER 3 HA SER 3 12.356 -20.756 11.670 11 HB2 SER 3 1HB SER 3 11.301 -17.968 11.867 12 HB3 SER 3 2HB SER 3 11.302 -18.752 10.287 13 HG SER 3 HG SER 3 9.789 -19.293 12.538 14 H GLY 4 H GLY 4 13.570 -21.154 9.927 15 HA2 GLY 4 1HA GLY 4 15.969 -19.658 9.491 16 HA3 GLY 4 2HA GLY 4 15.406 -21.023 8.538 17 H SER 5 H SER 5 15.781 -17.651 8.674 18 HA SER 5 HA SER 5 13.874 -17.075 6.571 19 HB2 SER 5 1HB SER 5 14.609 -14.768 6.792 20 HB3 SER 5 2HB SER 5 14.330 -15.444 8.397 21 HG SER 5 HG SER 5 16.375 -15.214 8.840 22 H SER 6 H SER 6 14.293 -16.920 4.452 23 HA SER 6 HA SER 6 17.106 -17.063 3.585 24 HB2 SER 6 1HB SER 6 14.740 -18.433 2.282 25 HB3 SER 6 2HB SER 6 16.409 -18.489 1.715 26 HG SER 6 HG SER 6 15.359 -19.549 4.125 27 H GLY 7 H GLY 7 17.448 -14.992 2.967 28 HA2 GLY 7 1HA GLY 7 17.160 -13.845 0.687 29 HA3 GLY 7 2HA GLY 7 15.473 -13.748 1.168 30 HA PRO 8 HA PRO 8 17.613 -9.848 2.493 31 HB2 PRO 8 1HB PRO 8 15.708 -8.184 1.506 32 HB3 PRO 8 2HB PRO 8 17.059 -8.780 0.535 33 HG2 PRO 8 1HG PRO 8 14.232 -9.758 0.648 34 HG3 PRO 8 2HG PRO 8 15.274 -9.508 -0.765 35 HD2 PRO 8 1HD PRO 8 14.850 -11.953 0.318 36 HD3 PRO 8 2HD PRO 8 16.383 -11.505 -0.458 37 H LYS 9 H LYS 9 16.599 -8.020 3.794 38 HA LYS 9 HA LYS 9 14.745 -9.203 5.722 39 HB2 LYS 9 1HB LYS 9 16.341 -6.646 5.946 40 HB3 LYS 9 2HB LYS 9 15.463 -7.451 7.240 41 HG2 LYS 9 1HG LYS 9 17.605 -8.942 5.807 42 HG3 LYS 9 2HG LYS 9 18.053 -7.720 6.999 43 HD2 LYS 9 1HD LYS 9 16.076 -9.904 7.602 44 HD3 LYS 9 2HD LYS 9 17.813 -10.116 7.832 45 HE2 LYS 9 1HE LYS 9 16.506 -7.713 9.005 46 HE3 LYS 9 2HE LYS 9 16.248 -9.273 9.786 47 HZ1 LYS 9 1HZ LYS 9 18.999 -8.682 9.108 48 HZ2 LYS 9 2HZ LYS 9 18.350 -9.343 10.523 49 HZ3 LYS 9 3HZ LYS 9 18.327 -7.668 10.285 50 HA PRO 10 HA PRO 10 11.315 -6.740 4.515 51 HB2 PRO 10 1HB PRO 10 10.057 -6.426 6.901 52 HB3 PRO 10 2HB PRO 10 10.075 -7.958 6.018 53 HG2 PRO 10 1HG PRO 10 11.769 -7.080 8.326 54 HG3 PRO 10 2HG PRO 10 10.985 -8.646 8.045 55 HD2 PRO 10 1HD PRO 10 13.617 -8.227 7.563 56 HD3 PRO 10 2HD PRO 10 12.639 -9.357 6.605 57 HA PRO 11 HA PRO 11 12.373 -2.506 5.173 58 HB2 PRO 11 1HB PRO 11 10.043 -1.359 4.381 59 HB3 PRO 11 2HB PRO 11 11.198 -2.070 3.247 60 HG2 PRO 11 1HG PRO 11 8.678 -3.237 4.365 61 HG3 PRO 11 2HG PRO 11 9.294 -3.288 2.702 62 HD2 PRO 11 1HD PRO 11 9.543 -5.372 4.413 63 HD3 PRO 11 2HD PRO 11 10.751 -5.014 3.161 64 H ILE 12 H ILE 12 12.008 -0.784 6.590 65 HA ILE 12 HA ILE 12 10.038 -1.311 8.719 66 HB ILE 12 HB ILE 12 11.553 -0.152 10.278 67 HG12 ILE 12 1HG1 ILE 12 13.536 -0.230 7.994 68 HG13 ILE 12 2HG1 ILE 12 12.729 1.221 8.578 69 HG21 ILE 12 1HG2 ILE 12 13.485 -2.087 9.516 70 HG22 ILE 12 2HG2 ILE 12 12.259 -2.194 10.778 71 HG23 ILE 12 3HG2 ILE 12 11.886 -2.729 9.140 72 HD11 ILE 12 1HD1 ILE 12 15.078 -0.121 9.581 73 HD12 ILE 12 2HD1 ILE 12 14.469 1.499 9.919 74 HD13 ILE 12 3HD1 ILE 12 13.873 0.122 10.845 75 H ASP 13 H ASP 13 9.751 0.842 10.064 76 HA ASP 13 HA ASP 13 8.815 2.914 10.135 77 HB2 ASP 13 1HB ASP 13 11.195 3.352 9.095 78 HB3 ASP 13 2HB ASP 13 10.265 3.722 7.645 79 H LEU 14 H LEU 14 7.459 0.847 8.690 80 HA LEU 14 HA LEU 14 6.397 1.829 6.249 81 HB2 LEU 14 1HB LEU 14 6.407 -0.571 7.321 82 HB3 LEU 14 2HB LEU 14 4.862 -0.045 7.986 83 HG LEU 14 HG LEU 14 3.969 0.266 5.758 84 HD11 LEU 14 1HD1 LEU 14 5.521 0.909 4.255 85 HD12 LEU 14 2HD1 LEU 14 5.622 -0.823 3.940 86 HD13 LEU 14 3HD1 LEU 14 6.800 -0.050 5.000 87 HD21 LEU 14 1HD2 LEU 14 4.884 -2.304 5.071 88 HD22 LEU 14 2HD2 LEU 14 3.393 -1.871 5.909 89 HD23 LEU 14 3HD2 LEU 14 4.851 -2.236 6.834 90 H VAL 15 H VAL 15 5.547 3.856 6.395 91 HA VAL 15 HA VAL 15 3.030 4.089 7.857 92 HB VAL 15 HB VAL 15 4.874 6.431 8.000 93 HG11 VAL 15 1HG1 VAL 15 3.582 6.444 10.304 94 HG12 VAL 15 2HG1 VAL 15 2.831 7.041 8.823 95 HG13 VAL 15 3HG1 VAL 15 2.459 5.419 9.409 96 HG21 VAL 15 1HG2 VAL 15 6.276 4.657 8.831 97 HG22 VAL 15 2HG2 VAL 15 5.707 5.623 10.193 98 HG23 VAL 15 3HG2 VAL 15 4.973 4.055 9.856 99 H VAL 16 H VAL 16 1.613 5.676 7.027 100 HA VAL 16 HA VAL 16 2.275 6.508 4.286 101 HB VAL 16 HB VAL 16 0.358 5.230 4.091 102 HG11 VAL 16 1HG1 VAL 16 -0.334 6.312 6.784 103 HG12 VAL 16 2HG1 VAL 16 -1.615 5.681 5.747 104 HG13 VAL 16 3HG1 VAL 16 -0.272 4.641 6.225 105 HG21 VAL 16 1HG2 VAL 16 0.149 7.864 3.539 106 HG22 VAL 16 2HG2 VAL 16 -1.098 6.677 3.153 107 HG23 VAL 16 3HG2 VAL 16 -1.232 7.653 4.616 108 H THR 17 H THR 17 2.501 8.596 3.826 109 HA THR 17 HA THR 17 2.062 10.565 5.909 110 HB THR 17 HB THR 17 4.130 10.618 4.543 111 HG1 THR 17 1HG THR 17 2.814 12.588 5.401 112 HG21 THR 17 1HG2 THR 17 2.317 11.500 2.294 113 HG22 THR 17 2HG2 THR 17 3.075 9.912 2.407 114 HG23 THR 17 3HG2 THR 17 4.073 11.356 2.244 115 H GLU 18 H GLU 18 0.931 9.957 2.596 116 HA GLU 18 HA GLU 18 -1.351 11.736 3.151 117 HB2 GLU 18 1HB GLU 18 0.266 11.415 0.633 118 HB3 GLU 18 2HB GLU 18 -1.367 12.067 0.602 119 HG2 GLU 18 1HG GLU 18 -0.562 13.765 2.306 120 HG3 GLU 18 2HG GLU 18 1.069 13.216 1.921 121 H THR 19 H THR 19 -3.366 11.127 2.298 122 HA THR 19 HA THR 19 -3.558 8.461 1.100 123 HB THR 19 HB THR 19 -5.676 8.266 2.713 124 HG1 THR 19 1HG THR 19 -4.957 10.340 3.719 125 HG21 THR 19 1HG2 THR 19 -3.298 7.509 4.212 126 HG22 THR 19 2HG2 THR 19 -3.202 7.047 2.513 127 HG23 THR 19 3HG2 THR 19 -4.554 6.496 3.501 128 H THR 20 H THR 20 -4.563 8.828 -0.765 129 HA THR 20 HA THR 20 -6.597 10.917 -0.942 130 HB THR 20 HB THR 20 -5.858 9.287 -3.321 131 HG1 THR 20 1HG THR 20 -4.114 11.034 -1.932 132 HG21 THR 20 1HG2 THR 20 -5.717 11.873 -4.061 133 HG22 THR 20 2HG2 THR 20 -6.816 12.010 -2.689 134 HG23 THR 20 3HG2 THR 20 -7.219 10.951 -4.040 135 H ALA 21 H ALA 21 -8.606 10.464 -2.131 136 HA ALA 21 HA ALA 21 -10.041 8.340 -1.009 137 HB1 ALA 21 1HB ALA 21 -10.603 10.580 -2.641 138 HB2 ALA 21 2HB ALA 21 -11.312 9.165 -3.420 139 HB3 ALA 21 3HB ALA 21 -11.736 9.560 -1.754 140 H THR 22 H THR 22 -8.268 8.599 -4.014 141 HA THR 22 HA THR 22 -8.890 5.770 -4.559 142 HB THR 22 HB THR 22 -8.762 6.188 -6.946 143 HG1 THR 22 1HG THR 22 -7.711 8.568 -6.103 144 HG21 THR 22 1HG2 THR 22 -10.952 6.441 -5.909 145 HG22 THR 22 2HG2 THR 22 -10.767 7.589 -7.235 146 HG23 THR 22 3HG2 THR 22 -10.612 8.137 -5.566 147 H SER 23 H SER 23 -6.595 7.498 -3.315 148 HA SER 23 HA SER 23 -4.475 5.843 -4.412 149 HB2 SER 23 1HB SER 23 -4.182 8.855 -4.340 150 HB3 SER 23 2HB SER 23 -2.975 7.691 -4.886 151 HG SER 23 HG SER 23 -4.240 7.214 -6.641 152 H VAL 24 H VAL 24 -2.407 6.165 -3.148 153 HA VAL 24 HA VAL 24 -2.676 7.308 -0.509 154 HB VAL 24 HB VAL 24 -3.682 5.311 0.135 155 HG11 VAL 24 1HG1 VAL 24 -3.701 3.578 -1.251 156 HG12 VAL 24 2HG1 VAL 24 -2.347 4.251 -2.160 157 HG13 VAL 24 3HG1 VAL 24 -2.046 3.205 -0.772 158 HG21 VAL 24 1HG2 VAL 24 -0.825 4.504 0.543 159 HG22 VAL 24 2HG2 VAL 24 -1.485 5.932 1.340 160 HG23 VAL 24 3HG2 VAL 24 -2.194 4.346 1.643 161 H THR 25 H THR 25 -0.707 7.566 0.555 162 HA THR 25 HA THR 25 1.668 6.917 -1.068 163 HB THR 25 HB THR 25 1.433 9.217 0.876 164 HG1 THR 25 1HG THR 25 1.388 10.413 -1.239 165 HG21 THR 25 1HG2 THR 25 3.380 10.000 -0.652 166 HG22 THR 25 2HG2 THR 25 3.500 8.296 -1.088 167 HG23 THR 25 3HG2 THR 25 3.700 8.793 0.592 168 H LEU 26 H LEU 26 2.885 5.388 -0.189 169 HA LEU 26 HA LEU 26 2.947 5.140 2.744 170 HB2 LEU 26 1HB LEU 26 2.114 3.231 1.201 171 HB3 LEU 26 2HB LEU 26 3.826 2.988 0.859 172 HG LEU 26 HG LEU 26 4.106 2.770 3.399 173 HD11 LEU 26 1HD1 LEU 26 1.160 2.886 3.121 174 HD12 LEU 26 2HD1 LEU 26 2.198 3.414 4.444 175 HD13 LEU 26 3HD1 LEU 26 1.824 1.702 4.247 176 HD21 LEU 26 1HD2 LEU 26 2.576 0.687 1.844 177 HD22 LEU 26 2HD2 LEU 26 3.482 0.398 3.329 178 HD23 LEU 26 3HD2 LEU 26 4.327 0.900 1.864 179 H THR 27 H THR 27 4.928 4.799 3.792 180 HA THR 27 HA THR 27 7.348 5.227 2.181 181 HB THR 27 HB THR 27 8.223 6.872 3.662 182 HG1 THR 27 1HG THR 27 6.907 7.546 5.507 183 HG21 THR 27 1HG2 THR 27 5.858 8.342 3.771 184 HG22 THR 27 2HG2 THR 27 5.651 7.262 2.392 185 HG23 THR 27 3HG2 THR 27 7.043 8.343 2.466 186 H TRP 28 H TRP 28 9.287 4.436 3.111 187 HA TRP 28 HA TRP 28 9.325 3.113 5.637 188 HB2 TRP 28 1HB TRP 28 9.554 0.823 4.873 189 HB3 TRP 28 2HB TRP 28 8.020 1.475 4.303 190 HD1 TRP 28 HD TRP 28 11.367 0.174 3.059 191 HE1 TRP 28 1HE TRP 28 11.262 -0.101 0.502 192 HE3 TRP 28 3HE TRP 28 6.880 2.461 2.183 193 HZ2 TRP 28 2HZ TRP 28 9.508 0.565 -1.608 194 HZ3 TRP 28 3HZ TRP 28 6.060 2.601 -0.133 195 HH2 TRP 28 HH TRP 28 7.348 1.672 -1.988 196 H ASP 29 H ASP 29 11.399 1.582 5.652 197 HA ASP 29 HA ASP 29 13.535 3.050 4.248 198 HB2 ASP 29 1HB ASP 29 13.362 3.393 6.769 199 HB3 ASP 29 2HB ASP 29 13.850 1.708 6.931 200 H SER 30 H SER 30 15.367 1.862 3.581 201 HA SER 30 HA SER 30 14.961 -0.500 2.298 202 HB2 SER 30 1HB SER 30 17.581 0.305 3.584 203 HB3 SER 30 2HB SER 30 17.377 -0.782 2.210 204 HG SER 30 HG SER 30 17.884 1.614 1.896 205 H GLY 31 H GLY 31 16.273 -0.139 5.587 206 HA2 GLY 31 1HA GLY 31 16.084 -1.571 7.393 207 HA3 GLY 31 2HA GLY 31 15.081 -2.622 6.405 208 H ASN 32 H ASN 32 16.729 -3.283 4.340 209 HA ASN 32 HA ASN 32 18.604 -5.049 5.677 210 HB2 ASN 32 1HB ASN 32 18.902 -5.732 3.113 211 HB3 ASN 32 2HB ASN 32 17.543 -6.299 4.079 212 HD21 ASN 32 1HD2 ASN 32 15.531 -5.772 3.485 213 HD22 ASN 32 2HD2 ASN 32 15.134 -4.734 2.163 214 H SER 33 H SER 33 20.814 -5.252 5.073 215 HA SER 33 HA SER 33 22.008 -2.690 4.348 216 HB2 SER 33 1HB SER 33 23.931 -3.383 5.455 217 HB3 SER 33 2HB SER 33 22.678 -4.215 6.374 218 HG SER 33 HG SER 33 23.133 -5.960 4.684 219 H GLU 34 H GLU 34 21.784 -6.003 3.221 220 HA GLU 34 HA GLU 34 23.767 -5.811 1.201 221 HB2 GLU 34 1HB GLU 34 21.590 -7.715 1.889 222 HB3 GLU 34 2HB GLU 34 22.215 -7.770 0.247 223 HG2 GLU 34 1HG GLU 34 24.468 -8.125 1.109 224 HG3 GLU 34 2HG GLU 34 23.849 -8.060 2.758 225 HA PRO 35 HA PRO 35 21.737 -3.640 -2.027 226 HB2 PRO 35 1HB PRO 35 22.723 -4.900 -4.220 227 HB3 PRO 35 2HB PRO 35 23.694 -3.816 -3.217 228 HG2 PRO 35 1HG PRO 35 23.581 -6.807 -3.213 229 HG3 PRO 35 2HG PRO 35 24.994 -5.741 -3.110 230 HD2 PRO 35 1HD PRO 35 23.911 -6.939 -0.936 231 HD3 PRO 35 2HD PRO 35 24.688 -5.344 -0.860 232 H VAL 36 H VAL 36 19.586 -3.902 -2.202 233 HA VAL 36 HA VAL 36 18.506 -6.476 -3.077 234 HB VAL 36 HB VAL 36 16.823 -4.109 -2.325 235 HG11 VAL 36 1HG1 VAL 36 15.160 -5.569 -2.503 236 HG12 VAL 36 2HG1 VAL 36 16.318 -6.771 -3.077 237 HG13 VAL 36 3HG1 VAL 36 15.943 -6.656 -1.357 238 HG21 VAL 36 1HG2 VAL 36 17.938 -4.072 -0.360 239 HG22 VAL 36 2HG2 VAL 36 16.921 -5.467 -0.003 240 HG23 VAL 36 3HG2 VAL 36 18.575 -5.703 -0.566 241 H THR 37 H THR 37 17.154 -6.691 -4.868 242 HA THR 37 HA THR 37 17.776 -4.982 -7.071 243 HB THR 37 HB THR 37 15.712 -7.189 -6.922 244 HG1 THR 37 1HG THR 37 18.296 -7.419 -8.050 245 HG21 THR 37 1HG2 THR 37 15.876 -7.255 -9.334 246 HG22 THR 37 2HG2 THR 37 17.104 -5.989 -9.319 247 HG23 THR 37 3HG2 THR 37 15.452 -5.621 -8.827 248 H TYR 38 H TYR 38 14.767 -5.702 -5.307 249 HA TYR 38 HA TYR 38 13.830 -3.020 -5.583 250 HB2 TYR 38 1HB TYR 38 11.994 -3.336 -7.052 251 HB3 TYR 38 2HB TYR 38 13.385 -4.044 -7.866 252 HD1 TYR 38 1HD TYR 38 10.223 -4.759 -6.141 253 HD2 TYR 38 2HD TYR 38 13.526 -6.425 -8.243 254 HE1 TYR 38 1HE TYR 38 8.994 -6.875 -6.384 255 HE2 TYR 38 2HE TYR 38 12.306 -8.545 -8.492 256 HH TYR 38 HH TYR 38 10.515 -9.740 -7.730 257 H TYR 39 H TYR 39 11.545 -2.818 -4.728 258 HA TYR 39 HA TYR 39 11.075 -4.872 -2.667 259 HB2 TYR 39 1HB TYR 39 10.688 -1.879 -2.499 260 HB3 TYR 39 2HB TYR 39 10.133 -3.015 -1.275 261 HD1 TYR 39 1HD TYR 39 13.264 -2.136 -3.121 262 HD2 TYR 39 2HD TYR 39 11.503 -3.394 0.542 263 HE1 TYR 39 1HE TYR 39 15.467 -2.028 -2.032 264 HE2 TYR 39 2HE TYR 39 13.701 -3.288 1.641 265 HH TYR 39 HH TYR 39 15.830 -2.533 1.434 266 H GLY 40 H GLY 40 9.259 -5.963 -2.987 267 HA2 GLY 40 1HA GLY 40 7.249 -5.056 -4.820 268 HA3 GLY 40 2HA GLY 40 7.198 -6.528 -3.861 269 H ILE 41 H ILE 41 4.937 -4.983 -4.276 270 HA ILE 41 HA ILE 41 4.396 -4.092 -1.533 271 HB ILE 41 HB ILE 41 3.528 -2.592 -4.007 272 HG12 ILE 41 1HG1 ILE 41 5.439 -1.824 -1.790 273 HG13 ILE 41 2HG1 ILE 41 5.888 -2.221 -3.445 274 HG21 ILE 41 1HG2 ILE 41 2.201 -1.253 -2.711 275 HG22 ILE 41 2HG2 ILE 41 2.018 -2.786 -1.860 276 HG23 ILE 41 3HG2 ILE 41 3.130 -1.564 -1.244 277 HD11 ILE 41 1HD1 ILE 41 4.684 0.241 -2.340 278 HD12 ILE 41 2HD1 ILE 41 5.892 0.033 -3.608 279 HD13 ILE 41 3HD1 ILE 41 4.187 -0.249 -3.959 280 H GLN 42 H GLN 42 2.528 -4.835 -0.718 281 HA GLN 42 HA GLN 42 0.570 -5.999 -2.584 282 HB2 GLN 42 1HB GLN 42 1.726 -7.147 -0.064 283 HB3 GLN 42 2HB GLN 42 0.124 -7.628 -0.608 284 HG2 GLN 42 1HG GLN 42 1.825 -9.203 -1.339 285 HG3 GLN 42 2HG GLN 42 1.049 -8.411 -2.710 286 HE21 GLN 42 1HE2 GLN 42 3.546 -7.122 -0.588 287 HE22 GLN 42 2HE2 GLN 42 4.753 -6.948 -1.811 288 H TYR 43 H TYR 43 -1.579 -5.699 -2.116 289 HA TYR 43 HA TYR 43 -2.473 -4.634 0.387 290 HB2 TYR 43 1HB TYR 43 -3.284 -2.482 -0.470 291 HB3 TYR 43 2HB TYR 43 -1.532 -2.592 -0.589 292 HD1 TYR 43 1HD TYR 43 -0.477 -3.005 -2.815 293 HD2 TYR 43 2HD TYR 43 -4.634 -2.196 -2.403 294 HE1 TYR 43 1HE TYR 43 -0.601 -2.457 -5.209 295 HE2 TYR 43 2HE TYR 43 -4.769 -1.646 -4.797 296 HH TYR 43 HH TYR 43 -3.423 -1.024 -6.621 297 H ARG 44 H ARG 44 -4.762 -4.508 0.536 298 HA ARG 44 HA ARG 44 -6.400 -5.195 -1.729 299 HB2 ARG 44 1HB ARG 44 -6.993 -7.351 -1.209 300 HB3 ARG 44 2HB ARG 44 -5.318 -7.359 -0.673 301 HG2 ARG 44 1HG ARG 44 -5.980 -7.076 1.610 302 HG3 ARG 44 2HG ARG 44 -7.665 -6.844 1.137 303 HD2 ARG 44 1HD ARG 44 -7.792 -9.119 0.333 304 HD3 ARG 44 2HD ARG 44 -6.076 -9.362 0.661 305 HE ARG 44 HE ARG 44 -7.397 -8.586 3.027 306 HH11 ARG 44 2HH1 ARG 44 -7.094 -11.287 0.851 307 HH12 ARG 44 1HH1 ARG 44 -7.430 -12.473 2.068 308 HH21 ARG 44 2HH2 ARG 44 -7.842 -10.138 4.638 309 HH22 ARG 44 1HH2 ARG 44 -7.857 -11.818 4.221 310 H ALA 45 H ALA 45 -8.740 -5.645 -0.898 311 HA ALA 45 HA ALA 45 -9.467 -3.393 0.719 312 HB1 ALA 45 1HB ALA 45 -11.781 -4.142 0.312 313 HB2 ALA 45 2HB ALA 45 -10.841 -4.000 -1.174 314 HB3 ALA 45 3HB ALA 45 -11.152 -5.590 -0.475 315 H ALA 46 H ALA 46 -9.165 -3.483 2.855 316 HA ALA 46 HA ALA 46 -9.021 -5.796 4.416 317 HB1 ALA 46 1HB ALA 46 -9.212 -4.304 6.346 318 HB2 ALA 46 2HB ALA 46 -8.099 -3.661 5.138 319 HB3 ALA 46 3HB ALA 46 -9.725 -2.994 5.282 320 H GLY 47 H GLY 47 -10.657 -7.235 4.416 321 HA2 GLY 47 1HA GLY 47 -12.730 -7.498 5.892 322 HA3 GLY 47 2HA GLY 47 -13.387 -6.222 4.879 323 H THR 48 H THR 48 -12.942 -6.805 2.398 324 HA THR 48 HA THR 48 -14.677 -8.898 1.773 325 HB THR 48 HB THR 48 -12.674 -7.383 0.118 326 HG1 THR 48 1HG THR 48 -14.419 -6.265 -0.457 327 HG21 THR 48 1HG2 THR 48 -12.806 -9.649 -0.815 328 HG22 THR 48 2HG2 THR 48 -13.571 -8.469 -1.879 329 HG23 THR 48 3HG2 THR 48 -14.564 -9.521 -0.871 330 H GLU 49 H GLU 49 -14.336 -10.945 0.833 331 HA GLU 49 HA GLU 49 -11.902 -12.247 1.765 332 HB2 GLU 49 1HB GLU 49 -14.295 -13.552 0.472 333 HB3 GLU 49 2HB GLU 49 -13.055 -14.317 1.456 334 HG2 GLU 49 1HG GLU 49 -13.861 -12.823 3.350 335 HG3 GLU 49 2HG GLU 49 -15.259 -12.483 2.331 336 H GLY 50 H GLY 50 -11.031 -10.731 -0.149 337 HA2 GLY 50 1HA GLY 50 -10.885 -12.456 -2.546 338 HA3 GLY 50 2HA GLY 50 -10.839 -10.701 -2.622 339 HA PRO 51 HA PRO 51 -6.513 -12.623 -2.336 340 HB2 PRO 51 1HB PRO 51 -5.707 -12.068 -4.868 341 HB3 PRO 51 2HB PRO 51 -6.504 -13.581 -4.424 342 HG2 PRO 51 1HG PRO 51 -7.663 -11.132 -5.697 343 HG3 PRO 51 2HG PRO 51 -7.944 -12.838 -6.092 344 HD2 PRO 51 1HD PRO 51 -9.683 -11.378 -4.617 345 HD3 PRO 51 2HD PRO 51 -9.446 -13.119 -4.366 346 H PHE 52 H PHE 52 -4.458 -11.428 -2.663 347 HA PHE 52 HA PHE 52 -4.896 -8.571 -2.211 348 HB2 PHE 52 1HB PHE 52 -2.509 -10.352 -1.692 349 HB3 PHE 52 2HB PHE 52 -2.513 -8.613 -1.415 350 HD1 PHE 52 2HD PHE 52 -4.101 -11.793 -0.393 351 HD2 PHE 52 1HD PHE 52 -3.404 -7.702 0.553 352 HE1 PHE 52 2HE PHE 52 -5.026 -12.160 1.857 353 HE2 PHE 52 1HE PHE 52 -4.327 -8.062 2.805 354 HZ PHE 52 HZ PHE 52 -5.141 -10.293 3.459 355 H GLN 53 H GLN 53 -3.329 -7.032 -3.138 356 HA GLN 53 HA GLN 53 -3.023 -7.524 -5.963 357 HB2 GLN 53 1HB GLN 53 -2.715 -5.162 -4.161 358 HB3 GLN 53 2HB GLN 53 -1.940 -5.125 -5.740 359 HG2 GLN 53 1HG GLN 53 -4.833 -5.829 -5.487 360 HG3 GLN 53 2HG GLN 53 -4.309 -4.145 -5.466 361 HE21 GLN 53 1HE2 GLN 53 -5.397 -3.727 -7.396 362 HE22 GLN 53 2HE2 GLN 53 -4.797 -4.276 -8.920 363 H GLU 54 H GLU 54 -0.886 -6.595 -6.956 364 HA GLU 54 HA GLU 54 1.482 -7.242 -5.413 365 HB2 GLU 54 1HB GLU 54 0.477 -9.366 -6.573 366 HB3 GLU 54 2HB GLU 54 1.181 -8.672 -8.027 367 HG2 GLU 54 1HG GLU 54 3.375 -8.614 -6.873 368 HG3 GLU 54 2HG GLU 54 2.634 -9.454 -5.512 369 H VAL 55 H VAL 55 3.013 -5.819 -5.893 370 HA VAL 55 HA VAL 55 3.111 -4.690 -8.607 371 HB VAL 55 HB VAL 55 3.358 -3.103 -6.048 372 HG11 VAL 55 1HG1 VAL 55 3.555 -1.153 -7.562 373 HG12 VAL 55 2HG1 VAL 55 4.916 -2.270 -7.688 374 HG13 VAL 55 3HG1 VAL 55 3.661 -2.263 -8.928 375 HG21 VAL 55 1HG2 VAL 55 1.146 -2.911 -6.208 376 HG22 VAL 55 2HG2 VAL 55 1.409 -1.981 -7.684 377 HG23 VAL 55 3HG2 VAL 55 1.123 -3.719 -7.776 378 H ASP 56 H ASP 56 5.046 -4.952 -9.484 379 HA ASP 56 HA ASP 56 7.393 -5.094 -7.706 380 HB2 ASP 56 1HB ASP 56 8.374 -6.767 -9.106 381 HB3 ASP 56 2HB ASP 56 6.730 -7.290 -8.750 382 H GLY 57 H GLY 57 9.128 -3.866 -8.221 383 HA2 GLY 57 1HA GLY 57 10.478 -2.895 -10.073 384 HA3 GLY 57 2HA GLY 57 8.955 -2.319 -10.735 385 H VAL 58 H VAL 58 9.732 -2.268 -7.316 386 HA VAL 58 HA VAL 58 9.683 0.673 -7.428 387 HB VAL 58 HB VAL 58 9.190 -1.034 -4.991 388 HG11 VAL 58 1HG1 VAL 58 8.116 1.712 -5.347 389 HG12 VAL 58 2HG1 VAL 58 8.649 0.884 -3.882 390 HG13 VAL 58 3HG1 VAL 58 9.838 1.535 -5.012 391 HG21 VAL 58 1HG2 VAL 58 7.227 -1.601 -5.875 392 HG22 VAL 58 2HG2 VAL 58 6.773 0.100 -5.783 393 HG23 VAL 58 3HG2 VAL 58 7.477 -0.546 -7.265 394 H ALA 59 H ALA 59 11.912 0.881 -7.896 395 HA ALA 59 HA ALA 59 13.860 -0.210 -6.055 396 HB1 ALA 59 1HB ALA 59 15.142 1.648 -7.688 397 HB2 ALA 59 2HB ALA 59 15.084 -0.101 -7.907 398 HB3 ALA 59 3HB ALA 59 13.894 0.927 -8.705 399 H THR 60 H THR 60 11.828 1.737 -5.110 400 HA THR 60 HA THR 60 13.697 3.719 -3.995 401 HB THR 60 HB THR 60 11.583 5.232 -3.867 402 HG1 THR 60 1HG THR 60 10.856 3.870 -6.225 403 HG21 THR 60 1HG2 THR 60 12.026 5.810 -6.419 404 HG22 THR 60 2HG2 THR 60 13.379 4.704 -6.178 405 HG23 THR 60 3HG2 THR 60 13.227 6.143 -5.171 406 H THR 61 H THR 61 12.772 4.755 -1.972 407 HA THR 61 HA THR 61 11.838 2.625 -0.230 408 HB THR 61 HB THR 61 12.201 4.378 1.581 409 HG1 THR 61 1HG THR 61 13.375 6.207 0.967 410 HG21 THR 61 1HG2 THR 61 14.768 4.065 0.123 411 HG22 THR 61 2HG2 THR 61 13.888 2.594 0.539 412 HG23 THR 61 3HG2 THR 61 14.372 3.720 1.806 413 H ARG 62 H ARG 62 10.486 5.157 -1.994 414 HA ARG 62 HA ARG 62 8.068 5.100 -0.311 415 HB2 ARG 62 1HB ARG 62 9.469 7.381 -1.623 416 HB3 ARG 62 2HB ARG 62 7.712 7.425 -1.549 417 HG2 ARG 62 1HG ARG 62 7.882 7.084 0.917 418 HG3 ARG 62 2HG ARG 62 9.631 7.267 0.761 419 HD2 ARG 62 1HD ARG 62 7.625 9.326 -0.145 420 HD3 ARG 62 2HD ARG 62 8.425 9.351 1.426 421 HE ARG 62 HE ARG 62 9.519 10.207 -1.048 422 HH11 ARG 62 2HH1 ARG 62 10.352 8.645 1.950 423 HH12 ARG 62 1HH1 ARG 62 12.008 9.153 1.905 424 HH21 ARG 62 2HH2 ARG 62 11.696 10.883 -1.118 425 HH22 ARG 62 1HH2 ARG 62 12.771 10.427 0.160 426 H TYR 63 H TYR 63 6.096 4.925 -1.341 427 HA TYR 63 HA TYR 63 5.898 4.983 -4.214 428 HB2 TYR 63 1HB TYR 63 6.824 2.742 -3.890 429 HB3 TYR 63 2HB TYR 63 5.545 2.363 -2.742 430 HD1 TYR 63 2HD TYR 63 3.255 1.976 -3.515 431 HD2 TYR 63 1HD TYR 63 6.405 2.752 -6.267 432 HE1 TYR 63 2HE TYR 63 1.845 1.150 -5.353 433 HE2 TYR 63 1HE TYR 63 5.003 1.930 -8.113 434 HH TYR 63 HH TYR 63 2.837 1.431 -8.699 435 H SER 64 H SER 64 3.758 5.008 -4.958 436 HA SER 64 HA SER 64 1.732 5.272 -2.834 437 HB2 SER 64 1HB SER 64 2.201 7.430 -3.866 438 HB3 SER 64 2HB SER 64 1.924 6.751 -5.470 439 HG SER 64 HG SER 64 -0.246 6.178 -4.363 440 H ILE 65 H ILE 65 -0.230 4.292 -3.101 441 HA ILE 65 HA ILE 65 -0.427 2.427 -5.365 442 HB ILE 65 HB ILE 65 -1.853 2.326 -2.704 443 HG12 ILE 65 1HG1 ILE 65 -0.327 0.148 -2.663 444 HG13 ILE 65 2HG1 ILE 65 0.680 1.125 -3.726 445 HG21 ILE 65 1HG2 ILE 65 -2.780 0.278 -3.362 446 HG22 ILE 65 2HG2 ILE 65 -2.983 1.327 -4.765 447 HG23 ILE 65 3HG2 ILE 65 -1.691 0.127 -4.740 448 HD11 ILE 65 1HD1 ILE 65 -0.287 2.235 -1.130 449 HD12 ILE 65 2HD1 ILE 65 1.109 1.159 -1.185 450 HD13 ILE 65 3HD1 ILE 65 1.131 2.678 -2.080 451 H GLY 66 H GLY 66 -2.157 2.437 -6.715 452 HA2 GLY 66 1HA GLY 66 -4.301 4.384 -6.131 453 HA3 GLY 66 2HA GLY 66 -3.562 4.275 -7.722 454 H GLY 67 H GLY 67 -6.238 4.051 -7.596 455 HA2 GLY 67 1HA GLY 67 -7.743 2.639 -8.708 456 HA3 GLY 67 2HA GLY 67 -6.629 1.300 -8.469 457 H LEU 68 H LEU 68 -7.514 3.348 -5.804 458 HA LEU 68 HA LEU 68 -8.947 1.081 -4.612 459 HB2 LEU 68 1HB LEU 68 -7.987 3.527 -3.161 460 HB3 LEU 68 2HB LEU 68 -8.407 1.952 -2.491 461 HG LEU 68 HG LEU 68 -5.980 2.550 -4.183 462 HD11 LEU 68 1HD1 LEU 68 -5.497 3.535 -2.149 463 HD12 LEU 68 2HD1 LEU 68 -4.875 1.900 -1.932 464 HD13 LEU 68 3HD1 LEU 68 -6.431 2.350 -1.234 465 HD21 LEU 68 1HD2 LEU 68 -5.656 0.153 -2.808 466 HD22 LEU 68 2HD2 LEU 68 -5.936 0.356 -4.538 467 HD23 LEU 68 3HD2 LEU 68 -7.298 0.088 -3.450 468 H SER 69 H SER 69 -10.553 2.028 -2.806 469 HA SER 69 HA SER 69 -12.373 3.825 -4.264 470 HB2 SER 69 1HB SER 69 -12.862 1.499 -2.427 471 HB3 SER 69 2HB SER 69 -14.097 2.741 -2.632 472 HG SER 69 HG SER 69 -14.429 2.106 -4.641 473 HA PRO 70 HA PRO 70 -12.042 6.841 -1.087 474 HB2 PRO 70 1HB PRO 70 -14.487 8.005 -1.275 475 HB3 PRO 70 2HB PRO 70 -13.217 8.239 -2.481 476 HG2 PRO 70 1HG PRO 70 -15.579 6.401 -2.550 477 HG3 PRO 70 2HG PRO 70 -14.920 7.424 -3.839 478 HD2 PRO 70 1HD PRO 70 -14.427 4.766 -3.695 479 HD3 PRO 70 2HD PRO 70 -13.250 5.921 -4.353 480 H PHE 71 H PHE 71 -12.292 6.860 1.067 481 HA PHE 71 HA PHE 71 -13.057 6.394 3.158 482 HB2 PHE 71 1HB PHE 71 -15.226 7.320 1.948 483 HB3 PHE 71 2HB PHE 71 -15.767 5.656 2.144 484 HD1 PHE 71 2HD PHE 71 -13.737 7.829 4.383 485 HD2 PHE 71 1HD PHE 71 -17.360 5.670 3.812 486 HE1 PHE 71 2HE PHE 71 -14.393 8.322 6.703 487 HE2 PHE 71 1HE PHE 71 -18.022 6.161 6.130 488 HZ PHE 71 HZ PHE 71 -16.537 7.487 7.579 489 H SER 72 H SER 72 -11.689 4.390 1.984 490 HA SER 72 HA SER 72 -13.100 1.997 2.953 491 HB2 SER 72 1HB SER 72 -12.121 0.673 1.142 492 HB3 SER 72 2HB SER 72 -13.090 1.990 0.481 493 HG SER 72 HG SER 72 -10.996 3.156 0.389 494 H GLU 73 H GLU 73 -11.637 0.226 3.568 495 HA GLU 73 HA GLU 73 -9.112 1.290 4.644 496 HB2 GLU 73 1HB GLU 73 -11.006 0.427 6.193 497 HB3 GLU 73 2HB GLU 73 -10.482 -1.172 5.683 498 HG2 GLU 73 1HG GLU 73 -8.228 -0.690 6.510 499 HG3 GLU 73 2HG GLU 73 -8.774 0.898 7.045 500 H TYR 74 H TYR 74 -7.220 0.286 4.213 501 HA TYR 74 HA TYR 74 -7.248 -2.329 2.908 502 HB2 TYR 74 1HB TYR 74 -6.180 0.211 1.707 503 HB3 TYR 74 2HB TYR 74 -5.495 -1.349 1.268 504 HD1 TYR 74 1HD TYR 74 -8.808 0.359 1.523 505 HD2 TYR 74 2HD TYR 74 -6.403 -2.490 -0.527 506 HE1 TYR 74 1HE TYR 74 -10.601 0.045 -0.131 507 HE2 TYR 74 2HE TYR 74 -8.189 -2.811 -2.188 508 HH TYR 74 HH TYR 74 -11.190 -2.139 -1.813 509 H ALA 75 H ALA 75 -5.284 -3.472 3.055 510 HA ALA 75 HA ALA 75 -3.493 -2.454 5.152 511 HB1 ALA 75 1HB ALA 75 -3.349 -5.294 4.346 512 HB2 ALA 75 2HB ALA 75 -3.269 -4.560 5.948 513 HB3 ALA 75 3HB ALA 75 -4.829 -4.774 5.153 514 H PHE 76 H PHE 76 -1.635 -1.640 4.462 515 HA PHE 76 HA PHE 76 -0.509 -2.589 1.926 516 HB2 PHE 76 1HB PHE 76 0.211 -0.138 3.546 517 HB3 PHE 76 2HB PHE 76 0.836 -0.546 1.952 518 HD1 PHE 76 1HD PHE 76 -0.553 -0.323 -0.025 519 HD2 PHE 76 2HD PHE 76 -2.014 0.730 3.832 520 HE1 PHE 76 1HE PHE 76 -2.421 0.892 -1.068 521 HE2 PHE 76 2HE PHE 76 -3.885 1.947 2.795 522 HZ PHE 76 HZ PHE 76 -4.090 2.028 0.342 523 H ARG 77 H ARG 77 1.660 -3.219 1.752 524 HA ARG 77 HA ARG 77 3.377 -3.351 4.040 525 HB2 ARG 77 1HB ARG 77 3.490 -5.747 4.276 526 HB3 ARG 77 2HB ARG 77 1.818 -5.240 4.475 527 HG2 ARG 77 1HG ARG 77 1.434 -5.861 2.083 528 HG3 ARG 77 2HG ARG 77 3.058 -6.552 2.072 529 HD2 ARG 77 1HD ARG 77 2.463 -8.128 3.779 530 HD3 ARG 77 2HD ARG 77 0.896 -7.354 4.011 531 HE ARG 77 HE ARG 77 1.645 -9.185 1.901 532 HH11 ARG 77 2HH1 ARG 77 -0.622 -6.785 3.006 533 HH12 ARG 77 1HH1 ARG 77 -1.902 -7.329 1.972 534 HH21 ARG 77 2HH2 ARG 77 -0.031 -9.911 0.535 535 HH22 ARG 77 1HH2 ARG 77 -1.565 -9.108 0.568 536 H VAL 78 H VAL 78 5.376 -3.120 3.298 537 HA VAL 78 HA VAL 78 5.929 -3.812 0.500 538 HB VAL 78 HB VAL 78 7.536 -2.058 2.362 539 HG11 VAL 78 1HG1 VAL 78 8.254 -1.336 -0.135 540 HG12 VAL 78 2HG1 VAL 78 9.119 -2.537 0.826 541 HG13 VAL 78 3HG1 VAL 78 7.942 -3.054 -0.381 542 HG21 VAL 78 1HG2 VAL 78 6.482 -0.515 0.299 543 HG22 VAL 78 2HG2 VAL 78 5.144 -1.537 0.826 544 HG23 VAL 78 3HG2 VAL 78 5.980 -0.509 1.990 545 H LEU 79 H LEU 79 7.675 -5.075 -0.088 546 HA LEU 79 HA LEU 79 9.275 -6.284 2.045 547 HB2 LEU 79 1HB LEU 79 8.977 -8.498 0.770 548 HB3 LEU 79 2HB LEU 79 7.696 -7.961 1.855 549 HG LEU 79 HG LEU 79 6.725 -6.945 -0.394 550 HD11 LEU 79 1HD1 LEU 79 7.758 -9.417 -1.609 551 HD12 LEU 79 2HD1 LEU 79 8.924 -8.105 -1.440 552 HD13 LEU 79 3HD1 LEU 79 7.426 -7.843 -2.333 553 HD21 LEU 79 1HD2 LEU 79 6.092 -9.018 1.254 554 HD22 LEU 79 2HD2 LEU 79 6.277 -9.840 -0.296 555 HD23 LEU 79 3HD2 LEU 79 5.134 -8.505 -0.136 556 H ALA 80 H ALA 80 11.364 -6.573 1.514 557 HA ALA 80 HA ALA 80 12.331 -5.498 -0.949 558 HB1 ALA 80 1HB ALA 80 14.439 -5.635 -0.032 559 HB2 ALA 80 2HB ALA 80 13.433 -5.527 1.413 560 HB3 ALA 80 3HB ALA 80 14.061 -7.090 0.890 561 H VAL 81 H VAL 81 13.536 -6.576 -2.567 562 HA VAL 81 HA VAL 81 13.500 -9.484 -2.614 563 HB VAL 81 HB VAL 81 12.293 -8.003 -4.939 564 HG11 VAL 81 1HG1 VAL 81 11.456 -10.210 -5.547 565 HG12 VAL 81 2HG1 VAL 81 13.212 -10.233 -5.370 566 HG13 VAL 81 3HG1 VAL 81 12.187 -10.898 -4.097 567 HG21 VAL 81 1HG2 VAL 81 10.867 -9.252 -2.594 568 HG22 VAL 81 2HG2 VAL 81 10.840 -7.555 -3.073 569 HG23 VAL 81 3HG2 VAL 81 10.085 -8.773 -4.100 570 H ASN 82 H ASN 82 15.361 -10.194 -3.415 571 HA ASN 82 HA ASN 82 16.773 -8.547 -5.401 572 HB2 ASN 82 1HB ASN 82 18.805 -8.661 -4.278 573 HB3 ASN 82 2HB ASN 82 17.668 -8.461 -2.949 574 HD21 ASN 82 1HD2 ASN 82 17.175 -10.242 -1.638 575 HD22 ASN 82 2HD2 ASN 82 18.212 -11.621 -1.564 576 H SER 83 H SER 83 18.822 -10.000 -6.124 577 HA SER 83 HA SER 83 18.025 -11.857 -7.882 578 HB2 SER 83 1HB SER 83 20.554 -11.649 -6.290 579 HB3 SER 83 2HB SER 83 20.321 -13.028 -7.364 580 HG SER 83 HG SER 83 19.675 -11.123 -8.880 581 H ILE 84 H ILE 84 18.722 -12.512 -4.473 582 HA ILE 84 HA ILE 84 18.364 -15.290 -4.533 583 HB ILE 84 HB ILE 84 17.733 -13.449 -2.224 584 HG12 ILE 84 1HG1 ILE 84 20.038 -13.193 -3.271 585 HG13 ILE 84 2HG1 ILE 84 20.008 -13.601 -1.559 586 HG21 ILE 84 1HG2 ILE 84 17.880 -16.364 -2.554 587 HG22 ILE 84 2HG2 ILE 84 18.730 -15.724 -1.149 588 HG23 ILE 84 3HG2 ILE 84 17.011 -15.397 -1.363 589 HD11 ILE 84 1HD1 ILE 84 21.275 -15.363 -1.956 590 HD12 ILE 84 2HD1 ILE 84 20.054 -16.015 -3.050 591 HD13 ILE 84 3HD1 ILE 84 21.312 -14.946 -3.669 592 H GLY 85 H GLY 85 16.040 -12.784 -3.490 593 HA2 GLY 85 1HA GLY 85 13.824 -13.629 -4.849 594 HA3 GLY 85 2HA GLY 85 13.866 -14.660 -3.426 595 H ARG 86 H ARG 86 11.773 -13.624 -2.989 596 HA ARG 86 HA ARG 86 12.001 -10.886 -1.960 597 HB2 ARG 86 1HB ARG 86 9.464 -11.085 -1.808 598 HB3 ARG 86 2HB ARG 86 10.159 -11.057 -3.423 599 HG2 ARG 86 1HG ARG 86 9.674 -13.267 -3.821 600 HG3 ARG 86 2HG ARG 86 9.639 -13.678 -2.105 601 HD2 ARG 86 1HD ARG 86 7.593 -12.010 -2.109 602 HD3 ARG 86 2HD ARG 86 7.536 -12.449 -3.816 603 HE ARG 86 HE ARG 86 6.865 -14.120 -1.565 604 HH11 ARG 86 2HH1 ARG 86 7.801 -14.032 -4.918 605 HH12 ARG 86 1HH1 ARG 86 7.145 -15.595 -5.277 606 HH21 ARG 86 2HH2 ARG 86 5.997 -16.179 -2.026 607 HH22 ARG 86 1HH2 ARG 86 6.119 -16.815 -3.631 608 H GLY 87 H GLY 87 12.315 -10.609 0.142 609 HA2 GLY 87 1HA GLY 87 12.159 -12.774 1.998 610 HA3 GLY 87 2HA GLY 87 12.505 -11.095 2.387 611 HA PRO 88 HA PRO 88 8.311 -12.253 4.068 612 HB2 PRO 88 1HB PRO 88 8.809 -11.414 6.601 613 HB3 PRO 88 2HB PRO 88 9.184 -13.047 6.039 614 HG2 PRO 88 1HG PRO 88 10.997 -10.683 6.340 615 HG3 PRO 88 2HG PRO 88 11.286 -12.378 6.775 616 HD2 PRO 88 1HD PRO 88 12.265 -11.269 4.507 617 HD3 PRO 88 2HD PRO 88 11.797 -12.978 4.609 618 HA PRO 89 HA PRO 89 6.812 -8.129 3.657 619 HB2 PRO 89 1HB PRO 89 4.437 -8.375 4.949 620 HB3 PRO 89 2HB PRO 89 4.737 -9.065 3.349 621 HG2 PRO 89 1HG PRO 89 4.796 -10.398 6.029 622 HG3 PRO 89 2HG PRO 89 4.102 -10.980 4.505 623 HD2 PRO 89 1HD PRO 89 6.509 -11.815 5.422 624 HD3 PRO 89 2HD PRO 89 6.145 -11.668 3.691 625 H SER 90 H SER 90 6.527 -6.204 4.803 626 HA SER 90 HA SER 90 7.692 -6.194 7.449 627 HB2 SER 90 1HB SER 90 8.453 -4.471 5.972 628 HB3 SER 90 2HB SER 90 6.802 -3.986 5.586 629 HG SER 90 HG SER 90 7.202 -2.575 7.115 630 H GLU 91 H GLU 91 6.678 -4.657 9.103 631 HA GLU 91 HA GLU 91 4.388 -5.677 10.145 632 HB2 GLU 91 1HB GLU 91 5.669 -2.986 10.375 633 HB3 GLU 91 2HB GLU 91 4.096 -3.242 11.118 634 HG2 GLU 91 1HG GLU 91 4.987 -5.059 12.448 635 HG3 GLU 91 2HG GLU 91 6.556 -4.889 11.663 636 H ALA 92 H ALA 92 2.677 -6.073 8.826 637 HA ALA 92 HA ALA 92 1.652 -4.536 6.792 638 HB1 ALA 92 1HB ALA 92 -0.618 -5.638 7.810 639 HB2 ALA 92 2HB ALA 92 0.529 -6.476 6.764 640 HB3 ALA 92 3HB ALA 92 0.626 -6.672 8.513 641 H VAL 93 H VAL 93 0.760 -2.588 6.689 642 HA VAL 93 HA VAL 93 -0.354 -1.421 9.154 643 HB VAL 93 HB VAL 93 0.115 0.774 8.220 644 HG11 VAL 93 1HG1 VAL 93 1.875 -0.626 9.448 645 HG12 VAL 93 2HG1 VAL 93 2.628 -0.828 7.865 646 HG13 VAL 93 3HG1 VAL 93 2.430 0.786 8.549 647 HG21 VAL 93 1HG2 VAL 93 1.120 -0.775 5.839 648 HG22 VAL 93 2HG2 VAL 93 -0.192 0.403 5.883 649 HG23 VAL 93 3HG2 VAL 93 1.474 0.930 6.118 650 H ARG 94 H ARG 94 -2.267 -0.175 9.024 651 HA ARG 94 HA ARG 94 -3.905 -0.727 6.636 652 HB2 ARG 94 1HB ARG 94 -4.567 -0.876 9.553 653 HB3 ARG 94 2HB ARG 94 -5.834 -0.485 8.397 654 HG2 ARG 94 1HG ARG 94 -5.027 -2.606 7.157 655 HG3 ARG 94 2HG ARG 94 -4.269 -3.011 8.699 656 HD2 ARG 94 1HD ARG 94 -7.157 -2.224 8.546 657 HD3 ARG 94 2HD ARG 94 -6.647 -3.881 8.226 658 HE ARG 94 HE ARG 94 -6.811 -2.593 10.773 659 HH11 ARG 94 2HH1 ARG 94 -5.136 -5.042 8.952 660 HH12 ARG 94 1HH1 ARG 94 -4.691 -5.962 10.350 661 HH21 ARG 94 2HH2 ARG 94 -6.232 -3.796 12.622 662 HH22 ARG 94 1HH2 ARG 94 -5.316 -5.253 12.438 663 H ALA 95 H ALA 95 -4.402 1.047 5.547 664 HA ALA 95 HA ALA 95 -4.774 3.562 7.040 665 HB1 ALA 95 1HB ALA 95 -2.702 3.735 5.852 666 HB2 ALA 95 2HB ALA 95 -3.454 3.172 4.359 667 HB3 ALA 95 3HB ALA 95 -3.895 4.742 5.031 668 H ARG 96 H ARG 96 -6.683 4.520 6.765 669 HA ARG 96 HA ARG 96 -8.546 3.406 4.829 670 HB2 ARG 96 1HB ARG 96 -8.969 4.063 7.359 671 HB3 ARG 96 2HB ARG 96 -9.280 5.646 6.659 672 HG2 ARG 96 1HG ARG 96 -11.097 4.847 5.396 673 HG3 ARG 96 2HG ARG 96 -10.649 3.163 5.677 674 HD2 ARG 96 1HD ARG 96 -11.418 5.026 7.908 675 HD3 ARG 96 2HD ARG 96 -12.608 4.076 7.019 676 HE ARG 96 HE ARG 96 -10.799 2.224 7.801 677 HH11 ARG 96 2HH1 ARG 96 -12.578 4.695 9.489 678 HH12 ARG 96 1HH1 ARG 96 -12.643 3.813 10.979 679 HH21 ARG 96 2HH2 ARG 96 -10.876 1.054 9.757 680 HH22 ARG 96 1HH2 ARG 96 -11.673 1.743 11.131 681 H THR 97 H THR 97 -8.673 4.242 2.863 682 HA THR 97 HA THR 97 -7.481 6.648 2.056 683 HB THR 97 HB THR 97 -8.635 6.363 -0.065 684 HG1 THR 97 1HG THR 97 -10.689 5.749 0.693 685 HG21 THR 97 1HG2 THR 97 -7.044 4.836 -0.418 686 HG22 THR 97 2HG2 THR 97 -8.226 3.605 0.029 687 HG23 THR 97 3HG2 THR 97 -7.138 4.267 1.248 688 H GLY 98 H GLY 98 -8.361 8.653 1.460 689 HA2 GLY 98 1HA GLY 98 -10.306 9.705 3.192 690 HA3 GLY 98 2HA GLY 98 -9.692 10.499 1.749 691 H GLU 99 H GLU 99 -12.326 10.785 2.564 692 HA GLU 99 HA GLU 99 -13.835 9.101 0.686 693 HB2 GLU 99 1HB GLU 99 -15.837 9.802 1.910 694 HB3 GLU 99 2HB GLU 99 -14.659 9.067 2.988 695 HG2 GLU 99 1HG GLU 99 -15.253 10.860 4.242 696 HG3 GLU 99 2HG GLU 99 -13.921 11.571 3.334 697 H GLN 100 H GLN 100 -12.161 11.404 -0.058 698 HA GLN 100 HA GLN 100 -13.512 13.746 -0.550 699 HB2 GLN 100 1HB GLN 100 -11.127 13.386 -1.055 700 HB3 GLN 100 2HB GLN 100 -11.575 12.364 -2.415 701 HG2 GLN 100 1HG GLN 100 -10.923 14.674 -3.040 702 HG3 GLN 100 2HG GLN 100 -12.533 14.203 -3.582 703 HE21 GLN 100 1HE2 GLN 100 -10.972 15.706 -0.770 704 HE22 GLN 100 2HE2 GLN 100 -12.171 16.929 -0.543 705 H SER 101 H SER 101 -15.194 14.337 -1.755 706 HA SER 101 HA SER 101 -17.044 14.145 -3.078 707 HB2 SER 101 1HB SER 101 -14.999 12.882 -4.920 708 HB3 SER 101 2HB SER 101 -16.582 13.478 -5.418 709 HG SER 101 HG SER 101 -15.388 15.414 -4.066 710 H GLY 102 H GLY 102 -17.128 12.227 -1.198 711 HA2 GLY 102 1HA GLY 102 -17.163 9.569 -1.807 712 HA3 GLY 102 2HA GLY 102 -18.340 10.321 -0.740 713 HA PRO 103 HA PRO 103 -20.129 8.859 -4.969 714 HB2 PRO 103 1HB PRO 103 -20.764 6.278 -4.416 715 HB3 PRO 103 2HB PRO 103 -19.225 6.754 -5.144 716 HG2 PRO 103 1HG PRO 103 -19.850 6.107 -2.289 717 HG3 PRO 103 2HG PRO 103 -18.452 5.621 -3.266 718 HD2 PRO 103 1HD PRO 103 -18.347 7.654 -1.481 719 HD3 PRO 103 2HD PRO 103 -17.387 7.644 -2.975 720 H SER 104 H SER 104 -21.801 10.263 -4.307 721 HA SER 104 HA SER 104 -23.786 10.898 -3.347 722 HB2 SER 104 1HB SER 104 -24.329 8.081 -4.295 723 HB3 SER 104 2HB SER 104 -25.599 9.157 -3.714 724 HG SER 104 HG SER 104 -24.597 9.040 -6.136 725 H SER 105 H SER 105 -22.037 10.252 -1.351 726 HA SER 105 HA SER 105 -23.761 8.858 0.590 727 HB2 SER 105 1HB SER 105 -21.617 8.267 1.793 728 HB3 SER 105 2HB SER 105 -21.847 7.461 0.241 729 HG SER 105 HG SER 105 -19.726 8.339 0.516 730 H GLY 106 H GLY 106 -24.714 10.906 1.096 731 HA2 GLY 106 1HA GLY 106 -24.953 12.640 2.600 732 HA3 GLY 106 2HA GLY 106 -23.364 12.244 3.238
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