NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14183 | 1wgu | 10235 | 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 -24.288 -14.059 -8.624 2 HA2 GLY 1 1HA GLY 1 -22.197 -15.093 -8.440 3 HA3 GLY 1 2HA GLY 1 -22.753 -14.933 -6.786 4 H SER 2 H SER 2 -23.271 -17.199 -9.592 5 HA SER 2 HA SER 2 -24.020 -19.368 -8.194 6 HB2 SER 2 1HB SER 2 -23.742 -19.018 -10.749 7 HB3 SER 2 2HB SER 2 -22.085 -19.548 -10.534 8 HG SER 2 HG SER 2 -22.808 -21.580 -9.796 9 H SER 3 H SER 3 -20.602 -18.579 -9.186 10 HA SER 3 HA SER 3 -19.413 -20.659 -7.888 11 HB2 SER 3 1HB SER 3 -18.608 -18.137 -9.104 12 HB3 SER 3 2HB SER 3 -17.640 -18.441 -7.675 13 HG SER 3 HG SER 3 -17.586 -20.775 -8.764 14 H GLY 4 H GLY 4 -18.582 -21.000 -5.775 15 HA2 GLY 4 1HA GLY 4 -19.950 -19.765 -3.650 16 HA3 GLY 4 2HA GLY 4 -18.565 -20.832 -3.534 17 H SER 5 H SER 5 -17.528 -19.617 -1.872 18 HA SER 5 HA SER 5 -16.583 -17.015 -2.795 19 HB2 SER 5 1HB SER 5 -18.129 -16.919 -0.816 20 HB3 SER 5 2HB SER 5 -17.017 -17.932 0.082 21 HG SER 5 HG SER 5 -15.989 -16.141 0.613 22 H SER 6 H SER 6 -14.345 -16.438 -2.110 23 HA SER 6 HA SER 6 -12.584 -18.489 -2.578 24 HB2 SER 6 1HB SER 6 -12.384 -15.798 -2.528 25 HB3 SER 6 2HB SER 6 -11.672 -16.123 -0.960 26 HG SER 6 HG SER 6 -10.503 -16.326 -3.380 27 H GLY 7 H GLY 7 -10.684 -19.062 -0.968 28 HA2 GLY 7 1HA GLY 7 -11.888 -19.651 1.670 29 HA3 GLY 7 2HA GLY 7 -10.827 -20.738 0.798 30 HA PRO 8 HA PRO 8 -8.404 -17.167 2.823 31 HB2 PRO 8 1HB PRO 8 -9.315 -16.492 5.310 32 HB3 PRO 8 2HB PRO 8 -9.681 -15.563 3.871 33 HG2 PRO 8 1HG PRO 8 -11.431 -17.403 5.384 34 HG3 PRO 8 2HG PRO 8 -11.879 -16.164 4.229 35 HD2 PRO 8 1HD PRO 8 -11.807 -18.994 3.769 36 HD3 PRO 8 2HD PRO 8 -12.142 -17.748 2.583 37 H THR 9 H THR 9 -7.012 -17.053 4.982 38 HA THR 9 HA THR 9 -6.847 -19.800 5.995 39 HB THR 9 HB THR 9 -4.705 -18.162 4.575 40 HG1 THR 9 1HG THR 9 -4.622 -20.253 3.480 41 HG21 THR 9 1HG2 THR 9 -2.979 -19.426 5.522 42 HG22 THR 9 2HG2 THR 9 -4.052 -19.317 6.939 43 HG23 THR 9 3HG2 THR 9 -4.061 -20.781 5.925 44 HA PRO 10 HA PRO 10 -6.389 -17.775 9.753 45 HB2 PRO 10 1HB PRO 10 -5.408 -19.807 11.295 46 HB3 PRO 10 2HB PRO 10 -7.108 -19.631 10.910 47 HG2 PRO 10 1HG PRO 10 -5.146 -21.547 9.807 48 HG3 PRO 10 2HG PRO 10 -6.897 -21.622 9.765 49 HD2 PRO 10 1HD PRO 10 -5.159 -20.887 7.605 50 HD3 PRO 10 2HD PRO 10 -6.911 -20.851 7.600 51 H LYS 11 H LYS 11 -4.676 -16.546 8.374 52 HA LYS 11 HA LYS 11 -2.559 -16.085 10.117 53 HB2 LYS 11 1HB LYS 11 -2.118 -18.317 8.321 54 HB3 LYS 11 2HB LYS 11 -0.980 -17.028 7.984 55 HG2 LYS 11 1HG LYS 11 0.100 -17.271 9.996 56 HG3 LYS 11 2HG LYS 11 -1.391 -17.516 10.884 57 HD2 LYS 11 1HD LYS 11 -1.296 -19.835 9.387 58 HD3 LYS 11 2HD LYS 11 0.413 -19.525 9.619 59 HE2 LYS 11 1HE LYS 11 -0.072 -20.764 11.546 60 HE3 LYS 11 2HE LYS 11 -0.262 -19.131 12.151 61 HZ1 LYS 11 1HZ LYS 11 -2.437 -20.857 11.189 62 HZ2 LYS 11 2HZ LYS 11 -2.128 -20.477 12.747 63 HZ3 LYS 11 3HZ LYS 11 -2.628 -19.321 11.708 64 H THR 12 H THR 12 -2.008 -13.996 9.762 65 HA THR 12 HA THR 12 -2.299 -12.991 7.012 66 HB THR 12 HB THR 12 -3.253 -10.894 8.100 67 HG1 THR 12 1HG THR 12 -3.476 -12.781 10.331 68 HG21 THR 12 1HG2 THR 12 -4.625 -13.588 8.313 69 HG22 THR 12 2HG2 THR 12 -5.402 -12.169 9.056 70 HG23 THR 12 3HG2 THR 12 -5.063 -12.186 7.308 71 H GLU 13 H GLU 13 -1.275 -10.616 6.988 72 HA GLU 13 HA GLU 13 1.372 -11.049 8.109 73 HB2 GLU 13 1HB GLU 13 0.344 -9.549 5.688 74 HB3 GLU 13 2HB GLU 13 1.906 -9.137 6.367 75 HG2 GLU 13 1HG GLU 13 1.890 -11.973 6.249 76 HG3 GLU 13 2HG GLU 13 1.150 -11.457 4.746 77 H LEU 14 H LEU 14 2.588 -8.897 8.660 78 HA LEU 14 HA LEU 14 0.857 -7.453 10.468 79 HB2 LEU 14 1HB LEU 14 3.806 -7.761 10.081 80 HB3 LEU 14 2HB LEU 14 3.201 -6.369 10.958 81 HG LEU 14 HG LEU 14 3.884 -8.281 12.399 82 HD11 LEU 14 1HD1 LEU 14 1.344 -8.345 13.453 83 HD12 LEU 14 2HD1 LEU 14 2.566 -7.085 13.747 84 HD13 LEU 14 3HD1 LEU 14 1.330 -6.849 12.488 85 HD21 LEU 14 1HD2 LEU 14 1.416 -9.692 11.364 86 HD22 LEU 14 2HD2 LEU 14 3.070 -10.055 10.815 87 HD23 LEU 14 3HD2 LEU 14 2.624 -10.298 12.521 88 H VAL 15 H VAL 15 0.028 -5.450 10.123 89 HA VAL 15 HA VAL 15 1.145 -3.958 7.851 90 HB VAL 15 HB VAL 15 -1.741 -4.339 8.664 91 HG11 VAL 15 1HG1 VAL 15 -2.413 -2.631 7.299 92 HG12 VAL 15 2HG1 VAL 15 -0.838 -1.976 7.807 93 HG13 VAL 15 3HG1 VAL 15 -1.000 -2.779 6.227 94 HG21 VAL 15 1HG2 VAL 15 -1.832 -5.932 7.106 95 HG22 VAL 15 2HG2 VAL 15 -1.152 -4.831 5.883 96 HG23 VAL 15 3HG2 VAL 15 -0.067 -5.797 6.912 97 H GLN 16 H GLN 16 1.400 -1.723 8.142 98 HA GLN 16 HA GLN 16 0.815 -0.840 10.862 99 HB2 GLN 16 1HB GLN 16 3.209 -0.290 9.075 100 HB3 GLN 16 2HB GLN 16 2.820 0.765 10.419 101 HG2 GLN 16 1HG GLN 16 3.316 -0.855 12.030 102 HG3 GLN 16 2HG GLN 16 2.896 -2.192 10.977 103 HE21 GLN 16 1HE2 GLN 16 5.283 0.304 11.654 104 HE22 GLN 16 2HE2 GLN 16 6.652 -0.475 10.934 105 H LYS 17 H LYS 17 -0.902 0.546 10.809 106 HA LYS 17 HA LYS 17 -1.139 2.279 8.457 107 HB2 LYS 17 1HB LYS 17 -3.066 0.845 10.173 108 HB3 LYS 17 2HB LYS 17 -3.516 2.498 9.807 109 HG2 LYS 17 1HG LYS 17 -4.414 1.362 7.964 110 HG3 LYS 17 2HG LYS 17 -2.866 1.878 7.325 111 HD2 LYS 17 1HD LYS 17 -2.731 -0.355 6.742 112 HD3 LYS 17 2HD LYS 17 -2.061 -0.480 8.356 113 HE2 LYS 17 1HE LYS 17 -3.723 -1.935 8.872 114 HE3 LYS 17 2HE LYS 17 -4.864 -0.612 8.743 115 HZ1 LYS 17 1HZ LYS 17 -4.484 -1.244 6.192 116 HZ2 LYS 17 2HZ LYS 17 -4.317 -2.715 6.883 117 HZ3 LYS 17 3HZ LYS 17 -5.687 -1.856 7.112 118 H PHE 18 H PHE 18 -0.918 4.466 8.646 119 HA PHE 18 HA PHE 18 -0.843 5.529 11.376 120 HB2 PHE 18 1HB PHE 18 1.026 5.959 8.974 121 HB3 PHE 18 2HB PHE 18 1.046 7.022 10.367 122 HD1 PHE 18 1HD PHE 18 1.443 5.874 12.675 123 HD2 PHE 18 2HD PHE 18 2.395 4.084 8.947 124 HE1 PHE 18 1HE PHE 18 3.060 4.336 13.826 125 HE2 PHE 18 2HE PHE 18 4.011 2.547 10.098 126 HZ PHE 18 HZ PHE 18 4.324 2.691 12.523 127 H ARG 19 H ARG 19 -2.437 7.023 11.584 128 HA ARG 19 HA ARG 19 -3.763 8.035 9.368 129 HB2 ARG 19 1HB ARG 19 -4.417 7.829 11.961 130 HB3 ARG 19 2HB ARG 19 -3.811 9.472 12.035 131 HG2 ARG 19 1HG ARG 19 -5.449 9.414 9.720 132 HG3 ARG 19 2HG ARG 19 -6.330 8.480 10.913 133 HD2 ARG 19 1HD ARG 19 -5.505 10.613 12.457 134 HD3 ARG 19 2HD ARG 19 -5.670 11.393 10.897 135 HE ARG 19 HE ARG 19 -7.995 9.858 11.165 136 HH11 ARG 19 2HH2 ARG 19 -6.448 12.429 13.004 137 HH12 ARG 19 1HH2 ARG 19 -7.937 13.047 13.636 138 HH21 ARG 19 2HH1 ARG 19 -9.960 10.674 11.999 139 HH22 ARG 19 1HH1 ARG 19 -9.948 12.042 13.061 140 H VAL 20 H VAL 20 -2.588 9.292 7.902 141 HA VAL 20 HA VAL 20 -1.304 11.677 9.036 142 HB VAL 20 HB VAL 20 0.451 11.500 7.422 143 HG11 VAL 20 1HG1 VAL 20 -0.091 9.321 9.324 144 HG12 VAL 20 2HG1 VAL 20 1.081 8.896 8.054 145 HG13 VAL 20 3HG1 VAL 20 1.371 10.311 9.095 146 HG21 VAL 20 1HG2 VAL 20 -1.146 9.177 6.330 147 HG22 VAL 20 2HG2 VAL 20 -0.560 10.627 5.481 148 HG23 VAL 20 3HG2 VAL 20 0.591 9.369 5.993 149 H GLN 21 H GLN 21 -1.251 13.540 7.510 150 HA GLN 21 HA GLN 21 -3.741 13.581 6.074 151 HB2 GLN 21 1HB GLN 21 -1.766 15.671 7.011 152 HB3 GLN 21 2HB GLN 21 -2.936 16.089 5.775 153 HG2 GLN 21 1HG GLN 21 -4.798 15.648 7.217 154 HG3 GLN 21 2HG GLN 21 -3.821 14.731 8.347 155 HE21 GLN 21 1HE2 GLN 21 -5.194 17.691 7.628 156 HE22 GLN 21 2HE2 GLN 21 -4.365 18.706 8.761 157 H TYR 22 H TYR 22 -3.902 14.380 3.827 158 HA TYR 22 HA TYR 22 -1.519 13.608 2.298 159 HB2 TYR 22 1HB TYR 22 -4.018 12.609 2.184 160 HB3 TYR 22 2HB TYR 22 -4.376 14.080 1.301 161 HD1 TYR 22 2HD TYR 22 -1.211 13.749 0.269 162 HD2 TYR 22 1HD TYR 22 -4.878 11.563 -0.012 163 HE1 TYR 22 2HE TYR 22 -0.403 12.655 -1.879 164 HE2 TYR 22 1HE TYR 22 -4.057 10.476 -2.159 165 HH TYR 22 HH TYR 22 -2.022 11.504 -4.032 166 H LEU 23 H LEU 23 -0.286 15.416 1.926 167 HA LEU 23 HA LEU 23 -1.437 17.983 1.654 168 HB2 LEU 23 1HB LEU 23 1.267 16.766 1.434 169 HB3 LEU 23 2HB LEU 23 1.018 18.317 0.658 170 HG LEU 23 HG LEU 23 -0.081 18.755 3.142 171 HD11 LEU 23 1HD1 LEU 23 1.338 16.377 3.459 172 HD12 LEU 23 2HD1 LEU 23 2.420 17.635 4.104 173 HD13 LEU 23 3HD1 LEU 23 0.767 17.468 4.744 174 HD21 LEU 23 1HD2 LEU 23 2.358 19.739 3.558 175 HD22 LEU 23 2HD2 LEU 23 2.516 19.381 1.822 176 HD23 LEU 23 3HD2 LEU 23 1.223 20.462 2.393 177 H GLY 24 H GLY 24 -0.146 15.534 -0.671 178 HA2 GLY 24 1HA GLY 24 -1.867 15.705 -2.670 179 HA3 GLY 24 2HA GLY 24 -0.986 17.199 -2.916 180 H MET 25 H MET 25 -0.598 15.832 -5.037 181 HA MET 25 HA MET 25 1.806 14.238 -4.583 182 HB2 MET 25 1HB MET 25 -0.415 13.215 -5.626 183 HB3 MET 25 2HB MET 25 0.047 14.091 -7.072 184 HG2 MET 25 1HG MET 25 2.369 12.931 -6.832 185 HG3 MET 25 2HG MET 25 1.597 11.878 -5.664 186 HE1 MET 25 1HE MET 25 0.743 12.221 -10.141 187 HE2 MET 25 2HE MET 25 -0.118 13.377 -9.097 188 HE3 MET 25 3HE MET 25 1.662 13.337 -9.104 189 H LEU 26 H LEU 26 3.603 15.418 -5.087 190 HA LEU 26 HA LEU 26 3.377 17.243 -7.377 191 HB2 LEU 26 1HB LEU 26 3.773 18.217 -5.085 192 HB3 LEU 26 2HB LEU 26 5.329 17.413 -5.084 193 HG LEU 26 HG LEU 26 4.814 19.077 -7.470 194 HD11 LEU 26 1HD1 LEU 26 4.942 21.195 -6.475 195 HD12 LEU 26 2HD1 LEU 26 3.718 20.322 -5.521 196 HD13 LEU 26 3HD1 LEU 26 5.367 20.524 -4.882 197 HD21 LEU 26 1HD2 LEU 26 7.093 19.546 -7.340 198 HD22 LEU 26 2HD2 LEU 26 7.162 19.227 -5.590 199 HD23 LEU 26 3HD2 LEU 26 6.973 17.876 -6.734 200 HA PRO 27 HA PRO 27 6.182 14.505 -9.250 201 HB2 PRO 27 1HB PRO 27 6.488 15.836 -11.617 202 HB3 PRO 27 2HB PRO 27 5.157 14.741 -11.298 203 HG2 PRO 27 1HG PRO 27 5.148 17.696 -11.376 204 HG3 PRO 27 2HG PRO 27 3.793 16.591 -11.484 205 HD2 PRO 27 1HD PRO 27 4.568 18.138 -9.196 206 HD3 PRO 27 2HD PRO 27 3.284 16.947 -9.270 207 H VAL 28 H VAL 28 8.395 14.251 -9.900 208 HA VAL 28 HA VAL 28 9.972 16.660 -9.503 209 HB VAL 28 HB VAL 28 11.395 15.645 -7.857 210 HG11 VAL 28 1HG1 VAL 28 9.955 15.719 -5.950 211 HG12 VAL 28 2HG1 VAL 28 9.290 16.851 -7.152 212 HG13 VAL 28 3HG1 VAL 28 8.537 15.255 -6.921 213 HG21 VAL 28 1HG2 VAL 28 11.349 13.330 -8.452 214 HG22 VAL 28 2HG2 VAL 28 10.727 13.455 -6.789 215 HG23 VAL 28 3HG2 VAL 28 9.599 13.219 -8.146 216 H ASP 29 H ASP 29 12.102 16.501 -10.453 217 HA ASP 29 HA ASP 29 12.081 14.680 -12.643 218 HB2 ASP 29 1HB ASP 29 13.165 17.227 -12.113 219 HB3 ASP 29 2HB ASP 29 14.575 16.191 -12.197 220 H ARG 30 H ARG 30 14.189 15.460 -9.780 221 HA ARG 30 HA ARG 30 15.860 13.228 -10.308 222 HB2 ARG 30 1HB ARG 30 15.897 15.588 -8.610 223 HB3 ARG 30 2HB ARG 30 16.230 14.182 -7.618 224 HG2 ARG 30 1HG ARG 30 17.671 14.741 -10.251 225 HG3 ARG 30 2HG ARG 30 18.278 15.276 -8.696 226 HD2 ARG 30 1HD ARG 30 19.163 13.225 -8.291 227 HD3 ARG 30 2HD ARG 30 17.589 12.475 -8.470 228 HE ARG 30 HE ARG 30 18.301 12.901 -11.085 229 HH11 ARG 30 2HH2 ARG 30 20.011 11.442 -8.377 230 HH12 ARG 30 1HH2 ARG 30 20.940 10.373 -9.375 231 HH21 ARG 30 2HH1 ARG 30 19.526 11.491 -12.401 232 HH22 ARG 30 1HH1 ARG 30 20.662 10.401 -11.679 233 HA PRO 31 HA PRO 31 13.191 10.564 -8.010 234 HB2 PRO 31 1HB PRO 31 14.428 8.211 -8.641 235 HB3 PRO 31 2HB PRO 31 13.204 8.951 -9.653 236 HG2 PRO 31 1HG PRO 31 16.130 8.850 -10.059 237 HG3 PRO 31 2HG PRO 31 14.871 9.194 -11.228 238 HD2 PRO 31 1HD PRO 31 16.610 11.096 -9.969 239 HD3 PRO 31 2HD PRO 31 15.276 11.450 -11.049 240 H VAL 32 H VAL 32 16.310 11.446 -7.422 241 HA VAL 32 HA VAL 32 16.088 10.296 -4.757 242 HB VAL 32 HB VAL 32 18.411 9.537 -4.816 243 HG11 VAL 32 1HG1 VAL 32 16.797 7.836 -5.186 244 HG12 VAL 32 2HG1 VAL 32 16.524 8.353 -6.868 245 HG13 VAL 32 3HG1 VAL 32 18.064 7.585 -6.411 246 HG21 VAL 32 1HG2 VAL 32 19.294 11.019 -6.543 247 HG22 VAL 32 2HG2 VAL 32 19.607 9.319 -6.968 248 HG23 VAL 32 3HG2 VAL 32 18.296 10.212 -7.775 249 H GLY 33 H GLY 33 17.022 11.602 -3.145 250 HA2 GLY 33 1HA GLY 33 18.805 13.394 -2.899 251 HA3 GLY 33 2HA GLY 33 17.882 14.255 -4.115 252 H MET 34 H MET 34 18.357 15.275 -1.477 253 HA MET 34 HA MET 34 15.781 14.894 -0.187 254 HB2 MET 34 1HB MET 34 18.447 16.111 0.709 255 HB3 MET 34 2HB MET 34 16.999 16.225 1.689 256 HG2 MET 34 1HG MET 34 17.224 13.477 0.913 257 HG3 MET 34 2HG MET 34 18.829 13.980 1.404 258 HE1 MET 34 1HE MET 34 15.197 14.780 2.226 259 HE2 MET 34 2HE MET 34 15.193 13.075 2.738 260 HE3 MET 34 3HE MET 34 15.020 14.368 3.949 261 H ASP 35 H ASP 35 18.050 17.463 -1.361 262 HA ASP 35 HA ASP 35 16.784 19.680 -0.691 263 HB2 ASP 35 1HB ASP 35 18.174 18.837 -3.234 264 HB3 ASP 35 2HB ASP 35 17.387 20.403 -3.216 265 H THR 36 H THR 36 16.143 17.855 -3.792 266 HA THR 36 HA THR 36 13.912 19.326 -4.563 267 HB THR 36 HB THR 36 14.961 16.519 -5.126 268 HG1 THR 36 1HG THR 36 14.685 19.136 -6.418 269 HG21 THR 36 1HG2 THR 36 13.380 16.858 -7.225 270 HG22 THR 36 2HG2 THR 36 12.687 16.179 -5.732 271 HG23 THR 36 3HG2 THR 36 12.442 17.897 -6.125 272 H LEU 37 H LEU 37 14.180 16.424 -2.455 273 HA LEU 37 HA LEU 37 11.493 15.857 -2.261 274 HB2 LEU 37 1HB LEU 37 13.354 14.465 -1.446 275 HB3 LEU 37 2HB LEU 37 13.632 15.601 -0.142 276 HG LEU 37 HG LEU 37 10.970 15.013 0.202 277 HD11 LEU 37 1HD1 LEU 37 10.391 13.116 -0.786 278 HD12 LEU 37 2HD1 LEU 37 12.019 12.957 -1.488 279 HD13 LEU 37 3HD1 LEU 37 11.669 12.265 0.114 280 HD21 LEU 37 1HD2 LEU 37 13.323 13.560 1.442 281 HD22 LEU 37 2HD2 LEU 37 12.709 15.156 1.935 282 HD23 LEU 37 3HD2 LEU 37 11.687 13.712 2.126 283 H ASN 38 H ASN 38 13.465 17.884 0.029 284 HA ASN 38 HA ASN 38 11.374 18.733 1.536 285 HB2 ASN 38 1HB ASN 38 13.990 20.097 0.750 286 HB3 ASN 38 2HB ASN 38 12.888 20.841 1.892 287 HD21 ASN 38 1HD2 ASN 38 15.031 18.170 1.249 288 HD22 ASN 38 2HD2 ASN 38 15.185 17.574 2.868 289 H SER 39 H SER 39 12.907 20.293 -1.377 290 HA SER 39 HA SER 39 11.463 22.551 -1.515 291 HB2 SER 39 1HB SER 39 13.308 21.966 -3.054 292 HB3 SER 39 2HB SER 39 12.311 20.748 -3.825 293 HG SER 39 HG SER 39 10.851 22.446 -4.516 294 H ALA 40 H ALA 40 10.539 19.270 -2.736 295 HA ALA 40 HA ALA 40 8.156 20.007 -3.956 296 HB1 ALA 40 1HB ALA 40 9.365 17.501 -2.833 297 HB2 ALA 40 2HB ALA 40 7.632 17.487 -3.240 298 HB3 ALA 40 3HB ALA 40 8.837 17.867 -4.493 299 H ILE 41 H ILE 41 8.731 18.679 -0.618 300 HA ILE 41 HA ILE 41 6.131 18.836 0.252 301 HB ILE 41 HB ILE 41 8.720 19.175 1.768 302 HG12 ILE 41 1HG1 ILE 41 6.991 16.711 1.424 303 HG13 ILE 41 2HG1 ILE 41 8.393 17.061 0.433 304 HG21 ILE 41 1HG2 ILE 41 7.434 18.524 3.764 305 HG22 ILE 41 2HG2 ILE 41 6.893 20.079 3.087 306 HG23 ILE 41 3HG2 ILE 41 5.932 18.606 2.812 307 HD11 ILE 41 1HD1 ILE 41 8.311 16.561 3.433 308 HD12 ILE 41 2HD1 ILE 41 9.192 15.642 2.189 309 HD13 ILE 41 3HD1 ILE 41 9.729 17.280 2.632 310 H GLU 42 H GLU 42 8.719 21.265 1.050 311 HA GLU 42 HA GLU 42 7.223 23.144 2.149 312 HB2 GLU 42 1HB GLU 42 9.665 23.199 0.433 313 HB3 GLU 42 2HB GLU 42 8.863 24.742 0.644 314 HG2 GLU 42 1HG GLU 42 8.835 24.171 3.194 315 HG3 GLU 42 2HG GLU 42 9.990 22.914 2.799 316 H ASN 43 H ASN 43 7.467 22.468 -1.377 317 HA ASN 43 HA ASN 43 6.112 24.694 -2.250 318 HB2 ASN 43 1HB ASN 43 7.348 22.719 -3.539 319 HB3 ASN 43 2HB ASN 43 5.762 21.976 -3.569 320 HD21 ASN 43 1HD2 ASN 43 7.718 23.447 -5.497 321 HD22 ASN 43 2HD2 ASN 43 6.686 24.469 -6.441 322 H LEU 44 H LEU 44 4.926 21.291 -1.659 323 HA LEU 44 HA LEU 44 2.228 21.880 -2.088 324 HB2 LEU 44 1HB LEU 44 3.818 19.651 -0.948 325 HB3 LEU 44 2HB LEU 44 2.126 19.716 -0.499 326 HG LEU 44 HG LEU 44 3.160 19.675 -3.348 327 HD11 LEU 44 1HD1 LEU 44 3.099 17.568 -1.525 328 HD12 LEU 44 2HD1 LEU 44 1.630 17.354 -2.506 329 HD13 LEU 44 3HD1 LEU 44 3.222 17.453 -3.297 330 HD21 LEU 44 1HD2 LEU 44 0.769 19.150 -3.890 331 HD22 LEU 44 2HD2 LEU 44 0.357 19.575 -2.212 332 HD23 LEU 44 3HD2 LEU 44 1.058 20.802 -3.294 333 H MET 45 H MET 45 4.228 21.728 0.924 334 HA MET 45 HA MET 45 2.425 21.999 2.822 335 HB2 MET 45 1HB MET 45 5.151 23.154 2.330 336 HB3 MET 45 2HB MET 45 4.255 23.928 3.622 337 HG2 MET 45 1HG MET 45 3.791 21.498 4.492 338 HG3 MET 45 2HG MET 45 5.075 21.006 3.405 339 HE1 MET 45 1HE MET 45 5.254 20.833 6.879 340 HE2 MET 45 2HE MET 45 5.469 22.480 7.519 341 HE3 MET 45 3HE MET 45 4.008 22.071 6.589 342 H THR 46 H THR 46 3.767 24.875 1.033 343 HA THR 46 HA THR 46 2.064 26.746 2.194 344 HB THR 46 HB THR 46 2.707 28.020 0.014 345 HG1 THR 46 1HG THR 46 4.507 26.648 -1.031 346 HG21 THR 46 1HG2 THR 46 4.164 28.153 2.054 347 HG22 THR 46 2HG2 THR 46 4.951 26.631 1.573 348 HG23 THR 46 3HG2 THR 46 5.137 28.086 0.565 349 H SER 47 H SER 47 1.582 24.543 -0.583 350 HA SER 47 HA SER 47 -0.831 25.827 -1.320 351 HB2 SER 47 1HB SER 47 0.642 23.328 -2.141 352 HB3 SER 47 2HB SER 47 -1.043 23.480 -2.595 353 HG SER 47 HG SER 47 -0.437 25.639 -3.511 354 H SER 48 H SER 48 -2.906 25.420 -0.579 355 HA SER 48 HA SER 48 -4.534 24.590 0.590 356 HB2 SER 48 1HB SER 48 -3.057 21.922 0.548 357 HB3 SER 48 2HB SER 48 -4.767 22.154 0.848 358 HG SER 48 HG SER 48 -3.714 23.212 -1.579 359 H SER 49 H SER 49 -5.023 24.834 2.763 360 HA SER 49 HA SER 49 -2.952 25.191 4.561 361 HB2 SER 49 1HB SER 49 -5.938 24.763 5.003 362 HB3 SER 49 2HB SER 49 -4.835 25.237 6.280 363 HG SER 49 HG SER 49 -4.243 27.026 4.566 364 H LYS 50 H LYS 50 -3.307 23.971 6.928 365 HA LYS 50 HA LYS 50 -2.468 21.303 6.401 366 HB2 LYS 50 1HB LYS 50 -1.330 22.217 8.176 367 HB3 LYS 50 2HB LYS 50 -2.726 23.079 8.789 368 HG2 LYS 50 1HG LYS 50 -3.709 21.037 9.674 369 HG3 LYS 50 2HG LYS 50 -2.538 20.036 8.840 370 HD2 LYS 50 1HD LYS 50 -0.701 21.069 10.213 371 HD3 LYS 50 2HD LYS 50 -1.894 22.027 11.067 372 HE2 LYS 50 1HE LYS 50 -2.372 19.060 10.967 373 HE3 LYS 50 2HE LYS 50 -1.037 19.607 11.962 374 HZ1 LYS 50 1HZ LYS 50 -2.734 21.250 12.868 375 HZ2 LYS 50 2HZ LYS 50 -3.867 20.270 12.218 376 HZ3 LYS 50 3HZ LYS 50 -2.843 19.695 13.353 377 H GLU 51 H GLU 51 -5.358 22.819 7.979 378 HA GLU 51 HA GLU 51 -6.599 20.414 8.542 379 HB2 GLU 51 1HB GLU 51 -7.766 23.185 8.035 380 HB3 GLU 51 2HB GLU 51 -8.695 21.843 8.673 381 HG2 GLU 51 1HG GLU 51 -7.235 21.686 10.641 382 HG3 GLU 51 2HG GLU 51 -6.133 22.874 9.974 383 H ASP 52 H ASP 52 -6.255 22.251 5.552 384 HA ASP 52 HA ASP 52 -8.481 21.312 4.219 385 HB2 ASP 52 1HB ASP 52 -6.645 23.110 3.591 386 HB3 ASP 52 2HB ASP 52 -5.805 21.759 2.857 387 H TRP 53 H TRP 53 -5.176 19.995 4.762 388 HA TRP 53 HA TRP 53 -5.262 17.925 2.892 389 HB2 TRP 53 1HB TRP 53 -3.801 17.880 5.531 390 HB3 TRP 53 2HB TRP 53 -3.400 17.011 4.063 391 HD1 TRP 53 HD TRP 53 -3.769 19.702 2.122 392 HE1 TRP 53 1HE TRP 53 -1.864 21.527 2.038 393 HE3 TRP 53 3HE TRP 53 -1.620 18.420 6.549 394 HZ2 TRP 53 2HZ TRP 53 0.279 22.214 3.793 395 HZ3 TRP 53 3HZ TRP 53 0.374 19.718 7.291 396 HH2 TRP 53 HH TRP 53 1.324 21.558 5.992 397 HA PRO 54 HA PRO 54 -8.242 15.435 4.902 398 HB2 PRO 54 1HB PRO 54 -8.237 13.342 3.144 399 HB3 PRO 54 2HB PRO 54 -9.178 14.799 2.897 400 HG2 PRO 54 1HG PRO 54 -6.678 13.959 1.562 401 HG3 PRO 54 2HG PRO 54 -7.843 15.164 1.051 402 HD2 PRO 54 1HD PRO 54 -5.284 15.651 2.252 403 HD3 PRO 54 2HD PRO 54 -6.498 16.849 1.848 404 H SER 55 H SER 55 -8.273 14.045 6.583 405 HA SER 55 HA SER 55 -5.746 13.028 7.289 406 HB2 SER 55 1HB SER 55 -8.039 11.855 8.719 407 HB3 SER 55 2HB SER 55 -6.694 12.786 9.345 408 HG SER 55 HG SER 55 -8.379 14.157 9.673 409 H VAL 56 H VAL 56 -4.898 11.368 6.045 410 HA VAL 56 HA VAL 56 -6.706 9.123 5.473 411 HB VAL 56 HB VAL 56 -5.415 8.672 3.542 412 HG11 VAL 56 1HG1 VAL 56 -6.055 10.439 2.213 413 HG12 VAL 56 2HG1 VAL 56 -7.002 10.787 3.680 414 HG13 VAL 56 3HG1 VAL 56 -5.485 11.664 3.371 415 HG21 VAL 56 1HG2 VAL 56 -3.198 9.225 4.653 416 HG22 VAL 56 2HG2 VAL 56 -3.356 9.704 2.946 417 HG23 VAL 56 3HG2 VAL 56 -3.511 10.926 4.232 418 H ASN 57 H ASN 57 -5.241 6.997 5.156 419 HA ASN 57 HA ASN 57 -3.477 6.953 7.479 420 HB2 ASN 57 1HB ASN 57 -5.500 4.913 6.455 421 HB3 ASN 57 2HB ASN 57 -4.181 4.413 7.495 422 HD21 ASN 57 1HD2 ASN 57 -7.299 5.131 7.524 423 HD22 ASN 57 2HD2 ASN 57 -7.516 5.814 9.100 424 H MET 58 H MET 58 -1.477 5.791 7.186 425 HA MET 58 HA MET 58 -0.963 5.084 4.413 426 HB2 MET 58 1HB MET 58 0.471 6.830 5.597 427 HB3 MET 58 2HB MET 58 0.977 5.598 6.737 428 HG2 MET 58 1HG MET 58 2.710 5.281 5.263 429 HG3 MET 58 2HG MET 58 1.547 4.312 4.380 430 HE1 MET 58 1HE MET 58 3.761 7.793 3.846 431 HE2 MET 58 2HE MET 58 2.261 8.752 3.838 432 HE3 MET 58 3HE MET 58 2.644 7.710 5.230 433 H ASN 59 H ASN 59 -1.389 2.927 4.071 434 HA ASN 59 HA ASN 59 -0.982 1.068 6.180 435 HB2 ASN 59 1HB ASN 59 -2.833 0.736 4.583 436 HB3 ASN 59 2HB ASN 59 -1.723 0.742 3.227 437 HD21 ASN 59 1HD2 ASN 59 -3.651 -1.248 4.484 438 HD22 ASN 59 2HD2 ASN 59 -2.758 -2.727 4.614 439 H VAL 60 H VAL 60 0.764 -0.433 6.350 440 HA VAL 60 HA VAL 60 2.720 -0.420 4.174 441 HB VAL 60 HB VAL 60 3.275 0.051 7.108 442 HG11 VAL 60 1HG1 VAL 60 5.625 -0.033 6.611 443 HG12 VAL 60 2HG1 VAL 60 4.886 -1.544 6.030 444 HG13 VAL 60 3HG1 VAL 60 5.306 -0.256 4.875 445 HG21 VAL 60 1HG2 VAL 60 3.497 1.755 4.626 446 HG22 VAL 60 2HG2 VAL 60 2.704 2.124 6.176 447 HG23 VAL 60 3HG2 VAL 60 4.481 2.090 6.071 448 H ALA 61 H ALA 61 2.810 -2.485 3.467 449 HA ALA 61 HA ALA 61 3.417 -4.577 5.280 450 HB1 ALA 61 1HB ALA 61 1.325 -5.921 4.690 451 HB2 ALA 61 2HB ALA 61 1.090 -4.578 5.834 452 HB3 ALA 61 3HB ALA 61 0.611 -4.390 4.130 453 H ASP 62 H ASP 62 3.538 -6.730 4.014 454 HA ASP 62 HA ASP 62 4.637 -7.724 2.403 455 HB2 ASP 62 1HB ASP 62 2.110 -7.364 1.618 456 HB3 ASP 62 2HB ASP 62 2.840 -6.347 0.393 457 H ALA 63 H ALA 63 5.823 -5.164 3.088 458 HA ALA 63 HA ALA 63 7.213 -3.600 2.359 459 HB1 ALA 63 1HB ALA 63 7.943 -4.895 -0.173 460 HB2 ALA 63 2HB ALA 63 8.937 -4.565 1.267 461 HB3 ALA 63 3HB ALA 63 7.926 -6.029 1.199 462 H THR 64 H THR 64 4.716 -2.758 1.928 463 HA THR 64 HA THR 64 4.967 -1.338 -0.599 464 HB THR 64 HB THR 64 2.640 -3.168 0.171 465 HG1 THR 64 1HG THR 64 4.003 -4.304 -1.181 466 HG21 THR 64 1HG2 THR 64 2.847 -1.240 -2.199 467 HG22 THR 64 2HG2 THR 64 1.492 -2.334 -1.830 468 HG23 THR 64 3HG2 THR 64 1.825 -0.942 -0.772 469 H VAL 65 H VAL 65 3.527 0.555 -0.725 470 HA VAL 65 HA VAL 65 2.683 1.408 1.955 471 HB VAL 65 HB VAL 65 4.500 2.712 -0.021 472 HG11 VAL 65 1HG1 VAL 65 2.540 4.187 1.759 473 HG12 VAL 65 2HG1 VAL 65 4.027 4.928 1.119 474 HG13 VAL 65 3HG1 VAL 65 2.768 4.349 0.001 475 HG21 VAL 65 1HG2 VAL 65 5.924 2.443 1.672 476 HG22 VAL 65 2HG2 VAL 65 4.929 3.527 2.673 477 HG23 VAL 65 3HG2 VAL 65 4.622 1.774 2.685 478 H THR 66 H THR 66 0.482 1.275 1.784 479 HA THR 66 HA THR 66 -0.706 2.550 -0.594 480 HB THR 66 HB THR 66 -1.734 0.252 1.154 481 HG1 THR 66 1HG THR 66 -0.102 -0.479 -0.274 482 HG21 THR 66 1HG2 THR 66 -3.315 1.967 -0.301 483 HG22 THR 66 2HG2 THR 66 -2.821 0.828 -1.577 484 HG23 THR 66 3HG2 THR 66 -3.666 0.231 -0.128 485 H VAL 67 H VAL 67 -1.742 4.408 -0.267 486 HA VAL 67 HA VAL 67 -2.217 5.217 2.466 487 HB VAL 67 HB VAL 67 -2.561 6.620 -0.191 488 HG11 VAL 67 1HG1 VAL 67 -4.031 7.775 1.199 489 HG12 VAL 67 2HG1 VAL 67 -3.026 7.522 2.647 490 HG13 VAL 67 3HG1 VAL 67 -2.513 8.684 1.399 491 HG21 VAL 67 1HG2 VAL 67 -0.470 7.314 1.849 492 HG22 VAL 67 2HG2 VAL 67 -0.209 5.925 0.767 493 HG23 VAL 67 3HG2 VAL 67 -0.464 7.549 0.085 494 H ILE 68 H ILE 68 -4.016 4.411 3.437 495 HA ILE 68 HA ILE 68 -6.399 4.088 1.776 496 HB ILE 68 HB ILE 68 -5.711 3.013 4.514 497 HG12 ILE 68 1HG1 ILE 68 -5.648 1.790 1.751 498 HG13 ILE 68 2HG1 ILE 68 -4.343 1.913 2.915 499 HG21 ILE 68 1HG2 ILE 68 -8.247 3.360 3.265 500 HG22 ILE 68 2HG2 ILE 68 -7.869 1.621 3.280 501 HG23 ILE 68 3HG2 ILE 68 -7.857 2.547 4.800 502 HD11 ILE 68 1HD1 ILE 68 -4.987 -0.291 3.278 503 HD12 ILE 68 2HD1 ILE 68 -6.038 0.523 4.462 504 HD13 ILE 68 3HD1 ILE 68 -6.692 0.032 2.881 505 H SER 69 H SER 69 -8.396 5.061 2.338 506 HA SER 69 HA SER 69 -8.148 7.612 3.374 507 HB2 SER 69 1HB SER 69 -9.947 7.276 1.888 508 HB3 SER 69 2HB SER 69 -10.472 5.807 2.687 509 HG SER 69 HG SER 69 -10.858 8.538 3.505 510 H GLU 70 H GLU 70 -9.953 8.290 5.215 511 HA GLU 70 HA GLU 70 -9.066 6.804 7.526 512 HB2 GLU 70 1HB GLU 70 -8.742 9.061 7.969 513 HB3 GLU 70 2HB GLU 70 -10.122 9.566 7.016 514 HG2 GLU 70 1HG GLU 70 -11.669 8.690 8.764 515 HG3 GLU 70 2HG GLU 70 -10.302 8.138 9.712 516 H LYS 71 H LYS 71 -12.070 7.838 5.824 517 HA LYS 71 HA LYS 71 -13.639 6.267 7.714 518 HB2 LYS 71 1HB LYS 71 -14.270 8.418 5.709 519 HB3 LYS 71 2HB LYS 71 -15.533 7.330 6.247 520 HG2 LYS 71 1HG LYS 71 -13.753 8.664 8.304 521 HG3 LYS 71 2HG LYS 71 -15.053 9.583 7.572 522 HD2 LYS 71 1HD LYS 71 -16.630 7.654 8.218 523 HD3 LYS 71 2HD LYS 71 -15.305 6.983 9.148 524 HE2 LYS 71 1HE LYS 71 -16.202 8.261 10.839 525 HE3 LYS 71 2HE LYS 71 -15.242 9.532 10.108 526 HZ1 LYS 71 1HZ LYS 71 -17.061 10.545 9.384 527 HZ2 LYS 71 2HZ LYS 71 -17.787 9.175 8.873 528 HZ3 LYS 71 3HZ LYS 71 -17.888 9.617 10.442 529 H ASN 72 H ASN 72 -11.929 4.652 6.304 530 HA ASN 72 HA ASN 72 -13.614 2.826 5.215 531 HB2 ASN 72 1HB ASN 72 -12.719 4.885 3.258 532 HB3 ASN 72 2HB ASN 72 -12.381 3.246 2.738 533 HD21 ASN 72 1HD2 ASN 72 -14.278 1.678 3.323 534 HD22 ASN 72 2HD2 ASN 72 -15.850 2.188 2.806 535 H GLU 73 H GLU 73 -12.328 1.096 5.882 536 HA GLU 73 HA GLU 73 -9.478 1.397 5.764 537 HB2 GLU 73 1HB GLU 73 -11.416 -0.275 7.225 538 HB3 GLU 73 2HB GLU 73 -10.033 -1.196 6.667 539 HG2 GLU 73 1HG GLU 73 -9.702 1.468 8.106 540 HG3 GLU 73 2HG GLU 73 -9.842 -0.040 8.986 541 H GLU 74 H GLU 74 -11.742 0.663 3.499 542 HA GLU 74 HA GLU 74 -10.166 -1.507 2.367 543 HB2 GLU 74 1HB GLU 74 -13.045 -0.818 2.353 544 HB3 GLU 74 2HB GLU 74 -12.431 -1.251 0.770 545 HG2 GLU 74 1HG GLU 74 -11.556 -3.011 3.031 546 HG3 GLU 74 2HG GLU 74 -13.259 -3.085 2.623 547 H GLU 75 H GLU 75 -11.644 1.714 1.696 548 HA GLU 75 HA GLU 75 -10.947 1.953 -0.921 549 HB2 GLU 75 1HB GLU 75 -12.253 3.542 0.747 550 HB3 GLU 75 2HB GLU 75 -10.693 4.314 0.953 551 HG2 GLU 75 1HG GLU 75 -10.550 4.918 -1.360 552 HG3 GLU 75 2HG GLU 75 -11.795 3.778 -1.828 553 H VAL 76 H VAL 76 -9.101 2.635 -2.080 554 HA VAL 76 HA VAL 76 -6.676 2.953 -0.452 555 HB VAL 76 HB VAL 76 -7.143 1.309 -2.937 556 HG11 VAL 76 1HG1 VAL 76 -4.556 0.876 -2.565 557 HG12 VAL 76 2HG1 VAL 76 -5.132 2.235 -3.560 558 HG13 VAL 76 3HG1 VAL 76 -4.613 2.518 -1.881 559 HG21 VAL 76 1HG2 VAL 76 -7.481 0.461 -0.480 560 HG22 VAL 76 2HG2 VAL 76 -6.609 -0.548 -1.658 561 HG23 VAL 76 3HG2 VAL 76 -5.702 0.403 -0.458 562 H LEU 77 H LEU 77 -6.639 5.212 -0.555 563 HA LEU 77 HA LEU 77 -7.273 6.698 -2.807 564 HB2 LEU 77 1HB LEU 77 -5.398 7.311 -0.519 565 HB3 LEU 77 2HB LEU 77 -5.958 8.486 -1.691 566 HG LEU 77 HG LEU 77 -8.084 6.964 -0.287 567 HD11 LEU 77 1HD1 LEU 77 -6.919 7.194 1.680 568 HD12 LEU 77 2HD1 LEU 77 -6.104 8.688 1.157 569 HD13 LEU 77 3HD1 LEU 77 -7.817 8.730 1.637 570 HD21 LEU 77 1HD2 LEU 77 -7.659 9.860 -1.062 571 HD22 LEU 77 2HD2 LEU 77 -8.734 8.667 -1.831 572 HD23 LEU 77 3HD2 LEU 77 -9.089 9.256 -0.189 573 H VAL 78 H VAL 78 -3.941 5.935 -1.558 574 HA VAL 78 HA VAL 78 -3.091 5.887 -4.370 575 HB VAL 78 HB VAL 78 -1.849 7.226 -1.978 576 HG11 VAL 78 1HG1 VAL 78 -0.153 5.763 -3.108 577 HG12 VAL 78 2HG1 VAL 78 -0.428 6.686 -4.605 578 HG13 VAL 78 3HG1 VAL 78 0.226 7.501 -3.164 579 HG21 VAL 78 1HG2 VAL 78 -2.828 8.983 -2.968 580 HG22 VAL 78 2HG2 VAL 78 -1.568 8.839 -4.217 581 HG23 VAL 78 3HG2 VAL 78 -3.154 8.069 -4.460 582 H GLU 79 H GLU 79 -1.627 4.250 -4.940 583 HA GLU 79 HA GLU 79 -1.042 2.394 -2.766 584 HB2 GLU 79 1HB GLU 79 -2.839 1.536 -4.277 585 HB3 GLU 79 2HB GLU 79 -1.757 1.686 -5.647 586 HG2 GLU 79 1HG GLU 79 -0.594 -0.213 -5.103 587 HG3 GLU 79 2HG GLU 79 -0.570 0.172 -3.393 588 H CYS 80 H CYS 80 1.120 2.789 -2.377 589 HA CYS 80 HA CYS 80 2.847 2.866 -4.742 590 HB2 CYS 80 1HB CYS 80 3.227 4.124 -2.008 591 HB3 CYS 80 2HB CYS 80 4.495 4.020 -3.213 592 HG CYS 80 HG CYS 80 1.659 4.962 -4.400 593 H ARG 81 H ARG 81 4.847 1.599 -4.614 594 HA ARG 81 HA ARG 81 4.766 -0.372 -2.475 595 HB2 ARG 81 1HB ARG 81 5.445 -0.850 -5.422 596 HB3 ARG 81 2HB ARG 81 5.612 -2.058 -4.163 597 HG2 ARG 81 1HG ARG 81 3.361 -2.481 -4.091 598 HG3 ARG 81 2HG ARG 81 2.939 -0.783 -4.186 599 HD2 ARG 81 1HD ARG 81 4.056 -2.139 -6.651 600 HD3 ARG 81 2HD ARG 81 2.387 -2.438 -6.209 601 HE ARG 81 HE ARG 81 3.123 0.408 -6.220 602 HH11 ARG 81 2HH2 ARG 81 1.885 -2.282 -8.122 603 HH12 ARG 81 1HH2 ARG 81 1.112 -1.265 -9.292 604 HH21 ARG 81 2HH1 ARG 81 2.104 1.750 -7.764 605 HH22 ARG 81 1HH1 ARG 81 1.237 1.043 -9.087 606 H VAL 82 H VAL 82 6.831 -1.017 -1.636 607 HA VAL 82 HA VAL 82 8.868 0.887 -1.849 608 HB VAL 82 HB VAL 82 10.087 -0.539 -0.392 609 HG11 VAL 82 1HG1 VAL 82 8.639 0.116 1.177 610 HG12 VAL 82 2HG1 VAL 82 7.276 0.028 0.036 611 HG13 VAL 82 3HG1 VAL 82 7.775 -1.422 0.940 612 HG21 VAL 82 1HG2 VAL 82 8.785 -2.896 0.029 613 HG22 VAL 82 2HG2 VAL 82 8.545 -2.685 -1.722 614 HG23 VAL 82 3HG2 VAL 82 10.191 -2.700 -1.045 615 H ARG 83 H ARG 83 7.972 -1.836 -3.836 616 HA ARG 83 HA ARG 83 10.590 -2.242 -4.843 617 HB2 ARG 83 1HB ARG 83 9.486 -3.796 -6.422 618 HB3 ARG 83 2HB ARG 83 8.879 -4.061 -4.800 619 HG2 ARG 83 1HG ARG 83 6.796 -3.822 -5.682 620 HG3 ARG 83 2HG ARG 83 7.140 -2.106 -5.770 621 HD2 ARG 83 1HD ARG 83 7.581 -2.160 -8.063 622 HD3 ARG 83 2HD ARG 83 8.180 -3.806 -8.023 623 HE ARG 83 HE ARG 83 5.435 -2.987 -8.473 624 HH11 ARG 83 2HH2 ARG 83 7.395 -5.557 -7.081 625 HH12 ARG 83 1HH2 ARG 83 6.178 -6.772 -7.291 626 HH21 ARG 83 2HH1 ARG 83 3.830 -4.589 -8.749 627 HH22 ARG 83 1HH1 ARG 83 4.137 -6.218 -8.245 628 H PHE 84 H PHE 84 7.899 -0.088 -5.463 629 HA PHE 84 HA PHE 84 9.005 0.609 -8.082 630 HB2 PHE 84 1HB PHE 84 6.348 0.557 -6.713 631 HB3 PHE 84 2HB PHE 84 6.625 2.052 -7.584 632 HD1 PHE 84 2HD PHE 84 7.842 1.469 -10.022 633 HD2 PHE 84 1HD PHE 84 5.092 -0.960 -7.890 634 HE1 PHE 84 2HE PHE 84 7.174 0.344 -12.164 635 HE2 PHE 84 1HE PHE 84 4.424 -2.085 -10.032 636 HZ PHE 84 HZ PHE 84 5.473 -1.419 -12.144 637 H LEU 85 H LEU 85 9.413 1.435 -4.894 638 HA LEU 85 HA LEU 85 9.189 4.277 -5.128 639 HB2 LEU 85 1HB LEU 85 9.483 2.344 -3.068 640 HB3 LEU 85 2HB LEU 85 10.839 3.448 -2.944 641 HG LEU 85 HG LEU 85 8.142 4.671 -3.278 642 HD11 LEU 85 1HD1 LEU 85 8.926 2.980 -0.941 643 HD12 LEU 85 2HD1 LEU 85 8.028 4.489 -0.646 644 HD13 LEU 85 3HD1 LEU 85 7.334 3.230 -1.696 645 HD21 LEU 85 1HD2 LEU 85 10.744 5.525 -2.592 646 HD22 LEU 85 2HD2 LEU 85 9.249 6.488 -2.658 647 HD23 LEU 85 3HD2 LEU 85 9.742 5.716 -1.133 648 H SER 86 H SER 86 11.119 5.734 -4.754 649 HA SER 86 HA SER 86 13.464 4.572 -6.038 650 HB2 SER 86 1HB SER 86 11.793 6.826 -6.895 651 HB3 SER 86 2HB SER 86 13.460 7.321 -6.682 652 HG SER 86 HG SER 86 13.075 4.864 -8.039 653 H PHE 87 H PHE 87 12.070 7.138 -3.915 654 HA PHE 87 HA PHE 87 14.153 6.864 -2.048 655 HB2 PHE 87 1HB PHE 87 15.216 8.192 -4.011 656 HB3 PHE 87 2HB PHE 87 14.038 9.453 -3.705 657 HD1 PHE 87 2HD PHE 87 17.054 7.801 -2.459 658 HD2 PHE 87 1HD PHE 87 14.220 10.878 -1.747 659 HE1 PHE 87 2HE PHE 87 18.593 8.824 -0.760 660 HE2 PHE 87 1HE PHE 87 15.759 11.902 -0.048 661 HZ PHE 87 HZ PHE 87 17.926 10.863 0.425 662 H MET 88 H MET 88 14.009 8.818 -0.381 663 HA MET 88 HA MET 88 11.667 10.329 -0.383 664 HB2 MET 88 1HB MET 88 10.359 9.143 1.321 665 HB3 MET 88 2HB MET 88 10.705 8.000 0.038 666 HG2 MET 88 1HG MET 88 12.603 7.066 1.342 667 HG3 MET 88 2HG MET 88 12.350 8.255 2.604 668 HE1 MET 88 1HE MET 88 10.903 4.345 1.881 669 HE2 MET 88 2HE MET 88 9.573 5.161 1.025 670 HE3 MET 88 3HE MET 88 11.261 5.508 0.582 671 H GLY 89 H GLY 89 11.279 10.326 2.544 672 HA2 GLY 89 1HA GLY 89 13.182 10.424 4.306 673 HA3 GLY 89 2HA GLY 89 13.769 11.707 3.266 674 H VAL 90 H VAL 90 13.185 12.416 5.838 675 HA VAL 90 HA VAL 90 10.457 13.418 5.878 676 HB VAL 90 HB VAL 90 12.703 13.384 7.900 677 HG11 VAL 90 1HG1 VAL 90 10.558 15.199 7.789 678 HG12 VAL 90 2HG1 VAL 90 10.093 13.986 9.006 679 HG13 VAL 90 3HG1 VAL 90 11.629 14.871 9.172 680 HG21 VAL 90 1HG2 VAL 90 10.573 12.009 8.965 681 HG22 VAL 90 2HG2 VAL 90 10.468 11.584 7.240 682 HG23 VAL 90 3HG2 VAL 90 11.969 11.271 8.144 683 H GLY 91 H GLY 91 9.918 15.458 5.283 684 HA2 GLY 91 1HA GLY 91 11.776 17.176 4.081 685 HA3 GLY 91 2HA GLY 91 10.140 17.575 4.564 686 H LYS 92 H LYS 92 11.405 19.720 4.973 687 HA LYS 92 HA LYS 92 13.272 20.136 6.847 688 HB2 LYS 92 1HB LYS 92 10.814 21.711 6.103 689 HB3 LYS 92 2HB LYS 92 11.904 22.296 7.344 690 HG2 LYS 92 1HG LYS 92 12.884 21.444 4.584 691 HG3 LYS 92 2HG LYS 92 12.373 23.085 4.931 692 HD2 LYS 92 1HD LYS 92 14.111 22.520 7.052 693 HD3 LYS 92 2HD LYS 92 14.865 21.690 5.705 694 HE2 LYS 92 1HE LYS 92 14.789 23.788 4.353 695 HE3 LYS 92 2HE LYS 92 14.000 24.623 5.677 696 HZ1 LYS 92 1HZ LYS 92 16.444 23.279 6.361 697 HZ2 LYS 92 2HZ LYS 92 16.613 24.549 5.348 698 HZ3 LYS 92 3HZ LYS 92 15.906 24.756 6.805 699 H ASP 93 H ASP 93 9.724 20.220 7.649 700 HA ASP 93 HA ASP 93 10.322 19.989 10.394 701 HB2 ASP 93 1HB ASP 93 8.029 20.525 8.719 702 HB3 ASP 93 2HB ASP 93 7.594 19.236 9.823 703 H VAL 94 H VAL 94 9.846 18.112 11.777 704 HA VAL 94 HA VAL 94 10.289 15.618 10.451 705 HB VAL 94 HB VAL 94 10.369 14.720 12.696 706 HG11 VAL 94 1HG1 VAL 94 11.979 16.922 11.749 707 HG12 VAL 94 2HG1 VAL 94 11.897 16.946 13.527 708 HG13 VAL 94 3HG1 VAL 94 12.464 15.486 12.681 709 HG21 VAL 94 1HG2 VAL 94 9.398 17.454 13.598 710 HG22 VAL 94 2HG2 VAL 94 8.506 15.917 13.711 711 HG23 VAL 94 3HG2 VAL 94 9.984 16.162 14.674 712 H HIS 95 H HIS 95 7.573 17.545 10.838 713 HA HIS 95 HA HIS 95 5.804 15.262 11.231 714 HB2 HIS 95 1HB HIS 95 4.864 18.103 11.000 715 HB3 HIS 95 2HB HIS 95 4.139 16.759 11.860 716 HD1 HIS 95 1HD HIS 95 7.296 18.929 12.107 717 HD2 HIS 95 2HD HIS 95 4.643 16.784 14.548 718 HE1 HIS 95 1HE HIS 95 8.004 19.393 14.514 719 H THR 96 H THR 96 7.352 15.377 8.815 720 HA THR 96 HA THR 96 5.161 15.416 6.924 721 HB THR 96 HB THR 96 6.552 16.896 5.359 722 HG1 THR 96 1HG THR 96 7.829 17.433 7.945 723 HG21 THR 96 1HG2 THR 96 4.674 17.888 6.763 724 HG22 THR 96 2HG2 THR 96 5.872 18.222 8.036 725 HG23 THR 96 3HG2 THR 96 6.004 19.029 6.455 726 H PHE 97 H PHE 97 5.397 13.935 5.289 727 HA PHE 97 HA PHE 97 8.018 12.682 5.043 728 HB2 PHE 97 1HB PHE 97 6.676 11.355 6.686 729 HB3 PHE 97 2HB PHE 97 5.296 11.365 5.607 730 HD1 PHE 97 2HD PHE 97 8.909 10.407 5.414 731 HD2 PHE 97 1HD PHE 97 4.889 9.386 4.517 732 HE1 PHE 97 2HE PHE 97 9.684 8.244 4.404 733 HE2 PHE 97 1HE PHE 97 5.664 7.224 3.507 734 HZ PHE 97 HZ PHE 97 8.052 6.678 3.462 735 H ALA 98 H ALA 98 8.555 12.372 2.926 736 HA ALA 98 HA ALA 98 6.384 12.011 1.011 737 HB1 ALA 98 1HB ALA 98 6.641 14.045 0.096 738 HB2 ALA 98 2HB ALA 98 7.796 14.462 1.385 739 HB3 ALA 98 3HB ALA 98 8.380 13.742 -0.134 740 H PHE 99 H PHE 99 7.016 10.814 -0.858 741 HA PHE 99 HA PHE 99 9.788 9.943 -0.941 742 HB2 PHE 99 1HB PHE 99 9.022 7.567 -0.978 743 HB3 PHE 99 2HB PHE 99 8.467 8.330 0.498 744 HD1 PHE 99 2HD PHE 99 7.361 7.441 -2.937 745 HD2 PHE 99 1HD PHE 99 6.196 8.322 1.048 746 HE1 PHE 99 2HE PHE 99 5.002 6.775 -3.479 747 HE2 PHE 99 1HE PHE 99 3.837 7.656 0.505 748 HZ PHE 99 HZ PHE 99 3.268 6.891 -1.752 749 H ILE 100 H ILE 100 10.503 9.427 -3.027 750 HA ILE 100 HA ILE 100 8.653 10.177 -5.126 751 HB ILE 100 HB ILE 100 11.586 9.490 -5.301 752 HG12 ILE 100 1HG1 ILE 100 10.374 12.252 -5.024 753 HG13 ILE 100 2HG1 ILE 100 11.050 11.355 -3.679 754 HG21 ILE 100 1HG2 ILE 100 9.536 10.312 -7.232 755 HG22 ILE 100 2HG2 ILE 100 11.004 11.318 -7.266 756 HG23 ILE 100 3HG2 ILE 100 11.127 9.556 -7.488 757 HD11 ILE 100 1HD1 ILE 100 12.608 11.935 -6.236 758 HD12 ILE 100 2HD1 ILE 100 12.663 12.975 -4.793 759 HD13 ILE 100 3HD1 ILE 100 13.250 11.297 -4.703 760 H MET 101 H MET 101 7.519 8.739 -6.313 761 HA MET 101 HA MET 101 8.409 5.968 -6.127 762 HB2 MET 101 1HB MET 101 6.066 5.352 -6.398 763 HB3 MET 101 2HB MET 101 6.100 6.642 -5.212 764 HG2 MET 101 1HG MET 101 5.651 8.290 -7.124 765 HG3 MET 101 2HG MET 101 5.413 6.910 -8.177 766 HE1 MET 101 1HE MET 101 3.418 5.259 -8.063 767 HE2 MET 101 2HE MET 101 4.079 4.746 -6.492 768 HE3 MET 101 3HE MET 101 2.344 5.111 -6.651 769 H ASP 102 H ASP 102 7.777 4.588 -8.122 770 HA ASP 102 HA ASP 102 8.313 6.213 -10.481 771 HB2 ASP 102 1HB ASP 102 10.152 4.760 -10.307 772 HB3 ASP 102 2HB ASP 102 9.200 3.471 -9.597 773 H THR 103 H THR 103 6.549 6.307 -11.879 774 HA THR 103 HA THR 103 4.526 4.192 -11.639 775 HB THR 103 HB THR 103 2.978 5.883 -12.430 776 HG1 THR 103 1HG THR 103 3.960 7.900 -13.267 777 HG21 THR 103 1HG2 THR 103 4.254 6.306 -10.074 778 HG22 THR 103 2HG2 THR 103 4.847 7.733 -10.957 779 HG23 THR 103 3HG2 THR 103 3.098 7.487 -10.734 780 H GLY 104 H GLY 104 6.728 5.855 -13.909 781 HA2 GLY 104 1HA GLY 104 7.532 4.145 -15.590 782 HA3 GLY 104 2HA GLY 104 5.839 3.982 -16.013 783 H ASN 105 H ASN 105 7.788 4.793 -17.911 784 HA ASN 105 HA ASN 105 8.077 6.257 -19.483 785 HB2 ASN 105 1HB ASN 105 5.499 7.237 -18.280 786 HB3 ASN 105 2HB ASN 105 6.339 8.374 -19.315 787 HD21 ASN 105 1HD2 ASN 105 5.711 8.345 -21.321 788 HD22 ASN 105 2HD2 ASN 105 5.158 6.983 -22.238 789 H GLN 106 H GLN 106 9.888 6.543 -17.515 790 HA GLN 106 HA GLN 106 11.050 7.871 -16.187 791 HB2 GLN 106 1HB GLN 106 10.734 9.446 -18.763 792 HB3 GLN 106 2HB GLN 106 11.777 10.023 -17.479 793 HG2 GLN 106 1HG GLN 106 13.399 8.518 -18.001 794 HG3 GLN 106 2HG GLN 106 12.265 7.182 -17.969 795 HE21 GLN 106 1HE2 GLN 106 14.496 8.271 -19.810 796 HE22 GLN 106 2HE2 GLN 106 13.840 8.137 -21.407 797 H ARG 107 H ARG 107 8.541 8.000 -15.159 798 HA ARG 107 HA ARG 107 8.279 10.843 -14.602 799 HB2 ARG 107 1HB ARG 107 6.315 9.085 -15.773 800 HB3 ARG 107 2HB ARG 107 5.757 9.480 -14.159 801 HG2 ARG 107 1HG ARG 107 6.840 11.779 -15.737 802 HG3 ARG 107 2HG ARG 107 5.355 11.081 -16.353 803 HD2 ARG 107 1HD ARG 107 4.814 11.219 -13.630 804 HD3 ARG 107 2HD ARG 107 5.818 12.636 -13.859 805 HE ARG 107 HE ARG 107 3.751 12.376 -15.911 806 HH11 ARG 107 2HH2 ARG 107 4.440 13.561 -12.671 807 HH12 ARG 107 1HH2 ARG 107 3.162 14.730 -12.688 808 HH21 ARG 107 2HH1 ARG 107 2.064 13.917 -15.935 809 HH22 ARG 107 1HH1 ARG 107 1.801 14.934 -14.557 810 H PHE 108 H PHE 108 8.106 11.370 -12.393 811 HA PHE 108 HA PHE 108 7.793 9.108 -10.556 812 HB2 PHE 108 1HB PHE 108 9.695 11.508 -10.283 813 HB3 PHE 108 2HB PHE 108 9.637 10.118 -9.218 814 HD1 PHE 108 2HD PHE 108 9.872 7.789 -10.662 815 HD2 PHE 108 1HD PHE 108 11.505 11.567 -11.692 816 HE1 PHE 108 2HE PHE 108 11.627 6.652 -12.051 817 HE2 PHE 108 1HE PHE 108 13.259 10.431 -13.081 818 HZ PHE 108 HZ PHE 108 13.299 7.986 -13.244 819 H GLU 109 H GLU 109 6.567 9.523 -8.706 820 HA GLU 109 HA GLU 109 5.576 12.261 -8.520 821 HB2 GLU 109 1HB GLU 109 4.039 9.693 -7.930 822 HB3 GLU 109 2HB GLU 109 3.409 11.318 -7.750 823 HG2 GLU 109 1HG GLU 109 3.669 11.738 -10.169 824 HG3 GLU 109 2HG GLU 109 4.446 10.184 -10.389 825 H CYS 110 H CYS 110 5.610 13.225 -6.484 826 HA CYS 110 HA CYS 110 6.703 11.531 -4.361 827 HB2 CYS 110 1HB CYS 110 8.130 13.446 -5.165 828 HB3 CYS 110 2HB CYS 110 6.899 14.551 -4.586 829 HG CYS 110 HG CYS 110 7.780 12.132 -2.593 830 H HIS 111 H HIS 111 5.106 10.921 -2.940 831 HA HIS 111 HA HIS 111 2.772 12.624 -2.711 832 HB2 HIS 111 1HB HIS 111 3.382 9.830 -1.712 833 HB3 HIS 111 2HB HIS 111 1.889 10.681 -1.370 834 HD1 HIS 111 1HD HIS 111 0.105 10.763 -3.211 835 HD2 HIS 111 2HD HIS 111 3.738 9.096 -4.484 836 HE1 HIS 111 1HE HIS 111 -0.342 9.744 -5.507 837 H VAL 112 H VAL 112 2.880 14.273 -1.272 838 HA VAL 112 HA VAL 112 4.664 14.032 0.992 839 HB VAL 112 HB VAL 112 2.899 16.266 -0.028 840 HG11 VAL 112 1HG1 VAL 112 4.861 17.372 1.610 841 HG12 VAL 112 2HG1 VAL 112 3.136 17.177 2.003 842 HG13 VAL 112 3HG1 VAL 112 4.310 15.936 2.507 843 HG21 VAL 112 1HG2 VAL 112 5.916 15.943 -0.145 844 HG22 VAL 112 2HG2 VAL 112 4.802 15.643 -1.500 845 HG23 VAL 112 3HG2 VAL 112 4.956 17.281 -0.821 846 H PHE 113 H PHE 113 4.025 14.006 3.178 847 HA PHE 113 HA PHE 113 1.175 13.946 3.717 848 HB2 PHE 113 1HB PHE 113 3.210 11.730 4.371 849 HB3 PHE 113 2HB PHE 113 1.573 11.759 4.996 850 HD1 PHE 113 1HD PHE 113 -0.349 11.599 3.350 851 HD2 PHE 113 2HD PHE 113 3.675 10.828 2.246 852 HE1 PHE 113 1HE PHE 113 -1.144 10.352 1.322 853 HE2 PHE 113 2HE PHE 113 2.880 9.581 0.218 854 HZ PHE 113 HZ PHE 113 0.479 9.358 -0.220 855 H TRP 114 H TRP 114 0.768 13.850 6.158 856 HA TRP 114 HA TRP 114 3.012 15.144 7.553 857 HB2 TRP 114 1HB TRP 114 1.226 16.731 6.993 858 HB3 TRP 114 2HB TRP 114 0.057 15.725 7.826 859 HD1 TRP 114 HD TRP 114 0.809 15.336 10.632 860 HE1 TRP 114 1HE TRP 114 1.587 17.135 12.399 861 HE3 TRP 114 3HE TRP 114 2.298 18.805 7.225 862 HZ2 TRP 114 2HZ TRP 114 2.713 19.748 12.178 863 HZ3 TRP 114 3HZ TRP 114 3.226 20.953 8.085 864 HH2 TRP 114 HH TRP 114 3.444 21.451 10.468 865 H CYS 115 H CYS 115 3.789 13.806 9.125 866 HA CYS 115 HA CYS 115 1.863 11.950 10.323 867 HB2 CYS 115 1HB CYS 115 4.846 11.481 10.272 868 HB3 CYS 115 2HB CYS 115 3.560 10.329 10.573 869 HG CYS 115 HG CYS 115 4.485 11.862 7.805 870 H GLU 116 H GLU 116 1.909 11.766 12.644 871 HA GLU 116 HA GLU 116 3.640 13.717 13.943 872 HB2 GLU 116 1HB GLU 116 0.732 13.174 14.688 873 HB3 GLU 116 2HB GLU 116 1.799 14.329 15.462 874 HG2 GLU 116 1HG GLU 116 1.233 15.898 13.930 875 HG3 GLU 116 2HG GLU 116 1.873 14.890 12.647 876 HA PRO 117 HA PRO 117 3.709 14.276 15.971 877 HB2 PRO 117 1HB PRO 117 5.847 14.269 17.674 878 HB3 PRO 117 2HB PRO 117 4.183 14.254 18.224 879 HG2 PRO 117 1HG PRO 117 6.139 12.038 18.176 880 HG3 PRO 117 2HG PRO 117 4.649 12.167 19.090 881 HD2 PRO 117 1HD PRO 117 5.077 10.617 16.715 882 HD3 PRO 117 2HD PRO 117 3.559 10.839 17.562 883 H ASN 118 H ASN 118 5.696 11.884 14.713 884 HA ASN 118 HA ASN 118 6.876 13.855 13.021 885 HB2 ASN 118 1HB ASN 118 9.198 12.537 13.548 886 HB3 ASN 118 2HB ASN 118 8.744 14.003 14.394 887 HD21 ASN 118 1HD2 ASN 118 10.233 11.398 15.033 888 HD22 ASN 118 2HD2 ASN 118 9.603 10.893 16.565 889 H ALA 119 H ALA 119 7.725 12.822 11.045 890 HA ALA 119 HA ALA 119 6.573 10.224 10.590 891 HB1 ALA 119 1HB ALA 119 6.279 11.331 8.641 892 HB2 ALA 119 2HB ALA 119 7.543 12.523 9.029 893 HB3 ALA 119 3HB ALA 119 7.988 10.953 8.318 894 H ALA 120 H ALA 120 8.355 9.798 12.574 895 HA ALA 120 HA ALA 120 10.897 9.071 11.365 896 HB1 ALA 120 1HB ALA 120 10.793 8.256 14.066 897 HB2 ALA 120 2HB ALA 120 11.582 9.710 13.409 898 HB3 ALA 120 3HB ALA 120 9.905 9.797 13.999 899 H ASN 121 H ASN 121 8.092 7.570 13.104 900 HA ASN 121 HA ASN 121 9.105 4.978 12.799 901 HB2 ASN 121 1HB ASN 121 6.458 6.215 13.582 902 HB3 ASN 121 2HB ASN 121 6.465 4.510 13.176 903 HD21 ASN 121 1HD2 ASN 121 5.741 5.061 15.626 904 HD22 ASN 121 2HD2 ASN 121 6.960 4.702 16.803 905 H VAL 122 H VAL 122 6.743 7.068 11.030 906 HA VAL 122 HA VAL 122 5.782 5.138 9.268 907 HB VAL 122 HB VAL 122 6.017 8.134 9.229 908 HG11 VAL 122 1HG1 VAL 122 4.211 7.499 7.211 909 HG12 VAL 122 2HG1 VAL 122 5.856 8.144 6.996 910 HG13 VAL 122 3HG1 VAL 122 5.573 6.388 6.929 911 HG21 VAL 122 1HG2 VAL 122 3.448 6.601 9.070 912 HG22 VAL 122 2HG2 VAL 122 4.329 6.628 10.616 913 HG23 VAL 122 3HG2 VAL 122 3.808 8.154 9.862 914 H SER 123 H SER 123 8.370 7.645 8.755 915 HA SER 123 HA SER 123 9.116 6.815 6.281 916 HB2 SER 123 1HB SER 123 10.045 8.847 7.045 917 HB3 SER 123 2HB SER 123 10.589 8.151 8.558 918 HG SER 123 HG SER 123 11.683 7.240 6.056 919 H GLU 124 H GLU 124 10.124 5.586 9.516 920 HA GLU 124 HA GLU 124 12.111 3.893 8.513 921 HB2 GLU 124 1HB GLU 124 10.641 4.211 11.118 922 HB3 GLU 124 2HB GLU 124 11.530 2.722 10.867 923 HG2 GLU 124 1HG GLU 124 12.992 5.225 10.129 924 HG3 GLU 124 2HG GLU 124 12.654 5.031 11.838 925 H ALA 125 H ALA 125 8.726 3.244 9.682 926 HA ALA 125 HA ALA 125 8.638 0.561 9.175 927 HB1 ALA 125 1HB ALA 125 6.901 1.884 10.341 928 HB2 ALA 125 2HB ALA 125 6.433 2.628 8.793 929 HB3 ALA 125 3HB ALA 125 6.199 0.882 9.048 930 H VAL 126 H VAL 126 8.460 3.316 6.909 931 HA VAL 126 HA VAL 126 7.696 1.619 4.715 932 HB VAL 126 HB VAL 126 8.490 4.522 4.969 933 HG11 VAL 126 1HG1 VAL 126 8.697 2.960 2.650 934 HG12 VAL 126 2HG1 VAL 126 7.159 3.839 2.478 935 HG13 VAL 126 3HG1 VAL 126 8.671 4.737 2.753 936 HG21 VAL 126 1HG2 VAL 126 5.835 3.131 4.489 937 HG22 VAL 126 2HG2 VAL 126 6.328 4.046 5.934 938 HG23 VAL 126 3HG2 VAL 126 6.088 4.889 4.385 939 H GLN 127 H GLN 127 10.649 3.308 5.927 940 HA GLN 127 HA GLN 127 12.250 2.646 3.777 941 HB2 GLN 127 1HB GLN 127 12.891 3.213 6.698 942 HB3 GLN 127 2HB GLN 127 14.143 2.973 5.495 943 HG2 GLN 127 1HG GLN 127 12.050 4.888 4.632 944 HG3 GLN 127 2HG GLN 127 12.901 5.401 6.075 945 HE21 GLN 127 1HE2 GLN 127 14.885 6.208 5.936 946 HE22 GLN 127 2HE2 GLN 127 15.854 6.296 4.504 947 H ALA 128 H ALA 128 11.882 1.009 7.005 948 HA ALA 128 HA ALA 128 13.617 -1.015 6.785 949 HB1 ALA 128 1HB ALA 128 12.518 -1.391 8.713 950 HB2 ALA 128 2HB ALA 128 11.086 -0.505 8.137 951 HB3 ALA 128 3HB ALA 128 11.275 -2.234 7.757 952 H ALA 129 H ALA 129 10.632 -0.550 4.901 953 HA ALA 129 HA ALA 129 10.717 -3.212 3.821 954 HB1 ALA 129 1HB ALA 129 8.590 -2.028 4.186 955 HB2 ALA 129 2HB ALA 129 9.105 -0.737 3.074 956 HB3 ALA 129 3HB ALA 129 8.821 -2.382 2.457 957 H CYS 130 H CYS 130 11.248 0.158 2.561 958 HA CYS 130 HA CYS 130 12.042 -0.570 0.038 959 HB2 CYS 130 1HB CYS 130 13.087 1.793 1.631 960 HB3 CYS 130 2HB CYS 130 13.078 1.631 -0.114 961 HG CYS 130 HG CYS 130 10.494 1.419 -0.397 962 H SER 131 H SER 131 14.166 0.299 2.876 963 HA SER 131 HA SER 131 16.307 -0.077 3.200 964 HB2 SER 131 1HB SER 131 14.937 -2.251 3.818 965 HB3 SER 131 2HB SER 131 15.790 -2.969 2.466 966 HG SER 131 HG SER 131 17.319 -3.326 3.933 967 H GLY 132 H GLY 132 17.379 1.030 1.485 968 HA2 GLY 132 1HA GLY 132 18.202 -0.703 -0.770 969 HA3 GLY 132 2HA GLY 132 17.827 1.000 -0.944 970 HA PRO 133 HA PRO 133 22.284 0.422 0.170 971 HB2 PRO 133 1HB PRO 133 23.479 0.740 -2.267 972 HB3 PRO 133 2HB PRO 133 23.156 -0.829 -1.555 973 HG2 PRO 133 1HG PRO 133 21.737 0.532 -3.762 974 HG3 PRO 133 2HG PRO 133 21.716 -1.164 -3.325 975 HD2 PRO 133 1HD PRO 133 19.663 0.769 -2.800 976 HD3 PRO 133 2HD PRO 133 19.695 -0.899 -2.262 977 H SER 134 H SER 134 24.152 2.010 -0.041 978 HA SER 134 HA SER 134 22.846 4.602 -0.212 979 HB2 SER 134 1HB SER 134 25.336 5.043 0.938 980 HB3 SER 134 2HB SER 134 23.832 4.845 1.815 981 HG SER 134 HG SER 134 25.971 3.309 2.020 982 H SER 135 H SER 135 25.270 2.498 -1.637 983 HA SER 135 HA SER 135 26.778 2.759 -3.190 984 HB2 SER 135 1HB SER 135 24.406 4.316 -4.100 985 HB3 SER 135 2HB SER 135 25.883 4.651 -4.980 986 HG SER 135 HG SER 135 26.091 2.388 -5.455 987 H GLY 136 H GLY 136 27.670 4.085 -0.996 988 HA2 GLY 136 1HA GLY 136 28.213 6.861 -1.501 989 HA3 GLY 136 2HA GLY 136 28.823 5.867 -0.193 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -22.648 -14.754 -20.178 2 HA2 GLY 1 1HA GLY 1 -23.667 -15.515 -17.865 3 HA3 GLY 1 2HA GLY 1 -23.234 -17.083 -18.516 4 H SER 2 H SER 2 -22.149 -14.710 -16.492 5 HA SER 2 HA SER 2 -19.371 -15.207 -17.232 6 HB2 SER 2 1HB SER 2 -18.797 -13.093 -16.138 7 HB3 SER 2 2HB SER 2 -20.040 -12.811 -17.341 8 HG SER 2 HG SER 2 -21.313 -12.056 -15.804 9 H SER 3 H SER 3 -17.838 -15.290 -15.279 10 HA SER 3 HA SER 3 -18.926 -15.720 -12.739 11 HB2 SER 3 1HB SER 3 -18.729 -18.079 -12.468 12 HB3 SER 3 2HB SER 3 -19.606 -17.865 -13.970 13 HG SER 3 HG SER 3 -17.760 -18.373 -15.167 14 H GLY 4 H GLY 4 -17.223 -15.922 -11.139 15 HA2 GLY 4 1HA GLY 4 -14.506 -16.368 -11.947 16 HA3 GLY 4 2HA GLY 4 -14.851 -14.675 -11.656 17 H SER 5 H SER 5 -13.201 -16.793 -10.145 18 HA SER 5 HA SER 5 -13.768 -15.839 -7.608 19 HB2 SER 5 1HB SER 5 -15.574 -17.817 -8.239 20 HB3 SER 5 2HB SER 5 -14.296 -18.771 -7.511 21 HG SER 5 HG SER 5 -16.060 -16.926 -6.331 22 H SER 6 H SER 6 -12.248 -16.827 -5.958 23 HA SER 6 HA SER 6 -10.467 -18.817 -6.656 24 HB2 SER 6 1HB SER 6 -8.403 -17.166 -6.789 25 HB3 SER 6 2HB SER 6 -9.308 -17.563 -8.235 26 HG SER 6 HG SER 6 -10.492 -15.582 -8.020 27 H GLY 7 H GLY 7 -10.994 -15.680 -4.963 28 HA2 GLY 7 1HA GLY 7 -10.830 -15.133 -2.786 29 HA3 GLY 7 2HA GLY 7 -10.739 -16.839 -2.399 30 HA PRO 8 HA PRO 8 -6.572 -14.743 -2.063 31 HB2 PRO 8 1HB PRO 8 -6.536 -13.794 0.500 32 HB3 PRO 8 2HB PRO 8 -6.870 -12.783 -0.892 33 HG2 PRO 8 1HG PRO 8 -8.753 -13.834 1.130 34 HG3 PRO 8 2HG PRO 8 -8.977 -12.509 0.006 35 HD2 PRO 8 1HD PRO 8 -10.070 -15.151 -0.217 36 HD3 PRO 8 2HD PRO 8 -10.197 -13.861 -1.396 37 H THR 9 H THR 9 -4.754 -15.865 -1.503 38 HA THR 9 HA THR 9 -5.170 -18.450 -0.554 39 HB THR 9 HB THR 9 -2.657 -18.450 -0.455 40 HG1 THR 9 1HG THR 9 -1.723 -16.269 -0.908 41 HG21 THR 9 1HG2 THR 9 -4.237 -17.642 -2.757 42 HG22 THR 9 2HG2 THR 9 -2.692 -16.758 -2.774 43 HG23 THR 9 3HG2 THR 9 -2.699 -18.538 -2.736 44 HA PRO 10 HA PRO 10 -5.207 -18.114 3.721 45 HB2 PRO 10 1HB PRO 10 -4.098 -20.483 4.512 46 HB3 PRO 10 2HB PRO 10 -5.760 -20.335 3.974 47 HG2 PRO 10 1HG PRO 10 -3.439 -21.468 2.534 48 HG3 PRO 10 2HG PRO 10 -5.147 -21.688 2.209 49 HD2 PRO 10 1HD PRO 10 -3.329 -20.002 0.767 50 HD3 PRO 10 2HD PRO 10 -5.059 -20.135 0.517 51 H LYS 11 H LYS 11 -3.740 -16.225 3.522 52 HA LYS 11 HA LYS 11 -1.465 -16.813 5.211 53 HB2 LYS 11 1HB LYS 11 -1.062 -16.760 2.472 54 HB3 LYS 11 2HB LYS 11 -0.671 -15.120 2.949 55 HG2 LYS 11 1HG LYS 11 0.492 -16.810 4.937 56 HG3 LYS 11 2HG LYS 11 0.851 -17.563 3.396 57 HD2 LYS 11 1HD LYS 11 1.523 -15.118 2.640 58 HD3 LYS 11 2HD LYS 11 1.605 -14.788 4.359 59 HE2 LYS 11 1HE LYS 11 2.964 -17.302 3.804 60 HE3 LYS 11 2HE LYS 11 3.582 -16.064 2.728 61 HZ1 LYS 11 1HZ LYS 11 4.704 -15.271 4.427 62 HZ2 LYS 11 2HZ LYS 11 3.324 -14.929 5.231 63 HZ3 LYS 11 3HZ LYS 11 4.060 -16.370 5.449 64 H THR 12 H THR 12 -0.350 -14.608 5.794 65 HA THR 12 HA THR 12 -1.843 -12.239 5.472 66 HB THR 12 HB THR 12 -3.399 -13.603 6.976 67 HG1 THR 12 1HG THR 12 -3.779 -11.524 7.626 68 HG21 THR 12 1HG2 THR 12 -1.108 -14.332 8.348 69 HG22 THR 12 2HG2 THR 12 -1.661 -12.941 9.312 70 HG23 THR 12 3HG2 THR 12 -2.737 -14.337 9.065 71 H GLU 13 H GLU 13 -0.750 -10.424 6.270 72 HA GLU 13 HA GLU 13 1.685 -11.041 7.727 73 HB2 GLU 13 1HB GLU 13 1.512 -10.127 4.963 74 HB3 GLU 13 2HB GLU 13 2.342 -8.931 5.939 75 HG2 GLU 13 1HG GLU 13 4.194 -10.232 5.669 76 HG3 GLU 13 2HG GLU 13 3.477 -11.285 6.873 77 H LEU 14 H LEU 14 2.382 -9.378 9.163 78 HA LEU 14 HA LEU 14 0.397 -7.783 10.227 79 HB2 LEU 14 1HB LEU 14 3.390 -7.820 10.437 80 HB3 LEU 14 2HB LEU 14 2.460 -6.568 11.237 81 HG LEU 14 HG LEU 14 2.995 -8.382 12.768 82 HD11 LEU 14 1HD1 LEU 14 0.244 -9.060 12.831 83 HD12 LEU 14 2HD1 LEU 14 1.108 -7.835 13.792 84 HD13 LEU 14 3HD1 LEU 14 0.363 -7.386 12.239 85 HD21 LEU 14 1HD2 LEU 14 3.223 -10.245 11.281 86 HD22 LEU 14 2HD2 LEU 14 1.947 -10.629 12.460 87 HD23 LEU 14 3HD2 LEU 14 1.511 -10.145 10.804 88 H VAL 15 H VAL 15 0.020 -5.486 10.191 89 HA VAL 15 HA VAL 15 1.237 -4.104 7.918 90 HB VAL 15 HB VAL 15 -1.719 -4.340 8.509 91 HG11 VAL 15 1HG1 VAL 15 -0.437 -2.735 6.282 92 HG12 VAL 15 2HG1 VAL 15 -2.148 -2.768 6.773 93 HG13 VAL 15 3HG1 VAL 15 -0.930 -2.024 7.837 94 HG21 VAL 15 1HG2 VAL 15 -1.787 -5.942 6.958 95 HG22 VAL 15 2HG2 VAL 15 -0.934 -4.908 5.788 96 HG23 VAL 15 3HG2 VAL 15 -0.008 -5.924 6.918 97 H GLN 16 H GLN 16 1.283 -1.780 8.154 98 HA GLN 16 HA GLN 16 0.706 -0.962 10.895 99 HB2 GLN 16 1HB GLN 16 3.116 -0.396 9.146 100 HB3 GLN 16 2HB GLN 16 2.682 0.711 10.433 101 HG2 GLN 16 1HG GLN 16 3.065 -0.892 12.133 102 HG3 GLN 16 2HG GLN 16 2.866 -2.249 11.042 103 HE21 GLN 16 1HE2 GLN 16 4.930 0.516 11.811 104 HE22 GLN 16 2HE2 GLN 16 6.430 -0.157 11.267 105 H LYS 17 H LYS 17 -1.032 0.396 10.853 106 HA LYS 17 HA LYS 17 -1.318 2.123 8.505 107 HB2 LYS 17 1HB LYS 17 -3.240 0.862 10.426 108 HB3 LYS 17 2HB LYS 17 -3.682 2.387 9.686 109 HG2 LYS 17 1HG LYS 17 -3.658 1.493 7.496 110 HG3 LYS 17 2HG LYS 17 -2.589 0.174 7.933 111 HD2 LYS 17 1HD LYS 17 -4.921 -0.127 9.561 112 HD3 LYS 17 2HD LYS 17 -5.500 0.246 7.949 113 HE2 LYS 17 1HE LYS 17 -3.900 -1.568 7.072 114 HE3 LYS 17 2HE LYS 17 -3.616 -2.020 8.741 115 HZ1 LYS 17 1HZ LYS 17 -5.670 -2.869 8.927 116 HZ2 LYS 17 2HZ LYS 17 -6.375 -1.780 7.935 117 HZ3 LYS 17 3HZ LYS 17 -5.547 -3.041 7.308 118 H PHE 18 H PHE 18 -0.900 4.263 8.666 119 HA PHE 18 HA PHE 18 -0.829 5.371 11.384 120 HB2 PHE 18 1HB PHE 18 0.949 5.800 8.912 121 HB3 PHE 18 2HB PHE 18 1.024 6.855 10.309 122 HD1 PHE 18 1HD PHE 18 1.619 5.789 12.566 123 HD2 PHE 18 2HD PHE 18 2.205 3.827 8.849 124 HE1 PHE 18 1HE PHE 18 3.277 4.243 13.643 125 HE2 PHE 18 2HE PHE 18 3.863 2.281 9.926 126 HZ PHE 18 HZ PHE 18 4.379 2.507 12.310 127 H ARG 19 H ARG 19 -2.549 6.733 11.581 128 HA ARG 19 HA ARG 19 -3.840 7.801 9.373 129 HB2 ARG 19 1HB ARG 19 -4.608 7.445 11.893 130 HB3 ARG 19 2HB ARG 19 -3.993 9.068 12.129 131 HG2 ARG 19 1HG ARG 19 -5.555 9.157 9.736 132 HG3 ARG 19 2HG ARG 19 -6.489 8.225 10.889 133 HD2 ARG 19 1HD ARG 19 -5.522 10.349 12.445 134 HD3 ARG 19 2HD ARG 19 -5.841 11.111 10.899 135 HE ARG 19 HE ARG 19 -8.106 9.560 11.342 136 HH11 ARG 19 2HH2 ARG 19 -6.431 12.057 13.170 137 HH12 ARG 19 1HH2 ARG 19 -7.866 12.619 13.961 138 HH21 ARG 19 2HH1 ARG 19 -9.999 10.300 12.386 139 HH22 ARG 19 1HH1 ARG 19 -9.909 11.613 13.512 140 H VAL 20 H VAL 20 -2.662 9.158 8.000 141 HA VAL 20 HA VAL 20 -1.527 11.549 9.270 142 HB VAL 20 HB VAL 20 0.360 11.475 7.872 143 HG11 VAL 20 1HG1 VAL 20 0.020 9.661 9.809 144 HG12 VAL 20 2HG1 VAL 20 0.239 8.547 8.438 145 HG13 VAL 20 3HG1 VAL 20 1.502 9.740 8.825 146 HG21 VAL 20 1HG2 VAL 20 -0.482 10.869 5.753 147 HG22 VAL 20 2HG2 VAL 20 0.648 9.564 6.188 148 HG23 VAL 20 3HG2 VAL 20 -1.107 9.313 6.349 149 H GLN 21 H GLN 21 -1.365 13.416 7.686 150 HA GLN 21 HA GLN 21 -3.827 13.455 6.203 151 HB2 GLN 21 1HB GLN 21 -1.809 15.611 6.947 152 HB3 GLN 21 2HB GLN 21 -3.205 15.931 5.936 153 HG2 GLN 21 1HG GLN 21 -4.741 15.543 7.684 154 HG3 GLN 21 2HG GLN 21 -3.630 14.525 8.579 155 HE21 GLN 21 1HE2 GLN 21 -4.614 17.760 7.803 156 HE22 GLN 21 2HE2 GLN 21 -3.698 18.605 9.006 157 H TYR 22 H TYR 22 -3.839 14.523 3.966 158 HA TYR 22 HA TYR 22 -1.471 13.602 2.482 159 HB2 TYR 22 1HB TYR 22 -3.968 12.625 2.298 160 HB3 TYR 22 2HB TYR 22 -4.305 14.110 1.433 161 HD1 TYR 22 1HD TYR 22 -1.142 13.814 0.424 162 HD2 TYR 22 2HD TYR 22 -4.779 11.585 0.095 163 HE1 TYR 22 1HE TYR 22 -0.303 12.750 -1.727 164 HE2 TYR 22 2HE TYR 22 -3.927 10.528 -2.055 165 HH TYR 22 HH TYR 22 -1.791 11.650 -3.890 166 H LEU 23 H LEU 23 -0.211 15.418 2.201 167 HA LEU 23 HA LEU 23 -1.291 17.996 1.924 168 HB2 LEU 23 1HB LEU 23 1.384 16.718 1.597 169 HB3 LEU 23 2HB LEU 23 1.143 18.319 0.928 170 HG LEU 23 HG LEU 23 0.117 18.615 3.463 171 HD11 LEU 23 1HD1 LEU 23 2.020 16.360 3.489 172 HD12 LEU 23 2HD1 LEU 23 2.330 17.632 4.695 173 HD13 LEU 23 3HD1 LEU 23 0.750 16.814 4.649 174 HD21 LEU 23 1HD2 LEU 23 2.506 19.415 1.984 175 HD22 LEU 23 2HD2 LEU 23 1.442 20.360 3.053 176 HD23 LEU 23 3HD2 LEU 23 2.756 19.380 3.745 177 H GLY 24 H GLY 24 -0.127 15.533 -0.450 178 HA2 GLY 24 1HA GLY 24 -1.772 15.640 -2.431 179 HA3 GLY 24 2HA GLY 24 -1.110 17.250 -2.628 180 H MET 25 H MET 25 -0.799 15.521 -4.735 181 HA MET 25 HA MET 25 1.844 14.373 -4.429 182 HB2 MET 25 1HB MET 25 -0.241 13.195 -5.514 183 HB3 MET 25 2HB MET 25 0.024 14.254 -6.885 184 HG2 MET 25 1HG MET 25 2.294 12.561 -5.773 185 HG3 MET 25 2HG MET 25 1.143 11.881 -6.907 186 HE1 MET 25 1HE MET 25 1.649 13.266 -10.135 187 HE2 MET 25 2HE MET 25 0.443 12.823 -8.903 188 HE3 MET 25 3HE MET 25 0.759 14.537 -9.264 189 H LEU 26 H LEU 26 3.663 15.132 -5.527 190 HA LEU 26 HA LEU 26 3.225 17.291 -7.448 191 HB2 LEU 26 1HB LEU 26 3.660 18.178 -5.124 192 HB3 LEU 26 2HB LEU 26 5.255 17.459 -5.224 193 HG LEU 26 HG LEU 26 4.561 19.196 -7.508 194 HD11 LEU 26 1HD1 LEU 26 4.359 21.217 -6.483 195 HD12 LEU 26 2HD1 LEU 26 3.571 20.202 -5.251 196 HD13 LEU 26 3HD1 LEU 26 5.264 20.707 -5.038 197 HD21 LEU 26 1HD2 LEU 26 6.961 19.282 -5.672 198 HD22 LEU 26 2HD2 LEU 26 6.799 18.125 -7.015 199 HD23 LEU 26 3HD2 LEU 26 6.823 19.874 -7.345 200 HA PRO 27 HA PRO 27 6.086 14.773 -9.535 201 HB2 PRO 27 1HB PRO 27 6.240 16.214 -11.851 202 HB3 PRO 27 2HB PRO 27 4.975 15.043 -11.534 203 HG2 PRO 27 1HG PRO 27 4.822 17.995 -11.484 204 HG3 PRO 27 2HG PRO 27 3.518 16.830 -11.592 205 HD2 PRO 27 1HD PRO 27 4.303 18.317 -9.268 206 HD3 PRO 27 2HD PRO 27 3.076 17.068 -9.348 207 H VAL 28 H VAL 28 8.282 14.557 -9.964 208 HA VAL 28 HA VAL 28 9.781 17.044 -9.741 209 HB VAL 28 HB VAL 28 11.169 16.253 -7.988 210 HG11 VAL 28 1HG1 VAL 28 8.767 17.155 -7.501 211 HG12 VAL 28 2HG1 VAL 28 8.445 15.491 -6.956 212 HG13 VAL 28 3HG1 VAL 28 9.726 16.452 -6.177 213 HG21 VAL 28 1HG2 VAL 28 9.570 13.680 -7.866 214 HG22 VAL 28 2HG2 VAL 28 11.120 13.839 -8.727 215 HG23 VAL 28 3HG2 VAL 28 11.050 14.094 -6.967 216 H ASP 29 H ASP 29 11.848 16.945 -10.755 217 HA ASP 29 HA ASP 29 11.931 15.058 -12.836 218 HB2 ASP 29 1HB ASP 29 13.015 17.569 -12.357 219 HB3 ASP 29 2HB ASP 29 14.429 16.546 -12.196 220 H ARG 30 H ARG 30 14.132 15.840 -10.029 221 HA ARG 30 HA ARG 30 15.710 13.570 -10.443 222 HB2 ARG 30 1HB ARG 30 15.531 15.800 -8.504 223 HB3 ARG 30 2HB ARG 30 16.067 14.309 -7.755 224 HG2 ARG 30 1HG ARG 30 17.337 14.998 -10.385 225 HG3 ARG 30 2HG ARG 30 17.755 16.031 -9.031 226 HD2 ARG 30 1HD ARG 30 17.819 13.218 -8.217 227 HD3 ARG 30 2HD ARG 30 18.830 13.466 -9.627 228 HE ARG 30 HE ARG 30 19.396 14.382 -6.958 229 HH11 ARG 30 2HH2 ARG 30 19.697 15.382 -10.318 230 HH12 ARG 30 1HH2 ARG 30 21.066 16.402 -10.026 231 HH21 ARG 30 2HH1 ARG 30 21.202 15.727 -6.571 232 HH22 ARG 30 1HH1 ARG 30 21.928 16.599 -7.880 233 HA PRO 31 HA PRO 31 12.938 10.806 -8.416 234 HB2 PRO 31 1HB PRO 31 14.297 8.493 -8.941 235 HB3 PRO 31 2HB PRO 31 13.161 9.214 -10.064 236 HG2 PRO 31 1HG PRO 31 16.115 9.194 -10.173 237 HG3 PRO 31 2HG PRO 31 14.971 9.519 -11.460 238 HD2 PRO 31 1HD PRO 31 16.522 11.450 -10.014 239 HD3 PRO 31 2HD PRO 31 15.295 11.782 -11.220 240 H VAL 32 H VAL 32 16.084 11.593 -7.591 241 HA VAL 32 HA VAL 32 15.576 10.501 -4.931 242 HB VAL 32 HB VAL 32 17.969 9.806 -4.821 243 HG11 VAL 32 1HG1 VAL 32 17.209 7.739 -5.183 244 HG12 VAL 32 2HG1 VAL 32 15.742 8.456 -5.895 245 HG13 VAL 32 3HG1 VAL 32 17.119 8.025 -6.938 246 HG21 VAL 32 1HG2 VAL 32 18.562 11.228 -6.901 247 HG22 VAL 32 2HG2 VAL 32 19.345 9.642 -6.707 248 HG23 VAL 32 3HG2 VAL 32 17.984 9.830 -7.839 249 H GLY 33 H GLY 33 17.453 11.450 -3.409 250 HA2 GLY 33 1HA GLY 33 18.874 13.293 -2.993 251 HA3 GLY 33 2HA GLY 33 18.061 14.207 -4.248 252 H MET 34 H MET 34 18.527 14.877 -1.355 253 HA MET 34 HA MET 34 15.884 14.720 -0.239 254 HB2 MET 34 1HB MET 34 18.643 15.571 0.659 255 HB3 MET 34 2HB MET 34 17.284 16.274 1.515 256 HG2 MET 34 1HG MET 34 16.608 13.546 1.345 257 HG3 MET 34 2HG MET 34 18.338 13.520 1.625 258 HE1 MET 34 1HE MET 34 15.174 13.418 2.776 259 HE2 MET 34 2HE MET 34 15.298 13.551 4.547 260 HE3 MET 34 3HE MET 34 14.833 14.970 3.578 261 H ASP 35 H ASP 35 18.082 17.093 -1.764 262 HA ASP 35 HA ASP 35 16.975 19.420 -1.023 263 HB2 ASP 35 1HB ASP 35 18.803 18.633 -2.906 264 HB3 ASP 35 2HB ASP 35 17.490 19.117 -3.960 265 H THR 36 H THR 36 16.144 17.667 -4.120 266 HA THR 36 HA THR 36 13.902 19.131 -4.761 267 HB THR 36 HB THR 36 14.713 16.228 -5.283 268 HG1 THR 36 1HG THR 36 15.654 17.275 -7.066 269 HG21 THR 36 1HG2 THR 36 12.158 17.365 -5.781 270 HG22 THR 36 2HG2 THR 36 13.044 17.528 -7.316 271 HG23 THR 36 3HG2 THR 36 12.845 15.925 -6.569 272 H LEU 37 H LEU 37 14.118 16.149 -2.729 273 HA LEU 37 HA LEU 37 11.485 15.675 -2.334 274 HB2 LEU 37 1HB LEU 37 13.362 14.333 -1.490 275 HB3 LEU 37 2HB LEU 37 13.692 15.550 -0.273 276 HG LEU 37 HG LEU 37 11.075 15.032 0.264 277 HD11 LEU 37 1HD1 LEU 37 10.363 13.187 -0.746 278 HD12 LEU 37 2HD1 LEU 37 11.984 12.841 -1.395 279 HD13 LEU 37 3HD1 LEU 37 11.536 12.271 0.231 280 HD21 LEU 37 1HD2 LEU 37 13.677 14.240 1.369 281 HD22 LEU 37 2HD2 LEU 37 12.243 14.928 2.169 282 HD23 LEU 37 3HD2 LEU 37 12.331 13.179 1.848 283 H ASN 38 H ASN 38 13.455 17.691 -0.034 284 HA ASN 38 HA ASN 38 11.385 18.665 1.380 285 HB2 ASN 38 1HB ASN 38 14.074 19.846 0.598 286 HB3 ASN 38 2HB ASN 38 12.967 20.806 1.559 287 HD21 ASN 38 1HD2 ASN 38 15.376 18.496 1.586 288 HD22 ASN 38 2HD2 ASN 38 15.239 17.915 3.212 289 H SER 39 H SER 39 13.032 20.248 -1.469 290 HA SER 39 HA SER 39 11.631 22.471 -1.731 291 HB2 SER 39 1HB SER 39 13.014 20.647 -3.568 292 HB3 SER 39 2HB SER 39 11.727 21.514 -4.381 293 HG SER 39 HG SER 39 12.868 23.325 -4.286 294 H ALA 40 H ALA 40 10.569 19.192 -2.848 295 HA ALA 40 HA ALA 40 8.199 19.976 -4.056 296 HB1 ALA 40 1HB ALA 40 9.421 17.720 -4.093 297 HB2 ALA 40 2HB ALA 40 8.632 17.386 -2.533 298 HB3 ALA 40 3HB ALA 40 7.645 17.660 -3.989 299 H ILE 41 H ILE 41 8.729 18.698 -0.689 300 HA ILE 41 HA ILE 41 6.151 19.028 0.193 301 HB ILE 41 HB ILE 41 8.763 19.249 1.690 302 HG12 ILE 41 1HG1 ILE 41 6.909 16.869 1.477 303 HG13 ILE 41 2HG1 ILE 41 8.240 17.129 0.368 304 HG21 ILE 41 1HG2 ILE 41 6.621 18.281 3.315 305 HG22 ILE 41 2HG2 ILE 41 7.643 19.721 3.542 306 HG23 ILE 41 3HG2 ILE 41 6.138 19.838 2.599 307 HD11 ILE 41 1HD1 ILE 41 9.853 17.145 2.238 308 HD12 ILE 41 2HD1 ILE 41 8.519 16.980 3.406 309 HD13 ILE 41 3HD1 ILE 41 8.883 15.653 2.276 310 H GLU 42 H GLU 42 8.895 21.328 0.847 311 HA GLU 42 HA GLU 42 7.563 23.314 1.959 312 HB2 GLU 42 1HB GLU 42 9.830 23.318 -0.037 313 HB3 GLU 42 2HB GLU 42 9.187 24.851 0.517 314 HG2 GLU 42 1HG GLU 42 9.485 23.948 2.925 315 HG3 GLU 42 2HG GLU 42 10.405 22.634 2.218 316 H ASN 43 H ASN 43 7.493 22.453 -1.519 317 HA ASN 43 HA ASN 43 6.286 24.731 -2.455 318 HB2 ASN 43 1HB ASN 43 7.084 22.292 -3.525 319 HB3 ASN 43 2HB ASN 43 5.342 22.164 -3.660 320 HD21 ASN 43 1HD2 ASN 43 6.835 22.209 -5.896 321 HD22 ASN 43 2HD2 ASN 43 6.640 23.689 -6.773 322 H LEU 44 H LEU 44 4.726 21.494 -1.788 323 HA LEU 44 HA LEU 44 2.121 22.290 -1.983 324 HB2 LEU 44 1HB LEU 44 3.557 20.110 -0.544 325 HB3 LEU 44 2HB LEU 44 1.863 20.366 -0.177 326 HG LEU 44 HG LEU 44 2.869 19.978 -3.003 327 HD11 LEU 44 1HD1 LEU 44 1.542 17.644 -2.002 328 HD12 LEU 44 2HD1 LEU 44 3.184 17.810 -2.671 329 HD13 LEU 44 3HD1 LEU 44 2.904 18.048 -0.929 330 HD21 LEU 44 1HD2 LEU 44 0.161 20.015 -1.691 331 HD22 LEU 44 2HD2 LEU 44 0.738 20.899 -3.123 332 HD23 LEU 44 3HD2 LEU 44 0.430 19.149 -3.222 333 H MET 45 H MET 45 4.154 22.163 1.025 334 HA MET 45 HA MET 45 2.431 22.957 2.854 335 HB2 MET 45 1HB MET 45 5.327 23.441 2.315 336 HB3 MET 45 2HB MET 45 4.630 24.593 3.436 337 HG2 MET 45 1HG MET 45 3.656 21.979 4.170 338 HG3 MET 45 2HG MET 45 5.387 21.847 3.932 339 HE1 MET 45 1HE MET 45 4.694 22.321 7.840 340 HE2 MET 45 2HE MET 45 3.484 21.688 6.698 341 HE3 MET 45 3HE MET 45 5.182 21.167 6.576 342 H THR 46 H THR 46 4.394 25.394 0.983 343 HA THR 46 HA THR 46 2.600 27.495 1.789 344 HB THR 46 HB THR 46 5.075 27.802 1.578 345 HG1 THR 46 1HG THR 46 3.435 29.524 1.092 346 HG21 THR 46 1HG2 THR 46 5.254 28.161 -1.262 347 HG22 THR 46 2HG2 THR 46 6.175 27.013 -0.261 348 HG23 THR 46 3HG2 THR 46 4.631 26.516 -0.994 349 H SER 47 H SER 47 0.836 25.874 0.756 350 HA SER 47 HA SER 47 0.081 27.275 -1.617 351 HB2 SER 47 1HB SER 47 1.504 25.167 -2.265 352 HB3 SER 47 2HB SER 47 0.095 24.245 -1.779 353 HG SER 47 HG SER 47 0.433 25.156 -4.152 354 H SER 48 H SER 48 -0.672 24.222 0.232 355 HA SER 48 HA SER 48 -3.412 25.197 0.388 356 HB2 SER 48 1HB SER 48 -2.183 22.453 0.236 357 HB3 SER 48 2HB SER 48 -3.684 22.621 1.124 358 HG SER 48 HG SER 48 -3.572 22.242 -1.414 359 H SER 49 H SER 49 -4.593 24.640 2.486 360 HA SER 49 HA SER 49 -2.956 25.459 4.641 361 HB2 SER 49 1HB SER 49 -5.838 24.468 4.726 362 HB3 SER 49 2HB SER 49 -5.035 25.445 5.939 363 HG SER 49 HG SER 49 -6.257 26.224 3.574 364 H LYS 50 H LYS 50 -3.051 24.233 6.829 365 HA LYS 50 HA LYS 50 -2.038 21.634 6.408 366 HB2 LYS 50 1HB LYS 50 -1.059 22.634 8.218 367 HB3 LYS 50 2HB LYS 50 -2.530 23.437 8.729 368 HG2 LYS 50 1HG LYS 50 -3.376 21.512 9.809 369 HG3 LYS 50 2HG LYS 50 -2.403 20.416 8.849 370 HD2 LYS 50 1HD LYS 50 -0.351 21.141 10.015 371 HD3 LYS 50 2HD LYS 50 -1.244 22.363 10.898 372 HE2 LYS 50 1HE LYS 50 -2.246 19.534 11.111 373 HE3 LYS 50 2HE LYS 50 -0.735 19.900 11.919 374 HZ1 LYS 50 1HZ LYS 50 -2.372 20.391 13.450 375 HZ2 LYS 50 2HZ LYS 50 -1.982 21.864 12.864 376 HZ3 LYS 50 3HZ LYS 50 -3.351 21.124 12.368 377 H GLU 51 H GLU 51 -5.098 22.880 7.911 378 HA GLU 51 HA GLU 51 -6.123 20.335 8.359 379 HB2 GLU 51 1HB GLU 51 -7.537 23.016 8.023 380 HB3 GLU 51 2HB GLU 51 -8.318 21.563 8.615 381 HG2 GLU 51 1HG GLU 51 -7.320 21.705 10.679 382 HG3 GLU 51 2HG GLU 51 -5.775 22.196 10.014 383 H ASP 52 H ASP 52 -5.962 22.400 5.502 384 HA ASP 52 HA ASP 52 -8.103 21.460 4.091 385 HB2 ASP 52 1HB ASP 52 -5.533 22.792 3.525 386 HB3 ASP 52 2HB ASP 52 -6.040 21.769 2.196 387 H TRP 53 H TRP 53 -5.199 19.857 5.148 388 HA TRP 53 HA TRP 53 -5.130 17.922 3.018 389 HB2 TRP 53 1HB TRP 53 -3.684 17.845 5.665 390 HB3 TRP 53 2HB TRP 53 -3.297 16.957 4.205 391 HD1 TRP 53 HD TRP 53 -3.476 19.510 2.159 392 HE1 TRP 53 1HE TRP 53 -1.574 21.339 2.101 393 HE3 TRP 53 3HE TRP 53 -1.661 18.524 6.806 394 HZ2 TRP 53 2HZ TRP 53 0.430 22.149 3.964 395 HZ3 TRP 53 3HZ TRP 53 0.270 19.880 7.610 396 HH2 TRP 53 HH TRP 53 1.311 21.640 6.271 397 HA PRO 54 HA PRO 54 -8.163 15.466 4.990 398 HB2 PRO 54 1HB PRO 54 -8.176 13.382 3.223 399 HB3 PRO 54 2HB PRO 54 -9.092 14.855 2.974 400 HG2 PRO 54 1HG PRO 54 -6.594 13.981 1.657 401 HG3 PRO 54 2HG PRO 54 -7.735 15.207 1.143 402 HD2 PRO 54 1HD PRO 54 -5.180 15.648 2.368 403 HD3 PRO 54 2HD PRO 54 -6.371 16.867 1.959 404 H SER 55 H SER 55 -8.296 13.962 6.591 405 HA SER 55 HA SER 55 -5.771 12.940 7.352 406 HB2 SER 55 1HB SER 55 -8.307 11.937 8.616 407 HB3 SER 55 2HB SER 55 -6.796 12.401 9.374 408 HG SER 55 HG SER 55 -9.017 13.882 9.133 409 H VAL 56 H VAL 56 -4.928 11.295 6.082 410 HA VAL 56 HA VAL 56 -6.753 9.083 5.444 411 HB VAL 56 HB VAL 56 -5.357 8.621 3.557 412 HG11 VAL 56 1HG1 VAL 56 -6.009 10.373 2.189 413 HG12 VAL 56 2HG1 VAL 56 -7.078 10.601 3.594 414 HG13 VAL 56 3HG1 VAL 56 -5.624 11.612 3.408 415 HG21 VAL 56 1HG2 VAL 56 -3.259 9.552 4.911 416 HG22 VAL 56 2HG2 VAL 56 -3.276 9.479 3.132 417 HG23 VAL 56 3HG2 VAL 56 -3.615 11.016 3.964 418 H ASN 57 H ASN 57 -5.430 6.914 5.209 419 HA ASN 57 HA ASN 57 -3.703 6.807 7.556 420 HB2 ASN 57 1HB ASN 57 -5.701 4.824 6.389 421 HB3 ASN 57 2HB ASN 57 -4.422 4.267 7.449 422 HD21 ASN 57 1HD2 ASN 57 -7.534 5.066 7.391 423 HD22 ASN 57 2HD2 ASN 57 -7.792 5.675 8.991 424 H MET 58 H MET 58 -1.657 5.776 7.280 425 HA MET 58 HA MET 58 -1.044 5.089 4.528 426 HB2 MET 58 1HB MET 58 0.293 6.813 5.959 427 HB3 MET 58 2HB MET 58 0.886 5.445 6.879 428 HG2 MET 58 1HG MET 58 2.576 5.528 5.298 429 HG3 MET 58 2HG MET 58 1.464 4.506 4.410 430 HE1 MET 58 1HE MET 58 3.544 7.558 4.407 431 HE2 MET 58 2HE MET 58 2.636 8.817 3.536 432 HE3 MET 58 3HE MET 58 2.147 8.345 5.181 433 H ASN 59 H ASN 59 -1.325 2.940 4.069 434 HA ASN 59 HA ASN 59 -1.012 1.033 6.170 435 HB2 ASN 59 1HB ASN 59 -2.813 0.762 4.477 436 HB3 ASN 59 2HB ASN 59 -1.629 0.728 3.185 437 HD21 ASN 59 1HD2 ASN 59 -3.657 -1.178 4.602 438 HD22 ASN 59 2HD2 ASN 59 -2.805 -2.682 4.714 439 H VAL 60 H VAL 60 0.741 -0.463 6.345 440 HA VAL 60 HA VAL 60 2.760 -0.364 4.230 441 HB VAL 60 HB VAL 60 3.211 0.042 7.191 442 HG11 VAL 60 1HG1 VAL 60 5.568 -0.070 6.812 443 HG12 VAL 60 2HG1 VAL 60 4.856 -1.543 6.113 444 HG13 VAL 60 3HG1 VAL 60 5.345 -0.201 5.051 445 HG21 VAL 60 1HG2 VAL 60 4.074 2.184 6.621 446 HG22 VAL 60 2HG2 VAL 60 4.072 1.805 4.882 447 HG23 VAL 60 3HG2 VAL 60 2.532 2.019 5.749 448 H ALA 61 H ALA 61 2.807 -2.409 3.452 449 HA ALA 61 HA ALA 61 3.456 -4.551 5.184 450 HB1 ALA 61 1HB ALA 61 1.186 -4.663 5.825 451 HB2 ALA 61 2HB ALA 61 0.609 -4.272 4.187 452 HB3 ALA 61 3HB ALA 61 1.322 -5.868 4.522 453 H ASP 62 H ASP 62 3.501 -6.678 3.840 454 HA ASP 62 HA ASP 62 4.539 -7.637 2.170 455 HB2 ASP 62 1HB ASP 62 2.025 -7.222 1.438 456 HB3 ASP 62 2HB ASP 62 2.724 -6.108 0.280 457 H ALA 63 H ALA 63 5.804 -5.139 2.946 458 HA ALA 63 HA ALA 63 7.198 -3.556 2.258 459 HB1 ALA 63 1HB ALA 63 7.922 -4.867 -0.282 460 HB2 ALA 63 2HB ALA 63 8.927 -4.498 1.141 461 HB3 ALA 63 3HB ALA 63 7.925 -5.969 1.116 462 H THR 64 H THR 64 4.674 -2.737 1.776 463 HA THR 64 HA THR 64 4.997 -1.255 -0.710 464 HB THR 64 HB THR 64 2.586 -3.016 -0.024 465 HG1 THR 64 1HG THR 64 4.677 -2.844 -2.071 466 HG21 THR 64 1HG2 THR 64 1.546 -2.194 -2.028 467 HG22 THR 64 2HG2 THR 64 2.095 -0.727 -1.184 468 HG23 THR 64 3HG2 THR 64 3.034 -1.370 -2.552 469 H VAL 65 H VAL 65 3.683 0.685 -0.811 470 HA VAL 65 HA VAL 65 2.791 1.491 1.872 471 HB VAL 65 HB VAL 65 4.501 2.849 -0.171 472 HG11 VAL 65 1HG1 VAL 65 2.590 4.235 1.725 473 HG12 VAL 65 2HG1 VAL 65 4.045 5.025 1.074 474 HG13 VAL 65 3HG1 VAL 65 2.768 4.463 -0.031 475 HG21 VAL 65 1HG2 VAL 65 5.127 3.648 2.455 476 HG22 VAL 65 2HG2 VAL 65 4.738 1.914 2.558 477 HG23 VAL 65 3HG2 VAL 65 6.002 2.478 1.438 478 H THR 66 H THR 66 0.588 1.266 1.734 479 HA THR 66 HA THR 66 -0.689 2.487 -0.624 480 HB THR 66 HB THR 66 -1.629 0.248 1.247 481 HG1 THR 66 1HG THR 66 -0.809 0.417 -1.568 482 HG21 THR 66 1HG2 THR 66 -2.841 0.678 -1.450 483 HG22 THR 66 2HG2 THR 66 -3.622 0.192 0.074 484 HG23 THR 66 3HG2 THR 66 -3.268 1.908 -0.236 485 H VAL 67 H VAL 67 -2.073 4.160 -0.380 486 HA VAL 67 HA VAL 67 -2.373 5.128 2.359 487 HB VAL 67 HB VAL 67 -2.772 6.460 -0.328 488 HG11 VAL 67 1HG1 VAL 67 -3.311 7.351 2.476 489 HG12 VAL 67 2HG1 VAL 67 -2.628 8.535 1.336 490 HG13 VAL 67 3HG1 VAL 67 -4.173 7.731 0.965 491 HG21 VAL 67 1HG2 VAL 67 -0.396 5.816 0.887 492 HG22 VAL 67 2HG2 VAL 67 -0.633 7.159 -0.257 493 HG23 VAL 67 3HG2 VAL 67 -0.687 7.463 1.496 494 H ILE 68 H ILE 68 -4.127 4.193 3.327 495 HA ILE 68 HA ILE 68 -6.525 3.839 1.706 496 HB ILE 68 HB ILE 68 -5.831 2.847 4.474 497 HG12 ILE 68 1HG1 ILE 68 -5.582 1.613 1.735 498 HG13 ILE 68 2HG1 ILE 68 -4.382 1.721 3.007 499 HG21 ILE 68 1HG2 ILE 68 -8.348 3.137 3.290 500 HG22 ILE 68 2HG2 ILE 68 -7.935 1.417 3.088 501 HG23 ILE 68 3HG2 ILE 68 -7.926 2.150 4.710 502 HD11 ILE 68 1HD1 ILE 68 -6.166 0.295 4.391 503 HD12 ILE 68 2HD1 ILE 68 -6.732 -0.151 2.764 504 HD13 ILE 68 3HD1 ILE 68 -5.055 -0.499 3.249 505 H SER 69 H SER 69 -8.520 4.814 2.224 506 HA SER 69 HA SER 69 -8.283 7.369 3.297 507 HB2 SER 69 1HB SER 69 -9.974 6.875 1.626 508 HB3 SER 69 2HB SER 69 -10.699 5.638 2.634 509 HG SER 69 HG SER 69 -11.145 8.362 2.619 510 H GLU 70 H GLU 70 -9.974 8.124 5.105 511 HA GLU 70 HA GLU 70 -9.431 6.393 7.363 512 HB2 GLU 70 1HB GLU 70 -8.689 8.519 7.944 513 HB3 GLU 70 2HB GLU 70 -9.914 9.333 6.992 514 HG2 GLU 70 1HG GLU 70 -11.656 8.726 8.644 515 HG3 GLU 70 2HG GLU 70 -10.493 7.797 9.568 516 H LYS 71 H LYS 71 -12.117 8.222 5.765 517 HA LYS 71 HA LYS 71 -14.129 7.416 7.506 518 HB2 LYS 71 1HB LYS 71 -15.649 8.039 5.643 519 HB3 LYS 71 2HB LYS 71 -14.451 9.263 6.011 520 HG2 LYS 71 1HG LYS 71 -13.959 9.232 3.787 521 HG3 LYS 71 2HG LYS 71 -13.120 7.729 4.114 522 HD2 LYS 71 1HD LYS 71 -15.392 6.542 3.754 523 HD3 LYS 71 2HD LYS 71 -15.986 8.070 3.135 524 HE2 LYS 71 1HE LYS 71 -13.402 6.969 2.014 525 HE3 LYS 71 2HE LYS 71 -14.912 6.244 1.498 526 HZ1 LYS 71 1HZ LYS 71 -14.429 9.137 1.406 527 HZ2 LYS 71 2HZ LYS 71 -14.132 8.142 0.146 528 HZ3 LYS 71 3HZ LYS 71 -15.655 8.314 0.708 529 H ASN 72 H ASN 72 -12.610 5.819 4.685 530 HA ASN 72 HA ASN 72 -14.256 3.501 5.337 531 HB2 ASN 72 1HB ASN 72 -13.548 4.768 2.717 532 HB3 ASN 72 2HB ASN 72 -13.407 3.022 2.744 533 HD21 ASN 72 1HD2 ASN 72 -15.186 3.838 1.080 534 HD22 ASN 72 2HD2 ASN 72 -16.818 3.678 1.638 535 H GLU 73 H GLU 73 -12.934 1.928 6.260 536 HA GLU 73 HA GLU 73 -10.111 2.128 5.891 537 HB2 GLU 73 1HB GLU 73 -11.932 0.371 7.562 538 HB3 GLU 73 2HB GLU 73 -10.226 -0.005 7.417 539 HG2 GLU 73 1HG GLU 73 -9.687 1.610 8.914 540 HG3 GLU 73 2HG GLU 73 -10.497 2.831 7.952 541 H GLU 74 H GLU 74 -10.980 1.732 3.389 542 HA GLU 74 HA GLU 74 -9.942 -0.852 2.814 543 HB2 GLU 74 1HB GLU 74 -11.956 -1.463 1.349 544 HB3 GLU 74 2HB GLU 74 -12.181 -1.626 3.079 545 HG2 GLU 74 1HG GLU 74 -12.995 0.952 2.804 546 HG3 GLU 74 2HG GLU 74 -13.364 0.388 1.187 547 H GLU 75 H GLU 75 -11.624 2.123 1.651 548 HA GLU 75 HA GLU 75 -10.911 1.994 -0.970 549 HB2 GLU 75 1HB GLU 75 -12.322 3.743 0.475 550 HB3 GLU 75 2HB GLU 75 -10.824 4.651 0.456 551 HG2 GLU 75 1HG GLU 75 -10.782 4.671 -1.990 552 HG3 GLU 75 2HG GLU 75 -12.130 3.555 -2.075 553 H VAL 76 H VAL 76 -8.965 1.916 -2.001 554 HA VAL 76 HA VAL 76 -6.615 2.730 -0.482 555 HB VAL 76 HB VAL 76 -7.052 1.071 -2.965 556 HG11 VAL 76 1HG1 VAL 76 -5.040 2.152 -3.486 557 HG12 VAL 76 2HG1 VAL 76 -4.494 2.165 -1.792 558 HG13 VAL 76 3HG1 VAL 76 -4.515 0.639 -2.708 559 HG21 VAL 76 1HG2 VAL 76 -7.472 0.157 -0.592 560 HG22 VAL 76 2HG2 VAL 76 -6.410 -0.782 -1.669 561 HG23 VAL 76 3HG2 VAL 76 -5.705 0.238 -0.391 562 H LEU 77 H LEU 77 -6.625 4.992 -0.604 563 HA LEU 77 HA LEU 77 -7.276 6.445 -2.872 564 HB2 LEU 77 1HB LEU 77 -5.441 7.098 -0.564 565 HB3 LEU 77 2HB LEU 77 -5.969 8.260 -1.765 566 HG LEU 77 HG LEU 77 -8.146 6.768 -0.419 567 HD11 LEU 77 1HD1 LEU 77 -6.871 6.967 1.540 568 HD12 LEU 77 2HD1 LEU 77 -6.279 8.587 1.100 569 HD13 LEU 77 3HD1 LEU 77 -7.979 8.359 1.574 570 HD21 LEU 77 1HD2 LEU 77 -7.667 9.684 -1.088 571 HD22 LEU 77 2HD2 LEU 77 -8.662 8.520 -1.996 572 HD23 LEU 77 3HD2 LEU 77 -9.155 9.030 -0.363 573 H VAL 78 H VAL 78 -3.962 5.616 -1.617 574 HA VAL 78 HA VAL 78 -3.093 5.592 -4.419 575 HB VAL 78 HB VAL 78 -1.989 7.093 -2.079 576 HG11 VAL 78 1HG1 VAL 78 -0.171 5.570 -2.786 577 HG12 VAL 78 2HG1 VAL 78 -0.316 6.191 -4.448 578 HG13 VAL 78 3HG1 VAL 78 0.200 7.275 -3.134 579 HG21 VAL 78 1HG2 VAL 78 -1.958 7.873 -4.996 580 HG22 VAL 78 2HG2 VAL 78 -3.416 8.069 -3.994 581 HG23 VAL 78 3HG2 VAL 78 -1.914 8.916 -3.555 582 H GLU 79 H GLU 79 -1.423 4.067 -4.904 583 HA GLU 79 HA GLU 79 -0.831 2.258 -2.703 584 HB2 GLU 79 1HB GLU 79 -2.627 1.229 -4.031 585 HB3 GLU 79 2HB GLU 79 -1.722 1.470 -5.511 586 HG2 GLU 79 1HG GLU 79 0.149 0.097 -4.070 587 HG3 GLU 79 2HG GLU 79 -1.304 -0.549 -3.334 588 H CYS 80 H CYS 80 1.333 2.717 -2.405 589 HA CYS 80 HA CYS 80 2.974 2.812 -4.825 590 HB2 CYS 80 1HB CYS 80 2.853 4.733 -2.971 591 HB3 CYS 80 2HB CYS 80 4.040 3.716 -2.179 592 HG CYS 80 HG CYS 80 5.920 4.313 -3.484 593 H ARG 81 H ARG 81 4.990 1.559 -4.808 594 HA ARG 81 HA ARG 81 4.950 -0.524 -2.774 595 HB2 ARG 81 1HB ARG 81 5.448 -0.719 -5.774 596 HB3 ARG 81 2HB ARG 81 6.033 -1.961 -4.685 597 HG2 ARG 81 1HG ARG 81 3.834 -2.590 -4.012 598 HG3 ARG 81 2HG ARG 81 3.130 -1.082 -4.562 599 HD2 ARG 81 1HD ARG 81 2.503 -2.369 -6.371 600 HD3 ARG 81 2HD ARG 81 4.110 -1.963 -6.942 601 HE ARG 81 HE ARG 81 4.765 -4.186 -6.611 602 HH11 ARG 81 2HH2 ARG 81 1.796 -3.584 -4.821 603 HH12 ARG 81 1HH2 ARG 81 1.573 -5.244 -4.382 604 HH21 ARG 81 2HH1 ARG 81 4.471 -6.377 -6.032 605 HH22 ARG 81 1HH1 ARG 81 3.105 -6.844 -5.075 606 H VAL 82 H VAL 82 6.966 -1.039 -1.828 607 HA VAL 82 HA VAL 82 8.984 0.875 -1.974 608 HB VAL 82 HB VAL 82 10.212 -0.601 -0.538 609 HG11 VAL 82 1HG1 VAL 82 7.386 0.002 -0.118 610 HG12 VAL 82 2HG1 VAL 82 7.927 -1.397 0.841 611 HG13 VAL 82 3HG1 VAL 82 8.768 0.165 0.992 612 HG21 VAL 82 1HG2 VAL 82 8.498 -2.702 -1.787 613 HG22 VAL 82 2HG2 VAL 82 10.214 -2.749 -1.316 614 HG23 VAL 82 3HG2 VAL 82 8.946 -2.914 -0.077 615 H ARG 83 H ARG 83 8.173 -1.781 -4.063 616 HA ARG 83 HA ARG 83 10.833 -2.150 -4.987 617 HB2 ARG 83 1HB ARG 83 9.880 -3.778 -6.493 618 HB3 ARG 83 2HB ARG 83 8.974 -3.920 -5.000 619 HG2 ARG 83 1HG ARG 83 7.117 -3.687 -6.303 620 HG3 ARG 83 2HG ARG 83 7.513 -1.980 -6.333 621 HD2 ARG 83 1HD ARG 83 8.381 -2.066 -8.497 622 HD3 ARG 83 2HD ARG 83 8.932 -3.722 -8.332 623 HE ARG 83 HE ARG 83 6.042 -3.606 -8.228 624 HH11 ARG 83 2HH2 ARG 83 8.754 -3.439 -10.465 625 HH12 ARG 83 1HH2 ARG 83 7.834 -3.998 -11.822 626 HH21 ARG 83 2HH1 ARG 83 4.828 -4.344 -10.018 627 HH22 ARG 83 1HH1 ARG 83 5.586 -4.516 -11.566 628 H PHE 84 H PHE 84 8.072 -0.081 -5.701 629 HA PHE 84 HA PHE 84 9.249 0.694 -8.259 630 HB2 PHE 84 1HB PHE 84 6.574 0.675 -6.897 631 HB3 PHE 84 2HB PHE 84 6.876 2.131 -7.824 632 HD1 PHE 84 1HD PHE 84 8.460 0.994 -10.085 633 HD2 PHE 84 2HD PHE 84 4.953 -0.427 -8.165 634 HE1 PHE 84 1HE PHE 84 7.795 -0.206 -12.187 635 HE2 PHE 84 2HE PHE 84 4.288 -1.627 -10.267 636 HZ PHE 84 HZ PHE 84 5.717 -1.502 -12.253 637 H LEU 85 H LEU 85 9.322 1.544 -4.967 638 HA LEU 85 HA LEU 85 9.169 4.346 -5.157 639 HB2 LEU 85 1HB LEU 85 9.550 2.364 -3.166 640 HB3 LEU 85 2HB LEU 85 10.887 3.488 -3.032 641 HG LEU 85 HG LEU 85 8.120 4.608 -3.247 642 HD11 LEU 85 1HD1 LEU 85 9.151 2.983 -0.965 643 HD12 LEU 85 2HD1 LEU 85 8.225 4.459 -0.601 644 HD13 LEU 85 3HD1 LEU 85 7.495 3.171 -1.589 645 HD21 LEU 85 1HD2 LEU 85 9.803 5.776 -1.232 646 HD22 LEU 85 2HD2 LEU 85 10.710 5.618 -2.756 647 HD23 LEU 85 3HD2 LEU 85 9.161 6.495 -2.729 648 H SER 86 H SER 86 11.044 5.861 -4.796 649 HA SER 86 HA SER 86 13.393 4.823 -6.178 650 HB2 SER 86 1HB SER 86 12.031 7.530 -6.496 651 HB3 SER 86 2HB SER 86 13.639 7.195 -7.106 652 HG SER 86 HG SER 86 11.720 6.889 -8.613 653 H PHE 87 H PHE 87 11.995 7.184 -3.840 654 HA PHE 87 HA PHE 87 14.073 6.854 -2.019 655 HB2 PHE 87 1HB PHE 87 15.200 8.193 -3.940 656 HB3 PHE 87 2HB PHE 87 14.071 9.491 -3.603 657 HD1 PHE 87 1HD PHE 87 17.021 7.696 -2.405 658 HD2 PHE 87 2HD PHE 87 14.288 10.839 -1.590 659 HE1 PHE 87 1HE PHE 87 18.587 8.609 -0.669 660 HE2 PHE 87 2HE PHE 87 15.855 11.752 0.146 661 HZ PHE 87 HZ PHE 87 17.986 10.625 0.586 662 H MET 88 H MET 88 13.987 8.751 -0.293 663 HA MET 88 HA MET 88 11.676 10.330 -0.280 664 HB2 MET 88 1HB MET 88 10.369 9.154 1.431 665 HB3 MET 88 2HB MET 88 10.689 8.011 0.142 666 HG2 MET 88 1HG MET 88 12.560 7.023 1.417 667 HG3 MET 88 2HG MET 88 12.392 8.237 2.670 668 HE1 MET 88 1HE MET 88 9.475 5.088 1.350 669 HE2 MET 88 2HE MET 88 11.064 5.540 0.686 670 HE3 MET 88 3HE MET 88 10.960 4.396 2.046 671 H GLY 89 H GLY 89 11.319 10.329 2.647 672 HA2 GLY 89 1HA GLY 89 13.356 10.387 4.327 673 HA3 GLY 89 2HA GLY 89 13.763 11.771 3.332 674 H VAL 90 H VAL 90 13.352 12.417 5.896 675 HA VAL 90 HA VAL 90 10.541 13.154 6.179 676 HB VAL 90 HB VAL 90 12.895 12.944 8.038 677 HG11 VAL 90 1HG1 VAL 90 11.234 13.796 9.818 678 HG12 VAL 90 2HG1 VAL 90 12.023 14.998 8.769 679 HG13 VAL 90 3HG1 VAL 90 10.342 14.506 8.451 680 HG21 VAL 90 1HG2 VAL 90 10.235 11.894 8.786 681 HG22 VAL 90 2HG2 VAL 90 10.963 11.142 7.346 682 HG23 VAL 90 3HG2 VAL 90 11.843 11.138 8.893 683 H GLY 91 H GLY 91 9.924 15.095 5.395 684 HA2 GLY 91 1HA GLY 91 11.575 17.019 4.343 685 HA3 GLY 91 2HA GLY 91 9.947 17.295 4.929 686 H LYS 92 H LYS 92 11.239 19.482 5.320 687 HA LYS 92 HA LYS 92 13.130 19.862 7.181 688 HB2 LYS 92 1HB LYS 92 10.662 21.449 6.496 689 HB3 LYS 92 2HB LYS 92 11.768 22.010 7.734 690 HG2 LYS 92 1HG LYS 92 12.855 21.150 5.037 691 HG3 LYS 92 2HG LYS 92 12.131 22.736 5.210 692 HD2 LYS 92 1HD LYS 92 13.701 23.092 7.230 693 HD3 LYS 92 2HD LYS 92 14.527 21.628 6.735 694 HE2 LYS 92 1HE LYS 92 14.344 23.077 4.342 695 HE3 LYS 92 2HE LYS 92 14.620 24.330 5.536 696 HZ1 LYS 92 1HZ LYS 92 16.287 21.974 5.024 697 HZ2 LYS 92 2HZ LYS 92 16.701 23.546 4.870 698 HZ3 LYS 92 3HZ LYS 92 16.473 22.904 6.354 699 H ASP 93 H ASP 93 9.633 20.160 8.111 700 HA ASP 93 HA ASP 93 10.201 19.868 10.802 701 HB2 ASP 93 1HB ASP 93 7.887 20.204 9.099 702 HB3 ASP 93 2HB ASP 93 7.531 18.927 10.246 703 H VAL 94 H VAL 94 9.239 17.983 12.198 704 HA VAL 94 HA VAL 94 10.135 15.493 11.026 705 HB VAL 94 HB VAL 94 9.981 14.652 13.293 706 HG11 VAL 94 1HG1 VAL 94 11.214 17.308 13.811 707 HG12 VAL 94 2HG1 VAL 94 11.885 15.670 14.003 708 HG13 VAL 94 3HG1 VAL 94 11.811 16.419 12.390 709 HG21 VAL 94 1HG2 VAL 94 8.370 17.119 13.710 710 HG22 VAL 94 2HG2 VAL 94 8.214 15.505 14.444 711 HG23 VAL 94 3HG2 VAL 94 9.454 16.637 15.037 712 H HIS 95 H HIS 95 7.232 17.287 11.313 713 HA HIS 95 HA HIS 95 5.602 14.881 11.394 714 HB2 HIS 95 1HB HIS 95 4.353 17.563 11.132 715 HB3 HIS 95 2HB HIS 95 3.871 16.182 12.098 716 HD1 HIS 95 1HD HIS 95 6.597 18.878 12.110 717 HD2 HIS 95 2HD HIS 95 4.461 16.428 14.762 718 HE1 HIS 95 1HE HIS 95 7.281 19.601 14.459 719 H THR 96 H THR 96 7.451 15.696 9.116 720 HA THR 96 HA THR 96 5.370 15.712 7.034 721 HB THR 96 HB THR 96 7.099 17.068 5.696 722 HG1 THR 96 1HG THR 96 8.575 18.156 7.423 723 HG21 THR 96 1HG2 THR 96 6.594 19.202 6.749 724 HG22 THR 96 2HG2 THR 96 5.159 18.175 6.984 725 HG23 THR 96 3HG2 THR 96 6.307 18.421 8.322 726 H PHE 97 H PHE 97 5.724 14.413 5.215 727 HA PHE 97 HA PHE 97 8.170 12.913 5.068 728 HB2 PHE 97 1HB PHE 97 6.804 11.661 6.760 729 HB3 PHE 97 2HB PHE 97 5.412 11.700 5.696 730 HD1 PHE 97 1HD PHE 97 8.996 10.650 5.426 731 HD2 PHE 97 2HD PHE 97 4.927 9.697 4.688 732 HE1 PHE 97 1HE PHE 97 9.690 8.451 4.436 733 HE2 PHE 97 2HE PHE 97 5.621 7.498 3.697 734 HZ PHE 97 HZ PHE 97 7.995 6.901 3.583 735 H ALA 98 H ALA 98 8.551 12.148 2.978 736 HA ALA 98 HA ALA 98 6.370 11.930 1.122 737 HB1 ALA 98 1HB ALA 98 7.156 14.450 1.360 738 HB2 ALA 98 2HB ALA 98 8.506 13.900 0.339 739 HB3 ALA 98 3HB ALA 98 6.831 13.750 -0.244 740 H PHE 99 H PHE 99 7.046 10.862 -0.862 741 HA PHE 99 HA PHE 99 9.819 10.015 -0.947 742 HB2 PHE 99 1HB PHE 99 9.069 7.621 -1.061 743 HB3 PHE 99 2HB PHE 99 8.573 8.338 0.459 744 HD1 PHE 99 1HD PHE 99 7.294 7.694 -2.983 745 HD2 PHE 99 2HD PHE 99 6.361 8.158 1.130 746 HE1 PHE 99 1HE PHE 99 4.917 7.036 -3.448 747 HE2 PHE 99 2HE PHE 99 3.983 7.501 0.665 748 HZ PHE 99 HZ PHE 99 3.290 6.948 -1.619 749 H ILE 100 H ILE 100 10.535 9.536 -3.044 750 HA ILE 100 HA ILE 100 8.669 10.301 -5.124 751 HB ILE 100 HB ILE 100 11.603 9.641 -5.353 752 HG12 ILE 100 1HG1 ILE 100 10.362 12.364 -4.863 753 HG13 ILE 100 2HG1 ILE 100 11.171 11.408 -3.638 754 HG21 ILE 100 1HG2 ILE 100 11.161 9.854 -7.526 755 HG22 ILE 100 2HG2 ILE 100 9.526 10.487 -7.217 756 HG23 ILE 100 3HG2 ILE 100 10.924 11.589 -7.205 757 HD11 ILE 100 1HD1 ILE 100 13.274 11.782 -4.521 758 HD12 ILE 100 2HD1 ILE 100 12.676 11.824 -6.197 759 HD13 ILE 100 3HD1 ILE 100 12.471 13.243 -5.143 760 H MET 101 H MET 101 7.520 8.857 -6.284 761 HA MET 101 HA MET 101 8.488 6.107 -6.203 762 HB2 MET 101 1HB MET 101 6.154 5.429 -6.388 763 HB3 MET 101 2HB MET 101 6.205 6.686 -5.168 764 HG2 MET 101 1HG MET 101 5.595 8.378 -6.968 765 HG3 MET 101 2HG MET 101 5.410 7.051 -8.097 766 HE1 MET 101 1HE MET 101 2.591 4.927 -6.489 767 HE2 MET 101 2HE MET 101 3.194 5.399 -8.096 768 HE3 MET 101 3HE MET 101 4.324 4.784 -6.866 769 H ASP 102 H ASP 102 7.938 4.760 -8.195 770 HA ASP 102 HA ASP 102 8.198 6.474 -10.540 771 HB2 ASP 102 1HB ASP 102 10.197 5.167 -10.318 772 HB3 ASP 102 2HB ASP 102 9.307 3.728 -9.862 773 H THR 103 H THR 103 6.443 6.349 -11.953 774 HA THR 103 HA THR 103 4.590 4.102 -11.586 775 HB THR 103 HB THR 103 2.981 5.686 -12.700 776 HG1 THR 103 1HG THR 103 3.913 7.474 -13.641 777 HG21 THR 103 1HG2 THR 103 4.422 6.303 -10.175 778 HG22 THR 103 2HG2 THR 103 3.685 7.731 -10.941 779 HG23 THR 103 3HG2 THR 103 2.674 6.331 -10.511 780 H GLY 104 H GLY 104 6.280 6.019 -14.146 781 HA2 GLY 104 1HA GLY 104 7.271 4.135 -15.701 782 HA3 GLY 104 2HA GLY 104 5.574 3.970 -16.106 783 H ASN 105 H ASN 105 7.710 4.818 -17.916 784 HA ASN 105 HA ASN 105 7.941 6.234 -19.549 785 HB2 ASN 105 1HB ASN 105 5.277 6.936 -18.546 786 HB3 ASN 105 2HB ASN 105 6.096 8.375 -19.119 787 HD21 ASN 105 1HD2 ASN 105 6.887 8.460 -21.262 788 HD22 ASN 105 2HD2 ASN 105 6.204 7.492 -22.525 789 H GLN 106 H GLN 106 9.744 6.560 -17.598 790 HA GLN 106 HA GLN 106 10.904 7.903 -16.289 791 HB2 GLN 106 1HB GLN 106 10.515 9.546 -18.818 792 HB3 GLN 106 2HB GLN 106 11.624 10.042 -17.555 793 HG2 GLN 106 1HG GLN 106 13.183 8.510 -18.189 794 HG3 GLN 106 2HG GLN 106 12.007 7.211 -18.208 795 HE21 GLN 106 1HE2 GLN 106 12.409 6.227 -20.069 796 HE22 GLN 106 2HE2 GLN 106 12.342 6.947 -21.643 797 H ARG 107 H ARG 107 8.594 7.984 -15.045 798 HA ARG 107 HA ARG 107 8.143 10.826 -14.623 799 HB2 ARG 107 1HB ARG 107 6.214 8.733 -15.351 800 HB3 ARG 107 2HB ARG 107 5.768 9.482 -13.831 801 HG2 ARG 107 1HG ARG 107 6.576 11.232 -16.171 802 HG3 ARG 107 2HG ARG 107 4.963 10.547 -16.126 803 HD2 ARG 107 1HD ARG 107 4.497 11.614 -13.965 804 HD3 ARG 107 2HD ARG 107 6.160 12.145 -13.813 805 HE ARG 107 HE ARG 107 5.729 13.906 -15.309 806 HH11 ARG 107 2HH2 ARG 107 3.089 11.581 -15.426 807 HH12 ARG 107 1HH2 ARG 107 2.071 12.594 -16.394 808 HH21 ARG 107 2HH1 ARG 107 4.385 15.243 -16.585 809 HH22 ARG 107 1HH1 ARG 107 2.813 14.691 -17.057 810 H PHE 108 H PHE 108 7.890 11.463 -12.406 811 HA PHE 108 HA PHE 108 8.031 9.303 -10.443 812 HB2 PHE 108 1HB PHE 108 9.725 11.871 -10.496 813 HB3 PHE 108 2HB PHE 108 9.860 10.587 -9.311 814 HD1 PHE 108 1HD PHE 108 9.938 8.160 -10.875 815 HD2 PHE 108 2HD PHE 108 11.677 11.937 -11.721 816 HE1 PHE 108 1HE PHE 108 11.684 7.040 -12.288 817 HE2 PHE 108 2HE PHE 108 13.423 10.817 -13.134 818 HZ PHE 108 HZ PHE 108 13.406 8.382 -13.401 819 H GLU 109 H GLU 109 6.603 9.605 -8.791 820 HA GLU 109 HA GLU 109 5.553 12.314 -8.522 821 HB2 GLU 109 1HB GLU 109 4.186 9.637 -8.004 822 HB3 GLU 109 2HB GLU 109 3.472 11.192 -7.628 823 HG2 GLU 109 1HG GLU 109 3.886 11.806 -10.121 824 HG3 GLU 109 2HG GLU 109 4.211 10.103 -10.375 825 H CYS 110 H CYS 110 5.576 13.285 -6.489 826 HA CYS 110 HA CYS 110 6.760 11.641 -4.373 827 HB2 CYS 110 1HB CYS 110 8.099 13.619 -5.262 828 HB3 CYS 110 2HB CYS 110 6.877 14.663 -4.562 829 HG CYS 110 HG CYS 110 7.365 12.522 -2.407 830 H HIS 111 H HIS 111 5.129 10.969 -3.010 831 HA HIS 111 HA HIS 111 2.798 12.657 -2.727 832 HB2 HIS 111 1HB HIS 111 3.453 9.859 -1.774 833 HB3 HIS 111 2HB HIS 111 1.962 10.690 -1.376 834 HD1 HIS 111 1HD HIS 111 0.119 10.756 -3.148 835 HD2 HIS 111 2HD HIS 111 3.744 9.209 -4.582 836 HE1 HIS 111 1HE HIS 111 -0.382 9.780 -5.453 837 H VAL 112 H VAL 112 2.858 14.280 -1.259 838 HA VAL 112 HA VAL 112 4.664 14.034 0.996 839 HB VAL 112 HB VAL 112 2.897 16.295 0.039 840 HG11 VAL 112 1HG1 VAL 112 3.271 17.178 2.063 841 HG12 VAL 112 2HG1 VAL 112 4.458 15.918 2.479 842 HG13 VAL 112 3HG1 VAL 112 4.970 17.356 1.563 843 HG21 VAL 112 1HG2 VAL 112 4.547 15.924 -1.626 844 HG22 VAL 112 2HG2 VAL 112 5.142 17.284 -0.643 845 HG23 VAL 112 3HG2 VAL 112 5.822 15.655 -0.414 846 H PHE 113 H PHE 113 4.015 14.007 3.179 847 HA PHE 113 HA PHE 113 1.162 13.962 3.704 848 HB2 PHE 113 1HB PHE 113 3.179 11.739 4.388 849 HB3 PHE 113 2HB PHE 113 1.526 11.770 4.968 850 HD1 PHE 113 2HD PHE 113 -0.353 11.561 3.304 851 HD2 PHE 113 1HD PHE 113 3.701 10.894 2.241 852 HE1 PHE 113 2HE PHE 113 -1.095 10.319 1.254 853 HE2 PHE 113 1HE PHE 113 2.958 9.651 0.190 854 HZ PHE 113 HZ PHE 113 0.569 9.379 -0.279 855 H TRP 114 H TRP 114 0.716 13.942 6.113 856 HA TRP 114 HA TRP 114 2.979 15.156 7.548 857 HB2 TRP 114 1HB TRP 114 1.373 16.862 6.993 858 HB3 TRP 114 2HB TRP 114 0.051 15.895 7.617 859 HD1 TRP 114 HD TRP 114 0.154 15.476 10.428 860 HE1 TRP 114 1HE TRP 114 0.910 17.067 12.393 861 HE3 TRP 114 3HE TRP 114 2.900 18.622 7.527 862 HZ2 TRP 114 2HZ TRP 114 2.535 19.410 12.511 863 HZ3 TRP 114 3HZ TRP 114 4.040 20.536 8.645 864 HH2 TRP 114 HH TRP 114 3.891 20.955 11.049 865 H CYS 115 H CYS 115 3.692 13.615 8.971 866 HA CYS 115 HA CYS 115 1.659 11.892 10.169 867 HB2 CYS 115 1HB CYS 115 4.616 11.362 10.354 868 HB3 CYS 115 2HB CYS 115 3.280 10.233 10.452 869 HG CYS 115 HG CYS 115 4.430 11.940 7.863 870 H GLU 116 H GLU 116 1.826 11.510 12.535 871 HA GLU 116 HA GLU 116 3.431 13.489 13.916 872 HB2 GLU 116 1HB GLU 116 0.445 13.076 14.385 873 HB3 GLU 116 2HB GLU 116 1.486 14.066 15.389 874 HG2 GLU 116 1HG GLU 116 1.812 15.688 13.693 875 HG3 GLU 116 2HG GLU 116 1.399 14.575 12.405 876 HA PRO 117 HA PRO 117 3.406 14.035 15.951 877 HB2 PRO 117 1HB PRO 117 5.443 13.940 17.771 878 HB3 PRO 117 2HB PRO 117 3.751 13.982 18.227 879 HG2 PRO 117 1HG PRO 117 5.626 11.698 18.271 880 HG3 PRO 117 2HG PRO 117 4.093 11.875 19.101 881 HD2 PRO 117 1HD PRO 117 4.598 10.325 16.741 882 HD3 PRO 117 2HD PRO 117 3.044 10.597 17.504 883 H ASN 118 H ASN 118 5.264 11.610 14.661 884 HA ASN 118 HA ASN 118 6.676 13.567 13.144 885 HB2 ASN 118 1HB ASN 118 8.921 12.323 13.627 886 HB3 ASN 118 2HB ASN 118 8.347 13.441 14.850 887 HD21 ASN 118 1HD2 ASN 118 9.760 12.176 16.229 888 HD22 ASN 118 2HD2 ASN 118 9.172 10.734 16.987 889 H ALA 119 H ALA 119 7.826 12.458 11.262 890 HA ALA 119 HA ALA 119 6.418 10.003 10.586 891 HB1 ALA 119 1HB ALA 119 6.355 10.976 8.564 892 HB2 ALA 119 2HB ALA 119 7.280 12.357 9.202 893 HB3 ALA 119 3HB ALA 119 8.133 10.964 8.494 894 H ALA 120 H ALA 120 8.677 10.190 12.622 895 HA ALA 120 HA ALA 120 10.952 9.032 11.366 896 HB1 ALA 120 1HB ALA 120 10.357 10.263 13.793 897 HB2 ALA 120 2HB ALA 120 10.635 8.565 14.247 898 HB3 ALA 120 3HB ALA 120 11.894 9.469 13.371 899 H ASN 121 H ASN 121 8.057 7.829 13.135 900 HA ASN 121 HA ASN 121 9.001 5.169 13.136 901 HB2 ASN 121 1HB ASN 121 6.224 6.381 13.583 902 HB3 ASN 121 2HB ASN 121 6.565 4.675 13.793 903 HD21 ASN 121 1HD2 ASN 121 5.831 5.074 15.972 904 HD22 ASN 121 2HD2 ASN 121 6.932 5.659 17.175 905 H VAL 122 H VAL 122 6.893 7.248 11.102 906 HA VAL 122 HA VAL 122 5.815 5.156 9.539 907 HB VAL 122 HB VAL 122 5.988 8.137 9.397 908 HG11 VAL 122 1HG1 VAL 122 4.428 7.661 7.246 909 HG12 VAL 122 2HG1 VAL 122 6.174 7.988 7.137 910 HG13 VAL 122 3HG1 VAL 122 5.578 6.312 7.086 911 HG21 VAL 122 1HG2 VAL 122 3.904 8.028 10.195 912 HG22 VAL 122 2HG2 VAL 122 3.404 6.896 8.915 913 HG23 VAL 122 3HG2 VAL 122 4.153 6.278 10.407 914 H SER 123 H SER 123 8.240 7.720 8.645 915 HA SER 123 HA SER 123 9.020 6.669 6.307 916 HB2 SER 123 1HB SER 123 9.878 8.799 6.964 917 HB3 SER 123 2HB SER 123 10.575 8.164 8.442 918 HG SER 123 HG SER 123 11.673 8.309 5.909 919 H GLU 124 H GLU 124 10.006 5.672 9.612 920 HA GLU 124 HA GLU 124 12.080 3.999 8.780 921 HB2 GLU 124 1HB GLU 124 10.478 4.381 11.297 922 HB3 GLU 124 2HB GLU 124 11.424 2.912 11.155 923 HG2 GLU 124 1HG GLU 124 12.856 5.409 10.361 924 HG3 GLU 124 2HG GLU 124 12.420 5.318 12.056 925 H ALA 125 H ALA 125 8.608 3.384 9.629 926 HA ALA 125 HA ALA 125 8.713 0.619 9.206 927 HB1 ALA 125 1HB ALA 125 6.325 2.469 8.853 928 HB2 ALA 125 2HB ALA 125 6.310 0.748 9.307 929 HB3 ALA 125 3HB ALA 125 6.953 1.962 10.440 930 H VAL 126 H VAL 126 8.542 3.399 7.029 931 HA VAL 126 HA VAL 126 7.659 1.788 4.806 932 HB VAL 126 HB VAL 126 8.556 4.661 5.087 933 HG11 VAL 126 1HG1 VAL 126 8.916 3.450 2.793 934 HG12 VAL 126 2HG1 VAL 126 7.147 3.592 2.653 935 HG13 VAL 126 3HG1 VAL 126 8.146 5.054 2.838 936 HG21 VAL 126 1HG2 VAL 126 5.828 3.366 4.783 937 HG22 VAL 126 2HG2 VAL 126 6.447 4.283 6.179 938 HG23 VAL 126 3HG2 VAL 126 6.129 5.115 4.638 939 H GLN 127 H GLN 127 10.678 3.332 6.034 940 HA GLN 127 HA GLN 127 12.206 2.668 3.808 941 HB2 GLN 127 1HB GLN 127 12.980 3.210 6.706 942 HB3 GLN 127 2HB GLN 127 14.154 3.028 5.417 943 HG2 GLN 127 1HG GLN 127 12.042 4.903 4.632 944 HG3 GLN 127 2HG GLN 127 12.773 5.396 6.147 945 HE21 GLN 127 1HE2 GLN 127 13.868 7.125 5.389 946 HE22 GLN 127 2HE2 GLN 127 15.211 7.048 4.298 947 H ALA 128 H ALA 128 11.747 1.032 7.014 948 HA ALA 128 HA ALA 128 13.497 -1.011 6.804 949 HB1 ALA 128 1HB ALA 128 12.413 -1.325 8.753 950 HB2 ALA 128 2HB ALA 128 10.972 -0.459 8.168 951 HB3 ALA 128 3HB ALA 128 11.169 -2.194 7.822 952 H ALA 129 H ALA 129 10.596 -0.432 4.866 953 HA ALA 129 HA ALA 129 10.478 -3.115 3.865 954 HB1 ALA 129 1HB ALA 129 9.188 -0.568 2.809 955 HB2 ALA 129 2HB ALA 129 8.687 -2.245 2.482 956 HB3 ALA 129 3HB ALA 129 8.510 -1.566 4.118 957 H CYS 130 H CYS 130 11.201 0.110 2.335 958 HA CYS 130 HA CYS 130 12.135 -0.866 -0.033 959 HB2 CYS 130 1HB CYS 130 11.678 1.527 0.481 960 HB3 CYS 130 2HB CYS 130 13.156 1.597 1.419 961 HG CYS 130 HG CYS 130 14.329 2.423 -0.486 962 H SER 131 H SER 131 13.765 -0.483 3.152 963 HA SER 131 HA SER 131 16.335 -0.994 2.251 964 HB2 SER 131 1HB SER 131 15.800 -0.020 4.469 965 HB3 SER 131 2HB SER 131 15.073 -1.532 4.977 966 HG SER 131 HG SER 131 17.013 -2.361 5.382 967 H GLY 132 H GLY 132 14.065 -3.206 4.057 968 HA2 GLY 132 1HA GLY 132 13.614 -5.375 3.019 969 HA3 GLY 132 2HA GLY 132 15.317 -5.471 2.619 970 HA PRO 133 HA PRO 133 14.948 -7.565 6.587 971 HB2 PRO 133 1HB PRO 133 16.470 -9.744 5.956 972 HB3 PRO 133 2HB PRO 133 14.728 -9.707 5.773 973 HG2 PRO 133 1HG PRO 133 16.814 -9.534 3.686 974 HG3 PRO 133 2HG PRO 133 15.115 -9.922 3.510 975 HD2 PRO 133 1HD PRO 133 16.379 -7.426 2.880 976 HD3 PRO 133 2HD PRO 133 14.663 -7.778 2.814 977 H SER 134 H SER 134 16.024 -5.799 7.552 978 HA SER 134 HA SER 134 18.721 -6.562 8.129 979 HB2 SER 134 1HB SER 134 18.027 -4.157 6.462 980 HB3 SER 134 2HB SER 134 19.299 -3.969 7.652 981 HG SER 134 HG SER 134 19.226 -6.048 5.634 982 H SER 135 H SER 135 19.285 -5.924 10.232 983 HA SER 135 HA SER 135 17.571 -3.927 11.456 984 HB2 SER 135 1HB SER 135 16.863 -6.385 11.958 985 HB3 SER 135 2HB SER 135 18.322 -6.480 12.923 986 HG SER 135 HG SER 135 16.266 -4.470 13.279 987 H GLY 136 H GLY 136 18.554 -3.202 13.659 988 HA2 GLY 136 1HA GLY 136 21.322 -3.757 14.133 989 HA3 GLY 136 2HA GLY 136 21.090 -2.216 13.333 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -15.770 -20.277 -21.991 2 HA2 GLY 1 1HA GLY 1 -16.061 -22.864 -21.745 3 HA3 GLY 1 2HA GLY 1 -14.316 -22.790 -21.597 4 H SER 2 H SER 2 -13.330 -21.713 -19.770 5 HA SER 2 HA SER 2 -15.259 -21.091 -17.673 6 HB2 SER 2 1HB SER 2 -13.246 -23.155 -17.722 7 HB3 SER 2 2HB SER 2 -12.773 -21.973 -16.519 8 HG SER 2 HG SER 2 -14.934 -23.766 -16.523 9 H SER 3 H SER 3 -14.646 -19.360 -16.217 10 HA SER 3 HA SER 3 -12.132 -18.131 -16.450 11 HB2 SER 3 1HB SER 3 -13.766 -17.404 -18.526 12 HB3 SER 3 2HB SER 3 -14.227 -16.197 -17.342 13 HG SER 3 HG SER 3 -11.453 -16.736 -17.911 14 H GLY 4 H GLY 4 -12.139 -15.985 -15.109 15 HA2 GLY 4 1HA GLY 4 -13.444 -14.651 -13.557 16 HA3 GLY 4 2HA GLY 4 -14.273 -16.113 -13.063 17 H SER 5 H SER 5 -11.593 -14.025 -12.482 18 HA SER 5 HA SER 5 -9.995 -16.008 -11.202 19 HB2 SER 5 1HB SER 5 -8.598 -14.017 -10.529 20 HB3 SER 5 2HB SER 5 -8.850 -14.158 -12.257 21 HG SER 5 HG SER 5 -9.329 -12.044 -11.905 22 H SER 6 H SER 6 -9.969 -16.522 -9.010 23 HA SER 6 HA SER 6 -11.582 -14.808 -7.296 24 HB2 SER 6 1HB SER 6 -12.163 -17.511 -8.060 25 HB3 SER 6 2HB SER 6 -11.689 -17.549 -6.373 26 HG SER 6 HG SER 6 -13.987 -17.174 -6.648 27 H GLY 7 H GLY 7 -10.174 -13.936 -5.819 28 HA2 GLY 7 1HA GLY 7 -7.786 -15.465 -5.080 29 HA3 GLY 7 2HA GLY 7 -8.077 -13.757 -4.820 30 HA PRO 8 HA PRO 8 -9.801 -16.459 -1.311 31 HB2 PRO 8 1HB PRO 8 -7.841 -18.066 -0.289 32 HB3 PRO 8 2HB PRO 8 -9.080 -18.645 -1.385 33 HG2 PRO 8 1HG PRO 8 -6.231 -18.083 -1.939 34 HG3 PRO 8 2HG PRO 8 -7.363 -19.043 -2.872 35 HD2 PRO 8 1HD PRO 8 -6.464 -16.386 -3.471 36 HD3 PRO 8 2HD PRO 8 -7.681 -17.301 -4.338 37 H THR 9 H THR 9 -9.241 -13.949 -1.235 38 HA THR 9 HA THR 9 -8.212 -12.280 -0.112 39 HB THR 9 HB THR 9 -8.726 -12.525 2.361 40 HG1 THR 9 1HG THR 9 -8.636 -14.651 2.966 41 HG21 THR 9 1HG2 THR 9 -11.053 -12.549 2.098 42 HG22 THR 9 2HG2 THR 9 -10.579 -12.296 0.401 43 HG23 THR 9 3HG2 THR 9 -11.010 -13.926 0.972 44 HA PRO 10 HA PRO 10 -4.130 -13.955 0.367 45 HB2 PRO 10 1HB PRO 10 -2.835 -12.021 -1.065 46 HB3 PRO 10 2HB PRO 10 -3.419 -13.512 -1.778 47 HG2 PRO 10 1HG PRO 10 -4.547 -10.788 -1.993 48 HG3 PRO 10 2HG PRO 10 -4.846 -12.184 -3.010 49 HD2 PRO 10 1HD PRO 10 -6.583 -11.133 -0.984 50 HD3 PRO 10 2HD PRO 10 -6.828 -12.594 -1.920 51 H LYS 11 H LYS 11 -4.671 -13.460 2.643 52 HA LYS 11 HA LYS 11 -3.533 -10.862 3.369 53 HB2 LYS 11 1HB LYS 11 -5.792 -12.412 4.301 54 HB3 LYS 11 2HB LYS 11 -4.689 -12.102 5.626 55 HG2 LYS 11 1HG LYS 11 -5.807 -10.097 5.735 56 HG3 LYS 11 2HG LYS 11 -4.673 -9.631 4.482 57 HD2 LYS 11 1HD LYS 11 -7.272 -10.981 3.702 58 HD3 LYS 11 2HD LYS 11 -7.282 -9.279 4.121 59 HE2 LYS 11 1HE LYS 11 -5.050 -9.691 2.355 60 HE3 LYS 11 2HE LYS 11 -6.421 -10.523 1.648 61 HZ1 LYS 11 1HZ LYS 11 -6.297 -7.703 2.446 62 HZ2 LYS 11 2HZ LYS 11 -6.477 -8.301 0.937 63 HZ3 LYS 11 3HZ LYS 11 -7.689 -8.446 2.022 64 H THR 12 H THR 12 -1.659 -10.703 4.547 65 HA THR 12 HA THR 12 -0.637 -12.784 6.133 66 HB THR 12 HB THR 12 -0.359 -13.720 3.730 67 HG1 THR 12 1HG THR 12 0.997 -14.618 5.297 68 HG21 THR 12 1HG2 THR 12 1.496 -12.881 2.423 69 HG22 THR 12 2HG2 THR 12 0.495 -11.458 2.795 70 HG23 THR 12 3HG2 THR 12 1.987 -11.762 3.717 71 H GLU 13 H GLU 13 1.382 -12.211 7.165 72 HA GLU 13 HA GLU 13 2.742 -10.802 8.101 73 HB2 GLU 13 1HB GLU 13 3.073 -10.329 5.378 74 HB3 GLU 13 2HB GLU 13 2.803 -8.714 6.004 75 HG2 GLU 13 1HG GLU 13 5.005 -8.718 6.578 76 HG3 GLU 13 2HG GLU 13 4.551 -9.784 7.893 77 H LEU 14 H LEU 14 2.692 -8.963 9.497 78 HA LEU 14 HA LEU 14 0.118 -7.928 9.961 79 HB2 LEU 14 1HB LEU 14 2.497 -8.183 11.351 80 HB3 LEU 14 2HB LEU 14 2.334 -6.450 11.154 81 HG LEU 14 HG LEU 14 -0.204 -7.502 11.977 82 HD11 LEU 14 1HD1 LEU 14 0.401 -8.413 14.183 83 HD12 LEU 14 2HD1 LEU 14 0.986 -9.433 12.847 84 HD13 LEU 14 3HD1 LEU 14 2.119 -8.373 13.719 85 HD21 LEU 14 1HD2 LEU 14 -0.192 -5.688 13.309 86 HD22 LEU 14 2HD2 LEU 14 1.446 -6.012 13.925 87 HD23 LEU 14 3HD2 LEU 14 1.229 -5.231 12.340 88 H VAL 15 H VAL 15 -0.269 -5.461 10.166 89 HA VAL 15 HA VAL 15 1.003 -4.083 7.913 90 HB VAL 15 HB VAL 15 -1.948 -4.319 8.515 91 HG11 VAL 15 1HG1 VAL 15 -1.190 -1.974 7.922 92 HG12 VAL 15 2HG1 VAL 15 -0.689 -2.623 6.342 93 HG13 VAL 15 3HG1 VAL 15 -2.399 -2.693 6.832 94 HG21 VAL 15 1HG2 VAL 15 -2.031 -5.843 6.886 95 HG22 VAL 15 2HG2 VAL 15 -1.135 -4.784 5.771 96 HG23 VAL 15 3HG2 VAL 15 -0.251 -5.854 6.885 97 H GLN 16 H GLN 16 1.181 -1.793 8.167 98 HA GLN 16 HA GLN 16 0.557 -0.925 10.882 99 HB2 GLN 16 1HB GLN 16 3.049 -0.517 9.212 100 HB3 GLN 16 2HB GLN 16 2.625 0.659 10.440 101 HG2 GLN 16 1HG GLN 16 2.819 -0.923 12.211 102 HG3 GLN 16 2HG GLN 16 2.672 -2.295 11.130 103 HE21 GLN 16 1HE2 GLN 16 4.708 0.559 11.727 104 HE22 GLN 16 2HE2 GLN 16 6.237 -0.183 11.391 105 H LYS 17 H LYS 17 -1.116 0.510 10.773 106 HA LYS 17 HA LYS 17 -1.213 2.260 8.423 107 HB2 LYS 17 1HB LYS 17 -3.252 0.878 10.059 108 HB3 LYS 17 2HB LYS 17 -3.641 2.535 9.647 109 HG2 LYS 17 1HG LYS 17 -3.463 2.109 7.285 110 HG3 LYS 17 2HG LYS 17 -2.632 0.587 7.538 111 HD2 LYS 17 1HD LYS 17 -5.050 0.276 8.954 112 HD3 LYS 17 2HD LYS 17 -5.522 1.152 7.512 113 HE2 LYS 17 1HE LYS 17 -4.242 -0.579 6.135 114 HE3 LYS 17 2HE LYS 17 -3.993 -1.491 7.611 115 HZ1 LYS 17 1HZ LYS 17 -6.331 -1.259 6.032 116 HZ2 LYS 17 2HZ LYS 17 -5.951 -2.376 7.161 117 HZ3 LYS 17 3HZ LYS 17 -6.641 -0.966 7.608 118 H PHE 18 H PHE 18 -0.913 4.431 8.640 119 HA PHE 18 HA PHE 18 -0.877 5.454 11.391 120 HB2 PHE 18 1HB PHE 18 0.960 5.911 8.972 121 HB3 PHE 18 2HB PHE 18 0.977 6.992 10.351 122 HD1 PHE 18 1HD PHE 18 1.678 6.113 12.589 123 HD2 PHE 18 2HD PHE 18 2.082 3.820 9.042 124 HE1 PHE 18 1HE PHE 18 3.323 4.611 13.747 125 HE2 PHE 18 2HE PHE 18 3.726 2.318 10.199 126 HZ PHE 18 HZ PHE 18 4.327 2.731 12.538 127 H ARG 19 H ARG 19 -2.343 7.058 11.700 128 HA ARG 19 HA ARG 19 -3.770 8.067 9.520 129 HB2 ARG 19 1HB ARG 19 -4.333 7.833 12.143 130 HB3 ARG 19 2HB ARG 19 -3.749 9.485 12.192 131 HG2 ARG 19 1HG ARG 19 -5.468 9.368 9.928 132 HG3 ARG 19 2HG ARG 19 -6.294 8.460 11.180 133 HD2 ARG 19 1HD ARG 19 -5.249 10.767 12.487 134 HD3 ARG 19 2HD ARG 19 -5.896 11.349 10.967 135 HE ARG 19 HE ARG 19 -8.030 10.985 11.821 136 HH11 ARG 19 2HH2 ARG 19 -5.795 8.817 13.462 137 HH12 ARG 19 1HH2 ARG 19 -7.003 8.165 14.518 138 HH21 ARG 19 2HH1 ARG 19 -9.624 10.125 13.215 139 HH22 ARG 19 1HH1 ARG 19 -9.196 8.914 14.377 140 H VAL 20 H VAL 20 -2.649 9.354 8.042 141 HA VAL 20 HA VAL 20 -1.336 11.722 9.174 142 HB VAL 20 HB VAL 20 0.391 11.555 7.501 143 HG11 VAL 20 1HG1 VAL 20 0.378 8.775 8.613 144 HG12 VAL 20 2HG1 VAL 20 1.678 9.990 8.582 145 HG13 VAL 20 3HG1 VAL 20 0.344 10.143 9.751 146 HG21 VAL 20 1HG2 VAL 20 -1.354 9.405 6.420 147 HG22 VAL 20 2HG2 VAL 20 -0.303 10.569 5.577 148 HG23 VAL 20 3HG2 VAL 20 0.400 9.119 6.333 149 H GLN 21 H GLN 21 -1.339 13.602 7.699 150 HA GLN 21 HA GLN 21 -3.813 13.610 6.234 151 HB2 GLN 21 1HB GLN 21 -1.924 15.707 7.295 152 HB3 GLN 21 2HB GLN 21 -3.003 16.149 5.987 153 HG2 GLN 21 1HG GLN 21 -4.967 15.433 7.314 154 HG3 GLN 21 2HG GLN 21 -3.923 14.862 8.601 155 HE21 GLN 21 1HE2 GLN 21 -5.716 17.413 7.416 156 HE22 GLN 21 2HE2 GLN 21 -5.120 18.706 8.403 157 H TYR 22 H TYR 22 -4.015 14.115 3.989 158 HA TYR 22 HA TYR 22 -1.594 13.519 2.480 159 HB2 TYR 22 1HB TYR 22 -4.133 12.571 2.345 160 HB3 TYR 22 2HB TYR 22 -4.413 14.030 1.416 161 HD1 TYR 22 1HD TYR 22 -1.258 13.635 0.455 162 HD2 TYR 22 2HD TYR 22 -4.919 11.437 0.193 163 HE1 TYR 22 1HE TYR 22 -0.412 12.463 -1.636 164 HE2 TYR 22 2HE TYR 22 -4.061 10.272 -1.898 165 HH TYR 22 HH TYR 22 -1.295 9.845 -2.713 166 H LEU 23 H LEU 23 -0.360 15.183 1.771 167 HA LEU 23 HA LEU 23 -1.499 17.817 1.625 168 HB2 LEU 23 1HB LEU 23 1.220 16.606 1.403 169 HB3 LEU 23 2HB LEU 23 0.952 18.191 0.706 170 HG LEU 23 HG LEU 23 -0.150 18.517 3.193 171 HD11 LEU 23 1HD1 LEU 23 2.329 17.287 4.110 172 HD12 LEU 23 2HD1 LEU 23 0.677 17.171 4.763 173 HD13 LEU 23 3HD1 LEU 23 1.187 16.100 3.435 174 HD21 LEU 23 1HD2 LEU 23 1.347 20.170 3.304 175 HD22 LEU 23 2HD2 LEU 23 2.728 19.055 3.174 176 HD23 LEU 23 3HD2 LEU 23 1.891 19.611 1.704 177 H GLY 24 H GLY 24 -0.240 15.301 -0.636 178 HA2 GLY 24 1HA GLY 24 -1.846 15.378 -2.670 179 HA3 GLY 24 2HA GLY 24 -1.113 16.952 -2.904 180 H MET 25 H MET 25 -0.708 15.366 -4.992 181 HA MET 25 HA MET 25 1.883 14.111 -4.534 182 HB2 MET 25 1HB MET 25 -0.213 12.858 -5.551 183 HB3 MET 25 2HB MET 25 0.118 13.779 -7.005 184 HG2 MET 25 1HG MET 25 2.541 12.878 -6.863 185 HG3 MET 25 2HG MET 25 1.963 11.778 -5.627 186 HE1 MET 25 1HE MET 25 -0.302 12.738 -9.065 187 HE2 MET 25 2HE MET 25 1.380 13.307 -8.931 188 HE3 MET 25 3HE MET 25 0.977 11.972 -10.037 189 H LEU 26 H LEU 26 3.604 15.355 -5.123 190 HA LEU 26 HA LEU 26 3.182 17.221 -7.350 191 HB2 LEU 26 1HB LEU 26 3.681 18.131 -5.050 192 HB3 LEU 26 2HB LEU 26 5.265 17.392 -5.174 193 HG LEU 26 HG LEU 26 4.532 19.117 -7.460 194 HD11 LEU 26 1HD1 LEU 26 4.968 21.216 -6.235 195 HD12 LEU 26 2HD1 LEU 26 3.468 20.413 -5.713 196 HD13 LEU 26 3HD1 LEU 26 4.930 20.311 -4.703 197 HD21 LEU 26 1HD2 LEU 26 6.788 17.965 -6.838 198 HD22 LEU 26 2HD2 LEU 26 6.786 19.615 -7.506 199 HD23 LEU 26 3HD2 LEU 26 6.992 19.364 -5.756 200 HA PRO 27 HA PRO 27 5.969 14.655 -9.479 201 HB2 PRO 27 1HB PRO 27 6.077 16.071 -11.815 202 HB3 PRO 27 2HB PRO 27 4.811 14.914 -11.453 203 HG2 PRO 27 1HG PRO 27 4.685 17.867 -11.431 204 HG3 PRO 27 2HG PRO 27 3.368 16.713 -11.494 205 HD2 PRO 27 1HD PRO 27 4.223 18.218 -9.207 206 HD3 PRO 27 2HD PRO 27 2.984 16.979 -9.243 207 H VAL 28 H VAL 28 8.152 14.438 -10.050 208 HA VAL 28 HA VAL 28 9.665 16.917 -9.785 209 HB VAL 28 HB VAL 28 11.185 15.948 -8.193 210 HG11 VAL 28 1HG1 VAL 28 9.624 15.688 -6.219 211 HG12 VAL 28 2HG1 VAL 28 9.391 17.162 -7.190 212 HG13 VAL 28 3HG1 VAL 28 8.271 15.790 -7.372 213 HG21 VAL 28 1HG2 VAL 28 9.423 13.485 -8.363 214 HG22 VAL 28 2HG2 VAL 28 11.147 13.623 -8.781 215 HG23 VAL 28 3HG2 VAL 28 10.630 13.758 -7.083 216 H ASP 29 H ASP 29 12.042 16.492 -10.432 217 HA ASP 29 HA ASP 29 11.909 14.807 -12.772 218 HB2 ASP 29 1HB ASP 29 12.978 17.342 -12.273 219 HB3 ASP 29 2HB ASP 29 14.405 16.325 -12.263 220 H ARG 30 H ARG 30 14.144 15.604 -10.000 221 HA ARG 30 HA ARG 30 15.767 13.366 -10.511 222 HB2 ARG 30 1HB ARG 30 15.742 15.669 -8.718 223 HB3 ARG 30 2HB ARG 30 16.129 14.225 -7.802 224 HG2 ARG 30 1HG ARG 30 17.517 14.854 -10.439 225 HG3 ARG 30 2HG ARG 30 18.098 15.509 -8.920 226 HD2 ARG 30 1HD ARG 30 17.691 12.761 -8.380 227 HD3 ARG 30 2HD ARG 30 18.375 12.786 -9.993 228 HE ARG 30 HE ARG 30 20.411 13.288 -8.990 229 HH11 ARG 30 2HH2 ARG 30 17.845 14.675 -7.022 230 HH12 ARG 30 1HH2 ARG 30 18.931 15.343 -5.849 231 HH21 ARG 30 2HH1 ARG 30 21.844 14.169 -7.444 232 HH22 ARG 30 1HH1 ARG 30 21.221 15.053 -6.091 233 HA PRO 31 HA PRO 31 13.184 10.567 -8.306 234 HB2 PRO 31 1HB PRO 31 14.627 8.293 -8.771 235 HB3 PRO 31 2HB PRO 31 13.445 8.926 -9.900 236 HG2 PRO 31 1HG PRO 31 16.396 9.020 -10.058 237 HG3 PRO 31 2HG PRO 31 15.220 9.252 -11.337 238 HD2 PRO 31 1HD PRO 31 16.713 11.296 -9.987 239 HD3 PRO 31 2HD PRO 31 15.455 11.534 -11.183 240 H VAL 32 H VAL 32 16.238 11.602 -7.521 241 HA VAL 32 HA VAL 32 15.866 10.473 -4.851 242 HB VAL 32 HB VAL 32 18.236 9.941 -4.709 243 HG11 VAL 32 1HG1 VAL 32 18.201 7.906 -5.942 244 HG12 VAL 32 2HG1 VAL 32 16.510 8.265 -5.519 245 HG13 VAL 32 3HG1 VAL 32 17.101 8.582 -7.168 246 HG21 VAL 32 1HG2 VAL 32 18.445 10.468 -7.686 247 HG22 VAL 32 2HG2 VAL 32 18.943 11.645 -6.448 248 HG23 VAL 32 3HG2 VAL 32 19.749 10.061 -6.545 249 H GLY 33 H GLY 33 18.024 11.612 -3.570 250 HA2 GLY 33 1HA GLY 33 19.101 13.617 -3.129 251 HA3 GLY 33 2HA GLY 33 18.120 14.433 -4.330 252 H MET 34 H MET 34 18.603 15.334 -1.590 253 HA MET 34 HA MET 34 16.014 14.864 -0.362 254 HB2 MET 34 1HB MET 34 18.717 15.900 0.584 255 HB3 MET 34 2HB MET 34 17.286 16.270 1.525 256 HG2 MET 34 1HG MET 34 17.165 13.468 0.880 257 HG3 MET 34 2HG MET 34 18.793 13.796 1.437 258 HE1 MET 34 1HE MET 34 15.503 13.017 1.972 259 HE2 MET 34 2HE MET 34 15.350 12.841 3.737 260 HE3 MET 34 3HE MET 34 14.806 14.337 2.941 261 H ASP 35 H ASP 35 18.176 17.436 -1.641 262 HA ASP 35 HA ASP 35 16.939 19.650 -0.803 263 HB2 ASP 35 1HB ASP 35 18.557 18.856 -3.112 264 HB3 ASP 35 2HB ASP 35 17.416 20.105 -3.570 265 H THR 36 H THR 36 16.242 17.961 -3.969 266 HA THR 36 HA THR 36 13.982 19.411 -4.635 267 HB THR 36 HB THR 36 15.025 16.619 -5.271 268 HG1 THR 36 1HG THR 36 15.139 17.954 -7.370 269 HG21 THR 36 1HG2 THR 36 13.135 17.638 -7.228 270 HG22 THR 36 2HG2 THR 36 13.106 16.072 -6.381 271 HG23 THR 36 3HG2 THR 36 12.314 17.491 -5.655 272 H LEU 37 H LEU 37 14.270 16.413 -2.650 273 HA LEU 37 HA LEU 37 11.626 15.826 -2.373 274 HB2 LEU 37 1HB LEU 37 13.554 14.519 -1.542 275 HB3 LEU 37 2HB LEU 37 13.760 15.673 -0.239 276 HG LEU 37 HG LEU 37 11.152 15.000 0.132 277 HD11 LEU 37 1HD1 LEU 37 11.988 12.255 -0.175 278 HD12 LEU 37 2HD1 LEU 37 10.533 13.078 -0.787 279 HD13 LEU 37 3HD1 LEU 37 12.036 13.101 -1.740 280 HD21 LEU 37 1HD2 LEU 37 11.863 13.813 2.040 281 HD22 LEU 37 2HD2 LEU 37 13.395 13.330 1.274 282 HD23 LEU 37 3HD2 LEU 37 13.127 15.029 1.735 283 H ASN 38 H ASN 38 13.480 17.761 0.085 284 HA ASN 38 HA ASN 38 11.351 18.628 1.475 285 HB2 ASN 38 1HB ASN 38 14.026 19.926 0.825 286 HB3 ASN 38 2HB ASN 38 12.871 20.779 1.830 287 HD21 ASN 38 1HD2 ASN 38 14.828 17.891 1.487 288 HD22 ASN 38 2HD2 ASN 38 14.869 17.424 3.154 289 H SER 39 H SER 39 12.960 20.205 -1.384 290 HA SER 39 HA SER 39 11.591 22.484 -1.562 291 HB2 SER 39 1HB SER 39 13.304 21.106 -3.201 292 HB3 SER 39 2HB SER 39 11.834 21.016 -4.150 293 HG SER 39 HG SER 39 12.323 23.565 -3.084 294 H ALA 40 H ALA 40 10.523 19.253 -2.823 295 HA ALA 40 HA ALA 40 8.153 20.062 -3.980 296 HB1 ALA 40 1HB ALA 40 8.902 17.468 -2.573 297 HB2 ALA 40 2HB ALA 40 7.483 17.677 -3.627 298 HB3 ALA 40 3HB ALA 40 9.123 17.849 -4.298 299 H ILE 41 H ILE 41 8.547 18.563 -0.685 300 HA ILE 41 HA ILE 41 6.045 18.884 0.239 301 HB ILE 41 HB ILE 41 8.672 19.236 1.676 302 HG12 ILE 41 1HG1 ILE 41 6.813 16.849 1.646 303 HG13 ILE 41 2HG1 ILE 41 8.113 17.050 0.489 304 HG21 ILE 41 1HG2 ILE 41 6.119 19.926 2.648 305 HG22 ILE 41 2HG2 ILE 41 6.532 18.361 3.389 306 HG23 ILE 41 3HG2 ILE 41 7.633 19.747 3.566 307 HD11 ILE 41 1HD1 ILE 41 9.104 15.765 2.214 308 HD12 ILE 41 2HD1 ILE 41 9.651 17.421 2.572 309 HD13 ILE 41 3HD1 ILE 41 8.308 16.708 3.497 310 H GLU 42 H GLU 42 8.628 21.345 0.943 311 HA GLU 42 HA GLU 42 7.107 23.262 1.954 312 HB2 GLU 42 1HB GLU 42 9.568 23.289 0.240 313 HB3 GLU 42 2HB GLU 42 8.774 24.830 0.494 314 HG2 GLU 42 1HG GLU 42 8.742 23.907 3.058 315 HG3 GLU 42 2HG GLU 42 10.158 23.054 2.478 316 H ASN 43 H ASN 43 7.496 22.530 -1.558 317 HA ASN 43 HA ASN 43 6.227 24.675 -2.602 318 HB2 ASN 43 1HB ASN 43 7.158 22.225 -3.552 319 HB3 ASN 43 2HB ASN 43 5.436 22.077 -3.838 320 HD21 ASN 43 1HD2 ASN 43 6.732 22.030 -6.027 321 HD22 ASN 43 2HD2 ASN 43 6.738 23.521 -6.909 322 H LEU 44 H LEU 44 4.749 21.428 -1.810 323 HA LEU 44 HA LEU 44 2.122 22.158 -2.271 324 HB2 LEU 44 1HB LEU 44 3.531 20.002 -0.789 325 HB3 LEU 44 2HB LEU 44 1.831 20.236 -0.435 326 HG LEU 44 HG LEU 44 2.949 19.771 -3.213 327 HD11 LEU 44 1HD1 LEU 44 2.284 17.905 -1.045 328 HD12 LEU 44 2HD1 LEU 44 1.476 17.545 -2.590 329 HD13 LEU 44 3HD1 LEU 44 3.250 17.665 -2.521 330 HD21 LEU 44 1HD2 LEU 44 0.568 19.285 -3.774 331 HD22 LEU 44 2HD2 LEU 44 0.112 19.877 -2.158 332 HD23 LEU 44 3HD2 LEU 44 0.881 20.979 -3.327 333 H MET 45 H MET 45 3.865 21.957 0.916 334 HA MET 45 HA MET 45 1.991 22.798 2.565 335 HB2 MET 45 1HB MET 45 4.949 23.422 2.329 336 HB3 MET 45 2HB MET 45 4.047 24.240 3.589 337 HG2 MET 45 1HG MET 45 3.289 21.451 3.631 338 HG3 MET 45 2HG MET 45 5.039 21.531 3.581 339 HE1 MET 45 1HE MET 45 3.877 20.194 5.543 340 HE2 MET 45 2HE MET 45 4.545 20.773 7.088 341 HE3 MET 45 3HE MET 45 2.815 20.990 6.729 342 H THR 46 H THR 46 4.228 25.179 0.948 343 HA THR 46 HA THR 46 2.580 27.383 1.664 344 HB THR 46 HB THR 46 4.237 28.610 0.243 345 HG1 THR 46 1HG THR 46 5.638 27.289 -1.040 346 HG21 THR 46 1HG2 THR 46 5.787 26.382 1.622 347 HG22 THR 46 2HG2 THR 46 6.219 28.102 1.475 348 HG23 THR 46 3HG2 THR 46 4.915 27.603 2.579 349 H SER 47 H SER 47 0.618 25.973 0.777 350 HA SER 47 HA SER 47 -0.257 27.420 -1.453 351 HB2 SER 47 1HB SER 47 1.174 25.721 -2.624 352 HB3 SER 47 2HB SER 47 0.211 24.441 -1.914 353 HG SER 47 HG SER 47 -1.320 26.395 -3.222 354 H SER 48 H SER 48 -0.760 24.074 -0.089 355 HA SER 48 HA SER 48 -3.555 24.740 0.204 356 HB2 SER 48 1HB SER 48 -1.944 22.199 0.129 357 HB3 SER 48 2HB SER 48 -3.465 22.168 0.998 358 HG SER 48 HG SER 48 -3.734 21.573 -1.243 359 H SER 49 H SER 49 -4.682 24.466 2.265 360 HA SER 49 HA SER 49 -3.095 25.317 4.429 361 HB2 SER 49 1HB SER 49 -5.988 24.353 4.456 362 HB3 SER 49 2HB SER 49 -5.212 25.336 5.683 363 HG SER 49 HG SER 49 -4.790 26.868 3.740 364 H LYS 50 H LYS 50 -3.686 24.111 6.718 365 HA LYS 50 HA LYS 50 -2.504 21.520 6.429 366 HB2 LYS 50 1HB LYS 50 -1.645 22.595 8.265 367 HB3 LYS 50 2HB LYS 50 -3.156 23.387 8.664 368 HG2 LYS 50 1HG LYS 50 -4.095 21.342 9.576 369 HG3 LYS 50 2HG LYS 50 -2.790 20.372 8.924 370 HD2 LYS 50 1HD LYS 50 -1.413 22.253 10.454 371 HD3 LYS 50 2HD LYS 50 -2.868 22.005 11.398 372 HE2 LYS 50 1HE LYS 50 -2.027 19.408 10.536 373 HE3 LYS 50 2HE LYS 50 -0.580 20.234 11.079 374 HZ1 LYS 50 1HZ LYS 50 -1.320 19.578 13.061 375 HZ2 LYS 50 2HZ LYS 50 -2.291 20.889 12.987 376 HZ3 LYS 50 3HZ LYS 50 -2.875 19.416 12.591 377 H GLU 51 H GLU 51 -5.653 22.829 7.673 378 HA GLU 51 HA GLU 51 -6.722 20.303 8.137 379 HB2 GLU 51 1HB GLU 51 -8.084 22.983 7.621 380 HB3 GLU 51 2HB GLU 51 -8.923 21.554 8.190 381 HG2 GLU 51 1HG GLU 51 -8.028 21.694 10.314 382 HG3 GLU 51 2HG GLU 51 -6.473 22.266 9.740 383 H ASP 52 H ASP 52 -6.375 22.287 5.233 384 HA ASP 52 HA ASP 52 -8.415 21.271 3.719 385 HB2 ASP 52 1HB ASP 52 -5.660 22.362 3.113 386 HB3 ASP 52 2HB ASP 52 -6.591 21.672 1.799 387 H TRP 53 H TRP 53 -5.538 19.769 4.984 388 HA TRP 53 HA TRP 53 -5.337 17.770 2.913 389 HB2 TRP 53 1HB TRP 53 -3.945 17.867 5.590 390 HB3 TRP 53 2HB TRP 53 -3.508 16.902 4.194 391 HD1 TRP 53 HD TRP 53 -3.712 19.326 1.995 392 HE1 TRP 53 1HE TRP 53 -1.853 21.194 1.860 393 HE3 TRP 53 3HE TRP 53 -1.957 18.659 6.721 394 HZ2 TRP 53 2HZ TRP 53 0.099 22.161 3.704 395 HZ3 TRP 53 3HZ TRP 53 -0.072 20.106 7.475 396 HH2 TRP 53 HH TRP 53 0.950 21.809 6.051 397 HA PRO 54 HA PRO 54 -8.356 15.327 4.935 398 HB2 PRO 54 1HB PRO 54 -8.355 13.221 3.193 399 HB3 PRO 54 2HB PRO 54 -9.292 14.679 2.933 400 HG2 PRO 54 1HG PRO 54 -6.793 13.822 1.608 401 HG3 PRO 54 2HG PRO 54 -7.955 15.026 1.087 402 HD2 PRO 54 1HD PRO 54 -5.396 15.517 2.286 403 HD3 PRO 54 2HD PRO 54 -6.606 16.714 1.872 404 H SER 55 H SER 55 -8.484 13.790 6.518 405 HA SER 55 HA SER 55 -5.945 12.858 7.328 406 HB2 SER 55 1HB SER 55 -7.050 12.912 9.294 407 HB3 SER 55 2HB SER 55 -8.575 13.156 8.466 408 HG SER 55 HG SER 55 -8.187 11.124 9.886 409 H VAL 56 H VAL 56 -4.985 11.251 6.099 410 HA VAL 56 HA VAL 56 -6.696 8.976 5.371 411 HB VAL 56 HB VAL 56 -5.221 8.594 3.525 412 HG11 VAL 56 1HG1 VAL 56 -5.657 10.556 2.175 413 HG12 VAL 56 2HG1 VAL 56 -7.037 10.281 3.266 414 HG13 VAL 56 3HG1 VAL 56 -5.855 11.561 3.631 415 HG21 VAL 56 1HG2 VAL 56 -3.242 9.712 5.006 416 HG22 VAL 56 2HG2 VAL 56 -3.142 9.448 3.248 417 HG23 VAL 56 3HG2 VAL 56 -3.595 11.048 3.883 418 H ASN 57 H ASN 57 -5.234 6.878 5.129 419 HA ASN 57 HA ASN 57 -3.532 6.834 7.498 420 HB2 ASN 57 1HB ASN 57 -5.527 4.798 6.416 421 HB3 ASN 57 2HB ASN 57 -4.228 4.287 7.475 422 HD21 ASN 57 1HD2 ASN 57 -7.335 4.920 7.492 423 HD22 ASN 57 2HD2 ASN 57 -7.585 5.618 9.058 424 H MET 58 H MET 58 -1.476 5.834 7.205 425 HA MET 58 HA MET 58 -0.893 5.102 4.464 426 HB2 MET 58 1HB MET 58 0.481 6.829 5.792 427 HB3 MET 58 2HB MET 58 1.004 5.523 6.838 428 HG2 MET 58 1HG MET 58 2.744 5.357 5.344 429 HG3 MET 58 2HG MET 58 1.602 4.416 4.407 430 HE1 MET 58 1HE MET 58 3.673 7.877 4.404 431 HE2 MET 58 2HE MET 58 2.311 8.923 3.936 432 HE3 MET 58 3HE MET 58 2.234 7.982 5.445 433 H ASN 59 H ASN 59 -1.283 2.952 4.058 434 HA ASN 59 HA ASN 59 -0.966 1.050 6.141 435 HB2 ASN 59 1HB ASN 59 -2.729 0.780 4.411 436 HB3 ASN 59 2HB ASN 59 -1.520 0.747 3.143 437 HD21 ASN 59 1HD2 ASN 59 -3.584 -1.175 4.382 438 HD22 ASN 59 2HD2 ASN 59 -2.735 -2.675 4.553 439 H VAL 60 H VAL 60 0.769 -0.464 6.355 440 HA VAL 60 HA VAL 60 2.842 -0.376 4.293 441 HB VAL 60 HB VAL 60 3.222 0.009 7.266 442 HG11 VAL 60 1HG1 VAL 60 4.875 -1.577 6.098 443 HG12 VAL 60 2HG1 VAL 60 5.449 -0.134 5.227 444 HG13 VAL 60 3HG1 VAL 60 5.552 -0.202 7.003 445 HG21 VAL 60 1HG2 VAL 60 2.757 2.117 6.404 446 HG22 VAL 60 2HG2 VAL 60 4.533 2.050 6.303 447 HG23 VAL 60 3HG2 VAL 60 3.547 1.772 4.847 448 H ALA 61 H ALA 61 2.640 -2.422 3.485 449 HA ALA 61 HA ALA 61 3.294 -4.584 5.243 450 HB1 ALA 61 1HB ALA 61 0.490 -4.138 4.255 451 HB2 ALA 61 2HB ALA 61 1.116 -5.803 4.330 452 HB3 ALA 61 3HB ALA 61 1.057 -4.807 5.804 453 H ASP 62 H ASP 62 3.349 -6.706 3.888 454 HA ASP 62 HA ASP 62 4.458 -7.668 2.263 455 HB2 ASP 62 1HB ASP 62 1.937 -7.013 1.417 456 HB3 ASP 62 2HB ASP 62 2.876 -6.227 0.164 457 H ALA 63 H ALA 63 5.597 -5.060 3.074 458 HA ALA 63 HA ALA 63 7.053 -3.518 2.435 459 HB1 ALA 63 1HB ALA 63 7.809 -5.942 1.292 460 HB2 ALA 63 2HB ALA 63 7.909 -4.796 -0.066 461 HB3 ALA 63 3HB ALA 63 8.826 -4.487 1.428 462 H THR 64 H THR 64 4.582 -2.662 1.877 463 HA THR 64 HA THR 64 4.978 -1.224 -0.623 464 HB THR 64 HB THR 64 2.528 -2.947 0.023 465 HG1 THR 64 1HG THR 64 3.511 -4.233 -1.522 466 HG21 THR 64 1HG2 THR 64 3.094 -1.289 -2.481 467 HG22 THR 64 2HG2 THR 64 1.603 -2.176 -2.084 468 HG23 THR 64 3HG2 THR 64 2.037 -0.709 -1.172 469 H VAL 65 H VAL 65 3.725 0.739 -0.772 470 HA VAL 65 HA VAL 65 2.781 1.592 1.878 471 HB VAL 65 HB VAL 65 4.516 2.895 -0.176 472 HG11 VAL 65 1HG1 VAL 65 2.842 4.545 -0.137 473 HG12 VAL 65 2HG1 VAL 65 2.527 4.316 1.600 474 HG13 VAL 65 3HG1 VAL 65 4.033 5.100 1.065 475 HG21 VAL 65 1HG2 VAL 65 4.998 3.720 2.523 476 HG22 VAL 65 2HG2 VAL 65 4.784 1.953 2.502 477 HG23 VAL 65 3HG2 VAL 65 6.014 2.713 1.464 478 H THR 66 H THR 66 0.578 1.324 1.707 479 HA THR 66 HA THR 66 -0.680 2.533 -0.666 480 HB THR 66 HB THR 66 -1.820 0.398 1.202 481 HG1 THR 66 1HG THR 66 -0.268 0.365 -1.286 482 HG21 THR 66 1HG2 THR 66 -2.553 0.256 -1.610 483 HG22 THR 66 2HG2 THR 66 -3.621 0.459 -0.201 484 HG23 THR 66 3HG2 THR 66 -2.912 1.887 -0.993 485 H VAL 67 H VAL 67 -1.839 4.336 -0.412 486 HA VAL 67 HA VAL 67 -2.262 5.247 2.312 487 HB VAL 67 HB VAL 67 -2.696 6.611 -0.353 488 HG11 VAL 67 1HG1 VAL 67 -3.920 7.986 0.973 489 HG12 VAL 67 2HG1 VAL 67 -3.130 7.430 2.469 490 HG13 VAL 67 3HG1 VAL 67 -2.318 8.619 1.422 491 HG21 VAL 67 1HG2 VAL 67 -0.537 7.818 0.908 492 HG22 VAL 67 2HG2 VAL 67 -0.281 6.083 1.212 493 HG23 VAL 67 3HG2 VAL 67 -0.458 6.677 -0.456 494 H ILE 68 H ILE 68 -4.089 4.618 3.334 495 HA ILE 68 HA ILE 68 -6.470 4.233 1.664 496 HB ILE 68 HB ILE 68 -5.748 3.085 4.363 497 HG12 ILE 68 1HG1 ILE 68 -5.857 1.854 1.596 498 HG13 ILE 68 2HG1 ILE 68 -4.438 2.074 2.600 499 HG21 ILE 68 1HG2 ILE 68 -7.825 1.635 3.798 500 HG22 ILE 68 2HG2 ILE 68 -8.056 3.264 4.477 501 HG23 ILE 68 3HG2 ILE 68 -8.272 2.989 2.731 502 HD11 ILE 68 1HD1 ILE 68 -6.550 -0.003 2.747 503 HD12 ILE 68 2HD1 ILE 68 -4.856 -0.063 3.290 504 HD13 ILE 68 3HD1 ILE 68 -6.096 0.686 4.324 505 H SER 69 H SER 69 -8.560 4.950 2.594 506 HA SER 69 HA SER 69 -8.282 7.577 3.544 507 HB2 SER 69 1HB SER 69 -10.147 7.201 2.140 508 HB3 SER 69 2HB SER 69 -10.607 5.729 2.972 509 HG SER 69 HG SER 69 -10.935 8.455 3.860 510 H GLU 70 H GLU 70 -9.657 8.348 5.537 511 HA GLU 70 HA GLU 70 -8.660 6.912 7.761 512 HB2 GLU 70 1HB GLU 70 -8.644 9.174 8.224 513 HB3 GLU 70 2HB GLU 70 -10.084 9.496 7.278 514 HG2 GLU 70 1HG GLU 70 -11.534 8.621 9.029 515 HG3 GLU 70 2HG GLU 70 -10.170 7.978 9.923 516 H LYS 71 H LYS 71 -11.793 7.259 6.087 517 HA LYS 71 HA LYS 71 -13.181 5.853 8.197 518 HB2 LYS 71 1HB LYS 71 -13.881 7.559 5.951 519 HB3 LYS 71 2HB LYS 71 -14.850 6.099 5.952 520 HG2 LYS 71 1HG LYS 71 -14.477 7.380 8.628 521 HG3 LYS 71 2HG LYS 71 -15.409 8.316 7.477 522 HD2 LYS 71 1HD LYS 71 -16.606 5.927 7.070 523 HD3 LYS 71 2HD LYS 71 -16.037 5.636 8.701 524 HE2 LYS 71 1HE LYS 71 -17.244 7.561 9.564 525 HE3 LYS 71 2HE LYS 71 -17.595 8.148 7.950 526 HZ1 LYS 71 1HZ LYS 71 -18.613 5.654 9.124 527 HZ2 LYS 71 2HZ LYS 71 -19.474 7.015 8.853 528 HZ3 LYS 71 3HZ LYS 71 -18.904 6.146 7.594 529 H ASN 72 H ASN 72 -13.641 5.210 4.711 530 HA ASN 72 HA ASN 72 -14.041 2.581 4.958 531 HB2 ASN 72 1HB ASN 72 -12.646 4.081 2.682 532 HB3 ASN 72 2HB ASN 72 -13.200 2.426 2.531 533 HD21 ASN 72 1HD2 ASN 72 -14.020 5.725 2.460 534 HD22 ASN 72 2HD2 ASN 72 -15.727 5.592 2.199 535 H GLU 73 H GLU 73 -12.605 0.665 4.386 536 HA GLU 73 HA GLU 73 -9.847 1.221 5.161 537 HB2 GLU 73 1HB GLU 73 -11.664 -1.126 5.799 538 HB3 GLU 73 2HB GLU 73 -9.922 -1.275 5.916 539 HG2 GLU 73 1HG GLU 73 -10.864 1.185 7.218 540 HG3 GLU 73 2HG GLU 73 -11.664 -0.227 7.880 541 H GLU 74 H GLU 74 -11.908 0.334 2.627 542 HA GLU 74 HA GLU 74 -9.863 -1.339 1.410 543 HB2 GLU 74 1HB GLU 74 -11.657 -1.963 -0.218 544 HB3 GLU 74 2HB GLU 74 -12.077 -2.358 1.437 545 HG2 GLU 74 1HG GLU 74 -13.808 -0.852 1.498 546 HG3 GLU 74 2HG GLU 74 -12.904 0.377 0.635 547 H GLU 75 H GLU 75 -11.306 1.832 1.402 548 HA GLU 75 HA GLU 75 -10.804 2.438 -1.294 549 HB2 GLU 75 1HB GLU 75 -12.258 3.620 0.663 550 HB3 GLU 75 2HB GLU 75 -10.821 4.617 0.769 551 HG2 GLU 75 1HG GLU 75 -10.977 5.219 -1.599 552 HG3 GLU 75 2HG GLU 75 -12.265 4.061 -1.862 553 H VAL 76 H VAL 76 -8.729 2.208 -2.076 554 HA VAL 76 HA VAL 76 -6.555 3.226 -0.406 555 HB VAL 76 HB VAL 76 -5.961 1.114 -1.004 556 HG11 VAL 76 1HG1 VAL 76 -7.814 0.374 -2.250 557 HG12 VAL 76 2HG1 VAL 76 -7.534 1.562 -3.545 558 HG13 VAL 76 3HG1 VAL 76 -6.432 0.177 -3.355 559 HG21 VAL 76 1HG2 VAL 76 -5.029 2.447 -3.553 560 HG22 VAL 76 2HG2 VAL 76 -4.355 2.872 -1.962 561 HG23 VAL 76 3HG2 VAL 76 -4.206 1.208 -2.577 562 H LEU 77 H LEU 77 -6.599 5.454 -0.701 563 HA LEU 77 HA LEU 77 -7.220 6.743 -3.059 564 HB2 LEU 77 1HB LEU 77 -5.439 7.561 -0.763 565 HB3 LEU 77 2HB LEU 77 -5.926 8.641 -2.054 566 HG LEU 77 HG LEU 77 -8.126 7.229 -0.641 567 HD11 LEU 77 1HD1 LEU 77 -6.169 8.199 0.985 568 HD12 LEU 77 2HD1 LEU 77 -7.213 9.630 0.806 569 HD13 LEU 77 3HD1 LEU 77 -7.894 8.101 1.414 570 HD21 LEU 77 1HD2 LEU 77 -7.785 10.139 -1.407 571 HD22 LEU 77 2HD2 LEU 77 -8.454 8.886 -2.480 572 HD23 LEU 77 3HD2 LEU 77 -9.290 9.297 -0.963 573 H VAL 78 H VAL 78 -3.983 5.731 -1.776 574 HA VAL 78 HA VAL 78 -3.057 5.740 -4.554 575 HB VAL 78 HB VAL 78 -1.914 7.184 -2.192 576 HG11 VAL 78 1HG1 VAL 78 -0.158 5.593 -2.929 577 HG12 VAL 78 2HG1 VAL 78 -0.270 6.263 -4.574 578 HG13 VAL 78 3HG1 VAL 78 0.282 7.291 -3.230 579 HG21 VAL 78 1HG2 VAL 78 -1.318 8.685 -4.340 580 HG22 VAL 78 2HG2 VAL 78 -2.717 7.800 -4.994 581 HG23 VAL 78 3HG2 VAL 78 -2.890 8.766 -3.509 582 H GLU 79 H GLU 79 -1.340 4.206 -4.977 583 HA GLU 79 HA GLU 79 -0.905 2.348 -2.784 584 HB2 GLU 79 1HB GLU 79 -2.695 1.398 -4.190 585 HB3 GLU 79 2HB GLU 79 -1.713 1.597 -5.628 586 HG2 GLU 79 1HG GLU 79 0.044 0.150 -4.160 587 HG3 GLU 79 2HG GLU 79 -1.432 -0.401 -3.394 588 H CYS 80 H CYS 80 1.248 2.955 -2.445 589 HA CYS 80 HA CYS 80 2.970 2.907 -4.804 590 HB2 CYS 80 1HB CYS 80 3.503 4.060 -2.046 591 HB3 CYS 80 2HB CYS 80 4.613 4.104 -3.400 592 HG CYS 80 HG CYS 80 1.935 5.764 -2.712 593 H ARG 81 H ARG 81 4.970 1.632 -4.692 594 HA ARG 81 HA ARG 81 4.864 -0.379 -2.590 595 HB2 ARG 81 1HB ARG 81 5.619 -0.803 -5.526 596 HB3 ARG 81 2HB ARG 81 5.709 -2.037 -4.286 597 HG2 ARG 81 1HG ARG 81 3.410 -2.322 -4.193 598 HG3 ARG 81 2HG ARG 81 3.074 -0.635 -4.525 599 HD2 ARG 81 1HD ARG 81 4.355 -2.162 -6.763 600 HD3 ARG 81 2HD ARG 81 2.718 -2.639 -6.360 601 HE ARG 81 HE ARG 81 3.037 0.263 -6.572 602 HH11 ARG 81 2HH2 ARG 81 2.424 -2.699 -8.370 603 HH12 ARG 81 1HH2 ARG 81 1.628 -1.890 -9.679 604 HH21 ARG 81 2HH1 ARG 81 1.986 1.330 -8.298 605 HH22 ARG 81 1HH1 ARG 81 1.377 0.417 -9.637 606 H VAL 82 H VAL 82 6.890 -0.962 -1.669 607 HA VAL 82 HA VAL 82 8.937 0.920 -1.840 608 HB VAL 82 HB VAL 82 10.154 -0.573 -0.409 609 HG11 VAL 82 1HG1 VAL 82 8.684 0.347 1.041 610 HG12 VAL 82 2HG1 VAL 82 7.275 -0.056 0.032 611 HG13 VAL 82 3HG1 VAL 82 7.994 -1.293 1.091 612 HG21 VAL 82 1HG2 VAL 82 10.119 -2.730 -1.127 613 HG22 VAL 82 2HG2 VAL 82 8.802 -2.856 0.063 614 HG23 VAL 82 3HG2 VAL 82 8.424 -2.643 -1.663 615 H ARG 83 H ARG 83 8.071 -1.745 -3.901 616 HA ARG 83 HA ARG 83 10.714 -2.158 -4.848 617 HB2 ARG 83 1HB ARG 83 9.640 -3.682 -6.475 618 HB3 ARG 83 2HB ARG 83 8.994 -3.969 -4.872 619 HG2 ARG 83 1HG ARG 83 6.912 -3.618 -5.697 620 HG3 ARG 83 2HG ARG 83 7.339 -1.940 -5.968 621 HD2 ARG 83 1HD ARG 83 7.667 -2.241 -8.238 622 HD3 ARG 83 2HD ARG 83 8.356 -3.840 -8.038 623 HE ARG 83 HE ARG 83 5.513 -3.775 -7.382 624 HH11 ARG 83 2HH2 ARG 83 7.823 -4.028 -10.024 625 HH12 ARG 83 1HH2 ARG 83 6.721 -4.848 -11.079 626 HH21 ARG 83 2HH1 ARG 83 4.058 -4.857 -8.773 627 HH22 ARG 83 1HH1 ARG 83 4.565 -5.323 -10.363 628 H PHE 84 H PHE 84 8.039 0.012 -5.497 629 HA PHE 84 HA PHE 84 9.216 0.753 -8.074 630 HB2 PHE 84 1HB PHE 84 6.519 0.743 -6.747 631 HB3 PHE 84 2HB PHE 84 6.838 2.183 -7.694 632 HD1 PHE 84 2HD PHE 84 8.198 1.346 -10.036 633 HD2 PHE 84 1HD PHE 84 5.169 -0.718 -7.897 634 HE1 PHE 84 2HE PHE 84 7.562 0.113 -12.127 635 HE2 PHE 84 1HE PHE 84 4.533 -1.951 -9.989 636 HZ PHE 84 HZ PHE 84 5.738 -1.521 -12.079 637 H LEU 85 H LEU 85 9.528 1.526 -4.861 638 HA LEU 85 HA LEU 85 9.292 4.366 -5.032 639 HB2 LEU 85 1HB LEU 85 9.597 2.386 -3.020 640 HB3 LEU 85 2HB LEU 85 10.937 3.503 -2.858 641 HG LEU 85 HG LEU 85 8.188 4.646 -3.158 642 HD11 LEU 85 1HD1 LEU 85 8.197 4.497 -0.514 643 HD12 LEU 85 2HD1 LEU 85 7.493 3.212 -1.525 644 HD13 LEU 85 3HD1 LEU 85 9.125 3.013 -0.840 645 HD21 LEU 85 1HD2 LEU 85 9.247 6.518 -2.624 646 HD22 LEU 85 2HD2 LEU 85 9.795 5.806 -1.088 647 HD23 LEU 85 3HD2 LEU 85 10.780 5.616 -2.558 648 H SER 86 H SER 86 11.139 5.874 -4.742 649 HA SER 86 HA SER 86 13.530 4.764 -5.993 650 HB2 SER 86 1HB SER 86 12.116 7.408 -6.488 651 HB3 SER 86 2HB SER 86 13.798 7.178 -6.924 652 HG SER 86 HG SER 86 11.608 6.441 -8.319 653 H PHE 87 H PHE 87 12.077 7.195 -3.767 654 HA PHE 87 HA PHE 87 14.162 6.930 -1.919 655 HB2 PHE 87 1HB PHE 87 15.188 8.327 -3.878 656 HB3 PHE 87 2HB PHE 87 14.030 9.579 -3.472 657 HD1 PHE 87 1HD PHE 87 14.227 10.815 -1.356 658 HD2 PHE 87 2HD PHE 87 17.116 7.921 -2.491 659 HE1 PHE 87 1HE PHE 87 15.820 11.735 0.352 660 HE2 PHE 87 2HE PHE 87 18.708 8.841 -0.783 661 HZ PHE 87 HZ PHE 87 18.042 10.737 0.618 662 H MET 88 H MET 88 13.971 8.761 -0.166 663 HA MET 88 HA MET 88 11.633 10.290 -0.152 664 HB2 MET 88 1HB MET 88 10.301 9.038 1.484 665 HB3 MET 88 2HB MET 88 10.670 7.944 0.166 666 HG2 MET 88 1HG MET 88 12.510 6.927 1.452 667 HG3 MET 88 2HG MET 88 12.321 8.107 2.733 668 HE1 MET 88 1HE MET 88 9.438 4.862 1.427 669 HE2 MET 88 2HE MET 88 10.871 5.521 0.601 670 HE3 MET 88 3HE MET 88 11.068 4.338 1.917 671 H GLY 89 H GLY 89 11.200 10.193 2.760 672 HA2 GLY 89 1HA GLY 89 13.117 10.217 4.535 673 HA3 GLY 89 2HA GLY 89 13.658 11.572 3.565 674 H VAL 90 H VAL 90 13.154 12.315 6.056 675 HA VAL 90 HA VAL 90 10.362 13.161 6.201 676 HB VAL 90 HB VAL 90 12.625 12.989 8.185 677 HG11 VAL 90 1HG1 VAL 90 11.322 15.122 8.478 678 HG12 VAL 90 2HG1 VAL 90 9.871 14.128 8.750 679 HG13 VAL 90 3HG1 VAL 90 11.252 14.010 9.866 680 HG21 VAL 90 1HG2 VAL 90 10.382 11.769 9.245 681 HG22 VAL 90 2HG2 VAL 90 10.264 11.382 7.512 682 HG23 VAL 90 3HG2 VAL 90 11.728 10.944 8.424 683 H GLY 91 H GLY 91 9.812 15.150 5.488 684 HA2 GLY 91 1HA GLY 91 11.610 16.976 4.429 685 HA3 GLY 91 2HA GLY 91 9.962 17.317 4.915 686 H LYS 92 H LYS 92 11.248 19.473 5.364 687 HA LYS 92 HA LYS 92 13.065 19.854 7.292 688 HB2 LYS 92 1HB LYS 92 10.598 21.465 6.615 689 HB3 LYS 92 2HB LYS 92 11.792 22.025 7.768 690 HG2 LYS 92 1HG LYS 92 12.699 21.066 5.040 691 HG3 LYS 92 2HG LYS 92 12.012 22.670 5.201 692 HD2 LYS 92 1HD LYS 92 13.715 22.944 7.198 693 HD3 LYS 92 2HD LYS 92 14.528 21.562 6.489 694 HE2 LYS 92 1HE LYS 92 14.779 22.754 4.339 695 HE3 LYS 92 2HE LYS 92 13.841 24.106 4.941 696 HZ1 LYS 92 1HZ LYS 92 15.893 23.600 6.740 697 HZ2 LYS 92 2HZ LYS 92 16.551 23.654 5.246 698 HZ3 LYS 92 3HZ LYS 92 15.678 24.918 5.799 699 H ASP 93 H ASP 93 9.547 20.197 8.114 700 HA ASP 93 HA ASP 93 9.983 19.948 10.811 701 HB2 ASP 93 1HB ASP 93 7.745 20.147 8.996 702 HB3 ASP 93 2HB ASP 93 7.386 18.871 10.141 703 H VAL 94 H VAL 94 9.045 18.063 12.218 704 HA VAL 94 HA VAL 94 10.104 15.584 11.169 705 HB VAL 94 HB VAL 94 9.861 14.801 13.452 706 HG11 VAL 94 1HG1 VAL 94 11.914 15.805 13.314 707 HG12 VAL 94 2HG1 VAL 94 11.237 17.390 12.871 708 HG13 VAL 94 3HG1 VAL 94 11.176 16.838 14.562 709 HG21 VAL 94 1HG2 VAL 94 9.177 16.840 15.089 710 HG22 VAL 94 2HG2 VAL 94 8.126 17.200 13.698 711 HG23 VAL 94 3HG2 VAL 94 8.023 15.617 14.505 712 H HIS 95 H HIS 95 7.125 17.248 11.202 713 HA HIS 95 HA HIS 95 5.620 14.749 11.227 714 HB2 HIS 95 1HB HIS 95 4.295 17.421 11.051 715 HB3 HIS 95 2HB HIS 95 3.751 15.948 11.829 716 HD1 HIS 95 1HD HIS 95 6.394 18.672 12.349 717 HD2 HIS 95 2HD HIS 95 4.139 15.899 14.544 718 HE1 HIS 95 1HE HIS 95 6.872 19.150 14.810 719 H THR 96 H THR 96 7.452 15.434 9.039 720 HA THR 96 HA THR 96 5.449 15.560 6.895 721 HB THR 96 HB THR 96 7.315 16.915 5.654 722 HG1 THR 96 1HG THR 96 8.427 18.135 7.613 723 HG21 THR 96 1HG2 THR 96 6.105 18.281 8.109 724 HG22 THR 96 2HG2 THR 96 6.582 19.048 6.575 725 HG23 THR 96 3HG2 THR 96 5.175 17.959 6.626 726 H PHE 97 H PHE 97 5.651 14.042 5.333 727 HA PHE 97 HA PHE 97 8.195 12.666 5.104 728 HB2 PHE 97 1HB PHE 97 6.856 11.421 6.824 729 HB3 PHE 97 2HB PHE 97 5.461 11.418 5.763 730 HD1 PHE 97 2HD PHE 97 9.060 10.421 5.512 731 HD2 PHE 97 1HD PHE 97 5.008 9.394 4.781 732 HE1 PHE 97 2HE PHE 97 9.791 8.217 4.559 733 HE2 PHE 97 1HE PHE 97 5.739 7.190 3.827 734 HZ PHE 97 HZ PHE 97 8.121 6.628 3.728 735 H ALA 98 H ALA 98 8.666 12.500 2.966 736 HA ALA 98 HA ALA 98 6.436 12.045 1.129 737 HB1 ALA 98 1HB ALA 98 6.948 13.863 -0.223 738 HB2 ALA 98 2HB ALA 98 7.277 14.543 1.389 739 HB3 ALA 98 3HB ALA 98 8.622 13.972 0.372 740 H PHE 99 H PHE 99 7.051 10.903 -0.804 741 HA PHE 99 HA PHE 99 9.818 10.028 -0.930 742 HB2 PHE 99 1HB PHE 99 9.052 7.650 -0.987 743 HB3 PHE 99 2HB PHE 99 8.529 8.395 0.510 744 HD1 PHE 99 1HD PHE 99 7.365 7.476 -2.890 745 HD2 PHE 99 2HD PHE 99 6.253 8.454 1.087 746 HE1 PHE 99 1HE PHE 99 4.995 6.818 -3.391 747 HE2 PHE 99 2HE PHE 99 3.883 7.796 0.586 748 HZ PHE 99 HZ PHE 99 3.283 6.986 -1.647 749 H ILE 100 H ILE 100 10.490 9.460 -3.032 750 HA ILE 100 HA ILE 100 8.636 10.286 -5.098 751 HB ILE 100 HB ILE 100 11.536 9.488 -5.330 752 HG12 ILE 100 1HG1 ILE 100 10.366 12.249 -4.875 753 HG13 ILE 100 2HG1 ILE 100 11.256 11.313 -3.691 754 HG21 ILE 100 1HG2 ILE 100 11.321 9.856 -7.506 755 HG22 ILE 100 2HG2 ILE 100 9.567 10.041 -7.272 756 HG23 ILE 100 3HG2 ILE 100 10.629 11.468 -7.207 757 HD11 ILE 100 1HD1 ILE 100 13.280 11.370 -5.033 758 HD12 ILE 100 2HD1 ILE 100 12.401 12.066 -6.416 759 HD13 ILE 100 3HD1 ILE 100 12.648 13.031 -4.940 760 H MET 101 H MET 101 7.627 8.941 -6.535 761 HA MET 101 HA MET 101 8.413 6.135 -6.368 762 HB2 MET 101 1HB MET 101 6.045 5.519 -6.477 763 HB3 MET 101 2HB MET 101 6.207 6.712 -5.204 764 HG2 MET 101 1HG MET 101 5.478 8.510 -6.776 765 HG3 MET 101 2HG MET 101 5.351 7.338 -8.073 766 HE1 MET 101 1HE MET 101 4.065 4.753 -6.053 767 HE2 MET 101 2HE MET 101 2.548 4.981 -6.957 768 HE3 MET 101 3HE MET 101 4.113 5.141 -7.790 769 H ASP 102 H ASP 102 7.607 4.837 -8.353 770 HA ASP 102 HA ASP 102 7.749 6.586 -10.683 771 HB2 ASP 102 1HB ASP 102 9.796 5.440 -10.782 772 HB3 ASP 102 2HB ASP 102 9.150 4.005 -10.012 773 H THR 103 H THR 103 5.807 6.460 -11.817 774 HA THR 103 HA THR 103 4.149 4.081 -11.424 775 HB THR 103 HB THR 103 2.376 5.600 -12.368 776 HG1 THR 103 1HG THR 103 3.104 7.546 -13.224 777 HG21 THR 103 1HG2 THR 103 3.331 5.770 -9.842 778 HG22 THR 103 2HG2 THR 103 3.850 7.372 -10.420 779 HG23 THR 103 3HG2 THR 103 2.127 6.928 -10.456 780 H GLY 104 H GLY 104 6.340 5.519 -13.691 781 HA2 GLY 104 1HA GLY 104 6.707 3.555 -15.390 782 HA3 GLY 104 2HA GLY 104 5.142 4.104 -15.957 783 H ASN 105 H ASN 105 7.959 4.199 -17.171 784 HA ASN 105 HA ASN 105 8.825 5.535 -18.685 785 HB2 ASN 105 1HB ASN 105 7.356 7.976 -17.605 786 HB3 ASN 105 2HB ASN 105 7.945 7.706 -19.233 787 HD21 ASN 105 1HD2 ASN 105 5.271 8.368 -18.140 788 HD22 ASN 105 2HD2 ASN 105 4.173 7.185 -18.767 789 H GLN 106 H GLN 106 9.651 8.341 -18.325 790 HA GLN 106 HA GLN 106 11.544 7.903 -16.190 791 HB2 GLN 106 1HB GLN 106 11.409 9.961 -18.434 792 HB3 GLN 106 2HB GLN 106 12.659 9.961 -17.205 793 HG2 GLN 106 1HG GLN 106 13.682 8.043 -18.031 794 HG3 GLN 106 2HG GLN 106 12.177 7.350 -18.604 795 HE21 GLN 106 1HE2 GLN 106 12.160 7.120 -20.695 796 HE22 GLN 106 2HE2 GLN 106 12.785 8.213 -21.884 797 H ARG 107 H ARG 107 8.562 8.705 -15.899 798 HA ARG 107 HA ARG 107 8.911 11.315 -14.721 799 HB2 ARG 107 1HB ARG 107 6.580 9.642 -15.616 800 HB3 ARG 107 2HB ARG 107 6.279 10.722 -14.270 801 HG2 ARG 107 1HG ARG 107 5.786 11.809 -16.463 802 HG3 ARG 107 2HG ARG 107 7.036 12.661 -15.579 803 HD2 ARG 107 1HD ARG 107 8.791 11.479 -16.928 804 HD3 ARG 107 2HD ARG 107 7.537 10.636 -17.816 805 HE ARG 107 HE ARG 107 8.300 13.459 -18.113 806 HH11 ARG 107 2HH2 ARG 107 5.822 11.037 -18.723 807 HH12 ARG 107 1HH2 ARG 107 5.093 11.925 -20.020 808 HH21 ARG 107 2HH1 ARG 107 7.339 14.631 -19.823 809 HH22 ARG 107 1HH1 ARG 107 5.961 13.983 -20.650 810 H PHE 108 H PHE 108 8.176 11.725 -12.460 811 HA PHE 108 HA PHE 108 7.963 9.319 -10.826 812 HB2 PHE 108 1HB PHE 108 9.787 11.733 -10.274 813 HB3 PHE 108 2HB PHE 108 9.698 10.275 -9.304 814 HD1 PHE 108 2HD PHE 108 9.895 8.100 -11.152 815 HD2 PHE 108 1HD PHE 108 11.846 11.866 -11.292 816 HE1 PHE 108 2HE PHE 108 11.752 7.088 -12.504 817 HE2 PHE 108 1HE PHE 108 13.703 10.853 -12.644 818 HZ PHE 108 HZ PHE 108 13.634 8.476 -13.234 819 H GLU 109 H GLU 109 6.926 9.673 -8.757 820 HA GLU 109 HA GLU 109 5.659 12.295 -8.591 821 HB2 GLU 109 1HB GLU 109 4.395 9.567 -8.085 822 HB3 GLU 109 2HB GLU 109 3.630 11.087 -7.665 823 HG2 GLU 109 1HG GLU 109 3.246 11.680 -9.890 824 HG3 GLU 109 2HG GLU 109 4.647 10.810 -10.482 825 H CYS 110 H CYS 110 5.515 13.219 -6.513 826 HA CYS 110 HA CYS 110 6.788 11.622 -4.409 827 HB2 CYS 110 1HB CYS 110 8.210 13.498 -5.195 828 HB3 CYS 110 2HB CYS 110 6.938 14.632 -4.784 829 HG CYS 110 HG CYS 110 6.870 13.110 -2.271 830 H HIS 111 H HIS 111 5.185 10.975 -3.007 831 HA HIS 111 HA HIS 111 2.836 12.650 -2.758 832 HB2 HIS 111 1HB HIS 111 3.490 9.867 -1.759 833 HB3 HIS 111 2HB HIS 111 1.988 10.698 -1.408 834 HD1 HIS 111 1HD HIS 111 0.230 10.884 -3.303 835 HD2 HIS 111 2HD HIS 111 3.796 9.005 -4.466 836 HE1 HIS 111 1HE HIS 111 -0.230 9.821 -5.577 837 H VAL 112 H VAL 112 2.748 14.212 -1.231 838 HA VAL 112 HA VAL 112 4.612 14.036 0.994 839 HB VAL 112 HB VAL 112 2.814 16.230 -0.050 840 HG11 VAL 112 1HG1 VAL 112 4.799 17.239 1.732 841 HG12 VAL 112 2HG1 VAL 112 3.027 17.296 1.895 842 HG13 VAL 112 3HG1 VAL 112 3.940 15.921 2.563 843 HG21 VAL 112 1HG2 VAL 112 5.840 16.161 0.007 844 HG22 VAL 112 2HG2 VAL 112 4.892 15.542 -1.367 845 HG23 VAL 112 3HG2 VAL 112 4.770 17.256 -0.902 846 H PHE 113 H PHE 113 3.982 13.933 3.170 847 HA PHE 113 HA PHE 113 1.136 13.847 3.724 848 HB2 PHE 113 1HB PHE 113 3.181 11.629 4.337 849 HB3 PHE 113 2HB PHE 113 1.534 11.631 4.936 850 HD1 PHE 113 2HD PHE 113 -0.361 11.512 3.249 851 HD2 PHE 113 1HD PHE 113 3.685 10.765 2.207 852 HE1 PHE 113 2HE PHE 113 -1.116 10.308 1.180 853 HE2 PHE 113 1HE PHE 113 2.930 9.561 0.138 854 HZ PHE 113 HZ PHE 113 0.539 9.347 -0.351 855 H TRP 114 H TRP 114 0.722 13.754 6.143 856 HA TRP 114 HA TRP 114 2.963 15.037 7.552 857 HB2 TRP 114 1HB TRP 114 1.179 16.612 7.111 858 HB3 TRP 114 2HB TRP 114 -0.008 15.525 7.804 859 HD1 TRP 114 HD TRP 114 0.487 14.988 10.603 860 HE1 TRP 114 1HE TRP 114 1.183 16.639 12.540 861 HE3 TRP 114 3HE TRP 114 2.364 18.604 7.560 862 HZ2 TRP 114 2HZ TRP 114 2.413 19.214 12.582 863 HZ3 TRP 114 3HZ TRP 114 3.294 20.655 8.630 864 HH2 TRP 114 HH TRP 114 3.338 20.991 11.051 865 H CYS 115 H CYS 115 3.866 13.359 8.720 866 HA CYS 115 HA CYS 115 2.060 11.430 9.918 867 HB2 CYS 115 1HB CYS 115 5.085 11.377 10.007 868 HB3 CYS 115 2HB CYS 115 3.973 10.052 10.287 869 HG CYS 115 HG CYS 115 4.473 11.788 7.510 870 H GLU 116 H GLU 116 2.174 10.993 12.259 871 HA GLU 116 HA GLU 116 3.534 13.041 13.786 872 HB2 GLU 116 1HB GLU 116 0.556 12.423 13.983 873 HB3 GLU 116 2HB GLU 116 1.436 13.305 15.217 874 HG2 GLU 116 1HG GLU 116 1.962 15.110 13.702 875 HG3 GLU 116 2HG GLU 116 1.486 14.174 12.299 876 HA PRO 117 HA PRO 117 3.350 13.499 15.845 877 HB2 PRO 117 1HB PRO 117 5.289 13.491 17.771 878 HB3 PRO 117 2HB PRO 117 3.578 13.374 18.133 879 HG2 PRO 117 1HG PRO 117 5.634 11.250 18.191 880 HG3 PRO 117 2HG PRO 117 4.049 11.265 18.940 881 HD2 PRO 117 1HD PRO 117 4.806 9.867 16.553 882 HD3 PRO 117 2HD PRO 117 3.197 9.977 17.238 883 H ASN 118 H ASN 118 5.510 11.282 14.615 884 HA ASN 118 HA ASN 118 6.864 13.452 13.310 885 HB2 ASN 118 1HB ASN 118 9.126 12.268 13.772 886 HB3 ASN 118 2HB ASN 118 8.434 13.168 15.107 887 HD21 ASN 118 1HD2 ASN 118 9.936 11.717 16.271 888 HD22 ASN 118 2HD2 ASN 118 9.358 10.178 16.816 889 H ALA 119 H ALA 119 8.211 12.546 11.417 890 HA ALA 119 HA ALA 119 6.867 10.191 10.367 891 HB1 ALA 119 1HB ALA 119 8.442 12.503 9.252 892 HB2 ALA 119 2HB ALA 119 8.314 11.001 8.305 893 HB3 ALA 119 3HB ALA 119 6.842 11.884 8.775 894 H ALA 120 H ALA 120 8.739 9.871 12.602 895 HA ALA 120 HA ALA 120 11.148 8.833 11.374 896 HB1 ALA 120 1HB ALA 120 10.458 9.964 13.859 897 HB2 ALA 120 2HB ALA 120 10.787 8.249 14.204 898 HB3 ALA 120 3HB ALA 120 12.023 9.249 13.404 899 H ASN 121 H ASN 121 8.231 7.672 13.172 900 HA ASN 121 HA ASN 121 9.027 4.992 13.067 901 HB2 ASN 121 1HB ASN 121 6.844 6.540 14.137 902 HB3 ASN 121 2HB ASN 121 6.131 5.267 13.166 903 HD21 ASN 121 1HD2 ASN 121 5.578 5.123 15.705 904 HD22 ASN 121 2HD2 ASN 121 6.463 3.892 16.543 905 H VAL 122 H VAL 122 6.854 7.125 11.107 906 HA VAL 122 HA VAL 122 5.835 5.137 9.433 907 HB VAL 122 HB VAL 122 6.123 8.111 9.353 908 HG11 VAL 122 1HG1 VAL 122 4.584 7.697 7.156 909 HG12 VAL 122 2HG1 VAL 122 6.332 8.027 7.099 910 HG13 VAL 122 3HG1 VAL 122 5.738 6.352 6.998 911 HG21 VAL 122 1HG2 VAL 122 3.819 8.138 9.656 912 HG22 VAL 122 2HG2 VAL 122 3.600 6.521 8.946 913 HG23 VAL 122 3HG2 VAL 122 4.299 6.691 10.574 914 H SER 123 H SER 123 8.389 7.615 8.667 915 HA SER 123 HA SER 123 9.180 6.552 6.323 916 HB2 SER 123 1HB SER 123 10.028 8.687 7.083 917 HB3 SER 123 2HB SER 123 10.794 7.963 8.483 918 HG SER 123 HG SER 123 11.604 7.915 5.744 919 H GLU 124 H GLU 124 9.941 5.469 9.639 920 HA GLU 124 HA GLU 124 12.053 3.783 8.883 921 HB2 GLU 124 1HB GLU 124 10.363 4.189 11.337 922 HB3 GLU 124 2HB GLU 124 11.273 2.696 11.223 923 HG2 GLU 124 1HG GLU 124 12.780 5.187 10.521 924 HG3 GLU 124 2HG GLU 124 12.311 5.033 12.203 925 H ALA 125 H ALA 125 8.598 3.113 9.816 926 HA ALA 125 HA ALA 125 8.644 0.400 9.312 927 HB1 ALA 125 1HB ALA 125 6.332 0.528 9.567 928 HB2 ALA 125 2HB ALA 125 6.856 2.030 10.366 929 HB3 ALA 125 3HB ALA 125 6.217 2.081 8.705 930 H VAL 126 H VAL 126 8.710 3.144 7.114 931 HA VAL 126 HA VAL 126 7.869 1.523 4.866 932 HB VAL 126 HB VAL 126 8.774 4.397 5.120 933 HG11 VAL 126 1HG1 VAL 126 7.544 3.002 2.719 934 HG12 VAL 126 2HG1 VAL 126 8.020 4.714 2.832 935 HG13 VAL 126 3HG1 VAL 126 9.262 3.439 2.881 936 HG21 VAL 126 1HG2 VAL 126 5.983 3.457 4.471 937 HG22 VAL 126 2HG2 VAL 126 6.536 3.589 6.158 938 HG23 VAL 126 3HG2 VAL 126 6.525 5.028 5.110 939 H GLN 127 H GLN 127 10.811 3.351 5.960 940 HA GLN 127 HA GLN 127 12.436 2.627 3.906 941 HB2 GLN 127 1HB GLN 127 13.065 3.121 6.845 942 HB3 GLN 127 2HB GLN 127 14.315 2.926 5.632 943 HG2 GLN 127 1HG GLN 127 12.258 4.839 4.756 944 HG3 GLN 127 2HG GLN 127 12.967 5.317 6.286 945 HE21 GLN 127 1HE2 GLN 127 15.360 5.230 6.431 946 HE22 GLN 127 2HE2 GLN 127 16.294 5.738 5.063 947 H ALA 128 H ALA 128 12.073 0.948 7.116 948 HA ALA 128 HA ALA 128 13.792 -1.104 6.780 949 HB1 ALA 128 1HB ALA 128 12.835 -1.422 8.794 950 HB2 ALA 128 2HB ALA 128 11.362 -0.548 8.308 951 HB3 ALA 128 3HB ALA 128 11.530 -2.281 7.941 952 H ALA 129 H ALA 129 10.674 -0.572 5.142 953 HA ALA 129 HA ALA 129 10.433 -3.205 4.136 954 HB1 ALA 129 1HB ALA 129 9.290 -0.713 2.852 955 HB2 ALA 129 2HB ALA 129 8.583 -2.344 2.957 956 HB3 ALA 129 3HB ALA 129 8.667 -1.315 4.407 957 H CYS 130 H CYS 130 11.220 -0.103 2.401 958 HA CYS 130 HA CYS 130 12.011 -1.135 0.058 959 HB2 CYS 130 1HB CYS 130 11.883 1.273 0.533 960 HB3 CYS 130 2HB CYS 130 13.325 1.177 1.523 961 HG CYS 130 HG CYS 130 14.577 1.945 -0.377 962 H SER 131 H SER 131 14.222 -0.453 2.879 963 HA SER 131 HA SER 131 16.496 -1.453 1.915 964 HB2 SER 131 1HB SER 131 15.715 -0.552 4.334 965 HB3 SER 131 2HB SER 131 15.779 -2.260 4.722 966 HG SER 131 HG SER 131 17.815 -0.742 4.884 967 H GLY 132 H GLY 132 14.134 -3.412 3.887 968 HA2 GLY 132 1HA GLY 132 13.609 -5.553 2.514 969 HA3 GLY 132 2HA GLY 132 15.316 -5.858 2.769 970 HA PRO 133 HA PRO 133 13.209 -7.531 6.402 971 HB2 PRO 133 1HB PRO 133 14.370 -10.004 6.372 972 HB3 PRO 133 2HB PRO 133 12.826 -9.662 5.618 973 HG2 PRO 133 1HG PRO 133 15.462 -10.072 4.343 974 HG3 PRO 133 2HG PRO 133 13.868 -10.153 3.619 975 HD2 PRO 133 1HD PRO 133 15.752 -8.004 3.383 976 HD3 PRO 133 2HD PRO 133 14.116 -8.036 2.757 977 H SER 134 H SER 134 14.336 -5.837 7.515 978 HA SER 134 HA SER 134 16.391 -7.047 9.089 979 HB2 SER 134 1HB SER 134 17.011 -4.493 7.541 980 HB3 SER 134 2HB SER 134 18.078 -5.302 8.672 981 HG SER 134 HG SER 134 18.625 -5.853 6.488 982 H SER 135 H SER 135 16.395 -6.169 11.184 983 HA SER 135 HA SER 135 15.276 -3.573 11.586 984 HB2 SER 135 1HB SER 135 13.174 -4.648 11.649 985 HB3 SER 135 2HB SER 135 13.820 -6.097 12.392 986 HG SER 135 HG SER 135 13.970 -5.053 14.389 987 H GLY 136 H GLY 136 17.544 -3.332 12.313 988 HA2 GLY 136 1HA GLY 136 18.138 -3.038 14.811 989 HA3 GLY 136 2HA GLY 136 18.210 -4.789 14.780 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -21.465 -18.631 -23.861 2 HA2 GLY 1 1HA GLY 1 -18.747 -17.913 -24.635 3 HA3 GLY 1 2HA GLY 1 -19.783 -16.600 -24.114 4 H SER 2 H SER 2 -21.072 -17.078 -21.967 5 HA SER 2 HA SER 2 -20.969 -17.355 -19.817 6 HB2 SER 2 1HB SER 2 -19.683 -19.945 -20.730 7 HB3 SER 2 2HB SER 2 -19.868 -19.607 -19.020 8 HG SER 2 HG SER 2 -21.723 -20.563 -20.732 9 H SER 3 H SER 3 -19.420 -17.593 -17.817 10 HA SER 3 HA SER 3 -16.684 -17.024 -18.538 11 HB2 SER 3 1HB SER 3 -16.579 -14.982 -17.206 12 HB3 SER 3 2HB SER 3 -17.832 -14.807 -18.418 13 HG SER 3 HG SER 3 -18.105 -14.450 -15.805 14 H GLY 4 H GLY 4 -15.346 -16.792 -16.338 15 HA2 GLY 4 1HA GLY 4 -16.511 -18.626 -14.332 16 HA3 GLY 4 2HA GLY 4 -14.889 -18.843 -14.960 17 H SER 5 H SER 5 -14.041 -18.585 -12.772 18 HA SER 5 HA SER 5 -13.204 -15.990 -12.281 19 HB2 SER 5 1HB SER 5 -15.782 -16.357 -11.313 20 HB3 SER 5 2HB SER 5 -14.812 -16.728 -9.902 21 HG SER 5 HG SER 5 -15.484 -14.331 -10.637 22 H SER 6 H SER 6 -11.967 -15.912 -10.066 23 HA SER 6 HA SER 6 -11.516 -18.266 -8.681 24 HB2 SER 6 1HB SER 6 -9.277 -18.899 -9.474 25 HB3 SER 6 2HB SER 6 -10.437 -19.026 -10.781 26 HG SER 6 HG SER 6 -8.419 -17.957 -11.401 27 H GLY 7 H GLY 7 -9.467 -18.002 -7.216 28 HA2 GLY 7 1HA GLY 7 -8.354 -15.352 -7.038 29 HA3 GLY 7 2HA GLY 7 -9.545 -15.689 -5.797 30 HA PRO 8 HA PRO 8 -5.554 -18.214 -5.204 31 HB2 PRO 8 1HB PRO 8 -3.323 -16.646 -5.386 32 HB3 PRO 8 2HB PRO 8 -3.864 -17.697 -6.680 33 HG2 PRO 8 1HG PRO 8 -4.070 -14.756 -6.473 34 HG3 PRO 8 2HG PRO 8 -4.205 -15.768 -7.897 35 HD2 PRO 8 1HD PRO 8 -6.357 -14.529 -6.462 36 HD3 PRO 8 2HD PRO 8 -6.499 -15.634 -7.815 37 H THR 9 H THR 9 -3.761 -18.076 -3.417 38 HA THR 9 HA THR 9 -5.059 -16.507 -1.302 39 HB THR 9 HB THR 9 -3.924 -18.164 0.190 40 HG1 THR 9 1HG THR 9 -2.754 -19.883 -1.043 41 HG21 THR 9 1HG2 THR 9 -4.806 -20.334 -1.248 42 HG22 THR 9 2HG2 THR 9 -5.892 -19.289 -0.300 43 HG23 THR 9 3HG2 THR 9 -5.712 -19.030 -2.052 44 HA PRO 10 HA PRO 10 -1.554 -13.920 -1.689 45 HB2 PRO 10 1HB PRO 10 -2.605 -11.786 -0.343 46 HB3 PRO 10 2HB PRO 10 -2.817 -12.032 -2.065 47 HG2 PRO 10 1HG PRO 10 -4.766 -12.441 0.120 48 HG3 PRO 10 2HG PRO 10 -5.064 -12.268 -1.598 49 HD2 PRO 10 1HD PRO 10 -5.108 -14.705 -0.086 50 HD3 PRO 10 2HD PRO 10 -5.291 -14.545 -1.822 51 H LYS 11 H LYS 11 -0.141 -12.595 -0.139 52 HA LYS 11 HA LYS 11 -0.234 -13.992 2.442 53 HB2 LYS 11 1HB LYS 11 2.206 -14.092 2.427 54 HB3 LYS 11 2HB LYS 11 1.528 -14.966 1.068 55 HG2 LYS 11 1HG LYS 11 1.860 -12.331 0.099 56 HG3 LYS 11 2HG LYS 11 3.290 -12.613 1.072 57 HD2 LYS 11 1HD LYS 11 4.067 -13.580 -0.868 58 HD3 LYS 11 2HD LYS 11 3.229 -14.987 -0.244 59 HE2 LYS 11 1HE LYS 11 1.342 -14.655 -1.667 60 HE3 LYS 11 2HE LYS 11 1.744 -12.976 -1.969 61 HZ1 LYS 11 1HZ LYS 11 3.885 -14.080 -2.936 62 HZ2 LYS 11 2HZ LYS 11 2.891 -15.360 -3.138 63 HZ3 LYS 11 3HZ LYS 11 2.531 -13.929 -3.837 64 H THR 12 H THR 12 0.854 -12.757 4.224 65 HA THR 12 HA THR 12 1.501 -10.036 3.883 66 HB THR 12 HB THR 12 -0.963 -9.877 3.438 67 HG1 THR 12 1HG THR 12 -0.026 -8.106 4.561 68 HG21 THR 12 1HG2 THR 12 -2.279 -10.114 5.768 69 HG22 THR 12 2HG2 THR 12 -2.125 -11.509 4.673 70 HG23 THR 12 3HG2 THR 12 -1.042 -11.356 6.077 71 H GLU 13 H GLU 13 2.534 -9.224 5.676 72 HA GLU 13 HA GLU 13 2.402 -10.960 8.015 73 HB2 GLU 13 1HB GLU 13 4.875 -9.691 6.762 74 HB3 GLU 13 2HB GLU 13 4.867 -10.434 8.349 75 HG2 GLU 13 1HG GLU 13 3.685 -12.424 6.842 76 HG3 GLU 13 2HG GLU 13 4.763 -11.712 5.657 77 H LEU 14 H LEU 14 0.839 -9.473 8.940 78 HA LEU 14 HA LEU 14 0.202 -7.739 10.146 79 HB2 LEU 14 1HB LEU 14 2.398 -8.499 11.294 80 HB3 LEU 14 2HB LEU 14 3.075 -7.021 10.642 81 HG LEU 14 HG LEU 14 0.530 -6.875 12.225 82 HD11 LEU 14 1HD1 LEU 14 3.299 -7.234 13.396 83 HD12 LEU 14 2HD1 LEU 14 1.907 -6.587 14.298 84 HD13 LEU 14 3HD1 LEU 14 1.859 -8.248 13.659 85 HD21 LEU 14 1HD2 LEU 14 2.631 -4.881 12.653 86 HD22 LEU 14 2HD2 LEU 14 2.101 -5.000 10.958 87 HD23 LEU 14 3HD2 LEU 14 0.911 -4.675 12.241 88 H VAL 15 H VAL 15 -0.082 -5.381 10.136 89 HA VAL 15 HA VAL 15 1.199 -4.088 7.843 90 HB VAL 15 HB VAL 15 -1.760 -4.198 8.452 91 HG11 VAL 15 1HG1 VAL 15 -0.249 -2.524 6.419 92 HG12 VAL 15 2HG1 VAL 15 -2.015 -2.744 6.444 93 HG13 VAL 15 3HG1 VAL 15 -1.200 -1.934 7.803 94 HG21 VAL 15 1HG2 VAL 15 -1.840 -5.866 6.977 95 HG22 VAL 15 2HG2 VAL 15 -1.110 -4.817 5.738 96 HG23 VAL 15 3HG2 VAL 15 -0.070 -5.799 6.798 97 H GLN 16 H GLN 16 1.172 -1.709 7.991 98 HA GLN 16 HA GLN 16 0.733 -0.843 10.741 99 HB2 GLN 16 1HB GLN 16 3.180 -0.731 9.084 100 HB3 GLN 16 2HB GLN 16 2.755 0.819 9.783 101 HG2 GLN 16 1HG GLN 16 2.633 -0.212 12.046 102 HG3 GLN 16 2HG GLN 16 2.998 -1.785 11.364 103 HE21 GLN 16 1HE2 GLN 16 5.011 -1.878 9.995 104 HE22 GLN 16 2HE2 GLN 16 6.422 -1.064 10.582 105 H LYS 17 H LYS 17 -0.978 0.550 10.718 106 HA LYS 17 HA LYS 17 -1.231 2.294 8.372 107 HB2 LYS 17 1HB LYS 17 -3.198 0.901 10.129 108 HB3 LYS 17 2HB LYS 17 -3.641 2.490 9.538 109 HG2 LYS 17 1HG LYS 17 -3.403 1.816 7.232 110 HG3 LYS 17 2HG LYS 17 -2.559 0.343 7.669 111 HD2 LYS 17 1HD LYS 17 -5.002 0.175 9.076 112 HD3 LYS 17 2HD LYS 17 -5.451 0.857 7.525 113 HE2 LYS 17 1HE LYS 17 -4.142 -1.013 6.396 114 HE3 LYS 17 2HE LYS 17 -3.880 -1.724 7.975 115 HZ1 LYS 17 1HZ LYS 17 -5.804 -2.640 6.859 116 HZ2 LYS 17 2HZ LYS 17 -6.244 -1.900 8.247 117 HZ3 LYS 17 3HZ LYS 17 -6.522 -1.174 6.811 118 H PHE 18 H PHE 18 -0.886 4.444 8.613 119 HA PHE 18 HA PHE 18 -0.942 5.471 11.361 120 HB2 PHE 18 1HB PHE 18 0.997 5.907 9.019 121 HB3 PHE 18 2HB PHE 18 0.960 6.999 10.389 122 HD1 PHE 18 1HD PHE 18 1.406 6.006 12.709 123 HD2 PHE 18 2HD PHE 18 2.262 3.939 9.103 124 HE1 PHE 18 1HE PHE 18 2.994 4.507 13.946 125 HE2 PHE 18 2HE PHE 18 3.850 2.440 10.340 126 HZ PHE 18 HZ PHE 18 4.197 2.741 12.746 127 H ARG 19 H ARG 19 -2.549 6.953 11.552 128 HA ARG 19 HA ARG 19 -3.816 8.006 9.322 129 HB2 ARG 19 1HB ARG 19 -4.568 7.738 11.867 130 HB3 ARG 19 2HB ARG 19 -3.929 9.361 12.035 131 HG2 ARG 19 1HG ARG 19 -5.498 9.402 9.655 132 HG3 ARG 19 2HG ARG 19 -6.439 8.493 10.822 133 HD2 ARG 19 1HD ARG 19 -5.502 10.618 12.365 134 HD3 ARG 19 2HD ARG 19 -5.739 11.379 10.804 135 HE ARG 19 HE ARG 19 -8.037 11.222 11.149 136 HH11 ARG 19 2HH2 ARG 19 -6.452 8.742 13.078 137 HH12 ARG 19 1HH2 ARG 19 -7.921 8.199 13.818 138 HH21 ARG 19 2HH1 ARG 19 -9.975 10.506 12.125 139 HH22 ARG 19 1HH1 ARG 19 -9.938 9.209 13.273 140 H VAL 20 H VAL 20 -2.583 9.281 7.915 141 HA VAL 20 HA VAL 20 -1.306 11.628 9.139 142 HB VAL 20 HB VAL 20 0.416 11.504 7.460 143 HG11 VAL 20 1HG1 VAL 20 0.157 8.731 8.654 144 HG12 VAL 20 2HG1 VAL 20 1.643 9.640 8.285 145 HG13 VAL 20 3HG1 VAL 20 0.582 10.168 9.614 146 HG21 VAL 20 1HG2 VAL 20 -0.751 10.608 5.569 147 HG22 VAL 20 2HG2 VAL 20 0.572 9.484 5.963 148 HG23 VAL 20 3HG2 VAL 20 -1.101 9.089 6.428 149 H GLN 21 H GLN 21 -1.235 13.551 7.685 150 HA GLN 21 HA GLN 21 -3.735 13.678 6.267 151 HB2 GLN 21 1HB GLN 21 -1.758 15.694 7.335 152 HB3 GLN 21 2HB GLN 21 -2.873 16.195 6.079 153 HG2 GLN 21 1HG GLN 21 -4.806 15.569 7.443 154 HG3 GLN 21 2HG GLN 21 -3.779 14.813 8.645 155 HE21 GLN 21 1HE2 GLN 21 -5.454 17.543 7.817 156 HE22 GLN 21 2HE2 GLN 21 -4.716 18.712 8.862 157 H TYR 22 H TYR 22 -3.958 14.201 4.038 158 HA TYR 22 HA TYR 22 -1.562 13.615 2.484 159 HB2 TYR 22 1HB TYR 22 -4.059 12.629 2.351 160 HB3 TYR 22 2HB TYR 22 -4.427 14.133 1.529 161 HD1 TYR 22 1HD TYR 22 -1.214 13.716 0.526 162 HD2 TYR 22 2HD TYR 22 -5.006 11.795 0.047 163 HE1 TYR 22 1HE TYR 22 -0.432 12.705 -1.672 164 HE2 TYR 22 2HE TYR 22 -4.212 10.791 -2.149 165 HH TYR 22 HH TYR 22 -1.333 11.843 -3.675 166 H LEU 23 H LEU 23 -0.326 15.309 1.845 167 HA LEU 23 HA LEU 23 -1.474 17.937 1.723 168 HB2 LEU 23 1HB LEU 23 1.231 16.722 1.576 169 HB3 LEU 23 2HB LEU 23 1.008 18.260 0.765 170 HG LEU 23 HG LEU 23 -0.162 18.703 3.237 171 HD11 LEU 23 1HD1 LEU 23 2.150 17.909 4.523 172 HD12 LEU 23 2HD1 LEU 23 0.554 17.131 4.647 173 HD13 LEU 23 3HD1 LEU 23 1.757 16.513 3.490 174 HD21 LEU 23 1HD2 LEU 23 1.069 20.479 2.630 175 HD22 LEU 23 2HD2 LEU 23 2.352 19.696 3.584 176 HD23 LEU 23 3HD2 LEU 23 2.300 19.483 1.818 177 H GLY 24 H GLY 24 -0.174 15.476 -0.579 178 HA2 GLY 24 1HA GLY 24 -1.765 15.537 -2.615 179 HA3 GLY 24 2HA GLY 24 -1.101 17.147 -2.814 180 H MET 25 H MET 25 -0.777 15.159 -4.802 181 HA MET 25 HA MET 25 1.882 14.115 -4.410 182 HB2 MET 25 1HB MET 25 -0.112 12.846 -5.493 183 HB3 MET 25 2HB MET 25 0.068 13.912 -6.873 184 HG2 MET 25 1HG MET 25 2.428 12.310 -5.805 185 HG3 MET 25 2HG MET 25 1.296 11.609 -6.945 186 HE1 MET 25 1HE MET 25 0.609 14.091 -9.099 187 HE2 MET 25 2HE MET 25 1.780 13.307 -10.187 188 HE3 MET 25 3HE MET 25 0.772 12.318 -9.103 189 H LEU 26 H LEU 26 3.734 14.889 -5.416 190 HA LEU 26 HA LEU 26 3.345 16.990 -7.420 191 HB2 LEU 26 1HB LEU 26 3.808 17.816 -5.027 192 HB3 LEU 26 2HB LEU 26 5.430 17.195 -5.263 193 HG LEU 26 HG LEU 26 4.536 18.914 -7.467 194 HD11 LEU 26 1HD1 LEU 26 3.374 19.881 -5.385 195 HD12 LEU 26 2HD1 LEU 26 5.011 20.330 -4.850 196 HD13 LEU 26 3HD1 LEU 26 4.367 20.973 -6.380 197 HD21 LEU 26 1HD2 LEU 26 6.878 18.022 -6.902 198 HD22 LEU 26 2HD2 LEU 26 6.724 19.726 -7.391 199 HD23 LEU 26 3HD2 LEU 26 6.925 19.308 -5.672 200 HA PRO 27 HA PRO 27 6.201 14.421 -9.447 201 HB2 PRO 27 1HB PRO 27 6.435 15.857 -11.760 202 HB3 PRO 27 2HB PRO 27 5.138 14.716 -11.468 203 HG2 PRO 27 1HG PRO 27 5.052 17.670 -11.421 204 HG3 PRO 27 2HG PRO 27 3.724 16.536 -11.556 205 HD2 PRO 27 1HD PRO 27 4.495 18.005 -9.217 206 HD3 PRO 27 2HD PRO 27 3.241 16.785 -9.322 207 H VAL 28 H VAL 28 8.408 14.292 -10.231 208 HA VAL 28 HA VAL 28 9.917 16.711 -9.648 209 HB VAL 28 HB VAL 28 11.478 15.502 -8.224 210 HG11 VAL 28 1HG1 VAL 28 10.074 15.317 -6.220 211 HG12 VAL 28 2HG1 VAL 28 9.626 16.743 -7.186 212 HG13 VAL 28 3HG1 VAL 28 8.613 15.280 -7.236 213 HG21 VAL 28 1HG2 VAL 28 11.242 13.247 -9.053 214 HG22 VAL 28 2HG2 VAL 28 10.852 13.260 -7.316 215 HG23 VAL 28 3HG2 VAL 28 9.544 13.181 -8.521 216 H ASP 29 H ASP 29 12.056 16.695 -10.641 217 HA ASP 29 HA ASP 29 11.982 15.217 -13.066 218 HB2 ASP 29 1HB ASP 29 13.618 17.414 -11.862 219 HB3 ASP 29 2HB ASP 29 14.457 16.416 -13.033 220 H ARG 30 H ARG 30 14.121 15.494 -10.137 221 HA ARG 30 HA ARG 30 15.619 13.214 -11.041 222 HB2 ARG 30 1HB ARG 30 15.909 15.224 -8.783 223 HB3 ARG 30 2HB ARG 30 16.816 13.726 -8.720 224 HG2 ARG 30 1HG ARG 30 17.482 14.361 -11.221 225 HG3 ARG 30 2HG ARG 30 17.018 15.979 -10.732 226 HD2 ARG 30 1HD ARG 30 18.583 15.698 -8.706 227 HD3 ARG 30 2HD ARG 30 19.160 14.220 -9.451 228 HE ARG 30 HE ARG 30 20.353 15.494 -11.013 229 HH11 ARG 30 2HH2 ARG 30 17.948 17.534 -9.452 230 HH12 ARG 30 1HH2 ARG 30 18.536 18.997 -10.170 231 HH21 ARG 30 2HH1 ARG 30 21.129 17.423 -11.961 232 HH22 ARG 30 1HH1 ARG 30 20.357 18.933 -11.608 233 HA PRO 31 HA PRO 31 13.308 10.531 -8.473 234 HB2 PRO 31 1HB PRO 31 14.876 8.297 -8.634 235 HB3 PRO 31 2HB PRO 31 13.708 8.740 -9.864 236 HG2 PRO 31 1HG PRO 31 16.655 8.969 -9.936 237 HG3 PRO 31 2HG PRO 31 15.518 8.997 -11.270 238 HD2 PRO 31 1HD PRO 31 16.860 11.252 -10.110 239 HD3 PRO 31 2HD PRO 31 15.637 11.291 -11.365 240 H VAL 32 H VAL 32 16.441 11.584 -7.775 241 HA VAL 32 HA VAL 32 15.941 10.893 -4.975 242 HB VAL 32 HB VAL 32 18.200 10.212 -4.654 243 HG11 VAL 32 1HG1 VAL 32 16.738 8.891 -6.930 244 HG12 VAL 32 2HG1 VAL 32 18.329 8.282 -6.412 245 HG13 VAL 32 3HG1 VAL 32 16.976 8.331 -5.257 246 HG21 VAL 32 1HG2 VAL 32 18.715 11.719 -7.006 247 HG22 VAL 32 2HG2 VAL 32 19.885 10.916 -5.932 248 HG23 VAL 32 3HG2 VAL 32 19.221 10.044 -7.334 249 H GLY 33 H GLY 33 17.454 12.260 -3.511 250 HA2 GLY 33 1HA GLY 33 18.830 14.272 -3.484 251 HA3 GLY 33 2HA GLY 33 17.799 14.931 -4.738 252 H MET 34 H MET 34 18.458 15.270 -1.556 253 HA MET 34 HA MET 34 15.886 15.148 -0.424 254 HB2 MET 34 1HB MET 34 18.481 16.572 0.380 255 HB3 MET 34 2HB MET 34 17.066 16.531 1.414 256 HG2 MET 34 1HG MET 34 17.503 13.828 0.603 257 HG3 MET 34 2HG MET 34 19.087 14.466 0.998 258 HE1 MET 34 1HE MET 34 15.520 13.754 2.086 259 HE2 MET 34 2HE MET 34 15.452 14.219 3.803 260 HE3 MET 34 3HE MET 34 15.504 15.475 2.542 261 H ASP 35 H ASP 35 17.944 17.810 -1.754 262 HA ASP 35 HA ASP 35 16.535 19.956 -1.044 263 HB2 ASP 35 1HB ASP 35 18.171 19.183 -3.402 264 HB3 ASP 35 2HB ASP 35 17.074 20.512 -3.721 265 H THR 36 H THR 36 16.044 18.085 -4.146 266 HA THR 36 HA THR 36 13.732 19.384 -4.953 267 HB THR 36 HB THR 36 14.922 16.616 -5.435 268 HG1 THR 36 1HG THR 36 14.517 19.135 -6.889 269 HG21 THR 36 1HG2 THR 36 12.960 17.749 -7.382 270 HG22 THR 36 2HG2 THR 36 13.236 16.054 -6.913 271 HG23 THR 36 3HG2 THR 36 12.240 17.112 -5.884 272 H LEU 37 H LEU 37 14.180 16.667 -2.666 273 HA LEU 37 HA LEU 37 11.484 15.959 -2.506 274 HB2 LEU 37 1HB LEU 37 13.420 14.622 -1.733 275 HB3 LEU 37 2HB LEU 37 13.642 15.740 -0.403 276 HG LEU 37 HG LEU 37 11.018 15.053 -0.060 277 HD11 LEU 37 1HD1 LEU 37 11.889 12.323 -0.350 278 HD12 LEU 37 2HD1 LEU 37 10.445 13.131 -1.006 279 HD13 LEU 37 3HD1 LEU 37 11.974 13.165 -1.917 280 HD21 LEU 37 1HD2 LEU 37 12.433 15.098 1.793 281 HD22 LEU 37 2HD2 LEU 37 11.974 13.384 1.654 282 HD23 LEU 37 3HD2 LEU 37 13.569 13.928 1.081 283 H ASN 38 H ASN 38 13.417 17.884 -0.098 284 HA ASN 38 HA ASN 38 11.346 18.714 1.397 285 HB2 ASN 38 1HB ASN 38 13.860 20.264 0.586 286 HB3 ASN 38 2HB ASN 38 12.798 20.776 1.883 287 HD21 ASN 38 1HD2 ASN 38 15.603 19.330 1.302 288 HD22 ASN 38 2HD2 ASN 38 15.744 18.236 2.637 289 H SER 39 H SER 39 12.875 20.498 -1.398 290 HA SER 39 HA SER 39 11.367 22.676 -1.505 291 HB2 SER 39 1HB SER 39 13.216 21.686 -3.132 292 HB3 SER 39 2HB SER 39 11.839 21.164 -4.082 293 HG SER 39 HG SER 39 12.353 23.887 -3.231 294 H ALA 40 H ALA 40 10.462 19.405 -2.755 295 HA ALA 40 HA ALA 40 8.063 20.121 -3.952 296 HB1 ALA 40 1HB ALA 40 7.612 17.778 -3.957 297 HB2 ALA 40 2HB ALA 40 9.382 17.927 -4.068 298 HB3 ALA 40 3HB ALA 40 8.620 17.504 -2.516 299 H ILE 41 H ILE 41 8.574 18.650 -0.660 300 HA ILE 41 HA ILE 41 6.016 18.844 0.235 301 HB ILE 41 HB ILE 41 8.626 19.160 1.712 302 HG12 ILE 41 1HG1 ILE 41 6.800 16.755 1.471 303 HG13 ILE 41 2HG1 ILE 41 8.185 17.031 0.435 304 HG21 ILE 41 1HG2 ILE 41 7.484 18.796 3.770 305 HG22 ILE 41 2HG2 ILE 41 6.675 20.151 2.947 306 HG23 ILE 41 3HG2 ILE 41 5.932 18.534 2.938 307 HD11 ILE 41 1HD1 ILE 41 9.722 16.949 2.308 308 HD12 ILE 41 2HD1 ILE 41 8.381 16.978 3.478 309 HD13 ILE 41 3HD1 ILE 41 8.637 15.546 2.452 310 H GLU 42 H GLU 42 8.584 21.303 1.004 311 HA GLU 42 HA GLU 42 7.108 23.164 2.139 312 HB2 GLU 42 1HB GLU 42 9.467 23.266 0.306 313 HB3 GLU 42 2HB GLU 42 8.655 24.793 0.585 314 HG2 GLU 42 1HG GLU 42 8.761 23.824 3.156 315 HG3 GLU 42 2HG GLU 42 10.207 23.091 2.490 316 H ASN 43 H ASN 43 7.295 22.578 -1.419 317 HA ASN 43 HA ASN 43 5.830 24.750 -2.211 318 HB2 ASN 43 1HB ASN 43 6.987 22.532 -3.442 319 HB3 ASN 43 2HB ASN 43 5.281 22.229 -3.709 320 HD21 ASN 43 1HD2 ASN 43 4.418 23.073 -5.436 321 HD22 ASN 43 2HD2 ASN 43 4.963 24.463 -6.315 322 H LEU 44 H LEU 44 4.753 21.302 -1.668 323 HA LEU 44 HA LEU 44 2.036 21.794 -2.012 324 HB2 LEU 44 1HB LEU 44 3.703 19.640 -0.803 325 HB3 LEU 44 2HB LEU 44 1.986 19.646 -0.450 326 HG LEU 44 HG LEU 44 3.114 19.681 -3.260 327 HD11 LEU 44 1HD1 LEU 44 2.229 17.325 -1.575 328 HD12 LEU 44 2HD1 LEU 44 2.514 17.270 -3.331 329 HD13 LEU 44 3HD1 LEU 44 3.856 17.642 -2.223 330 HD21 LEU 44 1HD2 LEU 44 0.886 20.548 -3.210 331 HD22 LEU 44 2HD2 LEU 44 0.815 18.887 -3.845 332 HD23 LEU 44 3HD2 LEU 44 0.330 19.219 -2.165 333 H MET 45 H MET 45 4.122 21.817 0.938 334 HA MET 45 HA MET 45 2.347 22.022 2.884 335 HB2 MET 45 1HB MET 45 5.031 23.173 2.314 336 HB3 MET 45 2HB MET 45 4.147 24.098 3.511 337 HG2 MET 45 1HG MET 45 3.644 21.642 4.513 338 HG3 MET 45 2HG MET 45 5.117 21.245 3.652 339 HE1 MET 45 1HE MET 45 5.170 20.895 6.788 340 HE2 MET 45 2HE MET 45 5.221 22.399 7.738 341 HE3 MET 45 3HE MET 45 3.767 21.991 6.796 342 H THR 46 H THR 46 3.594 24.990 1.172 343 HA THR 46 HA THR 46 1.854 26.794 2.289 344 HB THR 46 HB THR 46 2.394 28.126 0.211 345 HG1 THR 46 1HG THR 46 3.208 26.941 -1.530 346 HG21 THR 46 1HG2 THR 46 4.436 26.670 1.826 347 HG22 THR 46 2HG2 THR 46 5.019 27.237 0.243 348 HG23 THR 46 3HG2 THR 46 4.348 28.399 1.412 349 H SER 47 H SER 47 1.353 24.833 -0.712 350 HA SER 47 HA SER 47 -1.162 25.913 -1.197 351 HB2 SER 47 1HB SER 47 -1.422 24.075 -2.794 352 HB3 SER 47 2HB SER 47 0.208 24.711 -2.891 353 HG SER 47 HG SER 47 0.134 22.716 -1.011 354 H SER 48 H SER 48 -3.186 25.434 -0.360 355 HA SER 48 HA SER 48 -4.727 24.547 0.884 356 HB2 SER 48 1HB SER 48 -3.141 21.948 0.686 357 HB3 SER 48 2HB SER 48 -4.813 22.080 1.194 358 HG SER 48 HG SER 48 -4.542 23.363 -1.199 359 H SER 49 H SER 49 -5.111 24.786 3.077 360 HA SER 49 HA SER 49 -2.971 25.203 4.773 361 HB2 SER 49 1HB SER 49 -5.937 24.749 5.260 362 HB3 SER 49 2HB SER 49 -4.833 25.064 6.583 363 HG SER 49 HG SER 49 -4.222 27.074 5.500 364 H LYS 50 H LYS 50 -3.223 23.959 7.164 365 HA LYS 50 HA LYS 50 -2.255 21.347 6.605 366 HB2 LYS 50 1HB LYS 50 -1.160 22.280 8.390 367 HB3 LYS 50 2HB LYS 50 -2.587 23.088 9.005 368 HG2 LYS 50 1HG LYS 50 -3.472 21.052 9.942 369 HG3 LYS 50 2HG LYS 50 -2.355 20.053 9.032 370 HD2 LYS 50 1HD LYS 50 -0.456 20.832 10.344 371 HD3 LYS 50 2HD LYS 50 -1.418 22.082 11.108 372 HE2 LYS 50 1HE LYS 50 -2.168 19.146 11.386 373 HE3 LYS 50 2HE LYS 50 -0.973 19.874 12.441 374 HZ1 LYS 50 1HZ LYS 50 -3.714 20.043 12.641 375 HZ2 LYS 50 2HZ LYS 50 -2.602 20.763 13.596 376 HZ3 LYS 50 3HZ LYS 50 -3.193 21.551 12.293 377 H GLU 51 H GLU 51 -5.222 22.680 8.206 378 HA GLU 51 HA GLU 51 -6.317 20.182 8.718 379 HB2 GLU 51 1HB GLU 51 -7.614 22.917 8.361 380 HB3 GLU 51 2HB GLU 51 -8.488 21.505 8.922 381 HG2 GLU 51 1HG GLU 51 -5.931 22.436 10.289 382 HG3 GLU 51 2HG GLU 51 -7.493 23.103 10.720 383 H ASP 52 H ASP 52 -6.455 22.373 5.881 384 HA ASP 52 HA ASP 52 -8.536 21.354 4.529 385 HB2 ASP 52 1HB ASP 52 -6.699 23.173 3.926 386 HB3 ASP 52 2HB ASP 52 -5.907 21.848 3.098 387 H TRP 53 H TRP 53 -5.288 19.966 5.084 388 HA TRP 53 HA TRP 53 -5.383 17.982 3.094 389 HB2 TRP 53 1HB TRP 53 -3.873 17.882 5.706 390 HB3 TRP 53 2HB TRP 53 -3.512 17.012 4.228 391 HD1 TRP 53 HD TRP 53 -3.927 19.755 2.334 392 HE1 TRP 53 1HE TRP 53 -1.990 21.542 2.203 393 HE3 TRP 53 3HE TRP 53 -1.614 18.335 6.634 394 HZ2 TRP 53 2HZ TRP 53 0.242 22.148 3.875 395 HZ3 TRP 53 3HZ TRP 53 0.439 19.576 7.313 396 HH2 TRP 53 HH TRP 53 1.370 21.424 6.011 397 HA PRO 54 HA PRO 54 -8.325 15.426 5.073 398 HB2 PRO 54 1HB PRO 54 -8.326 13.371 3.270 399 HB3 PRO 54 2HB PRO 54 -9.275 14.830 3.061 400 HG2 PRO 54 1HG PRO 54 -6.781 14.029 1.690 401 HG3 PRO 54 2HG PRO 54 -7.955 15.240 1.214 402 HD2 PRO 54 1HD PRO 54 -5.389 15.712 2.406 403 HD3 PRO 54 2HD PRO 54 -6.611 16.913 2.037 404 H SER 55 H SER 55 -8.396 13.904 6.657 405 HA SER 55 HA SER 55 -5.841 12.916 7.355 406 HB2 SER 55 1HB SER 55 -8.039 11.642 8.791 407 HB3 SER 55 2HB SER 55 -6.791 12.711 9.401 408 HG SER 55 HG SER 55 -8.202 14.314 9.436 409 H VAL 56 H VAL 56 -4.988 11.306 6.048 410 HA VAL 56 HA VAL 56 -6.784 9.073 5.400 411 HB VAL 56 HB VAL 56 -5.459 8.681 3.473 412 HG11 VAL 56 1HG1 VAL 56 -7.118 10.656 3.527 413 HG12 VAL 56 2HG1 VAL 56 -5.672 11.694 3.522 414 HG13 VAL 56 3HG1 VAL 56 -5.965 10.570 2.173 415 HG21 VAL 56 1HG2 VAL 56 -3.413 9.780 2.925 416 HG22 VAL 56 2HG2 VAL 56 -3.593 10.932 4.271 417 HG23 VAL 56 3HG2 VAL 56 -3.260 9.216 4.606 418 H ASN 57 H ASN 57 -5.391 6.938 5.088 419 HA ASN 57 HA ASN 57 -3.667 6.814 7.436 420 HB2 ASN 57 1HB ASN 57 -5.617 4.819 6.213 421 HB3 ASN 57 2HB ASN 57 -4.315 4.253 7.241 422 HD21 ASN 57 1HD2 ASN 57 -7.352 4.518 7.436 423 HD22 ASN 57 2HD2 ASN 57 -7.642 5.223 8.992 424 H MET 58 H MET 58 -1.660 5.613 7.194 425 HA MET 58 HA MET 58 -1.003 5.086 4.405 426 HB2 MET 58 1HB MET 58 0.354 6.828 5.622 427 HB3 MET 58 2HB MET 58 0.787 5.642 6.838 428 HG2 MET 58 1HG MET 58 2.654 5.453 5.465 429 HG3 MET 58 2HG MET 58 1.635 4.248 4.704 430 HE1 MET 58 1HE MET 58 3.192 7.481 4.842 431 HE2 MET 58 2HE MET 58 3.261 8.076 3.166 432 HE3 MET 58 3HE MET 58 1.871 8.484 4.198 433 H ASN 59 H ASN 59 -1.333 2.931 3.967 434 HA ASN 59 HA ASN 59 -0.964 1.009 6.024 435 HB2 ASN 59 1HB ASN 59 -2.717 0.708 4.293 436 HB3 ASN 59 2HB ASN 59 -1.511 0.738 3.022 437 HD21 ASN 59 1HD2 ASN 59 -3.503 -1.285 4.100 438 HD22 ASN 59 2HD2 ASN 59 -2.607 -2.755 4.286 439 H VAL 60 H VAL 60 0.826 -0.429 6.240 440 HA VAL 60 HA VAL 60 2.886 -0.281 4.168 441 HB VAL 60 HB VAL 60 3.354 0.021 7.142 442 HG11 VAL 60 1HG1 VAL 60 5.690 0.225 6.637 443 HG12 VAL 60 2HG1 VAL 60 5.102 -1.269 5.869 444 HG13 VAL 60 3HG1 VAL 60 5.375 0.189 4.886 445 HG21 VAL 60 1HG2 VAL 60 4.034 2.289 6.680 446 HG22 VAL 60 2HG2 VAL 60 3.802 2.052 4.931 447 HG23 VAL 60 3HG2 VAL 60 2.398 2.043 6.024 448 H ALA 61 H ALA 61 2.537 -2.346 3.381 449 HA ALA 61 HA ALA 61 3.351 -4.478 5.139 450 HB1 ALA 61 1HB ALA 61 0.566 -4.380 3.911 451 HB2 ALA 61 2HB ALA 61 1.301 -5.826 4.644 452 HB3 ALA 61 3HB ALA 61 0.969 -4.393 5.645 453 H ASP 62 H ASP 62 3.465 -6.599 3.807 454 HA ASP 62 HA ASP 62 4.562 -7.548 2.169 455 HB2 ASP 62 1HB ASP 62 2.051 -7.180 1.385 456 HB3 ASP 62 2HB ASP 62 2.762 -6.079 0.221 457 H ALA 63 H ALA 63 5.755 -5.013 2.946 458 HA ALA 63 HA ALA 63 7.137 -3.414 2.273 459 HB1 ALA 63 1HB ALA 63 7.981 -4.621 -0.248 460 HB2 ALA 63 2HB ALA 63 8.892 -4.402 1.266 461 HB3 ALA 63 3HB ALA 63 7.860 -5.835 1.048 462 H THR 64 H THR 64 4.624 -2.614 1.770 463 HA THR 64 HA THR 64 4.939 -1.162 -0.737 464 HB THR 64 HB THR 64 2.524 -2.902 -0.010 465 HG1 THR 64 1HG THR 64 3.405 -4.144 -1.685 466 HG21 THR 64 1HG2 THR 64 1.912 -2.211 -2.458 467 HG22 THR 64 2HG2 THR 64 1.586 -1.022 -1.173 468 HG23 THR 64 3HG2 THR 64 3.025 -0.845 -2.205 469 H VAL 65 H VAL 65 3.683 0.795 -0.847 470 HA VAL 65 HA VAL 65 2.745 1.624 1.814 471 HB VAL 65 HB VAL 65 4.517 2.967 -0.194 472 HG11 VAL 65 1HG1 VAL 65 2.880 4.647 -0.041 473 HG12 VAL 65 2HG1 VAL 65 2.583 4.330 1.685 474 HG13 VAL 65 3HG1 VAL 65 4.098 5.110 1.171 475 HG21 VAL 65 1HG2 VAL 65 4.802 1.874 2.424 476 HG22 VAL 65 2HG2 VAL 65 6.033 2.666 1.411 477 HG23 VAL 65 3HG2 VAL 65 5.051 3.632 2.539 478 H THR 66 H THR 66 0.542 1.420 1.599 479 HA THR 66 HA THR 66 -0.638 2.754 -0.750 480 HB THR 66 HB THR 66 -1.747 0.436 0.918 481 HG1 THR 66 1HG THR 66 -0.365 0.721 -1.655 482 HG21 THR 66 1HG2 THR 66 -3.652 1.113 -0.223 483 HG22 THR 66 2HG2 THR 66 -2.718 2.050 -1.415 484 HG23 THR 66 3HG2 THR 66 -2.861 0.284 -1.585 485 H VAL 67 H VAL 67 -1.736 4.570 -0.381 486 HA VAL 67 HA VAL 67 -2.233 5.299 2.369 487 HB VAL 67 HB VAL 67 -2.685 6.773 -0.233 488 HG11 VAL 67 1HG1 VAL 67 -2.533 8.773 1.445 489 HG12 VAL 67 2HG1 VAL 67 -4.065 7.886 1.268 490 HG13 VAL 67 3HG1 VAL 67 -3.001 7.555 2.656 491 HG21 VAL 67 1HG2 VAL 67 -0.621 8.062 0.618 492 HG22 VAL 67 2HG2 VAL 67 -0.347 6.657 1.676 493 HG23 VAL 67 3HG2 VAL 67 -0.363 6.450 -0.092 494 H ILE 68 H ILE 68 -3.958 4.213 3.249 495 HA ILE 68 HA ILE 68 -6.352 3.943 1.611 496 HB ILE 68 HB ILE 68 -5.650 2.796 4.316 497 HG12 ILE 68 1HG1 ILE 68 -5.330 1.764 1.508 498 HG13 ILE 68 2HG1 ILE 68 -4.176 1.763 2.826 499 HG21 ILE 68 1HG2 ILE 68 -7.612 1.521 4.223 500 HG22 ILE 68 2HG2 ILE 68 -8.119 3.156 3.738 501 HG23 ILE 68 3HG2 ILE 68 -7.886 1.894 2.504 502 HD11 ILE 68 1HD1 ILE 68 -5.940 0.213 4.040 503 HD12 ILE 68 2HD1 ILE 68 -6.558 -0.051 2.392 504 HD13 ILE 68 3HD1 ILE 68 -4.878 -0.480 2.791 505 H SER 69 H SER 69 -8.410 4.754 2.284 506 HA SER 69 HA SER 69 -8.203 7.275 3.496 507 HB2 SER 69 1HB SER 69 -9.864 6.813 1.751 508 HB3 SER 69 2HB SER 69 -10.617 5.575 2.735 509 HG SER 69 HG SER 69 -11.028 7.346 4.347 510 H GLU 70 H GLU 70 -9.544 7.975 5.438 511 HA GLU 70 HA GLU 70 -9.003 6.187 7.566 512 HB2 GLU 70 1HB GLU 70 -8.681 8.365 8.269 513 HB3 GLU 70 2HB GLU 70 -9.965 9.002 7.261 514 HG2 GLU 70 1HG GLU 70 -11.677 8.077 8.795 515 HG3 GLU 70 2HG GLU 70 -10.432 7.326 9.772 516 H LYS 71 H LYS 71 -11.997 7.599 6.078 517 HA LYS 71 HA LYS 71 -13.613 5.800 7.679 518 HB2 LYS 71 1HB LYS 71 -14.098 8.231 6.010 519 HB3 LYS 71 2HB LYS 71 -15.416 7.091 6.191 520 HG2 LYS 71 1HG LYS 71 -13.845 8.101 8.596 521 HG3 LYS 71 2HG LYS 71 -15.216 8.988 7.960 522 HD2 LYS 71 1HD LYS 71 -16.659 7.603 9.025 523 HD3 LYS 71 2HD LYS 71 -15.986 6.213 8.197 524 HE2 LYS 71 1HE LYS 71 -14.319 5.866 9.913 525 HE3 LYS 71 2HE LYS 71 -14.612 7.441 10.623 526 HZ1 LYS 71 1HZ LYS 71 -16.714 6.734 11.363 527 HZ2 LYS 71 2HZ LYS 71 -16.668 5.351 10.495 528 HZ3 LYS 71 3HZ LYS 71 -15.672 5.546 11.775 529 H ASN 72 H ASN 72 -11.894 4.334 6.100 530 HA ASN 72 HA ASN 72 -13.692 2.766 4.701 531 HB2 ASN 72 1HB ASN 72 -12.536 4.944 3.146 532 HB3 ASN 72 2HB ASN 72 -11.915 3.424 2.533 533 HD21 ASN 72 1HD2 ASN 72 -13.444 1.726 2.014 534 HD22 ASN 72 2HD2 ASN 72 -15.016 2.127 1.406 535 H GLU 73 H GLU 73 -12.420 0.915 3.538 536 HA GLU 73 HA GLU 73 -9.716 0.771 4.619 537 HB2 GLU 73 1HB GLU 73 -11.834 -1.421 4.575 538 HB3 GLU 73 2HB GLU 73 -10.144 -1.716 4.935 539 HG2 GLU 73 1HG GLU 73 -10.378 -0.962 7.067 540 HG3 GLU 73 2HG GLU 73 -11.130 0.526 6.529 541 H GLU 74 H GLU 74 -12.072 -0.629 2.237 542 HA GLU 74 HA GLU 74 -10.018 -1.710 0.650 543 HB2 GLU 74 1HB GLU 74 -12.988 -1.411 0.485 544 HB3 GLU 74 2HB GLU 74 -12.157 -1.599 -1.047 545 HG2 GLU 74 1HG GLU 74 -11.450 -3.458 1.234 546 HG3 GLU 74 2HG GLU 74 -12.938 -3.734 0.349 547 H GLU 75 H GLU 75 -11.144 1.485 1.150 548 HA GLU 75 HA GLU 75 -10.722 2.367 -1.526 549 HB2 GLU 75 1HB GLU 75 -12.190 3.339 0.558 550 HB3 GLU 75 2HB GLU 75 -10.758 4.337 0.725 551 HG2 GLU 75 1HG GLU 75 -10.944 5.049 -1.648 552 HG3 GLU 75 2HG GLU 75 -12.328 3.998 -1.875 553 H VAL 76 H VAL 76 -8.689 2.490 -2.374 554 HA VAL 76 HA VAL 76 -6.532 3.247 -0.530 555 HB VAL 76 HB VAL 76 -5.863 1.214 -1.266 556 HG11 VAL 76 1HG1 VAL 76 -7.720 0.509 -2.532 557 HG12 VAL 76 2HG1 VAL 76 -7.466 1.763 -3.769 558 HG13 VAL 76 3HG1 VAL 76 -6.341 0.389 -3.651 559 HG21 VAL 76 1HG2 VAL 76 -4.992 2.692 -3.754 560 HG22 VAL 76 2HG2 VAL 76 -4.321 3.075 -2.151 561 HG23 VAL 76 3HG2 VAL 76 -4.122 1.443 -2.831 562 H LEU 77 H LEU 77 -6.700 5.504 -0.664 563 HA LEU 77 HA LEU 77 -7.260 6.966 -2.906 564 HB2 LEU 77 1HB LEU 77 -5.529 7.572 -0.513 565 HB3 LEU 77 2HB LEU 77 -5.904 8.765 -1.741 566 HG LEU 77 HG LEU 77 -8.196 7.324 -0.480 567 HD11 LEU 77 1HD1 LEU 77 -7.438 9.698 1.043 568 HD12 LEU 77 2HD1 LEU 77 -7.959 8.090 1.600 569 HD13 LEU 77 3HD1 LEU 77 -6.253 8.377 1.182 570 HD21 LEU 77 1HD2 LEU 77 -7.668 10.043 -1.651 571 HD22 LEU 77 2HD2 LEU 77 -8.891 8.831 -2.101 572 HD23 LEU 77 3HD2 LEU 77 -9.071 9.759 -0.593 573 H VAL 78 H VAL 78 -3.952 6.126 -1.647 574 HA VAL 78 HA VAL 78 -3.050 6.241 -4.437 575 HB VAL 78 HB VAL 78 -1.927 7.562 -1.990 576 HG11 VAL 78 1HG1 VAL 78 -0.014 6.356 -2.640 577 HG12 VAL 78 2HG1 VAL 78 -0.374 6.540 -4.373 578 HG13 VAL 78 3HG1 VAL 78 0.176 7.942 -3.425 579 HG21 VAL 78 1HG2 VAL 78 -1.444 9.220 -4.078 580 HG22 VAL 78 2HG2 VAL 78 -2.878 8.359 -4.686 581 HG23 VAL 78 3HG2 VAL 78 -2.953 9.228 -3.135 582 H GLU 79 H GLU 79 -1.496 4.674 -5.027 583 HA GLU 79 HA GLU 79 -0.931 2.742 -2.917 584 HB2 GLU 79 1HB GLU 79 -2.680 1.807 -4.350 585 HB3 GLU 79 2HB GLU 79 -1.762 2.182 -5.795 586 HG2 GLU 79 1HG GLU 79 -0.313 0.400 -5.515 587 HG3 GLU 79 2HG GLU 79 -0.319 0.527 -3.767 588 H CYS 80 H CYS 80 1.232 3.048 -2.514 589 HA CYS 80 HA CYS 80 2.958 3.225 -4.877 590 HB2 CYS 80 1HB CYS 80 3.327 4.463 -2.132 591 HB3 CYS 80 2HB CYS 80 4.590 4.390 -3.345 592 HG CYS 80 HG CYS 80 2.004 6.243 -3.020 593 H ARG 81 H ARG 81 4.889 1.903 -4.833 594 HA ARG 81 HA ARG 81 4.803 -0.103 -2.724 595 HB2 ARG 81 1HB ARG 81 5.575 -0.382 -5.669 596 HB3 ARG 81 2HB ARG 81 5.883 -1.636 -4.485 597 HG2 ARG 81 1HG ARG 81 3.509 -1.916 -4.033 598 HG3 ARG 81 2HG ARG 81 3.101 -0.474 -4.941 599 HD2 ARG 81 1HD ARG 81 3.981 -1.577 -7.035 600 HD3 ARG 81 2HD ARG 81 4.306 -3.030 -6.111 601 HE ARG 81 HE ARG 81 1.537 -2.048 -5.901 602 HH11 ARG 81 2HH2 ARG 81 3.768 -4.161 -7.616 603 HH12 ARG 81 1HH2 ARG 81 2.518 -5.188 -8.237 604 HH21 ARG 81 2HH1 ARG 81 -0.112 -3.402 -6.720 605 HH22 ARG 81 1HH1 ARG 81 0.297 -4.753 -7.724 606 H VAL 82 H VAL 82 6.894 -0.900 -1.944 607 HA VAL 82 HA VAL 82 8.886 1.120 -1.922 608 HB VAL 82 HB VAL 82 10.052 -0.358 -0.440 609 HG11 VAL 82 1HG1 VAL 82 7.307 0.402 -0.090 610 HG12 VAL 82 2HG1 VAL 82 7.589 -1.145 0.744 611 HG13 VAL 82 3HG1 VAL 82 8.598 0.271 1.128 612 HG21 VAL 82 1HG2 VAL 82 10.085 -2.515 -1.149 613 HG22 VAL 82 2HG2 VAL 82 8.701 -2.664 -0.041 614 HG23 VAL 82 3HG2 VAL 82 8.424 -2.449 -1.786 615 H ARG 83 H ARG 83 8.182 -1.688 -3.914 616 HA ARG 83 HA ARG 83 10.835 -2.046 -4.783 617 HB2 ARG 83 1HB ARG 83 9.879 -3.620 -6.383 618 HB3 ARG 83 2HB ARG 83 9.010 -3.807 -4.872 619 HG2 ARG 83 1HG ARG 83 7.072 -3.401 -5.973 620 HG3 ARG 83 2HG ARG 83 7.619 -1.766 -6.283 621 HD2 ARG 83 1HD ARG 83 8.410 -2.285 -8.443 622 HD3 ARG 83 2HD ARG 83 8.655 -3.978 -8.064 623 HE ARG 83 HE ARG 83 5.870 -3.460 -7.823 624 HH11 ARG 83 2HH2 ARG 83 8.341 -3.517 -10.327 625 HH12 ARG 83 1HH2 ARG 83 7.231 -3.927 -11.592 626 HH21 ARG 83 2HH1 ARG 83 4.405 -4.001 -9.491 627 HH22 ARG 83 1HH1 ARG 83 4.977 -4.204 -11.113 628 H PHE 84 H PHE 84 8.286 0.214 -5.489 629 HA PHE 84 HA PHE 84 9.517 0.895 -8.057 630 HB2 PHE 84 1HB PHE 84 6.815 1.103 -6.719 631 HB3 PHE 84 2HB PHE 84 7.233 2.435 -7.779 632 HD1 PHE 84 1HD PHE 84 8.692 1.076 -9.939 633 HD2 PHE 84 2HD PHE 84 5.193 -0.108 -7.851 634 HE1 PHE 84 1HE PHE 84 7.965 -0.276 -11.925 635 HE2 PHE 84 2HE PHE 84 4.465 -1.460 -9.837 636 HZ PHE 84 HZ PHE 84 5.860 -1.528 -11.850 637 H LEU 85 H LEU 85 9.598 1.719 -4.771 638 HA LEU 85 HA LEU 85 9.580 4.534 -4.962 639 HB2 LEU 85 1HB LEU 85 9.867 2.512 -2.957 640 HB3 LEU 85 2HB LEU 85 11.165 3.674 -2.772 641 HG LEU 85 HG LEU 85 8.363 4.689 -3.096 642 HD11 LEU 85 1HD1 LEU 85 9.374 3.097 -0.803 643 HD12 LEU 85 2HD1 LEU 85 8.489 4.592 -0.417 644 HD13 LEU 85 3HD1 LEU 85 7.716 3.330 -1.407 645 HD21 LEU 85 1HD2 LEU 85 10.103 5.894 -1.081 646 HD22 LEU 85 2HD2 LEU 85 10.821 5.890 -2.709 647 HD23 LEU 85 3HD2 LEU 85 9.228 6.637 -2.442 648 H SER 86 H SER 86 11.343 6.026 -4.980 649 HA SER 86 HA SER 86 13.763 4.813 -6.067 650 HB2 SER 86 1HB SER 86 12.490 7.525 -6.630 651 HB3 SER 86 2HB SER 86 14.102 7.095 -7.167 652 HG SER 86 HG SER 86 12.200 5.153 -7.816 653 H PHE 87 H PHE 87 12.304 7.166 -3.809 654 HA PHE 87 HA PHE 87 14.419 7.000 -2.016 655 HB2 PHE 87 1HB PHE 87 15.456 8.368 -3.958 656 HB3 PHE 87 2HB PHE 87 14.244 9.597 -3.656 657 HD1 PHE 87 1HD PHE 87 17.261 7.977 -2.338 658 HD2 PHE 87 2HD PHE 87 14.412 11.067 -1.753 659 HE1 PHE 87 1HE PHE 87 18.761 9.036 -0.627 660 HE2 PHE 87 2HE PHE 87 15.913 12.127 -0.042 661 HZ PHE 87 HZ PHE 87 18.070 11.098 0.500 662 H MET 88 H MET 88 14.227 8.862 -0.290 663 HA MET 88 HA MET 88 11.781 10.272 -0.293 664 HB2 MET 88 1HB MET 88 10.688 9.068 1.554 665 HB3 MET 88 2HB MET 88 11.040 7.906 0.290 666 HG2 MET 88 1HG MET 88 13.258 8.237 2.239 667 HG3 MET 88 2HG MET 88 11.778 7.643 2.963 668 HE1 MET 88 1HE MET 88 10.298 6.182 0.894 669 HE2 MET 88 2HE MET 88 10.958 4.537 0.736 670 HE3 MET 88 3HE MET 88 10.669 5.228 2.350 671 H GLY 89 H GLY 89 11.683 10.102 2.768 672 HA2 GLY 89 1HA GLY 89 13.576 10.541 4.379 673 HA3 GLY 89 2HA GLY 89 14.055 11.796 3.253 674 H VAL 90 H VAL 90 13.167 12.034 6.100 675 HA VAL 90 HA VAL 90 10.528 13.099 6.061 676 HB VAL 90 HB VAL 90 12.802 13.061 8.035 677 HG11 VAL 90 1HG1 VAL 90 10.094 14.395 8.348 678 HG12 VAL 90 2HG1 VAL 90 11.188 14.011 9.698 679 HG13 VAL 90 3HG1 VAL 90 11.696 15.163 8.440 680 HG21 VAL 90 1HG2 VAL 90 10.637 11.299 7.381 681 HG22 VAL 90 2HG2 VAL 90 11.911 11.101 8.608 682 HG23 VAL 90 3HG2 VAL 90 10.389 11.923 9.029 683 H GLY 91 H GLY 91 9.849 15.262 6.015 684 HA2 GLY 91 1HA GLY 91 11.516 17.044 4.545 685 HA3 GLY 91 2HA GLY 91 9.926 17.368 5.205 686 H LYS 92 H LYS 92 11.361 19.514 5.471 687 HA LYS 92 HA LYS 92 13.321 19.828 7.283 688 HB2 LYS 92 1HB LYS 92 10.938 21.565 6.632 689 HB3 LYS 92 2HB LYS 92 12.169 22.086 7.765 690 HG2 LYS 92 1HG LYS 92 13.042 21.007 5.079 691 HG3 LYS 92 2HG LYS 92 12.382 22.629 5.155 692 HD2 LYS 92 1HD LYS 92 14.098 23.377 6.670 693 HD3 LYS 92 2HD LYS 92 14.596 21.740 7.045 694 HE2 LYS 92 1HE LYS 92 14.829 21.998 4.208 695 HE3 LYS 92 2HE LYS 92 15.496 23.472 4.880 696 HZ1 LYS 92 1HZ LYS 92 16.442 20.772 5.133 697 HZ2 LYS 92 2HZ LYS 92 17.280 22.173 5.110 698 HZ3 LYS 92 3HZ LYS 92 16.559 21.676 6.488 699 H ASP 93 H ASP 93 9.779 19.617 8.020 700 HA ASP 93 HA ASP 93 10.388 19.628 10.815 701 HB2 ASP 93 1HB ASP 93 7.659 18.820 10.016 702 HB3 ASP 93 2HB ASP 93 8.165 20.113 11.084 703 H VAL 94 H VAL 94 9.563 17.789 12.245 704 HA VAL 94 HA VAL 94 10.222 15.262 11.024 705 HB VAL 94 HB VAL 94 10.147 14.424 13.293 706 HG11 VAL 94 1HG1 VAL 94 12.219 15.216 13.500 707 HG12 VAL 94 2HG1 VAL 94 11.839 16.535 12.367 708 HG13 VAL 94 3HG1 VAL 94 11.573 16.758 14.113 709 HG21 VAL 94 1HG2 VAL 94 9.776 16.367 15.088 710 HG22 VAL 94 2HG2 VAL 94 8.701 16.986 13.811 711 HG23 VAL 94 3HG2 VAL 94 8.436 15.360 14.487 712 H HIS 95 H HIS 95 7.461 17.176 11.208 713 HA HIS 95 HA HIS 95 5.708 14.855 11.455 714 HB2 HIS 95 1HB HIS 95 4.662 17.648 11.258 715 HB3 HIS 95 2HB HIS 95 4.019 16.269 12.126 716 HD1 HIS 95 1HD HIS 95 7.023 18.643 12.364 717 HD2 HIS 95 2HD HIS 95 4.529 16.325 14.814 718 HE1 HIS 95 1HE HIS 95 7.701 19.162 14.768 719 H THR 96 H THR 96 7.533 15.782 9.108 720 HA THR 96 HA THR 96 5.382 15.721 7.099 721 HB THR 96 HB THR 96 7.141 17.143 5.748 722 HG1 THR 96 1HG THR 96 8.307 18.444 7.554 723 HG21 THR 96 1HG2 THR 96 5.886 18.449 8.216 724 HG22 THR 96 2HG2 THR 96 6.331 19.254 6.692 725 HG23 THR 96 3HG2 THR 96 4.980 18.095 6.726 726 H PHE 97 H PHE 97 5.520 14.159 5.589 727 HA PHE 97 HA PHE 97 8.113 12.838 5.304 728 HB2 PHE 97 1HB PHE 97 6.682 11.525 6.880 729 HB3 PHE 97 2HB PHE 97 5.322 11.634 5.780 730 HD1 PHE 97 2HD PHE 97 8.896 10.545 5.548 731 HD2 PHE 97 1HD PHE 97 4.833 9.676 4.689 732 HE1 PHE 97 2HE PHE 97 9.585 8.379 4.483 733 HE2 PHE 97 1HE PHE 97 5.521 7.510 3.624 734 HZ PHE 97 HZ PHE 97 7.889 6.888 3.534 735 H ALA 98 H ALA 98 8.622 12.257 3.202 736 HA ALA 98 HA ALA 98 6.499 12.142 1.239 737 HB1 ALA 98 1HB ALA 98 7.527 13.839 -0.202 738 HB2 ALA 98 2HB ALA 98 7.090 14.554 1.368 739 HB3 ALA 98 3HB ALA 98 8.786 14.141 1.019 740 H PHE 99 H PHE 99 7.091 10.896 -0.590 741 HA PHE 99 HA PHE 99 9.845 9.962 -0.677 742 HB2 PHE 99 1HB PHE 99 9.041 7.611 -0.680 743 HB3 PHE 99 2HB PHE 99 8.447 8.399 0.768 744 HD1 PHE 99 2HD PHE 99 7.405 7.666 -2.738 745 HD2 PHE 99 1HD PHE 99 6.196 8.241 1.288 746 HE1 PHE 99 2HE PHE 99 5.058 7.022 -3.351 747 HE2 PHE 99 1HE PHE 99 3.849 7.598 0.675 748 HZ PHE 99 HZ PHE 99 3.307 6.996 -1.637 749 H ILE 100 H ILE 100 10.500 9.206 -2.756 750 HA ILE 100 HA ILE 100 8.680 10.062 -4.864 751 HB ILE 100 HB ILE 100 11.614 9.358 -4.985 752 HG12 ILE 100 1HG1 ILE 100 10.237 12.035 -4.641 753 HG13 ILE 100 2HG1 ILE 100 11.326 11.251 -3.514 754 HG21 ILE 100 1HG2 ILE 100 10.125 9.231 -7.094 755 HG22 ILE 100 2HG2 ILE 100 10.093 11.008 -6.990 756 HG23 ILE 100 3HG2 ILE 100 11.645 10.154 -7.168 757 HD11 ILE 100 1HD1 ILE 100 12.428 13.049 -4.900 758 HD12 ILE 100 2HD1 ILE 100 13.201 11.454 -5.070 759 HD13 ILE 100 3HD1 ILE 100 12.120 12.060 -6.348 760 H MET 101 H MET 101 7.637 8.654 -6.190 761 HA MET 101 HA MET 101 8.502 5.873 -5.985 762 HB2 MET 101 1HB MET 101 6.194 5.200 -5.995 763 HB3 MET 101 2HB MET 101 6.217 6.593 -4.932 764 HG2 MET 101 1HG MET 101 4.585 7.470 -6.259 765 HG3 MET 101 2HG MET 101 5.841 7.761 -7.446 766 HE1 MET 101 1HE MET 101 3.470 3.840 -7.193 767 HE2 MET 101 2HE MET 101 4.225 4.746 -5.860 768 HE3 MET 101 3HE MET 101 2.704 5.325 -6.580 769 H ASP 102 H ASP 102 7.729 4.515 -7.957 770 HA ASP 102 HA ASP 102 8.031 6.196 -10.321 771 HB2 ASP 102 1HB ASP 102 9.981 4.829 -10.190 772 HB3 ASP 102 2HB ASP 102 9.079 3.437 -9.621 773 H THR 103 H THR 103 5.964 6.327 -11.239 774 HA THR 103 HA THR 103 4.069 4.196 -10.868 775 HB THR 103 HB THR 103 2.570 5.775 -12.023 776 HG1 THR 103 1HG THR 103 4.905 7.465 -12.375 777 HG21 THR 103 1HG2 THR 103 4.593 7.110 -10.164 778 HG22 THR 103 2HG2 THR 103 3.196 7.991 -10.829 779 HG23 THR 103 3HG2 THR 103 2.939 6.581 -9.773 780 H GLY 104 H GLY 104 5.631 5.714 -13.773 781 HA2 GLY 104 1HA GLY 104 6.169 3.217 -14.982 782 HA3 GLY 104 2HA GLY 104 4.670 3.863 -15.619 783 H ASN 105 H ASN 105 7.602 3.533 -16.675 784 HA ASN 105 HA ASN 105 8.701 4.542 -18.272 785 HB2 ASN 105 1HB ASN 105 6.312 6.046 -18.307 786 HB3 ASN 105 2HB ASN 105 7.556 7.270 -18.141 787 HD21 ASN 105 1HD2 ASN 105 6.039 7.196 -20.371 788 HD22 ASN 105 2HD2 ASN 105 6.953 6.685 -21.750 789 H GLN 106 H GLN 106 9.648 7.273 -18.454 790 HA GLN 106 HA GLN 106 11.346 7.287 -16.165 791 HB2 GLN 106 1HB GLN 106 11.192 8.934 -18.711 792 HB3 GLN 106 2HB GLN 106 12.289 9.375 -17.418 793 HG2 GLN 106 1HG GLN 106 13.755 7.746 -18.010 794 HG3 GLN 106 2HG GLN 106 12.508 6.518 -17.932 795 HE21 GLN 106 1HE2 GLN 106 14.385 6.216 -19.777 796 HE22 GLN 106 2HE2 GLN 106 13.808 6.536 -21.378 797 H ARG 107 H ARG 107 8.900 7.640 -15.092 798 HA ARG 107 HA ARG 107 8.891 10.493 -14.523 799 HB2 ARG 107 1HB ARG 107 6.695 8.766 -15.482 800 HB3 ARG 107 2HB ARG 107 6.270 9.589 -13.995 801 HG2 ARG 107 1HG ARG 107 7.643 11.318 -15.992 802 HG3 ARG 107 2HG ARG 107 6.091 10.703 -16.524 803 HD2 ARG 107 1HD ARG 107 5.471 11.469 -13.946 804 HD3 ARG 107 2HD ARG 107 6.713 12.641 -14.338 805 HE ARG 107 HE ARG 107 4.056 12.414 -15.586 806 HH11 ARG 107 2HH2 ARG 107 7.296 13.763 -15.841 807 HH12 ARG 107 1HH2 ARG 107 6.822 15.028 -16.925 808 HH21 ARG 107 2HH1 ARG 107 3.430 14.083 -17.017 809 HH22 ARG 107 1HH1 ARG 107 4.609 15.211 -17.599 810 H PHE 108 H PHE 108 8.377 11.052 -12.290 811 HA PHE 108 HA PHE 108 8.103 8.785 -10.475 812 HB2 PHE 108 1HB PHE 108 10.052 11.134 -10.121 813 HB3 PHE 108 2HB PHE 108 9.964 9.702 -9.115 814 HD1 PHE 108 2HD PHE 108 10.151 7.435 -10.689 815 HD2 PHE 108 1HD PHE 108 11.901 11.220 -11.475 816 HE1 PHE 108 2HE PHE 108 11.902 6.331 -12.109 817 HE2 PHE 108 1HE PHE 108 13.652 10.116 -12.895 818 HZ PHE 108 HZ PHE 108 13.631 7.684 -13.195 819 H GLU 109 H GLU 109 6.809 9.208 -8.688 820 HA GLU 109 HA GLU 109 5.773 11.930 -8.599 821 HB2 GLU 109 1HB GLU 109 4.494 9.297 -7.745 822 HB3 GLU 109 2HB GLU 109 3.767 10.868 -7.478 823 HG2 GLU 109 1HG GLU 109 4.037 11.246 -10.039 824 HG3 GLU 109 2HG GLU 109 4.376 9.530 -10.145 825 H CYS 110 H CYS 110 5.762 13.078 -6.638 826 HA CYS 110 HA CYS 110 7.086 11.684 -4.426 827 HB2 CYS 110 1HB CYS 110 8.445 13.494 -5.555 828 HB3 CYS 110 2HB CYS 110 7.251 14.655 -5.009 829 HG CYS 110 HG CYS 110 7.413 13.436 -2.442 830 H HIS 111 H HIS 111 5.347 11.109 -3.114 831 HA HIS 111 HA HIS 111 3.128 12.923 -2.869 832 HB2 HIS 111 1HB HIS 111 3.676 10.241 -1.568 833 HB3 HIS 111 2HB HIS 111 2.177 11.139 -1.440 834 HD1 HIS 111 1HD HIS 111 0.490 10.911 -3.338 835 HD2 HIS 111 2HD HIS 111 4.221 9.218 -4.239 836 HE1 HIS 111 1HE HIS 111 0.181 9.619 -5.516 837 H VAL 112 H VAL 112 2.448 13.936 -0.893 838 HA VAL 112 HA VAL 112 4.591 14.093 1.113 839 HB VAL 112 HB VAL 112 2.821 16.293 0.030 840 HG11 VAL 112 1HG1 VAL 112 3.088 17.324 1.991 841 HG12 VAL 112 2HG1 VAL 112 4.152 16.028 2.588 842 HG13 VAL 112 3HG1 VAL 112 4.837 17.386 1.663 843 HG21 VAL 112 1HG2 VAL 112 4.616 15.813 -1.500 844 HG22 VAL 112 2HG2 VAL 112 5.016 17.312 -0.627 845 HG23 VAL 112 3HG2 VAL 112 5.805 15.782 -0.175 846 H PHE 113 H PHE 113 3.962 13.958 3.265 847 HA PHE 113 HA PHE 113 1.118 14.027 3.839 848 HB2 PHE 113 1HB PHE 113 3.024 11.700 4.496 849 HB3 PHE 113 2HB PHE 113 1.343 11.782 4.985 850 HD1 PHE 113 1HD PHE 113 -0.446 11.693 3.217 851 HD2 PHE 113 2HD PHE 113 3.632 10.898 2.354 852 HE1 PHE 113 1HE PHE 113 -1.121 10.539 1.093 853 HE2 PHE 113 2HE PHE 113 2.957 9.744 0.229 854 HZ PHE 113 HZ PHE 113 0.589 9.578 -0.376 855 H TRP 114 H TRP 114 0.742 13.853 6.288 856 HA TRP 114 HA TRP 114 3.053 15.027 7.681 857 HB2 TRP 114 1HB TRP 114 1.317 16.686 7.243 858 HB3 TRP 114 2HB TRP 114 0.117 15.669 8.015 859 HD1 TRP 114 HD TRP 114 0.718 15.164 10.796 860 HE1 TRP 114 1HE TRP 114 1.589 16.812 12.664 861 HE3 TRP 114 3HE TRP 114 2.627 18.622 7.594 862 HZ2 TRP 114 2HZ TRP 114 2.948 19.321 12.594 863 HZ3 TRP 114 3HZ TRP 114 3.709 20.642 8.576 864 HH2 TRP 114 HH TRP 114 3.886 21.020 10.984 865 H CYS 115 H CYS 115 3.848 13.566 9.130 866 HA CYS 115 HA CYS 115 1.939 11.649 10.243 867 HB2 CYS 115 1HB CYS 115 4.941 11.337 10.335 868 HB3 CYS 115 2HB CYS 115 3.705 10.108 10.516 869 HG CYS 115 HG CYS 115 4.626 11.846 7.862 870 H GLU 116 H GLU 116 2.068 11.234 12.584 871 HA GLU 116 HA GLU 116 3.613 13.192 14.054 872 HB2 GLU 116 1HB GLU 116 0.611 12.763 14.374 873 HB3 GLU 116 2HB GLU 116 1.596 13.642 15.527 874 HG2 GLU 116 1HG GLU 116 2.093 15.383 13.967 875 HG3 GLU 116 2HG GLU 116 1.635 14.404 12.587 876 HA PRO 117 HA PRO 117 3.492 13.681 16.120 877 HB2 PRO 117 1HB PRO 117 5.462 13.570 18.011 878 HB3 PRO 117 2HB PRO 117 3.755 13.559 18.405 879 HG2 PRO 117 1HG PRO 117 5.680 11.316 18.443 880 HG3 PRO 117 2HG PRO 117 4.113 11.431 19.221 881 HD2 PRO 117 1HD PRO 117 4.740 9.973 16.832 882 HD3 PRO 117 2HD PRO 117 3.153 10.184 17.545 883 H ASN 118 H ASN 118 5.489 11.330 14.867 884 HA ASN 118 HA ASN 118 6.925 13.391 13.491 885 HB2 ASN 118 1HB ASN 118 9.135 12.043 13.969 886 HB3 ASN 118 2HB ASN 118 8.559 13.151 15.199 887 HD21 ASN 118 1HD2 ASN 118 9.838 11.851 16.637 888 HD22 ASN 118 2HD2 ASN 118 9.194 10.398 17.326 889 H ALA 119 H ALA 119 8.046 12.451 11.537 890 HA ALA 119 HA ALA 119 6.698 10.021 10.680 891 HB1 ALA 119 1HB ALA 119 7.618 10.711 8.446 892 HB2 ALA 119 2HB ALA 119 6.584 11.947 9.203 893 HB3 ALA 119 3HB ALA 119 8.355 12.127 9.234 894 H ALA 120 H ALA 120 8.659 9.705 12.762 895 HA ALA 120 HA ALA 120 11.064 8.798 11.432 896 HB1 ALA 120 1HB ALA 120 10.707 8.144 14.278 897 HB2 ALA 120 2HB ALA 120 11.999 9.067 13.472 898 HB3 ALA 120 3HB ALA 120 10.478 9.874 13.924 899 H ASN 121 H ASN 121 8.136 7.502 13.071 900 HA ASN 121 HA ASN 121 9.067 4.838 12.897 901 HB2 ASN 121 1HB ASN 121 6.666 6.279 13.882 902 HB3 ASN 121 2HB ASN 121 6.272 4.725 13.176 903 HD21 ASN 121 1HD2 ASN 121 5.662 3.981 15.226 904 HD22 ASN 121 2HD2 ASN 121 6.819 3.481 16.414 905 H VAL 122 H VAL 122 6.865 7.034 11.068 906 HA VAL 122 HA VAL 122 5.803 5.092 9.347 907 HB VAL 122 HB VAL 122 6.056 8.075 9.369 908 HG11 VAL 122 1HG1 VAL 122 5.577 6.380 6.984 909 HG12 VAL 122 2HG1 VAL 122 4.418 7.708 7.235 910 HG13 VAL 122 3HG1 VAL 122 6.159 8.057 7.106 911 HG21 VAL 122 1HG2 VAL 122 3.480 7.711 9.133 912 HG22 VAL 122 2HG2 VAL 122 3.852 6.040 9.619 913 HG23 VAL 122 3HG2 VAL 122 4.273 7.394 10.695 914 H SER 123 H SER 123 8.330 7.624 8.671 915 HA SER 123 HA SER 123 9.071 6.712 6.248 916 HB2 SER 123 1HB SER 123 9.974 8.779 7.021 917 HB3 SER 123 2HB SER 123 10.643 8.052 8.469 918 HG SER 123 HG SER 123 11.837 8.403 6.055 919 H GLU 124 H GLU 124 10.081 5.532 9.492 920 HA GLU 124 HA GLU 124 12.103 3.860 8.560 921 HB2 GLU 124 1HB GLU 124 10.518 4.140 11.098 922 HB3 GLU 124 2HB GLU 124 11.414 2.651 10.874 923 HG2 GLU 124 1HG GLU 124 12.874 5.207 10.265 924 HG3 GLU 124 2HG GLU 124 12.520 4.887 11.951 925 H ALA 125 H ALA 125 8.687 3.132 9.586 926 HA ALA 125 HA ALA 125 8.685 0.454 9.005 927 HB1 ALA 125 1HB ALA 125 6.662 0.862 9.901 928 HB2 ALA 125 2HB ALA 125 6.767 2.591 9.492 929 HB3 ALA 125 3HB ALA 125 6.139 1.430 8.298 930 H VAL 126 H VAL 126 8.456 3.280 6.830 931 HA VAL 126 HA VAL 126 7.702 1.711 4.568 932 HB VAL 126 HB VAL 126 8.743 4.531 4.891 933 HG11 VAL 126 1HG1 VAL 126 8.721 4.855 2.663 934 HG12 VAL 126 2HG1 VAL 126 8.849 3.083 2.561 935 HG13 VAL 126 3HG1 VAL 126 7.257 3.868 2.435 936 HG21 VAL 126 1HG2 VAL 126 6.671 4.843 5.708 937 HG22 VAL 126 2HG2 VAL 126 6.134 4.670 4.020 938 HG23 VAL 126 3HG2 VAL 126 6.097 3.267 5.114 939 H GLN 127 H GLN 127 10.752 3.271 5.757 940 HA GLN 127 HA GLN 127 12.302 2.450 3.629 941 HB2 GLN 127 1HB GLN 127 13.015 3.061 6.526 942 HB3 GLN 127 2HB GLN 127 14.225 2.768 5.293 943 HG2 GLN 127 1HG GLN 127 12.293 4.685 4.278 944 HG3 GLN 127 2HG GLN 127 12.845 5.217 5.854 945 HE21 GLN 127 1HE2 GLN 127 13.779 6.972 4.628 946 HE22 GLN 127 2HE2 GLN 127 15.344 6.800 3.905 947 H ALA 128 H ALA 128 11.892 0.951 6.919 948 HA ALA 128 HA ALA 128 13.528 -1.174 6.711 949 HB1 ALA 128 1HB ALA 128 12.519 -1.411 8.707 950 HB2 ALA 128 2HB ALA 128 11.120 -0.448 8.176 951 HB3 ALA 128 3HB ALA 128 11.168 -2.198 7.858 952 H ALA 129 H ALA 129 10.539 -0.568 4.906 953 HA ALA 129 HA ALA 129 10.305 -3.276 3.999 954 HB1 ALA 129 1HB ALA 129 8.226 -2.467 3.710 955 HB2 ALA 129 2HB ALA 129 8.791 -0.791 3.918 956 HB3 ALA 129 3HB ALA 129 8.844 -1.555 2.312 957 H CYS 130 H CYS 130 11.216 -0.098 2.483 958 HA CYS 130 HA CYS 130 11.871 -1.051 0.017 959 HB2 CYS 130 1HB CYS 130 11.809 1.377 0.932 960 HB3 CYS 130 2HB CYS 130 13.492 1.122 1.347 961 HG CYS 130 HG CYS 130 13.187 -0.174 -1.428 962 H SER 131 H SER 131 14.150 -0.451 2.803 963 HA SER 131 HA SER 131 16.205 -1.159 3.123 964 HB2 SER 131 1HB SER 131 14.444 -3.116 3.696 965 HB3 SER 131 2HB SER 131 15.356 -3.970 2.467 966 HG SER 131 HG SER 131 16.028 -3.876 4.958 967 H GLY 132 H GLY 132 17.276 -0.199 1.268 968 HA2 GLY 132 1HA GLY 132 18.480 -0.199 -0.631 969 HA3 GLY 132 2HA GLY 132 18.832 -1.876 -0.264 970 HA PRO 133 HA PRO 133 16.376 -1.777 -4.107 971 HB2 PRO 133 1HB PRO 133 18.201 -2.937 -5.778 972 HB3 PRO 133 2HB PRO 133 18.001 -1.202 -5.633 973 HG2 PRO 133 1HG PRO 133 20.155 -2.916 -4.554 974 HG3 PRO 133 2HG PRO 133 20.148 -1.179 -4.790 975 HD2 PRO 133 1HD PRO 133 19.830 -2.574 -2.304 976 HD3 PRO 133 2HD PRO 133 19.708 -0.845 -2.559 977 H SER 134 H SER 134 18.547 -4.335 -3.038 978 HA SER 134 HA SER 134 16.762 -6.299 -4.052 979 HB2 SER 134 1HB SER 134 19.268 -6.429 -2.330 980 HB3 SER 134 2HB SER 134 18.358 -7.863 -2.760 981 HG SER 134 HG SER 134 19.214 -7.827 -4.723 982 H SER 135 H SER 135 15.692 -7.966 -2.662 983 HA SER 135 HA SER 135 14.329 -6.713 -0.554 984 HB2 SER 135 1HB SER 135 14.236 -9.284 -2.007 985 HB3 SER 135 2HB SER 135 13.808 -9.448 -0.316 986 HG SER 135 HG SER 135 11.901 -8.632 -0.807 987 H GLY 136 H GLY 136 16.556 -9.597 -0.664 988 HA2 GLY 136 1HA GLY 136 18.397 -9.673 0.889 989 HA3 GLY 136 2HA GLY 136 17.369 -8.934 2.100 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -12.273 -22.815 -22.976 2 HA2 GLY 1 1HA GLY 1 -14.660 -21.422 -22.074 3 HA3 GLY 1 2HA GLY 1 -14.541 -23.105 -21.602 4 H SER 2 H SER 2 -13.041 -23.767 -20.015 5 HA SER 2 HA SER 2 -11.773 -23.559 -18.267 6 HB2 SER 2 1HB SER 2 -10.458 -21.555 -20.115 7 HB3 SER 2 2HB SER 2 -9.855 -21.747 -18.481 8 HG SER 2 HG SER 2 -10.203 -23.951 -20.327 9 H SER 3 H SER 3 -11.031 -21.991 -16.409 10 HA SER 3 HA SER 3 -12.688 -19.618 -16.359 11 HB2 SER 3 1HB SER 3 -13.827 -21.705 -15.256 12 HB3 SER 3 2HB SER 3 -12.654 -21.492 -13.972 13 HG SER 3 HG SER 3 -14.958 -20.280 -14.107 14 H GLY 4 H GLY 4 -10.450 -21.685 -14.357 15 HA2 GLY 4 1HA GLY 4 -8.580 -21.181 -13.218 16 HA3 GLY 4 2HA GLY 4 -8.343 -19.848 -14.331 17 H SER 5 H SER 5 -7.940 -18.019 -13.158 18 HA SER 5 HA SER 5 -8.240 -16.364 -11.785 19 HB2 SER 5 1HB SER 5 -10.720 -16.709 -12.567 20 HB3 SER 5 2HB SER 5 -10.979 -17.380 -10.970 21 HG SER 5 HG SER 5 -10.181 -14.706 -11.683 22 H SER 6 H SER 6 -6.728 -16.768 -10.167 23 HA SER 6 HA SER 6 -7.799 -17.896 -7.753 24 HB2 SER 6 1HB SER 6 -5.718 -19.363 -7.490 25 HB3 SER 6 2HB SER 6 -6.908 -19.920 -8.650 26 HG SER 6 HG SER 6 -5.054 -20.067 -9.816 27 H GLY 7 H GLY 7 -6.686 -17.118 -5.863 28 HA2 GLY 7 1HA GLY 7 -4.341 -15.415 -6.307 29 HA3 GLY 7 2HA GLY 7 -5.784 -14.678 -5.640 30 HA PRO 8 HA PRO 8 -3.557 -17.483 -2.515 31 HB2 PRO 8 1HB PRO 8 -0.934 -16.756 -2.268 32 HB3 PRO 8 2HB PRO 8 -1.459 -18.149 -3.193 33 HG2 PRO 8 1HG PRO 8 -0.527 -15.519 -4.170 34 HG3 PRO 8 2HG PRO 8 -0.646 -17.035 -5.042 35 HD2 PRO 8 1HD PRO 8 -2.436 -14.802 -5.230 36 HD3 PRO 8 2HD PRO 8 -2.618 -16.359 -6.012 37 H THR 9 H THR 9 -2.336 -16.867 -0.337 38 HA THR 9 HA THR 9 -3.039 -14.063 0.192 39 HB THR 9 HB THR 9 -4.236 -14.745 2.200 40 HG1 THR 9 1HG THR 9 -3.290 -17.393 1.350 41 HG21 THR 9 1HG2 THR 9 -6.109 -15.705 1.235 42 HG22 THR 9 2HG2 THR 9 -5.218 -15.435 -0.282 43 HG23 THR 9 3HG2 THR 9 -5.167 -17.029 0.507 44 HA PRO 10 HA PRO 10 1.013 -14.314 1.750 45 HB2 PRO 10 1HB PRO 10 1.401 -11.627 2.067 46 HB3 PRO 10 2HB PRO 10 1.696 -12.467 0.557 47 HG2 PRO 10 1HG PRO 10 -0.556 -10.695 1.284 48 HG3 PRO 10 2HG PRO 10 -0.020 -11.191 -0.309 49 HD2 PRO 10 1HD PRO 10 -2.292 -12.193 1.127 50 HD3 PRO 10 2HD PRO 10 -1.689 -12.769 -0.414 51 H LYS 11 H LYS 11 2.267 -13.200 3.685 52 HA LYS 11 HA LYS 11 0.324 -13.154 5.886 53 HB2 LYS 11 1HB LYS 11 2.735 -14.849 5.498 54 HB3 LYS 11 2HB LYS 11 2.528 -14.158 7.095 55 HG2 LYS 11 1HG LYS 11 -0.034 -15.155 6.122 56 HG3 LYS 11 2HG LYS 11 1.175 -16.416 5.988 57 HD2 LYS 11 1HD LYS 11 1.271 -16.706 8.245 58 HD3 LYS 11 2HD LYS 11 1.430 -14.986 8.539 59 HE2 LYS 11 1HE LYS 11 -1.192 -15.030 7.829 60 HE3 LYS 11 2HE LYS 11 -1.057 -16.674 8.422 61 HZ1 LYS 11 1HZ LYS 11 -0.468 -15.930 10.507 62 HZ2 LYS 11 2HZ LYS 11 -0.024 -14.443 10.000 63 HZ3 LYS 11 3HZ LYS 11 -1.605 -14.846 10.062 64 H THR 12 H THR 12 0.872 -11.765 7.674 65 HA THR 12 HA THR 12 3.231 -10.202 7.651 66 HB THR 12 HB THR 12 1.847 -9.280 5.655 67 HG1 THR 12 1HG THR 12 2.469 -7.720 8.064 68 HG21 THR 12 1HG2 THR 12 -0.388 -9.316 6.885 69 HG22 THR 12 2HG2 THR 12 0.259 -8.066 7.974 70 HG23 THR 12 3HG2 THR 12 0.050 -7.715 6.242 71 H GLU 13 H GLU 13 3.632 -9.544 9.681 72 HA GLU 13 HA GLU 13 1.737 -10.207 11.648 73 HB2 GLU 13 1HB GLU 13 4.398 -8.729 11.764 74 HB3 GLU 13 2HB GLU 13 3.461 -9.111 13.195 75 HG2 GLU 13 1HG GLU 13 3.817 -11.420 12.995 76 HG3 GLU 13 2HG GLU 13 4.026 -11.350 11.256 77 H LEU 14 H LEU 14 0.039 -8.737 10.460 78 HA LEU 14 HA LEU 14 -1.276 -6.966 10.532 79 HB2 LEU 14 1HB LEU 14 0.143 -6.766 13.149 80 HB3 LEU 14 2HB LEU 14 -0.853 -5.418 12.635 81 HG LEU 14 HG LEU 14 -1.800 -7.403 14.120 82 HD11 LEU 14 1HD1 LEU 14 -2.887 -5.270 12.955 83 HD12 LEU 14 2HD1 LEU 14 -3.697 -6.531 11.995 84 HD13 LEU 14 3HD1 LEU 14 -3.864 -6.517 13.767 85 HD21 LEU 14 1HD2 LEU 14 -2.425 -8.400 11.330 86 HD22 LEU 14 2HD2 LEU 14 -1.214 -9.125 12.413 87 HD23 LEU 14 3HD2 LEU 14 -2.932 -9.115 12.879 88 H VAL 15 H VAL 15 -1.279 -5.180 9.254 89 HA VAL 15 HA VAL 15 1.249 -4.126 8.450 90 HB VAL 15 HB VAL 15 0.067 -3.060 6.770 91 HG11 VAL 15 1HG1 VAL 15 -1.875 -5.300 7.350 92 HG12 VAL 15 2HG1 VAL 15 -1.263 -4.725 5.781 93 HG13 VAL 15 3HG1 VAL 15 -0.189 -5.622 6.880 94 HG21 VAL 15 1HG2 VAL 15 -2.661 -3.099 7.263 95 HG22 VAL 15 2HG2 VAL 15 -1.963 -2.672 8.844 96 HG23 VAL 15 3HG2 VAL 15 -1.586 -1.688 7.410 97 H GLN 16 H GLN 16 1.649 -1.700 8.400 98 HA GLN 16 HA GLN 16 0.883 -0.664 11.007 99 HB2 GLN 16 1HB GLN 16 3.325 -0.475 9.307 100 HB3 GLN 16 2HB GLN 16 2.889 1.002 10.144 101 HG2 GLN 16 1HG GLN 16 2.933 -0.111 12.310 102 HG3 GLN 16 2HG GLN 16 3.065 -1.691 11.565 103 HE21 GLN 16 1HE2 GLN 16 4.951 -1.855 9.949 104 HE22 GLN 16 2HE2 GLN 16 6.486 -1.268 10.495 105 H LYS 17 H LYS 17 -0.858 0.694 10.925 106 HA LYS 17 HA LYS 17 -1.108 2.385 8.543 107 HB2 LYS 17 1HB LYS 17 -3.082 1.103 10.396 108 HB3 LYS 17 2HB LYS 17 -3.515 2.621 9.634 109 HG2 LYS 17 1HG LYS 17 -3.230 1.708 7.415 110 HG3 LYS 17 2HG LYS 17 -2.404 0.287 8.023 111 HD2 LYS 17 1HD LYS 17 -4.872 0.272 9.390 112 HD3 LYS 17 2HD LYS 17 -5.291 0.799 7.772 113 HE2 LYS 17 1HE LYS 17 -3.868 -1.189 6.910 114 HE3 LYS 17 2HE LYS 17 -3.843 -1.763 8.566 115 HZ1 LYS 17 1HZ LYS 17 -6.421 -1.280 8.232 116 HZ2 LYS 17 2HZ LYS 17 -6.022 -1.696 6.704 117 HZ3 LYS 17 3HZ LYS 17 -5.733 -2.731 7.934 118 H PHE 18 H PHE 18 -0.741 4.535 8.718 119 HA PHE 18 HA PHE 18 -0.778 5.642 11.437 120 HB2 PHE 18 1HB PHE 18 1.082 6.133 9.035 121 HB3 PHE 18 2HB PHE 18 1.111 7.129 10.477 122 HD1 PHE 18 1HD PHE 18 1.558 5.899 12.721 123 HD2 PHE 18 2HD PHE 18 2.427 4.240 8.913 124 HE1 PHE 18 1HE PHE 18 3.187 4.313 13.784 125 HE2 PHE 18 2HE PHE 18 4.057 2.654 9.977 126 HZ PHE 18 HZ PHE 18 4.417 2.709 12.399 127 H ARG 19 H ARG 19 -2.396 7.112 11.623 128 HA ARG 19 HA ARG 19 -3.722 8.092 9.394 129 HB2 ARG 19 1HB ARG 19 -4.414 7.887 11.963 130 HB3 ARG 19 2HB ARG 19 -3.792 9.522 12.069 131 HG2 ARG 19 1HG ARG 19 -5.403 9.505 9.731 132 HG3 ARG 19 2HG ARG 19 -6.309 8.575 10.909 133 HD2 ARG 19 1HD ARG 19 -5.534 10.649 12.506 134 HD3 ARG 19 2HD ARG 19 -5.544 11.478 10.962 135 HE ARG 19 HE ARG 19 -7.952 10.042 11.023 136 HH11 ARG 19 2HH2 ARG 19 -6.428 12.520 13.003 137 HH12 ARG 19 1HH2 ARG 19 -7.930 13.202 13.531 138 HH21 ARG 19 2HH1 ARG 19 -9.934 10.942 11.719 139 HH22 ARG 19 1HH1 ARG 19 -9.937 12.298 12.796 140 H VAL 20 H VAL 20 -2.538 9.344 7.926 141 HA VAL 20 HA VAL 20 -1.272 11.743 9.056 142 HB VAL 20 HB VAL 20 0.425 11.587 7.342 143 HG11 VAL 20 1HG1 VAL 20 0.270 8.876 8.682 144 HG12 VAL 20 2HG1 VAL 20 1.718 9.823 8.263 145 HG13 VAL 20 3HG1 VAL 20 0.643 10.372 9.571 146 HG21 VAL 20 1HG2 VAL 20 0.620 9.713 5.821 147 HG22 VAL 20 2HG2 VAL 20 -0.820 8.940 6.526 148 HG23 VAL 20 3HG2 VAL 20 -0.982 10.463 5.618 149 H GLN 21 H GLN 21 -1.283 13.629 7.581 150 HA GLN 21 HA GLN 21 -3.779 13.653 6.156 151 HB2 GLN 21 1HB GLN 21 -1.869 15.729 7.209 152 HB3 GLN 21 2HB GLN 21 -2.935 16.189 5.897 153 HG2 GLN 21 1HG GLN 21 -4.917 15.624 7.189 154 HG3 GLN 21 2HG GLN 21 -3.962 14.837 8.430 155 HE21 GLN 21 1HE2 GLN 21 -5.519 17.622 7.522 156 HE22 GLN 21 2HE2 GLN 21 -4.814 18.761 8.619 157 H TYR 22 H TYR 22 -4.020 14.074 3.915 158 HA TYR 22 HA TYR 22 -1.635 13.480 2.366 159 HB2 TYR 22 1HB TYR 22 -4.189 12.581 2.268 160 HB3 TYR 22 2HB TYR 22 -4.464 14.054 1.358 161 HD1 TYR 22 2HD TYR 22 -1.321 13.586 0.350 162 HD2 TYR 22 1HD TYR 22 -5.056 11.513 0.099 163 HE1 TYR 22 2HE TYR 22 -0.540 12.420 -1.770 164 HE2 TYR 22 1HE TYR 22 -4.262 10.354 -2.020 165 HH TYR 22 HH TYR 22 -2.467 11.063 -3.893 166 H LEU 23 H LEU 23 -0.358 15.172 1.785 167 HA LEU 23 HA LEU 23 -1.478 17.804 1.585 168 HB2 LEU 23 1HB LEU 23 1.218 16.560 1.519 169 HB3 LEU 23 2HB LEU 23 1.029 18.087 0.681 170 HG LEU 23 HG LEU 23 -0.197 18.551 3.134 171 HD11 LEU 23 1HD1 LEU 23 1.463 16.287 3.482 172 HD12 LEU 23 2HD1 LEU 23 2.302 17.666 4.232 173 HD13 LEU 23 3HD1 LEU 23 0.642 17.258 4.727 174 HD21 LEU 23 1HD2 LEU 23 1.788 19.956 3.585 175 HD22 LEU 23 2HD2 LEU 23 2.622 19.180 2.219 176 HD23 LEU 23 3HD2 LEU 23 1.159 20.151 1.932 177 H GLY 24 H GLY 24 -0.115 15.316 -0.657 178 HA2 GLY 24 1HA GLY 24 -1.629 15.304 -2.731 179 HA3 GLY 24 2HA GLY 24 -1.049 16.946 -2.925 180 H MET 25 H MET 25 -0.555 15.070 -4.933 181 HA MET 25 HA MET 25 2.143 14.140 -4.470 182 HB2 MET 25 1HB MET 25 0.317 12.706 -5.566 183 HB3 MET 25 2HB MET 25 0.321 13.820 -6.919 184 HG2 MET 25 1HG MET 25 2.927 12.550 -6.023 185 HG3 MET 25 2HG MET 25 1.813 11.630 -7.014 186 HE1 MET 25 1HE MET 25 0.808 14.106 -9.513 187 HE2 MET 25 2HE MET 25 1.734 12.778 -10.254 188 HE3 MET 25 3HE MET 25 0.668 12.454 -8.865 189 H LEU 26 H LEU 26 3.961 15.060 -5.391 190 HA LEU 26 HA LEU 26 3.477 17.165 -7.378 191 HB2 LEU 26 1HB LEU 26 3.927 18.005 -5.039 192 HB3 LEU 26 2HB LEU 26 5.530 17.309 -5.173 193 HG LEU 26 HG LEU 26 4.783 19.091 -7.407 194 HD11 LEU 26 1HD1 LEU 26 3.727 20.101 -5.279 195 HD12 LEU 26 2HD1 LEU 26 5.405 20.431 -4.784 196 HD13 LEU 26 3HD1 LEU 26 4.767 21.132 -6.291 197 HD21 LEU 26 1HD2 LEU 26 7.209 19.251 -5.624 198 HD22 LEU 26 2HD2 LEU 26 7.050 18.004 -6.885 199 HD23 LEU 26 3HD2 LEU 26 7.032 19.728 -7.330 200 HA PRO 27 HA PRO 27 6.345 14.732 -9.552 201 HB2 PRO 27 1HB PRO 27 6.457 16.229 -11.836 202 HB3 PRO 27 2HB PRO 27 5.210 15.036 -11.533 203 HG2 PRO 27 1HG PRO 27 5.023 17.984 -11.411 204 HG3 PRO 27 2HG PRO 27 3.732 16.806 -11.533 205 HD2 PRO 27 1HD PRO 27 4.524 18.248 -9.183 206 HD3 PRO 27 2HD PRO 27 3.310 16.987 -9.280 207 H VAL 28 H VAL 28 8.540 14.584 -10.116 208 HA VAL 28 HA VAL 28 9.990 17.082 -9.671 209 HB VAL 28 HB VAL 28 11.605 15.880 -8.254 210 HG11 VAL 28 1HG1 VAL 28 10.441 16.222 -6.280 211 HG12 VAL 28 2HG1 VAL 28 9.468 17.163 -7.437 212 HG13 VAL 28 3HG1 VAL 28 8.927 15.545 -6.927 213 HG21 VAL 28 1HG2 VAL 28 9.556 13.638 -8.274 214 HG22 VAL 28 2HG2 VAL 28 11.165 13.592 -9.033 215 HG23 VAL 28 3HG2 VAL 28 11.019 13.711 -7.263 216 H ASP 29 H ASP 29 12.432 16.669 -10.281 217 HA ASP 29 HA ASP 29 12.302 15.340 -12.838 218 HB2 ASP 29 1HB ASP 29 13.652 17.649 -11.748 219 HB3 ASP 29 2HB ASP 29 14.880 16.531 -12.307 220 H ARG 30 H ARG 30 14.376 15.559 -9.853 221 HA ARG 30 HA ARG 30 15.858 13.266 -10.687 222 HB2 ARG 30 1HB ARG 30 15.975 15.215 -8.377 223 HB3 ARG 30 2HB ARG 30 16.784 13.672 -8.190 224 HG2 ARG 30 1HG ARG 30 17.780 14.251 -10.603 225 HG3 ARG 30 2HG ARG 30 17.372 15.895 -10.153 226 HD2 ARG 30 1HD ARG 30 18.642 15.406 -7.920 227 HD3 ARG 30 2HD ARG 30 19.280 13.992 -8.736 228 HE ARG 30 HE ARG 30 20.687 15.386 -9.973 229 HH11 ARG 30 2HH2 ARG 30 18.024 17.304 -8.704 230 HH12 ARG 30 1HH2 ARG 30 18.676 18.810 -9.259 231 HH21 ARG 30 2HH1 ARG 30 21.547 17.372 -10.706 232 HH22 ARG 30 1HH1 ARG 30 20.693 18.848 -10.406 233 HA PRO 31 HA PRO 31 13.334 10.474 -8.463 234 HB2 PRO 31 1HB PRO 31 14.934 8.260 -8.520 235 HB3 PRO 31 2HB PRO 31 13.907 8.734 -9.858 236 HG2 PRO 31 1HG PRO 31 16.840 8.989 -9.593 237 HG3 PRO 31 2HG PRO 31 15.859 9.053 -11.043 238 HD2 PRO 31 1HD PRO 31 17.037 11.277 -9.668 239 HD3 PRO 31 2HD PRO 31 15.962 11.350 -11.050 240 H VAL 32 H VAL 32 16.523 11.245 -7.437 241 HA VAL 32 HA VAL 32 15.645 10.619 -4.708 242 HB VAL 32 HB VAL 32 17.922 9.908 -4.190 243 HG11 VAL 32 1HG1 VAL 32 17.101 7.871 -4.575 244 HG12 VAL 32 2HG1 VAL 32 16.043 8.498 -5.861 245 HG13 VAL 32 3HG1 VAL 32 17.700 7.978 -6.247 246 HG21 VAL 32 1HG2 VAL 32 19.693 10.072 -5.574 247 HG22 VAL 32 2HG2 VAL 32 18.759 9.552 -6.997 248 HG23 VAL 32 3HG2 VAL 32 18.686 11.246 -6.456 249 H GLY 33 H GLY 33 17.400 11.785 -3.142 250 HA2 GLY 33 1HA GLY 33 18.791 13.724 -2.937 251 HA3 GLY 33 2HA GLY 33 17.901 14.479 -4.244 252 H MET 34 H MET 34 18.387 15.069 -1.196 253 HA MET 34 HA MET 34 15.724 14.986 -0.174 254 HB2 MET 34 1HB MET 34 18.351 16.222 0.813 255 HB3 MET 34 2HB MET 34 16.867 16.294 1.742 256 HG2 MET 34 1HG MET 34 18.267 13.730 0.835 257 HG3 MET 34 2HG MET 34 18.295 14.383 2.462 258 HE1 MET 34 1HE MET 34 14.545 14.775 3.098 259 HE2 MET 34 2HE MET 34 15.621 13.886 4.202 260 HE3 MET 34 3HE MET 34 16.204 15.353 3.381 261 H ASP 35 H ASP 35 17.957 17.377 -1.636 262 HA ASP 35 HA ASP 35 16.810 19.694 -0.951 263 HB2 ASP 35 1HB ASP 35 18.356 18.668 -3.228 264 HB3 ASP 35 2HB ASP 35 17.280 19.955 -3.733 265 H THR 36 H THR 36 16.051 17.869 -4.026 266 HA THR 36 HA THR 36 13.772 19.344 -4.665 267 HB THR 36 HB THR 36 14.923 16.628 -5.401 268 HG1 THR 36 1HG THR 36 14.868 17.990 -7.472 269 HG21 THR 36 1HG2 THR 36 12.135 17.441 -5.728 270 HG22 THR 36 2HG2 THR 36 12.949 17.406 -7.311 271 HG23 THR 36 3HG2 THR 36 12.929 15.949 -6.288 272 H LEU 37 H LEU 37 14.209 16.457 -2.590 273 HA LEU 37 HA LEU 37 11.565 15.728 -2.356 274 HB2 LEU 37 1HB LEU 37 13.524 14.470 -1.547 275 HB3 LEU 37 2HB LEU 37 13.733 15.633 -0.253 276 HG LEU 37 HG LEU 37 11.118 14.873 0.113 277 HD11 LEU 37 1HD1 LEU 37 10.653 12.800 -0.575 278 HD12 LEU 37 2HD1 LEU 37 12.023 13.001 -1.693 279 HD13 LEU 37 3HD1 LEU 37 12.263 12.188 -0.128 280 HD21 LEU 37 1HD2 LEU 37 13.136 15.085 1.708 281 HD22 LEU 37 2HD2 LEU 37 11.847 13.925 2.110 282 HD23 LEU 37 3HD2 LEU 37 13.373 13.348 1.398 283 H ASN 38 H ASN 38 13.376 17.712 0.096 284 HA ASN 38 HA ASN 38 11.216 18.509 1.493 285 HB2 ASN 38 1HB ASN 38 13.783 20.042 0.839 286 HB3 ASN 38 2HB ASN 38 12.638 20.593 2.045 287 HD21 ASN 38 1HD2 ASN 38 14.924 18.115 1.136 288 HD22 ASN 38 2HD2 ASN 38 15.139 17.389 2.694 289 H SER 39 H SER 39 12.896 20.335 -1.187 290 HA SER 39 HA SER 39 11.408 22.508 -1.371 291 HB2 SER 39 1HB SER 39 13.030 20.937 -3.184 292 HB3 SER 39 2HB SER 39 11.661 21.576 -4.071 293 HG SER 39 HG SER 39 12.362 23.671 -2.746 294 H ALA 40 H ALA 40 10.523 19.254 -2.689 295 HA ALA 40 HA ALA 40 8.180 19.995 -3.966 296 HB1 ALA 40 1HB ALA 40 8.117 17.781 -4.397 297 HB2 ALA 40 2HB ALA 40 9.635 17.665 -3.474 298 HB3 ALA 40 3HB ALA 40 8.077 17.368 -2.666 299 H ILE 41 H ILE 41 8.687 18.761 -0.585 300 HA ILE 41 HA ILE 41 6.039 18.908 0.192 301 HB ILE 41 HB ILE 41 8.615 19.157 1.738 302 HG12 ILE 41 1HG1 ILE 41 6.722 16.809 1.653 303 HG13 ILE 41 2HG1 ILE 41 7.960 17.023 0.431 304 HG21 ILE 41 1HG2 ILE 41 7.122 18.504 3.713 305 HG22 ILE 41 2HG2 ILE 41 7.074 20.197 3.165 306 HG23 ILE 41 3HG2 ILE 41 5.763 19.079 2.718 307 HD11 ILE 41 1HD1 ILE 41 9.238 15.833 1.926 308 HD12 ILE 41 2HD1 ILE 41 9.471 17.434 2.668 309 HD13 ILE 41 3HD1 ILE 41 8.244 16.322 3.320 310 H GLU 42 H GLU 42 8.636 21.311 1.040 311 HA GLU 42 HA GLU 42 7.158 23.213 2.108 312 HB2 GLU 42 1HB GLU 42 9.579 23.274 0.341 313 HB3 GLU 42 2HB GLU 42 8.802 24.812 0.657 314 HG2 GLU 42 1HG GLU 42 8.833 23.696 3.192 315 HG3 GLU 42 2HG GLU 42 10.307 23.036 2.512 316 H ASN 43 H ASN 43 7.367 22.478 -1.402 317 HA ASN 43 HA ASN 43 6.042 24.720 -2.299 318 HB2 ASN 43 1HB ASN 43 7.170 22.469 -3.458 319 HB3 ASN 43 2HB ASN 43 5.468 22.154 -3.729 320 HD21 ASN 43 1HD2 ASN 43 6.601 22.391 -5.951 321 HD22 ASN 43 2HD2 ASN 43 6.463 23.940 -6.712 322 H LEU 44 H LEU 44 4.809 21.322 -1.766 323 HA LEU 44 HA LEU 44 2.123 21.946 -2.161 324 HB2 LEU 44 1HB LEU 44 3.681 19.697 -1.005 325 HB3 LEU 44 2HB LEU 44 1.980 19.779 -0.595 326 HG LEU 44 HG LEU 44 3.057 19.759 -3.427 327 HD11 LEU 44 1HD1 LEU 44 3.600 17.637 -2.656 328 HD12 LEU 44 2HD1 LEU 44 2.162 17.534 -1.612 329 HD13 LEU 44 3HD1 LEU 44 1.990 17.403 -3.378 330 HD21 LEU 44 1HD2 LEU 44 0.676 19.185 -3.986 331 HD22 LEU 44 2HD2 LEU 44 0.250 19.606 -2.309 332 HD23 LEU 44 3HD2 LEU 44 0.936 20.842 -3.390 333 H MET 45 H MET 45 4.169 21.872 0.810 334 HA MET 45 HA MET 45 2.393 22.105 2.746 335 HB2 MET 45 1HB MET 45 5.103 23.194 2.196 336 HB3 MET 45 2HB MET 45 4.233 24.152 3.378 337 HG2 MET 45 1HG MET 45 3.660 21.705 4.385 338 HG3 MET 45 2HG MET 45 5.145 21.285 3.556 339 HE1 MET 45 1HE MET 45 5.022 22.543 7.621 340 HE2 MET 45 2HE MET 45 3.786 21.822 6.562 341 HE3 MET 45 3HE MET 45 5.346 20.997 6.800 342 H THR 46 H THR 46 3.631 24.998 0.908 343 HA THR 46 HA THR 46 1.873 26.822 2.081 344 HB THR 46 HB THR 46 2.558 28.217 0.090 345 HG1 THR 46 1HG THR 46 3.311 27.064 -1.663 346 HG21 THR 46 1HG2 THR 46 4.237 27.408 2.078 347 HG22 THR 46 2HG2 THR 46 5.048 26.639 0.692 348 HG23 THR 46 3HG2 THR 46 4.797 28.401 0.711 349 H SER 47 H SER 47 1.446 24.536 -0.617 350 HA SER 47 HA SER 47 -0.973 25.773 -1.431 351 HB2 SER 47 1HB SER 47 0.087 22.989 -2.085 352 HB3 SER 47 2HB SER 47 -1.175 23.841 -2.953 353 HG SER 47 HG SER 47 1.624 24.546 -2.770 354 H SER 48 H SER 48 -3.043 25.367 -0.679 355 HA SER 48 HA SER 48 -4.666 24.551 0.506 356 HB2 SER 48 1HB SER 48 -3.153 21.902 0.453 357 HB3 SER 48 2HB SER 48 -4.850 22.100 0.841 358 HG SER 48 HG SER 48 -5.196 22.927 -1.330 359 H SER 49 H SER 49 -5.136 24.876 2.667 360 HA SER 49 HA SER 49 -3.094 25.279 4.462 361 HB2 SER 49 1HB SER 49 -6.022 24.667 5.062 362 HB3 SER 49 2HB SER 49 -4.898 25.437 6.163 363 HG SER 49 HG SER 49 -5.731 27.223 5.273 364 H LYS 50 H LYS 50 -3.466 24.069 6.857 365 HA LYS 50 HA LYS 50 -2.484 21.444 6.377 366 HB2 LYS 50 1HB LYS 50 -1.451 22.400 8.187 367 HB3 LYS 50 2HB LYS 50 -2.895 23.228 8.733 368 HG2 LYS 50 1HG LYS 50 -3.819 21.233 9.695 369 HG3 LYS 50 2HG LYS 50 -2.720 20.193 8.812 370 HD2 LYS 50 1HD LYS 50 -0.794 21.258 10.109 371 HD3 LYS 50 2HD LYS 50 -1.985 22.103 11.078 372 HE2 LYS 50 1HE LYS 50 -2.380 19.142 10.805 373 HE3 LYS 50 2HE LYS 50 -0.983 19.646 11.735 374 HZ1 LYS 50 1HZ LYS 50 -3.227 21.181 12.433 375 HZ2 LYS 50 2HZ LYS 50 -3.579 19.593 12.576 376 HZ3 LYS 50 3HZ LYS 50 -2.305 20.223 13.381 377 H GLU 51 H GLU 51 -5.503 22.824 7.831 378 HA GLU 51 HA GLU 51 -6.640 20.363 8.376 379 HB2 GLU 51 1HB GLU 51 -7.888 23.088 7.829 380 HB3 GLU 51 2HB GLU 51 -8.819 21.706 8.373 381 HG2 GLU 51 1HG GLU 51 -6.347 22.629 9.888 382 HG3 GLU 51 2HG GLU 51 -7.911 23.364 10.176 383 H ASP 52 H ASP 52 -6.494 22.343 5.412 384 HA ASP 52 HA ASP 52 -8.543 21.283 3.997 385 HB2 ASP 52 1HB ASP 52 -6.059 22.696 3.458 386 HB3 ASP 52 2HB ASP 52 -6.301 21.483 2.216 387 H TRP 53 H TRP 53 -5.289 19.962 4.741 388 HA TRP 53 HA TRP 53 -5.318 17.856 2.883 389 HB2 TRP 53 1HB TRP 53 -3.880 17.912 5.535 390 HB3 TRP 53 2HB TRP 53 -3.466 16.983 4.109 391 HD1 TRP 53 HD TRP 53 -3.935 19.715 2.145 392 HE1 TRP 53 1HE TRP 53 -1.994 21.493 1.965 393 HE3 TRP 53 3HE TRP 53 -1.556 18.326 6.419 394 HZ2 TRP 53 2HZ TRP 53 0.268 22.105 3.594 395 HZ3 TRP 53 3HZ TRP 53 0.512 19.565 7.052 396 HH2 TRP 53 HH TRP 53 1.428 21.396 5.718 397 HA PRO 54 HA PRO 54 -8.321 15.436 4.955 398 HB2 PRO 54 1HB PRO 54 -8.371 13.334 3.210 399 HB3 PRO 54 2HB PRO 54 -9.300 14.800 2.971 400 HG2 PRO 54 1HG PRO 54 -6.833 13.924 1.598 401 HG3 PRO 54 2HG PRO 54 -7.994 15.139 1.100 402 HD2 PRO 54 1HD PRO 54 -5.409 15.605 2.253 403 HD3 PRO 54 2HD PRO 54 -6.616 16.814 1.863 404 H SER 55 H SER 55 -8.412 13.936 6.566 405 HA SER 55 HA SER 55 -5.865 12.948 7.288 406 HB2 SER 55 1HB SER 55 -8.066 11.704 8.741 407 HB3 SER 55 2HB SER 55 -6.825 12.790 9.333 408 HG SER 55 HG SER 55 -9.119 13.566 9.466 409 H VAL 56 H VAL 56 -5.012 11.311 6.016 410 HA VAL 56 HA VAL 56 -6.813 9.074 5.397 411 HB VAL 56 HB VAL 56 -5.478 8.642 3.485 412 HG11 VAL 56 1HG1 VAL 56 -7.126 10.389 3.158 413 HG12 VAL 56 2HG1 VAL 56 -5.989 11.624 3.748 414 HG13 VAL 56 3HG1 VAL 56 -5.666 10.776 2.217 415 HG21 VAL 56 1HG2 VAL 56 -3.413 9.662 2.946 416 HG22 VAL 56 2HG2 VAL 56 -3.613 10.919 4.190 417 HG23 VAL 56 3HG2 VAL 56 -3.292 9.236 4.670 418 H ASN 57 H ASN 57 -5.388 6.938 5.101 419 HA ASN 57 HA ASN 57 -3.663 6.854 7.451 420 HB2 ASN 57 1HB ASN 57 -5.623 4.807 6.315 421 HB3 ASN 57 2HB ASN 57 -4.357 4.326 7.427 422 HD21 ASN 57 1HD2 ASN 57 -7.491 5.258 7.175 423 HD22 ASN 57 2HD2 ASN 57 -7.803 5.845 8.774 424 H MET 58 H MET 58 -1.656 5.689 7.192 425 HA MET 58 HA MET 58 -1.095 4.978 4.423 426 HB2 MET 58 1HB MET 58 0.239 6.827 5.672 427 HB3 MET 58 2HB MET 58 0.897 5.553 6.680 428 HG2 MET 58 1HG MET 58 2.525 5.361 5.089 429 HG3 MET 58 2HG MET 58 1.320 4.519 4.135 430 HE1 MET 58 1HE MET 58 2.059 8.994 4.158 431 HE2 MET 58 2HE MET 58 2.467 7.777 5.391 432 HE3 MET 58 3HE MET 58 3.537 8.017 3.989 433 H ASN 59 H ASN 59 -1.495 2.793 4.195 434 HA ASN 59 HA ASN 59 -0.956 1.034 6.357 435 HB2 ASN 59 1HB ASN 59 -2.839 0.691 4.708 436 HB3 ASN 59 2HB ASN 59 -1.662 0.438 3.434 437 HD21 ASN 59 1HD2 ASN 59 -3.751 -1.286 4.684 438 HD22 ASN 59 2HD2 ASN 59 -2.956 -2.755 5.143 439 H VAL 60 H VAL 60 0.808 -0.473 6.485 440 HA VAL 60 HA VAL 60 2.740 -0.380 4.286 441 HB VAL 60 HB VAL 60 3.401 -0.139 7.228 442 HG11 VAL 60 1HG1 VAL 60 5.050 -1.388 5.795 443 HG12 VAL 60 2HG1 VAL 60 5.250 0.098 4.834 444 HG13 VAL 60 3HG1 VAL 60 5.694 0.086 6.558 445 HG21 VAL 60 1HG2 VAL 60 2.381 1.921 6.302 446 HG22 VAL 60 2HG2 VAL 60 4.090 2.145 6.746 447 HG23 VAL 60 3HG2 VAL 60 3.632 1.952 5.037 448 H ALA 61 H ALA 61 2.462 -2.430 3.492 449 HA ALA 61 HA ALA 61 3.191 -4.586 5.267 450 HB1 ALA 61 1HB ALA 61 0.511 -4.017 5.066 451 HB2 ALA 61 2HB ALA 61 0.725 -5.189 3.744 452 HB3 ALA 61 3HB ALA 61 1.180 -5.630 5.407 453 H ASP 62 H ASP 62 3.415 -6.678 3.944 454 HA ASP 62 HA ASP 62 4.596 -7.608 2.352 455 HB2 ASP 62 1HB ASP 62 2.074 -7.169 1.465 456 HB3 ASP 62 2HB ASP 62 2.928 -6.243 0.248 457 H ALA 63 H ALA 63 5.840 -5.185 3.151 458 HA ALA 63 HA ALA 63 7.186 -3.530 2.523 459 HB1 ALA 63 1HB ALA 63 8.966 -4.412 1.433 460 HB2 ALA 63 2HB ALA 63 8.006 -5.911 1.390 461 HB3 ALA 63 3HB ALA 63 8.002 -4.811 -0.009 462 H THR 64 H THR 64 4.679 -2.732 1.990 463 HA THR 64 HA THR 64 5.034 -1.230 -0.479 464 HB THR 64 HB THR 64 2.671 -3.080 0.129 465 HG1 THR 64 1HG THR 64 4.058 -4.249 -1.151 466 HG21 THR 64 1HG2 THR 64 3.039 -1.291 -2.315 467 HG22 THR 64 2HG2 THR 64 1.593 -2.215 -1.841 468 HG23 THR 64 3HG2 THR 64 2.067 -0.768 -0.919 469 H VAL 65 H VAL 65 3.654 0.675 -0.604 470 HA VAL 65 HA VAL 65 2.697 1.448 2.066 471 HB VAL 65 HB VAL 65 4.445 2.838 0.085 472 HG11 VAL 65 1HG1 VAL 65 3.836 4.977 1.506 473 HG12 VAL 65 2HG1 VAL 65 2.873 4.526 0.079 474 HG13 VAL 65 3HG1 VAL 65 2.282 4.135 1.711 475 HG21 VAL 65 1HG2 VAL 65 5.138 3.731 2.559 476 HG22 VAL 65 2HG2 VAL 65 4.460 2.135 2.963 477 HG23 VAL 65 3HG2 VAL 65 5.803 2.263 1.802 478 H THR 66 H THR 66 0.502 1.252 1.915 479 HA THR 66 HA THR 66 -0.745 2.438 -0.477 480 HB THR 66 HB THR 66 -1.783 0.226 1.371 481 HG1 THR 66 1HG THR 66 -1.058 -1.089 -0.438 482 HG21 THR 66 1HG2 THR 66 -3.388 1.707 -0.160 483 HG22 THR 66 2HG2 THR 66 -2.649 0.775 -1.484 484 HG23 THR 66 3HG2 THR 66 -3.535 -0.067 -0.190 485 H VAL 67 H VAL 67 -1.725 4.328 -0.175 486 HA VAL 67 HA VAL 67 -2.277 5.149 2.545 487 HB VAL 67 HB VAL 67 -2.523 6.586 -0.106 488 HG11 VAL 67 1HG1 VAL 67 -3.109 7.383 2.710 489 HG12 VAL 67 2HG1 VAL 67 -2.300 8.578 1.668 490 HG13 VAL 67 3HG1 VAL 67 -3.873 7.898 1.187 491 HG21 VAL 67 1HG2 VAL 67 -0.462 7.779 1.239 492 HG22 VAL 67 2HG2 VAL 67 -0.260 6.079 1.724 493 HG23 VAL 67 3HG2 VAL 67 -0.270 6.516 -0.001 494 H ILE 68 H ILE 68 -4.094 4.171 3.366 495 HA ILE 68 HA ILE 68 -6.413 3.943 1.629 496 HB ILE 68 HB ILE 68 -5.806 2.902 4.396 497 HG12 ILE 68 1HG1 ILE 68 -5.758 1.698 1.636 498 HG13 ILE 68 2HG1 ILE 68 -4.524 1.659 2.880 499 HG21 ILE 68 1HG2 ILE 68 -8.182 3.379 4.231 500 HG22 ILE 68 2HG2 ILE 68 -8.277 2.492 2.690 501 HG23 ILE 68 3HG2 ILE 68 -7.898 1.622 4.196 502 HD11 ILE 68 1HD1 ILE 68 -7.123 0.098 2.756 503 HD12 ILE 68 2HD1 ILE 68 -5.465 -0.513 2.969 504 HD13 ILE 68 3HD1 ILE 68 -6.278 0.338 4.304 505 H SER 69 H SER 69 -8.558 4.697 2.404 506 HA SER 69 HA SER 69 -8.286 7.359 3.335 507 HB2 SER 69 1HB SER 69 -9.967 7.139 1.720 508 HB3 SER 69 2HB SER 69 -10.538 5.611 2.360 509 HG SER 69 HG SER 69 -10.986 8.260 3.418 510 H GLU 70 H GLU 70 -10.006 8.130 5.098 511 HA GLU 70 HA GLU 70 -9.443 6.504 7.402 512 HB2 GLU 70 1HB GLU 70 -9.012 8.720 7.942 513 HB3 GLU 70 2HB GLU 70 -10.278 9.341 6.901 514 HG2 GLU 70 1HG GLU 70 -12.015 8.604 8.489 515 HG3 GLU 70 2HG GLU 70 -10.814 7.819 9.494 516 H LYS 71 H LYS 71 -12.258 7.815 5.561 517 HA LYS 71 HA LYS 71 -14.223 6.831 7.295 518 HB2 LYS 71 1HB LYS 71 -14.090 7.962 4.559 519 HB3 LYS 71 2HB LYS 71 -15.474 6.937 4.880 520 HG2 LYS 71 1HG LYS 71 -16.436 8.727 5.894 521 HG3 LYS 71 2HG LYS 71 -15.293 8.500 7.203 522 HD2 LYS 71 1HD LYS 71 -13.772 10.123 6.323 523 HD3 LYS 71 2HD LYS 71 -14.503 10.080 4.731 524 HE2 LYS 71 1HE LYS 71 -16.680 10.892 6.101 525 HE3 LYS 71 2HE LYS 71 -15.468 11.469 7.228 526 HZ1 LYS 71 1HZ LYS 71 -14.468 12.298 4.920 527 HZ2 LYS 71 2HZ LYS 71 -16.063 12.390 4.582 528 HZ3 LYS 71 3HZ LYS 71 -15.451 13.206 5.857 529 H ASN 72 H ASN 72 -13.170 5.527 4.065 530 HA ASN 72 HA ASN 72 -14.299 3.000 4.859 531 HB2 ASN 72 1HB ASN 72 -13.415 4.290 2.292 532 HB3 ASN 72 2HB ASN 72 -13.232 2.549 2.365 533 HD21 ASN 72 1HD2 ASN 72 -14.816 1.817 1.131 534 HD22 ASN 72 2HD2 ASN 72 -16.507 2.132 1.333 535 H GLU 73 H GLU 73 -12.910 0.963 4.396 536 HA GLU 73 HA GLU 73 -10.130 1.574 5.039 537 HB2 GLU 73 1HB GLU 73 -11.999 -0.612 5.960 538 HB3 GLU 73 2HB GLU 73 -10.278 -0.939 5.910 539 HG2 GLU 73 1HG GLU 73 -9.812 0.487 7.661 540 HG3 GLU 73 2HG GLU 73 -11.002 1.670 7.157 541 H GLU 74 H GLU 74 -12.410 -0.237 2.996 542 HA GLU 74 HA GLU 74 -10.418 -1.843 1.808 543 HB2 GLU 74 1HB GLU 74 -12.215 -2.437 0.194 544 HB3 GLU 74 2HB GLU 74 -12.763 -2.557 1.854 545 HG2 GLU 74 1HG GLU 74 -13.305 0.124 1.136 546 HG3 GLU 74 2HG GLU 74 -13.720 -0.798 -0.296 547 H GLU 75 H GLU 75 -11.522 1.452 1.410 548 HA GLU 75 HA GLU 75 -10.929 1.774 -1.283 549 HB2 GLU 75 1HB GLU 75 -12.092 3.329 0.603 550 HB3 GLU 75 2HB GLU 75 -10.501 4.064 0.610 551 HG2 GLU 75 1HG GLU 75 -10.621 4.553 -1.772 552 HG3 GLU 75 2HG GLU 75 -12.062 3.575 -1.964 553 H VAL 76 H VAL 76 -9.079 3.079 -2.210 554 HA VAL 76 HA VAL 76 -6.652 2.959 -0.610 555 HB VAL 76 HB VAL 76 -7.069 1.536 -3.242 556 HG11 VAL 76 1HG1 VAL 76 -4.477 2.136 -1.778 557 HG12 VAL 76 2HG1 VAL 76 -4.641 0.999 -3.137 558 HG13 VAL 76 3HG1 VAL 76 -4.964 2.732 -3.383 559 HG21 VAL 76 1HG2 VAL 76 -6.415 -0.455 -2.054 560 HG22 VAL 76 2HG2 VAL 76 -6.033 0.483 -0.591 561 HG23 VAL 76 3HG2 VAL 76 -7.720 0.339 -1.140 562 H LEU 77 H LEU 77 -6.608 5.227 -0.560 563 HA LEU 77 HA LEU 77 -7.163 6.861 -2.728 564 HB2 LEU 77 1HB LEU 77 -5.428 7.252 -0.292 565 HB3 LEU 77 2HB LEU 77 -5.762 8.528 -1.446 566 HG LEU 77 HG LEU 77 -8.064 7.066 -0.194 567 HD11 LEU 77 1HD1 LEU 77 -7.995 8.917 1.599 568 HD12 LEU 77 2HD1 LEU 77 -6.921 7.510 1.787 569 HD13 LEU 77 3HD1 LEU 77 -6.269 9.053 1.185 570 HD21 LEU 77 1HD2 LEU 77 -7.589 9.611 -1.632 571 HD22 LEU 77 2HD2 LEU 77 -9.004 8.531 -1.628 572 HD23 LEU 77 3HD2 LEU 77 -8.754 9.675 -0.287 573 H VAL 78 H VAL 78 -4.006 5.514 -1.562 574 HA VAL 78 HA VAL 78 -3.050 5.691 -4.300 575 HB VAL 78 HB VAL 78 -1.918 7.174 -1.949 576 HG11 VAL 78 1HG1 VAL 78 0.099 6.264 -2.451 577 HG12 VAL 78 2HG1 VAL 78 -0.405 5.774 -4.086 578 HG13 VAL 78 3HG1 VAL 78 0.067 7.461 -3.768 579 HG21 VAL 78 1HG2 VAL 78 -3.018 8.739 -3.179 580 HG22 VAL 78 2HG2 VAL 78 -1.498 8.737 -4.104 581 HG23 VAL 78 3HG2 VAL 78 -2.896 7.803 -4.688 582 H GLU 79 H GLU 79 -1.536 4.074 -4.803 583 HA GLU 79 HA GLU 79 -0.890 2.322 -2.563 584 HB2 GLU 79 1HB GLU 79 -2.719 1.338 -3.931 585 HB3 GLU 79 2HB GLU 79 -1.726 1.467 -5.370 586 HG2 GLU 79 1HG GLU 79 0.029 0.077 -3.906 587 HG3 GLU 79 2HG GLU 79 -1.399 -0.381 -3.000 588 H CYS 80 H CYS 80 1.281 2.735 -2.271 589 HA CYS 80 HA CYS 80 2.918 2.756 -4.700 590 HB2 CYS 80 1HB CYS 80 2.784 4.680 -2.714 591 HB3 CYS 80 2HB CYS 80 4.189 3.746 -2.240 592 HG CYS 80 HG CYS 80 5.653 4.859 -3.723 593 H ARG 81 H ARG 81 4.934 1.507 -4.618 594 HA ARG 81 HA ARG 81 4.917 -0.449 -2.463 595 HB2 ARG 81 1HB ARG 81 5.585 -0.925 -5.412 596 HB3 ARG 81 2HB ARG 81 5.760 -2.128 -4.151 597 HG2 ARG 81 1HG ARG 81 3.463 -2.443 -3.924 598 HG3 ARG 81 2HG ARG 81 3.079 -0.789 -4.359 599 HD2 ARG 81 1HD ARG 81 2.707 -1.399 -6.515 600 HD3 ARG 81 2HD ARG 81 4.329 -2.050 -6.646 601 HE ARG 81 HE ARG 81 2.851 -3.957 -5.184 602 HH11 ARG 81 2HH2 ARG 81 2.743 -2.513 -8.391 603 HH12 ARG 81 1HH2 ARG 81 2.026 -3.904 -9.133 604 HH21 ARG 81 2HH1 ARG 81 1.905 -5.793 -6.163 605 HH22 ARG 81 1HH1 ARG 81 1.546 -5.783 -7.857 606 H VAL 82 H VAL 82 6.980 -1.004 -1.596 607 HA VAL 82 HA VAL 82 8.988 0.906 -1.828 608 HB VAL 82 HB VAL 82 10.283 -0.584 -0.453 609 HG11 VAL 82 1HG1 VAL 82 7.941 -1.341 0.952 610 HG12 VAL 82 2HG1 VAL 82 8.965 0.091 1.214 611 HG13 VAL 82 3HG1 VAL 82 7.568 0.185 0.116 612 HG21 VAL 82 1HG2 VAL 82 8.591 -2.653 -1.709 613 HG22 VAL 82 2HG2 VAL 82 10.250 -2.753 -1.072 614 HG23 VAL 82 3HG2 VAL 82 8.862 -2.868 0.037 615 H ARG 83 H ARG 83 8.107 -1.758 -3.880 616 HA ARG 83 HA ARG 83 10.726 -2.128 -4.906 617 HB2 ARG 83 1HB ARG 83 9.653 -3.675 -6.482 618 HB3 ARG 83 2HB ARG 83 8.974 -3.937 -4.888 619 HG2 ARG 83 1HG ARG 83 6.928 -3.656 -5.836 620 HG3 ARG 83 2HG ARG 83 7.311 -1.949 -5.946 621 HD2 ARG 83 1HD ARG 83 7.723 -2.042 -8.219 622 HD3 ARG 83 2HD ARG 83 8.468 -3.626 -8.130 623 HE ARG 83 HE ARG 83 5.668 -3.066 -8.661 624 HH11 ARG 83 2HH2 ARG 83 7.838 -5.436 -7.227 625 HH12 ARG 83 1HH2 ARG 83 6.751 -6.764 -7.466 626 HH21 ARG 83 2HH1 ARG 83 4.234 -4.817 -8.976 627 HH22 ARG 83 1HH1 ARG 83 4.688 -6.409 -8.467 628 H PHE 84 H PHE 84 7.911 -0.087 -5.556 629 HA PHE 84 HA PHE 84 9.048 0.729 -8.120 630 HB2 PHE 84 1HB PHE 84 6.386 0.668 -6.723 631 HB3 PHE 84 2HB PHE 84 6.655 2.113 -7.678 632 HD1 PHE 84 1HD PHE 84 8.168 1.056 -9.973 633 HD2 PHE 84 2HD PHE 84 4.834 -0.576 -7.917 634 HE1 PHE 84 1HE PHE 84 7.500 -0.190 -12.046 635 HE2 PHE 84 2HE PHE 84 4.166 -1.823 -9.991 636 HZ PHE 84 HZ PHE 84 5.507 -1.615 -12.031 637 H LEU 85 H LEU 85 9.456 1.492 -4.924 638 HA LEU 85 HA LEU 85 9.182 4.340 -5.115 639 HB2 LEU 85 1HB LEU 85 9.451 2.383 -3.073 640 HB3 LEU 85 2HB LEU 85 10.790 3.501 -2.905 641 HG LEU 85 HG LEU 85 8.030 4.617 -3.249 642 HD11 LEU 85 1HD1 LEU 85 9.082 3.321 -0.728 643 HD12 LEU 85 2HD1 LEU 85 7.784 4.539 -0.734 644 HD13 LEU 85 3HD1 LEU 85 7.559 2.994 -1.590 645 HD21 LEU 85 1HD2 LEU 85 10.559 5.698 -2.812 646 HD22 LEU 85 2HD2 LEU 85 8.995 6.533 -2.663 647 HD23 LEU 85 3HD2 LEU 85 9.752 5.800 -1.229 648 H SER 86 H SER 86 10.979 5.867 -4.944 649 HA SER 86 HA SER 86 13.380 4.731 -6.150 650 HB2 SER 86 1HB SER 86 11.675 6.823 -7.066 651 HB3 SER 86 2HB SER 86 13.146 7.608 -6.527 652 HG SER 86 HG SER 86 13.262 6.949 -8.772 653 H PHE 87 H PHE 87 11.979 7.083 -3.818 654 HA PHE 87 HA PHE 87 14.031 6.733 -1.977 655 HB2 PHE 87 1HB PHE 87 15.267 8.042 -3.796 656 HB3 PHE 87 2HB PHE 87 14.082 9.323 -3.640 657 HD1 PHE 87 1HD PHE 87 16.705 7.490 -1.762 658 HD2 PHE 87 2HD PHE 87 14.352 11.011 -2.032 659 HE1 PHE 87 1HE PHE 87 18.095 8.557 0.035 660 HE2 PHE 87 2HE PHE 87 15.742 12.078 -0.235 661 HZ PHE 87 HZ PHE 87 17.597 10.838 0.777 662 H MET 88 H MET 88 13.951 8.663 -0.263 663 HA MET 88 HA MET 88 11.643 10.241 -0.269 664 HB2 MET 88 1HB MET 88 10.305 9.076 1.414 665 HB3 MET 88 2HB MET 88 10.662 7.910 0.155 666 HG2 MET 88 1HG MET 88 12.554 7.005 1.504 667 HG3 MET 88 2HG MET 88 12.249 8.195 2.753 668 HE1 MET 88 1HE MET 88 9.364 5.414 0.962 669 HE2 MET 88 2HE MET 88 11.107 5.519 0.619 670 HE3 MET 88 3HE MET 88 10.500 4.323 1.789 671 H GLY 89 H GLY 89 11.246 10.326 2.622 672 HA2 GLY 89 1HA GLY 89 13.218 10.359 4.365 673 HA3 GLY 89 2HA GLY 89 13.735 11.682 3.339 674 H VAL 90 H VAL 90 13.236 12.375 5.905 675 HA VAL 90 HA VAL 90 10.471 13.275 6.058 676 HB VAL 90 HB VAL 90 12.769 13.270 8.021 677 HG11 VAL 90 1HG1 VAL 90 10.235 13.728 9.280 678 HG12 VAL 90 2HG1 VAL 90 11.688 14.756 9.282 679 HG13 VAL 90 3HG1 VAL 90 10.466 14.944 8.001 680 HG21 VAL 90 1HG2 VAL 90 12.118 11.111 8.169 681 HG22 VAL 90 2HG2 VAL 90 10.779 11.777 9.134 682 HG23 VAL 90 3HG2 VAL 90 10.541 11.423 7.406 683 H GLY 91 H GLY 91 9.851 15.344 5.631 684 HA2 GLY 91 1HA GLY 91 11.575 17.126 4.339 685 HA3 GLY 91 2HA GLY 91 9.990 17.492 4.990 686 H LYS 92 H LYS 92 11.512 19.594 5.247 687 HA LYS 92 HA LYS 92 13.456 19.850 7.083 688 HB2 LYS 92 1HB LYS 92 11.127 21.701 6.515 689 HB3 LYS 92 2HB LYS 92 12.509 22.158 7.489 690 HG2 LYS 92 1HG LYS 92 13.024 20.949 4.771 691 HG3 LYS 92 2HG LYS 92 12.452 22.604 4.842 692 HD2 LYS 92 1HD LYS 92 14.363 22.924 6.644 693 HD3 LYS 92 2HD LYS 92 15.020 21.447 5.967 694 HE2 LYS 92 1HE LYS 92 14.489 22.840 3.656 695 HE3 LYS 92 2HE LYS 92 14.822 24.170 4.747 696 HZ1 LYS 92 1HZ LYS 92 16.940 23.424 5.108 697 HZ2 LYS 92 2HZ LYS 92 16.620 21.878 4.691 698 HZ3 LYS 92 3HZ LYS 92 16.741 23.027 3.537 699 H ASP 93 H ASP 93 9.914 19.611 7.741 700 HA ASP 93 HA ASP 93 10.452 19.717 10.554 701 HB2 ASP 93 1HB ASP 93 7.749 18.868 9.739 702 HB3 ASP 93 2HB ASP 93 8.229 20.217 10.748 703 H VAL 94 H VAL 94 9.625 17.901 12.005 704 HA VAL 94 HA VAL 94 10.307 15.353 10.838 705 HB VAL 94 HB VAL 94 10.175 14.565 13.147 706 HG11 VAL 94 1HG1 VAL 94 12.237 15.662 12.256 707 HG12 VAL 94 2HG1 VAL 94 11.693 17.189 12.990 708 HG13 VAL 94 3HG1 VAL 94 12.062 15.787 14.023 709 HG21 VAL 94 1HG2 VAL 94 8.724 15.577 14.521 710 HG22 VAL 94 2HG2 VAL 94 9.954 16.849 14.716 711 HG23 VAL 94 3HG2 VAL 94 8.661 17.040 13.508 712 H HIS 95 H HIS 95 7.557 17.246 10.892 713 HA HIS 95 HA HIS 95 5.806 14.926 11.210 714 HB2 HIS 95 1HB HIS 95 4.667 17.657 10.946 715 HB3 HIS 95 2HB HIS 95 4.152 16.311 11.943 716 HD1 HIS 95 1HD HIS 95 6.977 18.899 11.844 717 HD2 HIS 95 2HD HIS 95 4.847 16.543 14.585 718 HE1 HIS 95 1HE HIS 95 7.765 19.612 14.164 719 H THR 96 H THR 96 7.633 15.832 8.857 720 HA THR 96 HA THR 96 5.486 15.750 6.843 721 HB THR 96 HB THR 96 7.277 17.129 5.479 722 HG1 THR 96 1HG THR 96 8.425 18.457 7.276 723 HG21 THR 96 1HG2 THR 96 5.989 18.485 7.903 724 HG22 THR 96 2HG2 THR 96 6.469 19.264 6.376 725 HG23 THR 96 3HG2 THR 96 5.110 18.116 6.400 726 H PHE 97 H PHE 97 5.550 14.049 5.515 727 HA PHE 97 HA PHE 97 8.154 12.765 5.145 728 HB2 PHE 97 1HB PHE 97 6.837 11.502 6.845 729 HB3 PHE 97 2HB PHE 97 5.408 11.563 5.831 730 HD1 PHE 97 2HD PHE 97 8.961 10.431 5.505 731 HD2 PHE 97 1HD PHE 97 4.865 9.605 4.763 732 HE1 PHE 97 2HE PHE 97 9.591 8.226 4.486 733 HE2 PHE 97 1HE PHE 97 5.496 7.399 3.744 734 HZ PHE 97 HZ PHE 97 7.851 6.736 3.618 735 H ALA 98 H ALA 98 8.621 12.370 3.023 736 HA ALA 98 HA ALA 98 6.394 12.028 1.175 737 HB1 ALA 98 1HB ALA 98 7.851 14.468 1.461 738 HB2 ALA 98 2HB ALA 98 8.369 13.713 -0.065 739 HB3 ALA 98 3HB ALA 98 6.644 14.045 0.223 740 H PHE 99 H PHE 99 7.030 10.917 -0.796 741 HA PHE 99 HA PHE 99 9.764 9.952 -0.869 742 HB2 PHE 99 1HB PHE 99 8.929 7.592 -0.946 743 HB3 PHE 99 2HB PHE 99 8.431 8.348 0.554 744 HD1 PHE 99 1HD PHE 99 7.183 7.745 -2.910 745 HD2 PHE 99 2HD PHE 99 6.212 8.205 1.196 746 HE1 PHE 99 1HE PHE 99 4.793 7.162 -3.409 747 HE2 PHE 99 2HE PHE 99 3.823 7.622 0.697 748 HZ PHE 99 HZ PHE 99 3.141 7.107 -1.600 749 H ILE 100 H ILE 100 10.459 9.419 -2.962 750 HA ILE 100 HA ILE 100 8.628 10.247 -5.050 751 HB ILE 100 HB ILE 100 11.532 9.456 -5.262 752 HG12 ILE 100 1HG1 ILE 100 10.432 12.253 -4.875 753 HG13 ILE 100 2HG1 ILE 100 11.112 11.288 -3.580 754 HG21 ILE 100 1HG2 ILE 100 9.502 10.330 -7.155 755 HG22 ILE 100 2HG2 ILE 100 10.923 11.401 -7.151 756 HG23 ILE 100 3HG2 ILE 100 11.125 9.657 -7.440 757 HD11 ILE 100 1HD1 ILE 100 12.642 11.834 -6.156 758 HD12 ILE 100 2HD1 ILE 100 12.724 12.916 -4.745 759 HD13 ILE 100 3HD1 ILE 100 13.284 11.232 -4.610 760 H MET 101 H MET 101 7.577 8.890 -6.425 761 HA MET 101 HA MET 101 8.386 6.088 -6.270 762 HB2 MET 101 1HB MET 101 6.006 5.493 -6.475 763 HB3 MET 101 2HB MET 101 6.164 6.642 -5.162 764 HG2 MET 101 1HG MET 101 5.572 8.501 -6.800 765 HG3 MET 101 2HG MET 101 5.274 7.276 -8.016 766 HE1 MET 101 1HE MET 101 2.925 5.754 -8.034 767 HE2 MET 101 2HE MET 101 4.133 4.994 -6.971 768 HE3 MET 101 3HE MET 101 2.446 5.153 -6.429 769 H ASP 102 H ASP 102 7.637 4.783 -8.269 770 HA ASP 102 HA ASP 102 7.882 6.518 -10.601 771 HB2 ASP 102 1HB ASP 102 9.887 5.287 -10.614 772 HB3 ASP 102 2HB ASP 102 9.146 3.874 -9.890 773 H THR 103 H THR 103 6.049 6.406 -11.910 774 HA THR 103 HA THR 103 4.264 4.108 -11.527 775 HB THR 103 HB THR 103 2.560 5.673 -12.475 776 HG1 THR 103 1HG THR 103 3.402 7.410 -13.563 777 HG21 THR 103 1HG2 THR 103 4.149 6.282 -10.060 778 HG22 THR 103 2HG2 THR 103 3.434 7.743 -10.783 779 HG23 THR 103 3HG2 THR 103 2.388 6.386 -10.301 780 H GLY 104 H GLY 104 5.894 6.084 -14.070 781 HA2 GLY 104 1HA GLY 104 6.515 3.928 -15.695 782 HA3 GLY 104 2HA GLY 104 4.944 4.498 -16.223 783 H ASN 105 H ASN 105 7.655 4.613 -17.564 784 HA ASN 105 HA ASN 105 8.590 5.980 -18.981 785 HB2 ASN 105 1HB ASN 105 6.916 8.309 -17.924 786 HB3 ASN 105 2HB ASN 105 7.688 8.190 -19.492 787 HD21 ASN 105 1HD2 ASN 105 6.501 7.583 -21.132 788 HD22 ASN 105 2HD2 ASN 105 5.003 6.716 -21.079 789 H GLN 106 H GLN 106 9.556 8.630 -18.770 790 HA GLN 106 HA GLN 106 11.301 8.336 -16.520 791 HB2 GLN 106 1HB GLN 106 11.211 10.105 -18.968 792 HB3 GLN 106 2HB GLN 106 12.229 10.573 -17.620 793 HG2 GLN 106 1HG GLN 106 13.784 9.002 -18.142 794 HG3 GLN 106 2HG GLN 106 12.579 7.730 -18.181 795 HE21 GLN 106 1HE2 GLN 106 12.675 6.674 -20.001 796 HE22 GLN 106 2HE2 GLN 106 12.850 7.331 -21.594 797 H ARG 107 H ARG 107 8.762 8.715 -15.528 798 HA ARG 107 HA ARG 107 8.945 11.463 -14.594 799 HB2 ARG 107 1HB ARG 107 6.991 11.549 -15.937 800 HB3 ARG 107 2HB ARG 107 6.529 9.904 -15.552 801 HG2 ARG 107 1HG ARG 107 5.546 10.495 -13.526 802 HG3 ARG 107 2HG ARG 107 6.647 11.830 -13.251 803 HD2 ARG 107 1HD ARG 107 5.479 13.047 -15.200 804 HD3 ARG 107 2HD ARG 107 4.276 11.772 -15.173 805 HE ARG 107 HE ARG 107 4.504 12.677 -12.509 806 HH11 ARG 107 2HH2 ARG 107 3.566 14.019 -15.624 807 HH12 ARG 107 1HH2 ARG 107 2.478 15.180 -14.940 808 HH21 ARG 107 2HH1 ARG 107 3.068 14.208 -11.606 809 HH22 ARG 107 1HH1 ARG 107 2.193 15.289 -12.639 810 H PHE 108 H PHE 108 8.704 11.731 -12.334 811 HA PHE 108 HA PHE 108 8.066 9.286 -10.842 812 HB2 PHE 108 1HB PHE 108 10.093 11.483 -10.125 813 HB3 PHE 108 2HB PHE 108 9.888 9.957 -9.288 814 HD1 PHE 108 2HD PHE 108 10.147 7.835 -10.949 815 HD2 PHE 108 1HD PHE 108 11.912 11.651 -11.520 816 HE1 PHE 108 2HE PHE 108 11.913 6.800 -12.401 817 HE2 PHE 108 1HE PHE 108 13.678 10.617 -12.972 818 HZ PHE 108 HZ PHE 108 13.658 8.204 -13.396 819 H GLU 109 H GLU 109 6.682 9.532 -9.097 820 HA GLU 109 HA GLU 109 5.690 12.242 -8.746 821 HB2 GLU 109 1HB GLU 109 4.421 9.556 -8.051 822 HB3 GLU 109 2HB GLU 109 3.678 11.113 -7.745 823 HG2 GLU 109 1HG GLU 109 3.908 11.611 -10.249 824 HG3 GLU 109 2HG GLU 109 4.415 9.948 -10.467 825 H CYS 110 H CYS 110 5.641 13.235 -6.697 826 HA CYS 110 HA CYS 110 6.950 11.684 -4.582 827 HB2 CYS 110 1HB CYS 110 8.413 13.470 -5.501 828 HB3 CYS 110 2HB CYS 110 7.205 14.668 -5.082 829 HG CYS 110 HG CYS 110 7.080 13.886 -2.498 830 H HIS 111 H HIS 111 5.258 11.094 -3.238 831 HA HIS 111 HA HIS 111 3.020 12.879 -2.947 832 HB2 HIS 111 1HB HIS 111 3.635 10.140 -1.808 833 HB3 HIS 111 2HB HIS 111 2.164 11.029 -1.465 834 HD1 HIS 111 1HD HIS 111 0.273 10.830 -3.134 835 HD2 HIS 111 2HD HIS 111 3.928 9.440 -4.653 836 HE1 HIS 111 1HE HIS 111 -0.255 9.738 -5.379 837 H VAL 112 H VAL 112 2.405 13.962 -1.027 838 HA VAL 112 HA VAL 112 4.538 14.067 0.994 839 HB VAL 112 HB VAL 112 2.694 16.263 0.030 840 HG11 VAL 112 1HG1 VAL 112 4.405 15.983 2.414 841 HG12 VAL 112 2HG1 VAL 112 4.679 17.476 1.483 842 HG13 VAL 112 3HG1 VAL 112 3.051 17.093 2.093 843 HG21 VAL 112 1HG2 VAL 112 4.279 16.038 -1.668 844 HG22 VAL 112 2HG2 VAL 112 4.995 17.281 -0.615 845 HG23 VAL 112 3HG2 VAL 112 5.580 15.602 -0.536 846 H PHE 113 H PHE 113 3.933 13.936 3.163 847 HA PHE 113 HA PHE 113 1.090 13.895 3.750 848 HB2 PHE 113 1HB PHE 113 3.107 11.659 4.396 849 HB3 PHE 113 2HB PHE 113 1.439 11.675 4.933 850 HD1 PHE 113 2HD PHE 113 -0.395 11.452 3.241 851 HD2 PHE 113 1HD PHE 113 3.688 10.903 2.221 852 HE1 PHE 113 2HE PHE 113 -1.080 10.250 1.147 853 HE2 PHE 113 1HE PHE 113 3.002 9.700 0.127 854 HZ PHE 113 HZ PHE 113 0.627 9.388 -0.385 855 H TRP 114 H TRP 114 0.688 13.857 6.158 856 HA TRP 114 HA TRP 114 2.956 15.125 7.537 857 HB2 TRP 114 1HB TRP 114 1.095 16.651 7.091 858 HB3 TRP 114 2HB TRP 114 -0.011 15.570 7.915 859 HD1 TRP 114 HD TRP 114 0.510 15.262 10.685 860 HE1 TRP 114 1HE TRP 114 1.373 16.975 12.497 861 HE3 TRP 114 3HE TRP 114 2.522 18.556 7.375 862 HZ2 TRP 114 2HZ TRP 114 2.769 19.459 12.346 863 HZ3 TRP 114 3HZ TRP 114 3.616 20.600 8.290 864 HH2 TRP 114 HH TRP 114 3.758 21.076 10.683 865 H CYS 115 H CYS 115 3.881 13.649 8.899 866 HA CYS 115 HA CYS 115 2.106 11.660 10.092 867 HB2 CYS 115 1HB CYS 115 5.129 11.553 10.075 868 HB3 CYS 115 2HB CYS 115 3.998 10.250 10.381 869 HG CYS 115 HG CYS 115 4.342 12.010 7.592 870 H GLU 116 H GLU 116 2.185 11.338 12.417 871 HA GLU 116 HA GLU 116 3.716 13.322 13.869 872 HB2 GLU 116 1HB GLU 116 0.705 12.966 13.977 873 HB3 GLU 116 2HB GLU 116 1.577 13.601 15.358 874 HG2 GLU 116 1HG GLU 116 2.636 15.077 13.228 875 HG3 GLU 116 2HG GLU 116 0.953 14.897 12.774 876 HA PRO 117 HA PRO 117 3.629 13.836 15.911 877 HB2 PRO 117 1HB PRO 117 5.619 13.740 17.782 878 HB3 PRO 117 2HB PRO 117 3.915 13.751 18.194 879 HG2 PRO 117 1HG PRO 117 5.820 11.492 18.253 880 HG3 PRO 117 2HG PRO 117 4.263 11.636 19.044 881 HD2 PRO 117 1HD PRO 117 4.851 10.129 16.675 882 HD3 PRO 117 2HD PRO 117 3.274 10.368 17.401 883 H ASN 118 H ASN 118 5.765 11.410 14.894 884 HA ASN 118 HA ASN 118 7.209 13.477 13.467 885 HB2 ASN 118 1HB ASN 118 9.348 12.085 13.861 886 HB3 ASN 118 2HB ASN 118 8.759 12.979 15.248 887 HD21 ASN 118 1HD2 ASN 118 10.020 11.444 16.461 888 HD22 ASN 118 2HD2 ASN 118 9.356 9.904 16.894 889 H ALA 119 H ALA 119 8.410 12.475 11.526 890 HA ALA 119 HA ALA 119 6.834 10.246 10.502 891 HB1 ALA 119 1HB ALA 119 6.812 12.002 8.964 892 HB2 ALA 119 2HB ALA 119 8.494 12.469 9.316 893 HB3 ALA 119 3HB ALA 119 8.158 11.006 8.359 894 H ALA 120 H ALA 120 9.012 10.009 12.605 895 HA ALA 120 HA ALA 120 11.221 8.814 11.226 896 HB1 ALA 120 1HB ALA 120 12.219 9.073 13.232 897 HB2 ALA 120 2HB ALA 120 10.740 9.918 13.749 898 HB3 ALA 120 3HB ALA 120 10.929 8.177 14.070 899 H ASN 121 H ASN 121 8.351 7.699 13.125 900 HA ASN 121 HA ASN 121 9.028 5.006 12.964 901 HB2 ASN 121 1HB ASN 121 6.269 6.313 13.240 902 HB3 ASN 121 2HB ASN 121 6.618 4.633 13.595 903 HD21 ASN 121 1HD2 ASN 121 5.513 6.168 15.502 904 HD22 ASN 121 2HD2 ASN 121 6.628 6.514 16.781 905 H VAL 122 H VAL 122 6.907 7.209 11.018 906 HA VAL 122 HA VAL 122 5.865 5.261 9.313 907 HB VAL 122 HB VAL 122 6.233 8.234 9.224 908 HG11 VAL 122 1HG1 VAL 122 6.579 7.524 6.911 909 HG12 VAL 122 2HG1 VAL 122 5.091 6.549 6.970 910 HG13 VAL 122 3HG1 VAL 122 4.999 8.322 7.090 911 HG21 VAL 122 1HG2 VAL 122 4.213 6.398 10.101 912 HG22 VAL 122 2HG2 VAL 122 4.235 8.174 10.209 913 HG23 VAL 122 3HG2 VAL 122 3.557 7.379 8.768 914 H SER 123 H SER 123 8.443 7.716 8.557 915 HA SER 123 HA SER 123 9.236 6.700 6.215 916 HB2 SER 123 1HB SER 123 10.197 8.750 6.973 917 HB3 SER 123 2HB SER 123 10.812 8.023 8.444 918 HG SER 123 HG SER 123 11.912 8.056 5.854 919 H GLU 124 H GLU 124 10.089 5.545 9.509 920 HA GLU 124 HA GLU 124 12.064 3.763 8.646 921 HB2 GLU 124 1HB GLU 124 10.474 4.179 11.170 922 HB3 GLU 124 2HB GLU 124 11.354 2.674 10.995 923 HG2 GLU 124 1HG GLU 124 12.943 5.059 10.227 924 HG3 GLU 124 2HG GLU 124 12.433 5.075 11.904 925 H ALA 125 H ALA 125 8.589 3.290 9.605 926 HA ALA 125 HA ALA 125 8.474 0.572 9.135 927 HB1 ALA 125 1HB ALA 125 6.235 0.847 9.537 928 HB2 ALA 125 2HB ALA 125 6.778 2.455 10.075 929 HB3 ALA 125 3HB ALA 125 6.100 2.244 8.443 930 H VAL 126 H VAL 126 8.570 3.320 6.904 931 HA VAL 126 HA VAL 126 7.673 1.727 4.676 932 HB VAL 126 HB VAL 126 8.790 4.529 4.896 933 HG11 VAL 126 1HG1 VAL 126 8.353 4.886 2.638 934 HG12 VAL 126 2HG1 VAL 126 9.025 3.238 2.643 935 HG13 VAL 126 3HG1 VAL 126 7.266 3.481 2.518 936 HG21 VAL 126 1HG2 VAL 126 5.926 3.673 4.394 937 HG22 VAL 126 2HG2 VAL 126 6.569 4.046 6.011 938 HG23 VAL 126 3HG2 VAL 126 6.539 5.305 4.753 939 H GLN 127 H GLN 127 10.745 3.367 5.716 940 HA GLN 127 HA GLN 127 12.270 2.407 3.648 941 HB2 GLN 127 1HB GLN 127 13.052 3.108 6.510 942 HB3 GLN 127 2HB GLN 127 14.215 2.825 5.230 943 HG2 GLN 127 1HG GLN 127 12.209 4.688 4.267 944 HG3 GLN 127 2HG GLN 127 12.798 5.250 5.819 945 HE21 GLN 127 1HE2 GLN 127 15.094 5.459 6.139 946 HE22 GLN 127 2HE2 GLN 127 16.136 5.857 4.813 947 H ALA 128 H ALA 128 11.611 0.998 6.916 948 HA ALA 128 HA ALA 128 13.301 -1.087 6.986 949 HB1 ALA 128 1HB ALA 128 10.986 -2.246 7.895 950 HB2 ALA 128 2HB ALA 128 11.986 -1.116 8.839 951 HB3 ALA 128 3HB ALA 128 10.560 -0.518 7.958 952 H ALA 129 H ALA 129 10.487 -0.662 4.837 953 HA ALA 129 HA ALA 129 10.595 -3.379 3.913 954 HB1 ALA 129 1HB ALA 129 8.880 -2.500 2.281 955 HB2 ALA 129 2HB ALA 129 8.459 -2.252 3.993 956 HB3 ALA 129 3HB ALA 129 9.081 -0.895 3.023 957 H CYS 130 H CYS 130 11.459 -0.092 2.649 958 HA CYS 130 HA CYS 130 12.328 -0.863 0.174 959 HB2 CYS 130 1HB CYS 130 12.050 1.483 0.923 960 HB3 CYS 130 2HB CYS 130 13.487 1.339 1.915 961 HG CYS 130 HG CYS 130 15.217 1.165 0.163 962 H SER 131 H SER 131 14.070 -0.761 3.349 963 HA SER 131 HA SER 131 16.530 -1.528 2.317 964 HB2 SER 131 1HB SER 131 15.765 -0.594 4.693 965 HB3 SER 131 2HB SER 131 15.674 -2.293 5.111 966 HG SER 131 HG SER 131 17.981 -2.264 4.009 967 H GLY 132 H GLY 132 13.856 -3.418 3.888 968 HA2 GLY 132 1HA GLY 132 13.193 -5.536 3.164 969 HA3 GLY 132 2HA GLY 132 14.761 -5.793 2.426 970 HA PRO 133 HA PRO 133 15.077 -8.062 6.263 971 HB2 PRO 133 1HB PRO 133 16.548 -10.143 5.277 972 HB3 PRO 133 2HB PRO 133 14.796 -10.147 5.327 973 HG2 PRO 133 1HG PRO 133 16.583 -9.760 3.004 974 HG3 PRO 133 2HG PRO 133 14.884 -10.187 3.022 975 HD2 PRO 133 1HD PRO 133 16.000 -7.614 2.421 976 HD3 PRO 133 2HD PRO 133 14.299 -8.013 2.554 977 H SER 134 H SER 134 16.250 -6.660 7.492 978 HA SER 134 HA SER 134 19.033 -6.477 6.711 979 HB2 SER 134 1HB SER 134 17.197 -4.593 7.670 980 HB3 SER 134 2HB SER 134 18.189 -4.927 9.075 981 HG SER 134 HG SER 134 18.812 -3.263 7.166 982 H SER 135 H SER 135 20.703 -6.577 8.540 983 HA SER 135 HA SER 135 19.935 -8.762 10.291 984 HB2 SER 135 1HB SER 135 22.473 -7.890 8.972 985 HB3 SER 135 2HB SER 135 22.648 -8.577 10.574 986 HG SER 135 HG SER 135 21.903 -10.533 9.886 987 H GLY 136 H GLY 136 19.880 -8.495 12.520 988 HA2 GLY 136 1HA GLY 136 20.680 -5.837 13.532 989 HA3 GLY 136 2HA GLY 136 19.404 -6.843 14.188 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -25.525 -8.244 -23.076 2 HA2 GLY 1 1HA GLY 1 -25.958 -10.221 -21.771 3 HA3 GLY 1 2HA GLY 1 -25.683 -11.193 -23.202 4 H SER 2 H SER 2 -24.315 -10.683 -20.355 5 HA SER 2 HA SER 2 -21.734 -11.307 -21.328 6 HB2 SER 2 1HB SER 2 -21.893 -8.718 -21.389 7 HB3 SER 2 2HB SER 2 -21.913 -8.786 -19.638 8 HG SER 2 HG SER 2 -19.751 -8.495 -20.501 9 H SER 3 H SER 3 -20.214 -11.789 -19.420 10 HA SER 3 HA SER 3 -21.381 -11.872 -16.850 11 HB2 SER 3 1HB SER 3 -22.471 -13.848 -18.049 12 HB3 SER 3 2HB SER 3 -20.877 -14.565 -18.184 13 HG SER 3 HG SER 3 -21.561 -13.694 -15.589 14 H GLY 4 H GLY 4 -19.603 -11.265 -15.672 15 HA2 GLY 4 1HA GLY 4 -17.168 -12.828 -15.888 16 HA3 GLY 4 2HA GLY 4 -17.025 -11.156 -16.392 17 H SER 5 H SER 5 -15.627 -12.260 -14.141 18 HA SER 5 HA SER 5 -16.481 -10.384 -12.196 19 HB2 SER 5 1HB SER 5 -17.338 -13.149 -11.939 20 HB3 SER 5 2HB SER 5 -16.235 -12.761 -10.634 21 HG SER 5 HG SER 5 -17.788 -11.629 -9.707 22 H SER 6 H SER 6 -14.895 -10.502 -10.213 23 HA SER 6 HA SER 6 -12.566 -11.995 -10.457 24 HB2 SER 6 1HB SER 6 -10.968 -10.153 -11.040 25 HB3 SER 6 2HB SER 6 -12.016 -10.600 -12.371 26 HG SER 6 HG SER 6 -12.605 -8.405 -10.580 27 H GLY 7 H GLY 7 -11.512 -11.944 -8.457 28 HA2 GLY 7 1HA GLY 7 -11.934 -9.625 -6.717 29 HA3 GLY 7 2HA GLY 7 -12.531 -11.179 -6.172 30 HA PRO 8 HA PRO 8 -7.918 -10.731 -5.505 31 HB2 PRO 8 1HB PRO 8 -7.721 -9.457 -3.095 32 HB3 PRO 8 2HB PRO 8 -7.524 -8.637 -4.632 33 HG2 PRO 8 1HG PRO 8 -9.822 -8.566 -2.773 34 HG3 PRO 8 2HG PRO 8 -9.424 -7.455 -4.069 35 HD2 PRO 8 1HD PRO 8 -11.435 -9.499 -4.118 36 HD3 PRO 8 2HD PRO 8 -10.958 -8.467 -5.451 37 H THR 9 H THR 9 -6.795 -11.169 -2.998 38 HA THR 9 HA THR 9 -8.316 -13.549 -2.162 39 HB THR 9 HB THR 9 -6.144 -14.717 -1.971 40 HG1 THR 9 1HG THR 9 -5.117 -12.231 -3.131 41 HG21 THR 9 1HG2 THR 9 -6.970 -14.925 -4.240 42 HG22 THR 9 2HG2 THR 9 -6.555 -13.234 -4.612 43 HG23 THR 9 3HG2 THR 9 -5.264 -14.439 -4.389 44 HA PRO 10 HA PRO 10 -8.029 -11.706 1.723 45 HB2 PRO 10 1HB PRO 10 -9.128 -13.720 3.207 46 HB3 PRO 10 2HB PRO 10 -10.086 -12.540 2.337 47 HG2 PRO 10 1HG PRO 10 -9.564 -15.369 1.656 48 HG3 PRO 10 2HG PRO 10 -10.827 -14.311 1.059 49 HD2 PRO 10 1HD PRO 10 -8.440 -15.087 -0.330 50 HD3 PRO 10 2HD PRO 10 -9.646 -13.939 -0.878 51 H LYS 11 H LYS 11 -5.627 -11.828 1.309 52 HA LYS 11 HA LYS 11 -4.456 -13.985 2.871 53 HB2 LYS 11 1HB LYS 11 -3.266 -11.897 1.027 54 HB3 LYS 11 2HB LYS 11 -2.306 -13.030 1.956 55 HG2 LYS 11 1HG LYS 11 -4.561 -14.143 0.290 56 HG3 LYS 11 2HG LYS 11 -3.128 -13.583 -0.550 57 HD2 LYS 11 1HD LYS 11 -1.747 -15.215 0.408 58 HD3 LYS 11 2HD LYS 11 -2.725 -15.353 1.856 59 HE2 LYS 11 1HE LYS 11 -4.523 -16.200 -0.065 60 HE3 LYS 11 2HE LYS 11 -3.013 -16.748 -0.765 61 HZ1 LYS 11 1HZ LYS 11 -3.468 -18.459 0.604 62 HZ2 LYS 11 2HZ LYS 11 -2.640 -17.549 1.678 63 HZ3 LYS 11 3HZ LYS 11 -4.273 -17.561 1.706 64 H THR 12 H THR 12 -3.636 -13.730 4.902 65 HA THR 12 HA THR 12 -3.965 -11.081 6.086 66 HB THR 12 HB THR 12 -5.019 -13.088 7.151 67 HG1 THR 12 1HG THR 12 -2.626 -12.113 8.539 68 HG21 THR 12 1HG2 THR 12 -2.119 -14.015 7.177 69 HG22 THR 12 2HG2 THR 12 -3.247 -14.537 8.451 70 HG23 THR 12 3HG2 THR 12 -3.574 -14.948 6.750 71 H GLU 13 H GLU 13 -2.289 -10.276 7.613 72 HA GLU 13 HA GLU 13 0.231 -11.195 7.773 73 HB2 GLU 13 1HB GLU 13 -0.255 -10.281 5.089 74 HB3 GLU 13 2HB GLU 13 0.852 -9.149 5.839 75 HG2 GLU 13 1HG GLU 13 2.211 -11.197 6.631 76 HG3 GLU 13 2HG GLU 13 1.199 -12.167 5.579 77 H LEU 14 H LEU 14 1.735 -9.569 8.720 78 HA LEU 14 HA LEU 14 0.318 -7.700 10.278 79 HB2 LEU 14 1HB LEU 14 3.203 -8.399 9.863 80 HB3 LEU 14 2HB LEU 14 2.771 -6.975 10.789 81 HG LEU 14 HG LEU 14 3.202 -8.906 12.227 82 HD11 LEU 14 1HD1 LEU 14 1.337 -8.673 13.677 83 HD12 LEU 14 2HD1 LEU 14 1.532 -7.117 12.835 84 HD13 LEU 14 3HD1 LEU 14 0.252 -8.248 12.331 85 HD21 LEU 14 1HD2 LEU 14 1.599 -10.811 12.259 86 HD22 LEU 14 2HD2 LEU 14 0.899 -10.196 10.742 87 HD23 LEU 14 3HD2 LEU 14 2.597 -10.730 10.787 88 H VAL 15 H VAL 15 -0.211 -5.601 9.914 89 HA VAL 15 HA VAL 15 1.173 -4.262 7.702 90 HB VAL 15 HB VAL 15 -1.798 -4.345 8.253 91 HG11 VAL 15 1HG1 VAL 15 -2.120 -2.766 6.495 92 HG12 VAL 15 2HG1 VAL 15 -0.897 -2.074 7.587 93 HG13 VAL 15 3HG1 VAL 15 -0.398 -2.811 6.046 94 HG21 VAL 15 1HG2 VAL 15 -1.882 -5.998 6.761 95 HG22 VAL 15 2HG2 VAL 15 -1.091 -4.962 5.548 96 HG23 VAL 15 3HG2 VAL 15 -0.106 -5.971 6.634 97 H GLN 16 H GLN 16 1.318 -1.936 7.924 98 HA GLN 16 HA GLN 16 0.792 -1.093 10.668 99 HB2 GLN 16 1HB GLN 16 3.221 -0.809 8.938 100 HB3 GLN 16 2HB GLN 16 2.813 0.572 9.936 101 HG2 GLN 16 1HG GLN 16 3.088 -0.623 11.954 102 HG3 GLN 16 2HG GLN 16 2.805 -2.178 11.196 103 HE21 GLN 16 1HE2 GLN 16 5.074 0.411 11.747 104 HE22 GLN 16 2HE2 GLN 16 6.521 -0.418 11.279 105 H LYS 17 H LYS 17 -0.916 0.305 10.656 106 HA LYS 17 HA LYS 17 -1.178 2.063 8.325 107 HB2 LYS 17 1HB LYS 17 -3.114 0.739 10.169 108 HB3 LYS 17 2HB LYS 17 -3.540 2.330 9.570 109 HG2 LYS 17 1HG LYS 17 -3.510 1.629 7.296 110 HG3 LYS 17 2HG LYS 17 -2.526 0.221 7.641 111 HD2 LYS 17 1HD LYS 17 -4.939 0.013 9.212 112 HD3 LYS 17 2HD LYS 17 -5.403 0.416 7.571 113 HE2 LYS 17 1HE LYS 17 -3.996 -1.480 6.716 114 HE3 LYS 17 2HE LYS 17 -3.559 -1.890 8.362 115 HZ1 LYS 17 1HZ LYS 17 -5.394 -3.078 8.418 116 HZ2 LYS 17 2HZ LYS 17 -6.290 -1.716 8.327 117 HZ3 LYS 17 3HZ LYS 17 -5.901 -2.529 6.966 118 H PHE 18 H PHE 18 -0.732 4.194 8.529 119 HA PHE 18 HA PHE 18 -0.652 5.248 11.269 120 HB2 PHE 18 1HB PHE 18 1.160 5.589 8.817 121 HB3 PHE 18 2HB PHE 18 1.189 6.765 10.117 122 HD1 PHE 18 1HD PHE 18 1.756 5.927 12.467 123 HD2 PHE 18 2HD PHE 18 2.419 3.619 8.968 124 HE1 PHE 18 1HE PHE 18 3.402 4.503 13.717 125 HE2 PHE 18 2HE PHE 18 4.065 2.195 10.218 126 HZ PHE 18 HZ PHE 18 4.537 2.655 12.578 127 H ARG 19 H ARG 19 -2.324 6.656 11.507 128 HA ARG 19 HA ARG 19 -3.626 7.768 9.325 129 HB2 ARG 19 1HB ARG 19 -4.304 7.421 11.906 130 HB3 ARG 19 2HB ARG 19 -3.750 9.077 12.051 131 HG2 ARG 19 1HG ARG 19 -5.357 9.054 9.712 132 HG3 ARG 19 2HG ARG 19 -6.224 8.053 10.860 133 HD2 ARG 19 1HD ARG 19 -5.427 10.193 12.456 134 HD3 ARG 19 2HD ARG 19 -5.717 10.979 10.917 135 HE ARG 19 HE ARG 19 -8.011 10.547 11.144 136 HH11 ARG 19 2HH2 ARG 19 -6.218 8.556 13.425 137 HH12 ARG 19 1HH2 ARG 19 -7.636 7.997 14.249 138 HH21 ARG 19 2HH1 ARG 19 -9.882 9.810 12.230 139 HH22 ARG 19 1HH1 ARG 19 -9.734 8.716 13.564 140 H VAL 20 H VAL 20 -2.557 9.187 7.950 141 HA VAL 20 HA VAL 20 -1.309 11.511 9.229 142 HB VAL 20 HB VAL 20 0.529 11.438 7.748 143 HG11 VAL 20 1HG1 VAL 20 0.170 9.574 9.692 144 HG12 VAL 20 2HG1 VAL 20 0.504 8.526 8.293 145 HG13 VAL 20 3HG1 VAL 20 1.678 9.777 8.768 146 HG21 VAL 20 1HG2 VAL 20 -0.970 9.231 6.315 147 HG22 VAL 20 2HG2 VAL 20 -0.438 10.803 5.673 148 HG23 VAL 20 3HG2 VAL 20 0.763 9.548 6.061 149 H GLN 21 H GLN 21 -1.178 13.412 7.696 150 HA GLN 21 HA GLN 21 -3.663 13.493 6.249 151 HB2 GLN 21 1HB GLN 21 -1.701 15.542 7.280 152 HB3 GLN 21 2HB GLN 21 -2.800 16.005 5.996 153 HG2 GLN 21 1HG GLN 21 -4.749 15.379 7.361 154 HG3 GLN 21 2HG GLN 21 -3.713 14.721 8.612 155 HE21 GLN 21 1HE2 GLN 21 -5.102 17.529 7.202 156 HE22 GLN 21 2HE2 GLN 21 -4.526 18.713 8.328 157 H TYR 22 H TYR 22 -3.804 14.321 4.015 158 HA TYR 22 HA TYR 22 -1.422 13.548 2.490 159 HB2 TYR 22 1HB TYR 22 -3.939 12.613 2.327 160 HB3 TYR 22 2HB TYR 22 -4.260 14.117 1.488 161 HD1 TYR 22 1HD TYR 22 -1.092 13.738 0.468 162 HD2 TYR 22 2HD TYR 22 -4.815 11.664 0.089 163 HE1 TYR 22 1HE TYR 22 -0.297 12.692 -1.709 164 HE2 TYR 22 2HE TYR 22 -4.007 10.625 -2.086 165 HH TYR 22 HH TYR 22 -2.354 11.243 -3.869 166 H LEU 23 H LEU 23 -0.144 15.359 2.245 167 HA LEU 23 HA LEU 23 -1.215 17.951 2.013 168 HB2 LEU 23 1HB LEU 23 1.453 16.662 1.741 169 HB3 LEU 23 2HB LEU 23 1.245 18.249 1.027 170 HG LEU 23 HG LEU 23 0.168 18.622 3.530 171 HD11 LEU 23 1HD1 LEU 23 0.876 17.120 4.996 172 HD12 LEU 23 2HD1 LEU 23 1.689 16.218 3.695 173 HD13 LEU 23 3HD1 LEU 23 2.565 17.492 4.577 174 HD21 LEU 23 1HD2 LEU 23 3.106 19.031 3.008 175 HD22 LEU 23 2HD2 LEU 23 1.867 19.960 2.131 176 HD23 LEU 23 3HD2 LEU 23 1.965 20.060 3.906 177 H GLY 24 H GLY 24 -0.048 15.511 -0.380 178 HA2 GLY 24 1HA GLY 24 -1.714 15.737 -2.374 179 HA3 GLY 24 2HA GLY 24 -0.899 17.277 -2.563 180 H MET 25 H MET 25 -0.828 15.240 -4.560 181 HA MET 25 HA MET 25 1.804 14.071 -4.247 182 HB2 MET 25 1HB MET 25 -0.253 12.745 -5.055 183 HB3 MET 25 2HB MET 25 -0.245 13.730 -6.505 184 HG2 MET 25 1HG MET 25 2.279 12.973 -6.717 185 HG3 MET 25 2HG MET 25 1.829 11.708 -5.591 186 HE1 MET 25 1HE MET 25 1.407 13.378 -8.908 187 HE2 MET 25 2HE MET 25 0.362 12.315 -9.880 188 HE3 MET 25 3HE MET 25 -0.352 13.369 -8.635 189 H LEU 26 H LEU 26 3.465 15.413 -4.836 190 HA LEU 26 HA LEU 26 3.027 17.081 -7.211 191 HB2 LEU 26 1HB LEU 26 3.471 18.184 -4.990 192 HB3 LEU 26 2HB LEU 26 5.071 17.469 -5.025 193 HG LEU 26 HG LEU 26 4.331 19.006 -7.445 194 HD11 LEU 26 1HD1 LEU 26 4.575 20.321 -4.736 195 HD12 LEU 26 2HD1 LEU 26 4.897 21.179 -6.262 196 HD13 LEU 26 3HD1 LEU 26 3.282 20.499 -5.947 197 HD21 LEU 26 1HD2 LEU 26 6.794 19.322 -5.744 198 HD22 LEU 26 2HD2 LEU 26 6.586 17.919 -6.819 199 HD23 LEU 26 3HD2 LEU 26 6.589 19.566 -7.495 200 HA PRO 27 HA PRO 27 5.904 14.440 -9.114 201 HB2 PRO 27 1HB PRO 27 6.011 15.684 -11.545 202 HB3 PRO 27 2HB PRO 27 4.768 14.526 -11.115 203 HG2 PRO 27 1HG PRO 27 4.571 17.469 -11.310 204 HG3 PRO 27 2HG PRO 27 3.283 16.281 -11.304 205 HD2 PRO 27 1HD PRO 27 4.071 17.969 -9.123 206 HD3 PRO 27 2HD PRO 27 2.862 16.701 -9.083 207 H VAL 28 H VAL 28 8.073 14.387 -10.120 208 HA VAL 28 HA VAL 28 9.518 16.864 -9.848 209 HB VAL 28 HB VAL 28 11.139 15.949 -8.256 210 HG11 VAL 28 1HG1 VAL 28 9.859 16.315 -6.266 211 HG12 VAL 28 2HG1 VAL 28 9.170 17.351 -7.538 212 HG13 VAL 28 3HG1 VAL 28 8.347 15.842 -7.077 213 HG21 VAL 28 1HG2 VAL 28 10.147 13.933 -6.856 214 HG22 VAL 28 2HG2 VAL 28 9.337 13.558 -8.396 215 HG23 VAL 28 3HG2 VAL 28 11.113 13.649 -8.324 216 H ASP 29 H ASP 29 11.425 16.861 -11.090 217 HA ASP 29 HA ASP 29 11.467 14.845 -13.065 218 HB2 ASP 29 1HB ASP 29 12.473 17.497 -12.718 219 HB3 ASP 29 2HB ASP 29 13.878 16.489 -13.004 220 H ARG 30 H ARG 30 13.486 15.852 -10.242 221 HA ARG 30 HA ARG 30 15.438 13.860 -10.792 222 HB2 ARG 30 1HB ARG 30 15.174 16.186 -9.072 223 HB3 ARG 30 2HB ARG 30 15.660 14.821 -8.087 224 HG2 ARG 30 1HG ARG 30 17.056 15.578 -10.694 225 HG3 ARG 30 2HG ARG 30 17.578 16.159 -9.126 226 HD2 ARG 30 1HD ARG 30 18.676 14.214 -8.711 227 HD3 ARG 30 2HD ARG 30 17.213 13.283 -8.969 228 HE ARG 30 HE ARG 30 17.940 13.840 -11.542 229 HH11 ARG 30 2HH2 ARG 30 19.797 12.625 -8.811 230 HH12 ARG 30 1HH2 ARG 30 20.903 11.729 -9.798 231 HH21 ARG 30 2HH1 ARG 30 19.399 12.658 -12.844 232 HH22 ARG 30 1HH1 ARG 30 20.675 11.748 -12.108 233 HA PRO 31 HA PRO 31 13.089 10.864 -8.553 234 HB2 PRO 31 1HB PRO 31 14.594 8.682 -9.218 235 HB3 PRO 31 2HB PRO 31 13.293 9.291 -10.222 236 HG2 PRO 31 1HG PRO 31 16.211 9.540 -10.620 237 HG3 PRO 31 2HG PRO 31 14.922 9.753 -11.787 238 HD2 PRO 31 1HD PRO 31 16.425 11.825 -10.492 239 HD3 PRO 31 2HD PRO 31 15.060 12.038 -11.570 240 H VAL 32 H VAL 32 16.011 12.165 -7.891 241 HA VAL 32 HA VAL 32 15.899 11.085 -5.227 242 HB VAL 32 HB VAL 32 18.203 10.283 -5.233 243 HG11 VAL 32 1HG1 VAL 32 16.250 8.756 -5.689 244 HG12 VAL 32 2HG1 VAL 32 16.634 8.888 -7.422 245 HG13 VAL 32 3HG1 VAL 32 17.817 8.173 -6.300 246 HG21 VAL 32 1HG2 VAL 32 18.221 11.478 -7.897 247 HG22 VAL 32 2HG2 VAL 32 19.577 11.022 -6.838 248 HG23 VAL 32 3HG2 VAL 32 18.831 9.806 -7.903 249 H GLY 33 H GLY 33 17.152 12.377 -3.722 250 HA2 GLY 33 1HA GLY 33 18.873 14.186 -3.654 251 HA3 GLY 33 2HA GLY 33 17.914 14.991 -4.880 252 H MET 34 H MET 34 18.560 14.961 -1.620 253 HA MET 34 HA MET 34 16.065 15.056 -0.447 254 HB2 MET 34 1HB MET 34 18.815 16.192 0.186 255 HB3 MET 34 2HB MET 34 17.466 16.640 1.211 256 HG2 MET 34 1HG MET 34 17.355 13.779 0.782 257 HG3 MET 34 2HG MET 34 18.992 14.196 1.250 258 HE1 MET 34 1HE MET 34 15.639 13.338 2.241 259 HE2 MET 34 2HE MET 34 15.280 14.118 3.800 260 HE3 MET 34 3HE MET 34 15.164 15.052 2.290 261 H ASP 35 H ASP 35 18.061 17.619 -2.007 262 HA ASP 35 HA ASP 35 16.788 19.832 -1.224 263 HB2 ASP 35 1HB ASP 35 18.646 19.261 -3.120 264 HB3 ASP 35 2HB ASP 35 17.282 19.556 -4.180 265 H THR 36 H THR 36 16.016 18.079 -4.337 266 HA THR 36 HA THR 36 13.667 19.370 -4.920 267 HB THR 36 HB THR 36 14.696 16.543 -5.454 268 HG1 THR 36 1HG THR 36 14.298 19.010 -6.996 269 HG21 THR 36 1HG2 THR 36 12.034 17.656 -5.985 270 HG22 THR 36 2HG2 THR 36 12.915 17.370 -7.506 271 HG23 THR 36 3HG2 THR 36 12.659 16.032 -6.361 272 H LEU 37 H LEU 37 14.106 16.405 -2.896 273 HA LEU 37 HA LEU 37 11.505 15.802 -2.433 274 HB2 LEU 37 1HB LEU 37 13.449 14.522 -1.670 275 HB3 LEU 37 2HB LEU 37 13.794 15.742 -0.461 276 HG LEU 37 HG LEU 37 11.226 15.139 0.196 277 HD11 LEU 37 1HD1 LEU 37 11.666 12.413 0.147 278 HD12 LEU 37 2HD1 LEU 37 10.542 13.318 -0.896 279 HD13 LEU 37 3HD1 LEU 37 12.183 12.938 -1.474 280 HD21 LEU 37 1HD2 LEU 37 12.195 13.721 1.988 281 HD22 LEU 37 2HD2 LEU 37 13.759 13.770 1.139 282 HD23 LEU 37 3HD2 LEU 37 13.042 15.271 1.773 283 H ASN 38 H ASN 38 13.505 18.055 -0.393 284 HA ASN 38 HA ASN 38 11.426 18.870 1.185 285 HB2 ASN 38 1HB ASN 38 14.069 20.084 0.345 286 HB3 ASN 38 2HB ASN 38 12.951 21.097 1.236 287 HD21 ASN 38 1HD2 ASN 38 15.210 18.545 1.345 288 HD22 ASN 38 2HD2 ASN 38 15.122 18.159 3.031 289 H SER 39 H SER 39 12.898 20.475 -1.744 290 HA SER 39 HA SER 39 11.404 22.654 -1.952 291 HB2 SER 39 1HB SER 39 13.216 21.725 -3.541 292 HB3 SER 39 2HB SER 39 11.925 20.871 -4.363 293 HG SER 39 HG SER 39 12.297 23.718 -4.097 294 H ALA 40 H ALA 40 10.413 19.298 -2.797 295 HA ALA 40 HA ALA 40 7.994 19.955 -4.033 296 HB1 ALA 40 1HB ALA 40 9.310 17.742 -3.997 297 HB2 ALA 40 2HB ALA 40 8.539 17.446 -2.420 298 HB3 ALA 40 3HB ALA 40 7.537 17.630 -3.879 299 H ILE 41 H ILE 41 8.533 18.638 -0.682 300 HA ILE 41 HA ILE 41 6.002 19.017 0.248 301 HB ILE 41 HB ILE 41 8.672 19.157 1.634 302 HG12 ILE 41 1HG1 ILE 41 6.572 16.972 1.517 303 HG13 ILE 41 2HG1 ILE 41 8.025 17.022 0.538 304 HG21 ILE 41 1HG2 ILE 41 7.711 19.907 3.484 305 HG22 ILE 41 2HG2 ILE 41 6.130 19.982 2.669 306 HG23 ILE 41 3HG2 ILE 41 6.640 18.485 3.487 307 HD11 ILE 41 1HD1 ILE 41 9.354 17.184 2.742 308 HD12 ILE 41 2HD1 ILE 41 7.831 16.772 3.565 309 HD13 ILE 41 3HD1 ILE 41 8.558 15.627 2.412 310 H GLU 42 H GLU 42 8.765 21.361 0.552 311 HA GLU 42 HA GLU 42 7.455 23.355 1.775 312 HB2 GLU 42 1HB GLU 42 9.658 23.325 -0.293 313 HB3 GLU 42 2HB GLU 42 9.028 24.866 0.255 314 HG2 GLU 42 1HG GLU 42 9.591 24.369 2.573 315 HG3 GLU 42 2HG GLU 42 9.963 22.700 2.188 316 H ASN 43 H ASN 43 7.252 22.389 -1.664 317 HA ASN 43 HA ASN 43 5.976 24.669 -2.575 318 HB2 ASN 43 1HB ASN 43 6.892 22.318 -3.709 319 HB3 ASN 43 2HB ASN 43 5.162 22.051 -3.787 320 HD21 ASN 43 1HD2 ASN 43 6.605 22.249 -6.064 321 HD22 ASN 43 2HD2 ASN 43 6.249 23.712 -6.919 322 H LEU 44 H LEU 44 4.637 21.367 -1.762 323 HA LEU 44 HA LEU 44 1.970 22.017 -1.974 324 HB2 LEU 44 1HB LEU 44 3.557 19.916 -0.588 325 HB3 LEU 44 2HB LEU 44 1.874 20.093 -0.131 326 HG LEU 44 HG LEU 44 2.828 19.663 -2.975 327 HD11 LEU 44 1HD1 LEU 44 1.389 17.490 -1.580 328 HD12 LEU 44 2HD1 LEU 44 2.744 17.427 -2.732 329 HD13 LEU 44 3HD1 LEU 44 3.050 17.802 -1.019 330 HD21 LEU 44 1HD2 LEU 44 0.382 18.974 -3.256 331 HD22 LEU 44 2HD2 LEU 44 0.096 19.792 -1.701 332 HD23 LEU 44 3HD2 LEU 44 0.731 20.711 -3.087 333 H MET 45 H MET 45 4.175 22.218 0.887 334 HA MET 45 HA MET 45 2.403 22.871 2.790 335 HB2 MET 45 1HB MET 45 5.263 23.478 2.184 336 HB3 MET 45 2HB MET 45 4.536 24.611 3.306 337 HG2 MET 45 1HG MET 45 3.698 21.967 4.093 338 HG3 MET 45 2HG MET 45 5.427 21.906 3.815 339 HE1 MET 45 1HE MET 45 5.540 21.537 6.883 340 HE2 MET 45 2HE MET 45 4.230 22.458 7.662 341 HE3 MET 45 3HE MET 45 3.868 21.380 6.292 342 H THR 46 H THR 46 4.215 25.361 0.839 343 HA THR 46 HA THR 46 2.403 27.417 1.674 344 HB THR 46 HB THR 46 3.892 28.826 0.330 345 HG1 THR 46 1HG THR 46 5.103 26.327 -0.559 346 HG21 THR 46 1HG2 THR 46 5.445 28.474 1.985 347 HG22 THR 46 2HG2 THR 46 5.028 26.748 2.104 348 HG23 THR 46 3HG2 THR 46 6.186 27.301 0.870 349 H SER 47 H SER 47 0.619 25.702 0.831 350 HA SER 47 HA SER 47 -0.396 27.018 -1.483 351 HB2 SER 47 1HB SER 47 1.022 24.591 -1.859 352 HB3 SER 47 2HB SER 47 -0.671 24.146 -1.950 353 HG SER 47 HG SER 47 0.400 26.397 -3.411 354 H SER 48 H SER 48 -0.964 23.768 0.054 355 HA SER 48 HA SER 48 -3.682 24.623 0.541 356 HB2 SER 48 1HB SER 48 -3.244 21.909 1.372 357 HB3 SER 48 2HB SER 48 -4.185 22.488 0.013 358 HG SER 48 HG SER 48 -2.683 21.676 -1.263 359 H SER 49 H SER 49 -4.618 24.661 2.649 360 HA SER 49 HA SER 49 -2.892 25.330 4.696 361 HB2 SER 49 1HB SER 49 -5.773 24.361 4.953 362 HB3 SER 49 2HB SER 49 -4.901 25.333 6.122 363 HG SER 49 HG SER 49 -6.425 26.376 4.397 364 H LYS 50 H LYS 50 -2.844 24.188 6.925 365 HA LYS 50 HA LYS 50 -1.836 21.590 6.558 366 HB2 LYS 50 1HB LYS 50 -0.816 22.655 8.307 367 HB3 LYS 50 2HB LYS 50 -2.281 23.455 8.838 368 HG2 LYS 50 1HG LYS 50 -3.092 21.516 9.959 369 HG3 LYS 50 2HG LYS 50 -2.046 20.438 9.057 370 HD2 LYS 50 1HD LYS 50 -0.063 21.263 10.231 371 HD3 LYS 50 2HD LYS 50 -0.985 22.541 10.998 372 HE2 LYS 50 1HE LYS 50 -1.565 19.571 11.414 373 HE3 LYS 50 2HE LYS 50 -0.531 20.508 12.474 374 HZ1 LYS 50 1HZ LYS 50 -3.142 20.285 12.789 375 HZ2 LYS 50 2HZ LYS 50 -2.281 21.555 13.346 376 HZ3 LYS 50 3HZ LYS 50 -3.097 21.677 11.936 377 H GLU 51 H GLU 51 -4.928 22.877 7.919 378 HA GLU 51 HA GLU 51 -5.880 20.297 8.519 379 HB2 GLU 51 1HB GLU 51 -7.231 23.015 8.295 380 HB3 GLU 51 2HB GLU 51 -8.111 21.567 8.743 381 HG2 GLU 51 1HG GLU 51 -5.581 21.984 10.261 382 HG3 GLU 51 2HG GLU 51 -6.793 23.221 10.526 383 H ASP 52 H ASP 52 -5.911 22.408 5.672 384 HA ASP 52 HA ASP 52 -8.065 21.441 4.335 385 HB2 ASP 52 1HB ASP 52 -5.534 22.789 3.682 386 HB3 ASP 52 2HB ASP 52 -6.044 21.736 2.377 387 H TRP 53 H TRP 53 -5.057 19.876 5.215 388 HA TRP 53 HA TRP 53 -5.058 17.939 3.113 389 HB2 TRP 53 1HB TRP 53 -3.609 17.818 5.758 390 HB3 TRP 53 2HB TRP 53 -3.230 16.944 4.287 391 HD1 TRP 53 HD TRP 53 -3.385 19.512 2.265 392 HE1 TRP 53 1HE TRP 53 -1.474 21.331 2.228 393 HE3 TRP 53 3HE TRP 53 -1.593 18.483 6.911 394 HZ2 TRP 53 2HZ TRP 53 0.528 22.118 4.103 395 HZ3 TRP 53 3HZ TRP 53 0.342 19.823 7.732 396 HH2 TRP 53 HH TRP 53 1.397 21.587 6.410 397 HA PRO 54 HA PRO 54 -8.107 15.478 5.056 398 HB2 PRO 54 1HB PRO 54 -8.148 13.427 3.251 399 HB3 PRO 54 2HB PRO 54 -9.052 14.912 3.034 400 HG2 PRO 54 1HG PRO 54 -6.568 14.040 1.689 401 HG3 PRO 54 2HG PRO 54 -7.701 15.285 1.202 402 HD2 PRO 54 1HD PRO 54 -5.136 15.682 2.422 403 HD3 PRO 54 2HD PRO 54 -6.318 16.918 2.041 404 H SER 55 H SER 55 -8.240 13.956 6.636 405 HA SER 55 HA SER 55 -5.730 12.911 7.385 406 HB2 SER 55 1HB SER 55 -8.006 11.654 8.726 407 HB3 SER 55 2HB SER 55 -6.743 12.666 9.399 408 HG SER 55 HG SER 55 -8.242 14.175 9.575 409 H VAL 56 H VAL 56 -4.855 11.307 6.086 410 HA VAL 56 HA VAL 56 -6.654 9.101 5.360 411 HB VAL 56 HB VAL 56 -5.263 8.713 3.468 412 HG11 VAL 56 1HG1 VAL 56 -6.932 10.734 3.565 413 HG12 VAL 56 2HG1 VAL 56 -5.452 11.715 3.442 414 HG13 VAL 56 3HG1 VAL 56 -5.849 10.539 2.166 415 HG21 VAL 56 1HG2 VAL 56 -3.188 9.690 3.024 416 HG22 VAL 56 2HG2 VAL 56 -3.459 11.028 4.167 417 HG23 VAL 56 3HG2 VAL 56 -3.127 9.389 4.777 418 H ASN 57 H ASN 57 -5.256 6.962 5.043 419 HA ASN 57 HA ASN 57 -3.563 6.803 7.413 420 HB2 ASN 57 1HB ASN 57 -5.526 4.809 6.193 421 HB3 ASN 57 2HB ASN 57 -4.276 4.280 7.301 422 HD21 ASN 57 1HD2 ASN 57 -7.388 4.933 7.169 423 HD22 ASN 57 2HD2 ASN 57 -7.714 5.583 8.741 424 H MET 58 H MET 58 -1.569 5.605 7.161 425 HA MET 58 HA MET 58 -0.934 5.039 4.379 426 HB2 MET 58 1HB MET 58 0.441 6.724 5.751 427 HB3 MET 58 2HB MET 58 0.937 5.400 6.785 428 HG2 MET 58 1HG MET 58 2.707 5.306 5.301 429 HG3 MET 58 2HG MET 58 1.597 4.296 4.395 430 HE1 MET 58 1HE MET 58 3.555 7.875 4.175 431 HE2 MET 58 2HE MET 58 2.075 8.808 3.847 432 HE3 MET 58 3HE MET 58 2.211 7.852 5.342 433 H ASN 59 H ASN 59 -1.317 2.901 3.910 434 HA ASN 59 HA ASN 59 -1.039 0.947 5.951 435 HB2 ASN 59 1HB ASN 59 -2.780 0.737 4.187 436 HB3 ASN 59 2HB ASN 59 -1.550 0.711 2.939 437 HD21 ASN 59 1HD2 ASN 59 -3.655 -1.193 4.241 438 HD22 ASN 59 2HD2 ASN 59 -2.828 -2.711 4.354 439 H VAL 60 H VAL 60 0.699 -0.555 6.169 440 HA VAL 60 HA VAL 60 2.786 -0.451 4.122 441 HB VAL 60 HB VAL 60 3.110 -0.028 7.093 442 HG11 VAL 60 1HG1 VAL 60 4.869 -1.430 5.297 443 HG12 VAL 60 2HG1 VAL 60 5.634 0.096 5.805 444 HG13 VAL 60 3HG1 VAL 60 5.079 -1.073 7.028 445 HG21 VAL 60 1HG2 VAL 60 4.167 2.042 6.488 446 HG22 VAL 60 2HG2 VAL 60 4.134 1.619 4.759 447 HG23 VAL 60 3HG2 VAL 60 2.614 1.949 5.624 448 H ALA 61 H ALA 61 2.759 -2.489 3.310 449 HA ALA 61 HA ALA 61 3.371 -4.659 5.031 450 HB1 ALA 61 1HB ALA 61 1.311 -5.969 4.601 451 HB2 ALA 61 2HB ALA 61 0.968 -4.492 5.533 452 HB3 ALA 61 3HB ALA 61 0.589 -4.556 3.795 453 H ASP 62 H ASP 62 3.388 -6.776 3.655 454 HA ASP 62 HA ASP 62 4.458 -7.724 1.997 455 HB2 ASP 62 1HB ASP 62 1.941 -7.195 1.229 456 HB3 ASP 62 2HB ASP 62 2.742 -6.192 0.037 457 H ALA 63 H ALA 63 5.636 -5.142 2.813 458 HA ALA 63 HA ALA 63 7.078 -3.593 2.160 459 HB1 ALA 63 1HB ALA 63 8.810 -4.676 1.228 460 HB2 ALA 63 2HB ALA 63 7.717 -6.023 0.832 461 HB3 ALA 63 3HB ALA 63 7.979 -4.715 -0.345 462 H THR 64 H THR 64 4.611 -2.708 1.666 463 HA THR 64 HA THR 64 4.959 -1.247 -0.825 464 HB THR 64 HB THR 64 2.508 -2.962 -0.160 465 HG1 THR 64 1HG THR 64 4.418 -2.857 -2.385 466 HG21 THR 64 1HG2 THR 64 3.043 -1.378 -2.711 467 HG22 THR 64 2HG2 THR 64 1.523 -2.145 -2.190 468 HG23 THR 64 3HG2 THR 64 2.105 -0.676 -1.371 469 H VAL 65 H VAL 65 3.725 0.725 -0.923 470 HA VAL 65 HA VAL 65 2.791 1.533 1.746 471 HB VAL 65 HB VAL 65 4.542 2.877 -0.275 472 HG11 VAL 65 1HG1 VAL 65 2.576 4.240 1.565 473 HG12 VAL 65 2HG1 VAL 65 4.106 5.025 1.106 474 HG13 VAL 65 3HG1 VAL 65 2.930 4.568 -0.149 475 HG21 VAL 65 1HG2 VAL 65 6.059 2.597 1.334 476 HG22 VAL 65 2HG2 VAL 65 5.075 3.574 2.450 477 HG23 VAL 65 3HG2 VAL 65 4.830 1.813 2.356 478 H THR 66 H THR 66 0.588 1.390 1.599 479 HA THR 66 HA THR 66 -0.632 2.685 -0.751 480 HB THR 66 HB THR 66 -1.745 0.409 0.969 481 HG1 THR 66 1HG THR 66 0.273 0.037 -0.386 482 HG21 THR 66 1HG2 THR 66 -2.575 0.648 -1.845 483 HG22 THR 66 2HG2 THR 66 -3.588 0.496 -0.389 484 HG23 THR 66 3HG2 THR 66 -3.013 2.098 -0.911 485 H VAL 67 H VAL 67 -1.750 4.493 -0.394 486 HA VAL 67 HA VAL 67 -2.221 5.227 2.373 487 HB VAL 67 HB VAL 67 -2.502 6.733 -0.235 488 HG11 VAL 67 1HG1 VAL 67 -2.991 7.544 2.630 489 HG12 VAL 67 2HG1 VAL 67 -2.494 8.739 1.408 490 HG13 VAL 67 3HG1 VAL 67 -4.003 7.820 1.192 491 HG21 VAL 67 1HG2 VAL 67 -0.327 6.580 1.855 492 HG22 VAL 67 2HG2 VAL 67 -0.204 6.385 0.090 493 HG23 VAL 67 3HG2 VAL 67 -0.499 7.995 0.790 494 H ILE 68 H ILE 68 -4.038 4.369 3.266 495 HA ILE 68 HA ILE 68 -6.393 4.148 1.548 496 HB ILE 68 HB ILE 68 -5.745 2.920 4.230 497 HG12 ILE 68 1HG1 ILE 68 -5.697 1.841 1.406 498 HG13 ILE 68 2HG1 ILE 68 -4.384 1.900 2.566 499 HG21 ILE 68 1HG2 ILE 68 -8.271 3.351 2.962 500 HG22 ILE 68 2HG2 ILE 68 -7.908 1.609 2.942 501 HG23 ILE 68 3HG2 ILE 68 -7.905 2.501 4.483 502 HD11 ILE 68 1HD1 ILE 68 -6.090 0.449 4.052 503 HD12 ILE 68 2HD1 ILE 68 -6.738 0.032 2.447 504 HD13 ILE 68 3HD1 ILE 68 -5.035 -0.312 2.837 505 H SER 69 H SER 69 -8.395 5.100 2.127 506 HA SER 69 HA SER 69 -8.173 7.597 3.262 507 HB2 SER 69 1HB SER 69 -9.996 7.330 1.813 508 HB3 SER 69 2HB SER 69 -10.464 5.790 2.507 509 HG SER 69 HG SER 69 -10.892 8.436 3.573 510 H GLU 70 H GLU 70 -9.774 8.293 5.184 511 HA GLU 70 HA GLU 70 -8.866 6.771 7.428 512 HB2 GLU 70 1HB GLU 70 -8.695 9.027 7.926 513 HB3 GLU 70 2HB GLU 70 -10.099 9.462 6.973 514 HG2 GLU 70 1HG GLU 70 -11.610 8.531 8.692 515 HG3 GLU 70 2HG GLU 70 -10.244 7.946 9.621 516 H LYS 71 H LYS 71 -12.002 7.706 5.889 517 HA LYS 71 HA LYS 71 -13.358 5.859 7.705 518 HB2 LYS 71 1HB LYS 71 -14.350 8.025 7.698 519 HB3 LYS 71 2HB LYS 71 -14.328 8.121 5.949 520 HG2 LYS 71 1HG LYS 71 -16.260 6.916 5.736 521 HG3 LYS 71 2HG LYS 71 -15.757 5.725 6.920 522 HD2 LYS 71 1HD LYS 71 -16.623 6.953 8.737 523 HD3 LYS 71 2HD LYS 71 -16.525 8.483 7.889 524 HE2 LYS 71 1HE LYS 71 -18.658 8.272 7.143 525 HE3 LYS 71 2HE LYS 71 -18.298 6.719 6.416 526 HZ1 LYS 71 1HZ LYS 71 -19.839 7.146 8.603 527 HZ2 LYS 71 2HZ LYS 71 -19.284 5.699 8.088 528 HZ3 LYS 71 3HZ LYS 71 -18.462 6.530 9.228 529 H ASN 72 H ASN 72 -12.000 4.189 6.368 530 HA ASN 72 HA ASN 72 -13.729 2.711 4.912 531 HB2 ASN 72 1HB ASN 72 -12.830 4.881 3.310 532 HB3 ASN 72 2HB ASN 72 -11.879 3.514 2.767 533 HD21 ASN 72 1HD2 ASN 72 -14.269 5.137 1.747 534 HD22 ASN 72 2HD2 ASN 72 -15.407 3.953 1.195 535 H GLU 73 H GLU 73 -12.374 0.960 3.523 536 HA GLU 73 HA GLU 73 -9.687 0.785 4.618 537 HB2 GLU 73 1HB GLU 73 -11.812 -1.398 4.673 538 HB3 GLU 73 2HB GLU 73 -10.109 -1.719 4.933 539 HG2 GLU 73 1HG GLU 73 -10.854 0.518 6.603 540 HG3 GLU 73 2HG GLU 73 -12.050 -0.742 6.829 541 H GLU 74 H GLU 74 -12.129 -0.420 2.244 542 HA GLU 74 HA GLU 74 -10.124 -1.591 0.619 543 HB2 GLU 74 1HB GLU 74 -12.042 -1.889 -1.002 544 HB3 GLU 74 2HB GLU 74 -12.327 -2.573 0.586 545 HG2 GLU 74 1HG GLU 74 -14.162 -1.271 0.856 546 HG3 GLU 74 2HG GLU 74 -13.196 0.177 0.652 547 H GLU 75 H GLU 75 -11.075 1.609 1.222 548 HA GLU 75 HA GLU 75 -10.737 2.511 -1.475 549 HB2 GLU 75 1HB GLU 75 -12.067 3.493 0.777 550 HB3 GLU 75 2HB GLU 75 -10.681 4.559 0.652 551 HG2 GLU 75 1HG GLU 75 -11.240 5.144 -1.652 552 HG3 GLU 75 2HG GLU 75 -12.478 3.906 -1.727 553 H VAL 76 H VAL 76 -8.711 2.612 -2.343 554 HA VAL 76 HA VAL 76 -6.531 3.357 -0.519 555 HB VAL 76 HB VAL 76 -5.889 1.305 -1.228 556 HG11 VAL 76 1HG1 VAL 76 -6.386 0.460 -3.609 557 HG12 VAL 76 2HG1 VAL 76 -7.752 0.592 -2.475 558 HG13 VAL 76 3HG1 VAL 76 -7.508 1.837 -3.724 559 HG21 VAL 76 1HG2 VAL 76 -4.185 1.477 -2.875 560 HG22 VAL 76 2HG2 VAL 76 -5.020 2.808 -3.711 561 HG23 VAL 76 3HG2 VAL 76 -4.294 3.079 -2.108 562 H LEU 77 H LEU 77 -6.447 5.579 -0.673 563 HA LEU 77 HA LEU 77 -7.072 7.026 -2.954 564 HB2 LEU 77 1HB LEU 77 -5.373 7.641 -0.543 565 HB3 LEU 77 2HB LEU 77 -5.685 8.820 -1.801 566 HG LEU 77 HG LEU 77 -7.997 7.441 -0.467 567 HD11 LEU 77 1HD1 LEU 77 -7.264 9.998 0.761 568 HD12 LEU 77 2HD1 LEU 77 -7.801 8.473 1.505 569 HD13 LEU 77 3HD1 LEU 77 -6.090 8.696 1.069 570 HD21 LEU 77 1HD2 LEU 77 -8.316 8.882 -2.477 571 HD22 LEU 77 2HD2 LEU 77 -9.197 9.440 -1.034 572 HD23 LEU 77 3HD2 LEU 77 -7.698 10.260 -1.535 573 H VAL 78 H VAL 78 -3.839 5.970 -1.683 574 HA VAL 78 HA VAL 78 -2.885 6.132 -4.450 575 HB VAL 78 HB VAL 78 -1.762 7.384 -1.973 576 HG11 VAL 78 1HG1 VAL 78 -0.145 6.379 -4.334 577 HG12 VAL 78 2HG1 VAL 78 0.435 7.614 -3.191 578 HG13 VAL 78 3HG1 VAL 78 0.062 5.972 -2.614 579 HG21 VAL 78 1HG2 VAL 78 -1.104 9.016 -4.013 580 HG22 VAL 78 2HG2 VAL 78 -2.520 8.209 -4.730 581 HG23 VAL 78 3HG2 VAL 78 -2.678 9.078 -3.184 582 H GLU 79 H GLU 79 -1.262 4.569 -4.998 583 HA GLU 79 HA GLU 79 -0.820 2.577 -2.925 584 HB2 GLU 79 1HB GLU 79 -2.673 1.790 -4.383 585 HB3 GLU 79 2HB GLU 79 -1.658 1.984 -5.798 586 HG2 GLU 79 1HG GLU 79 -0.405 0.094 -5.340 587 HG3 GLU 79 2HG GLU 79 -0.477 0.331 -3.605 588 H CYS 80 H CYS 80 1.363 2.890 -2.582 589 HA CYS 80 HA CYS 80 3.032 2.933 -4.991 590 HB2 CYS 80 1HB CYS 80 3.508 4.215 -2.283 591 HB3 CYS 80 2HB CYS 80 4.744 4.065 -3.516 592 HG CYS 80 HG CYS 80 2.041 5.009 -4.849 593 H ARG 81 H ARG 81 5.014 1.630 -4.887 594 HA ARG 81 HA ARG 81 4.862 -0.378 -2.782 595 HB2 ARG 81 1HB ARG 81 5.652 -0.705 -5.719 596 HB3 ARG 81 2HB ARG 81 5.892 -1.958 -4.517 597 HG2 ARG 81 1HG ARG 81 3.629 -2.442 -4.354 598 HG3 ARG 81 2HG ARG 81 3.139 -0.783 -4.635 599 HD2 ARG 81 1HD ARG 81 4.469 -2.156 -6.946 600 HD3 ARG 81 2HD ARG 81 2.886 -2.766 -6.505 601 HE ARG 81 HE ARG 81 3.042 0.168 -6.704 602 HH11 ARG 81 2HH2 ARG 81 2.356 -2.842 -8.393 603 HH12 ARG 81 1HH2 ARG 81 1.403 -2.083 -9.624 604 HH21 ARG 81 2HH1 ARG 81 1.784 1.170 -8.327 605 HH22 ARG 81 1HH1 ARG 81 1.075 0.215 -9.586 606 H VAL 82 H VAL 82 6.818 -0.892 -1.721 607 HA VAL 82 HA VAL 82 8.881 0.983 -1.844 608 HB VAL 82 HB VAL 82 9.979 -0.408 -0.254 609 HG11 VAL 82 1HG1 VAL 82 7.182 0.262 -0.048 610 HG12 VAL 82 2HG1 VAL 82 7.520 -1.211 0.893 611 HG13 VAL 82 3HG1 VAL 82 8.443 0.278 1.209 612 HG21 VAL 82 1HG2 VAL 82 10.096 -2.596 -0.785 613 HG22 VAL 82 2HG2 VAL 82 8.577 -2.729 0.133 614 HG23 VAL 82 3HG2 VAL 82 8.535 -2.577 -1.640 615 H ARG 83 H ARG 83 8.119 -1.761 -3.838 616 HA ARG 83 HA ARG 83 10.807 -2.242 -4.603 617 HB2 ARG 83 1HB ARG 83 9.868 -3.875 -6.136 618 HB3 ARG 83 2HB ARG 83 8.932 -3.969 -4.657 619 HG2 ARG 83 1HG ARG 83 7.092 -3.697 -5.968 620 HG3 ARG 83 2HG ARG 83 7.559 -2.013 -6.090 621 HD2 ARG 83 1HD ARG 83 8.382 -2.246 -8.247 622 HD3 ARG 83 2HD ARG 83 8.961 -3.876 -7.970 623 HE ARG 83 HE ARG 83 6.044 -3.703 -7.926 624 HH11 ARG 83 2HH2 ARG 83 8.860 -4.021 -10.012 625 HH12 ARG 83 1HH2 ARG 83 7.980 -4.776 -11.299 626 HH21 ARG 83 2HH1 ARG 83 4.883 -4.699 -9.624 627 HH22 ARG 83 1HH1 ARG 83 5.703 -5.163 -11.077 628 H PHE 84 H PHE 84 8.252 -0.021 -5.471 629 HA PHE 84 HA PHE 84 9.540 0.562 -8.031 630 HB2 PHE 84 1HB PHE 84 6.829 0.833 -6.735 631 HB3 PHE 84 2HB PHE 84 7.271 2.156 -7.796 632 HD1 PHE 84 1HD PHE 84 8.626 0.957 -10.013 633 HD2 PHE 84 2HD PHE 84 5.331 -0.550 -7.803 634 HE1 PHE 84 1HE PHE 84 7.911 -0.397 -12.001 635 HE2 PHE 84 2HE PHE 84 4.617 -1.904 -9.791 636 HZ PHE 84 HZ PHE 84 5.915 -1.812 -11.867 637 H LEU 85 H LEU 85 9.179 1.676 -4.741 638 HA LEU 85 HA LEU 85 9.289 4.392 -4.980 639 HB2 LEU 85 1HB LEU 85 9.696 2.429 -2.981 640 HB3 LEU 85 2HB LEU 85 11.061 3.526 -2.898 641 HG LEU 85 HG LEU 85 8.362 4.771 -3.075 642 HD11 LEU 85 1HD1 LEU 85 7.784 3.057 -1.539 643 HD12 LEU 85 2HD1 LEU 85 9.318 3.233 -0.653 644 HD13 LEU 85 3HD1 LEU 85 8.094 4.523 -0.577 645 HD21 LEU 85 1HD2 LEU 85 9.564 6.550 -2.530 646 HD22 LEU 85 2HD2 LEU 85 9.981 5.795 -0.974 647 HD23 LEU 85 3HD2 LEU 85 11.024 5.542 -2.394 648 H SER 86 H SER 86 11.414 5.711 -4.291 649 HA SER 86 HA SER 86 13.671 4.682 -5.773 650 HB2 SER 86 1HB SER 86 11.917 6.835 -6.692 651 HB3 SER 86 2HB SER 86 13.553 7.424 -6.475 652 HG SER 86 HG SER 86 12.885 6.372 -8.628 653 H PHE 87 H PHE 87 12.235 7.332 -3.769 654 HA PHE 87 HA PHE 87 14.349 7.154 -1.899 655 HB2 PHE 87 1HB PHE 87 15.229 8.513 -3.983 656 HB3 PHE 87 2HB PHE 87 14.081 9.751 -3.514 657 HD1 PHE 87 1HD PHE 87 14.340 10.879 -1.287 658 HD2 PHE 87 2HD PHE 87 17.306 8.285 -2.863 659 HE1 PHE 87 1HE PHE 87 16.026 11.840 0.304 660 HE2 PHE 87 2HE PHE 87 18.992 9.246 -1.272 661 HZ PHE 87 HZ PHE 87 18.332 11.013 0.292 662 H MET 88 H MET 88 14.105 8.952 -0.174 663 HA MET 88 HA MET 88 11.713 10.426 -0.186 664 HB2 MET 88 1HB MET 88 10.453 9.188 1.494 665 HB3 MET 88 2HB MET 88 10.900 8.026 0.262 666 HG2 MET 88 1HG MET 88 12.825 7.263 1.635 667 HG3 MET 88 2HG MET 88 12.471 8.478 2.846 668 HE1 MET 88 1HE MET 88 10.746 4.512 1.984 669 HE2 MET 88 2HE MET 88 9.674 5.636 1.116 670 HE3 MET 88 3HE MET 88 11.428 5.668 0.815 671 H GLY 89 H GLY 89 11.323 10.566 2.678 672 HA2 GLY 89 1HA GLY 89 13.285 10.711 4.430 673 HA3 GLY 89 2HA GLY 89 13.754 12.031 3.377 674 H VAL 90 H VAL 90 13.105 12.538 6.056 675 HA VAL 90 HA VAL 90 10.348 13.436 6.092 676 HB VAL 90 HB VAL 90 12.574 13.444 8.137 677 HG11 VAL 90 1HG1 VAL 90 9.989 13.816 9.316 678 HG12 VAL 90 2HG1 VAL 90 11.412 14.883 9.381 679 HG13 VAL 90 3HG1 VAL 90 10.227 15.058 8.064 680 HG21 VAL 90 1HG2 VAL 90 10.691 11.861 9.197 681 HG22 VAL 90 2HG2 VAL 90 10.325 11.599 7.475 682 HG23 VAL 90 3HG2 VAL 90 11.954 11.248 8.102 683 H GLY 91 H GLY 91 9.761 15.417 5.387 684 HA2 GLY 91 1HA GLY 91 11.447 17.269 4.273 685 HA3 GLY 91 2HA GLY 91 9.853 17.615 4.913 686 H LYS 92 H LYS 92 11.292 19.742 5.221 687 HA LYS 92 HA LYS 92 13.245 20.052 7.023 688 HB2 LYS 92 1HB LYS 92 10.812 21.769 6.499 689 HB3 LYS 92 2HB LYS 92 12.106 22.281 7.563 690 HG2 LYS 92 1HG LYS 92 13.046 21.215 4.950 691 HG3 LYS 92 2HG LYS 92 12.063 22.659 4.815 692 HD2 LYS 92 1HD LYS 92 13.545 23.769 6.551 693 HD3 LYS 92 2HD LYS 92 14.568 22.346 6.535 694 HE2 LYS 92 1HE LYS 92 14.389 22.904 3.827 695 HE3 LYS 92 2HE LYS 92 14.315 24.516 4.511 696 HZ1 LYS 92 1HZ LYS 92 16.553 23.064 4.146 697 HZ2 LYS 92 2HZ LYS 92 16.432 24.395 5.085 698 HZ3 LYS 92 3HZ LYS 92 16.295 22.910 5.751 699 H ASP 93 H ASP 93 9.715 20.093 7.905 700 HA ASP 93 HA ASP 93 10.352 19.970 10.645 701 HB2 ASP 93 1HB ASP 93 8.010 20.307 8.976 702 HB3 ASP 93 2HB ASP 93 7.667 19.046 10.144 703 H VAL 94 H VAL 94 9.509 18.103 12.083 704 HA VAL 94 HA VAL 94 10.306 15.598 10.882 705 HB VAL 94 HB VAL 94 10.184 14.775 13.189 706 HG11 VAL 94 1HG1 VAL 94 11.824 16.718 14.107 707 HG12 VAL 94 2HG1 VAL 94 12.318 15.499 12.908 708 HG13 VAL 94 3HG1 VAL 94 11.815 17.121 12.373 709 HG21 VAL 94 1HG2 VAL 94 9.938 17.111 14.727 710 HG22 VAL 94 2HG2 VAL 94 8.590 17.171 13.566 711 HG23 VAL 94 3HG2 VAL 94 8.787 15.756 14.629 712 H HIS 95 H HIS 95 7.448 17.417 11.216 713 HA HIS 95 HA HIS 95 5.796 15.030 11.436 714 HB2 HIS 95 1HB HIS 95 4.517 17.683 11.173 715 HB3 HIS 95 2HB HIS 95 4.142 16.348 12.244 716 HD1 HIS 95 1HD HIS 95 6.827 19.067 11.900 717 HD2 HIS 95 2HD HIS 95 4.905 16.770 14.838 718 HE1 HIS 95 1HE HIS 95 7.667 19.933 14.148 719 H THR 96 H THR 96 7.561 15.900 9.063 720 HA THR 96 HA THR 96 5.392 15.806 7.075 721 HB THR 96 HB THR 96 7.044 17.222 5.661 722 HG1 THR 96 1HG THR 96 8.444 18.448 7.344 723 HG21 THR 96 1HG2 THR 96 6.318 19.316 6.586 724 HG22 THR 96 2HG2 THR 96 5.015 18.179 7.006 725 HG23 THR 96 3HG2 THR 96 6.220 18.643 8.231 726 H PHE 97 H PHE 97 5.618 14.372 5.399 727 HA PHE 97 HA PHE 97 8.168 13.007 5.152 728 HB2 PHE 97 1HB PHE 97 6.823 11.713 6.823 729 HB3 PHE 97 2HB PHE 97 5.427 11.752 5.764 730 HD1 PHE 97 2HD PHE 97 9.008 10.682 5.590 731 HD2 PHE 97 1HD PHE 97 4.971 9.819 4.608 732 HE1 PHE 97 2HE PHE 97 9.722 8.503 4.569 733 HE2 PHE 97 1HE PHE 97 5.685 7.640 3.586 734 HZ PHE 97 HZ PHE 97 8.052 7.008 3.579 735 H ALA 98 H ALA 98 8.500 12.065 3.082 736 HA ALA 98 HA ALA 98 6.365 11.875 1.213 737 HB1 ALA 98 1HB ALA 98 6.818 13.694 -0.191 738 HB2 ALA 98 2HB ALA 98 6.983 14.413 1.429 739 HB3 ALA 98 3HB ALA 98 8.435 13.958 0.504 740 H PHE 99 H PHE 99 7.050 10.773 -0.723 741 HA PHE 99 HA PHE 99 9.865 10.066 -0.847 742 HB2 PHE 99 1HB PHE 99 9.253 7.647 -0.882 743 HB3 PHE 99 2HB PHE 99 8.671 8.366 0.606 744 HD1 PHE 99 1HD PHE 99 7.569 7.443 -2.824 745 HD2 PHE 99 2HD PHE 99 6.419 8.186 1.192 746 HE1 PHE 99 1HE PHE 99 5.251 6.628 -3.337 747 HE2 PHE 99 2HE PHE 99 4.101 7.372 0.679 748 HZ PHE 99 HZ PHE 99 3.545 6.602 -1.579 749 H ILE 100 H ILE 100 10.563 9.492 -2.946 750 HA ILE 100 HA ILE 100 8.656 10.199 -5.014 751 HB ILE 100 HB ILE 100 11.593 9.576 -5.289 752 HG12 ILE 100 1HG1 ILE 100 10.318 12.275 -4.754 753 HG13 ILE 100 2HG1 ILE 100 11.224 11.340 -3.581 754 HG21 ILE 100 1HG2 ILE 100 10.814 11.518 -7.130 755 HG22 ILE 100 2HG2 ILE 100 11.134 9.798 -7.453 756 HG23 ILE 100 3HG2 ILE 100 9.474 10.346 -7.120 757 HD11 ILE 100 1HD1 ILE 100 12.770 12.925 -4.528 758 HD12 ILE 100 2HD1 ILE 100 13.181 11.347 -5.240 759 HD13 ILE 100 3HD1 ILE 100 12.255 12.536 -6.186 760 H MET 101 H MET 101 7.624 8.750 -6.295 761 HA MET 101 HA MET 101 8.537 5.992 -6.039 762 HB2 MET 101 1HB MET 101 6.234 5.329 -6.286 763 HB3 MET 101 2HB MET 101 6.167 6.730 -5.236 764 HG2 MET 101 1HG MET 101 4.718 7.663 -6.721 765 HG3 MET 101 2HG MET 101 6.066 7.838 -7.827 766 HE1 MET 101 1HE MET 101 4.133 4.691 -6.397 767 HE2 MET 101 2HE MET 101 2.905 5.902 -6.839 768 HE3 MET 101 3HE MET 101 3.025 4.381 -7.755 769 H ASP 102 H ASP 102 7.958 4.585 -8.043 770 HA ASP 102 HA ASP 102 8.448 6.206 -10.418 771 HB2 ASP 102 1HB ASP 102 10.440 4.906 -9.928 772 HB3 ASP 102 2HB ASP 102 9.500 3.459 -9.623 773 H THR 103 H THR 103 6.389 6.228 -11.395 774 HA THR 103 HA THR 103 4.573 4.056 -11.144 775 HB THR 103 HB THR 103 3.223 5.475 -12.691 776 HG1 THR 103 1HG THR 103 4.771 6.304 -14.121 777 HG21 THR 103 1HG2 THR 103 4.840 7.059 -10.628 778 HG22 THR 103 2HG2 THR 103 3.422 7.710 -11.486 779 HG23 THR 103 3HG2 THR 103 3.237 6.324 -10.384 780 H GLY 104 H GLY 104 6.568 5.292 -13.909 781 HA2 GLY 104 1HA GLY 104 7.182 2.698 -14.827 782 HA3 GLY 104 2HA GLY 104 5.812 3.315 -15.729 783 H ASN 105 H ASN 105 6.032 5.315 -16.980 784 HA ASN 105 HA ASN 105 8.361 5.434 -18.388 785 HB2 ASN 105 1HB ASN 105 6.496 7.819 -17.964 786 HB3 ASN 105 2HB ASN 105 7.455 7.472 -19.388 787 HD21 ASN 105 1HD2 ASN 105 4.454 7.635 -18.487 788 HD22 ASN 105 2HD2 ASN 105 3.703 6.321 -19.328 789 H GLN 106 H GLN 106 9.037 8.255 -18.514 790 HA GLN 106 HA GLN 106 10.730 8.385 -16.235 791 HB2 GLN 106 1HB GLN 106 10.371 10.019 -18.754 792 HB3 GLN 106 2HB GLN 106 11.326 10.672 -17.438 793 HG2 GLN 106 1HG GLN 106 13.082 9.329 -17.949 794 HG3 GLN 106 2HG GLN 106 12.077 7.895 -17.884 795 HE21 GLN 106 1HE2 GLN 106 14.239 8.858 -19.724 796 HE22 GLN 106 2HE2 GLN 106 13.599 8.714 -21.327 797 H ARG 107 H ARG 107 8.310 8.408 -15.091 798 HA ARG 107 HA ARG 107 7.952 11.219 -14.432 799 HB2 ARG 107 1HB ARG 107 5.992 9.320 -15.470 800 HB3 ARG 107 2HB ARG 107 5.505 9.842 -13.870 801 HG2 ARG 107 1HG ARG 107 6.480 12.002 -15.704 802 HG3 ARG 107 2HG ARG 107 4.960 11.251 -16.150 803 HD2 ARG 107 1HD ARG 107 4.766 11.680 -13.347 804 HD3 ARG 107 2HD ARG 107 5.518 13.133 -13.975 805 HE ARG 107 HE ARG 107 2.775 12.282 -14.415 806 HH11 ARG 107 2HH2 ARG 107 5.438 14.061 -15.875 807 HH12 ARG 107 1HH2 ARG 107 4.409 15.043 -16.863 808 HH21 ARG 107 2HH1 ARG 107 1.417 13.577 -15.719 809 HH22 ARG 107 1HH1 ARG 107 2.106 14.766 -16.774 810 H PHE 108 H PHE 108 7.682 11.675 -12.184 811 HA PHE 108 HA PHE 108 7.639 9.349 -10.412 812 HB2 PHE 108 1HB PHE 108 9.432 11.839 -10.182 813 HB3 PHE 108 2HB PHE 108 9.468 10.458 -9.104 814 HD1 PHE 108 2HD PHE 108 9.763 8.127 -10.528 815 HD2 PHE 108 1HD PHE 108 11.186 11.962 -11.657 816 HE1 PHE 108 2HE PHE 108 11.520 7.053 -11.963 817 HE2 PHE 108 1HE PHE 108 12.943 10.888 -13.092 818 HZ PHE 108 HZ PHE 108 13.089 8.446 -13.228 819 H GLU 109 H GLU 109 6.345 9.605 -8.612 820 HA GLU 109 HA GLU 109 5.253 12.290 -8.274 821 HB2 GLU 109 1HB GLU 109 3.950 9.562 -7.930 822 HB3 GLU 109 2HB GLU 109 3.237 11.024 -7.277 823 HG2 GLU 109 1HG GLU 109 2.693 11.872 -9.371 824 HG3 GLU 109 2HG GLU 109 4.082 11.143 -10.152 825 H CYS 110 H CYS 110 5.540 13.257 -6.293 826 HA CYS 110 HA CYS 110 6.674 11.548 -4.209 827 HB2 CYS 110 1HB CYS 110 8.012 13.529 -5.129 828 HB3 CYS 110 2HB CYS 110 6.848 14.569 -4.332 829 HG CYS 110 HG CYS 110 7.385 12.368 -2.265 830 H HIS 111 H HIS 111 4.956 10.838 -2.950 831 HA HIS 111 HA HIS 111 2.713 12.589 -2.535 832 HB2 HIS 111 1HB HIS 111 3.253 9.830 -1.403 833 HB3 HIS 111 2HB HIS 111 1.723 10.686 -1.384 834 HD1 HIS 111 1HD HIS 111 0.218 10.445 -3.414 835 HD2 HIS 111 2HD HIS 111 4.101 9.006 -4.082 836 HE1 HIS 111 1HE HIS 111 0.163 9.264 -5.675 837 H VAL 112 H VAL 112 2.869 14.208 -1.066 838 HA VAL 112 HA VAL 112 4.688 13.873 1.168 839 HB VAL 112 HB VAL 112 3.034 16.203 0.178 840 HG11 VAL 112 1HG1 VAL 112 3.295 16.559 2.506 841 HG12 VAL 112 2HG1 VAL 112 4.974 15.968 2.490 842 HG13 VAL 112 3HG1 VAL 112 4.572 17.525 1.728 843 HG21 VAL 112 1HG2 VAL 112 6.014 15.645 -0.003 844 HG22 VAL 112 2HG2 VAL 112 4.847 15.569 -1.345 845 HG23 VAL 112 3HG2 VAL 112 5.194 17.126 -0.553 846 H PHE 113 H PHE 113 4.058 13.858 3.357 847 HA PHE 113 HA PHE 113 1.210 13.940 3.908 848 HB2 PHE 113 1HB PHE 113 3.119 11.626 4.605 849 HB3 PHE 113 2HB PHE 113 1.448 11.722 5.123 850 HD1 PHE 113 1HD PHE 113 -0.346 11.812 3.260 851 HD2 PHE 113 2HD PHE 113 3.656 10.562 2.602 852 HE1 PHE 113 1HE PHE 113 -1.063 10.613 1.174 853 HE2 PHE 113 2HE PHE 113 2.939 9.364 0.517 854 HZ PHE 113 HZ PHE 113 0.588 9.403 -0.172 855 H TRP 114 H TRP 114 0.782 13.935 6.317 856 HA TRP 114 HA TRP 114 3.093 15.104 7.713 857 HB2 TRP 114 1HB TRP 114 1.380 16.757 7.227 858 HB3 TRP 114 2HB TRP 114 0.153 15.754 7.976 859 HD1 TRP 114 HD TRP 114 0.884 15.182 10.784 860 HE1 TRP 114 1HE TRP 114 1.623 16.891 12.654 861 HE3 TRP 114 3HE TRP 114 2.384 18.838 7.585 862 HZ2 TRP 114 2HZ TRP 114 2.727 19.522 12.586 863 HZ3 TRP 114 3HZ TRP 114 3.281 20.946 8.569 864 HH2 TRP 114 HH TRP 114 3.464 21.319 10.978 865 H CYS 115 H CYS 115 3.881 13.673 9.197 866 HA CYS 115 HA CYS 115 1.949 11.823 10.385 867 HB2 CYS 115 1HB CYS 115 4.931 11.397 10.461 868 HB3 CYS 115 2HB CYS 115 3.642 10.220 10.611 869 HG CYS 115 HG CYS 115 4.829 11.837 8.011 870 H GLU 116 H GLU 116 2.039 11.529 12.721 871 HA GLU 116 HA GLU 116 3.646 13.539 14.080 872 HB2 GLU 116 1HB GLU 116 0.672 13.081 14.246 873 HB3 GLU 116 2HB GLU 116 1.514 13.564 15.705 874 HG2 GLU 116 1HG GLU 116 2.559 15.281 13.727 875 HG3 GLU 116 2HG GLU 116 0.860 15.156 13.317 876 HA PRO 117 HA PRO 117 3.831 14.050 16.045 877 HB2 PRO 117 1HB PRO 117 6.034 14.013 17.661 878 HB3 PRO 117 2HB PRO 117 4.394 14.016 18.277 879 HG2 PRO 117 1HG PRO 117 6.320 11.777 18.146 880 HG3 PRO 117 2HG PRO 117 4.869 11.921 19.118 881 HD2 PRO 117 1HD PRO 117 5.183 10.373 16.724 882 HD3 PRO 117 2HD PRO 117 3.703 10.611 17.633 883 H ASN 118 H ASN 118 6.339 11.722 15.334 884 HA ASN 118 HA ASN 118 7.351 13.705 13.451 885 HB2 ASN 118 1HB ASN 118 9.586 12.274 13.824 886 HB3 ASN 118 2HB ASN 118 9.177 13.578 14.920 887 HD21 ASN 118 1HD2 ASN 118 10.562 12.400 16.388 888 HD22 ASN 118 2HD2 ASN 118 9.920 11.112 17.352 889 H ALA 119 H ALA 119 8.320 12.692 11.453 890 HA ALA 119 HA ALA 119 6.898 10.262 10.771 891 HB1 ALA 119 1HB ALA 119 8.701 11.985 9.034 892 HB2 ALA 119 2HB ALA 119 7.439 10.845 8.508 893 HB3 ALA 119 3HB ALA 119 6.985 12.357 9.330 894 H ALA 120 H ALA 120 8.792 9.776 12.773 895 HA ALA 120 HA ALA 120 11.171 8.801 11.418 896 HB1 ALA 120 1HB ALA 120 10.855 8.185 14.272 897 HB2 ALA 120 2HB ALA 120 12.150 9.074 13.434 898 HB3 ALA 120 3HB ALA 120 10.660 9.919 13.918 899 H ASN 121 H ASN 121 8.240 7.645 13.163 900 HA ASN 121 HA ASN 121 9.048 4.943 12.976 901 HB2 ASN 121 1HB ASN 121 6.750 6.493 14.035 902 HB3 ASN 121 2HB ASN 121 6.258 4.959 13.345 903 HD21 ASN 121 1HD2 ASN 121 5.667 4.433 15.528 904 HD22 ASN 121 2HD2 ASN 121 6.843 3.812 16.638 905 H VAL 122 H VAL 122 6.931 7.235 11.177 906 HA VAL 122 HA VAL 122 5.735 5.306 9.506 907 HB VAL 122 HB VAL 122 6.023 8.279 9.570 908 HG11 VAL 122 1HG1 VAL 122 6.360 7.818 7.217 909 HG12 VAL 122 2HG1 VAL 122 4.971 6.706 7.195 910 HG13 VAL 122 3HG1 VAL 122 4.713 8.448 7.457 911 HG21 VAL 122 1HG2 VAL 122 4.271 6.900 10.838 912 HG22 VAL 122 2HG2 VAL 122 3.682 8.271 9.866 913 HG23 VAL 122 3HG2 VAL 122 3.522 6.609 9.250 914 H SER 123 H SER 123 8.299 7.785 8.774 915 HA SER 123 HA SER 123 8.940 6.883 6.317 916 HB2 SER 123 1HB SER 123 9.889 8.932 7.162 917 HB3 SER 123 2HB SER 123 10.678 8.107 8.492 918 HG SER 123 HG SER 123 12.296 8.416 6.992 919 H GLU 124 H GLU 124 9.909 5.580 9.510 920 HA GLU 124 HA GLU 124 11.901 3.888 8.506 921 HB2 GLU 124 1HB GLU 124 10.392 4.183 11.087 922 HB3 GLU 124 2HB GLU 124 11.230 2.667 10.820 923 HG2 GLU 124 1HG GLU 124 12.851 5.055 10.117 924 HG3 GLU 124 2HG GLU 124 12.394 4.994 11.808 925 H ALA 125 H ALA 125 8.512 3.211 9.657 926 HA ALA 125 HA ALA 125 8.387 0.564 9.062 927 HB1 ALA 125 1HB ALA 125 6.094 2.441 8.454 928 HB2 ALA 125 2HB ALA 125 6.052 0.823 9.194 929 HB3 ALA 125 3HB ALA 125 6.670 2.211 10.122 930 H VAL 126 H VAL 126 8.461 3.338 6.853 931 HA VAL 126 HA VAL 126 7.618 1.758 4.600 932 HB VAL 126 HB VAL 126 8.692 4.568 4.898 933 HG11 VAL 126 1HG1 VAL 126 8.924 3.158 2.609 934 HG12 VAL 126 2HG1 VAL 126 7.261 3.763 2.419 935 HG13 VAL 126 3HG1 VAL 126 8.604 4.908 2.653 936 HG21 VAL 126 1HG2 VAL 126 5.965 3.343 4.861 937 HG22 VAL 126 2HG2 VAL 126 6.590 4.723 5.795 938 HG23 VAL 126 3HG2 VAL 126 6.183 4.924 4.074 939 H GLN 127 H GLN 127 10.670 3.229 5.873 940 HA GLN 127 HA GLN 127 12.256 2.406 3.770 941 HB2 GLN 127 1HB GLN 127 12.877 2.991 6.690 942 HB3 GLN 127 2HB GLN 127 14.135 2.619 5.528 943 HG2 GLN 127 1HG GLN 127 12.212 4.677 4.582 944 HG3 GLN 127 2HG GLN 127 13.101 5.154 6.015 945 HE21 GLN 127 1HE2 GLN 127 15.020 6.006 5.763 946 HE22 GLN 127 2HE2 GLN 127 16.042 5.894 4.369 947 H ALA 128 H ALA 128 11.822 0.888 7.052 948 HA ALA 128 HA ALA 128 13.378 -1.308 6.728 949 HB1 ALA 128 1HB ALA 128 11.167 -2.276 8.099 950 HB2 ALA 128 2HB ALA 128 12.524 -1.377 8.820 951 HB3 ALA 128 3HB ALA 128 11.044 -0.516 8.336 952 H ALA 129 H ALA 129 10.324 -0.525 5.131 953 HA ALA 129 HA ALA 129 9.790 -3.204 4.302 954 HB1 ALA 129 1HB ALA 129 8.617 -1.024 2.714 955 HB2 ALA 129 2HB ALA 129 7.820 -2.300 3.665 956 HB3 ALA 129 3HB ALA 129 8.384 -0.814 4.466 957 H CYS 130 H CYS 130 11.171 -0.223 2.768 958 HA CYS 130 HA CYS 130 11.620 -1.455 0.294 959 HB2 CYS 130 1HB CYS 130 11.493 0.986 0.580 960 HB3 CYS 130 2HB CYS 130 12.970 0.971 1.523 961 HG CYS 130 HG CYS 130 12.414 0.869 -1.616 962 H SER 131 H SER 131 13.850 -0.598 3.048 963 HA SER 131 HA SER 131 16.133 -1.619 2.118 964 HB2 SER 131 1HB SER 131 15.489 -0.537 4.434 965 HB3 SER 131 2HB SER 131 15.311 -2.194 4.977 966 HG SER 131 HG SER 131 17.694 -1.041 3.795 967 H GLY 132 H GLY 132 13.800 -3.496 4.201 968 HA2 GLY 132 1HA GLY 132 13.755 -5.791 2.624 969 HA3 GLY 132 2HA GLY 132 15.066 -5.985 3.770 970 HA PRO 133 HA PRO 133 10.789 -6.202 5.828 971 HB2 PRO 133 1HB PRO 133 9.272 -8.145 4.649 972 HB3 PRO 133 2HB PRO 133 9.058 -6.435 4.328 973 HG2 PRO 133 1HG PRO 133 10.313 -8.499 2.622 974 HG3 PRO 133 2HG PRO 133 9.713 -6.916 2.169 975 HD2 PRO 133 1HD PRO 133 12.456 -7.672 2.530 976 HD3 PRO 133 2HD PRO 133 11.848 -6.064 2.191 977 H SER 134 H SER 134 12.777 -6.949 7.049 978 HA SER 134 HA SER 134 12.158 -9.682 7.779 979 HB2 SER 134 1HB SER 134 14.550 -8.851 6.376 980 HB3 SER 134 2HB SER 134 15.003 -9.374 7.987 981 HG SER 134 HG SER 134 14.675 -10.987 6.019 982 H SER 135 H SER 135 13.254 -10.249 9.960 983 HA SER 135 HA SER 135 12.740 -8.106 11.717 984 HB2 SER 135 1HB SER 135 14.006 -10.819 12.303 985 HB3 SER 135 2HB SER 135 13.307 -9.735 13.490 986 HG SER 135 HG SER 135 11.268 -9.948 12.080 987 H GLY 136 H GLY 136 14.347 -7.390 13.448 988 HA2 GLY 136 1HA GLY 136 17.142 -7.778 12.993 989 HA3 GLY 136 2HA GLY 136 16.595 -6.229 12.382 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -23.787 -20.191 -19.032 2 HA2 GLY 1 1HA GLY 1 -21.154 -20.656 -19.009 3 HA3 GLY 1 2HA GLY 1 -21.302 -19.641 -20.430 4 H SER 2 H SER 2 -20.625 -17.607 -19.881 5 HA SER 2 HA SER 2 -20.532 -15.677 -18.895 6 HB2 SER 2 1HB SER 2 -23.199 -16.242 -18.835 7 HB3 SER 2 2HB SER 2 -22.905 -16.081 -17.114 8 HG SER 2 HG SER 2 -23.442 -14.026 -17.922 9 H SER 3 H SER 3 -19.065 -15.112 -17.321 10 HA SER 3 HA SER 3 -19.211 -16.644 -14.842 11 HB2 SER 3 1HB SER 3 -17.023 -16.347 -16.738 12 HB3 SER 3 2HB SER 3 -16.547 -15.688 -15.185 13 HG SER 3 HG SER 3 -16.142 -17.745 -14.712 14 H GLY 4 H GLY 4 -17.734 -13.653 -16.315 15 HA2 GLY 4 1HA GLY 4 -18.285 -11.481 -15.622 16 HA3 GLY 4 2HA GLY 4 -18.811 -12.097 -14.068 17 H SER 5 H SER 5 -17.149 -9.952 -13.961 18 HA SER 5 HA SER 5 -14.495 -11.066 -13.562 19 HB2 SER 5 1HB SER 5 -13.667 -8.789 -13.665 20 HB3 SER 5 2HB SER 5 -14.747 -9.034 -15.023 21 HG SER 5 HG SER 5 -14.969 -6.997 -13.617 22 H SER 6 H SER 6 -13.284 -10.261 -11.563 23 HA SER 6 HA SER 6 -14.609 -9.053 -9.472 24 HB2 SER 6 1HB SER 6 -15.573 -11.636 -9.768 25 HB3 SER 6 2HB SER 6 -14.294 -11.872 -8.594 26 HG SER 6 HG SER 6 -15.560 -11.015 -7.108 27 H GLY 7 H GLY 7 -13.285 -9.365 -7.331 28 HA2 GLY 7 1HA GLY 7 -10.583 -10.383 -7.799 29 HA3 GLY 7 2HA GLY 7 -10.756 -8.668 -7.483 30 HA PRO 8 HA PRO 8 -11.047 -11.247 -3.570 31 HB2 PRO 8 1HB PRO 8 -8.455 -11.773 -2.884 32 HB3 PRO 8 2HB PRO 8 -9.492 -12.942 -3.676 33 HG2 PRO 8 1HG PRO 8 -7.279 -11.353 -4.822 34 HG3 PRO 8 2HG PRO 8 -8.034 -12.802 -5.457 35 HD2 PRO 8 1HD PRO 8 -8.452 -10.113 -6.362 36 HD3 PRO 8 2HD PRO 8 -9.291 -11.547 -6.916 37 H THR 9 H THR 9 -9.801 -10.784 -1.317 38 HA THR 9 HA THR 9 -9.215 -7.903 -1.389 39 HB THR 9 HB THR 9 -10.646 -7.641 0.617 40 HG1 THR 9 1HG THR 9 -11.016 -9.543 1.682 41 HG21 THR 9 1HG2 THR 9 -12.547 -9.323 -0.911 42 HG22 THR 9 2HG2 THR 9 -12.623 -7.581 -0.553 43 HG23 THR 9 3HG2 THR 9 -11.670 -8.164 -1.938 44 HA PRO 10 HA PRO 10 -5.877 -8.907 1.109 45 HB2 PRO 10 1HB PRO 10 -5.484 -6.605 2.528 46 HB3 PRO 10 2HB PRO 10 -4.958 -6.810 0.869 47 HG2 PRO 10 1HG PRO 10 -7.258 -5.270 1.908 48 HG3 PRO 10 2HG PRO 10 -6.472 -5.149 0.346 49 HD2 PRO 10 1HD PRO 10 -8.978 -6.425 0.912 50 HD3 PRO 10 2HD PRO 10 -8.135 -6.405 -0.625 51 H LYS 11 H LYS 11 -5.081 -9.635 3.126 52 HA LYS 11 HA LYS 11 -6.643 -9.165 5.436 53 HB2 LYS 11 1HB LYS 11 -7.495 -11.334 3.716 54 HB3 LYS 11 2HB LYS 11 -6.948 -11.962 5.257 55 HG2 LYS 11 1HG LYS 11 -8.438 -10.382 6.462 56 HG3 LYS 11 2HG LYS 11 -8.944 -9.670 4.943 57 HD2 LYS 11 1HD LYS 11 -9.726 -12.038 4.251 58 HD3 LYS 11 2HD LYS 11 -9.474 -12.508 5.920 59 HE2 LYS 11 1HE LYS 11 -11.056 -10.711 6.663 60 HE3 LYS 11 2HE LYS 11 -11.308 -10.244 4.993 61 HZ1 LYS 11 1HZ LYS 11 -12.619 -11.991 4.651 62 HZ2 LYS 11 2HZ LYS 11 -11.696 -13.031 5.508 63 HZ3 LYS 11 3HZ LYS 11 -12.758 -12.058 6.277 64 H THR 12 H THR 12 -5.865 -10.909 7.210 65 HA THR 12 HA THR 12 -4.028 -11.264 8.472 66 HB THR 12 HB THR 12 -2.775 -13.237 7.577 67 HG1 THR 12 1HG THR 12 -4.358 -12.737 5.177 68 HG21 THR 12 1HG2 THR 12 -4.703 -14.683 6.913 69 HG22 THR 12 2HG2 THR 12 -5.121 -13.686 8.326 70 HG23 THR 12 3HG2 THR 12 -5.715 -13.234 6.711 71 H GLU 13 H GLU 13 -1.334 -11.940 7.710 72 HA GLU 13 HA GLU 13 0.583 -10.977 7.378 73 HB2 GLU 13 1HB GLU 13 -0.971 -10.259 5.071 74 HB3 GLU 13 2HB GLU 13 0.014 -8.870 5.488 75 HG2 GLU 13 1HG GLU 13 1.980 -9.931 4.950 76 HG3 GLU 13 2HG GLU 13 1.470 -11.456 5.646 77 H LEU 14 H LEU 14 1.790 -9.435 8.487 78 HA LEU 14 HA LEU 14 0.387 -7.652 10.145 79 HB2 LEU 14 1HB LEU 14 3.175 -8.459 9.653 80 HB3 LEU 14 2HB LEU 14 2.982 -6.822 10.250 81 HG LEU 14 HG LEU 14 3.347 -8.250 12.122 82 HD11 LEU 14 1HD1 LEU 14 1.857 -7.183 13.377 83 HD12 LEU 14 2HD1 LEU 14 1.093 -6.623 11.870 84 HD13 LEU 14 3HD1 LEU 14 0.503 -8.099 12.672 85 HD21 LEU 14 1HD2 LEU 14 2.911 -10.423 11.565 86 HD22 LEU 14 2HD2 LEU 14 1.473 -10.065 12.552 87 HD23 LEU 14 3HD2 LEU 14 1.364 -10.034 10.775 88 H VAL 15 H VAL 15 -0.156 -5.519 9.929 89 HA VAL 15 HA VAL 15 0.975 -4.102 7.631 90 HB VAL 15 HB VAL 15 -1.944 -4.403 8.347 91 HG11 VAL 15 1HG1 VAL 15 -2.469 -2.761 6.653 92 HG12 VAL 15 2HG1 VAL 15 -1.357 -2.031 7.837 93 HG13 VAL 15 3HG1 VAL 15 -0.746 -2.562 6.251 94 HG21 VAL 15 1HG2 VAL 15 -1.072 -4.759 5.559 95 HG22 VAL 15 2HG2 VAL 15 -0.373 -5.940 6.692 96 HG23 VAL 15 3HG2 VAL 15 -2.140 -5.765 6.567 97 H GLN 16 H GLN 16 1.008 -1.771 7.889 98 HA GLN 16 HA GLN 16 0.533 -0.976 10.654 99 HB2 GLN 16 1HB GLN 16 3.016 -0.898 9.080 100 HB3 GLN 16 2HB GLN 16 2.598 0.682 9.712 101 HG2 GLN 16 1HG GLN 16 2.283 -0.398 12.002 102 HG3 GLN 16 2HG GLN 16 2.900 -1.893 11.325 103 HE21 GLN 16 1HE2 GLN 16 4.990 -1.599 10.023 104 HE22 GLN 16 2HE2 GLN 16 6.241 -0.659 10.767 105 H LYS 17 H LYS 17 -1.156 0.443 10.646 106 HA LYS 17 HA LYS 17 -1.389 2.216 8.323 107 HB2 LYS 17 1HB LYS 17 -3.364 0.917 10.156 108 HB3 LYS 17 2HB LYS 17 -3.769 2.486 9.491 109 HG2 LYS 17 1HG LYS 17 -3.704 1.707 7.250 110 HG3 LYS 17 2HG LYS 17 -2.704 0.325 7.652 111 HD2 LYS 17 1HD LYS 17 -5.074 0.032 9.210 112 HD3 LYS 17 2HD LYS 17 -5.616 0.536 7.621 113 HE2 LYS 17 1HE LYS 17 -4.069 -1.289 6.650 114 HE3 LYS 17 2HE LYS 17 -3.863 -1.869 8.291 115 HZ1 LYS 17 1HZ LYS 17 -5.800 -2.678 6.730 116 HZ2 LYS 17 2HZ LYS 17 -5.960 -2.624 8.354 117 HZ3 LYS 17 3HZ LYS 17 -6.579 -1.427 7.432 118 H PHE 18 H PHE 18 -0.911 4.336 8.557 119 HA PHE 18 HA PHE 18 -0.887 5.368 11.305 120 HB2 PHE 18 1HB PHE 18 0.985 5.710 8.900 121 HB3 PHE 18 2HB PHE 18 0.995 6.876 10.208 122 HD1 PHE 18 1HD PHE 18 1.572 6.072 12.539 123 HD2 PHE 18 2HD PHE 18 2.149 3.669 9.089 124 HE1 PHE 18 1HE PHE 18 3.174 4.623 13.816 125 HE2 PHE 18 2HE PHE 18 3.752 2.220 10.367 126 HZ PHE 18 HZ PHE 18 4.245 2.714 12.715 127 H ARG 19 H ARG 19 -2.457 6.880 11.559 128 HA ARG 19 HA ARG 19 -3.779 7.970 9.378 129 HB2 ARG 19 1HB ARG 19 -4.430 7.708 11.961 130 HB3 ARG 19 2HB ARG 19 -3.781 9.331 12.086 131 HG2 ARG 19 1HG ARG 19 -5.447 9.336 9.767 132 HG3 ARG 19 2HG ARG 19 -6.341 8.463 10.995 133 HD2 ARG 19 1HD ARG 19 -5.243 10.667 12.384 134 HD3 ARG 19 2HD ARG 19 -5.724 11.335 10.837 135 HE ARG 19 HE ARG 19 -7.949 11.095 11.487 136 HH11 ARG 19 2HH2 ARG 19 -5.992 8.842 13.351 137 HH12 ARG 19 1HH2 ARG 19 -7.317 8.298 14.326 138 HH21 ARG 19 2HH1 ARG 19 -9.697 10.378 12.772 139 HH22 ARG 19 1HH1 ARG 19 -9.439 9.178 13.994 140 H VAL 20 H VAL 20 -2.571 9.229 7.936 141 HA VAL 20 HA VAL 20 -1.249 11.570 9.121 142 HB VAL 20 HB VAL 20 0.500 11.398 7.500 143 HG11 VAL 20 1HG1 VAL 20 0.594 8.567 8.257 144 HG12 VAL 20 2HG1 VAL 20 1.667 9.912 8.712 145 HG13 VAL 20 3HG1 VAL 20 0.153 9.639 9.607 146 HG21 VAL 20 1HG2 VAL 20 -0.698 10.554 5.583 147 HG22 VAL 20 2HG2 VAL 20 0.649 9.448 5.943 148 HG23 VAL 20 3HG2 VAL 20 -1.012 9.006 6.403 149 H GLN 21 H GLN 21 -1.192 13.474 7.665 150 HA GLN 21 HA GLN 21 -3.669 13.574 6.210 151 HB2 GLN 21 1HB GLN 21 -1.724 15.589 7.313 152 HB3 GLN 21 2HB GLN 21 -2.755 16.091 5.988 153 HG2 GLN 21 1HG GLN 21 -4.775 15.488 7.251 154 HG3 GLN 21 2HG GLN 21 -3.813 14.782 8.535 155 HE21 GLN 21 1HE2 GLN 21 -5.318 17.545 7.352 156 HE22 GLN 21 2HE2 GLN 21 -4.685 18.730 8.446 157 H TYR 22 H TYR 22 -3.862 14.143 3.973 158 HA TYR 22 HA TYR 22 -1.468 13.482 2.445 159 HB2 TYR 22 1HB TYR 22 -3.993 12.569 2.288 160 HB3 TYR 22 2HB TYR 22 -4.305 14.079 1.454 161 HD1 TYR 22 2HD TYR 22 -1.160 13.707 0.400 162 HD2 TYR 22 1HD TYR 22 -4.870 11.603 0.071 163 HE1 TYR 22 2HE TYR 22 -0.381 12.661 -1.783 164 HE2 TYR 22 1HE TYR 22 -4.079 10.564 -2.111 165 HH TYR 22 HH TYR 22 -2.471 11.155 -3.904 166 H LEU 23 H LEU 23 -0.175 15.284 2.206 167 HA LEU 23 HA LEU 23 -1.215 17.886 1.986 168 HB2 LEU 23 1HB LEU 23 1.427 16.560 1.708 169 HB3 LEU 23 2HB LEU 23 1.245 18.133 0.956 170 HG LEU 23 HG LEU 23 0.187 18.576 3.461 171 HD11 LEU 23 1HD1 LEU 23 2.558 17.480 4.550 172 HD12 LEU 23 2HD1 LEU 23 0.870 17.059 4.925 173 HD13 LEU 23 3HD1 LEU 23 1.745 16.177 3.651 174 HD21 LEU 23 1HD2 LEU 23 1.834 20.124 3.635 175 HD22 LEU 23 2HD2 LEU 23 3.115 18.989 3.147 176 HD23 LEU 23 3HD2 LEU 23 2.052 19.713 1.917 177 H GLY 24 H GLY 24 -0.007 15.496 -0.450 178 HA2 GLY 24 1HA GLY 24 -1.728 15.736 -2.422 179 HA3 GLY 24 2HA GLY 24 -0.890 17.264 -2.607 180 H MET 25 H MET 25 -0.656 15.728 -4.767 181 HA MET 25 HA MET 25 1.878 14.323 -4.432 182 HB2 MET 25 1HB MET 25 -0.325 13.189 -5.374 183 HB3 MET 25 2HB MET 25 0.005 14.101 -6.833 184 HG2 MET 25 1HG MET 25 2.380 13.071 -6.779 185 HG3 MET 25 2HG MET 25 1.785 11.994 -5.531 186 HE1 MET 25 1HE MET 25 0.990 12.111 -9.942 187 HE2 MET 25 2HE MET 25 -0.210 13.136 -9.119 188 HE3 MET 25 3HE MET 25 1.528 13.429 -8.874 189 H LEU 26 H LEU 26 3.595 15.585 -5.008 190 HA LEU 26 HA LEU 26 3.186 17.413 -7.270 191 HB2 LEU 26 1HB LEU 26 3.680 18.367 -4.983 192 HB3 LEU 26 2HB LEU 26 5.264 17.627 -5.094 193 HG LEU 26 HG LEU 26 4.545 19.295 -7.419 194 HD11 LEU 26 1HD1 LEU 26 4.707 20.479 -4.647 195 HD12 LEU 26 2HD1 LEU 26 5.094 21.412 -6.112 196 HD13 LEU 26 3HD1 LEU 26 3.465 20.728 -5.897 197 HD21 LEU 26 1HD2 LEU 26 6.970 19.320 -5.605 198 HD22 LEU 26 2HD2 LEU 26 6.773 18.262 -7.023 199 HD23 LEU 26 3HD2 LEU 26 6.826 20.029 -7.232 200 HA PRO 27 HA PRO 27 5.972 14.792 -9.330 201 HB2 PRO 27 1HB PRO 27 6.094 16.155 -11.696 202 HB3 PRO 27 2HB PRO 27 4.823 15.011 -11.314 203 HG2 PRO 27 1HG PRO 27 4.705 17.964 -11.358 204 HG3 PRO 27 2HG PRO 27 3.386 16.812 -11.401 205 HD2 PRO 27 1HD PRO 27 4.236 18.365 -9.144 206 HD3 PRO 27 2HD PRO 27 2.993 17.129 -9.158 207 H VAL 28 H VAL 28 8.157 14.558 -9.893 208 HA VAL 28 HA VAL 28 9.675 17.039 -9.663 209 HB VAL 28 HB VAL 28 11.192 16.086 -8.059 210 HG11 VAL 28 1HG1 VAL 28 8.602 15.468 -6.720 211 HG12 VAL 28 2HG1 VAL 28 9.929 16.542 -6.217 212 HG13 VAL 28 3HG1 VAL 28 8.771 17.080 -7.457 213 HG21 VAL 28 1HG2 VAL 28 10.877 13.922 -7.019 214 HG22 VAL 28 2HG2 VAL 28 9.387 13.647 -7.953 215 HG23 VAL 28 3HG2 VAL 28 10.959 13.714 -8.785 216 H ASP 29 H ASP 29 11.565 17.054 -10.913 217 HA ASP 29 HA ASP 29 11.579 15.141 -12.980 218 HB2 ASP 29 1HB ASP 29 13.160 17.583 -12.223 219 HB3 ASP 29 2HB ASP 29 13.936 16.462 -13.324 220 H ARG 30 H ARG 30 13.692 15.995 -10.159 221 HA ARG 30 HA ARG 30 15.556 13.962 -10.773 222 HB2 ARG 30 1HB ARG 30 15.324 16.185 -8.915 223 HB3 ARG 30 2HB ARG 30 15.774 14.751 -8.014 224 HG2 ARG 30 1HG ARG 30 17.207 15.629 -10.562 225 HG3 ARG 30 2HG ARG 30 17.724 16.119 -8.961 226 HD2 ARG 30 1HD ARG 30 18.794 14.140 -8.650 227 HD3 ARG 30 2HD ARG 30 17.314 13.249 -8.944 228 HE ARG 30 HE ARG 30 18.043 13.907 -11.492 229 HH11 ARG 30 2HH2 ARG 30 19.888 12.540 -8.825 230 HH12 ARG 30 1HH2 ARG 30 20.976 11.671 -9.855 231 HH21 ARG 30 2HH1 ARG 30 19.478 12.759 -12.851 232 HH22 ARG 30 1HH1 ARG 30 20.741 11.796 -12.161 233 HA PRO 31 HA PRO 31 13.121 10.890 -8.741 234 HB2 PRO 31 1HB PRO 31 14.594 8.720 -9.509 235 HB3 PRO 31 2HB PRO 31 13.321 9.411 -10.494 236 HG2 PRO 31 1HG PRO 31 16.250 9.624 -10.834 237 HG3 PRO 31 2HG PRO 31 14.984 9.930 -12.006 238 HD2 PRO 31 1HD PRO 31 16.505 11.893 -10.572 239 HD3 PRO 31 2HD PRO 31 15.162 12.195 -11.656 240 H VAL 32 H VAL 32 16.102 12.048 -7.996 241 HA VAL 32 HA VAL 32 15.923 10.791 -5.399 242 HB VAL 32 HB VAL 32 18.295 10.093 -5.462 243 HG11 VAL 32 1HG1 VAL 32 16.237 8.601 -6.003 244 HG12 VAL 32 2HG1 VAL 32 16.848 8.641 -7.674 245 HG13 VAL 32 3HG1 VAL 32 17.866 7.985 -6.369 246 HG21 VAL 32 1HG2 VAL 32 19.667 10.535 -7.169 247 HG22 VAL 32 2HG2 VAL 32 18.523 9.852 -8.350 248 HG23 VAL 32 3HG2 VAL 32 18.377 11.554 -7.851 249 H GLY 33 H GLY 33 16.928 12.047 -3.761 250 HA2 GLY 33 1HA GLY 33 18.679 13.852 -3.496 251 HA3 GLY 33 2HA GLY 33 17.746 14.729 -4.692 252 H MET 34 H MET 34 18.347 15.167 -1.690 253 HA MET 34 HA MET 34 15.758 14.918 -0.511 254 HB2 MET 34 1HB MET 34 18.479 16.006 0.326 255 HB3 MET 34 2HB MET 34 17.075 16.353 1.317 256 HG2 MET 34 1HG MET 34 16.847 13.594 0.820 257 HG3 MET 34 2HG MET 34 18.572 13.825 1.018 258 HE1 MET 34 1HE MET 34 15.372 13.445 3.873 259 HE2 MET 34 2HE MET 34 15.152 15.144 3.389 260 HE3 MET 34 3HE MET 34 15.220 13.867 2.150 261 H ASP 35 H ASP 35 17.855 17.510 -1.866 262 HA ASP 35 HA ASP 35 16.582 19.707 -1.012 263 HB2 ASP 35 1HB ASP 35 17.751 19.031 -3.741 264 HB3 ASP 35 2HB ASP 35 17.150 20.639 -3.387 265 H THR 36 H THR 36 15.935 18.086 -4.224 266 HA THR 36 HA THR 36 13.629 19.465 -4.848 267 HB THR 36 HB THR 36 14.756 16.720 -5.541 268 HG1 THR 36 1HG THR 36 15.592 18.045 -7.117 269 HG21 THR 36 1HG2 THR 36 13.076 17.012 -7.552 270 HG22 THR 36 2HG2 THR 36 12.460 16.305 -6.039 271 HG23 THR 36 3HG2 THR 36 12.144 18.016 -6.416 272 H LEU 37 H LEU 37 13.992 16.418 -2.946 273 HA LEU 37 HA LEU 37 11.341 15.806 -2.672 274 HB2 LEU 37 1HB LEU 37 13.215 14.408 -1.960 275 HB3 LEU 37 2HB LEU 37 13.569 15.518 -0.651 276 HG LEU 37 HG LEU 37 10.936 14.923 -0.155 277 HD11 LEU 37 1HD1 LEU 37 11.667 12.171 -0.396 278 HD12 LEU 37 2HD1 LEU 37 10.275 13.030 -1.097 279 HD13 LEU 37 3HD1 LEU 37 11.811 12.943 -1.993 280 HD21 LEU 37 1HD2 LEU 37 12.529 14.993 1.585 281 HD22 LEU 37 2HD2 LEU 37 11.890 13.332 1.579 282 HD23 LEU 37 3HD2 LEU 37 13.488 13.673 0.873 283 H ASN 38 H ASN 38 13.285 17.686 -0.236 284 HA ASN 38 HA ASN 38 11.182 18.455 1.281 285 HB2 ASN 38 1HB ASN 38 13.781 19.917 0.601 286 HB3 ASN 38 2HB ASN 38 12.677 20.511 1.825 287 HD21 ASN 38 1HD2 ASN 38 14.846 17.946 0.876 288 HD22 ASN 38 2HD2 ASN 38 15.049 17.203 2.427 289 H SER 39 H SER 39 12.752 20.214 -1.499 290 HA SER 39 HA SER 39 11.373 22.481 -1.544 291 HB2 SER 39 1HB SER 39 13.096 21.322 -3.247 292 HB3 SER 39 2HB SER 39 11.636 21.028 -4.170 293 HG SER 39 HG SER 39 11.637 23.621 -3.259 294 H ALA 40 H ALA 40 10.243 19.275 -2.773 295 HA ALA 40 HA ALA 40 7.847 20.164 -3.885 296 HB1 ALA 40 1HB ALA 40 8.370 17.470 -2.577 297 HB2 ALA 40 2HB ALA 40 7.258 17.837 -3.918 298 HB3 ALA 40 3HB ALA 40 9.018 17.924 -4.172 299 H ILE 41 H ILE 41 8.643 18.916 -0.575 300 HA ILE 41 HA ILE 41 6.080 19.007 0.445 301 HB ILE 41 HB ILE 41 8.778 19.361 1.742 302 HG12 ILE 41 1HG1 ILE 41 6.951 16.956 1.823 303 HG13 ILE 41 2HG1 ILE 41 8.119 17.190 0.537 304 HG21 ILE 41 1HG2 ILE 41 7.029 18.452 3.694 305 HG22 ILE 41 2HG2 ILE 41 7.722 20.086 3.563 306 HG23 ILE 41 3HG2 ILE 41 6.119 19.741 2.871 307 HD11 ILE 41 1HD1 ILE 41 8.603 16.704 3.477 308 HD12 ILE 41 2HD1 ILE 41 9.379 15.946 2.066 309 HD13 ILE 41 3HD1 ILE 41 9.819 17.605 2.540 310 H GLU 42 H GLU 42 8.678 21.520 0.874 311 HA GLU 42 HA GLU 42 7.163 23.390 2.067 312 HB2 GLU 42 1HB GLU 42 9.577 23.443 0.306 313 HB3 GLU 42 2HB GLU 42 8.765 24.980 0.526 314 HG2 GLU 42 1HG GLU 42 8.822 24.534 3.054 315 HG3 GLU 42 2HG GLU 42 9.849 23.154 2.718 316 H ASN 43 H ASN 43 7.281 22.542 -1.411 317 HA ASN 43 HA ASN 43 5.921 24.769 -2.334 318 HB2 ASN 43 1HB ASN 43 7.132 22.657 -3.534 319 HB3 ASN 43 2HB ASN 43 5.482 22.076 -3.635 320 HD21 ASN 43 1HD2 ASN 43 7.647 23.327 -5.482 321 HD22 ASN 43 2HD2 ASN 43 6.767 24.454 -6.461 322 H LEU 44 H LEU 44 4.796 21.375 -1.599 323 HA LEU 44 HA LEU 44 2.087 21.884 -2.024 324 HB2 LEU 44 1HB LEU 44 3.747 19.758 -0.818 325 HB3 LEU 44 2HB LEU 44 2.084 19.821 -0.268 326 HG LEU 44 HG LEU 44 2.984 19.575 -3.152 327 HD11 LEU 44 1HD1 LEU 44 3.106 17.611 -1.309 328 HD12 LEU 44 2HD1 LEU 44 1.420 17.422 -1.850 329 HD13 LEU 44 3HD1 LEU 44 2.749 17.334 -3.031 330 HD21 LEU 44 1HD2 LEU 44 0.238 19.760 -1.910 331 HD22 LEU 44 2HD2 LEU 44 0.943 20.748 -3.212 332 HD23 LEU 44 3HD2 LEU 44 0.521 19.045 -3.515 333 H MET 45 H MET 45 4.207 22.249 0.844 334 HA MET 45 HA MET 45 2.400 22.499 2.806 335 HB2 MET 45 1HB MET 45 5.072 23.691 2.159 336 HB3 MET 45 2HB MET 45 4.174 24.567 3.383 337 HG2 MET 45 1HG MET 45 3.827 21.896 4.158 338 HG3 MET 45 2HG MET 45 5.469 21.910 3.548 339 HE1 MET 45 1HE MET 45 5.316 22.330 7.592 340 HE2 MET 45 2HE MET 45 3.829 21.899 6.714 341 HE3 MET 45 3HE MET 45 5.372 21.124 6.284 342 H THR 46 H THR 46 3.518 25.198 0.638 343 HA THR 46 HA THR 46 1.642 27.042 1.724 344 HB THR 46 HB THR 46 2.475 28.419 -0.240 345 HG1 THR 46 1HG THR 46 3.339 27.187 -1.861 346 HG21 THR 46 1HG2 THR 46 4.828 26.904 0.971 347 HG22 THR 46 2HG2 THR 46 4.754 28.614 0.483 348 HG23 THR 46 3HG2 THR 46 3.887 28.065 1.937 349 H SER 47 H SER 47 1.714 24.933 -1.195 350 HA SER 47 HA SER 47 -0.331 25.831 -2.590 351 HB2 SER 47 1HB SER 47 0.311 22.956 -1.832 352 HB3 SER 47 2HB SER 47 -0.913 23.347 -3.023 353 HG SER 47 HG SER 47 1.161 22.948 -4.015 354 H SER 48 H SER 48 -1.123 23.002 -0.493 355 HA SER 48 HA SER 48 -3.675 24.258 0.015 356 HB2 SER 48 1HB SER 48 -2.634 21.419 0.361 357 HB3 SER 48 2HB SER 48 -4.197 21.915 0.979 358 HG SER 48 HG SER 48 -5.020 21.835 -0.998 359 H SER 49 H SER 49 -4.592 24.229 2.254 360 HA SER 49 HA SER 49 -2.654 25.126 4.083 361 HB2 SER 49 1HB SER 49 -5.580 24.427 4.587 362 HB3 SER 49 2HB SER 49 -4.569 25.426 5.611 363 HG SER 49 HG SER 49 -6.107 26.313 3.696 364 H LYS 50 H LYS 50 -2.912 24.207 6.529 365 HA LYS 50 HA LYS 50 -1.881 21.587 6.428 366 HB2 LYS 50 1HB LYS 50 -0.990 22.785 8.164 367 HB3 LYS 50 2HB LYS 50 -2.489 23.614 8.528 368 HG2 LYS 50 1HG LYS 50 -3.400 21.713 9.676 369 HG3 LYS 50 2HG LYS 50 -2.214 20.621 8.990 370 HD2 LYS 50 1HD LYS 50 -0.552 22.403 10.264 371 HD3 LYS 50 2HD LYS 50 -1.957 22.491 11.308 372 HE2 LYS 50 1HE LYS 50 -1.551 19.713 10.720 373 HE3 LYS 50 2HE LYS 50 0.024 20.376 11.108 374 HZ1 LYS 50 1HZ LYS 50 -2.299 20.956 12.785 375 HZ2 LYS 50 2HZ LYS 50 -1.425 19.594 12.999 376 HZ3 LYS 50 3HZ LYS 50 -0.716 21.054 13.174 377 H GLU 51 H GLU 51 -5.002 22.950 7.690 378 HA GLU 51 HA GLU 51 -6.027 20.427 8.300 379 HB2 GLU 51 1HB GLU 51 -7.371 23.120 7.828 380 HB3 GLU 51 2HB GLU 51 -8.246 21.702 8.370 381 HG2 GLU 51 1HG GLU 51 -5.802 22.155 9.955 382 HG3 GLU 51 2HG GLU 51 -6.876 23.538 10.003 383 H ASP 52 H ASP 52 -6.037 22.465 5.368 384 HA ASP 52 HA ASP 52 -8.076 21.400 3.977 385 HB2 ASP 52 1HB ASP 52 -5.413 22.567 3.303 386 HB3 ASP 52 2HB ASP 52 -6.136 21.619 2.018 387 H TRP 53 H TRP 53 -5.028 19.924 4.968 388 HA TRP 53 HA TRP 53 -5.001 17.863 3.000 389 HB2 TRP 53 1HB TRP 53 -3.602 17.876 5.672 390 HB3 TRP 53 2HB TRP 53 -3.183 16.954 4.242 391 HD1 TRP 53 HD TRP 53 -3.354 19.473 2.140 392 HE1 TRP 53 1HE TRP 53 -1.455 21.304 2.069 393 HE3 TRP 53 3HE TRP 53 -1.582 18.571 6.820 394 HZ2 TRP 53 2HZ TRP 53 0.530 22.151 3.936 395 HZ3 TRP 53 3HZ TRP 53 0.338 19.944 7.619 396 HH2 TRP 53 HH TRP 53 1.389 21.684 6.260 397 HA PRO 54 HA PRO 54 -8.097 15.529 5.038 398 HB2 PRO 54 1HB PRO 54 -8.201 13.442 3.277 399 HB3 PRO 54 2HB PRO 54 -9.085 14.937 3.044 400 HG2 PRO 54 1HG PRO 54 -6.638 13.998 1.676 401 HG3 PRO 54 2HG PRO 54 -7.759 15.251 1.182 402 HD2 PRO 54 1HD PRO 54 -5.167 15.630 2.351 403 HD3 PRO 54 2HD PRO 54 -6.336 16.878 1.965 404 H SER 55 H SER 55 -8.235 14.031 6.644 405 HA SER 55 HA SER 55 -5.729 12.968 7.381 406 HB2 SER 55 1HB SER 55 -7.962 11.744 8.791 407 HB3 SER 55 2HB SER 55 -6.724 12.819 9.408 408 HG SER 55 HG SER 55 -8.813 13.781 9.637 409 H VAL 56 H VAL 56 -4.887 11.329 6.105 410 HA VAL 56 HA VAL 56 -6.720 9.128 5.449 411 HB VAL 56 HB VAL 56 -5.346 8.688 3.541 412 HG11 VAL 56 1HG1 VAL 56 -5.605 11.680 3.424 413 HG12 VAL 56 2HG1 VAL 56 -6.015 10.453 2.201 414 HG13 VAL 56 3HG1 VAL 56 -7.061 10.676 3.624 415 HG21 VAL 56 1HG2 VAL 56 -3.218 9.534 4.843 416 HG22 VAL 56 2HG2 VAL 56 -3.285 9.614 3.066 417 HG23 VAL 56 3HG2 VAL 56 -3.593 11.075 4.034 418 H ASN 57 H ASN 57 -5.331 6.978 5.129 419 HA ASN 57 HA ASN 57 -3.617 6.841 7.484 420 HB2 ASN 57 1HB ASN 57 -5.573 4.843 6.265 421 HB3 ASN 57 2HB ASN 57 -4.298 4.298 7.336 422 HD21 ASN 57 1HD2 ASN 57 -7.408 4.890 7.303 423 HD22 ASN 57 2HD2 ASN 57 -7.706 5.525 8.887 424 H MET 58 H MET 58 -1.625 5.617 7.245 425 HA MET 58 HA MET 58 -0.973 5.080 4.458 426 HB2 MET 58 1HB MET 58 0.418 6.781 5.694 427 HB3 MET 58 2HB MET 58 0.816 5.577 6.904 428 HG2 MET 58 1HG MET 58 2.662 5.204 5.590 429 HG3 MET 58 2HG MET 58 1.567 4.226 4.634 430 HE1 MET 58 1HE MET 58 2.375 7.676 5.535 431 HE2 MET 58 2HE MET 58 3.553 8.010 4.243 432 HE3 MET 58 3HE MET 58 1.900 8.661 4.131 433 H ASN 59 H ASN 59 -1.360 2.936 4.007 434 HA ASN 59 HA ASN 59 -1.034 0.992 6.050 435 HB2 ASN 59 1HB ASN 59 -2.799 0.724 4.339 436 HB3 ASN 59 2HB ASN 59 -1.613 0.775 3.050 437 HD21 ASN 59 1HD2 ASN 59 -3.606 -1.251 4.213 438 HD22 ASN 59 2HD2 ASN 59 -2.718 -2.734 4.314 439 H VAL 60 H VAL 60 0.739 -0.458 6.275 440 HA VAL 60 HA VAL 60 2.786 -0.368 4.187 441 HB VAL 60 HB VAL 60 3.255 -0.028 7.156 442 HG11 VAL 60 1HG1 VAL 60 5.574 -0.043 6.744 443 HG12 VAL 60 2HG1 VAL 60 4.943 -1.424 5.815 444 HG13 VAL 60 3HG1 VAL 60 5.353 0.096 4.983 445 HG21 VAL 60 1HG2 VAL 60 4.323 2.161 6.295 446 HG22 VAL 60 2HG2 VAL 60 3.371 1.879 4.818 447 HG23 VAL 60 3HG2 VAL 60 2.548 2.070 6.385 448 H ALA 61 H ALA 61 2.599 -2.427 3.406 449 HA ALA 61 HA ALA 61 3.287 -4.558 5.197 450 HB1 ALA 61 1HB ALA 61 0.495 -4.233 4.084 451 HB2 ALA 61 2HB ALA 61 1.170 -5.854 4.379 452 HB3 ALA 61 3HB ALA 61 1.005 -4.700 5.724 453 H ASP 62 H ASP 62 3.537 -6.653 3.916 454 HA ASP 62 HA ASP 62 4.682 -7.597 2.308 455 HB2 ASP 62 1HB ASP 62 2.127 -7.217 1.484 456 HB3 ASP 62 2HB ASP 62 2.935 -6.310 0.221 457 H ALA 63 H ALA 63 5.875 -5.107 3.023 458 HA ALA 63 HA ALA 63 7.187 -3.457 2.322 459 HB1 ALA 63 1HB ALA 63 8.003 -5.843 1.188 460 HB2 ALA 63 2HB ALA 63 7.944 -4.752 -0.217 461 HB3 ALA 63 3HB ALA 63 8.944 -4.332 1.194 462 H THR 64 H THR 64 4.661 -2.693 1.871 463 HA THR 64 HA THR 64 4.892 -1.265 -0.661 464 HB THR 64 HB THR 64 2.519 -3.018 0.166 465 HG1 THR 64 1HG THR 64 4.068 -4.253 -0.939 466 HG21 THR 64 1HG2 THR 64 2.908 -0.943 -2.028 467 HG22 THR 64 2HG2 THR 64 1.843 -2.346 -2.287 468 HG23 THR 64 3HG2 THR 64 1.491 -1.191 -0.980 469 H VAL 65 H VAL 65 3.617 0.682 -0.758 470 HA VAL 65 HA VAL 65 2.720 1.529 1.910 471 HB VAL 65 HB VAL 65 4.541 2.824 -0.075 472 HG11 VAL 65 1HG1 VAL 65 4.090 5.003 1.265 473 HG12 VAL 65 2HG1 VAL 65 2.967 4.549 -0.040 474 HG13 VAL 65 3HG1 VAL 65 2.526 4.249 1.659 475 HG21 VAL 65 1HG2 VAL 65 4.798 1.742 2.505 476 HG22 VAL 65 2HG2 VAL 65 6.011 2.678 1.599 477 HG23 VAL 65 3HG2 VAL 65 4.905 3.506 2.720 478 H THR 66 H THR 66 0.515 1.335 1.682 479 HA THR 66 HA THR 66 -0.647 2.670 -0.674 480 HB THR 66 HB THR 66 -1.724 0.365 1.035 481 HG1 THR 66 1HG THR 66 -0.687 0.614 -1.701 482 HG21 THR 66 1HG2 THR 66 -3.064 2.146 -0.774 483 HG22 THR 66 2HG2 THR 66 -2.805 0.621 -1.653 484 HG23 THR 66 3HG2 THR 66 -3.686 0.618 -0.107 485 H VAL 67 H VAL 67 -1.819 4.459 -0.364 486 HA VAL 67 HA VAL 67 -2.254 5.275 2.382 487 HB VAL 67 HB VAL 67 -2.693 6.691 -0.255 488 HG11 VAL 67 1HG1 VAL 67 -3.086 7.511 2.603 489 HG12 VAL 67 2HG1 VAL 67 -2.500 8.717 1.433 490 HG13 VAL 67 3HG1 VAL 67 -4.055 7.895 1.160 491 HG21 VAL 67 1HG2 VAL 67 -0.332 6.372 1.533 492 HG22 VAL 67 2HG2 VAL 67 -0.417 6.596 -0.231 493 HG23 VAL 67 3HG2 VAL 67 -0.620 7.992 0.856 494 H ILE 68 H ILE 68 -3.993 4.258 3.306 495 HA ILE 68 HA ILE 68 -6.399 3.984 1.680 496 HB ILE 68 HB ILE 68 -5.669 2.833 4.375 497 HG12 ILE 68 1HG1 ILE 68 -5.479 1.764 1.564 498 HG13 ILE 68 2HG1 ILE 68 -4.256 1.788 2.819 499 HG21 ILE 68 1HG2 ILE 68 -8.093 3.162 4.099 500 HG22 ILE 68 2HG2 ILE 68 -8.040 2.222 2.589 501 HG23 ILE 68 3HG2 ILE 68 -7.644 1.440 4.138 502 HD11 ILE 68 1HD1 ILE 68 -6.628 -0.050 2.511 503 HD12 ILE 68 2HD1 ILE 68 -4.942 -0.441 2.927 504 HD13 ILE 68 3HD1 ILE 68 -6.014 0.287 4.148 505 H SER 69 H SER 69 -8.452 4.796 2.405 506 HA SER 69 HA SER 69 -8.198 7.330 3.591 507 HB2 SER 69 1HB SER 69 -9.892 7.019 1.914 508 HB3 SER 69 2HB SER 69 -10.570 5.631 2.741 509 HG SER 69 HG SER 69 -11.281 7.039 4.458 510 H GLU 70 H GLU 70 -9.722 8.002 5.494 511 HA GLU 70 HA GLU 70 -9.108 6.227 7.645 512 HB2 GLU 70 1HB GLU 70 -8.747 8.412 8.327 513 HB3 GLU 70 2HB GLU 70 -10.050 9.056 7.349 514 HG2 GLU 70 1HG GLU 70 -11.733 8.143 8.918 515 HG3 GLU 70 2HG GLU 70 -10.474 7.374 9.864 516 H LYS 71 H LYS 71 -12.073 7.658 6.126 517 HA LYS 71 HA LYS 71 -13.734 5.938 7.760 518 HB2 LYS 71 1HB LYS 71 -14.270 8.187 5.820 519 HB3 LYS 71 2HB LYS 71 -15.561 7.152 6.394 520 HG2 LYS 71 1HG LYS 71 -13.641 8.491 8.338 521 HG3 LYS 71 2HG LYS 71 -15.049 9.339 7.730 522 HD2 LYS 71 1HD LYS 71 -16.528 7.516 8.583 523 HD3 LYS 71 2HD LYS 71 -15.125 6.645 9.172 524 HE2 LYS 71 1HE LYS 71 -14.805 8.078 10.967 525 HE3 LYS 71 2HE LYS 71 -15.350 9.489 10.083 526 HZ1 LYS 71 1HZ LYS 71 -17.093 9.136 11.455 527 HZ2 LYS 71 2HZ LYS 71 -17.602 8.225 10.199 528 HZ3 LYS 71 3HZ LYS 71 -16.923 7.513 11.502 529 H ASN 72 H ASN 72 -12.043 4.345 6.320 530 HA ASN 72 HA ASN 72 -13.788 2.708 4.999 531 HB2 ASN 72 1HB ASN 72 -12.976 4.863 3.317 532 HB3 ASN 72 2HB ASN 72 -12.017 3.494 2.791 533 HD21 ASN 72 1HD2 ASN 72 -14.743 5.107 2.203 534 HD22 ASN 72 2HD2 ASN 72 -15.776 3.868 1.572 535 H GLU 73 H GLU 73 -12.435 0.916 3.735 536 HA GLU 73 HA GLU 73 -9.719 0.885 4.790 537 HB2 GLU 73 1HB GLU 73 -11.752 -1.386 4.828 538 HB3 GLU 73 2HB GLU 73 -10.043 -1.621 5.134 539 HG2 GLU 73 1HG GLU 73 -10.285 -0.938 7.281 540 HG3 GLU 73 2HG GLU 73 -10.949 0.596 6.756 541 H GLU 74 H GLU 74 -12.080 -0.542 2.440 542 HA GLU 74 HA GLU 74 -10.037 -1.628 0.838 543 HB2 GLU 74 1HB GLU 74 -12.970 -1.508 0.853 544 HB3 GLU 74 2HB GLU 74 -12.333 -1.344 -0.771 545 HG2 GLU 74 1HG GLU 74 -10.771 -3.389 -0.012 546 HG3 GLU 74 2HG GLU 74 -12.051 -3.654 1.155 547 H GLU 75 H GLU 75 -11.246 1.562 1.312 548 HA GLU 75 HA GLU 75 -10.821 2.443 -1.355 549 HB2 GLU 75 1HB GLU 75 -12.269 3.411 0.749 550 HB3 GLU 75 2HB GLU 75 -10.844 4.421 0.887 551 HG2 GLU 75 1HG GLU 75 -11.074 5.122 -1.483 552 HG3 GLU 75 2HG GLU 75 -12.446 4.052 -1.689 553 H VAL 76 H VAL 76 -8.784 2.516 -2.207 554 HA VAL 76 HA VAL 76 -6.617 3.305 -0.391 555 HB VAL 76 HB VAL 76 -5.959 1.270 -1.140 556 HG11 VAL 76 1HG1 VAL 76 -7.793 0.544 -2.405 557 HG12 VAL 76 2HG1 VAL 76 -7.600 1.840 -3.609 558 HG13 VAL 76 3HG1 VAL 76 -6.439 0.493 -3.559 559 HG21 VAL 76 1HG2 VAL 76 -4.236 1.501 -2.740 560 HG22 VAL 76 2HG2 VAL 76 -5.096 2.797 -3.605 561 HG23 VAL 76 3HG2 VAL 76 -4.400 3.110 -1.997 562 H LEU 77 H LEU 77 -6.748 5.556 -0.514 563 HA LEU 77 HA LEU 77 -7.352 7.031 -2.740 564 HB2 LEU 77 1HB LEU 77 -5.608 7.599 -0.352 565 HB3 LEU 77 2HB LEU 77 -5.922 8.805 -1.584 566 HG LEU 77 HG LEU 77 -8.244 7.425 -0.277 567 HD11 LEU 77 1HD1 LEU 77 -6.271 8.701 1.249 568 HD12 LEU 77 2HD1 LEU 77 -7.586 9.890 1.088 569 HD13 LEU 77 3HD1 LEU 77 -7.925 8.273 1.750 570 HD21 LEU 77 1HD2 LEU 77 -9.394 9.490 -0.742 571 HD22 LEU 77 2HD2 LEU 77 -7.878 10.270 -1.254 572 HD23 LEU 77 3HD2 LEU 77 -8.564 8.940 -2.218 573 H VAL 78 H VAL 78 -4.109 5.864 -1.624 574 HA VAL 78 HA VAL 78 -3.238 6.078 -4.404 575 HB VAL 78 HB VAL 78 -2.017 7.393 -1.997 576 HG11 VAL 78 1HG1 VAL 78 0.052 7.740 -3.411 577 HG12 VAL 78 2HG1 VAL 78 -0.184 6.087 -2.794 578 HG13 VAL 78 3HG1 VAL 78 -0.564 6.466 -4.491 579 HG21 VAL 78 1HG2 VAL 78 -3.108 8.210 -4.623 580 HG22 VAL 78 2HG2 VAL 78 -3.040 9.093 -3.079 581 HG23 VAL 78 3HG2 VAL 78 -1.607 9.033 -4.134 582 H GLU 79 H GLU 79 -1.599 4.547 -4.978 583 HA GLU 79 HA GLU 79 -1.069 2.599 -2.878 584 HB2 GLU 79 1HB GLU 79 -2.840 1.695 -4.326 585 HB3 GLU 79 2HB GLU 79 -1.885 2.019 -5.759 586 HG2 GLU 79 1HG GLU 79 -0.100 0.519 -4.280 587 HG3 GLU 79 2HG GLU 79 -1.621 -0.181 -3.762 588 H CYS 80 H CYS 80 1.098 2.872 -2.486 589 HA CYS 80 HA CYS 80 2.816 3.002 -4.858 590 HB2 CYS 80 1HB CYS 80 3.073 4.422 -2.201 591 HB3 CYS 80 2HB CYS 80 4.455 4.174 -3.249 592 HG CYS 80 HG CYS 80 1.732 5.132 -4.719 593 H ARG 81 H ARG 81 4.703 1.647 -4.803 594 HA ARG 81 HA ARG 81 4.684 -0.224 -2.571 595 HB2 ARG 81 1HB ARG 81 5.227 -0.700 -5.538 596 HB3 ARG 81 2HB ARG 81 5.688 -1.866 -4.314 597 HG2 ARG 81 1HG ARG 81 3.520 -2.533 -3.935 598 HG3 ARG 81 2HG ARG 81 2.884 -0.906 -4.067 599 HD2 ARG 81 1HD ARG 81 3.194 -1.042 -6.584 600 HD3 ARG 81 2HD ARG 81 3.694 -2.711 -6.397 601 HE ARG 81 HE ARG 81 0.964 -1.663 -6.145 602 HH11 ARG 81 2HH2 ARG 81 3.127 -4.328 -5.367 603 HH12 ARG 81 1HH2 ARG 81 1.845 -5.475 -5.161 604 HH21 ARG 81 2HH1 ARG 81 -0.726 -3.176 -5.872 605 HH22 ARG 81 1HH1 ARG 81 -0.361 -4.816 -5.450 606 H VAL 82 H VAL 82 6.774 -0.923 -1.774 607 HA VAL 82 HA VAL 82 8.788 1.020 -1.951 608 HB VAL 82 HB VAL 82 10.016 -0.403 -0.504 609 HG11 VAL 82 1HG1 VAL 82 7.217 0.147 -0.074 610 HG12 VAL 82 2HG1 VAL 82 7.675 -1.353 0.767 611 HG13 VAL 82 3HG1 VAL 82 8.562 0.156 1.092 612 HG21 VAL 82 1HG2 VAL 82 8.401 -2.582 -1.766 613 HG22 VAL 82 2HG2 VAL 82 10.131 -2.530 -1.351 614 HG23 VAL 82 3HG2 VAL 82 8.917 -2.788 -0.075 615 H ARG 83 H ARG 83 7.978 -1.803 -3.886 616 HA ARG 83 HA ARG 83 10.570 -2.156 -4.914 617 HB2 ARG 83 1HB ARG 83 9.500 -3.702 -6.491 618 HB3 ARG 83 2HB ARG 83 8.778 -3.930 -4.910 619 HG2 ARG 83 1HG ARG 83 6.826 -3.763 -6.136 620 HG3 ARG 83 2HG ARG 83 7.065 -2.056 -5.823 621 HD2 ARG 83 1HD ARG 83 6.858 -1.901 -8.116 622 HD3 ARG 83 2HD ARG 83 8.571 -2.270 -8.078 623 HE ARG 83 HE ARG 83 8.115 -4.379 -8.987 624 HH11 ARG 83 2HH2 ARG 83 5.142 -3.020 -7.683 625 HH12 ARG 83 1HH2 ARG 83 4.137 -4.277 -8.322 626 HH21 ARG 83 2HH1 ARG 83 6.789 -6.038 -9.830 627 HH22 ARG 83 1HH1 ARG 83 5.080 -6.006 -9.551 628 H PHE 84 H PHE 84 8.100 0.197 -5.392 629 HA PHE 84 HA PHE 84 9.162 0.860 -8.045 630 HB2 PHE 84 1HB PHE 84 6.520 1.135 -6.566 631 HB3 PHE 84 2HB PHE 84 6.899 2.368 -7.752 632 HD1 PHE 84 2HD PHE 84 8.299 0.689 -9.798 633 HD2 PHE 84 1HD PHE 84 4.753 -0.014 -7.576 634 HE1 PHE 84 2HE PHE 84 7.451 -0.808 -11.626 635 HE2 PHE 84 1HE PHE 84 3.905 -1.511 -9.404 636 HZ PHE 84 HZ PHE 84 5.264 -1.890 -11.407 637 H LEU 85 H LEU 85 9.487 1.623 -4.791 638 HA LEU 85 HA LEU 85 9.426 4.460 -4.964 639 HB2 LEU 85 1HB LEU 85 9.771 2.426 -2.965 640 HB3 LEU 85 2HB LEU 85 11.049 3.616 -2.809 641 HG LEU 85 HG LEU 85 8.216 4.564 -3.073 642 HD11 LEU 85 1HD1 LEU 85 9.328 3.018 -0.794 643 HD12 LEU 85 2HD1 LEU 85 8.414 4.493 -0.398 644 HD13 LEU 85 3HD1 LEU 85 7.649 3.203 -1.356 645 HD21 LEU 85 1HD2 LEU 85 9.099 6.536 -2.566 646 HD22 LEU 85 2HD2 LEU 85 9.868 5.879 -1.101 647 HD23 LEU 85 3HD2 LEU 85 10.709 5.783 -2.666 648 H SER 86 H SER 86 11.158 5.935 -5.144 649 HA SER 86 HA SER 86 13.569 4.688 -6.209 650 HB2 SER 86 1HB SER 86 12.406 7.442 -6.820 651 HB3 SER 86 2HB SER 86 13.890 6.802 -7.499 652 HG SER 86 HG SER 86 12.763 5.675 -8.931 653 H PHE 87 H PHE 87 12.132 7.018 -3.945 654 HA PHE 87 HA PHE 87 14.335 6.974 -2.253 655 HB2 PHE 87 1HB PHE 87 15.168 8.390 -4.283 656 HB3 PHE 87 2HB PHE 87 13.948 9.572 -3.852 657 HD1 PHE 87 1HD PHE 87 14.120 10.778 -1.674 658 HD2 PHE 87 2HD PHE 87 17.221 8.250 -3.088 659 HE1 PHE 87 1HE PHE 87 15.725 11.850 -0.069 660 HE2 PHE 87 2HE PHE 87 18.826 9.322 -1.483 661 HZ PHE 87 HZ PHE 87 18.059 11.109 0.008 662 H MET 88 H MET 88 14.115 8.751 -0.487 663 HA MET 88 HA MET 88 11.654 10.119 -0.382 664 HB2 MET 88 1HB MET 88 10.600 8.830 1.430 665 HB3 MET 88 2HB MET 88 10.941 7.725 0.113 666 HG2 MET 88 1HG MET 88 13.177 8.005 2.059 667 HG3 MET 88 2HG MET 88 11.713 7.334 2.751 668 HE1 MET 88 1HE MET 88 10.231 6.048 0.897 669 HE2 MET 88 2HE MET 88 10.873 4.608 0.070 670 HE3 MET 88 3HE MET 88 10.763 4.640 1.846 671 H GLY 89 H GLY 89 11.593 9.845 2.662 672 HA2 GLY 89 1HA GLY 89 13.402 10.235 4.322 673 HA3 GLY 89 2HA GLY 89 14.035 11.428 3.205 674 H VAL 90 H VAL 90 13.232 11.997 5.920 675 HA VAL 90 HA VAL 90 10.622 13.175 5.832 676 HB VAL 90 HB VAL 90 12.890 13.168 7.822 677 HG11 VAL 90 1HG1 VAL 90 11.574 15.317 7.895 678 HG12 VAL 90 2HG1 VAL 90 10.132 14.346 8.277 679 HG13 VAL 90 3HG1 VAL 90 11.521 14.353 9.390 680 HG21 VAL 90 1HG2 VAL 90 10.640 11.430 7.260 681 HG22 VAL 90 2HG2 VAL 90 11.998 11.201 8.387 682 HG23 VAL 90 3HG2 VAL 90 10.541 12.076 8.916 683 H GLY 91 H GLY 91 10.075 15.332 5.537 684 HA2 GLY 91 1HA GLY 91 11.968 16.933 4.099 685 HA3 GLY 91 2HA GLY 91 10.317 17.342 4.521 686 H LYS 92 H LYS 92 11.416 19.524 4.924 687 HA LYS 92 HA LYS 92 13.282 20.074 6.773 688 HB2 LYS 92 1HB LYS 92 10.784 21.493 5.912 689 HB3 LYS 92 2HB LYS 92 11.715 22.151 7.242 690 HG2 LYS 92 1HG LYS 92 13.093 21.346 4.657 691 HG3 LYS 92 2HG LYS 92 12.291 22.899 4.784 692 HD2 LYS 92 1HD LYS 92 13.671 23.353 6.884 693 HD3 LYS 92 2HD LYS 92 14.555 21.876 6.559 694 HE2 LYS 92 1HE LYS 92 14.611 23.224 4.090 695 HE3 LYS 92 2HE LYS 92 14.786 24.515 5.261 696 HZ1 LYS 92 1HZ LYS 92 16.762 22.922 4.440 697 HZ2 LYS 92 2HZ LYS 92 16.790 23.788 5.824 698 HZ3 LYS 92 3HZ LYS 92 16.361 22.213 5.855 699 H ASP 93 H ASP 93 9.747 20.114 7.625 700 HA ASP 93 HA ASP 93 10.379 19.919 10.358 701 HB2 ASP 93 1HB ASP 93 8.069 20.411 8.715 702 HB3 ASP 93 2HB ASP 93 7.659 19.086 9.787 703 H VAL 94 H VAL 94 9.837 18.059 11.788 704 HA VAL 94 HA VAL 94 10.365 15.548 10.497 705 HB VAL 94 HB VAL 94 10.433 14.695 12.784 706 HG11 VAL 94 1HG1 VAL 94 12.385 15.891 13.528 707 HG12 VAL 94 2HG1 VAL 94 12.403 15.851 11.748 708 HG13 VAL 94 3HG1 VAL 94 11.916 17.336 12.600 709 HG21 VAL 94 1HG2 VAL 94 9.183 15.645 14.369 710 HG22 VAL 94 2HG2 VAL 94 10.315 17.019 14.373 711 HG23 VAL 94 3HG2 VAL 94 8.866 17.062 13.339 712 H HIS 95 H HIS 95 7.630 17.420 10.790 713 HA HIS 95 HA HIS 95 5.899 15.125 11.289 714 HB2 HIS 95 1HB HIS 95 4.903 17.937 10.973 715 HB3 HIS 95 2HB HIS 95 4.216 16.610 11.887 716 HD1 HIS 95 1HD HIS 95 7.292 18.894 12.025 717 HD2 HIS 95 2HD HIS 95 4.778 16.699 14.567 718 HE1 HIS 95 1HE HIS 95 8.023 19.448 14.407 719 H THR 96 H THR 96 7.569 15.700 8.796 720 HA THR 96 HA THR 96 5.319 15.503 6.923 721 HB THR 96 HB THR 96 6.763 16.944 5.352 722 HG1 THR 96 1HG THR 96 7.955 17.571 7.955 723 HG21 THR 96 1HG2 THR 96 5.891 18.222 7.998 724 HG22 THR 96 2HG2 THR 96 6.270 19.116 6.506 725 HG23 THR 96 3HG2 THR 96 4.865 18.024 6.557 726 H PHE 97 H PHE 97 5.526 13.971 5.344 727 HA PHE 97 HA PHE 97 8.141 12.703 5.095 728 HB2 PHE 97 1HB PHE 97 6.819 11.405 6.767 729 HB3 PHE 97 2HB PHE 97 5.415 11.424 5.719 730 HD1 PHE 97 1HD PHE 97 9.013 10.458 5.354 731 HD2 PHE 97 2HD PHE 97 4.948 9.391 4.763 732 HE1 PHE 97 1HE PHE 97 9.732 8.273 4.351 733 HE2 PHE 97 2HE PHE 97 5.668 7.206 3.760 734 HZ PHE 97 HZ PHE 97 8.051 6.673 3.565 735 H ALA 98 H ALA 98 8.659 12.664 2.964 736 HA ALA 98 HA ALA 98 6.461 12.212 1.072 737 HB1 ALA 98 1HB ALA 98 8.779 14.110 0.579 738 HB2 ALA 98 2HB ALA 98 7.284 13.926 -0.370 739 HB3 ALA 98 3HB ALA 98 7.224 14.651 1.255 740 H PHE 99 H PHE 99 6.952 10.820 -0.642 741 HA PHE 99 HA PHE 99 9.713 9.863 -0.753 742 HB2 PHE 99 1HB PHE 99 8.836 7.550 -0.763 743 HB3 PHE 99 2HB PHE 99 8.190 8.360 0.650 744 HD1 PHE 99 2HD PHE 99 7.317 7.605 -2.894 745 HD2 PHE 99 1HD PHE 99 5.906 8.302 1.047 746 HE1 PHE 99 2HE PHE 99 4.987 7.024 -3.625 747 HE2 PHE 99 1HE PHE 99 3.577 7.721 0.316 748 HZ PHE 99 HZ PHE 99 3.145 7.089 -2.012 749 H ILE 100 H ILE 100 10.455 9.384 -2.824 750 HA ILE 100 HA ILE 100 8.677 10.207 -4.959 751 HB ILE 100 HB ILE 100 11.608 9.480 -5.000 752 HG12 ILE 100 1HG1 ILE 100 10.267 12.191 -4.775 753 HG13 ILE 100 2HG1 ILE 100 11.184 11.383 -3.519 754 HG21 ILE 100 1HG2 ILE 100 11.397 9.523 -7.209 755 HG22 ILE 100 2HG2 ILE 100 9.692 10.023 -7.096 756 HG23 ILE 100 3HG2 ILE 100 10.983 11.249 -7.083 757 HD11 ILE 100 1HD1 ILE 100 12.918 12.623 -4.373 758 HD12 ILE 100 2HD1 ILE 100 13.015 11.290 -5.549 759 HD13 ILE 100 3HD1 ILE 100 12.147 12.787 -5.969 760 H MET 101 H MET 101 7.626 8.837 -6.311 761 HA MET 101 HA MET 101 8.357 6.026 -6.047 762 HB2 MET 101 1HB MET 101 6.012 5.530 -6.554 763 HB3 MET 101 2HB MET 101 6.022 6.771 -5.317 764 HG2 MET 101 1HG MET 101 5.867 8.494 -7.253 765 HG3 MET 101 2HG MET 101 5.514 7.135 -8.301 766 HE1 MET 101 1HE MET 101 3.301 5.782 -8.306 767 HE2 MET 101 2HE MET 101 3.903 5.140 -6.759 768 HE3 MET 101 3HE MET 101 2.219 5.700 -6.896 769 H ASP 102 H ASP 102 8.134 4.658 -8.025 770 HA ASP 102 HA ASP 102 8.541 6.280 -10.414 771 HB2 ASP 102 1HB ASP 102 10.660 5.317 -10.049 772 HB3 ASP 102 2HB ASP 102 9.991 3.857 -9.349 773 H THR 103 H THR 103 6.527 6.030 -11.456 774 HA THR 103 HA THR 103 4.997 3.644 -11.232 775 HB THR 103 HB THR 103 3.446 4.868 -12.631 776 HG1 THR 103 1HG THR 103 5.812 6.506 -13.214 777 HG21 THR 103 1HG2 THR 103 4.654 7.388 -11.742 778 HG22 THR 103 2HG2 THR 103 3.135 6.629 -11.206 779 HG23 THR 103 3HG2 THR 103 4.675 6.184 -10.431 780 H GLY 104 H GLY 104 7.212 4.993 -13.727 781 HA2 GLY 104 1HA GLY 104 8.182 2.616 -14.642 782 HA3 GLY 104 2HA GLY 104 6.702 2.836 -15.555 783 H ASN 105 H ASN 105 6.403 4.996 -16.705 784 HA ASN 105 HA ASN 105 8.495 5.453 -18.375 785 HB2 ASN 105 1HB ASN 105 5.881 6.640 -17.816 786 HB3 ASN 105 2HB ASN 105 7.027 7.910 -18.196 787 HD21 ASN 105 1HD2 ASN 105 4.975 7.517 -19.860 788 HD22 ASN 105 2HD2 ASN 105 5.473 6.806 -21.359 789 H GLN 106 H GLN 106 8.969 8.248 -18.527 790 HA GLN 106 HA GLN 106 10.795 8.544 -16.362 791 HB2 GLN 106 1HB GLN 106 10.188 10.101 -18.888 792 HB3 GLN 106 2HB GLN 106 11.217 10.802 -17.655 793 HG2 GLN 106 1HG GLN 106 12.974 9.507 -18.282 794 HG3 GLN 106 2HG GLN 106 12.022 8.043 -18.130 795 HE21 GLN 106 1HE2 GLN 106 13.011 7.168 -19.947 796 HE22 GLN 106 2HE2 GLN 106 12.606 7.644 -21.562 797 H ARG 107 H ARG 107 8.446 8.465 -15.080 798 HA ARG 107 HA ARG 107 7.957 11.271 -14.489 799 HB2 ARG 107 1HB ARG 107 6.062 9.250 -15.381 800 HB3 ARG 107 2HB ARG 107 5.635 9.745 -13.755 801 HG2 ARG 107 1HG ARG 107 6.355 11.948 -15.660 802 HG3 ARG 107 2HG ARG 107 4.853 11.106 -15.987 803 HD2 ARG 107 1HD ARG 107 4.217 11.493 -13.527 804 HD3 ARG 107 2HD ARG 107 5.625 12.528 -13.397 805 HE ARG 107 HE ARG 107 4.500 14.182 -14.617 806 HH11 ARG 107 2HH2 ARG 107 2.844 11.105 -15.036 807 HH12 ARG 107 1HH2 ARG 107 1.495 11.800 -15.872 808 HH21 ARG 107 2HH1 ARG 107 2.721 15.099 -15.720 809 HH22 ARG 107 1HH1 ARG 107 1.425 14.087 -16.263 810 H PHE 108 H PHE 108 7.789 11.785 -12.244 811 HA PHE 108 HA PHE 108 7.928 9.531 -10.394 812 HB2 PHE 108 1HB PHE 108 9.702 12.044 -10.359 813 HB3 PHE 108 2HB PHE 108 9.830 10.690 -9.255 814 HD1 PHE 108 1HD PHE 108 10.041 8.329 -10.661 815 HD2 PHE 108 2HD PHE 108 11.368 12.154 -11.933 816 HE1 PHE 108 1HE PHE 108 11.711 7.242 -12.187 817 HE2 PHE 108 2HE PHE 108 13.038 11.067 -13.459 818 HZ PHE 108 HZ PHE 108 13.189 8.624 -13.568 819 H GLU 109 H GLU 109 6.350 9.779 -8.892 820 HA GLU 109 HA GLU 109 5.453 12.506 -8.412 821 HB2 GLU 109 1HB GLU 109 4.037 9.853 -7.895 822 HB3 GLU 109 2HB GLU 109 3.358 11.433 -7.558 823 HG2 GLU 109 1HG GLU 109 2.971 11.905 -9.790 824 HG3 GLU 109 2HG GLU 109 4.410 11.065 -10.333 825 H CYS 110 H CYS 110 5.623 13.425 -6.377 826 HA CYS 110 HA CYS 110 6.795 11.687 -4.336 827 HB2 CYS 110 1HB CYS 110 8.130 13.686 -5.200 828 HB3 CYS 110 2HB CYS 110 6.949 14.711 -4.410 829 HG CYS 110 HG CYS 110 7.432 12.534 -2.332 830 H HIS 111 H HIS 111 5.096 10.944 -3.075 831 HA HIS 111 HA HIS 111 2.826 12.658 -2.645 832 HB2 HIS 111 1HB HIS 111 3.477 9.843 -1.735 833 HB3 HIS 111 2HB HIS 111 1.982 10.673 -1.353 834 HD1 HIS 111 1HD HIS 111 0.177 10.803 -3.175 835 HD2 HIS 111 2HD HIS 111 3.795 9.160 -4.520 836 HE1 HIS 111 1HE HIS 111 -0.295 9.829 -5.486 837 H VAL 112 H VAL 112 2.909 14.239 -1.133 838 HA VAL 112 HA VAL 112 4.745 13.911 1.094 839 HB VAL 112 HB VAL 112 3.061 16.233 0.136 840 HG11 VAL 112 1HG1 VAL 112 3.307 16.885 2.300 841 HG12 VAL 112 2HG1 VAL 112 4.716 15.833 2.575 842 HG13 VAL 112 3HG1 VAL 112 4.915 17.381 1.721 843 HG21 VAL 112 1HG2 VAL 112 6.072 16.026 0.048 844 HG22 VAL 112 2HG2 VAL 112 5.056 15.396 -1.270 845 HG23 VAL 112 3HG2 VAL 112 4.996 17.124 -0.848 846 H PHE 113 H PHE 113 4.102 13.891 3.285 847 HA PHE 113 HA PHE 113 1.249 13.905 3.815 848 HB2 PHE 113 1HB PHE 113 3.215 11.629 4.477 849 HB3 PHE 113 2HB PHE 113 1.562 11.692 5.055 850 HD1 PHE 113 1HD PHE 113 -0.318 11.428 3.454 851 HD2 PHE 113 2HD PHE 113 3.720 10.909 2.255 852 HE1 PHE 113 1HE PHE 113 -1.085 10.223 1.391 853 HE2 PHE 113 2HE PHE 113 2.952 9.704 0.191 854 HZ PHE 113 HZ PHE 113 0.559 9.375 -0.216 855 H TRP 114 H TRP 114 0.836 13.780 6.258 856 HA TRP 114 HA TRP 114 3.091 15.055 7.653 857 HB2 TRP 114 1HB TRP 114 1.229 16.594 7.149 858 HB3 TRP 114 2HB TRP 114 0.132 15.551 8.032 859 HD1 TRP 114 HD TRP 114 0.670 15.355 10.796 860 HE1 TRP 114 1HE TRP 114 1.607 17.108 12.531 861 HE3 TRP 114 3HE TRP 114 2.741 18.456 7.340 862 HZ2 TRP 114 2HZ TRP 114 3.076 19.541 12.270 863 HZ3 TRP 114 3HZ TRP 114 3.909 20.499 8.164 864 HH2 TRP 114 HH TRP 114 4.095 21.061 10.535 865 H CYS 115 H CYS 115 3.941 13.668 9.144 866 HA CYS 115 HA CYS 115 2.081 11.748 10.345 867 HB2 CYS 115 1HB CYS 115 5.064 11.332 10.285 868 HB3 CYS 115 2HB CYS 115 3.785 10.148 10.473 869 HG CYS 115 HG CYS 115 4.452 12.021 7.819 870 H GLU 116 H GLU 116 2.061 11.612 12.639 871 HA GLU 116 HA GLU 116 3.830 13.508 13.972 872 HB2 GLU 116 1HB GLU 116 0.920 12.978 14.715 873 HB3 GLU 116 2HB GLU 116 1.996 14.122 15.493 874 HG2 GLU 116 1HG GLU 116 1.437 15.704 13.972 875 HG3 GLU 116 2HG GLU 116 2.060 14.698 12.679 876 HA PRO 117 HA PRO 117 3.916 14.037 16.001 877 HB2 PRO 117 1HB PRO 117 6.059 13.981 17.696 878 HB3 PRO 117 2HB PRO 117 4.397 13.980 18.252 879 HG2 PRO 117 1HG PRO 117 6.325 11.741 18.169 880 HG3 PRO 117 2HG PRO 117 4.840 11.877 19.089 881 HD2 PRO 117 1HD PRO 117 5.241 10.352 16.693 882 HD3 PRO 117 2HD PRO 117 3.729 10.582 17.549 883 H ASN 118 H ASN 118 6.109 11.623 14.965 884 HA ASN 118 HA ASN 118 7.340 13.679 13.326 885 HB2 ASN 118 1HB ASN 118 9.541 12.317 13.608 886 HB3 ASN 118 2HB ASN 118 9.056 13.322 14.960 887 HD21 ASN 118 1HD2 ASN 118 10.664 11.626 15.820 888 HD22 ASN 118 2HD2 ASN 118 9.976 10.221 16.563 889 H ALA 119 H ALA 119 8.359 12.685 11.309 890 HA ALA 119 HA ALA 119 6.804 10.370 10.485 891 HB1 ALA 119 1HB ALA 119 8.124 12.700 9.204 892 HB2 ALA 119 2HB ALA 119 8.217 11.177 8.288 893 HB3 ALA 119 3HB ALA 119 6.632 11.839 8.755 894 H ALA 120 H ALA 120 8.865 9.936 12.477 895 HA ALA 120 HA ALA 120 11.122 8.859 11.025 896 HB1 ALA 120 1HB ALA 120 10.528 9.766 13.699 897 HB2 ALA 120 2HB ALA 120 11.141 8.097 13.769 898 HB3 ALA 120 3HB ALA 120 12.106 9.367 12.978 899 H ASN 121 H ASN 121 8.426 7.661 13.142 900 HA ASN 121 HA ASN 121 9.069 5.001 12.909 901 HB2 ASN 121 1HB ASN 121 6.713 6.620 13.722 902 HB3 ASN 121 2HB ASN 121 6.268 5.046 13.094 903 HD21 ASN 121 1HD2 ASN 121 7.405 3.158 13.963 904 HD22 ASN 121 2HD2 ASN 121 7.848 3.128 15.638 905 H VAL 122 H VAL 122 6.801 7.118 11.012 906 HA VAL 122 HA VAL 122 5.871 5.117 9.298 907 HB VAL 122 HB VAL 122 6.011 8.115 9.229 908 HG11 VAL 122 1HG1 VAL 122 5.151 6.274 6.992 909 HG12 VAL 122 2HG1 VAL 122 4.473 7.910 7.174 910 HG13 VAL 122 3HG1 VAL 122 6.222 7.694 6.925 911 HG21 VAL 122 1HG2 VAL 122 3.618 7.980 9.484 912 HG22 VAL 122 2HG2 VAL 122 3.643 6.218 9.236 913 HG23 VAL 122 3HG2 VAL 122 4.374 6.921 10.698 914 H SER 123 H SER 123 8.352 7.712 8.696 915 HA SER 123 HA SER 123 9.135 6.785 6.258 916 HB2 SER 123 1HB SER 123 9.800 8.969 7.232 917 HB3 SER 123 2HB SER 123 10.826 8.156 8.397 918 HG SER 123 HG SER 123 11.258 8.667 5.658 919 H GLU 124 H GLU 124 9.789 5.525 9.486 920 HA GLU 124 HA GLU 124 12.056 4.017 8.650 921 HB2 GLU 124 1HB GLU 124 10.434 4.243 11.193 922 HB3 GLU 124 2HB GLU 124 11.558 2.912 11.005 923 HG2 GLU 124 1HG GLU 124 12.675 5.565 10.246 924 HG3 GLU 124 2HG GLU 124 12.234 5.430 11.937 925 H ALA 125 H ALA 125 8.546 3.490 9.189 926 HA ALA 125 HA ALA 125 8.674 0.675 8.893 927 HB1 ALA 125 1HB ALA 125 6.270 2.448 8.372 928 HB2 ALA 125 2HB ALA 125 6.306 0.784 9.005 929 HB3 ALA 125 3HB ALA 125 6.872 2.134 10.017 930 H VAL 126 H VAL 126 9.099 3.292 6.718 931 HA VAL 126 HA VAL 126 8.077 1.780 4.448 932 HB VAL 126 HB VAL 126 9.244 4.561 4.686 933 HG11 VAL 126 1HG1 VAL 126 8.788 4.927 2.431 934 HG12 VAL 126 2HG1 VAL 126 9.430 3.267 2.433 935 HG13 VAL 126 3HG1 VAL 126 7.675 3.543 2.324 936 HG21 VAL 126 1HG2 VAL 126 7.236 5.158 5.449 937 HG22 VAL 126 2HG2 VAL 126 6.536 4.645 3.895 938 HG23 VAL 126 3HG2 VAL 126 6.619 3.500 5.255 939 H GLN 127 H GLN 127 11.140 3.437 5.498 940 HA GLN 127 HA GLN 127 12.695 2.440 3.484 941 HB2 GLN 127 1HB GLN 127 14.575 3.135 4.797 942 HB3 GLN 127 2HB GLN 127 13.274 4.241 5.193 943 HG2 GLN 127 1HG GLN 127 12.736 2.801 7.214 944 HG3 GLN 127 2HG GLN 127 14.139 1.820 6.842 945 HE21 GLN 127 1HE2 GLN 127 16.081 2.417 7.516 946 HE22 GLN 127 2HE2 GLN 127 16.485 3.920 8.277 947 H ALA 128 H ALA 128 12.030 1.068 6.771 948 HA ALA 128 HA ALA 128 13.689 -1.184 6.410 949 HB1 ALA 128 1HB ALA 128 12.472 0.000 8.520 950 HB2 ALA 128 2HB ALA 128 11.325 -1.330 8.226 951 HB3 ALA 128 3HB ALA 128 13.039 -1.687 8.547 952 H ALA 129 H ALA 129 10.772 -0.243 4.916 953 HA ALA 129 HA ALA 129 9.726 -2.928 4.667 954 HB1 ALA 129 1HB ALA 129 8.726 -0.262 4.496 955 HB2 ALA 129 2HB ALA 129 8.499 -1.014 2.899 956 HB3 ALA 129 3HB ALA 129 7.819 -1.787 4.352 957 H CYS 130 H CYS 130 11.179 -0.355 2.561 958 HA CYS 130 HA CYS 130 11.152 -1.899 0.245 959 HB2 CYS 130 1HB CYS 130 11.501 0.631 0.492 960 HB3 CYS 130 2HB CYS 130 13.177 0.268 0.849 961 HG CYS 130 HG CYS 130 12.857 1.003 -1.683 962 H SER 131 H SER 131 13.761 -1.206 2.687 963 HA SER 131 HA SER 131 15.675 -2.795 1.523 964 HB2 SER 131 1HB SER 131 15.597 -1.121 3.668 965 HB3 SER 131 2HB SER 131 15.594 -2.655 4.515 966 HG SER 131 HG SER 131 17.465 -2.989 2.690 967 H GLY 132 H GLY 132 13.592 -3.569 4.416 968 HA2 GLY 132 1HA GLY 132 14.250 -6.165 4.830 969 HA3 GLY 132 2HA GLY 132 12.640 -5.513 5.057 970 HA PRO 133 HA PRO 133 12.849 -8.456 1.424 971 HB2 PRO 133 1HB PRO 133 12.454 -10.913 2.552 972 HB3 PRO 133 2HB PRO 133 14.035 -10.314 2.089 973 HG2 PRO 133 1HG PRO 133 12.865 -10.560 4.793 974 HG3 PRO 133 2HG PRO 133 14.547 -10.376 4.336 975 HD2 PRO 133 1HD PRO 133 12.826 -8.343 5.398 976 HD3 PRO 133 2HD PRO 133 14.471 -8.133 4.834 977 H SER 134 H SER 134 10.904 -9.471 4.203 978 HA SER 134 HA SER 134 8.595 -8.440 2.897 979 HB2 SER 134 1HB SER 134 7.374 -10.611 2.832 980 HB3 SER 134 2HB SER 134 8.740 -10.588 1.735 981 HG SER 134 HG SER 134 9.322 -12.394 2.727 982 H SER 135 H SER 135 7.285 -7.645 4.511 983 HA SER 135 HA SER 135 6.557 -7.188 6.507 984 HB2 SER 135 1HB SER 135 6.371 -10.111 6.250 985 HB3 SER 135 2HB SER 135 6.460 -9.614 7.928 986 HG SER 135 HG SER 135 4.715 -7.987 7.292 987 H GLY 136 H GLY 136 8.512 -5.999 7.107 988 HA2 GLY 136 1HA GLY 136 10.705 -7.295 8.386 989 HA3 GLY 136 2HA GLY 136 10.382 -5.575 8.299 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -27.163 -15.236 -11.202 2 HA2 GLY 1 1HA GLY 1 -25.396 -17.074 -11.337 3 HA3 GLY 1 2HA GLY 1 -24.945 -16.288 -12.837 4 H SER 2 H SER 2 -24.344 -13.919 -12.744 5 HA SER 2 HA SER 2 -23.225 -12.249 -11.922 6 HB2 SER 2 1HB SER 2 -23.995 -13.164 -9.119 7 HB3 SER 2 2HB SER 2 -23.480 -11.557 -9.591 8 HG SER 2 HG SER 2 -25.863 -12.864 -10.596 9 H SER 3 H SER 3 -21.020 -11.880 -11.453 10 HA SER 3 HA SER 3 -19.616 -14.268 -10.583 11 HB2 SER 3 1HB SER 3 -19.002 -13.325 -12.800 12 HB3 SER 3 2HB SER 3 -18.604 -11.792 -12.051 13 HG SER 3 HG SER 3 -17.329 -14.162 -11.075 14 H GLY 4 H GLY 4 -17.761 -14.011 -9.065 15 HA2 GLY 4 1HA GLY 4 -18.425 -12.300 -6.883 16 HA3 GLY 4 2HA GLY 4 -17.041 -13.365 -7.025 17 H SER 5 H SER 5 -17.630 -10.301 -6.339 18 HA SER 5 HA SER 5 -15.923 -9.056 -8.273 19 HB2 SER 5 1HB SER 5 -17.985 -8.188 -6.560 20 HB3 SER 5 2HB SER 5 -16.539 -7.467 -5.881 21 HG SER 5 HG SER 5 -17.878 -6.874 -8.255 22 H SER 6 H SER 6 -15.945 -9.522 -4.659 23 HA SER 6 HA SER 6 -13.345 -10.395 -4.544 24 HB2 SER 6 1HB SER 6 -13.101 -7.844 -5.239 25 HB3 SER 6 2HB SER 6 -13.423 -7.542 -3.543 26 HG SER 6 HG SER 6 -11.378 -9.382 -4.432 27 H GLY 7 H GLY 7 -12.632 -10.683 -2.249 28 HA2 GLY 7 1HA GLY 7 -14.742 -10.092 -0.278 29 HA3 GLY 7 2HA GLY 7 -14.156 -11.731 -0.483 30 HA PRO 8 HA PRO 8 -11.371 -9.289 2.328 31 HB2 PRO 8 1HB PRO 8 -12.314 -9.975 4.799 32 HB3 PRO 8 2HB PRO 8 -12.728 -8.472 3.999 33 HG2 PRO 8 1HG PRO 8 -14.382 -10.895 4.361 34 HG3 PRO 8 2HG PRO 8 -14.892 -9.268 3.958 35 HD2 PRO 8 1HD PRO 8 -14.677 -11.493 2.161 36 HD3 PRO 8 2HD PRO 8 -15.075 -9.839 1.739 37 H THR 9 H THR 9 -9.515 -10.340 1.961 38 HA THR 9 HA THR 9 -9.402 -13.006 3.212 39 HB THR 9 HB THR 9 -7.850 -13.577 1.292 40 HG1 THR 9 1HG THR 9 -7.179 -11.691 0.331 41 HG21 THR 9 1HG2 THR 9 -10.636 -12.529 0.581 42 HG22 THR 9 2HG2 THR 9 -9.600 -13.394 -0.580 43 HG23 THR 9 3HG2 THR 9 -10.169 -14.218 0.891 44 HA PRO 10 HA PRO 10 -6.305 -10.631 5.302 45 HB2 PRO 10 1HB PRO 10 -6.582 -11.849 7.733 46 HB3 PRO 10 2HB PRO 10 -7.472 -10.411 7.275 47 HG2 PRO 10 1HG PRO 10 -8.428 -13.202 7.461 48 HG3 PRO 10 2HG PRO 10 -9.365 -11.721 7.426 49 HD2 PRO 10 1HD PRO 10 -8.989 -13.565 5.262 50 HD3 PRO 10 2HD PRO 10 -9.827 -12.028 5.195 51 H LYS 11 H LYS 11 -4.421 -11.174 4.352 52 HA LYS 11 HA LYS 11 -2.893 -13.127 5.610 53 HB2 LYS 11 1HB LYS 11 -4.679 -14.180 3.587 54 HB3 LYS 11 2HB LYS 11 -3.011 -14.409 3.103 55 HG2 LYS 11 1HG LYS 11 -2.512 -15.779 4.931 56 HG3 LYS 11 2HG LYS 11 -3.705 -15.022 5.968 57 HD2 LYS 11 1HD LYS 11 -5.516 -16.080 4.485 58 HD3 LYS 11 2HD LYS 11 -4.240 -16.981 3.690 59 HE2 LYS 11 1HE LYS 11 -4.247 -18.516 5.359 60 HE3 LYS 11 2HE LYS 11 -3.856 -17.274 6.531 61 HZ1 LYS 11 1HZ LYS 11 -6.566 -17.149 5.728 62 HZ2 LYS 11 2HZ LYS 11 -6.196 -18.611 6.354 63 HZ3 LYS 11 3HZ LYS 11 -5.936 -17.259 7.231 64 H THR 12 H THR 12 -1.926 -10.855 5.454 65 HA THR 12 HA THR 12 -0.116 -10.865 3.175 66 HB THR 12 HB THR 12 -2.228 -9.447 2.655 67 HG1 THR 12 1HG THR 12 0.444 -8.262 2.949 68 HG21 THR 12 1HG2 THR 12 -0.822 -7.479 4.522 69 HG22 THR 12 2HG2 THR 12 -2.364 -7.253 3.661 70 HG23 THR 12 3HG2 THR 12 -2.265 -8.391 5.026 71 H GLU 13 H GLU 13 -0.105 -11.430 6.160 72 HA GLU 13 HA GLU 13 1.330 -11.167 7.772 73 HB2 GLU 13 1HB GLU 13 2.770 -9.952 5.505 74 HB3 GLU 13 2HB GLU 13 3.264 -9.275 7.044 75 HG2 GLU 13 1HG GLU 13 4.617 -11.103 7.221 76 HG3 GLU 13 2HG GLU 13 3.160 -11.977 7.653 77 H LEU 14 H LEU 14 2.293 -9.393 9.351 78 HA LEU 14 HA LEU 14 0.228 -7.798 10.190 79 HB2 LEU 14 1HB LEU 14 2.787 -8.477 11.038 80 HB3 LEU 14 2HB LEU 14 2.846 -6.733 10.880 81 HG LEU 14 HG LEU 14 0.462 -7.110 12.218 82 HD11 LEU 14 1HD1 LEU 14 2.405 -8.989 13.558 83 HD12 LEU 14 2HD1 LEU 14 0.676 -8.730 13.897 84 HD13 LEU 14 3HD1 LEU 14 1.176 -9.563 12.405 85 HD21 LEU 14 1HD2 LEU 14 2.878 -6.817 13.911 86 HD22 LEU 14 2HD2 LEU 14 2.707 -5.663 12.567 87 HD23 LEU 14 3HD2 LEU 14 1.421 -5.802 13.790 88 H VAL 15 H VAL 15 -0.213 -5.527 10.085 89 HA VAL 15 HA VAL 15 1.157 -4.165 7.877 90 HB VAL 15 HB VAL 15 -1.810 -4.357 8.416 91 HG11 VAL 15 1HG1 VAL 15 -0.367 -2.605 6.397 92 HG12 VAL 15 2HG1 VAL 15 -2.129 -2.798 6.554 93 HG13 VAL 15 3HG1 VAL 15 -1.196 -2.037 7.866 94 HG21 VAL 15 1HG2 VAL 15 -0.140 -5.964 6.874 95 HG22 VAL 15 2HG2 VAL 15 -1.911 -5.839 6.741 96 HG23 VAL 15 3HG2 VAL 15 -0.867 -4.845 5.695 97 H GLN 16 H GLN 16 1.167 -1.808 8.063 98 HA GLN 16 HA GLN 16 0.614 -0.960 10.799 99 HB2 GLN 16 1HB GLN 16 3.117 -0.814 9.217 100 HB3 GLN 16 2HB GLN 16 2.668 0.709 9.959 101 HG2 GLN 16 1HG GLN 16 2.427 -0.468 12.174 102 HG3 GLN 16 2HG GLN 16 2.943 -1.962 11.418 103 HE21 GLN 16 1HE2 GLN 16 5.044 -1.989 10.349 104 HE22 GLN 16 2HE2 GLN 16 6.353 -1.061 11.002 105 H LYS 17 H LYS 17 -1.099 0.429 10.718 106 HA LYS 17 HA LYS 17 -1.285 2.171 8.367 107 HB2 LYS 17 1HB LYS 17 -3.304 0.880 10.164 108 HB3 LYS 17 2HB LYS 17 -3.704 2.422 9.435 109 HG2 LYS 17 1HG LYS 17 -3.662 1.571 7.253 110 HG3 LYS 17 2HG LYS 17 -2.505 0.316 7.646 111 HD2 LYS 17 1HD LYS 17 -4.817 -0.221 9.238 112 HD3 LYS 17 2HD LYS 17 -5.415 0.181 7.641 113 HE2 LYS 17 1HE LYS 17 -3.870 -1.505 6.630 114 HE3 LYS 17 2HE LYS 17 -3.248 -1.897 8.220 115 HZ1 LYS 17 1HZ LYS 17 -5.617 -2.779 6.993 116 HZ2 LYS 17 2HZ LYS 17 -4.897 -3.330 8.351 117 HZ3 LYS 17 3HZ LYS 17 -5.959 -2.092 8.434 118 H PHE 18 H PHE 18 -0.828 4.294 8.592 119 HA PHE 18 HA PHE 18 -0.919 5.362 11.326 120 HB2 PHE 18 1HB PHE 18 1.034 5.728 8.986 121 HB3 PHE 18 2HB PHE 18 1.000 6.861 10.322 122 HD1 PHE 18 2HD PHE 18 1.410 5.926 12.676 123 HD2 PHE 18 1HD PHE 18 2.290 3.760 9.135 124 HE1 PHE 18 2HE PHE 18 2.975 4.449 13.968 125 HE2 PHE 18 1HE PHE 18 3.855 2.283 10.427 126 HZ PHE 18 HZ PHE 18 4.179 2.645 12.828 127 H ARG 19 H ARG 19 -2.439 6.931 11.526 128 HA ARG 19 HA ARG 19 -3.729 7.952 9.285 129 HB2 ARG 19 1HB ARG 19 -4.996 7.893 11.306 130 HB3 ARG 19 2HB ARG 19 -3.717 8.637 12.244 131 HG2 ARG 19 1HG ARG 19 -4.338 10.772 11.656 132 HG3 ARG 19 2HG ARG 19 -4.699 10.325 10.001 133 HD2 ARG 19 1HD ARG 19 -6.915 9.820 10.466 134 HD3 ARG 19 2HD ARG 19 -6.555 9.204 12.067 135 HE ARG 19 HE ARG 19 -7.393 11.872 11.453 136 HH11 ARG 19 2HH2 ARG 19 -5.090 10.171 13.499 137 HH12 ARG 19 1HH2 ARG 19 -5.061 11.407 14.713 138 HH21 ARG 19 2HH1 ARG 19 -7.355 13.502 13.054 139 HH22 ARG 19 1HH1 ARG 19 -6.359 13.314 14.458 140 H VAL 20 H VAL 20 -2.741 9.340 7.840 141 HA VAL 20 HA VAL 20 -1.353 11.648 8.988 142 HB VAL 20 HB VAL 20 0.433 11.457 7.428 143 HG11 VAL 20 1HG1 VAL 20 0.517 10.085 9.540 144 HG12 VAL 20 2HG1 VAL 20 0.024 8.677 8.569 145 HG13 VAL 20 3HG1 VAL 20 1.564 9.500 8.224 146 HG21 VAL 20 1HG2 VAL 20 -0.601 10.654 5.450 147 HG22 VAL 20 2HG2 VAL 20 0.585 9.412 5.916 148 HG23 VAL 20 3HG2 VAL 20 -1.145 9.159 6.247 149 H GLN 21 H GLN 21 -1.288 13.517 7.483 150 HA GLN 21 HA GLN 21 -3.750 13.563 6.000 151 HB2 GLN 21 1HB GLN 21 -1.804 15.642 7.010 152 HB3 GLN 21 2HB GLN 21 -2.920 16.076 5.730 153 HG2 GLN 21 1HG GLN 21 -4.850 15.457 7.114 154 HG3 GLN 21 2HG GLN 21 -3.805 14.800 8.358 155 HE21 GLN 21 1HE2 GLN 21 -5.609 17.388 7.468 156 HE22 GLN 21 2HE2 GLN 21 -4.889 18.649 8.413 157 H TYR 22 H TYR 22 -3.894 14.268 3.751 158 HA TYR 22 HA TYR 22 -1.488 13.521 2.260 159 HB2 TYR 22 1HB TYR 22 -4.016 12.595 2.094 160 HB3 TYR 22 2HB TYR 22 -4.308 14.079 1.209 161 HD1 TYR 22 2HD TYR 22 -1.141 13.672 0.234 162 HD2 TYR 22 1HD TYR 22 -4.849 11.565 -0.112 163 HE1 TYR 22 2HE TYR 22 -0.319 12.559 -1.899 164 HE2 TYR 22 1HE TYR 22 -4.014 10.460 -2.243 165 HH TYR 22 HH TYR 22 -2.312 11.085 -4.046 166 H LEU 23 H LEU 23 -0.207 15.325 1.993 167 HA LEU 23 HA LEU 23 -1.285 17.913 1.708 168 HB2 LEU 23 1HB LEU 23 1.394 16.632 1.506 169 HB3 LEU 23 2HB LEU 23 1.191 18.208 0.768 170 HG LEU 23 HG LEU 23 0.075 18.646 3.226 171 HD11 LEU 23 1HD1 LEU 23 0.981 17.443 4.914 172 HD12 LEU 23 2HD1 LEU 23 1.087 16.193 3.651 173 HD13 LEU 23 3HD1 LEU 23 2.516 17.174 4.054 174 HD21 LEU 23 1HD2 LEU 23 1.532 20.302 3.004 175 HD22 LEU 23 2HD2 LEU 23 2.833 19.201 3.518 176 HD23 LEU 23 3HD2 LEU 23 2.449 19.380 1.789 177 H GLY 24 H GLY 24 -0.169 15.386 -0.600 178 HA2 GLY 24 1HA GLY 24 -1.681 15.470 -2.636 179 HA3 GLY 24 2HA GLY 24 -1.089 17.109 -2.814 180 H MET 25 H MET 25 -0.708 15.155 -4.834 181 HA MET 25 HA MET 25 1.977 14.184 -4.495 182 HB2 MET 25 1HB MET 25 0.017 12.931 -5.649 183 HB3 MET 25 2HB MET 25 0.173 14.071 -6.971 184 HG2 MET 25 1HG MET 25 2.580 12.487 -5.990 185 HG3 MET 25 2HG MET 25 1.456 11.792 -7.140 186 HE1 MET 25 1HE MET 25 0.795 14.352 -9.389 187 HE2 MET 25 2HE MET 25 1.912 13.334 -10.330 188 HE3 MET 25 3HE MET 25 0.799 12.587 -9.158 189 H LEU 26 H LEU 26 3.820 15.041 -5.447 190 HA LEU 26 HA LEU 26 3.404 17.232 -7.347 191 HB2 LEU 26 1HB LEU 26 3.796 18.044 -4.994 192 HB3 LEU 26 2HB LEU 26 5.388 17.317 -5.075 193 HG LEU 26 HG LEU 26 4.748 19.143 -7.312 194 HD11 LEU 26 1HD1 LEU 26 3.689 20.129 -5.149 195 HD12 LEU 26 2HD1 LEU 26 5.377 20.454 -4.683 196 HD13 LEU 26 3HD1 LEU 26 4.715 21.158 -6.178 197 HD21 LEU 26 1HD2 LEU 26 7.015 19.747 -7.140 198 HD22 LEU 26 2HD2 LEU 26 7.135 19.161 -5.463 199 HD23 LEU 26 3HD2 LEU 26 6.967 18.000 -6.801 200 HA PRO 27 HA PRO 27 6.305 14.803 -9.482 201 HB2 PRO 27 1HB PRO 27 6.491 16.333 -11.739 202 HB3 PRO 27 2HB PRO 27 5.225 15.148 -11.487 203 HG2 PRO 27 1HG PRO 27 5.064 18.095 -11.326 204 HG3 PRO 27 2HG PRO 27 3.764 16.932 -11.499 205 HD2 PRO 27 1HD PRO 27 4.508 18.330 -9.108 206 HD3 PRO 27 2HD PRO 27 3.286 17.084 -9.256 207 H VAL 28 H VAL 28 8.513 14.653 -10.027 208 HA VAL 28 HA VAL 28 9.974 17.125 -9.493 209 HB VAL 28 HB VAL 28 11.545 15.880 -8.059 210 HG11 VAL 28 1HG1 VAL 28 8.731 15.709 -6.945 211 HG12 VAL 28 2HG1 VAL 28 10.248 16.008 -6.061 212 HG13 VAL 28 3HG1 VAL 28 9.605 17.244 -7.170 213 HG21 VAL 28 1HG2 VAL 28 10.537 13.717 -7.024 214 HG22 VAL 28 2HG2 VAL 28 9.573 13.648 -8.519 215 HG23 VAL 28 3HG2 VAL 28 11.351 13.622 -8.604 216 H ASP 29 H ASP 29 12.403 16.749 -10.087 217 HA ASP 29 HA ASP 29 12.330 15.501 -12.671 218 HB2 ASP 29 1HB ASP 29 13.649 17.735 -11.514 219 HB3 ASP 29 2HB ASP 29 14.928 16.584 -11.845 220 H ARG 30 H ARG 30 14.437 15.527 -9.691 221 HA ARG 30 HA ARG 30 15.659 13.086 -10.574 222 HB2 ARG 30 1HB ARG 30 16.142 15.026 -8.282 223 HB3 ARG 30 2HB ARG 30 16.899 13.445 -8.260 224 HG2 ARG 30 1HG ARG 30 17.610 14.087 -10.755 225 HG3 ARG 30 2HG ARG 30 17.328 15.725 -10.201 226 HD2 ARG 30 1HD ARG 30 18.828 14.982 -8.128 227 HD3 ARG 30 2HD ARG 30 19.377 13.723 -9.215 228 HE ARG 30 HE ARG 30 20.601 15.327 -10.386 229 HH11 ARG 30 2HH2 ARG 30 18.049 16.950 -8.587 230 HH12 ARG 30 1HH2 ARG 30 18.587 18.541 -9.009 231 HH21 ARG 30 2HH1 ARG 30 21.312 17.427 -10.943 232 HH22 ARG 30 1HH1 ARG 30 20.456 18.814 -10.358 233 HA PRO 31 HA PRO 31 13.011 10.687 -8.046 234 HB2 PRO 31 1HB PRO 31 14.274 8.272 -8.257 235 HB3 PRO 31 2HB PRO 31 13.167 8.884 -9.469 236 HG2 PRO 31 1HG PRO 31 16.118 8.731 -9.563 237 HG3 PRO 31 2HG PRO 31 14.986 8.930 -10.886 238 HD2 PRO 31 1HD PRO 31 16.616 10.971 -9.700 239 HD3 PRO 31 2HD PRO 31 15.401 11.191 -10.944 240 H VAL 32 H VAL 32 16.116 11.562 -7.283 241 HA VAL 32 HA VAL 32 15.616 10.710 -4.531 242 HB VAL 32 HB VAL 32 17.912 10.006 -4.272 243 HG11 VAL 32 1HG1 VAL 32 17.475 7.911 -4.968 244 HG12 VAL 32 2HG1 VAL 32 15.934 8.588 -5.548 245 HG13 VAL 32 3HG1 VAL 32 17.304 8.407 -6.669 246 HG21 VAL 32 1HG2 VAL 32 18.495 11.564 -6.437 247 HG22 VAL 32 2HG2 VAL 32 19.582 10.328 -5.758 248 HG23 VAL 32 3HG2 VAL 32 18.554 9.937 -7.157 249 H GLY 33 H GLY 33 17.593 11.856 -3.165 250 HA2 GLY 33 1HA GLY 33 18.843 13.804 -2.864 251 HA3 GLY 33 2HA GLY 33 18.028 14.557 -4.220 252 H MET 34 H MET 34 18.407 15.275 -1.218 253 HA MET 34 HA MET 34 15.751 15.199 -0.208 254 HB2 MET 34 1HB MET 34 18.307 16.651 0.671 255 HB3 MET 34 2HB MET 34 16.825 16.678 1.605 256 HG2 MET 34 1HG MET 34 18.406 14.170 0.856 257 HG3 MET 34 2HG MET 34 18.375 14.920 2.439 258 HE1 MET 34 1HE MET 34 14.621 14.935 3.208 259 HE2 MET 34 2HE MET 34 15.919 14.302 4.249 260 HE3 MET 34 3HE MET 34 16.182 15.784 3.298 261 H ASP 35 H ASP 35 17.968 17.700 -1.593 262 HA ASP 35 HA ASP 35 16.663 19.946 -1.167 263 HB2 ASP 35 1HB ASP 35 18.176 18.847 -3.495 264 HB3 ASP 35 2HB ASP 35 17.202 20.258 -3.857 265 H THR 36 H THR 36 15.998 17.708 -3.976 266 HA THR 36 HA THR 36 13.703 19.089 -4.847 267 HB THR 36 HB THR 36 14.831 16.279 -5.269 268 HG1 THR 36 1HG THR 36 15.969 18.150 -6.154 269 HG21 THR 36 1HG2 THR 36 12.174 16.918 -5.764 270 HG22 THR 36 2HG2 THR 36 12.958 17.441 -7.274 271 HG23 THR 36 3HG2 THR 36 13.119 15.755 -6.725 272 H LEU 37 H LEU 37 14.234 16.567 -2.393 273 HA LEU 37 HA LEU 37 11.567 15.762 -2.172 274 HB2 LEU 37 1HB LEU 37 13.567 14.576 -1.303 275 HB3 LEU 37 2HB LEU 37 13.722 15.798 -0.056 276 HG LEU 37 HG LEU 37 11.133 15.013 0.322 277 HD11 LEU 37 1HD1 LEU 37 12.185 12.315 0.195 278 HD12 LEU 37 2HD1 LEU 37 10.655 12.978 -0.429 279 HD13 LEU 37 3HD1 LEU 37 12.133 13.070 -1.417 280 HD21 LEU 37 1HD2 LEU 37 13.554 13.699 1.582 281 HD22 LEU 37 2HD2 LEU 37 12.922 15.305 2.014 282 HD23 LEU 37 3HD2 LEU 37 11.925 13.855 2.283 283 H ASN 38 H ASN 38 13.387 17.845 0.184 284 HA ASN 38 HA ASN 38 11.216 18.750 1.502 285 HB2 ASN 38 1HB ASN 38 13.846 20.168 0.845 286 HB3 ASN 38 2HB ASN 38 12.684 20.832 1.976 287 HD21 ASN 38 1HD2 ASN 38 15.313 18.811 1.558 288 HD22 ASN 38 2HD2 ASN 38 15.307 17.971 3.072 289 H SER 39 H SER 39 12.943 20.283 -1.318 290 HA SER 39 HA SER 39 11.583 22.538 -1.622 291 HB2 SER 39 1HB SER 39 13.374 21.943 -3.134 292 HB3 SER 39 2HB SER 39 12.491 20.561 -3.750 293 HG SER 39 HG SER 39 12.392 23.197 -4.559 294 H ALA 40 H ALA 40 10.530 19.278 -2.822 295 HA ALA 40 HA ALA 40 8.181 20.101 -4.042 296 HB1 ALA 40 1HB ALA 40 8.537 17.466 -2.587 297 HB2 ALA 40 2HB ALA 40 7.644 17.795 -4.091 298 HB3 ALA 40 3HB ALA 40 9.423 17.836 -4.086 299 H ILE 41 H ILE 41 8.648 18.717 -0.708 300 HA ILE 41 HA ILE 41 6.062 19.021 0.146 301 HB ILE 41 HB ILE 41 8.652 19.221 1.685 302 HG12 ILE 41 1HG1 ILE 41 6.800 16.865 1.215 303 HG13 ILE 41 2HG1 ILE 41 8.320 17.133 0.384 304 HG21 ILE 41 1HG2 ILE 41 7.488 19.694 3.510 305 HG22 ILE 41 2HG2 ILE 41 5.982 19.734 2.563 306 HG23 ILE 41 3HG2 ILE 41 6.537 18.206 3.288 307 HD11 ILE 41 1HD1 ILE 41 9.435 17.227 2.703 308 HD12 ILE 41 2HD1 ILE 41 7.894 16.620 3.355 309 HD13 ILE 41 3HD1 ILE 41 8.818 15.637 2.194 310 H GLU 42 H GLU 42 8.783 21.325 0.875 311 HA GLU 42 HA GLU 42 7.436 23.276 2.026 312 HB2 GLU 42 1HB GLU 42 9.771 23.226 0.160 313 HB3 GLU 42 2HB GLU 42 9.056 24.801 0.440 314 HG2 GLU 42 1HG GLU 42 9.233 24.389 2.933 315 HG3 GLU 42 2HG GLU 42 10.052 22.877 2.595 316 H ASN 43 H ASN 43 7.352 22.470 -1.461 317 HA ASN 43 HA ASN 43 6.120 24.770 -2.338 318 HB2 ASN 43 1HB ASN 43 7.014 22.449 -3.515 319 HB3 ASN 43 2HB ASN 43 5.286 22.171 -3.595 320 HD21 ASN 43 1HD2 ASN 43 7.269 22.695 -5.692 321 HD22 ASN 43 2HD2 ASN 43 6.713 24.068 -6.589 322 H LEU 44 H LEU 44 4.626 21.478 -1.799 323 HA LEU 44 HA LEU 44 2.006 22.230 -1.976 324 HB2 LEU 44 1HB LEU 44 3.503 20.012 -0.691 325 HB3 LEU 44 2HB LEU 44 1.836 20.231 -0.197 326 HG LEU 44 HG LEU 44 2.709 19.922 -3.081 327 HD11 LEU 44 1HD1 LEU 44 1.255 17.676 -1.913 328 HD12 LEU 44 2HD1 LEU 44 2.735 17.701 -2.903 329 HD13 LEU 44 3HD1 LEU 44 2.836 17.952 -1.143 330 HD21 LEU 44 1HD2 LEU 44 0.301 20.836 -1.978 331 HD22 LEU 44 2HD2 LEU 44 0.604 20.330 -3.657 332 HD23 LEU 44 3HD2 LEU 44 -0.012 19.155 -2.471 333 H MET 45 H MET 45 4.252 22.463 0.815 334 HA MET 45 HA MET 45 2.406 23.037 2.748 335 HB2 MET 45 1HB MET 45 5.316 23.497 2.251 336 HB3 MET 45 2HB MET 45 4.617 24.625 3.396 337 HG2 MET 45 1HG MET 45 3.630 21.968 4.012 338 HG3 MET 45 2HG MET 45 5.373 21.887 3.850 339 HE1 MET 45 1HE MET 45 4.709 22.147 7.705 340 HE2 MET 45 2HE MET 45 3.295 21.748 6.699 341 HE3 MET 45 3HE MET 45 4.887 21.052 6.312 342 H THR 46 H THR 46 4.373 25.439 0.838 343 HA THR 46 HA THR 46 2.636 27.574 1.705 344 HB THR 46 HB THR 46 5.097 27.875 1.495 345 HG1 THR 46 1HG THR 46 3.661 29.678 1.011 346 HG21 THR 46 1HG2 THR 46 4.644 26.572 -1.086 347 HG22 THR 46 2HG2 THR 46 5.370 28.180 -1.324 348 HG23 THR 46 3HG2 THR 46 6.190 26.976 -0.301 349 H SER 47 H SER 47 0.730 26.231 0.765 350 HA SER 47 HA SER 47 -0.088 27.629 -1.505 351 HB2 SER 47 1HB SER 47 1.503 25.677 -2.371 352 HB3 SER 47 2HB SER 47 0.095 24.671 -2.094 353 HG SER 47 HG SER 47 0.504 25.912 -4.289 354 H SER 48 H SER 48 -0.517 24.330 -0.010 355 HA SER 48 HA SER 48 -3.349 24.943 0.178 356 HB2 SER 48 1HB SER 48 -1.733 22.407 0.032 357 HB3 SER 48 2HB SER 48 -3.264 22.347 0.882 358 HG SER 48 HG SER 48 -4.297 23.217 -1.055 359 H SER 49 H SER 49 -4.488 24.648 2.215 360 HA SER 49 HA SER 49 -2.900 25.383 4.424 361 HB2 SER 49 1HB SER 49 -5.813 24.489 4.442 362 HB3 SER 49 2HB SER 49 -5.011 25.481 5.643 363 HG SER 49 HG SER 49 -4.876 27.204 4.183 364 H LYS 50 H LYS 50 -3.057 24.176 6.599 365 HA LYS 50 HA LYS 50 -2.135 21.548 6.235 366 HB2 LYS 50 1HB LYS 50 -1.215 22.523 8.089 367 HB3 LYS 50 2HB LYS 50 -2.685 23.368 8.529 368 HG2 LYS 50 1HG LYS 50 -3.676 21.396 9.474 369 HG3 LYS 50 2HG LYS 50 -2.523 20.335 8.689 370 HD2 LYS 50 1HD LYS 50 -0.791 21.879 10.133 371 HD3 LYS 50 2HD LYS 50 -2.201 21.994 11.167 372 HE2 LYS 50 1HE LYS 50 -2.110 19.263 10.498 373 HE3 LYS 50 2HE LYS 50 -0.421 19.691 10.685 374 HZ1 LYS 50 1HZ LYS 50 -2.290 20.637 12.691 375 HZ2 LYS 50 2HZ LYS 50 -1.872 19.058 12.717 376 HZ3 LYS 50 3HZ LYS 50 -0.722 20.210 12.854 377 H GLU 51 H GLU 51 -5.234 22.887 7.565 378 HA GLU 51 HA GLU 51 -6.352 20.383 8.002 379 HB2 GLU 51 1HB GLU 51 -7.621 23.116 7.549 380 HB3 GLU 51 2HB GLU 51 -8.540 21.702 8.026 381 HG2 GLU 51 1HG GLU 51 -6.099 22.276 9.664 382 HG3 GLU 51 2HG GLU 51 -7.401 23.439 9.809 383 H ASP 52 H ASP 52 -6.050 22.428 5.119 384 HA ASP 52 HA ASP 52 -8.096 21.458 3.609 385 HB2 ASP 52 1HB ASP 52 -5.616 22.902 3.206 386 HB3 ASP 52 2HB ASP 52 -5.772 21.715 1.926 387 H TRP 53 H TRP 53 -5.228 19.877 4.817 388 HA TRP 53 HA TRP 53 -5.106 17.885 2.740 389 HB2 TRP 53 1HB TRP 53 -3.713 17.879 5.416 390 HB3 TRP 53 2HB TRP 53 -3.292 16.962 3.983 391 HD1 TRP 53 HD TRP 53 -3.432 19.464 1.877 392 HE1 TRP 53 1HE TRP 53 -1.541 21.304 1.822 393 HE3 TRP 53 3HE TRP 53 -1.730 18.603 6.590 394 HZ2 TRP 53 2HZ TRP 53 0.411 22.173 3.714 395 HZ3 TRP 53 3HZ TRP 53 0.172 19.991 7.410 396 HH2 TRP 53 HH TRP 53 1.235 21.725 6.055 397 HA PRO 54 HA PRO 54 -8.188 15.500 4.731 398 HB2 PRO 54 1HB PRO 54 -8.217 13.396 2.988 399 HB3 PRO 54 2HB PRO 54 -9.118 14.875 2.720 400 HG2 PRO 54 1HG PRO 54 -6.625 13.961 1.419 401 HG3 PRO 54 2HG PRO 54 -7.754 15.192 0.887 402 HD2 PRO 54 1HD PRO 54 -5.197 15.623 2.113 403 HD3 PRO 54 2HD PRO 54 -6.375 16.848 1.687 404 H SER 55 H SER 55 -8.312 14.061 6.380 405 HA SER 55 HA SER 55 -5.816 13.028 7.169 406 HB2 SER 55 1HB SER 55 -8.079 11.800 8.543 407 HB3 SER 55 2HB SER 55 -6.847 12.871 9.180 408 HG SER 55 HG SER 55 -9.375 13.480 8.873 409 H VAL 56 H VAL 56 -4.926 11.382 5.937 410 HA VAL 56 HA VAL 56 -6.716 9.151 5.264 411 HB VAL 56 HB VAL 56 -5.341 8.718 3.385 412 HG11 VAL 56 1HG1 VAL 56 -5.609 10.728 2.063 413 HG12 VAL 56 2HG1 VAL 56 -6.989 10.576 3.177 414 HG13 VAL 56 3HG1 VAL 56 -5.682 11.731 3.531 415 HG21 VAL 56 1HG2 VAL 56 -3.180 9.293 4.625 416 HG22 VAL 56 2HG2 VAL 56 -3.255 9.719 2.898 417 HG23 VAL 56 3HG2 VAL 56 -3.476 10.979 4.136 418 H ASN 57 H ASN 57 -5.239 7.026 4.975 419 HA ASN 57 HA ASN 57 -3.589 6.940 7.378 420 HB2 ASN 57 1HB ASN 57 -5.567 4.934 6.219 421 HB3 ASN 57 2HB ASN 57 -4.284 4.388 7.280 422 HD21 ASN 57 1HD2 ASN 57 -7.332 4.760 7.411 423 HD22 ASN 57 2HD2 ASN 57 -7.617 5.514 8.943 424 H MET 58 H MET 58 -1.599 5.707 7.185 425 HA MET 58 HA MET 58 -0.933 5.085 4.420 426 HB2 MET 58 1HB MET 58 0.411 6.812 5.805 427 HB3 MET 58 2HB MET 58 0.945 5.480 6.811 428 HG2 MET 58 1HG MET 58 2.687 5.401 5.304 429 HG3 MET 58 2HG MET 58 1.562 4.434 4.371 430 HE1 MET 58 1HE MET 58 2.125 8.916 4.136 431 HE2 MET 58 2HE MET 58 2.625 7.776 5.408 432 HE3 MET 58 3HE MET 58 3.644 8.004 3.967 433 H ASN 59 H ASN 59 -1.321 2.934 4.013 434 HA ASN 59 HA ASN 59 -1.013 1.041 6.113 435 HB2 ASN 59 1HB ASN 59 -2.798 0.767 4.412 436 HB3 ASN 59 2HB ASN 59 -1.609 0.730 3.124 437 HD21 ASN 59 1HD2 ASN 59 -3.638 -1.157 4.635 438 HD22 ASN 59 2HD2 ASN 59 -2.796 -2.669 4.712 439 H VAL 60 H VAL 60 0.752 -0.412 6.362 440 HA VAL 60 HA VAL 60 2.786 -0.375 4.255 441 HB VAL 60 HB VAL 60 3.245 -0.015 7.223 442 HG11 VAL 60 1HG1 VAL 60 4.889 -1.436 5.649 443 HG12 VAL 60 2HG1 VAL 60 5.479 0.198 5.260 444 HG13 VAL 60 3HG1 VAL 60 5.480 -0.371 6.947 445 HG21 VAL 60 1HG2 VAL 60 2.647 2.097 6.444 446 HG22 VAL 60 2HG2 VAL 60 4.420 2.112 6.286 447 HG23 VAL 60 3HG2 VAL 60 3.400 1.838 4.853 448 H ALA 61 H ALA 61 2.850 -2.425 3.497 449 HA ALA 61 HA ALA 61 3.447 -4.558 5.255 450 HB1 ALA 61 1HB ALA 61 0.611 -4.150 4.355 451 HB2 ALA 61 2HB ALA 61 1.253 -5.810 4.401 452 HB3 ALA 61 3HB ALA 61 1.236 -4.821 5.881 453 H ASP 62 H ASP 62 3.455 -6.706 3.916 454 HA ASP 62 HA ASP 62 4.532 -7.681 2.276 455 HB2 ASP 62 1HB ASP 62 1.994 -7.053 1.486 456 HB3 ASP 62 2HB ASP 62 2.888 -6.248 0.213 457 H ALA 63 H ALA 63 5.727 -5.105 3.041 458 HA ALA 63 HA ALA 63 7.159 -3.560 2.356 459 HB1 ALA 63 1HB ALA 63 7.827 -5.028 -0.154 460 HB2 ALA 63 2HB ALA 63 8.894 -4.419 1.134 461 HB3 ALA 63 3HB ALA 63 7.994 -5.937 1.367 462 H THR 64 H THR 64 4.719 -2.643 1.881 463 HA THR 64 HA THR 64 5.047 -1.214 -0.623 464 HB THR 64 HB THR 64 2.636 -2.988 0.028 465 HG1 THR 64 1HG THR 64 4.550 -2.753 -2.187 466 HG21 THR 64 1HG2 THR 64 1.550 -2.113 -1.897 467 HG22 THR 64 2HG2 THR 64 2.210 -0.646 -1.135 468 HG23 THR 64 3HG2 THR 64 3.049 -1.383 -2.521 469 H VAL 65 H VAL 65 3.751 0.731 -0.745 470 HA VAL 65 HA VAL 65 2.812 1.542 1.921 471 HB VAL 65 HB VAL 65 4.556 2.894 -0.098 472 HG11 VAL 65 1HG1 VAL 65 2.887 4.545 -0.009 473 HG12 VAL 65 2HG1 VAL 65 2.569 4.263 1.720 474 HG13 VAL 65 3HG1 VAL 65 4.076 5.061 1.211 475 HG21 VAL 65 1HG2 VAL 65 5.235 3.726 2.458 476 HG22 VAL 65 2HG2 VAL 65 4.694 2.048 2.702 477 HG23 VAL 65 3HG2 VAL 65 6.000 2.402 1.546 478 H THR 66 H THR 66 0.612 1.275 1.722 479 HA THR 66 HA THR 66 -0.625 2.537 -0.636 480 HB THR 66 HB THR 66 -1.697 0.308 1.172 481 HG1 THR 66 1HG THR 66 0.237 -0.232 -0.130 482 HG21 THR 66 1HG2 THR 66 -2.904 1.925 -0.907 483 HG22 THR 66 2HG2 THR 66 -2.663 0.280 -1.544 484 HG23 THR 66 3HG2 THR 66 -3.609 0.529 -0.056 485 H VAL 67 H VAL 67 -1.636 4.407 -0.314 486 HA VAL 67 HA VAL 67 -2.138 5.223 2.412 487 HB VAL 67 HB VAL 67 -2.485 6.634 -0.241 488 HG11 VAL 67 1HG1 VAL 67 -2.978 7.470 2.594 489 HG12 VAL 67 2HG1 VAL 67 -2.314 8.664 1.453 490 HG13 VAL 67 3HG1 VAL 67 -3.872 7.875 1.110 491 HG21 VAL 67 1HG2 VAL 67 -0.434 7.911 0.957 492 HG22 VAL 67 2HG2 VAL 67 -0.187 6.275 1.613 493 HG23 VAL 67 3HG2 VAL 67 -0.216 6.532 -0.148 494 H ILE 68 H ILE 68 -3.912 4.234 3.304 495 HA ILE 68 HA ILE 68 -6.290 3.986 1.638 496 HB ILE 68 HB ILE 68 -5.659 2.889 4.381 497 HG12 ILE 68 1HG1 ILE 68 -5.412 1.716 1.610 498 HG13 ILE 68 2HG1 ILE 68 -4.190 1.828 2.861 499 HG21 ILE 68 1HG2 ILE 68 -7.992 2.373 2.517 500 HG22 ILE 68 2HG2 ILE 68 -7.630 1.446 3.993 501 HG23 ILE 68 3HG2 ILE 68 -8.043 3.174 4.106 502 HD11 ILE 68 1HD1 ILE 68 -6.622 0.009 2.774 503 HD12 ILE 68 2HD1 ILE 68 -4.907 -0.440 2.939 504 HD13 ILE 68 3HD1 ILE 68 -5.759 0.332 4.298 505 H SER 69 H SER 69 -8.363 4.805 2.351 506 HA SER 69 HA SER 69 -8.151 7.397 3.337 507 HB2 SER 69 1HB SER 69 -9.989 7.059 1.927 508 HB3 SER 69 2HB SER 69 -10.408 5.522 2.657 509 HG SER 69 HG SER 69 -11.379 6.554 4.393 510 H GLU 70 H GLU 70 -9.631 8.170 5.274 511 HA GLU 70 HA GLU 70 -8.775 6.611 7.529 512 HB2 GLU 70 1HB GLU 70 -8.346 8.846 7.973 513 HB3 GLU 70 2HB GLU 70 -9.732 9.414 7.064 514 HG2 GLU 70 1HG GLU 70 -11.268 8.729 8.845 515 HG3 GLU 70 2HG GLU 70 -9.980 7.920 9.714 516 H LYS 71 H LYS 71 -11.841 7.916 6.106 517 HA LYS 71 HA LYS 71 -13.370 6.355 8.016 518 HB2 LYS 71 1HB LYS 71 -13.910 8.619 6.155 519 HB3 LYS 71 2HB LYS 71 -15.239 7.523 6.474 520 HG2 LYS 71 1HG LYS 71 -15.529 8.345 8.574 521 HG3 LYS 71 2HG LYS 71 -13.831 8.148 8.960 522 HD2 LYS 71 1HD LYS 71 -13.261 10.299 8.011 523 HD3 LYS 71 2HD LYS 71 -14.824 10.454 7.234 524 HE2 LYS 71 1HE LYS 71 -15.852 10.382 9.615 525 HE3 LYS 71 2HE LYS 71 -14.219 10.587 10.218 526 HZ1 LYS 71 1HZ LYS 71 -14.185 12.542 8.582 527 HZ2 LYS 71 2HZ LYS 71 -15.814 12.444 8.643 528 HZ3 LYS 71 3HZ LYS 71 -14.961 12.720 10.008 529 H ASN 72 H ASN 72 -11.876 4.594 6.627 530 HA ASN 72 HA ASN 72 -13.633 2.842 5.638 531 HB2 ASN 72 1HB ASN 72 -13.210 4.931 3.682 532 HB3 ASN 72 2HB ASN 72 -12.450 3.477 3.066 533 HD21 ASN 72 1HD2 ASN 72 -15.296 5.185 3.407 534 HD22 ASN 72 2HD2 ASN 72 -16.451 3.962 2.994 535 H GLU 73 H GLU 73 -12.487 0.875 4.962 536 HA GLU 73 HA GLU 73 -9.588 1.201 4.929 537 HB2 GLU 73 1HB GLU 73 -11.318 -0.747 6.460 538 HB3 GLU 73 2HB GLU 73 -9.711 -1.243 5.967 539 HG2 GLU 73 1HG GLU 73 -10.254 1.345 7.491 540 HG3 GLU 73 2HG GLU 73 -9.875 -0.169 8.288 541 H GLU 74 H GLU 74 -10.110 1.342 2.515 542 HA GLU 74 HA GLU 74 -9.405 -1.000 1.295 543 HB2 GLU 74 1HB GLU 74 -11.541 -1.556 0.055 544 HB3 GLU 74 2HB GLU 74 -11.571 -1.948 1.763 545 HG2 GLU 74 1HG GLU 74 -13.064 -0.222 2.285 546 HG3 GLU 74 2HG GLU 74 -12.534 0.790 0.957 547 H GLU 75 H GLU 75 -11.136 2.119 1.166 548 HA GLU 75 HA GLU 75 -10.826 2.501 -1.583 549 HB2 GLU 75 1HB GLU 75 -12.297 3.737 0.276 550 HB3 GLU 75 2HB GLU 75 -10.925 4.825 0.338 551 HG2 GLU 75 1HG GLU 75 -11.099 5.244 -2.096 552 HG3 GLU 75 2HG GLU 75 -12.395 4.074 -2.233 553 H VAL 76 H VAL 76 -8.487 1.634 -1.585 554 HA VAL 76 HA VAL 76 -6.398 3.046 -0.450 555 HB VAL 76 HB VAL 76 -5.898 0.945 -1.261 556 HG11 VAL 76 1HG1 VAL 76 -7.556 1.741 -3.617 557 HG12 VAL 76 2HG1 VAL 76 -6.272 0.534 -3.872 558 HG13 VAL 76 3HG1 VAL 76 -7.552 0.232 -2.672 559 HG21 VAL 76 1HG2 VAL 76 -4.291 2.878 -1.983 560 HG22 VAL 76 2HG2 VAL 76 -4.045 1.238 -2.628 561 HG23 VAL 76 3HG2 VAL 76 -4.843 2.477 -3.627 562 H LEU 77 H LEU 77 -6.025 5.197 -0.630 563 HA LEU 77 HA LEU 77 -6.960 6.661 -2.877 564 HB2 LEU 77 1HB LEU 77 -5.144 7.434 -0.590 565 HB3 LEU 77 2HB LEU 77 -5.811 8.548 -1.766 566 HG LEU 77 HG LEU 77 -7.740 6.837 -0.264 567 HD11 LEU 77 1HD1 LEU 77 -7.748 8.391 1.650 568 HD12 LEU 77 2HD1 LEU 77 -6.223 7.484 1.514 569 HD13 LEU 77 3HD1 LEU 77 -6.296 9.185 0.996 570 HD21 LEU 77 1HD2 LEU 77 -8.519 8.384 -1.990 571 HD22 LEU 77 2HD2 LEU 77 -9.121 8.850 -0.381 572 HD23 LEU 77 3HD2 LEU 77 -7.771 9.745 -1.120 573 H VAL 78 H VAL 78 -3.714 5.582 -1.693 574 HA VAL 78 HA VAL 78 -2.799 5.731 -4.453 575 HB VAL 78 HB VAL 78 -1.695 7.271 -2.125 576 HG11 VAL 78 1HG1 VAL 78 0.237 7.585 -4.037 577 HG12 VAL 78 2HG1 VAL 78 0.364 6.500 -2.632 578 HG13 VAL 78 3HG1 VAL 78 -0.153 5.857 -4.210 579 HG21 VAL 78 1HG2 VAL 78 -1.348 8.785 -4.367 580 HG22 VAL 78 2HG2 VAL 78 -2.794 7.846 -4.811 581 HG23 VAL 78 3HG2 VAL 78 -2.794 8.834 -3.330 582 H GLU 79 H GLU 79 -1.247 4.155 -4.957 583 HA GLU 79 HA GLU 79 -0.560 2.425 -2.711 584 HB2 GLU 79 1HB GLU 79 -2.304 1.381 -4.139 585 HB3 GLU 79 2HB GLU 79 -1.285 1.579 -5.551 586 HG2 GLU 79 1HG GLU 79 0.461 0.264 -3.891 587 HG3 GLU 79 2HG GLU 79 -1.058 -0.383 -3.303 588 H CYS 80 H CYS 80 1.613 2.464 -2.358 589 HA CYS 80 HA CYS 80 3.308 2.822 -4.724 590 HB2 CYS 80 1HB CYS 80 3.245 4.768 -3.083 591 HB3 CYS 80 2HB CYS 80 4.020 3.715 -1.916 592 HG CYS 80 HG CYS 80 6.051 4.837 -2.703 593 H ARG 81 H ARG 81 5.268 1.519 -4.758 594 HA ARG 81 HA ARG 81 5.186 -0.631 -2.795 595 HB2 ARG 81 1HB ARG 81 5.946 -0.756 -5.756 596 HB3 ARG 81 2HB ARG 81 6.168 -2.089 -4.641 597 HG2 ARG 81 1HG ARG 81 3.886 -2.528 -4.475 598 HG3 ARG 81 2HG ARG 81 3.431 -0.854 -4.722 599 HD2 ARG 81 1HD ARG 81 4.746 -2.292 -7.025 600 HD3 ARG 81 2HD ARG 81 3.090 -2.719 -6.643 601 HE ARG 81 HE ARG 81 3.573 0.178 -6.802 602 HH11 ARG 81 2HH2 ARG 81 2.657 -2.723 -8.572 603 HH12 ARG 81 1HH2 ARG 81 1.851 -1.853 -9.834 604 HH21 ARG 81 2HH1 ARG 81 2.510 1.326 -8.468 605 HH22 ARG 81 1HH1 ARG 81 1.767 0.466 -9.775 606 H VAL 82 H VAL 82 7.135 -1.085 -1.735 607 HA VAL 82 HA VAL 82 9.183 0.786 -1.814 608 HB VAL 82 HB VAL 82 10.303 -0.639 -0.295 609 HG11 VAL 82 1HG1 VAL 82 7.464 -0.150 -0.070 610 HG12 VAL 82 2HG1 VAL 82 7.901 -1.642 0.798 611 HG13 VAL 82 3HG1 VAL 82 8.723 -0.112 1.189 612 HG21 VAL 82 1HG2 VAL 82 8.733 -3.041 -0.303 613 HG22 VAL 82 2HG2 VAL 82 9.334 -2.739 -1.951 614 HG23 VAL 82 3HG2 VAL 82 10.478 -2.841 -0.592 615 H ARG 83 H ARG 83 8.440 -1.895 -3.916 616 HA ARG 83 HA ARG 83 11.119 -2.273 -4.756 617 HB2 ARG 83 1HB ARG 83 10.127 -3.780 -6.449 618 HB3 ARG 83 2HB ARG 83 9.404 -4.087 -4.882 619 HG2 ARG 83 1HG ARG 83 7.371 -3.755 -5.829 620 HG3 ARG 83 2HG ARG 83 7.784 -2.061 -6.001 621 HD2 ARG 83 1HD ARG 83 8.265 -2.257 -8.260 622 HD3 ARG 83 2HD ARG 83 8.929 -3.870 -8.093 623 HE ARG 83 HE ARG 83 6.153 -3.187 -8.665 624 HH11 ARG 83 2HH2 ARG 83 8.240 -5.632 -7.233 625 HH12 ARG 83 1HH2 ARG 83 7.109 -6.922 -7.473 626 HH21 ARG 83 2HH1 ARG 83 4.660 -4.888 -8.982 627 HH22 ARG 83 1HH1 ARG 83 5.059 -6.495 -8.475 628 H PHE 84 H PHE 84 8.378 -0.206 -5.607 629 HA PHE 84 HA PHE 84 9.655 0.571 -8.108 630 HB2 PHE 84 1HB PHE 84 6.958 0.602 -6.810 631 HB3 PHE 84 2HB PHE 84 7.314 2.082 -7.677 632 HD1 PHE 84 2HD PHE 84 8.640 1.377 -10.062 633 HD2 PHE 84 1HD PHE 84 5.617 -0.803 -8.034 634 HE1 PHE 84 2HE PHE 84 7.993 0.269 -12.219 635 HE2 PHE 84 1HE PHE 84 4.969 -1.911 -10.191 636 HZ PHE 84 HZ PHE 84 6.164 -1.362 -12.257 637 H LEU 85 H LEU 85 9.185 1.596 -4.777 638 HA LEU 85 HA LEU 85 9.257 4.310 -4.948 639 HB2 LEU 85 1HB LEU 85 9.650 2.317 -2.988 640 HB3 LEU 85 2HB LEU 85 11.011 3.413 -2.855 641 HG LEU 85 HG LEU 85 8.257 4.580 -3.014 642 HD11 LEU 85 1HD1 LEU 85 9.392 3.123 -0.626 643 HD12 LEU 85 2HD1 LEU 85 8.170 4.408 -0.474 644 HD13 LEU 85 3HD1 LEU 85 7.800 2.932 -1.399 645 HD21 LEU 85 1HD2 LEU 85 9.386 6.437 -2.581 646 HD22 LEU 85 2HD2 LEU 85 9.912 5.755 -1.023 647 HD23 LEU 85 3HD2 LEU 85 10.903 5.511 -2.481 648 H SER 86 H SER 86 11.122 5.842 -4.564 649 HA SER 86 HA SER 86 13.477 4.855 -5.973 650 HB2 SER 86 1HB SER 86 11.709 7.140 -6.589 651 HB3 SER 86 2HB SER 86 13.397 7.599 -6.496 652 HG SER 86 HG SER 86 12.520 6.802 -8.646 653 H PHE 87 H PHE 87 12.050 7.235 -3.662 654 HA PHE 87 HA PHE 87 14.125 6.927 -1.826 655 HB2 PHE 87 1HB PHE 87 15.306 8.237 -3.686 656 HB3 PHE 87 2HB PHE 87 14.106 9.502 -3.514 657 HD1 PHE 87 1HD PHE 87 16.948 7.833 -1.874 658 HD2 PHE 87 2HD PHE 87 14.227 11.087 -1.724 659 HE1 PHE 87 1HE PHE 87 18.357 8.931 -0.111 660 HE2 PHE 87 2HE PHE 87 15.637 12.184 0.039 661 HZ PHE 87 HZ PHE 87 17.685 11.093 0.825 662 H MET 88 H MET 88 14.029 8.882 -0.139 663 HA MET 88 HA MET 88 11.673 10.398 -0.143 664 HB2 MET 88 1HB MET 88 10.421 9.238 1.614 665 HB3 MET 88 2HB MET 88 10.771 8.058 0.366 666 HG2 MET 88 1HG MET 88 12.752 7.258 1.678 667 HG3 MET 88 2HG MET 88 12.402 8.437 2.926 668 HE1 MET 88 1HE MET 88 11.327 5.721 0.793 669 HE2 MET 88 2HE MET 88 10.758 4.496 1.951 670 HE3 MET 88 3HE MET 88 9.591 5.584 1.162 671 H GLY 89 H GLY 89 11.349 10.515 2.770 672 HA2 GLY 89 1HA GLY 89 13.384 10.674 4.440 673 HA3 GLY 89 2HA GLY 89 13.782 12.012 3.381 674 H VAL 90 H VAL 90 13.084 12.201 6.214 675 HA VAL 90 HA VAL 90 10.373 13.173 6.292 676 HB VAL 90 HB VAL 90 12.627 12.850 8.252 677 HG11 VAL 90 1HG1 VAL 90 10.358 14.736 8.427 678 HG12 VAL 90 2HG1 VAL 90 10.560 13.669 9.837 679 HG13 VAL 90 3HG1 VAL 90 11.904 14.709 9.308 680 HG21 VAL 90 1HG2 VAL 90 10.188 11.802 9.211 681 HG22 VAL 90 2HG2 VAL 90 10.270 11.364 7.488 682 HG23 VAL 90 3HG2 VAL 90 11.591 10.902 8.587 683 H GLY 91 H GLY 91 9.793 15.175 5.645 684 HA2 GLY 91 1HA GLY 91 11.472 17.090 4.643 685 HA3 GLY 91 2HA GLY 91 9.874 17.397 5.294 686 H LYS 92 H LYS 92 11.433 19.489 5.658 687 HA LYS 92 HA LYS 92 13.325 19.659 7.545 688 HB2 LYS 92 1HB LYS 92 11.015 21.518 6.954 689 HB3 LYS 92 2HB LYS 92 12.295 21.940 8.074 690 HG2 LYS 92 1HG LYS 92 13.971 21.412 6.206 691 HG3 LYS 92 2HG LYS 92 12.608 21.254 5.116 692 HD2 LYS 92 1HD LYS 92 12.082 23.541 5.205 693 HD3 LYS 92 2HD LYS 92 12.785 23.755 6.796 694 HE2 LYS 92 1HE LYS 92 15.019 23.021 5.357 695 HE3 LYS 92 2HE LYS 92 14.097 23.843 4.114 696 HZ1 LYS 92 1HZ LYS 92 14.865 24.945 6.725 697 HZ2 LYS 92 2HZ LYS 92 15.418 25.413 5.261 698 HZ3 LYS 92 3HZ LYS 92 13.866 25.704 5.680 699 H ASP 93 H ASP 93 9.754 19.620 8.189 700 HA ASP 93 HA ASP 93 10.260 19.500 10.988 701 HB2 ASP 93 1HB ASP 93 7.999 19.954 9.208 702 HB3 ASP 93 2HB ASP 93 7.562 18.743 10.396 703 H VAL 94 H VAL 94 9.323 17.637 12.337 704 HA VAL 94 HA VAL 94 10.019 15.132 11.085 705 HB VAL 94 HB VAL 94 9.835 14.243 13.334 706 HG11 VAL 94 1HG1 VAL 94 11.967 15.103 12.981 707 HG12 VAL 94 2HG1 VAL 94 11.393 16.786 12.917 708 HG13 VAL 94 3HG1 VAL 94 11.467 15.930 14.475 709 HG21 VAL 94 1HG2 VAL 94 9.105 15.488 15.224 710 HG22 VAL 94 2HG2 VAL 94 9.041 17.004 14.294 711 HG23 VAL 94 3HG2 VAL 94 7.861 15.711 13.971 712 H HIS 95 H HIS 95 7.233 17.082 11.426 713 HA HIS 95 HA HIS 95 5.457 14.786 11.512 714 HB2 HIS 95 1HB HIS 95 4.368 17.531 11.225 715 HB3 HIS 95 2HB HIS 95 3.822 16.197 12.222 716 HD1 HIS 95 1HD HIS 95 6.679 18.751 12.153 717 HD2 HIS 95 2HD HIS 95 4.474 16.443 14.874 718 HE1 HIS 95 1HE HIS 95 7.436 19.472 14.480 719 H THR 96 H THR 96 7.376 15.732 9.219 720 HA THR 96 HA THR 96 5.289 15.679 7.141 721 HB THR 96 HB THR 96 7.030 17.082 5.824 722 HG1 THR 96 1HG THR 96 8.378 18.250 7.590 723 HG21 THR 96 1HG2 THR 96 6.389 19.201 6.851 724 HG22 THR 96 2HG2 THR 96 4.984 18.115 6.979 725 HG23 THR 96 3HG2 THR 96 6.023 18.398 8.397 726 H PHE 97 H PHE 97 5.642 14.374 5.344 727 HA PHE 97 HA PHE 97 8.143 12.958 5.163 728 HB2 PHE 97 1HB PHE 97 6.774 11.675 6.851 729 HB3 PHE 97 2HB PHE 97 5.419 11.645 5.741 730 HD1 PHE 97 2HD PHE 97 9.038 10.697 5.727 731 HD2 PHE 97 1HD PHE 97 5.075 9.681 4.600 732 HE1 PHE 97 2HE PHE 97 9.865 8.527 4.774 733 HE2 PHE 97 1HE PHE 97 5.902 7.511 3.646 734 HZ PHE 97 HZ PHE 97 8.287 6.961 3.745 735 H ALA 98 H ALA 98 8.470 12.013 3.092 736 HA ALA 98 HA ALA 98 6.328 11.809 1.233 737 HB1 ALA 98 1HB ALA 98 6.857 14.338 1.414 738 HB2 ALA 98 2HB ALA 98 8.382 13.940 0.586 739 HB3 ALA 98 3HB ALA 98 6.825 13.613 -0.211 740 H PHE 99 H PHE 99 7.030 10.754 -0.739 741 HA PHE 99 HA PHE 99 9.843 10.041 -0.845 742 HB2 PHE 99 1HB PHE 99 9.199 7.618 -0.963 743 HB3 PHE 99 2HB PHE 99 8.672 8.308 0.559 744 HD1 PHE 99 2HD PHE 99 7.451 7.520 -2.866 745 HD2 PHE 99 1HD PHE 99 6.442 8.125 1.211 746 HE1 PHE 99 2HE PHE 99 5.105 6.758 -3.334 747 HE2 PHE 99 1HE PHE 99 4.096 7.363 0.743 748 HZ PHE 99 HZ PHE 99 3.456 6.689 -1.524 749 H ILE 100 H ILE 100 10.557 9.468 -2.946 750 HA ILE 100 HA ILE 100 8.693 10.252 -5.023 751 HB ILE 100 HB ILE 100 11.623 9.561 -5.232 752 HG12 ILE 100 1HG1 ILE 100 10.444 12.332 -4.931 753 HG13 ILE 100 2HG1 ILE 100 11.074 11.413 -3.578 754 HG21 ILE 100 1HG2 ILE 100 11.025 9.591 -7.409 755 HG22 ILE 100 2HG2 ILE 100 9.558 10.554 -7.113 756 HG23 ILE 100 3HG2 ILE 100 11.147 11.353 -7.187 757 HD11 ILE 100 1HD1 ILE 100 13.294 11.357 -4.506 758 HD12 ILE 100 2HD1 ILE 100 12.716 11.919 -6.093 759 HD13 ILE 100 3HD1 ILE 100 12.720 13.030 -4.703 760 H MET 101 H MET 101 7.614 8.849 -6.313 761 HA MET 101 HA MET 101 8.658 6.132 -6.410 762 HB2 MET 101 1HB MET 101 6.376 5.253 -6.145 763 HB3 MET 101 2HB MET 101 6.684 6.351 -4.814 764 HG2 MET 101 1HG MET 101 5.444 8.156 -5.939 765 HG3 MET 101 2HG MET 101 5.264 7.187 -7.388 766 HE1 MET 101 1HE MET 101 4.445 4.158 -6.123 767 HE2 MET 101 2HE MET 101 2.763 4.514 -6.586 768 HE3 MET 101 3HE MET 101 4.107 5.093 -7.599 769 H ASP 102 H ASP 102 7.691 4.852 -8.308 770 HA ASP 102 HA ASP 102 7.517 6.690 -10.543 771 HB2 ASP 102 1HB ASP 102 9.206 5.137 -11.023 772 HB3 ASP 102 2HB ASP 102 8.406 3.840 -10.159 773 H THR 103 H THR 103 5.733 6.515 -12.059 774 HA THR 103 HA THR 103 3.668 4.541 -11.438 775 HB THR 103 HB THR 103 1.956 6.289 -11.298 776 HG1 THR 103 1HG THR 103 2.683 8.500 -11.667 777 HG21 THR 103 1HG2 THR 103 4.416 7.181 -9.701 778 HG22 THR 103 2HG2 THR 103 2.737 7.679 -9.380 779 HG23 THR 103 3HG2 THR 103 3.221 5.981 -9.154 780 H GLY 104 H GLY 104 5.813 5.225 -13.581 781 HA2 GLY 104 1HA GLY 104 4.309 4.342 -15.787 782 HA3 GLY 104 2HA GLY 104 4.512 6.078 -15.908 783 H ASN 105 H ASN 105 5.960 6.088 -17.668 784 HA ASN 105 HA ASN 105 8.404 4.579 -17.284 785 HB2 ASN 105 1HB ASN 105 7.131 5.966 -19.688 786 HB3 ASN 105 2HB ASN 105 8.797 5.424 -19.736 787 HD21 ASN 105 1HD2 ASN 105 7.784 4.184 -21.545 788 HD22 ASN 105 2HD2 ASN 105 7.155 2.607 -21.205 789 H GLN 106 H GLN 106 10.229 5.699 -16.569 790 HA GLN 106 HA GLN 106 11.525 7.330 -15.952 791 HB2 GLN 106 1HB GLN 106 10.513 8.631 -18.518 792 HB3 GLN 106 2HB GLN 106 11.893 9.209 -17.605 793 HG2 GLN 106 1HG GLN 106 13.211 7.325 -18.125 794 HG3 GLN 106 2HG GLN 106 11.821 6.296 -18.408 795 HE21 GLN 106 1HE2 GLN 106 13.793 6.243 -20.197 796 HE22 GLN 106 2HE2 GLN 106 13.358 7.020 -21.683 797 H ARG 107 H ARG 107 8.499 7.391 -15.278 798 HA ARG 107 HA ARG 107 8.301 10.231 -14.719 799 HB2 ARG 107 1HB ARG 107 6.345 8.035 -15.212 800 HB3 ARG 107 2HB ARG 107 5.884 9.119 -13.914 801 HG2 ARG 107 1HG ARG 107 6.724 10.064 -16.695 802 HG3 ARG 107 2HG ARG 107 5.057 9.819 -16.214 803 HD2 ARG 107 1HD ARG 107 5.338 11.497 -14.376 804 HD3 ARG 107 2HD ARG 107 7.007 11.740 -14.850 805 HE ARG 107 HE ARG 107 5.618 12.194 -17.203 806 HH11 ARG 107 2HH2 ARG 107 5.378 13.491 -13.941 807 HH12 ARG 107 1HH2 ARG 107 4.781 15.032 -14.460 808 HH21 ARG 107 2HH1 ARG 107 4.831 14.226 -17.889 809 HH22 ARG 107 1HH1 ARG 107 4.468 15.453 -16.721 810 H PHE 108 H PHE 108 7.975 10.981 -12.540 811 HA PHE 108 HA PHE 108 8.067 8.932 -10.464 812 HB2 PHE 108 1HB PHE 108 9.802 11.468 -10.600 813 HB3 PHE 108 2HB PHE 108 9.905 10.222 -9.372 814 HD1 PHE 108 2HD PHE 108 9.891 7.759 -10.969 815 HD2 PHE 108 1HD PHE 108 11.850 11.454 -11.686 816 HE1 PHE 108 2HE PHE 108 11.639 6.570 -12.322 817 HE2 PHE 108 1HE PHE 108 13.598 10.265 -13.038 818 HZ PHE 108 HZ PHE 108 13.472 7.837 -13.340 819 H GLU 109 H GLU 109 6.791 9.410 -8.699 820 HA GLU 109 HA GLU 109 5.769 12.141 -8.613 821 HB2 GLU 109 1HB GLU 109 4.229 9.564 -8.067 822 HB3 GLU 109 2HB GLU 109 3.592 11.177 -7.814 823 HG2 GLU 109 1HG GLU 109 4.222 11.601 -10.325 824 HG3 GLU 109 2HG GLU 109 4.356 9.857 -10.444 825 H CYS 110 H CYS 110 5.668 13.121 -6.569 826 HA CYS 110 HA CYS 110 6.768 11.477 -4.409 827 HB2 CYS 110 1HB CYS 110 8.151 13.441 -5.238 828 HB3 CYS 110 2HB CYS 110 6.901 14.498 -4.611 829 HG CYS 110 HG CYS 110 7.635 12.130 -2.586 830 H HIS 111 H HIS 111 5.278 10.966 -2.843 831 HA HIS 111 HA HIS 111 2.871 12.604 -2.731 832 HB2 HIS 111 1HB HIS 111 3.467 9.823 -1.686 833 HB3 HIS 111 2HB HIS 111 1.955 10.670 -1.429 834 HD1 HIS 111 1HD HIS 111 0.262 10.725 -3.360 835 HD2 HIS 111 2HD HIS 111 3.947 9.021 -4.415 836 HE1 HIS 111 1HE HIS 111 -0.075 9.654 -5.651 837 H VAL 112 H VAL 112 2.943 14.251 -1.287 838 HA VAL 112 HA VAL 112 4.697 14.013 1.003 839 HB VAL 112 HB VAL 112 2.993 16.239 -0.124 840 HG11 VAL 112 1HG1 VAL 112 4.994 16.583 2.111 841 HG12 VAL 112 2HG1 VAL 112 3.716 17.695 1.566 842 HG13 VAL 112 3HG1 VAL 112 3.287 16.206 2.442 843 HG21 VAL 112 1HG2 VAL 112 5.314 17.266 -0.452 844 HG22 VAL 112 2HG2 VAL 112 5.959 15.637 -0.134 845 HG23 VAL 112 3HG2 VAL 112 4.873 15.910 -1.518 846 H PHE 113 H PHE 113 4.022 13.973 3.174 847 HA PHE 113 HA PHE 113 1.164 13.946 3.668 848 HB2 PHE 113 1HB PHE 113 3.154 11.706 4.376 849 HB3 PHE 113 2HB PHE 113 1.489 11.745 4.920 850 HD1 PHE 113 1HD PHE 113 -0.348 11.668 3.145 851 HD2 PHE 113 2HD PHE 113 3.710 10.753 2.306 852 HE1 PHE 113 1HE PHE 113 -1.053 10.438 1.074 853 HE2 PHE 113 2HE PHE 113 3.005 9.524 0.235 854 HZ PHE 113 HZ PHE 113 0.632 9.381 -0.356 855 H TRP 114 H TRP 114 0.750 13.754 6.133 856 HA TRP 114 HA TRP 114 2.989 14.997 7.576 857 HB2 TRP 114 1HB TRP 114 1.394 16.721 7.014 858 HB3 TRP 114 2HB TRP 114 0.068 15.767 7.649 859 HD1 TRP 114 HD TRP 114 0.530 15.145 10.500 860 HE1 TRP 114 1HE TRP 114 1.194 16.801 12.444 861 HE3 TRP 114 3HE TRP 114 2.474 18.743 7.479 862 HZ2 TRP 114 2HZ TRP 114 2.430 19.373 12.499 863 HZ3 TRP 114 3HZ TRP 114 3.389 20.796 8.559 864 HH2 TRP 114 HH TRP 114 3.388 21.142 10.978 865 H CYS 115 H CYS 115 3.643 13.587 9.142 866 HA CYS 115 HA CYS 115 1.602 11.785 10.215 867 HB2 CYS 115 1HB CYS 115 4.558 11.320 10.544 868 HB3 CYS 115 2HB CYS 115 3.243 10.162 10.574 869 HG CYS 115 HG CYS 115 4.559 11.854 8.064 870 H GLU 116 H GLU 116 1.839 11.310 12.614 871 HA GLU 116 HA GLU 116 3.271 13.368 14.046 872 HB2 GLU 116 1HB GLU 116 0.270 13.020 14.044 873 HB3 GLU 116 2HB GLU 116 1.061 13.548 15.516 874 HG2 GLU 116 1HG GLU 116 2.267 15.159 13.580 875 HG3 GLU 116 2HG GLU 116 0.626 15.019 12.981 876 HA PRO 117 HA PRO 117 3.286 13.893 16.036 877 HB2 PRO 117 1HB PRO 117 5.335 13.792 17.842 878 HB3 PRO 117 2HB PRO 117 3.647 13.849 18.310 879 HG2 PRO 117 1HG PRO 117 5.506 11.551 18.352 880 HG3 PRO 117 2HG PRO 117 3.980 11.744 19.192 881 HD2 PRO 117 1HD PRO 117 4.456 10.178 16.837 882 HD3 PRO 117 2HD PRO 117 2.910 10.465 17.609 883 H ASN 118 H ASN 118 5.235 11.416 14.881 884 HA ASN 118 HA ASN 118 6.644 13.385 13.331 885 HB2 ASN 118 1HB ASN 118 8.805 11.879 13.799 886 HB3 ASN 118 2HB ASN 118 8.389 13.186 14.890 887 HD21 ASN 118 1HD2 ASN 118 9.227 12.360 16.718 888 HD22 ASN 118 2HD2 ASN 118 8.651 10.941 17.528 889 H ALA 119 H ALA 119 7.683 12.323 11.386 890 HA ALA 119 HA ALA 119 6.224 9.910 10.673 891 HB1 ALA 119 1HB ALA 119 6.605 12.207 9.321 892 HB2 ALA 119 2HB ALA 119 8.047 11.321 8.767 893 HB3 ALA 119 3HB ALA 119 6.425 10.636 8.503 894 H ALA 120 H ALA 120 8.500 9.945 12.661 895 HA ALA 120 HA ALA 120 10.813 8.958 11.418 896 HB1 ALA 120 1HB ALA 120 11.587 8.992 13.543 897 HB2 ALA 120 2HB ALA 120 10.020 9.725 13.963 898 HB3 ALA 120 3HB ALA 120 10.256 7.969 14.135 899 H ASN 121 H ASN 121 8.202 7.203 13.253 900 HA ASN 121 HA ASN 121 9.146 4.706 12.476 901 HB2 ASN 121 1HB ASN 121 6.561 5.775 13.645 902 HB3 ASN 121 2HB ASN 121 6.593 4.116 13.082 903 HD21 ASN 121 1HD2 ASN 121 6.593 2.973 14.889 904 HD22 ASN 121 2HD2 ASN 121 7.759 3.068 16.166 905 H VAL 122 H VAL 122 6.619 6.968 11.227 906 HA VAL 122 HA VAL 122 5.449 5.272 9.367 907 HB VAL 122 HB VAL 122 5.782 8.255 9.581 908 HG11 VAL 122 1HG1 VAL 122 3.711 7.899 7.793 909 HG12 VAL 122 2HG1 VAL 122 5.364 8.416 7.379 910 HG13 VAL 122 3HG1 VAL 122 4.908 6.700 7.247 911 HG21 VAL 122 1HG2 VAL 122 3.076 7.217 9.593 912 HG22 VAL 122 2HG2 VAL 122 4.077 6.387 10.809 913 HG23 VAL 122 3HG2 VAL 122 3.936 8.161 10.833 914 H SER 123 H SER 123 8.498 7.110 9.333 915 HA SER 123 HA SER 123 8.836 6.596 6.531 916 HB2 SER 123 1HB SER 123 9.658 8.720 7.282 917 HB3 SER 123 2HB SER 123 10.494 8.009 8.649 918 HG SER 123 HG SER 123 11.688 8.631 6.491 919 H GLU 124 H GLU 124 9.952 5.404 9.713 920 HA GLU 124 HA GLU 124 12.053 3.858 8.682 921 HB2 GLU 124 1HB GLU 124 12.444 3.302 10.878 922 HB3 GLU 124 2HB GLU 124 11.388 4.671 11.164 923 HG2 GLU 124 1HG GLU 124 9.423 3.128 11.306 924 HG3 GLU 124 2HG GLU 124 10.476 1.758 11.015 925 H ALA 125 H ALA 125 8.625 3.152 9.604 926 HA ALA 125 HA ALA 125 8.697 0.415 9.178 927 HB1 ALA 125 1HB ALA 125 6.232 0.663 8.932 928 HB2 ALA 125 2HB ALA 125 6.870 1.585 10.315 929 HB3 ALA 125 3HB ALA 125 6.441 2.426 8.806 930 H VAL 126 H VAL 126 8.377 3.173 6.916 931 HA VAL 126 HA VAL 126 7.714 1.499 4.700 932 HB VAL 126 HB VAL 126 8.581 4.380 4.969 933 HG11 VAL 126 1HG1 VAL 126 7.232 3.667 2.476 934 HG12 VAL 126 2HG1 VAL 126 8.711 4.620 2.746 935 HG13 VAL 126 3HG1 VAL 126 8.799 2.844 2.663 936 HG21 VAL 126 1HG2 VAL 126 5.864 3.216 4.285 937 HG22 VAL 126 2HG2 VAL 126 6.355 3.722 5.919 938 HG23 VAL 126 3HG2 VAL 126 6.265 4.920 4.606 939 H GLN 127 H GLN 127 10.675 3.214 5.889 940 HA GLN 127 HA GLN 127 12.286 2.445 3.787 941 HB2 GLN 127 1HB GLN 127 12.945 3.098 6.689 942 HB3 GLN 127 2HB GLN 127 14.173 2.867 5.460 943 HG2 GLN 127 1HG GLN 127 12.104 4.698 4.495 944 HG3 GLN 127 2HG GLN 127 12.741 5.255 6.030 945 HE21 GLN 127 1HE2 GLN 127 13.664 7.025 4.951 946 HE22 GLN 127 2HE2 GLN 127 15.141 6.895 4.056 947 H ALA 128 H ALA 128 11.850 0.939 7.068 948 HA ALA 128 HA ALA 128 13.592 -1.100 6.946 949 HB1 ALA 128 1HB ALA 128 12.282 -0.821 8.898 950 HB2 ALA 128 2HB ALA 128 10.753 -0.939 7.995 951 HB3 ALA 128 3HB ALA 128 11.758 -2.388 8.235 952 H ALA 129 H ALA 129 10.576 -0.721 5.077 953 HA ALA 129 HA ALA 129 10.604 -3.414 4.122 954 HB1 ALA 129 1HB ALA 129 9.088 -1.683 2.427 955 HB2 ALA 129 2HB ALA 129 8.490 -2.810 3.668 956 HB3 ALA 129 3HB ALA 129 8.863 -1.125 4.102 957 H CYS 130 H CYS 130 11.469 -0.156 2.784 958 HA CYS 130 HA CYS 130 12.189 -0.970 0.275 959 HB2 CYS 130 1HB CYS 130 11.995 1.393 1.057 960 HB3 CYS 130 2HB CYS 130 13.520 1.220 1.903 961 HG CYS 130 HG CYS 130 13.204 0.321 -1.247 962 H SER 131 H SER 131 14.327 -0.520 3.195 963 HA SER 131 HA SER 131 16.379 -1.203 3.573 964 HB2 SER 131 1HB SER 131 16.612 -3.744 3.498 965 HB3 SER 131 2HB SER 131 15.229 -3.137 4.387 966 HG SER 131 HG SER 131 13.989 -4.286 3.089 967 H GLY 132 H GLY 132 17.678 -0.118 2.014 968 HA2 GLY 132 1HA GLY 132 18.884 -1.842 0.031 969 HA3 GLY 132 2HA GLY 132 17.945 -0.523 -0.639 970 HA PRO 133 HA PRO 133 21.282 2.141 0.116 971 HB2 PRO 133 1HB PRO 133 20.063 4.580 0.300 972 HB3 PRO 133 2HB PRO 133 20.391 3.785 -1.227 973 HG2 PRO 133 1HG PRO 133 17.816 4.078 0.195 974 HG3 PRO 133 2HG PRO 133 18.102 3.680 -1.488 975 HD2 PRO 133 1HD PRO 133 17.345 1.865 0.601 976 HD3 PRO 133 2HD PRO 133 17.744 1.450 -1.054 977 H SER 134 H SER 134 21.157 0.747 2.279 978 HA SER 134 HA SER 134 20.578 2.522 4.457 979 HB2 SER 134 1HB SER 134 21.235 0.522 5.858 980 HB3 SER 134 2HB SER 134 19.908 0.223 4.753 981 HG SER 134 HG SER 134 21.068 -1.362 3.925 982 H SER 135 H SER 135 23.421 0.494 3.402 983 HA SER 135 HA SER 135 25.155 2.003 5.058 984 HB2 SER 135 1HB SER 135 25.777 -0.264 4.782 985 HB3 SER 135 2HB SER 135 25.494 -0.238 3.053 986 HG SER 135 HG SER 135 27.826 -0.098 4.044 987 H GLY 136 H GLY 136 26.651 3.621 4.445 988 HA2 GLY 136 1HA GLY 136 26.420 4.551 1.644 989 HA3 GLY 136 2HA GLY 136 26.503 5.623 3.028 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -19.234 -0.996 -19.426 2 HA2 GLY 1 1HA GLY 1 -20.126 -3.551 -20.039 3 HA3 GLY 1 2HA GLY 1 -18.394 -3.677 -19.802 4 H SER 2 H SER 2 -19.081 -5.061 -17.908 5 HA SER 2 HA SER 2 -19.176 -3.369 -15.590 6 HB2 SER 2 1HB SER 2 -21.564 -4.502 -16.522 7 HB3 SER 2 2HB SER 2 -21.046 -5.629 -15.283 8 HG SER 2 HG SER 2 -21.189 -2.767 -14.870 9 H SER 3 H SER 3 -18.070 -4.314 -13.825 10 HA SER 3 HA SER 3 -17.102 -7.016 -14.351 11 HB2 SER 3 1HB SER 3 -14.981 -6.426 -13.356 12 HB3 SER 3 2HB SER 3 -15.357 -5.203 -14.554 13 HG SER 3 HG SER 3 -15.220 -3.745 -13.005 14 H GLY 4 H GLY 4 -16.677 -8.346 -12.384 15 HA2 GLY 4 1HA GLY 4 -18.765 -8.336 -10.565 16 HA3 GLY 4 2HA GLY 4 -17.238 -9.173 -10.372 17 H SER 5 H SER 5 -17.601 -8.653 -8.017 18 HA SER 5 HA SER 5 -16.850 -5.890 -7.474 19 HB2 SER 5 1HB SER 5 -18.986 -6.407 -6.463 20 HB3 SER 5 2HB SER 5 -18.392 -7.924 -5.818 21 HG SER 5 HG SER 5 -16.880 -6.637 -4.485 22 H SER 6 H SER 6 -14.659 -5.752 -7.128 23 HA SER 6 HA SER 6 -12.976 -7.797 -6.710 24 HB2 SER 6 1HB SER 6 -11.387 -6.102 -5.780 25 HB3 SER 6 2HB SER 6 -12.194 -5.550 -7.234 26 HG SER 6 HG SER 6 -13.368 -4.080 -6.101 27 H GLY 7 H GLY 7 -12.203 -9.013 -4.952 28 HA2 GLY 7 1HA GLY 7 -13.861 -9.220 -2.668 29 HA3 GLY 7 2HA GLY 7 -12.325 -10.020 -2.942 30 HA PRO 8 HA PRO 8 -11.849 -6.652 0.192 31 HB2 PRO 8 1HB PRO 8 -11.774 -8.110 2.502 32 HB3 PRO 8 2HB PRO 8 -13.216 -7.297 1.929 33 HG2 PRO 8 1HG PRO 8 -12.566 -10.180 1.869 34 HG3 PRO 8 2HG PRO 8 -14.128 -9.404 1.705 35 HD2 PRO 8 1HD PRO 8 -12.538 -10.523 -0.403 36 HD3 PRO 8 2HD PRO 8 -14.044 -9.645 -0.580 37 H THR 9 H THR 9 -10.090 -6.638 2.145 38 HA THR 9 HA THR 9 -7.702 -7.452 0.716 39 HB THR 9 HB THR 9 -6.667 -6.158 2.709 40 HG1 THR 9 1HG THR 9 -8.508 -6.442 4.131 41 HG21 THR 9 1HG2 THR 9 -8.844 -4.741 1.081 42 HG22 THR 9 2HG2 THR 9 -7.532 -3.931 1.971 43 HG23 THR 9 3HG2 THR 9 -7.154 -4.958 0.567 44 HA PRO 10 HA PRO 10 -6.960 -11.000 3.010 45 HB2 PRO 10 1HB PRO 10 -4.252 -11.251 2.737 46 HB3 PRO 10 2HB PRO 10 -5.389 -11.733 1.494 47 HG2 PRO 10 1HG PRO 10 -3.639 -9.352 1.584 48 HG3 PRO 10 2HG PRO 10 -4.446 -10.069 0.204 49 HD2 PRO 10 1HD PRO 10 -5.237 -7.700 1.614 50 HD3 PRO 10 2HD PRO 10 -6.106 -8.482 0.309 51 H LYS 11 H LYS 11 -5.416 -12.010 4.761 52 HA LYS 11 HA LYS 11 -4.855 -9.851 6.662 53 HB2 LYS 11 1HB LYS 11 -6.804 -12.045 6.914 54 HB3 LYS 11 2HB LYS 11 -5.702 -11.916 8.270 55 HG2 LYS 11 1HG LYS 11 -6.290 -9.574 8.628 56 HG3 LYS 11 2HG LYS 11 -7.199 -9.514 7.131 57 HD2 LYS 11 1HD LYS 11 -9.049 -10.497 8.063 58 HD3 LYS 11 2HD LYS 11 -8.100 -11.678 8.943 59 HE2 LYS 11 1HE LYS 11 -7.430 -9.758 10.540 60 HE3 LYS 11 2HE LYS 11 -8.660 -8.791 9.751 61 HZ1 LYS 11 1HZ LYS 11 -8.972 -11.007 11.541 62 HZ2 LYS 11 2HZ LYS 11 -9.952 -9.726 11.286 63 HZ3 LYS 11 3HZ LYS 11 -10.005 -11.009 10.277 64 H THR 12 H THR 12 -2.795 -10.570 5.198 65 HA THR 12 HA THR 12 -1.428 -12.663 6.760 66 HB THR 12 HB THR 12 -0.043 -12.888 4.617 67 HG1 THR 12 1HG THR 12 -0.683 -10.738 3.820 68 HG21 THR 12 1HG2 THR 12 -2.840 -13.218 3.629 69 HG22 THR 12 2HG2 THR 12 -1.527 -14.416 3.721 70 HG23 THR 12 3HG2 THR 12 -2.497 -14.046 5.167 71 H GLU 13 H GLU 13 0.527 -12.230 7.701 72 HA GLU 13 HA GLU 13 2.104 -11.031 8.587 73 HB2 GLU 13 1HB GLU 13 1.963 -9.696 5.866 74 HB3 GLU 13 2HB GLU 13 3.109 -9.145 7.071 75 HG2 GLU 13 1HG GLU 13 3.025 -12.105 6.659 76 HG3 GLU 13 2HG GLU 13 3.607 -11.179 5.290 77 H LEU 14 H LEU 14 2.599 -8.993 9.746 78 HA LEU 14 HA LEU 14 0.204 -7.680 10.517 79 HB2 LEU 14 1HB LEU 14 2.596 -8.227 11.692 80 HB3 LEU 14 2HB LEU 14 2.799 -6.528 11.313 81 HG LEU 14 HG LEU 14 0.232 -6.730 12.456 82 HD11 LEU 14 1HD1 LEU 14 0.501 -7.881 14.524 83 HD12 LEU 14 2HD1 LEU 14 0.962 -9.008 13.226 84 HD13 LEU 14 3HD1 LEU 14 2.220 -8.205 14.196 85 HD21 LEU 14 1HD2 LEU 14 1.164 -4.808 13.112 86 HD22 LEU 14 2HD2 LEU 14 1.834 -5.755 14.462 87 HD23 LEU 14 3HD2 LEU 14 2.817 -5.460 13.008 88 H VAL 15 H VAL 15 -0.222 -5.354 10.396 89 HA VAL 15 HA VAL 15 1.143 -4.092 8.126 90 HB VAL 15 HB VAL 15 -1.826 -4.128 8.704 91 HG11 VAL 15 1HG1 VAL 15 -2.069 -2.340 7.389 92 HG12 VAL 15 2HG1 VAL 15 -0.300 -2.144 7.422 93 HG13 VAL 15 3HG1 VAL 15 -1.068 -3.074 6.113 94 HG21 VAL 15 1HG2 VAL 15 -1.969 -5.287 6.499 95 HG22 VAL 15 2HG2 VAL 15 -0.192 -5.397 6.482 96 HG23 VAL 15 3HG2 VAL 15 -1.124 -6.234 7.747 97 H GLN 16 H GLN 16 1.459 -1.833 8.307 98 HA GLN 16 HA GLN 16 0.878 -0.845 10.989 99 HB2 GLN 16 1HB GLN 16 3.261 -0.582 9.186 100 HB3 GLN 16 2HB GLN 16 2.857 0.815 10.165 101 HG2 GLN 16 1HG GLN 16 3.259 -0.300 12.187 102 HG3 GLN 16 2HG GLN 16 2.884 -1.877 11.521 103 HE21 GLN 16 1HE2 GLN 16 5.259 0.674 11.769 104 HE22 GLN 16 2HE2 GLN 16 6.651 -0.234 11.283 105 H LYS 17 H LYS 17 -0.862 0.515 10.946 106 HA LYS 17 HA LYS 17 -1.131 2.237 8.584 107 HB2 LYS 17 1HB LYS 17 -3.099 0.828 10.336 108 HB3 LYS 17 2HB LYS 17 -3.560 2.391 9.692 109 HG2 LYS 17 1HG LYS 17 -3.261 1.658 7.411 110 HG3 LYS 17 2HG LYS 17 -2.400 0.214 7.906 111 HD2 LYS 17 1HD LYS 17 -5.324 0.777 8.590 112 HD3 LYS 17 2HD LYS 17 -4.808 -0.199 7.229 113 HE2 LYS 17 1HE LYS 17 -4.333 -2.005 8.551 114 HE3 LYS 17 2HE LYS 17 -3.513 -1.028 9.753 115 HZ1 LYS 17 1HZ LYS 17 -5.365 -0.857 10.946 116 HZ2 LYS 17 2HZ LYS 17 -6.344 -0.638 9.658 117 HZ3 LYS 17 3HZ LYS 17 -5.897 -2.146 10.097 118 H PHE 18 H PHE 18 -0.815 4.389 8.826 119 HA PHE 18 HA PHE 18 -0.971 5.433 11.563 120 HB2 PHE 18 1HB PHE 18 1.064 5.900 9.305 121 HB3 PHE 18 2HB PHE 18 0.985 6.934 10.718 122 HD1 PHE 18 1HD PHE 18 1.163 5.685 13.029 123 HD2 PHE 18 2HD PHE 18 2.490 4.078 9.332 124 HE1 PHE 18 1HE PHE 18 2.696 4.122 14.258 125 HE2 PHE 18 2HE PHE 18 4.023 2.516 10.561 126 HZ PHE 18 HZ PHE 18 4.108 2.557 13.009 127 H ARG 19 H ARG 19 -2.505 6.994 11.701 128 HA ARG 19 HA ARG 19 -3.742 7.983 9.426 129 HB2 ARG 19 1HB ARG 19 -4.525 7.836 11.960 130 HB3 ARG 19 2HB ARG 19 -3.816 9.433 12.095 131 HG2 ARG 19 1HG ARG 19 -5.362 9.493 9.704 132 HG3 ARG 19 2HG ARG 19 -6.352 8.648 10.877 133 HD2 ARG 19 1HD ARG 19 -5.433 10.711 12.439 134 HD3 ARG 19 2HD ARG 19 -5.428 11.496 10.873 135 HE ARG 19 HE ARG 19 -7.902 10.175 11.022 136 HH11 ARG 19 2HH2 ARG 19 -6.226 12.658 12.867 137 HH12 ARG 19 1HH2 ARG 19 -7.684 13.435 13.388 138 HH21 ARG 19 2HH1 ARG 19 -9.826 11.199 11.709 139 HH22 ARG 19 1HH1 ARG 19 -9.745 12.599 12.725 140 H VAL 20 H VAL 20 -2.564 9.224 7.963 141 HA VAL 20 HA VAL 20 -1.186 11.561 9.093 142 HB VAL 20 HB VAL 20 0.538 11.334 7.475 143 HG11 VAL 20 1HG1 VAL 20 1.640 9.817 8.693 144 HG12 VAL 20 2HG1 VAL 20 0.098 9.471 9.512 145 HG13 VAL 20 3HG1 VAL 20 0.602 8.493 8.112 146 HG21 VAL 20 1HG2 VAL 20 0.489 9.163 6.001 147 HG22 VAL 20 2HG2 VAL 20 -1.271 9.266 6.252 148 HG23 VAL 20 3HG2 VAL 20 -0.401 10.615 5.483 149 H GLN 21 H GLN 21 -1.140 13.456 7.636 150 HA GLN 21 HA GLN 21 -3.632 13.564 6.198 151 HB2 GLN 21 1HB GLN 21 -1.702 15.578 7.330 152 HB3 GLN 21 2HB GLN 21 -2.732 16.090 6.008 153 HG2 GLN 21 1HG GLN 21 -4.747 15.319 7.289 154 HG3 GLN 21 2HG GLN 21 -3.710 14.833 8.616 155 HE21 GLN 21 1HE2 GLN 21 -5.398 17.358 7.106 156 HE22 GLN 21 2HE2 GLN 21 -4.901 18.681 8.107 157 H TYR 22 H TYR 22 -3.815 14.237 3.971 158 HA TYR 22 HA TYR 22 -1.401 13.613 2.442 159 HB2 TYR 22 1HB TYR 22 -3.909 12.624 2.285 160 HB3 TYR 22 2HB TYR 22 -4.242 14.112 1.423 161 HD1 TYR 22 1HD TYR 22 -1.063 13.778 0.437 162 HD2 TYR 22 2HD TYR 22 -4.738 11.621 0.058 163 HE1 TYR 22 1HE TYR 22 -0.225 12.715 -1.715 164 HE2 TYR 22 2HE TYR 22 -3.889 10.566 -2.093 165 HH TYR 22 HH TYR 22 -2.250 11.157 -3.861 166 H LEU 23 H LEU 23 -0.175 15.325 1.830 167 HA LEU 23 HA LEU 23 -1.333 17.943 1.722 168 HB2 LEU 23 1HB LEU 23 1.393 16.757 1.420 169 HB3 LEU 23 2HB LEU 23 1.098 18.370 0.802 170 HG LEU 23 HG LEU 23 0.039 18.596 3.306 171 HD11 LEU 23 1HD1 LEU 23 2.501 17.292 4.161 172 HD12 LEU 23 2HD1 LEU 23 0.849 17.171 4.813 173 HD13 LEU 23 3HD1 LEU 23 1.340 16.151 3.440 174 HD21 LEU 23 1HD2 LEU 23 2.950 19.065 3.209 175 HD22 LEU 23 2HD2 LEU 23 2.022 19.777 1.868 176 HD23 LEU 23 3HD2 LEU 23 1.609 20.184 3.551 177 H GLY 24 H GLY 24 -0.106 15.479 -0.608 178 HA2 GLY 24 1HA GLY 24 -1.671 15.523 -2.628 179 HA3 GLY 24 2HA GLY 24 -1.098 17.169 -2.812 180 H MET 25 H MET 25 -0.719 15.138 -4.799 181 HA MET 25 HA MET 25 1.997 14.256 -4.481 182 HB2 MET 25 1HB MET 25 0.122 12.869 -5.547 183 HB3 MET 25 2HB MET 25 0.088 14.015 -6.872 184 HG2 MET 25 1HG MET 25 2.680 12.630 -6.081 185 HG3 MET 25 2HG MET 25 1.530 11.842 -7.143 186 HE1 MET 25 1HE MET 25 1.838 12.886 -10.286 187 HE2 MET 25 2HE MET 25 0.627 12.564 -9.022 188 HE3 MET 25 3HE MET 25 0.755 14.188 -9.738 189 H LEU 26 H LEU 26 3.799 15.171 -5.441 190 HA LEU 26 HA LEU 26 3.285 17.309 -7.383 191 HB2 LEU 26 1HB LEU 26 3.781 18.110 -5.029 192 HB3 LEU 26 2HB LEU 26 5.387 17.439 -5.226 193 HG LEU 26 HG LEU 26 4.557 19.241 -7.410 194 HD11 LEU 26 1HD1 LEU 26 3.707 20.868 -6.148 195 HD12 LEU 26 2HD1 LEU 26 4.197 20.066 -4.636 196 HD13 LEU 26 3HD1 LEU 26 5.354 21.097 -5.512 197 HD21 LEU 26 1HD2 LEU 26 6.788 19.868 -7.420 198 HD22 LEU 26 2HD2 LEU 26 7.013 19.496 -5.694 199 HD23 LEU 26 3HD2 LEU 26 6.863 18.174 -6.878 200 HA PRO 27 HA PRO 27 6.118 14.894 -9.623 201 HB2 PRO 27 1HB PRO 27 6.201 16.414 -11.893 202 HB3 PRO 27 2HB PRO 27 4.955 15.220 -11.584 203 HG2 PRO 27 1HG PRO 27 4.777 18.167 -11.430 204 HG3 PRO 27 2HG PRO 27 3.481 16.993 -11.545 205 HD2 PRO 27 1HD PRO 27 4.310 18.409 -9.193 206 HD3 PRO 27 2HD PRO 27 3.092 17.152 -9.285 207 H VAL 28 H VAL 28 8.305 14.727 -10.159 208 HA VAL 28 HA VAL 28 9.771 17.224 -9.769 209 HB VAL 28 HB VAL 28 11.348 16.120 -8.286 210 HG11 VAL 28 1HG1 VAL 28 10.136 16.462 -6.369 211 HG12 VAL 28 2HG1 VAL 28 9.033 17.207 -7.551 212 HG13 VAL 28 3HG1 VAL 28 8.724 15.555 -6.963 213 HG21 VAL 28 1HG2 VAL 28 9.512 13.735 -8.615 214 HG22 VAL 28 2HG2 VAL 28 11.265 13.837 -8.911 215 HG23 VAL 28 3HG2 VAL 28 10.639 13.899 -7.246 216 H ASP 29 H ASP 29 12.222 16.754 -10.347 217 HA ASP 29 HA ASP 29 12.082 15.417 -12.894 218 HB2 ASP 29 1HB ASP 29 13.729 17.536 -11.632 219 HB3 ASP 29 2HB ASP 29 14.674 16.421 -12.599 220 H ARG 30 H ARG 30 14.393 15.659 -10.073 221 HA ARG 30 HA ARG 30 15.707 13.290 -10.833 222 HB2 ARG 30 1HB ARG 30 16.185 15.455 -9.062 223 HB3 ARG 30 2HB ARG 30 16.082 14.053 -8.016 224 HG2 ARG 30 1HG ARG 30 17.637 13.064 -10.084 225 HG3 ARG 30 2HG ARG 30 18.136 14.744 -10.057 226 HD2 ARG 30 1HD ARG 30 18.126 14.157 -7.352 227 HD3 ARG 30 2HD ARG 30 18.580 12.605 -8.027 228 HE ARG 30 HE ARG 30 20.112 14.665 -9.315 229 HH11 ARG 30 2HH2 ARG 30 19.836 13.006 -6.224 230 HH12 ARG 30 1HH2 ARG 30 21.497 13.252 -5.798 231 HH21 ARG 30 2HH1 ARG 30 22.304 14.989 -8.754 232 HH22 ARG 30 1HH1 ARG 30 22.910 14.388 -7.247 233 HA PRO 31 HA PRO 31 13.025 10.543 -8.730 234 HB2 PRO 31 1HB PRO 31 14.484 8.245 -8.970 235 HB3 PRO 31 2HB PRO 31 13.447 8.859 -10.242 236 HG2 PRO 31 1HG PRO 31 16.397 8.922 -10.064 237 HG3 PRO 31 2HG PRO 31 15.378 9.132 -11.474 238 HD2 PRO 31 1HD PRO 31 16.731 11.196 -10.013 239 HD3 PRO 31 2HD PRO 31 15.621 11.414 -11.351 240 H VAL 32 H VAL 32 16.061 11.465 -7.662 241 HA VAL 32 HA VAL 32 15.322 10.518 -4.998 242 HB VAL 32 HB VAL 32 17.736 9.949 -4.628 243 HG11 VAL 32 1HG1 VAL 32 17.163 7.950 -6.615 244 HG12 VAL 32 2HG1 VAL 32 17.025 7.847 -4.844 245 HG13 VAL 32 3HG1 VAL 32 15.650 8.432 -5.810 246 HG21 VAL 32 1HG2 VAL 32 18.619 11.188 -6.602 247 HG22 VAL 32 2HG2 VAL 32 19.176 9.499 -6.520 248 HG23 VAL 32 3HG2 VAL 32 17.888 9.957 -7.660 249 H GLY 33 H GLY 33 17.447 11.552 -3.560 250 HA2 GLY 33 1HA GLY 33 18.691 13.516 -3.225 251 HA3 GLY 33 2HA GLY 33 17.718 14.350 -4.421 252 H MET 34 H MET 34 18.263 15.303 -1.728 253 HA MET 34 HA MET 34 15.714 14.891 -0.406 254 HB2 MET 34 1HB MET 34 18.407 16.085 0.416 255 HB3 MET 34 2HB MET 34 16.986 16.306 1.417 256 HG2 MET 34 1HG MET 34 17.228 13.497 0.643 257 HG3 MET 34 2HG MET 34 18.726 14.049 1.367 258 HE1 MET 34 1HE MET 34 14.619 13.637 3.281 259 HE2 MET 34 2HE MET 34 14.971 13.881 1.553 260 HE3 MET 34 3HE MET 34 15.462 12.371 2.357 261 H ASP 35 H ASP 35 17.883 17.497 -1.670 262 HA ASP 35 HA ASP 35 16.556 19.684 -0.935 263 HB2 ASP 35 1HB ASP 35 18.152 18.885 -3.317 264 HB3 ASP 35 2HB ASP 35 17.125 20.279 -3.589 265 H THR 36 H THR 36 15.990 17.850 -4.045 266 HA THR 36 HA THR 36 13.743 19.260 -4.859 267 HB THR 36 HB THR 36 14.799 16.437 -5.343 268 HG1 THR 36 1HG THR 36 15.124 17.687 -7.454 269 HG21 THR 36 1HG2 THR 36 13.028 15.929 -6.708 270 HG22 THR 36 2HG2 THR 36 12.141 17.217 -5.858 271 HG23 THR 36 3HG2 THR 36 12.992 17.577 -7.380 272 H LEU 37 H LEU 37 14.021 16.401 -2.691 273 HA LEU 37 HA LEU 37 11.342 15.806 -2.508 274 HB2 LEU 37 1HB LEU 37 13.216 14.465 -1.636 275 HB3 LEU 37 2HB LEU 37 13.456 15.636 -0.355 276 HG LEU 37 HG LEU 37 10.845 15.059 0.057 277 HD11 LEU 37 1HD1 LEU 37 11.075 12.362 -0.087 278 HD12 LEU 37 2HD1 LEU 37 10.256 13.368 -1.305 279 HD13 LEU 37 3HD1 LEU 37 11.937 12.845 -1.568 280 HD21 LEU 37 1HD2 LEU 37 11.538 14.106 2.009 281 HD22 LEU 37 2HD2 LEU 37 12.801 13.130 1.222 282 HD23 LEU 37 3HD2 LEU 37 13.064 14.868 1.500 283 H ASN 38 H ASN 38 13.198 17.759 -0.063 284 HA ASN 38 HA ASN 38 11.030 18.672 1.270 285 HB2 ASN 38 1HB ASN 38 13.774 19.875 0.733 286 HB3 ASN 38 2HB ASN 38 12.610 20.767 1.692 287 HD21 ASN 38 1HD2 ASN 38 14.655 17.972 1.478 288 HD22 ASN 38 2HD2 ASN 38 14.550 17.447 3.125 289 H SER 39 H SER 39 12.737 20.068 -1.610 290 HA SER 39 HA SER 39 11.522 22.444 -1.833 291 HB2 SER 39 1HB SER 39 13.292 21.385 -3.349 292 HB3 SER 39 2HB SER 39 11.988 20.578 -4.197 293 HG SER 39 HG SER 39 12.815 22.770 -5.014 294 H ALA 40 H ALA 40 10.228 19.213 -2.774 295 HA ALA 40 HA ALA 40 7.915 20.173 -4.044 296 HB1 ALA 40 1HB ALA 40 9.137 17.657 -3.310 297 HB2 ALA 40 2HB ALA 40 7.405 17.624 -2.902 298 HB3 ALA 40 3HB ALA 40 7.921 17.989 -4.566 299 H ILE 41 H ILE 41 8.385 18.753 -0.725 300 HA ILE 41 HA ILE 41 5.869 19.149 0.222 301 HB ILE 41 HB ILE 41 8.529 19.347 1.631 302 HG12 ILE 41 1HG1 ILE 41 6.555 17.054 1.437 303 HG13 ILE 41 2HG1 ILE 41 7.995 17.211 0.452 304 HG21 ILE 41 1HG2 ILE 41 6.386 18.525 3.356 305 HG22 ILE 41 2HG2 ILE 41 7.520 19.886 3.530 306 HG23 ILE 41 3HG2 ILE 41 5.998 20.105 2.635 307 HD11 ILE 41 1HD1 ILE 41 7.859 16.921 3.483 308 HD12 ILE 41 2HD1 ILE 41 8.572 15.784 2.313 309 HD13 ILE 41 3HD1 ILE 41 9.352 17.355 2.616 310 H GLU 42 H GLU 42 8.638 21.491 0.498 311 HA GLU 42 HA GLU 42 7.360 23.492 1.730 312 HB2 GLU 42 1HB GLU 42 9.609 23.305 -0.209 313 HB3 GLU 42 2HB GLU 42 8.890 24.898 -0.084 314 HG2 GLU 42 1HG GLU 42 9.070 24.536 2.515 315 HG3 GLU 42 2HG GLU 42 10.183 23.244 2.112 316 H ASN 43 H ASN 43 7.245 22.696 -1.790 317 HA ASN 43 HA ASN 43 5.862 24.916 -2.604 318 HB2 ASN 43 1HB ASN 43 6.858 22.706 -3.852 319 HB3 ASN 43 2HB ASN 43 5.165 22.254 -3.838 320 HD21 ASN 43 1HD2 ASN 43 4.043 22.832 -5.523 321 HD22 ASN 43 2HD2 ASN 43 4.320 24.191 -6.561 322 H LEU 44 H LEU 44 4.609 21.570 -1.840 323 HA LEU 44 HA LEU 44 1.923 22.162 -2.034 324 HB2 LEU 44 1HB LEU 44 3.567 20.069 -0.705 325 HB3 LEU 44 2HB LEU 44 1.886 20.198 -0.230 326 HG LEU 44 HG LEU 44 2.786 19.886 -3.104 327 HD11 LEU 44 1HD1 LEU 44 1.605 17.627 -1.528 328 HD12 LEU 44 2HD1 LEU 44 2.634 17.595 -2.980 329 HD13 LEU 44 3HD1 LEU 44 3.345 17.980 -1.394 330 HD21 LEU 44 1HD2 LEU 44 0.466 19.257 -3.524 331 HD22 LEU 44 2HD2 LEU 44 0.072 19.512 -1.807 332 HD23 LEU 44 3HD2 LEU 44 0.569 20.888 -2.820 333 H MET 45 H MET 45 4.182 22.458 0.762 334 HA MET 45 HA MET 45 2.344 23.029 2.686 335 HB2 MET 45 1HB MET 45 5.234 23.543 2.166 336 HB3 MET 45 2HB MET 45 4.524 24.701 3.273 337 HG2 MET 45 1HG MET 45 3.561 22.090 4.028 338 HG3 MET 45 2HG MET 45 5.293 21.961 3.793 339 HE1 MET 45 1HE MET 45 3.875 22.479 7.518 340 HE2 MET 45 2HE MET 45 3.920 21.341 6.150 341 HE3 MET 45 3HE MET 45 5.417 21.739 7.026 342 H THR 46 H THR 46 4.213 25.462 0.718 343 HA THR 46 HA THR 46 2.470 27.574 1.598 344 HB THR 46 HB THR 46 4.907 27.916 1.237 345 HG1 THR 46 1HG THR 46 3.275 29.617 0.750 346 HG21 THR 46 1HG2 THR 46 5.008 28.141 -1.603 347 HG22 THR 46 2HG2 THR 46 5.915 26.989 -0.594 348 HG23 THR 46 3HG2 THR 46 4.336 26.526 -1.273 349 H SER 47 H SER 47 0.595 26.038 0.756 350 HA SER 47 HA SER 47 -0.350 27.387 -1.542 351 HB2 SER 47 1HB SER 47 1.127 25.180 -2.188 352 HB3 SER 47 2HB SER 47 -0.440 24.428 -1.967 353 HG SER 47 HG SER 47 -0.261 26.818 -3.539 354 H SER 48 H SER 48 -0.872 24.148 0.052 355 HA SER 48 HA SER 48 -3.627 24.959 0.459 356 HB2 SER 48 1HB SER 48 -2.231 22.256 0.485 357 HB3 SER 48 2HB SER 48 -3.875 22.452 1.058 358 HG SER 48 HG SER 48 -4.606 22.759 -0.967 359 H SER 49 H SER 49 -4.656 24.538 2.594 360 HA SER 49 HA SER 49 -2.929 25.342 4.670 361 HB2 SER 49 1HB SER 49 -5.783 24.320 4.956 362 HB3 SER 49 2HB SER 49 -4.929 25.398 6.043 363 HG SER 49 HG SER 49 -4.806 26.613 3.680 364 H LYS 50 H LYS 50 -3.249 24.082 6.942 365 HA LYS 50 HA LYS 50 -2.098 21.514 6.501 366 HB2 LYS 50 1HB LYS 50 -1.151 22.554 8.315 367 HB3 LYS 50 2HB LYS 50 -2.654 23.287 8.838 368 HG2 LYS 50 1HG LYS 50 -3.459 21.236 9.793 369 HG3 LYS 50 2HG LYS 50 -2.276 20.271 8.935 370 HD2 LYS 50 1HD LYS 50 -0.443 21.372 10.262 371 HD3 LYS 50 2HD LYS 50 -1.650 22.286 11.145 372 HE2 LYS 50 1HE LYS 50 -1.978 19.291 11.046 373 HE3 LYS 50 2HE LYS 50 -0.692 19.929 12.052 374 HZ1 LYS 50 1HZ LYS 50 -3.213 21.269 12.322 375 HZ2 LYS 50 2HZ LYS 50 -3.208 19.718 12.832 376 HZ3 LYS 50 3HZ LYS 50 -2.157 20.792 13.473 377 H GLU 51 H GLU 51 -5.202 22.731 7.929 378 HA GLU 51 HA GLU 51 -6.199 20.184 8.414 379 HB2 GLU 51 1HB GLU 51 -7.615 22.849 7.987 380 HB3 GLU 51 2HB GLU 51 -8.430 21.400 8.538 381 HG2 GLU 51 1HG GLU 51 -7.012 21.288 10.540 382 HG3 GLU 51 2HG GLU 51 -6.012 22.605 9.960 383 H ASP 52 H ASP 52 -6.260 22.333 5.554 384 HA ASP 52 HA ASP 52 -8.253 21.266 4.112 385 HB2 ASP 52 1HB ASP 52 -5.530 22.359 3.401 386 HB3 ASP 52 2HB ASP 52 -6.482 21.639 2.118 387 H TRP 53 H TRP 53 -5.197 19.809 5.091 388 HA TRP 53 HA TRP 53 -5.128 17.810 3.053 389 HB2 TRP 53 1HB TRP 53 -3.703 17.804 5.713 390 HB3 TRP 53 2HB TRP 53 -3.285 16.902 4.270 391 HD1 TRP 53 HD TRP 53 -3.501 19.420 2.184 392 HE1 TRP 53 1HE TRP 53 -1.639 21.289 2.115 393 HE3 TRP 53 3HE TRP 53 -1.708 18.545 6.861 394 HZ2 TRP 53 2HZ TRP 53 0.330 22.171 3.982 395 HZ3 TRP 53 3HZ TRP 53 0.186 19.954 7.661 396 HH2 TRP 53 HH TRP 53 1.200 21.717 6.304 397 HA PRO 54 HA PRO 54 -8.144 15.344 5.048 398 HB2 PRO 54 1HB PRO 54 -8.178 13.279 3.259 399 HB3 PRO 54 2HB PRO 54 -9.106 14.750 3.042 400 HG2 PRO 54 1HG PRO 54 -6.627 13.903 1.672 401 HG3 PRO 54 2HG PRO 54 -7.783 15.129 1.191 402 HD2 PRO 54 1HD PRO 54 -5.209 15.570 2.375 403 HD3 PRO 54 2HD PRO 54 -6.413 16.787 2.001 404 H SER 55 H SER 55 -8.193 13.900 6.689 405 HA SER 55 HA SER 55 -5.666 12.857 7.368 406 HB2 SER 55 1HB SER 55 -7.937 11.660 8.798 407 HB3 SER 55 2HB SER 55 -6.606 12.613 9.423 408 HG SER 55 HG SER 55 -7.903 14.305 9.521 409 H VAL 56 H VAL 56 -4.840 11.218 6.081 410 HA VAL 56 HA VAL 56 -6.668 9.000 5.474 411 HB VAL 56 HB VAL 56 -5.308 8.551 3.553 412 HG11 VAL 56 1HG1 VAL 56 -6.004 10.304 2.203 413 HG12 VAL 56 2HG1 VAL 56 -7.054 10.502 3.626 414 HG13 VAL 56 3HG1 VAL 56 -5.622 11.540 3.426 415 HG21 VAL 56 1HG2 VAL 56 -3.587 10.967 3.915 416 HG22 VAL 56 2HG2 VAL 56 -3.192 9.514 4.864 417 HG23 VAL 56 3HG2 VAL 56 -3.247 9.428 3.087 418 H ASN 57 H ASN 57 -5.442 6.820 5.288 419 HA ASN 57 HA ASN 57 -3.631 6.721 7.567 420 HB2 ASN 57 1HB ASN 57 -5.626 4.725 6.413 421 HB3 ASN 57 2HB ASN 57 -4.337 4.180 7.467 422 HD21 ASN 57 1HD2 ASN 57 -7.415 4.662 7.553 423 HD22 ASN 57 2HD2 ASN 57 -7.684 5.372 9.110 424 H MET 58 H MET 58 -1.603 5.632 7.278 425 HA MET 58 HA MET 58 -1.017 4.986 4.507 426 HB2 MET 58 1HB MET 58 0.357 6.714 5.826 427 HB3 MET 58 2HB MET 58 0.888 5.414 6.875 428 HG2 MET 58 1HG MET 58 2.637 5.349 5.356 429 HG3 MET 58 2HG MET 58 1.542 4.266 4.519 430 HE1 MET 58 1HE MET 58 2.477 7.794 5.218 431 HE2 MET 58 2HE MET 58 3.636 7.609 3.880 432 HE3 MET 58 3HE MET 58 2.241 8.701 3.705 433 H ASN 59 H ASN 59 -1.416 2.835 4.100 434 HA ASN 59 HA ASN 59 -1.053 0.924 6.167 435 HB2 ASN 59 1HB ASN 59 -2.845 0.625 4.493 436 HB3 ASN 59 2HB ASN 59 -1.682 0.662 3.182 437 HD21 ASN 59 1HD2 ASN 59 -3.641 -1.342 4.535 438 HD22 ASN 59 2HD2 ASN 59 -2.749 -2.826 4.596 439 H VAL 60 H VAL 60 0.690 -0.589 6.339 440 HA VAL 60 HA VAL 60 2.727 -0.477 4.243 441 HB VAL 60 HB VAL 60 3.160 -0.109 7.212 442 HG11 VAL 60 1HG1 VAL 60 4.809 -1.557 5.547 443 HG12 VAL 60 2HG1 VAL 60 5.510 0.077 5.452 444 HG13 VAL 60 3HG1 VAL 60 5.317 -0.719 7.033 445 HG21 VAL 60 1HG2 VAL 60 4.485 1.797 5.489 446 HG22 VAL 60 2HG2 VAL 60 2.742 1.751 5.133 447 HG23 VAL 60 3HG2 VAL 60 3.304 2.077 6.790 448 H ALA 61 H ALA 61 2.902 -2.510 3.467 449 HA ALA 61 HA ALA 61 3.508 -4.667 5.158 450 HB1 ALA 61 1HB ALA 61 1.534 -5.773 5.444 451 HB2 ALA 61 2HB ALA 61 0.837 -4.144 5.275 452 HB3 ALA 61 3HB ALA 61 0.887 -5.241 3.874 453 H ASP 62 H ASP 62 3.470 -6.797 3.781 454 HA ASP 62 HA ASP 62 4.489 -7.742 2.087 455 HB2 ASP 62 1HB ASP 62 1.935 -7.153 1.400 456 HB3 ASP 62 2HB ASP 62 2.746 -6.239 0.143 457 H ALA 63 H ALA 63 5.799 -5.275 2.862 458 HA ALA 63 HA ALA 63 7.187 -3.691 2.163 459 HB1 ALA 63 1HB ALA 63 8.884 -4.649 1.017 460 HB2 ALA 63 2HB ALA 63 7.855 -6.101 0.958 461 HB3 ALA 63 3HB ALA 63 7.860 -4.957 -0.406 462 H THR 64 H THR 64 4.651 -2.857 1.740 463 HA THR 64 HA THR 64 4.943 -1.321 -0.714 464 HB THR 64 HB THR 64 2.550 -3.123 -0.069 465 HG1 THR 64 1HG THR 64 4.592 -2.867 -2.161 466 HG21 THR 64 1HG2 THR 64 1.929 -0.875 -1.136 467 HG22 THR 64 2HG2 THR 64 3.009 -1.301 -2.485 468 HG23 THR 64 3HG2 THR 64 1.571 -2.295 -2.148 469 H VAL 65 H VAL 65 3.637 0.617 -0.753 470 HA VAL 65 HA VAL 65 2.697 1.328 1.940 471 HB VAL 65 HB VAL 65 4.497 2.733 0.017 472 HG11 VAL 65 1HG1 VAL 65 2.551 4.111 1.890 473 HG12 VAL 65 2HG1 VAL 65 4.012 4.891 1.238 474 HG13 VAL 65 3HG1 VAL 65 2.730 4.339 0.133 475 HG21 VAL 65 1HG2 VAL 65 5.922 2.336 1.686 476 HG22 VAL 65 2HG2 VAL 65 4.982 3.450 2.707 477 HG23 VAL 65 3HG2 VAL 65 4.610 1.709 2.713 478 H THR 66 H THR 66 0.497 1.171 1.751 479 HA THR 66 HA THR 66 -0.699 2.467 -0.610 480 HB THR 66 HB THR 66 -1.769 0.240 1.205 481 HG1 THR 66 1HG THR 66 0.015 -0.371 -0.219 482 HG21 THR 66 1HG2 THR 66 -2.825 0.608 -1.546 483 HG22 THR 66 2HG2 THR 66 -3.708 0.287 -0.034 484 HG23 THR 66 3HG2 THR 66 -3.231 1.951 -0.450 485 H VAL 67 H VAL 67 -1.945 4.227 -0.356 486 HA VAL 67 HA VAL 67 -2.296 5.152 2.379 487 HB VAL 67 HB VAL 67 -2.738 6.513 -0.286 488 HG11 VAL 67 1HG1 VAL 67 -2.379 8.526 1.493 489 HG12 VAL 67 2HG1 VAL 67 -3.974 7.893 1.020 490 HG13 VAL 67 3HG1 VAL 67 -3.207 7.336 2.526 491 HG21 VAL 67 1HG2 VAL 67 -0.561 7.593 1.256 492 HG22 VAL 67 2HG2 VAL 67 -0.323 5.842 1.039 493 HG23 VAL 67 3HG2 VAL 67 -0.543 6.893 -0.380 494 H ILE 68 H ILE 68 -4.064 4.279 3.366 495 HA ILE 68 HA ILE 68 -6.483 3.994 1.746 496 HB ILE 68 HB ILE 68 -5.761 2.846 4.445 497 HG12 ILE 68 1HG1 ILE 68 -5.662 1.704 1.649 498 HG13 ILE 68 2HG1 ILE 68 -4.368 1.809 2.826 499 HG21 ILE 68 1HG2 ILE 68 -7.764 1.413 4.075 500 HG22 ILE 68 2HG2 ILE 68 -8.141 3.137 4.310 501 HG23 ILE 68 3HG2 ILE 68 -8.184 2.431 2.676 502 HD11 ILE 68 1HD1 ILE 68 -4.972 -0.403 3.153 503 HD12 ILE 68 2HD1 ILE 68 -6.092 0.357 4.308 504 HD13 ILE 68 3HD1 ILE 68 -6.668 -0.117 2.692 505 H SER 69 H SER 69 -8.542 4.772 2.596 506 HA SER 69 HA SER 69 -8.268 7.360 3.613 507 HB2 SER 69 1HB SER 69 -10.130 7.024 2.206 508 HB3 SER 69 2HB SER 69 -10.589 5.526 2.993 509 HG SER 69 HG SER 69 -11.818 6.620 4.360 510 H GLU 70 H GLU 70 -9.863 8.022 5.579 511 HA GLU 70 HA GLU 70 -8.797 6.614 7.811 512 HB2 GLU 70 1HB GLU 70 -8.849 8.880 8.278 513 HB3 GLU 70 2HB GLU 70 -10.308 9.157 7.348 514 HG2 GLU 70 1HG GLU 70 -11.687 8.116 9.110 515 HG3 GLU 70 2HG GLU 70 -10.254 7.671 10.016 516 H LYS 71 H LYS 71 -12.010 7.100 6.254 517 HA LYS 71 HA LYS 71 -13.330 5.528 8.265 518 HB2 LYS 71 1HB LYS 71 -14.134 7.067 5.830 519 HB3 LYS 71 2HB LYS 71 -15.205 5.799 6.391 520 HG2 LYS 71 1HG LYS 71 -16.006 7.564 7.673 521 HG3 LYS 71 2HG LYS 71 -14.799 6.936 8.777 522 HD2 LYS 71 1HD LYS 71 -13.684 8.907 8.718 523 HD3 LYS 71 2HD LYS 71 -13.456 8.748 6.987 524 HE2 LYS 71 1HE LYS 71 -16.110 9.723 8.102 525 HE3 LYS 71 2HE LYS 71 -14.768 10.834 7.913 526 HZ1 LYS 71 1HZ LYS 71 -16.259 9.420 5.865 527 HZ2 LYS 71 2HZ LYS 71 -15.765 10.976 5.899 528 HZ3 LYS 71 3HZ LYS 71 -14.697 9.787 5.561 529 H ASN 72 H ASN 72 -13.742 5.060 4.733 530 HA ASN 72 HA ASN 72 -14.128 2.399 4.886 531 HB2 ASN 72 1HB ASN 72 -12.896 4.099 2.666 532 HB3 ASN 72 2HB ASN 72 -13.263 2.403 2.425 533 HD21 ASN 72 1HD2 ASN 72 -14.373 5.427 1.975 534 HD22 ASN 72 2HD2 ASN 72 -16.085 5.173 1.926 535 H GLU 73 H GLU 73 -12.710 0.517 4.429 536 HA GLU 73 HA GLU 73 -9.932 1.113 5.080 537 HB2 GLU 73 1HB GLU 73 -11.593 -1.400 5.549 538 HB3 GLU 73 2HB GLU 73 -9.866 -1.316 5.835 539 HG2 GLU 73 1HG GLU 73 -10.399 -0.598 7.930 540 HG3 GLU 73 2HG GLU 73 -10.775 0.942 7.183 541 H GLU 74 H GLU 74 -12.120 -0.033 2.646 542 HA GLU 74 HA GLU 74 -10.043 -1.521 1.305 543 HB2 GLU 74 1HB GLU 74 -11.804 -2.191 -0.259 544 HB3 GLU 74 2HB GLU 74 -12.359 -2.430 1.386 545 HG2 GLU 74 1HG GLU 74 -13.199 0.154 0.962 546 HG3 GLU 74 2HG GLU 74 -13.299 -0.475 -0.671 547 H GLU 75 H GLU 75 -11.346 1.678 1.466 548 HA GLU 75 HA GLU 75 -10.888 2.365 -1.233 549 HB2 GLU 75 1HB GLU 75 -12.265 3.506 0.854 550 HB3 GLU 75 2HB GLU 75 -10.839 4.523 0.821 551 HG2 GLU 75 1HG GLU 75 -11.191 5.012 -1.577 552 HG3 GLU 75 2HG GLU 75 -12.545 3.900 -1.636 553 H VAL 76 H VAL 76 -8.839 2.231 -2.072 554 HA VAL 76 HA VAL 76 -6.641 3.142 -0.361 555 HB VAL 76 HB VAL 76 -6.051 1.047 -1.004 556 HG11 VAL 76 1HG1 VAL 76 -6.561 0.142 -3.357 557 HG12 VAL 76 2HG1 VAL 76 -7.928 0.334 -2.233 558 HG13 VAL 76 3HG1 VAL 76 -7.657 1.536 -3.518 559 HG21 VAL 76 1HG2 VAL 76 -4.366 1.139 -2.703 560 HG22 VAL 76 2HG2 VAL 76 -5.160 2.517 -3.503 561 HG23 VAL 76 3HG2 VAL 76 -4.403 2.730 -1.906 562 H LEU 77 H LEU 77 -6.575 5.360 -0.602 563 HA LEU 77 HA LEU 77 -7.214 6.707 -2.945 564 HB2 LEU 77 1HB LEU 77 -5.422 7.498 -0.645 565 HB3 LEU 77 2HB LEU 77 -5.981 8.592 -1.895 566 HG LEU 77 HG LEU 77 -8.116 7.094 -0.494 567 HD11 LEU 77 1HD1 LEU 77 -6.057 8.352 1.046 568 HD12 LEU 77 2HD1 LEU 77 -7.558 9.297 1.201 569 HD13 LEU 77 3HD1 LEU 77 -7.554 7.562 1.598 570 HD21 LEU 77 1HD2 LEU 77 -9.175 9.348 -0.519 571 HD22 LEU 77 2HD2 LEU 77 -7.713 9.982 -1.311 572 HD23 LEU 77 3HD2 LEU 77 -8.705 8.751 -2.129 573 H VAL 78 H VAL 78 -3.987 5.692 -1.631 574 HA VAL 78 HA VAL 78 -3.031 5.716 -4.398 575 HB VAL 78 HB VAL 78 -1.922 7.164 -2.022 576 HG11 VAL 78 1HG1 VAL 78 -0.088 5.717 -2.622 577 HG12 VAL 78 2HG1 VAL 78 -0.296 6.091 -4.349 578 HG13 VAL 78 3HG1 VAL 78 0.262 7.354 -3.225 579 HG21 VAL 78 1HG2 VAL 78 -2.338 8.978 -3.258 580 HG22 VAL 78 2HG2 VAL 78 -1.444 8.311 -4.645 581 HG23 VAL 78 3HG2 VAL 78 -3.166 7.917 -4.423 582 H GLU 79 H GLU 79 -1.370 4.156 -4.834 583 HA GLU 79 HA GLU 79 -0.865 2.339 -2.623 584 HB2 GLU 79 1HB GLU 79 -2.726 1.403 -3.983 585 HB3 GLU 79 2HB GLU 79 -1.733 1.497 -5.424 586 HG2 GLU 79 1HG GLU 79 -0.027 0.082 -3.859 587 HG3 GLU 79 2HG GLU 79 -1.531 -0.394 -3.094 588 H CYS 80 H CYS 80 1.307 2.886 -2.369 589 HA CYS 80 HA CYS 80 2.934 2.823 -4.794 590 HB2 CYS 80 1HB CYS 80 2.865 4.669 -2.706 591 HB3 CYS 80 2HB CYS 80 4.288 3.708 -2.354 592 HG CYS 80 HG CYS 80 3.771 5.960 -4.467 593 H ARG 81 H ARG 81 4.920 1.524 -4.760 594 HA ARG 81 HA ARG 81 4.835 -0.516 -2.683 595 HB2 ARG 81 1HB ARG 81 5.443 -0.795 -5.664 596 HB3 ARG 81 2HB ARG 81 5.839 -2.051 -4.508 597 HG2 ARG 81 1HG ARG 81 3.563 -2.496 -4.003 598 HG3 ARG 81 2HG ARG 81 3.024 -0.931 -4.580 599 HD2 ARG 81 1HD ARG 81 3.710 -1.649 -6.936 600 HD3 ARG 81 2HD ARG 81 4.031 -3.249 -6.297 601 HE ARG 81 HE ARG 81 1.406 -2.065 -6.785 602 HH11 ARG 81 2HH2 ARG 81 3.151 -4.457 -4.884 603 HH12 ARG 81 1HH2 ARG 81 1.749 -5.429 -4.583 604 HH21 ARG 81 2HH1 ARG 81 -0.445 -3.347 -6.388 605 HH22 ARG 81 1HH1 ARG 81 -0.310 -4.793 -5.445 606 H VAL 82 H VAL 82 6.811 -0.977 -1.660 607 HA VAL 82 HA VAL 82 8.879 0.873 -1.881 608 HB VAL 82 HB VAL 82 10.007 -0.474 -0.298 609 HG11 VAL 82 1HG1 VAL 82 8.484 0.084 1.230 610 HG12 VAL 82 2HG1 VAL 82 7.230 0.154 -0.031 611 HG13 VAL 82 3HG1 VAL 82 7.543 -1.373 0.829 612 HG21 VAL 82 1HG2 VAL 82 8.674 -2.848 0.091 613 HG22 VAL 82 2HG2 VAL 82 8.651 -2.690 -1.682 614 HG23 VAL 82 3HG2 VAL 82 10.200 -2.657 -0.806 615 H ARG 83 H ARG 83 8.007 -1.796 -3.892 616 HA ARG 83 HA ARG 83 10.677 -2.319 -4.730 617 HB2 ARG 83 1HB ARG 83 9.664 -3.938 -6.250 618 HB3 ARG 83 2HB ARG 83 8.838 -4.062 -4.710 619 HG2 ARG 83 1HG ARG 83 6.880 -3.711 -5.796 620 HG3 ARG 83 2HG ARG 83 7.402 -2.069 -6.114 621 HD2 ARG 83 1HD ARG 83 7.970 -2.522 -8.311 622 HD3 ARG 83 2HD ARG 83 8.560 -4.131 -7.943 623 HE ARG 83 HE ARG 83 5.807 -3.395 -8.654 624 HH11 ARG 83 2HH2 ARG 83 7.865 -5.830 -7.165 625 HH12 ARG 83 1HH2 ARG 83 6.730 -7.117 -7.402 626 HH21 ARG 83 2HH1 ARG 83 4.310 -5.092 -8.968 627 HH22 ARG 83 1HH1 ARG 83 4.695 -6.695 -8.435 628 H PHE 84 H PHE 84 8.098 -0.093 -5.498 629 HA PHE 84 HA PHE 84 9.325 0.505 -8.089 630 HB2 PHE 84 1HB PHE 84 6.610 0.639 -6.800 631 HB3 PHE 84 2HB PHE 84 6.991 2.019 -7.811 632 HD1 PHE 84 1HD PHE 84 8.518 0.804 -10.001 633 HD2 PHE 84 2HD PHE 84 5.062 -0.612 -7.986 634 HE1 PHE 84 1HE PHE 84 7.867 -0.509 -12.039 635 HE2 PHE 84 2HE PHE 84 4.411 -1.925 -10.024 636 HZ PHE 84 HZ PHE 84 5.822 -1.857 -12.026 637 H LEU 85 H LEU 85 9.272 1.488 -4.821 638 HA LEU 85 HA LEU 85 9.215 4.274 -5.109 639 HB2 LEU 85 1HB LEU 85 9.515 2.350 -3.048 640 HB3 LEU 85 2HB LEU 85 10.868 3.456 -2.920 641 HG LEU 85 HG LEU 85 8.154 4.652 -3.252 642 HD11 LEU 85 1HD1 LEU 85 7.986 4.521 -0.663 643 HD12 LEU 85 2HD1 LEU 85 7.454 3.136 -1.647 644 HD13 LEU 85 3HD1 LEU 85 9.038 3.096 -0.837 645 HD21 LEU 85 1HD2 LEU 85 9.245 6.496 -2.684 646 HD22 LEU 85 2HD2 LEU 85 9.768 5.759 -1.150 647 HD23 LEU 85 3HD2 LEU 85 10.754 5.555 -2.618 648 H SER 86 H SER 86 11.184 5.714 -4.605 649 HA SER 86 HA SER 86 13.513 4.600 -5.955 650 HB2 SER 86 1HB SER 86 11.896 6.397 -7.181 651 HB3 SER 86 2HB SER 86 12.905 7.520 -6.293 652 HG SER 86 HG SER 86 13.902 5.433 -8.041 653 H PHE 87 H PHE 87 12.130 7.106 -3.753 654 HA PHE 87 HA PHE 87 14.176 6.757 -1.872 655 HB2 PHE 87 1HB PHE 87 15.371 8.055 -3.739 656 HB3 PHE 87 2HB PHE 87 14.185 9.332 -3.558 657 HD1 PHE 87 2HD PHE 87 17.088 7.700 -2.040 658 HD2 PHE 87 1HD PHE 87 14.250 10.831 -1.652 659 HE1 PHE 87 2HE PHE 87 18.512 8.772 -0.274 660 HE2 PHE 87 1HE PHE 87 15.675 11.903 0.114 661 HZ PHE 87 HZ PHE 87 17.789 10.861 0.782 662 H MET 88 H MET 88 14.066 8.678 -0.172 663 HA MET 88 HA MET 88 11.753 10.250 -0.200 664 HB2 MET 88 1HB MET 88 10.421 9.089 1.499 665 HB3 MET 88 2HB MET 88 10.767 7.929 0.232 666 HG2 MET 88 1HG MET 88 12.648 6.995 1.561 667 HG3 MET 88 2HG MET 88 12.393 8.198 2.808 668 HE1 MET 88 1HE MET 88 11.250 5.469 0.772 669 HE2 MET 88 2HE MET 88 10.976 4.306 2.091 670 HE3 MET 88 3HE MET 88 9.591 5.074 1.280 671 H GLY 89 H GLY 89 11.356 10.288 2.716 672 HA2 GLY 89 1HA GLY 89 13.280 10.362 4.474 673 HA3 GLY 89 2HA GLY 89 13.854 11.650 3.434 674 H VAL 90 H VAL 90 13.194 12.194 6.102 675 HA VAL 90 HA VAL 90 10.495 13.226 6.143 676 HB VAL 90 HB VAL 90 12.766 13.249 8.139 677 HG11 VAL 90 1HG1 VAL 90 10.618 15.012 8.075 678 HG12 VAL 90 2HG1 VAL 90 10.083 13.737 9.196 679 HG13 VAL 90 3HG1 VAL 90 11.608 14.605 9.497 680 HG21 VAL 90 1HG2 VAL 90 12.121 11.076 8.254 681 HG22 VAL 90 2HG2 VAL 90 10.818 11.747 9.264 682 HG23 VAL 90 3HG2 VAL 90 10.521 11.397 7.544 683 H GLY 91 H GLY 91 9.924 15.247 5.523 684 HA2 GLY 91 1HA GLY 91 11.658 16.996 4.263 685 HA3 GLY 91 2HA GLY 91 10.084 17.404 4.917 686 H LYS 92 H LYS 92 11.516 19.512 5.175 687 HA LYS 92 HA LYS 92 13.527 19.795 6.950 688 HB2 LYS 92 1HB LYS 92 11.257 21.535 6.085 689 HB3 LYS 92 2HB LYS 92 12.213 22.066 7.454 690 HG2 LYS 92 1HG LYS 92 14.302 21.599 5.993 691 HG3 LYS 92 2HG LYS 92 13.199 21.437 4.640 692 HD2 LYS 92 1HD LYS 92 12.375 23.730 4.958 693 HD3 LYS 92 2HD LYS 92 13.293 23.901 6.441 694 HE2 LYS 92 1HE LYS 92 15.424 23.581 5.123 695 HE3 LYS 92 2HE LYS 92 14.476 23.498 3.651 696 HZ1 LYS 92 1HZ LYS 92 14.371 25.682 3.620 697 HZ2 LYS 92 2HZ LYS 92 13.754 25.766 5.130 698 HZ3 LYS 92 3HZ LYS 92 15.372 25.756 4.908 699 H ASP 93 H ASP 93 9.986 19.752 7.740 700 HA ASP 93 HA ASP 93 10.591 19.817 10.516 701 HB2 ASP 93 1HB ASP 93 8.263 20.097 8.797 702 HB3 ASP 93 2HB ASP 93 7.899 18.933 10.056 703 H VAL 94 H VAL 94 9.681 18.019 12.008 704 HA VAL 94 HA VAL 94 10.463 15.460 10.919 705 HB VAL 94 HB VAL 94 10.339 14.718 13.222 706 HG11 VAL 94 1HG1 VAL 94 12.000 16.860 12.260 707 HG12 VAL 94 2HG1 VAL 94 11.722 17.068 14.006 708 HG13 VAL 94 3HG1 VAL 94 12.403 15.544 13.388 709 HG21 VAL 94 1HG2 VAL 94 9.907 16.850 14.857 710 HG22 VAL 94 2HG2 VAL 94 8.749 17.194 13.549 711 HG23 VAL 94 3HG2 VAL 94 8.667 15.648 14.427 712 H HIS 95 H HIS 95 7.612 17.337 11.190 713 HA HIS 95 HA HIS 95 5.933 14.967 11.384 714 HB2 HIS 95 1HB HIS 95 4.672 17.622 11.095 715 HB3 HIS 95 2HB HIS 95 4.290 16.300 12.180 716 HD1 HIS 95 1HD HIS 95 6.984 19.007 11.818 717 HD2 HIS 95 2HD HIS 95 5.037 16.755 14.773 718 HE1 HIS 95 1HE HIS 95 7.815 19.899 14.060 719 H THR 96 H THR 96 7.741 15.794 9.037 720 HA THR 96 HA THR 96 5.599 15.749 7.017 721 HB THR 96 HB THR 96 7.435 17.067 5.645 722 HG1 THR 96 1HG THR 96 8.597 18.393 7.432 723 HG21 THR 96 1HG2 THR 96 6.494 19.143 6.276 724 HG22 THR 96 2HG2 THR 96 5.228 18.010 6.807 725 HG23 THR 96 3HG2 THR 96 6.379 18.676 7.990 726 H PHE 97 H PHE 97 5.755 14.236 5.429 727 HA PHE 97 HA PHE 97 8.284 12.837 5.153 728 HB2 PHE 97 1HB PHE 97 6.986 11.595 6.889 729 HB3 PHE 97 2HB PHE 97 5.548 11.641 5.890 730 HD1 PHE 97 2HD PHE 97 9.094 10.489 5.596 731 HD2 PHE 97 1HD PHE 97 5.004 9.698 4.790 732 HE1 PHE 97 2HE PHE 97 9.720 8.275 4.592 733 HE2 PHE 97 1HE PHE 97 5.629 7.484 3.787 734 HZ PHE 97 HZ PHE 97 7.980 6.799 3.700 735 H ALA 98 H ALA 98 8.672 12.218 3.046 736 HA ALA 98 HA ALA 98 6.440 11.884 1.244 737 HB1 ALA 98 1HB ALA 98 8.546 14.019 0.719 738 HB2 ALA 98 2HB ALA 98 7.149 13.611 -0.306 739 HB3 ALA 98 3HB ALA 98 6.894 14.358 1.289 740 H PHE 99 H PHE 99 7.145 10.914 -0.823 741 HA PHE 99 HA PHE 99 9.907 10.041 -0.890 742 HB2 PHE 99 1HB PHE 99 9.156 7.654 -1.055 743 HB3 PHE 99 2HB PHE 99 8.633 8.342 0.470 744 HD1 PHE 99 1HD PHE 99 7.393 7.855 -3.018 745 HD2 PHE 99 2HD PHE 99 6.431 8.059 1.111 746 HE1 PHE 99 1HE PHE 99 5.024 7.207 -3.537 747 HE2 PHE 99 2HE PHE 99 4.063 7.411 0.591 748 HZ PHE 99 HZ PHE 99 3.387 6.993 -1.727 749 H ILE 100 H ILE 100 10.579 9.314 -2.997 750 HA ILE 100 HA ILE 100 8.796 10.282 -5.081 751 HB ILE 100 HB ILE 100 11.698 9.459 -5.212 752 HG12 ILE 100 1HG1 ILE 100 10.489 12.225 -4.920 753 HG13 ILE 100 2HG1 ILE 100 11.340 11.347 -3.665 754 HG21 ILE 100 1HG2 ILE 100 11.584 9.744 -7.408 755 HG22 ILE 100 2HG2 ILE 100 9.817 9.905 -7.261 756 HG23 ILE 100 3HG2 ILE 100 10.850 11.353 -7.208 757 HD11 ILE 100 1HD1 ILE 100 12.499 12.256 -6.338 758 HD12 ILE 100 2HD1 ILE 100 12.894 12.903 -4.728 759 HD13 ILE 100 3HD1 ILE 100 13.370 11.243 -5.161 760 H MET 101 H MET 101 7.659 8.956 -6.406 761 HA MET 101 HA MET 101 8.388 6.132 -6.272 762 HB2 MET 101 1HB MET 101 6.032 5.609 -6.437 763 HB3 MET 101 2HB MET 101 6.121 6.924 -5.282 764 HG2 MET 101 1HG MET 101 5.631 8.554 -7.158 765 HG3 MET 101 2HG MET 101 5.448 7.198 -8.252 766 HE1 MET 101 1HE MET 101 3.042 5.655 -8.285 767 HE2 MET 101 2HE MET 101 4.261 5.045 -7.140 768 HE3 MET 101 3HE MET 101 2.560 5.187 -6.637 769 H ASP 102 H ASP 102 7.645 4.854 -8.296 770 HA ASP 102 HA ASP 102 8.013 6.569 -10.626 771 HB2 ASP 102 1HB ASP 102 10.020 5.347 -10.574 772 HB3 ASP 102 2HB ASP 102 9.268 3.940 -9.848 773 H THR 103 H THR 103 6.235 6.436 -12.007 774 HA THR 103 HA THR 103 4.508 4.068 -11.734 775 HB THR 103 HB THR 103 2.697 5.583 -12.413 776 HG1 THR 103 1HG THR 103 3.287 7.495 -13.420 777 HG21 THR 103 1HG2 THR 103 4.435 6.236 -10.137 778 HG22 THR 103 2HG2 THR 103 3.675 7.702 -10.802 779 HG23 THR 103 3HG2 THR 103 2.662 6.344 -10.255 780 H GLY 104 H GLY 104 6.979 5.247 -13.618 781 HA2 GLY 104 1HA GLY 104 7.402 3.689 -15.509 782 HA3 GLY 104 2HA GLY 104 5.795 4.098 -16.074 783 H ASN 105 H ASN 105 8.205 4.503 -17.606 784 HA ASN 105 HA ASN 105 9.132 5.987 -18.885 785 HB2 ASN 105 1HB ASN 105 6.738 7.572 -17.912 786 HB3 ASN 105 2HB ASN 105 7.972 8.418 -18.824 787 HD21 ASN 105 1HD2 ASN 105 5.262 7.943 -19.580 788 HD22 ASN 105 2HD2 ASN 105 5.250 7.012 -21.041 789 H GLN 106 H GLN 106 9.898 8.644 -18.711 790 HA GLN 106 HA GLN 106 11.562 8.585 -16.396 791 HB2 GLN 106 1HB GLN 106 11.346 10.384 -18.828 792 HB3 GLN 106 2HB GLN 106 12.364 10.836 -17.476 793 HG2 GLN 106 1HG GLN 106 13.975 9.353 -18.083 794 HG3 GLN 106 2HG GLN 106 12.821 8.037 -18.169 795 HE21 GLN 106 1HE2 GLN 106 14.662 10.356 -19.880 796 HE22 GLN 106 2HE2 GLN 106 14.191 9.951 -21.497 797 H ARG 107 H ARG 107 9.031 8.707 -15.407 798 HA ARG 107 HA ARG 107 8.866 11.489 -14.575 799 HB2 ARG 107 1HB ARG 107 6.826 9.839 -15.868 800 HB3 ARG 107 2HB ARG 107 6.272 10.328 -14.278 801 HG2 ARG 107 1HG ARG 107 7.565 12.434 -16.001 802 HG3 ARG 107 2HG ARG 107 5.959 11.898 -16.454 803 HD2 ARG 107 1HD ARG 107 5.511 12.246 -13.804 804 HD3 ARG 107 2HD ARG 107 6.844 13.371 -13.979 805 HE ARG 107 HE ARG 107 4.152 13.739 -14.975 806 HH11 ARG 107 2HH2 ARG 107 7.516 14.455 -15.719 807 HH12 ARG 107 1HH2 ARG 107 7.142 15.868 -16.649 808 HH21 ARG 107 2HH1 ARG 107 3.659 15.603 -16.201 809 HH22 ARG 107 1HH1 ARG 107 4.934 16.525 -16.925 810 H PHE 108 H PHE 108 8.415 11.817 -12.322 811 HA PHE 108 HA PHE 108 8.043 9.394 -10.734 812 HB2 PHE 108 1HB PHE 108 10.029 11.661 -10.132 813 HB3 PHE 108 2HB PHE 108 9.889 10.149 -9.256 814 HD1 PHE 108 1HD PHE 108 10.243 7.987 -10.777 815 HD2 PHE 108 2HD PHE 108 11.731 11.858 -11.674 816 HE1 PHE 108 1HE PHE 108 12.000 6.969 -12.252 817 HE2 PHE 108 2HE PHE 108 13.489 10.841 -13.149 818 HZ PHE 108 HZ PHE 108 13.602 8.409 -13.421 819 H GLU 109 H GLU 109 6.620 9.662 -9.043 820 HA GLU 109 HA GLU 109 5.679 12.391 -8.674 821 HB2 GLU 109 1HB GLU 109 4.294 9.741 -8.069 822 HB3 GLU 109 2HB GLU 109 3.594 11.323 -7.789 823 HG2 GLU 109 1HG GLU 109 3.898 11.829 -10.263 824 HG3 GLU 109 2HG GLU 109 4.437 10.177 -10.492 825 H CYS 110 H CYS 110 5.654 13.342 -6.616 826 HA CYS 110 HA CYS 110 6.885 11.701 -4.523 827 HB2 CYS 110 1HB CYS 110 8.360 13.515 -5.267 828 HB3 CYS 110 2HB CYS 110 7.104 14.698 -4.962 829 HG CYS 110 HG CYS 110 6.783 13.870 -2.380 830 H HIS 111 H HIS 111 5.292 11.074 -3.101 831 HA HIS 111 HA HIS 111 2.981 12.796 -2.802 832 HB2 HIS 111 1HB HIS 111 3.597 9.973 -1.904 833 HB3 HIS 111 2HB HIS 111 2.143 10.828 -1.428 834 HD1 HIS 111 1HD HIS 111 0.196 10.790 -3.041 835 HD2 HIS 111 2HD HIS 111 3.793 9.560 -4.815 836 HE1 HIS 111 1HE HIS 111 -0.411 9.926 -5.364 837 H VAL 112 H VAL 112 2.874 14.292 -1.211 838 HA VAL 112 HA VAL 112 4.781 14.045 0.982 839 HB VAL 112 HB VAL 112 3.077 16.312 -0.059 840 HG11 VAL 112 1HG1 VAL 112 3.179 16.575 2.331 841 HG12 VAL 112 2HG1 VAL 112 4.924 16.228 2.347 842 HG13 VAL 112 3HG1 VAL 112 4.321 17.726 1.598 843 HG21 VAL 112 1HG2 VAL 112 6.041 15.700 -0.138 844 HG22 VAL 112 2HG2 VAL 112 4.929 15.969 -1.501 845 HG23 VAL 112 3HG2 VAL 112 5.384 17.326 -0.442 846 H PHE 113 H PHE 113 4.145 13.998 3.170 847 HA PHE 113 HA PHE 113 1.294 13.962 3.710 848 HB2 PHE 113 1HB PHE 113 3.298 11.721 4.376 849 HB3 PHE 113 2HB PHE 113 1.637 11.751 4.933 850 HD1 PHE 113 2HD PHE 113 -0.204 11.758 3.126 851 HD2 PHE 113 1HD PHE 113 3.833 10.713 2.340 852 HE1 PHE 113 2HE PHE 113 -0.923 10.544 1.050 853 HE2 PHE 113 1HE PHE 113 3.114 9.499 0.264 854 HZ PHE 113 HZ PHE 113 0.745 9.429 -0.357 855 H TRP 114 H TRP 114 0.923 13.739 6.182 856 HA TRP 114 HA TRP 114 3.163 15.040 7.578 857 HB2 TRP 114 1HB TRP 114 1.389 16.644 7.081 858 HB3 TRP 114 2HB TRP 114 0.206 15.610 7.858 859 HD1 TRP 114 HD TRP 114 0.652 15.246 10.648 860 HE1 TRP 114 1HE TRP 114 1.503 16.926 12.497 861 HE3 TRP 114 3HE TRP 114 2.823 18.522 7.421 862 HZ2 TRP 114 2HZ TRP 114 2.956 19.380 12.405 863 HZ3 TRP 114 3HZ TRP 114 3.937 20.534 8.383 864 HH2 TRP 114 HH TRP 114 4.024 20.988 10.783 865 H CYS 115 H CYS 115 3.955 13.676 9.118 866 HA CYS 115 HA CYS 115 2.063 11.748 10.251 867 HB2 CYS 115 1HB CYS 115 5.069 11.420 10.248 868 HB3 CYS 115 2HB CYS 115 3.842 10.206 10.549 869 HG CYS 115 HG CYS 115 4.482 11.877 7.762 870 H GLU 116 H GLU 116 1.906 11.644 12.535 871 HA GLU 116 HA GLU 116 3.570 13.583 13.942 872 HB2 GLU 116 1HB GLU 116 0.669 12.936 14.615 873 HB3 GLU 116 2HB GLU 116 1.668 14.170 15.357 874 HG2 GLU 116 1HG GLU 116 0.855 15.616 13.806 875 HG3 GLU 116 2HG GLU 116 1.841 14.778 12.624 876 HA PRO 117 HA PRO 117 3.784 14.097 15.871 877 HB2 PRO 117 1HB PRO 117 5.987 14.022 17.487 878 HB3 PRO 117 2HB PRO 117 4.348 14.080 18.103 879 HG2 PRO 117 1HG PRO 117 6.210 11.787 18.004 880 HG3 PRO 117 2HG PRO 117 4.765 11.986 18.975 881 HD2 PRO 117 1HD PRO 117 5.033 10.394 16.604 882 HD3 PRO 117 2HD PRO 117 3.562 10.687 17.509 883 H ASN 118 H ASN 118 6.338 11.749 15.318 884 HA ASN 118 HA ASN 118 7.386 13.666 13.386 885 HB2 ASN 118 1HB ASN 118 9.560 12.170 13.752 886 HB3 ASN 118 2HB ASN 118 9.176 13.438 14.898 887 HD21 ASN 118 1HD2 ASN 118 10.564 12.086 16.264 888 HD22 ASN 118 2HD2 ASN 118 9.857 10.803 17.188 889 H ALA 119 H ALA 119 8.401 12.586 11.416 890 HA ALA 119 HA ALA 119 6.841 10.250 10.684 891 HB1 ALA 119 1HB ALA 119 6.787 11.953 9.049 892 HB2 ALA 119 2HB ALA 119 8.527 12.291 9.213 893 HB3 ALA 119 3HB ALA 119 7.982 10.794 8.419 894 H ALA 120 H ALA 120 8.792 9.805 12.738 895 HA ALA 120 HA ALA 120 11.112 8.687 11.439 896 HB1 ALA 120 1HB ALA 120 10.521 9.741 13.959 897 HB2 ALA 120 2HB ALA 120 10.682 7.993 14.251 898 HB3 ALA 120 3HB ALA 120 12.016 8.895 13.494 899 H ASN 121 H ASN 121 8.354 7.456 13.469 900 HA ASN 121 HA ASN 121 8.964 4.806 13.163 901 HB2 ASN 121 1HB ASN 121 6.251 6.190 13.486 902 HB3 ASN 121 2HB ASN 121 6.465 4.458 13.643 903 HD21 ASN 121 1HD2 ASN 121 7.029 7.584 15.025 904 HD22 ASN 121 2HD2 ASN 121 7.589 7.082 16.586 905 H VAL 122 H VAL 122 6.715 6.965 11.284 906 HA VAL 122 HA VAL 122 5.807 5.040 9.499 907 HB VAL 122 HB VAL 122 6.092 8.036 9.391 908 HG11 VAL 122 1HG1 VAL 122 5.407 6.161 7.205 909 HG12 VAL 122 2HG1 VAL 122 4.267 7.509 7.438 910 HG13 VAL 122 3HG1 VAL 122 5.991 7.842 7.140 911 HG21 VAL 122 1HG2 VAL 122 3.868 6.088 9.975 912 HG22 VAL 122 2HG2 VAL 122 4.419 7.493 10.919 913 HG23 VAL 122 3HG2 VAL 122 3.506 7.737 9.410 914 H SER 123 H SER 123 8.201 7.673 8.749 915 HA SER 123 HA SER 123 9.066 6.695 6.413 916 HB2 SER 123 1HB SER 123 9.746 8.865 7.479 917 HB3 SER 123 2HB SER 123 10.823 7.987 8.547 918 HG SER 123 HG SER 123 12.095 7.342 6.766 919 H GLU 124 H GLU 124 9.632 5.391 9.632 920 HA GLU 124 HA GLU 124 11.893 3.854 8.822 921 HB2 GLU 124 1HB GLU 124 10.250 4.119 11.344 922 HB3 GLU 124 2HB GLU 124 11.320 2.743 11.168 923 HG2 GLU 124 1HG GLU 124 12.472 5.435 10.493 924 HG3 GLU 124 2HG GLU 124 12.139 5.127 12.186 925 H ALA 125 H ALA 125 8.381 3.327 9.457 926 HA ALA 125 HA ALA 125 8.477 0.534 9.078 927 HB1 ALA 125 1HB ALA 125 6.676 1.590 10.313 928 HB2 ALA 125 2HB ALA 125 6.231 2.581 8.903 929 HB3 ALA 125 3HB ALA 125 5.987 0.818 8.865 930 H VAL 126 H VAL 126 8.903 3.176 6.937 931 HA VAL 126 HA VAL 126 7.862 1.681 4.659 932 HB VAL 126 HB VAL 126 8.966 4.486 4.906 933 HG11 VAL 126 1HG1 VAL 126 7.498 3.212 2.573 934 HG12 VAL 126 2HG1 VAL 126 8.162 4.862 2.656 935 HG13 VAL 126 3HG1 VAL 126 9.259 3.460 2.650 936 HG21 VAL 126 1HG2 VAL 126 6.087 3.592 4.553 937 HG22 VAL 126 2HG2 VAL 126 6.810 4.069 6.108 938 HG23 VAL 126 3HG2 VAL 126 6.684 5.253 4.785 939 H GLN 127 H GLN 127 10.896 3.349 5.764 940 HA GLN 127 HA GLN 127 12.469 2.486 3.704 941 HB2 GLN 127 1HB GLN 127 14.327 3.157 5.043 942 HB3 GLN 127 2HB GLN 127 13.002 4.189 5.542 943 HG2 GLN 127 1HG GLN 127 12.541 2.590 7.455 944 HG3 GLN 127 2HG GLN 127 13.957 1.672 6.985 945 HE21 GLN 127 1HE2 GLN 127 15.814 2.172 7.868 946 HE22 GLN 127 2HE2 GLN 127 16.229 3.652 8.666 947 H ALA 128 H ALA 128 11.825 0.924 6.911 948 HA ALA 128 HA ALA 128 13.515 -1.277 6.444 949 HB1 ALA 128 1HB ALA 128 12.227 -2.256 8.363 950 HB2 ALA 128 2HB ALA 128 12.842 -0.616 8.683 951 HB3 ALA 128 3HB ALA 128 11.125 -0.860 8.282 952 H ALA 129 H ALA 129 10.561 -0.310 5.002 953 HA ALA 129 HA ALA 129 9.625 -3.008 4.540 954 HB1 ALA 129 1HB ALA 129 8.387 -0.855 2.983 955 HB2 ALA 129 2HB ALA 129 7.656 -1.978 4.155 956 HB3 ALA 129 3HB ALA 129 8.441 -0.486 4.724 957 H CYS 130 H CYS 130 11.643 -0.533 3.043 958 HA CYS 130 HA CYS 130 11.423 -1.669 0.427 959 HB2 CYS 130 1HB CYS 130 11.812 0.715 0.634 960 HB3 CYS 130 2HB CYS 130 13.267 0.450 1.575 961 HG CYS 130 HG CYS 130 12.859 0.722 -1.481 962 H SER 131 H SER 131 13.897 -1.475 3.083 963 HA SER 131 HA SER 131 15.758 -3.067 1.768 964 HB2 SER 131 1HB SER 131 15.351 -1.990 4.514 965 HB3 SER 131 2HB SER 131 16.327 -3.444 4.440 966 HG SER 131 HG SER 131 16.827 -1.187 2.709 967 H GLY 132 H GLY 132 13.301 -3.805 4.341 968 HA2 GLY 132 1HA GLY 132 12.015 -5.830 4.096 969 HA3 GLY 132 2HA GLY 132 13.459 -6.643 3.524 970 HA PRO 133 HA PRO 133 13.298 -7.502 7.946 971 HB2 PRO 133 1HB PRO 133 13.775 -10.188 7.785 972 HB3 PRO 133 2HB PRO 133 12.163 -9.502 7.831 973 HG2 PRO 133 1HG PRO 133 13.629 -10.636 5.528 974 HG3 PRO 133 2HG PRO 133 11.910 -10.344 5.699 975 HD2 PRO 133 1HD PRO 133 13.779 -8.762 4.206 976 HD3 PRO 133 2HD PRO 133 12.084 -8.408 4.472 977 H SER 134 H SER 134 14.911 -7.817 9.520 978 HA SER 134 HA SER 134 16.958 -7.735 10.234 979 HB2 SER 134 1HB SER 134 17.328 -9.975 9.536 980 HB3 SER 134 2HB SER 134 17.351 -9.546 7.837 981 HG SER 134 HG SER 134 19.465 -9.311 7.982 982 H SER 135 H SER 135 17.217 -5.451 9.999 983 HA SER 135 HA SER 135 18.841 -4.740 7.685 984 HB2 SER 135 1HB SER 135 17.741 -2.555 7.582 985 HB3 SER 135 2HB SER 135 16.540 -3.823 7.442 986 HG SER 135 HG SER 135 17.183 -2.610 9.983 987 H GLY 136 H GLY 136 20.549 -3.206 8.107 988 HA2 GLY 136 1HA GLY 136 20.859 -1.874 10.581 989 HA3 GLY 136 2HA GLY 136 21.763 -3.375 10.607 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -9.267 0.174 -17.950 2 HA2 GLY 1 1HA GLY 1 -11.282 1.918 -16.667 3 HA3 GLY 1 2HA GLY 1 -11.633 0.444 -17.546 4 H SER 2 H SER 2 -12.476 0.944 -14.839 5 HA SER 2 HA SER 2 -11.172 -1.316 -13.622 6 HB2 SER 2 1HB SER 2 -9.961 0.713 -12.767 7 HB3 SER 2 2HB SER 2 -11.478 1.342 -12.155 8 HG SER 2 HG SER 2 -11.319 -1.146 -11.190 9 H SER 3 H SER 3 -13.059 -2.563 -13.719 10 HA SER 3 HA SER 3 -15.368 -1.373 -12.389 11 HB2 SER 3 1HB SER 3 -15.181 -2.452 -14.994 12 HB3 SER 3 2HB SER 3 -15.987 -3.699 -14.062 13 HG SER 3 HG SER 3 -16.791 -0.914 -14.131 14 H GLY 4 H GLY 4 -13.788 -4.551 -13.212 15 HA2 GLY 4 1HA GLY 4 -14.155 -5.396 -10.432 16 HA3 GLY 4 2HA GLY 4 -14.911 -6.359 -11.686 17 H SER 5 H SER 5 -12.434 -6.620 -9.727 18 HA SER 5 HA SER 5 -10.911 -8.102 -11.625 19 HB2 SER 5 1HB SER 5 -8.729 -6.969 -10.892 20 HB3 SER 5 2HB SER 5 -9.740 -6.062 -11.999 21 HG SER 5 HG SER 5 -9.530 -4.510 -10.525 22 H SER 6 H SER 6 -10.049 -9.916 -10.607 23 HA SER 6 HA SER 6 -10.225 -9.872 -7.698 24 HB2 SER 6 1HB SER 6 -10.598 -12.285 -7.796 25 HB3 SER 6 2HB SER 6 -11.749 -11.481 -8.844 26 HG SER 6 HG SER 6 -10.782 -13.343 -9.874 27 H GLY 7 H GLY 7 -8.493 -10.924 -6.473 28 HA2 GLY 7 1HA GLY 7 -6.182 -11.951 -7.824 29 HA3 GLY 7 2HA GLY 7 -5.934 -10.325 -7.220 30 HA PRO 8 HA PRO 8 -6.806 -13.058 -3.442 31 HB2 PRO 8 1HB PRO 8 -7.195 -15.745 -3.759 32 HB3 PRO 8 2HB PRO 8 -8.511 -14.595 -3.631 33 HG2 PRO 8 1HG PRO 8 -7.496 -15.991 -6.031 34 HG3 PRO 8 2HG PRO 8 -9.036 -15.188 -5.797 35 HD2 PRO 8 1HD PRO 8 -6.782 -14.182 -7.257 36 HD3 PRO 8 2HD PRO 8 -8.278 -13.333 -6.924 37 H THR 9 H THR 9 -4.945 -12.895 -2.376 38 HA THR 9 HA THR 9 -2.963 -14.936 -3.047 39 HB THR 9 HB THR 9 -2.436 -12.891 -4.407 40 HG1 THR 9 1HG THR 9 -0.808 -13.299 -1.997 41 HG21 THR 9 1HG2 THR 9 -3.320 -11.088 -2.986 42 HG22 THR 9 2HG2 THR 9 -2.288 -11.604 -1.632 43 HG23 THR 9 3HG2 THR 9 -1.554 -10.899 -3.092 44 HA PRO 10 HA PRO 10 -2.647 -15.090 1.233 45 HB2 PRO 10 1HB PRO 10 -0.327 -16.508 1.500 46 HB3 PRO 10 2HB PRO 10 -1.874 -17.257 1.158 47 HG2 PRO 10 1HG PRO 10 0.400 -16.782 -0.671 48 HG3 PRO 10 2HG PRO 10 -0.951 -17.881 -0.862 49 HD2 PRO 10 1HD PRO 10 -0.599 -15.350 -2.166 50 HD3 PRO 10 2HD PRO 10 -2.002 -16.395 -2.267 51 H LYS 11 H LYS 11 -1.850 -14.062 3.054 52 HA LYS 11 HA LYS 11 0.568 -12.507 2.552 53 HB2 LYS 11 1HB LYS 11 -2.170 -11.428 2.968 54 HB3 LYS 11 2HB LYS 11 -0.892 -10.661 3.889 55 HG2 LYS 11 1HG LYS 11 -0.025 -9.652 2.040 56 HG3 LYS 11 2HG LYS 11 -0.045 -11.143 1.119 57 HD2 LYS 11 1HD LYS 11 -2.239 -10.787 0.320 58 HD3 LYS 11 2HD LYS 11 -2.666 -9.729 1.649 59 HE2 LYS 11 1HE LYS 11 -0.410 -8.701 0.022 60 HE3 LYS 11 2HE LYS 11 -1.889 -8.895 -0.897 61 HZ1 LYS 11 1HZ LYS 11 -1.693 -6.743 0.211 62 HZ2 LYS 11 2HZ LYS 11 -3.032 -7.553 0.678 63 HZ3 LYS 11 3HZ LYS 11 -1.737 -7.475 1.670 64 H THR 12 H THR 12 1.875 -12.264 4.365 65 HA THR 12 HA THR 12 0.825 -12.867 6.976 66 HB THR 12 HB THR 12 2.760 -14.756 5.536 67 HG1 THR 12 1HG THR 12 0.929 -16.095 5.702 68 HG21 THR 12 1HG2 THR 12 1.881 -14.541 8.454 69 HG22 THR 12 2HG2 THR 12 2.434 -16.077 7.745 70 HG23 THR 12 3HG2 THR 12 3.540 -14.684 7.824 71 H GLU 13 H GLU 13 1.547 -10.487 6.677 72 HA GLU 13 HA GLU 13 4.160 -10.389 7.864 73 HB2 GLU 13 1HB GLU 13 3.551 -9.354 5.129 74 HB3 GLU 13 2HB GLU 13 4.452 -8.265 6.164 75 HG2 GLU 13 1HG GLU 13 5.713 -10.727 6.606 76 HG3 GLU 13 2HG GLU 13 5.313 -10.797 4.902 77 H LEU 14 H LEU 14 4.022 -9.065 9.626 78 HA LEU 14 HA LEU 14 1.681 -7.692 10.228 79 HB2 LEU 14 1HB LEU 14 3.752 -8.559 11.641 80 HB3 LEU 14 2HB LEU 14 4.280 -6.898 11.455 81 HG LEU 14 HG LEU 14 1.490 -7.051 12.295 82 HD11 LEU 14 1HD1 LEU 14 2.187 -9.143 13.338 83 HD12 LEU 14 2HD1 LEU 14 3.556 -8.314 14.118 84 HD13 LEU 14 3HD1 LEU 14 1.886 -7.887 14.563 85 HD21 LEU 14 1HD2 LEU 14 2.025 -5.155 13.354 86 HD22 LEU 14 2HD2 LEU 14 3.468 -5.869 14.114 87 HD23 LEU 14 3HD2 LEU 14 3.554 -5.252 12.446 88 H VAL 15 H VAL 15 0.902 -5.699 9.726 89 HA VAL 15 HA VAL 15 2.758 -3.929 8.289 90 HB VAL 15 HB VAL 15 1.266 -4.397 6.659 91 HG11 VAL 15 1HG1 VAL 15 -1.242 -4.805 7.199 92 HG12 VAL 15 2HG1 VAL 15 -0.060 -6.073 7.602 93 HG13 VAL 15 3HG1 VAL 15 -0.685 -5.002 8.878 94 HG21 VAL 15 1HG2 VAL 15 -0.541 -2.688 6.550 95 HG22 VAL 15 2HG2 VAL 15 -0.222 -2.285 8.255 96 HG23 VAL 15 3HG2 VAL 15 1.037 -2.013 7.025 97 H GLN 16 H GLN 16 2.178 -1.547 8.514 98 HA GLN 16 HA GLN 16 1.030 -1.080 11.152 99 HB2 GLN 16 1HB GLN 16 3.571 0.115 9.975 100 HB3 GLN 16 2HB GLN 16 2.759 0.803 11.366 101 HG2 GLN 16 1HG GLN 16 3.344 -0.957 12.766 102 HG3 GLN 16 2HG GLN 16 3.292 -2.146 11.480 103 HE21 GLN 16 1HE2 GLN 16 4.973 -1.876 9.745 104 HE22 GLN 16 2HE2 GLN 16 6.589 -1.496 10.237 105 H LYS 17 H LYS 17 -0.801 0.121 10.913 106 HA LYS 17 HA LYS 17 -1.010 1.811 8.550 107 HB2 LYS 17 1HB LYS 17 -3.001 0.659 10.503 108 HB3 LYS 17 2HB LYS 17 -3.440 1.969 9.427 109 HG2 LYS 17 1HG LYS 17 -3.447 0.620 7.573 110 HG3 LYS 17 2HG LYS 17 -1.990 -0.224 8.057 111 HD2 LYS 17 1HD LYS 17 -4.045 -0.953 9.931 112 HD3 LYS 17 2HD LYS 17 -4.745 -1.079 8.329 113 HE2 LYS 17 1HE LYS 17 -2.874 -2.528 7.588 114 HE3 LYS 17 2HE LYS 17 -2.081 -2.341 9.139 115 HZ1 LYS 17 1HZ LYS 17 -4.610 -3.706 8.583 116 HZ2 LYS 17 2HZ LYS 17 -3.254 -4.326 9.249 117 HZ3 LYS 17 3HZ LYS 17 -4.180 -3.284 10.101 118 H PHE 18 H PHE 18 -0.586 3.946 8.651 119 HA PHE 18 HA PHE 18 -0.775 5.188 11.305 120 HB2 PHE 18 1HB PHE 18 1.080 5.637 8.893 121 HB3 PHE 18 2HB PHE 18 1.041 6.727 10.264 122 HD1 PHE 18 1HD PHE 18 1.762 5.894 12.513 123 HD2 PHE 18 2HD PHE 18 2.284 3.592 8.987 124 HE1 PHE 18 1HE PHE 18 3.458 4.469 13.694 125 HE2 PHE 18 2HE PHE 18 3.979 2.167 10.168 126 HZ PHE 18 HZ PHE 18 4.546 2.623 12.508 127 H ARG 19 H ARG 19 -2.154 6.901 11.487 128 HA ARG 19 HA ARG 19 -3.539 7.673 9.118 129 HB2 ARG 19 1HB ARG 19 -4.938 7.432 11.043 130 HB3 ARG 19 2HB ARG 19 -3.820 8.296 12.080 131 HG2 ARG 19 1HG ARG 19 -4.706 10.327 11.535 132 HG3 ARG 19 2HG ARG 19 -4.716 9.960 9.821 133 HD2 ARG 19 1HD ARG 19 -6.903 9.225 9.849 134 HD3 ARG 19 2HD ARG 19 -6.733 8.442 11.407 135 HE ARG 19 HE ARG 19 -7.719 11.118 10.939 136 HH11 ARG 19 2HH2 ARG 19 -5.858 9.212 13.238 137 HH12 ARG 19 1HH2 ARG 19 -6.250 10.222 14.589 138 HH21 ARG 19 2HH1 ARG 19 -8.236 12.452 12.721 139 HH22 ARG 19 1HH1 ARG 19 -7.612 12.078 14.293 140 H VAL 20 H VAL 20 -2.402 9.090 7.789 141 HA VAL 20 HA VAL 20 -1.325 11.485 9.106 142 HB VAL 20 HB VAL 20 0.419 11.499 7.351 143 HG11 VAL 20 1HG1 VAL 20 0.408 10.175 9.729 144 HG12 VAL 20 2HG1 VAL 20 0.851 8.858 8.617 145 HG13 VAL 20 3HG1 VAL 20 1.836 10.339 8.679 146 HG21 VAL 20 1HG2 VAL 20 0.865 9.319 6.160 147 HG22 VAL 20 2HG2 VAL 20 -0.756 8.788 6.669 148 HG23 VAL 20 3HG2 VAL 20 -0.577 10.203 5.604 149 H GLN 21 H GLN 21 -1.190 13.388 7.540 150 HA GLN 21 HA GLN 21 -3.675 13.408 6.076 151 HB2 GLN 21 1HB GLN 21 -1.789 15.538 7.111 152 HB3 GLN 21 2HB GLN 21 -2.970 15.945 5.882 153 HG2 GLN 21 1HG GLN 21 -4.819 15.387 7.299 154 HG3 GLN 21 2HG GLN 21 -3.812 14.473 8.404 155 HE21 GLN 21 1HE2 GLN 21 -4.858 17.612 7.356 156 HE22 GLN 21 2HE2 GLN 21 -4.228 18.547 8.671 157 H TYR 22 H TYR 22 -3.841 13.998 3.835 158 HA TYR 22 HA TYR 22 -1.394 13.416 2.356 159 HB2 TYR 22 1HB TYR 22 -3.867 12.397 2.141 160 HB3 TYR 22 2HB TYR 22 -4.239 13.902 1.323 161 HD1 TYR 22 1HD TYR 22 -1.047 13.656 0.329 162 HD2 TYR 22 2HD TYR 22 -4.689 11.456 -0.123 163 HE1 TYR 22 1HE TYR 22 -0.193 12.677 -1.856 164 HE2 TYR 22 2HE TYR 22 -3.822 10.485 -2.307 165 HH TYR 22 HH TYR 22 -1.769 11.619 -4.092 166 H LEU 23 H LEU 23 -0.167 15.273 2.160 167 HA LEU 23 HA LEU 23 -1.282 17.833 1.934 168 HB2 LEU 23 1HB LEU 23 1.403 16.594 1.609 169 HB3 LEU 23 2HB LEU 23 1.158 18.184 0.916 170 HG LEU 23 HG LEU 23 0.115 18.531 3.429 171 HD11 LEU 23 1HD1 LEU 23 1.548 16.108 3.591 172 HD12 LEU 23 2HD1 LEU 23 2.552 17.342 4.388 173 HD13 LEU 23 3HD1 LEU 23 0.874 17.079 4.922 174 HD21 LEU 23 1HD2 LEU 23 2.257 19.493 1.887 175 HD22 LEU 23 2HD2 LEU 23 1.571 20.204 3.368 176 HD23 LEU 23 3HD2 LEU 23 2.948 19.081 3.474 177 H GLY 24 H GLY 24 -0.013 15.496 -0.523 178 HA2 GLY 24 1HA GLY 24 -1.732 15.678 -2.491 179 HA3 GLY 24 2HA GLY 24 -0.978 17.251 -2.659 180 H MET 25 H MET 25 -0.841 15.286 -4.707 181 HA MET 25 HA MET 25 1.801 14.145 -4.434 182 HB2 MET 25 1HB MET 25 -0.421 13.042 -5.442 183 HB3 MET 25 2HB MET 25 0.018 13.923 -6.892 184 HG2 MET 25 1HG MET 25 2.356 12.840 -6.693 185 HG3 MET 25 2HG MET 25 1.677 11.805 -5.452 186 HE1 MET 25 1HE MET 25 0.789 11.839 -9.925 187 HE2 MET 25 2HE MET 25 -0.040 13.097 -8.976 188 HE3 MET 25 3HE MET 25 1.738 13.003 -8.969 189 H LEU 26 H LEU 26 3.556 15.298 -5.099 190 HA LEU 26 HA LEU 26 3.123 17.197 -7.300 191 HB2 LEU 26 1HB LEU 26 3.565 18.168 -5.021 192 HB3 LEU 26 2HB LEU 26 5.152 17.428 -5.078 193 HG LEU 26 HG LEU 26 4.493 19.092 -7.429 194 HD11 LEU 26 1HD1 LEU 26 4.755 21.224 -6.328 195 HD12 LEU 26 2HD1 LEU 26 3.369 20.360 -5.621 196 HD13 LEU 26 3HD1 LEU 26 4.916 20.430 -4.743 197 HD21 LEU 26 1HD2 LEU 26 6.885 19.115 -5.572 198 HD22 LEU 26 2HD2 LEU 26 6.707 18.037 -6.978 199 HD23 LEU 26 3HD2 LEU 26 6.774 19.800 -7.211 200 HA PRO 27 HA PRO 27 5.976 14.625 -9.331 201 HB2 PRO 27 1HB PRO 27 6.105 15.995 -11.692 202 HB3 PRO 27 2HB PRO 27 4.848 14.829 -11.328 203 HG2 PRO 27 1HG PRO 27 4.683 17.780 -11.368 204 HG3 PRO 27 2HG PRO 27 3.383 16.607 -11.429 205 HD2 PRO 27 1HD PRO 27 4.180 18.168 -9.159 206 HD3 PRO 27 2HD PRO 27 2.958 16.913 -9.191 207 H VAL 28 H VAL 28 8.166 14.507 -10.117 208 HA VAL 28 HA VAL 28 9.621 16.990 -9.625 209 HB VAL 28 HB VAL 28 11.274 15.810 -8.282 210 HG11 VAL 28 1HG1 VAL 28 9.628 16.971 -7.021 211 HG12 VAL 28 2HG1 VAL 28 8.412 15.701 -7.296 212 HG13 VAL 28 3HG1 VAL 28 9.813 15.380 -6.245 213 HG21 VAL 28 1HG2 VAL 28 9.492 13.446 -8.818 214 HG22 VAL 28 2HG2 VAL 28 11.266 13.573 -8.896 215 HG23 VAL 28 3HG2 VAL 28 10.446 13.520 -7.317 216 H ASP 29 H ASP 29 12.165 16.256 -10.140 217 HA ASP 29 HA ASP 29 11.901 15.127 -12.806 218 HB2 ASP 29 1HB ASP 29 13.387 17.368 -11.652 219 HB3 ASP 29 2HB ASP 29 14.487 16.271 -12.462 220 H ARG 30 H ARG 30 14.290 15.417 -10.056 221 HA ARG 30 HA ARG 30 15.594 13.040 -10.915 222 HB2 ARG 30 1HB ARG 30 15.981 15.039 -8.668 223 HB3 ARG 30 2HB ARG 30 16.814 13.499 -8.582 224 HG2 ARG 30 1HG ARG 30 17.492 14.085 -11.105 225 HG3 ARG 30 2HG ARG 30 17.145 15.726 -10.599 226 HD2 ARG 30 1HD ARG 30 18.683 15.169 -8.528 227 HD3 ARG 30 2HD ARG 30 19.246 13.825 -9.502 228 HE ARG 30 HE ARG 30 19.280 16.291 -11.028 229 HH11 ARG 30 2HH2 ARG 30 21.044 14.496 -8.569 230 HH12 ARG 30 1HH2 ARG 30 22.567 15.231 -8.942 231 HH21 ARG 30 2HH1 ARG 30 21.290 17.261 -11.521 232 HH22 ARG 30 1HH1 ARG 30 22.708 16.814 -10.633 233 HA PRO 31 HA PRO 31 13.232 10.408 -8.341 234 HB2 PRO 31 1HB PRO 31 14.731 8.131 -8.529 235 HB3 PRO 31 2HB PRO 31 13.567 8.615 -9.746 236 HG2 PRO 31 1HG PRO 31 16.518 8.758 -9.842 237 HG3 PRO 31 2HG PRO 31 15.372 8.828 -11.166 238 HD2 PRO 31 1HD PRO 31 16.789 11.035 -10.004 239 HD3 PRO 31 2HD PRO 31 15.558 11.118 -11.248 240 H VAL 32 H VAL 32 16.456 11.267 -7.687 241 HA VAL 32 HA VAL 32 15.943 10.596 -4.879 242 HB VAL 32 HB VAL 32 18.204 9.873 -4.600 243 HG11 VAL 32 1HG1 VAL 32 18.035 7.777 -5.564 244 HG12 VAL 32 2HG1 VAL 32 16.354 8.351 -5.684 245 HG13 VAL 32 3HG1 VAL 32 17.421 8.416 -7.108 246 HG21 VAL 32 1HG2 VAL 32 19.022 9.783 -7.410 247 HG22 VAL 32 2HG2 VAL 32 18.784 11.442 -6.811 248 HG23 VAL 32 3HG2 VAL 32 19.911 10.346 -5.975 249 H GLY 33 H GLY 33 17.468 11.914 -3.404 250 HA2 GLY 33 1HA GLY 33 18.901 13.889 -3.354 251 HA3 GLY 33 2HA GLY 33 17.889 14.588 -4.603 252 H MET 34 H MET 34 18.557 15.290 -1.634 253 HA MET 34 HA MET 34 15.976 15.088 -0.417 254 HB2 MET 34 1HB MET 34 18.718 16.158 0.328 255 HB3 MET 34 2HB MET 34 17.342 16.695 1.271 256 HG2 MET 34 1HG MET 34 17.120 13.832 0.930 257 HG3 MET 34 2HG MET 34 18.754 14.187 1.453 258 HE1 MET 34 1HE MET 34 15.131 13.652 2.689 259 HE2 MET 34 2HE MET 34 14.853 15.104 3.680 260 HE3 MET 34 3HE MET 34 15.107 15.259 1.925 261 H ASP 35 H ASP 35 18.104 17.650 -1.818 262 HA ASP 35 HA ASP 35 16.770 19.857 -1.133 263 HB2 ASP 35 1HB ASP 35 18.835 19.613 -2.630 264 HB3 ASP 35 2HB ASP 35 17.750 19.290 -3.968 265 H THR 36 H THR 36 16.226 17.997 -4.232 266 HA THR 36 HA THR 36 13.958 19.334 -5.056 267 HB THR 36 HB THR 36 15.081 16.532 -5.467 268 HG1 THR 36 1HG THR 36 14.576 18.920 -7.102 269 HG21 THR 36 1HG2 THR 36 12.703 16.216 -5.914 270 HG22 THR 36 2HG2 THR 36 12.589 17.807 -6.703 271 HG23 THR 36 3HG2 THR 36 13.494 16.489 -7.485 272 H LEU 37 H LEU 37 14.259 16.549 -2.798 273 HA LEU 37 HA LEU 37 11.563 15.981 -2.589 274 HB2 LEU 37 1HB LEU 37 13.431 14.609 -1.747 275 HB3 LEU 37 2HB LEU 37 13.708 15.778 -0.471 276 HG LEU 37 HG LEU 37 11.067 15.220 -0.070 277 HD11 LEU 37 1HD1 LEU 37 12.153 13.037 -1.682 278 HD12 LEU 37 2HD1 LEU 37 11.477 12.490 -0.129 279 HD13 LEU 37 3HD1 LEU 37 10.470 13.428 -1.256 280 HD21 LEU 37 1HD2 LEU 37 13.441 13.734 1.090 281 HD22 LEU 37 2HD2 LEU 37 12.799 15.299 1.643 282 HD23 LEU 37 3HD2 LEU 37 11.813 13.826 1.805 283 H ASN 38 H ASN 38 13.534 17.986 -0.278 284 HA ASN 38 HA ASN 38 11.492 18.905 1.202 285 HB2 ASN 38 1HB ASN 38 14.054 20.296 0.290 286 HB3 ASN 38 2HB ASN 38 12.981 21.035 1.461 287 HD21 ASN 38 1HD2 ASN 38 15.330 18.604 0.832 288 HD22 ASN 38 2HD2 ASN 38 15.501 17.969 2.435 289 H SER 39 H SER 39 12.988 20.540 -1.700 290 HA SER 39 HA SER 39 11.512 22.721 -1.906 291 HB2 SER 39 1HB SER 39 13.248 21.444 -3.556 292 HB3 SER 39 2HB SER 39 11.771 21.157 -4.453 293 HG SER 39 HG SER 39 11.797 23.767 -3.651 294 H ALA 40 H ALA 40 10.518 19.425 -3.051 295 HA ALA 40 HA ALA 40 8.073 20.158 -4.135 296 HB1 ALA 40 1HB ALA 40 7.560 17.792 -4.000 297 HB2 ALA 40 2HB ALA 40 9.287 17.970 -4.393 298 HB3 ALA 40 3HB ALA 40 8.790 17.552 -2.736 299 H ILE 41 H ILE 41 8.784 18.786 -0.839 300 HA ILE 41 HA ILE 41 6.264 18.950 0.182 301 HB ILE 41 HB ILE 41 8.950 19.330 1.498 302 HG12 ILE 41 1HG1 ILE 41 7.107 16.939 1.212 303 HG13 ILE 41 2HG1 ILE 41 8.654 17.169 0.422 304 HG21 ILE 41 1HG2 ILE 41 7.983 19.833 3.427 305 HG22 ILE 41 2HG2 ILE 41 6.407 19.919 2.604 306 HG23 ILE 41 3HG2 ILE 41 6.954 18.384 3.322 307 HD11 ILE 41 1HD1 ILE 41 8.107 16.736 3.379 308 HD12 ILE 41 2HD1 ILE 41 9.144 15.781 2.293 309 HD13 ILE 41 3HD1 ILE 41 9.655 17.406 2.810 310 H GLU 42 H GLU 42 8.818 21.450 0.850 311 HA GLU 42 HA GLU 42 7.293 23.311 1.953 312 HB2 GLU 42 1HB GLU 42 9.689 23.437 0.150 313 HB3 GLU 42 2HB GLU 42 8.876 24.952 0.487 314 HG2 GLU 42 1HG GLU 42 8.963 24.138 3.009 315 HG3 GLU 42 2HG GLU 42 10.215 23.054 2.435 316 H ASN 43 H ASN 43 7.505 22.581 -1.562 317 HA ASN 43 HA ASN 43 6.202 24.743 -2.547 318 HB2 ASN 43 1HB ASN 43 7.179 22.466 -3.640 319 HB3 ASN 43 2HB ASN 43 5.486 22.014 -3.638 320 HD21 ASN 43 1HD2 ASN 43 6.795 22.231 -5.980 321 HD22 ASN 43 2HD2 ASN 43 6.266 23.607 -6.889 322 H LEU 44 H LEU 44 4.754 21.489 -1.726 323 HA LEU 44 HA LEU 44 2.117 22.181 -2.068 324 HB2 LEU 44 1HB LEU 44 3.595 20.103 -0.534 325 HB3 LEU 44 2HB LEU 44 1.895 20.323 -0.173 326 HG LEU 44 HG LEU 44 2.958 19.811 -2.962 327 HD11 LEU 44 1HD1 LEU 44 3.248 17.993 -1.038 328 HD12 LEU 44 2HD1 LEU 44 1.544 17.674 -1.441 329 HD13 LEU 44 3HD1 LEU 44 2.794 17.558 -2.703 330 HD21 LEU 44 1HD2 LEU 44 0.618 19.209 -3.457 331 HD22 LEU 44 2HD2 LEU 44 0.159 19.696 -1.807 332 HD23 LEU 44 3HD2 LEU 44 0.796 20.905 -2.948 333 H MET 45 H MET 45 3.954 22.093 1.072 334 HA MET 45 HA MET 45 2.113 23.000 2.732 335 HB2 MET 45 1HB MET 45 5.064 23.729 2.441 336 HB3 MET 45 2HB MET 45 4.135 24.348 3.792 337 HG2 MET 45 1HG MET 45 3.490 21.597 3.724 338 HG3 MET 45 2HG MET 45 5.204 21.641 3.359 339 HE1 MET 45 1HE MET 45 4.312 20.174 5.512 340 HE2 MET 45 2HE MET 45 4.804 20.744 7.125 341 HE3 MET 45 3HE MET 45 3.154 21.057 6.536 342 H THR 46 H THR 46 4.358 25.295 1.005 343 HA THR 46 HA THR 46 2.699 27.528 1.662 344 HB THR 46 HB THR 46 5.251 27.487 1.378 345 HG1 THR 46 1HG THR 46 5.056 29.619 0.479 346 HG21 THR 46 1HG2 THR 46 5.201 28.151 -1.431 347 HG22 THR 46 2HG2 THR 46 6.143 26.871 -0.631 348 HG23 THR 46 3HG2 THR 46 4.509 26.522 -1.245 349 H SER 47 H SER 47 0.792 26.067 0.703 350 HA SER 47 HA SER 47 0.011 27.484 -1.588 351 HB2 SER 47 1HB SER 47 1.355 24.948 -2.029 352 HB3 SER 47 2HB SER 47 -0.319 24.804 -2.525 353 HG SER 47 HG SER 47 1.348 25.661 -4.136 354 H SER 48 H SER 48 -0.548 24.172 -0.166 355 HA SER 48 HA SER 48 -3.353 24.861 0.009 356 HB2 SER 48 1HB SER 48 -1.772 22.337 -0.171 357 HB3 SER 48 2HB SER 48 -3.194 22.250 0.850 358 HG SER 48 HG SER 48 -4.418 22.201 -0.899 359 H SER 49 H SER 49 -4.557 24.437 2.045 360 HA SER 49 HA SER 49 -3.077 25.359 4.257 361 HB2 SER 49 1HB SER 49 -5.915 24.244 4.162 362 HB3 SER 49 2HB SER 49 -5.234 25.200 5.462 363 HG SER 49 HG SER 49 -6.201 26.010 2.948 364 H LYS 50 H LYS 50 -3.497 24.135 6.512 365 HA LYS 50 HA LYS 50 -2.250 21.582 6.201 366 HB2 LYS 50 1HB LYS 50 -1.391 22.710 8.009 367 HB3 LYS 50 2HB LYS 50 -2.930 23.420 8.456 368 HG2 LYS 50 1HG LYS 50 -3.734 21.323 9.382 369 HG3 LYS 50 2HG LYS 50 -2.397 20.427 8.689 370 HD2 LYS 50 1HD LYS 50 -0.999 22.267 10.158 371 HD3 LYS 50 2HD LYS 50 -2.457 22.168 11.125 372 HE2 LYS 50 1HE LYS 50 -1.891 19.478 10.532 373 HE3 LYS 50 2HE LYS 50 -0.304 20.180 10.781 374 HZ1 LYS 50 1HZ LYS 50 -1.052 21.026 12.884 375 HZ2 LYS 50 2HZ LYS 50 -2.558 20.441 12.649 376 HZ3 LYS 50 3HZ LYS 50 -1.301 19.413 12.829 377 H GLU 51 H GLU 51 -5.405 22.771 7.551 378 HA GLU 51 HA GLU 51 -6.376 20.223 8.048 379 HB2 GLU 51 1HB GLU 51 -7.749 22.898 7.591 380 HB3 GLU 51 2HB GLU 51 -8.651 21.451 7.995 381 HG2 GLU 51 1HG GLU 51 -6.273 22.214 9.704 382 HG3 GLU 51 2HG GLU 51 -7.778 23.087 9.911 383 H ASP 52 H ASP 52 -6.256 22.230 5.117 384 HA ASP 52 HA ASP 52 -8.244 21.126 3.649 385 HB2 ASP 52 1HB ASP 52 -7.025 22.957 2.722 386 HB3 ASP 52 2HB ASP 52 -5.481 22.158 2.941 387 H TRP 53 H TRP 53 -5.247 19.717 4.816 388 HA TRP 53 HA TRP 53 -5.072 17.670 2.819 389 HB2 TRP 53 1HB TRP 53 -3.721 17.765 5.516 390 HB3 TRP 53 2HB TRP 53 -3.250 16.828 4.112 391 HD1 TRP 53 HD TRP 53 -3.414 19.251 1.933 392 HE1 TRP 53 1HE TRP 53 -1.589 21.156 1.865 393 HE3 TRP 53 3HE TRP 53 -1.810 18.609 6.716 394 HZ2 TRP 53 2HZ TRP 53 0.279 22.158 3.776 395 HZ3 TRP 53 3HZ TRP 53 0.018 20.092 7.536 396 HH2 TRP 53 HH TRP 53 1.055 21.819 6.151 397 HA PRO 54 HA PRO 54 -8.124 15.248 4.822 398 HB2 PRO 54 1HB PRO 54 -8.146 13.160 3.059 399 HB3 PRO 54 2HB PRO 54 -9.072 14.627 2.818 400 HG2 PRO 54 1HG PRO 54 -6.584 13.765 1.475 401 HG3 PRO 54 2HG PRO 54 -7.738 14.983 0.970 402 HD2 PRO 54 1HD PRO 54 -5.171 15.441 2.166 403 HD3 PRO 54 2HD PRO 54 -6.373 16.653 1.768 404 H SER 55 H SER 55 -8.215 13.774 6.447 405 HA SER 55 HA SER 55 -5.693 12.783 7.207 406 HB2 SER 55 1HB SER 55 -8.051 11.553 8.504 407 HB3 SER 55 2HB SER 55 -6.703 12.412 9.223 408 HG SER 55 HG SER 55 -7.834 14.239 9.232 409 H VAL 56 H VAL 56 -4.781 11.185 5.923 410 HA VAL 56 HA VAL 56 -6.526 8.928 5.225 411 HB VAL 56 HB VAL 56 -5.048 8.523 3.373 412 HG11 VAL 56 1HG1 VAL 56 -5.641 10.345 1.992 413 HG12 VAL 56 2HG1 VAL 56 -6.892 10.297 3.257 414 HG13 VAL 56 3HG1 VAL 56 -5.584 11.501 3.344 415 HG21 VAL 56 1HG2 VAL 56 -3.441 10.962 4.190 416 HG22 VAL 56 2HG2 VAL 56 -2.957 9.289 4.557 417 HG23 VAL 56 3HG2 VAL 56 -3.102 9.823 2.865 418 H ASN 57 H ASN 57 -5.194 6.787 5.035 419 HA ASN 57 HA ASN 57 -3.460 6.712 7.379 420 HB2 ASN 57 1HB ASN 57 -5.478 4.731 6.253 421 HB3 ASN 57 2HB ASN 57 -4.172 4.156 7.271 422 HD21 ASN 57 1HD2 ASN 57 -7.273 4.896 7.342 423 HD22 ASN 57 2HD2 ASN 57 -7.482 5.520 8.944 424 H MET 58 H MET 58 -1.457 5.534 7.150 425 HA MET 58 HA MET 58 -0.846 4.852 4.387 426 HB2 MET 58 1HB MET 58 0.513 6.630 5.664 427 HB3 MET 58 2HB MET 58 1.060 5.358 6.738 428 HG2 MET 58 1HG MET 58 2.803 5.306 5.202 429 HG3 MET 58 2HG MET 58 1.731 4.154 4.431 430 HE1 MET 58 1HE MET 58 2.622 7.628 5.018 431 HE2 MET 58 2HE MET 58 3.438 7.901 3.460 432 HE3 MET 58 3HE MET 58 1.822 8.588 3.751 433 H ASN 59 H ASN 59 -1.285 2.685 4.080 434 HA ASN 59 HA ASN 59 -0.773 0.864 6.221 435 HB2 ASN 59 1HB ASN 59 -2.751 0.499 4.803 436 HB3 ASN 59 2HB ASN 59 -1.770 0.497 3.351 437 HD21 ASN 59 1HD2 ASN 59 -3.577 -1.506 4.638 438 HD22 ASN 59 2HD2 ASN 59 -2.665 -2.974 4.751 439 H VAL 60 H VAL 60 1.161 -0.293 6.432 440 HA VAL 60 HA VAL 60 2.905 -0.371 4.066 441 HB VAL 60 HB VAL 60 3.535 0.034 6.988 442 HG11 VAL 60 1HG1 VAL 60 5.431 -1.117 6.715 443 HG12 VAL 60 2HG1 VAL 60 5.114 -1.343 4.978 444 HG13 VAL 60 3HG1 VAL 60 5.942 0.126 5.548 445 HG21 VAL 60 1HG2 VAL 60 3.892 2.179 6.459 446 HG22 VAL 60 2HG2 VAL 60 4.866 1.744 5.035 447 HG23 VAL 60 3HG2 VAL 60 3.093 1.834 4.906 448 H ALA 61 H ALA 61 2.319 -2.399 3.285 449 HA ALA 61 HA ALA 61 3.117 -4.607 5.011 450 HB1 ALA 61 1HB ALA 61 0.657 -5.100 3.432 451 HB2 ALA 61 2HB ALA 61 1.077 -5.608 5.085 452 HB3 ALA 61 3HB ALA 61 0.460 -3.965 4.789 453 H ASP 62 H ASP 62 3.264 -6.692 3.639 454 HA ASP 62 HA ASP 62 4.486 -7.607 2.060 455 HB2 ASP 62 1HB ASP 62 1.977 -7.179 1.170 456 HB3 ASP 62 2HB ASP 62 2.812 -6.202 -0.021 457 H ALA 63 H ALA 63 5.793 -5.254 2.875 458 HA ALA 63 HA ALA 63 7.141 -3.589 2.267 459 HB1 ALA 63 1HB ALA 63 7.998 -4.780 -0.269 460 HB2 ALA 63 2HB ALA 63 8.909 -4.542 1.242 461 HB3 ALA 63 3HB ALA 63 7.887 -5.985 1.037 462 H THR 64 H THR 64 4.629 -2.777 1.726 463 HA THR 64 HA THR 64 5.015 -1.238 -0.714 464 HB THR 64 HB THR 64 2.623 -3.070 -0.162 465 HG1 THR 64 1HG THR 64 4.498 -2.743 -2.392 466 HG21 THR 64 1HG2 THR 64 2.144 -0.720 -1.253 467 HG22 THR 64 2HG2 THR 64 3.067 -1.353 -2.636 468 HG23 THR 64 3HG2 THR 64 1.577 -2.172 -2.111 469 H VAL 65 H VAL 65 3.680 0.686 -0.815 470 HA VAL 65 HA VAL 65 2.703 1.421 1.860 471 HB VAL 65 HB VAL 65 4.375 2.876 -0.155 472 HG11 VAL 65 1HG1 VAL 65 2.496 4.156 1.851 473 HG12 VAL 65 2HG1 VAL 65 3.881 5.000 1.118 474 HG13 VAL 65 3HG1 VAL 65 2.555 4.407 0.089 475 HG21 VAL 65 1HG2 VAL 65 4.942 3.551 2.556 476 HG22 VAL 65 2HG2 VAL 65 4.732 1.786 2.469 477 HG23 VAL 65 3HG2 VAL 65 5.924 2.593 1.422 478 H THR 66 H THR 66 0.508 1.197 1.722 479 HA THR 66 HA THR 66 -0.771 2.399 -0.645 480 HB THR 66 HB THR 66 -1.794 0.165 1.183 481 HG1 THR 66 1HG THR 66 -0.384 0.347 -1.376 482 HG21 THR 66 1HG2 THR 66 -2.809 0.026 -1.478 483 HG22 THR 66 2HG2 THR 66 -3.726 0.436 -0.009 484 HG23 THR 66 3HG2 THR 66 -2.984 1.727 -0.984 485 H VAL 67 H VAL 67 -1.723 4.295 -0.297 486 HA VAL 67 HA VAL 67 -2.264 5.077 2.429 487 HB VAL 67 HB VAL 67 -2.650 6.547 -0.186 488 HG11 VAL 67 1HG1 VAL 67 -3.907 7.796 1.279 489 HG12 VAL 67 2HG1 VAL 67 -2.945 7.312 2.696 490 HG13 VAL 67 3HG1 VAL 67 -2.304 8.518 1.555 491 HG21 VAL 67 1HG2 VAL 67 -0.379 6.331 -0.221 492 HG22 VAL 67 2HG2 VAL 67 -0.490 7.726 0.880 493 HG23 VAL 67 3HG2 VAL 67 -0.260 6.088 1.538 494 H ILE 68 H ILE 68 -4.092 4.300 3.363 495 HA ILE 68 HA ILE 68 -6.449 4.035 1.646 496 HB ILE 68 HB ILE 68 -5.778 2.811 4.323 497 HG12 ILE 68 1HG1 ILE 68 -5.869 1.665 1.521 498 HG13 ILE 68 2HG1 ILE 68 -4.464 1.827 2.554 499 HG21 ILE 68 1HG2 ILE 68 -8.072 2.973 4.453 500 HG22 ILE 68 2HG2 ILE 68 -8.295 2.834 2.693 501 HG23 ILE 68 3HG2 ILE 68 -7.872 1.396 3.653 502 HD11 ILE 68 1HD1 ILE 68 -6.208 0.415 4.192 503 HD12 ILE 68 2HD1 ILE 68 -6.587 -0.231 2.577 504 HD13 ILE 68 3HD1 ILE 68 -4.921 -0.311 3.199 505 H SER 69 H SER 69 -8.523 4.834 2.421 506 HA SER 69 HA SER 69 -8.272 7.400 3.471 507 HB2 SER 69 1HB SER 69 -10.096 6.916 1.979 508 HB3 SER 69 2HB SER 69 -10.651 5.577 2.964 509 HG SER 69 HG SER 69 -11.977 7.459 3.282 510 H GLU 70 H GLU 70 -9.784 8.109 5.434 511 HA GLU 70 HA GLU 70 -8.783 6.682 7.669 512 HB2 GLU 70 1HB GLU 70 -8.833 8.948 8.135 513 HB3 GLU 70 2HB GLU 70 -10.280 9.229 7.188 514 HG2 GLU 70 1HG GLU 70 -11.695 8.243 8.930 515 HG3 GLU 70 2HG GLU 70 -10.293 7.715 9.838 516 H LYS 71 H LYS 71 -11.868 6.944 5.904 517 HA LYS 71 HA LYS 71 -13.264 5.467 7.970 518 HB2 LYS 71 1HB LYS 71 -13.981 7.166 5.690 519 HB3 LYS 71 2HB LYS 71 -14.965 5.720 5.796 520 HG2 LYS 71 1HG LYS 71 -14.454 7.189 8.367 521 HG3 LYS 71 2HG LYS 71 -15.505 7.980 7.209 522 HD2 LYS 71 1HD LYS 71 -16.848 5.808 7.070 523 HD3 LYS 71 2HD LYS 71 -15.871 5.186 8.386 524 HE2 LYS 71 1HE LYS 71 -16.597 7.521 9.538 525 HE3 LYS 71 2HE LYS 71 -17.944 7.374 8.426 526 HZ1 LYS 71 1HZ LYS 71 -18.363 6.300 10.539 527 HZ2 LYS 71 2HZ LYS 71 -18.402 5.212 9.322 528 HZ3 LYS 71 3HZ LYS 71 -17.107 5.282 10.314 529 H ASN 72 H ASN 72 -13.775 4.897 4.495 530 HA ASN 72 HA ASN 72 -14.071 2.262 4.655 531 HB2 ASN 72 1HB ASN 72 -13.107 4.126 2.505 532 HB3 ASN 72 2HB ASN 72 -12.819 2.423 2.208 533 HD21 ASN 72 1HD2 ASN 72 -15.358 4.614 3.405 534 HD22 ASN 72 2HD2 ASN 72 -16.697 3.854 2.613 535 H GLU 73 H GLU 73 -12.631 0.379 4.220 536 HA GLU 73 HA GLU 73 -9.881 0.984 4.970 537 HB2 GLU 73 1HB GLU 73 -11.625 -1.463 5.426 538 HB3 GLU 73 2HB GLU 73 -9.884 -1.531 5.614 539 HG2 GLU 73 1HG GLU 73 -10.035 -0.598 7.673 540 HG3 GLU 73 2HG GLU 73 -10.820 0.818 7.003 541 H GLU 74 H GLU 74 -11.921 0.019 2.393 542 HA GLU 74 HA GLU 74 -9.796 -1.492 1.128 543 HB2 GLU 74 1HB GLU 74 -11.534 -2.065 -0.569 544 HB3 GLU 74 2HB GLU 74 -12.008 -2.525 1.055 545 HG2 GLU 74 1HG GLU 74 -13.698 -0.946 1.168 546 HG3 GLU 74 2HG GLU 74 -12.814 0.232 0.218 547 H GLU 75 H GLU 75 -11.260 1.664 1.239 548 HA GLU 75 HA GLU 75 -10.723 2.411 -1.408 549 HB2 GLU 75 1HB GLU 75 -12.143 3.500 0.667 550 HB3 GLU 75 2HB GLU 75 -10.720 4.522 0.703 551 HG2 GLU 75 1HG GLU 75 -11.010 5.090 -1.682 552 HG3 GLU 75 2HG GLU 75 -12.348 3.967 -1.821 553 H VAL 76 H VAL 76 -8.638 2.190 -2.175 554 HA VAL 76 HA VAL 76 -6.475 3.122 -0.444 555 HB VAL 76 HB VAL 76 -5.897 1.032 -1.137 556 HG11 VAL 76 1HG1 VAL 76 -7.694 0.329 -2.450 557 HG12 VAL 76 2HG1 VAL 76 -7.466 1.632 -3.640 558 HG13 VAL 76 3HG1 VAL 76 -6.323 0.269 -3.584 559 HG21 VAL 76 1HG2 VAL 76 -4.096 1.201 -2.629 560 HG22 VAL 76 2HG2 VAL 76 -4.902 2.447 -3.611 561 HG23 VAL 76 3HG2 VAL 76 -4.278 2.854 -1.994 562 H LEU 77 H LEU 77 -6.587 5.373 -0.639 563 HA LEU 77 HA LEU 77 -7.152 6.764 -2.941 564 HB2 LEU 77 1HB LEU 77 -5.423 7.464 -0.570 565 HB3 LEU 77 2HB LEU 77 -5.844 8.609 -1.828 566 HG LEU 77 HG LEU 77 -8.105 7.169 -0.532 567 HD11 LEU 77 1HD1 LEU 77 -6.147 8.225 1.126 568 HD12 LEU 77 2HD1 LEU 77 -7.364 9.520 1.021 569 HD13 LEU 77 3HD1 LEU 77 -7.841 7.891 1.557 570 HD21 LEU 77 1HD2 LEU 77 -7.654 10.042 -1.386 571 HD22 LEU 77 2HD2 LEU 77 -8.529 8.787 -2.294 572 HD23 LEU 77 3HD2 LEU 77 -9.175 9.375 -0.744 573 H VAL 78 H VAL 78 -3.944 5.649 -1.680 574 HA VAL 78 HA VAL 78 -2.983 5.778 -4.437 575 HB VAL 78 HB VAL 78 -1.836 7.143 -2.022 576 HG11 VAL 78 1HG1 VAL 78 0.320 7.362 -3.127 577 HG12 VAL 78 2HG1 VAL 78 -0.071 5.640 -2.904 578 HG13 VAL 78 3HG1 VAL 78 -0.255 6.394 -4.506 579 HG21 VAL 78 1HG2 VAL 78 -1.456 8.457 -4.569 580 HG22 VAL 78 2HG2 VAL 78 -3.162 7.992 -4.363 581 HG23 VAL 78 3HG2 VAL 78 -2.362 9.003 -3.137 582 H GLU 79 H GLU 79 -1.382 4.200 -4.936 583 HA GLU 79 HA GLU 79 -0.878 2.329 -2.763 584 HB2 GLU 79 1HB GLU 79 -2.679 1.401 -4.170 585 HB3 GLU 79 2HB GLU 79 -1.709 1.626 -5.612 586 HG2 GLU 79 1HG GLU 79 -0.216 -0.112 -5.053 587 HG3 GLU 79 2HG GLU 79 -0.554 0.003 -3.338 588 H CYS 80 H CYS 80 1.277 2.942 -2.435 589 HA CYS 80 HA CYS 80 2.977 2.946 -4.809 590 HB2 CYS 80 1HB CYS 80 3.530 4.028 -2.025 591 HB3 CYS 80 2HB CYS 80 4.636 4.101 -3.383 592 HG CYS 80 HG CYS 80 2.184 5.044 -4.771 593 H ARG 81 H ARG 81 4.966 1.659 -4.763 594 HA ARG 81 HA ARG 81 4.875 -0.413 -2.719 595 HB2 ARG 81 1HB ARG 81 5.597 -0.715 -5.678 596 HB3 ARG 81 2HB ARG 81 5.763 -1.993 -4.490 597 HG2 ARG 81 1HG ARG 81 3.492 -2.391 -4.391 598 HG3 ARG 81 2HG ARG 81 3.077 -0.696 -4.550 599 HD2 ARG 81 1HD ARG 81 2.976 -0.792 -6.857 600 HD3 ARG 81 2HD ARG 81 4.327 -1.900 -6.979 601 HE ARG 81 HE ARG 81 2.433 -3.518 -5.869 602 HH11 ARG 81 2HH2 ARG 81 2.273 -1.296 -8.592 603 HH12 ARG 81 1HH2 ARG 81 1.053 -2.201 -9.424 604 HH21 ARG 81 2HH1 ARG 81 0.824 -4.713 -6.966 605 HH22 ARG 81 1HH1 ARG 81 0.223 -4.158 -8.492 606 H VAL 82 H VAL 82 6.873 -0.934 -1.748 607 HA VAL 82 HA VAL 82 8.935 0.937 -1.949 608 HB VAL 82 HB VAL 82 10.093 -0.462 -0.414 609 HG11 VAL 82 1HG1 VAL 82 7.488 0.430 -0.009 610 HG12 VAL 82 2HG1 VAL 82 7.472 -1.236 0.616 611 HG13 VAL 82 3HG1 VAL 82 8.649 -0.059 1.249 612 HG21 VAL 82 1HG2 VAL 82 8.767 -2.789 0.041 613 HG22 VAL 82 2HG2 VAL 82 8.547 -2.629 -1.718 614 HG23 VAL 82 3HG2 VAL 82 10.186 -2.641 -1.024 615 H ARG 83 H ARG 83 8.050 -1.725 -3.972 616 HA ARG 83 HA ARG 83 10.710 -2.235 -4.843 617 HB2 ARG 83 1HB ARG 83 9.646 -3.792 -6.434 618 HB3 ARG 83 2HB ARG 83 8.939 -4.006 -4.845 619 HG2 ARG 83 1HG ARG 83 6.879 -3.501 -5.644 620 HG3 ARG 83 2HG ARG 83 7.445 -1.947 -6.222 621 HD2 ARG 83 1HD ARG 83 7.885 -2.745 -8.386 622 HD3 ARG 83 2HD ARG 83 8.173 -4.386 -7.842 623 HE ARG 83 HE ARG 83 5.451 -3.778 -7.281 624 HH11 ARG 83 2HH2 ARG 83 7.548 -4.207 -10.074 625 HH12 ARG 83 1HH2 ARG 83 6.270 -4.746 -11.111 626 HH21 ARG 83 2HH1 ARG 83 3.764 -4.489 -8.649 627 HH22 ARG 83 1HH1 ARG 83 4.103 -4.908 -10.295 628 H PHE 84 H PHE 84 8.205 0.071 -5.507 629 HA PHE 84 HA PHE 84 9.421 0.695 -8.103 630 HB2 PHE 84 1HB PHE 84 6.682 0.645 -6.920 631 HB3 PHE 84 2HB PHE 84 7.018 2.155 -7.743 632 HD1 PHE 84 2HD PHE 84 8.275 1.723 -10.130 633 HD2 PHE 84 1HD PHE 84 5.624 -0.956 -8.181 634 HE1 PHE 84 2HE PHE 84 7.750 0.640 -12.333 635 HE2 PHE 84 1HE PHE 84 5.099 -2.040 -10.383 636 HZ PHE 84 HZ PHE 84 6.168 -1.229 -12.433 637 H LEU 85 H LEU 85 9.522 1.550 -4.868 638 HA LEU 85 HA LEU 85 9.297 4.356 -5.036 639 HB2 LEU 85 1HB LEU 85 9.718 2.375 -3.058 640 HB3 LEU 85 2HB LEU 85 11.055 3.502 -2.936 641 HG LEU 85 HG LEU 85 8.270 4.598 -3.100 642 HD11 LEU 85 1HD1 LEU 85 9.378 2.993 -0.844 643 HD12 LEU 85 2HD1 LEU 85 8.467 4.472 -0.452 644 HD13 LEU 85 3HD1 LEU 85 7.701 3.182 -1.411 645 HD21 LEU 85 1HD2 LEU 85 10.882 5.624 -2.635 646 HD22 LEU 85 2HD2 LEU 85 9.331 6.497 -2.680 647 HD23 LEU 85 3HD2 LEU 85 9.937 5.836 -1.142 648 H SER 86 H SER 86 11.169 5.889 -4.653 649 HA SER 86 HA SER 86 13.523 4.895 -6.057 650 HB2 SER 86 1HB SER 86 12.155 7.601 -6.389 651 HB3 SER 86 2HB SER 86 13.723 7.209 -7.067 652 HG SER 86 HG SER 86 11.554 5.436 -7.622 653 H PHE 87 H PHE 87 12.078 7.273 -3.761 654 HA PHE 87 HA PHE 87 14.190 7.014 -1.951 655 HB2 PHE 87 1HB PHE 87 15.226 8.397 -3.892 656 HB3 PHE 87 2HB PHE 87 14.045 9.643 -3.540 657 HD1 PHE 87 1HD PHE 87 14.224 10.995 -1.520 658 HD2 PHE 87 2HD PHE 87 17.098 7.997 -2.396 659 HE1 PHE 87 1HE PHE 87 15.774 11.981 0.190 660 HE2 PHE 87 2HE PHE 87 18.648 8.983 -0.686 661 HZ PHE 87 HZ PHE 87 17.968 10.963 0.587 662 H MET 88 H MET 88 14.041 8.904 -0.224 663 HA MET 88 HA MET 88 11.688 10.403 -0.175 664 HB2 MET 88 1HB MET 88 10.391 9.165 1.486 665 HB3 MET 88 2HB MET 88 10.776 8.035 0.204 666 HG2 MET 88 1HG MET 88 12.653 7.110 1.517 667 HG3 MET 88 2HG MET 88 12.420 8.317 2.765 668 HE1 MET 88 1HE MET 88 10.713 4.420 2.020 669 HE2 MET 88 2HE MET 88 9.523 5.419 1.152 670 HE3 MET 88 3HE MET 88 11.256 5.567 0.772 671 H GLY 89 H GLY 89 11.306 10.419 2.717 672 HA2 GLY 89 1HA GLY 89 13.250 10.467 4.471 673 HA3 GLY 89 2HA GLY 89 13.787 11.791 3.456 674 H VAL 90 H VAL 90 13.432 12.921 5.667 675 HA VAL 90 HA VAL 90 10.647 13.855 5.751 676 HB VAL 90 HB VAL 90 12.577 13.295 8.005 677 HG11 VAL 90 1HG1 VAL 90 10.545 15.323 7.851 678 HG12 VAL 90 2HG1 VAL 90 10.049 14.081 9.026 679 HG13 VAL 90 3HG1 VAL 90 11.616 14.905 9.210 680 HG21 VAL 90 1HG2 VAL 90 11.492 11.289 7.472 681 HG22 VAL 90 2HG2 VAL 90 10.506 11.959 8.794 682 HG23 VAL 90 3HG2 VAL 90 9.952 12.105 7.109 683 H GLY 91 H GLY 91 10.540 15.900 4.995 684 HA2 GLY 91 1HA GLY 91 12.739 17.523 4.488 685 HA3 GLY 91 2HA GLY 91 11.071 18.046 4.598 686 H LYS 92 H LYS 92 12.019 20.061 5.545 687 HA LYS 92 HA LYS 92 13.543 20.298 7.737 688 HB2 LYS 92 1HB LYS 92 11.123 21.878 6.857 689 HB3 LYS 92 2HB LYS 92 12.076 22.350 8.250 690 HG2 LYS 92 1HG LYS 92 13.321 21.829 5.514 691 HG3 LYS 92 2HG LYS 92 12.745 23.411 6.000 692 HD2 LYS 92 1HD LYS 92 14.301 22.642 8.189 693 HD3 LYS 92 2HD LYS 92 15.186 21.957 6.840 694 HE2 LYS 92 1HE LYS 92 15.492 24.085 5.795 695 HE3 LYS 92 2HE LYS 92 14.204 24.830 6.720 696 HZ1 LYS 92 1HZ LYS 92 15.854 25.499 8.017 697 HZ2 LYS 92 2HZ LYS 92 15.879 23.983 8.625 698 HZ3 LYS 92 3HZ LYS 92 16.925 24.406 7.445 699 H ASP 93 H ASP 93 10.054 20.834 8.361 700 HA ASP 93 HA ASP 93 10.158 20.113 10.953 701 HB2 ASP 93 1HB ASP 93 7.612 19.374 10.393 702 HB3 ASP 93 2HB ASP 93 8.113 21.051 10.474 703 H VAL 94 H VAL 94 9.702 18.119 12.129 704 HA VAL 94 HA VAL 94 10.364 15.744 10.633 705 HB VAL 94 HB VAL 94 10.359 14.708 12.887 706 HG11 VAL 94 1HG1 VAL 94 12.230 16.344 11.743 707 HG12 VAL 94 2HG1 VAL 94 12.030 17.100 13.342 708 HG13 VAL 94 3HG1 VAL 94 12.485 15.383 13.220 709 HG21 VAL 94 1HG2 VAL 94 8.776 16.922 13.582 710 HG22 VAL 94 2HG2 VAL 94 9.412 15.664 14.669 711 HG23 VAL 94 3HG2 VAL 94 10.327 17.171 14.419 712 H HIS 95 H HIS 95 7.601 17.477 10.864 713 HA HIS 95 HA HIS 95 5.914 15.129 11.279 714 HB2 HIS 95 1HB HIS 95 4.880 17.939 11.024 715 HB3 HIS 95 2HB HIS 95 4.159 16.563 11.835 716 HD1 HIS 95 1HD HIS 95 7.295 18.746 12.245 717 HD2 HIS 95 2HD HIS 95 4.487 16.641 14.542 718 HE1 HIS 95 1HE HIS 95 7.869 19.218 14.686 719 H THR 96 H THR 96 7.650 15.924 8.849 720 HA THR 96 HA THR 96 5.448 15.772 6.902 721 HB THR 96 HB THR 96 7.049 17.156 5.417 722 HG1 THR 96 1HG THR 96 8.504 18.412 7.054 723 HG21 THR 96 1HG2 THR 96 6.573 19.331 6.557 724 HG22 THR 96 2HG2 THR 96 5.127 18.292 6.546 725 HG23 THR 96 3HG2 THR 96 6.099 18.449 8.029 726 H PHE 97 H PHE 97 5.613 14.242 5.325 727 HA PHE 97 HA PHE 97 8.172 12.886 5.056 728 HB2 PHE 97 1HB PHE 97 6.844 11.653 6.789 729 HB3 PHE 97 2HB PHE 97 5.439 11.652 5.742 730 HD1 PHE 97 1HD PHE 97 9.028 10.621 5.493 731 HD2 PHE 97 2HD PHE 97 4.968 9.641 4.742 732 HE1 PHE 97 1HE PHE 97 9.738 8.409 4.543 733 HE2 PHE 97 2HE PHE 97 5.678 7.429 3.791 734 HZ PHE 97 HZ PHE 97 8.055 6.840 3.703 735 H ALA 98 H ALA 98 8.611 12.393 2.941 736 HA ALA 98 HA ALA 98 6.399 11.980 1.117 737 HB1 ALA 98 1HB ALA 98 8.441 13.968 0.212 738 HB2 ALA 98 2HB ALA 98 6.712 13.841 -0.191 739 HB3 ALA 98 3HB ALA 98 7.214 14.534 1.370 740 H PHE 99 H PHE 99 7.052 10.840 -0.800 741 HA PHE 99 HA PHE 99 9.865 10.091 -0.908 742 HB2 PHE 99 1HB PHE 99 9.144 7.684 -1.053 743 HB3 PHE 99 2HB PHE 99 8.651 8.381 0.477 744 HD1 PHE 99 1HD PHE 99 7.443 7.381 -2.866 745 HD2 PHE 99 2HD PHE 99 6.357 8.546 1.067 746 HE1 PHE 99 1HE PHE 99 5.069 6.702 -3.320 747 HE2 PHE 99 2HE PHE 99 3.984 7.867 0.613 748 HZ PHE 99 HZ PHE 99 3.368 6.953 -1.575 749 H ILE 100 H ILE 100 10.593 9.548 -3.003 750 HA ILE 100 HA ILE 100 8.750 10.342 -5.096 751 HB ILE 100 HB ILE 100 11.697 9.698 -5.226 752 HG12 ILE 100 1HG1 ILE 100 10.327 12.386 -4.916 753 HG13 ILE 100 2HG1 ILE 100 11.231 11.552 -3.668 754 HG21 ILE 100 1HG2 ILE 100 11.546 11.104 -7.317 755 HG22 ILE 100 2HG2 ILE 100 10.765 9.506 -7.399 756 HG23 ILE 100 3HG2 ILE 100 9.776 10.971 -7.184 757 HD11 ILE 100 1HD1 ILE 100 13.190 11.508 -5.419 758 HD12 ILE 100 2HD1 ILE 100 12.258 12.783 -6.239 759 HD13 ILE 100 3HD1 ILE 100 12.831 13.033 -4.573 760 H MET 101 H MET 101 7.530 8.877 -6.147 761 HA MET 101 HA MET 101 8.505 6.131 -6.104 762 HB2 MET 101 1HB MET 101 6.175 5.462 -6.244 763 HB3 MET 101 2HB MET 101 6.225 6.756 -5.063 764 HG2 MET 101 1HG MET 101 5.567 8.396 -6.856 765 HG3 MET 101 2HG MET 101 5.478 7.082 -8.011 766 HE1 MET 101 1HE MET 101 4.193 4.647 -6.314 767 HE2 MET 101 2HE MET 101 2.525 4.948 -6.861 768 HE3 MET 101 3HE MET 101 3.886 5.185 -7.983 769 H ASP 102 H ASP 102 7.793 4.784 -8.098 770 HA ASP 102 HA ASP 102 8.176 6.476 -10.441 771 HB2 ASP 102 1HB ASP 102 10.051 4.946 -10.107 772 HB3 ASP 102 2HB ASP 102 8.970 3.587 -9.871 773 H THR 103 H THR 103 6.560 6.347 -12.043 774 HA THR 103 HA THR 103 4.562 4.204 -11.710 775 HB THR 103 HB THR 103 2.921 5.947 -12.520 776 HG1 THR 103 1HG THR 103 5.191 7.715 -12.001 777 HG21 THR 103 1HG2 THR 103 2.932 7.400 -10.515 778 HG22 THR 103 2HG2 THR 103 3.300 5.727 -10.032 779 HG23 THR 103 3HG2 THR 103 4.610 6.926 -10.158 780 H GLY 104 H GLY 104 5.933 6.563 -14.104 781 HA2 GLY 104 1HA GLY 104 5.685 4.405 -16.115 782 HA3 GLY 104 2HA GLY 104 5.334 6.088 -16.458 783 H ASN 105 H ASN 105 6.979 6.158 -18.116 784 HA ASN 105 HA ASN 105 9.652 5.540 -17.380 785 HB2 ASN 105 1HB ASN 105 8.359 6.807 -19.841 786 HB3 ASN 105 2HB ASN 105 10.099 6.646 -19.705 787 HD21 ASN 105 1HD2 ASN 105 7.444 5.285 -20.966 788 HD22 ASN 105 2HD2 ASN 105 7.905 3.618 -21.062 789 H GLN 106 H GLN 106 11.165 7.019 -16.556 790 HA GLN 106 HA GLN 106 11.902 8.848 -15.624 791 HB2 GLN 106 1HB GLN 106 10.859 10.112 -18.197 792 HB3 GLN 106 2HB GLN 106 12.006 10.871 -17.111 793 HG2 GLN 106 1HG GLN 106 13.733 9.363 -17.645 794 HG3 GLN 106 2HG GLN 106 12.624 8.092 -18.120 795 HE21 GLN 106 1HE2 GLN 106 14.896 9.134 -19.547 796 HE22 GLN 106 2HE2 GLN 106 14.343 9.741 -21.072 797 H ARG 107 H ARG 107 8.974 8.113 -15.183 798 HA ARG 107 HA ARG 107 8.005 10.777 -14.541 799 HB2 ARG 107 1HB ARG 107 6.717 8.286 -15.476 800 HB3 ARG 107 2HB ARG 107 5.904 8.956 -14.076 801 HG2 ARG 107 1HG ARG 107 6.466 10.362 -16.724 802 HG3 ARG 107 2HG ARG 107 4.899 9.929 -16.070 803 HD2 ARG 107 1HD ARG 107 5.931 11.466 -14.007 804 HD3 ARG 107 2HD ARG 107 6.650 12.245 -15.403 805 HE ARG 107 HE ARG 107 3.950 11.856 -16.083 806 HH11 ARG 107 2HH2 ARG 107 5.732 13.566 -13.576 807 HH12 ARG 107 1HH2 ARG 107 4.522 14.789 -13.372 808 HH21 ARG 107 2HH1 ARG 107 2.354 13.469 -15.813 809 HH22 ARG 107 1HH1 ARG 107 2.588 14.733 -14.653 810 H PHE 108 H PHE 108 7.711 11.351 -12.376 811 HA PHE 108 HA PHE 108 7.738 9.199 -10.407 812 HB2 PHE 108 1HB PHE 108 9.411 11.778 -10.305 813 HB3 PHE 108 2HB PHE 108 9.463 10.480 -9.129 814 HD1 PHE 108 1HD PHE 108 9.830 8.063 -10.497 815 HD2 PHE 108 2HD PHE 108 11.313 11.888 -11.583 816 HE1 PHE 108 1HE PHE 108 11.694 6.976 -11.778 817 HE2 PHE 108 2HE PHE 108 13.178 10.801 -12.865 818 HZ PHE 108 HZ PHE 108 13.346 8.358 -12.947 819 H GLU 109 H GLU 109 6.799 9.806 -8.338 820 HA GLU 109 HA GLU 109 5.503 12.400 -8.356 821 HB2 GLU 109 1HB GLU 109 4.002 9.850 -7.635 822 HB3 GLU 109 2HB GLU 109 3.340 11.467 -7.763 823 HG2 GLU 109 1HG GLU 109 3.686 11.515 -10.170 824 HG3 GLU 109 2HG GLU 109 4.655 10.055 -10.124 825 H CYS 110 H CYS 110 5.903 13.434 -6.448 826 HA CYS 110 HA CYS 110 6.885 11.800 -4.257 827 HB2 CYS 110 1HB CYS 110 8.246 13.730 -5.000 828 HB3 CYS 110 2HB CYS 110 6.925 14.815 -4.613 829 HG CYS 110 HG CYS 110 7.564 12.665 -2.305 830 H HIS 111 H HIS 111 5.258 11.045 -2.931 831 HA HIS 111 HA HIS 111 2.860 12.638 -2.662 832 HB2 HIS 111 1HB HIS 111 3.599 9.869 -1.680 833 HB3 HIS 111 2HB HIS 111 2.056 10.640 -1.372 834 HD1 HIS 111 1HD HIS 111 0.288 10.497 -3.189 835 HD2 HIS 111 2HD HIS 111 4.088 9.313 -4.512 836 HE1 HIS 111 1HE HIS 111 -0.042 9.507 -5.518 837 H VAL 112 H VAL 112 3.069 14.349 -1.280 838 HA VAL 112 HA VAL 112 4.772 14.110 1.028 839 HB VAL 112 HB VAL 112 2.972 16.316 0.008 840 HG11 VAL 112 1HG1 VAL 112 3.643 17.693 1.710 841 HG12 VAL 112 2HG1 VAL 112 3.677 16.137 2.574 842 HG13 VAL 112 3HG1 VAL 112 5.187 16.839 1.946 843 HG21 VAL 112 1HG2 VAL 112 5.219 17.378 -0.545 844 HG22 VAL 112 2HG2 VAL 112 5.939 15.774 -0.267 845 HG23 VAL 112 3HG2 VAL 112 4.730 15.996 -1.555 846 H PHE 113 H PHE 113 4.118 14.018 3.198 847 HA PHE 113 HA PHE 113 1.262 13.924 3.712 848 HB2 PHE 113 1HB PHE 113 3.331 11.730 4.328 849 HB3 PHE 113 2HB PHE 113 1.711 11.733 4.995 850 HD1 PHE 113 1HD PHE 113 -0.251 11.594 3.379 851 HD2 PHE 113 2HD PHE 113 3.752 10.822 2.202 852 HE1 PHE 113 1HE PHE 113 -1.083 10.354 1.362 853 HE2 PHE 113 2HE PHE 113 2.920 9.583 0.184 854 HZ PHE 113 HZ PHE 113 0.512 9.363 -0.212 855 H TRP 114 H TRP 114 0.865 13.717 6.176 856 HA TRP 114 HA TRP 114 3.047 15.107 7.578 857 HB2 TRP 114 1HB TRP 114 1.198 16.617 7.106 858 HB3 TRP 114 2HB TRP 114 0.063 15.507 7.848 859 HD1 TRP 114 HD TRP 114 0.571 15.081 10.644 860 HE1 TRP 114 1HE TRP 114 1.274 16.788 12.530 861 HE3 TRP 114 3HE TRP 114 2.412 18.618 7.489 862 HZ2 TRP 114 2HZ TRP 114 2.494 19.367 12.491 863 HZ3 TRP 114 3HZ TRP 114 3.342 20.701 8.495 864 HH2 TRP 114 HH TRP 114 3.401 21.105 10.905 865 H CYS 115 H CYS 115 3.956 13.691 9.009 866 HA CYS 115 HA CYS 115 2.190 11.658 10.147 867 HB2 CYS 115 1HB CYS 115 5.209 11.585 10.242 868 HB3 CYS 115 2HB CYS 115 4.076 10.265 10.455 869 HG CYS 115 HG CYS 115 4.893 11.992 7.767 870 H GLU 116 H GLU 116 2.140 11.398 12.460 871 HA GLU 116 HA GLU 116 3.573 13.463 13.925 872 HB2 GLU 116 1HB GLU 116 0.724 12.685 14.632 873 HB3 GLU 116 2HB GLU 116 1.639 14.069 15.198 874 HG2 GLU 116 1HG GLU 116 0.630 15.255 13.541 875 HG3 GLU 116 2HG GLU 116 1.688 14.413 12.427 876 HA PRO 117 HA PRO 117 3.532 13.967 15.934 877 HB2 PRO 117 1HB PRO 117 5.580 14.031 17.742 878 HB3 PRO 117 2HB PRO 117 3.894 13.925 18.208 879 HG2 PRO 117 1HG PRO 117 5.958 11.808 18.221 880 HG3 PRO 117 2HG PRO 117 4.420 11.848 19.061 881 HD2 PRO 117 1HD PRO 117 5.040 10.365 16.685 882 HD3 PRO 117 2HD PRO 117 3.474 10.497 17.459 883 H ASN 118 H ASN 118 5.699 11.698 14.746 884 HA ASN 118 HA ASN 118 6.916 13.806 13.220 885 HB2 ASN 118 1HB ASN 118 9.098 12.092 13.871 886 HB3 ASN 118 2HB ASN 118 8.896 13.763 14.359 887 HD21 ASN 118 1HD2 ASN 118 9.665 10.913 15.523 888 HD22 ASN 118 2HD2 ASN 118 9.002 10.952 17.123 889 H ALA 119 H ALA 119 8.129 12.837 11.299 890 HA ALA 119 HA ALA 119 6.837 10.367 10.496 891 HB1 ALA 119 1HB ALA 119 8.437 12.531 9.096 892 HB2 ALA 119 2HB ALA 119 7.998 11.007 8.287 893 HB3 ALA 119 3HB ALA 119 6.724 12.101 8.877 894 H ALA 120 H ALA 120 8.643 9.999 12.638 895 HA ALA 120 HA ALA 120 11.120 9.081 11.428 896 HB1 ALA 120 1HB ALA 120 10.436 10.224 13.877 897 HB2 ALA 120 2HB ALA 120 10.682 8.506 14.272 898 HB3 ALA 120 3HB ALA 120 11.981 9.432 13.484 899 H ASN 121 H ASN 121 8.200 7.834 13.154 900 HA ASN 121 HA ASN 121 9.103 5.166 12.987 901 HB2 ASN 121 1HB ASN 121 6.725 6.636 13.992 902 HB3 ASN 121 2HB ASN 121 6.317 5.065 13.331 903 HD21 ASN 121 1HD2 ASN 121 5.798 5.212 15.833 904 HD22 ASN 121 2HD2 ASN 121 6.963 4.446 16.860 905 H VAL 122 H VAL 122 6.775 7.301 11.218 906 HA VAL 122 HA VAL 122 5.691 5.356 9.546 907 HB VAL 122 HB VAL 122 5.953 8.327 9.551 908 HG11 VAL 122 1HG1 VAL 122 6.162 8.296 7.284 909 HG12 VAL 122 2HG1 VAL 122 5.482 6.658 7.130 910 HG13 VAL 122 3HG1 VAL 122 4.401 8.052 7.371 911 HG21 VAL 122 1HG2 VAL 122 3.817 8.266 10.240 912 HG22 VAL 122 2HG2 VAL 122 3.354 7.080 8.996 913 HG23 VAL 122 3HG2 VAL 122 4.093 6.530 10.518 914 H SER 123 H SER 123 8.274 7.808 8.791 915 HA SER 123 HA SER 123 8.930 6.847 6.355 916 HB2 SER 123 1HB SER 123 9.870 8.919 7.147 917 HB3 SER 123 2HB SER 123 10.642 8.137 8.511 918 HG SER 123 HG SER 123 12.352 7.817 7.279 919 H GLU 124 H GLU 124 9.990 5.701 9.596 920 HA GLU 124 HA GLU 124 11.934 3.949 8.618 921 HB2 GLU 124 1HB GLU 124 10.510 4.386 11.223 922 HB3 GLU 124 2HB GLU 124 11.312 2.843 11.011 923 HG2 GLU 124 1HG GLU 124 12.776 5.420 10.353 924 HG3 GLU 124 2HG GLU 124 12.663 4.875 12.015 925 H ALA 125 H ALA 125 8.550 3.379 9.831 926 HA ALA 125 HA ALA 125 8.396 0.694 9.414 927 HB1 ALA 125 1HB ALA 125 6.143 0.995 9.751 928 HB2 ALA 125 2HB ALA 125 6.701 2.610 10.250 929 HB3 ALA 125 3HB ALA 125 6.045 2.362 8.614 930 H VAL 126 H VAL 126 8.187 3.362 7.021 931 HA VAL 126 HA VAL 126 7.406 1.647 4.891 932 HB VAL 126 HB VAL 126 8.555 4.442 4.980 933 HG11 VAL 126 1HG1 VAL 126 8.624 4.511 2.747 934 HG12 VAL 126 2HG1 VAL 126 8.437 2.741 2.763 935 HG13 VAL 126 3HG1 VAL 126 7.005 3.786 2.607 936 HG21 VAL 126 1HG2 VAL 126 5.699 3.506 4.550 937 HG22 VAL 126 2HG2 VAL 126 6.348 4.134 6.084 938 HG23 VAL 126 3HG2 VAL 126 6.271 5.189 4.652 939 H GLN 127 H GLN 127 10.514 3.148 5.987 940 HA GLN 127 HA GLN 127 12.045 2.180 3.921 941 HB2 GLN 127 1HB GLN 127 12.781 2.787 6.816 942 HB3 GLN 127 2HB GLN 127 13.967 2.465 5.566 943 HG2 GLN 127 1HG GLN 127 12.069 4.447 4.598 944 HG3 GLN 127 2HG GLN 127 12.683 4.952 6.160 945 HE21 GLN 127 1HE2 GLN 127 14.927 5.187 6.483 946 HE22 GLN 127 2HE2 GLN 127 16.017 5.484 5.170 947 H ALA 128 H ALA 128 11.417 0.761 7.205 948 HA ALA 128 HA ALA 128 12.982 -1.467 7.014 949 HB1 ALA 128 1HB ALA 128 12.057 -1.616 9.056 950 HB2 ALA 128 2HB ALA 128 10.747 -0.505 8.590 951 HB3 ALA 128 3HB ALA 128 10.580 -2.252 8.293 952 H ALA 129 H ALA 129 9.998 -0.667 5.296 953 HA ALA 129 HA ALA 129 9.429 -3.357 4.531 954 HB1 ALA 129 1HB ALA 129 8.324 -1.286 2.802 955 HB2 ALA 129 2HB ALA 129 7.487 -2.410 3.900 956 HB3 ALA 129 3HB ALA 129 8.121 -0.867 4.520 957 H CYS 130 H CYS 130 10.915 -0.454 2.945 958 HA CYS 130 HA CYS 130 11.382 -1.682 0.505 959 HB2 CYS 130 1HB CYS 130 11.499 0.786 1.009 960 HB3 CYS 130 2HB CYS 130 13.058 0.513 1.762 961 HG CYS 130 HG CYS 130 13.287 -1.147 -0.771 962 H SER 131 H SER 131 13.678 -1.045 3.268 963 HA SER 131 HA SER 131 15.799 -2.403 2.302 964 HB2 SER 131 1HB SER 131 14.873 -1.453 4.901 965 HB3 SER 131 2HB SER 131 15.753 -2.956 5.089 966 HG SER 131 HG SER 131 16.668 -0.483 3.923 967 H GLY 132 H GLY 132 13.086 -3.699 4.341 968 HA2 GLY 132 1HA GLY 132 12.130 -5.811 3.909 969 HA3 GLY 132 2HA GLY 132 13.652 -6.371 3.245 970 HA PRO 133 HA PRO 133 13.314 -7.223 7.836 971 HB2 PRO 133 1HB PRO 133 11.983 -9.606 7.969 972 HB3 PRO 133 2HB PRO 133 11.209 -8.059 8.253 973 HG2 PRO 133 1HG PRO 133 11.026 -9.815 5.882 974 HG3 PRO 133 2HG PRO 133 9.962 -8.510 6.366 975 HD2 PRO 133 1HD PRO 133 11.950 -8.427 4.300 976 HD3 PRO 133 2HD PRO 133 10.967 -7.090 4.863 977 H SER 134 H SER 134 15.297 -7.745 8.480 978 HA SER 134 HA SER 134 17.143 -8.871 8.646 979 HB2 SER 134 1HB SER 134 15.170 -11.034 8.064 980 HB3 SER 134 2HB SER 134 16.849 -11.469 7.814 981 HG SER 134 HG SER 134 16.861 -10.183 10.134 982 H SER 135 H SER 135 18.815 -8.365 7.284 983 HA SER 135 HA SER 135 20.002 -8.110 5.485 984 HB2 SER 135 1HB SER 135 18.793 -10.820 5.096 985 HB3 SER 135 2HB SER 135 19.551 -10.110 3.685 986 HG SER 135 HG SER 135 20.718 -10.908 6.164 987 H GLY 136 H GLY 136 17.594 -9.806 3.467 988 HA2 GLY 136 1HA GLY 136 16.262 -7.370 2.654 989 HA3 GLY 136 2HA GLY 136 17.372 -8.020 1.464 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -26.191 -8.739 -7.643 2 HA2 GLY 1 1HA GLY 1 -25.579 -6.253 -6.724 3 HA3 GLY 1 2HA GLY 1 -25.745 -7.197 -5.257 4 H SER 2 H SER 2 -23.300 -5.964 -6.481 5 HA SER 2 HA SER 2 -21.679 -8.304 -6.250 6 HB2 SER 2 1HB SER 2 -22.376 -7.890 -8.776 7 HB3 SER 2 2HB SER 2 -21.179 -6.613 -8.708 8 HG SER 2 HG SER 2 -19.811 -8.203 -9.175 9 H SER 3 H SER 3 -19.553 -7.776 -5.519 10 HA SER 3 HA SER 3 -19.207 -4.923 -5.029 11 HB2 SER 3 1HB SER 3 -18.768 -7.352 -3.367 12 HB3 SER 3 2HB SER 3 -17.475 -6.172 -3.278 13 HG SER 3 HG SER 3 -18.781 -5.281 -1.809 14 H GLY 4 H GLY 4 -17.381 -8.027 -5.567 15 HA2 GLY 4 1HA GLY 4 -15.562 -8.465 -6.820 16 HA3 GLY 4 2HA GLY 4 -15.781 -6.926 -7.629 17 H SER 5 H SER 5 -13.592 -6.283 -7.629 18 HA SER 5 HA SER 5 -11.893 -5.171 -6.834 19 HB2 SER 5 1HB SER 5 -13.830 -4.722 -4.797 20 HB3 SER 5 2HB SER 5 -12.353 -5.148 -3.957 21 HG SER 5 HG SER 5 -12.772 -2.998 -5.837 22 H SER 6 H SER 6 -12.892 -7.458 -4.174 23 HA SER 6 HA SER 6 -11.913 -9.193 -3.308 24 HB2 SER 6 1HB SER 6 -10.947 -9.236 -6.023 25 HB3 SER 6 2HB SER 6 -9.623 -9.711 -4.978 26 HG SER 6 HG SER 6 -11.619 -11.064 -3.970 27 H GLY 7 H GLY 7 -10.345 -9.499 -1.664 28 HA2 GLY 7 1HA GLY 7 -7.913 -7.889 -1.735 29 HA3 GLY 7 2HA GLY 7 -9.071 -7.510 -0.475 30 HA PRO 8 HA PRO 8 -7.326 -11.887 0.236 31 HB2 PRO 8 1HB PRO 8 -4.946 -12.497 -0.960 32 HB3 PRO 8 2HB PRO 8 -6.498 -12.994 -1.605 33 HG2 PRO 8 1HG PRO 8 -4.698 -10.851 -2.555 34 HG3 PRO 8 2HG PRO 8 -6.012 -11.638 -3.406 35 HD2 PRO 8 1HD PRO 8 -6.057 -9.028 -2.218 36 HD3 PRO 8 2HD PRO 8 -7.404 -9.862 -2.967 37 H THR 9 H THR 9 -4.404 -10.018 -0.463 38 HA THR 9 HA THR 9 -2.697 -9.516 0.904 39 HB THR 9 HB THR 9 -3.470 -8.045 2.807 40 HG1 THR 9 1HG THR 9 -5.312 -9.248 3.487 41 HG21 THR 9 1HG2 THR 9 -5.543 -7.476 0.721 42 HG22 THR 9 2HG2 THR 9 -4.321 -6.390 1.424 43 HG23 THR 9 3HG2 THR 9 -3.864 -7.529 0.134 44 HA PRO 10 HA PRO 10 -2.655 -13.170 3.422 45 HB2 PRO 10 1HB PRO 10 -0.175 -14.034 2.666 46 HB3 PRO 10 2HB PRO 10 -1.650 -14.539 1.866 47 HG2 PRO 10 1HG PRO 10 0.396 -12.617 0.940 48 HG3 PRO 10 2HG PRO 10 -0.834 -13.446 0.007 49 HD2 PRO 10 1HD PRO 10 -0.879 -10.706 0.856 50 HD3 PRO 10 2HD PRO 10 -2.159 -11.566 0.024 51 H LYS 11 H LYS 11 -0.595 -10.460 3.151 52 HA LYS 11 HA LYS 11 0.625 -9.380 4.638 53 HB2 LYS 11 1HB LYS 11 -1.189 -10.914 6.493 54 HB3 LYS 11 2HB LYS 11 0.075 -9.882 7.129 55 HG2 LYS 11 1HG LYS 11 -1.059 -7.975 6.598 56 HG3 LYS 11 2HG LYS 11 -1.435 -8.545 4.984 57 HD2 LYS 11 1HD LYS 11 -3.572 -8.423 5.951 58 HD3 LYS 11 2HD LYS 11 -3.176 -10.114 6.186 59 HE2 LYS 11 1HE LYS 11 -3.590 -9.781 8.399 60 HE3 LYS 11 2HE LYS 11 -2.075 -8.904 8.459 61 HZ1 LYS 11 1HZ LYS 11 -3.452 -6.942 7.702 62 HZ2 LYS 11 2HZ LYS 11 -4.766 -7.817 8.119 63 HZ3 LYS 11 3HZ LYS 11 -3.648 -7.434 9.247 64 H THR 12 H THR 12 2.760 -9.561 5.155 65 HA THR 12 HA THR 12 3.717 -12.292 5.713 66 HB THR 12 HB THR 12 4.460 -11.522 3.513 67 HG1 THR 12 1HG THR 12 6.725 -11.623 4.055 68 HG21 THR 12 1HG2 THR 12 4.212 -9.092 3.667 69 HG22 THR 12 2HG2 THR 12 5.342 -9.020 5.040 70 HG23 THR 12 3HG2 THR 12 5.940 -9.438 3.417 71 H GLU 13 H GLU 13 3.273 -9.115 6.947 72 HA GLU 13 HA GLU 13 4.536 -9.882 9.344 73 HB2 GLU 13 1HB GLU 13 6.228 -8.616 7.455 74 HB3 GLU 13 2HB GLU 13 5.828 -7.365 8.615 75 HG2 GLU 13 1HG GLU 13 6.476 -8.948 10.482 76 HG3 GLU 13 2HG GLU 13 6.967 -10.122 9.277 77 H LEU 14 H LEU 14 1.909 -9.289 8.858 78 HA LEU 14 HA LEU 14 0.224 -8.028 9.520 79 HB2 LEU 14 1HB LEU 14 2.067 -7.887 11.526 80 HB3 LEU 14 2HB LEU 14 1.796 -6.188 11.195 81 HG LEU 14 HG LEU 14 -0.777 -7.282 11.293 82 HD11 LEU 14 1HD1 LEU 14 0.591 -9.270 12.362 83 HD12 LEU 14 2HD1 LEU 14 0.537 -8.231 13.806 84 HD13 LEU 14 3HD1 LEU 14 -0.976 -8.757 13.031 85 HD21 LEU 14 1HD2 LEU 14 -0.307 -5.101 12.096 86 HD22 LEU 14 2HD2 LEU 14 -0.879 -6.044 13.493 87 HD23 LEU 14 3HD2 LEU 14 0.858 -5.712 13.295 88 H VAL 15 H VAL 15 -0.220 -5.341 9.983 89 HA VAL 15 HA VAL 15 1.022 -4.001 7.695 90 HB VAL 15 HB VAL 15 -1.934 -4.219 8.293 91 HG11 VAL 15 1HG1 VAL 15 -0.577 -2.018 7.208 92 HG12 VAL 15 2HG1 VAL 15 -1.259 -2.877 5.806 93 HG13 VAL 15 3HG1 VAL 15 -2.324 -2.351 7.132 94 HG21 VAL 15 1HG2 VAL 15 -1.581 -6.103 7.062 95 HG22 VAL 15 2HG2 VAL 15 -1.698 -4.944 5.716 96 HG23 VAL 15 3HG2 VAL 15 -0.102 -5.468 6.303 97 H GLN 16 H GLN 16 1.382 -1.787 7.991 98 HA GLN 16 HA GLN 16 0.703 -0.867 10.675 99 HB2 GLN 16 1HB GLN 16 3.180 -0.706 9.044 100 HB3 GLN 16 2HB GLN 16 2.743 0.799 9.828 101 HG2 GLN 16 1HG GLN 16 2.584 -0.382 12.024 102 HG3 GLN 16 2HG GLN 16 3.000 -1.896 11.246 103 HE21 GLN 16 1HE2 GLN 16 5.049 -1.948 10.015 104 HE22 GLN 16 2HE2 GLN 16 6.426 -1.108 10.647 105 H LYS 17 H LYS 17 -1.020 0.513 10.604 106 HA LYS 17 HA LYS 17 -1.177 2.305 8.284 107 HB2 LYS 17 1HB LYS 17 -3.247 0.897 9.932 108 HB3 LYS 17 2HB LYS 17 -3.650 2.450 9.228 109 HG2 LYS 17 1HG LYS 17 -3.221 1.667 6.986 110 HG3 LYS 17 2HG LYS 17 -2.404 0.228 7.561 111 HD2 LYS 17 1HD LYS 17 -5.357 0.819 8.073 112 HD3 LYS 17 2HD LYS 17 -4.778 -0.167 6.745 113 HE2 LYS 17 1HE LYS 17 -4.332 -1.965 8.102 114 HE3 LYS 17 2HE LYS 17 -3.652 -0.967 9.371 115 HZ1 LYS 17 1HZ LYS 17 -5.638 -0.757 10.355 116 HZ2 LYS 17 2HZ LYS 17 -6.493 -0.722 8.964 117 HZ3 LYS 17 3HZ LYS 17 -5.982 -2.149 9.573 118 H PHE 18 H PHE 18 -0.733 4.412 8.629 119 HA PHE 18 HA PHE 18 -1.007 5.365 11.393 120 HB2 PHE 18 1HB PHE 18 1.037 5.924 9.166 121 HB3 PHE 18 2HB PHE 18 0.932 6.930 10.597 122 HD1 PHE 18 2HD PHE 18 1.234 5.761 12.876 123 HD2 PHE 18 1HD PHE 18 2.358 4.001 9.182 124 HE1 PHE 18 2HE PHE 18 2.776 4.196 14.091 125 HE2 PHE 18 1HE PHE 18 3.901 2.437 10.397 126 HZ PHE 18 HZ PHE 18 4.091 2.553 12.836 127 H ARG 19 H ARG 19 -2.592 6.871 11.573 128 HA ARG 19 HA ARG 19 -3.799 7.958 9.327 129 HB2 ARG 19 1HB ARG 19 -5.150 7.818 11.281 130 HB3 ARG 19 2HB ARG 19 -3.917 8.527 12.305 131 HG2 ARG 19 1HG ARG 19 -4.543 10.678 11.801 132 HG3 ARG 19 2HG ARG 19 -4.804 10.316 10.106 133 HD2 ARG 19 1HD ARG 19 -7.029 9.638 10.442 134 HD3 ARG 19 2HD ARG 19 -6.748 9.157 12.104 135 HE ARG 19 HE ARG 19 -6.436 12.043 11.605 136 HH11 ARG 19 2HH2 ARG 19 -8.632 9.461 12.552 137 HH12 ARG 19 1HH2 ARG 19 -9.740 10.524 13.354 138 HH21 ARG 19 2HH1 ARG 19 -7.898 13.446 12.662 139 HH22 ARG 19 1HH1 ARG 19 -9.320 12.806 13.416 140 H VAL 20 H VAL 20 -2.739 9.381 7.963 141 HA VAL 20 HA VAL 20 -1.447 11.681 9.241 142 HB VAL 20 HB VAL 20 0.345 11.584 7.617 143 HG11 VAL 20 1HG1 VAL 20 0.001 9.855 9.787 144 HG12 VAL 20 2HG1 VAL 20 0.639 8.821 8.486 145 HG13 VAL 20 3HG1 VAL 20 1.534 10.276 8.987 146 HG21 VAL 20 1HG2 VAL 20 -0.639 10.610 5.695 147 HG22 VAL 20 2HG2 VAL 20 0.601 9.454 6.236 148 HG23 VAL 20 3HG2 VAL 20 -1.117 9.143 6.582 149 H GLN 21 H GLN 21 -1.317 13.592 7.759 150 HA GLN 21 HA GLN 21 -3.763 13.688 6.251 151 HB2 GLN 21 1HB GLN 21 -1.836 15.715 7.374 152 HB3 GLN 21 2HB GLN 21 -2.866 16.204 6.044 153 HG2 GLN 21 1HG GLN 21 -4.885 15.552 7.311 154 HG3 GLN 21 2HG GLN 21 -3.901 14.916 8.614 155 HE21 GLN 21 1HE2 GLN 21 -5.275 17.688 7.134 156 HE22 GLN 21 2HE2 GLN 21 -4.754 18.892 8.264 157 H TYR 22 H TYR 22 -3.907 14.226 4.007 158 HA TYR 22 HA TYR 22 -1.465 13.592 2.542 159 HB2 TYR 22 1HB TYR 22 -3.964 12.618 2.340 160 HB3 TYR 22 2HB TYR 22 -4.291 14.110 1.480 161 HD1 TYR 22 1HD TYR 22 -1.063 13.691 0.577 162 HD2 TYR 22 2HD TYR 22 -4.818 11.712 0.042 163 HE1 TYR 22 1HE TYR 22 -0.209 12.636 -1.574 164 HE2 TYR 22 2HE TYR 22 -3.952 10.664 -2.106 165 HH TYR 22 HH TYR 22 -1.633 11.714 -3.814 166 H LEU 23 H LEU 23 -0.194 15.343 2.107 167 HA LEU 23 HA LEU 23 -1.304 17.949 1.884 168 HB2 LEU 23 1HB LEU 23 1.385 16.691 1.711 169 HB3 LEU 23 2HB LEU 23 1.177 18.250 0.938 170 HG LEU 23 HG LEU 23 0.036 18.702 3.397 171 HD11 LEU 23 1HD1 LEU 23 2.516 17.438 4.328 172 HD12 LEU 23 2HD1 LEU 23 0.892 17.472 5.057 173 HD13 LEU 23 3HD1 LEU 23 1.273 16.285 3.785 174 HD21 LEU 23 1HD2 LEU 23 2.972 19.146 3.162 175 HD22 LEU 23 2HD2 LEU 23 1.922 19.862 1.916 176 HD23 LEU 23 3HD2 LEU 23 1.670 20.265 3.631 177 H GLY 24 H GLY 24 -0.112 15.444 -0.418 178 HA2 GLY 24 1HA GLY 24 -1.706 15.593 -2.452 179 HA3 GLY 24 2HA GLY 24 -0.944 17.157 -2.658 180 H MET 25 H MET 25 -0.808 14.925 -4.533 181 HA MET 25 HA MET 25 1.879 13.930 -4.177 182 HB2 MET 25 1HB MET 25 -0.191 12.552 -4.984 183 HB3 MET 25 2HB MET 25 -0.049 13.419 -6.500 184 HG2 MET 25 1HG MET 25 2.494 12.631 -6.388 185 HG3 MET 25 2HG MET 25 1.877 11.428 -5.273 186 HE1 MET 25 1HE MET 25 -0.435 12.543 -8.729 187 HE2 MET 25 2HE MET 25 1.087 13.353 -8.287 188 HE3 MET 25 3HE MET 25 1.064 12.163 -9.611 189 H LEU 26 H LEU 26 3.513 15.272 -4.827 190 HA LEU 26 HA LEU 26 3.032 16.844 -7.260 191 HB2 LEU 26 1HB LEU 26 3.563 17.851 -4.865 192 HB3 LEU 26 2HB LEU 26 5.213 17.493 -5.334 193 HG LEU 26 HG LEU 26 3.625 18.937 -7.372 194 HD11 LEU 26 1HD1 LEU 26 2.912 19.858 -5.069 195 HD12 LEU 26 2HD1 LEU 26 4.557 20.534 -4.996 196 HD13 LEU 26 3HD1 LEU 26 3.459 21.004 -6.316 197 HD21 LEU 26 1HD2 LEU 26 6.251 19.875 -6.311 198 HD22 LEU 26 2HD2 LEU 26 6.203 18.327 -7.189 199 HD23 LEU 26 3HD2 LEU 26 5.636 19.817 -7.980 200 HA PRO 27 HA PRO 27 6.088 14.405 -9.110 201 HB2 PRO 27 1HB PRO 27 6.543 15.882 -11.363 202 HB3 PRO 27 2HB PRO 27 5.199 14.769 -11.202 203 HG2 PRO 27 1HG PRO 27 5.182 17.723 -11.095 204 HG3 PRO 27 2HG PRO 27 3.842 16.627 -11.362 205 HD2 PRO 27 1HD PRO 27 4.457 18.027 -8.936 206 HD3 PRO 27 2HD PRO 27 3.186 16.843 -9.169 207 H VAL 28 H VAL 28 8.356 14.364 -9.950 208 HA VAL 28 HA VAL 28 9.865 16.687 -9.130 209 HB VAL 28 HB VAL 28 11.220 15.568 -7.533 210 HG11 VAL 28 1HG1 VAL 28 9.660 15.181 -5.727 211 HG12 VAL 28 2HG1 VAL 28 9.043 16.503 -6.747 212 HG13 VAL 28 3HG1 VAL 28 8.338 14.874 -6.879 213 HG21 VAL 28 1HG2 VAL 28 11.291 13.349 -8.579 214 HG22 VAL 28 2HG2 VAL 28 10.877 13.233 -6.852 215 HG23 VAL 28 3HG2 VAL 28 9.606 13.054 -8.085 216 H ASP 29 H ASP 29 11.554 16.980 -10.517 217 HA ASP 29 HA ASP 29 11.781 15.312 -12.709 218 HB2 ASP 29 1HB ASP 29 13.153 17.695 -11.606 219 HB3 ASP 29 2HB ASP 29 14.216 16.683 -12.563 220 H ARG 30 H ARG 30 13.892 15.838 -9.791 221 HA ARG 30 HA ARG 30 15.555 13.651 -10.591 222 HB2 ARG 30 1HB ARG 30 15.773 15.954 -8.830 223 HB3 ARG 30 2HB ARG 30 16.170 14.512 -7.917 224 HG2 ARG 30 1HG ARG 30 17.379 15.102 -10.654 225 HG3 ARG 30 2HG ARG 30 18.120 15.646 -9.162 226 HD2 ARG 30 1HD ARG 30 17.441 12.826 -8.913 227 HD3 ARG 30 2HD ARG 30 18.351 13.069 -10.391 228 HE ARG 30 HE ARG 30 19.344 13.393 -7.657 229 HH11 ARG 30 2HH2 ARG 30 19.830 14.318 -11.018 230 HH12 ARG 30 1HH2 ARG 30 21.508 14.694 -10.805 231 HH21 ARG 30 2HH1 ARG 30 21.557 13.889 -7.376 232 HH22 ARG 30 1HH1 ARG 30 22.496 14.448 -8.719 233 HA PRO 31 HA PRO 31 13.127 10.905 -8.152 234 HB2 PRO 31 1HB PRO 31 14.447 8.596 -8.780 235 HB3 PRO 31 2HB PRO 31 13.173 9.272 -9.775 236 HG2 PRO 31 1HG PRO 31 16.092 9.286 -10.241 237 HG3 PRO 31 2HG PRO 31 14.796 9.563 -11.388 238 HD2 PRO 31 1HD PRO 31 16.481 11.550 -10.189 239 HD3 PRO 31 2HD PRO 31 15.111 11.835 -11.244 240 H VAL 32 H VAL 32 16.300 11.809 -7.705 241 HA VAL 32 HA VAL 32 16.148 10.751 -4.990 242 HB VAL 32 HB VAL 32 18.503 10.051 -5.112 243 HG11 VAL 32 1HG1 VAL 32 16.750 8.378 -5.361 244 HG12 VAL 32 2HG1 VAL 32 16.664 8.692 -7.111 245 HG13 VAL 32 3HG1 VAL 32 18.133 7.974 -6.406 246 HG21 VAL 32 1HG2 VAL 32 19.036 11.552 -7.101 247 HG22 VAL 32 2HG2 VAL 32 19.729 9.913 -7.138 248 HG23 VAL 32 3HG2 VAL 32 18.296 10.296 -8.123 249 H GLY 33 H GLY 33 17.012 12.147 -3.443 250 HA2 GLY 33 1HA GLY 33 18.804 13.956 -3.275 251 HA3 GLY 33 2HA GLY 33 17.852 14.769 -4.501 252 H MET 34 H MET 34 18.480 15.282 -1.490 253 HA MET 34 HA MET 34 15.911 15.078 -0.282 254 HB2 MET 34 1HB MET 34 18.663 16.094 0.443 255 HB3 MET 34 2HB MET 34 17.323 16.744 1.367 256 HG2 MET 34 1HG MET 34 16.989 13.864 1.110 257 HG3 MET 34 2HG MET 34 18.605 14.203 1.697 258 HE1 MET 34 1HE MET 34 14.579 15.120 2.929 259 HE2 MET 34 2HE MET 34 15.257 13.669 2.154 260 HE3 MET 34 3HE MET 34 15.041 13.716 3.920 261 H ASP 35 H ASP 35 17.983 17.700 -1.659 262 HA ASP 35 HA ASP 35 16.610 19.870 -0.930 263 HB2 ASP 35 1HB ASP 35 18.354 19.098 -3.140 264 HB3 ASP 35 2HB ASP 35 17.146 20.230 -3.714 265 H THR 36 H THR 36 16.064 17.973 -4.005 266 HA THR 36 HA THR 36 13.755 19.308 -4.793 267 HB THR 36 HB THR 36 14.922 16.535 -5.308 268 HG1 THR 36 1HG THR 36 15.832 18.712 -6.049 269 HG21 THR 36 1HG2 THR 36 12.805 16.015 -6.113 270 HG22 THR 36 2HG2 THR 36 12.306 17.722 -6.175 271 HG23 THR 36 3HG2 THR 36 13.320 17.043 -7.471 272 H LEU 37 H LEU 37 14.165 16.404 -2.697 273 HA LEU 37 HA LEU 37 11.540 15.688 -2.468 274 HB2 LEU 37 1HB LEU 37 13.509 14.484 -1.583 275 HB3 LEU 37 2HB LEU 37 13.643 15.670 -0.299 276 HG LEU 37 HG LEU 37 11.069 14.897 0.060 277 HD11 LEU 37 1HD1 LEU 37 11.724 12.192 -0.091 278 HD12 LEU 37 2HD1 LEU 37 10.571 13.078 -1.118 279 HD13 LEU 37 3HD1 LEU 37 12.258 12.871 -1.647 280 HD21 LEU 37 1HD2 LEU 37 13.498 13.488 1.201 281 HD22 LEU 37 2HD2 LEU 37 12.831 15.037 1.767 282 HD23 LEU 37 3HD2 LEU 37 11.870 13.546 1.918 283 H ASN 38 H ASN 38 13.327 17.945 -0.241 284 HA ASN 38 HA ASN 38 11.110 18.688 1.178 285 HB2 ASN 38 1HB ASN 38 13.696 20.172 0.509 286 HB3 ASN 38 2HB ASN 38 12.507 20.852 1.602 287 HD21 ASN 38 1HD2 ASN 38 15.076 18.665 1.189 288 HD22 ASN 38 2HD2 ASN 38 15.099 17.945 2.764 289 H SER 39 H SER 39 12.694 20.180 -1.735 290 HA SER 39 HA SER 39 11.293 22.426 -2.019 291 HB2 SER 39 1HB SER 39 13.072 21.168 -3.562 292 HB3 SER 39 2HB SER 39 11.647 20.693 -4.465 293 HG SER 39 HG SER 39 11.352 22.720 -5.167 294 H ALA 40 H ALA 40 10.227 19.093 -2.919 295 HA ALA 40 HA ALA 40 7.837 19.833 -4.155 296 HB1 ALA 40 1HB ALA 40 8.774 17.323 -2.723 297 HB2 ALA 40 2HB ALA 40 7.210 17.429 -3.567 298 HB3 ALA 40 3HB ALA 40 8.727 17.634 -4.475 299 H ILE 41 H ILE 41 8.546 18.816 -0.741 300 HA ILE 41 HA ILE 41 5.959 19.052 0.198 301 HB ILE 41 HB ILE 41 8.591 19.476 1.616 302 HG12 ILE 41 1HG1 ILE 41 6.878 16.992 1.306 303 HG13 ILE 41 2HG1 ILE 41 8.390 17.299 0.476 304 HG21 ILE 41 1HG2 ILE 41 6.417 18.444 3.238 305 HG22 ILE 41 2HG2 ILE 41 7.513 19.815 3.530 306 HG23 ILE 41 3HG2 ILE 41 6.032 20.049 2.570 307 HD11 ILE 41 1HD1 ILE 41 8.105 17.242 3.515 308 HD12 ILE 41 2HD1 ILE 41 8.646 15.861 2.531 309 HD13 ILE 41 3HD1 ILE 41 9.622 17.349 2.590 310 H GLU 42 H GLU 42 8.638 21.492 0.532 311 HA GLU 42 HA GLU 42 7.242 23.486 1.611 312 HB2 GLU 42 1HB GLU 42 9.544 23.369 -0.303 313 HB3 GLU 42 2HB GLU 42 8.799 24.939 -0.080 314 HG2 GLU 42 1HG GLU 42 8.970 24.143 2.533 315 HG3 GLU 42 2HG GLU 42 10.339 23.271 1.874 316 H ASN 43 H ASN 43 7.276 22.539 -1.866 317 HA ASN 43 HA ASN 43 5.932 24.680 -2.878 318 HB2 ASN 43 1HB ASN 43 6.956 22.657 -4.117 319 HB3 ASN 43 2HB ASN 43 5.489 21.777 -3.738 320 HD21 ASN 43 1HD2 ASN 43 6.000 21.939 -6.278 321 HD22 ASN 43 2HD2 ASN 43 5.016 23.090 -7.120 322 H LEU 44 H LEU 44 4.573 21.435 -1.889 323 HA LEU 44 HA LEU 44 1.909 22.096 -2.170 324 HB2 LEU 44 1HB LEU 44 3.458 20.047 -0.660 325 HB3 LEU 44 2HB LEU 44 1.763 20.251 -0.263 326 HG LEU 44 HG LEU 44 2.800 19.691 -3.055 327 HD11 LEU 44 1HD1 LEU 44 2.799 17.491 -2.671 328 HD12 LEU 44 2HD1 LEU 44 2.857 17.923 -0.946 329 HD13 LEU 44 3HD1 LEU 44 1.296 17.561 -1.720 330 HD21 LEU 44 1HD2 LEU 44 0.730 20.693 -3.354 331 HD22 LEU 44 2HD2 LEU 44 0.324 18.961 -3.304 332 HD23 LEU 44 3HD2 LEU 44 0.051 19.980 -1.871 333 H MET 45 H MET 45 4.060 22.344 0.734 334 HA MET 45 HA MET 45 2.274 23.116 2.569 335 HB2 MET 45 1HB MET 45 5.157 23.659 1.992 336 HB3 MET 45 2HB MET 45 4.426 24.828 3.074 337 HG2 MET 45 1HG MET 45 3.543 22.209 3.904 338 HG3 MET 45 2HG MET 45 5.277 22.130 3.666 339 HE1 MET 45 1HE MET 45 3.657 21.702 6.192 340 HE2 MET 45 2HE MET 45 5.384 21.766 6.616 341 HE3 MET 45 3HE MET 45 4.209 22.752 7.519 342 H THR 46 H THR 46 4.165 25.488 0.547 343 HA THR 46 HA THR 46 2.364 27.605 1.267 344 HB THR 46 HB THR 46 3.899 28.879 -0.310 345 HG1 THR 46 1HG THR 46 4.247 26.907 -1.656 346 HG21 THR 46 1HG2 THR 46 4.792 28.803 1.923 347 HG22 THR 46 2HG2 THR 46 5.111 27.055 1.816 348 HG23 THR 46 3HG2 THR 46 6.113 28.201 0.893 349 H SER 47 H SER 47 0.509 26.047 0.470 350 HA SER 47 HA SER 47 -0.391 27.261 -1.913 351 HB2 SER 47 1HB SER 47 0.996 25.490 -2.930 352 HB3 SER 47 2HB SER 47 0.199 24.268 -1.959 353 HG SER 47 HG SER 47 -0.551 25.204 -4.369 354 H SER 48 H SER 48 -0.923 24.081 -0.208 355 HA SER 48 HA SER 48 -3.688 24.896 0.126 356 HB2 SER 48 1HB SER 48 -2.277 22.206 0.205 357 HB3 SER 48 2HB SER 48 -3.908 22.392 0.818 358 HG SER 48 HG SER 48 -3.471 21.785 -1.587 359 H SER 49 H SER 49 -4.745 24.601 2.249 360 HA SER 49 HA SER 49 -3.056 25.445 4.328 361 HB2 SER 49 1HB SER 49 -5.908 24.418 4.607 362 HB3 SER 49 2HB SER 49 -5.076 25.538 5.667 363 HG SER 49 HG SER 49 -6.658 26.344 3.875 364 H LYS 50 H LYS 50 -3.201 24.287 6.596 365 HA LYS 50 HA LYS 50 -2.120 21.695 6.248 366 HB2 LYS 50 1HB LYS 50 -1.155 22.802 8.014 367 HB3 LYS 50 2HB LYS 50 -2.654 23.550 8.527 368 HG2 LYS 50 1HG LYS 50 -3.447 21.524 9.553 369 HG3 LYS 50 2HG LYS 50 -2.254 20.540 8.729 370 HD2 LYS 50 1HD LYS 50 -0.430 21.597 10.027 371 HD3 LYS 50 2HD LYS 50 -1.568 22.688 10.791 372 HE2 LYS 50 1HE LYS 50 -1.997 19.692 11.000 373 HE3 LYS 50 2HE LYS 50 -0.825 20.473 12.042 374 HZ1 LYS 50 1HZ LYS 50 -2.603 21.999 12.716 375 HZ2 LYS 50 2HZ LYS 50 -3.677 21.142 11.833 376 HZ3 LYS 50 3HZ LYS 50 -2.926 20.446 13.105 377 H GLU 51 H GLU 51 -5.228 22.976 7.596 378 HA GLU 51 HA GLU 51 -6.218 20.452 8.223 379 HB2 GLU 51 1HB GLU 51 -7.638 23.089 7.657 380 HB3 GLU 51 2HB GLU 51 -8.452 21.668 8.280 381 HG2 GLU 51 1HG GLU 51 -7.124 21.679 10.310 382 HG3 GLU 51 2HG GLU 51 -6.010 22.863 9.657 383 H ASP 52 H ASP 52 -6.332 22.478 5.267 384 HA ASP 52 HA ASP 52 -8.301 21.324 3.877 385 HB2 ASP 52 1HB ASP 52 -5.891 22.811 3.300 386 HB3 ASP 52 2HB ASP 52 -6.033 21.541 2.101 387 H TRP 53 H TRP 53 -5.216 19.940 4.896 388 HA TRP 53 HA TRP 53 -5.119 17.854 2.966 389 HB2 TRP 53 1HB TRP 53 -3.773 17.942 5.666 390 HB3 TRP 53 2HB TRP 53 -3.313 16.989 4.268 391 HD1 TRP 53 HD TRP 53 -3.481 19.447 2.096 392 HE1 TRP 53 1HE TRP 53 -1.611 21.306 2.012 393 HE3 TRP 53 3HE TRP 53 -1.788 18.700 6.832 394 HZ2 TRP 53 2HZ TRP 53 0.324 22.235 3.893 395 HZ3 TRP 53 3HZ TRP 53 0.095 20.125 7.631 396 HH2 TRP 53 HH TRP 53 1.145 21.844 6.245 397 HA PRO 54 HA PRO 54 -8.216 15.491 4.975 398 HB2 PRO 54 1HB PRO 54 -8.286 13.410 3.205 399 HB3 PRO 54 2HB PRO 54 -9.186 14.896 2.973 400 HG2 PRO 54 1HG PRO 54 -6.721 13.990 1.615 401 HG3 PRO 54 2HG PRO 54 -7.854 15.232 1.120 402 HD2 PRO 54 1HD PRO 54 -5.273 15.636 2.305 403 HD3 PRO 54 2HD PRO 54 -6.454 16.872 1.917 404 H SER 55 H SER 55 -8.334 14.002 6.587 405 HA SER 55 HA SER 55 -5.826 12.964 7.334 406 HB2 SER 55 1HB SER 55 -8.125 11.731 8.678 407 HB3 SER 55 2HB SER 55 -6.831 12.700 9.353 408 HG SER 55 HG SER 55 -9.199 13.535 9.331 409 H VAL 56 H VAL 56 -4.945 11.342 6.063 410 HA VAL 56 HA VAL 56 -6.736 9.115 5.380 411 HB VAL 56 HB VAL 56 -5.354 8.711 3.475 412 HG11 VAL 56 1HG1 VAL 56 -5.992 10.508 2.143 413 HG12 VAL 56 2HG1 VAL 56 -7.091 10.657 3.535 414 HG13 VAL 56 3HG1 VAL 56 -5.659 11.707 3.416 415 HG21 VAL 56 1HG2 VAL 56 -3.619 11.105 4.018 416 HG22 VAL 56 2HG2 VAL 56 -3.235 9.545 4.785 417 HG23 VAL 56 3HG2 VAL 56 -3.300 9.672 3.011 418 H ASN 57 H ASN 57 -5.143 7.043 4.943 419 HA ASN 57 HA ASN 57 -3.490 6.909 7.342 420 HB2 ASN 57 1HB ASN 57 -5.458 4.918 6.152 421 HB3 ASN 57 2HB ASN 57 -4.125 4.333 7.127 422 HD21 ASN 57 1HD2 ASN 57 -7.156 4.615 7.422 423 HD22 ASN 57 2HD2 ASN 57 -7.390 5.290 9.000 424 H MET 58 H MET 58 -1.562 5.487 7.122 425 HA MET 58 HA MET 58 -0.877 5.068 4.317 426 HB2 MET 58 1HB MET 58 0.521 6.753 5.550 427 HB3 MET 58 2HB MET 58 0.902 5.556 6.771 428 HG2 MET 58 1HG MET 58 2.216 4.245 5.250 429 HG3 MET 58 2HG MET 58 1.533 5.032 3.842 430 HE1 MET 58 1HE MET 58 1.343 7.548 3.890 431 HE2 MET 58 2HE MET 58 2.065 8.495 5.212 432 HE3 MET 58 3HE MET 58 2.884 8.401 3.635 433 H ASN 59 H ASN 59 -1.242 2.930 3.833 434 HA ASN 59 HA ASN 59 -0.941 0.961 5.854 435 HB2 ASN 59 1HB ASN 59 -2.676 0.717 4.107 436 HB3 ASN 59 2HB ASN 59 -1.464 0.774 2.842 437 HD21 ASN 59 1HD2 ASN 59 -3.475 -1.236 4.198 438 HD22 ASN 59 2HD2 ASN 59 -2.598 -2.729 4.221 439 H VAL 60 H VAL 60 0.820 -0.511 6.072 440 HA VAL 60 HA VAL 60 2.904 -0.383 4.024 441 HB VAL 60 HB VAL 60 3.302 -0.043 7.003 442 HG11 VAL 60 1HG1 VAL 60 4.993 -1.430 5.428 443 HG12 VAL 60 2HG1 VAL 60 5.585 0.219 5.113 444 HG13 VAL 60 3HG1 VAL 60 5.536 -0.406 6.779 445 HG21 VAL 60 1HG2 VAL 60 2.938 1.842 4.850 446 HG22 VAL 60 2HG2 VAL 60 3.155 2.144 6.591 447 HG23 VAL 60 3HG2 VAL 60 4.576 2.006 5.527 448 H ALA 61 H ALA 61 2.804 -2.431 3.220 449 HA ALA 61 HA ALA 61 3.467 -4.580 4.975 450 HB1 ALA 61 1HB ALA 61 1.477 -5.707 5.105 451 HB2 ALA 61 2HB ALA 61 0.812 -4.061 4.975 452 HB3 ALA 61 3HB ALA 61 0.907 -5.100 3.533 453 H ASP 62 H ASP 62 3.573 -6.698 3.626 454 HA ASP 62 HA ASP 62 4.696 -7.637 1.998 455 HB2 ASP 62 1HB ASP 62 2.179 -7.208 1.189 456 HB3 ASP 62 2HB ASP 62 2.953 -6.178 0.002 457 H ALA 63 H ALA 63 5.814 -5.038 2.794 458 HA ALA 63 HA ALA 63 7.236 -3.471 2.144 459 HB1 ALA 63 1HB ALA 63 8.987 -4.299 0.938 460 HB2 ALA 63 2HB ALA 63 8.082 -5.826 1.067 461 HB3 ALA 63 3HB ALA 63 7.947 -4.832 -0.404 462 H THR 64 H THR 64 4.774 -2.593 1.688 463 HA THR 64 HA THR 64 5.068 -1.136 -0.814 464 HB THR 64 HB THR 64 2.703 -2.938 -0.090 465 HG1 THR 64 1HG THR 64 3.835 -4.115 -1.580 466 HG21 THR 64 1HG2 THR 64 1.706 -2.087 -2.233 467 HG22 THR 64 2HG2 THR 64 1.814 -0.801 -1.008 468 HG23 THR 64 3HG2 THR 64 3.001 -0.870 -2.332 469 H VAL 65 H VAL 65 3.737 0.807 -0.910 470 HA VAL 65 HA VAL 65 2.862 1.624 1.773 471 HB VAL 65 HB VAL 65 4.678 2.944 -0.199 472 HG11 VAL 65 1HG1 VAL 65 3.093 4.662 -0.139 473 HG12 VAL 65 2HG1 VAL 65 2.674 4.352 1.563 474 HG13 VAL 65 3HG1 VAL 65 4.232 5.110 1.154 475 HG21 VAL 65 1HG2 VAL 65 5.041 3.590 2.607 476 HG22 VAL 65 2HG2 VAL 65 4.943 1.829 2.364 477 HG23 VAL 65 3HG2 VAL 65 6.151 2.785 1.472 478 H THR 66 H THR 66 0.656 1.427 1.545 479 HA THR 66 HA THR 66 -0.512 2.801 -0.786 480 HB THR 66 HB THR 66 -1.516 0.424 0.868 481 HG1 THR 66 1HG THR 66 -0.520 0.908 -1.851 482 HG21 THR 66 1HG2 THR 66 -2.916 0.506 -1.532 483 HG22 THR 66 2HG2 THR 66 -3.565 1.068 0.027 484 HG23 THR 66 3HG2 THR 66 -2.830 2.231 -1.102 485 H VAL 67 H VAL 67 -1.781 4.531 -0.460 486 HA VAL 67 HA VAL 67 -2.176 5.321 2.305 487 HB VAL 67 HB VAL 67 -2.668 6.764 -0.308 488 HG11 VAL 67 1HG1 VAL 67 -4.035 7.905 1.169 489 HG12 VAL 67 2HG1 VAL 67 -2.996 7.558 2.572 490 HG13 VAL 67 3HG1 VAL 67 -2.497 8.777 1.375 491 HG21 VAL 67 1HG2 VAL 67 -0.538 7.866 1.285 492 HG22 VAL 67 2HG2 VAL 67 -0.235 6.135 1.003 493 HG23 VAL 67 3HG2 VAL 67 -0.489 7.230 -0.377 494 H ILE 68 H ILE 68 -3.901 4.314 3.252 495 HA ILE 68 HA ILE 68 -6.317 4.015 1.639 496 HB ILE 68 HB ILE 68 -5.565 2.824 4.311 497 HG12 ILE 68 1HG1 ILE 68 -5.330 1.800 1.484 498 HG13 ILE 68 2HG1 ILE 68 -4.106 1.857 2.737 499 HG21 ILE 68 1HG2 ILE 68 -7.998 3.107 3.993 500 HG22 ILE 68 2HG2 ILE 68 -7.893 2.169 2.483 501 HG23 ILE 68 3HG2 ILE 68 -7.503 1.398 4.040 502 HD11 ILE 68 1HD1 ILE 68 -5.839 0.291 4.049 503 HD12 ILE 68 2HD1 ILE 68 -6.392 -0.073 2.397 504 HD13 ILE 68 3HD1 ILE 68 -4.703 -0.389 2.859 505 H SER 69 H SER 69 -8.361 4.811 2.377 506 HA SER 69 HA SER 69 -8.207 7.338 3.474 507 HB2 SER 69 1HB SER 69 -10.080 6.883 2.099 508 HB3 SER 69 2HB SER 69 -10.467 5.398 2.944 509 HG SER 69 HG SER 69 -11.933 7.163 3.470 510 H GLU 70 H GLU 70 -9.699 7.968 5.490 511 HA GLU 70 HA GLU 70 -8.542 6.590 7.687 512 HB2 GLU 70 1HB GLU 70 -8.664 8.849 8.164 513 HB3 GLU 70 2HB GLU 70 -10.149 9.078 7.263 514 HG2 GLU 70 1HG GLU 70 -11.460 7.998 9.052 515 HG3 GLU 70 2HG GLU 70 -9.997 7.593 9.927 516 H LYS 71 H LYS 71 -11.809 6.939 6.212 517 HA LYS 71 HA LYS 71 -13.009 5.323 8.268 518 HB2 LYS 71 1HB LYS 71 -13.914 6.956 5.969 519 HB3 LYS 71 2HB LYS 71 -14.893 5.543 6.310 520 HG2 LYS 71 1HG LYS 71 -15.906 6.864 7.875 521 HG3 LYS 71 2HG LYS 71 -14.501 6.514 8.862 522 HD2 LYS 71 1HD LYS 71 -13.369 8.561 7.835 523 HD3 LYS 71 2HD LYS 71 -14.889 8.940 7.049 524 HE2 LYS 71 1HE LYS 71 -15.612 8.486 9.740 525 HE3 LYS 71 2HE LYS 71 -14.091 9.348 9.852 526 HZ1 LYS 71 1HZ LYS 71 -15.251 10.789 8.021 527 HZ2 LYS 71 2HZ LYS 71 -16.606 10.235 8.745 528 HZ3 LYS 71 3HZ LYS 71 -15.499 11.067 9.611 529 H ASN 72 H ASN 72 -13.572 4.836 4.766 530 HA ASN 72 HA ASN 72 -13.879 2.194 4.873 531 HB2 ASN 72 1HB ASN 72 -13.097 4.153 2.789 532 HB3 ASN 72 2HB ASN 72 -12.522 2.537 2.430 533 HD21 ASN 72 1HD2 ASN 72 -14.758 4.417 1.473 534 HD22 ASN 72 2HD2 ASN 72 -16.165 3.412 1.375 535 H GLU 73 H GLU 73 -12.412 0.339 4.248 536 HA GLU 73 HA GLU 73 -9.663 0.926 5.029 537 HB2 GLU 73 1HB GLU 73 -11.435 -1.486 5.519 538 HB3 GLU 73 2HB GLU 73 -9.690 -1.638 5.584 539 HG2 GLU 73 1HG GLU 73 -9.587 -0.634 7.622 540 HG3 GLU 73 2HG GLU 73 -10.558 0.721 7.082 541 H GLU 74 H GLU 74 -11.779 -0.091 2.501 542 HA GLU 74 HA GLU 74 -9.676 -1.559 1.168 543 HB2 GLU 74 1HB GLU 74 -12.631 -1.138 0.603 544 HB3 GLU 74 2HB GLU 74 -11.568 -1.849 -0.595 545 HG2 GLU 74 1HG GLU 74 -10.967 -3.215 1.822 546 HG3 GLU 74 2HG GLU 74 -12.713 -3.066 1.808 547 H GLU 75 H GLU 75 -11.272 1.578 1.234 548 HA GLU 75 HA GLU 75 -10.684 2.353 -1.373 549 HB2 GLU 75 1HB GLU 75 -12.128 3.421 0.681 550 HB3 GLU 75 2HB GLU 75 -10.703 4.437 0.773 551 HG2 GLU 75 1HG GLU 75 -10.933 5.028 -1.627 552 HG3 GLU 75 2HG GLU 75 -12.306 3.950 -1.783 553 H VAL 76 H VAL 76 -8.663 2.434 -2.256 554 HA VAL 76 HA VAL 76 -6.481 3.287 -0.487 555 HB VAL 76 HB VAL 76 -5.798 1.244 -1.175 556 HG11 VAL 76 1HG1 VAL 76 -6.343 0.322 -3.509 557 HG12 VAL 76 2HG1 VAL 76 -7.688 0.473 -2.353 558 HG13 VAL 76 3HG1 VAL 76 -7.486 1.680 -3.646 559 HG21 VAL 76 1HG2 VAL 76 -4.295 3.069 -2.163 560 HG22 VAL 76 2HG2 VAL 76 -4.124 1.427 -2.830 561 HG23 VAL 76 3HG2 VAL 76 -5.031 2.665 -3.733 562 H LEU 77 H LEU 77 -6.590 5.529 -0.678 563 HA LEU 77 HA LEU 77 -7.225 6.919 -2.966 564 HB2 LEU 77 1HB LEU 77 -5.426 7.655 -0.656 565 HB3 LEU 77 2HB LEU 77 -5.962 8.787 -1.882 566 HG LEU 77 HG LEU 77 -8.123 7.271 -0.539 567 HD11 LEU 77 1HD1 LEU 77 -6.071 8.513 1.042 568 HD12 LEU 77 2HD1 LEU 77 -7.596 9.412 1.223 569 HD13 LEU 77 3HD1 LEU 77 -7.546 7.666 1.564 570 HD21 LEU 77 1HD2 LEU 77 -8.732 8.951 -2.114 571 HD22 LEU 77 2HD2 LEU 77 -9.132 9.572 -0.494 572 HD23 LEU 77 3HD2 LEU 77 -7.677 10.155 -1.337 573 H VAL 78 H VAL 78 -3.925 6.038 -1.724 574 HA VAL 78 HA VAL 78 -3.026 6.194 -4.514 575 HB VAL 78 HB VAL 78 -1.885 7.414 -2.031 576 HG11 VAL 78 1HG1 VAL 78 -0.270 6.518 -4.440 577 HG12 VAL 78 2HG1 VAL 78 0.306 7.661 -3.203 578 HG13 VAL 78 3HG1 VAL 78 -0.078 5.982 -2.753 579 HG21 VAL 78 1HG2 VAL 78 -2.705 8.276 -4.751 580 HG22 VAL 78 2HG2 VAL 78 -2.798 9.134 -3.194 581 HG23 VAL 78 3HG2 VAL 78 -1.257 9.065 -4.082 582 H GLU 79 H GLU 79 -1.397 4.657 -5.113 583 HA GLU 79 HA GLU 79 -0.976 2.599 -3.094 584 HB2 GLU 79 1HB GLU 79 -2.718 1.788 -4.615 585 HB3 GLU 79 2HB GLU 79 -1.744 2.186 -6.016 586 HG2 GLU 79 1HG GLU 79 0.032 0.587 -4.708 587 HG3 GLU 79 2HG GLU 79 -1.457 -0.095 -4.084 588 H CYS 80 H CYS 80 1.174 3.078 -2.627 589 HA CYS 80 HA CYS 80 2.967 3.122 -4.946 590 HB2 CYS 80 1HB CYS 80 3.196 4.534 -2.275 591 HB3 CYS 80 2HB CYS 80 4.555 4.342 -3.365 592 HG CYS 80 HG CYS 80 4.057 6.107 -4.862 593 H ARG 81 H ARG 81 4.986 1.899 -4.698 594 HA ARG 81 HA ARG 81 4.807 -0.038 -2.530 595 HB2 ARG 81 1HB ARG 81 5.562 -0.407 -5.458 596 HB3 ARG 81 2HB ARG 81 6.093 -1.559 -4.249 597 HG2 ARG 81 1HG ARG 81 3.901 -2.283 -3.768 598 HG3 ARG 81 2HG ARG 81 3.171 -0.786 -4.315 599 HD2 ARG 81 1HD ARG 81 3.927 -1.406 -6.693 600 HD3 ARG 81 2HD ARG 81 4.384 -2.976 -6.064 601 HE ARG 81 HE ARG 81 1.701 -2.431 -5.237 602 HH11 ARG 81 2HH2 ARG 81 3.522 -3.137 -8.164 603 HH12 ARG 81 1HH2 ARG 81 2.178 -3.868 -8.977 604 HH21 ARG 81 2HH1 ARG 81 -0.072 -3.396 -6.308 605 HH22 ARG 81 1HH1 ARG 81 0.120 -4.016 -7.914 606 H VAL 82 H VAL 82 7.257 -1.309 -2.734 607 HA VAL 82 HA VAL 82 9.088 0.896 -2.175 608 HB VAL 82 HB VAL 82 10.343 -0.694 -0.915 609 HG11 VAL 82 1HG1 VAL 82 8.164 -1.751 0.390 610 HG12 VAL 82 2HG1 VAL 82 8.827 -0.119 0.645 611 HG13 VAL 82 3HG1 VAL 82 7.455 -0.359 -0.463 612 HG21 VAL 82 1HG2 VAL 82 8.475 -2.811 -2.033 613 HG22 VAL 82 2HG2 VAL 82 10.212 -2.628 -2.378 614 HG23 VAL 82 3HG2 VAL 82 9.672 -3.079 -0.743 615 H ARG 83 H ARG 83 8.523 -1.911 -4.302 616 HA ARG 83 HA ARG 83 11.095 -1.970 -5.361 617 HB2 ARG 83 1HB ARG 83 10.201 -3.513 -6.958 618 HB3 ARG 83 2HB ARG 83 9.214 -3.747 -5.529 619 HG2 ARG 83 1HG ARG 83 8.115 -1.609 -7.209 620 HG3 ARG 83 2HG ARG 83 8.312 -3.084 -8.134 621 HD2 ARG 83 1HD ARG 83 7.243 -4.006 -5.710 622 HD3 ARG 83 2HD ARG 83 6.410 -2.484 -5.951 623 HE ARG 83 HE ARG 83 5.370 -3.354 -7.893 624 HH11 ARG 83 2HH2 ARG 83 7.814 -5.582 -6.691 625 HH12 ARG 83 1HH2 ARG 83 7.296 -6.894 -7.698 626 HH21 ARG 83 2HH1 ARG 83 4.687 -5.083 -9.221 627 HH22 ARG 83 1HH1 ARG 83 5.506 -6.608 -9.147 628 H PHE 84 H PHE 84 8.495 0.281 -5.685 629 HA PHE 84 HA PHE 84 9.532 1.226 -8.257 630 HB2 PHE 84 1HB PHE 84 6.951 1.680 -6.646 631 HB3 PHE 84 2HB PHE 84 7.301 2.553 -8.124 632 HD1 PHE 84 2HD PHE 84 8.562 0.224 -9.642 633 HD2 PHE 84 1HD PHE 84 5.008 0.530 -7.345 634 HE1 PHE 84 2HE PHE 84 7.536 -1.633 -10.982 635 HE2 PHE 84 1HE PHE 84 3.982 -1.327 -8.685 636 HZ PHE 84 HZ PHE 84 5.258 -2.387 -10.488 637 H LEU 85 H LEU 85 9.728 1.753 -4.894 638 HA LEU 85 HA LEU 85 9.705 4.581 -4.871 639 HB2 LEU 85 1HB LEU 85 10.012 2.410 -3.024 640 HB3 LEU 85 2HB LEU 85 11.299 3.569 -2.761 641 HG LEU 85 HG LEU 85 8.489 4.581 -2.998 642 HD11 LEU 85 1HD1 LEU 85 7.929 2.983 -1.450 643 HD12 LEU 85 2HD1 LEU 85 9.566 2.919 -0.753 644 HD13 LEU 85 3HD1 LEU 85 8.494 4.291 -0.383 645 HD21 LEU 85 1HD2 LEU 85 11.014 5.687 -2.388 646 HD22 LEU 85 2HD2 LEU 85 9.423 6.484 -2.348 647 HD23 LEU 85 3HD2 LEU 85 10.068 5.712 -0.880 648 H SER 86 H SER 86 11.410 6.076 -4.967 649 HA SER 86 HA SER 86 13.872 4.913 -6.014 650 HB2 SER 86 1HB SER 86 12.137 6.943 -7.083 651 HB3 SER 86 2HB SER 86 13.648 7.719 -6.655 652 HG SER 86 HG SER 86 13.130 5.697 -8.591 653 H PHE 87 H PHE 87 12.321 7.189 -3.758 654 HA PHE 87 HA PHE 87 14.458 7.127 -1.981 655 HB2 PHE 87 1HB PHE 87 15.323 8.596 -3.981 656 HB3 PHE 87 2HB PHE 87 14.111 9.770 -3.507 657 HD1 PHE 87 1HD PHE 87 14.310 10.957 -1.352 658 HD2 PHE 87 2HD PHE 87 17.339 8.312 -2.707 659 HE1 PHE 87 1HE PHE 87 15.914 11.944 0.307 660 HE2 PHE 87 2HE PHE 87 18.943 9.299 -1.048 661 HZ PHE 87 HZ PHE 87 18.212 11.103 0.439 662 H MET 88 H MET 88 14.161 8.891 -0.203 663 HA MET 88 HA MET 88 11.649 10.189 -0.176 664 HB2 MET 88 1HB MET 88 10.620 8.887 1.639 665 HB3 MET 88 2HB MET 88 11.032 7.774 0.350 666 HG2 MET 88 1HG MET 88 13.231 8.175 2.306 667 HG3 MET 88 2HG MET 88 11.783 7.491 3.018 668 HE1 MET 88 1HE MET 88 10.887 4.788 2.235 669 HE2 MET 88 2HE MET 88 10.344 6.095 1.156 670 HE3 MET 88 3HE MET 88 11.038 4.607 0.471 671 H GLY 89 H GLY 89 11.545 9.976 2.868 672 HA2 GLY 89 1HA GLY 89 13.337 10.462 4.537 673 HA3 GLY 89 2HA GLY 89 13.895 11.687 3.415 674 H VAL 90 H VAL 90 13.068 12.241 6.116 675 HA VAL 90 HA VAL 90 10.384 13.258 6.000 676 HB VAL 90 HB VAL 90 12.613 13.228 8.017 677 HG11 VAL 90 1HG1 VAL 90 10.534 14.250 9.447 678 HG12 VAL 90 2HG1 VAL 90 11.857 15.224 8.764 679 HG13 VAL 90 3HG1 VAL 90 10.312 15.087 7.892 680 HG21 VAL 90 1HG2 VAL 90 10.304 11.609 7.434 681 HG22 VAL 90 2HG2 VAL 90 11.583 11.352 8.644 682 HG23 VAL 90 3HG2 VAL 90 10.143 12.312 9.061 683 H GLY 91 H GLY 91 9.733 15.392 5.727 684 HA2 GLY 91 1HA GLY 91 11.446 17.080 4.234 685 HA3 GLY 91 2HA GLY 91 9.860 17.469 4.868 686 H LYS 92 H LYS 92 11.031 19.642 5.174 687 HA LYS 92 HA LYS 92 13.103 20.088 6.857 688 HB2 LYS 92 1HB LYS 92 10.589 21.663 6.303 689 HB3 LYS 92 2HB LYS 92 11.818 22.270 7.394 690 HG2 LYS 92 1HG LYS 92 12.652 21.250 4.669 691 HG3 LYS 92 2HG LYS 92 11.917 22.836 4.792 692 HD2 LYS 92 1HD LYS 92 13.958 22.473 6.867 693 HD3 LYS 92 2HD LYS 92 14.630 22.174 5.277 694 HE2 LYS 92 1HE LYS 92 14.252 24.364 4.541 695 HE3 LYS 92 2HE LYS 92 12.867 24.596 5.589 696 HZ1 LYS 92 1HZ LYS 92 15.327 24.161 6.979 697 HZ2 LYS 92 2HZ LYS 92 15.304 25.529 6.088 698 HZ3 LYS 92 3HZ LYS 92 14.169 25.283 7.237 699 H ASP 93 H ASP 93 9.613 20.095 7.891 700 HA ASP 93 HA ASP 93 10.389 20.006 10.601 701 HB2 ASP 93 1HB ASP 93 7.992 20.419 9.070 702 HB3 ASP 93 2HB ASP 93 7.662 19.102 10.177 703 H VAL 94 H VAL 94 9.541 18.164 12.095 704 HA VAL 94 HA VAL 94 10.303 15.642 10.914 705 HB VAL 94 HB VAL 94 10.230 14.840 13.213 706 HG11 VAL 94 1HG1 VAL 94 11.747 16.979 14.087 707 HG12 VAL 94 2HG1 VAL 94 12.333 15.617 13.103 708 HG13 VAL 94 3HG1 VAL 94 11.829 17.131 12.315 709 HG21 VAL 94 1HG2 VAL 94 9.905 17.069 14.825 710 HG22 VAL 94 2HG2 VAL 94 8.618 17.256 13.610 711 HG23 VAL 94 3HG2 VAL 94 8.715 15.768 14.583 712 H HIS 95 H HIS 95 7.456 17.478 11.239 713 HA HIS 95 HA HIS 95 5.791 15.105 11.499 714 HB2 HIS 95 1HB HIS 95 4.551 17.779 11.191 715 HB3 HIS 95 2HB HIS 95 4.130 16.454 12.258 716 HD1 HIS 95 1HD HIS 95 6.870 19.122 11.954 717 HD2 HIS 95 2HD HIS 95 4.867 16.859 14.863 718 HE1 HIS 95 1HE HIS 95 7.694 19.973 14.213 719 H THR 96 H THR 96 7.563 16.069 9.102 720 HA THR 96 HA THR 96 5.392 15.876 7.120 721 HB THR 96 HB THR 96 7.040 17.301 5.694 722 HG1 THR 96 1HG THR 96 8.378 18.587 7.379 723 HG21 THR 96 1HG2 THR 96 6.172 18.778 8.209 724 HG22 THR 96 2HG2 THR 96 6.206 19.373 6.532 725 HG23 THR 96 3HG2 THR 96 4.960 18.207 7.038 726 H PHE 97 H PHE 97 5.605 14.380 5.517 727 HA PHE 97 HA PHE 97 8.190 13.089 5.227 728 HB2 PHE 97 1HB PHE 97 7.018 11.744 6.936 729 HB3 PHE 97 2HB PHE 97 5.513 11.824 6.041 730 HD1 PHE 97 1HD PHE 97 9.016 10.600 5.615 731 HD2 PHE 97 2HD PHE 97 4.902 10.000 4.765 732 HE1 PHE 97 1HE PHE 97 9.565 8.421 4.497 733 HE2 PHE 97 2HE PHE 97 5.451 7.821 3.647 734 HZ PHE 97 HZ PHE 97 7.776 7.058 3.526 735 H ALA 98 H ALA 98 8.470 12.044 3.184 736 HA ALA 98 HA ALA 98 6.287 11.793 1.379 737 HB1 ALA 98 1HB ALA 98 6.707 13.561 -0.100 738 HB2 ALA 98 2HB ALA 98 6.909 14.335 1.490 739 HB3 ALA 98 3HB ALA 98 8.339 13.849 0.549 740 H PHE 99 H PHE 99 6.873 10.503 -0.424 741 HA PHE 99 HA PHE 99 9.702 9.779 -0.567 742 HB2 PHE 99 1HB PHE 99 9.013 7.396 -0.597 743 HB3 PHE 99 2HB PHE 99 8.353 8.139 0.846 744 HD1 PHE 99 2HD PHE 99 7.507 7.016 -2.573 745 HD2 PHE 99 1HD PHE 99 6.014 8.236 1.207 746 HE1 PHE 99 2HE PHE 99 5.206 6.262 -3.238 747 HE2 PHE 99 1HE PHE 99 3.714 7.482 0.543 748 HZ PHE 99 HZ PHE 99 3.338 6.504 -1.672 749 H ILE 100 H ILE 100 10.451 9.321 -2.650 750 HA ILE 100 HA ILE 100 8.601 10.041 -4.760 751 HB ILE 100 HB ILE 100 11.565 9.473 -4.852 752 HG12 ILE 100 1HG1 ILE 100 10.090 12.107 -4.568 753 HG13 ILE 100 2HG1 ILE 100 11.077 11.336 -3.343 754 HG21 ILE 100 1HG2 ILE 100 11.429 9.676 -7.054 755 HG22 ILE 100 2HG2 ILE 100 9.656 9.763 -6.924 756 HG23 ILE 100 3HG2 ILE 100 10.625 11.255 -6.888 757 HD11 ILE 100 1HD1 ILE 100 13.059 11.919 -4.363 758 HD12 ILE 100 2HD1 ILE 100 12.391 11.731 -6.002 759 HD13 ILE 100 3HD1 ILE 100 12.046 13.204 -5.063 760 H MET 101 H MET 101 7.564 8.601 -6.039 761 HA MET 101 HA MET 101 8.528 5.852 -5.870 762 HB2 MET 101 1HB MET 101 6.236 5.141 -6.042 763 HB3 MET 101 2HB MET 101 6.170 6.520 -4.963 764 HG2 MET 101 1HG MET 101 4.595 7.364 -6.382 765 HG3 MET 101 2HG MET 101 5.929 7.738 -7.456 766 HE1 MET 101 1HE MET 101 4.132 4.562 -6.182 767 HE2 MET 101 2HE MET 101 2.779 5.484 -6.881 768 HE3 MET 101 3HE MET 101 3.302 3.960 -7.637 769 H ASP 102 H ASP 102 7.912 4.489 -7.892 770 HA ASP 102 HA ASP 102 8.517 6.150 -10.202 771 HB2 ASP 102 1HB ASP 102 10.215 4.514 -10.002 772 HB3 ASP 102 2HB ASP 102 9.102 3.282 -9.442 773 H THR 103 H THR 103 6.506 6.655 -11.150 774 HA THR 103 HA THR 103 4.344 4.756 -11.075 775 HB THR 103 HB THR 103 3.122 6.611 -12.149 776 HG1 THR 103 1HG THR 103 4.351 7.984 -13.387 777 HG21 THR 103 1HG2 THR 103 5.147 7.471 -10.033 778 HG22 THR 103 2HG2 THR 103 3.953 8.611 -10.699 779 HG23 THR 103 3HG2 THR 103 3.406 7.162 -9.821 780 H GLY 104 H GLY 104 6.555 6.121 -13.585 781 HA2 GLY 104 1HA GLY 104 7.172 4.089 -15.079 782 HA3 GLY 104 2HA GLY 104 5.473 4.175 -15.501 783 H ASN 105 H ASN 105 7.652 4.568 -17.362 784 HA ASN 105 HA ASN 105 8.196 5.866 -19.011 785 HB2 ASN 105 1HB ASN 105 5.673 7.183 -18.057 786 HB3 ASN 105 2HB ASN 105 6.698 8.179 -19.072 787 HD21 ASN 105 1HD2 ASN 105 5.627 8.212 -20.930 788 HD22 ASN 105 2HD2 ASN 105 5.209 6.836 -21.895 789 H GLN 106 H GLN 106 10.003 6.116 -17.114 790 HA GLN 106 HA GLN 106 11.269 7.382 -15.821 791 HB2 GLN 106 1HB GLN 106 11.067 8.930 -18.427 792 HB3 GLN 106 2HB GLN 106 12.175 9.423 -17.162 793 HG2 GLN 106 1HG GLN 106 13.634 7.739 -17.638 794 HG3 GLN 106 2HG GLN 106 12.362 6.534 -17.661 795 HE21 GLN 106 1HE2 GLN 106 14.088 5.981 -19.416 796 HE22 GLN 106 2HE2 GLN 106 13.686 6.450 -21.034 797 H ARG 107 H ARG 107 8.595 7.766 -15.022 798 HA ARG 107 HA ARG 107 8.685 10.600 -14.366 799 HB2 ARG 107 1HB ARG 107 6.612 9.164 -15.757 800 HB3 ARG 107 2HB ARG 107 5.976 9.565 -14.174 801 HG2 ARG 107 1HG ARG 107 7.469 11.759 -15.562 802 HG3 ARG 107 2HG ARG 107 5.950 11.290 -16.301 803 HD2 ARG 107 1HD ARG 107 5.170 11.404 -13.673 804 HD3 ARG 107 2HD ARG 107 6.449 12.601 -13.654 805 HE ARG 107 HE ARG 107 5.141 14.009 -15.005 806 HH11 ARG 107 2HH2 ARG 107 3.775 10.766 -15.013 807 HH12 ARG 107 1HH2 ARG 107 2.325 11.241 -15.834 808 HH21 ARG 107 2HH1 ARG 107 3.229 14.636 -16.087 809 HH22 ARG 107 1HH1 ARG 107 2.012 13.457 -16.449 810 H PHE 108 H PHE 108 8.440 11.083 -12.158 811 HA PHE 108 HA PHE 108 7.764 8.805 -10.434 812 HB2 PHE 108 1HB PHE 108 9.682 11.124 -9.831 813 HB3 PHE 108 2HB PHE 108 9.526 9.636 -8.920 814 HD1 PHE 108 1HD PHE 108 10.130 7.443 -10.192 815 HD2 PHE 108 2HD PHE 108 11.344 11.312 -11.443 816 HE1 PHE 108 1HE PHE 108 11.990 6.425 -11.535 817 HE2 PHE 108 2HE PHE 108 13.204 10.294 -12.786 818 HZ PHE 108 HZ PHE 108 13.505 7.863 -12.816 819 H GLU 109 H GLU 109 6.775 9.377 -8.352 820 HA GLU 109 HA GLU 109 5.699 12.079 -8.337 821 HB2 GLU 109 1HB GLU 109 4.194 9.478 -8.337 822 HB3 GLU 109 2HB GLU 109 3.570 10.767 -7.327 823 HG2 GLU 109 1HG GLU 109 4.198 11.039 -10.306 824 HG3 GLU 109 2HG GLU 109 2.596 10.786 -9.643 825 H CYS 110 H CYS 110 5.699 13.058 -6.314 826 HA CYS 110 HA CYS 110 6.699 11.370 -4.148 827 HB2 CYS 110 1HB CYS 110 8.022 13.421 -4.959 828 HB3 CYS 110 2HB CYS 110 6.770 14.394 -4.212 829 HG CYS 110 HG CYS 110 8.760 12.108 -2.893 830 H HIS 111 H HIS 111 5.302 10.926 -2.468 831 HA HIS 111 HA HIS 111 2.815 12.458 -2.428 832 HB2 HIS 111 1HB HIS 111 3.453 9.728 -1.275 833 HB3 HIS 111 2HB HIS 111 1.899 10.531 -1.181 834 HD1 HIS 111 1HD HIS 111 0.323 10.281 -3.158 835 HD2 HIS 111 2HD HIS 111 4.218 8.965 -3.995 836 HE1 HIS 111 1HE HIS 111 0.216 9.132 -5.434 837 H VAL 112 H VAL 112 3.088 14.213 -1.105 838 HA VAL 112 HA VAL 112 4.743 13.998 1.232 839 HB VAL 112 HB VAL 112 3.010 16.195 0.091 840 HG11 VAL 112 1HG1 VAL 112 5.099 16.664 2.203 841 HG12 VAL 112 2HG1 VAL 112 3.688 17.655 1.758 842 HG13 VAL 112 3HG1 VAL 112 3.463 16.146 2.675 843 HG21 VAL 112 1HG2 VAL 112 5.991 15.650 0.032 844 HG22 VAL 112 2HG2 VAL 112 4.870 15.789 -1.343 845 HG23 VAL 112 3HG2 VAL 112 5.276 17.228 -0.377 846 H PHE 113 H PHE 113 4.068 13.985 3.401 847 HA PHE 113 HA PHE 113 1.210 13.955 3.896 848 HB2 PHE 113 1HB PHE 113 3.214 11.730 4.613 849 HB3 PHE 113 2HB PHE 113 1.562 11.776 5.197 850 HD1 PHE 113 1HD PHE 113 -0.295 11.829 3.363 851 HD2 PHE 113 2HD PHE 113 3.700 10.587 2.652 852 HE1 PHE 113 1HE PHE 113 -1.050 10.567 1.328 853 HE2 PHE 113 2HE PHE 113 2.945 9.325 0.618 854 HZ PHE 113 HZ PHE 113 0.580 9.330 -0.020 855 H TRP 114 H TRP 114 0.789 13.819 6.356 856 HA TRP 114 HA TRP 114 3.005 15.159 7.754 857 HB2 TRP 114 1HB TRP 114 1.181 16.706 7.180 858 HB3 TRP 114 2HB TRP 114 0.041 15.686 8.035 859 HD1 TRP 114 HD TRP 114 0.610 15.443 10.831 860 HE1 TRP 114 1HE TRP 114 1.450 17.238 12.573 861 HE3 TRP 114 3HE TRP 114 2.515 18.663 7.387 862 HZ2 TRP 114 2HZ TRP 114 2.788 19.746 12.322 863 HZ3 TRP 114 3HZ TRP 114 3.571 20.762 8.220 864 HH2 TRP 114 HH TRP 114 3.724 21.326 10.593 865 H CYS 115 H CYS 115 3.824 13.753 9.247 866 HA CYS 115 HA CYS 115 1.929 11.872 10.448 867 HB2 CYS 115 1HB CYS 115 4.920 11.500 10.506 868 HB3 CYS 115 2HB CYS 115 3.654 10.302 10.690 869 HG CYS 115 HG CYS 115 4.622 12.002 8.029 870 H GLU 116 H GLU 116 1.866 11.734 12.753 871 HA GLU 116 HA GLU 116 3.524 13.710 14.110 872 HB2 GLU 116 1HB GLU 116 0.541 13.280 14.259 873 HB3 GLU 116 2HB GLU 116 1.382 13.822 15.698 874 HG2 GLU 116 1HG GLU 116 2.412 15.417 13.576 875 HG3 GLU 116 2HG GLU 116 0.684 15.334 13.297 876 HA PRO 117 HA PRO 117 3.753 14.249 16.034 877 HB2 PRO 117 1HB PRO 117 5.966 14.179 17.636 878 HB3 PRO 117 2HB PRO 117 4.332 14.255 18.263 879 HG2 PRO 117 1HG PRO 117 6.179 11.949 18.179 880 HG3 PRO 117 2HG PRO 117 4.742 12.169 19.157 881 HD2 PRO 117 1HD PRO 117 4.984 10.547 16.804 882 HD3 PRO 117 2HD PRO 117 3.520 10.860 17.715 883 H ASN 118 H ASN 118 6.205 11.831 15.401 884 HA ASN 118 HA ASN 118 7.260 13.722 13.449 885 HB2 ASN 118 1HB ASN 118 9.461 12.284 13.835 886 HB3 ASN 118 2HB ASN 118 9.061 13.563 14.965 887 HD21 ASN 118 1HD2 ASN 118 10.409 12.369 16.432 888 HD22 ASN 118 2HD2 ASN 118 9.766 11.049 17.350 889 H ALA 119 H ALA 119 8.061 12.678 11.434 890 HA ALA 119 HA ALA 119 6.635 10.216 10.883 891 HB1 ALA 119 1HB ALA 119 6.649 10.927 8.710 892 HB2 ALA 119 2HB ALA 119 6.966 12.507 9.466 893 HB3 ALA 119 3HB ALA 119 8.314 11.546 8.812 894 H ALA 120 H ALA 120 8.650 9.793 12.774 895 HA ALA 120 HA ALA 120 11.005 8.903 11.353 896 HB1 ALA 120 1HB ALA 120 10.671 8.135 14.181 897 HB2 ALA 120 2HB ALA 120 11.986 9.037 13.389 898 HB3 ALA 120 3HB ALA 120 10.503 9.884 13.891 899 H ASN 121 H ASN 121 8.249 7.496 13.242 900 HA ASN 121 HA ASN 121 9.058 4.876 12.971 901 HB2 ASN 121 1HB ASN 121 6.290 6.141 13.272 902 HB3 ASN 121 2HB ASN 121 6.527 4.406 13.311 903 HD21 ASN 121 1HD2 ASN 121 6.153 7.035 15.170 904 HD22 ASN 121 2HD2 ASN 121 6.978 6.570 16.621 905 H VAL 122 H VAL 122 6.825 6.967 11.010 906 HA VAL 122 HA VAL 122 6.040 5.012 9.189 907 HB VAL 122 HB VAL 122 6.260 8.019 9.024 908 HG11 VAL 122 1HG1 VAL 122 5.655 8.022 6.873 909 HG12 VAL 122 2HG1 VAL 122 6.019 6.280 6.840 910 HG13 VAL 122 3HG1 VAL 122 4.361 6.837 7.168 911 HG21 VAL 122 1HG2 VAL 122 4.520 6.361 10.443 912 HG22 VAL 122 2HG2 VAL 122 4.281 8.084 10.065 913 HG23 VAL 122 3HG2 VAL 122 3.595 6.836 8.998 914 H SER 123 H SER 123 8.361 7.735 8.538 915 HA SER 123 HA SER 123 9.354 6.892 6.236 916 HB2 SER 123 1HB SER 123 10.131 8.958 7.160 917 HB3 SER 123 2HB SER 123 10.760 8.179 8.599 918 HG SER 123 HG SER 123 11.789 7.744 5.924 919 H GLU 124 H GLU 124 10.076 5.551 9.476 920 HA GLU 124 HA GLU 124 12.219 3.959 8.568 921 HB2 GLU 124 1HB GLU 124 10.628 4.248 11.095 922 HB3 GLU 124 2HB GLU 124 11.491 2.739 10.877 923 HG2 GLU 124 1HG GLU 124 12.877 5.412 10.447 924 HG3 GLU 124 2HG GLU 124 12.737 4.716 12.049 925 H ALA 125 H ALA 125 8.765 3.270 9.467 926 HA ALA 125 HA ALA 125 8.785 0.570 8.919 927 HB1 ALA 125 1HB ALA 125 6.516 0.732 9.237 928 HB2 ALA 125 2HB ALA 125 6.980 2.331 9.866 929 HB3 ALA 125 3HB ALA 125 6.363 2.173 8.204 930 H VAL 126 H VAL 126 8.496 3.403 6.737 931 HA VAL 126 HA VAL 126 7.745 1.923 4.464 932 HB VAL 126 HB VAL 126 9.109 4.602 4.792 933 HG11 VAL 126 1HG1 VAL 126 9.165 3.252 2.484 934 HG12 VAL 126 2HG1 VAL 126 7.527 3.936 2.348 935 HG13 VAL 126 3HG1 VAL 126 8.928 5.014 2.551 936 HG21 VAL 126 1HG2 VAL 126 6.653 5.281 4.088 937 HG22 VAL 126 2HG2 VAL 126 6.252 3.689 4.776 938 HG23 VAL 126 3HG2 VAL 126 7.054 4.918 5.784 939 H GLN 127 H GLN 127 10.942 3.196 5.623 940 HA GLN 127 HA GLN 127 12.375 2.107 3.518 941 HB2 GLN 127 1HB GLN 127 13.232 2.821 6.355 942 HB3 GLN 127 2HB GLN 127 14.357 2.415 5.074 943 HG2 GLN 127 1HG GLN 127 12.511 4.399 4.058 944 HG3 GLN 127 2HG GLN 127 13.113 4.956 5.606 945 HE21 GLN 127 1HE2 GLN 127 14.512 6.480 5.037 946 HE22 GLN 127 2HE2 GLN 127 15.914 6.261 4.045 947 H ALA 128 H ALA 128 11.633 0.855 6.833 948 HA ALA 128 HA ALA 128 13.163 -1.411 6.805 949 HB1 ALA 128 1HB ALA 128 10.895 -0.329 8.250 950 HB2 ALA 128 2HB ALA 128 10.696 -2.083 8.023 951 HB3 ALA 128 3HB ALA 128 12.158 -1.449 8.814 952 H ALA 129 H ALA 129 10.352 -0.593 4.863 953 HA ALA 129 HA ALA 129 9.788 -3.338 4.191 954 HB1 ALA 129 1HB ALA 129 8.555 -1.489 2.395 955 HB2 ALA 129 2HB ALA 129 7.804 -2.395 3.730 956 HB3 ALA 129 3HB ALA 129 8.487 -0.778 4.025 957 H CYS 130 H CYS 130 11.185 -0.399 2.590 958 HA CYS 130 HA CYS 130 11.715 -1.662 0.169 959 HB2 CYS 130 1HB CYS 130 11.669 0.791 0.476 960 HB3 CYS 130 2HB CYS 130 13.139 0.707 1.428 961 HG CYS 130 HG CYS 130 13.523 1.565 -1.099 962 H SER 131 H SER 131 13.968 -0.788 2.903 963 HA SER 131 HA SER 131 15.995 -1.515 3.346 964 HB2 SER 131 1HB SER 131 14.112 -3.373 4.053 965 HB3 SER 131 2HB SER 131 15.164 -4.373 3.071 966 HG SER 131 HG SER 131 16.980 -3.469 4.424 967 H GLY 132 H GLY 132 17.082 -0.830 1.367 968 HA2 GLY 132 1HA GLY 132 17.564 -3.018 -0.562 969 HA3 GLY 132 2HA GLY 132 17.618 -1.306 -0.932 970 HA PRO 133 HA PRO 133 21.884 -2.472 -0.038 971 HB2 PRO 133 1HB PRO 133 23.025 -1.297 -2.226 972 HB3 PRO 133 2HB PRO 133 22.533 -2.978 -2.189 973 HG2 PRO 133 1HG PRO 133 21.220 -0.692 -3.527 974 HG3 PRO 133 2HG PRO 133 21.002 -2.407 -3.816 975 HD2 PRO 133 1HD PRO 133 19.226 -0.669 -2.383 976 HD3 PRO 133 2HD PRO 133 19.067 -2.404 -2.574 977 H SER 134 H SER 134 21.566 -1.146 1.847 978 HA SER 134 HA SER 134 21.552 1.570 1.720 979 HB2 SER 134 1HB SER 134 22.413 -0.453 3.770 980 HB3 SER 134 2HB SER 134 22.857 1.217 4.060 981 HG SER 134 HG SER 134 20.744 0.552 4.966 982 H SER 135 H SER 135 24.425 -0.616 2.213 983 HA SER 135 HA SER 135 26.543 -0.353 1.827 984 HB2 SER 135 1HB SER 135 25.675 0.114 -0.516 985 HB3 SER 135 2HB SER 135 25.785 1.827 -0.165 986 HG SER 135 HG SER 135 28.051 0.061 0.132 987 H GLY 136 H GLY 136 27.300 0.449 3.810 988 HA2 GLY 136 1HA GLY 136 28.152 3.200 3.839 989 HA3 GLY 136 2HA GLY 136 26.870 2.858 4.984 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -21.172 -17.225 -22.194 2 HA2 GLY 1 1HA GLY 1 -19.690 -15.124 -21.030 3 HA3 GLY 1 2HA GLY 1 -19.210 -16.802 -21.179 4 H SER 2 H SER 2 -17.490 -14.449 -21.515 5 HA SER 2 HA SER 2 -16.229 -15.247 -23.872 6 HB2 SER 2 1HB SER 2 -18.241 -13.656 -24.598 7 HB3 SER 2 2HB SER 2 -17.152 -12.380 -24.091 8 HG SER 2 HG SER 2 -15.665 -14.040 -25.581 9 H SER 3 H SER 3 -14.254 -15.295 -22.816 10 HA SER 3 HA SER 3 -12.416 -14.562 -21.919 11 HB2 SER 3 1HB SER 3 -13.458 -12.207 -23.201 12 HB3 SER 3 2HB SER 3 -12.778 -11.709 -21.665 13 HG SER 3 HG SER 3 -11.253 -11.775 -23.531 14 H GLY 4 H GLY 4 -11.534 -13.802 -19.810 15 HA2 GLY 4 1HA GLY 4 -12.167 -12.547 -17.757 16 HA3 GLY 4 2HA GLY 4 -13.688 -13.415 -17.818 17 H SER 5 H SER 5 -11.529 -13.416 -15.722 18 HA SER 5 HA SER 5 -11.440 -16.255 -15.443 19 HB2 SER 5 1HB SER 5 -9.018 -14.654 -16.135 20 HB3 SER 5 2HB SER 5 -8.814 -15.778 -14.806 21 HG SER 5 HG SER 5 -8.695 -16.366 -17.380 22 H SER 6 H SER 6 -9.722 -13.303 -14.161 23 HA SER 6 HA SER 6 -9.663 -12.391 -12.193 24 HB2 SER 6 1HB SER 6 -12.371 -13.595 -12.223 25 HB3 SER 6 2HB SER 6 -11.748 -13.321 -10.608 26 HG SER 6 HG SER 6 -12.005 -11.361 -12.725 27 H GLY 7 H GLY 7 -9.441 -12.920 -9.708 28 HA2 GLY 7 1HA GLY 7 -9.073 -15.680 -9.009 29 HA3 GLY 7 2HA GLY 7 -7.557 -14.850 -9.299 30 HA PRO 8 HA PRO 8 -9.406 -13.764 -5.130 31 HB2 PRO 8 1HB PRO 8 -8.597 -15.789 -3.483 32 HB3 PRO 8 2HB PRO 8 -10.208 -15.695 -4.165 33 HG2 PRO 8 1HG PRO 8 -7.968 -17.462 -4.940 34 HG3 PRO 8 2HG PRO 8 -9.675 -17.632 -5.299 35 HD2 PRO 8 1HD PRO 8 -7.625 -16.730 -7.091 36 HD3 PRO 8 2HD PRO 8 -9.347 -16.790 -7.413 37 H THR 9 H THR 9 -8.352 -12.345 -3.840 38 HA THR 9 HA THR 9 -5.433 -12.751 -3.801 39 HB THR 9 HB THR 9 -5.368 -10.186 -3.880 40 HG1 THR 9 1HG THR 9 -7.497 -9.608 -3.393 41 HG21 THR 9 1HG2 THR 9 -6.897 -11.320 -6.266 42 HG22 THR 9 2HG2 THR 9 -5.692 -10.011 -6.261 43 HG23 THR 9 3HG2 THR 9 -5.178 -11.694 -5.996 44 HA PRO 10 HA PRO 10 -6.625 -12.689 0.455 45 HB2 PRO 10 1HB PRO 10 -4.686 -14.404 1.332 46 HB3 PRO 10 2HB PRO 10 -6.273 -14.936 0.814 47 HG2 PRO 10 1HG PRO 10 -3.692 -15.146 -0.611 48 HG3 PRO 10 2HG PRO 10 -5.180 -16.026 -0.900 49 HD2 PRO 10 1HD PRO 10 -4.154 -13.836 -2.442 50 HD3 PRO 10 2HD PRO 10 -5.696 -14.639 -2.660 51 H LYS 11 H LYS 11 -5.409 -12.201 2.552 52 HA LYS 11 HA LYS 11 -3.180 -10.435 1.820 53 HB2 LYS 11 1HB LYS 11 -5.735 -9.754 2.998 54 HB3 LYS 11 2HB LYS 11 -4.438 -9.372 4.112 55 HG2 LYS 11 1HG LYS 11 -4.307 -7.439 2.875 56 HG3 LYS 11 2HG LYS 11 -3.313 -8.425 1.820 57 HD2 LYS 11 1HD LYS 11 -4.792 -7.967 0.159 58 HD3 LYS 11 2HD LYS 11 -5.927 -9.020 0.980 59 HE2 LYS 11 1HE LYS 11 -7.275 -7.242 1.382 60 HE3 LYS 11 2HE LYS 11 -6.019 -6.518 2.367 61 HZ1 LYS 11 1HZ LYS 11 -6.864 -5.785 -0.200 62 HZ2 LYS 11 2HZ LYS 11 -5.843 -5.000 0.803 63 HZ3 LYS 11 3HZ LYS 11 -5.266 -6.120 -0.235 64 H THR 12 H THR 12 -1.366 -10.531 3.128 65 HA THR 12 HA THR 12 -1.558 -12.061 5.602 66 HB THR 12 HB THR 12 0.392 -13.484 4.830 67 HG1 THR 12 1HG THR 12 -0.412 -12.275 2.280 68 HG21 THR 12 1HG2 THR 12 -0.847 -14.863 3.148 69 HG22 THR 12 2HG2 THR 12 -1.904 -14.422 4.510 70 HG23 THR 12 3HG2 THR 12 -2.038 -13.554 2.962 71 H GLU 13 H GLU 13 0.763 -12.068 6.670 72 HA GLU 13 HA GLU 13 2.427 -10.933 7.494 73 HB2 GLU 13 1HB GLU 13 2.418 -10.054 4.759 74 HB3 GLU 13 2HB GLU 13 2.738 -8.649 5.755 75 HG2 GLU 13 1HG GLU 13 4.374 -10.440 7.001 76 HG3 GLU 13 2HG GLU 13 4.376 -11.137 5.393 77 H LEU 14 H LEU 14 2.854 -8.985 8.821 78 HA LEU 14 HA LEU 14 0.452 -7.884 9.801 79 HB2 LEU 14 1HB LEU 14 3.125 -8.157 10.625 80 HB3 LEU 14 2HB LEU 14 2.817 -6.432 10.594 81 HG LEU 14 HG LEU 14 0.564 -7.522 11.858 82 HD11 LEU 14 1HD1 LEU 14 1.469 -8.877 13.677 83 HD12 LEU 14 2HD1 LEU 14 1.735 -9.657 12.099 84 HD13 LEU 14 3HD1 LEU 14 3.081 -8.833 12.922 85 HD21 LEU 14 1HD2 LEU 14 1.831 -5.377 12.289 86 HD22 LEU 14 2HD2 LEU 14 1.260 -6.250 13.731 87 HD23 LEU 14 3HD2 LEU 14 2.973 -6.343 13.254 88 H VAL 15 H VAL 15 0.011 -5.495 9.987 89 HA VAL 15 HA VAL 15 1.017 -4.037 7.656 90 HB VAL 15 HB VAL 15 -1.869 -4.402 8.475 91 HG11 VAL 15 1HG1 VAL 15 -1.104 -2.799 6.069 92 HG12 VAL 15 2HG1 VAL 15 -2.528 -2.668 7.129 93 HG13 VAL 15 3HG1 VAL 15 -0.955 -2.032 7.669 94 HG21 VAL 15 1HG2 VAL 15 -1.041 -4.854 5.678 95 HG22 VAL 15 2HG2 VAL 15 -0.350 -5.998 6.854 96 HG23 VAL 15 3HG2 VAL 15 -2.115 -5.807 6.729 97 H GLN 16 H GLN 16 1.285 -1.807 7.988 98 HA GLN 16 HA GLN 16 0.735 -0.980 10.733 99 HB2 GLN 16 1HB GLN 16 3.191 -0.838 9.092 100 HB3 GLN 16 2HB GLN 16 2.776 0.692 9.838 101 HG2 GLN 16 1HG GLN 16 2.589 -0.464 12.064 102 HG3 GLN 16 2HG GLN 16 3.051 -1.975 11.306 103 HE21 GLN 16 1HE2 GLN 16 5.105 -1.932 10.035 104 HE22 GLN 16 2HE2 GLN 16 6.456 -1.068 10.689 105 H LYS 17 H LYS 17 -0.979 0.412 10.727 106 HA LYS 17 HA LYS 17 -1.215 2.213 8.425 107 HB2 LYS 17 1HB LYS 17 -3.147 0.711 10.070 108 HB3 LYS 17 2HB LYS 17 -3.599 2.378 9.780 109 HG2 LYS 17 1HG LYS 17 -4.484 1.368 7.871 110 HG3 LYS 17 2HG LYS 17 -2.909 1.846 7.270 111 HD2 LYS 17 1HD LYS 17 -2.799 -0.360 6.625 112 HD3 LYS 17 2HD LYS 17 -2.238 -0.589 8.269 113 HE2 LYS 17 1HE LYS 17 -3.992 -1.990 8.605 114 HE3 LYS 17 2HE LYS 17 -5.059 -0.604 8.489 115 HZ1 LYS 17 1HZ LYS 17 -4.340 -2.518 6.423 116 HZ2 LYS 17 2HZ LYS 17 -5.812 -1.940 6.828 117 HZ3 LYS 17 3HZ LYS 17 -4.775 -1.009 5.976 118 H PHE 18 H PHE 18 -0.952 4.383 8.689 119 HA PHE 18 HA PHE 18 -0.941 5.366 11.449 120 HB2 PHE 18 1HB PHE 18 1.010 5.842 9.121 121 HB3 PHE 18 2HB PHE 18 1.006 6.851 10.553 122 HD1 PHE 18 2HD PHE 18 1.222 5.528 12.835 123 HD2 PHE 18 1HD PHE 18 2.438 4.026 9.057 124 HE1 PHE 18 2HE PHE 18 2.775 3.919 13.974 125 HE2 PHE 18 1HE PHE 18 3.991 2.417 10.196 126 HZ PHE 18 HZ PHE 18 4.141 2.383 12.641 127 H ARG 19 H ARG 19 -2.378 7.005 11.701 128 HA ARG 19 HA ARG 19 -3.694 8.052 9.476 129 HB2 ARG 19 1HB ARG 19 -4.941 7.987 11.511 130 HB3 ARG 19 2HB ARG 19 -3.644 8.709 12.442 131 HG2 ARG 19 1HG ARG 19 -4.258 10.852 11.890 132 HG3 ARG 19 2HG ARG 19 -4.615 10.433 10.226 133 HD2 ARG 19 1HD ARG 19 -6.833 9.850 10.692 134 HD3 ARG 19 2HD ARG 19 -6.476 9.357 12.335 135 HE ARG 19 HE ARG 19 -6.084 12.226 11.880 136 HH11 ARG 19 2HH2 ARG 19 -8.416 9.734 12.736 137 HH12 ARG 19 1HH2 ARG 19 -9.481 10.830 13.550 138 HH21 ARG 19 2HH1 ARG 19 -7.489 13.673 12.954 139 HH22 ARG 19 1HH1 ARG 19 -8.950 13.086 13.675 140 H VAL 20 H VAL 20 -2.686 9.432 8.035 141 HA VAL 20 HA VAL 20 -1.242 11.700 9.199 142 HB VAL 20 HB VAL 20 0.520 11.497 7.636 143 HG11 VAL 20 1HG1 VAL 20 0.786 10.090 9.600 144 HG12 VAL 20 2HG1 VAL 20 -0.099 8.764 8.808 145 HG13 VAL 20 3HG1 VAL 20 1.486 9.276 8.180 146 HG21 VAL 20 1HG2 VAL 20 0.602 9.599 5.979 147 HG22 VAL 20 2HG2 VAL 20 -1.108 9.282 6.355 148 HG23 VAL 20 3HG2 VAL 20 -0.628 10.840 5.640 149 H GLN 21 H GLN 21 -1.135 13.582 7.685 150 HA GLN 21 HA GLN 21 -3.646 13.730 6.294 151 HB2 GLN 21 1HB GLN 21 -1.601 15.721 7.271 152 HB3 GLN 21 2HB GLN 21 -2.709 16.214 6.006 153 HG2 GLN 21 1HG GLN 21 -4.646 15.529 7.444 154 HG3 GLN 21 2HG GLN 21 -3.532 15.051 8.710 155 HE21 GLN 21 1HE2 GLN 21 -5.356 17.533 7.380 156 HE22 GLN 21 2HE2 GLN 21 -4.730 18.884 8.264 157 H TYR 22 H TYR 22 -3.867 14.339 4.052 158 HA TYR 22 HA TYR 22 -1.519 13.584 2.480 159 HB2 TYR 22 1HB TYR 22 -4.050 12.667 2.412 160 HB3 TYR 22 2HB TYR 22 -4.378 14.151 1.541 161 HD1 TYR 22 1HD TYR 22 -1.223 13.676 0.476 162 HD2 TYR 22 2HD TYR 22 -5.009 11.702 0.200 163 HE1 TYR 22 1HE TYR 22 -0.494 12.564 -1.691 164 HE2 TYR 22 2HE TYR 22 -4.267 10.597 -1.966 165 HH TYR 22 HH TYR 22 -1.374 10.162 -2.865 166 H LEU 23 H LEU 23 -0.232 15.324 2.022 167 HA LEU 23 HA LEU 23 -1.316 17.938 1.779 168 HB2 LEU 23 1HB LEU 23 1.352 16.645 1.575 169 HB3 LEU 23 2HB LEU 23 1.148 18.189 0.770 170 HG LEU 23 HG LEU 23 0.060 18.696 3.250 171 HD11 LEU 23 1HD1 LEU 23 0.829 17.349 4.834 172 HD12 LEU 23 2HD1 LEU 23 1.519 16.303 3.570 173 HD13 LEU 23 3HD1 LEU 23 2.506 17.597 4.291 174 HD21 LEU 23 1HD2 LEU 23 1.795 19.923 1.742 175 HD22 LEU 23 2HD2 LEU 23 1.791 20.204 3.500 176 HD23 LEU 23 3HD2 LEU 23 2.996 19.112 2.776 177 H GLY 24 H GLY 24 -0.083 15.446 -0.534 178 HA2 GLY 24 1HA GLY 24 -1.761 15.562 -2.533 179 HA3 GLY 24 2HA GLY 24 -0.981 17.114 -2.771 180 H MET 25 H MET 25 -0.643 15.562 -4.880 181 HA MET 25 HA MET 25 1.900 14.198 -4.467 182 HB2 MET 25 1HB MET 25 -0.256 13.048 -5.486 183 HB3 MET 25 2HB MET 25 0.108 13.973 -6.930 184 HG2 MET 25 1HG MET 25 2.484 12.968 -6.829 185 HG3 MET 25 2HG MET 25 1.887 11.891 -5.582 186 HE1 MET 25 1HE MET 25 1.755 13.123 -9.117 187 HE2 MET 25 2HE MET 25 0.720 11.981 -10.007 188 HE3 MET 25 3HE MET 25 -0.016 13.211 -8.952 189 H LEU 26 H LEU 26 3.706 15.238 -5.184 190 HA LEU 26 HA LEU 26 3.328 17.176 -7.360 191 HB2 LEU 26 1HB LEU 26 3.833 18.070 -5.034 192 HB3 LEU 26 2HB LEU 26 5.417 17.337 -5.194 193 HG LEU 26 HG LEU 26 4.647 19.061 -7.463 194 HD11 LEU 26 1HD1 LEU 26 5.236 20.386 -4.807 195 HD12 LEU 26 2HD1 LEU 26 4.846 21.161 -6.361 196 HD13 LEU 26 3HD1 LEU 26 3.602 20.227 -5.495 197 HD21 LEU 26 1HD2 LEU 26 6.910 17.951 -6.927 198 HD22 LEU 26 2HD2 LEU 26 6.904 19.646 -7.471 199 HD23 LEU 26 3HD2 LEU 26 7.113 19.266 -5.745 200 HA PRO 27 HA PRO 27 6.083 14.528 -9.426 201 HB2 PRO 27 1HB PRO 27 6.272 15.926 -11.767 202 HB3 PRO 27 2HB PRO 27 4.968 14.808 -11.421 203 HG2 PRO 27 1HG PRO 27 4.925 17.764 -11.418 204 HG3 PRO 27 2HG PRO 27 3.577 16.647 -11.498 205 HD2 PRO 27 1HD PRO 27 4.434 18.140 -9.204 206 HD3 PRO 27 2HD PRO 27 3.161 16.937 -9.255 207 H VAL 28 H VAL 28 8.269 14.290 -10.101 208 HA VAL 28 HA VAL 28 9.843 16.711 -9.774 209 HB VAL 28 HB VAL 28 11.344 15.663 -8.181 210 HG11 VAL 28 1HG1 VAL 28 8.436 15.694 -7.314 211 HG12 VAL 28 2HG1 VAL 28 9.819 15.623 -6.196 212 HG13 VAL 28 3HG1 VAL 28 9.599 17.040 -7.250 213 HG21 VAL 28 1HG2 VAL 28 11.172 13.342 -8.661 214 HG22 VAL 28 2HG2 VAL 28 10.561 13.550 -7.002 215 HG23 VAL 28 3HG2 VAL 28 9.419 13.330 -8.350 216 H ASP 29 H ASP 29 12.007 16.497 -10.705 217 HA ASP 29 HA ASP 29 11.920 14.650 -12.890 218 HB2 ASP 29 1HB ASP 29 13.207 17.191 -12.259 219 HB3 ASP 29 2HB ASP 29 14.411 16.053 -12.830 220 H ARG 30 H ARG 30 13.997 15.492 -10.035 221 HA ARG 30 HA ARG 30 15.777 13.351 -10.579 222 HB2 ARG 30 1HB ARG 30 15.688 15.681 -8.850 223 HB3 ARG 30 2HB ARG 30 16.055 14.279 -7.865 224 HG2 ARG 30 1HG ARG 30 17.529 14.944 -10.456 225 HG3 ARG 30 2HG ARG 30 18.086 15.451 -8.874 226 HD2 ARG 30 1HD ARG 30 19.017 13.414 -8.495 227 HD3 ARG 30 2HD ARG 30 17.479 12.617 -8.762 228 HE ARG 30 HE ARG 30 18.261 13.156 -11.329 229 HH11 ARG 30 2HH2 ARG 30 19.964 11.700 -8.616 230 HH12 ARG 30 1HH2 ARG 30 20.977 10.713 -9.616 231 HH21 ARG 30 2HH1 ARG 30 19.596 11.854 -12.650 232 HH22 ARG 30 1HH1 ARG 30 20.766 10.801 -11.926 233 HA PRO 31 HA PRO 31 13.253 10.498 -8.362 234 HB2 PRO 31 1HB PRO 31 14.700 8.245 -8.909 235 HB3 PRO 31 2HB PRO 31 13.475 8.883 -9.988 236 HG2 PRO 31 1HG PRO 31 16.417 9.008 -10.244 237 HG3 PRO 31 2HG PRO 31 15.197 9.247 -11.478 238 HD2 PRO 31 1HD PRO 31 16.716 11.285 -10.149 239 HD3 PRO 31 2HD PRO 31 15.416 11.529 -11.299 240 H VAL 32 H VAL 32 16.245 11.638 -7.615 241 HA VAL 32 HA VAL 32 15.973 10.509 -4.951 242 HB VAL 32 HB VAL 32 18.313 9.853 -4.869 243 HG11 VAL 32 1HG1 VAL 32 16.783 8.560 -7.151 244 HG12 VAL 32 2HG1 VAL 32 18.185 7.847 -6.318 245 HG13 VAL 32 3HG1 VAL 32 16.674 8.142 -5.424 246 HG21 VAL 32 1HG2 VAL 32 18.952 11.503 -6.760 247 HG22 VAL 32 2HG2 VAL 32 19.814 9.949 -6.661 248 HG23 VAL 32 3HG2 VAL 32 18.520 10.174 -7.862 249 H GLY 33 H GLY 33 17.235 11.752 -3.338 250 HA2 GLY 33 1HA GLY 33 18.759 13.680 -3.094 251 HA3 GLY 33 2HA GLY 33 17.797 14.489 -4.315 252 H MET 34 H MET 34 18.327 15.221 -1.440 253 HA MET 34 HA MET 34 15.736 14.836 -0.242 254 HB2 MET 34 1HB MET 34 18.358 16.138 0.656 255 HB3 MET 34 2HB MET 34 16.912 16.206 1.643 256 HG2 MET 34 1HG MET 34 17.203 13.470 0.856 257 HG3 MET 34 2HG MET 34 18.801 14.011 1.329 258 HE1 MET 34 1HE MET 34 14.995 14.733 2.744 259 HE2 MET 34 2HE MET 34 15.360 13.091 2.161 260 HE3 MET 34 3HE MET 34 15.126 13.386 3.901 261 H ASP 35 H ASP 35 17.849 17.489 -1.486 262 HA ASP 35 HA ASP 35 16.527 19.659 -0.741 263 HB2 ASP 35 1HB ASP 35 18.147 18.868 -3.056 264 HB3 ASP 35 2HB ASP 35 16.976 20.089 -3.512 265 H THR 36 H THR 36 15.899 17.998 -3.935 266 HA THR 36 HA THR 36 13.567 19.331 -4.561 267 HB THR 36 HB THR 36 14.736 16.600 -5.241 268 HG1 THR 36 1HG THR 36 15.586 17.946 -6.784 269 HG21 THR 36 1HG2 THR 36 12.459 16.142 -5.757 270 HG22 THR 36 2HG2 THR 36 12.102 17.851 -6.106 271 HG23 THR 36 3HG2 THR 36 13.052 16.886 -7.262 272 H LEU 37 H LEU 37 13.985 16.292 -2.656 273 HA LEU 37 HA LEU 37 11.346 15.643 -2.368 274 HB2 LEU 37 1HB LEU 37 13.246 14.275 -1.664 275 HB3 LEU 37 2HB LEU 37 13.583 15.389 -0.354 276 HG LEU 37 HG LEU 37 10.958 14.746 0.138 277 HD11 LEU 37 1HD1 LEU 37 11.735 12.010 -0.077 278 HD12 LEU 37 2HD1 LEU 37 10.344 12.842 -0.814 279 HD13 LEU 37 3HD1 LEU 37 11.897 12.768 -1.680 280 HD21 LEU 37 1HD2 LEU 37 13.264 14.696 1.507 281 HD22 LEU 37 2HD2 LEU 37 11.757 13.963 2.106 282 HD23 LEU 37 3HD2 LEU 37 12.996 12.945 1.333 283 H ASN 38 H ASN 38 13.320 17.844 -0.261 284 HA ASN 38 HA ASN 38 11.157 18.510 1.354 285 HB2 ASN 38 1HB ASN 38 13.847 19.812 0.759 286 HB3 ASN 38 2HB ASN 38 12.704 20.603 1.827 287 HD21 ASN 38 1HD2 ASN 38 15.039 18.152 1.451 288 HD22 ASN 38 2HD2 ASN 38 14.959 17.436 3.026 289 H SER 39 H SER 39 12.886 20.313 -1.308 290 HA SER 39 HA SER 39 11.457 22.553 -1.406 291 HB2 SER 39 1HB SER 39 13.008 20.959 -3.313 292 HB3 SER 39 2HB SER 39 11.730 21.837 -4.129 293 HG SER 39 HG SER 39 14.042 22.800 -2.840 294 H ALA 40 H ALA 40 10.491 19.324 -2.672 295 HA ALA 40 HA ALA 40 8.198 20.163 -4.035 296 HB1 ALA 40 1HB ALA 40 9.095 17.551 -2.778 297 HB2 ALA 40 2HB ALA 40 7.550 17.702 -3.649 298 HB3 ALA 40 3HB ALA 40 9.083 18.007 -4.499 299 H ILE 41 H ILE 41 8.712 18.970 -0.649 300 HA ILE 41 HA ILE 41 6.055 19.046 0.122 301 HB ILE 41 HB ILE 41 8.605 19.424 1.688 302 HG12 ILE 41 1HG1 ILE 41 6.838 16.979 1.417 303 HG13 ILE 41 2HG1 ILE 41 8.252 17.268 0.423 304 HG21 ILE 41 1HG2 ILE 41 7.413 19.941 3.483 305 HG22 ILE 41 2HG2 ILE 41 5.909 19.874 2.532 306 HG23 ILE 41 3HG2 ILE 41 6.526 18.406 3.328 307 HD11 ILE 41 1HD1 ILE 41 8.272 17.154 3.475 308 HD12 ILE 41 2HD1 ILE 41 8.773 15.830 2.396 309 HD13 ILE 41 3HD1 ILE 41 9.696 17.352 2.426 310 H GLU 42 H GLU 42 8.608 21.557 0.773 311 HA GLU 42 HA GLU 42 7.101 23.437 1.874 312 HB2 GLU 42 1HB GLU 42 9.480 23.494 0.066 313 HB3 GLU 42 2HB GLU 42 8.653 25.025 0.281 314 HG2 GLU 42 1HG GLU 42 8.743 24.522 2.835 315 HG3 GLU 42 2HG GLU 42 9.888 23.258 2.431 316 H ASN 43 H ASN 43 7.185 22.566 -1.603 317 HA ASN 43 HA ASN 43 5.786 24.752 -2.538 318 HB2 ASN 43 1HB ASN 43 6.865 22.387 -3.610 319 HB3 ASN 43 2HB ASN 43 5.148 22.191 -3.898 320 HD21 ASN 43 1HD2 ASN 43 6.461 22.322 -6.085 321 HD22 ASN 43 2HD2 ASN 43 6.396 23.859 -6.882 322 H LEU 44 H LEU 44 4.612 21.340 -1.951 323 HA LEU 44 HA LEU 44 1.921 21.880 -2.236 324 HB2 LEU 44 1HB LEU 44 3.581 19.740 -1.038 325 HB3 LEU 44 2HB LEU 44 1.912 19.809 -0.508 326 HG LEU 44 HG LEU 44 2.815 19.609 -3.395 327 HD11 LEU 44 1HD1 LEU 44 2.655 17.358 -3.315 328 HD12 LEU 44 2HD1 LEU 44 3.041 17.618 -1.596 329 HD13 LEU 44 3HD1 LEU 44 1.351 17.378 -2.103 330 HD21 LEU 44 1HD2 LEU 44 0.393 19.034 -3.783 331 HD22 LEU 44 2HD2 LEU 44 0.068 19.607 -2.130 332 HD23 LEU 44 3HD2 LEU 44 0.721 20.729 -3.348 333 H MET 45 H MET 45 4.112 22.286 0.562 334 HA MET 45 HA MET 45 2.290 22.541 2.551 335 HB2 MET 45 1HB MET 45 5.042 23.475 1.950 336 HB3 MET 45 2HB MET 45 4.212 24.553 3.055 337 HG2 MET 45 1HG MET 45 3.693 21.792 3.831 338 HG3 MET 45 2HG MET 45 5.421 22.033 3.661 339 HE1 MET 45 1HE MET 45 5.432 21.510 6.442 340 HE2 MET 45 2HE MET 45 4.337 22.410 7.519 341 HE3 MET 45 3HE MET 45 3.669 21.371 6.237 342 H THR 46 H THR 46 3.677 25.300 0.613 343 HA THR 46 HA THR 46 1.766 27.140 1.633 344 HB THR 46 HB THR 46 2.822 28.587 -0.191 345 HG1 THR 46 1HG THR 46 4.119 27.470 -1.641 346 HG21 THR 46 1HG2 THR 46 4.082 27.502 2.133 347 HG22 THR 46 2HG2 THR 46 5.277 27.375 0.820 348 HG23 THR 46 3HG2 THR 46 4.572 28.956 1.231 349 H SER 47 H SER 47 1.594 24.645 -0.737 350 HA SER 47 HA SER 47 -0.151 25.884 -2.515 351 HB2 SER 47 1HB SER 47 1.174 23.672 -2.763 352 HB3 SER 47 2HB SER 47 -0.122 22.914 -1.859 353 HG SER 47 HG SER 47 -0.075 23.307 -4.465 354 H SER 48 H SER 48 -0.914 23.289 -0.070 355 HA SER 48 HA SER 48 -3.529 24.554 0.183 356 HB2 SER 48 1HB SER 48 -2.636 21.661 0.373 357 HB3 SER 48 2HB SER 48 -4.137 22.177 1.117 358 HG SER 48 HG SER 48 -4.890 21.719 -0.863 359 H SER 49 H SER 49 -4.544 24.354 2.420 360 HA SER 49 HA SER 49 -2.629 25.170 4.326 361 HB2 SER 49 1HB SER 49 -5.521 24.463 4.929 362 HB3 SER 49 2HB SER 49 -4.506 25.639 5.740 363 HG SER 49 HG SER 49 -4.822 27.104 4.147 364 H LYS 50 H LYS 50 -2.887 24.162 6.706 365 HA LYS 50 HA LYS 50 -1.975 21.501 6.501 366 HB2 LYS 50 1HB LYS 50 -0.999 22.587 8.261 367 HB3 LYS 50 2HB LYS 50 -2.444 23.489 8.670 368 HG2 LYS 50 1HG LYS 50 -3.410 21.675 9.850 369 HG3 LYS 50 2HG LYS 50 -2.434 20.480 9.020 370 HD2 LYS 50 1HD LYS 50 -0.384 21.415 10.182 371 HD3 LYS 50 2HD LYS 50 -1.427 22.502 11.077 372 HE2 LYS 50 1HE LYS 50 -1.844 19.482 11.106 373 HE3 LYS 50 2HE LYS 50 -0.775 20.281 12.241 374 HZ1 LYS 50 1HZ LYS 50 -2.794 21.756 12.672 375 HZ2 LYS 50 2HZ LYS 50 -3.664 20.562 11.976 376 HZ3 LYS 50 3HZ LYS 50 -2.781 20.255 13.315 377 H GLU 51 H GLU 51 -5.033 22.990 7.758 378 HA GLU 51 HA GLU 51 -6.166 20.507 8.366 379 HB2 GLU 51 1HB GLU 51 -7.438 23.234 7.874 380 HB3 GLU 51 2HB GLU 51 -8.312 21.849 8.498 381 HG2 GLU 51 1HG GLU 51 -5.789 22.932 9.828 382 HG3 GLU 51 2HG GLU 51 -7.394 23.497 10.250 383 H ASP 52 H ASP 52 -5.970 22.492 5.427 384 HA ASP 52 HA ASP 52 -8.095 21.498 4.039 385 HB2 ASP 52 1HB ASP 52 -5.806 23.081 3.518 386 HB3 ASP 52 2HB ASP 52 -5.694 21.767 2.364 387 H TRP 53 H TRP 53 -5.151 19.954 5.115 388 HA TRP 53 HA TRP 53 -5.099 17.942 3.064 389 HB2 TRP 53 1HB TRP 53 -3.643 17.947 5.707 390 HB3 TRP 53 2HB TRP 53 -3.254 17.026 4.267 391 HD1 TRP 53 HD TRP 53 -3.518 19.596 2.200 392 HE1 TRP 53 1HE TRP 53 -1.605 21.410 2.078 393 HE3 TRP 53 3HE TRP 53 -1.535 18.573 6.770 394 HZ2 TRP 53 2HZ TRP 53 0.476 22.196 3.866 395 HZ3 TRP 53 3HZ TRP 53 0.436 19.910 7.506 396 HH2 TRP 53 HH TRP 53 1.439 21.668 6.136 397 HA PRO 54 HA PRO 54 -8.142 15.582 5.148 398 HB2 PRO 54 1HB PRO 54 -8.267 13.500 3.382 399 HB3 PRO 54 2HB PRO 54 -9.162 14.992 3.170 400 HG2 PRO 54 1HG PRO 54 -6.735 14.069 1.756 401 HG3 PRO 54 2HG PRO 54 -7.871 15.319 1.287 402 HD2 PRO 54 1HD PRO 54 -5.261 15.707 2.411 403 HD3 PRO 54 2HD PRO 54 -6.442 16.950 2.049 404 H SER 55 H SER 55 -8.248 14.071 6.746 405 HA SER 55 HA SER 55 -5.722 13.016 7.433 406 HB2 SER 55 1HB SER 55 -7.945 11.797 8.878 407 HB3 SER 55 2HB SER 55 -6.671 12.838 9.482 408 HG SER 55 HG SER 55 -9.236 13.470 9.196 409 H VAL 56 H VAL 56 -4.907 11.382 6.131 410 HA VAL 56 HA VAL 56 -6.755 9.192 5.487 411 HB VAL 56 HB VAL 56 -5.403 8.749 3.576 412 HG11 VAL 56 1HG1 VAL 56 -5.777 10.721 2.259 413 HG12 VAL 56 2HG1 VAL 56 -7.085 10.614 3.461 414 HG13 VAL 56 3HG1 VAL 56 -5.746 11.761 3.703 415 HG21 VAL 56 1HG2 VAL 56 -3.238 9.443 4.845 416 HG22 VAL 56 2HG2 VAL 56 -3.323 9.678 3.082 417 HG23 VAL 56 3HG2 VAL 56 -3.564 11.060 4.177 418 H ASN 57 H ASN 57 -5.328 7.043 5.122 419 HA ASN 57 HA ASN 57 -3.655 6.872 7.505 420 HB2 ASN 57 1HB ASN 57 -5.645 4.929 6.268 421 HB3 ASN 57 2HB ASN 57 -4.348 4.318 7.275 422 HD21 ASN 57 1HD2 ASN 57 -7.433 4.884 7.398 423 HD22 ASN 57 2HD2 ASN 57 -7.673 5.489 9.003 424 H MET 58 H MET 58 -1.670 5.631 7.273 425 HA MET 58 HA MET 58 -1.003 5.103 4.486 426 HB2 MET 58 1HB MET 58 0.326 6.824 5.889 427 HB3 MET 58 2HB MET 58 0.882 5.486 6.875 428 HG2 MET 58 1HG MET 58 2.625 5.538 5.344 429 HG3 MET 58 2HG MET 58 1.555 4.450 4.483 430 HE1 MET 58 1HE MET 58 1.545 8.951 4.040 431 HE2 MET 58 2HE MET 58 2.126 7.960 5.400 432 HE3 MET 58 3HE MET 58 3.195 8.284 4.013 433 H ASN 59 H ASN 59 -1.419 2.952 4.071 434 HA ASN 59 HA ASN 59 -1.045 1.028 6.125 435 HB2 ASN 59 1HB ASN 59 -2.845 0.727 4.467 436 HB3 ASN 59 2HB ASN 59 -1.699 0.795 3.144 437 HD21 ASN 59 1HD2 ASN 59 -3.623 -1.248 4.489 438 HD22 ASN 59 2HD2 ASN 59 -2.716 -2.724 4.516 439 H VAL 60 H VAL 60 0.712 -0.460 6.295 440 HA VAL 60 HA VAL 60 2.730 -0.353 4.179 441 HB VAL 60 HB VAL 60 3.224 -0.014 7.144 442 HG11 VAL 60 1HG1 VAL 60 5.382 0.133 5.056 443 HG12 VAL 60 2HG1 VAL 60 5.504 -0.218 6.796 444 HG13 VAL 60 3HG1 VAL 60 4.866 -1.451 5.682 445 HG21 VAL 60 1HG2 VAL 60 2.919 2.157 6.670 446 HG22 VAL 60 2HG2 VAL 60 4.465 2.062 5.793 447 HG23 VAL 60 3HG2 VAL 60 2.930 1.864 4.914 448 H ALA 61 H ALA 61 2.518 -2.403 3.382 449 HA ALA 61 HA ALA 61 3.216 -4.555 5.150 450 HB1 ALA 61 1HB ALA 61 0.973 -4.791 5.693 451 HB2 ALA 61 2HB ALA 61 0.416 -4.145 4.130 452 HB3 ALA 61 3HB ALA 61 1.060 -5.801 4.230 453 H ASP 62 H ASP 62 3.366 -6.663 3.819 454 HA ASP 62 HA ASP 62 4.507 -7.604 2.203 455 HB2 ASP 62 1HB ASP 62 1.957 -7.048 1.357 456 HB3 ASP 62 2HB ASP 62 2.869 -6.261 0.084 457 H ALA 63 H ALA 63 5.632 -5.025 2.980 458 HA ALA 63 HA ALA 63 7.018 -3.428 2.316 459 HB1 ALA 63 1HB ALA 63 7.881 -4.629 -0.204 460 HB2 ALA 63 2HB ALA 63 8.789 -4.388 1.308 461 HB3 ALA 63 3HB ALA 63 7.778 -5.838 1.099 462 H THR 64 H THR 64 4.557 -2.574 1.837 463 HA THR 64 HA THR 64 4.850 -1.148 -0.681 464 HB THR 64 HB THR 64 2.452 -2.911 0.043 465 HG1 THR 64 1HG THR 64 4.522 -2.739 -2.026 466 HG21 THR 64 1HG2 THR 64 2.853 -1.304 -2.515 467 HG22 THR 64 2HG2 THR 64 1.370 -2.098 -1.933 468 HG23 THR 64 3HG2 THR 64 1.959 -0.619 -1.137 469 H VAL 65 H VAL 65 3.537 0.790 -0.801 470 HA VAL 65 HA VAL 65 2.649 1.630 1.873 471 HB VAL 65 HB VAL 65 4.371 2.954 -0.180 472 HG11 VAL 65 1HG1 VAL 65 2.342 4.332 1.568 473 HG12 VAL 65 2HG1 VAL 65 3.881 5.132 1.169 474 HG13 VAL 65 3HG1 VAL 65 2.769 4.641 -0.132 475 HG21 VAL 65 1HG2 VAL 65 5.890 2.861 1.452 476 HG22 VAL 65 2HG2 VAL 65 4.801 3.697 2.584 477 HG23 VAL 65 3HG2 VAL 65 4.723 1.927 2.418 478 H THR 66 H THR 66 0.446 1.354 1.706 479 HA THR 66 HA THR 66 -0.826 2.607 -0.639 480 HB THR 66 HB THR 66 -1.740 0.302 1.164 481 HG1 THR 66 1HG THR 66 -0.973 -0.894 -0.596 482 HG21 THR 66 1HG2 THR 66 -3.058 0.452 -1.401 483 HG22 THR 66 2HG2 THR 66 -3.801 0.549 0.214 484 HG23 THR 66 3HG2 THR 66 -3.244 2.031 -0.600 485 H VAL 67 H VAL 67 -1.811 4.486 -0.293 486 HA VAL 67 HA VAL 67 -2.304 5.280 2.442 487 HB VAL 67 HB VAL 67 -2.672 6.722 -0.192 488 HG11 VAL 67 1HG1 VAL 67 -2.414 8.714 1.568 489 HG12 VAL 67 2HG1 VAL 67 -3.995 7.998 1.170 490 HG13 VAL 67 3HG1 VAL 67 -3.142 7.505 2.652 491 HG21 VAL 67 1HG2 VAL 67 -0.569 7.896 1.205 492 HG22 VAL 67 2HG2 VAL 67 -0.319 6.149 1.439 493 HG23 VAL 67 3HG2 VAL 67 -0.435 6.819 -0.206 494 H ILE 68 H ILE 68 -4.073 4.258 3.317 495 HA ILE 68 HA ILE 68 -6.463 4.066 1.660 496 HB ILE 68 HB ILE 68 -5.819 2.889 4.367 497 HG12 ILE 68 1HG1 ILE 68 -5.547 1.830 1.559 498 HG13 ILE 68 2HG1 ILE 68 -4.368 1.830 2.856 499 HG21 ILE 68 1HG2 ILE 68 -7.926 2.205 4.530 500 HG22 ILE 68 2HG2 ILE 68 -8.314 3.297 3.179 501 HG23 ILE 68 3HG2 ILE 68 -7.927 1.589 2.860 502 HD11 ILE 68 1HD1 ILE 68 -6.208 0.352 4.110 503 HD12 ILE 68 2HD1 ILE 68 -6.744 0.021 2.445 504 HD13 ILE 68 3HD1 ILE 68 -5.084 -0.386 2.943 505 H SER 69 H SER 69 -8.444 5.045 2.218 506 HA SER 69 HA SER 69 -8.215 7.536 3.368 507 HB2 SER 69 1HB SER 69 -9.993 7.049 1.796 508 HB3 SER 69 2HB SER 69 -10.630 5.769 2.809 509 HG SER 69 HG SER 69 -11.084 7.454 4.450 510 H GLU 70 H GLU 70 -9.505 8.340 5.337 511 HA GLU 70 HA GLU 70 -8.743 6.756 7.549 512 HB2 GLU 70 1HB GLU 70 -8.541 8.994 8.079 513 HB3 GLU 70 2HB GLU 70 -9.910 9.470 7.094 514 HG2 GLU 70 1HG GLU 70 -11.485 8.571 8.777 515 HG3 GLU 70 2HG GLU 70 -10.153 7.960 9.739 516 H LYS 71 H LYS 71 -11.913 7.860 6.165 517 HA LYS 71 HA LYS 71 -13.465 6.460 8.047 518 HB2 LYS 71 1HB LYS 71 -14.053 7.642 5.326 519 HB3 LYS 71 2HB LYS 71 -15.279 6.839 6.285 520 HG2 LYS 71 1HG LYS 71 -15.586 8.968 7.118 521 HG3 LYS 71 2HG LYS 71 -14.305 8.475 8.208 522 HD2 LYS 71 1HD LYS 71 -12.710 9.808 7.174 523 HD3 LYS 71 2HD LYS 71 -13.419 9.619 5.583 524 HE2 LYS 71 1HE LYS 71 -14.788 11.450 5.828 525 HE3 LYS 71 2HE LYS 71 -15.169 11.071 7.496 526 HZ1 LYS 71 1HZ LYS 71 -13.645 13.069 6.853 527 HZ2 LYS 71 2HZ LYS 71 -13.402 12.232 8.234 528 HZ3 LYS 71 3HZ LYS 71 -12.469 11.937 6.926 529 H ASN 72 H ASN 72 -13.656 5.739 4.530 530 HA ASN 72 HA ASN 72 -14.300 3.105 4.975 531 HB2 ASN 72 1HB ASN 72 -13.036 4.445 2.527 532 HB3 ASN 72 2HB ASN 72 -13.707 2.826 2.504 533 HD21 ASN 72 1HD2 ASN 72 -15.883 2.494 2.545 534 HD22 ASN 72 2HD2 ASN 72 -17.066 3.746 2.366 535 H GLU 73 H GLU 73 -12.990 1.123 4.569 536 HA GLU 73 HA GLU 73 -10.158 1.635 5.031 537 HB2 GLU 73 1HB GLU 73 -11.874 -0.770 5.788 538 HB3 GLU 73 2HB GLU 73 -10.138 -0.695 6.015 539 HG2 GLU 73 1HG GLU 73 -10.453 0.371 7.988 540 HG3 GLU 73 2HG GLU 73 -11.176 1.719 7.134 541 H GLU 74 H GLU 74 -12.582 0.156 2.950 542 HA GLU 74 HA GLU 74 -10.675 -1.495 1.614 543 HB2 GLU 74 1HB GLU 74 -13.606 -1.044 1.538 544 HB3 GLU 74 2HB GLU 74 -12.906 -1.407 -0.026 545 HG2 GLU 74 1HG GLU 74 -12.175 -3.091 2.391 546 HG3 GLU 74 2HG GLU 74 -13.676 -3.388 1.538 547 H GLU 75 H GLU 75 -11.390 1.817 1.629 548 HA GLU 75 HA GLU 75 -11.077 2.222 -1.178 549 HB2 GLU 75 1HB GLU 75 -12.252 3.677 0.832 550 HB3 GLU 75 2HB GLU 75 -10.724 4.522 0.687 551 HG2 GLU 75 1HG GLU 75 -12.652 3.946 -1.613 552 HG3 GLU 75 2HG GLU 75 -12.454 5.496 -0.818 553 H VAL 76 H VAL 76 -9.218 2.941 -2.275 554 HA VAL 76 HA VAL 76 -6.799 3.115 -0.614 555 HB VAL 76 HB VAL 76 -7.244 1.759 -3.275 556 HG11 VAL 76 1HG1 VAL 76 -5.099 2.021 -3.836 557 HG12 VAL 76 2HG1 VAL 76 -4.941 3.179 -2.493 558 HG13 VAL 76 3HG1 VAL 76 -4.559 1.460 -2.235 559 HG21 VAL 76 1HG2 VAL 76 -7.695 0.082 -1.816 560 HG22 VAL 76 2HG2 VAL 76 -5.920 -0.025 -1.728 561 HG23 VAL 76 3HG2 VAL 76 -6.821 0.863 -0.476 562 H LEU 77 H LEU 77 -6.525 5.321 -0.509 563 HA LEU 77 HA LEU 77 -7.224 7.065 -2.580 564 HB2 LEU 77 1HB LEU 77 -5.317 7.378 -0.259 565 HB3 LEU 77 2HB LEU 77 -5.822 8.687 -1.309 566 HG LEU 77 HG LEU 77 -7.951 7.078 0.041 567 HD11 LEU 77 1HD1 LEU 77 -7.695 8.853 1.959 568 HD12 LEU 77 2HD1 LEU 77 -6.754 7.342 1.984 569 HD13 LEU 77 3HD1 LEU 77 -5.991 8.857 1.443 570 HD21 LEU 77 1HD2 LEU 77 -9.058 9.295 0.131 571 HD22 LEU 77 2HD2 LEU 77 -7.642 10.005 -0.680 572 HD23 LEU 77 3HD2 LEU 77 -8.631 8.786 -1.520 573 H VAL 78 H VAL 78 -4.020 5.680 -1.586 574 HA VAL 78 HA VAL 78 -3.193 5.885 -4.362 575 HB VAL 78 HB VAL 78 -1.972 7.379 -2.065 576 HG11 VAL 78 1HG1 VAL 78 -0.486 6.622 -4.603 577 HG12 VAL 78 2HG1 VAL 78 0.119 7.630 -3.267 578 HG13 VAL 78 3HG1 VAL 78 -0.202 5.900 -3.001 579 HG21 VAL 78 1HG2 VAL 78 -3.006 9.011 -3.215 580 HG22 VAL 78 2HG2 VAL 78 -1.659 8.855 -4.369 581 HG23 VAL 78 3HG2 VAL 78 -3.191 8.000 -4.669 582 H GLU 79 H GLU 79 -1.626 4.320 -4.929 583 HA GLU 79 HA GLU 79 -0.947 2.521 -2.737 584 HB2 GLU 79 1HB GLU 79 -2.694 1.478 -4.100 585 HB3 GLU 79 2HB GLU 79 -1.801 1.802 -5.573 586 HG2 GLU 79 1HG GLU 79 -0.060 0.386 -3.741 587 HG3 GLU 79 2HG GLU 79 -1.582 -0.477 -3.835 588 H CYS 80 H CYS 80 1.229 2.594 -2.400 589 HA CYS 80 HA CYS 80 2.902 2.913 -4.786 590 HB2 CYS 80 1HB CYS 80 2.790 4.842 -3.019 591 HB3 CYS 80 2HB CYS 80 3.805 3.792 -2.049 592 HG CYS 80 HG CYS 80 5.783 4.673 -3.021 593 H ARG 81 H ARG 81 4.894 1.636 -4.782 594 HA ARG 81 HA ARG 81 4.838 -0.469 -2.771 595 HB2 ARG 81 1HB ARG 81 5.299 -0.647 -5.778 596 HB3 ARG 81 2HB ARG 81 5.890 -1.901 -4.706 597 HG2 ARG 81 1HG ARG 81 3.695 -2.515 -4.002 598 HG3 ARG 81 2HG ARG 81 2.995 -1.002 -4.542 599 HD2 ARG 81 1HD ARG 81 2.359 -2.204 -6.388 600 HD3 ARG 81 2HD ARG 81 4.008 -1.947 -6.922 601 HE ARG 81 HE ARG 81 4.495 -4.204 -6.480 602 HH11 ARG 81 2HH2 ARG 81 1.425 -3.344 -4.990 603 HH12 ARG 81 1HH2 ARG 81 1.022 -4.977 -4.578 604 HH21 ARG 81 2HH1 ARG 81 3.964 -6.359 -5.936 605 HH22 ARG 81 1HH1 ARG 81 2.476 -6.704 -5.119 606 H VAL 82 H VAL 82 6.831 -0.929 -1.786 607 HA VAL 82 HA VAL 82 8.879 0.935 -1.981 608 HB VAL 82 HB VAL 82 10.074 -0.498 -0.502 609 HG11 VAL 82 1HG1 VAL 82 7.723 -1.364 0.779 610 HG12 VAL 82 2HG1 VAL 82 8.602 0.160 1.042 611 HG13 VAL 82 3HG1 VAL 82 7.263 0.096 -0.129 612 HG21 VAL 82 1HG2 VAL 82 8.942 -2.846 -0.041 613 HG22 VAL 82 2HG2 VAL 82 8.394 -2.659 -1.725 614 HG23 VAL 82 3HG2 VAL 82 10.133 -2.638 -1.347 615 H ARG 83 H ARG 83 8.035 -1.755 -4.019 616 HA ARG 83 HA ARG 83 10.682 -2.173 -4.948 617 HB2 ARG 83 1HB ARG 83 9.694 -3.793 -6.445 618 HB3 ARG 83 2HB ARG 83 8.798 -3.911 -4.944 619 HG2 ARG 83 1HG ARG 83 6.942 -3.671 -6.252 620 HG3 ARG 83 2HG ARG 83 7.344 -1.965 -6.257 621 HD2 ARG 83 1HD ARG 83 8.323 -2.057 -8.408 622 HD3 ARG 83 2HD ARG 83 8.664 -3.772 -8.297 623 HE ARG 83 HE ARG 83 5.817 -3.349 -8.181 624 HH11 ARG 83 2HH2 ARG 83 8.513 -3.277 -10.441 625 HH12 ARG 83 1HH2 ARG 83 7.531 -3.635 -11.822 626 HH21 ARG 83 2HH1 ARG 83 4.521 -3.821 -10.002 627 HH22 ARG 83 1HH1 ARG 83 5.245 -3.947 -11.571 628 H PHE 84 H PHE 84 8.191 0.150 -5.493 629 HA PHE 84 HA PHE 84 9.308 0.811 -8.125 630 HB2 PHE 84 1HB PHE 84 6.624 0.857 -6.785 631 HB3 PHE 84 2HB PHE 84 6.974 2.316 -7.690 632 HD1 PHE 84 2HD PHE 84 8.344 1.458 -10.050 633 HD2 PHE 84 1HD PHE 84 5.183 -0.477 -7.983 634 HE1 PHE 84 2HE PHE 84 7.662 0.304 -12.173 635 HE2 PHE 84 1HE PHE 84 4.501 -1.631 -10.105 636 HZ PHE 84 HZ PHE 84 5.749 -1.226 -12.175 637 H LEU 85 H LEU 85 9.551 1.598 -4.872 638 HA LEU 85 HA LEU 85 9.468 4.438 -5.086 639 HB2 LEU 85 1HB LEU 85 9.762 2.429 -3.040 640 HB3 LEU 85 2HB LEU 85 10.986 3.668 -2.845 641 HG LEU 85 HG LEU 85 8.188 4.593 -3.299 642 HD11 LEU 85 1HD1 LEU 85 9.033 2.934 -0.981 643 HD12 LEU 85 2HD1 LEU 85 8.068 4.389 -0.635 644 HD13 LEU 85 3HD1 LEU 85 7.432 3.139 -1.732 645 HD21 LEU 85 1HD2 LEU 85 9.761 5.720 -1.099 646 HD22 LEU 85 2HD2 LEU 85 10.573 5.818 -2.680 647 HD23 LEU 85 3HD2 LEU 85 8.951 6.520 -2.468 648 H SER 86 H SER 86 11.253 5.912 -5.071 649 HA SER 86 HA SER 86 13.674 4.662 -6.113 650 HB2 SER 86 1HB SER 86 12.247 7.231 -6.809 651 HB3 SER 86 2HB SER 86 13.983 7.146 -7.029 652 HG SER 86 HG SER 86 12.588 6.501 -8.913 653 H PHE 87 H PHE 87 12.206 6.972 -3.835 654 HA PHE 87 HA PHE 87 14.344 6.802 -2.059 655 HB2 PHE 87 1HB PHE 87 15.285 8.270 -3.999 656 HB3 PHE 87 2HB PHE 87 14.068 9.459 -3.581 657 HD1 PHE 87 1HD PHE 87 14.249 10.759 -1.529 658 HD2 PHE 87 2HD PHE 87 17.203 7.890 -2.555 659 HE1 PHE 87 1HE PHE 87 15.803 11.750 0.174 660 HE2 PHE 87 2HE PHE 87 18.757 8.881 -0.851 661 HZ PHE 87 HZ PHE 87 18.038 10.799 0.493 662 H MET 88 H MET 88 14.123 8.651 -0.298 663 HA MET 88 HA MET 88 11.608 9.937 -0.231 664 HB2 MET 88 1HB MET 88 10.632 8.669 1.639 665 HB3 MET 88 2HB MET 88 11.009 7.534 0.358 666 HG2 MET 88 1HG MET 88 13.251 7.983 2.263 667 HG3 MET 88 2HG MET 88 11.826 7.277 3.000 668 HE1 MET 88 1HE MET 88 10.400 5.789 1.672 669 HE2 MET 88 2HE MET 88 10.892 4.817 0.264 670 HE3 MET 88 3HE MET 88 11.139 4.188 1.911 671 H GLY 89 H GLY 89 11.586 9.776 2.821 672 HA2 GLY 89 1HA GLY 89 13.404 10.306 4.440 673 HA3 GLY 89 2HA GLY 89 13.950 11.497 3.276 674 H VAL 90 H VAL 90 13.093 12.017 6.029 675 HA VAL 90 HA VAL 90 10.448 13.104 5.891 676 HB VAL 90 HB VAL 90 12.658 13.329 7.944 677 HG11 VAL 90 1HG1 VAL 90 11.358 14.638 9.230 678 HG12 VAL 90 2HG1 VAL 90 10.475 14.992 7.726 679 HG13 VAL 90 3HG1 VAL 90 9.881 13.728 8.830 680 HG21 VAL 90 1HG2 VAL 90 10.778 11.219 7.278 681 HG22 VAL 90 2HG2 VAL 90 12.135 11.213 8.431 682 HG23 VAL 90 3HG2 VAL 90 10.533 11.795 8.944 683 H GLY 91 H GLY 91 9.837 15.274 5.692 684 HA2 GLY 91 1HA GLY 91 11.590 16.924 4.174 685 HA3 GLY 91 2HA GLY 91 9.998 17.332 4.781 686 H LYS 92 H LYS 92 11.229 19.489 5.082 687 HA LYS 92 HA LYS 92 13.263 19.927 6.792 688 HB2 LYS 92 1HB LYS 92 10.732 21.544 6.394 689 HB3 LYS 92 2HB LYS 92 12.130 22.130 7.271 690 HG2 LYS 92 1HG LYS 92 12.453 21.010 4.468 691 HG3 LYS 92 2HG LYS 92 11.907 22.659 4.697 692 HD2 LYS 92 1HD LYS 92 13.952 23.060 6.164 693 HD3 LYS 92 2HD LYS 92 14.515 21.457 5.735 694 HE2 LYS 92 1HE LYS 92 14.472 22.108 3.306 695 HE3 LYS 92 2HE LYS 92 13.949 23.719 3.757 696 HZ1 LYS 92 1HZ LYS 92 16.001 24.251 4.343 697 HZ2 LYS 92 2HZ LYS 92 16.258 22.874 5.182 698 HZ3 LYS 92 3HZ LYS 92 16.501 22.904 3.567 699 H ASP 93 H ASP 93 9.770 19.943 7.814 700 HA ASP 93 HA ASP 93 10.545 19.823 10.526 701 HB2 ASP 93 1HB ASP 93 8.122 20.203 8.972 702 HB3 ASP 93 2HB ASP 93 7.817 18.983 10.193 703 H VAL 94 H VAL 94 9.681 17.981 12.003 704 HA VAL 94 HA VAL 94 10.388 15.458 10.790 705 HB VAL 94 HB VAL 94 10.267 14.638 13.103 706 HG11 VAL 94 1HG1 VAL 94 12.410 15.355 12.599 707 HG12 VAL 94 2HG1 VAL 94 11.915 17.054 12.405 708 HG13 VAL 94 3HG1 VAL 94 12.035 16.342 14.032 709 HG21 VAL 94 1HG2 VAL 94 10.120 16.958 14.655 710 HG22 VAL 94 2HG2 VAL 94 8.778 17.109 13.494 711 HG23 VAL 94 3HG2 VAL 94 8.896 15.671 14.536 712 H HIS 95 H HIS 95 7.566 17.343 11.256 713 HA HIS 95 HA HIS 95 5.864 15.002 11.480 714 HB2 HIS 95 1HB HIS 95 4.681 17.706 11.195 715 HB3 HIS 95 2HB HIS 95 4.233 16.382 12.252 716 HD1 HIS 95 1HD HIS 95 7.006 19.012 11.960 717 HD2 HIS 95 2HD HIS 95 5.021 16.716 14.856 718 HE1 HIS 95 1HE HIS 95 7.870 19.813 14.223 719 H THR 96 H THR 96 7.625 15.864 9.067 720 HA THR 96 HA THR 96 5.430 15.735 7.109 721 HB THR 96 HB THR 96 7.113 17.129 5.668 722 HG1 THR 96 1HG THR 96 8.403 18.441 7.385 723 HG21 THR 96 1HG2 THR 96 6.243 19.200 6.448 724 HG22 THR 96 2HG2 THR 96 5.005 18.040 6.985 725 HG23 THR 96 3HG2 THR 96 6.213 18.651 8.141 726 H PHE 97 H PHE 97 5.567 14.176 5.580 727 HA PHE 97 HA PHE 97 8.144 12.830 5.307 728 HB2 PHE 97 1HB PHE 97 6.802 11.516 6.921 729 HB3 PHE 97 2HB PHE 97 5.366 11.675 5.928 730 HD1 PHE 97 2HD PHE 97 8.859 10.379 5.598 731 HD2 PHE 97 1HD PHE 97 4.749 9.836 4.692 732 HE1 PHE 97 2HE PHE 97 9.395 8.198 4.476 733 HE2 PHE 97 1HE PHE 97 5.285 7.656 3.569 734 HZ PHE 97 HZ PHE 97 7.601 6.863 3.475 735 H ALA 98 H ALA 98 8.587 12.089 3.222 736 HA ALA 98 HA ALA 98 6.430 11.999 1.298 737 HB1 ALA 98 1HB ALA 98 6.981 14.350 1.190 738 HB2 ALA 98 2HB ALA 98 8.723 13.991 1.135 739 HB3 ALA 98 3HB ALA 98 7.681 13.559 -0.242 740 H PHE 99 H PHE 99 6.993 10.749 -0.570 741 HA PHE 99 HA PHE 99 9.685 9.635 -0.565 742 HB2 PHE 99 1HB PHE 99 8.707 7.350 -0.658 743 HB3 PHE 99 2HB PHE 99 8.113 8.154 0.781 744 HD1 PHE 99 1HD PHE 99 7.178 7.497 -2.765 745 HD2 PHE 99 2HD PHE 99 5.828 8.231 1.191 746 HE1 PHE 99 1HE PHE 99 4.817 7.048 -3.487 747 HE2 PHE 99 2HE PHE 99 3.467 7.782 0.468 748 HZ PHE 99 HZ PHE 99 2.989 7.196 -1.862 749 H ILE 100 H ILE 100 10.471 9.200 -2.622 750 HA ILE 100 HA ILE 100 8.758 10.076 -4.789 751 HB ILE 100 HB ILE 100 11.689 9.350 -4.701 752 HG12 ILE 100 1HG1 ILE 100 10.321 12.057 -4.707 753 HG13 ILE 100 2HG1 ILE 100 11.128 11.320 -3.337 754 HG21 ILE 100 1HG2 ILE 100 11.864 10.315 -6.902 755 HG22 ILE 100 2HG2 ILE 100 10.644 9.019 -6.926 756 HG23 ILE 100 3HG2 ILE 100 10.131 10.724 -6.906 757 HD11 ILE 100 1HD1 ILE 100 13.265 11.245 -4.664 758 HD12 ILE 100 2HD1 ILE 100 12.429 12.088 -5.990 759 HD13 ILE 100 3HD1 ILE 100 12.656 12.900 -4.422 760 H MET 101 H MET 101 7.673 8.727 -6.124 761 HA MET 101 HA MET 101 8.491 5.925 -6.019 762 HB2 MET 101 1HB MET 101 6.146 5.326 -6.228 763 HB3 MET 101 2HB MET 101 6.206 6.582 -5.008 764 HG2 MET 101 1HG MET 101 5.727 8.277 -6.889 765 HG3 MET 101 2HG MET 101 5.420 6.908 -7.939 766 HE1 MET 101 1HE MET 101 4.285 4.845 -6.763 767 HE2 MET 101 2HE MET 101 2.704 4.985 -5.956 768 HE3 MET 101 3HE MET 101 2.868 5.417 -7.675 769 H ASP 102 H ASP 102 8.259 4.668 -8.021 770 HA ASP 102 HA ASP 102 8.487 6.424 -10.326 771 HB2 ASP 102 1HB ASP 102 10.453 5.119 -10.195 772 HB3 ASP 102 2HB ASP 102 9.598 3.708 -9.604 773 H THR 103 H THR 103 6.446 6.555 -11.311 774 HA THR 103 HA THR 103 4.661 4.278 -11.204 775 HB THR 103 HB THR 103 3.112 5.936 -12.305 776 HG1 THR 103 1HG THR 103 4.066 7.911 -12.946 777 HG21 THR 103 1HG2 THR 103 4.250 6.186 -9.695 778 HG22 THR 103 2HG2 THR 103 4.245 7.825 -10.389 779 HG23 THR 103 3HG2 THR 103 2.726 6.904 -10.272 780 H GLY 104 H GLY 104 7.151 5.490 -13.285 781 HA2 GLY 104 1HA GLY 104 7.888 3.938 -14.978 782 HA3 GLY 104 2HA GLY 104 6.212 3.636 -15.388 783 H ASN 105 H ASN 105 8.186 4.474 -17.297 784 HA ASN 105 HA ASN 105 8.371 5.835 -18.975 785 HB2 ASN 105 1HB ASN 105 5.692 6.600 -17.905 786 HB3 ASN 105 2HB ASN 105 6.457 7.858 -18.856 787 HD21 ASN 105 1HD2 ASN 105 4.267 5.610 -19.110 788 HD22 ASN 105 2HD2 ASN 105 4.489 5.011 -20.720 789 H GLN 106 H GLN 106 10.218 6.417 -17.213 790 HA GLN 106 HA GLN 106 11.297 7.889 -15.962 791 HB2 GLN 106 1HB GLN 106 10.673 9.434 -18.509 792 HB3 GLN 106 2HB GLN 106 11.821 10.013 -17.318 793 HG2 GLN 106 1HG GLN 106 13.427 8.562 -18.020 794 HG3 GLN 106 2HG GLN 106 12.329 7.198 -17.950 795 HE21 GLN 106 1HE2 GLN 106 14.363 8.469 -19.925 796 HE22 GLN 106 2HE2 GLN 106 13.577 8.365 -21.466 797 H ARG 107 H ARG 107 8.536 7.808 -15.154 798 HA ARG 107 HA ARG 107 8.128 10.622 -14.527 799 HB2 ARG 107 1HB ARG 107 6.339 8.771 -15.704 800 HB3 ARG 107 2HB ARG 107 5.802 8.878 -14.040 801 HG2 ARG 107 1HG ARG 107 6.466 11.496 -15.314 802 HG3 ARG 107 2HG ARG 107 5.093 10.662 -16.016 803 HD2 ARG 107 1HD ARG 107 5.002 10.560 -13.079 804 HD3 ARG 107 2HD ARG 107 5.095 12.214 -13.650 805 HE ARG 107 HE ARG 107 2.799 10.524 -13.826 806 HH11 ARG 107 2HH2 ARG 107 4.596 12.815 -15.802 807 HH12 ARG 107 1HH2 ARG 107 3.218 13.279 -16.743 808 HH21 ARG 107 2HH1 ARG 107 0.981 11.136 -15.067 809 HH22 ARG 107 1HH1 ARG 107 1.148 12.317 -16.322 810 H PHE 108 H PHE 108 8.226 11.181 -12.355 811 HA PHE 108 HA PHE 108 8.018 8.978 -10.429 812 HB2 PHE 108 1HB PHE 108 9.849 11.442 -10.294 813 HB3 PHE 108 2HB PHE 108 9.904 10.052 -9.227 814 HD1 PHE 108 2HD PHE 108 9.940 7.761 -10.943 815 HD2 PHE 108 1HD PHE 108 11.780 11.537 -11.542 816 HE1 PHE 108 2HE PHE 108 11.656 6.689 -12.428 817 HE2 PHE 108 1HE PHE 108 13.496 10.465 -13.028 818 HZ PHE 108 HZ PHE 108 13.413 8.054 -13.453 819 H GLU 109 H GLU 109 6.596 9.339 -8.776 820 HA GLU 109 HA GLU 109 5.604 12.071 -8.565 821 HB2 GLU 109 1HB GLU 109 4.223 9.490 -7.713 822 HB3 GLU 109 2HB GLU 109 3.517 11.094 -7.695 823 HG2 GLU 109 1HG GLU 109 3.639 11.257 -10.131 824 HG3 GLU 109 2HG GLU 109 4.583 9.784 -10.237 825 H CYS 110 H CYS 110 5.557 13.113 -6.544 826 HA CYS 110 HA CYS 110 6.827 11.590 -4.386 827 HB2 CYS 110 1HB CYS 110 8.161 13.511 -5.428 828 HB3 CYS 110 2HB CYS 110 6.984 14.595 -4.714 829 HG CYS 110 HG CYS 110 8.138 12.175 -2.859 830 H HIS 111 H HIS 111 5.183 11.004 -2.993 831 HA HIS 111 HA HIS 111 2.911 12.777 -2.736 832 HB2 HIS 111 1HB HIS 111 3.480 9.990 -1.694 833 HB3 HIS 111 2HB HIS 111 2.019 10.884 -1.324 834 HD1 HIS 111 1HD HIS 111 0.248 11.158 -3.214 835 HD2 HIS 111 2HD HIS 111 3.669 9.018 -4.360 836 HE1 HIS 111 1HE HIS 111 -0.311 10.060 -5.449 837 H VAL 112 H VAL 112 2.749 14.281 -1.152 838 HA VAL 112 HA VAL 112 4.683 14.105 1.031 839 HB VAL 112 HB VAL 112 2.981 16.365 -0.035 840 HG11 VAL 112 1HG1 VAL 112 4.319 17.800 1.521 841 HG12 VAL 112 2HG1 VAL 112 3.209 16.678 2.344 842 HG13 VAL 112 3HG1 VAL 112 4.950 16.316 2.274 843 HG21 VAL 112 1HG2 VAL 112 4.793 15.858 -1.534 844 HG22 VAL 112 2HG2 VAL 112 5.213 17.336 -0.637 845 HG23 VAL 112 3HG2 VAL 112 5.955 15.782 -0.188 846 H PHE 113 H PHE 113 4.058 14.008 3.197 847 HA PHE 113 HA PHE 113 1.213 14.103 3.766 848 HB2 PHE 113 1HB PHE 113 3.122 11.772 4.404 849 HB3 PHE 113 2HB PHE 113 1.466 11.871 4.969 850 HD1 PHE 113 1HD PHE 113 -0.393 11.894 3.218 851 HD2 PHE 113 2HD PHE 113 3.614 10.830 2.314 852 HE1 PHE 113 1HE PHE 113 -1.173 10.725 1.138 853 HE2 PHE 113 2HE PHE 113 2.834 9.661 0.234 854 HZ PHE 113 HZ PHE 113 0.450 9.622 -0.329 855 H TRP 114 H TRP 114 0.821 13.992 6.205 856 HA TRP 114 HA TRP 114 3.162 15.061 7.628 857 HB2 TRP 114 1HB TRP 114 1.672 16.886 7.096 858 HB3 TRP 114 2HB TRP 114 0.297 16.014 7.746 859 HD1 TRP 114 HD TRP 114 0.731 15.364 10.585 860 HE1 TRP 114 1HE TRP 114 1.535 16.960 12.527 861 HE3 TRP 114 3HE TRP 114 2.921 18.812 7.556 862 HZ2 TRP 114 2HZ TRP 114 2.964 19.430 12.577 863 HZ3 TRP 114 3HZ TRP 114 3.998 20.786 8.632 864 HH2 TRP 114 HH TRP 114 4.042 21.125 11.052 865 H CYS 115 H CYS 115 3.726 13.707 9.276 866 HA CYS 115 HA CYS 115 1.586 12.031 10.371 867 HB2 CYS 115 1HB CYS 115 4.503 11.296 10.547 868 HB3 CYS 115 2HB CYS 115 3.093 10.263 10.678 869 HG CYS 115 HG CYS 115 4.145 11.947 8.024 870 H GLU 116 H GLU 116 1.665 11.691 12.730 871 HA GLU 116 HA GLU 116 3.351 13.642 14.083 872 HB2 GLU 116 1HB GLU 116 0.366 13.200 14.379 873 HB3 GLU 116 2HB GLU 116 1.300 13.854 15.709 874 HG2 GLU 116 1HG GLU 116 2.190 15.364 13.523 875 HG3 GLU 116 2HG GLU 116 0.487 15.142 13.175 876 HA PRO 117 HA PRO 117 3.656 14.137 15.996 877 HB2 PRO 117 1HB PRO 117 5.914 13.987 17.529 878 HB3 PRO 117 2HB PRO 117 4.301 14.095 18.206 879 HG2 PRO 117 1HG PRO 117 6.085 11.744 18.033 880 HG3 PRO 117 2HG PRO 117 4.684 11.986 19.057 881 HD2 PRO 117 1HD PRO 117 4.814 10.394 16.675 882 HD3 PRO 117 2HD PRO 117 3.387 10.730 17.634 883 H ASN 118 H ASN 118 6.287 11.828 15.530 884 HA ASN 118 HA ASN 118 7.254 13.673 13.493 885 HB2 ASN 118 1HB ASN 118 9.411 12.141 13.815 886 HB3 ASN 118 2HB ASN 118 9.076 13.422 14.963 887 HD21 ASN 118 1HD2 ASN 118 10.475 12.049 16.300 888 HD22 ASN 118 2HD2 ASN 118 9.767 10.784 17.248 889 H ALA 119 H ALA 119 7.955 12.690 11.426 890 HA ALA 119 HA ALA 119 6.486 10.260 10.840 891 HB1 ALA 119 1HB ALA 119 7.170 12.665 9.468 892 HB2 ALA 119 2HB ALA 119 7.960 11.325 8.604 893 HB3 ALA 119 3HB ALA 119 6.200 11.298 8.870 894 H ALA 120 H ALA 120 8.583 9.788 12.649 895 HA ALA 120 HA ALA 120 10.913 8.983 11.181 896 HB1 ALA 120 1HB ALA 120 10.398 9.715 13.775 897 HB2 ALA 120 2HB ALA 120 10.470 7.943 13.920 898 HB3 ALA 120 3HB ALA 120 11.853 8.837 13.244 899 H ASN 121 H ASN 121 8.302 7.274 13.053 900 HA ASN 121 HA ASN 121 9.120 4.751 12.310 901 HB2 ASN 121 1HB ASN 121 6.375 5.855 13.089 902 HB3 ASN 121 2HB ASN 121 6.665 4.141 12.866 903 HD21 ASN 121 1HD2 ASN 121 6.612 3.292 14.815 904 HD22 ASN 121 2HD2 ASN 121 7.544 3.787 16.189 905 H VAL 122 H VAL 122 6.443 6.878 11.036 906 HA VAL 122 HA VAL 122 5.539 5.242 9.032 907 HB VAL 122 HB VAL 122 5.738 8.247 9.247 908 HG11 VAL 122 1HG1 VAL 122 5.193 8.370 7.081 909 HG12 VAL 122 2HG1 VAL 122 4.944 6.611 6.967 910 HG13 VAL 122 3HG1 VAL 122 3.622 7.662 7.528 911 HG21 VAL 122 1HG2 VAL 122 3.098 7.586 9.457 912 HG22 VAL 122 2HG2 VAL 122 3.869 6.170 10.211 913 HG23 VAL 122 3HG2 VAL 122 4.199 7.803 10.838 914 H SER 123 H SER 123 8.530 7.126 9.253 915 HA SER 123 HA SER 123 9.024 6.767 6.443 916 HB2 SER 123 1HB SER 123 9.676 8.895 7.466 917 HB3 SER 123 2HB SER 123 10.644 8.071 8.672 918 HG SER 123 HG SER 123 11.161 7.787 5.845 919 H GLU 124 H GLU 124 9.815 5.347 9.586 920 HA GLU 124 HA GLU 124 12.091 3.953 8.628 921 HB2 GLU 124 1HB GLU 124 12.389 3.336 10.820 922 HB3 GLU 124 2HB GLU 124 11.270 4.654 11.105 923 HG2 GLU 124 1HG GLU 124 9.360 3.049 11.102 924 HG3 GLU 124 2HG GLU 124 10.461 1.725 10.779 925 H ALA 125 H ALA 125 8.643 3.127 9.370 926 HA ALA 125 HA ALA 125 8.795 0.416 8.846 927 HB1 ALA 125 1HB ALA 125 6.717 0.773 9.639 928 HB2 ALA 125 2HB ALA 125 6.763 2.491 9.175 929 HB3 ALA 125 3HB ALA 125 6.265 1.262 7.988 930 H VAL 126 H VAL 126 8.572 3.241 6.662 931 HA VAL 126 HA VAL 126 8.011 1.676 4.355 932 HB VAL 126 HB VAL 126 9.075 4.489 4.677 933 HG11 VAL 126 1HG1 VAL 126 9.407 3.330 2.416 934 HG12 VAL 126 2HG1 VAL 126 7.634 3.367 2.266 935 HG13 VAL 126 3HG1 VAL 126 8.547 4.888 2.411 936 HG21 VAL 126 1HG2 VAL 126 6.764 3.776 5.687 937 HG22 VAL 126 2HG2 VAL 126 6.894 5.274 4.734 938 HG23 VAL 126 3HG2 VAL 126 6.229 3.800 3.989 939 H GLN 127 H GLN 127 10.972 3.328 5.655 940 HA GLN 127 HA GLN 127 12.656 2.521 3.656 941 HB2 GLN 127 1HB GLN 127 13.177 3.076 6.604 942 HB3 GLN 127 2HB GLN 127 14.469 2.804 5.451 943 HG2 GLN 127 1HG GLN 127 12.558 4.751 4.392 944 HG3 GLN 127 2HG GLN 127 13.120 5.251 5.975 945 HE21 GLN 127 1HE2 GLN 127 14.001 6.992 4.575 946 HE22 GLN 127 2HE2 GLN 127 15.593 6.803 3.919 947 H ALA 128 H ALA 128 12.056 0.943 6.878 948 HA ALA 128 HA ALA 128 13.720 -1.172 6.705 949 HB1 ALA 128 1HB ALA 128 12.622 -1.485 8.641 950 HB2 ALA 128 2HB ALA 128 11.270 -0.467 8.092 951 HB3 ALA 128 3HB ALA 128 11.287 -2.205 7.711 952 H ALA 129 H ALA 129 10.841 -0.516 4.755 953 HA ALA 129 HA ALA 129 10.761 -3.224 3.743 954 HB1 ALA 129 1HB ALA 129 9.225 -0.805 2.745 955 HB2 ALA 129 2HB ALA 129 8.778 -2.524 2.632 956 HB3 ALA 129 3HB ALA 129 8.745 -1.698 4.208 957 H CYS 130 H CYS 130 11.334 0.120 2.430 958 HA CYS 130 HA CYS 130 12.027 -0.591 -0.100 959 HB2 CYS 130 1HB CYS 130 12.668 1.712 1.678 960 HB3 CYS 130 2HB CYS 130 13.672 1.520 0.255 961 HG CYS 130 HG CYS 130 10.362 1.384 0.316 962 H SER 131 H SER 131 14.032 -0.491 2.908 963 HA SER 131 HA SER 131 16.445 -1.051 1.693 964 HB2 SER 131 1HB SER 131 16.177 -0.245 4.033 965 HB3 SER 131 2HB SER 131 15.481 -1.785 4.493 966 HG SER 131 HG SER 131 17.530 -2.260 4.964 967 H GLY 132 H GLY 132 14.138 -3.285 3.418 968 HA2 GLY 132 1HA GLY 132 13.704 -5.319 1.935 969 HA3 GLY 132 2HA GLY 132 15.437 -5.553 2.052 970 HA PRO 133 HA PRO 133 13.665 -7.705 5.610 971 HB2 PRO 133 1HB PRO 133 14.956 -10.087 5.255 972 HB3 PRO 133 2HB PRO 133 13.351 -9.765 4.631 973 HG2 PRO 133 1HG PRO 133 15.918 -9.883 3.169 974 HG3 PRO 133 2HG PRO 133 14.288 -9.988 2.535 975 HD2 PRO 133 1HD PRO 133 16.033 -7.715 2.415 976 HD3 PRO 133 2HD PRO 133 14.364 -7.784 1.885 977 H SER 134 H SER 134 14.861 -9.053 7.431 978 HA SER 134 HA SER 134 17.578 -8.570 7.662 979 HB2 SER 134 1HB SER 134 16.273 -6.199 8.005 980 HB3 SER 134 2HB SER 134 16.214 -6.798 9.651 981 HG SER 134 HG SER 134 18.223 -6.098 9.825 982 H SER 135 H SER 135 18.333 -9.980 9.239 983 HA SER 135 HA SER 135 16.347 -11.439 10.661 984 HB2 SER 135 1HB SER 135 19.383 -11.668 10.840 985 HB3 SER 135 2HB SER 135 18.217 -12.869 11.361 986 HG SER 135 HG SER 135 18.719 -13.612 9.364 987 H GLY 136 H GLY 136 15.627 -10.969 12.707 988 HA2 GLY 136 1HA GLY 136 17.438 -9.462 14.487 989 HA3 GLY 136 2HA GLY 136 15.778 -8.958 14.243 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -12.683 -22.565 -22.268 2 HA2 GLY 1 1HA GLY 1 -9.978 -21.851 -22.690 3 HA3 GLY 1 2HA GLY 1 -10.908 -20.423 -22.281 4 H SER 2 H SER 2 -8.884 -22.479 -20.871 5 HA SER 2 HA SER 2 -10.400 -22.437 -18.386 6 HB2 SER 2 1HB SER 2 -9.308 -24.612 -17.765 7 HB3 SER 2 2HB SER 2 -10.412 -24.752 -19.118 8 HG SER 2 HG SER 2 -7.604 -24.289 -19.560 9 H SER 3 H SER 3 -9.275 -21.519 -16.676 10 HA SER 3 HA SER 3 -6.488 -21.685 -16.489 11 HB2 SER 3 1HB SER 3 -6.731 -19.943 -18.325 12 HB3 SER 3 2HB SER 3 -7.560 -18.913 -17.174 13 HG SER 3 HG SER 3 -5.700 -18.456 -16.163 14 H GLY 4 H GLY 4 -6.120 -21.668 -14.298 15 HA2 GLY 4 1HA GLY 4 -7.467 -19.758 -12.596 16 HA3 GLY 4 2HA GLY 4 -7.980 -21.417 -12.361 17 H SER 5 H SER 5 -5.683 -19.051 -11.491 18 HA SER 5 HA SER 5 -4.219 -21.055 -10.042 19 HB2 SER 5 1HB SER 5 -2.042 -20.422 -10.812 20 HB3 SER 5 2HB SER 5 -3.004 -20.680 -12.253 21 HG SER 5 HG SER 5 -1.811 -18.721 -12.452 22 H SER 6 H SER 6 -3.311 -20.215 -8.081 23 HA SER 6 HA SER 6 -4.441 -17.688 -7.353 24 HB2 SER 6 1HB SER 6 -3.605 -20.108 -6.000 25 HB3 SER 6 2HB SER 6 -2.794 -18.744 -5.257 26 HG SER 6 HG SER 6 -5.108 -19.440 -4.547 27 H GLY 7 H GLY 7 -3.168 -15.898 -6.440 28 HA2 GLY 7 1HA GLY 7 -0.541 -15.694 -7.712 29 HA3 GLY 7 2HA GLY 7 -1.517 -14.390 -7.067 30 HA PRO 8 HA PRO 8 1.657 -15.656 -3.969 31 HB2 PRO 8 1HB PRO 8 3.390 -13.552 -4.161 32 HB3 PRO 8 2HB PRO 8 3.647 -15.082 -4.975 33 HG2 PRO 8 1HG PRO 8 2.763 -12.502 -6.116 34 HG3 PRO 8 2HG PRO 8 3.426 -13.898 -6.942 35 HD2 PRO 8 1HD PRO 8 0.671 -13.104 -6.855 36 HD3 PRO 8 2HD PRO 8 1.320 -14.561 -7.582 37 H THR 9 H THR 9 -0.469 -15.237 -2.887 38 HA THR 9 HA THR 9 -0.614 -12.537 -1.820 39 HB THR 9 HB THR 9 -2.651 -13.721 -2.662 40 HG1 THR 9 1HG THR 9 -3.734 -13.522 -0.429 41 HG21 THR 9 1HG2 THR 9 -2.177 -15.581 -0.275 42 HG22 THR 9 2HG2 THR 9 -3.576 -15.607 -1.374 43 HG23 THR 9 3HG2 THR 9 -1.965 -16.069 -1.973 44 HA PRO 10 HA PRO 10 1.344 -13.495 1.879 45 HB2 PRO 10 1HB PRO 10 0.452 -11.446 3.452 46 HB3 PRO 10 2HB PRO 10 1.764 -11.271 2.303 47 HG2 PRO 10 1HG PRO 10 -1.025 -10.314 2.091 48 HG3 PRO 10 2HG PRO 10 0.383 -9.800 1.184 49 HD2 PRO 10 1HD PRO 10 -1.712 -11.530 0.265 50 HD3 PRO 10 2HD PRO 10 -0.247 -11.108 -0.599 51 H LYS 11 H LYS 11 1.164 -14.832 3.605 52 HA LYS 11 HA LYS 11 -1.503 -15.786 4.042 53 HB2 LYS 11 1HB LYS 11 1.146 -16.785 4.319 54 HB3 LYS 11 2HB LYS 11 0.408 -16.848 5.907 55 HG2 LYS 11 1HG LYS 11 -0.497 -18.814 5.153 56 HG3 LYS 11 2HG LYS 11 -1.680 -17.771 4.389 57 HD2 LYS 11 1HD LYS 11 0.783 -18.069 2.777 58 HD3 LYS 11 2HD LYS 11 -0.014 -19.600 3.077 59 HE2 LYS 11 1HE LYS 11 -1.703 -17.245 2.212 60 HE3 LYS 11 2HE LYS 11 -0.725 -18.057 1.006 61 HZ1 LYS 11 1HZ LYS 11 -2.755 -19.155 1.038 62 HZ2 LYS 11 2HZ LYS 11 -1.763 -20.155 1.864 63 HZ3 LYS 11 3HZ LYS 11 -2.835 -19.221 2.668 64 H THR 12 H THR 12 0.978 -14.947 6.537 65 HA THR 12 HA THR 12 -1.074 -13.282 7.833 66 HB THR 12 HB THR 12 -0.288 -14.282 10.000 67 HG1 THR 12 1HG THR 12 1.090 -16.090 8.150 68 HG21 THR 12 1HG2 THR 12 -1.126 -16.287 7.844 69 HG22 THR 12 2HG2 THR 12 -1.014 -16.697 9.573 70 HG23 THR 12 3HG2 THR 12 -2.188 -15.477 9.021 71 H GLU 13 H GLU 13 -0.205 -11.351 7.052 72 HA GLU 13 HA GLU 13 2.488 -10.841 8.053 73 HB2 GLU 13 1HB GLU 13 1.066 -9.893 5.551 74 HB3 GLU 13 2HB GLU 13 2.387 -8.956 6.220 75 HG2 GLU 13 1HG GLU 13 2.539 -11.903 5.425 76 HG3 GLU 13 2HG GLU 13 3.182 -10.567 4.489 77 H LEU 14 H LEU 14 2.898 -8.703 8.980 78 HA LEU 14 HA LEU 14 0.517 -7.672 10.268 79 HB2 LEU 14 1HB LEU 14 3.068 -8.172 11.123 80 HB3 LEU 14 2HB LEU 14 3.122 -6.442 10.848 81 HG LEU 14 HG LEU 14 0.709 -7.037 12.271 82 HD11 LEU 14 1HD1 LEU 14 2.277 -7.763 14.383 83 HD12 LEU 14 2HD1 LEU 14 1.284 -8.878 13.414 84 HD13 LEU 14 3HD1 LEU 14 3.017 -8.690 13.055 85 HD21 LEU 14 1HD2 LEU 14 3.120 -5.350 12.541 86 HD22 LEU 14 2HD2 LEU 14 1.398 -4.946 12.736 87 HD23 LEU 14 3HD2 LEU 14 2.281 -5.742 14.061 88 H VAL 15 H VAL 15 -0.110 -5.436 10.206 89 HA VAL 15 HA VAL 15 1.024 -3.989 7.915 90 HB VAL 15 HB VAL 15 -1.872 -4.312 8.717 91 HG11 VAL 15 1HG1 VAL 15 -1.279 -1.968 8.035 92 HG12 VAL 15 2HG1 VAL 15 -0.769 -2.614 6.457 93 HG13 VAL 15 3HG1 VAL 15 -2.465 -2.767 6.975 94 HG21 VAL 15 1HG2 VAL 15 -0.349 -5.956 7.147 95 HG22 VAL 15 2HG2 VAL 15 -2.112 -5.759 7.005 96 HG23 VAL 15 3HG2 VAL 15 -1.025 -4.837 5.939 97 H GLN 16 H GLN 16 1.088 -1.678 8.132 98 HA GLN 16 HA GLN 16 0.616 -0.812 10.877 99 HB2 GLN 16 1HB GLN 16 3.039 -0.566 9.150 100 HB3 GLN 16 2HB GLN 16 2.610 0.875 10.050 101 HG2 GLN 16 1HG GLN 16 2.630 -0.378 12.170 102 HG3 GLN 16 2HG GLN 16 2.882 -1.889 11.320 103 HE21 GLN 16 1HE2 GLN 16 4.803 -1.863 9.774 104 HE22 GLN 16 2HE2 GLN 16 6.284 -1.194 10.373 105 H LYS 17 H LYS 17 -1.110 0.563 10.854 106 HA LYS 17 HA LYS 17 -1.399 2.290 8.502 107 HB2 LYS 17 1HB LYS 17 -3.333 0.952 10.345 108 HB3 LYS 17 2HB LYS 17 -3.783 2.511 9.685 109 HG2 LYS 17 1HG LYS 17 -3.738 1.737 7.450 110 HG3 LYS 17 2HG LYS 17 -2.661 0.405 7.823 111 HD2 LYS 17 1HD LYS 17 -5.018 0.020 9.411 112 HD3 LYS 17 2HD LYS 17 -5.565 0.439 7.800 113 HE2 LYS 17 1HE LYS 17 -3.852 -1.324 6.940 114 HE3 LYS 17 2HE LYS 17 -3.736 -1.860 8.604 115 HZ1 LYS 17 1HZ LYS 17 -5.827 -2.272 6.743 116 HZ2 LYS 17 2HZ LYS 17 -5.516 -3.057 8.141 117 HZ3 LYS 17 3HZ LYS 17 -6.394 -1.680 8.156 118 H PHE 18 H PHE 18 -1.079 4.450 8.701 119 HA PHE 18 HA PHE 18 -1.104 5.530 11.426 120 HB2 PHE 18 1HB PHE 18 0.865 5.925 9.098 121 HB3 PHE 18 2HB PHE 18 0.851 6.982 10.495 122 HD1 PHE 18 1HD PHE 18 1.110 5.793 12.816 123 HD2 PHE 18 2HD PHE 18 2.230 4.051 9.112 124 HE1 PHE 18 1HE PHE 18 2.653 4.222 14.021 125 HE2 PHE 18 2HE PHE 18 3.772 2.480 10.317 126 HZ PHE 18 HZ PHE 18 3.965 2.584 12.757 127 H ARG 19 H ARG 19 -2.679 7.051 11.561 128 HA ARG 19 HA ARG 19 -3.904 8.070 9.293 129 HB2 ARG 19 1HB ARG 19 -4.654 7.901 11.861 130 HB3 ARG 19 2HB ARG 19 -4.017 9.531 11.945 131 HG2 ARG 19 1HG ARG 19 -5.555 9.544 9.587 132 HG3 ARG 19 2HG ARG 19 -6.498 8.557 10.686 133 HD2 ARG 19 1HD ARG 19 -6.267 10.395 12.435 134 HD3 ARG 19 2HD ARG 19 -5.476 11.387 11.226 135 HE ARG 19 HE ARG 19 -7.972 10.398 10.179 136 HH11 ARG 19 2HH2 ARG 19 -6.688 12.741 12.469 137 HH12 ARG 19 1HH2 ARG 19 -8.049 13.804 12.341 138 HH21 ARG 19 2HH1 ARG 19 -9.768 11.800 10.009 139 HH22 ARG 19 1HH1 ARG 19 -9.813 13.265 10.932 140 H VAL 20 H VAL 20 -2.642 9.281 7.859 141 HA VAL 20 HA VAL 20 -1.323 11.635 9.023 142 HB VAL 20 HB VAL 20 0.392 11.425 7.317 143 HG11 VAL 20 1HG1 VAL 20 -0.051 9.520 9.464 144 HG12 VAL 20 2HG1 VAL 20 0.932 8.805 8.163 145 HG13 VAL 20 3HG1 VAL 20 1.452 10.319 8.944 146 HG21 VAL 20 1HG2 VAL 20 0.465 9.102 6.116 147 HG22 VAL 20 2HG2 VAL 20 -1.292 9.104 6.404 148 HG23 VAL 20 3HG2 VAL 20 -0.544 10.409 5.452 149 H GLN 21 H GLN 21 -1.240 13.527 7.558 150 HA GLN 21 HA GLN 21 -3.701 13.638 6.076 151 HB2 GLN 21 1HB GLN 21 -1.778 15.630 7.237 152 HB3 GLN 21 2HB GLN 21 -2.721 16.150 5.855 153 HG2 GLN 21 1HG GLN 21 -4.822 15.455 7.040 154 HG3 GLN 21 2HG GLN 21 -3.870 14.964 8.427 155 HE21 GLN 21 1HE2 GLN 21 -5.524 17.458 6.918 156 HE22 GLN 21 2HE2 GLN 21 -5.002 18.801 7.879 157 H TYR 22 H TYR 22 -3.877 14.021 3.834 158 HA TYR 22 HA TYR 22 -1.451 13.423 2.347 159 HB2 TYR 22 1HB TYR 22 -3.945 12.450 2.175 160 HB3 TYR 22 2HB TYR 22 -4.295 13.945 1.330 161 HD1 TYR 22 2HD TYR 22 -1.087 13.550 0.354 162 HD2 TYR 22 1HD TYR 22 -4.840 11.547 -0.105 163 HE1 TYR 22 2HE TYR 22 -0.275 12.511 -1.819 164 HE2 TYR 22 1HE TYR 22 -4.014 10.514 -2.277 165 HH TYR 22 HH TYR 22 -1.867 11.535 -4.054 166 H LEU 23 H LEU 23 -0.180 15.221 2.033 167 HA LEU 23 HA LEU 23 -1.266 17.808 1.761 168 HB2 LEU 23 1HB LEU 23 1.410 16.528 1.517 169 HB3 LEU 23 2HB LEU 23 1.193 18.102 0.777 170 HG LEU 23 HG LEU 23 0.115 18.533 3.260 171 HD11 LEU 23 1HD1 LEU 23 0.911 17.206 4.861 172 HD12 LEU 23 2HD1 LEU 23 1.378 16.083 3.561 173 HD13 LEU 23 3HD1 LEU 23 2.561 17.252 4.195 174 HD21 LEU 23 1HD2 LEU 23 3.064 18.900 2.920 175 HD22 LEU 23 2HD2 LEU 23 1.958 19.717 1.791 176 HD23 LEU 23 3HD2 LEU 23 1.831 20.024 3.540 177 H GLY 24 H GLY 24 0.001 15.371 -0.596 178 HA2 GLY 24 1HA GLY 24 -1.703 15.558 -2.596 179 HA3 GLY 24 2HA GLY 24 -0.853 17.075 -2.813 180 H MET 25 H MET 25 -0.552 15.563 -4.940 181 HA MET 25 HA MET 25 1.943 14.108 -4.523 182 HB2 MET 25 1HB MET 25 -0.311 13.055 -5.540 183 HB3 MET 25 2HB MET 25 0.209 13.856 -7.009 184 HG2 MET 25 1HG MET 25 2.489 12.685 -6.695 185 HG3 MET 25 2HG MET 25 1.734 11.735 -5.431 186 HE1 MET 25 1HE MET 25 0.926 11.863 -9.865 187 HE2 MET 25 2HE MET 25 -0.412 12.644 -8.989 188 HE3 MET 25 3HE MET 25 1.257 13.220 -8.762 189 H LEU 26 H LEU 26 3.745 15.165 -5.221 190 HA LEU 26 HA LEU 26 3.395 17.005 -7.485 191 HB2 LEU 26 1HB LEU 26 3.808 18.062 -5.243 192 HB3 LEU 26 2HB LEU 26 5.375 17.279 -5.224 193 HG LEU 26 HG LEU 26 4.810 18.869 -7.654 194 HD11 LEU 26 1HD1 LEU 26 3.714 20.244 -5.915 195 HD12 LEU 26 2HD1 LEU 26 5.245 20.279 -5.007 196 HD13 LEU 26 3HD1 LEU 26 5.148 21.028 -6.619 197 HD21 LEU 26 1HD2 LEU 26 6.988 17.698 -6.951 198 HD22 LEU 26 2HD2 LEU 26 7.090 19.363 -7.572 199 HD23 LEU 26 3HD2 LEU 26 7.194 19.058 -5.821 200 HA PRO 27 HA PRO 27 6.234 14.297 -9.354 201 HB2 PRO 27 1HB PRO 27 6.448 15.576 -11.760 202 HB3 PRO 27 2HB PRO 27 5.157 14.453 -11.383 203 HG2 PRO 27 1HG PRO 27 5.062 17.404 -11.534 204 HG3 PRO 27 2HG PRO 27 3.736 16.259 -11.583 205 HD2 PRO 27 1HD PRO 27 4.519 17.885 -9.353 206 HD3 PRO 27 2HD PRO 27 3.268 16.658 -9.368 207 H VAL 28 H VAL 28 8.432 14.013 -9.747 208 HA VAL 28 HA VAL 28 9.959 16.499 -9.562 209 HB VAL 28 HB VAL 28 11.398 15.597 -7.877 210 HG11 VAL 28 1HG1 VAL 28 8.833 14.906 -6.570 211 HG12 VAL 28 2HG1 VAL 28 10.055 16.125 -6.135 212 HG13 VAL 28 3HG1 VAL 28 8.864 16.474 -7.411 213 HG21 VAL 28 1HG2 VAL 28 9.658 13.153 -7.563 214 HG22 VAL 28 2HG2 VAL 28 11.020 13.169 -8.708 215 HG23 VAL 28 3HG2 VAL 28 11.312 13.443 -6.973 216 H ASP 29 H ASP 29 11.996 16.419 -10.627 217 HA ASP 29 HA ASP 29 12.042 14.466 -12.688 218 HB2 ASP 29 1HB ASP 29 13.361 17.029 -12.048 219 HB3 ASP 29 2HB ASP 29 14.472 15.881 -12.768 220 H ARG 30 H ARG 30 14.052 15.436 -9.828 221 HA ARG 30 HA ARG 30 15.961 13.416 -10.301 222 HB2 ARG 30 1HB ARG 30 15.559 15.641 -8.443 223 HB3 ARG 30 2HB ARG 30 16.088 14.220 -7.564 224 HG2 ARG 30 1HG ARG 30 17.501 15.080 -10.115 225 HG3 ARG 30 2HG ARG 30 17.905 15.817 -8.577 226 HD2 ARG 30 1HD ARG 30 17.794 12.912 -8.283 227 HD3 ARG 30 2HD ARG 30 18.861 13.336 -9.607 228 HE ARG 30 HE ARG 30 19.297 14.972 -7.217 229 HH11 ARG 30 2HH2 ARG 30 20.122 11.954 -8.827 230 HH12 ARG 30 1HH2 ARG 30 21.621 11.764 -7.981 231 HH21 ARG 30 2HH1 ARG 30 21.275 14.723 -6.101 232 HH22 ARG 30 1HH1 ARG 30 22.282 13.350 -6.420 233 HA PRO 31 HA PRO 31 13.488 10.331 -8.335 234 HB2 PRO 31 1HB PRO 31 15.047 8.180 -8.976 235 HB3 PRO 31 2HB PRO 31 13.815 8.823 -10.044 236 HG2 PRO 31 1HG PRO 31 16.753 9.094 -10.229 237 HG3 PRO 31 2HG PRO 31 15.547 9.349 -11.474 238 HD2 PRO 31 1HD PRO 31 16.946 11.373 -10.000 239 HD3 PRO 31 2HD PRO 31 15.658 11.624 -11.162 240 H VAL 32 H VAL 32 16.472 11.499 -7.501 241 HA VAL 32 HA VAL 32 16.159 10.300 -4.877 242 HB VAL 32 HB VAL 32 18.578 9.708 -4.827 243 HG11 VAL 32 1HG1 VAL 32 17.033 7.912 -5.025 244 HG12 VAL 32 2HG1 VAL 32 16.728 8.264 -6.743 245 HG13 VAL 32 3HG1 VAL 32 18.304 7.609 -6.234 246 HG21 VAL 32 1HG2 VAL 32 19.562 9.232 -7.176 247 HG22 VAL 32 2HG2 VAL 32 18.362 10.414 -7.753 248 HG23 VAL 32 3HG2 VAL 32 19.593 10.903 -6.563 249 H GLY 33 H GLY 33 17.363 11.498 -3.213 250 HA2 GLY 33 1HA GLY 33 18.938 13.382 -2.897 251 HA3 GLY 33 2HA GLY 33 18.026 14.235 -4.126 252 H MET 34 H MET 34 18.464 15.062 -1.332 253 HA MET 34 HA MET 34 15.830 14.678 -0.187 254 HB2 MET 34 1HB MET 34 18.481 15.812 0.840 255 HB3 MET 34 2HB MET 34 17.004 15.969 1.769 256 HG2 MET 34 1HG MET 34 17.071 13.239 1.019 257 HG3 MET 34 2HG MET 34 18.734 13.620 1.421 258 HE1 MET 34 1HE MET 34 15.264 14.952 2.649 259 HE2 MET 34 2HE MET 34 15.100 13.181 2.708 260 HE3 MET 34 3HE MET 34 15.105 14.124 4.217 261 H ASP 35 H ASP 35 18.119 17.272 -1.243 262 HA ASP 35 HA ASP 35 16.879 19.479 -0.507 263 HB2 ASP 35 1HB ASP 35 18.421 18.657 -2.909 264 HB3 ASP 35 2HB ASP 35 17.429 20.077 -3.173 265 H THR 36 H THR 36 16.257 17.921 -3.754 266 HA THR 36 HA THR 36 13.999 19.387 -4.389 267 HB THR 36 HB THR 36 15.105 16.658 -5.163 268 HG1 THR 36 1HG THR 36 15.617 17.976 -7.007 269 HG21 THR 36 1HG2 THR 36 12.694 16.425 -5.575 270 HG22 THR 36 2HG2 THR 36 12.611 18.077 -6.233 271 HG23 THR 36 3HG2 THR 36 13.484 16.807 -7.124 272 H LEU 37 H LEU 37 14.232 16.216 -2.667 273 HA LEU 37 HA LEU 37 11.601 15.621 -2.461 274 HB2 LEU 37 1HB LEU 37 13.426 14.217 -1.678 275 HB3 LEU 37 2HB LEU 37 13.756 15.328 -0.364 276 HG LEU 37 HG LEU 37 11.106 14.750 0.067 277 HD11 LEU 37 1HD1 LEU 37 11.892 11.991 -0.173 278 HD12 LEU 37 2HD1 LEU 37 10.458 12.824 -0.820 279 HD13 LEU 37 3HD1 LEU 37 11.968 12.788 -1.763 280 HD21 LEU 37 1HD2 LEU 37 12.410 12.863 1.598 281 HD22 LEU 37 2HD2 LEU 37 13.692 14.045 1.239 282 HD23 LEU 37 3HD2 LEU 37 12.182 14.579 2.014 283 H ASN 38 H ASN 38 13.480 17.872 -0.331 284 HA ASN 38 HA ASN 38 11.310 18.493 1.278 285 HB2 ASN 38 1HB ASN 38 14.009 19.690 0.687 286 HB3 ASN 38 2HB ASN 38 12.846 20.753 1.456 287 HD21 ASN 38 1HD2 ASN 38 15.242 18.568 1.972 288 HD22 ASN 38 2HD2 ASN 38 14.892 18.055 3.589 289 H SER 39 H SER 39 12.914 20.315 -1.449 290 HA SER 39 HA SER 39 11.389 22.479 -1.591 291 HB2 SER 39 1HB SER 39 13.227 22.134 -3.128 292 HB3 SER 39 2HB SER 39 12.446 20.746 -3.858 293 HG SER 39 HG SER 39 10.787 22.167 -4.691 294 H ALA 40 H ALA 40 10.555 19.205 -2.880 295 HA ALA 40 HA ALA 40 8.197 19.898 -4.163 296 HB1 ALA 40 1HB ALA 40 9.397 17.415 -2.976 297 HB2 ALA 40 2HB ALA 40 7.682 17.379 -3.451 298 HB3 ALA 40 3HB ALA 40 8.932 17.763 -4.658 299 H ILE 41 H ILE 41 8.795 18.820 -0.752 300 HA ILE 41 HA ILE 41 6.125 18.886 0.030 301 HB ILE 41 HB ILE 41 8.697 19.207 1.573 302 HG12 ILE 41 1HG1 ILE 41 6.862 16.809 1.330 303 HG13 ILE 41 2HG1 ILE 41 8.266 17.060 0.313 304 HG21 ILE 41 1HG2 ILE 41 6.105 19.843 2.467 305 HG22 ILE 41 2HG2 ILE 41 6.493 18.252 3.164 306 HG23 ILE 41 3HG2 ILE 41 7.580 19.635 3.440 307 HD11 ILE 41 1HD1 ILE 41 8.847 15.622 2.230 308 HD12 ILE 41 2HD1 ILE 41 9.721 17.168 2.342 309 HD13 ILE 41 3HD1 ILE 41 8.291 16.878 3.361 310 H GLU 42 H GLU 42 8.721 21.358 0.659 311 HA GLU 42 HA GLU 42 7.281 23.257 1.798 312 HB2 GLU 42 1HB GLU 42 9.592 23.282 -0.093 313 HB3 GLU 42 2HB GLU 42 8.787 24.823 0.131 314 HG2 GLU 42 1HG GLU 42 9.011 24.534 2.633 315 HG3 GLU 42 2HG GLU 42 9.902 23.051 2.356 316 H ASN 43 H ASN 43 7.084 22.255 -1.610 317 HA ASN 43 HA ASN 43 5.679 24.510 -2.485 318 HB2 ASN 43 1HB ASN 43 6.833 22.309 -3.698 319 HB3 ASN 43 2HB ASN 43 5.138 21.884 -3.824 320 HD21 ASN 43 1HD2 ASN 43 7.490 23.090 -5.546 321 HD22 ASN 43 2HD2 ASN 43 6.700 24.281 -6.524 322 H LEU 44 H LEU 44 4.583 21.051 -2.045 323 HA LEU 44 HA LEU 44 1.884 21.537 -2.186 324 HB2 LEU 44 1HB LEU 44 3.642 19.397 -1.172 325 HB3 LEU 44 2HB LEU 44 2.025 19.412 -0.498 326 HG LEU 44 HG LEU 44 2.697 19.303 -3.452 327 HD11 LEU 44 1HD1 LEU 44 2.172 17.012 -3.432 328 HD12 LEU 44 2HD1 LEU 44 3.233 17.259 -2.024 329 HD13 LEU 44 3HD1 LEU 44 1.475 17.095 -1.796 330 HD21 LEU 44 1HD2 LEU 44 0.225 18.703 -3.624 331 HD22 LEU 44 2HD2 LEU 44 0.064 19.356 -1.977 332 HD23 LEU 44 3HD2 LEU 44 0.626 20.407 -3.299 333 H MET 45 H MET 45 4.178 22.254 0.380 334 HA MET 45 HA MET 45 2.364 22.313 2.487 335 HB2 MET 45 1HB MET 45 5.139 23.118 1.899 336 HB3 MET 45 2HB MET 45 4.371 24.287 2.954 337 HG2 MET 45 1HG MET 45 3.712 21.568 3.814 338 HG3 MET 45 2HG MET 45 5.449 21.760 3.691 339 HE1 MET 45 1HE MET 45 3.666 21.242 6.314 340 HE2 MET 45 2HE MET 45 5.443 21.319 6.395 341 HE3 MET 45 3HE MET 45 4.458 22.296 7.511 342 H THR 46 H THR 46 3.492 24.847 0.167 343 HA THR 46 HA THR 46 1.733 26.804 1.385 344 HB THR 46 HB THR 46 2.777 28.203 -0.534 345 HG1 THR 46 1HG THR 46 3.305 26.295 -1.834 346 HG21 THR 46 1HG2 THR 46 4.745 28.592 0.676 347 HG22 THR 46 2HG2 THR 46 3.812 27.724 1.919 348 HG23 THR 46 3HG2 THR 46 5.032 26.857 0.956 349 H SER 47 H SER 47 1.691 24.448 -1.212 350 HA SER 47 HA SER 47 -0.097 25.655 -2.897 351 HB2 SER 47 1HB SER 47 1.213 23.392 -3.077 352 HB3 SER 47 2HB SER 47 -0.181 22.684 -2.286 353 HG SER 47 HG SER 47 -1.075 22.617 -4.223 354 H SER 48 H SER 48 -0.879 23.105 -0.409 355 HA SER 48 HA SER 48 -3.500 24.367 -0.209 356 HB2 SER 48 1HB SER 48 -2.658 21.468 0.216 357 HB3 SER 48 2HB SER 48 -4.245 22.078 0.642 358 HG SER 48 HG SER 48 -3.576 22.811 -1.941 359 H SER 49 H SER 49 -4.528 24.232 2.018 360 HA SER 49 HA SER 49 -2.628 25.068 3.926 361 HB2 SER 49 1HB SER 49 -5.628 24.642 3.928 362 HB3 SER 49 2HB SER 49 -4.794 24.979 5.432 363 HG SER 49 HG SER 49 -4.322 26.655 3.149 364 H LYS 50 H LYS 50 -3.027 24.095 6.346 365 HA LYS 50 HA LYS 50 -2.035 21.456 6.215 366 HB2 LYS 50 1HB LYS 50 -1.183 22.613 8.005 367 HB3 LYS 50 2HB LYS 50 -2.691 23.436 8.351 368 HG2 LYS 50 1HG LYS 50 -3.659 21.443 9.346 369 HG3 LYS 50 2HG LYS 50 -2.353 20.433 8.755 370 HD2 LYS 50 1HD LYS 50 -0.786 21.994 10.172 371 HD3 LYS 50 2HD LYS 50 -2.259 22.520 10.963 372 HE2 LYS 50 1HE LYS 50 -1.980 19.560 10.708 373 HE3 LYS 50 2HE LYS 50 -0.774 20.319 11.728 374 HZ1 LYS 50 1HZ LYS 50 -2.291 20.655 13.272 375 HZ2 LYS 50 2HZ LYS 50 -3.340 21.365 12.241 376 HZ3 LYS 50 3HZ LYS 50 -3.337 19.741 12.414 377 H GLU 51 H GLU 51 -5.175 22.866 7.369 378 HA GLU 51 HA GLU 51 -6.291 20.392 7.949 379 HB2 GLU 51 1HB GLU 51 -7.550 23.085 7.288 380 HB3 GLU 51 2HB GLU 51 -8.489 21.702 7.811 381 HG2 GLU 51 1HG GLU 51 -6.098 22.415 9.486 382 HG3 GLU 51 2HG GLU 51 -7.455 23.523 9.545 383 H ASP 52 H ASP 52 -6.263 22.422 4.976 384 HA ASP 52 HA ASP 52 -8.152 21.281 3.495 385 HB2 ASP 52 1HB ASP 52 -6.301 23.060 2.921 386 HB3 ASP 52 2HB ASP 52 -5.367 21.693 2.347 387 H TRP 53 H TRP 53 -5.113 19.862 4.635 388 HA TRP 53 HA TRP 53 -5.016 17.736 2.746 389 HB2 TRP 53 1HB TRP 53 -3.709 17.844 5.462 390 HB3 TRP 53 2HB TRP 53 -3.236 16.880 4.078 391 HD1 TRP 53 HD TRP 53 -3.400 19.382 1.918 392 HE1 TRP 53 1HE TRP 53 -1.492 21.203 1.843 393 HE3 TRP 53 3HE TRP 53 -1.663 18.515 6.618 394 HZ2 TRP 53 2HZ TRP 53 0.485 22.058 3.715 395 HZ3 TRP 53 3HZ TRP 53 0.259 19.886 7.417 396 HH2 TRP 53 HH TRP 53 1.327 21.607 6.049 397 HA PRO 54 HA PRO 54 -8.183 15.472 4.762 398 HB2 PRO 54 1HB PRO 54 -8.286 13.371 3.018 399 HB3 PRO 54 2HB PRO 54 -9.153 14.872 2.762 400 HG2 PRO 54 1HG PRO 54 -6.699 13.899 1.430 401 HG3 PRO 54 2HG PRO 54 -7.803 15.157 0.913 402 HD2 PRO 54 1HD PRO 54 -5.222 15.523 2.108 403 HD3 PRO 54 2HD PRO 54 -6.374 16.778 1.698 404 H SER 55 H SER 55 -8.227 14.171 6.498 405 HA SER 55 HA SER 55 -5.783 13.036 7.225 406 HB2 SER 55 1HB SER 55 -8.043 11.855 8.637 407 HB3 SER 55 2HB SER 55 -6.792 12.919 9.248 408 HG SER 55 HG SER 55 -8.081 14.640 9.029 409 H VAL 56 H VAL 56 -4.936 11.362 6.000 410 HA VAL 56 HA VAL 56 -6.772 9.149 5.391 411 HB VAL 56 HB VAL 56 -5.419 8.675 3.478 412 HG11 VAL 56 1HG1 VAL 56 -7.144 10.636 3.514 413 HG12 VAL 56 2HG1 VAL 56 -5.705 11.668 3.329 414 HG13 VAL 56 3HG1 VAL 56 -6.077 10.430 2.104 415 HG21 VAL 56 1HG2 VAL 56 -3.661 11.070 3.981 416 HG22 VAL 56 2HG2 VAL 56 -3.265 9.488 4.695 417 HG23 VAL 56 3HG2 VAL 56 -3.381 9.662 2.927 418 H ASN 57 H ASN 57 -5.434 6.986 5.148 419 HA ASN 57 HA ASN 57 -3.676 6.912 7.472 420 HB2 ASN 57 1HB ASN 57 -5.640 4.885 6.316 421 HB3 ASN 57 2HB ASN 57 -4.354 4.365 7.387 422 HD21 ASN 57 1HD2 ASN 57 -7.400 5.887 7.090 423 HD22 ASN 57 2HD2 ASN 57 -7.706 6.231 8.759 424 H MET 58 H MET 58 -1.734 5.549 7.272 425 HA MET 58 HA MET 58 -1.083 4.999 4.483 426 HB2 MET 58 1HB MET 58 0.293 6.725 5.796 427 HB3 MET 58 2HB MET 58 0.796 5.435 6.870 428 HG2 MET 58 1HG MET 58 1.917 4.249 5.050 429 HG3 MET 58 2HG MET 58 1.233 5.328 3.850 430 HE1 MET 58 1HE MET 58 2.638 8.693 4.617 431 HE2 MET 58 2HE MET 58 2.961 7.759 3.137 432 HE3 MET 58 3HE MET 58 1.361 7.673 3.912 433 H ASN 59 H ASN 59 -1.582 2.847 4.134 434 HA ASN 59 HA ASN 59 -1.171 0.958 6.213 435 HB2 ASN 59 1HB ASN 59 -3.039 0.647 4.643 436 HB3 ASN 59 2HB ASN 59 -1.955 0.691 3.267 437 HD21 ASN 59 1HD2 ASN 59 -3.850 -1.331 4.585 438 HD22 ASN 59 2HD2 ASN 59 -2.953 -2.812 4.630 439 H VAL 60 H VAL 60 0.643 -0.410 6.442 440 HA VAL 60 HA VAL 60 2.518 -0.524 4.199 441 HB VAL 60 HB VAL 60 3.257 0.052 7.076 442 HG11 VAL 60 1HG1 VAL 60 4.982 -0.185 4.587 443 HG12 VAL 60 2HG1 VAL 60 5.547 0.318 6.198 444 HG13 VAL 60 3HG1 VAL 60 4.927 -1.331 5.947 445 HG21 VAL 60 1HG2 VAL 60 3.334 1.846 4.626 446 HG22 VAL 60 2HG2 VAL 60 2.259 2.017 6.035 447 HG23 VAL 60 3HG2 VAL 60 4.014 2.248 6.221 448 H ALA 61 H ALA 61 2.381 -2.645 3.633 449 HA ALA 61 HA ALA 61 2.849 -4.578 5.773 450 HB1 ALA 61 1HB ALA 61 0.991 -5.636 3.814 451 HB2 ALA 61 2HB ALA 61 0.817 -5.518 5.581 452 HB3 ALA 61 3HB ALA 61 0.332 -4.153 4.547 453 H ASP 62 H ASP 62 3.973 -6.471 5.067 454 HA ASP 62 HA ASP 62 5.331 -7.636 3.840 455 HB2 ASP 62 1HB ASP 62 3.278 -6.981 2.048 456 HB3 ASP 62 2HB ASP 62 4.719 -6.495 1.177 457 H ALA 63 H ALA 63 4.994 -4.700 1.703 458 HA ALA 63 HA ALA 63 7.235 -3.350 2.618 459 HB1 ALA 63 1HB ALA 63 9.025 -4.177 1.495 460 HB2 ALA 63 2HB ALA 63 8.051 -5.661 1.370 461 HB3 ALA 63 3HB ALA 63 8.076 -4.497 0.024 462 H THR 64 H THR 64 4.496 -2.916 1.771 463 HA THR 64 HA THR 64 5.030 -1.091 -0.473 464 HB THR 64 HB THR 64 2.658 -2.981 -0.052 465 HG1 THR 64 1HG THR 64 4.782 -2.517 -2.023 466 HG21 THR 64 1HG2 THR 64 2.166 -0.579 -1.041 467 HG22 THR 64 2HG2 THR 64 3.100 -1.154 -2.444 468 HG23 THR 64 3HG2 THR 64 1.613 -2.003 -1.955 469 H VAL 65 H VAL 65 3.671 0.819 -0.536 470 HA VAL 65 HA VAL 65 2.603 1.436 2.132 471 HB VAL 65 HB VAL 65 4.347 2.987 0.254 472 HG11 VAL 65 1HG1 VAL 65 2.491 4.208 2.325 473 HG12 VAL 65 2HG1 VAL 65 3.801 5.067 1.481 474 HG13 VAL 65 3HG1 VAL 65 2.412 4.438 0.562 475 HG21 VAL 65 1HG2 VAL 65 5.816 2.497 1.862 476 HG22 VAL 65 2HG2 VAL 65 4.908 3.587 2.937 477 HG23 VAL 65 3HG2 VAL 65 4.538 1.846 2.916 478 H THR 66 H THR 66 0.418 1.160 1.861 479 HA THR 66 HA THR 66 -0.768 2.426 -0.517 480 HB THR 66 HB THR 66 -1.919 0.255 1.308 481 HG1 THR 66 1HG THR 66 -0.417 0.298 -1.211 482 HG21 THR 66 1HG2 THR 66 -3.736 1.053 0.012 483 HG22 THR 66 2HG2 THR 66 -2.684 1.507 -1.350 484 HG23 THR 66 3HG2 THR 66 -3.060 -0.207 -1.049 485 H VAL 67 H VAL 67 -1.748 4.320 -0.241 486 HA VAL 67 HA VAL 67 -2.315 5.181 2.455 487 HB VAL 67 HB VAL 67 -2.653 6.560 -0.216 488 HG11 VAL 67 1HG1 VAL 67 -2.235 8.413 1.886 489 HG12 VAL 67 2HG1 VAL 67 -3.704 8.172 0.910 490 HG13 VAL 67 3HG1 VAL 67 -3.496 7.286 2.440 491 HG21 VAL 67 1HG2 VAL 67 -0.549 7.811 0.814 492 HG22 VAL 67 2HG2 VAL 67 -0.329 6.253 1.646 493 HG23 VAL 67 3HG2 VAL 67 -0.371 6.314 -0.132 494 H ILE 68 H ILE 68 -4.136 4.362 3.380 495 HA ILE 68 HA ILE 68 -6.476 4.033 1.660 496 HB ILE 68 HB ILE 68 -5.850 2.984 4.422 497 HG12 ILE 68 1HG1 ILE 68 -5.848 1.667 1.694 498 HG13 ILE 68 2HG1 ILE 68 -4.476 1.908 2.757 499 HG21 ILE 68 1HG2 ILE 68 -7.896 1.528 3.919 500 HG22 ILE 68 2HG2 ILE 68 -8.180 3.221 4.393 501 HG23 ILE 68 3HG2 ILE 68 -8.301 2.742 2.682 502 HD11 ILE 68 1HD1 ILE 68 -6.141 0.571 4.465 503 HD12 ILE 68 2HD1 ILE 68 -6.662 -0.117 2.908 504 HD13 ILE 68 3HD1 ILE 68 -4.958 -0.240 3.411 505 H SER 69 H SER 69 -8.598 4.785 2.465 506 HA SER 69 HA SER 69 -8.278 7.408 3.542 507 HB2 SER 69 1HB SER 69 -9.846 7.300 1.777 508 HB3 SER 69 2HB SER 69 -10.569 5.818 2.371 509 HG SER 69 HG SER 69 -11.941 7.659 2.769 510 H GLU 70 H GLU 70 -10.070 8.114 5.256 511 HA GLU 70 HA GLU 70 -9.667 6.355 7.477 512 HB2 GLU 70 1HB GLU 70 -9.342 8.542 8.174 513 HB3 GLU 70 2HB GLU 70 -10.544 9.193 7.076 514 HG2 GLU 70 1HG GLU 70 -12.371 8.296 8.489 515 HG3 GLU 70 2HG GLU 70 -11.208 7.534 9.555 516 H LYS 71 H LYS 71 -12.329 7.536 5.387 517 HA LYS 71 HA LYS 71 -14.471 6.657 6.901 518 HB2 LYS 71 1HB LYS 71 -13.969 7.345 4.055 519 HB3 LYS 71 2HB LYS 71 -15.384 6.361 4.368 520 HG2 LYS 71 1HG LYS 71 -15.211 8.483 6.360 521 HG3 LYS 71 2HG LYS 71 -15.105 9.175 4.754 522 HD2 LYS 71 1HD LYS 71 -17.168 7.103 4.825 523 HD3 LYS 71 2HD LYS 71 -17.451 8.282 6.091 524 HE2 LYS 71 1HE LYS 71 -18.009 9.929 4.602 525 HE3 LYS 71 2HE LYS 71 -16.678 9.542 3.530 526 HZ1 LYS 71 1HZ LYS 71 -18.755 7.573 3.604 527 HZ2 LYS 71 2HZ LYS 71 -19.220 9.017 3.000 528 HZ3 LYS 71 3HZ LYS 71 -17.971 8.213 2.323 529 H ASN 72 H ASN 72 -13.242 4.940 3.947 530 HA ASN 72 HA ASN 72 -14.018 2.486 5.300 531 HB2 ASN 72 1HB ASN 72 -14.693 3.401 2.775 532 HB3 ASN 72 2HB ASN 72 -13.293 2.418 2.395 533 HD21 ASN 72 1HD2 ASN 72 -14.498 0.895 1.314 534 HD22 ASN 72 2HD2 ASN 72 -15.527 -0.254 2.104 535 H GLU 73 H GLU 73 -12.534 0.566 3.998 536 HA GLU 73 HA GLU 73 -9.801 1.444 4.507 537 HB2 GLU 73 1HB GLU 73 -11.237 -1.181 4.942 538 HB3 GLU 73 2HB GLU 73 -9.501 -1.187 4.706 539 HG2 GLU 73 1HG GLU 73 -10.866 0.603 6.764 540 HG3 GLU 73 2HG GLU 73 -10.318 -1.018 7.143 541 H GLU 74 H GLU 74 -11.857 -0.688 2.414 542 HA GLU 74 HA GLU 74 -9.868 -1.406 0.662 543 HB2 GLU 74 1HB GLU 74 -12.869 -1.241 0.543 544 HB3 GLU 74 2HB GLU 74 -12.014 -1.487 -0.967 545 HG2 GLU 74 1HG GLU 74 -10.772 -3.257 0.874 546 HG3 GLU 74 2HG GLU 74 -12.486 -3.380 1.216 547 H GLU 75 H GLU 75 -11.387 1.674 1.181 548 HA GLU 75 HA GLU 75 -11.102 2.639 -1.449 549 HB2 GLU 75 1HB GLU 75 -12.497 3.487 0.703 550 HB3 GLU 75 2HB GLU 75 -11.095 4.520 0.893 551 HG2 GLU 75 1HG GLU 75 -11.370 5.389 -1.405 552 HG3 GLU 75 2HG GLU 75 -12.694 4.279 -1.698 553 H VAL 76 H VAL 76 -8.823 1.758 -1.739 554 HA VAL 76 HA VAL 76 -6.721 2.990 -0.276 555 HB VAL 76 HB VAL 76 -6.346 0.831 -1.117 556 HG11 VAL 76 1HG1 VAL 76 -6.342 0.639 -3.790 557 HG12 VAL 76 2HG1 VAL 76 -7.792 0.320 -2.808 558 HG13 VAL 76 3HG1 VAL 76 -7.590 1.896 -3.611 559 HG21 VAL 76 1HG2 VAL 76 -4.439 2.448 -1.326 560 HG22 VAL 76 2HG2 VAL 76 -4.348 1.060 -2.437 561 HG23 VAL 76 3HG2 VAL 76 -4.867 2.653 -3.041 562 H LEU 77 H LEU 77 -6.484 5.180 -0.397 563 HA LEU 77 HA LEU 77 -7.250 6.691 -2.620 564 HB2 LEU 77 1HB LEU 77 -5.389 7.299 -0.321 565 HB3 LEU 77 2HB LEU 77 -5.922 8.486 -1.495 566 HG LEU 77 HG LEU 77 -8.047 6.944 -0.083 567 HD11 LEU 77 1HD1 LEU 77 -6.035 8.603 1.310 568 HD12 LEU 77 2HD1 LEU 77 -7.735 8.973 1.684 569 HD13 LEU 77 3HD1 LEU 77 -7.109 7.324 1.927 570 HD21 LEU 77 1HD2 LEU 77 -9.050 9.291 -0.053 571 HD22 LEU 77 2HD2 LEU 77 -7.689 9.764 -1.098 572 HD23 LEU 77 3HD2 LEU 77 -8.836 8.516 -1.641 573 H VAL 78 H VAL 78 -3.978 5.603 -1.483 574 HA VAL 78 HA VAL 78 -3.138 5.679 -4.278 575 HB VAL 78 HB VAL 78 -1.966 7.209 -1.981 576 HG11 VAL 78 1HG1 VAL 78 0.132 7.483 -3.299 577 HG12 VAL 78 2HG1 VAL 78 -0.115 5.825 -2.701 578 HG13 VAL 78 3HG1 VAL 78 -0.437 6.212 -4.408 579 HG21 VAL 78 1HG2 VAL 78 -1.585 8.592 -4.361 580 HG22 VAL 78 2HG2 VAL 78 -3.155 7.784 -4.590 581 HG23 VAL 78 3HG2 VAL 78 -2.899 8.851 -3.188 582 H GLU 79 H GLU 79 -1.283 4.275 -4.709 583 HA GLU 79 HA GLU 79 -0.730 2.451 -2.515 584 HB2 GLU 79 1HB GLU 79 -2.491 1.451 -3.988 585 HB3 GLU 79 2HB GLU 79 -1.412 1.590 -5.362 586 HG2 GLU 79 1HG GLU 79 0.215 0.274 -3.557 587 HG3 GLU 79 2HG GLU 79 -1.358 -0.350 -3.099 588 H CYS 80 H CYS 80 1.429 2.767 -2.148 589 HA CYS 80 HA CYS 80 3.124 3.034 -4.522 590 HB2 CYS 80 1HB CYS 80 2.956 4.914 -2.687 591 HB3 CYS 80 2HB CYS 80 4.024 3.865 -1.775 592 HG CYS 80 HG CYS 80 5.967 3.765 -3.360 593 H ARG 81 H ARG 81 5.056 1.722 -4.601 594 HA ARG 81 HA ARG 81 5.074 -0.375 -2.581 595 HB2 ARG 81 1HB ARG 81 5.586 -0.590 -5.588 596 HB3 ARG 81 2HB ARG 81 5.976 -1.877 -4.464 597 HG2 ARG 81 1HG ARG 81 3.713 -2.318 -3.961 598 HG3 ARG 81 2HG ARG 81 3.187 -0.709 -4.415 599 HD2 ARG 81 1HD ARG 81 2.695 -1.441 -6.507 600 HD3 ARG 81 2HD ARG 81 4.366 -1.908 -6.754 601 HE ARG 81 HE ARG 81 3.401 -3.984 -5.223 602 HH11 ARG 81 2HH2 ARG 81 2.250 -2.453 -8.175 603 HH12 ARG 81 1HH2 ARG 81 1.495 -3.890 -8.778 604 HH21 ARG 81 2HH1 ARG 81 2.405 -5.881 -6.018 605 HH22 ARG 81 1HH1 ARG 81 1.583 -5.853 -7.543 606 H VAL 82 H VAL 82 7.123 -0.927 -1.724 607 HA VAL 82 HA VAL 82 9.152 0.970 -1.926 608 HB VAL 82 HB VAL 82 10.427 -0.549 -0.569 609 HG11 VAL 82 1HG1 VAL 82 8.971 0.416 0.892 610 HG12 VAL 82 2HG1 VAL 82 7.533 -0.123 -0.008 611 HG13 VAL 82 3HG1 VAL 82 8.400 -1.263 1.049 612 HG21 VAL 82 1HG2 VAL 82 8.554 -2.607 -1.689 613 HG22 VAL 82 2HG2 VAL 82 10.316 -2.676 -1.449 614 HG23 VAL 82 3HG2 VAL 82 9.222 -2.843 -0.056 615 H ARG 83 H ARG 83 8.282 -1.757 -3.945 616 HA ARG 83 HA ARG 83 10.883 -2.091 -5.003 617 HB2 ARG 83 1HB ARG 83 9.792 -3.630 -6.590 618 HB3 ARG 83 2HB ARG 83 9.164 -3.917 -4.980 619 HG2 ARG 83 1HG ARG 83 7.065 -3.530 -5.734 620 HG3 ARG 83 2HG ARG 83 7.513 -1.882 -6.124 621 HD2 ARG 83 1HD ARG 83 7.884 -2.358 -8.380 622 HD3 ARG 83 2HD ARG 83 8.384 -4.008 -8.065 623 HE ARG 83 HE ARG 83 5.615 -3.724 -7.357 624 HH11 ARG 83 2HH2 ARG 83 7.701 -3.843 -10.189 625 HH12 ARG 83 1HH2 ARG 83 6.465 -4.465 -11.231 626 HH21 ARG 83 2HH1 ARG 83 3.984 -4.544 -8.731 627 HH22 ARG 83 1HH1 ARG 83 4.337 -4.866 -10.396 628 H PHE 84 H PHE 84 8.116 0.003 -5.585 629 HA PHE 84 HA PHE 84 9.212 0.794 -8.179 630 HB2 PHE 84 1HB PHE 84 6.566 0.654 -6.803 631 HB3 PHE 84 2HB PHE 84 6.809 2.185 -7.621 632 HD1 PHE 84 1HD PHE 84 8.253 1.467 -10.033 633 HD2 PHE 84 2HD PHE 84 5.103 -0.596 -8.078 634 HE1 PHE 84 1HE PHE 84 7.595 0.408 -12.212 635 HE2 PHE 84 2HE PHE 84 4.444 -1.655 -10.256 636 HZ PHE 84 HZ PHE 84 5.699 -1.141 -12.297 637 H LEU 85 H LEU 85 9.719 1.538 -5.015 638 HA LEU 85 HA LEU 85 9.441 4.397 -5.202 639 HB2 LEU 85 1HB LEU 85 9.750 2.425 -3.148 640 HB3 LEU 85 2HB LEU 85 11.019 3.621 -2.978 641 HG LEU 85 HG LEU 85 8.193 4.555 -3.348 642 HD11 LEU 85 1HD1 LEU 85 8.314 4.542 -0.666 643 HD12 LEU 85 2HD1 LEU 85 7.577 3.231 -1.620 644 HD13 LEU 85 3HD1 LEU 85 9.239 3.060 -1.006 645 HD21 LEU 85 1HD2 LEU 85 9.022 6.544 -2.794 646 HD22 LEU 85 2HD2 LEU 85 9.847 5.888 -1.360 647 HD23 LEU 85 3HD2 LEU 85 10.639 5.817 -2.953 648 H SER 86 H SER 86 11.231 5.910 -5.101 649 HA SER 86 HA SER 86 13.641 4.726 -6.242 650 HB2 SER 86 1HB SER 86 12.279 7.393 -6.757 651 HB3 SER 86 2HB SER 86 13.959 7.135 -7.181 652 HG SER 86 HG SER 86 12.403 5.035 -8.077 653 H PHE 87 H PHE 87 12.196 7.009 -3.905 654 HA PHE 87 HA PHE 87 14.313 6.774 -2.121 655 HB2 PHE 87 1HB PHE 87 15.324 8.212 -4.047 656 HB3 PHE 87 2HB PHE 87 14.148 9.445 -3.636 657 HD1 PHE 87 2HD PHE 87 17.199 7.735 -2.560 658 HD2 PHE 87 1HD PHE 87 14.373 10.753 -1.605 659 HE1 PHE 87 2HE PHE 87 18.772 8.663 -0.839 660 HE2 PHE 87 1HE PHE 87 15.946 11.681 0.116 661 HZ PHE 87 HZ PHE 87 18.127 10.625 0.479 662 H MET 88 H MET 88 14.146 8.642 -0.365 663 HA MET 88 HA MET 88 11.661 9.994 -0.318 664 HB2 MET 88 1HB MET 88 10.659 8.772 1.566 665 HB3 MET 88 2HB MET 88 11.017 7.609 0.305 666 HG2 MET 88 1HG MET 88 13.274 8.037 2.190 667 HG3 MET 88 2HG MET 88 11.834 7.400 2.960 668 HE1 MET 88 1HE MET 88 10.450 5.692 2.085 669 HE2 MET 88 2HE MET 88 10.614 5.272 0.363 670 HE3 MET 88 3HE MET 88 11.130 4.116 1.613 671 H GLY 89 H GLY 89 11.654 9.852 2.744 672 HA2 GLY 89 1HA GLY 89 13.492 10.371 4.344 673 HA3 GLY 89 2HA GLY 89 14.043 11.547 3.168 674 H VAL 90 H VAL 90 13.171 12.040 5.949 675 HA VAL 90 HA VAL 90 10.559 13.203 5.782 676 HB VAL 90 HB VAL 90 12.742 13.217 7.869 677 HG11 VAL 90 1HG1 VAL 90 10.426 13.913 9.186 678 HG12 VAL 90 2HG1 VAL 90 11.721 15.037 8.707 679 HG13 VAL 90 3HG1 VAL 90 10.291 14.831 7.666 680 HG21 VAL 90 1HG2 VAL 90 10.335 11.970 8.744 681 HG22 VAL 90 2HG2 VAL 90 10.721 11.323 7.131 682 HG23 VAL 90 3HG2 VAL 90 11.923 11.224 8.440 683 H GLY 91 H GLY 91 10.044 15.454 5.830 684 HA2 GLY 91 1HA GLY 91 11.936 17.075 4.367 685 HA3 GLY 91 2HA GLY 91 10.292 17.481 4.815 686 H LYS 92 H LYS 92 11.353 19.632 5.342 687 HA LYS 92 HA LYS 92 13.255 20.115 7.166 688 HB2 LYS 92 1HB LYS 92 10.722 21.511 6.416 689 HB3 LYS 92 2HB LYS 92 11.582 22.092 7.827 690 HG2 LYS 92 1HG LYS 92 13.375 22.864 6.596 691 HG3 LYS 92 2HG LYS 92 13.312 21.529 5.463 692 HD2 LYS 92 1HD LYS 92 12.617 23.317 4.112 693 HD3 LYS 92 2HD LYS 92 11.079 22.650 4.621 694 HE2 LYS 92 1HE LYS 92 11.633 24.421 6.692 695 HE3 LYS 92 2HE LYS 92 12.331 25.255 5.318 696 HZ1 LYS 92 1HZ LYS 92 9.739 25.262 5.955 697 HZ2 LYS 92 2HZ LYS 92 10.328 25.629 4.476 698 HZ3 LYS 92 3HZ LYS 92 9.768 24.125 4.782 699 H ASP 93 H ASP 93 9.761 20.071 8.167 700 HA ASP 93 HA ASP 93 10.550 19.615 10.842 701 HB2 ASP 93 1HB ASP 93 8.172 20.375 9.399 702 HB3 ASP 93 2HB ASP 93 7.760 18.993 10.395 703 H VAL 94 H VAL 94 9.634 17.677 12.126 704 HA VAL 94 HA VAL 94 10.137 15.265 10.626 705 HB VAL 94 HB VAL 94 10.050 14.200 12.817 706 HG11 VAL 94 1HG1 VAL 94 11.675 16.558 13.524 707 HG12 VAL 94 2HG1 VAL 94 12.148 14.855 13.317 708 HG13 VAL 94 3HG1 VAL 94 11.982 15.912 11.894 709 HG21 VAL 94 1HG2 VAL 94 9.965 16.187 14.713 710 HG22 VAL 94 2HG2 VAL 94 8.712 16.714 13.564 711 HG23 VAL 94 3HG2 VAL 94 8.619 15.097 14.303 712 H HIS 95 H HIS 95 7.465 17.270 11.254 713 HA HIS 95 HA HIS 95 5.587 15.079 11.429 714 HB2 HIS 95 1HB HIS 95 4.777 17.948 11.122 715 HB3 HIS 95 2HB HIS 95 3.987 16.653 12.001 716 HD1 HIS 95 1HD HIS 95 7.118 18.839 12.265 717 HD2 HIS 95 2HD HIS 95 4.523 16.614 14.696 718 HE1 HIS 95 1HE HIS 95 7.814 19.312 14.674 719 H THR 96 H THR 96 7.455 15.978 9.014 720 HA THR 96 HA THR 96 5.282 15.816 7.034 721 HB THR 96 HB THR 96 6.976 17.224 5.615 722 HG1 THR 96 1HG THR 96 8.226 18.550 7.342 723 HG21 THR 96 1HG2 THR 96 5.989 18.714 8.080 724 HG22 THR 96 2HG2 THR 96 6.090 19.298 6.401 725 HG23 THR 96 3HG2 THR 96 4.835 18.122 6.861 726 H PHE 97 H PHE 97 5.467 14.292 5.464 727 HA PHE 97 HA PHE 97 8.052 12.956 5.235 728 HB2 PHE 97 1HB PHE 97 6.648 11.649 6.830 729 HB3 PHE 97 2HB PHE 97 5.269 11.753 5.753 730 HD1 PHE 97 2HD PHE 97 8.836 10.654 5.461 731 HD2 PHE 97 1HD PHE 97 4.754 9.785 4.693 732 HE1 PHE 97 2HE PHE 97 9.499 8.478 4.402 733 HE2 PHE 97 1HE PHE 97 5.417 7.608 3.634 734 HZ PHE 97 HZ PHE 97 7.782 6.980 3.501 735 H ALA 98 H ALA 98 8.480 12.085 3.166 736 HA ALA 98 HA ALA 98 6.378 12.031 1.207 737 HB1 ALA 98 1HB ALA 98 7.375 14.476 1.485 738 HB2 ALA 98 2HB ALA 98 8.709 13.803 0.518 739 HB3 ALA 98 3HB ALA 98 7.051 13.802 -0.130 740 H PHE 99 H PHE 99 7.044 10.881 -0.726 741 HA PHE 99 HA PHE 99 9.738 9.798 -0.667 742 HB2 PHE 99 1HB PHE 99 8.805 7.486 -0.803 743 HB3 PHE 99 2HB PHE 99 8.222 8.260 0.658 744 HD1 PHE 99 1HD PHE 99 7.224 7.742 -2.901 745 HD2 PHE 99 2HD PHE 99 5.959 8.188 1.125 746 HE1 PHE 99 1HE PHE 99 4.858 7.264 -3.591 747 HE2 PHE 99 2HE PHE 99 3.593 7.710 0.435 748 HZ PHE 99 HZ PHE 99 3.071 7.253 -1.915 749 H ILE 100 H ILE 100 10.536 9.293 -2.721 750 HA ILE 100 HA ILE 100 8.859 10.203 -4.901 751 HB ILE 100 HB ILE 100 11.769 9.401 -4.810 752 HG12 ILE 100 1HG1 ILE 100 10.448 12.128 -4.713 753 HG13 ILE 100 2HG1 ILE 100 11.337 11.351 -3.418 754 HG21 ILE 100 1HG2 ILE 100 11.028 11.155 -6.979 755 HG22 ILE 100 2HG2 ILE 100 11.843 9.573 -7.021 756 HG23 ILE 100 3HG2 ILE 100 10.065 9.659 -7.027 757 HD11 ILE 100 1HD1 ILE 100 12.512 13.105 -5.075 758 HD12 ILE 100 2HD1 ILE 100 13.404 11.713 -4.415 759 HD13 ILE 100 3HD1 ILE 100 12.738 11.643 -6.065 760 H MET 101 H MET 101 7.832 8.894 -6.335 761 HA MET 101 HA MET 101 8.647 6.094 -6.305 762 HB2 MET 101 1HB MET 101 6.268 5.445 -6.387 763 HB3 MET 101 2HB MET 101 6.501 6.504 -5.010 764 HG2 MET 101 1HG MET 101 5.699 8.450 -6.380 765 HG3 MET 101 2HG MET 101 5.450 7.380 -7.745 766 HE1 MET 101 1HE MET 101 3.815 5.401 -7.794 767 HE2 MET 101 2HE MET 101 4.411 4.692 -6.274 768 HE3 MET 101 3HE MET 101 2.668 4.976 -6.501 769 H ASP 102 H ASP 102 7.769 4.881 -8.316 770 HA ASP 102 HA ASP 102 7.977 6.727 -10.560 771 HB2 ASP 102 1HB ASP 102 9.784 5.245 -10.787 772 HB3 ASP 102 2HB ASP 102 8.914 3.905 -10.067 773 H THR 103 H THR 103 6.124 6.894 -11.842 774 HA THR 103 HA THR 103 4.127 4.743 -11.574 775 HB THR 103 HB THR 103 2.528 6.705 -12.160 776 HG1 THR 103 1HG THR 103 3.544 8.743 -12.075 777 HG21 THR 103 1HG2 THR 103 4.103 7.287 -9.622 778 HG22 THR 103 2HG2 THR 103 2.352 7.444 -9.900 779 HG23 THR 103 3HG2 THR 103 3.085 5.831 -9.734 780 H GLY 104 H GLY 104 5.422 7.269 -13.827 781 HA2 GLY 104 1HA GLY 104 4.312 5.840 -16.094 782 HA3 GLY 104 2HA GLY 104 5.200 7.351 -16.106 783 H ASN 105 H ASN 105 6.660 6.750 -17.770 784 HA ASN 105 HA ASN 105 8.096 4.317 -17.539 785 HB2 ASN 105 1HB ASN 105 7.468 5.900 -19.655 786 HB3 ASN 105 2HB ASN 105 9.049 6.572 -19.311 787 HD21 ASN 105 1HD2 ASN 105 10.300 5.808 -20.862 788 HD22 ASN 105 2HD2 ASN 105 10.551 4.141 -21.258 789 H GLN 106 H GLN 106 9.174 7.798 -17.806 790 HA GLN 106 HA GLN 106 11.309 7.117 -15.937 791 HB2 GLN 106 1HB GLN 106 11.316 9.160 -18.202 792 HB3 GLN 106 2HB GLN 106 12.624 8.949 -17.054 793 HG2 GLN 106 1HG GLN 106 13.075 6.700 -17.829 794 HG3 GLN 106 2HG GLN 106 11.578 6.635 -18.738 795 HE21 GLN 106 1HE2 GLN 106 11.300 8.321 -20.442 796 HE22 GLN 106 2HE2 GLN 106 12.667 8.727 -21.425 797 H ARG 107 H ARG 107 8.392 8.271 -15.712 798 HA ARG 107 HA ARG 107 8.985 10.869 -14.656 799 HB2 ARG 107 1HB ARG 107 6.462 9.259 -15.148 800 HB3 ARG 107 2HB ARG 107 6.391 10.635 -14.065 801 HG2 ARG 107 1HG ARG 107 7.512 10.795 -16.901 802 HG3 ARG 107 2HG ARG 107 5.840 11.142 -16.510 803 HD2 ARG 107 1HD ARG 107 6.613 12.920 -14.893 804 HD3 ARG 107 2HD ARG 107 8.271 12.599 -15.362 805 HE ARG 107 HE ARG 107 6.546 13.158 -17.655 806 HH11 ARG 107 2HH2 ARG 107 8.501 14.620 -15.121 807 HH12 ARG 107 1HH2 ARG 107 8.760 16.093 -15.994 808 HH21 ARG 107 2HH1 ARG 107 6.887 15.101 -18.808 809 HH22 ARG 107 1HH1 ARG 107 7.836 16.369 -18.105 810 H PHE 108 H PHE 108 8.347 11.471 -12.393 811 HA PHE 108 HA PHE 108 8.143 9.187 -10.590 812 HB2 PHE 108 1HB PHE 108 10.036 11.584 -10.249 813 HB3 PHE 108 2HB PHE 108 9.978 10.162 -9.227 814 HD1 PHE 108 2HD PHE 108 10.263 7.876 -10.705 815 HD2 PHE 108 1HD PHE 108 11.831 11.698 -11.675 816 HE1 PHE 108 2HE PHE 108 12.034 6.791 -12.114 817 HE2 PHE 108 1HE PHE 108 13.603 10.613 -13.084 818 HZ PHE 108 HZ PHE 108 13.683 8.173 -13.286 819 H GLU 109 H GLU 109 6.959 9.601 -8.696 820 HA GLU 109 HA GLU 109 5.926 12.325 -8.527 821 HB2 GLU 109 1HB GLU 109 4.455 9.700 -8.034 822 HB3 GLU 109 2HB GLU 109 3.796 11.275 -7.638 823 HG2 GLU 109 1HG GLU 109 4.832 10.806 -10.440 824 HG3 GLU 109 2HG GLU 109 3.281 10.121 -9.995 825 H CYS 110 H CYS 110 5.589 13.185 -6.390 826 HA CYS 110 HA CYS 110 6.832 11.553 -4.297 827 HB2 CYS 110 1HB CYS 110 8.308 13.412 -5.008 828 HB3 CYS 110 2HB CYS 110 7.043 14.565 -4.628 829 HG CYS 110 HG CYS 110 7.850 12.275 -2.428 830 H HIS 111 H HIS 111 5.240 10.948 -2.871 831 HA HIS 111 HA HIS 111 2.882 12.627 -2.685 832 HB2 HIS 111 1HB HIS 111 3.500 9.846 -1.654 833 HB3 HIS 111 2HB HIS 111 1.991 10.687 -1.357 834 HD1 HIS 111 1HD HIS 111 0.214 10.578 -3.164 835 HD2 HIS 111 2HD HIS 111 3.964 9.240 -4.484 836 HE1 HIS 111 1HE HIS 111 -0.160 9.572 -5.479 837 H VAL 112 H VAL 112 2.953 14.280 -1.249 838 HA VAL 112 HA VAL 112 4.713 14.063 1.037 839 HB VAL 112 HB VAL 112 2.930 16.289 0.028 840 HG11 VAL 112 1HG1 VAL 112 4.917 16.157 2.305 841 HG12 VAL 112 2HG1 VAL 112 4.465 17.693 1.527 842 HG13 VAL 112 3HG1 VAL 112 3.223 16.705 2.333 843 HG21 VAL 112 1HG2 VAL 112 4.741 15.724 -1.531 844 HG22 VAL 112 2HG2 VAL 112 5.011 17.313 -0.775 845 HG23 VAL 112 3HG2 VAL 112 5.931 15.894 -0.219 846 H PHE 113 H PHE 113 4.054 13.988 3.205 847 HA PHE 113 HA PHE 113 1.201 13.956 3.725 848 HB2 PHE 113 1HB PHE 113 3.202 11.703 4.354 849 HB3 PHE 113 2HB PHE 113 1.562 11.743 4.971 850 HD1 PHE 113 2HD PHE 113 -0.349 11.709 3.270 851 HD2 PHE 113 1HD PHE 113 3.661 10.756 2.260 852 HE1 PHE 113 2HE PHE 113 -1.152 10.506 1.218 853 HE2 PHE 113 1HE PHE 113 2.858 9.553 0.209 854 HZ PHE 113 HZ PHE 113 0.461 9.442 -0.287 855 H TRP 114 H TRP 114 0.808 13.743 6.189 856 HA TRP 114 HA TRP 114 3.051 15.007 7.611 857 HB2 TRP 114 1HB TRP 114 1.312 16.645 7.082 858 HB3 TRP 114 2HB TRP 114 0.104 15.640 7.857 859 HD1 TRP 114 HD TRP 114 0.670 15.206 10.663 860 HE1 TRP 114 1HE TRP 114 1.488 16.912 12.502 861 HE3 TRP 114 3HE TRP 114 2.581 18.610 7.405 862 HZ2 TRP 114 2HZ TRP 114 2.813 19.437 12.390 863 HZ3 TRP 114 3HZ TRP 114 3.619 20.668 8.352 864 HH2 TRP 114 HH TRP 114 3.753 21.109 10.753 865 H CYS 115 H CYS 115 3.766 13.706 9.242 866 HA CYS 115 HA CYS 115 1.826 11.794 10.325 867 HB2 CYS 115 1HB CYS 115 4.807 11.368 10.457 868 HB3 CYS 115 2HB CYS 115 3.516 10.191 10.594 869 HG CYS 115 HG CYS 115 4.791 11.754 8.013 870 H GLU 116 H GLU 116 1.858 11.506 12.660 871 HA GLU 116 HA GLU 116 3.456 13.494 14.060 872 HB2 GLU 116 1HB GLU 116 0.465 13.055 14.220 873 HB3 GLU 116 2HB GLU 116 1.330 13.659 15.619 874 HG2 GLU 116 1HG GLU 116 2.335 15.217 13.501 875 HG3 GLU 116 2HG GLU 116 0.635 15.045 13.113 876 HA PRO 117 HA PRO 117 3.584 14.008 16.032 877 HB2 PRO 117 1HB PRO 117 5.730 13.928 17.721 878 HB3 PRO 117 2HB PRO 117 4.071 13.968 18.282 879 HG2 PRO 117 1HG PRO 117 5.952 11.689 18.220 880 HG3 PRO 117 2HG PRO 117 4.473 11.866 19.143 881 HD2 PRO 117 1HD PRO 117 4.834 10.305 16.764 882 HD3 PRO 117 2HD PRO 117 3.330 10.577 17.621 883 H ASN 118 H ASN 118 5.988 11.593 15.319 884 HA ASN 118 HA ASN 118 7.145 13.569 13.517 885 HB2 ASN 118 1HB ASN 118 9.031 11.459 14.318 886 HB3 ASN 118 2HB ASN 118 9.247 13.197 14.358 887 HD21 ASN 118 1HD2 ASN 118 9.665 10.785 16.238 888 HD22 ASN 118 2HD2 ASN 118 9.067 11.323 17.772 889 H ALA 119 H ALA 119 8.086 12.568 11.514 890 HA ALA 119 HA ALA 119 6.635 10.154 10.803 891 HB1 ALA 119 1HB ALA 119 8.370 11.413 8.783 892 HB2 ALA 119 2HB ALA 119 6.631 11.038 8.721 893 HB3 ALA 119 3HB ALA 119 7.191 12.537 9.500 894 H ALA 120 H ALA 120 8.649 9.748 12.769 895 HA ALA 120 HA ALA 120 10.958 8.753 11.317 896 HB1 ALA 120 1HB ALA 120 10.755 8.212 14.206 897 HB2 ALA 120 2HB ALA 120 12.038 9.033 13.285 898 HB3 ALA 120 3HB ALA 120 10.592 9.936 13.795 899 H ASN 121 H ASN 121 7.953 7.671 12.861 900 HA ASN 121 HA ASN 121 8.806 4.949 12.885 901 HB2 ASN 121 1HB ASN 121 6.116 6.314 13.401 902 HB3 ASN 121 2HB ASN 121 6.322 4.577 13.502 903 HD21 ASN 121 1HD2 ASN 121 5.525 6.293 15.600 904 HD22 ASN 121 2HD2 ASN 121 6.704 6.227 16.868 905 H VAL 122 H VAL 122 6.878 7.215 10.891 906 HA VAL 122 HA VAL 122 5.697 5.208 9.261 907 HB VAL 122 HB VAL 122 5.918 8.185 9.281 908 HG11 VAL 122 1HG1 VAL 122 6.354 7.751 6.958 909 HG12 VAL 122 2HG1 VAL 122 5.053 6.539 6.883 910 HG13 VAL 122 3HG1 VAL 122 4.656 8.260 7.110 911 HG21 VAL 122 1HG2 VAL 122 3.328 7.001 8.679 912 HG22 VAL 122 2HG2 VAL 122 4.042 6.301 10.151 913 HG23 VAL 122 3HG2 VAL 122 3.813 8.062 10.023 914 H SER 123 H SER 123 8.242 7.717 8.568 915 HA SER 123 HA SER 123 8.977 6.769 6.150 916 HB2 SER 123 1HB SER 123 9.877 8.850 6.889 917 HB3 SER 123 2HB SER 123 10.547 8.148 8.348 918 HG SER 123 HG SER 123 11.458 7.723 5.633 919 H GLU 124 H GLU 124 9.913 5.605 9.411 920 HA GLU 124 HA GLU 124 11.985 3.957 8.565 921 HB2 GLU 124 1HB GLU 124 10.268 4.189 11.020 922 HB3 GLU 124 2HB GLU 124 11.193 2.714 10.826 923 HG2 GLU 124 1HG GLU 124 12.595 5.353 10.377 924 HG3 GLU 124 2HG GLU 124 12.247 4.867 12.025 925 H ALA 125 H ALA 125 8.556 3.130 9.476 926 HA ALA 125 HA ALA 125 8.607 0.479 8.847 927 HB1 ALA 125 1HB ALA 125 6.418 2.569 8.560 928 HB2 ALA 125 2HB ALA 125 6.132 0.820 8.393 929 HB3 ALA 125 3HB ALA 125 6.715 1.483 9.938 930 H VAL 126 H VAL 126 8.599 3.303 6.691 931 HA VAL 126 HA VAL 126 7.979 1.706 4.376 932 HB VAL 126 HB VAL 126 8.834 4.583 4.740 933 HG11 VAL 126 1HG1 VAL 126 7.532 3.587 2.232 934 HG12 VAL 126 2HG1 VAL 126 8.633 4.963 2.482 935 HG13 VAL 126 3HG1 VAL 126 9.274 3.303 2.461 936 HG21 VAL 126 1HG2 VAL 126 6.293 4.705 3.840 937 HG22 VAL 126 2HG2 VAL 126 6.218 3.171 4.740 938 HG23 VAL 126 3HG2 VAL 126 6.720 4.664 5.568 939 H GLN 127 H GLN 127 10.841 3.519 5.682 940 HA GLN 127 HA GLN 127 12.566 2.794 3.678 941 HB2 GLN 127 1HB GLN 127 13.089 3.395 6.620 942 HB3 GLN 127 2HB GLN 127 14.365 3.243 5.428 943 HG2 GLN 127 1HG GLN 127 12.314 5.023 4.392 944 HG3 GLN 127 2HG GLN 127 12.765 5.549 6.002 945 HE21 GLN 127 1HE2 GLN 127 15.014 5.885 6.486 946 HE22 GLN 127 2HE2 GLN 127 16.116 6.397 5.252 947 H ALA 128 H ALA 128 12.030 1.225 6.914 948 HA ALA 128 HA ALA 128 13.826 -0.783 6.793 949 HB1 ALA 128 1HB ALA 128 11.460 -1.962 7.785 950 HB2 ALA 128 2HB ALA 128 12.720 -1.123 8.722 951 HB3 ALA 128 3HB ALA 128 11.305 -0.222 8.128 952 H ALA 129 H ALA 129 10.842 -0.402 4.887 953 HA ALA 129 HA ALA 129 10.874 -3.092 3.924 954 HB1 ALA 129 1HB ALA 129 9.010 -2.379 2.587 955 HB2 ALA 129 2HB ALA 129 8.850 -1.574 4.166 956 HB3 ALA 129 3HB ALA 129 9.459 -0.665 2.763 957 H CYS 130 H CYS 130 11.501 0.146 2.380 958 HA CYS 130 HA CYS 130 12.347 -0.668 -0.027 959 HB2 CYS 130 1HB CYS 130 12.164 1.674 0.510 960 HB3 CYS 130 2HB CYS 130 13.458 1.573 1.687 961 HG CYS 130 HG CYS 130 13.817 2.655 -0.962 962 H SER 131 H SER 131 14.260 -0.537 3.048 963 HA SER 131 HA SER 131 16.645 -1.370 1.902 964 HB2 SER 131 1HB SER 131 15.833 -0.500 4.391 965 HB3 SER 131 2HB SER 131 16.138 -2.195 4.716 966 HG SER 131 HG SER 131 18.251 -1.637 3.381 967 H GLY 132 H GLY 132 14.238 -3.229 3.914 968 HA2 GLY 132 1HA GLY 132 13.732 -5.395 2.516 969 HA3 GLY 132 2HA GLY 132 15.396 -5.736 2.946 970 HA PRO 133 HA PRO 133 13.937 -7.191 6.766 971 HB2 PRO 133 1HB PRO 133 16.255 -7.244 8.213 972 HB3 PRO 133 2HB PRO 133 15.812 -8.493 7.067 973 HG2 PRO 133 1HG PRO 133 17.817 -6.340 6.778 974 HG3 PRO 133 2HG PRO 133 17.656 -7.821 5.855 975 HD2 PRO 133 1HD PRO 133 16.893 -5.186 5.018 976 HD3 PRO 133 2HD PRO 133 16.627 -6.681 4.144 977 H SER 134 H SER 134 13.455 -6.731 9.010 978 HA SER 134 HA SER 134 13.597 -3.845 9.336 979 HB2 SER 134 1HB SER 134 11.847 -4.903 11.284 980 HB3 SER 134 2HB SER 134 11.401 -4.049 9.820 981 HG SER 134 HG SER 134 11.627 -6.894 10.233 982 H SER 135 H SER 135 14.487 -6.992 10.708 983 HA SER 135 HA SER 135 16.439 -5.863 12.312 984 HB2 SER 135 1HB SER 135 15.125 -5.175 14.055 985 HB3 SER 135 2HB SER 135 13.778 -6.191 13.579 986 HG SER 135 HG SER 135 16.179 -7.103 14.925 987 H GLY 136 H GLY 136 17.728 -7.516 11.408 988 HA2 GLY 136 1HA GLY 136 16.999 -10.179 11.087 989 HA3 GLY 136 2HA GLY 136 18.635 -9.561 11.212 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -28.930 -17.096 -18.409 2 HA2 GLY 1 1HA GLY 1 -28.380 -14.692 -17.551 3 HA3 GLY 1 2HA GLY 1 -29.136 -15.307 -16.095 4 H SER 2 H SER 2 -26.419 -14.485 -16.146 5 HA SER 2 HA SER 2 -25.241 -16.853 -15.164 6 HB2 SER 2 1HB SER 2 -23.235 -16.797 -16.690 7 HB3 SER 2 2HB SER 2 -24.714 -17.307 -17.482 8 HG SER 2 HG SER 2 -23.308 -15.632 -18.598 9 H SER 3 H SER 3 -23.600 -16.327 -13.664 10 HA SER 3 HA SER 3 -22.511 -13.664 -13.789 11 HB2 SER 3 1HB SER 3 -24.083 -14.704 -11.391 12 HB3 SER 3 2HB SER 3 -23.058 -13.283 -11.342 13 HG SER 3 HG SER 3 -24.457 -12.574 -13.290 14 H GLY 4 H GLY 4 -20.831 -13.434 -11.838 15 HA2 GLY 4 1HA GLY 4 -19.387 -16.004 -11.693 16 HA3 GLY 4 2HA GLY 4 -18.663 -14.409 -11.657 17 H SER 5 H SER 5 -17.874 -16.053 -9.658 18 HA SER 5 HA SER 5 -19.336 -14.963 -7.391 19 HB2 SER 5 1HB SER 5 -18.967 -17.088 -6.157 20 HB3 SER 5 2HB SER 5 -19.964 -17.326 -7.578 21 HG SER 5 HG SER 5 -18.067 -18.867 -7.123 22 H SER 6 H SER 6 -17.932 -14.924 -5.348 23 HA SER 6 HA SER 6 -15.110 -14.850 -6.051 24 HB2 SER 6 1HB SER 6 -14.898 -12.767 -4.630 25 HB3 SER 6 2HB SER 6 -15.783 -12.536 -6.125 26 HG SER 6 HG SER 6 -17.689 -12.320 -5.038 27 H GLY 7 H GLY 7 -13.731 -14.687 -3.912 28 HA2 GLY 7 1HA GLY 7 -15.095 -16.173 -1.750 29 HA3 GLY 7 2HA GLY 7 -13.539 -16.673 -2.383 30 HA PRO 8 HA PRO 8 -12.861 -13.624 0.974 31 HB2 PRO 8 1HB PRO 8 -11.678 -15.258 2.818 32 HB3 PRO 8 2HB PRO 8 -13.383 -14.855 2.849 33 HG2 PRO 8 1HG PRO 8 -12.091 -17.379 2.014 34 HG3 PRO 8 2HG PRO 8 -13.763 -17.095 2.454 35 HD2 PRO 8 1HD PRO 8 -12.718 -17.421 -0.197 36 HD3 PRO 8 2HD PRO 8 -14.368 -17.022 0.237 37 H THR 9 H THR 9 -10.640 -13.265 2.295 38 HA THR 9 HA THR 9 -8.573 -13.759 0.252 39 HB THR 9 HB THR 9 -7.663 -11.507 1.087 40 HG1 THR 9 1HG THR 9 -8.807 -11.335 3.067 41 HG21 THR 9 1HG2 THR 9 -10.544 -11.149 0.182 42 HG22 THR 9 2HG2 THR 9 -9.115 -10.181 -0.252 43 HG23 THR 9 3HG2 THR 9 -9.332 -11.807 -0.944 44 HA PRO 10 HA PRO 10 -7.074 -15.809 3.888 45 HB2 PRO 10 1HB PRO 10 -5.884 -17.899 2.590 46 HB3 PRO 10 2HB PRO 10 -7.535 -17.949 3.174 47 HG2 PRO 10 1HG PRO 10 -6.558 -17.640 0.401 48 HG3 PRO 10 2HG PRO 10 -8.151 -18.113 0.957 49 HD2 PRO 10 1HD PRO 10 -7.383 -15.546 -0.068 50 HD3 PRO 10 2HD PRO 10 -8.945 -15.985 0.596 51 H LYS 11 H LYS 11 -4.921 -16.292 4.763 52 HA LYS 11 HA LYS 11 -2.754 -15.869 4.946 53 HB2 LYS 11 1HB LYS 11 -3.096 -16.041 2.086 54 HB3 LYS 11 2HB LYS 11 -1.915 -14.802 2.460 55 HG2 LYS 11 1HG LYS 11 -0.399 -16.306 3.326 56 HG3 LYS 11 2HG LYS 11 -1.639 -17.291 4.076 57 HD2 LYS 11 1HD LYS 11 -1.966 -17.488 1.213 58 HD3 LYS 11 2HD LYS 11 -0.270 -17.740 1.577 59 HE2 LYS 11 1HE LYS 11 -2.189 -19.149 3.391 60 HE3 LYS 11 2HE LYS 11 -2.178 -19.711 1.731 61 HZ1 LYS 11 1HZ LYS 11 -0.248 -20.681 2.083 62 HZ2 LYS 11 2HZ LYS 11 0.446 -19.319 2.657 63 HZ3 LYS 11 3HZ LYS 11 -0.361 -20.315 3.670 64 H THR 12 H THR 12 -1.914 -14.169 6.052 65 HA THR 12 HA THR 12 -2.294 -11.486 5.049 66 HB THR 12 HB THR 12 -4.428 -12.061 6.314 67 HG1 THR 12 1HG THR 12 -3.703 -9.869 6.286 68 HG21 THR 12 1HG2 THR 12 -3.389 -11.652 8.958 69 HG22 THR 12 2HG2 THR 12 -4.276 -13.072 8.356 70 HG23 THR 12 3HG2 THR 12 -2.499 -13.028 8.264 71 H GLU 13 H GLU 13 -0.987 -9.898 6.190 72 HA GLU 13 HA GLU 13 0.999 -11.145 7.906 73 HB2 GLU 13 1HB GLU 13 1.451 -10.278 5.208 74 HB3 GLU 13 2HB GLU 13 2.280 -9.146 6.257 75 HG2 GLU 13 1HG GLU 13 3.569 -10.894 7.307 76 HG3 GLU 13 2HG GLU 13 2.543 -12.154 6.649 77 H LEU 14 H LEU 14 2.347 -9.419 9.095 78 HA LEU 14 HA LEU 14 0.633 -7.678 10.407 79 HB2 LEU 14 1HB LEU 14 3.569 -8.140 10.294 80 HB3 LEU 14 2HB LEU 14 3.017 -6.635 11.002 81 HG LEU 14 HG LEU 14 3.437 -8.535 12.607 82 HD11 LEU 14 1HD1 LEU 14 0.759 -7.139 12.518 83 HD12 LEU 14 2HD1 LEU 14 1.300 -8.114 13.905 84 HD13 LEU 14 3HD1 LEU 14 2.225 -6.675 13.414 85 HD21 LEU 14 1HD2 LEU 14 2.469 -10.324 11.194 86 HD22 LEU 14 2HD2 LEU 14 1.795 -10.290 12.841 87 HD23 LEU 14 3HD2 LEU 14 0.851 -9.640 11.479 88 H VAL 15 H VAL 15 0.136 -5.497 10.208 89 HA VAL 15 HA VAL 15 1.345 -4.129 7.914 90 HB VAL 15 HB VAL 15 -1.587 -4.322 8.624 91 HG11 VAL 15 1HG1 VAL 15 -2.035 -2.775 6.814 92 HG12 VAL 15 2HG1 VAL 15 -0.923 -2.011 7.975 93 HG13 VAL 15 3HG1 VAL 15 -0.300 -2.655 6.437 94 HG21 VAL 15 1HG2 VAL 15 -1.822 -5.791 6.939 95 HG22 VAL 15 2HG2 VAL 15 -0.728 -4.881 5.869 96 HG23 VAL 15 3HG2 VAL 15 -0.060 -6.011 7.072 97 H GLN 16 H GLN 16 1.397 -1.789 8.116 98 HA GLN 16 HA GLN 16 0.933 -0.930 10.864 99 HB2 GLN 16 1HB GLN 16 3.407 -0.863 9.251 100 HB3 GLN 16 2HB GLN 16 3.001 0.698 9.938 101 HG2 GLN 16 1HG GLN 16 2.746 -0.412 12.199 102 HG3 GLN 16 2HG GLN 16 3.269 -1.924 11.484 103 HE21 GLN 16 1HE2 GLN 16 5.335 -1.716 10.130 104 HE22 GLN 16 2HE2 GLN 16 6.650 -0.848 10.849 105 H LYS 17 H LYS 17 -0.741 0.506 10.832 106 HA LYS 17 HA LYS 17 -1.001 2.199 8.457 107 HB2 LYS 17 1HB LYS 17 -2.930 1.036 10.425 108 HB3 LYS 17 2HB LYS 17 -3.325 2.583 9.705 109 HG2 LYS 17 1HG LYS 17 -3.545 1.700 7.564 110 HG3 LYS 17 2HG LYS 17 -2.332 0.463 7.827 111 HD2 LYS 17 1HD LYS 17 -4.514 -0.051 9.645 112 HD3 LYS 17 2HD LYS 17 -5.202 0.236 8.059 113 HE2 LYS 17 1HE LYS 17 -3.597 -1.451 7.086 114 HE3 LYS 17 2HE LYS 17 -2.982 -1.767 8.696 115 HZ1 LYS 17 1HZ LYS 17 -5.385 -2.244 9.263 116 HZ2 LYS 17 2HZ LYS 17 -5.656 -2.318 7.655 117 HZ3 LYS 17 3HZ LYS 17 -4.603 -3.352 8.353 118 H PHE 18 H PHE 18 -0.718 4.387 8.571 119 HA PHE 18 HA PHE 18 -0.464 5.518 11.263 120 HB2 PHE 18 1HB PHE 18 1.289 5.773 8.756 121 HB3 PHE 18 2HB PHE 18 1.384 6.950 10.050 122 HD1 PHE 18 2HD PHE 18 1.992 6.098 12.388 123 HD2 PHE 18 1HD PHE 18 2.512 3.780 8.872 124 HE1 PHE 18 2HE PHE 18 3.640 4.638 13.594 125 HE2 PHE 18 1HE PHE 18 4.160 2.320 10.078 126 HZ PHE 18 HZ PHE 18 4.704 2.767 12.424 127 H ARG 19 H ARG 19 -2.045 7.022 11.506 128 HA ARG 19 HA ARG 19 -3.432 8.036 9.328 129 HB2 ARG 19 1HB ARG 19 -4.603 7.989 11.404 130 HB3 ARG 19 2HB ARG 19 -3.282 8.736 12.279 131 HG2 ARG 19 1HG ARG 19 -3.921 10.872 11.701 132 HG3 ARG 19 2HG ARG 19 -4.382 10.409 10.075 133 HD2 ARG 19 1HD ARG 19 -6.566 9.905 10.681 134 HD3 ARG 19 2HD ARG 19 -6.110 9.318 12.268 135 HE ARG 19 HE ARG 19 -5.745 12.217 11.891 136 HH11 ARG 19 2HH2 ARG 19 -7.908 9.657 12.962 137 HH12 ARG 19 1HH2 ARG 19 -8.869 10.707 13.950 138 HH21 ARG 19 2HH1 ARG 19 -7.011 13.603 13.194 139 HH22 ARG 19 1HH1 ARG 19 -8.355 12.967 14.082 140 H VAL 20 H VAL 20 -2.543 9.434 7.831 141 HA VAL 20 HA VAL 20 -1.098 11.746 8.895 142 HB VAL 20 HB VAL 20 0.588 11.559 7.210 143 HG11 VAL 20 1HG1 VAL 20 0.418 8.760 8.323 144 HG12 VAL 20 2HG1 VAL 20 1.845 9.802 8.103 145 HG13 VAL 20 3HG1 VAL 20 0.672 10.159 9.394 146 HG21 VAL 20 1HG2 VAL 20 -1.041 9.218 6.201 147 HG22 VAL 20 2HG2 VAL 20 -0.526 10.677 5.322 148 HG23 VAL 20 3HG2 VAL 20 0.672 9.441 5.775 149 H GLN 21 H GLN 21 -1.173 13.630 7.448 150 HA GLN 21 HA GLN 21 -3.681 13.629 6.044 151 HB2 GLN 21 1HB GLN 21 -1.788 15.727 7.087 152 HB3 GLN 21 2HB GLN 21 -2.882 16.177 5.795 153 HG2 GLN 21 1HG GLN 21 -4.833 15.508 7.124 154 HG3 GLN 21 2HG GLN 21 -3.807 14.829 8.373 155 HE21 GLN 21 1HE2 GLN 21 -5.633 17.409 7.537 156 HE22 GLN 21 2HE2 GLN 21 -4.941 18.657 8.519 157 H TYR 22 H TYR 22 -3.944 14.143 3.808 158 HA TYR 22 HA TYR 22 -1.559 13.576 2.235 159 HB2 TYR 22 1HB TYR 22 -4.076 12.598 2.145 160 HB3 TYR 22 2HB TYR 22 -4.419 14.078 1.272 161 HD1 TYR 22 2HD TYR 22 -1.256 13.700 0.232 162 HD2 TYR 22 1HD TYR 22 -4.965 11.588 -0.061 163 HE1 TYR 22 2HE TYR 22 -0.472 12.607 -1.926 164 HE2 TYR 22 1HE TYR 22 -4.168 10.502 -2.217 165 HH TYR 22 HH TYR 22 -2.605 10.939 -3.979 166 H LEU 23 H LEU 23 -0.325 15.359 1.804 167 HA LEU 23 HA LEU 23 -1.512 17.940 1.590 168 HB2 LEU 23 1HB LEU 23 1.206 16.760 1.491 169 HB3 LEU 23 2HB LEU 23 0.984 18.281 0.649 170 HG LEU 23 HG LEU 23 -0.233 18.743 3.102 171 HD11 LEU 23 1HD1 LEU 23 1.241 16.459 3.536 172 HD12 LEU 23 2HD1 LEU 23 2.354 17.749 4.052 173 HD13 LEU 23 3HD1 LEU 23 0.733 17.628 4.779 174 HD21 LEU 23 1HD2 LEU 23 2.366 19.479 1.823 175 HD22 LEU 23 2HD2 LEU 23 0.975 20.496 2.271 176 HD23 LEU 23 3HD2 LEU 23 2.097 19.919 3.527 177 H GLY 24 H GLY 24 -0.176 15.489 -0.699 178 HA2 GLY 24 1HA GLY 24 -1.733 15.530 -2.752 179 HA3 GLY 24 2HA GLY 24 -1.103 17.154 -2.942 180 H MET 25 H MET 25 -0.722 15.160 -4.923 181 HA MET 25 HA MET 25 1.949 14.165 -4.512 182 HB2 MET 25 1HB MET 25 0.047 12.839 -5.623 183 HB3 MET 25 2HB MET 25 0.112 13.967 -6.962 184 HG2 MET 25 1HG MET 25 2.623 12.509 -6.060 185 HG3 MET 25 2HG MET 25 1.476 11.723 -7.128 186 HE1 MET 25 1HE MET 25 0.557 12.570 -9.056 187 HE2 MET 25 2HE MET 25 0.625 14.312 -9.416 188 HE3 MET 25 3HE MET 25 1.619 13.171 -10.352 189 H LEU 26 H LEU 26 3.804 15.013 -5.430 190 HA LEU 26 HA LEU 26 3.421 17.122 -7.430 191 HB2 LEU 26 1HB LEU 26 3.794 17.992 -5.081 192 HB3 LEU 26 2HB LEU 26 5.398 17.292 -5.160 193 HG LEU 26 HG LEU 26 4.737 19.030 -7.448 194 HD11 LEU 26 1HD1 LEU 26 5.265 20.477 -4.873 195 HD12 LEU 26 2HD1 LEU 26 4.581 21.079 -6.402 196 HD13 LEU 26 3HD1 LEU 26 3.598 20.051 -5.332 197 HD21 LEU 26 1HD2 LEU 26 6.977 19.736 -7.230 198 HD22 LEU 26 2HD2 LEU 26 7.074 19.186 -5.540 199 HD23 LEU 26 3HD2 LEU 26 6.980 17.995 -6.859 200 HA PRO 27 HA PRO 27 6.343 14.610 -9.438 201 HB2 PRO 27 1HB PRO 27 6.564 16.057 -11.745 202 HB3 PRO 27 2HB PRO 27 5.292 14.885 -11.467 203 HG2 PRO 27 1HG PRO 27 5.137 17.836 -11.415 204 HG3 PRO 27 2HG PRO 27 3.836 16.671 -11.564 205 HD2 PRO 27 1HD PRO 27 4.552 18.153 -9.215 206 HD3 PRO 27 2HD PRO 27 3.328 16.904 -9.334 207 H VAL 28 H VAL 28 8.558 14.430 -9.927 208 HA VAL 28 HA VAL 28 10.034 16.911 -9.565 209 HB VAL 28 HB VAL 28 11.467 15.961 -7.875 210 HG11 VAL 28 1HG1 VAL 28 10.063 16.250 -6.039 211 HG12 VAL 28 2HG1 VAL 28 9.180 17.084 -7.340 212 HG13 VAL 28 3HG1 VAL 28 8.686 15.450 -6.834 213 HG21 VAL 28 1HG2 VAL 28 11.085 13.808 -6.841 214 HG22 VAL 28 2HG2 VAL 28 9.643 13.535 -7.848 215 HG23 VAL 28 3HG2 VAL 28 11.256 13.584 -8.599 216 H ASP 29 H ASP 29 12.120 16.867 -10.552 217 HA ASP 29 HA ASP 29 12.234 15.052 -12.707 218 HB2 ASP 29 1HB ASP 29 13.095 17.546 -12.463 219 HB3 ASP 29 2HB ASP 29 14.543 16.804 -11.810 220 H ARG 30 H ARG 30 14.243 15.741 -9.750 221 HA ARG 30 HA ARG 30 15.892 13.486 -10.268 222 HB2 ARG 30 1HB ARG 30 15.902 15.813 -8.499 223 HB3 ARG 30 2HB ARG 30 16.256 14.368 -7.573 224 HG2 ARG 30 1HG ARG 30 17.666 14.928 -10.211 225 HG3 ARG 30 2HG ARG 30 18.247 15.622 -8.710 226 HD2 ARG 30 1HD ARG 30 17.708 12.783 -8.319 227 HD3 ARG 30 2HD ARG 30 18.744 12.993 -9.716 228 HE ARG 30 HE ARG 30 19.423 13.609 -6.923 229 HH11 ARG 30 2HH2 ARG 30 20.248 14.145 -10.302 230 HH12 ARG 30 1HH2 ARG 30 21.886 14.597 -9.962 231 HH21 ARG 30 2HH1 ARG 30 21.583 14.205 -6.475 232 HH22 ARG 30 1HH1 ARG 30 22.650 14.631 -7.771 233 HA PRO 31 HA PRO 31 13.112 10.854 -8.067 234 HB2 PRO 31 1HB PRO 31 14.320 8.482 -8.689 235 HB3 PRO 31 2HB PRO 31 13.137 9.257 -9.725 236 HG2 PRO 31 1HG PRO 31 16.071 9.101 -10.054 237 HG3 PRO 31 2HG PRO 31 14.850 9.481 -11.253 238 HD2 PRO 31 1HD PRO 31 16.593 11.336 -9.930 239 HD3 PRO 31 2HD PRO 31 15.295 11.727 -11.041 240 H VAL 32 H VAL 32 16.277 11.603 -7.424 241 HA VAL 32 HA VAL 32 15.952 10.436 -4.769 242 HB VAL 32 HB VAL 32 18.325 9.727 -4.813 243 HG11 VAL 32 1HG1 VAL 32 17.926 7.730 -6.381 244 HG12 VAL 32 2HG1 VAL 32 16.765 7.978 -5.054 245 HG13 VAL 32 3HG1 VAL 32 16.340 8.466 -6.713 246 HG21 VAL 32 1HG2 VAL 32 18.094 10.532 -7.718 247 HG22 VAL 32 2HG2 VAL 32 19.329 10.997 -6.523 248 HG23 VAL 32 3HG2 VAL 32 19.290 9.336 -7.163 249 H GLY 33 H GLY 33 17.028 11.631 -3.103 250 HA2 GLY 33 1HA GLY 33 18.766 13.426 -2.802 251 HA3 GLY 33 2HA GLY 33 17.845 14.331 -3.986 252 H MET 34 H MET 34 18.270 15.395 -1.428 253 HA MET 34 HA MET 34 15.716 14.938 -0.104 254 HB2 MET 34 1HB MET 34 18.455 15.926 0.782 255 HB3 MET 34 2HB MET 34 17.048 16.382 1.724 256 HG2 MET 34 1HG MET 34 16.682 13.623 1.304 257 HG3 MET 34 2HG MET 34 18.411 13.770 1.549 258 HE1 MET 34 1HE MET 34 15.082 14.259 4.569 259 HE2 MET 34 2HE MET 34 14.905 14.486 2.812 260 HE3 MET 34 3HE MET 34 15.392 12.901 3.460 261 H ASP 35 H ASP 35 17.921 17.446 -1.445 262 HA ASP 35 HA ASP 35 16.713 19.695 -0.656 263 HB2 ASP 35 1HB ASP 35 18.104 18.837 -3.175 264 HB3 ASP 35 2HB ASP 35 17.239 20.360 -3.250 265 H THR 36 H THR 36 16.024 18.003 -3.822 266 HA THR 36 HA THR 36 13.779 19.457 -4.507 267 HB THR 36 HB THR 36 14.866 16.690 -5.131 268 HG1 THR 36 1HG THR 36 15.838 18.412 -6.253 269 HG21 THR 36 1HG2 THR 36 12.992 17.285 -7.121 270 HG22 THR 36 2HG2 THR 36 12.784 16.043 -5.863 271 HG23 THR 36 3HG2 THR 36 12.111 17.673 -5.624 272 H LEU 37 H LEU 37 13.986 16.402 -2.584 273 HA LEU 37 HA LEU 37 11.340 15.887 -2.297 274 HB2 LEU 37 1HB LEU 37 13.172 14.491 -1.480 275 HB3 LEU 37 2HB LEU 37 13.516 15.652 -0.214 276 HG LEU 37 HG LEU 37 10.851 15.112 0.225 277 HD11 LEU 37 1HD1 LEU 37 11.779 13.027 -1.459 278 HD12 LEU 37 2HD1 LEU 37 11.594 12.349 0.176 279 HD13 LEU 37 3HD1 LEU 37 10.220 13.161 -0.612 280 HD21 LEU 37 1HD2 LEU 37 12.243 15.253 2.070 281 HD22 LEU 37 2HD2 LEU 37 11.830 13.522 2.033 282 HD23 LEU 37 3HD2 LEU 37 13.406 14.074 1.418 283 H ASN 38 H ASN 38 13.223 17.747 0.197 284 HA ASN 38 HA ASN 38 11.119 18.644 1.594 285 HB2 ASN 38 1HB ASN 38 13.785 19.967 0.923 286 HB3 ASN 38 2HB ASN 38 12.651 20.744 2.011 287 HD21 ASN 38 1HD2 ASN 38 14.986 18.284 1.577 288 HD22 ASN 38 2HD2 ASN 38 14.970 17.598 3.168 289 H SER 39 H SER 39 12.779 20.302 -1.198 290 HA SER 39 HA SER 39 11.402 22.567 -1.357 291 HB2 SER 39 1HB SER 39 12.670 20.752 -3.345 292 HB3 SER 39 2HB SER 39 11.524 21.887 -4.030 293 HG SER 39 HG SER 39 13.395 22.915 -2.145 294 H ALA 40 H ALA 40 10.378 19.411 -2.852 295 HA ALA 40 HA ALA 40 8.002 20.268 -3.941 296 HB1 ALA 40 1HB ALA 40 8.786 17.589 -2.726 297 HB2 ALA 40 2HB ALA 40 7.355 17.852 -3.751 298 HB3 ALA 40 3HB ALA 40 8.986 18.097 -4.420 299 H ILE 41 H ILE 41 8.588 18.816 -0.660 300 HA ILE 41 HA ILE 41 6.010 18.943 0.256 301 HB ILE 41 HB ILE 41 8.659 19.211 1.665 302 HG12 ILE 41 1HG1 ILE 41 6.723 16.884 1.507 303 HG13 ILE 41 2HG1 ILE 41 8.107 17.083 0.451 304 HG21 ILE 41 1HG2 ILE 41 6.012 19.730 2.715 305 HG22 ILE 41 2HG2 ILE 41 6.754 18.325 3.517 306 HG23 ILE 41 3HG2 ILE 41 7.603 19.890 3.497 307 HD11 ILE 41 1HD1 ILE 41 8.896 15.680 2.205 308 HD12 ILE 41 2HD1 ILE 41 9.526 17.293 2.619 309 HD13 ILE 41 3HD1 ILE 41 8.092 16.654 3.459 310 H GLU 42 H GLU 42 8.603 21.462 0.645 311 HA GLU 42 HA GLU 42 7.076 23.303 1.924 312 HB2 GLU 42 1HB GLU 42 9.543 23.326 0.280 313 HB3 GLU 42 2HB GLU 42 8.713 24.869 0.319 314 HG2 GLU 42 1HG GLU 42 8.563 24.322 2.953 315 HG3 GLU 42 2HG GLU 42 9.955 23.322 2.590 316 H ASN 43 H ASN 43 7.500 22.837 -1.647 317 HA ASN 43 HA ASN 43 6.048 24.969 -2.486 318 HB2 ASN 43 1HB ASN 43 7.269 22.807 -3.694 319 HB3 ASN 43 2HB ASN 43 5.586 22.408 -3.977 320 HD21 ASN 43 1HD2 ASN 43 7.279 22.939 -6.046 321 HD22 ASN 43 2HD2 ASN 43 6.863 24.428 -6.827 322 H LEU 44 H LEU 44 4.967 21.588 -1.695 323 HA LEU 44 HA LEU 44 2.256 22.032 -2.280 324 HB2 LEU 44 1HB LEU 44 3.874 19.951 -0.903 325 HB3 LEU 44 2HB LEU 44 2.151 19.973 -0.587 326 HG LEU 44 HG LEU 44 3.372 19.822 -3.356 327 HD11 LEU 44 1HD1 LEU 44 2.528 17.421 -3.242 328 HD12 LEU 44 2HD1 LEU 44 4.000 17.807 -2.317 329 HD13 LEU 44 3HD1 LEU 44 2.437 17.650 -1.479 330 HD21 LEU 44 1HD2 LEU 44 1.175 20.786 -3.438 331 HD22 LEU 44 2HD2 LEU 44 1.079 19.104 -4.013 332 HD23 LEU 44 3HD2 LEU 44 0.524 19.518 -2.373 333 H MET 45 H MET 45 4.128 22.065 0.825 334 HA MET 45 HA MET 45 2.252 22.431 2.622 335 HB2 MET 45 1HB MET 45 4.980 23.601 2.178 336 HB3 MET 45 2HB MET 45 4.021 24.431 3.387 337 HG2 MET 45 1HG MET 45 3.548 21.896 4.210 338 HG3 MET 45 2HG MET 45 5.082 21.611 3.412 339 HE1 MET 45 1HE MET 45 5.149 21.020 6.477 340 HE2 MET 45 2HE MET 45 4.980 22.430 7.550 341 HE3 MET 45 3HE MET 45 3.625 21.939 6.505 342 H THR 46 H THR 46 3.707 25.311 0.924 343 HA THR 46 HA THR 46 2.107 27.268 1.817 344 HB THR 46 HB THR 46 2.589 28.366 -0.366 345 HG1 THR 46 1HG THR 46 3.335 26.935 -2.071 346 HG21 THR 46 1HG2 THR 46 4.897 28.352 -0.159 347 HG22 THR 46 2HG2 THR 46 4.550 27.427 1.322 348 HG23 THR 46 3HG2 THR 46 4.980 26.574 -0.179 349 H SER 47 H SER 47 1.272 25.403 -1.186 350 HA SER 47 HA SER 47 -1.309 26.461 -1.217 351 HB2 SER 47 1HB SER 47 -1.091 25.627 -3.304 352 HB3 SER 47 2HB SER 47 0.314 24.694 -2.828 353 HG SER 47 HG SER 47 -0.930 22.913 -2.418 354 H SER 48 H SER 48 -3.348 25.474 -0.653 355 HA SER 48 HA SER 48 -4.715 24.311 0.564 356 HB2 SER 48 1HB SER 48 -2.612 22.133 0.227 357 HB3 SER 48 2HB SER 48 -4.151 21.846 1.014 358 HG SER 48 HG SER 48 -5.234 22.484 -0.956 359 H SER 49 H SER 49 -5.201 24.448 2.748 360 HA SER 49 HA SER 49 -3.052 25.079 4.486 361 HB2 SER 49 1HB SER 49 -6.005 24.657 5.127 362 HB3 SER 49 2HB SER 49 -4.832 25.446 6.163 363 HG SER 49 HG SER 49 -6.277 26.485 4.055 364 H LYS 50 H LYS 50 -3.362 24.003 6.900 365 HA LYS 50 HA LYS 50 -2.497 21.359 6.602 366 HB2 LYS 50 1HB LYS 50 -1.637 22.333 8.483 367 HB3 LYS 50 2HB LYS 50 -3.107 23.209 8.855 368 HG2 LYS 50 1HG LYS 50 -4.193 21.203 9.704 369 HG3 LYS 50 2HG LYS 50 -2.914 20.175 9.090 370 HD2 LYS 50 1HD LYS 50 -1.561 22.047 10.712 371 HD3 LYS 50 2HD LYS 50 -3.030 21.703 11.602 372 HE2 LYS 50 1HE LYS 50 -2.079 19.187 10.612 373 HE3 LYS 50 2HE LYS 50 -0.681 20.025 11.255 374 HZ1 LYS 50 1HZ LYS 50 -3.187 19.863 12.760 375 HZ2 LYS 50 2HZ LYS 50 -2.052 18.693 12.854 376 HZ3 LYS 50 3HZ LYS 50 -1.695 20.216 13.321 377 H GLU 51 H GLU 51 -5.649 22.777 7.682 378 HA GLU 51 HA GLU 51 -6.817 20.291 8.152 379 HB2 GLU 51 1HB GLU 51 -8.044 23.015 7.550 380 HB3 GLU 51 2HB GLU 51 -8.981 21.623 8.054 381 HG2 GLU 51 1HG GLU 51 -6.593 22.533 9.695 382 HG3 GLU 51 2HG GLU 51 -8.142 23.332 9.875 383 H ASP 52 H ASP 52 -6.581 22.411 5.267 384 HA ASP 52 HA ASP 52 -8.479 21.324 3.694 385 HB2 ASP 52 1HB ASP 52 -5.712 22.419 3.137 386 HB3 ASP 52 2HB ASP 52 -6.642 21.757 1.808 387 H TRP 53 H TRP 53 -5.494 19.910 4.905 388 HA TRP 53 HA TRP 53 -5.305 17.891 2.867 389 HB2 TRP 53 1HB TRP 53 -3.897 17.977 5.534 390 HB3 TRP 53 2HB TRP 53 -3.437 17.079 4.101 391 HD1 TRP 53 HD TRP 53 -4.024 19.874 2.213 392 HE1 TRP 53 1HE TRP 53 -2.121 21.695 2.058 393 HE3 TRP 53 3HE TRP 53 -1.527 18.376 6.382 394 HZ2 TRP 53 2HZ TRP 53 0.165 22.292 3.660 395 HZ3 TRP 53 3HZ TRP 53 0.531 19.632 7.017 396 HH2 TRP 53 HH TRP 53 1.384 21.528 5.732 397 HA PRO 54 HA PRO 54 -8.272 15.408 4.922 398 HB2 PRO 54 1HB PRO 54 -8.285 13.321 3.158 399 HB3 PRO 54 2HB PRO 54 -9.243 14.771 2.933 400 HG2 PRO 54 1HG PRO 54 -6.763 13.955 1.547 401 HG3 PRO 54 2HG PRO 54 -7.947 15.152 1.064 402 HD2 PRO 54 1HD PRO 54 -5.369 15.657 2.215 403 HD3 PRO 54 2HD PRO 54 -6.600 16.846 1.839 404 H SER 55 H SER 55 -8.168 14.146 6.676 405 HA SER 55 HA SER 55 -5.649 13.099 7.288 406 HB2 SER 55 1HB SER 55 -8.018 12.011 8.737 407 HB3 SER 55 2HB SER 55 -6.544 12.713 9.375 408 HG SER 55 HG SER 55 -7.365 14.835 8.780 409 H VAL 56 H VAL 56 -4.835 11.436 6.023 410 HA VAL 56 HA VAL 56 -6.648 9.178 5.527 411 HB VAL 56 HB VAL 56 -5.381 8.705 3.574 412 HG11 VAL 56 1HG1 VAL 56 -6.016 10.487 2.216 413 HG12 VAL 56 2HG1 VAL 56 -7.053 10.702 3.646 414 HG13 VAL 56 3HG1 VAL 56 -5.598 11.707 3.443 415 HG21 VAL 56 1HG2 VAL 56 -3.161 9.390 4.671 416 HG22 VAL 56 2HG2 VAL 56 -3.353 9.715 2.931 417 HG23 VAL 56 3HG2 VAL 56 -3.533 11.037 4.109 418 H ASN 57 H ASN 57 -5.147 7.064 5.161 419 HA ASN 57 HA ASN 57 -3.367 7.033 7.472 420 HB2 ASN 57 1HB ASN 57 -5.360 4.975 6.432 421 HB3 ASN 57 2HB ASN 57 -4.013 4.469 7.434 422 HD21 ASN 57 1HD2 ASN 57 -7.106 4.942 7.627 423 HD22 ASN 57 2HD2 ASN 57 -7.315 5.649 9.194 424 H MET 58 H MET 58 -1.467 5.562 7.238 425 HA MET 58 HA MET 58 -0.900 5.021 4.426 426 HB2 MET 58 1HB MET 58 0.567 6.757 5.454 427 HB3 MET 58 2HB MET 58 0.957 5.679 6.780 428 HG2 MET 58 1HG MET 58 2.070 4.105 5.218 429 HG3 MET 58 2HG MET 58 1.606 5.096 3.849 430 HE1 MET 58 1HE MET 58 1.924 7.405 3.701 431 HE2 MET 58 2HE MET 58 2.689 8.413 4.953 432 HE3 MET 58 3HE MET 58 3.633 7.876 3.543 433 H ASN 59 H ASN 59 -1.251 2.862 4.053 434 HA ASN 59 HA ASN 59 -0.845 1.001 6.168 435 HB2 ASN 59 1HB ASN 59 -2.692 0.661 4.562 436 HB3 ASN 59 2HB ASN 59 -1.573 0.665 3.213 437 HD21 ASN 59 1HD2 ASN 59 -3.477 -1.298 4.737 438 HD22 ASN 59 2HD2 ASN 59 -2.584 -2.782 4.786 439 H VAL 60 H VAL 60 0.912 -0.493 6.325 440 HA VAL 60 HA VAL 60 2.873 -0.439 4.155 441 HB VAL 60 HB VAL 60 3.431 -0.014 7.096 442 HG11 VAL 60 1HG1 VAL 60 5.415 -0.977 6.744 443 HG12 VAL 60 2HG1 VAL 60 5.083 -1.159 5.005 444 HG13 VAL 60 3HG1 VAL 60 5.793 0.352 5.622 445 HG21 VAL 60 1HG2 VAL 60 3.304 1.768 4.719 446 HG22 VAL 60 2HG2 VAL 60 2.997 2.117 6.437 447 HG23 VAL 60 3HG2 VAL 60 4.669 2.026 5.833 448 H ALA 61 H ALA 61 2.855 -2.501 3.414 449 HA ALA 61 HA ALA 61 3.538 -4.609 5.197 450 HB1 ALA 61 1HB ALA 61 0.696 -4.309 4.212 451 HB2 ALA 61 2HB ALA 61 1.391 -5.923 4.495 452 HB3 ALA 61 3HB ALA 61 1.284 -4.754 5.832 453 H ASP 62 H ASP 62 3.579 -6.764 3.891 454 HA ASP 62 HA ASP 62 4.653 -7.744 2.252 455 HB2 ASP 62 1HB ASP 62 2.096 -7.229 1.499 456 HB3 ASP 62 2HB ASP 62 2.917 -6.360 0.218 457 H ALA 63 H ALA 63 5.858 -5.185 2.956 458 HA ALA 63 HA ALA 63 7.252 -3.624 2.227 459 HB1 ALA 63 1HB ALA 63 7.946 -4.925 -0.319 460 HB2 ALA 63 2HB ALA 63 8.963 -4.579 1.101 461 HB3 ALA 63 3HB ALA 63 7.956 -6.046 1.064 462 H THR 64 H THR 64 4.779 -2.739 1.829 463 HA THR 64 HA THR 64 5.008 -1.333 -0.709 464 HB THR 64 HB THR 64 2.739 -3.203 0.098 465 HG1 THR 64 1HG THR 64 3.233 -3.832 -2.144 466 HG21 THR 64 1HG2 THR 64 1.405 -2.256 -1.735 467 HG22 THR 64 2HG2 THR 64 1.774 -0.946 -0.588 468 HG23 THR 64 3HG2 THR 64 2.688 -1.080 -2.109 469 H VAL 65 H VAL 65 3.543 0.566 -0.819 470 HA VAL 65 HA VAL 65 2.784 1.452 1.873 471 HB VAL 65 HB VAL 65 4.562 2.755 -0.152 472 HG11 VAL 65 1HG1 VAL 65 2.974 4.475 -0.010 473 HG12 VAL 65 2HG1 VAL 65 2.650 4.164 1.713 474 HG13 VAL 65 3HG1 VAL 65 4.187 4.913 1.217 475 HG21 VAL 65 1HG2 VAL 65 5.112 3.424 2.581 476 HG22 VAL 65 2HG2 VAL 65 4.846 1.668 2.463 477 HG23 VAL 65 3HG2 VAL 65 6.082 2.451 1.449 478 H THR 66 H THR 66 0.574 1.265 1.672 479 HA THR 66 HA THR 66 -0.612 2.625 -0.659 480 HB THR 66 HB THR 66 -1.508 0.208 0.992 481 HG1 THR 66 1HG THR 66 -0.433 -0.647 -0.744 482 HG21 THR 66 1HG2 THR 66 -3.124 0.492 -1.309 483 HG22 THR 66 2HG2 THR 66 -3.649 0.740 0.374 484 HG23 THR 66 3HG2 THR 66 -3.087 2.123 -0.596 485 H VAL 67 H VAL 67 -1.762 4.420 -0.311 486 HA VAL 67 HA VAL 67 -2.157 5.212 2.443 487 HB VAL 67 HB VAL 67 -2.680 6.640 -0.172 488 HG11 VAL 67 1HG1 VAL 67 -4.002 7.808 1.324 489 HG12 VAL 67 2HG1 VAL 67 -2.939 7.458 2.708 490 HG13 VAL 67 3HG1 VAL 67 -2.450 8.663 1.493 491 HG21 VAL 67 1HG2 VAL 67 -0.440 6.736 -0.285 492 HG22 VAL 67 2HG2 VAL 67 -0.551 7.891 1.065 493 HG23 VAL 67 3HG2 VAL 67 -0.240 6.169 1.391 494 H ILE 68 H ILE 68 -3.892 4.305 3.450 495 HA ILE 68 HA ILE 68 -6.315 3.925 1.869 496 HB ILE 68 HB ILE 68 -5.553 2.918 4.612 497 HG12 ILE 68 1HG1 ILE 68 -5.369 1.702 1.860 498 HG13 ILE 68 2HG1 ILE 68 -4.131 1.821 3.094 499 HG21 ILE 68 1HG2 ILE 68 -8.099 3.190 3.473 500 HG22 ILE 68 2HG2 ILE 68 -7.673 1.473 3.281 501 HG23 ILE 68 3HG2 ILE 68 -7.641 2.222 4.895 502 HD11 ILE 68 1HD1 ILE 68 -6.466 -0.079 2.921 503 HD12 ILE 68 2HD1 ILE 68 -4.770 -0.408 3.349 504 HD13 ILE 68 3HD1 ILE 68 -5.851 0.369 4.530 505 H SER 69 H SER 69 -8.312 4.872 2.438 506 HA SER 69 HA SER 69 -8.124 7.432 3.439 507 HB2 SER 69 1HB SER 69 -9.962 7.041 2.032 508 HB3 SER 69 2HB SER 69 -10.392 5.540 2.828 509 HG SER 69 HG SER 69 -11.924 6.969 3.553 510 H GLU 70 H GLU 70 -9.666 8.205 5.359 511 HA GLU 70 HA GLU 70 -8.802 6.660 7.637 512 HB2 GLU 70 1HB GLU 70 -8.277 8.886 8.044 513 HB3 GLU 70 2HB GLU 70 -9.659 9.495 7.154 514 HG2 GLU 70 1HG GLU 70 -11.184 8.770 8.980 515 HG3 GLU 70 2HG GLU 70 -9.831 8.088 9.861 516 H LYS 71 H LYS 71 -11.812 8.057 6.189 517 HA LYS 71 HA LYS 71 -13.398 6.576 8.120 518 HB2 LYS 71 1HB LYS 71 -13.724 8.989 6.540 519 HB3 LYS 71 2HB LYS 71 -15.079 7.904 6.299 520 HG2 LYS 71 1HG LYS 71 -14.113 8.266 9.125 521 HG3 LYS 71 2HG LYS 71 -14.939 9.626 8.391 522 HD2 LYS 71 1HD LYS 71 -16.909 8.242 7.898 523 HD3 LYS 71 2HD LYS 71 -16.078 6.793 8.428 524 HE2 LYS 71 1HE LYS 71 -16.425 9.147 10.320 525 HE3 LYS 71 2HE LYS 71 -17.722 7.990 10.093 526 HZ1 LYS 71 1HZ LYS 71 -16.367 7.296 11.886 527 HZ2 LYS 71 2HZ LYS 71 -16.112 6.245 10.662 528 HZ3 LYS 71 3HZ LYS 71 -14.996 7.388 11.003 529 H ASN 72 H ASN 72 -11.973 4.765 6.709 530 HA ASN 72 HA ASN 72 -13.825 3.095 5.720 531 HB2 ASN 72 1HB ASN 72 -12.938 5.074 3.670 532 HB3 ASN 72 2HB ASN 72 -12.808 3.408 3.144 533 HD21 ASN 72 1HD2 ASN 72 -14.516 5.083 1.893 534 HD22 ASN 72 2HD2 ASN 72 -16.167 4.679 2.226 535 H GLU 73 H GLU 73 -12.449 1.512 6.657 536 HA GLU 73 HA GLU 73 -9.667 1.545 6.042 537 HB2 GLU 73 1HB GLU 73 -11.485 -0.129 7.775 538 HB3 GLU 73 2HB GLU 73 -9.900 -0.757 7.371 539 HG2 GLU 73 1HG GLU 73 -8.805 0.776 8.687 540 HG3 GLU 73 2HG GLU 73 -9.872 2.088 8.228 541 H GLU 74 H GLU 74 -10.617 1.426 3.595 542 HA GLU 74 HA GLU 74 -9.842 -1.138 2.720 543 HB2 GLU 74 1HB GLU 74 -11.994 -1.610 1.449 544 HB3 GLU 74 2HB GLU 74 -12.094 -1.827 3.185 545 HG2 GLU 74 1HG GLU 74 -13.912 -0.457 3.094 546 HG3 GLU 74 2HG GLU 74 -12.764 0.855 2.921 547 H GLU 75 H GLU 75 -11.467 1.997 2.006 548 HA GLU 75 HA GLU 75 -10.952 2.017 -0.703 549 HB2 GLU 75 1HB GLU 75 -12.308 3.637 0.993 550 HB3 GLU 75 2HB GLU 75 -10.863 4.610 0.804 551 HG2 GLU 75 1HG GLU 75 -11.179 4.873 -1.532 552 HG3 GLU 75 2HG GLU 75 -12.208 3.460 -1.656 553 H VAL 76 H VAL 76 -9.033 2.004 -1.784 554 HA VAL 76 HA VAL 76 -6.665 2.885 -0.328 555 HB VAL 76 HB VAL 76 -7.143 1.220 -2.795 556 HG11 VAL 76 1HG1 VAL 76 -4.606 2.524 -1.832 557 HG12 VAL 76 2HG1 VAL 76 -4.548 0.945 -2.652 558 HG13 VAL 76 3HG1 VAL 76 -5.239 2.358 -3.488 559 HG21 VAL 76 1HG2 VAL 76 -5.576 0.482 -0.318 560 HG22 VAL 76 2HG2 VAL 76 -7.344 0.290 -0.402 561 HG23 VAL 76 3HG2 VAL 76 -6.299 -0.585 -1.546 562 H LEU 77 H LEU 77 -6.414 5.078 -0.454 563 HA LEU 77 HA LEU 77 -7.328 6.585 -2.647 564 HB2 LEU 77 1HB LEU 77 -5.386 7.231 -0.426 565 HB3 LEU 77 2HB LEU 77 -6.001 8.402 -1.575 566 HG LEU 77 HG LEU 77 -8.001 6.806 -0.034 567 HD11 LEU 77 1HD1 LEU 77 -7.752 8.800 1.706 568 HD12 LEU 77 2HD1 LEU 77 -6.852 7.274 1.876 569 HD13 LEU 77 3HD1 LEU 77 -6.053 8.707 1.185 570 HD21 LEU 77 1HD2 LEU 77 -9.149 9.054 -0.038 571 HD22 LEU 77 2HD2 LEU 77 -7.831 9.638 -1.083 572 HD23 LEU 77 3HD2 LEU 77 -8.886 8.316 -1.636 573 H VAL 78 H VAL 78 -3.947 5.780 -1.568 574 HA VAL 78 HA VAL 78 -3.208 5.875 -4.409 575 HB VAL 78 HB VAL 78 -1.998 7.217 -2.030 576 HG11 VAL 78 1HG1 VAL 78 0.092 7.484 -3.599 577 HG12 VAL 78 2HG1 VAL 78 -0.071 6.049 -2.558 578 HG13 VAL 78 3HG1 VAL 78 -0.476 5.944 -4.288 579 HG21 VAL 78 1HG2 VAL 78 -2.920 7.928 -4.759 580 HG22 VAL 78 2HG2 VAL 78 -2.970 8.864 -3.246 581 HG23 VAL 78 3HG2 VAL 78 -1.462 8.772 -4.186 582 H GLU 79 H GLU 79 -1.705 4.298 -5.097 583 HA GLU 79 HA GLU 79 -1.153 2.288 -3.053 584 HB2 GLU 79 1HB GLU 79 -2.859 1.531 -4.701 585 HB3 GLU 79 2HB GLU 79 -1.742 1.845 -6.014 586 HG2 GLU 79 1HG GLU 79 -0.151 0.245 -4.497 587 HG3 GLU 79 2HG GLU 79 -1.710 -0.362 -3.976 588 H CYS 80 H CYS 80 0.972 2.811 -2.524 589 HA CYS 80 HA CYS 80 2.821 2.940 -4.795 590 HB2 CYS 80 1HB CYS 80 3.060 4.249 -2.066 591 HB3 CYS 80 2HB CYS 80 4.327 4.232 -3.276 592 HG CYS 80 HG CYS 80 3.581 6.061 -4.578 593 H ARG 81 H ARG 81 4.866 1.769 -4.512 594 HA ARG 81 HA ARG 81 4.702 -0.189 -2.364 595 HB2 ARG 81 1HB ARG 81 5.577 -0.569 -5.266 596 HB3 ARG 81 2HB ARG 81 5.929 -1.749 -4.020 597 HG2 ARG 81 1HG ARG 81 3.546 -2.099 -3.579 598 HG3 ARG 81 2HG ARG 81 3.104 -0.764 -4.626 599 HD2 ARG 81 1HD ARG 81 4.402 -2.129 -6.491 600 HD3 ARG 81 2HD ARG 81 4.201 -3.486 -5.401 601 HE ARG 81 HE ARG 81 2.093 -2.152 -6.938 602 HH11 ARG 81 2HH2 ARG 81 2.779 -4.166 -4.136 603 HH12 ARG 81 1HH2 ARG 81 1.185 -4.839 -4.069 604 HH21 ARG 81 2HH1 ARG 81 -0.011 -3.039 -6.851 605 HH22 ARG 81 1HH1 ARG 81 -0.413 -4.193 -5.624 606 H VAL 82 H VAL 82 7.175 -1.422 -2.581 607 HA VAL 82 HA VAL 82 8.975 0.818 -2.043 608 HB VAL 82 HB VAL 82 10.252 -0.743 -0.753 609 HG11 VAL 82 1HG1 VAL 82 8.150 -1.727 0.658 610 HG12 VAL 82 2HG1 VAL 82 8.713 -0.041 0.752 611 HG13 VAL 82 3HG1 VAL 82 7.336 -0.463 -0.295 612 HG21 VAL 82 1HG2 VAL 82 10.364 -2.878 -1.402 613 HG22 VAL 82 2HG2 VAL 82 8.764 -3.118 -0.659 614 HG23 VAL 82 3HG2 VAL 82 8.891 -2.720 -2.390 615 H ARG 83 H ARG 83 8.400 -1.987 -4.149 616 HA ARG 83 HA ARG 83 10.999 -2.033 -5.192 617 HB2 ARG 83 1HB ARG 83 10.149 -3.662 -6.731 618 HB3 ARG 83 2HB ARG 83 9.196 -3.889 -5.278 619 HG2 ARG 83 1HG ARG 83 7.985 -1.857 -7.014 620 HG3 ARG 83 2HG ARG 83 8.222 -3.360 -7.884 621 HD2 ARG 83 1HD ARG 83 7.231 -4.252 -5.431 622 HD3 ARG 83 2HD ARG 83 6.359 -2.749 -5.658 623 HE ARG 83 HE ARG 83 5.148 -3.761 -7.377 624 HH11 ARG 83 2HH2 ARG 83 8.141 -5.550 -6.904 625 HH12 ARG 83 1HH2 ARG 83 7.726 -6.794 -8.035 626 HH21 ARG 83 2HH1 ARG 83 4.600 -5.402 -8.870 627 HH22 ARG 83 1HH1 ARG 83 5.698 -6.709 -9.161 628 H PHE 84 H PHE 84 8.291 0.085 -5.593 629 HA PHE 84 HA PHE 84 9.297 0.989 -8.192 630 HB2 PHE 84 1HB PHE 84 6.682 1.390 -6.621 631 HB3 PHE 84 2HB PHE 84 7.000 2.184 -8.150 632 HD1 PHE 84 2HD PHE 84 8.372 -0.152 -9.533 633 HD2 PHE 84 1HD PHE 84 4.816 0.084 -7.229 634 HE1 PHE 84 2HE PHE 84 7.447 -2.140 -10.756 635 HE2 PHE 84 1HE PHE 84 3.891 -1.903 -8.453 636 HZ PHE 84 HZ PHE 84 5.218 -2.991 -10.201 637 H LEU 85 H LEU 85 9.623 1.603 -4.907 638 HA LEU 85 HA LEU 85 9.389 4.445 -4.963 639 HB2 LEU 85 1HB LEU 85 9.718 2.377 -3.035 640 HB3 LEU 85 2HB LEU 85 11.033 3.516 -2.823 641 HG LEU 85 HG LEU 85 8.230 4.561 -3.064 642 HD11 LEU 85 1HD1 LEU 85 8.360 4.400 -0.413 643 HD12 LEU 85 2HD1 LEU 85 7.655 3.104 -1.410 644 HD13 LEU 85 3HD1 LEU 85 9.321 2.953 -0.802 645 HD21 LEU 85 1HD2 LEU 85 10.802 5.645 -2.510 646 HD22 LEU 85 2HD2 LEU 85 9.232 6.480 -2.593 647 HD23 LEU 85 3HD2 LEU 85 9.806 5.816 -1.044 648 H SER 86 H SER 86 11.093 6.004 -4.938 649 HA SER 86 HA SER 86 13.545 4.929 -6.096 650 HB2 SER 86 1HB SER 86 11.905 7.371 -6.691 651 HB3 SER 86 2HB SER 86 13.644 7.543 -6.819 652 HG SER 86 HG SER 86 11.996 6.499 -8.638 653 H PHE 87 H PHE 87 12.051 7.239 -3.788 654 HA PHE 87 HA PHE 87 14.129 7.009 -1.958 655 HB2 PHE 87 1HB PHE 87 15.204 8.393 -3.884 656 HB3 PHE 87 2HB PHE 87 14.030 9.647 -3.536 657 HD1 PHE 87 1HD PHE 87 14.172 10.946 -1.465 658 HD2 PHE 87 2HD PHE 87 17.075 7.997 -2.405 659 HE1 PHE 87 1HE PHE 87 15.708 11.903 0.274 660 HE2 PHE 87 2HE PHE 87 18.611 8.954 -0.666 661 HZ PHE 87 HZ PHE 87 17.909 10.896 0.653 662 H MET 88 H MET 88 13.946 8.875 -0.222 663 HA MET 88 HA MET 88 11.599 10.393 -0.225 664 HB2 MET 88 1HB MET 88 10.278 9.156 1.431 665 HB3 MET 88 2HB MET 88 10.649 8.047 0.126 666 HG2 MET 88 1HG MET 88 12.523 7.081 1.427 667 HG3 MET 88 2HG MET 88 12.275 8.252 2.707 668 HE1 MET 88 1HE MET 88 10.882 5.476 0.608 669 HE2 MET 88 2HE MET 88 11.585 4.580 1.976 670 HE3 MET 88 3HE MET 88 9.826 4.555 1.705 671 H GLY 89 H GLY 89 11.187 10.276 2.711 672 HA2 GLY 89 1HA GLY 89 13.144 10.353 4.449 673 HA3 GLY 89 2HA GLY 89 13.605 11.739 3.481 674 H VAL 90 H VAL 90 13.188 12.640 5.843 675 HA VAL 90 HA VAL 90 10.343 13.281 6.125 676 HB VAL 90 HB VAL 90 12.668 13.357 8.053 677 HG11 VAL 90 1HG1 VAL 90 10.868 15.236 8.234 678 HG12 VAL 90 2HG1 VAL 90 9.820 13.934 8.846 679 HG13 VAL 90 3HG1 VAL 90 11.335 14.330 9.693 680 HG21 VAL 90 1HG2 VAL 90 10.652 11.375 7.371 681 HG22 VAL 90 2HG2 VAL 90 12.095 11.225 8.403 682 HG23 VAL 90 3HG2 VAL 90 10.567 11.825 9.091 683 H GLY 91 H GLY 91 9.671 15.231 5.410 684 HA2 GLY 91 1HA GLY 91 11.238 17.112 4.189 685 HA3 GLY 91 2HA GLY 91 9.677 17.429 4.921 686 H LYS 92 H LYS 92 11.202 19.570 5.056 687 HA LYS 92 HA LYS 92 13.206 19.898 6.802 688 HB2 LYS 92 1HB LYS 92 10.892 21.606 5.989 689 HB3 LYS 92 2HB LYS 92 11.885 22.157 7.322 690 HG2 LYS 92 1HG LYS 92 13.709 22.563 5.979 691 HG3 LYS 92 2HG LYS 92 13.438 21.138 4.997 692 HD2 LYS 92 1HD LYS 92 11.769 22.240 3.656 693 HD3 LYS 92 2HD LYS 92 11.603 23.558 4.800 694 HE2 LYS 92 1HE LYS 92 14.339 23.109 3.629 695 HE3 LYS 92 2HE LYS 92 13.114 23.758 2.557 696 HZ1 LYS 92 1HZ LYS 92 13.086 25.675 3.664 697 HZ2 LYS 92 2HZ LYS 92 13.213 24.990 5.141 698 HZ3 LYS 92 3HZ LYS 92 14.549 25.222 4.231 699 H ASP 93 H ASP 93 9.687 19.807 7.675 700 HA ASP 93 HA ASP 93 10.356 19.902 10.437 701 HB2 ASP 93 1HB ASP 93 7.644 18.956 9.688 702 HB3 ASP 93 2HB ASP 93 8.108 20.271 10.748 703 H VAL 94 H VAL 94 9.491 18.101 11.958 704 HA VAL 94 HA VAL 94 10.310 15.550 10.887 705 HB VAL 94 HB VAL 94 10.151 14.821 13.207 706 HG11 VAL 94 1HG1 VAL 94 11.575 17.466 12.782 707 HG12 VAL 94 2HG1 VAL 94 11.840 16.402 14.184 708 HG13 VAL 94 3HG1 VAL 94 12.231 15.828 12.545 709 HG21 VAL 94 1HG2 VAL 94 9.740 17.216 14.640 710 HG22 VAL 94 2HG2 VAL 94 8.420 17.124 13.450 711 HG23 VAL 94 3HG2 VAL 94 8.686 15.782 14.589 712 H HIS 95 H HIS 95 7.446 17.361 10.993 713 HA HIS 95 HA HIS 95 5.809 14.953 11.211 714 HB2 HIS 95 1HB HIS 95 4.501 17.596 10.982 715 HB3 HIS 95 2HB HIS 95 4.119 16.230 12.011 716 HD1 HIS 95 1HD HIS 95 6.802 18.966 11.794 717 HD2 HIS 95 2HD HIS 95 4.795 16.617 14.632 718 HE1 HIS 95 1HE HIS 95 7.576 19.791 14.081 719 H THR 96 H THR 96 7.588 15.695 8.894 720 HA THR 96 HA THR 96 5.462 15.705 6.865 721 HB THR 96 HB THR 96 7.217 17.098 5.505 722 HG1 THR 96 1HG THR 96 8.416 18.381 7.341 723 HG21 THR 96 1HG2 THR 96 6.001 18.395 8.001 724 HG22 THR 96 2HG2 THR 96 6.517 19.241 6.522 725 HG23 THR 96 3HG2 THR 96 5.122 18.136 6.475 726 H PHE 97 H PHE 97 5.551 14.045 5.480 727 HA PHE 97 HA PHE 97 8.148 12.758 5.118 728 HB2 PHE 97 1HB PHE 97 6.869 11.493 6.848 729 HB3 PHE 97 2HB PHE 97 5.428 11.526 5.852 730 HD1 PHE 97 1HD PHE 97 8.991 10.436 5.500 731 HD2 PHE 97 2HD PHE 97 4.900 9.558 4.794 732 HE1 PHE 97 1HE PHE 97 9.638 8.232 4.489 733 HE2 PHE 97 2HE PHE 97 5.547 7.353 3.783 734 HZ PHE 97 HZ PHE 97 7.909 6.717 3.643 735 H ALA 98 H ALA 98 8.587 12.384 2.989 736 HA ALA 98 HA ALA 98 6.346 11.962 1.180 737 HB1 ALA 98 1HB ALA 98 7.194 13.670 -0.382 738 HB2 ALA 98 2HB ALA 98 6.746 14.403 1.176 739 HB3 ALA 98 3HB ALA 98 8.459 14.121 0.786 740 H PHE 99 H PHE 99 6.993 10.879 -0.801 741 HA PHE 99 HA PHE 99 9.767 10.026 -0.905 742 HB2 PHE 99 1HB PHE 99 9.035 7.646 -0.989 743 HB3 PHE 99 2HB PHE 99 8.450 8.368 0.496 744 HD1 PHE 99 1HD PHE 99 7.360 7.707 -3.009 745 HD2 PHE 99 2HD PHE 99 6.212 8.142 1.054 746 HE1 PHE 99 1HE PHE 99 5.019 7.017 -3.596 747 HE2 PHE 99 2HE PHE 99 3.872 7.452 0.466 748 HZ PHE 99 HZ PHE 99 3.303 6.898 -1.851 749 H ILE 100 H ILE 100 10.453 9.406 -3.007 750 HA ILE 100 HA ILE 100 8.619 10.275 -5.085 751 HB ILE 100 HB ILE 100 11.524 9.503 -5.329 752 HG12 ILE 100 1HG1 ILE 100 10.408 12.277 -4.828 753 HG13 ILE 100 2HG1 ILE 100 11.157 11.280 -3.597 754 HG21 ILE 100 1HG2 ILE 100 10.874 11.505 -7.156 755 HG22 ILE 100 2HG2 ILE 100 11.111 9.774 -7.496 756 HG23 ILE 100 3HG2 ILE 100 9.476 10.403 -7.182 757 HD11 ILE 100 1HD1 ILE 100 13.261 11.191 -4.906 758 HD12 ILE 100 2HD1 ILE 100 12.503 12.157 -6.195 759 HD13 ILE 100 3HD1 ILE 100 12.783 12.877 -4.591 760 H MET 101 H MET 101 7.497 8.898 -6.363 761 HA MET 101 HA MET 101 8.283 6.095 -6.176 762 HB2 MET 101 1HB MET 101 5.953 5.546 -6.411 763 HB3 MET 101 2HB MET 101 5.951 6.940 -5.348 764 HG2 MET 101 1HG MET 101 5.587 8.416 -7.395 765 HG3 MET 101 2HG MET 101 5.425 6.961 -8.359 766 HE1 MET 101 1HE MET 101 2.335 5.211 -6.712 767 HE2 MET 101 2HE MET 101 3.618 5.111 -7.942 768 HE3 MET 101 3HE MET 101 4.030 4.993 -6.215 769 H ASP 102 H ASP 102 7.696 4.753 -8.196 770 HA ASP 102 HA ASP 102 8.148 6.409 -10.554 771 HB2 ASP 102 1HB ASP 102 10.181 5.242 -10.342 772 HB3 ASP 102 2HB ASP 102 9.418 3.830 -9.638 773 H THR 103 H THR 103 6.176 6.344 -11.662 774 HA THR 103 HA THR 103 4.518 3.968 -11.455 775 HB THR 103 HB THR 103 2.903 5.483 -12.692 776 HG1 THR 103 1HG THR 103 4.189 6.924 -13.830 777 HG21 THR 103 1HG2 THR 103 2.372 6.715 -10.804 778 HG22 THR 103 2HG2 THR 103 3.621 5.702 -10.041 779 HG23 THR 103 3HG2 THR 103 4.032 7.331 -10.628 780 H GLY 104 H GLY 104 5.966 5.966 -14.118 781 HA2 GLY 104 1HA GLY 104 6.892 3.735 -15.549 782 HA3 GLY 104 2HA GLY 104 5.310 4.166 -16.165 783 H ASN 105 H ASN 105 8.074 4.395 -17.396 784 HA ASN 105 HA ASN 105 8.991 5.739 -18.844 785 HB2 ASN 105 1HB ASN 105 7.058 7.971 -18.049 786 HB3 ASN 105 2HB ASN 105 7.949 7.837 -19.552 787 HD21 ASN 105 1HD2 ASN 105 6.247 7.814 -20.913 788 HD22 ASN 105 2HD2 ASN 105 5.074 6.544 -21.017 789 H GLN 106 H GLN 106 9.672 8.506 -18.755 790 HA GLN 106 HA GLN 106 11.369 8.495 -16.460 791 HB2 GLN 106 1HB GLN 106 11.091 10.244 -18.918 792 HB3 GLN 106 2HB GLN 106 12.082 10.775 -17.573 793 HG2 GLN 106 1HG GLN 106 13.757 9.343 -18.130 794 HG3 GLN 106 2HG GLN 106 12.659 7.979 -18.198 795 HE21 GLN 106 1HE2 GLN 106 14.800 8.321 -19.928 796 HE22 GLN 106 2HE2 GLN 106 14.228 8.565 -21.545 797 H ARG 107 H ARG 107 8.874 8.561 -15.415 798 HA ARG 107 HA ARG 107 8.632 11.350 -14.625 799 HB2 ARG 107 1HB ARG 107 6.620 9.607 -15.839 800 HB3 ARG 107 2HB ARG 107 6.088 10.106 -14.245 801 HG2 ARG 107 1HG ARG 107 7.255 12.203 -16.079 802 HG3 ARG 107 2HG ARG 107 5.633 11.627 -16.408 803 HD2 ARG 107 1HD ARG 107 5.700 12.075 -13.600 804 HD3 ARG 107 2HD ARG 107 6.551 13.438 -14.299 805 HE ARG 107 HE ARG 107 4.486 14.232 -15.018 806 HH11 ARG 107 2HH2 ARG 107 4.320 10.721 -14.852 807 HH12 ARG 107 1HH2 ARG 107 2.660 10.649 -15.343 808 HH21 ARG 107 2HH1 ARG 107 2.297 14.137 -15.666 809 HH22 ARG 107 1HH1 ARG 107 1.502 12.605 -15.809 810 H PHE 108 H PHE 108 8.205 11.701 -12.368 811 HA PHE 108 HA PHE 108 7.962 9.297 -10.731 812 HB2 PHE 108 1HB PHE 108 9.895 11.639 -10.247 813 HB3 PHE 108 2HB PHE 108 9.806 10.169 -9.297 814 HD1 PHE 108 1HD PHE 108 10.211 7.943 -10.681 815 HD2 PHE 108 2HD PHE 108 11.531 11.797 -11.869 816 HE1 PHE 108 1HE PHE 108 11.964 6.893 -12.140 817 HE2 PHE 108 2HE PHE 108 13.283 10.748 -13.328 818 HZ PHE 108 HZ PHE 108 13.479 8.308 -13.446 819 H GLU 109 H GLU 109 6.461 9.537 -9.126 820 HA GLU 109 HA GLU 109 5.507 12.254 -8.717 821 HB2 GLU 109 1HB GLU 109 4.175 9.555 -8.234 822 HB3 GLU 109 2HB GLU 109 3.456 11.085 -7.772 823 HG2 GLU 109 1HG GLU 109 3.109 11.762 -9.995 824 HG3 GLU 109 2HG GLU 109 4.423 10.782 -10.614 825 H CYS 110 H CYS 110 5.573 13.219 -6.687 826 HA CYS 110 HA CYS 110 6.770 11.565 -4.587 827 HB2 CYS 110 1HB CYS 110 8.066 13.588 -5.546 828 HB3 CYS 110 2HB CYS 110 6.911 14.582 -4.681 829 HG CYS 110 HG CYS 110 7.290 12.793 -2.469 830 H HIS 111 H HIS 111 5.195 10.944 -3.144 831 HA HIS 111 HA HIS 111 2.879 12.664 -2.843 832 HB2 HIS 111 1HB HIS 111 3.469 9.854 -1.875 833 HB3 HIS 111 2HB HIS 111 1.982 10.719 -1.540 834 HD1 HIS 111 1HD HIS 111 0.146 10.509 -3.247 835 HD2 HIS 111 2HD HIS 111 3.895 9.433 -4.789 836 HE1 HIS 111 1HE HIS 111 -0.283 9.582 -5.585 837 H VAL 112 H VAL 112 2.824 14.179 -1.268 838 HA VAL 112 HA VAL 112 4.712 13.893 0.935 839 HB VAL 112 HB VAL 112 3.051 16.192 -0.108 840 HG11 VAL 112 1HG1 VAL 112 4.542 15.856 2.451 841 HG12 VAL 112 2HG1 VAL 112 4.732 17.406 1.597 842 HG13 VAL 112 3HG1 VAL 112 3.112 16.846 2.076 843 HG21 VAL 112 1HG2 VAL 112 5.588 17.052 -0.252 844 HG22 VAL 112 2HG2 VAL 112 5.880 15.305 -0.422 845 HG23 VAL 112 3HG2 VAL 112 4.804 16.143 -1.566 846 H PHE 113 H PHE 113 4.065 13.878 3.125 847 HA PHE 113 HA PHE 113 1.212 13.882 3.650 848 HB2 PHE 113 1HB PHE 113 3.184 11.616 4.323 849 HB3 PHE 113 2HB PHE 113 1.529 11.675 4.896 850 HD1 PHE 113 2HD PHE 113 -0.344 11.540 3.207 851 HD2 PHE 113 1HD PHE 113 3.699 10.750 2.188 852 HE1 PHE 113 2HE PHE 113 -1.101 10.326 1.145 853 HE2 PHE 113 1HE PHE 113 2.942 9.536 0.126 854 HZ PHE 113 HZ PHE 113 0.551 9.338 -0.371 855 H TRP 114 H TRP 114 0.795 13.762 6.093 856 HA TRP 114 HA TRP 114 3.045 15.043 7.491 857 HB2 TRP 114 1HB TRP 114 1.252 16.621 7.010 858 HB3 TRP 114 2HB TRP 114 0.081 15.565 7.775 859 HD1 TRP 114 HD TRP 114 0.744 15.081 10.575 860 HE1 TRP 114 1HE TRP 114 1.479 16.804 12.433 861 HE3 TRP 114 3HE TRP 114 2.347 18.672 7.353 862 HZ2 TRP 114 2HZ TRP 114 2.622 19.417 12.349 863 HZ3 TRP 114 3HZ TRP 114 3.259 20.780 8.323 864 HH2 TRP 114 HH TRP 114 3.411 21.182 10.729 865 H CYS 115 H CYS 115 3.899 13.600 8.929 866 HA CYS 115 HA CYS 115 2.060 11.639 10.075 867 HB2 CYS 115 1HB CYS 115 5.063 11.443 10.238 868 HB3 CYS 115 2HB CYS 115 3.866 10.169 10.357 869 HG CYS 115 HG CYS 115 4.624 12.047 7.734 870 H GLU 116 H GLU 116 2.032 11.362 12.398 871 HA GLU 116 HA GLU 116 3.490 13.420 13.850 872 HB2 GLU 116 1HB GLU 116 0.524 12.821 13.932 873 HB3 GLU 116 2HB GLU 116 1.319 13.457 15.358 874 HG2 GLU 116 1HG GLU 116 2.271 15.058 13.213 875 HG3 GLU 116 2HG GLU 116 0.561 14.845 12.893 876 HA PRO 117 HA PRO 117 3.649 13.918 15.782 877 HB2 PRO 117 1HB PRO 117 5.816 13.893 17.446 878 HB3 PRO 117 2HB PRO 117 4.162 13.896 18.026 879 HG2 PRO 117 1HG PRO 117 6.095 11.661 17.949 880 HG3 PRO 117 2HG PRO 117 4.623 11.807 18.888 881 HD2 PRO 117 1HD PRO 117 4.993 10.247 16.510 882 HD3 PRO 117 2HD PRO 117 3.493 10.486 17.384 883 H ASN 118 H ASN 118 6.330 11.685 15.323 884 HA ASN 118 HA ASN 118 7.361 13.650 13.431 885 HB2 ASN 118 1HB ASN 118 9.576 12.316 13.797 886 HB3 ASN 118 2HB ASN 118 9.051 13.367 15.097 887 HD21 ASN 118 1HD2 ASN 118 10.451 11.975 16.367 888 HD22 ASN 118 2HD2 ASN 118 9.831 10.505 17.041 889 H ALA 119 H ALA 119 8.435 12.645 11.455 890 HA ALA 119 HA ALA 119 6.946 10.289 10.635 891 HB1 ALA 119 1HB ALA 119 7.992 10.918 8.390 892 HB2 ALA 119 2HB ALA 119 6.884 12.118 9.096 893 HB3 ALA 119 3HB ALA 119 8.643 12.361 9.203 894 H ALA 120 H ALA 120 8.895 9.853 12.696 895 HA ALA 120 HA ALA 120 11.221 8.784 11.335 896 HB1 ALA 120 1HB ALA 120 10.919 8.203 14.194 897 HB2 ALA 120 2HB ALA 120 12.219 9.068 13.339 898 HB3 ALA 120 3HB ALA 120 10.744 9.936 13.828 899 H ASN 121 H ASN 121 8.270 7.713 13.096 900 HA ASN 121 HA ASN 121 9.001 5.003 13.028 901 HB2 ASN 121 1HB ASN 121 7.257 6.194 14.554 902 HB3 ASN 121 2HB ASN 121 6.157 6.111 13.192 903 HD21 ASN 121 1HD2 ASN 121 5.315 4.911 15.349 904 HD22 ASN 121 2HD2 ASN 121 5.423 3.184 15.270 905 H VAL 122 H VAL 122 6.988 7.225 11.013 906 HA VAL 122 HA VAL 122 5.901 5.250 9.341 907 HB VAL 122 HB VAL 122 6.237 8.216 9.299 908 HG11 VAL 122 1HG1 VAL 122 5.587 6.501 6.903 909 HG12 VAL 122 2HG1 VAL 122 4.921 8.143 7.070 910 HG13 VAL 122 3HG1 VAL 122 6.683 7.898 7.024 911 HG21 VAL 122 1HG2 VAL 122 3.665 6.848 8.693 912 HG22 VAL 122 2HG2 VAL 122 4.324 6.626 10.331 913 HG23 VAL 122 3HG2 VAL 122 4.001 8.265 9.716 914 H SER 123 H SER 123 8.517 7.675 8.613 915 HA SER 123 HA SER 123 9.313 6.643 6.271 916 HB2 SER 123 1HB SER 123 10.329 8.665 6.927 917 HB3 SER 123 2HB SER 123 10.796 8.045 8.498 918 HG SER 123 HG SER 123 12.029 7.614 5.944 919 H GLU 124 H GLU 124 10.151 5.515 9.581 920 HA GLU 124 HA GLU 124 12.117 3.715 8.747 921 HB2 GLU 124 1HB GLU 124 10.504 4.153 11.252 922 HB3 GLU 124 2HB GLU 124 11.378 2.642 11.095 923 HG2 GLU 124 1HG GLU 124 12.955 5.061 10.353 924 HG3 GLU 124 2HG GLU 124 12.474 4.998 12.037 925 H ALA 125 H ALA 125 8.676 3.176 9.813 926 HA ALA 125 HA ALA 125 8.570 0.482 9.277 927 HB1 ALA 125 1HB ALA 125 6.689 2.728 9.662 928 HB2 ALA 125 2HB ALA 125 6.027 1.381 8.705 929 HB3 ALA 125 3HB ALA 125 6.660 1.083 10.341 930 H VAL 126 H VAL 126 8.420 3.291 7.087 931 HA VAL 126 HA VAL 126 7.522 1.724 4.864 932 HB VAL 126 HB VAL 126 8.629 4.524 5.128 933 HG11 VAL 126 1HG1 VAL 126 8.839 3.236 2.835 934 HG12 VAL 126 2HG1 VAL 126 7.100 3.596 2.718 935 HG13 VAL 126 3HG1 VAL 126 8.275 4.923 2.883 936 HG21 VAL 126 1HG2 VAL 126 6.418 4.011 6.226 937 HG22 VAL 126 2HG2 VAL 126 6.360 5.272 4.971 938 HG23 VAL 126 3HG2 VAL 126 5.778 3.630 4.609 939 H GLN 127 H GLN 127 10.640 3.186 5.984 940 HA GLN 127 HA GLN 127 12.121 2.376 3.809 941 HB2 GLN 127 1HB GLN 127 12.899 2.877 6.709 942 HB3 GLN 127 2HB GLN 127 14.083 2.560 5.458 943 HG2 GLN 127 1HG GLN 127 12.127 4.618 4.646 944 HG3 GLN 127 2HG GLN 127 12.991 5.064 6.105 945 HE21 GLN 127 1HE2 GLN 127 13.778 6.754 4.629 946 HE22 GLN 127 2HE2 GLN 127 15.199 6.456 3.684 947 H ALA 128 H ALA 128 11.689 0.774 7.045 948 HA ALA 128 HA ALA 128 13.258 -1.420 6.641 949 HB1 ALA 128 1HB ALA 128 11.064 -2.392 8.045 950 HB2 ALA 128 2HB ALA 128 12.460 -1.543 8.751 951 HB3 ALA 128 3HB ALA 128 10.986 -0.637 8.334 952 H ALA 129 H ALA 129 10.245 -0.533 5.064 953 HA ALA 129 HA ALA 129 9.537 -3.164 4.257 954 HB1 ALA 129 1HB ALA 129 8.310 -0.699 4.340 955 HB2 ALA 129 2HB ALA 129 8.635 -0.888 2.600 956 HB3 ALA 129 3HB ALA 129 7.686 -2.119 3.467 957 H CYS 130 H CYS 130 11.189 -0.354 2.664 958 HA CYS 130 HA CYS 130 11.638 -1.756 0.270 959 HB2 CYS 130 1HB CYS 130 11.598 0.729 0.474 960 HB3 CYS 130 2HB CYS 130 13.115 0.667 1.349 961 HG CYS 130 HG CYS 130 12.351 0.054 -1.766 962 H SER 131 H SER 131 13.962 -0.647 2.855 963 HA SER 131 HA SER 131 15.858 -1.444 3.549 964 HB2 SER 131 1HB SER 131 14.035 -3.543 3.743 965 HB3 SER 131 2HB SER 131 15.390 -4.298 2.928 966 HG SER 131 HG SER 131 15.146 -3.653 5.559 967 H GLY 132 H GLY 132 17.124 -0.496 1.825 968 HA2 GLY 132 1HA GLY 132 18.025 -2.465 -0.193 969 HA3 GLY 132 2HA GLY 132 17.762 -0.771 -0.555 970 HA PRO 133 HA PRO 133 22.047 -0.636 0.506 971 HB2 PRO 133 1HB PRO 133 22.625 1.687 -0.812 972 HB3 PRO 133 2HB PRO 133 22.685 0.111 -1.576 973 HG2 PRO 133 1HG PRO 133 20.644 2.231 -1.859 974 HG3 PRO 133 2HG PRO 133 20.954 0.859 -2.904 975 HD2 PRO 133 1HD PRO 133 18.818 1.123 -1.008 976 HD3 PRO 133 2HD PRO 133 19.197 -0.292 -1.970 977 H SER 134 H SER 134 19.804 2.031 0.808 978 HA SER 134 HA SER 134 21.416 3.409 2.635 979 HB2 SER 134 1HB SER 134 19.404 4.772 3.043 980 HB3 SER 134 2HB SER 134 19.622 4.496 1.326 981 HG SER 134 HG SER 134 17.568 3.638 3.037 982 H SER 135 H SER 135 21.782 2.986 4.786 983 HA SER 135 HA SER 135 19.693 1.757 6.311 984 HB2 SER 135 1HB SER 135 21.920 0.202 5.279 985 HB3 SER 135 2HB SER 135 22.022 0.267 7.027 986 HG SER 135 HG SER 135 19.510 -0.223 6.740 987 H GLY 136 H GLY 136 20.073 1.988 8.653 988 HA2 GLY 136 1HA GLY 136 21.571 2.635 10.416 989 HA3 GLY 136 2HA GLY 136 22.350 3.752 9.313 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -30.086 -7.759 -12.903 2 HA2 GLY 1 1HA GLY 1 -27.549 -7.144 -13.344 3 HA3 GLY 1 2HA GLY 1 -28.027 -5.759 -12.383 4 H SER 2 H SER 2 -26.057 -7.435 -11.387 5 HA SER 2 HA SER 2 -27.433 -8.467 -9.078 6 HB2 SER 2 1HB SER 2 -25.619 -10.147 -10.853 7 HB3 SER 2 2HB SER 2 -25.934 -10.566 -9.181 8 HG SER 2 HG SER 2 -27.576 -10.829 -11.428 9 H SER 3 H SER 3 -24.179 -8.316 -10.716 10 HA SER 3 HA SER 3 -22.251 -7.566 -10.065 11 HB2 SER 3 1HB SER 3 -23.812 -5.513 -9.501 12 HB3 SER 3 2HB SER 3 -23.497 -5.943 -7.832 13 HG SER 3 HG SER 3 -21.814 -4.743 -9.718 14 H GLY 4 H GLY 4 -20.547 -7.825 -8.383 15 HA2 GLY 4 1HA GLY 4 -20.928 -8.618 -5.777 16 HA3 GLY 4 2HA GLY 4 -21.053 -10.089 -6.721 17 H SER 5 H SER 5 -19.236 -10.399 -8.453 18 HA SER 5 HA SER 5 -17.135 -10.638 -8.943 19 HB2 SER 5 1HB SER 5 -17.293 -7.897 -8.115 20 HB3 SER 5 2HB SER 5 -15.797 -8.539 -7.465 21 HG SER 5 HG SER 5 -16.635 -8.326 -10.202 22 H SER 6 H SER 6 -14.839 -11.046 -7.898 23 HA SER 6 HA SER 6 -15.369 -12.188 -5.275 24 HB2 SER 6 1HB SER 6 -14.161 -13.239 -7.640 25 HB3 SER 6 2HB SER 6 -12.873 -13.083 -6.462 26 HG SER 6 HG SER 6 -14.005 -15.152 -6.346 27 H GLY 7 H GLY 7 -13.683 -12.001 -3.598 28 HA2 GLY 7 1HA GLY 7 -11.899 -9.681 -4.048 29 HA3 GLY 7 2HA GLY 7 -12.768 -9.971 -2.554 30 HA PRO 8 HA PRO 8 -9.172 -13.071 -2.995 31 HB2 PRO 8 1HB PRO 8 -7.056 -12.262 -4.524 32 HB3 PRO 8 2HB PRO 8 -8.299 -13.351 -5.108 33 HG2 PRO 8 1HG PRO 8 -7.901 -10.489 -5.733 34 HG3 PRO 8 2HG PRO 8 -8.844 -11.683 -6.604 35 HD2 PRO 8 1HD PRO 8 -9.851 -9.631 -4.871 36 HD3 PRO 8 2HD PRO 8 -10.781 -10.896 -5.649 37 H THR 9 H THR 9 -8.916 -12.689 -0.836 38 HA THR 9 HA THR 9 -7.449 -10.323 -0.085 39 HB THR 9 HB THR 9 -8.517 -12.713 1.510 40 HG1 THR 9 1HG THR 9 -10.084 -11.367 0.294 41 HG21 THR 9 1HG2 THR 9 -6.752 -11.150 2.633 42 HG22 THR 9 2HG2 THR 9 -7.979 -9.870 2.478 43 HG23 THR 9 3HG2 THR 9 -8.321 -11.316 3.457 44 HA PRO 10 HA PRO 10 -3.545 -12.121 -0.116 45 HB2 PRO 10 1HB PRO 10 -2.177 -10.267 1.354 46 HB3 PRO 10 2HB PRO 10 -2.537 -10.064 -0.349 47 HG2 PRO 10 1HG PRO 10 -3.803 -8.757 1.980 48 HG3 PRO 10 2HG PRO 10 -3.840 -8.274 0.296 49 HD2 PRO 10 1HD PRO 10 -5.944 -9.563 1.759 50 HD3 PRO 10 2HD PRO 10 -5.936 -9.185 0.047 51 H LYS 11 H LYS 11 -1.535 -12.282 1.662 52 HA LYS 11 HA LYS 11 -2.593 -14.249 3.408 53 HB2 LYS 11 1HB LYS 11 0.103 -13.099 2.803 54 HB3 LYS 11 2HB LYS 11 -0.100 -13.989 4.298 55 HG2 LYS 11 1HG LYS 11 -0.139 -15.977 3.201 56 HG3 LYS 11 2HG LYS 11 -1.405 -15.425 2.122 57 HD2 LYS 11 1HD LYS 11 1.314 -14.288 1.601 58 HD3 LYS 11 2HD LYS 11 1.149 -16.008 1.307 59 HE2 LYS 11 1HE LYS 11 -1.071 -15.285 0.022 60 HE3 LYS 11 2HE LYS 11 -0.300 -13.712 -0.034 61 HZ1 LYS 11 1HZ LYS 11 1.097 -14.434 -1.563 62 HZ2 LYS 11 2HZ LYS 11 1.489 -15.787 -0.737 63 HZ3 LYS 11 3HZ LYS 11 0.177 -15.776 -1.710 64 H THR 12 H THR 12 -1.745 -14.118 5.862 65 HA THR 12 HA THR 12 -2.900 -11.620 6.878 66 HB THR 12 HB THR 12 -3.297 -13.001 8.920 67 HG1 THR 12 1HG THR 12 -2.634 -15.332 8.583 68 HG21 THR 12 1HG2 THR 12 -5.165 -13.875 7.940 69 HG22 THR 12 2HG2 THR 12 -4.456 -13.549 6.340 70 HG23 THR 12 3HG2 THR 12 -4.170 -15.114 7.139 71 H GLU 13 H GLU 13 -0.887 -10.450 6.330 72 HA GLU 13 HA GLU 13 1.247 -11.130 8.185 73 HB2 GLU 13 1HB GLU 13 1.263 -10.375 5.456 74 HB3 GLU 13 2HB GLU 13 1.869 -8.972 6.312 75 HG2 GLU 13 1HG GLU 13 3.847 -10.183 6.032 76 HG3 GLU 13 2HG GLU 13 3.355 -10.741 7.619 77 H LEU 14 H LEU 14 2.406 -9.195 9.219 78 HA LEU 14 HA LEU 14 0.452 -7.605 10.526 79 HB2 LEU 14 1HB LEU 14 3.256 -8.287 10.810 80 HB3 LEU 14 2HB LEU 14 2.988 -6.578 11.092 81 HG LEU 14 HG LEU 14 2.897 -7.808 13.176 82 HD11 LEU 14 1HD1 LEU 14 0.998 -5.985 12.294 83 HD12 LEU 14 2HD1 LEU 14 0.038 -7.267 13.071 84 HD13 LEU 14 3HD1 LEU 14 1.330 -6.447 13.980 85 HD21 LEU 14 1HD2 LEU 14 2.189 -9.984 12.182 86 HD22 LEU 14 2HD2 LEU 14 1.305 -9.534 13.660 87 HD23 LEU 14 3HD2 LEU 14 0.533 -9.341 12.067 88 H VAL 15 H VAL 15 -0.100 -5.455 10.250 89 HA VAL 15 HA VAL 15 1.274 -4.073 8.055 90 HB VAL 15 HB VAL 15 -1.697 -4.232 8.596 91 HG11 VAL 15 1HG1 VAL 15 -0.893 -1.958 7.887 92 HG12 VAL 15 2HG1 VAL 15 -0.289 -2.701 6.386 93 HG13 VAL 15 3HG1 VAL 15 -2.031 -2.726 6.754 94 HG21 VAL 15 1HG2 VAL 15 -0.722 -4.911 5.916 95 HG22 VAL 15 2HG2 VAL 15 -0.091 -5.989 7.184 96 HG23 VAL 15 3HG2 VAL 15 -1.848 -5.784 6.983 97 H GLN 16 H GLN 16 1.293 -1.728 8.243 98 HA GLN 16 HA GLN 16 0.714 -0.875 10.973 99 HB2 GLN 16 1HB GLN 16 3.157 -0.413 9.254 100 HB3 GLN 16 2HB GLN 16 2.709 0.796 10.440 101 HG2 GLN 16 1HG GLN 16 3.073 -0.645 12.264 102 HG3 GLN 16 2HG GLN 16 2.792 -2.092 11.316 103 HE21 GLN 16 1HE2 GLN 16 5.029 0.511 12.028 104 HE22 GLN 16 2HE2 GLN 16 6.479 -0.252 11.467 105 H LYS 17 H LYS 17 -1.016 0.494 10.896 106 HA LYS 17 HA LYS 17 -1.263 2.197 8.526 107 HB2 LYS 17 1HB LYS 17 -3.216 0.951 10.423 108 HB3 LYS 17 2HB LYS 17 -3.642 2.480 9.681 109 HG2 LYS 17 1HG LYS 17 -3.629 1.591 7.499 110 HG3 LYS 17 2HG LYS 17 -2.528 0.293 7.917 111 HD2 LYS 17 1HD LYS 17 -4.865 -0.056 9.545 112 HD3 LYS 17 2HD LYS 17 -5.431 0.278 7.921 113 HE2 LYS 17 1HE LYS 17 -3.798 -1.505 7.078 114 HE3 LYS 17 2HE LYS 17 -3.471 -1.911 8.751 115 HZ1 LYS 17 1HZ LYS 17 -5.873 -2.349 7.209 116 HZ2 LYS 17 2HZ LYS 17 -5.175 -3.296 8.341 117 HZ3 LYS 17 3HZ LYS 17 -6.074 -2.010 8.794 118 H PHE 18 H PHE 18 -0.852 4.340 8.674 119 HA PHE 18 HA PHE 18 -0.827 5.475 11.381 120 HB2 PHE 18 1HB PHE 18 1.013 5.906 8.953 121 HB3 PHE 18 2HB PHE 18 1.084 6.909 10.388 122 HD1 PHE 18 2HD PHE 18 1.528 5.676 12.634 123 HD2 PHE 18 1HD PHE 18 2.318 3.987 8.822 124 HE1 PHE 18 2HE PHE 18 3.135 4.059 13.684 125 HE2 PHE 18 1HE PHE 18 3.925 2.369 9.872 126 HZ PHE 18 HZ PHE 18 4.314 2.425 12.291 127 H ARG 19 H ARG 19 -2.470 6.925 11.546 128 HA ARG 19 HA ARG 19 -3.748 7.940 9.305 129 HB2 ARG 19 1HB ARG 19 -4.478 7.712 11.867 130 HB3 ARG 19 2HB ARG 19 -3.863 9.348 11.988 131 HG2 ARG 19 1HG ARG 19 -5.445 9.310 9.621 132 HG3 ARG 19 2HG ARG 19 -6.365 8.408 10.809 133 HD2 ARG 19 1HD ARG 19 -5.455 10.583 12.302 134 HD3 ARG 19 2HD ARG 19 -5.726 11.304 10.728 135 HE ARG 19 HE ARG 19 -8.021 9.848 11.060 136 HH11 ARG 19 2HH2 ARG 19 -6.342 12.097 13.182 137 HH12 ARG 19 1HH2 ARG 19 -7.785 12.614 13.988 138 HH21 ARG 19 2HH1 ARG 19 -9.926 10.530 12.122 139 HH22 ARG 19 1HH1 ARG 19 -9.838 11.717 13.381 140 H VAL 20 H VAL 20 -2.570 9.226 7.872 141 HA VAL 20 HA VAL 20 -1.304 11.600 9.052 142 HB VAL 20 HB VAL 20 0.443 11.454 7.402 143 HG11 VAL 20 1HG1 VAL 20 -0.013 9.435 9.440 144 HG12 VAL 20 2HG1 VAL 20 1.008 8.804 8.126 145 HG13 VAL 20 3HG1 VAL 20 1.487 10.282 8.993 146 HG21 VAL 20 1HG2 VAL 20 0.568 9.957 5.656 147 HG22 VAL 20 2HG2 VAL 20 -0.435 8.739 6.480 148 HG23 VAL 20 3HG2 VAL 20 -1.194 10.180 5.764 149 H GLN 21 H GLN 21 -1.243 13.486 7.554 150 HA GLN 21 HA GLN 21 -3.724 13.546 6.104 151 HB2 GLN 21 1HB GLN 21 -1.777 15.603 7.139 152 HB3 GLN 21 2HB GLN 21 -2.861 16.063 5.841 153 HG2 GLN 21 1HG GLN 21 -4.826 15.477 7.176 154 HG3 GLN 21 2HG GLN 21 -3.829 14.760 8.426 155 HE21 GLN 21 1HE2 GLN 21 -5.283 17.574 7.221 156 HE22 GLN 21 2HE2 GLN 21 -4.642 18.736 8.335 157 H TYR 22 H TYR 22 -3.919 14.124 3.858 158 HA TYR 22 HA TYR 22 -1.524 13.439 2.336 159 HB2 TYR 22 1HB TYR 22 -4.038 12.498 2.194 160 HB3 TYR 22 2HB TYR 22 -4.370 13.996 1.347 161 HD1 TYR 22 1HD TYR 22 -1.197 13.595 0.320 162 HD2 TYR 22 2HD TYR 22 -4.940 11.556 -0.047 163 HE1 TYR 22 1HE TYR 22 -0.416 12.537 -1.856 164 HE2 TYR 22 2HE TYR 22 -4.146 10.504 -2.221 165 HH TYR 22 HH TYR 22 -1.828 11.602 -4.010 166 H LEU 23 H LEU 23 -0.243 15.236 2.040 167 HA LEU 23 HA LEU 23 -1.315 17.830 1.784 168 HB2 LEU 23 1HB LEU 23 1.350 16.534 1.533 169 HB3 LEU 23 2HB LEU 23 1.146 18.104 0.783 170 HG LEU 23 HG LEU 23 0.072 18.542 3.275 171 HD11 LEU 23 1HD1 LEU 23 1.913 16.248 3.458 172 HD12 LEU 23 2HD1 LEU 23 2.250 17.575 4.595 173 HD13 LEU 23 3HD1 LEU 23 0.645 16.805 4.576 174 HD21 LEU 23 1HD2 LEU 23 2.451 19.268 1.785 175 HD22 LEU 23 2HD2 LEU 23 1.452 20.240 2.891 176 HD23 LEU 23 3HD2 LEU 23 2.765 19.227 3.536 177 H GLY 24 H GLY 24 -0.079 15.395 -0.591 178 HA2 GLY 24 1HA GLY 24 -1.716 15.487 -2.590 179 HA3 GLY 24 2HA GLY 24 -1.068 17.105 -2.771 180 H MET 25 H MET 25 -0.759 15.227 -4.831 181 HA MET 25 HA MET 25 1.908 14.167 -4.513 182 HB2 MET 25 1HB MET 25 -0.101 12.915 -5.588 183 HB3 MET 25 2HB MET 25 0.046 14.017 -6.942 184 HG2 MET 25 1HG MET 25 2.451 12.426 -5.969 185 HG3 MET 25 2HG MET 25 1.290 11.710 -7.069 186 HE1 MET 25 1HE MET 25 0.583 12.428 -9.047 187 HE2 MET 25 2HE MET 25 0.728 14.119 -9.582 188 HE3 MET 25 3HE MET 25 1.781 12.869 -10.287 189 H LEU 26 H LEU 26 3.734 14.985 -5.530 190 HA LEU 26 HA LEU 26 3.302 17.094 -7.510 191 HB2 LEU 26 1HB LEU 26 3.651 18.035 -5.197 192 HB3 LEU 26 2HB LEU 26 5.259 17.338 -5.227 193 HG LEU 26 HG LEU 26 4.607 19.028 -7.563 194 HD11 LEU 26 1HD1 LEU 26 4.261 21.025 -6.581 195 HD12 LEU 26 2HD1 LEU 26 3.621 20.031 -5.251 196 HD13 LEU 26 3HD1 LEU 26 5.291 20.642 -5.180 197 HD21 LEU 26 1HD2 LEU 26 6.966 19.218 -5.691 198 HD22 LEU 26 2HD2 LEU 26 6.845 17.963 -6.947 199 HD23 LEU 26 3HD2 LEU 26 6.856 19.684 -7.405 200 HA PRO 27 HA PRO 27 6.271 14.606 -9.478 201 HB2 PRO 27 1HB PRO 27 6.455 16.013 -11.813 202 HB3 PRO 27 2HB PRO 27 5.209 14.819 -11.509 203 HG2 PRO 27 1HG PRO 27 4.990 17.767 -11.513 204 HG3 PRO 27 2HG PRO 27 3.714 16.572 -11.636 205 HD2 PRO 27 1HD PRO 27 4.404 18.113 -9.317 206 HD3 PRO 27 2HD PRO 27 3.207 16.837 -9.409 207 H VAL 28 H VAL 28 8.486 14.452 -9.925 208 HA VAL 28 HA VAL 28 9.885 16.984 -9.456 209 HB VAL 28 HB VAL 28 11.530 15.684 -8.098 210 HG11 VAL 28 1HG1 VAL 28 10.303 15.876 -6.053 211 HG12 VAL 28 2HG1 VAL 28 9.712 17.151 -7.145 212 HG13 VAL 28 3HG1 VAL 28 8.747 15.676 -6.894 213 HG21 VAL 28 1HG2 VAL 28 10.866 13.552 -7.119 214 HG22 VAL 28 2HG2 VAL 28 9.346 13.574 -8.045 215 HG23 VAL 28 3HG2 VAL 28 10.904 13.429 -8.894 216 H ASP 29 H ASP 29 12.232 16.832 -10.194 217 HA ASP 29 HA ASP 29 12.194 15.488 -12.729 218 HB2 ASP 29 1HB ASP 29 14.315 17.291 -11.469 219 HB3 ASP 29 2HB ASP 29 14.290 16.773 -13.143 220 H ARG 30 H ARG 30 14.051 15.610 -9.626 221 HA ARG 30 HA ARG 30 15.708 13.442 -10.548 222 HB2 ARG 30 1HB ARG 30 15.753 15.280 -8.124 223 HB3 ARG 30 2HB ARG 30 16.735 13.828 -8.147 224 HG2 ARG 30 1HG ARG 30 17.512 14.732 -10.527 225 HG3 ARG 30 2HG ARG 30 16.926 16.271 -9.927 226 HD2 ARG 30 1HD ARG 30 18.377 15.842 -7.821 227 HD3 ARG 30 2HD ARG 30 19.110 14.522 -8.712 228 HE ARG 30 HE ARG 30 20.304 16.082 -9.977 229 HH11 ARG 30 2HH2 ARG 30 17.556 17.695 -8.484 230 HH12 ARG 30 1HH2 ARG 30 18.034 19.274 -9.010 231 HH21 ARG 30 2HH1 ARG 30 20.935 18.165 -10.671 232 HH22 ARG 30 1HH1 ARG 30 19.970 19.543 -10.263 233 HA PRO 31 HA PRO 31 13.161 10.613 -8.370 234 HB2 PRO 31 1HB PRO 31 14.624 8.344 -8.790 235 HB3 PRO 31 2HB PRO 31 13.485 8.979 -9.960 236 HG2 PRO 31 1HG PRO 31 16.439 9.079 -10.006 237 HG3 PRO 31 2HG PRO 31 15.312 9.314 -11.327 238 HD2 PRO 31 1HD PRO 31 16.750 11.355 -9.914 239 HD3 PRO 31 2HD PRO 31 15.537 11.596 -11.156 240 H VAL 32 H VAL 32 16.203 11.623 -7.479 241 HA VAL 32 HA VAL 32 15.704 10.556 -4.810 242 HB VAL 32 HB VAL 32 17.958 9.802 -4.554 243 HG11 VAL 32 1HG1 VAL 32 17.858 7.824 -5.795 244 HG12 VAL 32 2HG1 VAL 32 16.162 8.361 -5.747 245 HG13 VAL 32 3HG1 VAL 32 17.139 8.629 -7.210 246 HG21 VAL 32 1HG2 VAL 32 18.856 9.962 -7.328 247 HG22 VAL 32 2HG2 VAL 32 18.572 11.569 -6.617 248 HG23 VAL 32 3HG2 VAL 32 19.689 10.432 -5.826 249 H GLY 33 H GLY 33 17.599 11.637 -3.321 250 HA2 GLY 33 1HA GLY 33 18.854 13.575 -2.905 251 HA3 GLY 33 2HA GLY 33 18.023 14.407 -4.204 252 H MET 34 H MET 34 18.393 15.068 -1.246 253 HA MET 34 HA MET 34 15.719 14.850 -0.237 254 HB2 MET 34 1HB MET 34 18.344 16.051 0.772 255 HB3 MET 34 2HB MET 34 16.850 16.285 1.658 256 HG2 MET 34 1HG MET 34 17.028 13.483 1.008 257 HG3 MET 34 2HG MET 34 18.585 13.969 1.648 258 HE1 MET 34 1HE MET 34 14.615 13.623 3.807 259 HE2 MET 34 2HE MET 34 14.668 14.792 2.466 260 HE3 MET 34 3HE MET 34 15.077 13.084 2.175 261 H ASP 35 H ASP 35 17.987 17.424 -1.380 262 HA ASP 35 HA ASP 35 16.655 19.636 -0.783 263 HB2 ASP 35 1HB ASP 35 18.393 18.759 -3.010 264 HB3 ASP 35 2HB ASP 35 17.346 20.089 -3.465 265 H THR 36 H THR 36 16.220 17.789 -3.907 266 HA THR 36 HA THR 36 14.007 19.197 -4.811 267 HB THR 36 HB THR 36 15.188 16.434 -5.276 268 HG1 THR 36 1HG THR 36 16.242 18.050 -6.431 269 HG21 THR 36 1HG2 THR 36 12.589 16.478 -5.645 270 HG22 THR 36 2HG2 THR 36 12.944 17.628 -6.956 271 HG23 THR 36 3HG2 THR 36 13.608 15.978 -7.016 272 H LEU 37 H LEU 37 14.219 16.397 -2.576 273 HA LEU 37 HA LEU 37 11.502 15.813 -2.534 274 HB2 LEU 37 1HB LEU 37 13.316 14.389 -1.669 275 HB3 LEU 37 2HB LEU 37 13.563 15.509 -0.345 276 HG LEU 37 HG LEU 37 10.900 14.972 -0.060 277 HD11 LEU 37 1HD1 LEU 37 10.257 13.134 -1.117 278 HD12 LEU 37 2HD1 LEU 37 11.879 12.955 -1.829 279 HD13 LEU 37 3HD1 LEU 37 11.508 12.202 -0.259 280 HD21 LEU 37 1HD2 LEU 37 11.522 13.630 1.837 281 HD22 LEU 37 2HD2 LEU 37 13.136 13.325 1.151 282 HD23 LEU 37 3HD2 LEU 37 12.684 14.967 1.670 283 H ASN 38 H ASN 38 13.422 17.792 -0.158 284 HA ASN 38 HA ASN 38 11.309 18.653 1.299 285 HB2 ASN 38 1HB ASN 38 13.943 20.011 0.561 286 HB3 ASN 38 2HB ASN 38 12.820 20.762 1.679 287 HD21 ASN 38 1HD2 ASN 38 15.075 18.201 1.123 288 HD22 ASN 38 2HD2 ASN 38 15.157 17.567 2.733 289 H SER 39 H SER 39 12.914 20.258 -1.555 290 HA SER 39 HA SER 39 11.502 22.508 -1.734 291 HB2 SER 39 1HB SER 39 13.009 20.819 -3.551 292 HB3 SER 39 2HB SER 39 11.642 21.503 -4.408 293 HG SER 39 HG SER 39 13.925 22.771 -3.347 294 H ALA 40 H ALA 40 10.495 19.244 -2.939 295 HA ALA 40 HA ALA 40 8.114 20.038 -4.134 296 HB1 ALA 40 1HB ALA 40 8.365 17.877 -4.706 297 HB2 ALA 40 2HB ALA 40 9.484 17.587 -3.353 298 HB3 ALA 40 3HB ALA 40 7.727 17.451 -3.100 299 H ILE 41 H ILE 41 8.637 18.580 -0.839 300 HA ILE 41 HA ILE 41 6.079 18.805 0.070 301 HB ILE 41 HB ILE 41 8.692 19.105 1.550 302 HG12 ILE 41 1HG1 ILE 41 6.895 16.685 1.232 303 HG13 ILE 41 2HG1 ILE 41 8.310 16.993 0.245 304 HG21 ILE 41 1HG2 ILE 41 6.021 19.533 2.495 305 HG22 ILE 41 2HG2 ILE 41 6.673 18.051 3.234 306 HG23 ILE 41 3HG2 ILE 41 7.558 19.587 3.391 307 HD11 ILE 41 1HD1 ILE 41 8.393 16.861 3.292 308 HD12 ILE 41 2HD1 ILE 41 8.735 15.474 2.229 309 HD13 ILE 41 3HD1 ILE 41 9.783 16.912 2.181 310 H GLU 42 H GLU 42 8.703 21.225 0.781 311 HA GLU 42 HA GLU 42 7.237 23.111 1.928 312 HB2 GLU 42 1HB GLU 42 9.654 23.134 0.185 313 HB3 GLU 42 2HB GLU 42 8.862 24.687 0.366 314 HG2 GLU 42 1HG GLU 42 8.859 24.217 2.920 315 HG3 GLU 42 2HG GLU 42 9.958 22.896 2.574 316 H ASN 43 H ASN 43 7.475 22.504 -1.622 317 HA ASN 43 HA ASN 43 6.172 24.690 -2.532 318 HB2 ASN 43 1HB ASN 43 7.181 22.552 -3.757 319 HB3 ASN 43 2HB ASN 43 5.541 21.940 -3.671 320 HD21 ASN 43 1HD2 ASN 43 7.068 22.597 -6.004 321 HD22 ASN 43 2HD2 ASN 43 6.228 23.834 -6.877 322 H LEU 44 H LEU 44 4.712 21.414 -1.826 323 HA LEU 44 HA LEU 44 2.079 22.119 -2.164 324 HB2 LEU 44 1HB LEU 44 3.544 19.995 -0.679 325 HB3 LEU 44 2HB LEU 44 1.840 20.206 -0.328 326 HG LEU 44 HG LEU 44 2.906 19.801 -3.131 327 HD11 LEU 44 1HD1 LEU 44 3.506 17.888 -1.668 328 HD12 LEU 44 2HD1 LEU 44 1.780 17.677 -1.287 329 HD13 LEU 44 3HD1 LEU 44 2.356 17.461 -2.958 330 HD21 LEU 44 1HD2 LEU 44 0.570 19.135 -3.609 331 HD22 LEU 44 2HD2 LEU 44 0.126 19.588 -1.946 332 HD23 LEU 44 3HD2 LEU 44 0.721 20.827 -3.077 333 H MET 45 H MET 45 3.939 21.993 0.958 334 HA MET 45 HA MET 45 2.076 22.834 2.646 335 HB2 MET 45 1HB MET 45 5.027 23.568 2.381 336 HB3 MET 45 2HB MET 45 4.095 24.161 3.742 337 HG2 MET 45 1HG MET 45 3.615 21.298 3.354 338 HG3 MET 45 2HG MET 45 5.333 21.613 3.493 339 HE1 MET 45 1HE MET 45 4.466 20.379 6.943 340 HE2 MET 45 2HE MET 45 2.914 20.296 6.076 341 HE3 MET 45 3HE MET 45 4.427 19.880 5.235 342 H THR 46 H THR 46 4.299 25.155 0.925 343 HA THR 46 HA THR 46 2.662 27.383 1.661 344 HB THR 46 HB THR 46 5.187 27.396 1.363 345 HG1 THR 46 1HG THR 46 3.817 29.334 1.159 346 HG21 THR 46 1HG2 THR 46 6.055 26.598 -0.596 347 HG22 THR 46 2HG2 THR 46 4.425 26.410 -1.286 348 HG23 THR 46 3HG2 THR 46 5.277 27.967 -1.426 349 H SER 47 H SER 47 0.726 25.965 0.716 350 HA SER 47 HA SER 47 -0.040 27.404 -1.583 351 HB2 SER 47 1HB SER 47 1.398 25.268 -2.330 352 HB3 SER 47 2HB SER 47 -0.115 24.428 -2.055 353 HG SER 47 HG SER 47 -0.511 26.769 -3.492 354 H SER 48 H SER 48 -0.660 24.268 0.167 355 HA SER 48 HA SER 48 -3.442 25.112 0.352 356 HB2 SER 48 1HB SER 48 -2.089 22.417 0.213 357 HB3 SER 48 2HB SER 48 -3.629 22.537 1.042 358 HG SER 48 HG SER 48 -4.660 22.813 -0.830 359 H SER 49 H SER 49 -4.579 24.591 2.447 360 HA SER 49 HA SER 49 -2.962 25.423 4.597 361 HB2 SER 49 1HB SER 49 -5.813 24.337 4.645 362 HB3 SER 49 2HB SER 49 -5.045 25.265 5.918 363 HG SER 49 HG SER 49 -6.481 26.276 3.992 364 H LYS 50 H LYS 50 -3.178 24.152 6.820 365 HA LYS 50 HA LYS 50 -2.035 21.580 6.349 366 HB2 LYS 50 1HB LYS 50 -0.998 22.612 8.111 367 HB3 LYS 50 2HB LYS 50 -2.461 23.390 8.680 368 HG2 LYS 50 1HG LYS 50 -3.142 21.545 9.914 369 HG3 LYS 50 2HG LYS 50 -2.441 20.394 8.794 370 HD2 LYS 50 1HD LYS 50 -0.172 20.895 9.624 371 HD3 LYS 50 2HD LYS 50 -0.792 22.171 10.653 372 HE2 LYS 50 1HE LYS 50 -1.778 19.302 10.918 373 HE3 LYS 50 2HE LYS 50 -0.334 19.850 11.746 374 HZ1 LYS 50 1HZ LYS 50 -2.942 20.219 12.524 375 HZ2 LYS 50 2HZ LYS 50 -1.602 20.804 13.249 376 HZ3 LYS 50 3HZ LYS 50 -2.385 21.704 12.135 377 H GLU 51 H GLU 51 -5.066 22.823 7.904 378 HA GLU 51 HA GLU 51 -6.043 20.265 8.432 379 HB2 GLU 51 1HB GLU 51 -7.446 22.956 8.154 380 HB3 GLU 51 2HB GLU 51 -8.257 21.503 8.702 381 HG2 GLU 51 1HG GLU 51 -5.713 21.983 10.129 382 HG3 GLU 51 2HG GLU 51 -6.846 23.307 10.317 383 H ASP 52 H ASP 52 -6.119 22.386 5.582 384 HA ASP 52 HA ASP 52 -8.254 21.421 4.245 385 HB2 ASP 52 1HB ASP 52 -5.641 22.634 3.541 386 HB3 ASP 52 2HB ASP 52 -6.317 21.666 2.246 387 H TRP 53 H TRP 53 -5.081 19.934 4.894 388 HA TRP 53 HA TRP 53 -5.210 17.933 2.904 389 HB2 TRP 53 1HB TRP 53 -3.694 17.849 5.514 390 HB3 TRP 53 2HB TRP 53 -3.361 16.935 4.056 391 HD1 TRP 53 HD TRP 53 -3.505 19.404 1.948 392 HE1 TRP 53 1HE TRP 53 -1.600 21.225 1.825 393 HE3 TRP 53 3HE TRP 53 -1.707 18.596 6.635 394 HZ2 TRP 53 2HZ TRP 53 0.401 22.104 3.661 395 HZ3 TRP 53 3HZ TRP 53 0.224 19.978 7.392 396 HH2 TRP 53 HH TRP 53 1.273 21.683 5.989 397 HA PRO 54 HA PRO 54 -8.203 15.478 4.933 398 HB2 PRO 54 1HB PRO 54 -8.241 13.383 3.178 399 HB3 PRO 54 2HB PRO 54 -9.159 14.856 2.933 400 HG2 PRO 54 1HG PRO 54 -6.679 13.972 1.588 401 HG3 PRO 54 2HG PRO 54 -7.826 15.196 1.081 402 HD2 PRO 54 1HD PRO 54 -5.254 15.643 2.270 403 HD3 PRO 54 2HD PRO 54 -6.450 16.860 1.869 404 H SER 55 H SER 55 -8.295 14.018 6.567 405 HA SER 55 HA SER 55 -5.769 12.990 7.294 406 HB2 SER 55 1HB SER 55 -8.059 11.815 8.713 407 HB3 SER 55 2HB SER 55 -6.731 12.771 9.342 408 HG SER 55 HG SER 55 -9.247 13.560 9.054 409 H VAL 56 H VAL 56 -4.934 11.336 6.032 410 HA VAL 56 HA VAL 56 -6.760 9.109 5.445 411 HB VAL 56 HB VAL 56 -5.440 8.654 3.515 412 HG11 VAL 56 1HG1 VAL 56 -5.626 11.641 3.335 413 HG12 VAL 56 2HG1 VAL 56 -6.144 10.392 2.178 414 HG13 VAL 56 3HG1 VAL 56 -7.107 10.703 3.642 415 HG21 VAL 56 1HG2 VAL 56 -3.254 9.366 4.685 416 HG22 VAL 56 2HG2 VAL 56 -3.402 9.665 2.937 417 HG23 VAL 56 3HG2 VAL 56 -3.629 11.002 4.090 418 H ASN 57 H ASN 57 -5.487 6.938 5.246 419 HA ASN 57 HA ASN 57 -3.685 6.869 7.535 420 HB2 ASN 57 1HB ASN 57 -5.672 4.854 6.402 421 HB3 ASN 57 2HB ASN 57 -4.370 4.318 7.445 422 HD21 ASN 57 1HD2 ASN 57 -7.450 4.785 7.558 423 HD22 ASN 57 2HD2 ASN 57 -7.708 5.495 9.116 424 H MET 58 H MET 58 -1.679 5.693 7.280 425 HA MET 58 HA MET 58 -1.086 5.052 4.503 426 HB2 MET 58 1HB MET 58 0.293 6.818 5.713 427 HB3 MET 58 2HB MET 58 0.791 5.600 6.870 428 HG2 MET 58 1HG MET 58 2.579 5.404 5.415 429 HG3 MET 58 2HG MET 58 1.497 4.283 4.614 430 HE1 MET 58 1HE MET 58 3.361 7.792 4.235 431 HE2 MET 58 2HE MET 58 2.033 8.706 3.481 432 HE3 MET 58 3HE MET 58 1.836 8.038 5.119 433 H ASN 59 H ASN 59 -1.356 2.893 4.089 434 HA ASN 59 HA ASN 59 -1.017 1.020 6.205 435 HB2 ASN 59 1HB ASN 59 -2.779 0.629 4.538 436 HB3 ASN 59 2HB ASN 59 -1.628 0.731 3.220 437 HD21 ASN 59 1HD2 ASN 59 -3.484 -1.366 4.616 438 HD22 ASN 59 2HD2 ASN 59 -2.530 -2.812 4.636 439 H VAL 60 H VAL 60 0.763 -0.431 6.443 440 HA VAL 60 HA VAL 60 2.819 -0.336 4.364 441 HB VAL 60 HB VAL 60 3.220 0.118 7.325 442 HG11 VAL 60 1HG1 VAL 60 4.905 -1.407 5.998 443 HG12 VAL 60 2HG1 VAL 60 5.473 0.146 5.339 444 HG13 VAL 60 3HG1 VAL 60 5.505 -0.141 7.095 445 HG21 VAL 60 1HG2 VAL 60 3.901 2.295 6.806 446 HG22 VAL 60 2HG2 VAL 60 4.147 1.914 5.085 447 HG23 VAL 60 3HG2 VAL 60 2.497 2.037 5.742 448 H ALA 61 H ALA 61 2.891 -2.396 3.625 449 HA ALA 61 HA ALA 61 3.572 -4.490 5.400 450 HB1 ALA 61 1HB ALA 61 1.500 -5.875 4.888 451 HB2 ALA 61 2HB ALA 61 1.249 -4.516 6.010 452 HB3 ALA 61 3HB ALA 61 0.735 -4.374 4.312 453 H ASP 62 H ASP 62 3.596 -6.658 4.084 454 HA ASP 62 HA ASP 62 4.659 -7.635 2.438 455 HB2 ASP 62 1HB ASP 62 2.119 -7.140 1.687 456 HB3 ASP 62 2HB ASP 62 2.911 -6.192 0.443 457 H ALA 63 H ALA 63 5.794 -5.001 3.168 458 HA ALA 63 HA ALA 63 7.202 -3.448 2.453 459 HB1 ALA 63 1HB ALA 63 8.944 -4.541 1.551 460 HB2 ALA 63 2HB ALA 63 7.867 -5.908 1.181 461 HB3 ALA 63 3HB ALA 63 8.113 -4.619 -0.021 462 H THR 64 H THR 64 4.702 -2.643 1.948 463 HA THR 64 HA THR 64 5.010 -1.231 -0.574 464 HB THR 64 HB THR 64 2.629 -3.031 0.115 465 HG1 THR 64 1HG THR 64 4.445 -4.110 -0.866 466 HG21 THR 64 1HG2 THR 64 1.603 -2.274 -1.927 467 HG22 THR 64 2HG2 THR 64 2.091 -0.781 -1.090 468 HG23 THR 64 3HG2 THR 64 3.076 -1.412 -2.432 469 H VAL 65 H VAL 65 3.696 0.692 -0.723 470 HA VAL 65 HA VAL 65 2.735 1.527 1.927 471 HB VAL 65 HB VAL 65 4.453 2.873 -0.115 472 HG11 VAL 65 1HG1 VAL 65 3.940 5.076 0.985 473 HG12 VAL 65 2HG1 VAL 65 2.620 4.420 -0.013 474 HG13 VAL 65 3HG1 VAL 65 2.541 4.297 1.761 475 HG21 VAL 65 1HG2 VAL 65 4.627 2.046 2.670 476 HG22 VAL 65 2HG2 VAL 65 5.917 2.515 1.536 477 HG23 VAL 65 3HG2 VAL 65 5.053 3.762 2.468 478 H THR 66 H THR 66 0.538 1.363 1.816 479 HA THR 66 HA THR 66 -0.727 2.511 -0.586 480 HB THR 66 HB THR 66 -1.671 0.240 1.242 481 HG1 THR 66 1HG THR 66 0.192 -0.084 -0.307 482 HG21 THR 66 1HG2 THR 66 -3.283 1.857 -0.309 483 HG22 THR 66 2HG2 THR 66 -2.768 0.647 -1.509 484 HG23 THR 66 3HG2 THR 66 -3.604 0.129 -0.025 485 H VAL 67 H VAL 67 -1.755 4.375 -0.276 486 HA VAL 67 HA VAL 67 -2.265 5.205 2.445 487 HB VAL 67 HB VAL 67 -2.654 6.598 -0.212 488 HG11 VAL 67 1HG1 VAL 67 -4.020 7.831 1.171 489 HG12 VAL 67 2HG1 VAL 67 -3.079 7.447 2.632 490 HG13 VAL 67 3HG1 VAL 67 -2.460 8.637 1.462 491 HG21 VAL 67 1HG2 VAL 67 -0.273 5.944 1.180 492 HG22 VAL 67 2HG2 VAL 67 -0.464 7.013 -0.231 493 HG23 VAL 67 3HG2 VAL 67 -0.543 7.688 1.414 494 H ILE 68 H ILE 68 -4.069 4.415 3.414 495 HA ILE 68 HA ILE 68 -6.439 4.070 1.731 496 HB ILE 68 HB ILE 68 -5.778 2.955 4.459 497 HG12 ILE 68 1HG1 ILE 68 -5.636 1.754 1.686 498 HG13 ILE 68 2HG1 ILE 68 -4.337 1.936 2.849 499 HG21 ILE 68 1HG2 ILE 68 -8.163 2.554 2.641 500 HG22 ILE 68 2HG2 ILE 68 -7.761 1.484 4.006 501 HG23 ILE 68 3HG2 ILE 68 -8.144 3.198 4.301 502 HD11 ILE 68 1HD1 ILE 68 -4.857 -0.261 3.310 503 HD12 ILE 68 2HD1 ILE 68 -6.067 0.494 4.375 504 HD13 ILE 68 3HD1 ILE 68 -6.541 -0.085 2.760 505 H SER 69 H SER 69 -8.544 4.783 2.603 506 HA SER 69 HA SER 69 -8.256 7.390 3.674 507 HB2 SER 69 1HB SER 69 -9.951 6.949 1.972 508 HB3 SER 69 2HB SER 69 -10.692 5.705 2.959 509 HG SER 69 HG SER 69 -11.356 7.299 4.477 510 H GLU 70 H GLU 70 -9.825 8.085 5.557 511 HA GLU 70 HA GLU 70 -9.185 6.363 7.745 512 HB2 GLU 70 1HB GLU 70 -8.847 8.565 8.382 513 HB3 GLU 70 2HB GLU 70 -10.159 9.174 7.393 514 HG2 GLU 70 1HG GLU 70 -11.824 8.227 8.986 515 HG3 GLU 70 2HG GLU 70 -10.529 7.562 9.963 516 H LYS 71 H LYS 71 -12.160 7.723 6.185 517 HA LYS 71 HA LYS 71 -13.808 6.026 7.856 518 HB2 LYS 71 1HB LYS 71 -14.221 8.374 6.078 519 HB3 LYS 71 2HB LYS 71 -15.544 7.228 6.166 520 HG2 LYS 71 1HG LYS 71 -14.185 8.280 8.680 521 HG3 LYS 71 2HG LYS 71 -15.497 9.155 7.916 522 HD2 LYS 71 1HD LYS 71 -16.942 7.840 9.067 523 HD3 LYS 71 2HD LYS 71 -16.446 6.504 8.048 524 HE2 LYS 71 1HE LYS 71 -15.413 5.485 9.792 525 HE3 LYS 71 2HE LYS 71 -14.425 6.901 10.089 526 HZ1 LYS 71 1HZ LYS 71 -16.915 7.553 10.987 527 HZ2 LYS 71 2HZ LYS 71 -16.692 6.016 11.491 528 HZ3 LYS 71 3HZ LYS 71 -15.618 7.174 11.903 529 H ASN 72 H ASN 72 -12.064 4.447 6.427 530 HA ASN 72 HA ASN 72 -13.683 2.646 5.267 531 HB2 ASN 72 1HB ASN 72 -13.110 4.851 3.418 532 HB3 ASN 72 2HB ASN 72 -12.454 3.353 2.787 533 HD21 ASN 72 1HD2 ASN 72 -14.954 5.240 2.462 534 HD22 ASN 72 2HD2 ASN 72 -16.264 4.134 2.221 535 H GLU 73 H GLU 73 -12.385 0.801 4.422 536 HA GLU 73 HA GLU 73 -9.535 1.217 4.887 537 HB2 GLU 73 1HB GLU 73 -9.388 -0.875 5.910 538 HB3 GLU 73 2HB GLU 73 -10.984 -0.362 6.420 539 HG2 GLU 73 1HG GLU 73 -12.040 -1.677 4.624 540 HG3 GLU 73 2HG GLU 73 -10.474 -2.087 3.952 541 H GLU 74 H GLU 74 -12.068 0.039 2.720 542 HA GLU 74 HA GLU 74 -10.111 -1.173 0.987 543 HB2 GLU 74 1HB GLU 74 -13.146 -0.983 0.915 544 HB3 GLU 74 2HB GLU 74 -12.227 -1.641 -0.424 545 HG2 GLU 74 1HG GLU 74 -11.282 -2.826 2.061 546 HG3 GLU 74 2HG GLU 74 -13.025 -2.981 1.974 547 H GLU 75 H GLU 75 -10.414 1.859 1.628 548 HA GLU 75 HA GLU 75 -10.849 2.728 -1.119 549 HB2 GLU 75 1HB GLU 75 -12.339 3.912 0.323 550 HB3 GLU 75 2HB GLU 75 -11.110 4.149 1.550 551 HG2 GLU 75 1HG GLU 75 -10.006 5.843 0.316 552 HG3 GLU 75 2HG GLU 75 -10.675 5.310 -1.213 553 H VAL 76 H VAL 76 -8.659 1.917 -1.678 554 HA VAL 76 HA VAL 76 -6.411 3.096 -0.363 555 HB VAL 76 HB VAL 76 -6.044 0.958 -1.173 556 HG11 VAL 76 1HG1 VAL 76 -6.466 0.540 -3.759 557 HG12 VAL 76 2HG1 VAL 76 -7.773 0.361 -2.564 558 HG13 VAL 76 3HG1 VAL 76 -7.654 1.847 -3.537 559 HG21 VAL 76 1HG2 VAL 76 -4.279 2.675 -1.819 560 HG22 VAL 76 2HG2 VAL 76 -4.255 1.143 -2.724 561 HG23 VAL 76 3HG2 VAL 76 -4.948 2.605 -3.467 562 H LEU 77 H LEU 77 -6.422 5.334 -0.505 563 HA LEU 77 HA LEU 77 -7.204 6.732 -2.795 564 HB2 LEU 77 1HB LEU 77 -5.466 7.503 -0.451 565 HB3 LEU 77 2HB LEU 77 -5.993 8.628 -1.686 566 HG LEU 77 HG LEU 77 -8.095 7.033 -0.287 567 HD11 LEU 77 1HD1 LEU 77 -7.830 9.337 1.270 568 HD12 LEU 77 2HD1 LEU 77 -7.488 7.660 1.756 569 HD13 LEU 77 3HD1 LEU 77 -6.179 8.688 1.124 570 HD21 LEU 77 1HD2 LEU 77 -9.386 9.089 -0.558 571 HD22 LEU 77 2HD2 LEU 77 -7.955 9.912 -1.223 572 HD23 LEU 77 3HD2 LEU 77 -8.692 8.555 -2.107 573 H VAL 78 H VAL 78 -4.014 5.519 -1.643 574 HA VAL 78 HA VAL 78 -3.064 5.749 -4.377 575 HB VAL 78 HB VAL 78 -1.964 7.236 -2.017 576 HG11 VAL 78 1HG1 VAL 78 -0.404 5.881 -4.165 577 HG12 VAL 78 2HG1 VAL 78 0.061 7.550 -3.754 578 HG13 VAL 78 3HG1 VAL 78 0.055 6.291 -2.495 579 HG21 VAL 78 1HG2 VAL 78 -1.528 8.666 -4.362 580 HG22 VAL 78 2HG2 VAL 78 -3.092 7.862 -4.639 581 HG23 VAL 78 3HG2 VAL 78 -2.866 8.902 -3.212 582 H GLU 79 H GLU 79 -1.503 4.173 -4.896 583 HA GLU 79 HA GLU 79 -0.826 2.406 -2.680 584 HB2 GLU 79 1HB GLU 79 -2.665 1.419 -4.047 585 HB3 GLU 79 2HB GLU 79 -1.669 1.545 -5.483 586 HG2 GLU 79 1HG GLU 79 -0.246 -0.188 -4.832 587 HG3 GLU 79 2HG GLU 79 -0.473 0.117 -3.121 588 H CYS 80 H CYS 80 1.361 2.408 -2.420 589 HA CYS 80 HA CYS 80 2.962 2.589 -4.867 590 HB2 CYS 80 1HB CYS 80 2.856 4.599 -3.045 591 HB3 CYS 80 2HB CYS 80 4.155 3.644 -2.358 592 HG CYS 80 HG CYS 80 4.845 3.352 -5.243 593 H ARG 81 H ARG 81 4.971 1.331 -4.791 594 HA ARG 81 HA ARG 81 4.951 -0.605 -2.616 595 HB2 ARG 81 1HB ARG 81 5.680 -1.089 -5.550 596 HB3 ARG 81 2HB ARG 81 5.808 -2.290 -4.281 597 HG2 ARG 81 1HG ARG 81 3.476 -2.511 -4.053 598 HG3 ARG 81 2HG ARG 81 3.154 -0.901 -4.666 599 HD2 ARG 81 1HD ARG 81 4.203 -1.872 -6.922 600 HD3 ARG 81 2HD ARG 81 3.799 -3.423 -6.213 601 HE ARG 81 HE ARG 81 1.557 -2.989 -6.676 602 HH11 ARG 81 2HH2 ARG 81 3.276 0.076 -6.514 603 HH12 ARG 81 1HH2 ARG 81 1.899 1.019 -6.976 604 HH21 ARG 81 2HH1 ARG 81 -0.261 -1.746 -7.285 605 HH22 ARG 81 1HH1 ARG 81 -0.127 -0.024 -7.417 606 H VAL 82 H VAL 82 6.993 -1.113 -1.695 607 HA VAL 82 HA VAL 82 9.010 0.799 -1.977 608 HB VAL 82 HB VAL 82 10.222 -0.529 -0.430 609 HG11 VAL 82 1HG1 VAL 82 7.770 -1.405 0.776 610 HG12 VAL 82 2HG1 VAL 82 8.771 0.012 1.173 611 HG13 VAL 82 3HG1 VAL 82 7.485 0.145 -0.051 612 HG21 VAL 82 1HG2 VAL 82 9.100 -2.888 0.123 613 HG22 VAL 82 2HG2 VAL 82 8.645 -2.784 -1.594 614 HG23 VAL 82 3HG2 VAL 82 10.359 -2.706 -1.121 615 H ARG 83 H ARG 83 8.115 -1.865 -3.965 616 HA ARG 83 HA ARG 83 10.766 -2.384 -4.863 617 HB2 ARG 83 1HB ARG 83 9.646 -3.916 -6.480 618 HB3 ARG 83 2HB ARG 83 9.063 -4.185 -4.850 619 HG2 ARG 83 1HG ARG 83 6.998 -4.026 -5.846 620 HG3 ARG 83 2HG ARG 83 7.257 -2.305 -5.641 621 HD2 ARG 83 1HD ARG 83 7.015 -2.112 -7.897 622 HD3 ARG 83 2HD ARG 83 8.594 -2.859 -8.046 623 HE ARG 83 HE ARG 83 6.444 -4.815 -7.708 624 HH11 ARG 83 2HH2 ARG 83 8.200 -2.856 -10.045 625 HH12 ARG 83 1HH2 ARG 83 7.827 -3.890 -11.384 626 HH21 ARG 83 2HH1 ARG 83 5.952 -6.179 -9.474 627 HH22 ARG 83 1HH1 ARG 83 6.540 -5.793 -11.056 628 H PHE 84 H PHE 84 8.292 -0.052 -5.476 629 HA PHE 84 HA PHE 84 9.426 0.528 -8.120 630 HB2 PHE 84 1HB PHE 84 6.734 0.744 -6.755 631 HB3 PHE 84 2HB PHE 84 7.123 2.036 -7.872 632 HD1 PHE 84 1HD PHE 84 8.681 0.426 -9.897 633 HD2 PHE 84 2HD PHE 84 5.010 -0.349 -7.914 634 HE1 PHE 84 1HE PHE 84 7.947 -1.014 -11.817 635 HE2 PHE 84 2HE PHE 84 4.276 -1.789 -9.835 636 HZ PHE 84 HZ PHE 84 5.754 -2.104 -11.764 637 H LEU 85 H LEU 85 9.239 1.536 -4.815 638 HA LEU 85 HA LEU 85 9.257 4.300 -5.090 639 HB2 LEU 85 1HB LEU 85 9.634 2.337 -3.044 640 HB3 LEU 85 2HB LEU 85 10.900 3.541 -2.904 641 HG LEU 85 HG LEU 85 8.090 4.509 -3.233 642 HD11 LEU 85 1HD1 LEU 85 7.922 4.391 -0.664 643 HD12 LEU 85 2HD1 LEU 85 7.582 2.920 -1.606 644 HD13 LEU 85 3HD1 LEU 85 9.151 3.109 -0.786 645 HD21 LEU 85 1HD2 LEU 85 9.748 5.721 -1.170 646 HD22 LEU 85 2HD2 LEU 85 10.556 5.698 -2.756 647 HD23 LEU 85 3HD2 LEU 85 8.954 6.455 -2.584 648 H SER 86 H SER 86 11.046 5.836 -4.974 649 HA SER 86 HA SER 86 13.445 4.695 -6.181 650 HB2 SER 86 1HB SER 86 11.723 6.910 -7.005 651 HB3 SER 86 2HB SER 86 13.368 7.466 -6.773 652 HG SER 86 HG SER 86 12.348 5.539 -8.622 653 H PHE 87 H PHE 87 12.007 7.017 -3.864 654 HA PHE 87 HA PHE 87 14.132 6.807 -2.087 655 HB2 PHE 87 1HB PHE 87 15.150 8.198 -4.036 656 HB3 PHE 87 2HB PHE 87 13.969 9.440 -3.669 657 HD1 PHE 87 1HD PHE 87 16.974 7.712 -2.453 658 HD2 PHE 87 2HD PHE 87 14.223 10.865 -1.748 659 HE1 PHE 87 1HE PHE 87 18.536 8.693 -0.751 660 HE2 PHE 87 2HE PHE 87 15.785 11.847 -0.046 661 HZ PHE 87 HZ PHE 87 17.922 10.749 0.433 662 H MET 88 H MET 88 13.990 8.747 -0.387 663 HA MET 88 HA MET 88 11.519 10.107 -0.346 664 HB2 MET 88 1HB MET 88 10.499 8.924 1.555 665 HB3 MET 88 2HB MET 88 10.838 7.741 0.307 666 HG2 MET 88 1HG MET 88 13.110 8.147 2.171 667 HG3 MET 88 2HG MET 88 11.662 7.565 2.968 668 HE1 MET 88 1HE MET 88 10.434 5.346 2.412 669 HE2 MET 88 2HE MET 88 10.171 5.943 0.756 670 HE3 MET 88 3HE MET 88 10.824 4.308 1.020 671 H GLY 89 H GLY 89 11.519 9.985 2.725 672 HA2 GLY 89 1HA GLY 89 13.484 10.497 4.245 673 HA3 GLY 89 2HA GLY 89 13.841 11.771 3.097 674 H VAL 90 H VAL 90 13.166 12.088 5.941 675 HA VAL 90 HA VAL 90 10.449 13.010 6.028 676 HB VAL 90 HB VAL 90 12.783 13.016 7.935 677 HG11 VAL 90 1HG1 VAL 90 11.645 15.045 8.463 678 HG12 VAL 90 2HG1 VAL 90 10.049 14.274 8.298 679 HG13 VAL 90 3HG1 VAL 90 11.114 13.833 9.654 680 HG21 VAL 90 1HG2 VAL 90 11.979 11.035 8.566 681 HG22 VAL 90 2HG2 VAL 90 10.393 11.764 8.917 682 HG23 VAL 90 3HG2 VAL 90 10.745 11.142 7.287 683 H GLY 91 H GLY 91 9.715 15.012 5.513 684 HA2 GLY 91 1HA GLY 91 11.286 16.882 4.196 685 HA3 GLY 91 2HA GLY 91 9.715 17.178 4.914 686 H LYS 92 H LYS 92 11.075 19.363 5.120 687 HA LYS 92 HA LYS 92 13.110 19.758 6.827 688 HB2 LYS 92 1HB LYS 92 10.615 21.417 6.397 689 HB3 LYS 92 2HB LYS 92 11.981 21.980 7.338 690 HG2 LYS 92 1HG LYS 92 12.354 20.913 4.513 691 HG3 LYS 92 2HG LYS 92 11.903 22.583 4.796 692 HD2 LYS 92 1HD LYS 92 14.081 21.968 6.578 693 HD3 LYS 92 2HD LYS 92 14.522 21.372 4.991 694 HE2 LYS 92 1HE LYS 92 13.325 23.929 4.557 695 HE3 LYS 92 2HE LYS 92 14.388 24.127 5.935 696 HZ1 LYS 92 1HZ LYS 92 16.027 24.182 4.487 697 HZ2 LYS 92 2HZ LYS 92 15.778 22.605 4.145 698 HZ3 LYS 92 3HZ LYS 92 15.065 23.760 3.237 699 H ASP 93 H ASP 93 9.663 20.072 7.943 700 HA ASP 93 HA ASP 93 10.417 19.898 10.615 701 HB2 ASP 93 1HB ASP 93 8.014 20.272 9.069 702 HB3 ASP 93 2HB ASP 93 7.690 19.000 10.230 703 H VAL 94 H VAL 94 9.429 18.079 12.119 704 HA VAL 94 HA VAL 94 10.258 15.539 11.012 705 HB VAL 94 HB VAL 94 10.094 14.772 13.315 706 HG11 VAL 94 1HG1 VAL 94 11.868 16.714 12.315 707 HG12 VAL 94 2HG1 VAL 94 11.477 17.231 13.972 708 HG13 VAL 94 3HG1 VAL 94 12.134 15.603 13.680 709 HG21 VAL 94 1HG2 VAL 94 9.691 16.934 14.937 710 HG22 VAL 94 2HG2 VAL 94 8.523 17.254 13.632 711 HG23 VAL 94 3HG2 VAL 94 8.450 15.722 14.535 712 H HIS 95 H HIS 95 7.388 17.386 11.270 713 HA HIS 95 HA HIS 95 5.732 14.996 11.418 714 HB2 HIS 95 1HB HIS 95 4.589 17.751 11.224 715 HB3 HIS 95 2HB HIS 95 3.980 16.343 12.070 716 HD1 HIS 95 1HD HIS 95 6.881 18.833 12.376 717 HD2 HIS 95 2HD HIS 95 4.460 16.378 14.765 718 HE1 HIS 95 1HE HIS 95 7.507 19.349 14.795 719 H THR 96 H THR 96 7.515 15.645 9.104 720 HA THR 96 HA THR 96 5.394 15.745 7.070 721 HB THR 96 HB THR 96 7.109 17.067 5.684 722 HG1 THR 96 1HG THR 96 8.628 18.144 7.406 723 HG21 THR 96 1HG2 THR 96 6.653 19.210 6.722 724 HG22 THR 96 2HG2 THR 96 5.221 18.201 7.041 725 HG23 THR 96 3HG2 THR 96 6.432 18.458 8.320 726 H PHE 97 H PHE 97 5.642 14.387 5.296 727 HA PHE 97 HA PHE 97 8.072 12.831 5.134 728 HB2 PHE 97 1HB PHE 97 6.610 11.626 6.784 729 HB3 PHE 97 2HB PHE 97 5.252 11.728 5.682 730 HD1 PHE 97 2HD PHE 97 8.798 10.543 5.496 731 HD2 PHE 97 1HD PHE 97 4.716 9.750 4.650 732 HE1 PHE 97 2HE PHE 97 9.433 8.325 4.507 733 HE2 PHE 97 1HE PHE 97 5.351 7.533 3.661 734 HZ PHE 97 HZ PHE 97 7.703 6.846 3.602 735 H ALA 98 H ALA 98 8.484 12.129 3.038 736 HA ALA 98 HA ALA 98 6.323 12.031 1.135 737 HB1 ALA 98 1HB ALA 98 7.102 13.762 -0.298 738 HB2 ALA 98 2HB ALA 98 7.089 14.478 1.331 739 HB3 ALA 98 3HB ALA 98 8.623 13.938 0.609 740 H PHE 99 H PHE 99 6.841 10.704 -0.641 741 HA PHE 99 HA PHE 99 9.598 9.734 -0.727 742 HB2 PHE 99 1HB PHE 99 8.708 7.422 -0.808 743 HB3 PHE 99 2HB PHE 99 8.068 8.201 0.625 744 HD1 PHE 99 1HD PHE 99 7.197 7.492 -2.926 745 HD2 PHE 99 2HD PHE 99 5.776 8.200 1.009 746 HE1 PHE 99 1HE PHE 99 4.863 6.947 -3.671 747 HE2 PHE 99 2HE PHE 99 3.442 7.655 0.264 748 HZ PHE 99 HZ PHE 99 3.013 7.035 -2.067 749 H ILE 100 H ILE 100 10.367 9.297 -2.798 750 HA ILE 100 HA ILE 100 8.619 10.167 -4.938 751 HB ILE 100 HB ILE 100 11.539 9.404 -5.004 752 HG12 ILE 100 1HG1 ILE 100 10.272 12.131 -4.605 753 HG13 ILE 100 2HG1 ILE 100 11.156 11.219 -3.397 754 HG21 ILE 100 1HG2 ILE 100 9.724 9.855 -7.084 755 HG22 ILE 100 2HG2 ILE 100 10.653 11.367 -6.940 756 HG23 ILE 100 3HG2 ILE 100 11.501 9.821 -7.185 757 HD11 ILE 100 1HD1 ILE 100 12.406 13.067 -4.808 758 HD12 ILE 100 2HD1 ILE 100 13.227 11.524 -4.470 759 HD13 ILE 100 3HD1 ILE 100 12.474 11.802 -6.058 760 H MET 101 H MET 101 7.673 8.849 -6.435 761 HA MET 101 HA MET 101 8.508 6.055 -6.348 762 HB2 MET 101 1HB MET 101 6.136 5.403 -6.553 763 HB3 MET 101 2HB MET 101 6.297 6.474 -5.175 764 HG2 MET 101 1HG MET 101 5.623 8.413 -6.683 765 HG3 MET 101 2HG MET 101 5.323 7.256 -7.964 766 HE1 MET 101 1HE MET 101 2.967 5.689 -8.010 767 HE2 MET 101 2HE MET 101 4.268 4.907 -7.081 768 HE3 MET 101 3HE MET 101 2.613 4.955 -6.428 769 H ASP 102 H ASP 102 7.749 4.816 -8.388 770 HA ASP 102 HA ASP 102 8.004 6.647 -10.643 771 HB2 ASP 102 1HB ASP 102 9.917 5.281 -10.743 772 HB3 ASP 102 2HB ASP 102 9.088 3.890 -10.073 773 H THR 103 H THR 103 6.185 6.701 -11.978 774 HA THR 103 HA THR 103 4.266 4.489 -11.701 775 HB THR 103 HB THR 103 2.582 6.160 -12.278 776 HG1 THR 103 1HG THR 103 3.282 8.056 -13.290 777 HG21 THR 103 1HG2 THR 103 2.701 7.085 -10.194 778 HG22 THR 103 2HG2 THR 103 4.415 6.618 -10.078 779 HG23 THR 103 3HG2 THR 103 3.966 8.191 -10.780 780 H GLY 104 H GLY 104 6.635 5.868 -13.779 781 HA2 GLY 104 1HA GLY 104 6.794 4.068 -15.676 782 HA3 GLY 104 2HA GLY 104 5.325 4.867 -16.199 783 H ASN 105 H ASN 105 8.021 4.751 -17.509 784 HA ASN 105 HA ASN 105 9.281 6.057 -18.696 785 HB2 ASN 105 1HB ASN 105 7.710 8.519 -17.815 786 HB3 ASN 105 2HB ASN 105 8.544 8.267 -19.335 787 HD21 ASN 105 1HD2 ASN 105 7.316 7.855 -20.993 788 HD22 ASN 105 2HD2 ASN 105 5.769 7.074 -20.994 789 H GLN 106 H GLN 106 10.001 8.918 -18.162 790 HA GLN 106 HA GLN 106 11.714 8.407 -15.906 791 HB2 GLN 106 1HB GLN 106 11.643 10.716 -17.899 792 HB3 GLN 106 2HB GLN 106 12.857 10.515 -16.652 793 HG2 GLN 106 1HG GLN 106 13.853 8.679 -17.708 794 HG3 GLN 106 2HG GLN 106 12.366 8.181 -18.491 795 HE21 GLN 106 1HE2 GLN 106 13.757 7.985 -20.362 796 HE22 GLN 106 2HE2 GLN 106 14.067 9.362 -21.367 797 H ARG 107 H ARG 107 8.663 9.088 -15.841 798 HA ARG 107 HA ARG 107 8.746 11.606 -14.472 799 HB2 ARG 107 1HB ARG 107 6.628 9.772 -15.545 800 HB3 ARG 107 2HB ARG 107 6.168 10.714 -14.140 801 HG2 ARG 107 1HG ARG 107 5.610 11.947 -16.201 802 HG3 ARG 107 2HG ARG 107 6.842 12.811 -15.302 803 HD2 ARG 107 1HD ARG 107 8.608 11.757 -16.774 804 HD3 ARG 107 2HD ARG 107 7.339 10.984 -17.704 805 HE ARG 107 HE ARG 107 6.793 13.060 -18.685 806 HH11 ARG 107 2HH2 ARG 107 9.026 13.537 -16.007 807 HH12 ARG 107 1HH2 ARG 107 9.339 15.195 -16.396 808 HH21 ARG 107 2HH1 ARG 107 7.205 15.248 -19.199 809 HH22 ARG 107 1HH1 ARG 107 8.296 16.175 -18.224 810 H PHE 108 H PHE 108 8.336 11.885 -12.212 811 HA PHE 108 HA PHE 108 8.021 9.421 -10.670 812 HB2 PHE 108 1HB PHE 108 9.946 11.752 -10.097 813 HB3 PHE 108 2HB PHE 108 9.815 10.286 -9.146 814 HD1 PHE 108 1HD PHE 108 10.072 8.065 -10.735 815 HD2 PHE 108 2HD PHE 108 11.798 11.876 -11.448 816 HE1 PHE 108 1HE PHE 108 11.856 6.995 -12.139 817 HE2 PHE 108 2HE PHE 108 13.581 10.806 -12.852 818 HZ PHE 108 HZ PHE 108 13.589 8.378 -13.181 819 H GLU 109 H GLU 109 6.677 9.614 -8.883 820 HA GLU 109 HA GLU 109 5.594 12.292 -8.500 821 HB2 GLU 109 1HB GLU 109 4.337 9.568 -7.948 822 HB3 GLU 109 2HB GLU 109 3.575 11.102 -7.580 823 HG2 GLU 109 1HG GLU 109 3.747 11.735 -10.019 824 HG3 GLU 109 2HG GLU 109 4.423 10.155 -10.359 825 H CYS 110 H CYS 110 5.444 13.174 -6.394 826 HA CYS 110 HA CYS 110 6.768 11.560 -4.335 827 HB2 CYS 110 1HB CYS 110 8.098 13.542 -5.252 828 HB3 CYS 110 2HB CYS 110 6.904 14.581 -4.500 829 HG CYS 110 HG CYS 110 7.444 12.399 -2.397 830 H HIS 111 H HIS 111 5.054 10.847 -3.076 831 HA HIS 111 HA HIS 111 2.773 12.566 -2.726 832 HB2 HIS 111 1HB HIS 111 3.413 9.780 -1.722 833 HB3 HIS 111 2HB HIS 111 1.908 10.618 -1.400 834 HD1 HIS 111 1HD HIS 111 0.147 10.691 -3.269 835 HD2 HIS 111 2HD HIS 111 3.794 9.003 -4.472 836 HE1 HIS 111 1HE HIS 111 -0.271 9.642 -5.557 837 H VAL 112 H VAL 112 2.862 14.201 -1.270 838 HA VAL 112 HA VAL 112 4.664 13.937 0.988 839 HB VAL 112 HB VAL 112 2.967 16.217 -0.046 840 HG11 VAL 112 1HG1 VAL 112 3.212 17.070 2.018 841 HG12 VAL 112 2HG1 VAL 112 4.439 15.862 2.471 842 HG13 VAL 112 3HG1 VAL 112 4.916 17.320 1.567 843 HG21 VAL 112 1HG2 VAL 112 5.954 15.690 -0.219 844 HG22 VAL 112 2HG2 VAL 112 4.786 15.637 -1.562 845 HG23 VAL 112 3HG2 VAL 112 5.136 17.180 -0.747 846 H PHE 113 H PHE 113 4.010 13.926 3.167 847 HA PHE 113 HA PHE 113 1.156 13.959 3.688 848 HB2 PHE 113 1HB PHE 113 3.104 11.681 4.394 849 HB3 PHE 113 2HB PHE 113 1.440 11.757 4.941 850 HD1 PHE 113 1HD PHE 113 -0.408 11.613 3.230 851 HD2 PHE 113 2HD PHE 113 3.645 10.807 2.267 852 HE1 PHE 113 1HE PHE 113 -1.142 10.389 1.165 853 HE2 PHE 113 2HE PHE 113 2.911 9.583 0.202 854 HZ PHE 113 HZ PHE 113 0.526 9.389 -0.324 855 H TRP 114 H TRP 114 0.762 13.785 6.158 856 HA TRP 114 HA TRP 114 3.020 15.058 7.549 857 HB2 TRP 114 1HB TRP 114 1.228 16.658 7.004 858 HB3 TRP 114 2HB TRP 114 0.075 15.661 7.869 859 HD1 TRP 114 HD TRP 114 1.104 15.196 10.645 860 HE1 TRP 114 1HE TRP 114 1.860 17.025 12.390 861 HE3 TRP 114 3HE TRP 114 2.029 18.837 7.219 862 HZ2 TRP 114 2HZ TRP 114 2.740 19.728 12.148 863 HZ3 TRP 114 3HZ TRP 114 2.834 21.043 8.057 864 HH2 TRP 114 HH TRP 114 3.192 21.517 10.428 865 H CYS 115 H CYS 115 3.799 13.672 9.078 866 HA CYS 115 HA CYS 115 1.874 11.794 10.238 867 HB2 CYS 115 1HB CYS 115 4.863 11.391 10.301 868 HB3 CYS 115 2HB CYS 115 3.587 10.205 10.495 869 HG CYS 115 HG CYS 115 4.483 11.924 7.814 870 H GLU 116 H GLU 116 1.978 11.487 12.578 871 HA GLU 116 HA GLU 116 3.610 13.456 13.954 872 HB2 GLU 116 1HB GLU 116 0.624 13.018 14.389 873 HB3 GLU 116 2HB GLU 116 1.643 13.947 15.471 874 HG2 GLU 116 1HG GLU 116 1.985 15.672 13.901 875 HG3 GLU 116 2HG GLU 116 1.674 14.630 12.527 876 HA PRO 117 HA PRO 117 3.543 14.000 16.012 877 HB2 PRO 117 1HB PRO 117 5.566 13.952 17.848 878 HB3 PRO 117 2HB PRO 117 3.870 13.941 18.290 879 HG2 PRO 117 1HG PRO 117 5.811 11.711 18.334 880 HG3 PRO 117 2HG PRO 117 4.266 11.839 19.152 881 HD2 PRO 117 1HD PRO 117 4.836 10.320 16.786 882 HD3 PRO 117 2HD PRO 117 3.268 10.541 17.538 883 H ASN 118 H ASN 118 5.519 11.628 14.765 884 HA ASN 118 HA ASN 118 6.883 13.647 13.269 885 HB2 ASN 118 1HB ASN 118 9.131 12.324 13.769 886 HB3 ASN 118 2HB ASN 118 8.594 13.557 14.893 887 HD21 ASN 118 1HD2 ASN 118 9.910 12.414 16.425 888 HD22 ASN 118 2HD2 ASN 118 9.288 11.042 17.279 889 H ALA 119 H ALA 119 7.960 12.643 11.330 890 HA ALA 119 HA ALA 119 6.650 10.155 10.620 891 HB1 ALA 119 1HB ALA 119 7.453 10.726 8.351 892 HB2 ALA 119 2HB ALA 119 6.566 12.082 9.087 893 HB3 ALA 119 3HB ALA 119 8.344 12.115 9.018 894 H ALA 120 H ALA 120 8.521 9.803 12.692 895 HA ALA 120 HA ALA 120 10.967 8.899 11.412 896 HB1 ALA 120 1HB ALA 120 11.887 9.263 13.441 897 HB2 ALA 120 2HB ALA 120 10.348 10.044 13.877 898 HB3 ALA 120 3HB ALA 120 10.618 8.329 14.269 899 H ASN 121 H ASN 121 8.028 7.663 13.076 900 HA ASN 121 HA ASN 121 8.948 4.997 13.023 901 HB2 ASN 121 1HB ASN 121 6.361 6.417 13.674 902 HB3 ASN 121 2HB ASN 121 6.271 4.697 13.351 903 HD21 ASN 121 1HD2 ASN 121 5.510 5.210 15.720 904 HD22 ASN 121 2HD2 ASN 121 6.688 4.908 16.953 905 H VAL 122 H VAL 122 6.781 7.107 11.050 906 HA VAL 122 HA VAL 122 5.786 5.087 9.378 907 HB VAL 122 HB VAL 122 6.039 8.077 9.225 908 HG11 VAL 122 1HG1 VAL 122 5.926 8.009 6.990 909 HG12 VAL 122 2HG1 VAL 122 5.653 6.250 6.981 910 HG13 VAL 122 3HG1 VAL 122 4.279 7.363 7.187 911 HG21 VAL 122 1HG2 VAL 122 3.986 6.098 9.993 912 HG22 VAL 122 2HG2 VAL 122 4.214 7.784 10.517 913 HG23 VAL 122 3HG2 VAL 122 3.393 7.434 8.977 914 H SER 123 H SER 123 8.254 7.652 8.614 915 HA SER 123 HA SER 123 9.079 6.650 6.267 916 HB2 SER 123 1HB SER 123 9.936 8.758 6.969 917 HB3 SER 123 2HB SER 123 10.572 8.108 8.466 918 HG SER 123 HG SER 123 12.394 7.560 7.477 919 H GLU 124 H GLU 124 9.966 5.570 9.571 920 HA GLU 124 HA GLU 124 12.069 3.922 8.772 921 HB2 GLU 124 1HB GLU 124 10.371 4.239 11.230 922 HB3 GLU 124 2HB GLU 124 11.298 2.759 11.085 923 HG2 GLU 124 1HG GLU 124 12.785 5.274 10.438 924 HG3 GLU 124 2HG GLU 124 12.303 5.095 12.114 925 H ALA 125 H ALA 125 8.620 3.163 9.651 926 HA ALA 125 HA ALA 125 8.720 0.462 9.112 927 HB1 ALA 125 1HB ALA 125 6.854 2.251 10.000 928 HB2 ALA 125 2HB ALA 125 6.221 1.887 8.377 929 HB3 ALA 125 3HB ALA 125 6.487 0.570 9.545 930 H VAL 126 H VAL 126 8.416 3.276 6.928 931 HA VAL 126 HA VAL 126 7.728 1.699 4.660 932 HB VAL 126 HB VAL 126 8.766 4.523 4.968 933 HG11 VAL 126 1HG1 VAL 126 8.464 4.913 2.720 934 HG12 VAL 126 2HG1 VAL 126 9.025 3.224 2.677 935 HG13 VAL 126 3HG1 VAL 126 7.289 3.589 2.532 936 HG21 VAL 126 1HG2 VAL 126 5.939 3.611 4.367 937 HG22 VAL 126 2HG2 VAL 126 6.530 3.929 6.016 938 HG23 VAL 126 3HG2 VAL 126 6.502 5.240 4.813 939 H GLN 127 H GLN 127 10.753 3.300 5.862 940 HA GLN 127 HA GLN 127 12.331 2.475 3.759 941 HB2 GLN 127 1HB GLN 127 13.003 3.122 6.657 942 HB3 GLN 127 2HB GLN 127 14.234 2.815 5.449 943 HG2 GLN 127 1HG GLN 127 12.302 4.714 4.387 944 HG3 GLN 127 2HG GLN 127 12.855 5.270 5.954 945 HE21 GLN 127 1HE2 GLN 127 14.122 3.765 2.984 946 HE22 GLN 127 2HE2 GLN 127 15.572 4.705 2.862 947 H ALA 128 H ALA 128 11.867 0.985 7.043 948 HA ALA 128 HA ALA 128 13.539 -1.133 6.840 949 HB1 ALA 128 1HB ALA 128 11.022 -0.489 8.255 950 HB2 ALA 128 2HB ALA 128 11.353 -2.231 8.098 951 HB3 ALA 128 3HB ALA 128 12.545 -1.165 8.880 952 H ALA 129 H ALA 129 10.558 -0.520 5.042 953 HA ALA 129 HA ALA 129 10.267 -3.241 4.189 954 HB1 ALA 129 1HB ALA 129 8.803 -0.731 4.066 955 HB2 ALA 129 2HB ALA 129 8.848 -1.513 2.468 956 HB3 ALA 129 3HB ALA 129 8.206 -2.397 3.874 957 H CYS 130 H CYS 130 11.538 -0.142 2.828 958 HA CYS 130 HA CYS 130 12.102 -1.178 0.303 959 HB2 CYS 130 1HB CYS 130 11.969 1.234 0.796 960 HB3 CYS 130 2HB CYS 130 13.425 1.131 1.765 961 HG CYS 130 HG CYS 130 13.594 2.146 -0.833 962 H SER 131 H SER 131 14.222 -0.584 3.207 963 HA SER 131 HA SER 131 16.213 -2.285 1.990 964 HB2 SER 131 1HB SER 131 16.203 -0.382 4.352 965 HB3 SER 131 2HB SER 131 17.504 -1.538 4.151 966 HG SER 131 HG SER 131 18.316 -0.396 2.516 967 H GLY 132 H GLY 132 14.902 -4.281 2.241 968 HA2 GLY 132 1HA GLY 132 13.918 -5.197 4.697 969 HA3 GLY 132 2HA GLY 132 14.319 -6.175 3.299 970 HA PRO 133 HA PRO 133 17.323 -7.324 6.465 971 HB2 PRO 133 1HB PRO 133 17.051 -10.032 6.228 972 HB3 PRO 133 2HB PRO 133 16.155 -9.078 7.392 973 HG2 PRO 133 1HG PRO 133 15.210 -10.281 4.863 974 HG3 PRO 133 2HG PRO 133 14.268 -9.703 6.223 975 HD2 PRO 133 1HD PRO 133 14.651 -8.371 3.712 976 HD3 PRO 133 2HD PRO 133 13.807 -7.743 5.114 977 H SER 134 H SER 134 19.270 -6.742 5.721 978 HA SER 134 HA SER 134 20.141 -8.351 3.448 979 HB2 SER 134 1HB SER 134 21.571 -6.444 2.791 980 HB3 SER 134 2HB SER 134 19.885 -5.973 2.854 981 HG SER 134 HG SER 134 20.262 -5.015 4.945 982 H SER 135 H SER 135 21.749 -9.786 3.963 983 HA SER 135 HA SER 135 23.491 -10.680 4.902 984 HB2 SER 135 1HB SER 135 24.146 -7.921 4.872 985 HB3 SER 135 2HB SER 135 24.581 -8.472 6.478 986 HG SER 135 HG SER 135 25.673 -9.181 3.962 987 H GLY 136 H GLY 136 24.545 -11.145 7.196 988 HA2 GLY 136 1HA GLY 136 22.939 -10.404 9.472 989 HA3 GLY 136 2HA GLY 136 22.685 -12.056 8.945 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -14.606 -14.696 -16.464 2 HA2 GLY 1 1HA GLY 1 -14.497 -17.461 -17.334 3 HA3 GLY 1 2HA GLY 1 -13.021 -16.548 -17.576 4 H SER 2 H SER 2 -14.178 -18.754 -15.563 5 HA SER 2 HA SER 2 -12.613 -17.754 -13.392 6 HB2 SER 2 1HB SER 2 -15.535 -17.663 -13.319 7 HB3 SER 2 2HB SER 2 -14.922 -18.718 -12.061 8 HG SER 2 HG SER 2 -14.499 -15.915 -12.443 9 H SER 3 H SER 3 -11.232 -19.497 -13.250 10 HA SER 3 HA SER 3 -12.271 -21.959 -12.405 11 HB2 SER 3 1HB SER 3 -12.342 -21.722 -15.157 12 HB3 SER 3 2HB SER 3 -10.763 -22.445 -14.922 13 HG SER 3 HG SER 3 -12.055 -23.980 -13.403 14 H GLY 4 H GLY 4 -10.463 -23.516 -11.894 15 HA2 GLY 4 1HA GLY 4 -8.274 -24.045 -11.483 16 HA3 GLY 4 2HA GLY 4 -7.754 -22.523 -12.181 17 H SER 5 H SER 5 -9.771 -23.668 -9.371 18 HA SER 5 HA SER 5 -9.406 -21.416 -7.855 19 HB2 SER 5 1HB SER 5 -11.076 -23.188 -7.378 20 HB3 SER 5 2HB SER 5 -9.795 -24.301 -6.942 21 HG SER 5 HG SER 5 -11.053 -22.545 -5.345 22 H SER 6 H SER 6 -7.689 -20.598 -6.687 23 HA SER 6 HA SER 6 -5.758 -22.353 -5.587 24 HB2 SER 6 1HB SER 6 -3.798 -21.387 -6.796 25 HB3 SER 6 2HB SER 6 -4.855 -22.299 -7.854 26 HG SER 6 HG SER 6 -5.771 -19.764 -7.874 27 H GLY 7 H GLY 7 -5.616 -21.427 -3.576 28 HA2 GLY 7 1HA GLY 7 -5.293 -18.491 -3.458 29 HA3 GLY 7 2HA GLY 7 -6.387 -19.346 -2.389 30 HA PRO 8 HA PRO 8 -1.831 -19.887 -1.144 31 HB2 PRO 8 1HB PRO 8 -0.605 -17.459 -0.875 32 HB3 PRO 8 2HB PRO 8 -0.383 -18.495 -2.271 33 HG2 PRO 8 1HG PRO 8 -1.981 -16.019 -2.035 34 HG3 PRO 8 2HG PRO 8 -1.405 -16.820 -3.483 35 HD2 PRO 8 1HD PRO 8 -4.076 -16.872 -2.440 36 HD3 PRO 8 2HD PRO 8 -3.474 -17.765 -3.821 37 H THR 9 H THR 9 -0.611 -19.139 0.947 38 HA THR 9 HA THR 9 -2.579 -19.206 2.955 39 HB THR 9 HB THR 9 -0.511 -18.813 4.414 40 HG1 THR 9 1HG THR 9 1.088 -17.820 3.253 41 HG21 THR 9 1HG2 THR 9 -0.593 -21.117 4.037 42 HG22 THR 9 2HG2 THR 9 -0.695 -20.922 2.271 43 HG23 THR 9 3HG2 THR 9 0.872 -20.745 3.096 44 HA PRO 10 HA PRO 10 -3.488 -15.072 3.640 45 HB2 PRO 10 1HB PRO 10 -4.036 -15.020 6.317 46 HB3 PRO 10 2HB PRO 10 -5.174 -15.600 5.118 47 HG2 PRO 10 1HG PRO 10 -3.532 -17.157 7.021 48 HG3 PRO 10 2HG PRO 10 -4.955 -17.661 6.131 49 HD2 PRO 10 1HD PRO 10 -2.231 -18.334 5.536 50 HD3 PRO 10 2HD PRO 10 -3.643 -18.740 4.582 51 H LYS 11 H LYS 11 -0.819 -16.465 5.204 52 HA LYS 11 HA LYS 11 1.069 -15.618 5.970 53 HB2 LYS 11 1HB LYS 11 0.231 -13.487 4.022 54 HB3 LYS 11 2HB LYS 11 1.661 -13.250 5.007 55 HG2 LYS 11 1HG LYS 11 2.486 -15.536 4.215 56 HG3 LYS 11 2HG LYS 11 1.129 -15.580 3.107 57 HD2 LYS 11 1HD LYS 11 1.919 -13.621 1.912 58 HD3 LYS 11 2HD LYS 11 3.112 -13.265 3.146 59 HE2 LYS 11 1HE LYS 11 4.368 -15.316 2.592 60 HE3 LYS 11 2HE LYS 11 3.128 -15.812 1.457 61 HZ1 LYS 11 1HZ LYS 11 4.530 -13.257 1.173 62 HZ2 LYS 11 2HZ LYS 11 5.116 -14.637 0.527 63 HZ3 LYS 11 3HZ LYS 11 3.665 -14.062 0.046 64 H THR 12 H THR 12 0.684 -15.554 8.174 65 HA THR 12 HA THR 12 -0.947 -13.594 9.386 66 HB THR 12 HB THR 12 -0.164 -14.646 11.432 67 HG1 THR 12 1HG THR 12 1.923 -15.765 9.705 68 HG21 THR 12 1HG2 THR 12 -1.036 -16.692 10.914 69 HG22 THR 12 2HG2 THR 12 -0.929 -16.266 9.189 70 HG23 THR 12 3HG2 THR 12 0.428 -17.098 9.987 71 H GLU 13 H GLU 13 -0.572 -11.465 9.239 72 HA GLU 13 HA GLU 13 1.661 -10.412 10.513 73 HB2 GLU 13 1HB GLU 13 2.769 -11.159 8.367 74 HB3 GLU 13 2HB GLU 13 1.715 -10.073 7.483 75 HG2 GLU 13 1HG GLU 13 2.864 -8.194 8.146 76 HG3 GLU 13 2HG GLU 13 3.116 -8.793 9.774 77 H LEU 14 H LEU 14 1.222 -8.277 11.108 78 HA LEU 14 HA LEU 14 -1.277 -7.214 10.022 79 HB2 LEU 14 1HB LEU 14 0.141 -7.023 12.640 80 HB3 LEU 14 2HB LEU 14 -0.863 -5.677 12.138 81 HG LEU 14 HG LEU 14 -1.891 -7.501 13.634 82 HD11 LEU 14 1HD1 LEU 14 -3.169 -6.389 11.142 83 HD12 LEU 14 2HD1 LEU 14 -4.087 -7.376 12.304 84 HD13 LEU 14 3HD1 LEU 14 -3.335 -5.851 12.830 85 HD21 LEU 14 1HD2 LEU 14 -2.989 -9.328 12.186 86 HD22 LEU 14 2HD2 LEU 14 -1.704 -8.964 11.008 87 HD23 LEU 14 3HD2 LEU 14 -1.280 -9.521 12.645 88 H VAL 15 H VAL 15 -1.323 -5.373 8.812 89 HA VAL 15 HA VAL 15 1.187 -4.312 7.962 90 HB VAL 15 HB VAL 15 -0.030 -3.216 6.336 91 HG11 VAL 15 1HG1 VAL 15 -2.101 -5.325 6.839 92 HG12 VAL 15 2HG1 VAL 15 -1.269 -4.877 5.331 93 HG13 VAL 15 3HG1 VAL 15 -0.414 -5.823 6.572 94 HG21 VAL 15 1HG2 VAL 15 -2.017 -2.854 8.476 95 HG22 VAL 15 2HG2 VAL 15 -1.604 -1.803 7.100 96 HG23 VAL 15 3HG2 VAL 15 -2.728 -3.164 6.874 97 H GLN 16 H GLN 16 1.602 -1.889 7.963 98 HA GLN 16 HA GLN 16 0.905 -0.910 10.612 99 HB2 GLN 16 1HB GLN 16 3.342 -0.834 8.953 100 HB3 GLN 16 2HB GLN 16 2.934 0.737 9.613 101 HG2 GLN 16 1HG GLN 16 3.207 0.043 11.828 102 HG3 GLN 16 2HG GLN 16 2.767 -1.617 11.481 103 HE21 GLN 16 1HE2 GLN 16 5.270 0.833 11.125 104 HE22 GLN 16 2HE2 GLN 16 6.628 -0.234 10.984 105 H LYS 17 H LYS 17 -0.815 0.476 10.593 106 HA LYS 17 HA LYS 17 -1.051 2.255 8.270 107 HB2 LYS 17 1HB LYS 17 -3.035 0.833 9.986 108 HB3 LYS 17 2HB LYS 17 -3.473 2.428 9.408 109 HG2 LYS 17 1HG LYS 17 -3.217 1.782 7.099 110 HG3 LYS 17 2HG LYS 17 -2.361 0.313 7.522 111 HD2 LYS 17 1HD LYS 17 -5.267 0.860 8.289 112 HD3 LYS 17 2HD LYS 17 -4.792 -0.035 6.859 113 HE2 LYS 17 1HE LYS 17 -4.224 -1.914 8.057 114 HE3 LYS 17 2HE LYS 17 -3.485 -0.992 9.352 115 HZ1 LYS 17 1HZ LYS 17 -5.334 -1.751 10.370 116 HZ2 LYS 17 2HZ LYS 17 -5.955 -0.356 9.790 117 HZ3 LYS 17 3HZ LYS 17 -6.255 -1.766 9.022 118 H PHE 18 H PHE 18 -0.738 4.406 8.550 119 HA PHE 18 HA PHE 18 -0.807 5.381 11.317 120 HB2 PHE 18 1HB PHE 18 1.125 5.924 8.987 121 HB3 PHE 18 2HB PHE 18 1.099 6.922 10.427 122 HD1 PHE 18 2HD PHE 18 1.557 5.775 12.673 123 HD2 PHE 18 1HD PHE 18 2.394 3.958 8.931 124 HE1 PHE 18 2HE PHE 18 3.153 4.196 13.797 125 HE2 PHE 18 1HE PHE 18 3.990 2.379 10.054 126 HZ PHE 18 HZ PHE 18 4.351 2.518 12.474 127 H ARG 19 H ARG 19 -2.402 6.871 11.540 128 HA ARG 19 HA ARG 19 -3.692 7.941 9.333 129 HB2 ARG 19 1HB ARG 19 -4.421 7.655 11.879 130 HB3 ARG 19 2HB ARG 19 -3.770 9.271 12.061 131 HG2 ARG 19 1HG ARG 19 -5.355 9.372 9.703 132 HG3 ARG 19 2HG ARG 19 -6.293 8.428 10.844 133 HD2 ARG 19 1HD ARG 19 -5.429 10.461 12.488 134 HD3 ARG 19 2HD ARG 19 -5.511 11.312 10.959 135 HE ARG 19 HE ARG 19 -7.909 9.886 11.078 136 HH11 ARG 19 2HH2 ARG 19 -6.306 12.258 13.124 137 HH12 ARG 19 1HH2 ARG 19 -7.786 12.905 13.751 138 HH21 ARG 19 2HH1 ARG 19 -9.861 10.739 11.905 139 HH22 ARG 19 1HH1 ARG 19 -9.821 12.035 13.053 140 H VAL 20 H VAL 20 -2.539 9.266 7.918 141 HA VAL 20 HA VAL 20 -1.259 11.610 9.138 142 HB VAL 20 HB VAL 20 0.462 11.492 7.419 143 HG11 VAL 20 1HG1 VAL 20 0.453 8.761 8.683 144 HG12 VAL 20 2HG1 VAL 20 1.793 9.914 8.481 145 HG13 VAL 20 3HG1 VAL 20 0.536 10.217 9.703 146 HG21 VAL 20 1HG2 VAL 20 -1.031 9.008 6.552 147 HG22 VAL 20 2HG2 VAL 20 -0.570 10.427 5.581 148 HG23 VAL 20 3HG2 VAL 20 0.678 9.285 6.138 149 H GLN 21 H GLN 21 -1.242 13.534 7.721 150 HA GLN 21 HA GLN 21 -3.696 13.589 6.224 151 HB2 GLN 21 1HB GLN 21 -1.835 15.634 7.409 152 HB3 GLN 21 2HB GLN 21 -2.834 16.136 6.059 153 HG2 GLN 21 1HG GLN 21 -4.879 15.439 7.251 154 HG3 GLN 21 2HG GLN 21 -3.929 14.772 8.564 155 HE21 GLN 21 1HE2 GLN 21 -5.598 17.419 7.442 156 HE22 GLN 21 2HE2 GLN 21 -5.010 18.648 8.512 157 H TYR 22 H TYR 22 -3.873 14.042 3.989 158 HA TYR 22 HA TYR 22 -1.431 13.528 2.499 159 HB2 TYR 22 1HB TYR 22 -3.914 12.531 2.285 160 HB3 TYR 22 2HB TYR 22 -4.274 14.044 1.477 161 HD1 TYR 22 1HD TYR 22 -1.073 13.748 0.492 162 HD2 TYR 22 2HD TYR 22 -4.763 11.640 0.000 163 HE1 TYR 22 1HE TYR 22 -0.233 12.775 -1.701 164 HE2 TYR 22 2HE TYR 22 -3.911 10.674 -2.192 165 HH TYR 22 HH TYR 22 -1.464 11.901 -3.870 166 H LEU 23 H LEU 23 -0.191 15.375 2.312 167 HA LEU 23 HA LEU 23 -1.297 17.945 2.099 168 HB2 LEU 23 1HB LEU 23 1.384 16.695 1.816 169 HB3 LEU 23 2HB LEU 23 1.161 18.277 1.095 170 HG LEU 23 HG LEU 23 0.081 18.656 3.594 171 HD11 LEU 23 1HD1 LEU 23 0.840 17.233 5.114 172 HD12 LEU 23 2HD1 LEU 23 1.522 16.243 3.801 173 HD13 LEU 23 3HD1 LEU 23 2.519 17.492 4.584 174 HD21 LEU 23 1HD2 LEU 23 3.012 19.103 3.294 175 HD22 LEU 23 2HD2 LEU 23 1.928 19.862 2.103 176 HD23 LEU 23 3HD2 LEU 23 1.726 20.208 3.838 177 H GLY 24 H GLY 24 -0.089 15.570 -0.341 178 HA2 GLY 24 1HA GLY 24 -1.750 15.764 -2.327 179 HA3 GLY 24 2HA GLY 24 -1.024 17.351 -2.482 180 H MET 25 H MET 25 -0.867 15.299 -4.498 181 HA MET 25 HA MET 25 1.796 14.230 -4.230 182 HB2 MET 25 1HB MET 25 -0.314 13.021 -5.218 183 HB3 MET 25 2HB MET 25 -0.084 14.026 -6.636 184 HG2 MET 25 1HG MET 25 2.410 13.133 -6.553 185 HG3 MET 25 2HG MET 25 1.746 11.868 -5.538 186 HE1 MET 25 1HE MET 25 0.645 12.778 -9.895 187 HE2 MET 25 2HE MET 25 -0.258 13.644 -8.630 188 HE3 MET 25 3HE MET 25 1.509 13.825 -8.745 189 H LEU 26 H LEU 26 3.608 15.072 -5.211 190 HA LEU 26 HA LEU 26 3.159 17.087 -7.292 191 HB2 LEU 26 1HB LEU 26 3.621 18.026 -4.960 192 HB3 LEU 26 2HB LEU 26 5.240 17.378 -5.135 193 HG LEU 26 HG LEU 26 4.387 19.012 -7.426 194 HD11 LEU 26 1HD1 LEU 26 5.013 20.663 -5.029 195 HD12 LEU 26 2HD1 LEU 26 4.037 21.042 -6.468 196 HD13 LEU 26 3HD1 LEU 26 3.360 20.020 -5.178 197 HD21 LEU 26 1HD2 LEU 26 6.591 19.748 -7.410 198 HD22 LEU 26 2HD2 LEU 26 6.783 19.466 -5.663 199 HD23 LEU 26 3HD2 LEU 26 6.715 18.086 -6.785 200 HA PRO 27 HA PRO 27 6.027 14.495 -9.274 201 HB2 PRO 27 1HB PRO 27 6.189 15.848 -11.643 202 HB3 PRO 27 2HB PRO 27 4.922 14.692 -11.285 203 HG2 PRO 27 1HG PRO 27 4.774 17.644 -11.346 204 HG3 PRO 27 2HG PRO 27 3.467 16.477 -11.414 205 HD2 PRO 27 1HD PRO 27 4.248 18.050 -9.146 206 HD3 PRO 27 2HD PRO 27 3.020 16.801 -9.182 207 H VAL 28 H VAL 28 8.216 14.418 -10.174 208 HA VAL 28 HA VAL 28 9.679 16.876 -9.630 209 HB VAL 28 HB VAL 28 11.356 15.619 -8.324 210 HG11 VAL 28 1HG1 VAL 28 9.452 16.959 -7.303 211 HG12 VAL 28 2HG1 VAL 28 8.633 15.405 -7.014 212 HG13 VAL 28 3HG1 VAL 28 10.205 15.738 -6.248 213 HG21 VAL 28 1HG2 VAL 28 9.408 13.381 -8.771 214 HG22 VAL 28 2HG2 VAL 28 11.188 13.370 -8.803 215 HG23 VAL 28 3HG2 VAL 28 10.326 13.439 -7.247 216 H ASP 29 H ASP 29 12.018 16.636 -10.447 217 HA ASP 29 HA ASP 29 11.816 15.362 -13.007 218 HB2 ASP 29 1HB ASP 29 13.966 17.109 -11.724 219 HB3 ASP 29 2HB ASP 29 14.077 16.492 -13.360 220 H ARG 30 H ARG 30 14.058 15.451 -10.135 221 HA ARG 30 HA ARG 30 15.442 13.159 -11.132 222 HB2 ARG 30 1HB ARG 30 15.758 15.041 -8.783 223 HB3 ARG 30 2HB ARG 30 16.558 13.484 -8.707 224 HG2 ARG 30 1HG ARG 30 17.376 14.130 -11.170 225 HG3 ARG 30 2HG ARG 30 17.024 15.763 -10.639 226 HD2 ARG 30 1HD ARG 30 18.453 15.185 -8.524 227 HD3 ARG 30 2HD ARG 30 19.013 13.797 -9.436 228 HE ARG 30 HE ARG 30 19.420 15.827 -11.230 229 HH11 ARG 30 2HH2 ARG 30 20.267 15.488 -7.831 230 HH12 ARG 30 1HH2 ARG 30 21.674 16.492 -7.950 231 HH21 ARG 30 2HH1 ARG 30 21.275 17.152 -11.387 232 HH22 ARG 30 1HH1 ARG 30 22.250 17.445 -9.986 233 HA PRO 31 HA PRO 31 13.116 10.318 -8.769 234 HB2 PRO 31 1HB PRO 31 14.797 8.164 -8.773 235 HB3 PRO 31 2HB PRO 31 13.748 8.563 -10.119 236 HG2 PRO 31 1HG PRO 31 16.671 8.933 -9.873 237 HG3 PRO 31 2HG PRO 31 15.684 8.922 -11.321 238 HD2 PRO 31 1HD PRO 31 16.783 11.225 -10.011 239 HD3 PRO 31 2HD PRO 31 15.701 11.220 -11.390 240 H VAL 32 H VAL 32 16.193 11.380 -7.756 241 HA VAL 32 HA VAL 32 15.355 10.815 -5.014 242 HB VAL 32 HB VAL 32 17.624 10.097 -4.450 243 HG11 VAL 32 1HG1 VAL 32 15.641 8.608 -5.711 244 HG12 VAL 32 2HG1 VAL 32 17.132 8.141 -6.564 245 HG13 VAL 32 3HG1 VAL 32 17.027 7.966 -4.796 246 HG21 VAL 32 1HG2 VAL 32 18.442 9.521 -7.223 247 HG22 VAL 32 2HG2 VAL 32 18.397 11.254 -6.815 248 HG23 VAL 32 3HG2 VAL 32 19.390 10.137 -5.848 249 H GLY 33 H GLY 33 17.306 11.984 -3.574 250 HA2 GLY 33 1HA GLY 33 18.722 13.923 -3.563 251 HA3 GLY 33 2HA GLY 33 17.701 14.648 -4.790 252 H MET 34 H MET 34 18.491 15.103 -1.706 253 HA MET 34 HA MET 34 15.959 15.098 -0.450 254 HB2 MET 34 1HB MET 34 18.780 15.934 0.162 255 HB3 MET 34 2HB MET 34 17.546 16.796 1.059 256 HG2 MET 34 1HG MET 34 16.842 13.994 1.076 257 HG3 MET 34 2HG MET 34 18.537 14.120 1.506 258 HE1 MET 34 1HE MET 34 15.146 14.597 4.213 259 HE2 MET 34 2HE MET 34 14.814 15.288 2.607 260 HE3 MET 34 3HE MET 34 15.429 13.624 2.750 261 H ASP 35 H ASP 35 18.094 17.615 -1.932 262 HA ASP 35 HA ASP 35 16.845 19.852 -1.228 263 HB2 ASP 35 1HB ASP 35 18.032 18.972 -3.876 264 HB3 ASP 35 2HB ASP 35 17.338 20.575 -3.732 265 H THR 36 H THR 36 16.085 17.951 -4.256 266 HA THR 36 HA THR 36 13.791 19.353 -4.947 267 HB THR 36 HB THR 36 14.850 16.542 -5.475 268 HG1 THR 36 1HG THR 36 15.298 17.667 -7.484 269 HG21 THR 36 1HG2 THR 36 12.255 16.712 -5.703 270 HG22 THR 36 2HG2 THR 36 12.575 17.890 -6.998 271 HG23 THR 36 3HG2 THR 36 13.158 16.215 -7.153 272 H LEU 37 H LEU 37 14.132 16.367 -2.933 273 HA LEU 37 HA LEU 37 11.504 15.817 -2.539 274 HB2 LEU 37 1HB LEU 37 13.511 14.550 -1.750 275 HB3 LEU 37 2HB LEU 37 13.659 15.690 -0.428 276 HG LEU 37 HG LEU 37 11.061 14.917 -0.125 277 HD11 LEU 37 1HD1 LEU 37 11.604 13.237 -2.054 278 HD12 LEU 37 2HD1 LEU 37 12.393 12.305 -0.758 279 HD13 LEU 37 3HD1 LEU 37 10.663 12.707 -0.638 280 HD21 LEU 37 1HD2 LEU 37 12.790 15.059 1.617 281 HD22 LEU 37 2HD2 LEU 37 11.839 13.559 1.737 282 HD23 LEU 37 3HD2 LEU 37 13.480 13.519 1.050 283 H ASN 38 H ASN 38 13.500 17.907 -0.326 284 HA ASN 38 HA ASN 38 11.439 18.767 1.204 285 HB2 ASN 38 1HB ASN 38 14.047 20.079 0.339 286 HB3 ASN 38 2HB ASN 38 12.948 20.939 1.399 287 HD21 ASN 38 1HD2 ASN 38 15.220 18.382 1.063 288 HD22 ASN 38 2HD2 ASN 38 15.281 17.853 2.711 289 H SER 39 H SER 39 12.916 20.382 -1.716 290 HA SER 39 HA SER 39 11.444 22.584 -1.890 291 HB2 SER 39 1HB SER 39 13.114 21.148 -3.601 292 HB3 SER 39 2HB SER 39 11.612 21.210 -4.503 293 HG SER 39 HG SER 39 12.871 23.063 -4.999 294 H ALA 40 H ALA 40 10.426 19.250 -2.797 295 HA ALA 40 HA ALA 40 8.005 19.955 -4.006 296 HB1 ALA 40 1HB ALA 40 8.196 17.761 -4.447 297 HB2 ALA 40 2HB ALA 40 9.453 17.582 -3.200 298 HB3 ALA 40 3HB ALA 40 7.736 17.420 -2.762 299 H ILE 41 H ILE 41 8.668 18.710 -0.649 300 HA ILE 41 HA ILE 41 6.130 18.966 0.327 301 HB ILE 41 HB ILE 41 8.791 19.336 1.703 302 HG12 ILE 41 1HG1 ILE 41 6.994 16.901 1.623 303 HG13 ILE 41 2HG1 ILE 41 8.313 17.158 0.499 304 HG21 ILE 41 1HG2 ILE 41 7.742 19.852 3.585 305 HG22 ILE 41 2HG2 ILE 41 6.189 19.875 2.716 306 HG23 ILE 41 3HG2 ILE 41 6.766 18.368 3.468 307 HD11 ILE 41 1HD1 ILE 41 9.010 15.762 2.441 308 HD12 ILE 41 2HD1 ILE 41 9.930 17.283 2.366 309 HD13 ILE 41 3HD1 ILE 41 8.603 17.103 3.538 310 H GLU 42 H GLU 42 8.772 21.412 0.854 311 HA GLU 42 HA GLU 42 7.331 23.354 1.939 312 HB2 GLU 42 1HB GLU 42 9.602 23.461 -0.062 313 HB3 GLU 42 2HB GLU 42 8.907 24.948 0.550 314 HG2 GLU 42 1HG GLU 42 9.525 24.456 2.807 315 HG3 GLU 42 2HG GLU 42 9.764 22.754 2.468 316 H ASN 43 H ASN 43 7.449 22.523 -1.563 317 HA ASN 43 HA ASN 43 6.166 24.675 -2.581 318 HB2 ASN 43 1HB ASN 43 7.096 22.457 -3.701 319 HB3 ASN 43 2HB ASN 43 5.462 21.858 -3.498 320 HD21 ASN 43 1HD2 ASN 43 7.002 22.458 -5.910 321 HD22 ASN 43 2HD2 ASN 43 6.082 23.593 -6.840 322 H LEU 44 H LEU 44 4.650 21.482 -1.648 323 HA LEU 44 HA LEU 44 2.025 22.261 -1.927 324 HB2 LEU 44 1HB LEU 44 3.487 20.132 -0.459 325 HB3 LEU 44 2HB LEU 44 1.823 20.421 0.007 326 HG LEU 44 HG LEU 44 2.718 19.829 -2.827 327 HD11 LEU 44 1HD1 LEU 44 1.149 17.741 -1.591 328 HD12 LEU 44 2HD1 LEU 44 2.739 17.654 -2.388 329 HD13 LEU 44 3HD1 LEU 44 2.632 18.055 -0.657 330 HD21 LEU 44 1HD2 LEU 44 -0.008 20.092 -1.545 331 HD22 LEU 44 2HD2 LEU 44 0.676 21.034 -2.892 332 HD23 LEU 44 3HD2 LEU 44 0.265 19.318 -3.125 333 H MET 45 H MET 45 4.011 22.194 1.119 334 HA MET 45 HA MET 45 2.283 23.108 2.880 335 HB2 MET 45 1HB MET 45 5.206 23.577 2.368 336 HB3 MET 45 2HB MET 45 4.476 24.675 3.523 337 HG2 MET 45 1HG MET 45 3.558 21.979 4.094 338 HG3 MET 45 2HG MET 45 5.305 21.961 3.958 339 HE1 MET 45 1HE MET 45 3.268 21.592 6.664 340 HE2 MET 45 2HE MET 45 4.978 21.130 6.492 341 HE3 MET 45 3HE MET 45 4.473 22.193 7.827 342 H THR 46 H THR 46 4.356 25.426 0.978 343 HA THR 46 HA THR 46 2.670 27.623 1.695 344 HB THR 46 HB THR 46 5.170 27.740 1.336 345 HG1 THR 46 1HG THR 46 4.381 29.774 0.929 346 HG21 THR 46 1HG2 THR 46 6.053 26.869 -0.583 347 HG22 THR 46 2HG2 THR 46 4.425 26.545 -1.225 348 HG23 THR 46 3HG2 THR 46 5.187 28.131 -1.491 349 H SER 47 H SER 47 0.752 26.122 0.857 350 HA SER 47 HA SER 47 -0.219 27.486 -1.368 351 HB2 SER 47 1HB SER 47 1.209 24.981 -1.918 352 HB3 SER 47 2HB SER 47 -0.457 24.895 -2.452 353 HG SER 47 HG SER 47 1.644 26.241 -3.583 354 H SER 48 H SER 48 -0.523 24.049 -0.192 355 HA SER 48 HA SER 48 -3.339 24.482 0.121 356 HB2 SER 48 1HB SER 48 -1.492 22.094 0.249 357 HB3 SER 48 2HB SER 48 -3.088 21.969 0.961 358 HG SER 48 HG SER 48 -3.911 22.775 -1.185 359 H SER 49 H SER 49 -4.489 24.316 2.141 360 HA SER 49 HA SER 49 -2.995 25.273 4.329 361 HB2 SER 49 1HB SER 49 -5.877 24.277 4.242 362 HB3 SER 49 2HB SER 49 -5.171 25.254 5.514 363 HG SER 49 HG SER 49 -5.714 25.997 2.780 364 H LYS 50 H LYS 50 -3.257 24.201 6.600 365 HA LYS 50 HA LYS 50 -2.181 21.593 6.428 366 HB2 LYS 50 1HB LYS 50 -1.330 22.756 8.212 367 HB3 LYS 50 2HB LYS 50 -2.850 23.540 8.588 368 HG2 LYS 50 1HG LYS 50 -3.752 21.525 9.593 369 HG3 LYS 50 2HG LYS 50 -2.444 20.543 8.964 370 HD2 LYS 50 1HD LYS 50 -0.885 22.162 10.356 371 HD3 LYS 50 2HD LYS 50 -2.357 22.581 11.210 372 HE2 LYS 50 1HE LYS 50 -1.427 19.697 10.841 373 HE3 LYS 50 2HE LYS 50 -0.981 20.667 12.231 374 HZ1 LYS 50 1HZ LYS 50 -2.973 19.308 12.559 375 HZ2 LYS 50 2HZ LYS 50 -3.259 20.899 12.795 376 HZ3 LYS 50 3HZ LYS 50 -3.760 20.174 11.420 377 H GLU 51 H GLU 51 -5.336 22.904 7.655 378 HA GLU 51 HA GLU 51 -6.364 20.374 8.200 379 HB2 GLU 51 1HB GLU 51 -7.746 23.039 7.668 380 HB3 GLU 51 2HB GLU 51 -8.586 21.611 8.238 381 HG2 GLU 51 1HG GLU 51 -7.352 21.574 10.307 382 HG3 GLU 51 2HG GLU 51 -6.152 22.700 9.705 383 H ASP 52 H ASP 52 -6.205 22.376 5.264 384 HA ASP 52 HA ASP 52 -8.217 21.296 3.805 385 HB2 ASP 52 1HB ASP 52 -5.571 22.548 3.235 386 HB3 ASP 52 2HB ASP 52 -6.210 21.583 1.920 387 H TRP 53 H TRP 53 -5.258 19.843 4.986 388 HA TRP 53 HA TRP 53 -5.079 17.811 2.973 389 HB2 TRP 53 1HB TRP 53 -3.760 17.874 5.687 390 HB3 TRP 53 2HB TRP 53 -3.285 16.935 4.286 391 HD1 TRP 53 HD TRP 53 -3.430 19.407 2.133 392 HE1 TRP 53 1HE TRP 53 -1.564 21.272 2.085 393 HE3 TRP 53 3HE TRP 53 -1.797 18.633 6.885 394 HZ2 TRP 53 2HZ TRP 53 0.343 22.194 3.998 395 HZ3 TRP 53 3HZ TRP 53 0.071 20.058 7.718 396 HH2 TRP 53 HH TRP 53 1.134 21.789 6.358 397 HA PRO 54 HA PRO 54 -8.190 15.418 4.924 398 HB2 PRO 54 1HB PRO 54 -8.234 13.355 3.132 399 HB3 PRO 54 2HB PRO 54 -9.136 14.841 2.905 400 HG2 PRO 54 1HG PRO 54 -6.654 13.956 1.565 401 HG3 PRO 54 2HG PRO 54 -7.785 15.200 1.071 402 HD2 PRO 54 1HD PRO 54 -5.218 15.599 2.288 403 HD3 PRO 54 2HD PRO 54 -6.398 16.836 1.899 404 H SER 55 H SER 55 -8.359 13.848 6.471 405 HA SER 55 HA SER 55 -5.840 12.824 7.247 406 HB2 SER 55 1HB SER 55 -8.103 11.559 8.588 407 HB3 SER 55 2HB SER 55 -6.864 12.604 9.255 408 HG SER 55 HG SER 55 -9.474 13.209 8.472 409 H VAL 56 H VAL 56 -4.961 11.222 5.947 410 HA VAL 56 HA VAL 56 -6.758 9.022 5.200 411 HB VAL 56 HB VAL 56 -5.323 8.622 3.340 412 HG11 VAL 56 1HG1 VAL 56 -5.459 10.828 2.134 413 HG12 VAL 56 2HG1 VAL 56 -6.974 10.307 2.910 414 HG13 VAL 56 3HG1 VAL 56 -5.971 11.567 3.670 415 HG21 VAL 56 1HG2 VAL 56 -3.239 9.585 2.942 416 HG22 VAL 56 2HG2 VAL 56 -3.541 10.946 4.049 417 HG23 VAL 56 3HG2 VAL 56 -3.220 9.322 4.702 418 H ASN 57 H ASN 57 -5.184 6.928 4.790 419 HA ASN 57 HA ASN 57 -3.599 6.737 7.230 420 HB2 ASN 57 1HB ASN 57 -5.602 4.797 6.008 421 HB3 ASN 57 2HB ASN 57 -4.316 4.190 7.033 422 HD21 ASN 57 1HD2 ASN 57 -7.334 4.521 7.248 423 HD22 ASN 57 2HD2 ASN 57 -7.603 5.241 8.800 424 H MET 58 H MET 58 -1.594 5.565 6.991 425 HA MET 58 HA MET 58 -0.967 4.924 4.218 426 HB2 MET 58 1HB MET 58 0.358 6.738 5.474 427 HB3 MET 58 2HB MET 58 0.932 5.489 6.561 428 HG2 MET 58 1HG MET 58 2.661 5.287 5.070 429 HG3 MET 58 2HG MET 58 1.528 4.334 4.133 430 HE1 MET 58 1HE MET 58 2.178 7.978 5.099 431 HE2 MET 58 2HE MET 58 3.659 7.644 4.170 432 HE3 MET 58 3HE MET 58 2.458 8.798 3.544 433 H ASN 59 H ASN 59 -1.380 2.746 3.933 434 HA ASN 59 HA ASN 59 -0.891 0.936 6.064 435 HB2 ASN 59 1HB ASN 59 -2.738 0.680 4.326 436 HB3 ASN 59 2HB ASN 59 -1.508 0.362 3.118 437 HD21 ASN 59 1HD2 ASN 59 -3.743 -1.193 4.544 438 HD22 ASN 59 2HD2 ASN 59 -3.019 -2.706 4.976 439 H VAL 60 H VAL 60 0.825 -0.657 6.136 440 HA VAL 60 HA VAL 60 2.812 -0.492 3.996 441 HB VAL 60 HB VAL 60 3.356 -0.268 6.963 442 HG11 VAL 60 1HG1 VAL 60 5.516 0.023 4.917 443 HG12 VAL 60 2HG1 VAL 60 5.596 -0.565 6.596 444 HG13 VAL 60 3HG1 VAL 60 4.958 -1.620 5.312 445 HG21 VAL 60 1HG2 VAL 60 3.138 1.929 6.624 446 HG22 VAL 60 2HG2 VAL 60 4.576 1.844 5.579 447 HG23 VAL 60 3HG2 VAL 60 2.950 1.704 4.869 448 H ALA 61 H ALA 61 2.495 -2.511 3.132 449 HA ALA 61 HA ALA 61 3.172 -4.733 4.852 450 HB1 ALA 61 1HB ALA 61 0.893 -5.623 3.415 451 HB2 ALA 61 2HB ALA 61 1.059 -5.420 5.176 452 HB3 ALA 61 3HB ALA 61 0.433 -4.084 4.180 453 H ASP 62 H ASP 62 3.408 -6.783 3.471 454 HA ASP 62 HA ASP 62 4.606 -7.681 1.876 455 HB2 ASP 62 1HB ASP 62 2.147 -7.300 0.947 456 HB3 ASP 62 2HB ASP 62 2.922 -6.162 -0.137 457 H ALA 63 H ALA 63 5.783 -5.216 2.799 458 HA ALA 63 HA ALA 63 7.197 -3.592 2.263 459 HB1 ALA 63 1HB ALA 63 8.104 -4.770 -0.276 460 HB2 ALA 63 2HB ALA 63 9.001 -4.484 1.234 461 HB3 ALA 63 3HB ALA 63 8.011 -5.952 1.051 462 H THR 64 H THR 64 4.706 -2.766 1.669 463 HA THR 64 HA THR 64 5.153 -1.206 -0.753 464 HB THR 64 HB THR 64 2.811 -3.096 -0.231 465 HG1 THR 64 1HG THR 64 4.754 -2.467 -2.338 466 HG21 THR 64 1HG2 THR 64 2.052 -0.748 -1.019 467 HG22 THR 64 2HG2 THR 64 3.028 -1.038 -2.479 468 HG23 THR 64 3HG2 THR 64 1.649 -2.099 -2.106 469 H VAL 65 H VAL 65 3.722 0.698 -0.889 470 HA VAL 65 HA VAL 65 2.775 1.457 1.788 471 HB VAL 65 HB VAL 65 4.567 2.859 -0.149 472 HG11 VAL 65 1HG1 VAL 65 2.502 4.186 1.610 473 HG12 VAL 65 2HG1 VAL 65 4.026 5.001 1.187 474 HG13 VAL 65 3HG1 VAL 65 2.897 4.505 -0.096 475 HG21 VAL 65 1HG2 VAL 65 4.766 1.791 2.481 476 HG22 VAL 65 2HG2 VAL 65 6.015 2.630 1.530 477 HG23 VAL 65 3HG2 VAL 65 4.943 3.558 2.607 478 H THR 66 H THR 66 0.580 1.248 1.571 479 HA THR 66 HA THR 66 -0.610 2.544 -0.793 480 HB THR 66 HB THR 66 -1.486 0.138 0.885 481 HG1 THR 66 1HG THR 66 0.208 0.120 -0.936 482 HG21 THR 66 1HG2 THR 66 -3.571 0.231 -0.074 483 HG22 THR 66 2HG2 THR 66 -3.212 1.945 -0.392 484 HG23 THR 66 3HG2 THR 66 -2.902 0.722 -1.648 485 H VAL 67 H VAL 67 -1.620 4.407 -0.431 486 HA VAL 67 HA VAL 67 -2.194 5.131 2.306 487 HB VAL 67 HB VAL 67 -2.512 6.639 -0.297 488 HG11 VAL 67 1HG1 VAL 67 -2.361 8.622 1.394 489 HG12 VAL 67 2HG1 VAL 67 -3.909 7.771 1.179 490 HG13 VAL 67 3HG1 VAL 67 -2.885 7.412 2.590 491 HG21 VAL 67 1HG2 VAL 67 -0.198 6.133 1.479 492 HG22 VAL 67 2HG2 VAL 67 -0.253 6.571 -0.245 493 HG23 VAL 67 3HG2 VAL 67 -0.436 7.831 0.999 494 H ILE 68 H ILE 68 -3.998 4.168 3.145 495 HA ILE 68 HA ILE 68 -6.333 3.958 1.407 496 HB ILE 68 HB ILE 68 -5.752 2.755 4.117 497 HG12 ILE 68 1HG1 ILE 68 -5.453 1.711 1.303 498 HG13 ILE 68 2HG1 ILE 68 -4.277 1.719 2.603 499 HG21 ILE 68 1HG2 ILE 68 -7.872 2.113 4.243 500 HG22 ILE 68 2HG2 ILE 68 -8.224 3.171 2.856 501 HG23 ILE 68 3HG2 ILE 68 -7.831 1.456 2.589 502 HD11 ILE 68 1HD1 ILE 68 -4.973 -0.497 2.710 503 HD12 ILE 68 2HD1 ILE 68 -6.130 0.235 3.847 504 HD13 ILE 68 3HD1 ILE 68 -6.627 -0.113 2.174 505 H SER 69 H SER 69 -8.336 4.921 1.923 506 HA SER 69 HA SER 69 -8.093 7.382 3.218 507 HB2 SER 69 1HB SER 69 -9.684 7.054 1.395 508 HB3 SER 69 2HB SER 69 -10.524 5.799 2.283 509 HG SER 69 HG SER 69 -10.312 8.273 3.629 510 H GLU 70 H GLU 70 -9.170 8.127 5.196 511 HA GLU 70 HA GLU 70 -8.937 6.259 7.266 512 HB2 GLU 70 1HB GLU 70 -8.498 8.378 8.055 513 HB3 GLU 70 2HB GLU 70 -9.660 9.141 6.988 514 HG2 GLU 70 1HG GLU 70 -11.530 8.436 8.398 515 HG3 GLU 70 2HG GLU 70 -10.481 7.430 9.378 516 H LYS 71 H LYS 71 -11.818 8.035 5.922 517 HA LYS 71 HA LYS 71 -13.591 6.307 7.383 518 HB2 LYS 71 1HB LYS 71 -13.748 8.842 5.921 519 HB3 LYS 71 2HB LYS 71 -15.115 7.794 5.604 520 HG2 LYS 71 1HG LYS 71 -15.938 8.015 7.728 521 HG3 LYS 71 2HG LYS 71 -14.358 7.834 8.463 522 HD2 LYS 71 1HD LYS 71 -14.060 10.089 8.642 523 HD3 LYS 71 2HD LYS 71 -14.579 10.375 6.993 524 HE2 LYS 71 1HE LYS 71 -16.936 9.600 8.383 525 HE3 LYS 71 2HE LYS 71 -16.094 10.677 9.480 526 HZ1 LYS 71 1HZ LYS 71 -16.875 12.304 8.242 527 HZ2 LYS 71 2HZ LYS 71 -15.885 11.844 7.028 528 HZ3 LYS 71 3HZ LYS 71 -17.422 11.295 7.080 529 H ASN 72 H ASN 72 -12.133 4.537 6.063 530 HA ASN 72 HA ASN 72 -13.902 3.105 4.625 531 HB2 ASN 72 1HB ASN 72 -12.888 5.242 2.998 532 HB3 ASN 72 2HB ASN 72 -12.104 3.784 2.424 533 HD21 ASN 72 1HD2 ASN 72 -13.388 1.980 1.792 534 HD22 ASN 72 2HD2 ASN 72 -15.001 2.188 1.196 535 H GLU 73 H GLU 73 -12.706 1.216 3.414 536 HA GLU 73 HA GLU 73 -9.967 1.020 4.387 537 HB2 GLU 73 1HB GLU 73 -12.194 -1.040 4.612 538 HB3 GLU 73 2HB GLU 73 -10.504 -1.489 4.733 539 HG2 GLU 73 1HG GLU 73 -10.363 -0.716 6.865 540 HG3 GLU 73 2HG GLU 73 -11.042 0.837 6.418 541 H GLU 74 H GLU 74 -12.505 -0.127 2.093 542 HA GLU 74 HA GLU 74 -10.585 -1.437 0.465 543 HB2 GLU 74 1HB GLU 74 -13.546 -0.889 0.322 544 HB3 GLU 74 2HB GLU 74 -12.720 -1.358 -1.150 545 HG2 GLU 74 1HG GLU 74 -12.296 -2.956 1.395 546 HG3 GLU 74 2HG GLU 74 -13.732 -3.222 0.425 547 H GLU 75 H GLU 75 -11.379 1.814 1.002 548 HA GLU 75 HA GLU 75 -11.069 2.630 -1.726 549 HB2 GLU 75 1HB GLU 75 -12.369 3.718 0.446 550 HB3 GLU 75 2HB GLU 75 -10.901 4.676 0.429 551 HG2 GLU 75 1HG GLU 75 -11.290 5.423 -1.836 552 HG3 GLU 75 2HG GLU 75 -12.535 4.218 -2.101 553 H VAL 76 H VAL 76 -9.035 2.458 -2.592 554 HA VAL 76 HA VAL 76 -6.773 3.064 -0.844 555 HB VAL 76 HB VAL 76 -6.991 1.709 -3.538 556 HG11 VAL 76 1HG1 VAL 76 -4.892 2.898 -3.476 557 HG12 VAL 76 2HG1 VAL 76 -4.545 2.294 -1.838 558 HG13 VAL 76 3HG1 VAL 76 -4.572 1.166 -3.214 559 HG21 VAL 76 1HG2 VAL 76 -5.953 0.399 -1.046 560 HG22 VAL 76 2HG2 VAL 76 -7.710 0.589 -1.258 561 HG23 VAL 76 3HG2 VAL 76 -6.761 -0.317 -2.461 562 H LEU 77 H LEU 77 -6.394 5.238 -0.771 563 HA LEU 77 HA LEU 77 -7.057 6.971 -2.878 564 HB2 LEU 77 1HB LEU 77 -5.253 7.288 -0.478 565 HB3 LEU 77 2HB LEU 77 -5.663 8.594 -1.572 566 HG LEU 77 HG LEU 77 -7.838 7.026 -0.203 567 HD11 LEU 77 1HD1 LEU 77 -6.367 9.390 0.997 568 HD12 LEU 77 2HD1 LEU 77 -7.819 8.601 1.658 569 HD13 LEU 77 3HD1 LEU 77 -6.284 7.706 1.568 570 HD21 LEU 77 1HD2 LEU 77 -8.532 8.496 -1.994 571 HD22 LEU 77 2HD2 LEU 77 -9.062 9.162 -0.432 572 HD23 LEU 77 3HD2 LEU 77 -7.651 9.859 -1.264 573 H VAL 78 H VAL 78 -3.796 5.899 -1.669 574 HA VAL 78 HA VAL 78 -2.893 6.061 -4.453 575 HB VAL 78 HB VAL 78 -1.765 7.374 -2.008 576 HG11 VAL 78 1HG1 VAL 78 0.408 7.636 -3.130 577 HG12 VAL 78 2HG1 VAL 78 0.044 5.924 -2.806 578 HG13 VAL 78 3HG1 VAL 78 -0.144 6.578 -4.451 579 HG21 VAL 78 1HG2 VAL 78 -2.812 9.005 -3.216 580 HG22 VAL 78 2HG2 VAL 78 -1.231 9.043 -4.033 581 HG23 VAL 78 3HG2 VAL 78 -2.590 8.159 -4.766 582 H GLU 79 H GLU 79 -1.497 4.409 -5.089 583 HA GLU 79 HA GLU 79 -0.925 2.472 -2.982 584 HB2 GLU 79 1HB GLU 79 -2.688 1.673 -4.545 585 HB3 GLU 79 2HB GLU 79 -1.609 1.919 -5.904 586 HG2 GLU 79 1HG GLU 79 0.013 0.357 -4.394 587 HG3 GLU 79 2HG GLU 79 -1.526 -0.198 -3.768 588 H CYS 80 H CYS 80 1.219 3.017 -2.539 589 HA CYS 80 HA CYS 80 2.999 3.110 -4.861 590 HB2 CYS 80 1HB CYS 80 3.340 4.288 -2.085 591 HB3 CYS 80 2HB CYS 80 4.599 4.261 -3.303 592 HG CYS 80 HG CYS 80 1.886 5.143 -4.646 593 H ARG 81 H ARG 81 4.985 1.838 -4.743 594 HA ARG 81 HA ARG 81 4.888 -0.175 -2.643 595 HB2 ARG 81 1HB ARG 81 5.556 -0.555 -5.604 596 HB3 ARG 81 2HB ARG 81 5.834 -1.787 -4.390 597 HG2 ARG 81 1HG ARG 81 3.542 -2.170 -4.041 598 HG3 ARG 81 2HG ARG 81 3.083 -0.556 -4.548 599 HD2 ARG 81 1HD ARG 81 2.463 -1.605 -6.496 600 HD3 ARG 81 2HD ARG 81 4.166 -1.483 -6.890 601 HE ARG 81 HE ARG 81 4.265 -3.804 -6.777 602 HH11 ARG 81 2HH2 ARG 81 1.686 -2.706 -4.651 603 HH12 ARG 81 1HH2 ARG 81 1.215 -4.307 -4.184 604 HH21 ARG 81 2HH1 ARG 81 3.645 -5.916 -6.163 605 HH22 ARG 81 1HH1 ARG 81 2.337 -6.145 -5.050 606 H VAL 82 H VAL 82 7.047 -1.120 -2.089 607 HA VAL 82 HA VAL 82 9.053 0.898 -2.098 608 HB VAL 82 HB VAL 82 10.280 -0.620 -0.724 609 HG11 VAL 82 1HG1 VAL 82 7.928 -1.476 0.587 610 HG12 VAL 82 2HG1 VAL 82 8.890 -0.014 0.912 611 HG13 VAL 82 3HG1 VAL 82 7.519 0.056 -0.221 612 HG21 VAL 82 1HG2 VAL 82 9.049 -2.954 -0.321 613 HG22 VAL 82 2HG2 VAL 82 8.541 -2.685 -2.005 614 HG23 VAL 82 3HG2 VAL 82 10.272 -2.736 -1.596 615 H ARG 83 H ARG 83 8.160 -1.768 -4.177 616 HA ARG 83 HA ARG 83 10.767 -2.138 -5.208 617 HB2 ARG 83 1HB ARG 83 9.598 -3.553 -6.917 618 HB3 ARG 83 2HB ARG 83 9.115 -3.967 -5.285 619 HG2 ARG 83 1HG ARG 83 6.996 -3.783 -6.162 620 HG3 ARG 83 2HG ARG 83 7.225 -2.083 -5.806 621 HD2 ARG 83 1HD ARG 83 6.948 -1.626 -8.012 622 HD3 ARG 83 2HD ARG 83 8.446 -2.472 -8.345 623 HE ARG 83 HE ARG 83 5.708 -3.571 -8.614 624 HH11 ARG 83 2HH2 ARG 83 9.173 -4.178 -8.684 625 HH12 ARG 83 1HH2 ARG 83 9.025 -5.664 -9.563 626 HH21 ARG 83 2HH1 ARG 83 5.511 -5.531 -9.773 627 HH22 ARG 83 1HH1 ARG 83 6.928 -6.438 -10.186 628 H PHE 84 H PHE 84 8.275 0.215 -5.603 629 HA PHE 84 HA PHE 84 9.318 0.959 -8.243 630 HB2 PHE 84 1HB PHE 84 6.684 1.108 -6.760 631 HB3 PHE 84 2HB PHE 84 7.040 2.461 -7.816 632 HD1 PHE 84 2HD PHE 84 8.488 0.986 -10.002 633 HD2 PHE 84 1HD PHE 84 4.917 0.071 -7.900 634 HE1 PHE 84 2HE PHE 84 7.667 -0.335 -11.972 635 HE2 PHE 84 1HE PHE 84 4.096 -1.249 -9.870 636 HZ PHE 84 HZ PHE 84 5.481 -1.437 -11.882 637 H LEU 85 H LEU 85 9.093 1.825 -4.861 638 HA LEU 85 HA LEU 85 9.166 4.567 -4.956 639 HB2 LEU 85 1HB LEU 85 9.553 2.508 -3.062 640 HB3 LEU 85 2HB LEU 85 10.943 3.567 -2.930 641 HG LEU 85 HG LEU 85 8.239 4.837 -3.008 642 HD11 LEU 85 1HD1 LEU 85 7.565 3.313 -1.440 643 HD12 LEU 85 2HD1 LEU 85 9.213 3.038 -0.827 644 HD13 LEU 85 3HD1 LEU 85 8.338 4.525 -0.391 645 HD21 LEU 85 1HD2 LEU 85 9.462 6.611 -2.491 646 HD22 LEU 85 2HD2 LEU 85 9.920 5.839 -0.954 647 HD23 LEU 85 3HD2 LEU 85 10.928 5.605 -2.402 648 H SER 86 H SER 86 11.138 5.994 -4.462 649 HA SER 86 HA SER 86 13.435 4.997 -5.945 650 HB2 SER 86 1HB SER 86 12.120 7.731 -6.258 651 HB3 SER 86 2HB SER 86 13.672 7.305 -6.950 652 HG SER 86 HG SER 86 11.902 5.361 -7.641 653 H PHE 87 H PHE 87 12.051 7.458 -3.686 654 HA PHE 87 HA PHE 87 14.138 7.131 -1.849 655 HB2 PHE 87 1HB PHE 87 15.270 8.449 -3.752 656 HB3 PHE 87 2HB PHE 87 14.088 9.721 -3.512 657 HD1 PHE 87 1HD PHE 87 16.956 7.981 -1.988 658 HD2 PHE 87 2HD PHE 87 14.300 11.280 -1.716 659 HE1 PHE 87 1HE PHE 87 18.436 9.030 -0.253 660 HE2 PHE 87 2HE PHE 87 15.781 12.329 0.019 661 HZ PHE 87 HZ PHE 87 17.831 11.192 0.729 662 H MET 88 H MET 88 14.034 9.018 -0.127 663 HA MET 88 HA MET 88 11.674 10.548 -0.121 664 HB2 MET 88 1HB MET 88 10.453 9.379 1.649 665 HB3 MET 88 2HB MET 88 10.803 8.198 0.403 666 HG2 MET 88 1HG MET 88 12.824 7.449 1.705 667 HG3 MET 88 2HG MET 88 12.428 8.603 2.962 668 HE1 MET 88 1HE MET 88 9.778 5.810 1.038 669 HE2 MET 88 2HE MET 88 11.549 5.774 0.869 670 HE3 MET 88 3HE MET 88 10.735 4.619 1.951 671 H GLY 89 H GLY 89 11.386 10.668 2.795 672 HA2 GLY 89 1HA GLY 89 13.418 10.846 4.453 673 HA3 GLY 89 2HA GLY 89 13.831 12.165 3.376 674 H VAL 90 H VAL 90 13.152 12.424 6.197 675 HA VAL 90 HA VAL 90 10.448 13.432 6.256 676 HB VAL 90 HB VAL 90 12.681 13.265 8.284 677 HG11 VAL 90 1HG1 VAL 90 11.236 14.122 9.955 678 HG12 VAL 90 2HG1 VAL 90 11.111 15.253 8.586 679 HG13 VAL 90 3HG1 VAL 90 9.821 14.061 8.877 680 HG21 VAL 90 1HG2 VAL 90 11.968 11.143 8.407 681 HG22 VAL 90 2HG2 VAL 90 10.507 11.797 9.184 682 HG23 VAL 90 3HG2 VAL 90 10.519 11.484 7.432 683 H GLY 91 H GLY 91 9.903 15.450 5.626 684 HA2 GLY 91 1HA GLY 91 11.671 17.324 4.644 685 HA3 GLY 91 2HA GLY 91 10.044 17.653 5.203 686 H LYS 92 H LYS 92 11.373 19.771 5.715 687 HA LYS 92 HA LYS 92 13.255 20.027 7.605 688 HB2 LYS 92 1HB LYS 92 10.841 21.694 6.937 689 HB3 LYS 92 2HB LYS 92 11.900 22.173 8.248 690 HG2 LYS 92 1HG LYS 92 13.534 22.861 6.817 691 HG3 LYS 92 2HG LYS 92 13.443 21.386 5.875 692 HD2 LYS 92 1HD LYS 92 12.667 22.853 4.265 693 HD3 LYS 92 2HD LYS 92 11.133 22.487 5.031 694 HE2 LYS 92 1HE LYS 92 11.034 24.809 5.093 695 HE3 LYS 92 2HE LYS 92 11.812 24.522 6.637 696 HZ1 LYS 92 1HZ LYS 92 13.831 25.149 5.807 697 HZ2 LYS 92 2HZ LYS 92 13.455 24.826 4.251 698 HZ3 LYS 92 3HZ LYS 92 12.846 26.154 4.979 699 H ASP 93 H ASP 93 9.703 20.083 8.399 700 HA ASP 93 HA ASP 93 10.251 19.755 11.130 701 HB2 ASP 93 1HB ASP 93 7.956 20.180 9.404 702 HB3 ASP 93 2HB ASP 93 7.581 18.881 10.519 703 H VAL 94 H VAL 94 9.356 17.811 12.427 704 HA VAL 94 HA VAL 94 10.177 15.377 11.100 705 HB VAL 94 HB VAL 94 10.059 14.416 13.323 706 HG11 VAL 94 1HG1 VAL 94 11.590 16.880 12.737 707 HG12 VAL 94 2HG1 VAL 94 11.520 16.419 14.455 708 HG13 VAL 94 3HG1 VAL 94 12.150 15.270 13.250 709 HG21 VAL 94 1HG2 VAL 94 9.188 15.458 15.217 710 HG22 VAL 94 2HG2 VAL 94 9.255 17.079 14.483 711 HG23 VAL 94 3HG2 VAL 94 8.022 15.911 13.950 712 H HIS 95 H HIS 95 7.324 17.190 11.446 713 HA HIS 95 HA HIS 95 5.644 14.817 11.516 714 HB2 HIS 95 1HB HIS 95 4.564 17.606 11.346 715 HB3 HIS 95 2HB HIS 95 3.883 16.190 12.122 716 HD1 HIS 95 1HD HIS 95 6.775 18.650 12.619 717 HD2 HIS 95 2HD HIS 95 4.331 16.053 14.829 718 HE1 HIS 95 1HE HIS 95 7.343 19.049 15.074 719 H THR 96 H THR 96 7.507 15.762 9.235 720 HA THR 96 HA THR 96 5.410 15.749 7.167 721 HB THR 96 HB THR 96 7.228 17.141 5.872 722 HG1 THR 96 1HG THR 96 8.414 18.382 7.696 723 HG21 THR 96 1HG2 THR 96 6.259 18.706 8.265 724 HG22 THR 96 2HG2 THR 96 6.228 19.151 6.542 725 HG23 THR 96 3HG2 THR 96 5.029 18.005 7.187 726 H PHE 97 H PHE 97 5.632 14.310 5.513 727 HA PHE 97 HA PHE 97 8.178 12.963 5.220 728 HB2 PHE 97 1HB PHE 97 6.923 11.656 6.947 729 HB3 PHE 97 2HB PHE 97 5.485 11.666 5.947 730 HD1 PHE 97 2HD PHE 97 9.047 10.556 5.814 731 HD2 PHE 97 1HD PHE 97 5.037 9.812 4.643 732 HE1 PHE 97 2HE PHE 97 9.753 8.380 4.779 733 HE2 PHE 97 1HE PHE 97 5.742 7.637 3.608 734 HZ PHE 97 HZ PHE 97 8.092 6.947 3.688 735 H ALA 98 H ALA 98 8.551 12.328 3.105 736 HA ALA 98 HA ALA 98 6.328 11.962 1.316 737 HB1 ALA 98 1HB ALA 98 6.898 14.518 1.545 738 HB2 ALA 98 2HB ALA 98 8.310 14.102 0.544 739 HB3 ALA 98 3HB ALA 98 6.665 13.810 -0.071 740 H PHE 99 H PHE 99 6.932 10.738 -0.516 741 HA PHE 99 HA PHE 99 9.782 10.148 -0.754 742 HB2 PHE 99 1HB PHE 99 9.170 7.719 -0.853 743 HB3 PHE 99 2HB PHE 99 8.651 8.403 0.674 744 HD1 PHE 99 2HD PHE 99 7.502 7.233 -2.621 745 HD2 PHE 99 1HD PHE 99 6.331 8.547 1.240 746 HE1 PHE 99 2HE PHE 99 5.162 6.436 -3.060 747 HE2 PHE 99 1HE PHE 99 3.992 7.750 0.802 748 HZ PHE 99 HZ PHE 99 3.435 6.704 -1.343 749 H ILE 100 H ILE 100 10.463 9.603 -2.870 750 HA ILE 100 HA ILE 100 8.531 10.337 -4.906 751 HB ILE 100 HB ILE 100 11.477 9.749 -5.191 752 HG12 ILE 100 1HG1 ILE 100 10.162 12.441 -4.718 753 HG13 ILE 100 2HG1 ILE 100 11.031 11.531 -3.498 754 HG21 ILE 100 1HG2 ILE 100 10.245 9.672 -7.285 755 HG22 ILE 100 2HG2 ILE 100 9.524 11.263 -6.946 756 HG23 ILE 100 3HG2 ILE 100 11.277 11.121 -7.222 757 HD11 ILE 100 1HD1 ILE 100 12.182 12.564 -6.130 758 HD12 ILE 100 2HD1 ILE 100 12.538 13.182 -4.500 759 HD13 ILE 100 3HD1 ILE 100 13.073 11.551 -4.970 760 H MET 101 H MET 101 7.406 8.872 -6.066 761 HA MET 101 HA MET 101 8.466 6.152 -6.036 762 HB2 MET 101 1HB MET 101 6.201 5.356 -5.944 763 HB3 MET 101 2HB MET 101 6.202 6.727 -4.853 764 HG2 MET 101 1HG MET 101 4.440 7.503 -6.080 765 HG3 MET 101 2HG MET 101 5.630 7.947 -7.288 766 HE1 MET 101 1HE MET 101 4.298 4.757 -5.799 767 HE2 MET 101 2HE MET 101 2.714 5.220 -6.464 768 HE3 MET 101 3HE MET 101 3.598 3.838 -7.153 769 H ASP 102 H ASP 102 7.663 4.799 -8.001 770 HA ASP 102 HA ASP 102 7.783 6.544 -10.334 771 HB2 ASP 102 1HB ASP 102 9.783 5.146 -10.150 772 HB3 ASP 102 2HB ASP 102 8.816 3.710 -9.884 773 H THR 103 H THR 103 5.740 6.601 -11.288 774 HA THR 103 HA THR 103 3.915 4.390 -10.859 775 HB THR 103 HB THR 103 2.278 5.961 -11.772 776 HG1 THR 103 1HG THR 103 4.549 7.707 -12.313 777 HG21 THR 103 1HG2 THR 103 2.785 6.751 -9.563 778 HG22 THR 103 2HG2 THR 103 4.416 7.279 -10.042 779 HG23 THR 103 3HG2 THR 103 2.988 8.188 -10.594 780 H GLY 104 H GLY 104 6.509 4.588 -12.760 781 HA2 GLY 104 1HA GLY 104 6.694 2.785 -14.373 782 HA3 GLY 104 2HA GLY 104 5.131 3.254 -15.013 783 H ASN 105 H ASN 105 7.777 3.083 -16.397 784 HA ASN 105 HA ASN 105 8.893 4.161 -17.910 785 HB2 ASN 105 1HB ASN 105 6.702 6.285 -17.628 786 HB3 ASN 105 2HB ASN 105 7.903 6.290 -18.903 787 HD21 ASN 105 1HD2 ASN 105 5.866 6.262 -20.168 788 HD22 ASN 105 2HD2 ASN 105 5.190 4.733 -20.620 789 H GLN 106 H GLN 106 9.686 6.804 -18.359 790 HA GLN 106 HA GLN 106 11.264 7.287 -16.073 791 HB2 GLN 106 1HB GLN 106 10.911 8.701 -18.738 792 HB3 GLN 106 2HB GLN 106 11.954 9.360 -17.493 793 HG2 GLN 106 1HG GLN 106 13.589 7.835 -17.919 794 HG3 GLN 106 2HG GLN 106 12.461 6.495 -17.856 795 HE21 GLN 106 1HE2 GLN 106 14.467 6.394 -19.623 796 HE22 GLN 106 2HE2 GLN 106 13.915 6.600 -21.252 797 H ARG 107 H ARG 107 8.883 7.432 -14.921 798 HA ARG 107 HA ARG 107 8.453 10.296 -14.660 799 HB2 ARG 107 1HB ARG 107 6.490 8.121 -15.214 800 HB3 ARG 107 2HB ARG 107 6.006 9.204 -13.925 801 HG2 ARG 107 1HG ARG 107 6.977 10.217 -16.633 802 HG3 ARG 107 2HG ARG 107 5.290 9.872 -16.309 803 HD2 ARG 107 1HD ARG 107 5.437 11.472 -14.313 804 HD3 ARG 107 2HD ARG 107 7.043 11.912 -14.860 805 HE ARG 107 HE ARG 107 5.319 12.173 -17.097 806 HH11 ARG 107 2HH2 ARG 107 5.749 13.646 -13.930 807 HH12 ARG 107 1HH2 ARG 107 5.107 15.180 -14.415 808 HH21 ARG 107 2HH1 ARG 107 4.472 14.196 -17.737 809 HH22 ARG 107 1HH1 ARG 107 4.376 15.495 -16.595 810 H PHE 108 H PHE 108 7.994 11.027 -12.480 811 HA PHE 108 HA PHE 108 8.071 8.963 -10.420 812 HB2 PHE 108 1HB PHE 108 9.757 11.534 -10.482 813 HB3 PHE 108 2HB PHE 108 9.844 10.284 -9.257 814 HD1 PHE 108 1HD PHE 108 10.017 7.815 -10.732 815 HD2 PHE 108 2HD PHE 108 11.755 11.580 -11.630 816 HE1 PHE 108 1HE PHE 108 11.833 6.667 -12.030 817 HE2 PHE 108 2HE PHE 108 13.571 10.432 -12.928 818 HZ PHE 108 HZ PHE 108 13.589 7.989 -13.113 819 H GLU 109 H GLU 109 6.814 9.436 -8.619 820 HA GLU 109 HA GLU 109 5.689 12.126 -8.584 821 HB2 GLU 109 1HB GLU 109 4.225 9.500 -8.074 822 HB3 GLU 109 2HB GLU 109 3.533 11.085 -7.791 823 HG2 GLU 109 1HG GLU 109 4.135 11.592 -10.281 824 HG3 GLU 109 2HG GLU 109 4.377 9.864 -10.448 825 H CYS 110 H CYS 110 5.559 13.121 -6.554 826 HA CYS 110 HA CYS 110 6.681 11.526 -4.371 827 HB2 CYS 110 1HB CYS 110 8.092 13.420 -5.012 828 HB3 CYS 110 2HB CYS 110 6.750 14.529 -4.812 829 HG CYS 110 HG CYS 110 6.997 12.575 -2.313 830 H HIS 111 H HIS 111 5.392 11.199 -2.561 831 HA HIS 111 HA HIS 111 2.856 12.668 -2.541 832 HB2 HIS 111 1HB HIS 111 3.491 9.872 -1.559 833 HB3 HIS 111 2HB HIS 111 1.963 10.690 -1.301 834 HD1 HIS 111 1HD HIS 111 0.268 10.681 -3.211 835 HD2 HIS 111 2HD HIS 111 4.033 9.210 -4.335 836 HE1 HIS 111 1HE HIS 111 -0.023 9.673 -5.537 837 H VAL 112 H VAL 112 3.048 14.333 -1.112 838 HA VAL 112 HA VAL 112 4.752 14.021 1.194 839 HB VAL 112 HB VAL 112 3.029 16.296 0.194 840 HG11 VAL 112 1HG1 VAL 112 5.010 17.336 1.857 841 HG12 VAL 112 2HG1 VAL 112 3.279 17.175 2.236 842 HG13 VAL 112 3HG1 VAL 112 4.419 15.899 2.727 843 HG21 VAL 112 1HG2 VAL 112 4.960 15.623 -1.261 844 HG22 VAL 112 2HG2 VAL 112 5.063 17.283 -0.626 845 HG23 VAL 112 3HG2 VAL 112 6.046 15.989 0.101 846 H PHE 113 H PHE 113 4.073 13.943 3.362 847 HA PHE 113 HA PHE 113 1.213 13.928 3.851 848 HB2 PHE 113 1HB PHE 113 3.190 11.660 4.507 849 HB3 PHE 113 2HB PHE 113 1.532 11.703 5.072 850 HD1 PHE 113 1HD PHE 113 -0.325 11.692 3.310 851 HD2 PHE 113 2HD PHE 113 3.711 10.724 2.424 852 HE1 PHE 113 1HE PHE 113 -1.067 10.507 1.225 853 HE2 PHE 113 2HE PHE 113 2.969 9.539 0.339 854 HZ PHE 113 HZ PHE 113 0.589 9.444 -0.235 855 H TRP 114 H TRP 114 0.797 13.686 6.314 856 HA TRP 114 HA TRP 114 3.008 14.997 7.747 857 HB2 TRP 114 1HB TRP 114 1.167 16.541 7.274 858 HB3 TRP 114 2HB TRP 114 0.035 15.454 8.054 859 HD1 TRP 114 HD TRP 114 0.558 15.065 10.836 860 HE1 TRP 114 1HE TRP 114 1.359 16.762 12.692 861 HE3 TRP 114 3HE TRP 114 2.496 18.487 7.613 862 HZ2 TRP 114 2HZ TRP 114 2.684 19.288 12.605 863 HZ3 TRP 114 3HZ TRP 114 3.525 20.541 8.581 864 HH2 TRP 114 HH TRP 114 3.637 20.969 10.985 865 H CYS 115 H CYS 115 3.887 13.494 9.110 866 HA CYS 115 HA CYS 115 2.074 11.488 10.211 867 HB2 CYS 115 1HB CYS 115 5.087 11.366 10.367 868 HB3 CYS 115 2HB CYS 115 3.927 10.059 10.500 869 HG CYS 115 HG CYS 115 4.490 11.984 7.861 870 H GLU 116 H GLU 116 2.127 11.089 12.542 871 HA GLU 116 HA GLU 116 3.524 13.126 14.062 872 HB2 GLU 116 1HB GLU 116 0.562 12.456 14.352 873 HB3 GLU 116 2HB GLU 116 1.465 13.434 15.491 874 HG2 GLU 116 1HG GLU 116 1.791 15.196 13.926 875 HG3 GLU 116 2HG GLU 116 1.484 14.160 12.547 876 HA PRO 117 HA PRO 117 3.457 13.582 16.088 877 HB2 PRO 117 1HB PRO 117 5.475 13.554 17.929 878 HB3 PRO 117 2HB PRO 117 3.780 13.473 18.365 879 HG2 PRO 117 1HG PRO 117 5.796 11.312 18.356 880 HG3 PRO 117 2HG PRO 117 4.246 11.363 19.172 881 HD2 PRO 117 1HD PRO 117 4.874 9.929 16.768 882 HD3 PRO 117 2HD PRO 117 3.298 10.076 17.520 883 H ASN 118 H ASN 118 5.511 11.316 14.778 884 HA ASN 118 HA ASN 118 6.827 13.431 13.367 885 HB2 ASN 118 1HB ASN 118 9.075 12.001 13.824 886 HB3 ASN 118 2HB ASN 118 8.600 13.318 14.878 887 HD21 ASN 118 1HD2 ASN 118 9.536 12.521 16.695 888 HD22 ASN 118 2HD2 ASN 118 8.985 11.121 17.551 889 H ALA 119 H ALA 119 8.160 12.428 11.489 890 HA ALA 119 HA ALA 119 6.767 10.047 10.565 891 HB1 ALA 119 1HB ALA 119 8.080 10.720 8.418 892 HB2 ALA 119 2HB ALA 119 6.742 11.763 8.955 893 HB3 ALA 119 3HB ALA 119 8.426 12.233 9.290 894 H ALA 120 H ALA 120 8.784 9.936 12.772 895 HA ALA 120 HA ALA 120 11.158 8.850 11.594 896 HB1 ALA 120 1HB ALA 120 10.370 9.905 14.080 897 HB2 ALA 120 2HB ALA 120 10.705 8.186 14.396 898 HB3 ALA 120 3HB ALA 120 11.958 9.217 13.665 899 H ASN 121 H ASN 121 8.159 7.607 13.173 900 HA ASN 121 HA ASN 121 9.032 4.933 13.024 901 HB2 ASN 121 1HB ASN 121 6.567 6.415 13.830 902 HB3 ASN 121 2HB ASN 121 6.260 4.803 13.214 903 HD21 ASN 121 1HD2 ASN 121 7.836 6.720 15.664 904 HD22 ASN 121 2HD2 ASN 121 8.155 5.457 16.805 905 H VAL 122 H VAL 122 6.831 7.105 11.138 906 HA VAL 122 HA VAL 122 5.853 5.183 9.375 907 HB VAL 122 HB VAL 122 6.171 8.165 9.345 908 HG11 VAL 122 1HG1 VAL 122 4.992 6.523 7.077 909 HG12 VAL 122 2HG1 VAL 122 4.973 8.297 7.216 910 HG13 VAL 122 3HG1 VAL 122 6.518 7.437 7.015 911 HG21 VAL 122 1HG2 VAL 122 4.371 7.531 10.692 912 HG22 VAL 122 2HG2 VAL 122 3.598 7.887 9.128 913 HG23 VAL 122 3HG2 VAL 122 3.899 6.199 9.609 914 H SER 123 H SER 123 8.374 7.713 8.678 915 HA SER 123 HA SER 123 9.208 6.789 6.325 916 HB2 SER 123 1HB SER 123 10.107 8.828 7.282 917 HB3 SER 123 2HB SER 123 10.849 7.956 8.609 918 HG SER 123 HG SER 123 11.640 7.079 6.049 919 H GLU 124 H GLU 124 10.198 5.589 9.586 920 HA GLU 124 HA GLU 124 12.128 3.825 8.643 921 HB2 GLU 124 1HB GLU 124 10.607 4.222 11.195 922 HB3 GLU 124 2HB GLU 124 11.376 2.662 10.979 923 HG2 GLU 124 1HG GLU 124 13.057 5.042 10.284 924 HG3 GLU 124 2HG GLU 124 12.663 4.862 11.982 925 H ALA 125 H ALA 125 8.676 3.279 9.647 926 HA ALA 125 HA ALA 125 8.549 0.589 9.135 927 HB1 ALA 125 1HB ALA 125 6.821 2.049 10.235 928 HB2 ALA 125 2HB ALA 125 6.366 2.647 8.621 929 HB3 ALA 125 3HB ALA 125 6.150 0.927 9.027 930 H VAL 126 H VAL 126 8.418 3.375 6.885 931 HA VAL 126 HA VAL 126 7.668 1.764 4.654 932 HB VAL 126 HB VAL 126 8.777 4.566 4.901 933 HG11 VAL 126 1HG1 VAL 126 8.757 4.814 2.665 934 HG12 VAL 126 2HG1 VAL 126 8.810 3.036 2.614 935 HG13 VAL 126 3HG1 VAL 126 7.251 3.884 2.478 936 HG21 VAL 126 1HG2 VAL 126 5.956 3.491 4.595 937 HG22 VAL 126 2HG2 VAL 126 6.631 4.404 5.966 938 HG23 VAL 126 3HG2 VAL 126 6.400 5.203 4.392 939 H GLN 127 H GLN 127 10.732 3.226 5.907 940 HA GLN 127 HA GLN 127 12.307 2.373 3.806 941 HB2 GLN 127 1HB GLN 127 12.984 2.929 6.724 942 HB3 GLN 127 2HB GLN 127 14.201 2.637 5.498 943 HG2 GLN 127 1HG GLN 127 12.295 4.619 4.529 944 HG3 GLN 127 2HG GLN 127 12.899 5.105 6.101 945 HE21 GLN 127 1HE2 GLN 127 14.181 6.742 5.467 946 HE22 GLN 127 2HE2 GLN 127 15.610 6.576 4.503 947 H ALA 128 H ALA 128 11.738 0.866 7.066 948 HA ALA 128 HA ALA 128 13.323 -1.311 6.878 949 HB1 ALA 128 1HB ALA 128 10.932 -0.499 8.320 950 HB2 ALA 128 2HB ALA 128 10.902 -2.247 7.984 951 HB3 ALA 128 3HB ALA 128 12.278 -1.532 8.857 952 H ALA 129 H ALA 129 10.359 -0.604 5.057 953 HA ALA 129 HA ALA 129 9.996 -3.280 4.148 954 HB1 ALA 129 1HB ALA 129 8.634 -0.749 4.049 955 HB2 ALA 129 2HB ALA 129 8.786 -1.379 2.392 956 HB3 ALA 129 3HB ALA 129 8.007 -2.366 3.651 957 H CYS 130 H CYS 130 11.353 -0.228 2.731 958 HA CYS 130 HA CYS 130 12.035 -1.385 0.291 959 HB2 CYS 130 1HB CYS 130 11.877 1.105 0.927 960 HB3 CYS 130 2HB CYS 130 13.506 0.939 1.549 961 HG CYS 130 HG CYS 130 12.300 0.474 -1.485 962 H SER 131 H SER 131 14.212 -0.392 3.045 963 HA SER 131 HA SER 131 16.183 -1.097 3.648 964 HB2 SER 131 1HB SER 131 16.403 -3.563 4.034 965 HB3 SER 131 2HB SER 131 14.887 -2.911 4.622 966 HG SER 131 HG SER 131 15.122 -4.078 1.991 967 H GLY 132 H GLY 132 17.504 -0.216 1.970 968 HA2 GLY 132 1HA GLY 132 19.196 -1.869 0.607 969 HA3 GLY 132 2HA GLY 132 17.874 -1.605 -0.513 970 HA PRO 133 HA PRO 133 19.943 2.101 -1.509 971 HB2 PRO 133 1HB PRO 133 18.182 3.059 -3.366 972 HB3 PRO 133 2HB PRO 133 19.419 1.876 -3.740 973 HG2 PRO 133 1HG PRO 133 16.510 1.473 -3.405 974 HG3 PRO 133 2HG PRO 133 17.681 0.425 -4.180 975 HD2 PRO 133 1HD PRO 133 16.521 0.076 -1.580 976 HD3 PRO 133 2HD PRO 133 17.777 -0.906 -2.307 977 H SER 134 H SER 134 20.060 3.341 0.304 978 HA SER 134 HA SER 134 17.661 4.965 0.657 979 HB2 SER 134 1HB SER 134 18.329 3.258 2.515 980 HB3 SER 134 2HB SER 134 19.649 4.354 2.871 981 HG SER 134 HG SER 134 18.289 5.659 3.880 982 H SER 135 H SER 135 21.229 4.870 1.404 983 HA SER 135 HA SER 135 21.256 7.741 0.985 984 HB2 SER 135 1HB SER 135 22.761 5.850 2.670 985 HB3 SER 135 2HB SER 135 23.817 6.957 1.817 986 HG SER 135 HG SER 135 21.564 8.200 2.936 987 H GLY 136 H GLY 136 22.803 8.718 -0.490 988 HA2 GLY 136 1HA GLY 136 24.215 6.864 -2.282 989 HA3 GLY 136 2HA GLY 136 23.061 7.994 -2.959 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -15.860 -27.237 -10.514 2 HA2 GLY 1 1HA GLY 1 -16.525 -29.774 -9.428 3 HA3 GLY 1 2HA GLY 1 -14.839 -29.404 -9.123 4 H SER 2 H SER 2 -14.572 -28.595 -7.092 5 HA SER 2 HA SER 2 -16.200 -26.341 -6.364 6 HB2 SER 2 1HB SER 2 -17.443 -28.319 -5.476 7 HB3 SER 2 2HB SER 2 -16.015 -28.818 -4.591 8 HG SER 2 HG SER 2 -17.396 -26.295 -4.230 9 H SER 3 H SER 3 -14.846 -24.802 -5.502 10 HA SER 3 HA SER 3 -12.718 -25.631 -3.795 11 HB2 SER 3 1HB SER 3 -12.074 -25.509 -6.470 12 HB3 SER 3 2HB SER 3 -11.714 -23.867 -5.976 13 HG SER 3 HG SER 3 -9.828 -24.975 -5.579 14 H GLY 4 H GLY 4 -11.528 -23.601 -2.917 15 HA2 GLY 4 1HA GLY 4 -13.024 -21.115 -3.249 16 HA3 GLY 4 2HA GLY 4 -13.067 -21.859 -1.663 17 H SER 5 H SER 5 -11.496 -19.547 -3.454 18 HA SER 5 HA SER 5 -9.492 -19.240 -1.552 19 HB2 SER 5 1HB SER 5 -8.459 -21.156 -2.779 20 HB3 SER 5 2HB SER 5 -8.525 -20.236 -4.269 21 HG SER 5 HG SER 5 -6.656 -19.371 -3.718 22 H SER 6 H SER 6 -8.578 -17.128 -1.721 23 HA SER 6 HA SER 6 -8.587 -15.698 -4.111 24 HB2 SER 6 1HB SER 6 -11.137 -15.809 -3.069 25 HB3 SER 6 2HB SER 6 -10.536 -14.350 -2.307 26 HG SER 6 HG SER 6 -9.766 -14.238 -4.891 27 H GLY 7 H GLY 7 -7.371 -13.749 -3.861 28 HA2 GLY 7 1HA GLY 7 -6.448 -12.007 -2.618 29 HA3 GLY 7 2HA GLY 7 -6.770 -12.873 -1.129 30 HA PRO 8 HA PRO 8 -2.873 -14.753 -3.102 31 HB2 PRO 8 1HB PRO 8 -1.724 -13.482 -5.231 32 HB3 PRO 8 2HB PRO 8 -2.802 -14.854 -5.401 33 HG2 PRO 8 1HG PRO 8 -3.344 -11.995 -5.921 34 HG3 PRO 8 2HG PRO 8 -4.235 -13.399 -6.474 35 HD2 PRO 8 1HD PRO 8 -4.981 -11.621 -4.350 36 HD3 PRO 8 2HD PRO 8 -5.809 -13.090 -4.827 37 H THR 9 H THR 9 -1.724 -14.396 -1.292 38 HA THR 9 HA THR 9 0.042 -12.097 -1.449 39 HB THR 9 HB THR 9 -2.169 -11.404 -0.297 40 HG1 THR 9 1HG THR 9 0.268 -11.530 1.330 41 HG21 THR 9 1HG2 THR 9 -2.463 -12.101 2.023 42 HG22 THR 9 2HG2 THR 9 -2.394 -13.585 1.041 43 HG23 THR 9 3HG2 THR 9 -0.969 -13.068 1.973 44 HA PRO 10 HA PRO 10 2.645 -15.086 0.229 45 HB2 PRO 10 1HB PRO 10 4.854 -13.537 0.657 46 HB3 PRO 10 2HB PRO 10 4.456 -14.227 -0.903 47 HG2 PRO 10 1HG PRO 10 4.179 -11.429 0.011 48 HG3 PRO 10 2HG PRO 10 4.196 -12.053 -1.627 49 HD2 PRO 10 1HD PRO 10 1.897 -11.198 -0.139 50 HD3 PRO 10 2HD PRO 10 1.903 -11.929 -1.732 51 H LYS 11 H LYS 11 0.758 -14.667 1.990 52 HA LYS 11 HA LYS 11 0.319 -14.637 4.152 53 HB2 LYS 11 1HB LYS 11 2.688 -16.060 3.885 54 HB3 LYS 11 2HB LYS 11 3.049 -14.930 5.174 55 HG2 LYS 11 1HG LYS 11 0.368 -16.264 5.314 56 HG3 LYS 11 2HG LYS 11 1.755 -17.303 5.574 57 HD2 LYS 11 1HD LYS 11 2.389 -16.217 7.539 58 HD3 LYS 11 2HD LYS 11 1.750 -14.669 7.023 59 HE2 LYS 11 1HE LYS 11 -0.469 -15.223 7.632 60 HE3 LYS 11 2HE LYS 11 -0.178 -16.948 7.531 61 HZ1 LYS 11 1HZ LYS 11 -0.057 -16.687 9.740 62 HZ2 LYS 11 2HZ LYS 11 1.505 -16.322 9.435 63 HZ3 LYS 11 3HZ LYS 11 0.420 -15.127 9.683 64 H THR 12 H THR 12 -0.373 -12.799 5.090 65 HA THR 12 HA THR 12 1.192 -10.407 4.873 66 HB THR 12 HB THR 12 -0.815 -9.395 5.868 67 HG1 THR 12 1HG THR 12 -1.785 -12.119 6.198 68 HG21 THR 12 1HG2 THR 12 -1.073 -10.343 3.491 69 HG22 THR 12 2HG2 THR 12 -1.782 -11.795 4.237 70 HG23 THR 12 3HG2 THR 12 -2.589 -10.219 4.415 71 H GLU 13 H GLU 13 2.608 -9.542 6.263 72 HA GLU 13 HA GLU 13 2.791 -10.891 8.839 73 HB2 GLU 13 1HB GLU 13 4.885 -9.424 7.183 74 HB3 GLU 13 2HB GLU 13 5.166 -9.933 8.836 75 HG2 GLU 13 1HG GLU 13 4.396 -12.307 8.009 76 HG3 GLU 13 2HG GLU 13 4.663 -11.673 6.397 77 H LEU 14 H LEU 14 0.897 -9.408 9.427 78 HA LEU 14 HA LEU 14 0.100 -7.657 10.507 79 HB2 LEU 14 1HB LEU 14 2.397 -8.231 11.739 80 HB3 LEU 14 2HB LEU 14 2.795 -6.610 11.205 81 HG LEU 14 HG LEU 14 0.174 -6.974 12.580 82 HD11 LEU 14 1HD1 LEU 14 2.542 -6.647 14.361 83 HD12 LEU 14 2HD1 LEU 14 0.944 -7.361 14.686 84 HD13 LEU 14 3HD1 LEU 14 2.161 -8.282 13.771 85 HD21 LEU 14 1HD2 LEU 14 1.237 -4.800 11.631 86 HD22 LEU 14 2HD2 LEU 14 0.446 -4.768 13.225 87 HD23 LEU 14 3HD2 LEU 14 2.221 -4.839 13.114 88 H VAL 15 H VAL 15 -0.242 -5.292 10.388 89 HA VAL 15 HA VAL 15 1.068 -4.118 8.039 90 HB VAL 15 HB VAL 15 -1.882 -4.096 8.709 91 HG11 VAL 15 1HG1 VAL 15 -1.494 -3.055 6.138 92 HG12 VAL 15 2HG1 VAL 15 -1.967 -2.158 7.600 93 HG13 VAL 15 3HG1 VAL 15 -0.251 -2.270 7.142 94 HG21 VAL 15 1HG2 VAL 15 -1.559 -5.029 6.117 95 HG22 VAL 15 2HG2 VAL 15 -0.218 -5.795 7.002 96 HG23 VAL 15 3HG2 VAL 15 -1.894 -6.019 7.558 97 H GLN 16 H GLN 16 1.359 -1.831 8.131 98 HA GLN 16 HA GLN 16 0.923 -0.787 10.821 99 HB2 GLN 16 1HB GLN 16 3.223 -0.523 8.891 100 HB3 GLN 16 2HB GLN 16 2.894 0.816 9.972 101 HG2 GLN 16 1HG GLN 16 3.386 -0.426 11.901 102 HG3 GLN 16 2HG GLN 16 2.967 -1.957 11.157 103 HE21 GLN 16 1HE2 GLN 16 5.328 0.663 11.199 104 HE22 GLN 16 2HE2 GLN 16 6.702 -0.249 10.668 105 H LYS 17 H LYS 17 -0.800 0.595 10.810 106 HA LYS 17 HA LYS 17 -1.102 2.300 8.438 107 HB2 LYS 17 1HB LYS 17 -3.063 0.891 10.199 108 HB3 LYS 17 2HB LYS 17 -3.524 2.454 9.555 109 HG2 LYS 17 1HG LYS 17 -3.222 1.717 7.271 110 HG3 LYS 17 2HG LYS 17 -2.382 0.264 7.773 111 HD2 LYS 17 1HD LYS 17 -5.300 0.869 8.447 112 HD3 LYS 17 2HD LYS 17 -4.792 -0.123 7.094 113 HE2 LYS 17 1HE LYS 17 -4.358 -1.927 8.429 114 HE3 LYS 17 2HE LYS 17 -3.510 -0.958 9.618 115 HZ1 LYS 17 1HZ LYS 17 -5.391 -0.615 10.776 116 HZ2 LYS 17 2HZ LYS 17 -6.376 -0.626 9.474 117 HZ3 LYS 17 3HZ LYS 17 -5.831 -2.033 10.097 118 H PHE 18 H PHE 18 -0.738 4.440 8.689 119 HA PHE 18 HA PHE 18 -0.879 5.475 11.431 120 HB2 PHE 18 1HB PHE 18 1.105 5.992 9.138 121 HB3 PHE 18 2HB PHE 18 1.061 6.978 10.586 122 HD1 PHE 18 2HD PHE 18 1.309 5.663 12.848 123 HD2 PHE 18 1HD PHE 18 2.520 4.160 9.069 124 HE1 PHE 18 2HE PHE 18 2.872 4.062 13.986 125 HE2 PHE 18 1HE PHE 18 4.082 2.558 10.206 126 HZ PHE 18 HZ PHE 18 4.240 2.529 12.651 127 H ARG 19 H ARG 19 -2.486 6.962 11.577 128 HA ARG 19 HA ARG 19 -3.705 7.998 9.313 129 HB2 ARG 19 1HB ARG 19 -4.487 7.762 11.864 130 HB3 ARG 19 2HB ARG 19 -3.879 9.400 11.995 131 HG2 ARG 19 1HG ARG 19 -5.423 9.318 9.589 132 HG3 ARG 19 2HG ARG 19 -6.363 8.467 10.798 133 HD2 ARG 19 1HD ARG 19 -5.315 10.764 12.126 134 HD3 ARG 19 2HD ARG 19 -5.852 11.333 10.558 135 HE ARG 19 HE ARG 19 -8.057 10.999 11.242 136 HH11 ARG 19 2HH2 ARG 19 -5.947 9.014 13.240 137 HH12 ARG 19 1HH2 ARG 19 -7.224 8.476 14.278 138 HH21 ARG 19 2HH1 ARG 19 -9.743 10.289 12.612 139 HH22 ARG 19 1HH1 ARG 19 -9.398 9.206 13.919 140 H VAL 20 H VAL 20 -2.496 9.291 7.914 141 HA VAL 20 HA VAL 20 -1.242 11.648 9.137 142 HB VAL 20 HB VAL 20 0.571 11.497 7.608 143 HG11 VAL 20 1HG1 VAL 20 1.686 9.963 8.808 144 HG12 VAL 20 2HG1 VAL 20 0.138 9.665 9.634 145 HG13 VAL 20 3HG1 VAL 20 0.629 8.639 8.264 146 HG21 VAL 20 1HG2 VAL 20 -0.228 10.764 5.564 147 HG22 VAL 20 2HG2 VAL 20 0.667 9.330 6.123 148 HG23 VAL 20 3HG2 VAL 20 -1.105 9.388 6.276 149 H GLN 21 H GLN 21 -1.129 13.540 7.641 150 HA GLN 21 HA GLN 21 -3.586 13.632 6.154 151 HB2 GLN 21 1HB GLN 21 -1.645 15.649 7.257 152 HB3 GLN 21 2HB GLN 21 -2.641 16.140 5.902 153 HG2 GLN 21 1HG GLN 21 -4.690 15.405 7.176 154 HG3 GLN 21 2HG GLN 21 -3.671 14.996 8.542 155 HE21 GLN 21 1HE2 GLN 21 -5.596 17.306 7.216 156 HE22 GLN 21 2HE2 GLN 21 -5.033 18.726 8.033 157 H TYR 22 H TYR 22 -3.759 14.036 3.906 158 HA TYR 22 HA TYR 22 -1.328 13.414 2.426 159 HB2 TYR 22 1HB TYR 22 -3.787 12.386 2.258 160 HB3 TYR 22 2HB TYR 22 -4.194 13.877 1.432 161 HD1 TYR 22 1HD TYR 22 -0.948 13.489 0.463 162 HD2 TYR 22 2HD TYR 22 -4.735 11.572 -0.075 163 HE1 TYR 22 1HE TYR 22 -0.140 12.492 -1.732 164 HE2 TYR 22 2HE TYR 22 -3.914 10.582 -2.268 165 HH TYR 22 HH TYR 22 -1.683 11.631 -3.993 166 H LEU 23 H LEU 23 -0.089 15.255 2.159 167 HA LEU 23 HA LEU 23 -1.198 17.811 1.835 168 HB2 LEU 23 1HB LEU 23 1.489 16.557 1.565 169 HB3 LEU 23 2HB LEU 23 1.245 18.129 0.830 170 HG LEU 23 HG LEU 23 0.185 18.502 3.349 171 HD11 LEU 23 1HD1 LEU 23 2.481 17.589 4.560 172 HD12 LEU 23 2HD1 LEU 23 0.874 16.832 4.662 173 HD13 LEU 23 3HD1 LEU 23 2.057 16.252 3.465 174 HD21 LEU 23 1HD2 LEU 23 1.975 19.743 1.803 175 HD22 LEU 23 2HD2 LEU 23 1.770 20.116 3.532 176 HD23 LEU 23 3HD2 LEU 23 3.090 19.045 3.003 177 H GLY 24 H GLY 24 0.067 15.367 -0.514 178 HA2 GLY 24 1HA GLY 24 -1.659 15.525 -2.498 179 HA3 GLY 24 2HA GLY 24 -0.820 17.044 -2.737 180 H MET 25 H MET 25 -0.407 15.728 -4.877 181 HA MET 25 HA MET 25 2.067 14.232 -4.465 182 HB2 MET 25 1HB MET 25 -0.092 13.029 -5.387 183 HB3 MET 25 2HB MET 25 0.193 13.933 -6.861 184 HG2 MET 25 1HG MET 25 2.611 12.972 -6.795 185 HG3 MET 25 2HG MET 25 2.025 11.870 -5.566 186 HE1 MET 25 1HE MET 25 1.054 12.141 -9.961 187 HE2 MET 25 2HE MET 25 -0.196 12.980 -9.010 188 HE3 MET 25 3HE MET 25 1.513 13.449 -8.844 189 H LEU 26 H LEU 26 3.755 15.552 -5.016 190 HA LEU 26 HA LEU 26 3.350 17.316 -7.325 191 HB2 LEU 26 1HB LEU 26 3.908 18.191 -4.955 192 HB3 LEU 26 2HB LEU 26 5.526 17.600 -5.275 193 HG LEU 26 HG LEU 26 4.392 19.302 -7.410 194 HD11 LEU 26 1HD1 LEU 26 4.960 21.391 -6.065 195 HD12 LEU 26 2HD1 LEU 26 3.425 20.574 -5.684 196 HD13 LEU 26 3HD1 LEU 26 4.835 20.362 -4.618 197 HD21 LEU 26 1HD2 LEU 26 6.826 18.327 -6.951 198 HD22 LEU 26 2HD2 LEU 26 6.561 19.883 -7.773 199 HD23 LEU 26 3HD2 LEU 26 6.983 19.850 -6.044 200 HA PRO 27 HA PRO 27 6.154 14.730 -9.392 201 HB2 PRO 27 1HB PRO 27 6.390 16.166 -11.705 202 HB3 PRO 27 2HB PRO 27 5.073 15.051 -11.400 203 HG2 PRO 27 1HG PRO 27 5.050 18.007 -11.346 204 HG3 PRO 27 2HG PRO 27 3.696 16.900 -11.467 205 HD2 PRO 27 1HD PRO 27 4.526 18.349 -9.134 206 HD3 PRO 27 2HD PRO 27 3.246 17.156 -9.227 207 H VAL 28 H VAL 28 8.349 14.513 -10.100 208 HA VAL 28 HA VAL 28 9.921 16.914 -9.592 209 HB VAL 28 HB VAL 28 11.427 15.748 -8.114 210 HG11 VAL 28 1HG1 VAL 28 8.723 15.169 -6.930 211 HG12 VAL 28 2HG1 VAL 28 10.160 15.902 -6.177 212 HG13 VAL 28 3HG1 VAL 28 9.180 16.842 -7.328 213 HG21 VAL 28 1HG2 VAL 28 11.194 13.511 -7.398 214 HG22 VAL 28 2HG2 VAL 28 9.544 13.382 -8.053 215 HG23 VAL 28 3HG2 VAL 28 10.937 13.459 -9.158 216 H ASP 29 H ASP 29 11.789 17.035 -10.860 217 HA ASP 29 HA ASP 29 11.760 15.382 -13.126 218 HB2 ASP 29 1HB ASP 29 13.233 17.740 -12.127 219 HB3 ASP 29 2HB ASP 29 14.257 16.673 -13.067 220 H ARG 30 H ARG 30 13.890 15.775 -10.217 221 HA ARG 30 HA ARG 30 15.554 13.624 -11.097 222 HB2 ARG 30 1HB ARG 30 15.545 15.531 -8.738 223 HB3 ARG 30 2HB ARG 30 16.536 14.088 -8.658 224 HG2 ARG 30 1HG ARG 30 17.336 14.879 -11.085 225 HG3 ARG 30 2HG ARG 30 16.763 16.443 -10.541 226 HD2 ARG 30 1HD ARG 30 18.191 15.995 -8.386 227 HD3 ARG 30 2HD ARG 30 18.959 14.726 -9.321 228 HE ARG 30 HE ARG 30 18.894 17.192 -10.834 229 HH11 ARG 30 2HH2 ARG 30 20.578 15.597 -8.187 230 HH12 ARG 30 1HH2 ARG 30 22.043 16.494 -8.410 231 HH21 ARG 30 2HH1 ARG 30 20.826 18.375 -11.128 232 HH22 ARG 30 1HH1 ARG 30 22.185 18.085 -10.094 233 HA PRO 31 HA PRO 31 13.230 10.662 -8.858 234 HB2 PRO 31 1HB PRO 31 14.879 8.505 -9.170 235 HB3 PRO 31 2HB PRO 31 13.724 9.012 -10.386 236 HG2 PRO 31 1HG PRO 31 16.661 9.347 -10.367 237 HG3 PRO 31 2HG PRO 31 15.553 9.451 -11.721 238 HD2 PRO 31 1HD PRO 31 16.787 11.642 -10.341 239 HD3 PRO 31 2HD PRO 31 15.591 11.747 -11.618 240 H VAL 32 H VAL 32 16.376 11.658 -8.029 241 HA VAL 32 HA VAL 32 15.807 10.775 -5.293 242 HB VAL 32 HB VAL 32 18.123 10.155 -4.993 243 HG11 VAL 32 1HG1 VAL 32 16.851 8.284 -5.561 244 HG12 VAL 32 2HG1 VAL 32 16.601 8.834 -7.236 245 HG13 VAL 32 3HG1 VAL 32 18.193 8.218 -6.729 246 HG21 VAL 32 1HG2 VAL 32 18.889 10.115 -7.827 247 HG22 VAL 32 2HG2 VAL 32 18.648 11.757 -7.181 248 HG23 VAL 32 3HG2 VAL 32 19.803 10.653 -6.397 249 H GLY 33 H GLY 33 17.461 12.000 -3.752 250 HA2 GLY 33 1HA GLY 33 18.778 14.018 -3.556 251 HA3 GLY 33 2HA GLY 33 17.734 14.773 -4.744 252 H MET 34 H MET 34 18.421 15.165 -1.679 253 HA MET 34 HA MET 34 15.842 14.853 -0.498 254 HB2 MET 34 1HB MET 34 18.557 15.942 0.347 255 HB3 MET 34 2HB MET 34 17.160 16.281 1.349 256 HG2 MET 34 1HG MET 34 16.981 13.506 0.760 257 HG3 MET 34 2HG MET 34 18.679 13.790 1.088 258 HE1 MET 34 1HE MET 34 15.323 15.343 2.265 259 HE2 MET 34 2HE MET 34 15.075 13.609 2.584 260 HE3 MET 34 3HE MET 34 15.192 14.756 3.940 261 H ASP 35 H ASP 35 17.870 17.500 -1.839 262 HA ASP 35 HA ASP 35 16.591 19.664 -0.911 263 HB2 ASP 35 1HB ASP 35 18.187 18.967 -3.258 264 HB3 ASP 35 2HB ASP 35 16.980 20.160 -3.694 265 H THR 36 H THR 36 15.861 17.994 -4.080 266 HA THR 36 HA THR 36 13.534 19.383 -4.656 267 HB THR 36 HB THR 36 14.687 16.664 -5.393 268 HG1 THR 36 1HG THR 36 13.972 19.133 -6.810 269 HG21 THR 36 1HG2 THR 36 12.469 16.109 -5.918 270 HG22 THR 36 2HG2 THR 36 11.967 17.813 -6.031 271 HG23 THR 36 3HG2 THR 36 12.884 17.066 -7.361 272 H LEU 37 H LEU 37 14.003 16.385 -2.715 273 HA LEU 37 HA LEU 37 11.384 15.683 -2.391 274 HB2 LEU 37 1HB LEU 37 13.309 14.379 -1.654 275 HB3 LEU 37 2HB LEU 37 13.643 15.546 -0.390 276 HG LEU 37 HG LEU 37 11.095 14.926 0.258 277 HD11 LEU 37 1HD1 LEU 37 11.788 12.964 -1.688 278 HD12 LEU 37 2HD1 LEU 37 11.689 12.162 -0.102 279 HD13 LEU 37 3HD1 LEU 37 10.304 13.099 -0.714 280 HD21 LEU 37 1HD2 LEU 37 13.647 14.495 1.304 281 HD22 LEU 37 2HD2 LEU 37 12.090 14.303 2.145 282 HD23 LEU 37 3HD2 LEU 37 12.856 12.902 1.360 283 H ASN 38 H ASN 38 13.302 17.869 -0.206 284 HA ASN 38 HA ASN 38 11.116 18.571 1.325 285 HB2 ASN 38 1HB ASN 38 13.609 20.247 0.719 286 HB3 ASN 38 2HB ASN 38 12.551 20.463 2.099 287 HD21 ASN 38 1HD2 ASN 38 15.372 19.145 1.055 288 HD22 ASN 38 2HD2 ASN 38 15.640 17.923 2.252 289 H SER 39 H SER 39 12.836 20.327 -1.372 290 HA SER 39 HA SER 39 11.449 22.572 -1.531 291 HB2 SER 39 1HB SER 39 13.263 21.418 -3.124 292 HB3 SER 39 2HB SER 39 11.859 21.069 -4.113 293 HG SER 39 HG SER 39 11.630 23.647 -3.371 294 H ALA 40 H ALA 40 10.416 19.384 -2.921 295 HA ALA 40 HA ALA 40 8.065 20.261 -4.099 296 HB1 ALA 40 1HB ALA 40 7.418 17.762 -3.615 297 HB2 ALA 40 2HB ALA 40 8.784 18.118 -4.699 298 HB3 ALA 40 3HB ALA 40 9.089 17.637 -3.013 299 H ILE 41 H ILE 41 8.642 18.874 -0.791 300 HA ILE 41 HA ILE 41 6.055 18.970 0.105 301 HB ILE 41 HB ILE 41 8.660 19.379 1.571 302 HG12 ILE 41 1HG1 ILE 41 6.921 16.919 1.222 303 HG13 ILE 41 2HG1 ILE 41 8.408 17.239 0.351 304 HG21 ILE 41 1HG2 ILE 41 6.570 18.308 3.224 305 HG22 ILE 41 2HG2 ILE 41 7.569 19.761 3.462 306 HG23 ILE 41 3HG2 ILE 41 6.051 19.866 2.539 307 HD11 ILE 41 1HD1 ILE 41 8.163 17.006 3.387 308 HD12 ILE 41 2HD1 ILE 41 8.815 15.758 2.298 309 HD13 ILE 41 3HD1 ILE 41 9.671 17.307 2.491 310 H GLU 42 H GLU 42 8.579 21.503 0.783 311 HA GLU 42 HA GLU 42 7.069 23.345 1.920 312 HB2 GLU 42 1HB GLU 42 9.408 23.471 0.063 313 HB3 GLU 42 2HB GLU 42 8.564 24.984 0.325 314 HG2 GLU 42 1HG GLU 42 8.717 24.432 2.867 315 HG3 GLU 42 2HG GLU 42 9.874 23.197 2.413 316 H ASN 43 H ASN 43 7.143 22.593 -1.595 317 HA ASN 43 HA ASN 43 5.672 24.754 -2.445 318 HB2 ASN 43 1HB ASN 43 6.803 22.482 -3.611 319 HB3 ASN 43 2HB ASN 43 5.091 22.181 -3.834 320 HD21 ASN 43 1HD2 ASN 43 7.377 22.958 -5.640 321 HD22 ASN 43 2HD2 ASN 43 6.809 24.313 -6.558 322 H LEU 44 H LEU 44 4.581 21.308 -1.898 323 HA LEU 44 HA LEU 44 1.875 21.786 -2.145 324 HB2 LEU 44 1HB LEU 44 3.607 19.674 -1.017 325 HB3 LEU 44 2HB LEU 44 1.960 19.702 -0.418 326 HG LEU 44 HG LEU 44 2.752 19.540 -3.339 327 HD11 LEU 44 1HD1 LEU 44 3.147 17.540 -1.650 328 HD12 LEU 44 2HD1 LEU 44 1.402 17.298 -1.900 329 HD13 LEU 44 3HD1 LEU 44 2.512 17.270 -3.291 330 HD21 LEU 44 1HD2 LEU 44 0.056 19.504 -1.970 331 HD22 LEU 44 2HD2 LEU 44 0.647 20.628 -3.218 332 HD23 LEU 44 3HD2 LEU 44 0.321 18.928 -3.633 333 H MET 45 H MET 45 4.013 21.931 0.763 334 HA MET 45 HA MET 45 2.276 22.194 2.734 335 HB2 MET 45 1HB MET 45 4.950 23.273 2.082 336 HB3 MET 45 2HB MET 45 4.091 24.338 3.177 337 HG2 MET 45 1HG MET 45 3.643 21.661 4.115 338 HG3 MET 45 2HG MET 45 5.353 21.788 3.754 339 HE1 MET 45 1HE MET 45 4.579 22.412 7.677 340 HE2 MET 45 2HE MET 45 3.851 21.324 6.471 341 HE3 MET 45 3HE MET 45 5.622 21.432 6.618 342 H THR 46 H THR 46 3.354 25.009 0.691 343 HA THR 46 HA THR 46 1.376 26.726 1.836 344 HB THR 46 HB THR 46 2.409 28.369 0.425 345 HG1 THR 46 1HG THR 46 3.280 25.988 -1.060 346 HG21 THR 46 1HG2 THR 46 4.578 28.186 1.148 347 HG22 THR 46 2HG2 THR 46 4.095 26.629 1.862 348 HG23 THR 46 3HG2 THR 46 4.819 26.676 0.237 349 H SER 47 H SER 47 1.625 24.679 -1.085 350 HA SER 47 HA SER 47 -0.297 25.652 -2.630 351 HB2 SER 47 1HB SER 47 1.035 23.568 -3.042 352 HB3 SER 47 2HB SER 47 0.018 22.705 -1.905 353 HG SER 47 HG SER 47 -0.437 22.823 -4.441 354 H SER 48 H SER 48 -1.079 22.954 -0.315 355 HA SER 48 HA SER 48 -3.714 24.166 -0.065 356 HB2 SER 48 1HB SER 48 -2.736 21.304 0.266 357 HB3 SER 48 2HB SER 48 -4.318 21.811 0.825 358 HG SER 48 HG SER 48 -4.779 21.169 -1.216 359 H SER 49 H SER 49 -4.709 24.266 2.092 360 HA SER 49 HA SER 49 -2.905 25.088 4.032 361 HB2 SER 49 1HB SER 49 -5.857 24.351 4.199 362 HB3 SER 49 2HB SER 49 -4.973 25.065 5.533 363 HG SER 49 HG SER 49 -5.743 26.861 4.557 364 H LYS 50 H LYS 50 -3.225 24.113 6.453 365 HA LYS 50 HA LYS 50 -2.100 21.522 6.332 366 HB2 LYS 50 1HB LYS 50 -1.263 22.733 8.090 367 HB3 LYS 50 2HB LYS 50 -2.794 23.506 8.450 368 HG2 LYS 50 1HG LYS 50 -3.661 21.533 9.534 369 HG3 LYS 50 2HG LYS 50 -2.388 20.520 8.881 370 HD2 LYS 50 1HD LYS 50 -0.729 22.018 10.203 371 HD3 LYS 50 2HD LYS 50 -2.133 22.667 11.026 372 HE2 LYS 50 1HE LYS 50 -1.659 19.665 10.873 373 HE3 LYS 50 2HE LYS 50 -0.894 20.637 12.114 374 HZ1 LYS 50 1HZ LYS 50 -3.743 20.976 11.718 375 HZ2 LYS 50 2HZ LYS 50 -3.241 19.605 12.450 376 HZ3 LYS 50 3HZ LYS 50 -2.869 21.059 13.095 377 H GLU 51 H GLU 51 -5.273 22.801 7.549 378 HA GLU 51 HA GLU 51 -6.250 20.256 8.136 379 HB2 GLU 51 1HB GLU 51 -7.661 22.906 7.613 380 HB3 GLU 51 2HB GLU 51 -8.499 21.468 8.162 381 HG2 GLU 51 1HG GLU 51 -7.599 21.576 10.291 382 HG3 GLU 51 2HG GLU 51 -6.058 22.193 9.729 383 H ASP 52 H ASP 52 -6.248 22.286 5.197 384 HA ASP 52 HA ASP 52 -8.224 21.159 3.764 385 HB2 ASP 52 1HB ASP 52 -5.744 22.602 3.231 386 HB3 ASP 52 2HB ASP 52 -6.010 21.409 1.975 387 H TRP 53 H TRP 53 -5.125 19.794 4.789 388 HA TRP 53 HA TRP 53 -5.017 17.721 2.841 389 HB2 TRP 53 1HB TRP 53 -3.643 17.826 5.527 390 HB3 TRP 53 2HB TRP 53 -3.192 16.867 4.131 391 HD1 TRP 53 HD TRP 53 -3.399 19.302 1.941 392 HE1 TRP 53 1HE TRP 53 -1.545 21.176 1.822 393 HE3 TRP 53 3HE TRP 53 -1.657 18.614 6.668 394 HZ2 TRP 53 2HZ TRP 53 0.399 22.139 3.677 395 HZ3 TRP 53 3HZ TRP 53 0.221 20.063 7.436 396 HH2 TRP 53 HH TRP 53 1.244 21.777 6.025 397 HA PRO 54 HA PRO 54 -8.050 15.292 4.861 398 HB2 PRO 54 1HB PRO 54 -8.056 13.187 3.118 399 HB3 PRO 54 2HB PRO 54 -8.989 14.648 2.860 400 HG2 PRO 54 1HG PRO 54 -6.493 13.785 1.532 401 HG3 PRO 54 2HG PRO 54 -7.652 14.992 1.013 402 HD2 PRO 54 1HD PRO 54 -5.091 15.475 2.211 403 HD3 PRO 54 2HD PRO 54 -6.297 16.676 1.798 404 H SER 55 H SER 55 -8.235 13.647 6.364 405 HA SER 55 HA SER 55 -5.686 12.751 7.219 406 HB2 SER 55 1HB SER 55 -6.828 12.788 9.166 407 HB3 SER 55 2HB SER 55 -8.346 12.996 8.317 408 HG SER 55 HG SER 55 -8.623 11.068 9.359 409 H VAL 56 H VAL 56 -4.697 11.169 5.982 410 HA VAL 56 HA VAL 56 -6.381 8.892 5.198 411 HB VAL 56 HB VAL 56 -4.881 8.550 3.362 412 HG11 VAL 56 1HG1 VAL 56 -5.443 10.411 2.009 413 HG12 VAL 56 2HG1 VAL 56 -6.730 10.304 3.233 414 HG13 VAL 56 3HG1 VAL 56 -5.444 11.524 3.398 415 HG21 VAL 56 1HG2 VAL 56 -2.846 9.401 4.701 416 HG22 VAL 56 2HG2 VAL 56 -2.892 9.726 2.951 417 HG23 VAL 56 3HG2 VAL 56 -3.304 11.016 4.107 418 H ASN 57 H ASN 57 -5.206 6.750 5.181 419 HA ASN 57 HA ASN 57 -3.380 6.718 7.452 420 HB2 ASN 57 1HB ASN 57 -5.484 4.761 6.452 421 HB3 ASN 57 2HB ASN 57 -4.159 4.173 7.437 422 HD21 ASN 57 1HD2 ASN 57 -7.236 5.280 7.494 423 HD22 ASN 57 2HD2 ASN 57 -7.367 5.857 9.122 424 H MET 58 H MET 58 -1.340 5.722 7.128 425 HA MET 58 HA MET 58 -0.799 4.934 4.404 426 HB2 MET 58 1HB MET 58 0.642 6.575 5.795 427 HB3 MET 58 2HB MET 58 1.126 5.205 6.776 428 HG2 MET 58 1HG MET 58 2.857 5.174 5.223 429 HG3 MET 58 2HG MET 58 1.725 4.124 4.394 430 HE1 MET 58 1HE MET 58 3.777 7.591 3.736 431 HE2 MET 58 2HE MET 58 2.303 8.589 3.755 432 HE3 MET 58 3HE MET 58 2.717 7.586 5.166 433 H ASN 59 H ASN 59 -1.423 2.813 4.041 434 HA ASN 59 HA ASN 59 -1.088 0.881 6.093 435 HB2 ASN 59 1HB ASN 59 -2.978 0.685 4.527 436 HB3 ASN 59 2HB ASN 59 -1.897 0.684 3.148 437 HD21 ASN 59 1HD2 ASN 59 -3.890 -1.246 4.466 438 HD22 ASN 59 2HD2 ASN 59 -3.072 -2.772 4.494 439 H VAL 60 H VAL 60 0.642 -0.604 6.279 440 HA VAL 60 HA VAL 60 2.503 -0.769 4.029 441 HB VAL 60 HB VAL 60 3.212 -0.175 6.908 442 HG11 VAL 60 1HG1 VAL 60 5.309 -0.896 6.576 443 HG12 VAL 60 2HG1 VAL 60 4.663 -1.764 5.163 444 HG13 VAL 60 3HG1 VAL 60 5.400 -0.157 4.960 445 HG21 VAL 60 1HG2 VAL 60 4.444 1.595 5.038 446 HG22 VAL 60 2HG2 VAL 60 2.707 1.516 4.657 447 HG23 VAL 60 3HG2 VAL 60 3.239 1.967 6.295 448 H ALA 61 H ALA 61 2.397 -2.871 3.429 449 HA ALA 61 HA ALA 61 2.731 -4.860 5.531 450 HB1 ALA 61 1HB ALA 61 0.911 -6.233 4.364 451 HB2 ALA 61 2HB ALA 61 0.353 -4.848 5.333 452 HB3 ALA 61 3HB ALA 61 0.427 -4.722 3.559 453 H ASP 62 H ASP 62 3.926 -6.662 4.849 454 HA ASP 62 HA ASP 62 5.219 -7.872 3.594 455 HB2 ASP 62 1HB ASP 62 3.100 -7.460 1.927 456 HB3 ASP 62 2HB ASP 62 4.349 -6.681 0.977 457 H ALA 63 H ALA 63 4.773 -4.927 1.483 458 HA ALA 63 HA ALA 63 7.049 -3.577 2.264 459 HB1 ALA 63 1HB ALA 63 7.785 -4.778 -0.344 460 HB2 ALA 63 2HB ALA 63 8.800 -4.397 1.067 461 HB3 ALA 63 3HB ALA 63 7.843 -5.898 1.038 462 H THR 64 H THR 64 4.290 -3.142 1.532 463 HA THR 64 HA THR 64 4.719 -1.391 -0.794 464 HB THR 64 HB THR 64 2.342 -3.208 -0.142 465 HG1 THR 64 1HG THR 64 3.607 -4.399 -1.516 466 HG21 THR 64 1HG2 THR 64 2.375 -0.695 -1.571 467 HG22 THR 64 2HG2 THR 64 2.248 -2.007 -2.767 468 HG23 THR 64 3HG2 THR 64 1.044 -1.872 -1.463 469 H VAL 65 H VAL 65 3.574 0.602 -0.793 470 HA VAL 65 HA VAL 65 2.585 1.305 1.886 471 HB VAL 65 HB VAL 65 4.376 2.731 -0.049 472 HG11 VAL 65 1HG1 VAL 65 2.577 4.318 0.290 473 HG12 VAL 65 2HG1 VAL 65 2.630 4.060 2.050 474 HG13 VAL 65 3HG1 VAL 65 4.000 4.838 1.223 475 HG21 VAL 65 1HG2 VAL 65 4.759 3.085 2.839 476 HG22 VAL 65 2HG2 VAL 65 4.811 1.382 2.323 477 HG23 VAL 65 3HG2 VAL 65 5.910 2.571 1.583 478 H THR 66 H THR 66 0.382 1.138 1.646 479 HA THR 66 HA THR 66 -0.768 2.517 -0.689 480 HB THR 66 HB THR 66 -1.960 0.300 1.056 481 HG1 THR 66 1HG THR 66 -0.778 0.336 -1.631 482 HG21 THR 66 1HG2 THR 66 -3.075 0.125 -1.455 483 HG22 THR 66 2HG2 THR 66 -3.841 0.996 -0.105 484 HG23 THR 66 3HG2 THR 66 -2.880 1.888 -1.309 485 H VAL 67 H VAL 67 -1.857 4.354 -0.378 486 HA VAL 67 HA VAL 67 -2.269 5.192 2.362 487 HB VAL 67 HB VAL 67 -2.698 6.614 -0.273 488 HG11 VAL 67 1HG1 VAL 67 -2.451 8.654 1.325 489 HG12 VAL 67 2HG1 VAL 67 -4.011 7.799 1.246 490 HG13 VAL 67 3HG1 VAL 67 -2.898 7.497 2.602 491 HG21 VAL 67 1HG2 VAL 67 -0.290 5.832 0.866 492 HG22 VAL 67 2HG2 VAL 67 -0.518 7.130 -0.330 493 HG23 VAL 67 3HG2 VAL 67 -0.480 7.517 1.407 494 H ILE 68 H ILE 68 -4.057 4.369 3.346 495 HA ILE 68 HA ILE 68 -6.463 4.069 1.717 496 HB ILE 68 HB ILE 68 -5.726 2.998 4.442 497 HG12 ILE 68 1HG1 ILE 68 -5.756 1.792 1.676 498 HG13 ILE 68 2HG1 ILE 68 -4.443 1.839 2.836 499 HG21 ILE 68 1HG2 ILE 68 -7.788 1.675 4.283 500 HG22 ILE 68 2HG2 ILE 68 -8.120 3.423 4.322 501 HG23 ILE 68 3HG2 ILE 68 -8.220 2.532 2.784 502 HD11 ILE 68 1HD1 ILE 68 -5.238 -0.370 3.050 503 HD12 ILE 68 2HD1 ILE 68 -6.066 0.464 4.387 504 HD13 ILE 68 3HD1 ILE 68 -6.939 0.123 2.874 505 H SER 69 H SER 69 -8.516 4.919 2.473 506 HA SER 69 HA SER 69 -8.182 7.516 3.517 507 HB2 SER 69 1HB SER 69 -9.887 7.059 1.826 508 HB3 SER 69 2HB SER 69 -10.659 5.869 2.854 509 HG SER 69 HG SER 69 -10.352 8.586 3.753 510 H GLU 70 H GLU 70 -9.433 8.361 5.451 511 HA GLU 70 HA GLU 70 -8.840 6.799 7.679 512 HB2 GLU 70 1HB GLU 70 -8.804 9.029 8.246 513 HB3 GLU 70 2HB GLU 70 -10.093 9.449 7.136 514 HG2 GLU 70 1HG GLU 70 -11.791 8.554 8.660 515 HG3 GLU 70 2HG GLU 70 -10.563 7.890 9.718 516 H LYS 71 H LYS 71 -11.949 7.631 6.020 517 HA LYS 71 HA LYS 71 -13.283 5.669 7.733 518 HB2 LYS 71 1HB LYS 71 -14.151 8.126 6.277 519 HB3 LYS 71 2HB LYS 71 -15.314 6.824 6.424 520 HG2 LYS 71 1HG LYS 71 -13.858 7.352 8.948 521 HG3 LYS 71 2HG LYS 71 -14.757 8.744 8.379 522 HD2 LYS 71 1HD LYS 71 -16.778 7.777 8.837 523 HD3 LYS 71 2HD LYS 71 -16.306 6.241 8.139 524 HE2 LYS 71 1HE LYS 71 -14.856 6.794 10.646 525 HE3 LYS 71 2HE LYS 71 -16.592 6.807 10.883 526 HZ1 LYS 71 1HZ LYS 71 -15.341 4.606 10.983 527 HZ2 LYS 71 2HZ LYS 71 -16.764 4.646 10.183 528 HZ3 LYS 71 3HZ LYS 71 -15.359 4.655 9.350 529 H ASN 72 H ASN 72 -11.931 4.039 6.428 530 HA ASN 72 HA ASN 72 -13.529 2.588 4.856 531 HB2 ASN 72 1HB ASN 72 -12.602 4.869 3.352 532 HB3 ASN 72 2HB ASN 72 -11.772 3.466 2.709 533 HD21 ASN 72 1HD2 ASN 72 -14.488 5.322 2.528 534 HD22 ASN 72 2HD2 ASN 72 -15.589 4.231 1.754 535 H GLU 73 H GLU 73 -12.449 0.579 4.542 536 HA GLU 73 HA GLU 73 -9.594 0.658 5.115 537 HB2 GLU 73 1HB GLU 73 -11.724 -1.455 5.596 538 HB3 GLU 73 2HB GLU 73 -10.018 -1.852 5.652 539 HG2 GLU 73 1HG GLU 73 -10.514 0.574 7.194 540 HG3 GLU 73 2HG GLU 73 -11.599 -0.696 7.726 541 H GLU 74 H GLU 74 -11.883 0.247 2.619 542 HA GLU 74 HA GLU 74 -10.074 -1.500 1.155 543 HB2 GLU 74 1HB GLU 74 -13.031 -0.970 1.031 544 HB3 GLU 74 2HB GLU 74 -12.226 -1.398 -0.466 545 HG2 GLU 74 1HG GLU 74 -11.824 -3.564 0.204 546 HG3 GLU 74 2HG GLU 74 -11.460 -3.099 1.854 547 H GLU 75 H GLU 75 -11.369 1.754 1.410 548 HA GLU 75 HA GLU 75 -10.848 2.496 -1.254 549 HB2 GLU 75 1HB GLU 75 -12.273 3.604 0.781 550 HB3 GLU 75 2HB GLU 75 -10.815 4.568 0.909 551 HG2 GLU 75 1HG GLU 75 -10.983 5.186 -1.493 552 HG3 GLU 75 2HG GLU 75 -12.399 4.169 -1.674 553 H VAL 76 H VAL 76 -8.810 2.441 -2.110 554 HA VAL 76 HA VAL 76 -6.607 3.238 -0.348 555 HB VAL 76 HB VAL 76 -6.004 1.182 -1.076 556 HG11 VAL 76 1HG1 VAL 76 -7.902 0.494 -2.280 557 HG12 VAL 76 2HG1 VAL 76 -7.673 1.738 -3.533 558 HG13 VAL 76 3HG1 VAL 76 -6.566 0.347 -3.446 559 HG21 VAL 76 1HG2 VAL 76 -4.437 2.984 -2.023 560 HG22 VAL 76 2HG2 VAL 76 -4.307 1.343 -2.701 561 HG23 VAL 76 3HG2 VAL 76 -5.167 2.614 -3.603 562 H LEU 77 H LEU 77 -6.731 5.498 -0.506 563 HA LEU 77 HA LEU 77 -7.302 6.950 -2.749 564 HB2 LEU 77 1HB LEU 77 -5.513 7.523 -0.393 565 HB3 LEU 77 2HB LEU 77 -5.843 8.715 -1.634 566 HG LEU 77 HG LEU 77 -8.147 7.374 -0.258 567 HD11 LEU 77 1HD1 LEU 77 -6.240 8.381 1.336 568 HD12 LEU 77 2HD1 LEU 77 -7.130 9.879 0.972 569 HD13 LEU 77 3HD1 LEU 77 -7.979 8.495 1.702 570 HD21 LEU 77 1HD2 LEU 77 -8.568 8.829 -2.185 571 HD22 LEU 77 2HD2 LEU 77 -9.255 9.503 -0.687 572 HD23 LEU 77 3HD2 LEU 77 -7.745 10.171 -1.354 573 H VAL 78 H VAL 78 -4.018 5.909 -1.590 574 HA VAL 78 HA VAL 78 -3.181 5.992 -4.396 575 HB VAL 78 HB VAL 78 -1.923 7.329 -2.017 576 HG11 VAL 78 1HG1 VAL 78 -0.222 5.823 -3.046 577 HG12 VAL 78 2HG1 VAL 78 -0.467 6.662 -4.597 578 HG13 VAL 78 3HG1 VAL 78 0.177 7.551 -3.196 579 HG21 VAL 78 1HG2 VAL 78 -1.576 8.840 -4.351 580 HG22 VAL 78 2HG2 VAL 78 -3.212 8.153 -4.489 581 HG23 VAL 78 3HG2 VAL 78 -2.769 9.116 -3.059 582 H GLU 79 H GLU 79 -1.487 4.474 -4.923 583 HA GLU 79 HA GLU 79 -0.982 2.553 -2.796 584 HB2 GLU 79 1HB GLU 79 -2.785 1.654 -4.236 585 HB3 GLU 79 2HB GLU 79 -1.793 1.888 -5.661 586 HG2 GLU 79 1HG GLU 79 -0.051 0.405 -4.198 587 HG3 GLU 79 2HG GLU 79 -1.545 -0.174 -3.488 588 H CYS 80 H CYS 80 1.180 3.030 -2.442 589 HA CYS 80 HA CYS 80 2.874 3.076 -4.830 590 HB2 CYS 80 1HB CYS 80 3.175 4.429 -2.143 591 HB3 CYS 80 2HB CYS 80 4.540 4.203 -3.218 592 HG CYS 80 HG CYS 80 1.795 5.210 -4.615 593 H ARG 81 H ARG 81 4.738 1.695 -4.844 594 HA ARG 81 HA ARG 81 4.717 -0.244 -2.671 595 HB2 ARG 81 1HB ARG 81 5.333 -0.594 -5.643 596 HB3 ARG 81 2HB ARG 81 5.748 -1.814 -4.455 597 HG2 ARG 81 1HG ARG 81 3.569 -2.488 -4.184 598 HG3 ARG 81 2HG ARG 81 2.947 -0.851 -4.237 599 HD2 ARG 81 1HD ARG 81 2.365 -1.082 -6.422 600 HD3 ARG 81 2HD ARG 81 4.002 -1.532 -6.858 601 HE ARG 81 HE ARG 81 2.978 -3.829 -5.661 602 HH11 ARG 81 2HH2 ARG 81 1.988 -1.779 -8.344 603 HH12 ARG 81 1HH2 ARG 81 1.211 -3.065 -9.207 604 HH21 ARG 81 2HH1 ARG 81 1.953 -5.525 -6.798 605 HH22 ARG 81 1HH1 ARG 81 1.191 -5.210 -8.321 606 H VAL 82 H VAL 82 6.834 -1.073 -1.972 607 HA VAL 82 HA VAL 82 8.814 0.895 -1.883 608 HB VAL 82 HB VAL 82 10.123 -0.777 -0.740 609 HG11 VAL 82 1HG1 VAL 82 8.670 -0.015 0.838 610 HG12 VAL 82 2HG1 VAL 82 7.230 -0.435 -0.122 611 HG13 VAL 82 3HG1 VAL 82 8.101 -1.701 0.777 612 HG21 VAL 82 1HG2 VAL 82 8.977 -3.126 -0.513 613 HG22 VAL 82 2HG2 VAL 82 8.226 -2.696 -2.069 614 HG23 VAL 82 3HG2 VAL 82 9.999 -2.765 -1.925 615 H ARG 83 H ARG 83 8.203 -1.852 -4.074 616 HA ARG 83 HA ARG 83 10.747 -1.900 -5.185 617 HB2 ARG 83 1HB ARG 83 9.659 -3.184 -7.030 618 HB3 ARG 83 2HB ARG 83 9.124 -3.750 -5.461 619 HG2 ARG 83 1HG ARG 83 7.019 -3.493 -6.316 620 HG3 ARG 83 2HG ARG 83 7.247 -1.796 -5.944 621 HD2 ARG 83 1HD ARG 83 7.535 -1.200 -8.163 622 HD3 ARG 83 2HD ARG 83 8.389 -2.677 -8.563 623 HE ARG 83 HE ARG 83 5.477 -2.257 -8.642 624 HH11 ARG 83 2HH2 ARG 83 8.082 -4.622 -8.601 625 HH12 ARG 83 1HH2 ARG 83 7.119 -5.884 -9.294 626 HH21 ARG 83 2HH1 ARG 83 4.206 -3.922 -9.556 627 HH22 ARG 83 1HH1 ARG 83 4.900 -5.483 -9.841 628 H PHE 84 H PHE 84 7.819 0.054 -5.784 629 HA PHE 84 HA PHE 84 8.881 1.146 -8.229 630 HB2 PHE 84 1HB PHE 84 6.407 1.294 -6.488 631 HB3 PHE 84 2HB PHE 84 6.711 2.687 -7.505 632 HD1 PHE 84 2HD PHE 84 7.839 1.371 -9.921 633 HD2 PHE 84 1HD PHE 84 4.549 0.288 -7.470 634 HE1 PHE 84 2HE PHE 84 6.782 0.184 -11.864 635 HE2 PHE 84 1HE PHE 84 3.492 -0.899 -9.412 636 HZ PHE 84 HZ PHE 84 4.621 -0.937 -11.586 637 H LEU 85 H LEU 85 9.069 1.776 -4.806 638 HA LEU 85 HA LEU 85 9.307 4.569 -4.884 639 HB2 LEU 85 1HB LEU 85 9.499 2.436 -2.978 640 HB3 LEU 85 2HB LEU 85 10.865 3.513 -2.769 641 HG LEU 85 HG LEU 85 8.133 4.717 -2.999 642 HD11 LEU 85 1HD1 LEU 85 7.451 3.223 -1.409 643 HD12 LEU 85 2HD1 LEU 85 9.088 3.003 -0.746 644 HD13 LEU 85 3HD1 LEU 85 8.166 4.477 -0.367 645 HD21 LEU 85 1HD2 LEU 85 10.756 5.618 -2.380 646 HD22 LEU 85 2HD2 LEU 85 9.242 6.552 -2.443 647 HD23 LEU 85 3HD2 LEU 85 9.760 5.799 -0.916 648 H SER 86 H SER 86 11.119 5.942 -5.014 649 HA SER 86 HA SER 86 13.475 4.591 -6.079 650 HB2 SER 86 1HB SER 86 12.945 5.862 -7.907 651 HB3 SER 86 2HB SER 86 11.947 6.966 -6.982 652 HG SER 86 HG SER 86 13.618 8.286 -7.391 653 H PHE 87 H PHE 87 12.119 7.025 -3.860 654 HA PHE 87 HA PHE 87 14.272 6.855 -2.109 655 HB2 PHE 87 1HB PHE 87 15.254 8.192 -4.119 656 HB3 PHE 87 2HB PHE 87 14.088 9.449 -3.752 657 HD1 PHE 87 2HD PHE 87 14.299 10.775 -1.691 658 HD2 PHE 87 1HD PHE 87 17.206 7.869 -2.745 659 HE1 PHE 87 2HE PHE 87 15.904 11.784 -0.047 660 HE2 PHE 87 1HE PHE 87 18.811 8.878 -1.101 661 HZ PHE 87 HZ PHE 87 18.141 10.824 0.229 662 H MET 88 H MET 88 14.139 8.733 -0.401 663 HA MET 88 HA MET 88 11.715 10.180 -0.369 664 HB2 MET 88 1HB MET 88 10.640 9.011 1.511 665 HB3 MET 88 2HB MET 88 10.947 7.833 0.250 666 HG2 MET 88 1HG MET 88 13.207 8.148 2.156 667 HG3 MET 88 2HG MET 88 11.732 7.572 2.907 668 HE1 MET 88 1HE MET 88 10.796 4.591 0.546 669 HE2 MET 88 2HE MET 88 10.650 4.991 2.274 670 HE3 MET 88 3HE MET 88 10.183 6.187 1.041 671 H GLY 89 H GLY 89 11.677 10.035 2.696 672 HA2 GLY 89 1HA GLY 89 13.594 10.462 4.272 673 HA3 GLY 89 2HA GLY 89 14.092 11.686 3.121 674 H VAL 90 H VAL 90 13.314 12.079 5.941 675 HA VAL 90 HA VAL 90 10.678 13.160 5.963 676 HB VAL 90 HB VAL 90 13.026 13.145 7.842 677 HG11 VAL 90 1HG1 VAL 90 11.429 14.205 9.520 678 HG12 VAL 90 2HG1 VAL 90 12.102 15.287 8.277 679 HG13 VAL 90 3HG1 VAL 90 10.434 14.684 8.125 680 HG21 VAL 90 1HG2 VAL 90 12.052 11.325 8.690 681 HG22 VAL 90 2HG2 VAL 90 10.502 12.180 8.880 682 HG23 VAL 90 3HG2 VAL 90 10.893 11.378 7.340 683 H GLY 91 H GLY 91 10.076 15.402 6.104 684 HA2 GLY 91 1HA GLY 91 11.744 17.093 4.449 685 HA3 GLY 91 2HA GLY 91 10.131 17.427 5.048 686 H LYS 92 H LYS 92 11.432 19.611 5.327 687 HA LYS 92 HA LYS 92 13.373 20.024 7.152 688 HB2 LYS 92 1HB LYS 92 10.939 21.679 6.463 689 HB3 LYS 92 2HB LYS 92 12.184 22.260 7.550 690 HG2 LYS 92 1HG LYS 92 13.022 21.115 4.881 691 HG3 LYS 92 2HG LYS 92 12.325 22.722 4.918 692 HD2 LYS 92 1HD LYS 92 14.588 21.962 6.803 693 HD3 LYS 92 2HD LYS 92 14.922 22.483 5.163 694 HE2 LYS 92 1HE LYS 92 13.790 24.632 5.550 695 HE3 LYS 92 2HE LYS 92 13.241 24.107 7.129 696 HZ1 LYS 92 1HZ LYS 92 15.629 25.312 6.512 697 HZ2 LYS 92 2HZ LYS 92 15.156 24.743 7.968 698 HZ3 LYS 92 3HZ LYS 92 16.010 23.787 6.956 699 H ASP 93 H ASP 93 9.825 19.736 7.840 700 HA ASP 93 HA ASP 93 10.401 19.805 10.643 701 HB2 ASP 93 1HB ASP 93 7.690 18.954 9.850 702 HB3 ASP 93 2HB ASP 93 8.177 20.292 10.871 703 H VAL 94 H VAL 94 9.658 17.976 12.096 704 HA VAL 94 HA VAL 94 10.318 15.441 10.904 705 HB VAL 94 HB VAL 94 10.282 14.633 13.178 706 HG11 VAL 94 1HG1 VAL 94 11.896 16.825 12.248 707 HG12 VAL 94 2HG1 VAL 94 11.670 16.964 14.008 708 HG13 VAL 94 3HG1 VAL 94 12.344 15.470 13.312 709 HG21 VAL 94 1HG2 VAL 94 8.551 15.540 14.368 710 HG22 VAL 94 2HG2 VAL 94 9.872 16.575 14.962 711 HG23 VAL 94 3HG2 VAL 94 8.783 17.168 13.685 712 H HIS 95 H HIS 95 7.529 17.333 11.134 713 HA HIS 95 HA HIS 95 5.811 14.988 11.391 714 HB2 HIS 95 1HB HIS 95 4.725 17.767 11.217 715 HB3 HIS 95 2HB HIS 95 4.113 16.377 12.091 716 HD1 HIS 95 1HD HIS 95 7.091 18.789 12.290 717 HD2 HIS 95 2HD HIS 95 4.659 16.438 14.771 718 HE1 HIS 95 1HE HIS 95 7.796 19.312 14.685 719 H THR 96 H THR 96 7.588 15.894 9.022 720 HA THR 96 HA THR 96 5.412 15.820 7.043 721 HB THR 96 HB THR 96 7.098 17.285 5.664 722 HG1 THR 96 1HG THR 96 8.308 18.584 7.452 723 HG21 THR 96 1HG2 THR 96 5.929 18.560 8.190 724 HG22 THR 96 2HG2 THR 96 6.298 19.377 6.653 725 HG23 THR 96 3HG2 THR 96 4.964 18.201 6.738 726 H PHE 97 H PHE 97 5.563 14.268 5.522 727 HA PHE 97 HA PHE 97 8.176 13.000 5.197 728 HB2 PHE 97 1HB PHE 97 6.779 11.672 6.806 729 HB3 PHE 97 2HB PHE 97 5.423 11.721 5.698 730 HD1 PHE 97 1HD PHE 97 9.026 10.716 5.568 731 HD2 PHE 97 2HD PHE 97 5.014 9.772 4.557 732 HE1 PHE 97 1HE PHE 97 9.794 8.563 4.532 733 HE2 PHE 97 2HE PHE 97 5.782 7.618 3.521 734 HZ PHE 97 HZ PHE 97 8.163 7.040 3.521 735 H ALA 98 H ALA 98 8.625 12.296 3.096 736 HA ALA 98 HA ALA 98 6.476 12.193 1.172 737 HB1 ALA 98 1HB ALA 98 8.770 14.065 0.574 738 HB2 ALA 98 2HB ALA 98 7.160 13.979 -0.180 739 HB3 ALA 98 3HB ALA 98 7.340 14.650 1.459 740 H PHE 99 H PHE 99 6.998 10.850 -0.578 741 HA PHE 99 HA PHE 99 9.768 9.927 -0.695 742 HB2 PHE 99 1HB PHE 99 8.937 7.598 -0.707 743 HB3 PHE 99 2HB PHE 99 8.281 8.390 0.712 744 HD1 PHE 99 2HD PHE 99 7.403 7.654 -2.837 745 HD2 PHE 99 1HD PHE 99 6.006 8.259 1.124 746 HE1 PHE 99 2HE PHE 99 5.082 7.029 -3.560 747 HE2 PHE 99 1HE PHE 99 3.685 7.634 0.401 748 HZ PHE 99 HZ PHE 99 3.251 7.026 -1.933 749 H ILE 100 H ILE 100 10.490 9.390 -2.774 750 HA ILE 100 HA ILE 100 8.712 10.250 -4.894 751 HB ILE 100 HB ILE 100 11.636 9.493 -4.900 752 HG12 ILE 100 1HG1 ILE 100 10.327 12.228 -4.932 753 HG13 ILE 100 2HG1 ILE 100 11.096 11.495 -3.538 754 HG21 ILE 100 1HG2 ILE 100 9.731 10.064 -7.056 755 HG22 ILE 100 2HG2 ILE 100 11.193 11.077 -7.099 756 HG23 ILE 100 3HG2 ILE 100 11.340 9.303 -7.108 757 HD11 ILE 100 1HD1 ILE 100 12.901 12.696 -4.350 758 HD12 ILE 100 2HD1 ILE 100 13.134 11.197 -5.282 759 HD13 ILE 100 3HD1 ILE 100 12.340 12.600 -6.037 760 H MET 101 H MET 101 7.769 8.929 -6.406 761 HA MET 101 HA MET 101 8.418 6.096 -6.120 762 HB2 MET 101 1HB MET 101 6.058 5.606 -6.526 763 HB3 MET 101 2HB MET 101 6.110 6.848 -5.290 764 HG2 MET 101 1HG MET 101 5.835 8.585 -7.160 765 HG3 MET 101 2HG MET 101 5.554 7.255 -8.266 766 HE1 MET 101 1HE MET 101 4.035 5.128 -6.568 767 HE2 MET 101 2HE MET 101 2.342 5.586 -6.872 768 HE3 MET 101 3HE MET 101 3.532 5.647 -8.194 769 H ASP 102 H ASP 102 7.810 4.781 -8.165 770 HA ASP 102 HA ASP 102 8.424 6.435 -10.488 771 HB2 ASP 102 1HB ASP 102 10.330 5.077 -10.252 772 HB3 ASP 102 2HB ASP 102 9.421 3.734 -9.589 773 H THR 103 H THR 103 6.394 6.617 -11.506 774 HA THR 103 HA THR 103 4.601 4.329 -11.483 775 HB THR 103 HB THR 103 3.158 6.140 -12.715 776 HG1 THR 103 1HG THR 103 4.157 8.190 -12.698 777 HG21 THR 103 1HG2 THR 103 2.769 7.447 -10.621 778 HG22 THR 103 2HG2 THR 103 2.864 5.705 -10.267 779 HG23 THR 103 3HG2 THR 103 4.255 6.761 -9.921 780 H GLY 104 H GLY 104 7.258 5.268 -13.291 781 HA2 GLY 104 1HA GLY 104 7.986 4.010 -15.115 782 HA3 GLY 104 2HA GLY 104 6.329 3.624 -15.534 783 H ASN 105 H ASN 105 8.245 4.602 -17.428 784 HA ASN 105 HA ASN 105 8.329 5.994 -19.092 785 HB2 ASN 105 1HB ASN 105 5.642 6.587 -17.976 786 HB3 ASN 105 2HB ASN 105 6.334 7.955 -18.825 787 HD21 ASN 105 1HD2 ASN 105 4.275 7.247 -20.047 788 HD22 ASN 105 2HD2 ASN 105 4.517 6.225 -21.424 789 H GLN 106 H GLN 106 10.166 6.581 -17.282 790 HA GLN 106 HA GLN 106 11.203 8.070 -16.013 791 HB2 GLN 106 1HB GLN 106 10.579 9.648 -18.544 792 HB3 GLN 106 2HB GLN 106 11.748 10.178 -17.351 793 HG2 GLN 106 1HG GLN 106 13.319 8.694 -18.075 794 HG3 GLN 106 2HG GLN 106 12.178 7.365 -18.086 795 HE21 GLN 106 1HE2 GLN 106 13.539 10.032 -19.878 796 HE22 GLN 106 2HE2 GLN 106 13.027 9.557 -21.463 797 H ARG 107 H ARG 107 8.543 7.930 -15.103 798 HA ARG 107 HA ARG 107 7.993 10.742 -14.583 799 HB2 ARG 107 1HB ARG 107 6.271 8.739 -15.612 800 HB3 ARG 107 2HB ARG 107 5.781 8.912 -13.939 801 HG2 ARG 107 1HG ARG 107 6.263 11.457 -15.456 802 HG3 ARG 107 2HG ARG 107 4.858 10.524 -15.930 803 HD2 ARG 107 1HD ARG 107 4.269 10.432 -13.392 804 HD3 ARG 107 2HD ARG 107 5.482 11.679 -13.180 805 HE ARG 107 HE ARG 107 3.742 12.471 -15.311 806 HH11 ARG 107 2HH2 ARG 107 3.702 12.033 -11.819 807 HH12 ARG 107 1HH2 ARG 107 2.466 13.217 -11.557 808 HH21 ARG 107 2HH1 ARG 107 2.111 14.034 -14.965 809 HH22 ARG 107 1HH1 ARG 107 1.555 14.363 -13.358 810 H PHE 108 H PHE 108 8.103 11.398 -12.435 811 HA PHE 108 HA PHE 108 8.080 9.271 -10.417 812 HB2 PHE 108 1HB PHE 108 9.821 11.806 -10.534 813 HB3 PHE 108 2HB PHE 108 9.925 10.562 -9.304 814 HD1 PHE 108 1HD PHE 108 10.019 8.075 -10.703 815 HD2 PHE 108 2HD PHE 108 11.721 11.795 -11.830 816 HE1 PHE 108 1HE PHE 108 11.748 6.871 -12.067 817 HE2 PHE 108 2HE PHE 108 13.450 10.591 -13.194 818 HZ PHE 108 HZ PHE 108 13.443 8.143 -13.296 819 H GLU 109 H GLU 109 6.772 9.660 -8.667 820 HA GLU 109 HA GLU 109 5.733 12.381 -8.479 821 HB2 GLU 109 1HB GLU 109 4.320 9.728 -7.980 822 HB3 GLU 109 2HB GLU 109 3.644 11.276 -7.514 823 HG2 GLU 109 1HG GLU 109 3.178 11.893 -9.693 824 HG3 GLU 109 2HG GLU 109 4.609 11.115 -10.338 825 H CYS 110 H CYS 110 5.645 13.342 -6.416 826 HA CYS 110 HA CYS 110 6.866 11.720 -4.302 827 HB2 CYS 110 1HB CYS 110 8.243 13.652 -5.169 828 HB3 CYS 110 2HB CYS 110 7.008 14.738 -4.564 829 HG CYS 110 HG CYS 110 8.118 12.328 -2.642 830 H HIS 111 H HIS 111 5.222 11.058 -2.948 831 HA HIS 111 HA HIS 111 2.900 12.758 -2.676 832 HB2 HIS 111 1HB HIS 111 3.540 9.971 -1.676 833 HB3 HIS 111 2HB HIS 111 2.043 10.810 -1.325 834 HD1 HIS 111 1HD HIS 111 0.252 10.904 -3.166 835 HD2 HIS 111 2HD HIS 111 3.873 9.209 -4.437 836 HE1 HIS 111 1HE HIS 111 -0.206 9.870 -5.453 837 H VAL 112 H VAL 112 2.944 14.384 -1.212 838 HA VAL 112 HA VAL 112 4.762 14.171 1.035 839 HB VAL 112 HB VAL 112 2.960 16.397 0.062 840 HG11 VAL 112 1HG1 VAL 112 4.964 17.532 1.599 841 HG12 VAL 112 2HG1 VAL 112 3.279 17.266 2.105 842 HG13 VAL 112 3HG1 VAL 112 4.531 16.068 2.514 843 HG21 VAL 112 1HG2 VAL 112 4.729 15.877 -1.537 844 HG22 VAL 112 2HG2 VAL 112 5.056 17.432 -0.736 845 HG23 VAL 112 3HG2 VAL 112 5.952 15.973 -0.247 846 H PHE 113 H PHE 113 4.140 14.069 3.209 847 HA PHE 113 HA PHE 113 1.293 14.030 3.772 848 HB2 PHE 113 1HB PHE 113 3.313 11.791 4.393 849 HB3 PHE 113 2HB PHE 113 1.668 11.816 4.996 850 HD1 PHE 113 1HD PHE 113 -0.228 11.771 3.276 851 HD2 PHE 113 2HD PHE 113 3.799 10.849 2.304 852 HE1 PHE 113 1HE PHE 113 -1.002 10.564 1.215 853 HE2 PHE 113 2HE PHE 113 3.025 9.642 0.243 854 HZ PHE 113 HZ PHE 113 0.634 9.514 -0.276 855 H TRP 114 H TRP 114 0.908 13.886 6.217 856 HA TRP 114 HA TRP 114 3.179 15.117 7.624 857 HB2 TRP 114 1HB TRP 114 1.495 16.791 7.114 858 HB3 TRP 114 2HB TRP 114 0.242 15.800 7.834 859 HD1 TRP 114 HD TRP 114 0.781 15.268 10.651 860 HE1 TRP 114 1HE TRP 114 1.549 16.939 12.543 861 HE3 TRP 114 3HE TRP 114 2.694 18.776 7.506 862 HZ2 TRP 114 2HZ TRP 114 2.842 19.483 12.513 863 HZ3 TRP 114 3HZ TRP 114 3.691 20.824 8.518 864 HH2 TRP 114 HH TRP 114 3.783 21.207 10.931 865 H CYS 115 H CYS 115 3.928 13.660 9.104 866 HA CYS 115 HA CYS 115 1.957 11.826 10.250 867 HB2 CYS 115 1HB CYS 115 4.934 11.389 10.400 868 HB3 CYS 115 2HB CYS 115 3.638 10.216 10.515 869 HG CYS 115 HG CYS 115 4.456 12.064 7.887 870 H GLU 116 H GLU 116 2.115 11.433 12.606 871 HA GLU 116 HA GLU 116 3.687 13.419 14.016 872 HB2 GLU 116 1HB GLU 116 0.696 12.968 14.406 873 HB3 GLU 116 2HB GLU 116 1.697 13.884 15.515 874 HG2 GLU 116 1HG GLU 116 2.178 15.571 13.867 875 HG3 GLU 116 2HG GLU 116 1.608 14.564 12.551 876 HA PRO 117 HA PRO 117 3.606 13.941 16.073 877 HB2 PRO 117 1HB PRO 117 5.616 13.876 17.924 878 HB3 PRO 117 2HB PRO 117 3.917 13.862 18.353 879 HG2 PRO 117 1HG PRO 117 5.857 11.632 18.392 880 HG3 PRO 117 2HG PRO 117 4.306 11.752 19.199 881 HD2 PRO 117 1HD PRO 117 4.893 10.254 16.824 882 HD3 PRO 117 2HD PRO 117 3.320 10.469 17.566 883 H ASN 118 H ASN 118 5.591 11.581 14.818 884 HA ASN 118 HA ASN 118 6.973 13.618 13.361 885 HB2 ASN 118 1HB ASN 118 9.216 12.316 13.843 886 HB3 ASN 118 2HB ASN 118 8.649 13.470 15.035 887 HD21 ASN 118 1HD2 ASN 118 9.965 12.259 16.511 888 HD22 ASN 118 2HD2 ASN 118 9.358 10.827 17.272 889 H ALA 119 H ALA 119 8.115 12.615 11.436 890 HA ALA 119 HA ALA 119 6.769 10.159 10.661 891 HB1 ALA 119 1HB ALA 119 7.545 10.763 8.412 892 HB2 ALA 119 2HB ALA 119 6.741 12.153 9.180 893 HB3 ALA 119 3HB ALA 119 8.517 12.093 9.086 894 H ALA 120 H ALA 120 8.728 9.918 12.761 895 HA ALA 120 HA ALA 120 11.137 8.962 11.477 896 HB1 ALA 120 1HB ALA 120 10.789 8.366 14.325 897 HB2 ALA 120 2HB ALA 120 12.047 9.325 13.508 898 HB3 ALA 120 3HB ALA 120 10.499 10.083 13.953 899 H ASN 121 H ASN 121 8.146 7.729 13.017 900 HA ASN 121 HA ASN 121 9.090 5.051 12.954 901 HB2 ASN 121 1HB ASN 121 6.450 6.413 13.603 902 HB3 ASN 121 2HB ASN 121 6.487 4.673 13.398 903 HD21 ASN 121 1HD2 ASN 121 7.188 7.330 15.414 904 HD22 ASN 121 2HD2 ASN 121 7.880 6.491 16.762 905 H VAL 122 H VAL 122 6.958 7.234 11.041 906 HA VAL 122 HA VAL 122 5.893 5.250 9.355 907 HB VAL 122 HB VAL 122 6.168 8.239 9.264 908 HG11 VAL 122 1HG1 VAL 122 4.914 6.510 7.104 909 HG12 VAL 122 2HG1 VAL 122 4.829 8.285 7.204 910 HG13 VAL 122 3HG1 VAL 122 6.396 7.483 6.940 911 HG21 VAL 122 1HG2 VAL 122 4.085 8.267 10.107 912 HG22 VAL 122 2HG2 VAL 122 3.522 6.986 9.007 913 HG23 VAL 122 3HG2 VAL 122 4.374 6.557 10.510 914 H SER 123 H SER 123 8.396 7.794 8.638 915 HA SER 123 HA SER 123 9.170 6.861 6.245 916 HB2 SER 123 1HB SER 123 10.066 8.931 7.050 917 HB3 SER 123 2HB SER 123 10.754 8.179 8.475 918 HG SER 123 HG SER 123 11.993 8.646 6.171 919 H GLU 124 H GLU 124 10.168 5.698 9.503 920 HA GLU 124 HA GLU 124 12.166 3.992 8.563 921 HB2 GLU 124 1HB GLU 124 10.645 4.353 11.127 922 HB3 GLU 124 2HB GLU 124 11.499 2.838 10.916 923 HG2 GLU 124 1HG GLU 124 12.867 5.511 10.410 924 HG3 GLU 124 2HG GLU 124 12.789 4.816 12.017 925 H ALA 125 H ALA 125 8.751 3.349 9.642 926 HA ALA 125 HA ALA 125 8.684 0.659 9.157 927 HB1 ALA 125 1HB ALA 125 6.215 1.045 8.837 928 HB2 ALA 125 2HB ALA 125 6.891 1.836 10.282 929 HB3 ALA 125 3HB ALA 125 6.542 2.795 8.823 930 H VAL 126 H VAL 126 8.244 3.405 6.858 931 HA VAL 126 HA VAL 126 7.572 1.756 4.669 932 HB VAL 126 HB VAL 126 8.670 4.566 4.861 933 HG11 VAL 126 1HG1 VAL 126 8.608 2.961 2.584 934 HG12 VAL 126 2HG1 VAL 126 7.127 3.940 2.464 935 HG13 VAL 126 3HG1 VAL 126 8.710 4.737 2.629 936 HG21 VAL 126 1HG2 VAL 126 6.207 5.061 4.228 937 HG22 VAL 126 2HG2 VAL 126 5.889 3.399 4.779 938 HG23 VAL 126 3HG2 VAL 126 6.577 4.594 5.905 939 H GLN 127 H GLN 127 10.655 3.363 5.715 940 HA GLN 127 HA GLN 127 12.178 2.429 3.637 941 HB2 GLN 127 1HB GLN 127 12.883 3.145 6.508 942 HB3 GLN 127 2HB GLN 127 14.110 2.721 5.330 943 HG2 GLN 127 1HG GLN 127 12.260 4.671 4.185 944 HG3 GLN 127 2HG GLN 127 12.889 5.265 5.709 945 HE21 GLN 127 1HE2 GLN 127 15.267 5.016 6.041 946 HE22 GLN 127 2HE2 GLN 127 16.320 5.343 4.706 947 H ALA 128 H ALA 128 11.847 1.039 6.986 948 HA ALA 128 HA ALA 128 13.417 -1.146 6.736 949 HB1 ALA 128 1HB ALA 128 11.039 -1.970 8.084 950 HB2 ALA 128 2HB ALA 128 12.561 -1.383 8.797 951 HB3 ALA 128 3HB ALA 128 11.258 -0.234 8.408 952 H ALA 129 H ALA 129 10.358 -0.466 5.104 953 HA ALA 129 HA ALA 129 9.819 -3.168 4.395 954 HB1 ALA 129 1HB ALA 129 8.689 -1.167 2.609 955 HB2 ALA 129 2HB ALA 129 7.868 -2.242 3.766 956 HB3 ALA 129 3HB ALA 129 8.510 -0.674 4.310 957 H CYS 130 H CYS 130 11.123 -0.289 2.596 958 HA CYS 130 HA CYS 130 11.637 -1.624 0.244 959 HB2 CYS 130 1HB CYS 130 11.671 0.819 0.449 960 HB3 CYS 130 2HB CYS 130 13.110 0.744 1.446 961 HG CYS 130 HG CYS 130 12.930 -0.753 -1.485 962 H SER 131 H SER 131 13.861 -0.881 3.034 963 HA SER 131 HA SER 131 15.853 -1.665 3.519 964 HB2 SER 131 1HB SER 131 14.007 -3.494 4.135 965 HB3 SER 131 2HB SER 131 14.864 -4.459 2.950 966 HG SER 131 HG SER 131 16.043 -3.198 5.279 967 H GLY 132 H GLY 132 17.164 -0.901 1.768 968 HA2 GLY 132 1HA GLY 132 18.183 -3.021 0.055 969 HA3 GLY 132 2HA GLY 132 17.407 -1.682 -0.767 970 HA PRO 133 HA PRO 133 21.705 -0.429 -0.057 971 HB2 PRO 133 1HB PRO 133 22.321 0.230 -2.636 972 HB3 PRO 133 2HB PRO 133 22.662 -1.342 -1.942 973 HG2 PRO 133 1HG PRO 133 20.536 -0.581 -3.850 974 HG3 PRO 133 2HG PRO 133 21.158 -2.177 -3.478 975 HD2 PRO 133 1HD PRO 133 18.684 -1.043 -2.570 976 HD3 PRO 133 2HD PRO 133 19.360 -2.592 -2.105 977 H SER 134 H SER 134 21.331 1.325 1.209 978 HA SER 134 HA SER 134 20.845 3.701 -0.381 979 HB2 SER 134 1HB SER 134 18.670 3.005 0.627 980 HB3 SER 134 2HB SER 134 19.395 3.042 2.222 981 HG SER 134 HG SER 134 18.881 5.249 0.439 982 H SER 135 H SER 135 21.453 2.498 3.006 983 HA SER 135 HA SER 135 22.703 3.310 4.609 984 HB2 SER 135 1HB SER 135 24.692 3.481 2.302 985 HB3 SER 135 2HB SER 135 25.144 3.550 3.994 986 HG SER 135 HG SER 135 24.941 1.364 2.567 987 H GLY 136 H GLY 136 21.398 5.296 4.890 988 HA2 GLY 136 1HA GLY 136 22.439 7.719 3.631 989 HA3 GLY 136 2HA GLY 136 20.974 7.551 4.578 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -1.127 -8.855 -29.247 2 HA2 GLY 1 1HA GLY 1 -3.753 -8.026 -28.248 3 HA3 GLY 1 2HA GLY 1 -3.105 -9.652 -28.311 4 H SER 2 H SER 2 -4.281 -8.880 -25.956 5 HA SER 2 HA SER 2 -2.029 -8.998 -24.206 6 HB2 SER 2 1HB SER 2 -3.758 -6.554 -24.424 7 HB3 SER 2 2HB SER 2 -3.332 -7.075 -22.806 8 HG SER 2 HG SER 2 -1.603 -5.834 -23.278 9 H SER 3 H SER 3 -2.940 -9.160 -21.795 10 HA SER 3 HA SER 3 -5.607 -9.807 -21.432 11 HB2 SER 3 1HB SER 3 -4.419 -11.838 -22.827 12 HB3 SER 3 2HB SER 3 -4.075 -12.362 -21.190 13 HG SER 3 HG SER 3 -6.433 -12.492 -22.569 14 H GLY 4 H GLY 4 -5.874 -11.006 -19.189 15 HA2 GLY 4 1HA GLY 4 -3.527 -10.532 -17.473 16 HA3 GLY 4 2HA GLY 4 -5.055 -9.761 -17.096 17 H SER 5 H SER 5 -4.527 -11.159 -15.042 18 HA SER 5 HA SER 5 -6.322 -13.325 -15.125 19 HB2 SER 5 1HB SER 5 -3.353 -13.927 -14.814 20 HB3 SER 5 2HB SER 5 -4.600 -15.027 -14.261 21 HG SER 5 HG SER 5 -5.235 -15.449 -16.341 22 H SER 6 H SER 6 -6.331 -14.443 -12.819 23 HA SER 6 HA SER 6 -5.050 -13.079 -10.739 24 HB2 SER 6 1HB SER 6 -6.931 -11.444 -11.536 25 HB3 SER 6 2HB SER 6 -8.043 -12.577 -10.795 26 HG SER 6 HG SER 6 -7.583 -11.686 -8.914 27 H GLY 7 H GLY 7 -6.063 -13.843 -8.521 28 HA2 GLY 7 1HA GLY 7 -7.658 -16.266 -8.727 29 HA3 GLY 7 2HA GLY 7 -5.997 -16.491 -8.214 30 HA PRO 8 HA PRO 8 -8.308 -15.484 -4.464 31 HB2 PRO 8 1HB PRO 8 -7.392 -17.550 -2.927 32 HB3 PRO 8 2HB PRO 8 -8.883 -17.626 -3.845 33 HG2 PRO 8 1HG PRO 8 -6.280 -18.899 -4.429 34 HG3 PRO 8 2HG PRO 8 -7.862 -19.291 -5.072 35 HD2 PRO 8 1HD PRO 8 -5.774 -17.851 -6.411 36 HD3 PRO 8 2HD PRO 8 -7.395 -18.142 -7.008 37 H THR 9 H THR 9 -7.555 -15.069 -2.140 38 HA THR 9 HA THR 9 -4.703 -14.375 -2.235 39 HB THR 9 HB THR 9 -5.234 -12.140 -1.379 40 HG1 THR 9 1HG THR 9 -7.548 -11.707 -0.995 41 HG21 THR 9 1HG2 THR 9 -6.786 -11.229 -3.150 42 HG22 THR 9 2HG2 THR 9 -5.506 -12.256 -3.839 43 HG23 THR 9 3HG2 THR 9 -7.154 -12.900 -3.644 44 HA PRO 10 HA PRO 10 -5.076 -16.528 1.534 45 HB2 PRO 10 1HB PRO 10 -2.403 -16.937 1.926 46 HB3 PRO 10 2HB PRO 10 -3.409 -18.016 0.980 47 HG2 PRO 10 1HG PRO 10 -1.428 -16.031 0.043 48 HG3 PRO 10 2HG PRO 10 -2.118 -17.388 -0.826 49 HD2 PRO 10 1HD PRO 10 -2.817 -14.622 -1.126 50 HD3 PRO 10 2HD PRO 10 -3.586 -15.989 -1.909 51 H LYS 11 H LYS 11 -3.519 -16.406 3.705 52 HA LYS 11 HA LYS 11 -4.270 -13.945 4.773 53 HB2 LYS 11 1HB LYS 11 -3.046 -16.388 5.657 54 HB3 LYS 11 2HB LYS 11 -2.128 -15.039 6.295 55 HG2 LYS 11 1HG LYS 11 -3.776 -15.181 7.928 56 HG3 LYS 11 2HG LYS 11 -4.552 -14.048 6.839 57 HD2 LYS 11 1HD LYS 11 -5.045 -16.877 6.109 58 HD3 LYS 11 2HD LYS 11 -5.636 -16.470 7.707 59 HE2 LYS 11 1HE LYS 11 -6.248 -14.769 5.249 60 HE3 LYS 11 2HE LYS 11 -7.280 -16.087 5.765 61 HZ1 LYS 11 1HZ LYS 11 -6.574 -14.260 7.850 62 HZ2 LYS 11 2HZ LYS 11 -7.471 -13.595 6.658 63 HZ3 LYS 11 3HZ LYS 11 -8.029 -14.897 7.471 64 H THR 12 H THR 12 -2.683 -12.335 5.794 65 HA THR 12 HA THR 12 -0.391 -11.925 3.993 66 HB THR 12 HB THR 12 -1.029 -9.438 4.183 67 HG1 THR 12 1HG THR 12 -3.523 -10.736 5.011 68 HG21 THR 12 1HG2 THR 12 -1.831 -10.023 2.097 69 HG22 THR 12 2HG2 THR 12 -2.535 -11.543 2.697 70 HG23 THR 12 3HG2 THR 12 -3.416 -10.010 2.906 71 H GLU 13 H GLU 13 1.029 -10.028 5.010 72 HA GLU 13 HA GLU 13 1.644 -11.052 7.629 73 HB2 GLU 13 1HB GLU 13 3.147 -10.007 5.420 74 HB3 GLU 13 2HB GLU 13 3.436 -8.947 6.784 75 HG2 GLU 13 1HG GLU 13 3.485 -11.712 7.691 76 HG3 GLU 13 2HG GLU 13 4.557 -11.536 6.316 77 H LEU 14 H LEU 14 2.575 -9.208 9.216 78 HA LEU 14 HA LEU 14 0.435 -7.767 10.119 79 HB2 LEU 14 1HB LEU 14 3.396 -7.570 10.511 80 HB3 LEU 14 2HB LEU 14 2.349 -6.351 11.211 81 HG LEU 14 HG LEU 14 2.901 -8.094 12.825 82 HD11 LEU 14 1HD1 LEU 14 0.866 -8.084 13.808 83 HD12 LEU 14 2HD1 LEU 14 0.483 -6.968 12.474 84 HD13 LEU 14 3HD1 LEU 14 0.032 -8.686 12.355 85 HD21 LEU 14 1HD2 LEU 14 1.577 -9.987 10.865 86 HD22 LEU 14 2HD2 LEU 14 3.281 -9.979 11.379 87 HD23 LEU 14 3HD2 LEU 14 2.001 -10.395 12.545 88 H VAL 15 H VAL 15 0.013 -5.420 10.172 89 HA VAL 15 HA VAL 15 1.103 -4.017 7.847 90 HB VAL 15 HB VAL 15 -1.815 -4.371 8.552 91 HG11 VAL 15 1HG1 VAL 15 -0.804 -2.012 7.716 92 HG12 VAL 15 2HG1 VAL 15 -1.034 -2.812 6.142 93 HG13 VAL 15 3HG1 VAL 15 -2.415 -2.609 7.248 94 HG21 VAL 15 1HG2 VAL 15 -0.124 -5.868 6.891 95 HG22 VAL 15 2HG2 VAL 15 -1.904 -5.902 6.928 96 HG23 VAL 15 3HG2 VAL 15 -1.058 -4.832 5.785 97 H GLN 16 H GLN 16 1.415 -1.802 8.168 98 HA GLN 16 HA GLN 16 0.733 -0.913 10.863 99 HB2 GLN 16 1HB GLN 16 3.191 -0.366 9.160 100 HB3 GLN 16 2HB GLN 16 2.775 0.652 10.525 101 HG2 GLN 16 1HG GLN 16 3.145 -1.059 12.100 102 HG3 GLN 16 2HG GLN 16 2.844 -2.339 10.942 103 HE21 GLN 16 1HE2 GLN 16 5.082 0.249 11.825 104 HE22 GLN 16 2HE2 GLN 16 6.529 -0.472 11.203 105 H LYS 17 H LYS 17 -0.963 0.497 10.752 106 HA LYS 17 HA LYS 17 -1.105 2.226 8.393 107 HB2 LYS 17 1HB LYS 17 -3.081 0.810 10.038 108 HB3 LYS 17 2HB LYS 17 -3.494 2.491 9.767 109 HG2 LYS 17 1HG LYS 17 -4.420 1.474 7.865 110 HG3 LYS 17 2HG LYS 17 -2.865 2.002 7.253 111 HD2 LYS 17 1HD LYS 17 -2.728 -0.188 6.549 112 HD3 LYS 17 2HD LYS 17 -2.118 -0.438 8.172 113 HE2 LYS 17 1HE LYS 17 -3.834 -1.873 8.546 114 HE3 LYS 17 2HE LYS 17 -4.943 -0.520 8.441 115 HZ1 LYS 17 1HZ LYS 17 -5.582 -2.078 6.835 116 HZ2 LYS 17 2HZ LYS 17 -4.881 -0.866 5.996 117 HZ3 LYS 17 3HZ LYS 17 -4.069 -2.260 6.249 118 H PHE 18 H PHE 18 -0.768 4.392 8.565 119 HA PHE 18 HA PHE 18 -0.667 5.465 11.296 120 HB2 PHE 18 1HB PHE 18 1.053 6.083 8.817 121 HB3 PHE 18 2HB PHE 18 1.218 6.903 10.357 122 HD1 PHE 18 2HD PHE 18 2.150 5.713 12.304 123 HD2 PHE 18 1HD PHE 18 1.955 3.880 8.481 124 HE1 PHE 18 2HE PHE 18 3.797 3.974 13.053 125 HE2 PHE 18 1HE PHE 18 3.603 2.141 9.231 126 HZ PHE 18 HZ PHE 18 4.504 2.209 11.508 127 H ARG 19 H ARG 19 -2.353 6.855 11.542 128 HA ARG 19 HA ARG 19 -3.701 7.924 9.369 129 HB2 ARG 19 1HB ARG 19 -4.407 7.579 11.903 130 HB3 ARG 19 2HB ARG 19 -3.762 9.192 12.130 131 HG2 ARG 19 1HG ARG 19 -5.377 9.341 9.786 132 HG3 ARG 19 2HG ARG 19 -6.297 8.381 10.928 133 HD2 ARG 19 1HD ARG 19 -5.548 10.309 12.644 134 HD3 ARG 19 2HD ARG 19 -5.367 11.245 11.173 135 HE ARG 19 HE ARG 19 -7.859 10.082 10.863 136 HH11 ARG 19 2HH2 ARG 19 -6.374 12.000 13.412 137 HH12 ARG 19 1HH2 ARG 19 -7.872 12.696 13.936 138 HH21 ARG 19 2HH1 ARG 19 -9.834 10.999 11.554 139 HH22 ARG 19 1HH1 ARG 19 -9.853 12.122 12.872 140 H VAL 20 H VAL 20 -2.588 9.288 7.957 141 HA VAL 20 HA VAL 20 -1.404 11.676 9.182 142 HB VAL 20 HB VAL 20 0.361 11.602 7.487 143 HG11 VAL 20 1HG1 VAL 20 0.628 8.916 8.731 144 HG12 VAL 20 2HG1 VAL 20 1.725 10.317 8.771 145 HG13 VAL 20 3HG1 VAL 20 0.300 10.271 9.837 146 HG21 VAL 20 1HG2 VAL 20 -0.468 10.424 5.656 147 HG22 VAL 20 2HG2 VAL 20 0.689 9.275 6.369 148 HG23 VAL 20 3HG2 VAL 20 -1.056 9.075 6.657 149 H GLN 21 H GLN 21 -1.309 13.544 7.620 150 HA GLN 21 HA GLN 21 -3.776 13.541 6.144 151 HB2 GLN 21 1HB GLN 21 -1.830 15.686 7.044 152 HB3 GLN 21 2HB GLN 21 -3.065 16.052 5.855 153 HG2 GLN 21 1HG GLN 21 -4.851 15.490 7.385 154 HG3 GLN 21 2HG GLN 21 -3.748 14.721 8.509 155 HE21 GLN 21 1HE2 GLN 21 -5.088 17.674 7.338 156 HE22 GLN 21 2HE2 GLN 21 -4.404 18.760 8.501 157 H TYR 22 H TYR 22 -3.893 14.388 3.894 158 HA TYR 22 HA TYR 22 -1.478 13.621 2.409 159 HB2 TYR 22 1HB TYR 22 -3.939 12.564 2.246 160 HB3 TYR 22 2HB TYR 22 -4.335 14.036 1.381 161 HD1 TYR 22 1HD TYR 22 -1.112 13.731 0.421 162 HD2 TYR 22 2HD TYR 22 -4.798 11.605 -0.026 163 HE1 TYR 22 1HE TYR 22 -0.258 12.691 -1.736 164 HE2 TYR 22 2HE TYR 22 -3.932 10.573 -2.182 165 HH TYR 22 HH TYR 22 -2.358 10.610 -3.687 166 H LEU 23 H LEU 23 -0.276 15.482 2.135 167 HA LEU 23 HA LEU 23 -1.451 18.017 1.819 168 HB2 LEU 23 1HB LEU 23 1.290 16.862 1.467 169 HB3 LEU 23 2HB LEU 23 0.955 18.491 0.916 170 HG LEU 23 HG LEU 23 -0.066 18.587 3.451 171 HD11 LEU 23 1HD1 LEU 23 0.656 16.906 4.706 172 HD12 LEU 23 2HD1 LEU 23 1.633 16.259 3.366 173 HD13 LEU 23 3HD1 LEU 23 2.320 17.487 4.457 174 HD21 LEU 23 1HD2 LEU 23 1.647 20.073 3.912 175 HD22 LEU 23 2HD2 LEU 23 2.855 19.133 3.003 176 HD23 LEU 23 3HD2 LEU 23 1.615 20.067 2.132 177 H GLY 24 H GLY 24 -0.241 15.525 -0.486 178 HA2 GLY 24 1HA GLY 24 -1.831 15.575 -2.498 179 HA3 GLY 24 2HA GLY 24 -1.206 17.198 -2.712 180 H MET 25 H MET 25 -0.839 15.384 -4.767 181 HA MET 25 HA MET 25 1.812 14.293 -4.413 182 HB2 MET 25 1HB MET 25 -0.150 13.045 -5.538 183 HB3 MET 25 2HB MET 25 -0.041 14.195 -6.855 184 HG2 MET 25 1HG MET 25 2.395 12.604 -5.959 185 HG3 MET 25 2HG MET 25 1.243 11.930 -7.095 186 HE1 MET 25 1HE MET 25 0.636 14.398 -9.488 187 HE2 MET 25 2HE MET 25 1.760 13.256 -10.262 188 HE3 MET 25 3HE MET 25 0.582 12.671 -9.063 189 H LEU 26 H LEU 26 3.658 15.023 -5.508 190 HA LEU 26 HA LEU 26 3.269 17.235 -7.378 191 HB2 LEU 26 1HB LEU 26 3.746 17.969 -4.956 192 HB3 LEU 26 2HB LEU 26 5.365 17.356 -5.226 193 HG LEU 26 HG LEU 26 4.475 19.150 -7.364 194 HD11 LEU 26 1HD1 LEU 26 5.059 20.688 -4.902 195 HD12 LEU 26 2HD1 LEU 26 3.985 21.061 -6.272 196 HD13 LEU 26 3HD1 LEU 26 3.445 19.942 -4.997 197 HD21 LEU 26 1HD2 LEU 26 6.811 18.275 -6.872 198 HD22 LEU 26 2HD2 LEU 26 6.659 20.020 -7.191 199 HD23 LEU 26 3HD2 LEU 26 6.851 19.433 -5.521 200 HA PRO 27 HA PRO 27 6.107 14.733 -9.511 201 HB2 PRO 27 1HB PRO 27 6.328 16.248 -11.775 202 HB3 PRO 27 2HB PRO 27 5.031 15.098 -11.514 203 HG2 PRO 27 1HG PRO 27 4.949 18.050 -11.364 204 HG3 PRO 27 2HG PRO 27 3.618 16.921 -11.530 205 HD2 PRO 27 1HD PRO 27 4.406 18.308 -9.146 206 HD3 PRO 27 2HD PRO 27 3.150 17.094 -9.285 207 H VAL 28 H VAL 28 8.310 14.583 -10.213 208 HA VAL 28 HA VAL 28 9.849 16.991 -9.751 209 HB VAL 28 HB VAL 28 11.298 15.970 -8.113 210 HG11 VAL 28 1HG1 VAL 28 9.152 17.196 -7.454 211 HG12 VAL 28 2HG1 VAL 28 8.473 15.590 -7.098 212 HG13 VAL 28 3HG1 VAL 28 9.905 16.167 -6.213 213 HG21 VAL 28 1HG2 VAL 28 10.903 13.813 -7.120 214 HG22 VAL 28 2HG2 VAL 28 9.399 13.604 -8.048 215 HG23 VAL 28 3HG2 VAL 28 10.969 13.609 -8.887 216 H ASP 29 H ASP 29 11.604 17.077 -11.112 217 HA ASP 29 HA ASP 29 11.726 15.198 -13.150 218 HB2 ASP 29 1HB ASP 29 13.055 17.687 -12.380 219 HB3 ASP 29 2HB ASP 29 14.226 16.560 -13.033 220 H ARG 30 H ARG 30 13.749 15.867 -10.217 221 HA ARG 30 HA ARG 30 15.524 13.739 -10.851 222 HB2 ARG 30 1HB ARG 30 15.443 15.991 -9.014 223 HB3 ARG 30 2HB ARG 30 15.808 14.539 -8.103 224 HG2 ARG 30 1HG ARG 30 17.275 15.276 -10.675 225 HG3 ARG 30 2HG ARG 30 17.826 15.793 -9.094 226 HD2 ARG 30 1HD ARG 30 18.749 13.758 -8.668 227 HD3 ARG 30 2HD ARG 30 17.246 12.934 -9.035 228 HE ARG 30 HE ARG 30 18.203 12.322 -11.064 229 HH11 ARG 30 2HH2 ARG 30 19.588 15.404 -10.080 230 HH12 ARG 30 1HH2 ARG 30 20.626 15.524 -11.462 231 HH21 ARG 30 2HH1 ARG 30 19.572 12.480 -12.886 232 HH22 ARG 30 1HH1 ARG 30 20.617 13.849 -13.069 233 HA PRO 31 HA PRO 31 12.949 10.829 -8.771 234 HB2 PRO 31 1HB PRO 31 14.376 8.583 -9.392 235 HB3 PRO 31 2HB PRO 31 13.170 9.277 -10.457 236 HG2 PRO 31 1HG PRO 31 16.116 9.378 -10.679 237 HG3 PRO 31 2HG PRO 31 14.911 9.680 -11.915 238 HD2 PRO 31 1HD PRO 31 16.439 11.646 -10.492 239 HD3 PRO 31 2HD PRO 31 15.153 11.950 -11.643 240 H VAL 32 H VAL 32 16.043 11.790 -8.017 241 HA VAL 32 HA VAL 32 15.675 10.705 -5.352 242 HB VAL 32 HB VAL 32 18.037 9.909 -5.322 243 HG11 VAL 32 1HG1 VAL 32 15.806 8.549 -5.911 244 HG12 VAL 32 2HG1 VAL 32 16.696 8.274 -7.428 245 HG13 VAL 32 3HG1 VAL 32 17.412 7.783 -5.874 246 HG21 VAL 32 1HG2 VAL 32 18.047 9.640 -8.290 247 HG22 VAL 32 2HG2 VAL 32 18.408 11.250 -7.621 248 HG23 VAL 32 3HG2 VAL 32 19.398 9.848 -7.149 249 H GLY 33 H GLY 33 16.762 11.948 -3.734 250 HA2 GLY 33 1HA GLY 33 18.635 13.701 -3.625 251 HA3 GLY 33 2HA GLY 33 17.602 14.593 -4.723 252 H MET 34 H MET 34 18.468 15.117 -1.846 253 HA MET 34 HA MET 34 15.998 14.845 -0.413 254 HB2 MET 34 1HB MET 34 18.781 15.948 0.195 255 HB3 MET 34 2HB MET 34 17.464 16.208 1.321 256 HG2 MET 34 1HG MET 34 17.407 13.425 0.589 257 HG3 MET 34 2HG MET 34 19.074 13.827 0.952 258 HE1 MET 34 1HE MET 34 15.477 13.585 3.620 259 HE2 MET 34 2HE MET 34 15.534 15.192 2.857 260 HE3 MET 34 3HE MET 34 15.547 13.726 1.847 261 H ASP 35 H ASP 35 18.044 17.446 -1.854 262 HA ASP 35 HA ASP 35 16.790 19.622 -0.896 263 HB2 ASP 35 1HB ASP 35 18.579 19.015 -3.000 264 HB3 ASP 35 2HB ASP 35 17.266 19.864 -3.789 265 H THR 36 H THR 36 16.098 18.085 -4.139 266 HA THR 36 HA THR 36 13.797 19.473 -4.720 267 HB THR 36 HB THR 36 14.863 16.706 -5.426 268 HG1 THR 36 1HG THR 36 15.455 17.949 -7.260 269 HG21 THR 36 1HG2 THR 36 13.207 16.741 -7.317 270 HG22 THR 36 2HG2 THR 36 12.396 16.583 -5.740 271 HG23 THR 36 3HG2 THR 36 12.419 18.155 -6.576 272 H LEU 37 H LEU 37 14.167 16.466 -2.769 273 HA LEU 37 HA LEU 37 11.518 15.847 -2.477 274 HB2 LEU 37 1HB LEU 37 13.408 14.476 -1.743 275 HB3 LEU 37 2HB LEU 37 13.747 15.611 -0.451 276 HG LEU 37 HG LEU 37 11.134 15.016 0.074 277 HD11 LEU 37 1HD1 LEU 37 11.609 12.286 -0.083 278 HD12 LEU 37 2HD1 LEU 37 10.483 13.232 -1.087 279 HD13 LEU 37 3HD1 LEU 37 12.134 12.906 -1.667 280 HD21 LEU 37 1HD2 LEU 37 12.062 13.453 1.812 281 HD22 LEU 37 2HD2 LEU 37 13.660 13.677 1.062 282 HD23 LEU 37 3HD2 LEU 37 12.805 15.070 1.767 283 H ASN 38 H ASN 38 13.444 17.726 -0.029 284 HA ASN 38 HA ASN 38 11.348 18.537 1.453 285 HB2 ASN 38 1HB ASN 38 14.006 19.857 0.774 286 HB3 ASN 38 2HB ASN 38 12.878 20.677 1.836 287 HD21 ASN 38 1HD2 ASN 38 15.108 18.086 1.442 288 HD22 ASN 38 2HD2 ASN 38 15.094 17.468 3.060 289 H SER 39 H SER 39 12.871 20.183 -1.412 290 HA SER 39 HA SER 39 11.526 22.478 -1.489 291 HB2 SER 39 1HB SER 39 13.095 21.018 -3.263 292 HB3 SER 39 2HB SER 39 11.583 21.153 -4.138 293 HG SER 39 HG SER 39 12.204 23.133 -4.638 294 H ALA 40 H ALA 40 10.359 19.303 -2.814 295 HA ALA 40 HA ALA 40 7.947 20.182 -3.820 296 HB1 ALA 40 1HB ALA 40 8.389 18.023 -4.445 297 HB2 ALA 40 2HB ALA 40 9.127 17.606 -2.879 298 HB3 ALA 40 3HB ALA 40 7.355 17.661 -3.041 299 H ILE 41 H ILE 41 8.533 18.608 -0.588 300 HA ILE 41 HA ILE 41 6.056 18.908 0.457 301 HB ILE 41 HB ILE 41 8.750 19.146 1.794 302 HG12 ILE 41 1HG1 ILE 41 6.855 16.791 1.563 303 HG13 ILE 41 2HG1 ILE 41 8.260 17.040 0.546 304 HG21 ILE 41 1HG2 ILE 41 6.714 18.175 3.557 305 HG22 ILE 41 2HG2 ILE 41 7.773 19.595 3.732 306 HG23 ILE 41 3HG2 ILE 41 6.209 19.749 2.897 307 HD11 ILE 41 1HD1 ILE 41 8.199 16.575 3.554 308 HD12 ILE 41 2HD1 ILE 41 8.987 15.582 2.304 309 HD13 ILE 41 3HD1 ILE 41 9.648 17.183 2.716 310 H GLU 42 H GLU 42 8.753 21.297 0.970 311 HA GLU 42 HA GLU 42 7.256 23.200 2.171 312 HB2 GLU 42 1HB GLU 42 9.735 23.263 0.460 313 HB3 GLU 42 2HB GLU 42 9.003 24.793 0.902 314 HG2 GLU 42 1HG GLU 42 9.173 24.262 3.289 315 HG3 GLU 42 2HG GLU 42 9.690 22.625 2.938 316 H ASN 43 H ASN 43 7.475 22.385 -1.296 317 HA ASN 43 HA ASN 43 6.390 24.694 -2.315 318 HB2 ASN 43 1HB ASN 43 7.375 22.496 -3.463 319 HB3 ASN 43 2HB ASN 43 5.705 21.964 -3.467 320 HD21 ASN 43 1HD2 ASN 43 7.864 23.082 -5.438 321 HD22 ASN 43 2HD2 ASN 43 6.971 24.157 -6.461 322 H LEU 44 H LEU 44 4.818 21.508 -1.476 323 HA LEU 44 HA LEU 44 2.212 22.284 -2.010 324 HB2 LEU 44 1HB LEU 44 3.550 20.137 -0.451 325 HB3 LEU 44 2HB LEU 44 1.852 20.422 -0.123 326 HG LEU 44 HG LEU 44 2.985 19.856 -2.876 327 HD11 LEU 44 1HD1 LEU 44 3.173 17.737 -2.233 328 HD12 LEU 44 2HD1 LEU 44 2.393 18.067 -0.667 329 HD13 LEU 44 3HD1 LEU 44 1.399 17.700 -2.097 330 HD21 LEU 44 1HD2 LEU 44 0.933 21.115 -3.005 331 HD22 LEU 44 2HD2 LEU 44 0.616 19.426 -3.469 332 HD23 LEU 44 3HD2 LEU 44 0.136 20.012 -1.858 333 H MET 45 H MET 45 3.943 22.171 1.187 334 HA MET 45 HA MET 45 2.049 23.098 2.788 335 HB2 MET 45 1HB MET 45 5.022 23.765 2.602 336 HB3 MET 45 2HB MET 45 4.060 24.412 3.916 337 HG2 MET 45 1HG MET 45 3.416 21.621 3.731 338 HG3 MET 45 2HG MET 45 5.161 21.739 3.624 339 HE1 MET 45 1HE MET 45 3.125 21.066 7.095 340 HE2 MET 45 2HE MET 45 3.499 20.353 5.508 341 HE3 MET 45 3HE MET 45 4.765 20.465 6.754 342 H THR 46 H THR 46 4.386 25.341 1.117 343 HA THR 46 HA THR 46 2.817 27.628 1.754 344 HB THR 46 HB THR 46 4.536 28.755 0.335 345 HG1 THR 46 1HG THR 46 4.727 27.155 -1.325 346 HG21 THR 46 1HG2 THR 46 5.119 27.508 2.689 347 HG22 THR 46 2HG2 THR 46 6.168 26.567 1.600 348 HG23 THR 46 3HG2 THR 46 6.363 28.333 1.718 349 H SER 47 H SER 47 0.815 26.261 0.887 350 HA SER 47 HA SER 47 0.036 27.663 -1.417 351 HB2 SER 47 1HB SER 47 1.373 25.840 -2.494 352 HB3 SER 47 2HB SER 47 0.358 24.643 -1.715 353 HG SER 47 HG SER 47 -1.493 25.606 -2.862 354 H SER 48 H SER 48 -0.769 24.348 -0.145 355 HA SER 48 HA SER 48 -3.477 25.250 0.205 356 HB2 SER 48 1HB SER 48 -2.090 22.559 0.251 357 HB3 SER 48 2HB SER 48 -3.699 22.717 0.926 358 HG SER 48 HG SER 48 -4.547 23.240 -1.069 359 H SER 49 H SER 49 -4.637 24.457 2.312 360 HA SER 49 HA SER 49 -3.097 25.489 4.476 361 HB2 SER 49 1HB SER 49 -5.874 24.273 4.674 362 HB3 SER 49 2HB SER 49 -5.160 25.500 5.702 363 HG SER 49 HG SER 49 -5.756 27.034 4.324 364 H LYS 50 H LYS 50 -3.632 24.168 6.736 365 HA LYS 50 HA LYS 50 -2.316 21.635 6.324 366 HB2 LYS 50 1HB LYS 50 -1.357 22.747 8.097 367 HB3 LYS 50 2HB LYS 50 -2.869 23.444 8.640 368 HG2 LYS 50 1HG LYS 50 -3.566 21.448 9.712 369 HG3 LYS 50 2HG LYS 50 -2.505 20.439 8.749 370 HD2 LYS 50 1HD LYS 50 -0.526 21.623 9.893 371 HD3 LYS 50 2HD LYS 50 -1.690 22.351 10.981 372 HE2 LYS 50 1HE LYS 50 -2.380 19.615 10.989 373 HE3 LYS 50 2HE LYS 50 -0.628 19.606 10.959 374 HZ1 LYS 50 1HZ LYS 50 -1.945 21.433 12.787 375 HZ2 LYS 50 2HZ LYS 50 -1.929 19.845 13.171 376 HZ3 LYS 50 3HZ LYS 50 -0.523 20.647 12.952 377 H GLU 51 H GLU 51 -5.415 22.867 7.748 378 HA GLU 51 HA GLU 51 -6.376 20.297 8.273 379 HB2 GLU 51 1HB GLU 51 -7.765 22.990 7.973 380 HB3 GLU 51 2HB GLU 51 -8.618 21.534 8.445 381 HG2 GLU 51 1HG GLU 51 -7.421 21.336 10.493 382 HG3 GLU 51 2HG GLU 51 -6.111 22.361 9.940 383 H ASP 52 H ASP 52 -6.231 22.301 5.384 384 HA ASP 52 HA ASP 52 -8.379 21.323 3.999 385 HB2 ASP 52 1HB ASP 52 -5.758 22.582 3.352 386 HB3 ASP 52 2HB ASP 52 -6.444 21.646 2.038 387 H TRP 53 H TRP 53 -5.323 19.848 4.934 388 HA TRP 53 HA TRP 53 -5.279 17.865 2.879 389 HB2 TRP 53 1HB TRP 53 -3.829 17.864 5.527 390 HB3 TRP 53 2HB TRP 53 -3.439 16.926 4.100 391 HD1 TRP 53 HD TRP 53 -3.593 19.347 1.934 392 HE1 TRP 53 1HE TRP 53 -1.726 21.208 1.814 393 HE3 TRP 53 3HE TRP 53 -1.881 18.676 6.675 394 HZ2 TRP 53 2HZ TRP 53 0.214 22.169 3.673 395 HZ3 TRP 53 3HZ TRP 53 0.003 20.117 7.444 396 HH2 TRP 53 HH TRP 53 1.044 21.816 6.028 397 HA PRO 54 HA PRO 54 -8.261 15.360 4.863 398 HB2 PRO 54 1HB PRO 54 -8.215 13.253 3.122 399 HB3 PRO 54 2HB PRO 54 -9.162 14.702 2.849 400 HG2 PRO 54 1HG PRO 54 -6.636 13.868 1.560 401 HG3 PRO 54 2HG PRO 54 -7.801 15.062 1.022 402 HD2 PRO 54 1HD PRO 54 -5.264 15.576 2.258 403 HD3 PRO 54 2HD PRO 54 -6.480 16.762 1.826 404 H SER 55 H SER 55 -8.389 13.839 6.458 405 HA SER 55 HA SER 55 -5.845 12.903 7.268 406 HB2 SER 55 1HB SER 55 -8.064 11.628 8.662 407 HB3 SER 55 2HB SER 55 -6.864 12.743 9.283 408 HG SER 55 HG SER 55 -8.838 13.788 9.506 409 H VAL 56 H VAL 56 -4.928 11.272 6.034 410 HA VAL 56 HA VAL 56 -6.676 9.001 5.384 411 HB VAL 56 HB VAL 56 -5.310 8.592 3.490 412 HG11 VAL 56 1HG1 VAL 56 -7.010 10.380 3.261 413 HG12 VAL 56 2HG1 VAL 56 -5.765 11.591 3.652 414 HG13 VAL 56 3HG1 VAL 56 -5.622 10.615 2.170 415 HG21 VAL 56 1HG2 VAL 56 -3.147 9.213 4.679 416 HG22 VAL 56 2HG2 VAL 56 -3.265 9.678 2.965 417 HG23 VAL 56 3HG2 VAL 56 -3.498 10.901 4.237 418 H ASN 57 H ASN 57 -5.217 6.891 5.127 419 HA ASN 57 HA ASN 57 -3.512 6.858 7.493 420 HB2 ASN 57 1HB ASN 57 -5.408 4.757 6.345 421 HB3 ASN 57 2HB ASN 57 -4.154 4.322 7.489 422 HD21 ASN 57 1HD2 ASN 57 -7.243 5.670 7.015 423 HD22 ASN 57 2HD2 ASN 57 -7.624 6.097 8.650 424 H MET 58 H MET 58 -1.487 5.706 7.272 425 HA MET 58 HA MET 58 -0.833 5.094 4.506 426 HB2 MET 58 1HB MET 58 0.468 6.783 6.091 427 HB3 MET 58 2HB MET 58 1.140 5.340 6.822 428 HG2 MET 58 1HG MET 58 2.744 5.664 5.178 429 HG3 MET 58 2HG MET 58 1.622 4.690 4.248 430 HE1 MET 58 1HE MET 58 2.553 8.061 5.481 431 HE2 MET 58 2HE MET 58 3.545 8.167 4.007 432 HE3 MET 58 3HE MET 58 2.124 9.220 4.200 433 H ASN 59 H ASN 59 -1.304 2.945 4.113 434 HA ASN 59 HA ASN 59 -0.926 1.025 6.169 435 HB2 ASN 59 1HB ASN 59 -2.748 0.746 4.527 436 HB3 ASN 59 2HB ASN 59 -1.611 0.781 3.194 437 HD21 ASN 59 1HD2 ASN 59 -3.553 -1.210 4.632 438 HD22 ASN 59 2HD2 ASN 59 -2.675 -2.703 4.648 439 H VAL 60 H VAL 60 0.831 -0.455 6.344 440 HA VAL 60 HA VAL 60 2.813 -0.404 4.194 441 HB VAL 60 HB VAL 60 3.305 0.069 7.136 442 HG11 VAL 60 1HG1 VAL 60 4.966 -1.308 5.244 443 HG12 VAL 60 2HG1 VAL 60 5.724 0.250 5.651 444 HG13 VAL 60 3HG1 VAL 60 5.303 -0.900 6.943 445 HG21 VAL 60 1HG2 VAL 60 4.592 1.833 5.182 446 HG22 VAL 60 2HG2 VAL 60 2.815 1.867 5.087 447 HG23 VAL 60 3HG2 VAL 60 3.631 2.229 6.627 448 H ALA 61 H ALA 61 2.676 -2.467 3.440 449 HA ALA 61 HA ALA 61 3.351 -4.586 5.240 450 HB1 ALA 61 1HB ALA 61 1.294 -5.913 4.767 451 HB2 ALA 61 2HB ALA 61 0.954 -4.439 5.706 452 HB3 ALA 61 3HB ALA 61 0.587 -4.489 3.965 453 H ASP 62 H ASP 62 3.468 -6.723 3.945 454 HA ASP 62 HA ASP 62 4.561 -7.713 2.331 455 HB2 ASP 62 1HB ASP 62 2.070 -7.329 1.509 456 HB3 ASP 62 2HB ASP 62 2.801 -6.238 0.349 457 H ALA 63 H ALA 63 5.701 -5.102 3.086 458 HA ALA 63 HA ALA 63 7.154 -3.573 2.415 459 HB1 ALA 63 1HB ALA 63 7.919 -5.983 1.313 460 HB2 ALA 63 2HB ALA 63 7.906 -4.913 -0.109 461 HB3 ALA 63 3HB ALA 63 8.902 -4.500 1.308 462 H THR 64 H THR 64 4.693 -2.685 1.925 463 HA THR 64 HA THR 64 5.025 -1.266 -0.594 464 HB THR 64 HB THR 64 2.679 -3.087 0.126 465 HG1 THR 64 1HG THR 64 3.305 -3.793 -2.077 466 HG21 THR 64 1HG2 THR 64 2.861 -1.052 -2.156 467 HG22 THR 64 2HG2 THR 64 1.521 -2.183 -1.849 468 HG23 THR 64 3HG2 THR 64 1.832 -0.843 -0.719 469 H VAL 65 H VAL 65 3.628 0.657 -0.745 470 HA VAL 65 HA VAL 65 2.790 1.539 1.930 471 HB VAL 65 HB VAL 65 4.532 2.861 -0.119 472 HG11 VAL 65 1HG1 VAL 65 2.941 4.566 0.051 473 HG12 VAL 65 2HG1 VAL 65 2.613 4.226 1.767 474 HG13 VAL 65 3HG1 VAL 65 4.143 5.002 1.290 475 HG21 VAL 65 1HG2 VAL 65 5.138 3.539 2.590 476 HG22 VAL 65 2HG2 VAL 65 4.859 1.783 2.505 477 HG23 VAL 65 3HG2 VAL 65 6.078 2.543 1.453 478 H THR 66 H THR 66 0.583 1.341 1.746 479 HA THR 66 HA THR 66 -0.624 2.623 -0.618 480 HB THR 66 HB THR 66 -1.652 0.345 1.158 481 HG1 THR 66 1HG THR 66 -0.510 -0.810 -0.344 482 HG21 THR 66 1HG2 THR 66 -3.018 0.200 -1.209 483 HG22 THR 66 2HG2 THR 66 -3.656 1.055 0.215 484 HG23 THR 66 3HG2 THR 66 -2.836 1.965 -1.076 485 H VAL 67 H VAL 67 -1.900 4.358 -0.343 486 HA VAL 67 HA VAL 67 -2.266 5.244 2.402 487 HB VAL 67 HB VAL 67 -2.744 6.626 -0.246 488 HG11 VAL 67 1HG1 VAL 67 -4.065 7.855 1.185 489 HG12 VAL 67 2HG1 VAL 67 -3.067 7.478 2.610 490 HG13 VAL 67 3HG1 VAL 67 -2.498 8.669 1.415 491 HG21 VAL 67 1HG2 VAL 67 -0.580 7.194 -0.315 492 HG22 VAL 67 2HG2 VAL 67 -0.559 7.630 1.410 493 HG23 VAL 67 3HG2 VAL 67 -0.311 5.938 0.917 494 H ILE 68 H ILE 68 -4.001 4.257 3.360 495 HA ILE 68 HA ILE 68 -6.413 3.934 1.752 496 HB ILE 68 HB ILE 68 -5.607 2.833 4.445 497 HG12 ILE 68 1HG1 ILE 68 -5.668 1.676 1.658 498 HG13 ILE 68 2HG1 ILE 68 -4.325 1.748 2.782 499 HG21 ILE 68 1HG2 ILE 68 -7.995 3.159 4.433 500 HG22 ILE 68 2HG2 ILE 68 -8.134 2.398 2.830 501 HG23 ILE 68 3HG2 ILE 68 -7.640 1.426 4.237 502 HD11 ILE 68 1HD1 ILE 68 -4.987 -0.462 3.086 503 HD12 ILE 68 2HD1 ILE 68 -5.975 0.324 4.340 504 HD13 ILE 68 3HD1 ILE 68 -6.701 -0.102 2.772 505 H SER 69 H SER 69 -8.446 4.804 2.409 506 HA SER 69 HA SER 69 -8.171 7.337 3.611 507 HB2 SER 69 1HB SER 69 -9.789 7.011 1.826 508 HB3 SER 69 2HB SER 69 -10.587 5.721 2.702 509 HG SER 69 HG SER 69 -10.437 8.471 3.605 510 H GLU 70 H GLU 70 -9.757 8.034 5.451 511 HA GLU 70 HA GLU 70 -9.293 6.223 7.608 512 HB2 GLU 70 1HB GLU 70 -8.906 8.390 8.330 513 HB3 GLU 70 2HB GLU 70 -10.142 9.079 7.298 514 HG2 GLU 70 1HG GLU 70 -11.920 8.156 8.779 515 HG3 GLU 70 2HG GLU 70 -10.703 7.410 9.796 516 H LYS 71 H LYS 71 -12.025 7.409 5.633 517 HA LYS 71 HA LYS 71 -14.097 6.528 7.271 518 HB2 LYS 71 1HB LYS 71 -13.743 7.508 4.542 519 HB3 LYS 71 2HB LYS 71 -15.005 6.298 4.645 520 HG2 LYS 71 1HG LYS 71 -16.084 8.394 5.094 521 HG3 LYS 71 2HG LYS 71 -15.953 7.589 6.645 522 HD2 LYS 71 1HD LYS 71 -13.801 8.890 7.062 523 HD3 LYS 71 2HD LYS 71 -14.107 9.777 5.582 524 HE2 LYS 71 1HE LYS 71 -16.370 9.649 7.554 525 HE3 LYS 71 2HE LYS 71 -14.985 10.616 8.019 526 HZ1 LYS 71 1HZ LYS 71 -16.884 11.593 6.569 527 HZ2 LYS 71 2HZ LYS 71 -15.336 12.054 6.327 528 HZ3 LYS 71 3HZ LYS 71 -16.025 10.956 5.335 529 H ASN 72 H ASN 72 -13.139 4.924 4.163 530 HA ASN 72 HA ASN 72 -14.016 2.447 5.335 531 HB2 ASN 72 1HB ASN 72 -13.656 3.551 2.608 532 HB3 ASN 72 2HB ASN 72 -13.060 1.908 2.740 533 HD21 ASN 72 1HD2 ASN 72 -15.596 3.563 1.786 534 HD22 ASN 72 2HD2 ASN 72 -16.918 2.518 2.189 535 H GLU 73 H GLU 73 -12.520 0.437 4.601 536 HA GLU 73 HA GLU 73 -9.782 1.231 5.208 537 HB2 GLU 73 1HB GLU 73 -9.514 -0.718 6.468 538 HB3 GLU 73 2HB GLU 73 -11.193 -0.332 6.787 539 HG2 GLU 73 1HG GLU 73 -10.315 -2.224 4.559 540 HG3 GLU 73 2HG GLU 73 -10.724 -2.772 6.172 541 H GLU 74 H GLU 74 -11.923 -0.124 2.842 542 HA GLU 74 HA GLU 74 -9.814 -1.568 1.526 543 HB2 GLU 74 1HB GLU 74 -11.562 -2.257 -0.056 544 HB3 GLU 74 2HB GLU 74 -12.113 -2.502 1.590 545 HG2 GLU 74 1HG GLU 74 -12.963 0.090 1.130 546 HG3 GLU 74 2HG GLU 74 -13.104 -0.596 -0.476 547 H GLU 75 H GLU 75 -11.288 1.600 1.536 548 HA GLU 75 HA GLU 75 -10.764 2.250 -1.136 549 HB2 GLU 75 1HB GLU 75 -12.082 3.439 1.016 550 HB3 GLU 75 2HB GLU 75 -10.707 4.499 0.781 551 HG2 GLU 75 1HG GLU 75 -11.277 4.771 -1.613 552 HG3 GLU 75 2HG GLU 75 -12.592 3.623 -1.458 553 H VAL 76 H VAL 76 -8.736 2.222 -2.016 554 HA VAL 76 HA VAL 76 -6.537 3.147 -0.307 555 HB VAL 76 HB VAL 76 -5.891 1.065 -0.913 556 HG11 VAL 76 1HG1 VAL 76 -7.789 0.274 -2.062 557 HG12 VAL 76 2HG1 VAL 76 -7.575 1.432 -3.398 558 HG13 VAL 76 3HG1 VAL 76 -6.448 0.066 -3.214 559 HG21 VAL 76 1HG2 VAL 76 -4.185 1.182 -2.510 560 HG22 VAL 76 2HG2 VAL 76 -5.095 2.308 -3.545 561 HG23 VAL 76 3HG2 VAL 76 -4.398 2.877 -2.009 562 H LEU 77 H LEU 77 -6.711 5.390 -0.600 563 HA LEU 77 HA LEU 77 -7.318 6.682 -2.936 564 HB2 LEU 77 1HB LEU 77 -5.500 7.499 -0.668 565 HB3 LEU 77 2HB LEU 77 -6.024 8.583 -1.941 566 HG LEU 77 HG LEU 77 -8.196 7.150 -0.519 567 HD11 LEU 77 1HD1 LEU 77 -7.565 9.424 1.088 568 HD12 LEU 77 2HD1 LEU 77 -7.692 7.713 1.563 569 HD13 LEU 77 3HD1 LEU 77 -6.133 8.369 1.009 570 HD21 LEU 77 1HD2 LEU 77 -7.751 10.003 -1.431 571 HD22 LEU 77 2HD2 LEU 77 -8.761 8.760 -2.206 572 HD23 LEU 77 3HD2 LEU 77 -9.223 9.419 -0.619 573 H VAL 78 H VAL 78 -4.008 5.857 -1.680 574 HA VAL 78 HA VAL 78 -3.133 5.873 -4.483 575 HB VAL 78 HB VAL 78 -1.969 7.207 -2.069 576 HG11 VAL 78 1HG1 VAL 78 -0.336 6.349 -4.483 577 HG12 VAL 78 2HG1 VAL 78 0.228 7.338 -3.114 578 HG13 VAL 78 3HG1 VAL 78 -0.224 5.636 -2.856 579 HG21 VAL 78 1HG2 VAL 78 -1.394 8.880 -3.987 580 HG22 VAL 78 2HG2 VAL 78 -2.580 7.942 -4.926 581 HG23 VAL 78 3HG2 VAL 78 -3.075 8.747 -3.418 582 H GLU 79 H GLU 79 -1.476 4.323 -5.008 583 HA GLU 79 HA GLU 79 -1.051 2.359 -2.901 584 HB2 GLU 79 1HB GLU 79 -2.841 1.561 -4.449 585 HB3 GLU 79 2HB GLU 79 -1.745 1.734 -5.806 586 HG2 GLU 79 1HG GLU 79 -0.449 -0.107 -5.188 587 HG3 GLU 79 2HG GLU 79 -0.778 0.092 -3.478 588 H CYS 80 H CYS 80 1.100 2.930 -2.492 589 HA CYS 80 HA CYS 80 2.866 2.854 -4.828 590 HB2 CYS 80 1HB CYS 80 3.158 4.328 -2.195 591 HB3 CYS 80 2HB CYS 80 4.473 4.131 -3.336 592 HG CYS 80 HG CYS 80 1.886 6.016 -3.312 593 H ARG 81 H ARG 81 4.890 1.641 -4.567 594 HA ARG 81 HA ARG 81 4.739 -0.231 -2.342 595 HB2 ARG 81 1HB ARG 81 5.574 -0.717 -5.241 596 HB3 ARG 81 2HB ARG 81 5.908 -1.867 -3.961 597 HG2 ARG 81 1HG ARG 81 3.581 -2.278 -3.557 598 HG3 ARG 81 2HG ARG 81 3.085 -0.835 -4.420 599 HD2 ARG 81 1HD ARG 81 4.155 -1.937 -6.530 600 HD3 ARG 81 2HD ARG 81 4.191 -3.419 -5.595 601 HE ARG 81 HE ARG 81 1.874 -3.607 -5.851 602 HH11 ARG 81 2HH2 ARG 81 2.836 -0.292 -6.535 603 HH12 ARG 81 1HH2 ARG 81 1.263 0.188 -7.079 604 HH21 ARG 81 2HH1 ARG 81 -0.202 -2.975 -6.568 605 HH22 ARG 81 1HH1 ARG 81 -0.477 -1.349 -7.098 606 H VAL 82 H VAL 82 7.188 -1.514 -2.558 607 HA VAL 82 HA VAL 82 9.031 0.709 -2.109 608 HB VAL 82 HB VAL 82 10.332 -0.900 -0.846 609 HG11 VAL 82 1HG1 VAL 82 7.682 -0.032 -0.200 610 HG12 VAL 82 2HG1 VAL 82 7.935 -1.647 0.505 611 HG13 VAL 82 3HG1 VAL 82 9.060 -0.323 0.890 612 HG21 VAL 82 1HG2 VAL 82 10.228 -3.041 -1.519 613 HG22 VAL 82 2HG2 VAL 82 8.779 -3.152 -0.492 614 HG23 VAL 82 3HG2 VAL 82 8.612 -2.835 -2.236 615 H ARG 83 H ARG 83 8.308 -2.032 -4.211 616 HA ARG 83 HA ARG 83 10.915 -2.194 -5.267 617 HB2 ARG 83 1HB ARG 83 10.002 -3.828 -6.766 618 HB3 ARG 83 2HB ARG 83 9.073 -4.012 -5.291 619 HG2 ARG 83 1HG ARG 83 7.866 -1.982 -7.028 620 HG3 ARG 83 2HG ARG 83 8.062 -3.496 -7.889 621 HD2 ARG 83 1HD ARG 83 7.101 -4.349 -5.409 622 HD3 ARG 83 2HD ARG 83 6.250 -2.834 -5.635 623 HE ARG 83 HE ARG 83 4.996 -3.836 -7.330 624 HH11 ARG 83 2HH2 ARG 83 7.950 -5.691 -6.863 625 HH12 ARG 83 1HH2 ARG 83 7.490 -6.943 -7.968 626 HH21 ARG 83 2HH1 ARG 83 4.389 -5.488 -8.788 627 HH22 ARG 83 1HH1 ARG 83 5.451 -6.827 -9.070 628 H PHE 84 H PHE 84 8.253 -0.018 -5.651 629 HA PHE 84 HA PHE 84 9.270 0.843 -8.264 630 HB2 PHE 84 1HB PHE 84 6.624 1.264 -6.749 631 HB3 PHE 84 2HB PHE 84 6.966 2.002 -8.302 632 HD1 PHE 84 2HD PHE 84 8.371 -0.380 -9.570 633 HD2 PHE 84 1HD PHE 84 4.771 -0.069 -7.344 634 HE1 PHE 84 2HE PHE 84 7.475 -2.416 -10.734 635 HE2 PHE 84 1HE PHE 84 3.875 -2.104 -8.508 636 HZ PHE 84 HZ PHE 84 5.238 -3.253 -10.189 637 H LEU 85 H LEU 85 9.645 1.471 -5.021 638 HA LEU 85 HA LEU 85 9.311 4.301 -5.035 639 HB2 LEU 85 1HB LEU 85 9.751 2.239 -3.146 640 HB3 LEU 85 2HB LEU 85 11.083 3.366 -2.984 641 HG LEU 85 HG LEU 85 8.278 4.430 -3.074 642 HD11 LEU 85 1HD1 LEU 85 9.514 2.872 -0.829 643 HD12 LEU 85 2HD1 LEU 85 8.441 4.246 -0.469 644 HD13 LEU 85 3HD1 LEU 85 7.839 2.875 -1.433 645 HD21 LEU 85 1HD2 LEU 85 10.920 5.451 -2.531 646 HD22 LEU 85 2HD2 LEU 85 9.383 6.324 -2.737 647 HD23 LEU 85 3HD2 LEU 85 9.853 5.716 -1.132 648 H SER 86 H SER 86 11.035 5.900 -4.889 649 HA SER 86 HA SER 86 13.447 4.940 -6.220 650 HB2 SER 86 1HB SER 86 11.605 6.753 -7.232 651 HB3 SER 86 2HB SER 86 12.797 7.819 -6.516 652 HG SER 86 HG SER 86 13.553 5.640 -8.255 653 H PHE 87 H PHE 87 11.967 7.235 -3.871 654 HA PHE 87 HA PHE 87 14.096 7.017 -2.087 655 HB2 PHE 87 1HB PHE 87 15.045 8.453 -4.071 656 HB3 PHE 87 2HB PHE 87 13.899 9.689 -3.592 657 HD1 PHE 87 2HD PHE 87 14.144 10.818 -1.398 658 HD2 PHE 87 1HD PHE 87 17.052 8.077 -2.824 659 HE1 PHE 87 2HE PHE 87 15.796 11.703 0.271 660 HE2 PHE 87 1HE PHE 87 18.705 8.962 -1.155 661 HZ PHE 87 HZ PHE 87 18.057 10.764 0.373 662 H MET 88 H MET 88 13.903 8.790 -0.297 663 HA MET 88 HA MET 88 11.542 10.296 -0.233 664 HB2 MET 88 1HB MET 88 10.261 9.010 1.407 665 HB3 MET 88 2HB MET 88 10.647 7.917 0.093 666 HG2 MET 88 1HG MET 88 12.553 6.987 1.377 667 HG3 MET 88 2HG MET 88 12.283 8.142 2.667 668 HE1 MET 88 1HE MET 88 9.473 5.264 0.902 669 HE2 MET 88 2HE MET 88 11.215 5.426 0.577 670 HE3 MET 88 3HE MET 88 10.639 4.236 1.769 671 H GLY 89 H GLY 89 11.165 10.216 2.671 672 HA2 GLY 89 1HA GLY 89 13.127 10.255 4.409 673 HA3 GLY 89 2HA GLY 89 13.614 11.627 3.434 674 H VAL 90 H VAL 90 13.276 12.834 5.530 675 HA VAL 90 HA VAL 90 10.426 13.467 5.873 676 HB VAL 90 HB VAL 90 12.702 13.431 7.860 677 HG11 VAL 90 1HG1 VAL 90 9.856 14.181 8.531 678 HG12 VAL 90 2HG1 VAL 90 11.339 14.431 9.483 679 HG13 VAL 90 3HG1 VAL 90 11.042 15.407 8.025 680 HG21 VAL 90 1HG2 VAL 90 12.016 11.301 8.074 681 HG22 VAL 90 2HG2 VAL 90 10.606 11.989 8.915 682 HG23 VAL 90 3HG2 VAL 90 10.505 11.599 7.181 683 H GLY 91 H GLY 91 9.855 15.464 5.197 684 HA2 GLY 91 1HA GLY 91 11.597 17.264 4.031 685 HA3 GLY 91 2HA GLY 91 9.993 17.634 4.631 686 H LYS 92 H LYS 92 11.430 19.756 4.940 687 HA LYS 92 HA LYS 92 13.352 20.077 6.778 688 HB2 LYS 92 1HB LYS 92 11.003 21.771 5.987 689 HB3 LYS 92 2HB LYS 92 12.040 22.305 7.294 690 HG2 LYS 92 1HG LYS 92 13.207 21.402 4.634 691 HG3 LYS 92 2HG LYS 92 12.643 23.045 4.862 692 HD2 LYS 92 1HD LYS 92 14.517 21.872 6.923 693 HD3 LYS 92 2HD LYS 92 15.183 22.366 5.379 694 HE2 LYS 92 1HE LYS 92 13.819 24.606 5.814 695 HE3 LYS 92 2HE LYS 92 13.823 24.072 7.483 696 HZ1 LYS 92 1HZ LYS 92 16.374 23.839 6.262 697 HZ2 LYS 92 2HZ LYS 92 15.825 25.377 6.249 698 HZ3 LYS 92 3HZ LYS 92 15.957 24.569 7.662 699 H ASP 93 H ASP 93 9.810 20.248 7.598 700 HA ASP 93 HA ASP 93 10.392 20.124 10.346 701 HB2 ASP 93 1HB ASP 93 8.119 20.588 8.657 702 HB3 ASP 93 2HB ASP 93 7.683 19.270 9.727 703 H VAL 94 H VAL 94 9.756 18.301 11.814 704 HA VAL 94 HA VAL 94 10.389 15.765 10.639 705 HB VAL 94 HB VAL 94 10.329 14.970 12.923 706 HG11 VAL 94 1HG1 VAL 94 12.346 15.854 13.318 707 HG12 VAL 94 2HG1 VAL 94 12.063 16.903 11.908 708 HG13 VAL 94 3HG1 VAL 94 11.670 17.485 13.544 709 HG21 VAL 94 1HG2 VAL 94 8.839 15.838 14.345 710 HG22 VAL 94 2HG2 VAL 94 9.920 17.242 14.508 711 HG23 VAL 94 3HG2 VAL 94 8.598 17.271 13.318 712 H HIS 95 H HIS 95 7.594 17.630 10.781 713 HA HIS 95 HA HIS 95 5.888 15.275 11.058 714 HB2 HIS 95 1HB HIS 95 4.718 18.000 10.833 715 HB3 HIS 95 2HB HIS 95 4.209 16.630 11.800 716 HD1 HIS 95 1HD HIS 95 7.084 19.173 11.761 717 HD2 HIS 95 2HD HIS 95 4.825 16.881 14.452 718 HE1 HIS 95 1HE HIS 95 7.840 19.863 14.098 719 H THR 96 H THR 96 7.454 15.335 8.749 720 HA THR 96 HA THR 96 5.373 15.532 6.750 721 HB THR 96 HB THR 96 6.971 16.938 5.284 722 HG1 THR 96 1HG THR 96 8.000 17.497 7.969 723 HG21 THR 96 1HG2 THR 96 6.130 18.334 7.873 724 HG22 THR 96 2HG2 THR 96 6.340 19.075 6.268 725 HG23 THR 96 3HG2 THR 96 4.985 17.958 6.563 726 H PHE 97 H PHE 97 5.513 13.913 5.296 727 HA PHE 97 HA PHE 97 8.113 12.642 4.962 728 HB2 PHE 97 1HB PHE 97 6.895 11.403 6.760 729 HB3 PHE 97 2HB PHE 97 5.441 11.358 5.783 730 HD1 PHE 97 2HD PHE 97 9.032 10.371 5.413 731 HD2 PHE 97 1HD PHE 97 4.961 9.338 4.803 732 HE1 PHE 97 2HE PHE 97 9.736 8.156 4.466 733 HE2 PHE 97 1HE PHE 97 5.665 7.123 3.856 734 HZ PHE 97 HZ PHE 97 8.044 6.558 3.698 735 H ALA 98 H ALA 98 8.515 12.337 2.823 736 HA ALA 98 HA ALA 98 6.261 11.728 1.081 737 HB1 ALA 98 1HB ALA 98 7.004 14.315 1.282 738 HB2 ALA 98 2HB ALA 98 8.199 13.771 0.080 739 HB3 ALA 98 3HB ALA 98 6.460 13.587 -0.249 740 H PHE 99 H PHE 99 6.935 10.682 -0.918 741 HA PHE 99 HA PHE 99 9.755 9.975 -1.037 742 HB2 PHE 99 1HB PHE 99 9.103 7.564 -1.197 743 HB3 PHE 99 2HB PHE 99 8.533 8.228 0.321 744 HD1 PHE 99 1HD PHE 99 7.463 7.298 -3.098 745 HD2 PHE 99 2HD PHE 99 6.231 8.247 0.850 746 HE1 PHE 99 1HE PHE 99 5.130 6.552 -3.647 747 HE2 PHE 99 2HE PHE 99 3.898 7.502 0.301 748 HZ PHE 99 HZ PHE 99 3.376 6.663 -1.941 749 H ILE 100 H ILE 100 10.499 9.559 -3.140 750 HA ILE 100 HA ILE 100 8.622 10.319 -5.214 751 HB ILE 100 HB ILE 100 11.577 9.763 -5.439 752 HG12 ILE 100 1HG1 ILE 100 10.224 12.414 -4.858 753 HG13 ILE 100 2HG1 ILE 100 11.117 11.463 -3.687 754 HG21 ILE 100 1HG2 ILE 100 10.933 11.698 -7.264 755 HG22 ILE 100 2HG2 ILE 100 11.067 9.957 -7.610 756 HG23 ILE 100 3HG2 ILE 100 9.474 10.678 -7.277 757 HD11 ILE 100 1HD1 ILE 100 13.115 12.205 -4.470 758 HD12 ILE 100 2HD1 ILE 100 12.666 11.843 -6.154 759 HD13 ILE 100 3HD1 ILE 100 12.190 13.393 -5.419 760 H MET 101 H MET 101 7.421 8.806 -6.218 761 HA MET 101 HA MET 101 8.439 6.092 -6.176 762 HB2 MET 101 1HB MET 101 6.122 5.446 -6.605 763 HB3 MET 101 2HB MET 101 6.076 6.698 -5.380 764 HG2 MET 101 1HG MET 101 5.723 8.397 -7.281 765 HG3 MET 101 2HG MET 101 5.521 7.034 -8.363 766 HE1 MET 101 1HE MET 101 3.466 5.325 -8.262 767 HE2 MET 101 2HE MET 101 4.208 4.869 -6.710 768 HE3 MET 101 3HE MET 101 2.457 5.173 -6.804 769 H ASP 102 H ASP 102 8.074 4.727 -8.198 770 HA ASP 102 HA ASP 102 8.547 6.409 -10.532 771 HB2 ASP 102 1HB ASP 102 10.555 5.219 -10.263 772 HB3 ASP 102 2HB ASP 102 9.755 3.814 -9.587 773 H THR 103 H THR 103 6.509 6.419 -11.557 774 HA THR 103 HA THR 103 4.746 4.188 -11.420 775 HB THR 103 HB THR 103 3.394 5.636 -12.959 776 HG1 THR 103 1HG THR 103 4.511 7.581 -13.699 777 HG21 THR 103 1HG2 THR 103 3.399 6.290 -10.538 778 HG22 THR 103 2HG2 THR 103 4.866 7.259 -10.815 779 HG23 THR 103 3HG2 THR 103 3.333 7.723 -11.591 780 H GLY 104 H GLY 104 6.496 5.679 -14.233 781 HA2 GLY 104 1HA GLY 104 7.698 3.510 -15.276 782 HA3 GLY 104 2HA GLY 104 6.038 3.281 -15.788 783 H ASN 105 H ASN 105 8.222 3.730 -17.603 784 HA ASN 105 HA ASN 105 8.369 4.794 -19.525 785 HB2 ASN 105 1HB ASN 105 5.937 5.814 -18.740 786 HB3 ASN 105 2HB ASN 105 6.891 7.284 -18.720 787 HD21 ASN 105 1HD2 ASN 105 4.732 6.075 -20.498 788 HD22 ASN 105 2HD2 ASN 105 5.316 6.272 -22.116 789 H GLN 106 H GLN 106 8.011 7.271 -16.862 790 HA GLN 106 HA GLN 106 10.534 7.725 -16.252 791 HB2 GLN 106 1HB GLN 106 10.023 8.780 -18.978 792 HB3 GLN 106 2HB GLN 106 10.757 9.945 -17.893 793 HG2 GLN 106 1HG GLN 106 12.737 8.764 -17.731 794 HG3 GLN 106 2HG GLN 106 11.940 7.204 -17.786 795 HE21 GLN 106 1HE2 GLN 106 13.406 6.415 -19.276 796 HE22 GLN 106 2HE2 GLN 106 13.392 6.857 -20.950 797 H ARG 107 H ARG 107 8.128 7.937 -14.973 798 HA ARG 107 HA ARG 107 7.929 10.813 -14.569 799 HB2 ARG 107 1HB ARG 107 5.828 8.800 -15.093 800 HB3 ARG 107 2HB ARG 107 5.506 9.722 -13.637 801 HG2 ARG 107 1HG ARG 107 6.312 11.121 -16.214 802 HG3 ARG 107 2HG ARG 107 4.646 10.658 -15.931 803 HD2 ARG 107 1HD ARG 107 4.340 12.232 -14.251 804 HD3 ARG 107 2HD ARG 107 5.990 12.101 -13.673 805 HE ARG 107 HE ARG 107 6.336 13.259 -16.145 806 HH11 ARG 107 2HH2 ARG 107 4.260 14.041 -13.413 807 HH12 ARG 107 1HH2 ARG 107 4.240 15.740 -13.751 808 HH21 ARG 107 2HH1 ARG 107 6.311 15.500 -16.590 809 HH22 ARG 107 1HH1 ARG 107 5.415 16.575 -15.570 810 H PHE 108 H PHE 108 7.776 11.517 -12.354 811 HA PHE 108 HA PHE 108 7.952 9.384 -10.359 812 HB2 PHE 108 1HB PHE 108 9.615 11.968 -10.460 813 HB3 PHE 108 2HB PHE 108 9.826 10.652 -9.322 814 HD1 PHE 108 2HD PHE 108 10.201 8.274 -10.586 815 HD2 PHE 108 1HD PHE 108 11.168 12.100 -12.148 816 HE1 PHE 108 2HE PHE 108 11.892 7.223 -12.114 817 HE2 PHE 108 1HE PHE 108 12.859 11.048 -13.676 818 HZ PHE 108 HZ PHE 108 13.201 8.623 -13.640 819 H GLU 109 H GLU 109 6.309 9.657 -8.931 820 HA GLU 109 HA GLU 109 5.378 12.389 -8.549 821 HB2 GLU 109 1HB GLU 109 3.958 9.746 -7.996 822 HB3 GLU 109 2HB GLU 109 3.264 11.334 -7.735 823 HG2 GLU 109 1HG GLU 109 3.670 11.830 -10.209 824 HG3 GLU 109 2HG GLU 109 4.152 10.157 -10.409 825 H CYS 110 H CYS 110 5.578 13.369 -6.557 826 HA CYS 110 HA CYS 110 6.707 11.692 -4.449 827 HB2 CYS 110 1HB CYS 110 7.955 13.758 -5.341 828 HB3 CYS 110 2HB CYS 110 6.741 14.717 -4.517 829 HG CYS 110 HG CYS 110 7.048 13.574 -2.158 830 H HIS 111 H HIS 111 5.118 10.965 -3.067 831 HA HIS 111 HA HIS 111 2.747 12.592 -2.739 832 HB2 HIS 111 1HB HIS 111 3.458 9.790 -1.834 833 HB3 HIS 111 2HB HIS 111 1.945 10.584 -1.446 834 HD1 HIS 111 1HD HIS 111 0.131 10.660 -3.256 835 HD2 HIS 111 2HD HIS 111 3.796 9.155 -4.634 836 HE1 HIS 111 1HE HIS 111 -0.319 9.697 -5.575 837 H VAL 112 H VAL 112 3.061 14.291 -1.354 838 HA VAL 112 HA VAL 112 4.775 13.950 0.936 839 HB VAL 112 HB VAL 112 3.114 16.243 -0.120 840 HG11 VAL 112 1HG1 VAL 112 4.749 17.505 1.547 841 HG12 VAL 112 2HG1 VAL 112 3.189 16.846 2.095 842 HG13 VAL 112 3HG1 VAL 112 4.694 15.948 2.407 843 HG21 VAL 112 1HG2 VAL 112 4.942 15.853 -1.579 844 HG22 VAL 112 2HG2 VAL 112 5.439 17.204 -0.532 845 HG23 VAL 112 3HG2 VAL 112 6.063 15.565 -0.226 846 H PHE 113 H PHE 113 4.116 13.987 3.130 847 HA PHE 113 HA PHE 113 1.260 13.975 3.637 848 HB2 PHE 113 1HB PHE 113 3.257 11.731 4.309 849 HB3 PHE 113 2HB PHE 113 1.632 11.797 4.959 850 HD1 PHE 113 1HD PHE 113 -0.316 11.731 3.298 851 HD2 PHE 113 2HD PHE 113 3.667 10.724 2.234 852 HE1 PHE 113 1HE PHE 113 -1.167 10.478 1.297 853 HE2 PHE 113 2HE PHE 113 2.815 9.471 0.233 854 HZ PHE 113 HZ PHE 113 0.409 9.363 -0.212 855 H TRP 114 H TRP 114 0.804 13.974 6.049 856 HA TRP 114 HA TRP 114 3.041 15.279 7.445 857 HB2 TRP 114 1HB TRP 114 1.285 16.854 6.969 858 HB3 TRP 114 2HB TRP 114 0.067 15.778 7.624 859 HD1 TRP 114 HD TRP 114 0.075 15.488 10.386 860 HE1 TRP 114 1HE TRP 114 0.849 17.060 12.360 861 HE3 TRP 114 3HE TRP 114 2.992 18.519 7.529 862 HZ2 TRP 114 2HZ TRP 114 2.555 19.342 12.502 863 HZ3 TRP 114 3HZ TRP 114 4.177 20.396 8.664 864 HH2 TRP 114 HH TRP 114 3.995 20.830 11.062 865 H CYS 115 H CYS 115 3.918 13.847 8.882 866 HA CYS 115 HA CYS 115 2.069 11.956 10.136 867 HB2 CYS 115 1HB CYS 115 5.061 11.607 10.136 868 HB3 CYS 115 2HB CYS 115 3.806 10.398 10.321 869 HG CYS 115 HG CYS 115 4.788 12.102 7.675 870 H GLU 116 H GLU 116 2.144 11.747 12.457 871 HA GLU 116 HA GLU 116 3.809 13.734 13.778 872 HB2 GLU 116 1HB GLU 116 0.877 13.197 14.426 873 HB3 GLU 116 2HB GLU 116 1.925 14.304 15.289 874 HG2 GLU 116 1HG GLU 116 1.759 15.926 13.676 875 HG3 GLU 116 2HG GLU 116 1.898 14.774 12.363 876 HA PRO 117 HA PRO 117 3.932 14.285 15.769 877 HB2 PRO 117 1HB PRO 117 6.090 14.238 17.446 878 HB3 PRO 117 2HB PRO 117 4.433 14.269 18.016 879 HG2 PRO 117 1HG PRO 117 6.334 12.005 17.963 880 HG3 PRO 117 2HG PRO 117 4.859 12.179 18.894 881 HD2 PRO 117 1HD PRO 117 5.219 10.599 16.527 882 HD3 PRO 117 2HD PRO 117 3.718 10.866 17.391 883 H ASN 118 H ASN 118 6.386 11.897 15.101 884 HA ASN 118 HA ASN 118 7.541 13.884 13.305 885 HB2 ASN 118 1HB ASN 118 9.687 12.370 13.631 886 HB3 ASN 118 2HB ASN 118 9.281 13.539 14.872 887 HD21 ASN 118 1HD2 ASN 118 10.498 12.238 16.314 888 HD22 ASN 118 2HD2 ASN 118 9.820 10.827 17.055 889 H ALA 119 H ALA 119 8.539 12.871 11.298 890 HA ALA 119 HA ALA 119 6.945 10.597 10.459 891 HB1 ALA 119 1HB ALA 119 8.222 11.237 8.242 892 HB2 ALA 119 2HB ALA 119 6.906 12.275 8.842 893 HB3 ALA 119 3HB ALA 119 8.602 12.734 9.127 894 H ALA 120 H ALA 120 8.803 9.952 12.496 895 HA ALA 120 HA ALA 120 11.099 8.817 11.125 896 HB1 ALA 120 1HB ALA 120 12.096 9.023 13.136 897 HB2 ALA 120 2HB ALA 120 10.649 9.921 13.656 898 HB3 ALA 120 3HB ALA 120 10.768 8.171 13.960 899 H ASN 121 H ASN 121 8.274 7.769 13.149 900 HA ASN 121 HA ASN 121 8.779 5.084 12.984 901 HB2 ASN 121 1HB ASN 121 6.198 4.908 13.303 902 HB3 ASN 121 2HB ASN 121 7.090 5.793 14.525 903 HD21 ASN 121 1HD2 ASN 121 4.329 5.844 13.000 904 HD22 ASN 121 2HD2 ASN 121 4.024 7.534 12.780 905 H VAL 122 H VAL 122 6.723 7.261 10.918 906 HA VAL 122 HA VAL 122 5.797 5.288 9.183 907 HB VAL 122 HB VAL 122 6.170 8.268 9.007 908 HG11 VAL 122 1HG1 VAL 122 6.450 7.453 6.729 909 HG12 VAL 122 2HG1 VAL 122 4.980 6.462 6.874 910 HG13 VAL 122 3HG1 VAL 122 4.862 8.237 6.904 911 HG21 VAL 122 1HG2 VAL 122 3.543 6.840 8.815 912 HG22 VAL 122 2HG2 VAL 122 4.352 6.931 10.398 913 HG23 VAL 122 3HG2 VAL 122 3.935 8.425 9.524 914 H SER 123 H SER 123 8.369 7.776 8.514 915 HA SER 123 HA SER 123 9.277 6.761 6.217 916 HB2 SER 123 1HB SER 123 10.166 8.830 7.052 917 HB3 SER 123 2HB SER 123 10.777 8.074 8.510 918 HG SER 123 HG SER 123 11.765 7.031 6.065 919 H GLU 124 H GLU 124 9.962 5.598 9.542 920 HA GLU 124 HA GLU 124 11.998 3.835 8.765 921 HB2 GLU 124 1HB GLU 124 10.306 4.243 11.225 922 HB3 GLU 124 2HB GLU 124 11.216 2.751 11.088 923 HG2 GLU 124 1HG GLU 124 12.769 5.196 10.392 924 HG3 GLU 124 2HG GLU 124 12.231 5.138 12.059 925 H ALA 125 H ALA 125 8.525 3.278 9.708 926 HA ALA 125 HA ALA 125 8.443 0.583 9.199 927 HB1 ALA 125 1HB ALA 125 6.086 2.282 8.464 928 HB2 ALA 125 2HB ALA 125 6.169 0.826 9.484 929 HB3 ALA 125 3HB ALA 125 6.705 2.396 10.129 930 H VAL 126 H VAL 126 8.521 3.337 6.964 931 HA VAL 126 HA VAL 126 7.664 1.785 4.715 932 HB VAL 126 HB VAL 126 8.954 4.510 4.961 933 HG11 VAL 126 1HG1 VAL 126 7.418 3.508 2.562 934 HG12 VAL 126 2HG1 VAL 126 8.516 4.903 2.691 935 HG13 VAL 126 3HG1 VAL 126 9.172 3.248 2.716 936 HG21 VAL 126 1HG2 VAL 126 6.814 5.450 4.932 937 HG22 VAL 126 2HG2 VAL 126 6.059 3.961 4.315 938 HG23 VAL 126 3HG2 VAL 126 6.625 4.039 6.001 939 H GLN 127 H GLN 127 10.808 3.288 5.761 940 HA GLN 127 HA GLN 127 12.314 2.217 3.751 941 HB2 GLN 127 1HB GLN 127 13.079 2.872 6.629 942 HB3 GLN 127 2HB GLN 127 14.249 2.520 5.372 943 HG2 GLN 127 1HG GLN 127 12.397 4.490 4.345 944 HG3 GLN 127 2HG GLN 127 12.931 5.021 5.928 945 HE21 GLN 127 1HE2 GLN 127 13.499 5.793 3.039 946 HE22 GLN 127 2HE2 GLN 127 15.224 5.907 2.931 947 H ALA 128 H ALA 128 11.488 0.844 6.993 948 HA ALA 128 HA ALA 128 13.050 -1.325 7.131 949 HB1 ALA 128 1HB ALA 128 10.254 -0.671 7.923 950 HB2 ALA 128 2HB ALA 128 10.690 -2.396 7.950 951 HB3 ALA 128 3HB ALA 128 11.624 -1.227 8.914 952 H ALA 129 H ALA 129 10.394 -0.745 4.828 953 HA ALA 129 HA ALA 129 10.415 -3.466 3.897 954 HB1 ALA 129 1HB ALA 129 8.333 -2.234 3.880 955 HB2 ALA 129 2HB ALA 129 9.067 -0.910 2.942 956 HB3 ALA 129 3HB ALA 129 8.825 -2.506 2.191 957 H CYS 130 H CYS 130 11.328 -0.216 2.543 958 HA CYS 130 HA CYS 130 12.332 -1.013 0.171 959 HB2 CYS 130 1HB CYS 130 12.131 1.347 1.055 960 HB3 CYS 130 2HB CYS 130 13.637 1.097 1.914 961 HG CYS 130 HG CYS 130 13.597 0.079 -1.159 962 H SER 131 H SER 131 14.015 -0.919 3.387 963 HA SER 131 HA SER 131 16.437 -1.864 2.416 964 HB2 SER 131 1HB SER 131 15.651 -0.815 4.764 965 HB3 SER 131 2HB SER 131 15.560 -2.504 5.225 966 HG SER 131 HG SER 131 17.787 -0.901 4.853 967 H GLY 132 H GLY 132 13.610 -3.525 3.967 968 HA2 GLY 132 1HA GLY 132 12.838 -5.633 3.531 969 HA3 GLY 132 2HA GLY 132 14.245 -5.964 2.540 970 HA PRO 133 HA PRO 133 14.727 -7.584 6.918 971 HB2 PRO 133 1HB PRO 133 13.406 -9.976 6.920 972 HB3 PRO 133 2HB PRO 133 12.727 -8.507 7.590 973 HG2 PRO 133 1HG PRO 133 12.065 -9.863 5.049 974 HG3 PRO 133 2HG PRO 133 11.134 -8.668 5.930 975 HD2 PRO 133 1HD PRO 133 12.692 -8.226 3.562 976 HD3 PRO 133 2HD PRO 133 11.857 -7.011 4.509 977 H SER 134 H SER 134 16.711 -7.436 5.418 978 HA SER 134 HA SER 134 17.741 -10.119 5.463 979 HB2 SER 134 1HB SER 134 16.908 -8.831 3.004 980 HB3 SER 134 2HB SER 134 18.651 -9.014 2.981 981 HG SER 134 HG SER 134 17.281 -10.875 2.166 982 H SER 135 H SER 135 20.173 -10.118 5.220 983 HA SER 135 HA SER 135 21.184 -7.657 6.337 984 HB2 SER 135 1HB SER 135 21.648 -9.915 7.392 985 HB3 SER 135 2HB SER 135 22.593 -10.338 5.978 986 HG SER 135 HG SER 135 23.910 -8.370 6.453 987 H GLY 136 H GLY 136 22.536 -6.260 5.218 988 HA2 GLY 136 1HA GLY 136 24.165 -5.705 3.669 989 HA3 GLY 136 2HA GLY 136 23.915 -7.223 2.829 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -26.646 -7.882 -22.287 2 HA2 GLY 1 1HA GLY 1 -26.243 -5.806 -20.232 3 HA3 GLY 1 2HA GLY 1 -26.406 -7.528 -19.952 4 H SER 2 H SER 2 -24.348 -7.191 -18.680 5 HA SER 2 HA SER 2 -22.207 -8.180 -20.099 6 HB2 SER 2 1HB SER 2 -20.710 -6.378 -20.388 7 HB3 SER 2 2HB SER 2 -22.242 -5.720 -20.926 8 HG SER 2 HG SER 2 -21.048 -4.288 -19.467 9 H SER 3 H SER 3 -20.995 -9.263 -18.571 10 HA SER 3 HA SER 3 -21.503 -8.539 -15.824 11 HB2 SER 3 1HB SER 3 -21.455 -10.969 -17.047 12 HB3 SER 3 2HB SER 3 -19.786 -10.895 -16.519 13 HG SER 3 HG SER 3 -22.149 -10.651 -14.863 14 H GLY 4 H GLY 4 -19.452 -8.931 -14.298 15 HA2 GLY 4 1HA GLY 4 -17.043 -7.826 -15.596 16 HA3 GLY 4 2HA GLY 4 -17.718 -7.071 -14.166 17 H SER 5 H SER 5 -16.043 -7.502 -12.703 18 HA SER 5 HA SER 5 -16.100 -9.949 -11.444 19 HB2 SER 5 1HB SER 5 -14.544 -10.100 -13.776 20 HB3 SER 5 2HB SER 5 -13.357 -9.856 -12.509 21 HG SER 5 HG SER 5 -13.945 -11.751 -11.511 22 H SER 6 H SER 6 -14.125 -10.093 -9.804 23 HA SER 6 HA SER 6 -12.554 -7.858 -9.397 24 HB2 SER 6 1HB SER 6 -15.042 -7.072 -8.819 25 HB3 SER 6 2HB SER 6 -14.727 -7.895 -7.304 26 HG SER 6 HG SER 6 -14.156 -5.551 -7.389 27 H GLY 7 H GLY 7 -11.170 -8.144 -7.493 28 HA2 GLY 7 1HA GLY 7 -11.667 -10.545 -5.886 29 HA3 GLY 7 2HA GLY 7 -10.210 -10.488 -6.858 30 HA PRO 8 HA PRO 8 -9.997 -7.618 -3.076 31 HB2 PRO 8 1HB PRO 8 -10.504 -9.017 -0.784 32 HB3 PRO 8 2HB PRO 8 -11.684 -7.971 -1.549 33 HG2 PRO 8 1HG PRO 8 -11.562 -10.925 -1.530 34 HG3 PRO 8 2HG PRO 8 -12.921 -9.885 -1.906 35 HD2 PRO 8 1HD PRO 8 -11.284 -11.315 -3.778 36 HD3 PRO 8 2HD PRO 8 -12.568 -10.185 -4.158 37 H THR 9 H THR 9 -8.417 -7.630 -1.124 38 HA THR 9 HA THR 9 -6.366 -9.635 -1.801 39 HB THR 9 HB THR 9 -5.965 -7.218 -2.605 40 HG1 THR 9 1HG THR 9 -4.351 -8.534 -0.537 41 HG21 THR 9 1HG2 THR 9 -6.876 -6.262 -0.315 42 HG22 THR 9 2HG2 THR 9 -5.272 -6.710 0.314 43 HG23 THR 9 3HG2 THR 9 -5.411 -5.534 -1.015 44 HA PRO 10 HA PRO 10 -6.602 -10.657 2.374 45 HB2 PRO 10 1HB PRO 10 -4.451 -12.336 2.521 46 HB3 PRO 10 2HB PRO 10 -6.022 -12.841 1.931 47 HG2 PRO 10 1HG PRO 10 -3.561 -12.273 0.395 48 HG3 PRO 10 2HG PRO 10 -4.983 -13.168 -0.102 49 HD2 PRO 10 1HD PRO 10 -4.290 -10.489 -0.857 50 HD3 PRO 10 2HD PRO 10 -5.767 -11.343 -1.259 51 H LYS 11 H LYS 11 -5.142 -10.864 4.421 52 HA LYS 11 HA LYS 11 -3.915 -8.284 4.597 53 HB2 LYS 11 1HB LYS 11 -5.298 -9.242 6.407 54 HB3 LYS 11 2HB LYS 11 -4.128 -10.527 6.628 55 HG2 LYS 11 1HG LYS 11 -2.600 -8.135 6.678 56 HG3 LYS 11 2HG LYS 11 -4.044 -7.765 7.599 57 HD2 LYS 11 1HD LYS 11 -3.337 -10.350 8.472 58 HD3 LYS 11 2HD LYS 11 -1.796 -9.536 8.288 59 HE2 LYS 11 1HE LYS 11 -2.422 -8.992 10.506 60 HE3 LYS 11 2HE LYS 11 -2.885 -7.561 9.606 61 HZ1 LYS 11 1HZ LYS 11 -4.547 -8.715 11.183 62 HZ2 LYS 11 2HZ LYS 11 -5.075 -8.085 9.771 63 HZ3 LYS 11 3HZ LYS 11 -4.834 -9.695 9.908 64 H THR 12 H THR 12 -2.559 -11.416 5.785 65 HA THR 12 HA THR 12 -0.530 -12.307 5.598 66 HB THR 12 HB THR 12 -0.370 -10.638 3.033 67 HG1 THR 12 1HG THR 12 -1.191 -13.389 3.644 68 HG21 THR 12 1HG2 THR 12 1.145 -12.401 2.249 69 HG22 THR 12 2HG2 THR 12 1.801 -11.757 3.774 70 HG23 THR 12 3HG2 THR 12 0.932 -13.311 3.765 71 H GLU 13 H GLU 13 1.044 -11.880 7.000 72 HA GLU 13 HA GLU 13 2.533 -10.807 8.159 73 HB2 GLU 13 1HB GLU 13 2.775 -9.305 5.539 74 HB3 GLU 13 2HB GLU 13 3.739 -8.817 6.919 75 HG2 GLU 13 1HG GLU 13 4.292 -11.437 7.050 76 HG3 GLU 13 2HG GLU 13 3.829 -11.404 5.361 77 H LEU 14 H LEU 14 2.789 -9.026 9.654 78 HA LEU 14 HA LEU 14 0.418 -7.711 10.265 79 HB2 LEU 14 1HB LEU 14 2.789 -8.229 11.512 80 HB3 LEU 14 2HB LEU 14 2.917 -6.502 11.245 81 HG LEU 14 HG LEU 14 0.302 -7.018 12.269 82 HD11 LEU 14 1HD1 LEU 14 0.607 -8.206 14.255 83 HD12 LEU 14 2HD1 LEU 14 1.486 -9.167 13.041 84 HD13 LEU 14 3HD1 LEU 14 2.382 -8.109 14.157 85 HD21 LEU 14 1HD2 LEU 14 0.854 -5.387 13.839 86 HD22 LEU 14 2HD2 LEU 14 2.579 -5.826 13.839 87 HD23 LEU 14 3HD2 LEU 14 1.875 -4.984 12.438 88 H VAL 15 H VAL 15 -0.224 -5.496 10.094 89 HA VAL 15 HA VAL 15 1.212 -4.064 7.965 90 HB VAL 15 HB VAL 15 -1.741 -4.351 8.520 91 HG11 VAL 15 1HG1 VAL 15 -2.194 -2.686 6.834 92 HG12 VAL 15 2HG1 VAL 15 -1.138 -1.966 8.072 93 HG13 VAL 15 3HG1 VAL 15 -0.457 -2.475 6.508 94 HG21 VAL 15 1HG2 VAL 15 0.010 -5.768 6.857 95 HG22 VAL 15 2HG2 VAL 15 -1.769 -5.777 6.799 96 HG23 VAL 15 3HG2 VAL 15 -0.850 -4.654 5.768 97 H GLN 16 H GLN 16 1.296 -1.737 8.164 98 HA GLN 16 HA GLN 16 0.712 -0.862 10.886 99 HB2 GLN 16 1HB GLN 16 3.205 -0.632 9.252 100 HB3 GLN 16 2HB GLN 16 2.760 0.795 10.167 101 HG2 GLN 16 1HG GLN 16 2.708 -0.482 12.260 102 HG3 GLN 16 2HG GLN 16 2.925 -1.993 11.399 103 HE21 GLN 16 1HE2 GLN 16 4.870 -1.814 9.754 104 HE22 GLN 16 2HE2 GLN 16 6.364 -1.280 10.448 105 H LYS 17 H LYS 17 -0.990 0.540 10.795 106 HA LYS 17 HA LYS 17 -1.162 2.266 8.432 107 HB2 LYS 17 1HB LYS 17 -3.140 0.833 10.087 108 HB3 LYS 17 2HB LYS 17 -3.577 2.489 9.716 109 HG2 LYS 17 1HG LYS 17 -3.413 2.110 7.336 110 HG3 LYS 17 2HG LYS 17 -2.581 0.583 7.558 111 HD2 LYS 17 1HD LYS 17 -4.977 0.252 9.003 112 HD3 LYS 17 2HD LYS 17 -5.471 1.154 7.585 113 HE2 LYS 17 1HE LYS 17 -4.335 -0.536 6.120 114 HE3 LYS 17 2HE LYS 17 -3.855 -1.441 7.542 115 HZ1 LYS 17 1HZ LYS 17 -5.830 -2.377 7.556 116 HZ2 LYS 17 2HZ LYS 17 -6.592 -0.938 7.669 117 HZ3 LYS 17 3HZ LYS 17 -6.257 -1.571 6.202 118 H PHE 18 H PHE 18 -0.907 4.445 8.630 119 HA PHE 18 HA PHE 18 -0.913 5.506 11.364 120 HB2 PHE 18 1HB PHE 18 1.002 5.963 9.001 121 HB3 PHE 18 2HB PHE 18 1.001 6.995 10.418 122 HD1 PHE 18 2HD PHE 18 1.416 5.847 12.697 123 HD2 PHE 18 1HD PHE 18 2.305 4.031 8.966 124 HE1 PHE 18 2HE PHE 18 3.007 4.278 13.840 125 HE2 PHE 18 1HE PHE 18 3.896 2.462 10.109 126 HZ PHE 18 HZ PHE 18 4.228 2.604 12.532 127 H ARG 19 H ARG 19 -2.504 7.006 11.543 128 HA ARG 19 HA ARG 19 -3.795 8.017 9.310 129 HB2 ARG 19 1HB ARG 19 -4.479 7.828 11.897 130 HB3 ARG 19 2HB ARG 19 -3.870 9.469 11.967 131 HG2 ARG 19 1HG ARG 19 -5.495 9.356 9.627 132 HG3 ARG 19 2HG ARG 19 -6.389 8.493 10.863 133 HD2 ARG 19 1HD ARG 19 -5.346 10.793 12.175 134 HD3 ARG 19 2HD ARG 19 -5.900 11.369 10.615 135 HE ARG 19 HE ARG 19 -8.087 11.070 11.356 136 HH11 ARG 19 2HH2 ARG 19 -5.992 8.909 13.179 137 HH12 ARG 19 1HH2 ARG 19 -7.267 8.320 14.192 138 HH21 ARG 19 2HH1 ARG 19 -9.770 10.294 12.693 139 HH22 ARG 19 1HH1 ARG 19 -9.431 9.114 13.914 140 H VAL 20 H VAL 20 -2.593 9.259 7.851 141 HA VAL 20 HA VAL 20 -1.299 11.637 8.991 142 HB VAL 20 HB VAL 20 0.444 11.450 7.357 143 HG11 VAL 20 1HG1 VAL 20 0.592 8.648 8.198 144 HG12 VAL 20 2HG1 VAL 20 1.634 10.029 8.619 145 HG13 VAL 20 3HG1 VAL 20 0.124 9.745 9.519 146 HG21 VAL 20 1HG2 VAL 20 -1.308 9.315 6.216 147 HG22 VAL 20 2HG2 VAL 20 -0.332 10.558 5.397 148 HG23 VAL 20 3HG2 VAL 20 0.455 9.111 6.072 149 H GLN 21 H GLN 21 -1.307 13.532 7.558 150 HA GLN 21 HA GLN 21 -3.758 13.560 6.058 151 HB2 GLN 21 1HB GLN 21 -1.885 15.639 7.177 152 HB3 GLN 21 2HB GLN 21 -2.939 16.102 5.856 153 HG2 GLN 21 1HG GLN 21 -4.930 15.476 7.118 154 HG3 GLN 21 2HG GLN 21 -3.969 14.721 8.374 155 HE21 GLN 21 1HE2 GLN 21 -5.649 17.415 7.518 156 HE22 GLN 21 2HE2 GLN 21 -4.964 18.594 8.587 157 H TYR 22 H TYR 22 -3.930 14.120 3.818 158 HA TYR 22 HA TYR 22 -1.492 13.532 2.331 159 HB2 TYR 22 1HB TYR 22 -4.011 12.574 2.139 160 HB3 TYR 22 2HB TYR 22 -4.311 14.063 1.265 161 HD1 TYR 22 1HD TYR 22 -1.147 13.735 0.295 162 HD2 TYR 22 2HD TYR 22 -4.791 11.522 -0.061 163 HE1 TYR 22 1HE TYR 22 -0.290 12.653 -1.840 164 HE2 TYR 22 2HE TYR 22 -3.922 10.448 -2.195 165 HH TYR 22 HH TYR 22 -2.072 11.332 -4.030 166 H LEU 23 H LEU 23 -0.238 15.349 2.068 167 HA LEU 23 HA LEU 23 -1.364 17.929 1.830 168 HB2 LEU 23 1HB LEU 23 1.328 16.692 1.696 169 HB3 LEU 23 2HB LEU 23 1.136 18.237 0.891 170 HG LEU 23 HG LEU 23 -0.055 18.715 3.331 171 HD11 LEU 23 1HD1 LEU 23 2.403 17.590 4.391 172 HD12 LEU 23 2HD1 LEU 23 0.728 17.440 4.975 173 HD13 LEU 23 3HD1 LEU 23 1.337 16.332 3.722 174 HD21 LEU 23 1HD2 LEU 23 2.887 19.187 3.023 175 HD22 LEU 23 2HD2 LEU 23 1.755 19.944 1.876 176 HD23 LEU 23 3HD2 LEU 23 1.608 20.272 3.619 177 H GLY 24 H GLY 24 -0.135 15.476 -0.509 178 HA2 GLY 24 1HA GLY 24 -1.713 15.656 -2.553 179 HA3 GLY 24 2HA GLY 24 -0.955 17.227 -2.723 180 H MET 25 H MET 25 -0.791 15.042 -4.644 181 HA MET 25 HA MET 25 1.904 14.060 -4.282 182 HB2 MET 25 1HB MET 25 -0.008 12.562 -5.055 183 HB3 MET 25 2HB MET 25 -0.155 13.541 -6.500 184 HG2 MET 25 1HG MET 25 2.448 13.009 -6.771 185 HG3 MET 25 2HG MET 25 2.085 11.666 -5.705 186 HE1 MET 25 1HE MET 25 1.763 13.424 -8.863 187 HE2 MET 25 2HE MET 25 1.040 12.289 -10.028 188 HE3 MET 25 3HE MET 25 -0.007 13.276 -8.981 189 H LEU 26 H LEU 26 3.504 15.463 -4.897 190 HA LEU 26 HA LEU 26 2.998 17.075 -7.294 191 HB2 LEU 26 1HB LEU 26 3.646 17.965 -4.866 192 HB3 LEU 26 2HB LEU 26 5.265 17.632 -5.448 193 HG LEU 26 HG LEU 26 3.579 19.158 -7.334 194 HD11 LEU 26 1HD1 LEU 26 3.493 21.198 -6.175 195 HD12 LEU 26 2HD1 LEU 26 2.901 19.985 -5.015 196 HD13 LEU 26 3HD1 LEU 26 4.562 20.611 -4.878 197 HD21 LEU 26 1HD2 LEU 26 5.558 19.886 -8.078 198 HD22 LEU 26 2HD2 LEU 26 6.147 20.264 -6.442 199 HD23 LEU 26 3HD2 LEU 26 6.251 18.599 -7.063 200 HA PRO 27 HA PRO 27 5.961 14.680 -9.338 201 HB2 PRO 27 1HB PRO 27 6.438 16.277 -11.504 202 HB3 PRO 27 2HB PRO 27 5.058 15.203 -11.390 203 HG2 PRO 27 1HG PRO 27 5.147 18.144 -11.103 204 HG3 PRO 27 2HG PRO 27 3.765 17.113 -11.416 205 HD2 PRO 27 1HD PRO 27 4.462 18.340 -8.918 206 HD3 PRO 27 2HD PRO 27 3.147 17.217 -9.204 207 H VAL 28 H VAL 28 8.214 14.675 -10.295 208 HA VAL 28 HA VAL 28 9.809 16.866 -9.310 209 HB VAL 28 HB VAL 28 11.219 15.492 -7.907 210 HG11 VAL 28 1HG1 VAL 28 9.285 16.661 -6.896 211 HG12 VAL 28 2HG1 VAL 28 8.306 15.189 -7.103 212 HG13 VAL 28 3HG1 VAL 28 9.716 15.175 -6.016 213 HG21 VAL 28 1HG2 VAL 28 9.456 13.283 -8.899 214 HG22 VAL 28 2HG2 VAL 28 11.218 13.315 -8.645 215 HG23 VAL 28 3HG2 VAL 28 10.119 13.170 -7.251 216 H ASP 29 H ASP 29 12.188 16.479 -9.945 217 HA ASP 29 HA ASP 29 12.130 15.069 -12.491 218 HB2 ASP 29 1HB ASP 29 13.007 17.684 -11.730 219 HB3 ASP 29 2HB ASP 29 14.460 16.779 -12.107 220 H ARG 30 H ARG 30 14.000 15.762 -9.476 221 HA ARG 30 HA ARG 30 15.879 13.693 -10.211 222 HB2 ARG 30 1HB ARG 30 16.013 16.150 -8.674 223 HB3 ARG 30 2HB ARG 30 16.474 14.824 -7.625 224 HG2 ARG 30 1HG ARG 30 17.657 15.284 -10.404 225 HG3 ARG 30 2HG ARG 30 18.402 15.848 -8.921 226 HD2 ARG 30 1HD ARG 30 19.314 13.802 -8.543 227 HD3 ARG 30 2HD ARG 30 17.736 13.042 -8.603 228 HE ARG 30 HE ARG 30 18.327 13.513 -11.276 229 HH11 ARG 30 2HH2 ARG 30 19.977 11.855 -8.648 230 HH12 ARG 30 1HH2 ARG 30 20.780 10.729 -9.691 231 HH21 ARG 30 2HH1 ARG 30 19.385 12.028 -12.653 232 HH22 ARG 30 1HH1 ARG 30 20.441 10.828 -11.985 233 HA PRO 31 HA PRO 31 13.611 11.057 -7.502 234 HB2 PRO 31 1HB PRO 31 14.973 8.748 -8.030 235 HB3 PRO 31 2HB PRO 31 13.637 9.318 -9.010 236 HG2 PRO 31 1HG PRO 31 16.531 9.380 -9.608 237 HG3 PRO 31 2HG PRO 31 15.179 9.541 -10.711 238 HD2 PRO 31 1HD PRO 31 16.852 11.653 -9.727 239 HD3 PRO 31 2HD PRO 31 15.430 11.826 -10.737 240 H VAL 32 H VAL 32 16.694 12.186 -7.205 241 HA VAL 32 HA VAL 32 16.686 11.427 -4.422 242 HB VAL 32 HB VAL 32 18.869 10.419 -4.448 243 HG11 VAL 32 1HG1 VAL 32 16.914 8.949 -4.755 244 HG12 VAL 32 2HG1 VAL 32 17.083 9.099 -6.521 245 HG13 VAL 32 3HG1 VAL 32 18.360 8.305 -5.569 246 HG21 VAL 32 1HG2 VAL 32 20.056 9.887 -6.535 247 HG22 VAL 32 2HG2 VAL 32 18.807 10.747 -7.468 248 HG23 VAL 32 3HG2 VAL 32 19.847 11.643 -6.335 249 H GLY 33 H GLY 33 18.206 12.741 -3.163 250 HA2 GLY 33 1HA GLY 33 20.045 14.460 -3.612 251 HA3 GLY 33 2HA GLY 33 18.815 15.260 -4.570 252 H MET 34 H MET 34 16.784 13.983 -2.468 253 HA MET 34 HA MET 34 15.779 14.584 -0.633 254 HB2 MET 34 1HB MET 34 18.620 15.120 -0.047 255 HB3 MET 34 2HB MET 34 17.589 16.234 0.829 256 HG2 MET 34 1HG MET 34 16.332 13.689 1.081 257 HG3 MET 34 2HG MET 34 18.042 13.387 1.314 258 HE1 MET 34 1HE MET 34 15.535 13.574 4.146 259 HE2 MET 34 2HE MET 34 14.989 15.242 3.847 260 HE3 MET 34 3HE MET 34 14.982 14.052 2.524 261 H ASP 35 H ASP 35 17.991 17.350 -1.491 262 HA ASP 35 HA ASP 35 16.598 19.413 -0.662 263 HB2 ASP 35 1HB ASP 35 17.913 19.053 -3.390 264 HB3 ASP 35 2HB ASP 35 17.355 20.612 -2.817 265 H THR 36 H THR 36 16.107 17.792 -3.895 266 HA THR 36 HA THR 36 13.870 19.305 -4.639 267 HB THR 36 HB THR 36 15.130 16.660 -5.440 268 HG1 THR 36 1HG THR 36 16.042 18.628 -6.241 269 HG21 THR 36 1HG2 THR 36 12.359 17.544 -5.999 270 HG22 THR 36 2HG2 THR 36 13.336 17.363 -7.476 271 HG23 THR 36 3HG2 THR 36 13.138 15.986 -6.365 272 H LEU 37 H LEU 37 14.190 16.264 -2.758 273 HA LEU 37 HA LEU 37 11.520 15.560 -2.746 274 HB2 LEU 37 1HB LEU 37 13.431 14.193 -1.973 275 HB3 LEU 37 2HB LEU 37 13.564 15.205 -0.549 276 HG LEU 37 HG LEU 37 10.868 14.323 -0.660 277 HD11 LEU 37 1HD1 LEU 37 12.317 12.526 -2.138 278 HD12 LEU 37 2HD1 LEU 37 12.379 11.810 -0.510 279 HD13 LEU 37 3HD1 LEU 37 10.808 12.169 -1.264 280 HD21 LEU 37 1HD2 LEU 37 11.394 13.288 1.468 281 HD22 LEU 37 2HD2 LEU 37 13.137 13.395 1.122 282 HD23 LEU 37 3HD2 LEU 37 12.182 14.879 1.351 283 H ASN 38 H ASN 38 13.344 17.622 -0.375 284 HA ASN 38 HA ASN 38 11.131 18.203 1.161 285 HB2 ASN 38 1HB ASN 38 13.697 19.786 0.630 286 HB3 ASN 38 2HB ASN 38 12.536 20.253 1.857 287 HD21 ASN 38 1HD2 ASN 38 14.922 17.936 0.856 288 HD22 ASN 38 2HD2 ASN 38 15.101 17.086 2.355 289 H SER 39 H SER 39 12.776 20.046 -1.517 290 HA SER 39 HA SER 39 11.387 22.292 -1.594 291 HB2 SER 39 1HB SER 39 13.153 21.197 -3.259 292 HB3 SER 39 2HB SER 39 11.729 20.807 -4.202 293 HG SER 39 HG SER 39 11.180 23.200 -3.908 294 H ALA 40 H ALA 40 10.283 19.099 -2.888 295 HA ALA 40 HA ALA 40 7.922 19.959 -4.052 296 HB1 ALA 40 1HB ALA 40 9.125 17.682 -4.150 297 HB2 ALA 40 2HB ALA 40 8.288 17.309 -2.624 298 HB3 ALA 40 3HB ALA 40 7.346 17.657 -4.093 299 H ILE 41 H ILE 41 8.527 18.694 -0.699 300 HA ILE 41 HA ILE 41 5.939 18.942 0.212 301 HB ILE 41 HB ILE 41 8.592 19.153 1.630 302 HG12 ILE 41 1HG1 ILE 41 6.626 16.851 1.498 303 HG13 ILE 41 2HG1 ILE 41 7.996 17.021 0.418 304 HG21 ILE 41 1HG2 ILE 41 7.590 19.671 3.539 305 HG22 ILE 41 2HG2 ILE 41 6.070 19.914 2.644 306 HG23 ILE 41 3HG2 ILE 41 6.443 18.323 3.350 307 HD11 ILE 41 1HD1 ILE 41 8.814 15.638 2.166 308 HD12 ILE 41 2HD1 ILE 41 9.441 17.252 2.578 309 HD13 ILE 41 3HD1 ILE 41 8.015 16.609 3.426 310 H GLU 42 H GLU 42 8.646 21.297 0.820 311 HA GLU 42 HA GLU 42 7.239 23.251 1.947 312 HB2 GLU 42 1HB GLU 42 9.639 23.188 0.163 313 HB3 GLU 42 2HB GLU 42 8.907 24.762 0.402 314 HG2 GLU 42 1HG GLU 42 8.911 23.800 2.990 315 HG3 GLU 42 2HG GLU 42 10.347 23.024 2.353 316 H ASN 43 H ASN 43 7.417 22.519 -1.576 317 HA ASN 43 HA ASN 43 6.167 24.752 -2.511 318 HB2 ASN 43 1HB ASN 43 7.157 22.523 -3.677 319 HB3 ASN 43 2HB ASN 43 5.467 22.062 -3.708 320 HD21 ASN 43 1HD2 ASN 43 5.755 22.124 -6.018 321 HD22 ASN 43 2HD2 ASN 43 5.590 23.613 -6.886 322 H LEU 44 H LEU 44 4.704 21.483 -1.787 323 HA LEU 44 HA LEU 44 2.075 22.163 -2.176 324 HB2 LEU 44 1HB LEU 44 3.558 20.070 -0.699 325 HB3 LEU 44 2HB LEU 44 1.886 20.304 -0.228 326 HG LEU 44 HG LEU 44 2.845 19.711 -3.042 327 HD11 LEU 44 1HD1 LEU 44 1.148 17.726 -1.720 328 HD12 LEU 44 2HD1 LEU 44 2.653 17.523 -2.649 329 HD13 LEU 44 3HD1 LEU 44 2.724 17.955 -0.923 330 HD21 LEU 44 1HD2 LEU 44 0.853 20.974 -3.230 331 HD22 LEU 44 2HD2 LEU 44 0.384 19.269 -3.434 332 HD23 LEU 44 3HD2 LEU 44 0.078 20.098 -1.888 333 H MET 45 H MET 45 4.005 22.298 0.893 334 HA MET 45 HA MET 45 2.146 23.066 2.621 335 HB2 MET 45 1HB MET 45 5.033 23.864 2.171 336 HB3 MET 45 2HB MET 45 4.151 24.724 3.417 337 HG2 MET 45 1HG MET 45 3.461 22.075 3.947 338 HG3 MET 45 2HG MET 45 5.114 21.915 3.388 339 HE1 MET 45 1HE MET 45 5.246 21.353 6.852 340 HE2 MET 45 2HE MET 45 3.827 22.340 7.276 341 HE3 MET 45 3HE MET 45 3.758 21.234 5.883 342 H THR 46 H THR 46 4.103 25.500 0.741 343 HA THR 46 HA THR 46 2.289 27.599 1.413 344 HB THR 46 HB THR 46 3.813 28.858 -0.194 345 HG1 THR 46 1HG THR 46 4.199 26.939 -1.550 346 HG21 THR 46 1HG2 THR 46 5.946 28.477 1.054 347 HG22 THR 46 2HG2 THR 46 4.570 28.597 2.177 348 HG23 THR 46 3HG2 THR 46 5.255 27.004 1.776 349 H SER 47 H SER 47 0.476 25.933 0.599 350 HA SER 47 HA SER 47 -0.454 27.171 -1.780 351 HB2 SER 47 1HB SER 47 1.041 24.928 -2.254 352 HB3 SER 47 2HB SER 47 -0.534 24.194 -2.028 353 HG SER 47 HG SER 47 -0.627 26.468 -3.651 354 H SER 48 H SER 48 -1.044 23.981 -0.124 355 HA SER 48 HA SER 48 -3.779 24.858 0.268 356 HB2 SER 48 1HB SER 48 -2.414 22.153 0.229 357 HB3 SER 48 2HB SER 48 -3.994 22.327 0.966 358 HG SER 48 HG SER 48 -4.434 23.518 -1.258 359 H SER 49 H SER 49 -4.818 24.592 2.393 360 HA SER 49 HA SER 49 -3.094 25.360 4.467 361 HB2 SER 49 1HB SER 49 -5.947 24.373 4.819 362 HB3 SER 49 2HB SER 49 -5.084 25.534 5.807 363 HG SER 49 HG SER 49 -5.739 27.092 4.504 364 H LYS 50 H LYS 50 -3.515 24.137 6.770 365 HA LYS 50 HA LYS 50 -2.351 21.564 6.403 366 HB2 LYS 50 1HB LYS 50 -1.476 22.619 8.243 367 HB3 LYS 50 2HB LYS 50 -2.995 23.365 8.695 368 HG2 LYS 50 1HG LYS 50 -3.816 21.398 9.727 369 HG3 LYS 50 2HG LYS 50 -2.745 20.350 8.819 370 HD2 LYS 50 1HD LYS 50 -0.788 21.198 10.082 371 HD3 LYS 50 2HD LYS 50 -1.806 22.338 10.940 372 HE2 LYS 50 1HE LYS 50 -2.458 19.375 11.030 373 HE3 LYS 50 2HE LYS 50 -1.201 20.021 12.066 374 HZ1 LYS 50 1HZ LYS 50 -2.720 21.405 13.117 375 HZ2 LYS 50 2HZ LYS 50 -3.860 21.239 11.960 376 HZ3 LYS 50 3HZ LYS 50 -3.528 19.995 12.964 377 H GLU 51 H GLU 51 -5.521 22.809 7.639 378 HA GLU 51 HA GLU 51 -6.536 20.262 8.133 379 HB2 GLU 51 1HB GLU 51 -7.924 22.926 7.618 380 HB3 GLU 51 2HB GLU 51 -8.771 21.483 8.138 381 HG2 GLU 51 1HG GLU 51 -6.436 22.730 9.663 382 HG3 GLU 51 2HG GLU 51 -8.121 23.043 10.030 383 H ASP 52 H ASP 52 -6.454 22.368 5.245 384 HA ASP 52 HA ASP 52 -8.388 21.296 3.728 385 HB2 ASP 52 1HB ASP 52 -6.251 22.996 3.319 386 HB3 ASP 52 2HB ASP 52 -5.770 21.630 2.331 387 H TRP 53 H TRP 53 -5.292 19.888 4.754 388 HA TRP 53 HA TRP 53 -5.211 17.833 2.789 389 HB2 TRP 53 1HB TRP 53 -3.835 17.868 5.474 390 HB3 TRP 53 2HB TRP 53 -3.383 16.959 4.045 391 HD1 TRP 53 HD TRP 53 -3.560 19.443 1.928 392 HE1 TRP 53 1HE TRP 53 -1.715 21.329 1.882 393 HE3 TRP 53 3HE TRP 53 -1.888 18.653 6.664 394 HZ2 TRP 53 2HZ TRP 53 0.194 22.258 3.790 395 HZ3 TRP 53 3HZ TRP 53 -0.030 20.093 7.495 396 HH2 TRP 53 HH TRP 53 1.004 21.845 6.142 397 HA PRO 54 HA PRO 54 -8.255 15.396 4.778 398 HB2 PRO 54 1HB PRO 54 -8.242 13.290 3.037 399 HB3 PRO 54 2HB PRO 54 -9.171 14.751 2.766 400 HG2 PRO 54 1HG PRO 54 -6.660 13.885 1.469 401 HG3 PRO 54 2HG PRO 54 -7.811 15.093 0.935 402 HD2 PRO 54 1HD PRO 54 -5.264 15.573 2.163 403 HD3 PRO 54 2HD PRO 54 -6.465 16.776 1.735 404 H SER 55 H SER 55 -8.357 13.949 6.423 405 HA SER 55 HA SER 55 -5.839 12.961 7.210 406 HB2 SER 55 1HB SER 55 -8.075 11.708 8.602 407 HB3 SER 55 2HB SER 55 -6.858 12.803 9.226 408 HG SER 55 HG SER 55 -9.282 13.462 9.147 409 H VAL 56 H VAL 56 -4.933 11.319 5.984 410 HA VAL 56 HA VAL 56 -6.696 9.055 5.348 411 HB VAL 56 HB VAL 56 -5.289 8.619 3.460 412 HG11 VAL 56 1HG1 VAL 56 -5.709 11.605 3.342 413 HG12 VAL 56 2HG1 VAL 56 -5.945 10.381 2.071 414 HG13 VAL 56 3HG1 VAL 56 -7.090 10.486 3.430 415 HG21 VAL 56 1HG2 VAL 56 -3.630 11.079 3.866 416 HG22 VAL 56 2HG2 VAL 56 -3.215 9.612 4.784 417 HG23 VAL 56 3HG2 VAL 56 -3.248 9.569 3.005 418 H ASN 57 H ASN 57 -5.377 6.912 5.186 419 HA ASN 57 HA ASN 57 -3.603 6.891 7.498 420 HB2 ASN 57 1HB ASN 57 -5.571 4.845 6.391 421 HB3 ASN 57 2HB ASN 57 -4.269 4.334 7.447 422 HD21 ASN 57 1HD2 ASN 57 -7.391 4.998 7.439 423 HD22 ASN 57 2HD2 ASN 57 -7.646 5.655 9.020 424 H MET 58 H MET 58 -1.551 5.849 7.236 425 HA MET 58 HA MET 58 -0.945 5.144 4.485 426 HB2 MET 58 1HB MET 58 0.446 6.902 5.607 427 HB3 MET 58 2HB MET 58 0.841 5.785 6.899 428 HG2 MET 58 1HG MET 58 2.004 4.289 5.289 429 HG3 MET 58 2HG MET 58 1.551 5.335 3.958 430 HE1 MET 58 1HE MET 58 1.741 7.713 4.086 431 HE2 MET 58 2HE MET 58 2.755 8.662 5.198 432 HE3 MET 58 3HE MET 58 3.441 8.044 3.677 433 H ASN 59 H ASN 59 -1.287 2.980 4.107 434 HA ASN 59 HA ASN 59 -0.931 1.112 6.213 435 HB2 ASN 59 1HB ASN 59 -2.685 0.764 4.501 436 HB3 ASN 59 2HB ASN 59 -1.488 0.776 3.220 437 HD21 ASN 59 1HD2 ASN 59 -3.470 -1.223 4.448 438 HD22 ASN 59 2HD2 ASN 59 -2.567 -2.691 4.617 439 H VAL 60 H VAL 60 0.852 -0.327 6.473 440 HA VAL 60 HA VAL 60 2.923 -0.228 4.406 441 HB VAL 60 HB VAL 60 3.380 0.065 7.382 442 HG11 VAL 60 1HG1 VAL 60 5.075 -1.058 5.533 443 HG12 VAL 60 2HG1 VAL 60 5.586 0.647 5.519 444 HG13 VAL 60 3HG1 VAL 60 5.581 -0.268 7.046 445 HG21 VAL 60 1HG2 VAL 60 4.193 2.338 6.811 446 HG22 VAL 60 2HG2 VAL 60 3.645 2.091 5.135 447 HG23 VAL 60 3HG2 VAL 60 2.461 2.120 6.464 448 H ALA 61 H ALA 61 2.985 -2.278 3.636 449 HA ALA 61 HA ALA 61 3.601 -4.401 5.423 450 HB1 ALA 61 1HB ALA 61 1.246 -4.435 5.886 451 HB2 ALA 61 2HB ALA 61 0.838 -4.256 4.163 452 HB3 ALA 61 3HB ALA 61 1.563 -5.771 4.754 453 H ASP 62 H ASP 62 3.821 -6.515 4.115 454 HA ASP 62 HA ASP 62 5.004 -7.440 2.520 455 HB2 ASP 62 1HB ASP 62 2.484 -7.133 1.672 456 HB3 ASP 62 2HB ASP 62 3.229 -6.092 0.475 457 H ALA 63 H ALA 63 6.028 -4.802 3.279 458 HA ALA 63 HA ALA 63 7.374 -3.174 2.611 459 HB1 ALA 63 1HB ALA 63 8.306 -4.415 0.127 460 HB2 ALA 63 2HB ALA 63 9.195 -4.072 1.630 461 HB3 ALA 63 3HB ALA 63 8.250 -5.573 1.478 462 H THR 64 H THR 64 4.894 -2.413 2.071 463 HA THR 64 HA THR 64 5.183 -1.036 -0.477 464 HB THR 64 HB THR 64 2.865 -2.890 0.272 465 HG1 THR 64 1HG THR 64 4.493 -3.974 -0.885 466 HG21 THR 64 1HG2 THR 64 2.167 -0.635 -0.826 467 HG22 THR 64 2HG2 THR 64 3.116 -1.166 -2.235 468 HG23 THR 64 3HG2 THR 64 1.711 -2.118 -1.699 469 H VAL 65 H VAL 65 3.752 0.838 -0.674 470 HA VAL 65 HA VAL 65 2.845 1.736 1.973 471 HB VAL 65 HB VAL 65 4.523 3.075 -0.114 472 HG11 VAL 65 1HG1 VAL 65 4.020 5.258 1.143 473 HG12 VAL 65 2HG1 VAL 65 2.795 4.673 -0.009 474 HG13 VAL 65 3HG1 VAL 65 2.558 4.435 1.739 475 HG21 VAL 65 1HG2 VAL 65 6.016 2.647 1.504 476 HG22 VAL 65 2HG2 VAL 65 5.246 3.978 2.402 477 HG23 VAL 65 3HG2 VAL 65 4.747 2.296 2.702 478 H THR 66 H THR 66 0.652 1.394 1.792 479 HA THR 66 HA THR 66 -0.629 2.543 -0.601 480 HB THR 66 HB THR 66 -1.659 0.356 1.278 481 HG1 THR 66 1HG THR 66 -0.814 -1.014 -0.430 482 HG21 THR 66 1HG2 THR 66 -2.541 1.549 -1.373 483 HG22 THR 66 2HG2 THR 66 -2.864 -0.167 -1.028 484 HG23 THR 66 3HG2 THR 66 -3.537 1.096 0.030 485 H VAL 67 H VAL 67 -1.681 4.399 -0.327 486 HA VAL 67 HA VAL 67 -2.212 5.271 2.376 487 HB VAL 67 HB VAL 67 -2.612 6.616 -0.304 488 HG11 VAL 67 1HG1 VAL 67 -3.964 7.899 1.023 489 HG12 VAL 67 2HG1 VAL 67 -3.092 7.478 2.516 490 HG13 VAL 67 3HG1 VAL 67 -2.402 8.669 1.389 491 HG21 VAL 67 1HG2 VAL 67 -0.552 7.948 0.740 492 HG22 VAL 67 2HG2 VAL 67 -0.276 6.387 1.549 493 HG23 VAL 67 3HG2 VAL 67 -0.327 6.472 -0.229 494 H ILE 68 H ILE 68 -4.001 4.430 3.339 495 HA ILE 68 HA ILE 68 -6.356 4.024 1.655 496 HB ILE 68 HB ILE 68 -5.670 3.002 4.414 497 HG12 ILE 68 1HG1 ILE 68 -5.566 1.738 1.670 498 HG13 ILE 68 2HG1 ILE 68 -4.266 1.916 2.831 499 HG21 ILE 68 1HG2 ILE 68 -8.053 3.277 4.253 500 HG22 ILE 68 2HG2 ILE 68 -8.084 2.494 2.655 501 HG23 ILE 68 3HG2 ILE 68 -7.664 1.547 4.102 502 HD11 ILE 68 1HD1 ILE 68 -6.695 0.093 3.019 503 HD12 ILE 68 2HD1 ILE 68 -4.974 -0.363 3.017 504 HD13 ILE 68 3HD1 ILE 68 -5.676 0.458 4.432 505 H SER 69 H SER 69 -8.500 4.660 2.590 506 HA SER 69 HA SER 69 -8.231 7.319 3.613 507 HB2 SER 69 1HB SER 69 -9.821 6.916 1.801 508 HB3 SER 69 2HB SER 69 -10.637 5.672 2.726 509 HG SER 69 HG SER 69 -11.912 7.429 3.088 510 H GLU 70 H GLU 70 -9.866 8.017 5.418 511 HA GLU 70 HA GLU 70 -9.465 6.169 7.580 512 HB2 GLU 70 1HB GLU 70 -8.910 8.295 8.321 513 HB3 GLU 70 2HB GLU 70 -10.101 9.085 7.307 514 HG2 GLU 70 1HG GLU 70 -11.927 8.367 8.786 515 HG3 GLU 70 2HG GLU 70 -10.830 7.383 9.735 516 H LYS 71 H LYS 71 -12.085 7.566 5.598 517 HA LYS 71 HA LYS 71 -14.206 6.751 7.255 518 HB2 LYS 71 1HB LYS 71 -13.954 7.574 4.367 519 HB3 LYS 71 2HB LYS 71 -15.478 6.980 4.996 520 HG2 LYS 71 1HG LYS 71 -15.770 9.215 5.506 521 HG3 LYS 71 2HG LYS 71 -14.931 8.740 6.969 522 HD2 LYS 71 1HD LYS 71 -12.880 9.686 6.270 523 HD3 LYS 71 2HD LYS 71 -13.303 9.609 4.571 524 HE2 LYS 71 1HE LYS 71 -14.899 11.446 4.806 525 HE3 LYS 71 2HE LYS 71 -14.754 11.423 6.552 526 HZ1 LYS 71 1HZ LYS 71 -12.552 12.038 4.705 527 HZ2 LYS 71 2HZ LYS 71 -13.420 13.147 5.533 528 HZ3 LYS 71 3HZ LYS 71 -12.474 12.085 6.336 529 H ASN 72 H ASN 72 -12.675 5.263 4.321 530 HA ASN 72 HA ASN 72 -13.969 2.786 5.151 531 HB2 ASN 72 1HB ASN 72 -13.080 3.785 2.401 532 HB3 ASN 72 2HB ASN 72 -13.506 2.109 2.686 533 HD21 ASN 72 1HD2 ASN 72 -14.764 4.063 0.963 534 HD22 ASN 72 2HD2 ASN 72 -16.419 4.216 1.452 535 H GLU 73 H GLU 73 -12.573 0.768 4.392 536 HA GLU 73 HA GLU 73 -9.788 1.422 4.952 537 HB2 GLU 73 1HB GLU 73 -11.476 -1.024 5.574 538 HB3 GLU 73 2HB GLU 73 -9.726 -1.109 5.590 539 HG2 GLU 73 1HG GLU 73 -9.701 -0.215 7.671 540 HG3 GLU 73 2HG GLU 73 -10.431 1.252 7.050 541 H GLU 74 H GLU 74 -12.024 0.283 2.575 542 HA GLU 74 HA GLU 74 -9.905 -1.087 1.141 543 HB2 GLU 74 1HB GLU 74 -12.880 -1.229 1.169 544 HB3 GLU 74 2HB GLU 74 -12.154 -1.381 -0.419 545 HG2 GLU 74 1HG GLU 74 -11.037 -3.366 0.116 546 HG3 GLU 74 2HG GLU 74 -10.917 -2.971 1.819 547 H GLU 75 H GLU 75 -10.608 1.998 1.577 548 HA GLU 75 HA GLU 75 -10.815 2.703 -1.225 549 HB2 GLU 75 1HB GLU 75 -12.342 3.943 0.132 550 HB3 GLU 75 2HB GLU 75 -11.134 4.256 1.363 551 HG2 GLU 75 1HG GLU 75 -10.046 5.910 0.080 552 HG3 GLU 75 2HG GLU 75 -10.630 5.266 -1.442 553 H VAL 76 H VAL 76 -8.588 1.823 -1.625 554 HA VAL 76 HA VAL 76 -6.384 3.087 -0.342 555 HB VAL 76 HB VAL 76 -6.045 0.897 -1.066 556 HG11 VAL 76 1HG1 VAL 76 -7.502 1.768 -3.527 557 HG12 VAL 76 2HG1 VAL 76 -6.297 0.467 -3.685 558 HG13 VAL 76 3HG1 VAL 76 -7.666 0.281 -2.562 559 HG21 VAL 76 1HG2 VAL 76 -4.142 1.021 -2.459 560 HG22 VAL 76 2HG2 VAL 76 -4.764 2.445 -3.327 561 HG23 VAL 76 3HG2 VAL 76 -4.221 2.599 -1.639 562 H LEU 77 H LEU 77 -6.356 5.312 -0.579 563 HA LEU 77 HA LEU 77 -7.114 6.635 -2.914 564 HB2 LEU 77 1HB LEU 77 -5.348 7.450 -0.606 565 HB3 LEU 77 2HB LEU 77 -5.839 8.543 -1.885 566 HG LEU 77 HG LEU 77 -7.986 7.064 -0.422 567 HD11 LEU 77 1HD1 LEU 77 -7.678 7.975 1.585 568 HD12 LEU 77 2HD1 LEU 77 -6.033 8.387 1.045 569 HD13 LEU 77 3HD1 LEU 77 -7.344 9.581 0.893 570 HD21 LEU 77 1HD2 LEU 77 -8.488 8.544 -2.339 571 HD22 LEU 77 2HD2 LEU 77 -9.254 9.083 -0.826 572 HD23 LEU 77 3HD2 LEU 77 -7.803 9.915 -1.434 573 H VAL 78 H VAL 78 -3.896 5.516 -1.709 574 HA VAL 78 HA VAL 78 -2.975 5.640 -4.475 575 HB VAL 78 HB VAL 78 -1.864 7.106 -2.120 576 HG11 VAL 78 1HG1 VAL 78 -0.024 5.639 -2.667 577 HG12 VAL 78 2HG1 VAL 78 -0.200 5.993 -4.403 578 HG13 VAL 78 3HG1 VAL 78 0.340 7.268 -3.285 579 HG21 VAL 78 1HG2 VAL 78 -1.392 8.802 -3.899 580 HG22 VAL 78 2HG2 VAL 78 -2.163 7.715 -5.079 581 HG23 VAL 78 3HG2 VAL 78 -3.115 8.388 -3.734 582 H GLU 79 H GLU 79 -1.259 4.125 -4.939 583 HA GLU 79 HA GLU 79 -0.759 2.261 -2.765 584 HB2 GLU 79 1HB GLU 79 -2.574 1.333 -4.191 585 HB3 GLU 79 2HB GLU 79 -1.553 1.486 -5.607 586 HG2 GLU 79 1HG GLU 79 0.161 0.035 -4.174 587 HG3 GLU 79 2HG GLU 79 -1.270 -0.411 -3.265 588 H CYS 80 H CYS 80 1.399 2.816 -2.445 589 HA CYS 80 HA CYS 80 3.083 2.739 -4.839 590 HB2 CYS 80 1HB CYS 80 2.874 4.797 -3.057 591 HB3 CYS 80 2HB CYS 80 4.206 3.900 -2.355 592 HG CYS 80 HG CYS 80 5.371 3.563 -4.835 593 H ARG 81 H ARG 81 5.135 1.550 -4.639 594 HA ARG 81 HA ARG 81 5.081 -0.316 -2.405 595 HB2 ARG 81 1HB ARG 81 5.665 -0.811 -5.355 596 HB3 ARG 81 2HB ARG 81 6.236 -1.922 -4.126 597 HG2 ARG 81 1HG ARG 81 4.015 -2.490 -3.433 598 HG3 ARG 81 2HG ARG 81 3.316 -1.084 -4.212 599 HD2 ARG 81 1HD ARG 81 4.345 -2.211 -6.425 600 HD3 ARG 81 2HD ARG 81 4.261 -3.670 -5.458 601 HE ARG 81 HE ARG 81 1.770 -2.231 -5.264 602 HH11 ARG 81 2HH2 ARG 81 3.629 -4.233 -7.481 603 HH12 ARG 81 1HH2 ARG 81 2.235 -4.814 -8.329 604 HH21 ARG 81 2HH1 ARG 81 -0.071 -2.997 -6.382 605 HH22 ARG 81 1HH1 ARG 81 0.116 -4.106 -7.700 606 H VAL 82 H VAL 82 7.393 -1.430 -2.181 607 HA VAL 82 HA VAL 82 9.286 0.741 -2.050 608 HB VAL 82 HB VAL 82 10.596 -0.773 -0.732 609 HG11 VAL 82 1HG1 VAL 82 8.435 -1.669 0.738 610 HG12 VAL 82 2HG1 VAL 82 9.183 -0.058 0.860 611 HG13 VAL 82 3HG1 VAL 82 7.754 -0.300 -0.173 612 HG21 VAL 82 1HG2 VAL 82 9.760 -3.125 -0.307 613 HG22 VAL 82 2HG2 VAL 82 8.672 -2.906 -1.698 614 HG23 VAL 82 3HG2 VAL 82 10.435 -2.831 -1.928 615 H ARG 83 H ARG 83 8.568 -2.101 -4.035 616 HA ARG 83 HA ARG 83 11.149 -2.225 -5.159 617 HB2 ARG 83 1HB ARG 83 10.282 -3.990 -6.486 618 HB3 ARG 83 2HB ARG 83 9.285 -4.067 -5.048 619 HG2 ARG 83 1HG ARG 83 8.082 -2.174 -6.877 620 HG3 ARG 83 2HG ARG 83 8.449 -3.637 -7.769 621 HD2 ARG 83 1HD ARG 83 7.392 -4.671 -5.414 622 HD3 ARG 83 2HD ARG 83 6.462 -3.199 -5.601 623 HE ARG 83 HE ARG 83 5.496 -4.054 -7.591 624 HH11 ARG 83 2HH2 ARG 83 8.050 -6.179 -6.429 625 HH12 ARG 83 1HH2 ARG 83 7.618 -7.484 -7.482 626 HH21 ARG 83 2HH1 ARG 83 4.926 -5.777 -8.980 627 HH22 ARG 83 1HH1 ARG 83 5.830 -7.254 -8.943 628 H PHE 84 H PHE 84 8.418 -0.144 -5.547 629 HA PHE 84 HA PHE 84 9.324 0.631 -8.227 630 HB2 PHE 84 1HB PHE 84 6.714 0.967 -6.637 631 HB3 PHE 84 2HB PHE 84 6.978 1.764 -8.176 632 HD1 PHE 84 1HD PHE 84 8.416 -0.487 -9.594 633 HD2 PHE 84 2HD PHE 84 4.926 -0.457 -7.181 634 HE1 PHE 84 1HE PHE 84 7.570 -2.523 -10.793 635 HE2 PHE 84 2HE PHE 84 4.080 -2.494 -8.380 636 HZ PHE 84 HZ PHE 84 5.412 -3.502 -10.171 637 H LEU 85 H LEU 85 9.725 1.416 -5.004 638 HA LEU 85 HA LEU 85 9.361 4.245 -5.192 639 HB2 LEU 85 1HB LEU 85 9.829 2.285 -3.168 640 HB3 LEU 85 2HB LEU 85 11.066 3.519 -3.035 641 HG LEU 85 HG LEU 85 8.190 4.348 -3.279 642 HD11 LEU 85 1HD1 LEU 85 7.900 2.800 -1.558 643 HD12 LEU 85 2HD1 LEU 85 9.496 3.141 -0.847 644 HD13 LEU 85 3HD1 LEU 85 8.185 4.337 -0.706 645 HD21 LEU 85 1HD2 LEU 85 10.668 5.663 -2.889 646 HD22 LEU 85 2HD2 LEU 85 9.032 6.364 -2.911 647 HD23 LEU 85 3HD2 LEU 85 9.746 5.818 -1.374 648 H SER 86 H SER 86 11.099 5.847 -5.060 649 HA SER 86 HA SER 86 13.516 4.818 -6.330 650 HB2 SER 86 1HB SER 86 12.251 7.575 -6.659 651 HB3 SER 86 2HB SER 86 13.715 7.028 -7.450 652 HG SER 86 HG SER 86 12.576 5.747 -8.814 653 H PHE 87 H PHE 87 12.037 7.041 -3.942 654 HA PHE 87 HA PHE 87 14.193 6.866 -2.200 655 HB2 PHE 87 1HB PHE 87 15.130 8.327 -4.146 656 HB3 PHE 87 2HB PHE 87 13.929 9.529 -3.715 657 HD1 PHE 87 2HD PHE 87 17.030 7.883 -2.669 658 HD2 PHE 87 1HD PHE 87 14.169 10.868 -1.715 659 HE1 PHE 87 2HE PHE 87 18.609 8.856 -0.978 660 HE2 PHE 87 1HE PHE 87 15.749 11.841 -0.025 661 HZ PHE 87 HZ PHE 87 17.950 10.824 0.324 662 H MET 88 H MET 88 14.014 8.752 -0.453 663 HA MET 88 HA MET 88 11.492 10.028 -0.358 664 HB2 MET 88 1HB MET 88 10.558 8.786 1.544 665 HB3 MET 88 2HB MET 88 10.937 7.623 0.289 666 HG2 MET 88 1HG MET 88 13.216 8.129 2.115 667 HG3 MET 88 2HG MET 88 11.809 7.492 2.942 668 HE1 MET 88 1HE MET 88 10.454 5.635 2.191 669 HE2 MET 88 2HE MET 88 10.502 5.483 0.419 670 HE3 MET 88 3HE MET 88 11.091 4.151 1.443 671 H GLY 89 H GLY 89 11.529 9.937 2.691 672 HA2 GLY 89 1HA GLY 89 13.441 10.502 4.228 673 HA3 GLY 89 2HA GLY 89 13.850 11.732 3.049 674 H VAL 90 H VAL 90 13.147 12.209 5.839 675 HA VAL 90 HA VAL 90 10.433 13.158 5.841 676 HB VAL 90 HB VAL 90 12.715 13.330 7.816 677 HG11 VAL 90 1HG1 VAL 90 10.928 15.213 7.876 678 HG12 VAL 90 2HG1 VAL 90 9.839 13.944 8.484 679 HG13 VAL 90 3HG1 VAL 90 11.319 14.353 9.384 680 HG21 VAL 90 1HG2 VAL 90 12.142 11.221 8.274 681 HG22 VAL 90 2HG2 VAL 90 10.583 11.840 8.868 682 HG23 VAL 90 3HG2 VAL 90 10.741 11.299 7.179 683 H GLY 91 H GLY 91 9.725 15.227 5.463 684 HA2 GLY 91 1HA GLY 91 11.370 17.004 4.038 685 HA3 GLY 91 2HA GLY 91 9.783 17.340 4.700 686 H LYS 92 H LYS 92 11.007 19.533 4.967 687 HA LYS 92 HA LYS 92 13.053 19.983 6.666 688 HB2 LYS 92 1HB LYS 92 10.513 21.601 6.316 689 HB3 LYS 92 2HB LYS 92 11.956 22.188 7.118 690 HG2 LYS 92 1HG LYS 92 12.199 21.006 4.341 691 HG3 LYS 92 2HG LYS 92 11.578 22.635 4.519 692 HD2 LYS 92 1HD LYS 92 13.599 23.441 5.489 693 HD3 LYS 92 2HD LYS 92 14.142 21.835 5.931 694 HE2 LYS 92 1HE LYS 92 14.939 21.357 3.801 695 HE3 LYS 92 2HE LYS 92 13.701 22.307 3.002 696 HZ1 LYS 92 1HZ LYS 92 16.024 23.216 3.004 697 HZ2 LYS 92 2HZ LYS 92 14.849 24.258 3.452 698 HZ3 LYS 92 3HZ LYS 92 15.812 23.578 4.583 699 H ASP 93 H ASP 93 9.566 20.038 7.710 700 HA ASP 93 HA ASP 93 10.315 19.955 10.411 701 HB2 ASP 93 1HB ASP 93 7.927 20.293 8.860 702 HB3 ASP 93 2HB ASP 93 7.618 18.963 9.958 703 H VAL 94 H VAL 94 9.485 18.107 11.920 704 HA VAL 94 HA VAL 94 10.338 15.593 10.781 705 HB VAL 94 HB VAL 94 10.229 14.822 13.105 706 HG11 VAL 94 1HG1 VAL 94 12.343 15.583 12.897 707 HG12 VAL 94 2HG1 VAL 94 11.825 17.134 12.194 708 HG13 VAL 94 3HG1 VAL 94 11.787 16.899 13.958 709 HG21 VAL 94 1HG2 VAL 94 9.917 17.145 14.618 710 HG22 VAL 94 2HG2 VAL 94 8.600 17.218 13.423 711 HG23 VAL 94 3HG2 VAL 94 8.762 15.798 14.484 712 H HIS 95 H HIS 95 7.446 17.349 11.011 713 HA HIS 95 HA HIS 95 5.848 14.927 11.286 714 HB2 HIS 95 1HB HIS 95 4.520 17.557 10.988 715 HB3 HIS 95 2HB HIS 95 4.147 16.217 12.053 716 HD1 HIS 95 1HD HIS 95 6.806 18.966 11.752 717 HD2 HIS 95 2HD HIS 95 4.854 16.657 14.659 718 HE1 HIS 95 1HE HIS 95 7.596 19.846 14.013 719 H THR 96 H THR 96 7.602 15.909 8.906 720 HA THR 96 HA THR 96 5.440 15.728 6.911 721 HB THR 96 HB THR 96 7.157 17.114 5.499 722 HG1 THR 96 1HG THR 96 8.444 18.415 7.193 723 HG21 THR 96 1HG2 THR 96 5.024 18.043 6.732 724 HG22 THR 96 2HG2 THR 96 6.178 18.617 7.960 725 HG23 THR 96 3HG2 THR 96 6.299 19.201 6.283 726 H PHE 97 H PHE 97 5.550 14.083 5.497 727 HA PHE 97 HA PHE 97 8.149 12.809 5.135 728 HB2 PHE 97 1HB PHE 97 6.938 11.551 6.912 729 HB3 PHE 97 2HB PHE 97 5.466 11.554 5.961 730 HD1 PHE 97 1HD PHE 97 9.028 10.501 5.504 731 HD2 PHE 97 2HD PHE 97 4.926 9.560 4.961 732 HE1 PHE 97 1HE PHE 97 9.667 8.288 4.506 733 HE2 PHE 97 2HE PHE 97 5.565 7.347 3.963 734 HZ PHE 97 HZ PHE 97 7.928 6.738 3.748 735 H ALA 98 H ALA 98 8.549 12.414 3.004 736 HA ALA 98 HA ALA 98 6.270 11.936 1.251 737 HB1 ALA 98 1HB ALA 98 6.715 13.713 -0.189 738 HB2 ALA 98 2HB ALA 98 7.039 14.456 1.396 739 HB3 ALA 98 3HB ALA 98 8.391 13.895 0.383 740 H PHE 99 H PHE 99 6.803 10.651 -0.576 741 HA PHE 99 HA PHE 99 9.594 9.768 -0.672 742 HB2 PHE 99 1HB PHE 99 8.726 7.444 -0.873 743 HB3 PHE 99 2HB PHE 99 8.089 8.158 0.595 744 HD1 PHE 99 2HD PHE 99 7.187 7.699 -2.996 745 HD2 PHE 99 1HD PHE 99 5.817 8.021 1.007 746 HE1 PHE 99 2HE PHE 99 4.852 7.171 -3.752 747 HE2 PHE 99 1HE PHE 99 3.483 7.493 0.251 748 HZ PHE 99 HZ PHE 99 3.028 7.074 -2.120 749 H ILE 100 H ILE 100 10.404 9.352 -2.742 750 HA ILE 100 HA ILE 100 8.690 10.283 -4.891 751 HB ILE 100 HB ILE 100 11.634 9.606 -4.851 752 HG12 ILE 100 1HG1 ILE 100 10.223 12.277 -4.584 753 HG13 ILE 100 2HG1 ILE 100 11.119 11.447 -3.328 754 HG21 ILE 100 1HG2 ILE 100 11.525 9.731 -7.063 755 HG22 ILE 100 2HG2 ILE 100 9.800 10.166 -7.008 756 HG23 ILE 100 3HG2 ILE 100 11.042 11.436 -6.898 757 HD11 ILE 100 1HD1 ILE 100 12.133 13.214 -5.350 758 HD12 ILE 100 2HD1 ILE 100 13.042 12.377 -4.068 759 HD13 ILE 100 3HD1 ILE 100 12.816 11.598 -5.653 760 H MET 101 H MET 101 7.691 8.966 -6.329 761 HA MET 101 HA MET 101 8.585 6.186 -6.316 762 HB2 MET 101 1HB MET 101 6.257 5.512 -6.548 763 HB3 MET 101 2HB MET 101 6.291 6.696 -5.257 764 HG2 MET 101 1HG MET 101 5.692 8.486 -6.972 765 HG3 MET 101 2HG MET 101 5.505 7.215 -8.164 766 HE1 MET 101 1HE MET 101 2.864 4.929 -6.503 767 HE2 MET 101 2HE MET 101 3.062 5.561 -8.155 768 HE3 MET 101 3HE MET 101 4.478 4.971 -7.253 769 H ASP 102 H ASP 102 7.913 4.978 -8.409 770 HA ASP 102 HA ASP 102 8.153 6.850 -10.632 771 HB2 ASP 102 1HB ASP 102 10.221 5.736 -10.667 772 HB3 ASP 102 2HB ASP 102 9.550 4.250 -10.024 773 H THR 103 H THR 103 6.141 6.817 -11.661 774 HA THR 103 HA THR 103 4.678 4.273 -11.705 775 HB THR 103 HB THR 103 2.711 5.683 -12.020 776 HG1 THR 103 1HG THR 103 3.059 7.894 -12.603 777 HG21 THR 103 1HG2 THR 103 3.962 7.685 -10.284 778 HG22 THR 103 2HG2 THR 103 2.700 6.496 -9.882 779 HG23 THR 103 3HG2 THR 103 4.418 6.043 -9.772 780 H GLY 104 H GLY 104 5.365 7.087 -13.897 781 HA2 GLY 104 1HA GLY 104 4.722 5.555 -16.224 782 HA3 GLY 104 2HA GLY 104 5.423 7.160 -16.156 783 H ASN 105 H ASN 105 7.074 6.851 -17.691 784 HA ASN 105 HA ASN 105 8.781 4.580 -17.406 785 HB2 ASN 105 1HB ASN 105 8.200 6.609 -19.434 786 HB3 ASN 105 2HB ASN 105 9.933 6.488 -19.206 787 HD21 ASN 105 1HD2 ASN 105 7.155 5.120 -20.563 788 HD22 ASN 105 2HD2 ASN 105 7.819 3.641 -21.172 789 H GLN 106 H GLN 106 9.628 8.076 -17.947 790 HA GLN 106 HA GLN 106 11.685 7.749 -15.916 791 HB2 GLN 106 1HB GLN 106 11.459 9.729 -18.224 792 HB3 GLN 106 2HB GLN 106 12.746 9.752 -17.036 793 HG2 GLN 106 1HG GLN 106 13.694 7.740 -17.808 794 HG3 GLN 106 2HG GLN 106 12.183 7.159 -18.479 795 HE21 GLN 106 1HE2 GLN 106 14.020 6.789 -20.153 796 HE22 GLN 106 2HE2 GLN 106 14.145 7.973 -21.411 797 H ARG 107 H ARG 107 8.666 8.448 -15.664 798 HA ARG 107 HA ARG 107 8.906 11.125 -14.623 799 HB2 ARG 107 1HB ARG 107 6.607 9.266 -15.280 800 HB3 ARG 107 2HB ARG 107 6.324 10.569 -14.142 801 HG2 ARG 107 1HG ARG 107 7.525 10.983 -16.920 802 HG3 ARG 107 2HG ARG 107 5.817 11.151 -16.567 803 HD2 ARG 107 1HD ARG 107 6.593 12.829 -14.691 804 HD3 ARG 107 2HD ARG 107 8.120 12.855 -15.550 805 HE ARG 107 HE ARG 107 7.118 14.155 -17.210 806 HH11 ARG 107 2HH2 ARG 107 4.599 12.472 -15.421 807 HH12 ARG 107 1HH2 ARG 107 3.302 13.277 -16.239 808 HH21 ARG 107 2HH1 ARG 107 5.408 15.218 -18.290 809 HH22 ARG 107 1HH1 ARG 107 3.765 14.850 -17.882 810 H PHE 108 H PHE 108 8.194 11.628 -12.382 811 HA PHE 108 HA PHE 108 8.087 9.310 -10.614 812 HB2 PHE 108 1HB PHE 108 9.819 11.819 -10.209 813 HB3 PHE 108 2HB PHE 108 9.803 10.405 -9.173 814 HD1 PHE 108 2HD PHE 108 10.172 8.133 -10.757 815 HD2 PHE 108 1HD PHE 108 11.753 12.013 -11.426 816 HE1 PHE 108 2HE PHE 108 12.053 7.137 -12.088 817 HE2 PHE 108 1HE PHE 108 13.634 11.017 -12.757 818 HZ PHE 108 HZ PHE 108 13.761 8.591 -13.072 819 H GLU 109 H GLU 109 7.015 9.715 -8.588 820 HA GLU 109 HA GLU 109 5.728 12.327 -8.484 821 HB2 GLU 109 1HB GLU 109 4.475 9.577 -8.265 822 HB3 GLU 109 2HB GLU 109 3.727 10.949 -7.471 823 HG2 GLU 109 1HG GLU 109 3.175 12.003 -9.479 824 HG3 GLU 109 2HG GLU 109 4.537 11.318 -10.344 825 H CYS 110 H CYS 110 5.632 13.282 -6.438 826 HA CYS 110 HA CYS 110 6.831 11.675 -4.302 827 HB2 CYS 110 1HB CYS 110 7.973 13.857 -5.268 828 HB3 CYS 110 2HB CYS 110 6.822 14.677 -4.232 829 HG CYS 110 HG CYS 110 7.562 12.496 -2.371 830 H HIS 111 H HIS 111 5.256 10.992 -2.889 831 HA HIS 111 HA HIS 111 2.845 12.596 -2.680 832 HB2 HIS 111 1HB HIS 111 3.547 9.795 -1.770 833 HB3 HIS 111 2HB HIS 111 2.036 10.584 -1.366 834 HD1 HIS 111 1HD HIS 111 0.223 10.723 -3.185 835 HD2 HIS 111 2HD HIS 111 3.857 9.141 -4.558 836 HE1 HIS 111 1HE HIS 111 -0.244 9.770 -5.505 837 H VAL 112 H VAL 112 3.014 14.271 -1.260 838 HA VAL 112 HA VAL 112 4.727 14.012 1.040 839 HB VAL 112 HB VAL 112 2.915 16.225 0.057 840 HG11 VAL 112 1HG1 VAL 112 4.264 17.660 1.622 841 HG12 VAL 112 2HG1 VAL 112 3.182 16.497 2.426 842 HG13 VAL 112 3HG1 VAL 112 4.928 16.165 2.325 843 HG21 VAL 112 1HG2 VAL 112 4.708 15.839 -1.504 844 HG22 VAL 112 2HG2 VAL 112 5.083 17.310 -0.574 845 HG23 VAL 112 3HG2 VAL 112 5.907 15.779 -0.189 846 H PHE 113 H PHE 113 4.068 13.923 3.217 847 HA PHE 113 HA PHE 113 1.216 13.800 3.728 848 HB2 PHE 113 1HB PHE 113 3.285 11.608 4.354 849 HB3 PHE 113 2HB PHE 113 1.642 11.593 4.963 850 HD1 PHE 113 2HD PHE 113 -0.258 11.531 3.238 851 HD2 PHE 113 1HD PHE 113 3.782 10.662 2.273 852 HE1 PHE 113 2HE PHE 113 -1.012 10.313 1.177 853 HE2 PHE 113 1HE PHE 113 3.028 9.444 0.212 854 HZ PHE 113 HZ PHE 113 0.640 9.284 -0.312 855 H TRP 114 H TRP 114 0.750 13.757 6.121 856 HA TRP 114 HA TRP 114 2.957 15.060 7.565 857 HB2 TRP 114 1HB TRP 114 1.078 16.555 7.044 858 HB3 TRP 114 2HB TRP 114 -0.023 15.471 7.871 859 HD1 TRP 114 HD TRP 114 0.365 15.274 10.644 860 HE1 TRP 114 1HE TRP 114 1.214 17.010 12.441 861 HE3 TRP 114 3HE TRP 114 2.609 18.408 7.327 862 HZ2 TRP 114 2HZ TRP 114 2.695 19.443 12.278 863 HZ3 TRP 114 3HZ TRP 114 3.734 20.441 8.229 864 HH2 TRP 114 HH TRP 114 3.800 20.980 10.612 865 H CYS 115 H CYS 115 3.850 13.612 8.976 866 HA CYS 115 HA CYS 115 2.028 11.655 10.168 867 HB2 CYS 115 1HB CYS 115 5.031 11.377 10.158 868 HB3 CYS 115 2HB CYS 115 3.810 10.135 10.352 869 HG CYS 115 HG CYS 115 4.342 12.021 7.678 870 H GLU 116 H GLU 116 2.042 11.427 12.476 871 HA GLU 116 HA GLU 116 3.687 13.384 13.867 872 HB2 GLU 116 1HB GLU 116 0.755 12.824 14.492 873 HB3 GLU 116 2HB GLU 116 1.791 13.956 15.338 874 HG2 GLU 116 1HG GLU 116 1.486 15.569 13.761 875 HG3 GLU 116 2HG GLU 116 1.843 14.462 12.450 876 HA PRO 117 HA PRO 117 3.697 13.901 15.902 877 HB2 PRO 117 1HB PRO 117 5.781 13.857 17.670 878 HB3 PRO 117 2HB PRO 117 4.101 13.835 18.168 879 HG2 PRO 117 1HG PRO 117 6.055 11.617 18.138 880 HG3 PRO 117 2HG PRO 117 4.537 11.731 19.007 881 HD2 PRO 117 1HD PRO 117 5.037 10.226 16.617 882 HD3 PRO 117 2HD PRO 117 3.494 10.434 17.421 883 H ASN 118 H ASN 118 6.034 11.528 15.029 884 HA ASN 118 HA ASN 118 7.263 13.598 13.398 885 HB2 ASN 118 1HB ASN 118 9.477 12.279 13.783 886 HB3 ASN 118 2HB ASN 118 8.919 13.291 15.100 887 HD21 ASN 118 1HD2 ASN 118 10.346 11.842 16.313 888 HD22 ASN 118 2HD2 ASN 118 9.714 10.361 16.952 889 H ALA 119 H ALA 119 8.367 12.627 11.424 890 HA ALA 119 HA ALA 119 6.900 10.281 10.544 891 HB1 ALA 119 1HB ALA 119 8.475 12.502 9.251 892 HB2 ALA 119 2HB ALA 119 8.194 10.988 8.358 893 HB3 ALA 119 3HB ALA 119 6.812 11.955 8.926 894 H ALA 120 H ALA 120 8.787 9.788 12.633 895 HA ALA 120 HA ALA 120 11.141 8.736 11.295 896 HB1 ALA 120 1HB ALA 120 10.620 9.865 13.802 897 HB2 ALA 120 2HB ALA 120 10.827 8.130 14.141 898 HB3 ALA 120 3HB ALA 120 12.113 9.034 13.307 899 H ASN 121 H ASN 121 8.187 7.659 13.060 900 HA ASN 121 HA ASN 121 8.905 4.950 12.960 901 HB2 ASN 121 1HB ASN 121 6.148 6.260 13.246 902 HB3 ASN 121 2HB ASN 121 6.492 4.577 13.592 903 HD21 ASN 121 1HD2 ASN 121 5.933 7.400 15.001 904 HD22 ASN 121 2HD2 ASN 121 6.866 7.286 16.456 905 H VAL 122 H VAL 122 6.844 7.177 10.989 906 HA VAL 122 HA VAL 122 5.779 5.218 9.292 907 HB VAL 122 HB VAL 122 6.105 8.189 9.262 908 HG11 VAL 122 1HG1 VAL 122 5.489 6.461 6.880 909 HG12 VAL 122 2HG1 VAL 122 4.686 8.039 7.060 910 HG13 VAL 122 3HG1 VAL 122 6.462 7.948 6.986 911 HG21 VAL 122 1HG2 VAL 122 3.561 6.655 8.793 912 HG22 VAL 122 2HG2 VAL 122 4.250 6.749 10.432 913 HG23 VAL 122 3HG2 VAL 122 3.808 8.240 9.565 914 H SER 123 H SER 123 8.351 7.684 8.551 915 HA SER 123 HA SER 123 9.151 6.691 6.204 916 HB2 SER 123 1HB SER 123 10.125 8.725 6.969 917 HB3 SER 123 2HB SER 123 10.708 7.998 8.453 918 HG SER 123 HG SER 123 12.400 7.042 7.393 919 H GLU 124 H GLU 124 9.954 5.473 9.482 920 HA GLU 124 HA GLU 124 11.944 3.707 8.614 921 HB2 GLU 124 1HB GLU 124 10.341 4.115 11.123 922 HB3 GLU 124 2HB GLU 124 11.165 2.579 10.939 923 HG2 GLU 124 1HG GLU 124 12.671 5.157 10.410 924 HG3 GLU 124 2HG GLU 124 12.423 4.623 12.061 925 H ALA 125 H ALA 125 8.500 3.137 9.654 926 HA ALA 125 HA ALA 125 8.389 0.458 9.075 927 HB1 ALA 125 1HB ALA 125 6.694 2.085 10.199 928 HB2 ALA 125 2HB ALA 125 6.082 2.343 8.548 929 HB3 ALA 125 3HB ALA 125 6.057 0.712 9.261 930 H VAL 126 H VAL 126 8.647 3.207 6.916 931 HA VAL 126 HA VAL 126 7.715 1.647 4.649 932 HB VAL 126 HB VAL 126 8.645 4.503 4.982 933 HG11 VAL 126 1HG1 VAL 126 8.752 4.786 2.762 934 HG12 VAL 126 2HG1 VAL 126 8.792 3.011 2.640 935 HG13 VAL 126 3HG1 VAL 126 7.245 3.879 2.493 936 HG21 VAL 126 1HG2 VAL 126 6.475 4.128 5.969 937 HG22 VAL 126 2HG2 VAL 126 6.258 5.010 4.438 938 HG23 VAL 126 3HG2 VAL 126 5.913 3.265 4.517 939 H GLN 127 H GLN 127 10.706 3.210 5.946 940 HA GLN 127 HA GLN 127 12.299 2.453 3.798 941 HB2 GLN 127 1HB GLN 127 12.951 3.152 6.688 942 HB3 GLN 127 2HB GLN 127 14.194 2.845 5.493 943 HG2 GLN 127 1HG GLN 127 12.225 4.699 4.402 944 HG3 GLN 127 2HG GLN 127 12.793 5.288 5.952 945 HE21 GLN 127 1HE2 GLN 127 13.773 4.155 2.767 946 HE22 GLN 127 2HE2 GLN 127 15.304 4.962 2.687 947 H ALA 128 H ALA 128 11.901 0.996 7.107 948 HA ALA 128 HA ALA 128 13.605 -1.135 6.771 949 HB1 ALA 128 1HB ALA 128 12.923 -1.334 8.902 950 HB2 ALA 128 2HB ALA 128 11.539 -0.258 8.592 951 HB3 ALA 128 3HB ALA 128 11.385 -2.010 8.315 952 H ALA 129 H ALA 129 10.543 -0.450 5.233 953 HA ALA 129 HA ALA 129 9.866 -3.156 4.664 954 HB1 ALA 129 1HB ALA 129 7.939 -2.104 4.198 955 HB2 ALA 129 2HB ALA 129 8.744 -0.526 4.363 956 HB3 ALA 129 3HB ALA 129 8.706 -1.344 2.783 957 H CYS 130 H CYS 130 11.315 -0.425 2.756 958 HA CYS 130 HA CYS 130 11.717 -1.933 0.455 959 HB2 CYS 130 1HB CYS 130 11.754 0.539 0.524 960 HB3 CYS 130 2HB CYS 130 13.258 0.499 1.423 961 HG CYS 130 HG CYS 130 13.456 1.074 -1.250 962 H SER 131 H SER 131 13.919 -1.061 3.216 963 HA SER 131 HA SER 131 15.923 -1.798 3.736 964 HB2 SER 131 1HB SER 131 15.973 -4.208 4.312 965 HB3 SER 131 2HB SER 131 14.458 -3.469 4.791 966 HG SER 131 HG SER 131 13.959 -5.427 3.765 967 H GLY 132 H GLY 132 17.280 -1.113 2.002 968 HA2 GLY 132 1HA GLY 132 17.468 -2.326 -0.498 969 HA3 GLY 132 2HA GLY 132 18.704 -1.360 0.283 970 HA PRO 133 HA PRO 133 20.049 -5.768 0.084 971 HB2 PRO 133 1HB PRO 133 21.925 -5.615 -1.898 972 HB3 PRO 133 2HB PRO 133 20.281 -6.157 -2.174 973 HG2 PRO 133 1HG PRO 133 21.521 -3.568 -2.877 974 HG3 PRO 133 2HG PRO 133 20.051 -4.286 -3.503 975 HD2 PRO 133 1HD PRO 133 20.242 -2.163 -1.584 976 HD3 PRO 133 2HD PRO 133 18.777 -2.960 -2.123 977 H SER 134 H SER 134 20.587 -4.430 2.170 978 HA SER 134 HA SER 134 22.091 -4.019 3.677 979 HB2 SER 134 1HB SER 134 23.690 -5.823 1.854 980 HB3 SER 134 2HB SER 134 24.497 -5.049 3.203 981 HG SER 134 HG SER 134 23.030 -6.052 4.662 982 H SER 135 H SER 135 23.126 -2.092 4.138 983 HA SER 135 HA SER 135 24.052 -0.590 1.869 984 HB2 SER 135 1HB SER 135 23.813 0.218 4.802 985 HB3 SER 135 2HB SER 135 24.135 1.307 3.467 986 HG SER 135 HG SER 135 21.758 -0.337 3.664 987 H GLY 136 H GLY 136 25.282 -1.326 5.224 988 HA2 GLY 136 1HA GLY 136 27.914 -0.507 4.771 989 HA3 GLY 136 2HA GLY 136 27.364 -1.610 6.016 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -8.715 -12.000 -18.601 2 HA2 GLY 1 1HA GLY 1 -10.898 -13.755 -17.677 3 HA3 GLY 1 2HA GLY 1 -9.324 -14.420 -18.063 4 H SER 2 H SER 2 -9.458 -15.098 -15.700 5 HA SER 2 HA SER 2 -8.249 -12.979 -14.132 6 HB2 SER 2 1HB SER 2 -10.655 -13.117 -13.483 7 HB3 SER 2 2HB SER 2 -10.463 -14.821 -13.123 8 HG SER 2 HG SER 2 -8.558 -13.789 -11.692 9 H SER 3 H SER 3 -6.228 -13.740 -13.630 10 HA SER 3 HA SER 3 -6.077 -16.514 -12.778 11 HB2 SER 3 1HB SER 3 -3.931 -16.778 -14.013 12 HB3 SER 3 2HB SER 3 -5.281 -16.492 -15.093 13 HG SER 3 HG SER 3 -4.433 -14.062 -14.604 14 H GLY 4 H GLY 4 -4.907 -16.760 -10.880 15 HA2 GLY 4 1HA GLY 4 -3.180 -14.503 -10.064 16 HA3 GLY 4 2HA GLY 4 -4.362 -15.205 -8.977 17 H SER 5 H SER 5 -1.123 -15.281 -9.921 18 HA SER 5 HA SER 5 -0.831 -18.082 -9.228 19 HB2 SER 5 1HB SER 5 0.688 -16.139 -10.857 20 HB3 SER 5 2HB SER 5 1.715 -17.093 -9.804 21 HG SER 5 HG SER 5 0.390 -19.001 -10.699 22 H SER 6 H SER 6 -1.359 -17.704 -6.926 23 HA SER 6 HA SER 6 0.916 -16.509 -5.551 24 HB2 SER 6 1HB SER 6 -2.048 -16.196 -5.011 25 HB3 SER 6 2HB SER 6 -0.902 -16.040 -3.694 26 HG SER 6 HG SER 6 -1.494 -14.257 -5.731 27 H GLY 7 H GLY 7 1.041 -17.369 -3.171 28 HA2 GLY 7 1HA GLY 7 0.742 -20.270 -3.299 29 HA3 GLY 7 2HA GLY 7 1.691 -19.342 -2.155 30 HA PRO 8 HA PRO 8 -2.619 -20.295 -0.551 31 HB2 PRO 8 1HB PRO 8 -2.469 -22.857 0.389 32 HB3 PRO 8 2HB PRO 8 -3.186 -22.443 -1.156 33 HG2 PRO 8 1HG PRO 8 -0.565 -23.694 -0.605 34 HG3 PRO 8 2HG PRO 8 -1.472 -23.661 -2.104 35 HD2 PRO 8 1HD PRO 8 0.823 -22.070 -1.452 36 HD3 PRO 8 2HD PRO 8 -0.153 -21.955 -2.902 37 H THR 9 H THR 9 -1.112 -18.636 0.595 38 HA THR 9 HA THR 9 -1.084 -19.565 3.349 39 HB THR 9 HB THR 9 1.305 -18.690 3.578 40 HG1 THR 9 1HG THR 9 1.090 -17.477 1.492 41 HG21 THR 9 1HG2 THR 9 0.658 -21.208 3.008 42 HG22 THR 9 2HG2 THR 9 1.302 -20.804 1.399 43 HG23 THR 9 3HG2 THR 9 2.349 -20.681 2.833 44 HA PRO 10 HA PRO 10 -2.715 -15.528 3.445 45 HB2 PRO 10 1HB PRO 10 -3.843 -15.705 5.928 46 HB3 PRO 10 2HB PRO 10 -4.661 -16.217 4.465 47 HG2 PRO 10 1HG PRO 10 -3.414 -17.877 6.571 48 HG3 PRO 10 2HG PRO 10 -4.582 -18.346 5.351 49 HD2 PRO 10 1HD PRO 10 -1.767 -18.896 5.334 50 HD3 PRO 10 2HD PRO 10 -2.914 -19.262 4.061 51 H LYS 11 H LYS 11 -0.300 -16.937 5.298 52 HA LYS 11 HA LYS 11 1.344 -16.104 6.512 53 HB2 LYS 11 1HB LYS 11 0.689 -13.750 4.753 54 HB3 LYS 11 2HB LYS 11 1.929 -13.614 5.984 55 HG2 LYS 11 1HG LYS 11 2.059 -16.067 4.267 56 HG3 LYS 11 2HG LYS 11 2.405 -14.551 3.459 57 HD2 LYS 11 1HD LYS 11 4.406 -14.289 4.538 58 HD3 LYS 11 2HD LYS 11 3.741 -14.763 6.089 59 HE2 LYS 11 1HE LYS 11 4.866 -16.725 5.855 60 HE3 LYS 11 2HE LYS 11 3.700 -17.156 4.620 61 HZ1 LYS 11 1HZ LYS 11 6.350 -16.794 4.245 62 HZ2 LYS 11 2HZ LYS 11 5.225 -16.884 3.064 63 HZ3 LYS 11 3HZ LYS 11 5.707 -15.428 3.623 64 H THR 12 H THR 12 1.937 -14.426 8.281 65 HA THR 12 HA THR 12 -0.487 -13.373 9.549 66 HB THR 12 HB THR 12 -0.057 -15.650 10.479 67 HG1 THR 12 1HG THR 12 -0.675 -14.474 12.251 68 HG21 THR 12 1HG2 THR 12 2.039 -16.376 11.037 69 HG22 THR 12 2HG2 THR 12 2.683 -14.920 10.241 70 HG23 THR 12 3HG2 THR 12 2.341 -14.902 11.988 71 H GLU 13 H GLU 13 -0.125 -11.231 9.465 72 HA GLU 13 HA GLU 13 1.865 -10.170 11.082 73 HB2 GLU 13 1HB GLU 13 3.059 -10.930 8.791 74 HB3 GLU 13 2HB GLU 13 2.448 -9.384 8.238 75 HG2 GLU 13 1HG GLU 13 3.764 -8.157 9.744 76 HG3 GLU 13 2HG GLU 13 3.850 -9.465 10.907 77 H LEU 14 H LEU 14 1.043 -8.239 11.795 78 HA LEU 14 HA LEU 14 -1.240 -7.181 10.389 79 HB2 LEU 14 1HB LEU 14 -0.653 -7.484 13.004 80 HB3 LEU 14 2HB LEU 14 -0.141 -5.823 12.779 81 HG LEU 14 HG LEU 14 -2.727 -6.185 11.561 82 HD11 LEU 14 1HD1 LEU 14 -4.083 -6.808 13.435 83 HD12 LEU 14 2HD1 LEU 14 -2.881 -8.092 13.165 84 HD13 LEU 14 3HD1 LEU 14 -2.658 -6.930 14.495 85 HD21 LEU 14 1HD2 LEU 14 -2.463 -4.028 12.127 86 HD22 LEU 14 2HD2 LEU 14 -3.128 -4.544 13.695 87 HD23 LEU 14 3HD2 LEU 14 -1.367 -4.404 13.478 88 H VAL 15 H VAL 15 -1.320 -5.333 9.166 89 HA VAL 15 HA VAL 15 1.190 -4.268 8.319 90 HB VAL 15 HB VAL 15 -0.023 -3.210 6.657 91 HG11 VAL 15 1HG1 VAL 15 -2.041 -5.371 7.163 92 HG12 VAL 15 2HG1 VAL 15 -1.206 -4.917 5.658 93 HG13 VAL 15 3HG1 VAL 15 -0.336 -5.822 6.920 94 HG21 VAL 15 1HG2 VAL 15 -2.104 -2.934 8.745 95 HG22 VAL 15 2HG2 VAL 15 -1.619 -1.816 7.448 96 HG23 VAL 15 3HG2 VAL 15 -2.710 -3.175 7.089 97 H GLN 16 H GLN 16 1.568 -1.835 8.256 98 HA GLN 16 HA GLN 16 0.836 -0.801 10.874 99 HB2 GLN 16 1HB GLN 16 3.289 -0.767 9.260 100 HB3 GLN 16 2HB GLN 16 2.852 0.843 9.797 101 HG2 GLN 16 1HG GLN 16 2.754 0.099 12.139 102 HG3 GLN 16 2HG GLN 16 2.997 -1.570 11.662 103 HE21 GLN 16 1HE2 GLN 16 4.956 -1.635 9.934 104 HE22 GLN 16 2HE2 GLN 16 6.439 -0.980 10.545 105 H LYS 17 H LYS 17 -0.904 0.557 10.810 106 HA LYS 17 HA LYS 17 -1.138 2.288 8.451 107 HB2 LYS 17 1HB LYS 17 -3.144 0.883 10.170 108 HB3 LYS 17 2HB LYS 17 -3.589 2.428 9.474 109 HG2 LYS 17 1HG LYS 17 -3.214 1.640 7.221 110 HG3 LYS 17 2HG LYS 17 -2.368 0.211 7.780 111 HD2 LYS 17 1HD LYS 17 -5.310 0.778 8.376 112 HD3 LYS 17 2HD LYS 17 -4.763 -0.206 7.033 113 HE2 LYS 17 1HE LYS 17 -4.249 -1.996 8.379 114 HE3 LYS 17 2HE LYS 17 -3.558 -0.985 9.633 115 HZ1 LYS 17 1HZ LYS 17 -5.871 -2.204 9.874 116 HZ2 LYS 17 2HZ LYS 17 -5.522 -0.818 10.663 117 HZ3 LYS 17 3HZ LYS 17 -6.407 -0.775 9.292 118 H PHE 18 H PHE 18 -0.735 4.415 8.729 119 HA PHE 18 HA PHE 18 -0.955 5.435 11.474 120 HB2 PHE 18 1HB PHE 18 1.047 5.965 9.201 121 HB3 PHE 18 2HB PHE 18 0.963 6.986 10.622 122 HD1 PHE 18 2HD PHE 18 1.394 5.912 12.894 123 HD2 PHE 18 1HD PHE 18 2.301 3.980 9.227 124 HE1 PHE 18 2HE PHE 18 2.968 4.370 14.096 125 HE2 PHE 18 1HE PHE 18 3.875 2.438 10.429 126 HZ PHE 18 HZ PHE 18 4.190 2.651 12.849 127 H ARG 19 H ARG 19 -2.512 6.969 11.654 128 HA ARG 19 HA ARG 19 -3.798 7.965 9.411 129 HB2 ARG 19 1HB ARG 19 -4.560 7.771 11.937 130 HB3 ARG 19 2HB ARG 19 -3.846 9.362 12.112 131 HG2 ARG 19 1HG ARG 19 -5.420 9.478 9.734 132 HG3 ARG 19 2HG ARG 19 -6.398 8.623 10.910 133 HD2 ARG 19 1HD ARG 19 -5.580 10.592 12.540 134 HD3 ARG 19 2HD ARG 19 -5.321 11.445 11.031 135 HE ARG 19 HE ARG 19 -7.890 10.313 10.824 136 HH11 ARG 19 2HH2 ARG 19 -6.262 12.610 12.934 137 HH12 ARG 19 1HH2 ARG 19 -7.707 13.489 13.305 138 HH21 ARG 19 2HH1 ARG 19 -9.798 11.472 11.313 139 HH22 ARG 19 1HH1 ARG 19 -9.732 12.837 12.377 140 H VAL 20 H VAL 20 -2.592 9.197 7.947 141 HA VAL 20 HA VAL 20 -1.311 11.589 9.074 142 HB VAL 20 HB VAL 20 0.462 11.387 7.492 143 HG11 VAL 20 1HG1 VAL 20 0.994 8.735 8.122 144 HG12 VAL 20 2HG1 VAL 20 1.390 10.156 9.118 145 HG13 VAL 20 3HG1 VAL 20 -0.118 9.257 9.411 146 HG21 VAL 20 1HG2 VAL 20 -0.447 10.547 5.518 147 HG22 VAL 20 2HG2 VAL 20 0.562 9.197 6.089 148 HG23 VAL 20 3HG2 VAL 20 -1.200 9.156 6.335 149 H GLN 21 H GLN 21 -1.237 13.440 7.537 150 HA GLN 21 HA GLN 21 -3.712 13.481 6.074 151 HB2 GLN 21 1HB GLN 21 -1.762 15.554 7.074 152 HB3 GLN 21 2HB GLN 21 -2.846 15.989 5.768 153 HG2 GLN 21 1HG GLN 21 -4.809 15.336 7.137 154 HG3 GLN 21 2HG GLN 21 -3.756 14.799 8.430 155 HE21 GLN 21 1HE2 GLN 21 -5.389 17.399 6.991 156 HE22 GLN 21 2HE2 GLN 21 -4.814 18.694 7.988 157 H TYR 22 H TYR 22 -3.827 14.333 3.826 158 HA TYR 22 HA TYR 22 -1.435 13.526 2.326 159 HB2 TYR 22 1HB TYR 22 -3.934 12.537 2.178 160 HB3 TYR 22 2HB TYR 22 -4.278 14.012 1.297 161 HD1 TYR 22 1HD TYR 22 -1.106 13.683 0.293 162 HD2 TYR 22 2HD TYR 22 -4.769 11.496 -0.027 163 HE1 TYR 22 1HE TYR 22 -0.277 12.594 -1.850 164 HE2 TYR 22 2HE TYR 22 -3.928 10.415 -2.169 165 HH TYR 22 HH TYR 22 -1.624 11.553 -3.976 166 H LEU 23 H LEU 23 -0.188 15.335 1.989 167 HA LEU 23 HA LEU 23 -1.314 17.907 1.707 168 HB2 LEU 23 1HB LEU 23 1.390 16.675 1.434 169 HB3 LEU 23 2HB LEU 23 1.128 18.268 0.751 170 HG LEU 23 HG LEU 23 0.067 18.610 3.243 171 HD11 LEU 23 1HD1 LEU 23 2.461 17.388 4.259 172 HD12 LEU 23 2HD1 LEU 23 0.767 17.135 4.743 173 HD13 LEU 23 3HD1 LEU 23 1.471 16.166 3.426 174 HD21 LEU 23 1HD2 LEU 23 2.028 19.738 1.771 175 HD22 LEU 23 2HD2 LEU 23 1.687 20.163 3.465 176 HD23 LEU 23 3HD2 LEU 23 2.996 19.019 3.081 177 H GLY 24 H GLY 24 -0.022 15.463 -0.627 178 HA2 GLY 24 1HA GLY 24 -1.721 15.618 -2.632 179 HA3 GLY 24 2HA GLY 24 -0.885 17.141 -2.860 180 H MET 25 H MET 25 -0.490 15.747 -4.990 181 HA MET 25 HA MET 25 1.975 14.247 -4.551 182 HB2 MET 25 1HB MET 25 -0.244 13.194 -5.612 183 HB3 MET 25 2HB MET 25 0.256 14.049 -7.058 184 HG2 MET 25 1HG MET 25 2.564 12.906 -6.769 185 HG3 MET 25 2HG MET 25 1.805 11.890 -5.559 186 HE1 MET 25 1HE MET 25 0.990 12.223 -9.992 187 HE2 MET 25 2HE MET 25 -0.340 12.949 -9.057 188 HE3 MET 25 3HE MET 25 1.328 13.526 -8.827 189 H LEU 26 H LEU 26 3.778 15.360 -5.155 190 HA LEU 26 HA LEU 26 3.459 17.301 -7.336 191 HB2 LEU 26 1HB LEU 26 4.063 18.060 -4.962 192 HB3 LEU 26 2HB LEU 26 5.627 17.324 -5.250 193 HG LEU 26 HG LEU 26 4.800 19.138 -7.406 194 HD11 LEU 26 1HD1 LEU 26 4.968 21.206 -6.235 195 HD12 LEU 26 2HD1 LEU 26 3.737 20.224 -5.406 196 HD13 LEU 26 3HD1 LEU 26 5.366 20.385 -4.707 197 HD21 LEU 26 1HD2 LEU 26 7.117 18.026 -6.674 198 HD22 LEU 26 2HD2 LEU 26 7.022 19.575 -7.547 199 HD23 LEU 26 3HD2 LEU 26 7.257 19.560 -5.783 200 HA PRO 27 HA PRO 27 6.063 14.611 -9.537 201 HB2 PRO 27 1HB PRO 27 6.275 16.077 -11.834 202 HB3 PRO 27 2HB PRO 27 4.929 15.005 -11.502 203 HG2 PRO 27 1HG PRO 27 5.016 17.958 -11.400 204 HG3 PRO 27 2HG PRO 27 3.619 16.904 -11.493 205 HD2 PRO 27 1HD PRO 27 4.578 18.281 -9.166 206 HD3 PRO 27 2HD PRO 27 3.253 17.136 -9.235 207 H VAL 28 H VAL 28 8.225 14.334 -10.340 208 HA VAL 28 HA VAL 28 9.915 16.651 -10.019 209 HB VAL 28 HB VAL 28 11.341 15.671 -8.355 210 HG11 VAL 28 1HG1 VAL 28 8.467 15.518 -7.389 211 HG12 VAL 28 2HG1 VAL 28 9.915 15.829 -6.402 212 HG13 VAL 28 3HG1 VAL 28 9.388 17.024 -7.612 213 HG21 VAL 28 1HG2 VAL 28 11.064 13.307 -8.930 214 HG22 VAL 28 2HG2 VAL 28 10.777 13.574 -7.193 215 HG23 VAL 28 3HG2 VAL 28 9.401 13.335 -8.296 216 H ASP 29 H ASP 29 11.966 16.379 -11.069 217 HA ASP 29 HA ASP 29 11.824 14.340 -13.071 218 HB2 ASP 29 1HB ASP 29 12.526 16.421 -13.942 219 HB3 ASP 29 2HB ASP 29 13.525 16.782 -12.548 220 H ARG 30 H ARG 30 13.927 15.414 -10.326 221 HA ARG 30 HA ARG 30 15.766 13.298 -10.767 222 HB2 ARG 30 1HB ARG 30 15.619 15.721 -9.165 223 HB3 ARG 30 2HB ARG 30 16.061 14.386 -8.120 224 HG2 ARG 30 1HG ARG 30 17.452 14.932 -10.780 225 HG3 ARG 30 2HG ARG 30 18.011 15.604 -9.261 226 HD2 ARG 30 1HD ARG 30 19.039 13.653 -8.708 227 HD3 ARG 30 2HD ARG 30 17.549 12.754 -8.915 228 HE ARG 30 HE ARG 30 18.311 13.143 -11.516 229 HH11 ARG 30 2HH2 ARG 30 20.078 11.988 -8.700 230 HH12 ARG 30 1HH2 ARG 30 21.148 10.986 -9.623 231 HH21 ARG 30 2HH1 ARG 30 19.723 11.822 -12.734 232 HH22 ARG 30 1HH1 ARG 30 20.944 10.892 -11.933 233 HA PRO 31 HA PRO 31 13.361 10.508 -8.348 234 HB2 PRO 31 1HB PRO 31 14.886 8.277 -8.755 235 HB3 PRO 31 2HB PRO 31 13.636 8.799 -9.867 236 HG2 PRO 31 1HG PRO 31 16.571 9.011 -10.146 237 HG3 PRO 31 2HG PRO 31 15.339 9.126 -11.387 238 HD2 PRO 31 1HD PRO 31 16.789 11.299 -10.201 239 HD3 PRO 31 2HD PRO 31 15.477 11.421 -11.357 240 H VAL 32 H VAL 32 16.400 11.701 -7.742 241 HA VAL 32 HA VAL 32 16.140 10.802 -4.985 242 HB VAL 32 HB VAL 32 18.583 10.290 -4.943 243 HG11 VAL 32 1HG1 VAL 32 16.615 8.629 -6.506 244 HG12 VAL 32 2HG1 VAL 32 18.283 8.060 -6.255 245 HG13 VAL 32 3HG1 VAL 32 17.235 8.393 -4.855 246 HG21 VAL 32 1HG2 VAL 32 18.322 10.263 -7.969 247 HG22 VAL 32 2HG2 VAL 32 19.195 11.492 -7.021 248 HG23 VAL 32 3HG2 VAL 32 19.756 9.802 -7.020 249 H GLY 33 H GLY 33 17.355 12.186 -3.478 250 HA2 GLY 33 1HA GLY 33 18.867 14.127 -3.354 251 HA3 GLY 33 2HA GLY 33 17.953 14.827 -4.675 252 H MET 34 H MET 34 18.307 14.752 -1.314 253 HA MET 34 HA MET 34 15.668 14.878 -0.466 254 HB2 MET 34 1HB MET 34 18.350 15.858 0.595 255 HB3 MET 34 2HB MET 34 16.887 16.274 1.464 256 HG2 MET 34 1HG MET 34 16.610 13.510 0.930 257 HG3 MET 34 2HG MET 34 18.303 13.700 1.338 258 HE1 MET 34 1HE MET 34 14.775 13.295 2.738 259 HE2 MET 34 2HE MET 34 14.674 14.536 4.009 260 HE3 MET 34 3HE MET 34 14.788 15.020 2.300 261 H ASP 35 H ASP 35 17.946 17.376 -1.683 262 HA ASP 35 HA ASP 35 16.791 19.642 -0.930 263 HB2 ASP 35 1HB ASP 35 18.086 18.749 -3.497 264 HB3 ASP 35 2HB ASP 35 17.304 20.317 -3.506 265 H THR 36 H THR 36 16.037 18.038 -4.125 266 HA THR 36 HA THR 36 13.790 19.526 -4.722 267 HB THR 36 HB THR 36 14.923 16.828 -5.487 268 HG1 THR 36 1HG THR 36 14.927 18.099 -7.511 269 HG21 THR 36 1HG2 THR 36 12.627 16.224 -5.756 270 HG22 THR 36 2HG2 THR 36 12.146 17.894 -6.139 271 HG23 THR 36 3HG2 THR 36 13.050 16.932 -7.333 272 H LEU 37 H LEU 37 14.031 16.437 -2.868 273 HA LEU 37 HA LEU 37 11.348 15.965 -2.575 274 HB2 LEU 37 1HB LEU 37 13.175 14.451 -1.942 275 HB3 LEU 37 2HB LEU 37 13.569 15.485 -0.583 276 HG LEU 37 HG LEU 37 10.887 14.967 -0.168 277 HD11 LEU 37 1HD1 LEU 37 11.824 12.974 -1.986 278 HD12 LEU 37 2HD1 LEU 37 11.542 12.210 -0.403 279 HD13 LEU 37 3HD1 LEU 37 10.234 13.118 -1.199 280 HD21 LEU 37 1HD2 LEU 37 13.446 13.863 0.935 281 HD22 LEU 37 2HD2 LEU 37 12.239 14.929 1.692 282 HD23 LEU 37 3HD2 LEU 37 11.890 13.196 1.485 283 H ASN 38 H ASN 38 13.417 17.575 -0.054 284 HA ASN 38 HA ASN 38 11.434 18.430 1.525 285 HB2 ASN 38 1HB ASN 38 14.112 19.665 0.780 286 HB3 ASN 38 2HB ASN 38 13.063 20.504 1.905 287 HD21 ASN 38 1HD2 ASN 38 15.000 17.677 1.302 288 HD22 ASN 38 2HD2 ASN 38 15.074 17.069 2.922 289 H SER 39 H SER 39 12.690 19.895 -1.521 290 HA SER 39 HA SER 39 11.318 22.296 -1.321 291 HB2 SER 39 1HB SER 39 13.085 21.057 -3.137 292 HB3 SER 39 2HB SER 39 11.638 21.349 -4.080 293 HG SER 39 HG SER 39 12.326 23.365 -4.234 294 H ALA 40 H ALA 40 10.425 19.052 -2.557 295 HA ALA 40 HA ALA 40 8.051 19.867 -3.845 296 HB1 ALA 40 1HB ALA 40 8.706 17.145 -2.660 297 HB2 ALA 40 2HB ALA 40 7.623 17.509 -4.025 298 HB3 ALA 40 3HB ALA 40 9.380 17.732 -4.199 299 H ILE 41 H ILE 41 8.948 19.059 -0.494 300 HA ILE 41 HA ILE 41 6.287 18.712 0.411 301 HB ILE 41 HB ILE 41 8.993 18.961 1.612 302 HG12 ILE 41 1HG1 ILE 41 6.719 17.009 2.074 303 HG13 ILE 41 2HG1 ILE 41 7.985 16.795 0.882 304 HG21 ILE 41 1HG2 ILE 41 7.934 18.934 3.905 305 HG22 ILE 41 2HG2 ILE 41 7.887 20.492 3.045 306 HG23 ILE 41 3HG2 ILE 41 6.428 19.476 3.127 307 HD11 ILE 41 1HD1 ILE 41 8.627 15.567 2.876 308 HD12 ILE 41 2HD1 ILE 41 9.695 16.986 2.751 309 HD13 ILE 41 3HD1 ILE 41 8.340 16.991 3.905 310 H GLU 42 H GLU 42 8.634 21.368 1.218 311 HA GLU 42 HA GLU 42 6.986 23.102 2.310 312 HB2 GLU 42 1HB GLU 42 8.567 24.764 1.843 313 HB3 GLU 42 2HB GLU 42 9.509 23.304 1.615 314 HG2 GLU 42 1HG GLU 42 9.098 23.402 -0.841 315 HG3 GLU 42 2HG GLU 42 8.110 24.834 -0.630 316 H ASN 43 H ASN 43 7.365 22.628 -1.258 317 HA ASN 43 HA ASN 43 5.692 24.658 -2.033 318 HB2 ASN 43 1HB ASN 43 7.174 22.687 -3.306 319 HB3 ASN 43 2HB ASN 43 5.543 22.141 -3.643 320 HD21 ASN 43 1HD2 ASN 43 7.501 23.143 -5.483 321 HD22 ASN 43 2HD2 ASN 43 6.852 24.549 -6.257 322 H LEU 44 H LEU 44 5.034 21.098 -1.576 323 HA LEU 44 HA LEU 44 2.271 21.312 -2.043 324 HB2 LEU 44 1HB LEU 44 4.204 19.275 -1.201 325 HB3 LEU 44 2HB LEU 44 2.609 19.058 -0.508 326 HG LEU 44 HG LEU 44 3.366 19.123 -3.434 327 HD11 LEU 44 1HD1 LEU 44 2.099 17.010 -1.670 328 HD12 LEU 44 2HD1 LEU 44 2.317 16.877 -3.432 329 HD13 LEU 44 3HD1 LEU 44 3.737 16.992 -2.366 330 HD21 LEU 44 1HD2 LEU 44 0.773 18.591 -3.617 331 HD22 LEU 44 2HD2 LEU 44 0.715 19.593 -2.146 332 HD23 LEU 44 3HD2 LEU 44 1.400 20.257 -3.649 333 H MET 45 H MET 45 4.249 22.363 0.557 334 HA MET 45 HA MET 45 2.151 22.034 2.501 335 HB2 MET 45 1HB MET 45 5.017 23.081 2.513 336 HB3 MET 45 2HB MET 45 3.976 23.380 3.890 337 HG2 MET 45 1HG MET 45 3.537 20.870 4.017 338 HG3 MET 45 2HG MET 45 4.732 20.645 2.756 339 HE1 MET 45 1HE MET 45 5.256 21.042 7.111 340 HE2 MET 45 2HE MET 45 4.661 22.611 6.516 341 HE3 MET 45 3HE MET 45 3.775 21.117 6.126 342 H THR 46 H THR 46 3.849 24.633 0.667 343 HA THR 46 HA THR 46 2.276 26.697 1.923 344 HB THR 46 HB THR 46 4.635 27.083 1.276 345 HG1 THR 46 1HG THR 46 3.711 29.053 0.865 346 HG21 THR 46 1HG2 THR 46 3.683 25.915 -1.286 347 HG22 THR 46 2HG2 THR 46 4.571 27.444 -1.489 348 HG23 THR 46 3HG2 THR 46 5.345 26.068 -0.666 349 H SER 47 H SER 47 1.705 24.373 -0.495 350 HA SER 47 HA SER 47 0.221 26.009 -2.237 351 HB2 SER 47 1HB SER 47 1.113 23.930 -3.075 352 HB3 SER 47 2HB SER 47 0.362 23.004 -1.791 353 HG SER 47 HG SER 47 -0.654 23.612 -4.224 354 H SER 48 H SER 48 -1.105 23.157 -0.444 355 HA SER 48 HA SER 48 -3.535 24.655 -0.078 356 HB2 SER 48 1HB SER 48 -2.771 21.738 0.294 357 HB3 SER 48 2HB SER 48 -4.310 22.353 0.863 358 HG SER 48 HG SER 48 -4.547 21.505 -1.265 359 H SER 49 H SER 49 -4.696 24.121 2.190 360 HA SER 49 HA SER 49 -2.900 25.159 4.141 361 HB2 SER 49 1HB SER 49 -5.812 24.315 4.470 362 HB3 SER 49 2HB SER 49 -4.902 25.347 5.555 363 HG SER 49 HG SER 49 -5.159 27.041 4.237 364 H LYS 50 H LYS 50 -3.044 24.152 6.483 365 HA LYS 50 HA LYS 50 -2.023 21.541 6.313 366 HB2 LYS 50 1HB LYS 50 -1.132 22.688 8.080 367 HB3 LYS 50 2HB LYS 50 -2.630 23.510 8.465 368 HG2 LYS 50 1HG LYS 50 -3.541 21.585 9.572 369 HG3 LYS 50 2HG LYS 50 -2.361 20.506 8.855 370 HD2 LYS 50 1HD LYS 50 -0.563 21.891 10.130 371 HD3 LYS 50 2HD LYS 50 -1.897 22.589 11.027 372 HE2 LYS 50 1HE LYS 50 -1.965 19.613 10.829 373 HE3 LYS 50 2HE LYS 50 -0.600 20.252 11.724 374 HZ1 LYS 50 1HZ LYS 50 -2.496 19.915 13.136 375 HZ2 LYS 50 2HZ LYS 50 -2.144 21.508 13.069 376 HZ3 LYS 50 3HZ LYS 50 -3.417 20.917 12.234 377 H GLU 51 H GLU 51 -5.133 22.826 7.687 378 HA GLU 51 HA GLU 51 -6.133 20.277 8.198 379 HB2 GLU 51 1HB GLU 51 -7.599 22.921 7.783 380 HB3 GLU 51 2HB GLU 51 -8.327 21.476 8.456 381 HG2 GLU 51 1HG GLU 51 -6.743 21.498 10.347 382 HG3 GLU 51 2HG GLU 51 -5.870 22.846 9.646 383 H ASP 52 H ASP 52 -6.069 22.348 5.318 384 HA ASP 52 HA ASP 52 -8.164 21.351 3.916 385 HB2 ASP 52 1HB ASP 52 -5.592 22.667 3.326 386 HB3 ASP 52 2HB ASP 52 -6.096 21.617 2.017 387 H TRP 53 H TRP 53 -5.165 19.820 4.909 388 HA TRP 53 HA TRP 53 -5.127 17.830 2.853 389 HB2 TRP 53 1HB TRP 53 -3.697 17.774 5.508 390 HB3 TRP 53 2HB TRP 53 -3.292 16.894 4.048 391 HD1 TRP 53 HD TRP 53 -3.454 19.430 1.996 392 HE1 TRP 53 1HE TRP 53 -1.575 21.282 1.964 393 HE3 TRP 53 3HE TRP 53 -1.719 18.496 6.684 394 HZ2 TRP 53 2HZ TRP 53 0.382 22.130 3.860 395 HZ3 TRP 53 3HZ TRP 53 0.179 19.881 7.517 396 HH2 TRP 53 HH TRP 53 1.224 21.646 6.187 397 HA PRO 54 HA PRO 54 -8.168 15.397 4.842 398 HB2 PRO 54 1HB PRO 54 -8.176 13.295 3.096 399 HB3 PRO 54 2HB PRO 54 -9.092 14.765 2.830 400 HG2 PRO 54 1HG PRO 54 -6.590 13.878 1.529 401 HG3 PRO 54 2HG PRO 54 -7.731 15.099 0.998 402 HD2 PRO 54 1HD PRO 54 -5.178 15.553 2.225 403 HD3 PRO 54 2HD PRO 54 -6.368 16.768 1.801 404 H SER 55 H SER 55 -8.321 13.881 6.437 405 HA SER 55 HA SER 55 -5.793 12.878 7.225 406 HB2 SER 55 1HB SER 55 -8.061 11.683 8.631 407 HB3 SER 55 2HB SER 55 -6.790 12.717 9.254 408 HG SER 55 HG SER 55 -9.132 13.521 9.273 409 H VAL 56 H VAL 56 -4.939 11.221 5.978 410 HA VAL 56 HA VAL 56 -6.761 9.008 5.337 411 HB VAL 56 HB VAL 56 -5.396 8.545 3.453 412 HG11 VAL 56 1HG1 VAL 56 -6.037 10.289 2.119 413 HG12 VAL 56 2HG1 VAL 56 -6.964 10.705 3.581 414 HG13 VAL 56 3HG1 VAL 56 -5.421 11.525 3.242 415 HG21 VAL 56 1HG2 VAL 56 -3.516 10.801 4.187 416 HG22 VAL 56 2HG2 VAL 56 -3.223 9.113 4.669 417 HG23 VAL 56 3HG2 VAL 56 -3.310 9.544 2.944 418 H ASN 57 H ASN 57 -5.299 6.865 5.034 419 HA ASN 57 HA ASN 57 -3.675 6.754 7.455 420 HB2 ASN 57 1HB ASN 57 -5.649 4.790 6.233 421 HB3 ASN 57 2HB ASN 57 -4.349 4.182 7.239 422 HD21 ASN 57 1HD2 ASN 57 -7.413 4.655 7.410 423 HD22 ASN 57 2HD2 ASN 57 -7.654 5.302 8.999 424 H MET 58 H MET 58 -1.647 5.614 7.264 425 HA MET 58 HA MET 58 -0.953 4.970 4.509 426 HB2 MET 58 1HB MET 58 0.312 6.789 5.869 427 HB3 MET 58 2HB MET 58 0.924 5.492 6.875 428 HG2 MET 58 1HG MET 58 2.647 5.498 5.341 429 HG3 MET 58 2HG MET 58 1.562 4.456 4.440 430 HE1 MET 58 1HE MET 58 2.511 8.865 3.666 431 HE2 MET 58 2HE MET 58 2.335 8.125 5.276 432 HE3 MET 58 3HE MET 58 3.673 7.632 4.211 433 H ASN 59 H ASN 59 -1.442 2.787 4.267 434 HA ASN 59 HA ASN 59 -0.904 0.987 6.394 435 HB2 ASN 59 1HB ASN 59 -2.800 0.713 4.729 436 HB3 ASN 59 2HB ASN 59 -1.619 0.421 3.468 437 HD21 ASN 59 1HD2 ASN 59 -3.767 -1.239 4.703 438 HD22 ASN 59 2HD2 ASN 59 -3.018 -2.727 5.178 439 H VAL 60 H VAL 60 0.829 -0.569 6.465 440 HA VAL 60 HA VAL 60 2.753 -0.442 4.262 441 HB VAL 60 HB VAL 60 3.434 -0.293 7.205 442 HG11 VAL 60 1HG1 VAL 60 5.006 -0.831 4.764 443 HG12 VAL 60 2HG1 VAL 60 5.688 0.422 5.828 444 HG13 VAL 60 3HG1 VAL 60 5.360 -1.206 6.468 445 HG21 VAL 60 1HG2 VAL 60 3.115 1.909 7.048 446 HG22 VAL 60 2HG2 VAL 60 4.423 1.969 5.842 447 HG23 VAL 60 3HG2 VAL 60 2.733 1.780 5.314 448 H ALA 61 H ALA 61 2.680 -2.463 3.413 449 HA ALA 61 HA ALA 61 3.295 -4.671 5.134 450 HB1 ALA 61 1HB ALA 61 0.940 -5.457 3.652 451 HB2 ALA 61 2HB ALA 61 1.234 -5.520 5.407 452 HB3 ALA 61 3HB ALA 61 0.562 -4.046 4.669 453 H ASP 62 H ASP 62 3.531 -6.725 3.759 454 HA ASP 62 HA ASP 62 4.729 -7.609 2.154 455 HB2 ASP 62 1HB ASP 62 2.242 -7.299 1.275 456 HB3 ASP 62 2HB ASP 62 2.964 -6.156 0.161 457 H ALA 63 H ALA 63 5.938 -5.180 3.017 458 HA ALA 63 HA ALA 63 7.288 -3.514 2.435 459 HB1 ALA 63 1HB ALA 63 8.243 -4.541 -0.095 460 HB2 ALA 63 2HB ALA 63 9.060 -4.515 1.486 461 HB3 ALA 63 3HB ALA 63 8.010 -5.884 1.049 462 H THR 64 H THR 64 4.786 -2.703 1.923 463 HA THR 64 HA THR 64 5.140 -1.122 -0.490 464 HB THR 64 HB THR 64 2.797 -3.029 0.010 465 HG1 THR 64 1HG THR 64 3.769 -4.025 -1.776 466 HG21 THR 64 1HG2 THR 64 3.159 -1.211 -2.404 467 HG22 THR 64 2HG2 THR 64 1.699 -2.088 -1.886 468 HG23 THR 64 3HG2 THR 64 2.240 -0.651 -0.986 469 H VAL 65 H VAL 65 3.766 0.777 -0.557 470 HA VAL 65 HA VAL 65 2.733 1.425 2.119 471 HB VAL 65 HB VAL 65 4.509 2.917 0.238 472 HG11 VAL 65 1HG1 VAL 65 2.459 4.188 2.071 473 HG12 VAL 65 2HG1 VAL 65 3.915 5.037 1.501 474 HG13 VAL 65 3HG1 VAL 65 2.703 4.464 0.330 475 HG21 VAL 65 1HG2 VAL 65 5.867 2.347 1.940 476 HG22 VAL 65 2HG2 VAL 65 5.088 3.690 2.811 477 HG23 VAL 65 3HG2 VAL 65 4.509 2.022 3.044 478 H THR 66 H THR 66 0.550 1.093 1.831 479 HA THR 66 HA THR 66 -0.654 2.380 -0.527 480 HB THR 66 HB THR 66 -1.708 0.136 1.275 481 HG1 THR 66 1HG THR 66 -0.444 0.307 -1.370 482 HG21 THR 66 1HG2 THR 66 -2.565 1.111 -1.501 483 HG22 THR 66 2HG2 THR 66 -3.263 -0.267 -0.617 484 HG23 THR 66 3HG2 THR 66 -3.485 1.389 -0.003 485 H VAL 67 H VAL 67 -1.665 4.254 -0.231 486 HA VAL 67 HA VAL 67 -2.243 5.072 2.480 487 HB VAL 67 HB VAL 67 -2.534 6.484 -0.180 488 HG11 VAL 67 1HG1 VAL 67 -3.035 7.331 2.656 489 HG12 VAL 67 2HG1 VAL 67 -2.394 8.518 1.494 490 HG13 VAL 67 3HG1 VAL 67 -3.947 7.707 1.174 491 HG21 VAL 67 1HG2 VAL 67 -0.193 5.734 0.999 492 HG22 VAL 67 2HG2 VAL 67 -0.386 7.170 -0.035 493 HG23 VAL 67 3HG2 VAL 67 -0.446 7.334 1.736 494 H ILE 68 H ILE 68 -4.070 4.235 3.376 495 HA ILE 68 HA ILE 68 -6.401 3.960 1.629 496 HB ILE 68 HB ILE 68 -5.808 2.779 4.345 497 HG12 ILE 68 1HG1 ILE 68 -5.621 1.658 1.544 498 HG13 ILE 68 2HG1 ILE 68 -4.361 1.757 2.758 499 HG21 ILE 68 1HG2 ILE 68 -8.185 3.112 4.094 500 HG22 ILE 68 2HG2 ILE 68 -8.157 2.375 2.474 501 HG23 ILE 68 3HG2 ILE 68 -7.808 1.382 3.909 502 HD11 ILE 68 1HD1 ILE 68 -6.727 -0.117 2.625 503 HD12 ILE 68 2HD1 ILE 68 -5.017 -0.483 2.958 504 HD13 ILE 68 3HD1 ILE 68 -6.024 0.282 4.211 505 H SER 69 H SER 69 -8.483 4.773 2.334 506 HA SER 69 HA SER 69 -8.241 7.331 3.437 507 HB2 SER 69 1HB SER 69 -9.969 6.880 1.803 508 HB3 SER 69 2HB SER 69 -10.637 5.579 2.767 509 HG SER 69 HG SER 69 -10.511 8.267 3.798 510 H GLU 70 H GLU 70 -9.428 8.136 5.410 511 HA GLU 70 HA GLU 70 -8.784 6.518 7.603 512 HB2 GLU 70 1HB GLU 70 -8.634 8.738 8.195 513 HB3 GLU 70 2HB GLU 70 -9.949 9.225 7.144 514 HG2 GLU 70 1HG GLU 70 -11.613 8.316 8.727 515 HG3 GLU 70 2HG GLU 70 -10.340 7.674 9.746 516 H LYS 71 H LYS 71 -11.916 7.537 6.090 517 HA LYS 71 HA LYS 71 -13.251 5.540 7.766 518 HB2 LYS 71 1HB LYS 71 -14.198 7.711 8.058 519 HB3 LYS 71 2HB LYS 71 -14.254 8.007 6.332 520 HG2 LYS 71 1HG LYS 71 -16.318 7.083 6.228 521 HG3 LYS 71 2HG LYS 71 -15.674 5.555 6.796 522 HD2 LYS 71 1HD LYS 71 -15.784 7.136 9.124 523 HD3 LYS 71 2HD LYS 71 -17.240 7.580 8.256 524 HE2 LYS 71 1HE LYS 71 -18.164 5.446 8.415 525 HE3 LYS 71 2HE LYS 71 -16.605 4.646 8.389 526 HZ1 LYS 71 1HZ LYS 71 -16.855 4.497 10.563 527 HZ2 LYS 71 2HZ LYS 71 -16.567 6.101 10.668 528 HZ3 LYS 71 3HZ LYS 71 -18.103 5.549 10.610 529 H ASN 72 H ASN 72 -11.978 4.025 6.189 530 HA ASN 72 HA ASN 72 -13.747 2.718 4.661 531 HB2 ASN 72 1HB ASN 72 -12.818 5.096 3.259 532 HB3 ASN 72 2HB ASN 72 -12.219 3.681 2.416 533 HD21 ASN 72 1HD2 ASN 72 -14.618 5.814 2.443 534 HD22 ASN 72 2HD2 ASN 72 -15.951 4.886 1.840 535 H GLU 73 H GLU 73 -12.680 0.744 4.881 536 HA GLU 73 HA GLU 73 -9.787 0.788 4.717 537 HB2 GLU 73 1HB GLU 73 -11.729 -1.323 5.753 538 HB3 GLU 73 2HB GLU 73 -9.991 -1.539 5.703 539 HG2 GLU 73 1HG GLU 73 -10.571 1.017 6.948 540 HG3 GLU 73 2HG GLU 73 -11.546 -0.217 7.721 541 H GLU 74 H GLU 74 -10.355 1.195 2.251 542 HA GLU 74 HA GLU 74 -9.611 -1.084 0.898 543 HB2 GLU 74 1HB GLU 74 -11.679 -1.535 -0.443 544 HB3 GLU 74 2HB GLU 74 -11.858 -1.950 1.250 545 HG2 GLU 74 1HG GLU 74 -13.733 -0.663 1.233 546 HG3 GLU 74 2HG GLU 74 -12.661 0.723 1.207 547 H GLU 75 H GLU 75 -11.281 2.079 0.903 548 HA GLU 75 HA GLU 75 -10.821 2.650 -1.787 549 HB2 GLU 75 1HB GLU 75 -12.326 3.797 0.118 550 HB3 GLU 75 2HB GLU 75 -10.934 4.851 0.265 551 HG2 GLU 75 1HG GLU 75 -11.046 5.401 -2.146 552 HG3 GLU 75 2HG GLU 75 -12.364 4.268 -2.371 553 H VAL 76 H VAL 76 -8.517 1.746 -1.808 554 HA VAL 76 HA VAL 76 -6.457 3.090 -0.472 555 HB VAL 76 HB VAL 76 -6.013 0.940 -1.247 556 HG11 VAL 76 1HG1 VAL 76 -7.431 0.243 -2.866 557 HG12 VAL 76 2HG1 VAL 76 -7.457 1.828 -3.677 558 HG13 VAL 76 3HG1 VAL 76 -6.101 0.708 -3.954 559 HG21 VAL 76 1HG2 VAL 76 -4.113 2.462 -1.562 560 HG22 VAL 76 2HG2 VAL 76 -4.115 1.172 -2.788 561 HG23 VAL 76 3HG2 VAL 76 -4.659 2.811 -3.220 562 H LEU 77 H LEU 77 -6.360 5.305 -0.624 563 HA LEU 77 HA LEU 77 -7.040 6.734 -2.922 564 HB2 LEU 77 1HB LEU 77 -5.356 7.428 -0.516 565 HB3 LEU 77 2HB LEU 77 -5.770 8.583 -1.768 566 HG LEU 77 HG LEU 77 -7.991 7.078 -0.438 567 HD11 LEU 77 1HD1 LEU 77 -6.074 8.510 1.070 568 HD12 LEU 77 2HD1 LEU 77 -7.530 9.530 0.979 569 HD13 LEU 77 3HD1 LEU 77 -7.645 7.868 1.604 570 HD21 LEU 77 1HD2 LEU 77 -7.787 9.955 -1.362 571 HD22 LEU 77 2HD2 LEU 77 -8.378 8.609 -2.364 572 HD23 LEU 77 3HD2 LEU 77 -9.256 9.069 -0.886 573 H VAL 78 H VAL 78 -3.860 5.565 -1.657 574 HA VAL 78 HA VAL 78 -2.863 5.708 -4.387 575 HB VAL 78 HB VAL 78 -1.750 7.188 -2.017 576 HG11 VAL 78 1HG1 VAL 78 -0.240 6.262 -4.480 577 HG12 VAL 78 2HG1 VAL 78 0.319 7.563 -3.401 578 HG13 VAL 78 3HG1 VAL 78 0.131 5.907 -2.775 579 HG21 VAL 78 1HG2 VAL 78 -1.396 8.750 -4.232 580 HG22 VAL 78 2HG2 VAL 78 -2.876 7.860 -4.664 581 HG23 VAL 78 3HG2 VAL 78 -2.817 8.813 -3.162 582 H GLU 79 H GLU 79 -1.285 4.125 -4.840 583 HA GLU 79 HA GLU 79 -0.735 2.356 -2.586 584 HB2 GLU 79 1HB GLU 79 -2.409 1.299 -4.028 585 HB3 GLU 79 2HB GLU 79 -1.436 1.597 -5.455 586 HG2 GLU 79 1HG GLU 79 0.387 0.241 -3.913 587 HG3 GLU 79 2HG GLU 79 -1.100 -0.478 -3.326 588 H CYS 80 H CYS 80 1.385 2.955 -2.143 589 HA CYS 80 HA CYS 80 3.191 3.154 -4.421 590 HB2 CYS 80 1HB CYS 80 2.993 4.949 -2.543 591 HB3 CYS 80 2HB CYS 80 3.925 3.826 -1.573 592 HG CYS 80 HG CYS 80 4.630 5.415 -4.357 593 H ARG 81 H ARG 81 5.112 1.825 -4.503 594 HA ARG 81 HA ARG 81 5.051 -0.373 -2.595 595 HB2 ARG 81 1HB ARG 81 5.575 -0.460 -5.605 596 HB3 ARG 81 2HB ARG 81 5.961 -1.798 -4.542 597 HG2 ARG 81 1HG ARG 81 3.703 -2.270 -4.075 598 HG3 ARG 81 2HG ARG 81 3.178 -0.632 -4.410 599 HD2 ARG 81 1HD ARG 81 2.934 -1.029 -6.665 600 HD3 ARG 81 2HD ARG 81 4.388 -2.002 -6.757 601 HE ARG 81 HE ARG 81 2.666 -3.618 -5.323 602 HH11 ARG 81 2HH2 ARG 81 2.400 -1.928 -8.398 603 HH12 ARG 81 1HH2 ARG 81 1.306 -3.083 -9.083 604 HH21 ARG 81 2HH1 ARG 81 1.222 -5.142 -6.227 605 HH22 ARG 81 1HH1 ARG 81 0.631 -4.923 -7.840 606 H VAL 82 H VAL 82 7.037 -0.842 -1.623 607 HA VAL 82 HA VAL 82 9.125 0.985 -1.861 608 HB VAL 82 HB VAL 82 10.259 -0.385 -0.317 609 HG11 VAL 82 1HG1 VAL 82 7.853 -1.336 0.854 610 HG12 VAL 82 2HG1 VAL 82 8.741 0.162 1.221 611 HG13 VAL 82 3HG1 VAL 82 7.456 0.169 -0.010 612 HG21 VAL 82 1HG2 VAL 82 10.440 -2.531 -1.086 613 HG22 VAL 82 2HG2 VAL 82 9.147 -2.774 0.114 614 HG23 VAL 82 3HG2 VAL 82 8.741 -2.608 -1.611 615 H ARG 83 H ARG 83 8.185 -1.701 -3.849 616 HA ARG 83 HA ARG 83 10.823 -2.203 -4.784 617 HB2 ARG 83 1HB ARG 83 9.774 -3.831 -6.257 618 HB3 ARG 83 2HB ARG 83 8.967 -3.941 -4.706 619 HG2 ARG 83 1HG ARG 83 7.000 -3.597 -5.779 620 HG3 ARG 83 2HG ARG 83 7.518 -1.953 -6.096 621 HD2 ARG 83 1HD ARG 83 8.061 -2.398 -8.300 622 HD3 ARG 83 2HD ARG 83 8.659 -4.006 -7.944 623 HE ARG 83 HE ARG 83 5.829 -3.986 -7.519 624 HH11 ARG 83 2HH2 ARG 83 8.162 -3.791 -10.146 625 HH12 ARG 83 1HH2 ARG 83 7.087 -4.472 -11.322 626 HH21 ARG 83 2HH1 ARG 83 4.411 -4.884 -9.069 627 HH22 ARG 83 1HH1 ARG 83 4.939 -5.098 -10.705 628 H PHE 84 H PHE 84 8.230 0.033 -5.449 629 HA PHE 84 HA PHE 84 9.378 0.644 -8.076 630 HB2 PHE 84 1HB PHE 84 6.690 0.794 -6.707 631 HB3 PHE 84 2HB PHE 84 7.045 2.121 -7.796 632 HD1 PHE 84 1HD PHE 84 8.570 0.706 -9.918 633 HD2 PHE 84 2HD PHE 84 5.053 -0.423 -7.830 634 HE1 PHE 84 1HE PHE 84 7.866 -0.707 -11.869 635 HE2 PHE 84 2HE PHE 84 4.348 -1.836 -9.782 636 HZ PHE 84 HZ PHE 84 5.763 -1.961 -11.778 637 H LEU 85 H LEU 85 9.603 1.549 -4.852 638 HA LEU 85 HA LEU 85 9.473 4.376 -5.155 639 HB2 LEU 85 1HB LEU 85 9.764 2.451 -3.054 640 HB3 LEU 85 2HB LEU 85 11.040 3.643 -2.909 641 HG LEU 85 HG LEU 85 8.258 4.644 -3.340 642 HD11 LEU 85 1HD1 LEU 85 8.032 4.576 -0.760 643 HD12 LEU 85 2HD1 LEU 85 7.645 3.117 -1.703 644 HD13 LEU 85 3HD1 LEU 85 9.205 3.240 -0.854 645 HD21 LEU 85 1HD2 LEU 85 9.132 6.586 -2.695 646 HD22 LEU 85 2HD2 LEU 85 9.867 5.864 -1.243 647 HD23 LEU 85 3HD2 LEU 85 10.726 5.801 -2.801 648 H SER 86 H SER 86 11.281 5.876 -5.066 649 HA SER 86 HA SER 86 13.689 4.647 -6.164 650 HB2 SER 86 1HB SER 86 12.132 7.077 -6.944 651 HB3 SER 86 2HB SER 86 13.875 7.250 -6.985 652 HG SER 86 HG SER 86 13.423 4.898 -8.139 653 H PHE 87 H PHE 87 12.237 7.047 -3.944 654 HA PHE 87 HA PHE 87 14.334 6.863 -2.125 655 HB2 PHE 87 1HB PHE 87 15.411 8.203 -4.058 656 HB3 PHE 87 2HB PHE 87 14.200 9.442 -3.798 657 HD1 PHE 87 1HD PHE 87 14.187 10.710 -1.639 658 HD2 PHE 87 2HD PHE 87 17.336 8.061 -2.675 659 HE1 PHE 87 1HE PHE 87 15.662 11.790 0.081 660 HE2 PHE 87 2HE PHE 87 18.811 9.141 -0.955 661 HZ PHE 87 HZ PHE 87 17.956 10.993 0.403 662 H MET 88 H MET 88 14.128 8.665 -0.377 663 HA MET 88 HA MET 88 11.800 10.221 -0.394 664 HB2 MET 88 1HB MET 88 10.437 8.990 1.213 665 HB3 MET 88 2HB MET 88 10.861 7.851 -0.050 666 HG2 MET 88 1HG MET 88 12.666 6.903 1.329 667 HG3 MET 88 2HG MET 88 12.435 8.135 2.554 668 HE1 MET 88 1HE MET 88 10.500 4.313 1.722 669 HE2 MET 88 2HE MET 88 9.405 5.440 0.885 670 HE3 MET 88 3HE MET 88 11.146 5.450 0.515 671 H GLY 89 H GLY 89 11.326 10.320 2.446 672 HA2 GLY 89 1HA GLY 89 13.190 10.310 4.288 673 HA3 GLY 89 2HA GLY 89 13.833 11.587 3.275 674 H VAL 90 H VAL 90 13.272 12.430 5.743 675 HA VAL 90 HA VAL 90 10.532 13.415 5.779 676 HB VAL 90 HB VAL 90 12.771 13.481 7.810 677 HG11 VAL 90 1HG1 VAL 90 10.669 15.258 7.671 678 HG12 VAL 90 2HG1 VAL 90 10.033 13.994 8.751 679 HG13 VAL 90 3HG1 VAL 90 11.559 14.820 9.149 680 HG21 VAL 90 1HG2 VAL 90 10.527 12.032 8.745 681 HG22 VAL 90 2HG2 VAL 90 10.840 11.467 7.086 682 HG23 VAL 90 3HG2 VAL 90 12.134 11.403 8.307 683 H GLY 91 H GLY 91 9.982 15.582 5.561 684 HA2 GLY 91 1HA GLY 91 11.792 17.228 4.122 685 HA3 GLY 91 2HA GLY 91 10.206 17.663 4.727 686 H LYS 92 H LYS 92 11.680 19.748 5.003 687 HA LYS 92 HA LYS 92 13.638 20.028 6.824 688 HB2 LYS 92 1HB LYS 92 11.336 21.806 6.050 689 HB3 LYS 92 2HB LYS 92 12.467 22.320 7.285 690 HG2 LYS 92 1HG LYS 92 13.577 21.225 4.697 691 HG3 LYS 92 2HG LYS 92 12.904 22.844 4.692 692 HD2 LYS 92 1HD LYS 92 14.481 23.638 6.309 693 HD3 LYS 92 2HD LYS 92 14.915 22.017 6.815 694 HE2 LYS 92 1HE LYS 92 15.903 21.607 4.521 695 HE3 LYS 92 2HE LYS 92 15.543 23.269 4.098 696 HZ1 LYS 92 1HZ LYS 92 17.416 22.300 6.123 697 HZ2 LYS 92 2HZ LYS 92 17.711 23.288 4.857 698 HZ3 LYS 92 3HZ LYS 92 16.874 23.840 6.146 699 H ASP 93 H ASP 93 10.089 20.194 7.599 700 HA ASP 93 HA ASP 93 10.680 20.145 10.369 701 HB2 ASP 93 1HB ASP 93 8.417 20.676 8.672 702 HB3 ASP 93 2HB ASP 93 7.935 19.412 9.786 703 H VAL 94 H VAL 94 10.011 18.361 11.852 704 HA VAL 94 HA VAL 94 10.506 15.792 10.691 705 HB VAL 94 HB VAL 94 10.414 15.018 12.989 706 HG11 VAL 94 1HG1 VAL 94 12.332 16.580 11.930 707 HG12 VAL 94 2HG1 VAL 94 11.888 17.582 13.333 708 HG13 VAL 94 3HG1 VAL 94 12.428 15.903 13.573 709 HG21 VAL 94 1HG2 VAL 94 8.856 17.455 13.373 710 HG22 VAL 94 2HG2 VAL 94 8.967 15.996 14.388 711 HG23 VAL 94 3HG2 VAL 94 10.166 17.300 14.569 712 H HIS 95 H HIS 95 7.791 17.786 10.887 713 HA HIS 95 HA HIS 95 5.990 15.504 11.168 714 HB2 HIS 95 1HB HIS 95 4.922 18.269 10.973 715 HB3 HIS 95 2HB HIS 95 4.389 16.920 11.957 716 HD1 HIS 95 1HD HIS 95 7.349 19.362 11.842 717 HD2 HIS 95 2HD HIS 95 5.077 17.155 14.592 718 HE1 HIS 95 1HE HIS 95 8.185 20.030 14.158 719 H THR 96 H THR 96 7.587 15.633 8.824 720 HA THR 96 HA THR 96 5.474 15.828 6.859 721 HB THR 96 HB THR 96 7.049 17.287 5.403 722 HG1 THR 96 1HG THR 96 8.042 17.835 8.104 723 HG21 THR 96 1HG2 THR 96 6.362 19.397 6.424 724 HG22 THR 96 2HG2 THR 96 5.028 18.243 6.661 725 HG23 THR 96 3HG2 THR 96 6.134 18.612 8.005 726 H PHE 97 H PHE 97 5.584 14.159 5.483 727 HA PHE 97 HA PHE 97 8.217 12.937 5.111 728 HB2 PHE 97 1HB PHE 97 6.936 11.629 6.797 729 HB3 PHE 97 2HB PHE 97 5.499 11.675 5.795 730 HD1 PHE 97 1HD PHE 97 9.064 10.743 5.145 731 HD2 PHE 97 2HD PHE 97 4.985 9.583 4.996 732 HE1 PHE 97 1HE PHE 97 9.723 8.559 4.099 733 HE2 PHE 97 2HE PHE 97 5.644 7.399 3.950 734 HZ PHE 97 HZ PHE 97 8.006 6.913 3.514 735 H ALA 98 H ALA 98 8.671 12.368 3.005 736 HA ALA 98 HA ALA 98 6.463 12.060 1.149 737 HB1 ALA 98 1HB ALA 98 7.311 13.748 -0.387 738 HB2 ALA 98 2HB ALA 98 7.001 14.507 1.192 739 HB3 ALA 98 3HB ALA 98 8.667 14.113 0.706 740 H PHE 99 H PHE 99 7.127 10.966 -0.829 741 HA PHE 99 HA PHE 99 9.871 10.022 -0.869 742 HB2 PHE 99 1HB PHE 99 9.044 7.658 -0.987 743 HB3 PHE 99 2HB PHE 99 8.527 8.397 0.516 744 HD1 PHE 99 1HD PHE 99 7.319 7.827 -2.967 745 HD2 PHE 99 2HD PHE 99 6.301 8.245 1.131 746 HE1 PHE 99 1HE PHE 99 4.936 7.244 -3.500 747 HE2 PHE 99 2HE PHE 99 3.918 7.662 0.599 748 HZ PHE 99 HZ PHE 99 3.264 7.169 -1.710 749 H ILE 100 H ILE 100 10.591 9.442 -2.954 750 HA ILE 100 HA ILE 100 8.816 10.324 -5.068 751 HB ILE 100 HB ILE 100 11.733 9.540 -5.104 752 HG12 ILE 100 1HG1 ILE 100 10.426 12.274 -4.986 753 HG13 ILE 100 2HG1 ILE 100 11.311 11.497 -3.688 754 HG21 ILE 100 1HG2 ILE 100 10.732 11.286 -7.230 755 HG22 ILE 100 2HG2 ILE 100 11.773 9.845 -7.315 756 HG23 ILE 100 3HG2 ILE 100 10.004 9.661 -7.246 757 HD11 ILE 100 1HD1 ILE 100 12.610 13.200 -5.137 758 HD12 ILE 100 2HD1 ILE 100 13.390 11.623 -4.864 759 HD13 ILE 100 3HD1 ILE 100 12.582 11.960 -6.414 760 H MET 101 H MET 101 7.701 8.985 -6.397 761 HA MET 101 HA MET 101 8.530 6.186 -6.355 762 HB2 MET 101 1HB MET 101 6.154 5.552 -6.380 763 HB3 MET 101 2HB MET 101 6.393 6.672 -5.054 764 HG2 MET 101 1HG MET 101 5.563 8.551 -6.468 765 HG3 MET 101 2HG MET 101 5.369 7.461 -7.826 766 HE1 MET 101 1HE MET 101 3.823 5.433 -7.873 767 HE2 MET 101 2HE MET 101 4.309 4.763 -6.297 768 HE3 MET 101 3HE MET 101 2.587 5.037 -6.656 769 H ASP 102 H ASP 102 7.695 4.930 -8.331 770 HA ASP 102 HA ASP 102 7.830 6.730 -10.618 771 HB2 ASP 102 1HB ASP 102 9.685 5.315 -10.843 772 HB3 ASP 102 2HB ASP 102 8.886 3.967 -10.059 773 H THR 103 H THR 103 6.095 6.643 -12.104 774 HA THR 103 HA THR 103 4.113 4.506 -11.662 775 HB THR 103 HB THR 103 2.460 6.355 -12.380 776 HG1 THR 103 1HG THR 103 3.618 8.114 -13.072 777 HG21 THR 103 1HG2 THR 103 3.901 7.441 -9.978 778 HG22 THR 103 2HG2 THR 103 2.171 7.081 -10.189 779 HG23 THR 103 3HG2 THR 103 3.320 5.763 -9.855 780 H GLY 104 H GLY 104 5.286 6.944 -14.080 781 HA2 GLY 104 1HA GLY 104 4.587 4.992 -16.181 782 HA3 GLY 104 2HA GLY 104 4.710 6.728 -16.384 783 H ASN 105 H ASN 105 6.255 6.529 -18.108 784 HA ASN 105 HA ASN 105 8.732 5.225 -17.436 785 HB2 ASN 105 1HB ASN 105 7.760 6.614 -19.987 786 HB3 ASN 105 2HB ASN 105 9.326 5.841 -19.842 787 HD21 ASN 105 1HD2 ASN 105 6.885 5.309 -21.489 788 HD22 ASN 105 2HD2 ASN 105 6.507 3.635 -21.260 789 H GLN 106 H GLN 106 10.651 6.392 -16.975 790 HA GLN 106 HA GLN 106 11.844 8.075 -16.270 791 HB2 GLN 106 1HB GLN 106 10.733 9.399 -18.784 792 HB3 GLN 106 2HB GLN 106 12.127 9.979 -17.894 793 HG2 GLN 106 1HG GLN 106 13.459 8.118 -18.487 794 HG3 GLN 106 2HG GLN 106 12.073 7.092 -18.798 795 HE21 GLN 106 1HE2 GLN 106 13.310 6.640 -20.761 796 HE22 GLN 106 2HE2 GLN 106 13.101 7.647 -22.154 797 H ARG 107 H ARG 107 8.900 7.962 -15.447 798 HA ARG 107 HA ARG 107 8.649 10.781 -14.763 799 HB2 ARG 107 1HB ARG 107 6.662 8.691 -15.552 800 HB3 ARG 107 2HB ARG 107 6.159 9.710 -14.217 801 HG2 ARG 107 1HG ARG 107 7.072 10.665 -16.971 802 HG3 ARG 107 2HG ARG 107 5.432 10.703 -16.353 803 HD2 ARG 107 1HD ARG 107 6.527 12.129 -14.377 804 HD3 ARG 107 2HD ARG 107 7.798 12.412 -15.550 805 HE ARG 107 HE ARG 107 5.025 13.403 -15.690 806 HH11 ARG 107 2HH2 ARG 107 8.036 12.865 -17.430 807 HH12 ARG 107 1HH2 ARG 107 7.679 14.026 -18.665 808 HH21 ARG 107 2HH1 ARG 107 4.553 14.934 -17.319 809 HH22 ARG 107 1HH1 ARG 107 5.684 15.211 -18.601 810 H PHE 108 H PHE 108 8.343 11.331 -12.548 811 HA PHE 108 HA PHE 108 8.144 9.104 -10.675 812 HB2 PHE 108 1HB PHE 108 10.094 11.462 -10.419 813 HB3 PHE 108 2HB PHE 108 10.063 10.022 -9.420 814 HD1 PHE 108 2HD PHE 108 10.180 7.772 -11.042 815 HD2 PHE 108 1HD PHE 108 11.903 11.570 -11.825 816 HE1 PHE 108 2HE PHE 108 11.877 6.693 -12.545 817 HE2 PHE 108 1HE PHE 108 13.599 10.491 -13.328 818 HZ PHE 108 HZ PHE 108 13.566 8.065 -13.670 819 H GLU 109 H GLU 109 6.855 9.549 -8.906 820 HA GLU 109 HA GLU 109 5.949 12.317 -8.736 821 HB2 GLU 109 1HB GLU 109 4.485 9.696 -8.266 822 HB3 GLU 109 2HB GLU 109 3.870 11.210 -7.634 823 HG2 GLU 109 1HG GLU 109 4.615 10.921 -10.570 824 HG3 GLU 109 2HG GLU 109 3.038 10.430 -9.984 825 H CYS 110 H CYS 110 5.496 13.170 -6.561 826 HA CYS 110 HA CYS 110 6.866 11.637 -4.475 827 HB2 CYS 110 1HB CYS 110 8.218 13.594 -5.382 828 HB3 CYS 110 2HB CYS 110 6.992 14.655 -4.717 829 HG CYS 110 HG CYS 110 8.645 12.281 -3.099 830 H HIS 111 H HIS 111 5.297 11.041 -3.017 831 HA HIS 111 HA HIS 111 2.952 12.738 -2.794 832 HB2 HIS 111 1HB HIS 111 3.551 9.932 -1.827 833 HB3 HIS 111 2HB HIS 111 2.067 10.789 -1.460 834 HD1 HIS 111 1HD HIS 111 0.220 10.706 -3.187 835 HD2 HIS 111 2HD HIS 111 3.915 9.425 -4.703 836 HE1 HIS 111 1HE HIS 111 -0.248 9.769 -5.514 837 H VAL 112 H VAL 112 2.960 14.322 -1.287 838 HA VAL 112 HA VAL 112 4.778 14.051 0.965 839 HB VAL 112 HB VAL 112 3.096 16.336 -0.080 840 HG11 VAL 112 1HG1 VAL 112 4.674 16.012 2.427 841 HG12 VAL 112 2HG1 VAL 112 4.846 17.554 1.555 842 HG13 VAL 112 3HG1 VAL 112 3.239 17.011 2.092 843 HG21 VAL 112 1HG2 VAL 112 6.106 15.939 -0.110 844 HG22 VAL 112 2HG2 VAL 112 5.025 15.669 -1.498 845 HG23 VAL 112 3HG2 VAL 112 5.199 17.301 -0.810 846 H PHE 113 H PHE 113 4.109 14.039 3.144 847 HA PHE 113 HA PHE 113 1.250 14.047 3.641 848 HB2 PHE 113 1HB PHE 113 3.215 11.786 4.352 849 HB3 PHE 113 2HB PHE 113 1.552 11.847 4.901 850 HD1 PHE 113 1HD PHE 113 -0.299 11.641 3.221 851 HD2 PHE 113 2HD PHE 113 3.763 10.966 2.195 852 HE1 PHE 113 1HE PHE 113 -1.024 10.414 1.155 853 HE2 PHE 113 2HE PHE 113 3.037 9.738 0.129 854 HZ PHE 113 HZ PHE 113 0.652 9.477 -0.366 855 H TRP 114 H TRP 114 0.788 14.008 6.056 856 HA TRP 114 HA TRP 114 3.044 15.240 7.490 857 HB2 TRP 114 1HB TRP 114 1.282 16.849 6.909 858 HB3 TRP 114 2HB TRP 114 0.094 15.859 7.734 859 HD1 TRP 114 HD TRP 114 0.925 15.420 10.545 860 HE1 TRP 114 1HE TRP 114 1.673 17.227 12.316 861 HE3 TRP 114 3HE TRP 114 2.232 18.971 7.148 862 HZ2 TRP 114 2HZ TRP 114 2.704 19.880 12.103 863 HZ3 TRP 114 3HZ TRP 114 3.101 21.141 8.014 864 HH2 TRP 114 HH TRP 114 3.345 21.623 10.397 865 H CYS 115 H CYS 115 3.729 14.040 9.213 866 HA CYS 115 HA CYS 115 1.771 12.196 10.376 867 HB2 CYS 115 1HB CYS 115 4.712 11.548 10.326 868 HB3 CYS 115 2HB CYS 115 3.345 10.474 10.550 869 HG CYS 115 HG CYS 115 4.274 12.146 7.847 870 H GLU 116 H GLU 116 1.802 12.087 12.684 871 HA GLU 116 HA GLU 116 3.656 13.966 13.926 872 HB2 GLU 116 1HB GLU 116 0.675 13.638 14.300 873 HB3 GLU 116 2HB GLU 116 1.647 14.198 15.647 874 HG2 GLU 116 1HG GLU 116 2.590 15.738 13.497 875 HG3 GLU 116 2HG GLU 116 0.871 15.620 13.178 876 HA PRO 117 HA PRO 117 3.916 14.520 15.890 877 HB2 PRO 117 1HB PRO 117 6.167 14.427 17.437 878 HB3 PRO 117 2HB PRO 117 4.548 14.507 18.104 879 HG2 PRO 117 1HG PRO 117 6.381 12.192 17.959 880 HG3 PRO 117 2HG PRO 117 4.969 12.412 18.973 881 HD2 PRO 117 1HD PRO 117 5.146 10.806 16.603 882 HD3 PRO 117 2HD PRO 117 3.706 11.120 17.552 883 H ASN 118 H ASN 118 6.475 12.171 15.324 884 HA ASN 118 HA ASN 118 7.468 14.059 13.335 885 HB2 ASN 118 1HB ASN 118 9.623 12.493 13.654 886 HB3 ASN 118 2HB ASN 118 9.317 13.820 14.757 887 HD21 ASN 118 1HD2 ASN 118 10.636 12.597 16.226 888 HD22 ASN 118 2HD2 ASN 118 9.948 11.337 17.195 889 H ALA 119 H ALA 119 8.229 13.056 11.279 890 HA ALA 119 HA ALA 119 6.726 10.656 10.665 891 HB1 ALA 119 1HB ALA 119 8.160 11.547 8.405 892 HB2 ALA 119 2HB ALA 119 6.445 11.843 8.775 893 HB3 ALA 119 3HB ALA 119 7.679 13.024 9.273 894 H ALA 120 H ALA 120 8.729 10.097 12.521 895 HA ALA 120 HA ALA 120 11.010 9.130 11.002 896 HB1 ALA 120 1HB ALA 120 12.113 9.312 12.967 897 HB2 ALA 120 2HB ALA 120 10.681 10.199 13.543 898 HB3 ALA 120 3HB ALA 120 10.835 8.455 13.861 899 H ASN 121 H ASN 121 8.419 7.859 13.210 900 HA ASN 121 HA ASN 121 9.074 5.221 12.944 901 HB2 ASN 121 1HB ASN 121 6.355 6.571 13.334 902 HB3 ASN 121 2HB ASN 121 6.579 4.840 13.483 903 HD21 ASN 121 1HD2 ASN 121 6.720 7.831 15.014 904 HD22 ASN 121 2HD2 ASN 121 7.490 7.378 16.498 905 H VAL 122 H VAL 122 6.721 7.278 11.079 906 HA VAL 122 HA VAL 122 5.794 5.294 9.375 907 HB VAL 122 HB VAL 122 6.041 8.288 9.175 908 HG11 VAL 122 1HG1 VAL 122 4.133 7.386 7.285 909 HG12 VAL 122 2HG1 VAL 122 5.668 8.233 6.978 910 HG13 VAL 122 3HG1 VAL 122 5.621 6.454 6.995 911 HG21 VAL 122 1HG2 VAL 122 4.266 8.117 10.535 912 HG22 VAL 122 2HG2 VAL 122 3.369 7.560 9.102 913 HG23 VAL 122 3HG2 VAL 122 4.084 6.375 10.220 914 H SER 123 H SER 123 8.173 7.910 8.519 915 HA SER 123 HA SER 123 8.977 6.941 6.173 916 HB2 SER 123 1HB SER 123 9.868 9.026 6.865 917 HB3 SER 123 2HB SER 123 10.488 8.376 8.369 918 HG SER 123 HG SER 123 11.910 8.771 6.227 919 H GLU 124 H GLU 124 10.030 5.851 9.439 920 HA GLU 124 HA GLU 124 12.046 4.163 8.491 921 HB2 GLU 124 1HB GLU 124 10.566 4.527 11.087 922 HB3 GLU 124 2HB GLU 124 11.502 3.060 10.880 923 HG2 GLU 124 1HG GLU 124 12.927 5.529 10.029 924 HG3 GLU 124 2HG GLU 124 12.527 5.492 11.735 925 H ALA 125 H ALA 125 8.664 3.504 9.657 926 HA ALA 125 HA ALA 125 8.644 0.793 9.228 927 HB1 ALA 125 1HB ALA 125 6.904 2.518 10.239 928 HB2 ALA 125 2HB ALA 125 6.220 2.461 8.596 929 HB3 ALA 125 3HB ALA 125 6.353 0.969 9.558 930 H VAL 126 H VAL 126 8.354 3.502 6.918 931 HA VAL 126 HA VAL 126 7.511 1.829 4.766 932 HB VAL 126 HB VAL 126 8.591 4.647 4.920 933 HG11 VAL 126 1HG1 VAL 126 7.057 3.841 2.526 934 HG12 VAL 126 2HG1 VAL 126 8.494 4.881 2.677 935 HG13 VAL 126 3HG1 VAL 126 8.674 3.111 2.664 936 HG21 VAL 126 1HG2 VAL 126 6.114 5.097 4.276 937 HG22 VAL 126 2HG2 VAL 126 5.828 3.441 4.864 938 HG23 VAL 126 3HG2 VAL 126 6.501 4.671 5.961 939 H GLN 127 H GLN 127 10.621 3.358 5.815 940 HA GLN 127 HA GLN 127 12.087 2.407 3.667 941 HB2 GLN 127 1HB GLN 127 12.932 3.154 6.499 942 HB3 GLN 127 2HB GLN 127 14.071 2.820 5.210 943 HG2 GLN 127 1HG GLN 127 12.064 4.698 4.252 944 HG3 GLN 127 2HG GLN 127 12.731 5.286 5.762 945 HE21 GLN 127 1HE2 GLN 127 14.255 6.695 5.398 946 HE22 GLN 127 2HE2 GLN 127 15.524 6.595 4.224 947 H ALA 128 H ALA 128 11.606 1.082 7.011 948 HA ALA 128 HA ALA 128 13.260 -1.092 6.842 949 HB1 ALA 128 1HB ALA 128 12.424 -1.145 8.930 950 HB2 ALA 128 2HB ALA 128 11.012 -0.172 8.451 951 HB3 ALA 128 3HB ALA 128 10.981 -1.941 8.257 952 H ALA 129 H ALA 129 10.197 -0.453 5.205 953 HA ALA 129 HA ALA 129 9.685 -3.188 4.565 954 HB1 ALA 129 1HB ALA 129 7.687 -2.288 4.078 955 HB2 ALA 129 2HB ALA 129 8.350 -0.673 4.425 956 HB3 ALA 129 3HB ALA 129 8.415 -1.325 2.770 957 H CYS 130 H CYS 130 11.244 -0.354 2.975 958 HA CYS 130 HA CYS 130 11.637 -1.734 0.533 959 HB2 CYS 130 1HB CYS 130 11.498 0.759 0.759 960 HB3 CYS 130 2HB CYS 130 13.061 0.746 1.550 961 HG CYS 130 HG CYS 130 13.311 1.492 -0.966 962 H SER 131 H SER 131 13.971 -0.509 3.056 963 HA SER 131 HA SER 131 15.794 -1.355 3.883 964 HB2 SER 131 1HB SER 131 14.394 -3.497 4.048 965 HB3 SER 131 2HB SER 131 15.152 -4.022 2.558 966 HG SER 131 HG SER 131 16.596 -3.289 4.962 967 H GLY 132 H GLY 132 17.513 -0.345 2.888 968 HA2 GLY 132 1HA GLY 132 18.409 -1.471 0.302 969 HA3 GLY 132 2HA GLY 132 18.377 0.251 0.628 970 HA PRO 133 HA PRO 133 22.428 -1.418 1.969 971 HB2 PRO 133 1HB PRO 133 24.038 -0.129 0.176 972 HB3 PRO 133 2HB PRO 133 23.476 -1.774 -0.050 973 HG2 PRO 133 1HG PRO 133 22.562 0.697 -1.390 974 HG3 PRO 133 2HG PRO 133 22.333 -0.968 -1.884 975 HD2 PRO 133 1HD PRO 133 20.381 0.745 -0.667 976 HD3 PRO 133 2HD PRO 133 20.189 -0.953 -1.055 977 H SER 134 H SER 134 23.682 -0.550 3.554 978 HA SER 134 HA SER 134 22.872 1.690 4.740 979 HB2 SER 134 1HB SER 134 25.142 -0.050 4.905 980 HB3 SER 134 2HB SER 134 25.758 1.589 4.981 981 HG SER 134 HG SER 134 25.231 1.344 7.067 982 H SER 135 H SER 135 25.686 1.501 2.431 983 HA SER 135 HA SER 135 25.217 4.335 1.918 984 HB2 SER 135 1HB SER 135 27.663 4.494 1.393 985 HB3 SER 135 2HB SER 135 27.347 4.069 3.063 986 HG SER 135 HG SER 135 29.034 2.753 2.064 987 H GLY 136 H GLY 136 24.622 4.796 -0.174 988 HA2 GLY 136 1HA GLY 136 25.533 4.278 -2.520 989 HA3 GLY 136 2HA GLY 136 24.957 2.660 -2.174
Contact the webmaster for help, if required. Saturday, May 4, 2024 3:29:03 PM GMT (wattos1)