NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
471252 | 2kzn | 17008 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -14.944 15.427 23.806 2 H2 MET 1 2H MET 1 -16.543 15.752 23.374 3 H3 MET 1 3H MET 1 -15.432 17.019 23.514 4 HA MET 1 HA MET 1 -15.898 16.460 21.209 5 HB2 MET 1 2HB MET 1 -13.705 17.430 21.865 6 HB3 MET 1 1HB MET 1 -13.064 15.819 22.150 7 HG2 MET 1 2HG MET 1 -13.240 15.286 19.783 8 HG3 MET 1 1HG MET 1 -14.004 16.843 19.453 9 HE1 MET 1 3HE MET 1 -12.280 18.820 21.331 10 HE2 MET 1 1HE MET 1 -12.723 19.208 19.670 11 HE3 MET 1 2HE MET 1 -11.043 19.350 20.194 12 H ALA 2 HN ALA 2 -16.835 14.839 20.151 13 HA ALA 2 HA ALA 2 -16.424 12.028 20.714 14 HB1 ALA 2 3HB ALA 2 -18.651 12.913 20.104 15 HB2 ALA 2 1HB ALA 2 -18.124 11.679 18.958 16 HB3 ALA 2 2HB ALA 2 -18.039 13.388 18.520 17 H TYR 3 HN TYR 3 -16.125 10.554 18.688 18 HA TYR 3 HA TYR 3 -14.349 11.529 16.613 19 HB2 TYR 3 2HB TYR 3 -12.780 11.220 18.498 20 HB3 TYR 3 1HB TYR 3 -13.338 9.568 18.718 21 HD1 TYR 3 HD1 TYR 3 -11.601 11.810 16.261 22 HD2 TYR 3 HD2 TYR 3 -12.277 7.785 17.539 23 HE1 TYR 3 HE1 TYR 3 -9.825 11.031 14.755 24 HE2 TYR 3 HE2 TYR 3 -10.495 7.009 16.036 25 HH TYR 3 HH TYR 3 -8.294 9.158 14.542 26 H ASN 4 HN ASN 4 -15.370 10.648 14.946 27 HA ASN 4 HA ASN 4 -16.254 7.815 15.003 28 HB2 ASN 4 2HB ASN 4 -17.217 10.165 13.316 29 HB3 ASN 4 1HB ASN 4 -17.701 8.499 13.014 30 HD21 ASN 4 1HD2 ASN 4 -18.988 7.420 14.571 31 HD22 ASN 4 2HD2 ASN 4 -19.928 8.297 15.721 32 H LYS 5 HN LYS 5 -16.295 6.941 12.606 33 HA LYS 5 HA LYS 5 -13.557 6.601 11.834 34 HB2 LYS 5 2HB LYS 5 -14.430 5.057 10.123 35 HB3 LYS 5 1HB LYS 5 -15.202 4.762 11.678 36 HG2 LYS 5 2HG LYS 5 -17.165 6.134 10.879 37 HG3 LYS 5 1HG LYS 5 -16.397 6.201 9.293 38 HD2 LYS 5 2HD LYS 5 -16.514 3.725 9.140 39 HD3 LYS 5 1HD LYS 5 -17.290 3.666 10.727 40 HE2 LYS 5 2HE LYS 5 -19.162 5.066 9.801 41 HE3 LYS 5 1HE LYS 5 -18.401 4.960 8.215 42 HZ1 LYS 5 3HZ LYS 5 -18.672 2.571 8.286 43 HZ2 LYS 5 1HZ LYS 5 -20.157 3.348 8.465 44 HZ3 LYS 5 2HZ LYS 5 -19.394 2.669 9.809 45 H GLU 6 HN GLU 6 -16.153 8.655 10.725 46 HA GLU 6 HA GLU 6 -15.115 9.516 8.238 47 HB2 GLU 6 2HB GLU 6 -17.430 9.975 8.898 48 HB3 GLU 6 1HB GLU 6 -16.906 10.936 10.271 49 HG2 GLU 6 2HG GLU 6 -16.197 11.776 7.457 50 HG3 GLU 6 1HG GLU 6 -17.809 12.089 8.086 51 H GLU 7 HN GLU 7 -14.877 10.955 11.487 52 HA GLU 7 HA GLU 7 -13.016 13.005 10.837 53 HB2 GLU 7 2HB GLU 7 -13.595 11.810 13.578 54 HB3 GLU 7 1HB GLU 7 -12.925 13.407 13.243 55 HG2 GLU 7 2HG GLU 7 -15.063 14.033 12.122 56 HG3 GLU 7 1HG GLU 7 -15.723 12.456 12.563 57 H LYS 8 HN LYS 8 -12.688 9.693 11.752 58 HA LYS 8 HA LYS 8 -9.967 9.559 12.481 59 HB2 LYS 8 2HB LYS 8 -11.403 7.618 12.827 60 HB3 LYS 8 1HB LYS 8 -11.750 7.509 11.104 61 HG2 LYS 8 2HG LYS 8 -9.345 6.957 10.693 62 HG3 LYS 8 1HG LYS 8 -9.072 6.971 12.438 63 HD2 LYS 8 2HD LYS 8 -10.963 5.104 10.953 64 HD3 LYS 8 1HD LYS 8 -9.351 4.680 11.534 65 HE2 LYS 8 2HE LYS 8 -10.170 5.219 13.889 66 HE3 LYS 8 1HE LYS 8 -11.792 5.373 13.206 67 HZ1 LYS 8 3HZ LYS 8 -11.365 3.179 14.149 68 HZ2 LYS 8 1HZ LYS 8 -10.106 2.939 13.043 69 HZ3 LYS 8 2HZ LYS 8 -11.695 3.100 12.492 70 H ILE 9 HN ILE 9 -11.555 9.030 9.346 71 HA ILE 9 HA ILE 9 -9.151 8.754 7.857 72 HB ILE 9 HB ILE 9 -12.016 9.216 6.924 73 HG12 ILE 9 2HG1 ILE 9 -11.802 7.109 8.123 74 HG13 ILE 9 1HG1 ILE 9 -11.946 6.743 6.409 75 HG21 ILE 9 1HG2 ILE 9 -10.501 9.918 5.128 76 HG22 ILE 9 2HG2 ILE 9 -11.317 8.415 4.698 77 HG23 ILE 9 3HG2 ILE 9 -9.636 8.381 5.231 78 HD11 ILE 9 3HD1 ILE 9 -9.450 6.670 8.091 79 HD12 ILE 9 1HD1 ILE 9 -9.467 6.461 6.337 80 HD13 ILE 9 2HD1 ILE 9 -10.311 5.312 7.374 81 H LYS 10 HN LYS 10 -11.320 11.516 8.477 82 HA LYS 10 HA LYS 10 -10.278 13.350 6.672 83 HB2 LYS 10 2HB LYS 10 -12.376 13.638 7.920 84 HB3 LYS 10 1HB LYS 10 -11.485 13.767 9.430 85 HG2 LYS 10 2HG LYS 10 -10.562 15.916 8.777 86 HG3 LYS 10 1HG LYS 10 -11.242 15.756 7.153 87 HD2 LYS 10 2HD LYS 10 -12.613 17.268 8.533 88 HD3 LYS 10 1HD LYS 10 -13.518 15.824 8.065 89 HE2 LYS 10 2HE LYS 10 -12.837 14.878 10.384 90 HE3 LYS 10 1HE LYS 10 -12.372 16.533 10.788 91 HZ1 LYS 10 3HZ LYS 10 -14.571 16.166 11.524 92 HZ2 LYS 10 1HZ LYS 10 -15.063 15.540 10.028 93 HZ3 LYS 10 2HZ LYS 10 -14.679 17.183 10.178 94 H SER 11 HN SER 11 -9.355 12.839 10.100 95 HA SER 11 HA SER 11 -7.234 14.747 10.143 96 HB2 SER 11 2HB SER 11 -7.715 12.344 11.960 97 HB3 SER 11 1HB SER 11 -6.648 13.705 12.315 98 HG SER 11 HG SER 11 -9.354 13.490 12.571 99 H LEU 12 HN LEU 12 -7.332 11.204 9.801 100 HA LEU 12 HA LEU 12 -4.727 10.473 9.481 101 HB2 LEU 12 2HB LEU 12 -6.509 8.853 9.522 102 HB3 LEU 12 1HB LEU 12 -7.258 9.560 8.101 103 HG LEU 12 HG LEU 12 -5.068 8.813 6.868 104 HD11 LEU 12 1HD1 LEU 12 -4.916 6.935 9.221 105 HD12 LEU 12 2HD1 LEU 12 -3.740 8.180 8.777 106 HD13 LEU 12 3HD1 LEU 12 -4.008 6.802 7.712 107 HD21 LEU 12 3HD2 LEU 12 -6.065 6.674 6.290 108 HD22 LEU 12 1HD2 LEU 12 -7.272 7.959 6.356 109 HD23 LEU 12 2HD2 LEU 12 -7.157 6.790 7.675 110 H ASN 13 HN ASN 13 -6.873 11.723 6.898 111 HA ASN 13 HA ASN 13 -5.103 11.121 4.747 112 HB2 ASN 13 2HB ASN 13 -7.656 12.720 4.919 113 HB3 ASN 13 1HB ASN 13 -6.705 12.743 3.439 114 HD21 ASN 13 1HD2 ASN 13 -7.174 9.916 5.607 115 HD22 ASN 13 2HD2 ASN 13 -8.019 8.987 4.428 116 H ARG 14 HN ARG 14 -5.326 13.874 6.847 117 HA ARG 14 HA ARG 14 -3.713 15.714 5.483 118 HB2 ARG 14 2HB ARG 14 -3.736 15.045 8.457 119 HB3 ARG 14 1HB ARG 14 -3.063 16.515 7.751 120 HG2 ARG 14 2HG ARG 14 -5.286 17.246 7.059 121 HG3 ARG 14 1HG ARG 14 -5.998 15.725 7.614 122 HD2 ARG 14 2HD ARG 14 -6.352 17.587 9.226 123 HD3 ARG 14 1HD ARG 14 -5.421 16.261 9.932 124 HE ARG 14 HE ARG 14 -3.753 18.299 8.794 125 HH11 ARG 14 1HH1 ARG 14 -5.567 17.517 11.711 126 HH12 ARG 14 2HH1 ARG 14 -4.565 18.497 12.725 127 HH21 ARG 14 1HH2 ARG 14 -2.464 19.559 10.113 128 HH22 ARG 14 2HH2 ARG 14 -2.798 19.674 11.812 129 H MET 15 HN MET 15 -2.770 13.011 7.643 130 HA MET 15 HA MET 15 0.056 13.369 7.336 131 HB2 MET 15 2HB MET 15 -0.876 12.375 9.373 132 HB3 MET 15 1HB MET 15 -1.531 11.027 8.460 133 HG2 MET 15 2HG MET 15 0.677 10.167 8.008 134 HG3 MET 15 1HG MET 15 1.436 11.612 8.674 135 HE1 MET 15 3HE MET 15 1.618 12.152 11.258 136 HE2 MET 15 1HE MET 15 0.783 11.238 12.513 137 HE3 MET 15 2HE MET 15 -0.145 12.193 11.355 138 H GLN 16 HN GLN 16 -2.277 11.077 5.912 139 HA GLN 16 HA GLN 16 -0.612 9.536 4.294 140 HB2 GLN 16 2HB GLN 16 -3.363 10.561 3.476 141 HB3 GLN 16 1HB GLN 16 -2.577 9.091 2.907 142 HG2 GLN 16 2HG GLN 16 -3.432 9.562 5.768 143 HG3 GLN 16 1HG GLN 16 -4.436 8.767 4.562 144 HE21 GLN 16 1HE2 GLN 16 -3.998 6.623 4.036 145 HE22 GLN 16 2HE2 GLN 16 -2.865 5.670 4.899 146 H TYR 17 HN TYR 17 -2.027 12.666 3.775 147 HA TYR 17 HA TYR 17 -1.091 13.175 1.112 148 HB2 TYR 17 2HB TYR 17 -2.943 14.505 1.994 149 HB3 TYR 17 1HB TYR 17 -1.928 15.141 3.281 150 HD1 TYR 17 HD1 TYR 17 -2.104 15.012 -0.476 151 HD2 TYR 17 HD2 TYR 17 -0.893 17.272 2.947 152 HE1 TYR 17 HE1 TYR 17 -1.469 16.879 -1.938 153 HE2 TYR 17 HE2 TYR 17 -0.263 19.145 1.482 154 HH TYR 17 HH TYR 17 -1.115 19.287 -1.835 155 H GLU 18 HN GLU 18 0.202 14.057 4.338 156 HA GLU 18 HA GLU 18 2.496 15.472 3.623 157 HB2 GLU 18 2HB GLU 18 2.069 13.588 5.987 158 HB3 GLU 18 1HB GLU 18 3.482 14.628 5.824 159 HG2 GLU 18 2HG GLU 18 2.087 16.613 5.944 160 HG3 GLU 18 1HG GLU 18 0.627 15.626 5.976 161 H VAL 19 HN VAL 19 1.930 11.988 3.545 162 HA VAL 19 HA VAL 19 4.702 11.279 3.097 163 HB VAL 19 HB VAL 19 2.252 9.509 2.663 164 HG11 VAL 19 1HG1 VAL 19 3.886 7.657 3.061 165 HG12 VAL 19 2HG1 VAL 19 5.189 8.847 3.117 166 HG13 VAL 19 3HG1 VAL 19 4.280 8.609 1.618 167 HG21 VAL 19 3HG2 VAL 19 2.613 8.633 4.937 168 HG22 VAL 19 1HG2 VAL 19 2.245 10.361 4.982 169 HG23 VAL 19 2HG2 VAL 19 3.906 9.806 5.205 170 H THR 20 HN THR 20 1.725 11.229 1.127 171 HA THR 20 HA THR 20 2.767 10.485 -1.340 172 HB THR 20 HB THR 20 0.447 12.435 -0.937 173 HG1 THR 20 HG1 THR 20 0.746 9.783 -0.275 174 HG21 THR 20 3HG2 THR 20 -0.468 11.468 -3.008 175 HG22 THR 20 1HG2 THR 20 0.938 10.395 -3.158 176 HG23 THR 20 2HG2 THR 20 1.127 12.142 -3.323 177 H GLN 21 HN GLN 21 2.633 13.696 0.126 178 HA GLN 21 HA GLN 21 3.209 15.107 -2.337 179 HB2 GLN 21 2HB GLN 21 1.699 16.089 -0.665 180 HB3 GLN 21 1HB GLN 21 2.986 16.107 0.533 181 HG2 GLN 21 2HG GLN 21 2.641 18.338 -0.368 182 HG3 GLN 21 1HG GLN 21 4.234 17.744 -0.823 183 HE21 GLN 21 1HE2 GLN 21 1.149 16.882 -2.397 184 HE22 GLN 21 2HE2 GLN 21 1.517 17.638 -3.908 185 H ASN 22 HN ASN 22 4.972 14.488 0.739 186 HA ASN 22 HA ASN 22 7.385 15.778 -0.434 187 HB2 ASN 22 2HB ASN 22 6.301 16.822 1.629 188 HB3 ASN 22 1HB ASN 22 6.762 15.388 2.533 189 HD21 ASN 22 1HD2 ASN 22 8.135 16.492 3.923 190 HD22 ASN 22 2HD2 ASN 22 9.617 17.237 3.429 191 H ASN 23 HN ASN 23 6.234 12.735 0.022 192 HA ASN 23 HA ASN 23 7.042 10.645 0.380 193 HB2 ASN 23 2HB ASN 23 9.793 11.943 0.054 194 HB3 ASN 23 1HB ASN 23 9.537 10.205 0.210 195 HD21 ASN 23 1HD2 ASN 23 9.034 13.006 -1.837 196 HD22 ASN 23 2HD2 ASN 23 8.734 12.132 -3.290 197 H GLY 24 HN GLY 24 6.349 12.363 2.506 198 HA2 GLY 24 2HA GLY 24 8.191 12.500 4.623 199 HA3 GLY 24 1HA GLY 24 6.449 12.662 4.761 200 H THR 25 HN THR 25 8.815 11.113 6.074 201 HA THR 25 HA THR 25 7.732 8.398 6.174 202 HB THR 25 HB THR 25 10.199 8.699 6.106 203 HG1 THR 25 HG1 THR 25 8.942 7.376 8.234 204 HG21 THR 25 3HG2 THR 25 10.420 10.805 7.373 205 HG22 THR 25 1HG2 THR 25 11.450 9.544 8.057 206 HG23 THR 25 2HG2 THR 25 9.933 9.973 8.853 207 H GLU 26 HN GLU 26 6.351 7.701 7.800 208 HA GLU 26 HA GLU 26 5.394 9.243 9.909 209 HB2 GLU 26 2HB GLU 26 4.528 7.137 10.848 210 HB3 GLU 26 1HB GLU 26 4.291 7.159 9.111 211 HG2 GLU 26 2HG GLU 26 6.470 5.620 10.562 212 HG3 GLU 26 1HG GLU 26 4.965 4.926 9.978 213 HA PRO 27 HA PRO 27 8.816 9.071 12.909 214 HB2 PRO 27 2HB PRO 27 6.754 9.323 15.059 215 HB3 PRO 27 1HB PRO 27 8.065 10.430 14.634 216 HG2 PRO 27 2HG PRO 27 5.504 11.057 14.109 217 HG3 PRO 27 1HG PRO 27 6.806 11.508 12.983 218 HD2 PRO 27 2HD PRO 27 4.895 9.159 12.828 219 HD3 PRO 27 1HD PRO 27 5.355 10.319 11.557 220 HA PRO 28 HA PRO 28 9.140 4.855 14.592 221 HB2 PRO 28 2HB PRO 28 9.641 6.139 17.291 222 HB3 PRO 28 1HB PRO 28 10.527 4.837 16.480 223 HG2 PRO 28 2HG PRO 28 11.527 7.297 16.468 224 HG3 PRO 28 1HG PRO 28 11.601 6.310 14.992 225 HD2 PRO 28 2HD PRO 28 9.754 8.599 15.653 226 HD3 PRO 28 1HD PRO 28 10.515 8.169 14.103 227 H PHE 29 HN PHE 29 7.061 4.126 14.407 228 HA PHE 29 HA PHE 29 5.416 3.882 16.791 229 HB2 PHE 29 2HB PHE 29 4.366 5.074 14.167 230 HB3 PHE 29 1HB PHE 29 3.311 4.358 15.381 231 HD1 PHE 29 HD1 PHE 29 3.747 5.359 17.865 232 HD2 PHE 29 HD2 PHE 29 4.525 7.419 14.201 233 HE1 PHE 29 HE1 PHE 29 3.568 7.507 19.031 234 HE2 PHE 29 HE2 PHE 29 4.346 9.570 15.390 235 HZ PHE 29 HZ PHE 29 3.883 9.610 17.803 236 H GLN 30 HN GLN 30 5.684 3.354 13.298 237 HA GLN 30 HA GLN 30 4.298 1.075 12.820 238 HB2 GLN 30 2HB GLN 30 5.882 0.681 10.879 239 HB3 GLN 30 1HB GLN 30 5.150 2.277 10.957 240 HG2 GLN 30 2HG GLN 30 7.169 3.316 11.598 241 HG3 GLN 30 1HG GLN 30 7.913 1.792 12.075 242 HE21 GLN 30 1HE2 GLN 30 8.865 3.855 10.225 243 HE22 GLN 30 2HE2 GLN 30 9.154 3.054 8.722 244 H ASN 31 HN ASN 31 4.497 -0.118 14.628 245 HA ASN 31 HA ASN 31 6.558 -2.222 14.550 246 HB2 ASN 31 2HB ASN 31 5.510 -0.769 17.016 247 HB3 ASN 31 1HB ASN 31 6.309 -2.336 17.126 248 HD21 ASN 31 1HD2 ASN 31 7.099 0.254 18.227 249 HD22 ASN 31 2HD2 ASN 31 8.688 0.570 17.623 250 H GLU 32 HN GLU 32 5.479 -3.806 16.564 251 HA GLU 32 HA GLU 32 3.873 -5.539 15.167 252 HB2 GLU 32 2HB GLU 32 3.839 -5.362 18.208 253 HB3 GLU 32 1HB GLU 32 3.657 -6.800 17.214 254 HG2 GLU 32 2HG GLU 32 6.200 -5.212 17.712 255 HG3 GLU 32 1HG GLU 32 5.812 -6.823 18.305 256 H TYR 33 HN TYR 33 2.806 -2.712 16.881 257 HA TYR 33 HA TYR 33 0.072 -3.482 17.262 258 HB2 TYR 33 2HB TYR 33 1.149 -1.781 18.661 259 HB3 TYR 33 1HB TYR 33 1.414 -0.750 17.261 260 HD1 TYR 33 HD1 TYR 33 -1.444 -2.478 19.032 261 HD2 TYR 33 HD2 TYR 33 -0.129 1.002 16.938 262 HE1 TYR 33 HE1 TYR 33 -3.619 -1.408 19.435 263 HE2 TYR 33 HE2 TYR 33 -2.298 2.078 17.347 264 HH TYR 33 HH TYR 33 -4.571 0.883 19.563 265 H TRP 34 HN TRP 34 1.791 -1.532 14.786 266 HA TRP 34 HA TRP 34 -0.749 -0.708 13.568 267 HB2 TRP 34 2HB TRP 34 2.112 0.007 12.794 268 HB3 TRP 34 1HB TRP 34 0.650 0.752 12.152 269 HD1 TRP 34 HD1 TRP 34 2.932 0.805 15.171 270 HE1 TRP 34 HE1 TRP 34 2.319 2.786 16.677 271 HE3 TRP 34 HE3 TRP 34 -1.440 2.194 12.937 272 HZ2 TRP 34 HZ2 TRP 34 0.241 4.675 16.925 273 HZ3 TRP 34 HZ3 TRP 34 -2.700 4.089 13.876 274 HH2 TRP 34 HH2 TRP 34 -1.877 5.310 15.836 275 H ASP 35 HN ASP 35 2.032 -2.732 12.769 276 HA ASP 35 HA ASP 35 0.699 -3.633 10.276 277 HB2 ASP 35 2HB ASP 35 2.947 -3.832 9.243 278 HB3 ASP 35 1HB ASP 35 2.590 -2.177 9.705 279 H HIS 36 HN HIS 36 0.190 -4.868 12.654 280 HA HIS 36 HA HIS 36 1.874 -6.857 13.599 281 HB2 HIS 36 2HB HIS 36 -0.323 -6.064 14.624 282 HB3 HIS 36 1HB HIS 36 -1.158 -7.111 13.482 283 HD1 HIS 36 HD1 HIS 36 -1.932 -9.076 14.725 284 HD2 HIS 36 HD2 HIS 36 1.837 -7.928 15.982 285 HE1 HIS 36 HE1 HIS 36 -1.267 -10.780 16.445 286 HE2 HIS 36 HE2 HIS 36 1.106 -10.179 17.021 287 H LYS 37 HN LYS 37 2.420 -8.864 12.991 288 HA LYS 37 HA LYS 37 2.306 -9.443 10.196 289 HB2 LYS 37 2HB LYS 37 3.631 -10.880 12.531 290 HB3 LYS 37 1HB LYS 37 3.881 -11.310 10.845 291 HG2 LYS 37 2HG LYS 37 4.942 -9.180 10.389 292 HG3 LYS 37 1HG LYS 37 4.549 -8.590 12.005 293 HD2 LYS 37 2HD LYS 37 6.920 -9.266 11.840 294 HD3 LYS 37 1HD LYS 37 6.055 -10.257 13.018 295 HE2 LYS 37 2HE LYS 37 7.605 -11.587 11.590 296 HE3 LYS 37 1HE LYS 37 5.929 -12.102 11.411 297 HZ1 LYS 37 3HZ LYS 37 7.231 -11.888 9.319 298 HZ2 LYS 37 1HZ LYS 37 7.249 -10.217 9.551 299 HZ3 LYS 37 2HZ LYS 37 5.779 -11.029 9.334 300 H GLU 38 HN GLU 38 -0.049 -10.189 12.361 301 HA GLU 38 HA GLU 38 -0.511 -12.958 11.853 302 HB2 GLU 38 2HB GLU 38 -2.682 -12.657 12.881 303 HB3 GLU 38 1HB GLU 38 -1.485 -11.770 13.812 304 HG2 GLU 38 2HG GLU 38 -2.265 -9.655 12.791 305 HG3 GLU 38 1HG GLU 38 -3.466 -10.555 11.861 306 H GLU 39 HN GLU 39 -1.709 -13.940 10.302 307 HA GLU 39 HA GLU 39 -1.682 -13.061 7.739 308 HB2 GLU 39 2HB GLU 39 -3.174 -14.936 7.157 309 HB3 GLU 39 1HB GLU 39 -1.936 -15.407 8.315 310 HG2 GLU 39 2HG GLU 39 -3.627 -15.209 10.140 311 HG3 GLU 39 1HG GLU 39 -4.854 -14.851 8.925 312 H GLY 40 HN GLY 40 -2.945 -12.034 6.305 313 HA2 GLY 40 2HA GLY 40 -5.548 -11.304 6.209 314 HA3 GLY 40 1HA GLY 40 -4.866 -10.146 7.353 315 H LEU 41 HN LEU 41 -4.806 -8.267 6.164 316 HA LEU 41 HA LEU 41 -3.189 -8.211 3.687 317 HB2 LEU 41 2HB LEU 41 -5.932 -6.971 4.101 318 HB3 LEU 41 1HB LEU 41 -4.859 -6.495 2.791 319 HG LEU 41 HG LEU 41 -5.870 -9.344 3.139 320 HD11 LEU 41 1HD1 LEU 41 -7.503 -8.875 1.398 321 HD12 LEU 41 2HD1 LEU 41 -7.010 -7.177 1.365 322 HD13 LEU 41 3HD1 LEU 41 -7.772 -7.853 2.808 323 HD21 LEU 41 3HD2 LEU 41 -4.592 -7.945 0.761 324 HD22 LEU 41 1HD2 LEU 41 -5.197 -9.605 0.788 325 HD23 LEU 41 2HD2 LEU 41 -3.825 -9.153 1.795 326 H TYR 42 HN TYR 42 -2.544 -6.013 3.091 327 HA TYR 42 HA TYR 42 -2.473 -4.020 5.277 328 HB2 TYR 42 2HB TYR 42 -0.220 -4.739 3.349 329 HB3 TYR 42 1HB TYR 42 -0.211 -3.305 4.385 330 HD1 TYR 42 HD1 TYR 42 -0.056 -3.528 6.838 331 HD2 TYR 42 HD2 TYR 42 0.158 -6.960 4.306 332 HE1 TYR 42 HE1 TYR 42 0.746 -4.873 8.725 333 HE2 TYR 42 HE2 TYR 42 0.968 -8.294 6.195 334 HH TYR 42 HH TYR 42 0.784 -7.298 9.390 335 H VAL 43 HN VAL 43 -3.524 -2.269 4.694 336 HA VAL 43 HA VAL 43 -4.160 -1.830 1.835 337 HB VAL 43 HB VAL 43 -6.518 -1.500 2.391 338 HG11 VAL 43 1HG1 VAL 43 -5.781 -3.843 1.943 339 HG12 VAL 43 2HG1 VAL 43 -7.193 -3.780 2.997 340 HG13 VAL 43 3HG1 VAL 43 -5.595 -4.111 3.677 341 HG21 VAL 43 3HG2 VAL 43 -5.737 -2.046 5.295 342 HG22 VAL 43 1HG2 VAL 43 -7.400 -1.920 4.703 343 HG23 VAL 43 2HG2 VAL 43 -6.333 -0.519 4.629 344 H ASP 44 HN ASP 44 -4.713 0.329 1.291 345 HA ASP 44 HA ASP 44 -3.505 2.403 2.857 346 HB2 ASP 44 2HB ASP 44 -3.618 2.339 0.265 347 HB3 ASP 44 1HB ASP 44 -5.289 2.849 0.421 348 H ILE 45 HN ILE 45 -4.483 3.174 4.584 349 HA ILE 45 HA ILE 45 -6.929 2.344 5.554 350 HB ILE 45 HB ILE 45 -5.627 4.941 6.475 351 HG12 ILE 45 2HG1 ILE 45 -4.818 2.144 7.398 352 HG13 ILE 45 1HG1 ILE 45 -3.897 3.115 6.262 353 HG21 ILE 45 1HG2 ILE 45 -6.497 4.327 8.708 354 HG22 ILE 45 2HG2 ILE 45 -7.228 2.864 8.037 355 HG23 ILE 45 3HG2 ILE 45 -7.794 4.454 7.522 356 HD11 ILE 45 3HD1 ILE 45 -2.936 3.239 8.469 357 HD12 ILE 45 1HD1 ILE 45 -4.461 3.812 9.137 358 HD13 ILE 45 2HD1 ILE 45 -3.561 4.821 7.999 359 H VAL 46 HN VAL 46 -6.260 5.117 3.543 360 HA VAL 46 HA VAL 46 -8.416 6.837 4.021 361 HB VAL 46 HB VAL 46 -7.997 7.737 1.745 362 HG11 VAL 46 1HG1 VAL 46 -6.433 8.339 3.593 363 HG12 VAL 46 2HG1 VAL 46 -5.637 8.348 2.021 364 HG13 VAL 46 3HG1 VAL 46 -5.394 6.995 3.124 365 HG21 VAL 46 3HG2 VAL 46 -7.719 5.653 0.465 366 HG22 VAL 46 1HG2 VAL 46 -6.227 5.263 1.335 367 HG23 VAL 46 2HG2 VAL 46 -6.290 6.658 0.246 368 H SER 47 HN SER 47 -8.394 3.796 2.398 369 HA SER 47 HA SER 47 -11.164 4.081 1.392 370 HB2 SER 47 2HB SER 47 -10.392 2.881 -0.661 371 HB3 SER 47 1HB SER 47 -9.570 4.431 -0.451 372 HG SER 47 HG SER 47 -7.852 3.205 -0.688 373 H GLY 48 HN GLY 48 -8.637 2.091 2.727 374 HA2 GLY 48 2HA GLY 48 -8.568 0.009 3.662 375 HA3 GLY 48 1HA GLY 48 -10.319 -0.055 3.551 376 H LYS 49 HN LYS 49 -7.996 0.384 0.891 377 HA LYS 49 HA LYS 49 -9.217 -1.923 -0.486 378 HB2 LYS 49 2HB LYS 49 -7.669 0.453 -1.574 379 HB3 LYS 49 1HB LYS 49 -8.133 -0.929 -2.562 380 HG2 LYS 49 2HG LYS 49 -10.011 1.015 -1.172 381 HG3 LYS 49 1HG LYS 49 -9.707 0.891 -2.907 382 HD2 LYS 49 2HD LYS 49 -11.032 -1.232 -1.163 383 HD3 LYS 49 1HD LYS 49 -11.869 -0.156 -2.281 384 HE2 LYS 49 2HE LYS 49 -10.674 -1.215 -4.179 385 HE3 LYS 49 1HE LYS 49 -9.829 -2.278 -3.055 386 HZ1 LYS 49 3HZ LYS 49 -11.950 -3.233 -2.421 387 HZ2 LYS 49 1HZ LYS 49 -11.698 -3.372 -4.087 388 HZ3 LYS 49 2HZ LYS 49 -12.761 -2.201 -3.493 389 HA PRO 50 HA PRO 50 -5.653 -4.422 0.411 390 HB2 PRO 50 2HB PRO 50 -6.448 -6.013 -2.006 391 HB3 PRO 50 1HB PRO 50 -6.268 -6.532 -0.322 392 HG2 PRO 50 2HG PRO 50 -8.699 -6.240 -1.367 393 HG3 PRO 50 1HG PRO 50 -8.379 -5.700 0.297 394 HD2 PRO 50 2HD PRO 50 -8.520 -4.047 -2.234 395 HD3 PRO 50 1HD PRO 50 -9.274 -3.750 -0.647 396 H LEU 51 HN LEU 51 -3.602 -3.943 0.008 397 HA LEU 51 HA LEU 51 -2.708 -3.150 -2.695 398 HB2 LEU 51 2HB LEU 51 -1.372 -2.645 -0.002 399 HB3 LEU 51 1HB LEU 51 -0.912 -1.943 -1.555 400 HG LEU 51 HG LEU 51 -3.432 -1.374 0.050 401 HD11 LEU 51 1HD1 LEU 51 -2.598 0.916 0.159 402 HD12 LEU 51 2HD1 LEU 51 -1.141 0.448 -0.726 403 HD13 LEU 51 3HD1 LEU 51 -1.461 -0.224 0.875 404 HD21 LEU 51 3HD2 LEU 51 -4.069 -1.481 -2.304 405 HD22 LEU 51 1HD2 LEU 51 -2.754 -0.381 -2.745 406 HD23 LEU 51 2HD2 LEU 51 -4.096 0.192 -1.750 407 H PHE 52 HN PHE 52 -1.699 -5.013 0.152 408 HA PHE 52 HA PHE 52 -0.763 -7.178 -1.492 409 HB2 PHE 52 2HB PHE 52 1.544 -7.325 -0.670 410 HB3 PHE 52 1HB PHE 52 1.294 -5.817 -1.527 411 HD1 PHE 52 HD2 PHE 52 0.938 -3.675 -0.120 412 HD2 PHE 52 HD1 PHE 52 2.464 -7.320 1.528 413 HE1 PHE 52 HE2 PHE 52 1.929 -2.419 1.747 414 HE2 PHE 52 HE1 PHE 52 3.455 -6.055 3.389 415 HZ PHE 52 HZ PHE 52 3.191 -3.608 3.500 416 H THR 53 HN THR 53 -0.075 -9.045 -0.193 417 HA THR 53 HA THR 53 -2.059 -9.404 1.916 418 HB THR 53 HB THR 53 -1.573 -11.840 1.603 419 HG1 THR 53 HG1 THR 53 0.663 -10.875 0.429 420 HG21 THR 53 3HG2 THR 53 -2.395 -12.068 -0.711 421 HG22 THR 53 1HG2 THR 53 -2.024 -10.370 -1.020 422 HG23 THR 53 2HG2 THR 53 -3.275 -10.804 0.148 423 H SER 54 HN SER 54 -1.586 -10.245 3.973 424 HA SER 54 HA SER 54 1.032 -9.914 5.100 425 HB2 SER 54 2HB SER 54 -1.008 -9.591 6.473 426 HB3 SER 54 1HB SER 54 -1.426 -11.290 6.272 427 HG SER 54 HG SER 54 1.112 -10.907 7.242 428 H LYS 55 HN LYS 55 -0.721 -12.533 3.616 429 HA LYS 55 HA LYS 55 0.776 -14.772 4.398 430 HB2 LYS 55 2HB LYS 55 -1.392 -14.718 3.042 431 HB3 LYS 55 1HB LYS 55 -0.429 -14.306 1.632 432 HG2 LYS 55 2HG LYS 55 -0.956 -16.682 1.624 433 HG3 LYS 55 1HG LYS 55 0.785 -16.457 1.848 434 HD2 LYS 55 2HD LYS 55 0.542 -16.861 4.278 435 HD3 LYS 55 1HD LYS 55 -1.208 -17.016 4.096 436 HE2 LYS 55 2HE LYS 55 -0.134 -19.223 4.293 437 HE3 LYS 55 1HE LYS 55 -0.887 -19.031 2.711 438 HZ1 LYS 55 3HZ LYS 55 1.228 -18.633 1.725 439 HZ2 LYS 55 1HZ LYS 55 1.350 -20.042 2.650 440 HZ3 LYS 55 2HZ LYS 55 2.001 -18.592 3.228 441 H ASP 56 HN ASP 56 1.373 -12.314 1.977 442 HA ASP 56 HA ASP 56 4.147 -13.267 1.623 443 HB2 ASP 56 2HB ASP 56 2.210 -12.317 -0.532 444 HB3 ASP 56 1HB ASP 56 3.947 -12.415 -0.790 445 H LYS 57 HN LYS 57 3.321 -11.424 3.538 446 HA LYS 57 HA LYS 57 3.993 -8.759 2.730 447 HB2 LYS 57 2HB LYS 57 2.646 -9.251 4.757 448 HB3 LYS 57 1HB LYS 57 4.010 -10.096 5.475 449 HG2 LYS 57 2HG LYS 57 5.217 -7.738 5.163 450 HG3 LYS 57 1HG LYS 57 3.560 -7.136 5.125 451 HD2 LYS 57 2HD LYS 57 3.164 -8.211 7.355 452 HD3 LYS 57 1HD LYS 57 4.854 -8.731 7.386 453 HE2 LYS 57 2HE LYS 57 5.561 -6.345 7.307 454 HE3 LYS 57 1HE LYS 57 3.867 -5.854 7.308 455 HZ1 LYS 57 3HZ LYS 57 5.262 -7.320 9.482 456 HZ2 LYS 57 1HZ LYS 57 3.618 -6.906 9.479 457 HZ3 LYS 57 2HZ LYS 57 4.795 -5.690 9.504 458 H PHE 58 HN PHE 58 6.025 -7.762 2.698 459 HA PHE 58 HA PHE 58 8.274 -9.062 4.126 460 HB2 PHE 58 2HB PHE 58 8.774 -8.375 1.781 461 HB3 PHE 58 1HB PHE 58 8.333 -6.714 2.165 462 HD1 PHE 58 HD2 PHE 58 10.565 -9.378 3.642 463 HD2 PHE 58 HD1 PHE 58 10.172 -5.287 2.470 464 HE1 PHE 58 HE2 PHE 58 12.879 -8.945 4.349 465 HE2 PHE 58 HE1 PHE 58 12.484 -4.862 3.174 466 HZ PHE 58 HZ PHE 58 13.843 -6.691 4.112 467 H ASP 59 HN ASP 59 9.045 -8.079 5.976 468 HA ASP 59 HA ASP 59 7.441 -6.092 7.284 469 HB2 ASP 59 2HB ASP 59 10.119 -7.313 8.070 470 HB3 ASP 59 1HB ASP 59 9.145 -6.286 9.119 471 H SER 60 HN SER 60 8.306 -4.053 8.200 472 HA SER 60 HA SER 60 9.739 -2.457 6.294 473 HB2 SER 60 2HB SER 60 9.025 -1.773 9.181 474 HB3 SER 60 1HB SER 60 9.465 -0.634 7.907 475 HG SER 60 HG SER 60 7.237 -0.711 8.139 476 H GLN 61 HN GLN 61 11.573 -4.061 6.315 477 HA GLN 61 HA GLN 61 13.582 -3.715 8.431 478 HB2 GLN 61 2HB GLN 61 13.613 -5.488 5.938 479 HB3 GLN 61 1HB GLN 61 14.806 -5.508 7.235 480 HG2 GLN 61 2HG GLN 61 11.884 -6.289 7.480 481 HG3 GLN 61 1HG GLN 61 13.255 -7.398 7.427 482 HE21 GLN 61 1HE2 GLN 61 14.690 -7.458 9.239 483 HE22 GLN 61 2HE2 GLN 61 14.167 -6.931 10.800 484 H CYS 62 HN CYS 62 12.819 -2.762 5.186 485 HA CYS 62 HA CYS 62 15.402 -1.401 4.762 486 HB2 CYS 62 2HB CYS 62 13.101 -1.936 2.830 487 HB3 CYS 62 1HB CYS 62 14.694 -1.303 2.405 488 HG CYS 62 HG CYS 62 14.254 -4.066 1.654 489 H GLY 63 HN GLY 63 13.410 -0.443 6.689 490 HA2 GLY 63 2HA GLY 63 12.720 1.700 7.335 491 HA3 GLY 63 1HA GLY 63 12.892 2.261 5.678 492 H TRP 64 HN TRP 64 11.359 1.018 4.138 493 HA TRP 64 HA TRP 64 8.645 0.793 5.298 494 HB2 TRP 64 2HB TRP 64 9.585 1.872 2.613 495 HB3 TRP 64 1HB TRP 64 7.914 1.394 2.880 496 HD1 TRP 64 HD1 TRP 64 7.664 2.647 5.884 497 HE1 TRP 64 HE1 TRP 64 7.409 5.189 6.116 498 HE3 TRP 64 HE3 TRP 64 9.566 4.093 1.344 499 HZ2 TRP 64 HZ2 TRP 64 7.925 7.502 4.606 500 HZ3 TRP 64 HZ3 TRP 64 9.638 6.503 0.818 501 HH2 TRP 64 HH2 TRP 64 8.833 8.174 2.420 502 HA PRO 65 HA PRO 65 8.517 -3.468 3.947 503 HB2 PRO 65 2HB PRO 65 5.837 -3.778 3.323 504 HB3 PRO 65 1HB PRO 65 6.466 -3.730 4.978 505 HG2 PRO 65 2HG PRO 65 5.218 -1.510 3.357 506 HG3 PRO 65 1HG PRO 65 4.921 -1.958 5.052 507 HD2 PRO 65 2HD PRO 65 6.518 0.107 4.403 508 HD3 PRO 65 1HD PRO 65 6.885 -0.928 5.797 509 H SER 66 HN SER 66 9.431 -4.095 2.113 510 HA SER 66 HA SER 66 8.414 -3.188 -0.504 511 HB2 SER 66 2HB SER 66 10.842 -3.160 -1.243 512 HB3 SER 66 1HB SER 66 10.432 -1.934 -0.046 513 HG SER 66 HG SER 66 11.631 -4.439 0.565 514 H PHE 67 HN PHE 67 7.405 -4.994 -1.245 515 HA PHE 67 HA PHE 67 8.846 -7.595 -1.164 516 HB2 PHE 67 2HB PHE 67 6.609 -7.385 0.164 517 HB3 PHE 67 1HB PHE 67 5.808 -7.298 -1.400 518 HD1 PHE 67 HD1 PHE 67 7.966 -9.481 0.739 519 HD2 PHE 67 HD2 PHE 67 5.325 -9.323 -2.610 520 HE1 PHE 67 HE1 PHE 67 7.938 -11.935 0.640 521 HE2 PHE 67 HE2 PHE 67 5.310 -11.778 -2.708 522 HZ PHE 67 HZ PHE 67 6.620 -13.087 -1.087 523 H THR 68 HN THR 68 7.993 -9.038 -3.099 524 HA THR 68 HA THR 68 8.445 -7.556 -5.566 525 HB THR 68 HB THR 68 9.706 -9.615 -5.192 526 HG1 THR 68 HG1 THR 68 7.801 -9.910 -7.296 527 HG21 THR 68 3HG2 THR 68 8.635 -11.837 -5.198 528 HG22 THR 68 1HG2 THR 68 7.039 -11.074 -5.202 529 HG23 THR 68 2HG2 THR 68 8.111 -10.878 -3.816 530 H LYS 69 HN LYS 69 5.630 -8.391 -3.876 531 HA LYS 69 HA LYS 69 4.043 -8.909 -6.335 532 HB2 LYS 69 2HB LYS 69 4.278 -10.960 -4.954 533 HB3 LYS 69 1HB LYS 69 3.602 -10.115 -3.565 534 HG2 LYS 69 2HG LYS 69 1.466 -9.823 -4.865 535 HG3 LYS 69 1HG LYS 69 2.166 -10.806 -6.155 536 HD2 LYS 69 2HD LYS 69 1.699 -11.728 -3.287 537 HD3 LYS 69 1HD LYS 69 0.652 -12.108 -4.658 538 HE2 LYS 69 2HE LYS 69 2.510 -13.348 -5.727 539 HE3 LYS 69 1HE LYS 69 3.565 -12.934 -4.376 540 HZ1 LYS 69 3HZ LYS 69 2.175 -14.210 -2.909 541 HZ2 LYS 69 1HZ LYS 69 2.656 -15.171 -4.215 542 HZ3 LYS 69 2HZ LYS 69 1.088 -14.549 -4.161 543 HA PRO 70 HA PRO 70 1.353 -5.589 -4.634 544 HB2 PRO 70 2HB PRO 70 0.537 -4.646 -7.054 545 HB3 PRO 70 1HB PRO 70 2.044 -4.109 -6.304 546 HG2 PRO 70 2HG PRO 70 1.631 -6.155 -8.471 547 HG3 PRO 70 1HG PRO 70 2.862 -4.880 -8.362 548 HD2 PRO 70 2HD PRO 70 3.339 -7.516 -7.699 549 HD3 PRO 70 1HD PRO 70 4.230 -6.155 -6.981 550 H ILE 71 HN ILE 71 -1.015 -5.437 -4.957 551 HA ILE 71 HA ILE 71 -2.287 -7.830 -6.140 552 HB ILE 71 HB ILE 71 -3.399 -5.647 -4.317 553 HG12 ILE 71 2HG1 ILE 71 -3.008 -8.644 -3.890 554 HG13 ILE 71 1HG1 ILE 71 -1.978 -7.383 -3.221 555 HG21 ILE 71 1HG2 ILE 71 -5.165 -6.255 -5.920 556 HG22 ILE 71 2HG2 ILE 71 -5.549 -6.902 -4.325 557 HG23 ILE 71 3HG2 ILE 71 -4.916 -7.971 -5.578 558 HD11 ILE 71 3HD1 ILE 71 -3.866 -6.569 -1.882 559 HD12 ILE 71 1HD1 ILE 71 -3.476 -8.258 -1.547 560 HD13 ILE 71 2HD1 ILE 71 -4.878 -7.862 -2.539 561 H GLU 72 HN GLU 72 -2.990 -7.663 -8.165 562 HA GLU 72 HA GLU 72 -2.412 -5.394 -9.764 563 HB2 GLU 72 2HB GLU 72 -4.134 -7.775 -10.563 564 HB3 GLU 72 1HB GLU 72 -3.209 -6.724 -11.635 565 HG2 GLU 72 2HG GLU 72 -2.065 -8.670 -9.605 566 HG3 GLU 72 1HG GLU 72 -2.153 -8.930 -11.343 567 H GLU 73 HN GLU 73 -5.212 -6.084 -7.940 568 HA GLU 73 HA GLU 73 -7.253 -5.226 -9.712 569 HB2 GLU 73 2HB GLU 73 -7.671 -6.783 -7.863 570 HB3 GLU 73 1HB GLU 73 -7.234 -5.546 -6.686 571 HG2 GLU 73 2HG GLU 73 -9.198 -4.193 -7.421 572 HG3 GLU 73 1HG GLU 73 -9.630 -5.474 -8.546 573 H GLU 74 HN GLU 74 -5.706 -3.526 -6.902 574 HA GLU 74 HA GLU 74 -7.104 -1.048 -7.793 575 HB2 GLU 74 2HB GLU 74 -7.874 -2.265 -5.590 576 HB3 GLU 74 1HB GLU 74 -6.410 -1.589 -4.883 577 HG2 GLU 74 2HG GLU 74 -8.336 -0.173 -4.410 578 HG3 GLU 74 1HG GLU 74 -7.181 0.684 -5.426 579 H VAL 75 HN VAL 75 -4.218 -2.338 -7.919 580 HA VAL 75 HA VAL 75 -2.680 0.022 -7.019 581 HB VAL 75 HB VAL 75 -1.827 -2.870 -7.492 582 HG11 VAL 75 1HG1 VAL 75 -0.085 -0.521 -6.661 583 HG12 VAL 75 2HG1 VAL 75 -0.005 -1.378 -8.202 584 HG13 VAL 75 3HG1 VAL 75 0.421 -2.212 -6.707 585 HG21 VAL 75 3HG2 VAL 75 -3.055 -2.519 -5.382 586 HG22 VAL 75 1HG2 VAL 75 -1.937 -1.223 -4.943 587 HG23 VAL 75 2HG2 VAL 75 -1.356 -2.887 -5.065 588 H GLU 76 HN GLU 76 -2.034 1.328 -8.615 589 HA GLU 76 HA GLU 76 -1.835 0.302 -11.408 590 HB2 GLU 76 2HB GLU 76 -2.333 3.177 -10.474 591 HB3 GLU 76 1HB GLU 76 -2.156 2.660 -12.149 592 HG2 GLU 76 2HG GLU 76 -4.207 1.263 -11.881 593 HG3 GLU 76 1HG GLU 76 -4.410 1.932 -10.261 594 H GLU 77 HN GLU 77 0.228 0.123 -12.118 595 HA GLU 77 HA GLU 77 2.425 1.557 -10.812 596 HB2 GLU 77 2HB GLU 77 3.859 0.227 -12.427 597 HB3 GLU 77 1HB GLU 77 2.907 -0.752 -11.319 598 HG2 GLU 77 2HG GLU 77 1.332 -1.332 -13.039 599 HG3 GLU 77 1HG GLU 77 2.028 -0.165 -14.156 600 H LYS 78 HN LYS 78 3.438 3.339 -11.744 601 HA LYS 78 HA LYS 78 2.432 4.368 -14.303 602 HB2 LYS 78 2HB LYS 78 0.849 4.799 -12.258 603 HB3 LYS 78 1HB LYS 78 2.038 5.997 -11.763 604 HG2 LYS 78 2HG LYS 78 1.637 7.317 -13.740 605 HG3 LYS 78 1HG LYS 78 0.668 6.033 -14.476 606 HD2 LYS 78 2HD LYS 78 -0.071 7.606 -11.965 607 HD3 LYS 78 1HD LYS 78 -0.774 7.835 -13.568 608 HE2 LYS 78 2HE LYS 78 -1.766 5.601 -13.500 609 HE3 LYS 78 1HE LYS 78 -0.949 5.244 -11.978 610 HZ1 LYS 78 3HZ LYS 78 -3.011 7.340 -12.359 611 HZ2 LYS 78 1HZ LYS 78 -2.252 6.936 -10.902 612 HZ3 LYS 78 2HZ LYS 78 -3.267 5.820 -11.666 613 H LEU 79 HN LEU 79 4.188 5.001 -15.294 614 HA LEU 79 HA LEU 79 6.714 5.462 -14.058 615 HB2 LEU 79 2HB LEU 79 6.297 4.390 -16.332 616 HB3 LEU 79 1HB LEU 79 5.891 5.984 -16.948 617 HG LEU 79 HG LEU 79 8.261 6.719 -16.333 618 HD11 LEU 79 1HD1 LEU 79 8.771 4.966 -14.689 619 HD12 LEU 79 2HD1 LEU 79 9.974 5.028 -15.972 620 HD13 LEU 79 3HD1 LEU 79 8.752 3.752 -15.972 621 HD21 LEU 79 3HD2 LEU 79 7.647 6.198 -18.647 622 HD22 LEU 79 1HD2 LEU 79 8.019 4.493 -18.380 623 HD23 LEU 79 2HD2 LEU 79 9.303 5.703 -18.309 624 H ASP 80 HN ASP 80 7.867 7.361 -13.896 625 HA ASP 80 HA ASP 80 6.857 9.924 -14.847 626 HB2 ASP 80 2HB ASP 80 7.042 10.990 -12.628 627 HB3 ASP 80 1HB ASP 80 5.835 9.710 -12.602 628 H THR 81 HN THR 81 8.554 11.669 -14.430 629 HA THR 81 HA THR 81 11.244 10.701 -13.735 630 HB THR 81 HB THR 81 11.358 10.722 -16.157 631 HG1 THR 81 HG1 THR 81 13.090 11.743 -14.815 632 HG21 THR 81 3HG2 THR 81 10.370 13.598 -16.090 633 HG22 THR 81 1HG2 THR 81 9.493 12.208 -16.737 634 HG23 THR 81 2HG2 THR 81 10.975 12.758 -17.519 635 H SER 82 HN SER 82 11.974 11.894 -12.087 636 HA SER 82 HA SER 82 10.739 14.424 -11.380 637 HB2 SER 82 2HB SER 82 13.043 12.945 -10.037 638 HB3 SER 82 1HB SER 82 12.106 14.269 -9.339 639 HG SER 82 HG SER 82 10.237 12.800 -9.680 640 H HIS 83 HN HIS 83 14.122 13.384 -11.984 641 HA HIS 83 HA HIS 83 14.836 15.825 -13.399 642 HB2 HIS 83 2HB HIS 83 16.218 15.108 -10.763 643 HB3 HIS 83 1HB HIS 83 16.813 16.307 -11.901 644 HD1 HIS 83 HD1 HIS 83 15.026 18.374 -12.306 645 HD2 HIS 83 HD2 HIS 83 14.653 16.154 -8.809 646 HE1 HIS 83 HE1 HIS 83 13.661 19.799 -10.743 647 HE2 HIS 83 HE2 HIS 83 13.349 18.381 -8.683 648 H GLY 84 HN GLY 84 15.143 14.254 -15.081 649 HA2 GLY 84 2HA GLY 84 16.732 13.426 -16.540 650 HA3 GLY 84 1HA GLY 84 17.919 13.447 -15.254 651 H MET 85 HN MET 85 16.141 11.737 -13.523 652 HA MET 85 HA MET 85 16.589 9.127 -14.830 653 HB2 MET 85 2HB MET 85 16.257 9.785 -11.862 654 HB3 MET 85 1HB MET 85 16.503 8.175 -12.525 655 HG2 MET 85 2HG MET 85 18.559 8.949 -11.578 656 HG3 MET 85 1HG MET 85 18.747 8.904 -13.333 657 HE1 MET 85 3HE MET 85 20.606 10.586 -11.087 658 HE2 MET 85 1HE MET 85 20.951 11.993 -12.094 659 HE3 MET 85 2HE MET 85 21.001 10.376 -12.795 660 H ILE 86 HN ILE 86 14.863 7.784 -15.147 661 HA ILE 86 HA ILE 86 12.175 8.692 -14.487 662 HB ILE 86 HB ILE 86 11.346 6.622 -15.575 663 HG12 ILE 86 2HG1 ILE 86 14.249 5.971 -16.265 664 HG13 ILE 86 1HG1 ILE 86 13.358 5.174 -14.976 665 HG21 ILE 86 1HG2 ILE 86 11.665 8.616 -16.942 666 HG22 ILE 86 2HG2 ILE 86 12.003 7.163 -17.884 667 HG23 ILE 86 3HG2 ILE 86 13.338 8.151 -17.280 668 HD11 ILE 86 3HD1 ILE 86 13.411 3.796 -16.944 669 HD12 ILE 86 1HD1 ILE 86 12.696 5.085 -17.915 670 HD13 ILE 86 2HD1 ILE 86 11.754 4.321 -16.630 671 H ARG 87 HN ARG 87 10.712 7.433 -13.285 672 HA ARG 87 HA ARG 87 11.645 5.391 -11.414 673 HB2 ARG 87 2HB ARG 87 10.026 7.837 -10.514 674 HB3 ARG 87 1HB ARG 87 10.494 6.471 -9.503 675 HG2 ARG 87 2HG ARG 87 12.866 7.180 -9.683 676 HG3 ARG 87 1HG ARG 87 12.368 8.550 -10.686 677 HD2 ARG 87 2HD ARG 87 11.702 8.039 -7.765 678 HD3 ARG 87 1HD ARG 87 12.630 9.381 -8.444 679 HE ARG 87 HE ARG 87 10.316 9.796 -9.654 680 HH11 ARG 87 1HH1 ARG 87 10.844 9.063 -6.246 681 HH12 ARG 87 2HH1 ARG 87 9.353 9.795 -5.754 682 HH21 ARG 87 1HH2 ARG 87 8.384 10.696 -8.996 683 HH22 ARG 87 2HH2 ARG 87 7.939 10.706 -7.318 684 H THR 88 HN THR 88 9.695 4.267 -10.532 685 HA THR 88 HA THR 88 7.158 4.904 -11.926 686 HB THR 88 HB THR 88 7.961 2.082 -11.063 687 HG1 THR 88 HG1 THR 88 8.871 3.519 -13.181 688 HG21 THR 88 3HG2 THR 88 5.891 3.057 -13.069 689 HG22 THR 88 1HG2 THR 88 5.525 2.496 -11.441 690 HG23 THR 88 2HG2 THR 88 6.205 1.378 -12.628 691 H GLU 89 HN GLU 89 5.436 5.131 -10.558 692 HA GLU 89 HA GLU 89 5.741 4.253 -7.730 693 HB2 GLU 89 2HB GLU 89 4.176 6.700 -8.671 694 HB3 GLU 89 1HB GLU 89 4.386 6.158 -7.006 695 HG2 GLU 89 2HG GLU 89 6.809 6.644 -7.182 696 HG3 GLU 89 1HG GLU 89 6.560 7.222 -8.832 697 H VAL 90 HN VAL 90 3.966 3.288 -6.817 698 HA VAL 90 HA VAL 90 1.725 2.654 -8.582 699 HB VAL 90 HB VAL 90 0.987 1.129 -6.694 700 HG11 VAL 90 1HG1 VAL 90 2.687 -0.611 -7.238 701 HG12 VAL 90 2HG1 VAL 90 3.708 0.635 -7.965 702 HG13 VAL 90 3HG1 VAL 90 2.133 0.256 -8.673 703 HG21 VAL 90 3HG2 VAL 90 2.652 0.475 -4.995 704 HG22 VAL 90 1HG2 VAL 90 2.226 2.178 -4.833 705 HG23 VAL 90 2HG2 VAL 90 3.759 1.722 -5.581 706 H ARG 91 HN ARG 91 -0.041 3.799 -8.487 707 HA ARG 91 HA ARG 91 -0.912 5.375 -6.258 708 HB2 ARG 91 2HB ARG 91 -0.500 7.616 -7.365 709 HB3 ARG 91 1HB ARG 91 0.971 6.797 -6.860 710 HG2 ARG 91 2HG ARG 91 1.329 6.051 -9.233 711 HG3 ARG 91 1HG ARG 91 -0.087 6.990 -9.711 712 HD2 ARG 91 2HD ARG 91 1.113 9.043 -8.779 713 HD3 ARG 91 1HD ARG 91 2.547 8.021 -8.602 714 HE ARG 91 HE ARG 91 1.219 8.598 -11.201 715 HH11 ARG 91 1HH1 ARG 91 4.189 8.149 -9.390 716 HH12 ARG 91 2HH1 ARG 91 5.201 8.251 -10.794 717 HH21 ARG 91 1HH2 ARG 91 2.575 8.789 -13.026 718 HH22 ARG 91 2HH2 ARG 91 4.290 8.623 -12.844 719 H SER 92 HN SER 92 -3.081 5.343 -6.464 720 HA SER 92 HA SER 92 -4.478 4.992 -8.941 721 HB2 SER 92 2HB SER 92 -5.411 4.244 -6.783 722 HB3 SER 92 1HB SER 92 -5.485 5.907 -6.219 723 HG SER 92 HG SER 92 -7.361 4.602 -7.407 724 H ARG 93 HN ARG 93 -6.327 6.623 -9.437 725 HA ARG 93 HA ARG 93 -5.006 9.120 -10.152 726 HB2 ARG 93 2HB ARG 93 -6.971 9.456 -11.633 727 HB3 ARG 93 1HB ARG 93 -6.184 7.902 -11.889 728 HG2 ARG 93 2HG ARG 93 -8.031 6.910 -10.370 729 HG3 ARG 93 1HG ARG 93 -8.858 8.458 -10.574 730 HD2 ARG 93 2HD ARG 93 -9.717 6.860 -12.195 731 HD3 ARG 93 1HD ARG 93 -8.813 8.117 -13.046 732 HE ARG 93 HE ARG 93 -7.230 5.789 -12.390 733 HH11 ARG 93 1HH1 ARG 93 -9.409 7.127 -14.806 734 HH12 ARG 93 2HH1 ARG 93 -8.815 6.096 -16.064 735 HH21 ARG 93 1HH2 ARG 93 -6.482 4.448 -14.051 736 HH22 ARG 93 2HH2 ARG 93 -7.144 4.595 -15.651 737 H THR 94 HN THR 94 -7.933 8.138 -8.343 738 HA THR 94 HA THR 94 -8.642 10.888 -7.719 739 HB THR 94 HB THR 94 -9.980 8.326 -6.733 740 HG1 THR 94 HG1 THR 94 -11.178 9.692 -8.795 741 HG21 THR 94 3HG2 THR 94 -11.061 11.158 -6.997 742 HG22 THR 94 1HG2 THR 94 -10.668 10.345 -5.479 743 HG23 THR 94 2HG2 THR 94 -11.987 9.742 -6.486 744 H ALA 95 HN ALA 95 -8.030 8.028 -5.587 745 HA ALA 95 HA ALA 95 -7.570 9.944 -3.349 746 HB1 ALA 95 3HB ALA 95 -8.833 8.470 -1.863 747 HB2 ALA 95 1HB ALA 95 -9.138 7.352 -3.195 748 HB3 ALA 95 2HB ALA 95 -9.835 8.974 -3.227 749 H ASP 96 HN ASP 96 -6.944 6.595 -4.466 750 HA ASP 96 HA ASP 96 -5.386 5.866 -2.178 751 HB2 ASP 96 2HB ASP 96 -5.263 4.304 -4.771 752 HB3 ASP 96 1HB ASP 96 -5.089 3.715 -3.130 753 H SER 97 HN SER 97 -4.325 8.128 -4.128 754 HA SER 97 HA SER 97 -1.955 7.308 -5.381 755 HB2 SER 97 2HB SER 97 -2.570 10.041 -4.180 756 HB3 SER 97 1HB SER 97 -1.411 9.702 -5.467 757 HG SER 97 HG SER 97 -3.053 9.200 -6.828 758 H HIS 98 HN HIS 98 -2.465 7.154 -2.074 759 HA HIS 98 HA HIS 98 0.032 8.226 -1.097 760 HB2 HIS 98 2HB HIS 98 -1.883 6.524 0.533 761 HB3 HIS 98 1HB HIS 98 -0.797 7.790 1.099 762 HD1 HIS 98 HD1 HIS 98 -1.579 10.289 0.556 763 HD2 HIS 98 HD2 HIS 98 -4.394 7.313 -0.122 764 HE1 HIS 98 HE1 HIS 98 -3.782 11.485 0.386 765 HE2 HIS 98 HE2 HIS 98 -5.420 9.682 -0.272 766 H LEU 99 HN LEU 99 -0.716 5.299 -2.613 767 HA LEU 99 HA LEU 99 0.009 3.232 -0.959 768 HB2 LEU 99 2HB LEU 99 0.836 3.219 -3.881 769 HB3 LEU 99 1HB LEU 99 0.439 1.838 -2.876 770 HG LEU 99 HG LEU 99 -1.479 3.895 -4.011 771 HD11 LEU 99 1HD1 LEU 99 -0.748 2.229 -5.642 772 HD12 LEU 99 2HD1 LEU 99 -2.448 2.008 -5.235 773 HD13 LEU 99 3HD1 LEU 99 -1.231 0.923 -4.553 774 HD21 LEU 99 3HD2 LEU 99 -3.298 2.593 -2.995 775 HD22 LEU 99 1HD2 LEU 99 -2.252 3.328 -1.783 776 HD23 LEU 99 2HD2 LEU 99 -2.110 1.607 -2.144 777 H GLY 100 HN GLY 100 2.339 4.288 -3.472 778 HA2 GLY 100 2HA GLY 100 4.580 4.820 -1.964 779 HA3 GLY 100 1HA GLY 100 4.534 3.061 -2.074 780 H HIS 101 HN HIS 101 6.518 3.196 -3.159 781 HA HIS 101 HA HIS 101 6.501 4.178 -5.952 782 HB2 HIS 101 2HB HIS 101 9.002 4.180 -4.211 783 HB3 HIS 101 1HB HIS 101 8.699 5.080 -5.694 784 HD1 HIS 101 HD1 HIS 101 6.940 7.123 -5.434 785 HD2 HIS 101 HD2 HIS 101 8.463 5.559 -1.902 786 HE1 HIS 101 HE1 HIS 101 6.371 8.798 -3.665 787 HE2 HIS 101 HE2 HIS 101 7.537 7.956 -1.600 788 H VAL 102 HN VAL 102 7.625 2.816 -7.434 789 HA VAL 102 HA VAL 102 8.709 0.286 -6.410 790 HB VAL 102 HB VAL 102 7.613 -1.074 -8.101 791 HG11 VAL 102 1HG1 VAL 102 5.565 0.617 -6.622 792 HG12 VAL 102 2HG1 VAL 102 6.416 -0.788 -5.975 793 HG13 VAL 102 3HG1 VAL 102 5.278 -0.985 -7.306 794 HG21 VAL 102 3HG2 VAL 102 5.838 -0.187 -9.580 795 HG22 VAL 102 1HG2 VAL 102 7.413 0.534 -9.921 796 HG23 VAL 102 2HG2 VAL 102 6.197 1.451 -9.026 797 H PHE 103 HN PHE 103 10.430 -0.521 -7.486 798 HA PHE 103 HA PHE 103 11.603 1.213 -9.586 799 HB2 PHE 103 2HB PHE 103 12.958 -0.217 -7.255 800 HB3 PHE 103 1HB PHE 103 13.817 0.649 -8.527 801 HD1 PHE 103 HD1 PHE 103 13.622 3.132 -8.713 802 HD2 PHE 103 HD2 PHE 103 11.848 1.005 -5.450 803 HE1 PHE 103 HE1 PHE 103 13.372 5.239 -7.470 804 HE2 PHE 103 HE2 PHE 103 11.606 3.120 -4.214 805 HZ PHE 103 HZ PHE 103 12.358 5.237 -5.224 806 H ASN 104 HN ASN 104 12.727 0.311 -11.248 807 HA ASN 104 HA ASN 104 12.078 -2.388 -12.049 808 HB2 ASN 104 2HB ASN 104 13.820 -0.272 -13.389 809 HB3 ASN 104 1HB ASN 104 13.284 -1.764 -14.153 810 HD21 ASN 104 1HD2 ASN 104 11.157 -1.910 -14.908 811 HD22 ASN 104 2HD2 ASN 104 10.095 -0.551 -14.970 812 H ASP 105 HN ASP 105 14.273 -1.445 -9.916 813 HA ASP 105 HA ASP 105 16.612 -2.998 -10.762 814 HB2 ASP 105 2HB ASP 105 16.908 -0.739 -9.743 815 HB3 ASP 105 1HB ASP 105 16.083 -1.279 -8.287 816 H GLY 106 HN GLY 106 13.716 -3.348 -9.001 817 HA2 GLY 106 2HA GLY 106 14.637 -5.562 -7.291 818 HA3 GLY 106 1HA GLY 106 13.058 -4.796 -7.246 819 HA PRO 107 HA PRO 107 13.227 -8.507 -10.494 820 HB2 PRO 107 2HB PRO 107 13.529 -10.612 -8.413 821 HB3 PRO 107 1HB PRO 107 14.390 -10.417 -9.944 822 HG2 PRO 107 2HG PRO 107 15.590 -9.978 -7.549 823 HG3 PRO 107 1HG PRO 107 16.029 -9.067 -9.010 824 HD2 PRO 107 2HD PRO 107 14.277 -8.230 -6.701 825 HD3 PRO 107 1HD PRO 107 15.508 -7.295 -7.584 826 H GLY 108 HN GLY 108 11.189 -9.122 -11.024 827 HA2 GLY 108 2HA GLY 108 9.261 -10.213 -9.169 828 HA3 GLY 108 1HA GLY 108 8.904 -8.549 -9.618 829 HA PRO 109 HA PRO 109 6.877 -11.683 -12.686 830 HB2 PRO 109 2HB PRO 109 4.645 -9.740 -12.044 831 HB3 PRO 109 1HB PRO 109 4.566 -11.485 -12.341 832 HG2 PRO 109 2HG PRO 109 4.397 -10.552 -9.857 833 HG3 PRO 109 1HG PRO 109 5.348 -12.014 -10.192 834 HD2 PRO 109 2HD PRO 109 6.308 -9.209 -9.656 835 HD3 PRO 109 1HD PRO 109 7.003 -10.762 -9.136 836 H ASN 110 HN ASN 110 6.503 -8.172 -12.330 837 HA ASN 110 HA ASN 110 6.861 -7.754 -15.233 838 HB2 ASN 110 2HB ASN 110 4.921 -6.631 -14.125 839 HB3 ASN 110 1HB ASN 110 6.032 -5.764 -13.067 840 HD21 ASN 110 1HD2 ASN 110 5.343 -3.770 -13.819 841 HD22 ASN 110 2HD2 ASN 110 5.698 -3.181 -15.399 842 H GLY 111 HN GLY 111 8.488 -7.594 -12.226 843 HA2 GLY 111 2HA GLY 111 10.793 -7.366 -11.912 844 HA3 GLY 111 1HA GLY 111 10.928 -6.499 -13.436 845 H LEU 112 HN LEU 112 8.645 -5.843 -10.819 846 HA LEU 112 HA LEU 112 9.924 -3.208 -10.353 847 HB2 LEU 112 2HB LEU 112 6.982 -3.966 -10.226 848 HB3 LEU 112 1HB LEU 112 7.625 -2.445 -9.617 849 HG LEU 112 HG LEU 112 7.684 -3.360 -12.524 850 HD11 LEU 112 1HD1 LEU 112 6.120 -1.502 -12.902 851 HD12 LEU 112 2HD1 LEU 112 6.074 -1.192 -11.166 852 HD13 LEU 112 3HD1 LEU 112 5.455 -2.714 -11.808 853 HD21 LEU 112 3HD2 LEU 112 8.666 -0.745 -11.322 854 HD22 LEU 112 1HD2 LEU 112 8.568 -1.118 -13.048 855 HD23 LEU 112 2HD2 LEU 112 9.677 -2.014 -12.015 856 H ARG 113 HN ARG 113 9.913 -2.414 -8.210 857 HA ARG 113 HA ARG 113 9.969 -4.535 -6.125 858 HB2 ARG 113 2HB ARG 113 12.142 -3.446 -6.517 859 HB3 ARG 113 1HB ARG 113 11.416 -1.855 -6.330 860 HG2 ARG 113 2HG ARG 113 10.980 -2.311 -3.951 861 HG3 ARG 113 1HG ARG 113 11.672 -3.927 -4.124 862 HD2 ARG 113 2HD ARG 113 13.194 -1.336 -4.604 863 HD3 ARG 113 1HD ARG 113 13.239 -2.265 -3.105 864 HE ARG 113 HE ARG 113 14.099 -4.154 -4.551 865 HH11 ARG 113 1HH1 ARG 113 14.793 -0.801 -5.404 866 HH12 ARG 113 2HH1 ARG 113 16.291 -1.205 -6.180 867 HH21 ARG 113 1HH2 ARG 113 16.044 -4.638 -5.572 868 HH22 ARG 113 2HH2 ARG 113 16.995 -3.370 -6.281 869 H TYR 114 HN TYR 114 8.064 -4.502 -5.021 870 HA TYR 114 HA TYR 114 6.360 -2.172 -5.108 871 HB2 TYR 114 2HB TYR 114 5.541 -4.536 -5.495 872 HB3 TYR 114 1HB TYR 114 5.845 -4.879 -3.793 873 HD1 TYR 114 HD2 TYR 114 4.164 -2.161 -5.773 874 HD2 TYR 114 HD1 TYR 114 3.865 -4.887 -2.495 875 HE1 TYR 114 HE2 TYR 114 1.924 -1.316 -5.274 876 HE2 TYR 114 HE1 TYR 114 1.620 -4.025 -1.995 877 HH TYR 114 HH TYR 114 -0.038 -1.868 -4.117 878 H CYS 115 HN CYS 115 7.041 -0.584 -3.747 879 HA CYS 115 HA CYS 115 7.742 -1.276 -0.947 880 HB2 CYS 115 2HB CYS 115 9.717 -0.538 -2.286 881 HB3 CYS 115 1HB CYS 115 8.915 1.002 -2.603 882 HG CYS 115 HG CYS 115 9.125 0.198 0.647 883 H ILE 116 HN ILE 116 6.146 -0.670 0.281 884 HA ILE 116 HA ILE 116 4.479 1.703 -0.368 885 HB ILE 116 HB ILE 116 3.686 -0.834 1.158 886 HG12 ILE 116 2HG1 ILE 116 3.987 -1.348 -1.210 887 HG13 ILE 116 1HG1 ILE 116 2.265 -1.325 -0.849 888 HG21 ILE 116 1HG2 ILE 116 2.410 1.123 1.934 889 HG22 ILE 116 2HG2 ILE 116 1.374 0.015 1.037 890 HG23 ILE 116 3HG2 ILE 116 1.943 1.500 0.274 891 HD11 ILE 116 3HD1 ILE 116 2.702 -0.271 -2.962 892 HD12 ILE 116 1HD1 ILE 116 3.837 0.854 -2.223 893 HD13 ILE 116 2HD1 ILE 116 2.118 0.934 -1.823 894 H ASN 117 HN ASN 117 3.871 3.050 1.405 895 HA ASN 117 HA ASN 117 5.849 3.059 3.566 896 HB2 ASN 117 2HB ASN 117 5.157 5.311 4.018 897 HB3 ASN 117 1HB ASN 117 5.278 5.153 2.272 898 HD21 ASN 117 1HD2 ASN 117 3.263 4.832 1.093 899 HD22 ASN 117 2HD2 ASN 117 1.816 5.539 1.702 900 H SER 118 HN SER 118 5.374 2.867 5.737 901 HA SER 118 HA SER 118 3.191 1.129 6.391 902 HB2 SER 118 2HB SER 118 5.192 2.457 8.264 903 HB3 SER 118 1HB SER 118 4.213 1.025 8.608 904 HG SER 118 HG SER 118 6.599 1.153 7.458 905 H ALA 119 HN ALA 119 3.648 4.558 6.477 906 HA ALA 119 HA ALA 119 1.834 5.286 8.538 907 HB1 ALA 119 3HB ALA 119 2.649 6.848 6.063 908 HB2 ALA 119 1HB ALA 119 3.512 6.840 7.604 909 HB3 ALA 119 2HB ALA 119 1.887 7.523 7.507 910 H ALA 120 HN ALA 120 1.446 4.572 5.074 911 HA ALA 120 HA ALA 120 -1.318 5.431 4.986 912 HB1 ALA 120 3HB ALA 120 -1.276 4.712 2.650 913 HB2 ALA 120 1HB ALA 120 0.306 3.955 2.892 914 HB3 ALA 120 2HB ALA 120 0.137 5.710 3.013 915 H LEU 121 HN LEU 121 0.155 2.719 6.213 916 HA LEU 121 HA LEU 121 -1.814 0.800 5.161 917 HB2 LEU 121 2HB LEU 121 0.853 0.334 6.546 918 HB3 LEU 121 1HB LEU 121 -0.243 -0.938 6.009 919 HG LEU 121 HG LEU 121 1.201 1.048 4.234 920 HD11 LEU 121 1HD1 LEU 121 2.360 -0.939 3.376 921 HD12 LEU 121 2HD1 LEU 121 1.542 -1.929 4.590 922 HD13 LEU 121 3HD1 LEU 121 2.665 -0.656 5.087 923 HD21 LEU 121 3HD2 LEU 121 0.211 -0.228 2.343 924 HD22 LEU 121 1HD2 LEU 121 -0.974 0.662 3.295 925 HD23 LEU 121 2HD2 LEU 121 -0.817 -1.088 3.491 926 H ARG 122 HN ARG 122 -3.063 -0.385 6.362 927 HA ARG 122 HA ARG 122 -2.566 -0.613 9.268 928 HB2 ARG 122 2HB ARG 122 -5.016 -0.828 9.704 929 HB3 ARG 122 1HB ARG 122 -4.577 0.776 9.128 930 HG2 ARG 122 2HG ARG 122 -5.473 0.290 6.925 931 HG3 ARG 122 1HG ARG 122 -5.784 -1.386 7.379 932 HD2 ARG 122 2HD ARG 122 -7.107 0.994 8.726 933 HD3 ARG 122 1HD ARG 122 -7.814 0.110 7.371 934 HE ARG 122 HE ARG 122 -7.238 -1.070 10.033 935 HH11 ARG 122 1HH1 ARG 122 -9.216 -1.010 7.106 936 HH12 ARG 122 2HH1 ARG 122 -10.306 -2.238 7.678 937 HH21 ARG 122 1HH2 ARG 122 -8.712 -2.668 10.757 938 HH22 ARG 122 2HH2 ARG 122 -10.026 -3.156 9.733 939 H PHE 123 HN PHE 123 -2.385 -2.662 9.870 940 HA PHE 123 HA PHE 123 -2.652 -4.872 8.095 941 HB2 PHE 123 2HB PHE 123 -1.927 -6.249 9.899 942 HB3 PHE 123 1HB PHE 123 -1.134 -4.717 10.228 943 HD1 PHE 123 HD1 PHE 123 -2.404 -3.093 11.903 944 HD2 PHE 123 HD2 PHE 123 -3.162 -7.293 11.630 945 HE1 PHE 123 HE1 PHE 123 -3.443 -3.059 14.126 946 HE2 PHE 123 HE2 PHE 123 -4.189 -7.239 13.860 947 HZ PHE 123 HZ PHE 123 -4.335 -5.127 15.102 948 H VAL 124 HN VAL 124 -4.526 -6.030 7.697 949 HA VAL 124 HA VAL 124 -6.783 -5.725 9.581 950 HB VAL 124 HB VAL 124 -7.310 -6.142 6.627 951 HG11 VAL 124 1HG1 VAL 124 -9.504 -5.138 7.214 952 HG12 VAL 124 2HG1 VAL 124 -8.956 -4.924 8.877 953 HG13 VAL 124 3HG1 VAL 124 -9.145 -6.555 8.219 954 HG21 VAL 124 3HG2 VAL 124 -5.960 -4.092 6.672 955 HG22 VAL 124 1HG2 VAL 124 -7.007 -3.404 7.917 956 HG23 VAL 124 2HG2 VAL 124 -7.644 -3.716 6.298 957 HA PRO 125 HA PRO 125 -5.561 -10.135 9.640 958 HB2 PRO 125 2HB PRO 125 -7.783 -10.180 11.671 959 HB3 PRO 125 1HB PRO 125 -6.131 -10.802 11.790 960 HG2 PRO 125 2HG PRO 125 -6.839 -8.556 13.053 961 HG3 PRO 125 1HG PRO 125 -5.235 -8.718 12.307 962 HD2 PRO 125 2HD PRO 125 -7.647 -7.222 11.314 963 HD3 PRO 125 1HD PRO 125 -5.926 -6.775 11.236 964 H LYS 126 HN LYS 126 -6.549 -12.010 8.868 965 HA LYS 126 HA LYS 126 -8.567 -11.936 7.000 966 HB2 LYS 126 2HB LYS 126 -6.820 -13.736 7.314 967 HB3 LYS 126 1HB LYS 126 -7.766 -14.361 8.660 968 HG2 LYS 126 2HG LYS 126 -9.656 -14.800 7.096 969 HG3 LYS 126 1HG LYS 126 -8.655 -14.207 5.766 970 HD2 LYS 126 2HD LYS 126 -8.611 -16.638 5.798 971 HD3 LYS 126 1HD LYS 126 -7.014 -16.010 6.199 972 HE2 LYS 126 2HE LYS 126 -7.429 -16.457 8.594 973 HE3 LYS 126 1HE LYS 126 -9.049 -17.042 8.210 974 HZ1 LYS 126 3HZ LYS 126 -6.505 -18.247 7.287 975 HZ2 LYS 126 1HZ LYS 126 -8.054 -18.813 6.908 976 HZ3 LYS 126 2HZ LYS 126 -7.505 -18.849 8.506 977 H HIS 127 HN HIS 127 -8.807 -12.245 10.442 978 HA HIS 127 HA HIS 127 -11.510 -13.200 10.679 979 HB2 HIS 127 2HB HIS 127 -9.899 -13.519 12.500 980 HB3 HIS 127 1HB HIS 127 -9.656 -11.785 12.644 981 HD1 HIS 127 HD1 HIS 127 -11.267 -10.491 14.105 982 HD2 HIS 127 HD2 HIS 127 -12.415 -14.445 13.526 983 HE1 HIS 127 HE1 HIS 127 -13.157 -10.887 15.717 984 HE2 HIS 127 HE2 HIS 127 -13.759 -13.318 15.427 985 H LYS 128 HN LYS 128 -9.910 -10.056 10.582 986 HA LYS 128 HA LYS 128 -12.272 -8.518 11.284 987 HB2 LYS 128 2HB LYS 128 -10.001 -7.839 12.028 988 HB3 LYS 128 1HB LYS 128 -9.500 -7.659 10.353 989 HG2 LYS 128 2HG LYS 128 -9.944 -5.488 11.361 990 HG3 LYS 128 1HG LYS 128 -11.085 -5.808 10.052 991 HD2 LYS 128 2HD LYS 128 -12.813 -6.437 11.723 992 HD3 LYS 128 1HD LYS 128 -11.671 -6.100 13.030 993 HE2 LYS 128 2HE LYS 128 -11.545 -3.733 12.254 994 HE3 LYS 128 1HE LYS 128 -12.746 -4.102 11.013 995 HZ1 LYS 128 3HZ LYS 128 -14.289 -4.704 12.795 996 HZ2 LYS 128 1HZ LYS 128 -13.786 -3.094 12.887 997 HZ3 LYS 128 2HZ LYS 128 -13.139 -4.236 13.945 998 H LEU 129 HN LEU 129 -10.593 -9.630 8.476 999 HA LEU 129 HA LEU 129 -11.687 -7.883 6.510 1000 HB2 LEU 129 2HB LEU 129 -10.547 -10.691 6.301 1001 HB3 LEU 129 1HB LEU 129 -10.963 -9.688 4.920 1002 HG LEU 129 HG LEU 129 -8.792 -9.026 6.946 1003 HD11 LEU 129 1HD1 LEU 129 -8.506 -10.090 4.119 1004 HD12 LEU 129 2HD1 LEU 129 -8.244 -11.018 5.599 1005 HD13 LEU 129 3HD1 LEU 129 -7.193 -9.652 5.224 1006 HD21 LEU 129 3HD2 LEU 129 -9.798 -7.045 5.902 1007 HD22 LEU 129 1HD2 LEU 129 -9.456 -7.712 4.308 1008 HD23 LEU 129 2HD2 LEU 129 -8.130 -7.285 5.389 1009 H LYS 130 HN LYS 130 -12.662 -10.981 8.010 1010 HA LYS 130 HA LYS 130 -14.773 -11.656 6.245 1011 HB2 LYS 130 2HB LYS 130 -13.670 -13.260 7.810 1012 HB3 LYS 130 1HB LYS 130 -14.357 -12.392 9.178 1013 HG2 LYS 130 2HG LYS 130 -16.639 -13.003 8.414 1014 HG3 LYS 130 1HG LYS 130 -15.941 -13.875 7.045 1015 HD2 LYS 130 2HD LYS 130 -14.766 -15.391 8.654 1016 HD3 LYS 130 1HD LYS 130 -15.541 -14.538 9.991 1017 HE2 LYS 130 2HE LYS 130 -16.994 -16.095 7.818 1018 HE3 LYS 130 1HE LYS 130 -16.693 -16.656 9.461 1019 HZ1 LYS 130 3HZ LYS 130 -18.382 -14.348 8.669 1020 HZ2 LYS 130 1HZ LYS 130 -18.038 -14.783 10.266 1021 HZ3 LYS 130 2HZ LYS 130 -18.917 -15.831 9.273 1022 H GLU 131 HN GLU 131 -14.500 -9.460 8.968 1023 HA GLU 131 HA GLU 131 -17.322 -9.026 9.340 1024 HB2 GLU 131 2HB GLU 131 -15.653 -8.680 11.159 1025 HB3 GLU 131 1HB GLU 131 -14.887 -7.405 10.219 1026 HG2 GLU 131 2HG GLU 131 -17.132 -6.174 10.326 1027 HG3 GLU 131 1HG GLU 131 -17.623 -7.376 11.519 1028 H GLU 132 HN GLU 132 -14.669 -7.603 7.519 1029 HA GLU 132 HA GLU 132 -16.200 -5.213 6.778 1030 HB2 GLU 132 2HB GLU 132 -13.280 -5.982 6.459 1031 HB3 GLU 132 1HB GLU 132 -13.959 -4.533 5.727 1032 HG2 GLU 132 2HG GLU 132 -14.581 -3.730 8.018 1033 HG3 GLU 132 1HG GLU 132 -13.759 -5.141 8.694 1034 H GLY 133 HN GLY 133 -16.048 -8.277 5.448 1035 HA2 GLY 133 2HA GLY 133 -17.186 -8.595 3.333 1036 HA3 GLY 133 1HA GLY 133 -16.376 -7.185 2.699 1037 H TYR 134 HN TYR 134 -15.123 -10.055 4.398 1038 HA TYR 134 HA TYR 134 -13.022 -11.000 3.241 1039 HB2 TYR 134 2HB TYR 134 -13.905 -13.333 3.476 1040 HB3 TYR 134 1HB TYR 134 -14.258 -12.306 4.854 1041 HD1 TYR 134 HD2 TYR 134 -16.653 -11.179 4.898 1042 HD2 TYR 134 HD1 TYR 134 -15.700 -14.568 2.475 1043 HE1 TYR 134 HE2 TYR 134 -19.037 -11.705 4.697 1044 HE2 TYR 134 HE1 TYR 134 -18.098 -15.098 2.280 1045 HH TYR 134 HH TYR 134 -20.518 -12.902 3.030 1046 H GLU 135 HN GLU 135 -16.048 -11.032 1.323 1047 HA GLU 135 HA GLU 135 -15.065 -12.787 -0.711 1048 HB2 GLU 135 2HB GLU 135 -17.486 -12.447 -0.319 1049 HB3 GLU 135 1HB GLU 135 -17.349 -10.782 -0.882 1050 HG2 GLU 135 2HG GLU 135 -16.755 -11.553 -3.126 1051 HG3 GLU 135 1HG GLU 135 -16.754 -13.229 -2.581 1052 H SER 136 HN SER 136 -14.670 -9.443 -0.112 1053 HA SER 136 HA SER 136 -13.607 -8.781 -2.772 1054 HB2 SER 136 2HB SER 136 -13.820 -7.090 -0.233 1055 HB3 SER 136 1HB SER 136 -13.350 -6.499 -1.831 1056 HG SER 136 HG SER 136 -15.663 -7.762 -2.119 1057 H TYR 137 HN TYR 137 -12.618 -8.987 0.604 1058 HA TYR 137 HA TYR 137 -9.858 -8.384 0.191 1059 HB2 TYR 137 2HB TYR 137 -11.363 -9.466 2.594 1060 HB3 TYR 137 1HB TYR 137 -9.674 -8.963 2.636 1061 HD1 TYR 137 HD1 TYR 137 -9.357 -6.470 1.483 1062 HD2 TYR 137 HD2 TYR 137 -12.843 -7.875 3.498 1063 HE1 TYR 137 HE1 TYR 137 -9.968 -4.159 2.040 1064 HE2 TYR 137 HE2 TYR 137 -13.462 -5.571 4.032 1065 HH TYR 137 HH TYR 137 -12.264 -3.391 4.367 1066 H LEU 138 HN LEU 138 -11.322 -11.386 1.476 1067 HA LEU 138 HA LEU 138 -8.934 -12.892 1.521 1068 HB2 LEU 138 2HB LEU 138 -11.838 -13.658 1.840 1069 HB3 LEU 138 1HB LEU 138 -10.633 -14.925 1.720 1070 HG LEU 138 HG LEU 138 -9.506 -14.110 3.743 1071 HD11 LEU 138 1HD1 LEU 138 -10.470 -12.298 5.086 1072 HD12 LEU 138 2HD1 LEU 138 -11.641 -11.977 3.802 1073 HD13 LEU 138 3HD1 LEU 138 -9.917 -11.733 3.512 1074 HD21 LEU 138 3HD2 LEU 138 -12.491 -14.429 4.172 1075 HD22 LEU 138 1HD2 LEU 138 -11.261 -14.518 5.438 1076 HD23 LEU 138 2HD2 LEU 138 -11.288 -15.724 4.142 1077 H HIS 139 HN HIS 139 -11.174 -12.312 -1.057 1078 HA HIS 139 HA HIS 139 -10.522 -14.474 -2.760 1079 HB2 HIS 139 2HB HIS 139 -12.440 -12.947 -3.162 1080 HB3 HIS 139 1HB HIS 139 -11.326 -11.625 -3.491 1081 HD1 HIS 139 HD1 HIS 139 -11.371 -11.183 -5.934 1082 HD2 HIS 139 HD2 HIS 139 -11.561 -15.256 -5.111 1083 HE1 HIS 139 HE1 HIS 139 -11.402 -12.323 -8.173 1084 HE2 HIS 139 HE2 HIS 139 -11.657 -14.775 -7.649 1085 H LEU 140 HN LEU 140 -8.907 -11.420 -2.095 1086 HA LEU 140 HA LEU 140 -6.858 -11.764 -4.167 1087 HB2 LEU 140 2HB LEU 140 -7.228 -9.603 -2.050 1088 HB3 LEU 140 1HB LEU 140 -6.111 -9.534 -3.411 1089 HG LEU 140 HG LEU 140 -9.141 -9.670 -3.715 1090 HD11 LEU 140 1HD1 LEU 140 -8.504 -7.613 -2.587 1091 HD12 LEU 140 2HD1 LEU 140 -9.084 -7.294 -4.221 1092 HD13 LEU 140 3HD1 LEU 140 -7.351 -7.236 -3.874 1093 HD21 LEU 140 3HD2 LEU 140 -6.964 -9.050 -5.745 1094 HD22 LEU 140 1HD2 LEU 140 -8.706 -8.981 -6.043 1095 HD23 LEU 140 2HD2 LEU 140 -7.938 -10.523 -5.671 1096 H PHE 141 HN PHE 141 -7.324 -12.074 -0.721 1097 HA PHE 141 HA PHE 141 -4.589 -12.456 0.034 1098 HB2 PHE 141 2HB PHE 141 -6.247 -11.759 1.681 1099 HB3 PHE 141 1HB PHE 141 -7.201 -13.211 1.400 1100 HD1 PHE 141 HD1 PHE 141 -3.700 -12.267 2.431 1101 HD2 PHE 141 HD2 PHE 141 -7.001 -14.925 3.010 1102 HE1 PHE 141 HE1 PHE 141 -2.498 -13.380 4.260 1103 HE2 PHE 141 HE2 PHE 141 -5.783 -16.024 4.845 1104 HZ PHE 141 HZ PHE 141 -3.533 -15.256 5.466 1105 H ASN 142 HN ASN 142 -7.166 -14.626 -1.027 1106 HA ASN 142 HA ASN 142 -5.402 -16.822 -1.589 1107 HB2 ASN 142 2HB ASN 142 -5.616 -17.200 0.833 1108 HB3 ASN 142 1HB ASN 142 -7.369 -17.116 0.724 1109 HD21 ASN 142 1HD2 ASN 142 -5.166 -18.852 -1.507 1110 HD22 ASN 142 2HD2 ASN 142 -5.791 -20.418 -1.141 1111 H LYS 143 HN LYS 143 -6.219 -17.418 -3.505 1112 HA LYS 143 HA LYS 143 -9.089 -18.067 -3.754 1113 HB2 LYS 143 2HB LYS 143 -9.176 -17.128 -6.039 1114 HB3 LYS 143 1HB LYS 143 -8.780 -15.871 -4.871 1115 HG2 LYS 143 2HG LYS 143 -6.403 -16.004 -5.518 1116 HG3 LYS 143 1HG LYS 143 -6.787 -17.288 -6.672 1117 HD2 LYS 143 2HD LYS 143 -8.225 -15.713 -7.940 1118 HD3 LYS 143 1HD LYS 143 -7.846 -14.430 -6.785 1119 HE2 LYS 143 2HE LYS 143 -5.461 -14.556 -7.441 1120 HE3 LYS 143 1HE LYS 143 -5.841 -15.840 -8.590 1121 HZ1 LYS 143 3HZ LYS 143 -6.961 -13.095 -8.690 1122 HZ2 LYS 143 1HZ LYS 143 -7.200 -14.321 -9.832 1123 HZ3 LYS 143 2HZ LYS 143 -5.664 -13.648 -9.617 1124 H LEU 144 HN LEU 144 -9.473 -19.440 -5.703 1125 HA LEU 144 HA LEU 144 -7.237 -20.777 -6.938 1126 HB2 LEU 144 2HB LEU 144 -7.804 -23.038 -6.371 1127 HB3 LEU 144 1HB LEU 144 -7.628 -22.154 -4.870 1128 HG LEU 144 HG LEU 144 -10.312 -22.900 -6.113 1129 HD11 LEU 144 1HD1 LEU 144 -8.840 -24.244 -3.830 1130 HD12 LEU 144 2HD1 LEU 144 -9.095 -24.903 -5.452 1131 HD13 LEU 144 3HD1 LEU 144 -10.476 -24.627 -4.390 1132 HD21 LEU 144 3HD2 LEU 144 -11.280 -22.306 -3.928 1133 HD22 LEU 144 1HD2 LEU 144 -10.481 -20.923 -4.677 1134 HD23 LEU 144 2HD2 LEU 144 -9.693 -21.783 -3.354 1135 H GLU 145 HN GLU 145 -7.808 -21.654 -8.916 1136 HA GLU 145 HA GLU 145 -10.561 -21.164 -9.893 1137 HB2 GLU 145 2HB GLU 145 -7.963 -20.339 -11.279 1138 HB3 GLU 145 1HB GLU 145 -9.571 -20.213 -11.992 1139 HG2 GLU 145 2HG GLU 145 -10.248 -18.579 -10.330 1140 HG3 GLU 145 1HG GLU 145 -8.746 -18.795 -9.438 1141 H HIS 146 HN HIS 146 -10.887 -23.376 -9.626 1142 HA HIS 146 HA HIS 146 -9.115 -25.372 -10.678 1143 HB2 HIS 146 2HB HIS 146 -10.323 -25.847 -8.629 1144 HB3 HIS 146 1HB HIS 146 -11.874 -25.568 -9.409 1145 HD1 HIS 146 HD1 HIS 146 -13.045 -27.733 -9.701 1146 HD2 HIS 146 HD2 HIS 146 -8.942 -28.151 -10.242 1147 HE1 HIS 146 HE1 HIS 146 -12.690 -30.148 -10.298 1148 HE2 HIS 146 HE2 HIS 146 -10.200 -30.394 -10.552 1149 H HIS 147 HN HIS 147 -8.977 -25.361 -12.881 1150 HA HIS 147 HA HIS 147 -11.403 -25.683 -14.507 1151 HB2 HIS 147 2HB HIS 147 -9.666 -24.150 -15.383 1152 HB3 HIS 147 1HB HIS 147 -8.466 -25.437 -15.333 1153 HD1 HIS 147 HD1 HIS 147 -8.425 -27.076 -17.252 1154 HD2 HIS 147 HD2 HIS 147 -11.628 -24.444 -17.473 1155 HE1 HIS 147 HE1 HIS 147 -9.425 -27.436 -19.526 1156 HE2 HIS 147 HE2 HIS 147 -11.491 -25.985 -19.548 Start of MODEL 2 1 H1 MET 1 1H MET 1 -22.318 12.240 19.775 2 H2 MET 1 2H MET 1 -23.522 11.823 18.672 3 H3 MET 1 3H MET 1 -23.053 13.436 18.834 4 HA MET 1 HA MET 1 -22.133 12.484 16.833 5 HB2 MET 1 2HB MET 1 -20.062 12.999 19.015 6 HB3 MET 1 1HB MET 1 -19.716 13.008 17.290 7 HG2 MET 1 2HG MET 1 -21.100 14.955 16.957 8 HG3 MET 1 1HG MET 1 -21.679 14.892 18.624 9 HE1 MET 1 3HE MET 1 -20.486 17.513 17.228 10 HE2 MET 1 1HE MET 1 -19.418 18.155 18.479 11 HE3 MET 1 2HE MET 1 -21.008 17.532 18.912 12 H ALA 2 HN ALA 2 -21.724 10.591 15.845 13 HA ALA 2 HA ALA 2 -20.628 8.282 17.366 14 HB1 ALA 2 3HB ALA 2 -22.842 7.898 16.353 15 HB2 ALA 2 1HB ALA 2 -21.620 6.876 15.594 16 HB3 ALA 2 2HB ALA 2 -22.206 8.320 14.761 17 H TYR 3 HN TYR 3 -19.207 6.812 15.968 18 HA TYR 3 HA TYR 3 -17.048 8.379 14.893 19 HB2 TYR 3 2HB TYR 3 -17.379 5.353 15.003 20 HB3 TYR 3 1HB TYR 3 -15.892 6.205 14.588 21 HD1 TYR 3 HD2 TYR 3 -15.125 8.028 16.402 22 HD2 TYR 3 HD1 TYR 3 -17.619 4.662 17.281 23 HE1 TYR 3 HE2 TYR 3 -14.523 8.199 18.771 24 HE2 TYR 3 HE1 TYR 3 -17.014 4.843 19.656 25 HH TYR 3 HH TYR 3 -15.175 5.767 21.028 26 H ASN 4 HN ASN 4 -17.868 9.422 13.136 27 HA ASN 4 HA ASN 4 -18.991 8.019 10.852 28 HB2 ASN 4 2HB ASN 4 -18.313 10.957 11.328 29 HB3 ASN 4 1HB ASN 4 -18.990 10.361 9.817 30 HD21 ASN 4 1HD2 ASN 4 -21.141 9.619 9.789 31 HD22 ASN 4 2HD2 ASN 4 -22.262 10.047 11.032 32 H LYS 5 HN LYS 5 -18.051 7.921 8.803 33 HA LYS 5 HA LYS 5 -15.345 7.340 8.566 34 HB2 LYS 5 2HB LYS 5 -17.233 8.285 6.372 35 HB3 LYS 5 1HB LYS 5 -15.690 7.470 6.112 36 HG2 LYS 5 2HG LYS 5 -16.572 5.456 7.242 37 HG3 LYS 5 1HG LYS 5 -18.125 6.275 7.473 38 HD2 LYS 5 2HD LYS 5 -18.343 6.495 4.997 39 HD3 LYS 5 1HD LYS 5 -16.819 5.622 4.800 40 HE2 LYS 5 2HE LYS 5 -17.838 3.644 5.911 41 HE3 LYS 5 1HE LYS 5 -19.364 4.522 6.040 42 HZ1 LYS 5 3HZ LYS 5 -17.976 3.856 3.507 43 HZ2 LYS 5 1HZ LYS 5 -19.454 4.659 3.641 44 HZ3 LYS 5 2HZ LYS 5 -19.320 3.047 4.132 45 H GLU 6 HN GLU 6 -17.060 10.334 7.647 46 HA GLU 6 HA GLU 6 -14.840 11.782 6.680 47 HB2 GLU 6 2HB GLU 6 -16.237 13.823 6.950 48 HB3 GLU 6 1HB GLU 6 -17.106 12.515 6.159 49 HG2 GLU 6 2HG GLU 6 -18.343 12.026 8.192 50 HG3 GLU 6 1HG GLU 6 -17.408 13.212 9.100 51 H GLU 7 HN GLU 7 -16.239 11.627 9.947 52 HA GLU 7 HA GLU 7 -14.615 13.431 11.309 53 HB2 GLU 7 2HB GLU 7 -16.614 12.390 12.313 54 HB3 GLU 7 1HB GLU 7 -15.828 10.815 12.308 55 HG2 GLU 7 2HG GLU 7 -14.121 11.726 13.906 56 HG3 GLU 7 1HG GLU 7 -15.038 13.231 13.964 57 H LYS 8 HN LYS 8 -14.050 10.003 10.571 58 HA LYS 8 HA LYS 8 -11.641 9.746 12.136 59 HB2 LYS 8 2HB LYS 8 -12.841 7.915 10.016 60 HB3 LYS 8 1HB LYS 8 -11.421 7.509 10.968 61 HG2 LYS 8 2HG LYS 8 -14.211 7.976 12.101 62 HG3 LYS 8 1HG LYS 8 -13.481 6.404 11.791 63 HD2 LYS 8 2HD LYS 8 -13.081 6.612 14.067 64 HD3 LYS 8 1HD LYS 8 -11.581 7.275 13.424 65 HE2 LYS 8 2HE LYS 8 -12.699 9.587 13.669 66 HE3 LYS 8 1HE LYS 8 -13.944 8.775 14.615 67 HZ1 LYS 8 3HZ LYS 8 -11.049 8.716 15.236 68 HZ2 LYS 8 1HZ LYS 8 -12.307 8.100 16.184 69 HZ3 LYS 8 2HZ LYS 8 -12.169 9.768 15.945 70 H ILE 9 HN ILE 9 -12.282 9.917 8.649 71 HA ILE 9 HA ILE 9 -9.626 9.626 7.760 72 HB ILE 9 HB ILE 9 -12.061 10.778 6.309 73 HG12 ILE 9 2HG1 ILE 9 -12.435 8.454 6.993 74 HG13 ILE 9 1HG1 ILE 9 -12.193 8.495 5.251 75 HG21 ILE 9 1HG2 ILE 9 -10.028 11.526 5.156 76 HG22 ILE 9 2HG2 ILE 9 -10.863 10.312 4.183 77 HG23 ILE 9 3HG2 ILE 9 -9.417 9.868 5.097 78 HD11 ILE 9 3HD1 ILE 9 -10.185 7.640 7.332 79 HD12 ILE 9 1HD1 ILE 9 -9.871 7.732 5.596 80 HD13 ILE 9 2HD1 ILE 9 -11.073 6.602 6.218 81 H LYS 10 HN LYS 10 -11.529 12.488 8.588 82 HA LYS 10 HA LYS 10 -9.939 14.503 7.456 83 HB2 LYS 10 2HB LYS 10 -12.217 14.887 8.318 84 HB3 LYS 10 1HB LYS 10 -11.678 14.560 9.959 85 HG2 LYS 10 2HG LYS 10 -10.283 16.590 9.929 86 HG3 LYS 10 1HG LYS 10 -10.754 16.901 8.254 87 HD2 LYS 10 2HD LYS 10 -12.049 18.316 9.765 88 HD3 LYS 10 1HD LYS 10 -13.116 17.157 8.972 89 HE2 LYS 10 2HE LYS 10 -13.060 15.751 11.037 90 HE3 LYS 10 1HE LYS 10 -12.052 16.969 11.819 91 HZ1 LYS 10 3HZ LYS 10 -14.815 17.385 10.809 92 HZ2 LYS 10 1HZ LYS 10 -13.850 18.564 11.541 93 HZ3 LYS 10 2HZ LYS 10 -14.360 17.224 12.427 94 H SER 11 HN SER 11 -9.842 13.056 10.709 95 HA SER 11 HA SER 11 -7.612 14.573 11.686 96 HB2 SER 11 2HB SER 11 -8.679 11.878 12.661 97 HB3 SER 11 1HB SER 11 -7.689 13.011 13.587 98 HG SER 11 HG SER 11 -9.737 14.408 12.821 99 H LEU 12 HN LEU 12 -8.005 11.183 10.631 100 HA LEU 12 HA LEU 12 -5.567 10.098 10.763 101 HB2 LEU 12 2HB LEU 12 -7.708 9.029 10.146 102 HB3 LEU 12 1HB LEU 12 -7.636 9.806 8.573 103 HG LEU 12 HG LEU 12 -5.467 8.491 8.173 104 HD11 LEU 12 1HD1 LEU 12 -4.933 7.906 10.462 105 HD12 LEU 12 2HD1 LEU 12 -5.148 6.445 9.503 106 HD13 LEU 12 3HD1 LEU 12 -6.420 6.962 10.613 107 HD21 LEU 12 3HD2 LEU 12 -8.055 6.939 8.458 108 HD22 LEU 12 1HD2 LEU 12 -6.673 6.497 7.451 109 HD23 LEU 12 2HD2 LEU 12 -7.594 7.953 7.087 110 H ASN 13 HN ASN 13 -6.725 12.096 8.051 111 HA ASN 13 HA ASN 13 -4.616 11.468 6.238 112 HB2 ASN 13 2HB ASN 13 -6.799 13.553 6.252 113 HB3 ASN 13 1HB ASN 13 -5.501 13.683 5.072 114 HD21 ASN 13 1HD2 ASN 13 -6.924 10.606 6.232 115 HD22 ASN 13 2HD2 ASN 13 -7.586 10.177 4.697 116 H ARG 14 HN ARG 14 -4.817 13.745 8.849 117 HA ARG 14 HA ARG 14 -2.915 15.652 8.136 118 HB2 ARG 14 2HB ARG 14 -4.394 15.571 10.247 119 HB3 ARG 14 1HB ARG 14 -3.183 14.500 10.946 120 HG2 ARG 14 2HG ARG 14 -2.808 16.776 11.719 121 HG3 ARG 14 1HG ARG 14 -1.470 16.290 10.673 122 HD2 ARG 14 2HD ARG 14 -2.150 18.592 10.167 123 HD3 ARG 14 1HD ARG 14 -2.501 17.548 8.788 124 HE ARG 14 HE ARG 14 -4.499 18.604 10.713 125 HH11 ARG 14 1HH1 ARG 14 -3.827 17.255 7.517 126 HH12 ARG 14 2HH1 ARG 14 -5.422 17.574 6.917 127 HH21 ARG 14 1HH2 ARG 14 -6.578 18.985 9.905 128 HH22 ARG 14 2HH2 ARG 14 -6.977 18.562 8.269 129 H MET 15 HN MET 15 -2.515 12.375 9.304 130 HA MET 15 HA MET 15 0.397 12.464 9.447 131 HB2 MET 15 2HB MET 15 -1.450 10.054 9.750 132 HB3 MET 15 1HB MET 15 0.238 10.163 10.245 133 HG2 MET 15 2HG MET 15 -1.091 10.319 12.214 134 HG3 MET 15 1HG MET 15 -0.470 11.943 11.894 135 HE1 MET 15 3HE MET 15 -2.251 13.087 13.508 136 HE2 MET 15 1HE MET 15 -2.877 11.502 13.937 137 HE3 MET 15 2HE MET 15 -3.984 12.775 13.423 138 H GLN 16 HN GLN 16 -2.022 10.493 7.687 139 HA GLN 16 HA GLN 16 -0.104 9.112 6.118 140 HB2 GLN 16 2HB GLN 16 -3.124 9.272 5.822 141 HB3 GLN 16 1HB GLN 16 -2.088 8.157 4.926 142 HG2 GLN 16 2HG GLN 16 -1.318 7.216 7.121 143 HG3 GLN 16 1HG GLN 16 -2.534 8.218 7.919 144 HE21 GLN 16 1HE2 GLN 16 -3.411 6.204 8.696 145 HE22 GLN 16 2HE2 GLN 16 -4.410 5.244 7.696 146 H TYR 17 HN TYR 17 -2.469 11.594 5.240 147 HA TYR 17 HA TYR 17 -1.883 11.746 2.468 148 HB2 TYR 17 2HB TYR 17 -3.955 12.741 3.417 149 HB3 TYR 17 1HB TYR 17 -2.999 13.962 4.240 150 HD1 TYR 17 HD1 TYR 17 -3.852 12.706 0.807 151 HD2 TYR 17 HD2 TYR 17 -2.525 16.022 3.159 152 HE1 TYR 17 HE1 TYR 17 -4.087 14.185 -1.141 153 HE2 TYR 17 HE2 TYR 17 -2.752 17.497 1.214 154 HH TYR 17 HH TYR 17 -2.831 17.370 -1.202 155 H GLU 18 HN GLU 18 -0.566 13.658 5.221 156 HA GLU 18 HA GLU 18 1.220 15.282 3.733 157 HB2 GLU 18 2HB GLU 18 0.657 15.826 6.056 158 HB3 GLU 18 1HB GLU 18 1.417 14.345 6.630 159 HG2 GLU 18 2HG GLU 18 3.619 15.164 6.029 160 HG3 GLU 18 1HG GLU 18 2.929 16.566 5.218 161 H VAL 19 HN VAL 19 1.538 12.005 4.918 162 HA VAL 19 HA VAL 19 4.357 11.652 4.517 163 HB VAL 19 HB VAL 19 2.090 9.669 4.969 164 HG11 VAL 19 1HG1 VAL 19 3.722 7.782 4.918 165 HG12 VAL 19 2HG1 VAL 19 4.955 8.878 4.297 166 HG13 VAL 19 3HG1 VAL 19 3.529 8.506 3.324 167 HG21 VAL 19 3HG2 VAL 19 3.023 10.841 6.916 168 HG22 VAL 19 1HG2 VAL 19 4.651 10.291 6.481 169 HG23 VAL 19 2HG2 VAL 19 3.431 9.124 6.987 170 H THR 20 HN THR 20 1.554 10.501 2.583 171 HA THR 20 HA THR 20 3.106 9.549 0.423 172 HB THR 20 HB THR 20 0.794 8.765 0.874 173 HG1 THR 20 HG1 THR 20 1.740 9.529 -1.619 174 HG21 THR 20 3HG2 THR 20 -0.318 10.922 1.355 175 HG22 THR 20 1HG2 THR 20 -1.153 10.042 0.073 176 HG23 THR 20 2HG2 THR 20 -0.112 11.409 -0.328 177 H GLN 21 HN GLN 21 2.092 12.799 1.152 178 HA GLN 21 HA GLN 21 2.351 13.794 -1.581 179 HB2 GLN 21 2HB GLN 21 2.067 15.251 1.064 180 HB3 GLN 21 1HB GLN 21 2.234 16.091 -0.475 181 HG2 GLN 21 2HG GLN 21 -0.022 14.228 0.322 182 HG3 GLN 21 1HG GLN 21 -0.107 15.981 0.199 183 HE21 GLN 21 1HE2 GLN 21 -0.128 16.931 -1.882 184 HE22 GLN 21 2HE2 GLN 21 -0.507 16.008 -3.296 185 H ASN 22 HN ASN 22 4.434 13.289 1.120 186 HA ASN 22 HA ASN 22 6.745 14.572 -0.180 187 HB2 ASN 22 2HB ASN 22 6.318 14.758 2.342 188 HB3 ASN 22 1HB ASN 22 6.641 13.036 2.469 189 HD21 ASN 22 1HD2 ASN 22 8.799 12.299 2.075 190 HD22 ASN 22 2HD2 ASN 22 10.144 13.372 2.177 191 H ASN 23 HN ASN 23 5.116 11.565 -0.029 192 HA ASN 23 HA ASN 23 5.560 9.367 -0.176 193 HB2 ASN 23 2HB ASN 23 7.539 10.541 -2.149 194 HB3 ASN 23 1HB ASN 23 7.622 8.817 -1.805 195 HD21 ASN 23 1HD2 ASN 23 5.593 11.373 -3.078 196 HD22 ASN 23 2HD2 ASN 23 4.528 10.341 -3.966 197 H GLY 24 HN GLY 24 6.459 10.629 2.069 198 HA2 GLY 24 2HA GLY 24 9.179 9.863 2.735 199 HA3 GLY 24 1HA GLY 24 8.023 10.695 3.765 200 H THR 25 HN THR 25 9.462 8.912 4.969 201 HA THR 25 HA THR 25 7.813 6.465 5.238 202 HB THR 25 HB THR 25 10.054 5.832 4.523 203 HG1 THR 25 HG1 THR 25 10.332 4.291 6.022 204 HG21 THR 25 3HG2 THR 25 12.068 6.266 5.868 205 HG22 THR 25 1HG2 THR 25 11.130 7.285 6.961 206 HG23 THR 25 2HG2 THR 25 11.357 7.771 5.278 207 H GLU 26 HN GLU 26 6.742 6.249 7.056 208 HA GLU 26 HA GLU 26 7.594 7.580 9.556 209 HB2 GLU 26 2HB GLU 26 5.501 8.603 8.678 210 HB3 GLU 26 1HB GLU 26 4.765 7.013 8.521 211 HG2 GLU 26 2HG GLU 26 4.934 6.777 11.021 212 HG3 GLU 26 1HG GLU 26 5.489 8.449 11.094 213 HA PRO 27 HA PRO 27 7.975 3.275 11.005 214 HB2 PRO 27 2HB PRO 27 7.131 3.687 13.675 215 HB3 PRO 27 1HB PRO 27 8.788 3.851 13.082 216 HG2 PRO 27 2HG PRO 27 6.697 5.977 13.491 217 HG3 PRO 27 1HG PRO 27 8.434 6.032 13.864 218 HD2 PRO 27 2HD PRO 27 7.486 7.268 11.698 219 HD3 PRO 27 1HD PRO 27 9.026 6.381 11.599 220 HA PRO 28 HA PRO 28 3.578 2.073 10.594 221 HB2 PRO 28 2HB PRO 28 4.379 -0.740 10.457 222 HB3 PRO 28 1HB PRO 28 3.829 0.306 9.146 223 HG2 PRO 28 2HG PRO 28 6.414 -0.656 9.389 224 HG3 PRO 28 1HG PRO 28 5.961 0.789 8.471 225 HD2 PRO 28 2HD PRO 28 7.173 0.595 11.218 226 HD3 PRO 28 1HD PRO 28 7.478 1.773 9.921 227 H PHE 29 HN PHE 29 4.024 2.791 13.066 228 HA PHE 29 HA PHE 29 4.107 0.880 15.146 229 HB2 PHE 29 2HB PHE 29 3.371 2.705 16.624 230 HB3 PHE 29 1HB PHE 29 4.604 3.274 15.510 231 HD1 PHE 29 HD2 PHE 29 1.039 3.522 16.442 232 HD2 PHE 29 HD1 PHE 29 4.063 4.914 13.759 233 HE1 PHE 29 HE2 PHE 29 -0.435 5.357 15.730 234 HE2 PHE 29 HE1 PHE 29 2.589 6.746 13.060 235 HZ PHE 29 HZ PHE 29 0.342 6.963 14.037 236 H GLN 30 HN GLN 30 1.716 1.449 12.942 237 HA GLN 30 HA GLN 30 -0.744 0.848 13.955 238 HB2 GLN 30 2HB GLN 30 0.441 -0.524 11.498 239 HB3 GLN 30 1HB GLN 30 -1.247 -0.122 11.777 240 HG2 GLN 30 2HG GLN 30 0.921 1.968 11.436 241 HG3 GLN 30 1HG GLN 30 0.001 1.305 10.089 242 HE21 GLN 30 1HE2 GLN 30 -0.778 3.401 9.570 243 HE22 GLN 30 2HE2 GLN 30 -2.001 4.172 10.517 244 H ASN 31 HN ASN 31 2.074 -1.230 13.788 245 HA ASN 31 HA ASN 31 0.700 -3.333 15.348 246 HB2 ASN 31 2HB ASN 31 1.046 -4.139 13.021 247 HB3 ASN 31 1HB ASN 31 2.754 -3.736 13.119 248 HD21 ASN 31 1HD2 ASN 31 0.271 -5.935 14.243 249 HD22 ASN 31 2HD2 ASN 31 1.349 -7.175 14.765 250 H GLU 32 HN GLU 32 2.256 -4.563 16.705 251 HA GLU 32 HA GLU 32 4.048 -2.806 18.129 252 HB2 GLU 32 2HB GLU 32 3.321 -5.742 18.590 253 HB3 GLU 32 1HB GLU 32 4.380 -4.817 19.649 254 HG2 GLU 32 2HG GLU 32 2.240 -4.862 20.691 255 HG3 GLU 32 1HG GLU 32 2.464 -3.231 20.066 256 H TYR 33 HN TYR 33 4.462 -5.891 16.330 257 HA TYR 33 HA TYR 33 7.348 -5.861 16.754 258 HB2 TYR 33 2HB TYR 33 5.519 -7.874 15.390 259 HB3 TYR 33 1HB TYR 33 7.269 -8.076 15.496 260 HD1 TYR 33 HD2 TYR 33 8.365 -8.305 17.748 261 HD2 TYR 33 HD1 TYR 33 4.108 -8.341 17.317 262 HE1 TYR 33 HE2 TYR 33 8.147 -9.262 19.997 263 HE2 TYR 33 HE1 TYR 33 3.890 -9.310 19.567 264 HH TYR 33 HH TYR 33 6.458 -9.402 21.792 265 H TRP 34 HN TRP 34 5.169 -5.011 14.201 266 HA TRP 34 HA TRP 34 5.434 -3.745 12.363 267 HB2 TRP 34 2HB TRP 34 8.415 -3.641 12.958 268 HB3 TRP 34 1HB TRP 34 7.545 -2.593 11.844 269 HD1 TRP 34 HD1 TRP 34 5.385 -1.219 13.272 270 HE1 TRP 34 HE1 TRP 34 5.654 0.147 15.428 271 HE3 TRP 34 HE3 TRP 34 9.732 -3.285 14.966 272 HZ2 TRP 34 HZ2 TRP 34 7.463 0.307 17.590 273 HZ3 TRP 34 HZ3 TRP 34 10.675 -2.481 17.102 274 HH2 TRP 34 HH2 TRP 34 9.560 -0.715 18.384 275 H ASP 35 HN ASP 35 7.316 -6.658 12.626 276 HA ASP 35 HA ASP 35 8.409 -6.837 10.021 277 HB2 ASP 35 2HB ASP 35 7.625 -9.128 11.878 278 HB3 ASP 35 1HB ASP 35 8.736 -9.232 10.517 279 H HIS 36 HN HIS 36 5.545 -8.311 11.466 280 HA HIS 36 HA HIS 36 3.545 -8.966 10.773 281 HB2 HIS 36 2HB HIS 36 4.214 -7.520 8.194 282 HB3 HIS 36 1HB HIS 36 2.662 -8.291 8.494 283 HD1 HIS 36 HD1 HIS 36 4.648 -5.278 9.303 284 HD2 HIS 36 HD2 HIS 36 1.033 -6.966 10.459 285 HE1 HIS 36 HE1 HIS 36 3.369 -3.419 10.402 286 HE2 HIS 36 HE2 HIS 36 1.099 -4.411 10.856 287 H LYS 37 HN LYS 37 4.198 -11.042 11.059 288 HA LYS 37 HA LYS 37 4.504 -12.721 8.627 289 HB2 LYS 37 2HB LYS 37 5.410 -14.474 10.136 290 HB3 LYS 37 1HB LYS 37 6.376 -13.005 10.170 291 HG2 LYS 37 2HG LYS 37 5.305 -12.352 12.309 292 HG3 LYS 37 1HG LYS 37 4.361 -13.842 12.284 293 HD2 LYS 37 2HD LYS 37 6.341 -13.975 13.790 294 HD3 LYS 37 1HD LYS 37 6.391 -15.184 12.506 295 HE2 LYS 37 2HE LYS 37 8.600 -14.067 12.949 296 HE3 LYS 37 1HE LYS 37 8.046 -13.906 11.284 297 HZ1 LYS 37 3HZ LYS 37 7.774 -11.823 13.385 298 HZ2 LYS 37 1HZ LYS 37 7.310 -11.671 11.765 299 HZ3 LYS 37 2HZ LYS 37 8.940 -11.839 12.166 300 H GLU 38 HN GLU 38 2.231 -11.565 10.605 301 HA GLU 38 HA GLU 38 0.670 -13.978 11.098 302 HB2 GLU 38 2HB GLU 38 -0.943 -12.445 12.225 303 HB3 GLU 38 1HB GLU 38 0.679 -12.303 12.880 304 HG2 GLU 38 2HG GLU 38 -0.056 -10.333 10.739 305 HG3 GLU 38 1HG GLU 38 -0.874 -10.156 12.289 306 H GLU 39 HN GLU 39 -1.736 -13.764 10.583 307 HA GLU 39 HA GLU 39 -2.205 -13.467 7.798 308 HB2 GLU 39 2HB GLU 39 -4.611 -13.828 8.397 309 HB3 GLU 39 1HB GLU 39 -3.544 -15.019 9.131 310 HG2 GLU 39 2HG GLU 39 -3.646 -13.818 11.276 311 HG3 GLU 39 1HG GLU 39 -4.703 -12.610 10.553 312 H GLY 40 HN GLY 40 -2.662 -11.629 6.690 313 HA2 GLY 40 2HA GLY 40 -4.475 -9.675 7.624 314 HA3 GLY 40 1HA GLY 40 -2.826 -9.078 7.797 315 H LEU 41 HN LEU 41 -5.070 -8.218 6.077 316 HA LEU 41 HA LEU 41 -3.520 -8.053 3.570 317 HB2 LEU 41 2HB LEU 41 -6.361 -7.233 4.283 318 HB3 LEU 41 1HB LEU 41 -5.560 -6.643 2.830 319 HG LEU 41 HG LEU 41 -6.255 -9.542 3.458 320 HD11 LEU 41 1HD1 LEU 41 -8.131 -8.149 2.762 321 HD12 LEU 41 2HD1 LEU 41 -7.714 -9.313 1.510 322 HD13 LEU 41 3HD1 LEU 41 -7.234 -7.621 1.332 323 HD21 LEU 41 3HD2 LEU 41 -5.393 -10.075 1.206 324 HD22 LEU 41 1HD2 LEU 41 -4.112 -9.498 2.277 325 HD23 LEU 41 2HD2 LEU 41 -4.778 -8.419 1.046 326 H TYR 42 HN TYR 42 -2.504 -6.296 3.094 327 HA TYR 42 HA TYR 42 -2.338 -4.027 4.909 328 HB2 TYR 42 2HB TYR 42 -0.769 -4.960 2.499 329 HB3 TYR 42 1HB TYR 42 -0.701 -3.264 2.948 330 HD1 TYR 42 HD2 TYR 42 0.197 -6.706 4.057 331 HD2 TYR 42 HD1 TYR 42 0.516 -2.521 4.892 332 HE1 TYR 42 HE2 TYR 42 2.056 -7.141 5.605 333 HE2 TYR 42 HE1 TYR 42 2.375 -2.965 6.419 334 HH TYR 42 HH TYR 42 3.895 -6.049 6.589 335 H VAL 43 HN VAL 43 -3.849 -2.588 4.700 336 HA VAL 43 HA VAL 43 -4.797 -1.711 2.060 337 HB VAL 43 HB VAL 43 -7.077 -1.510 2.868 338 HG11 VAL 43 1HG1 VAL 43 -7.729 -3.870 3.322 339 HG12 VAL 43 2HG1 VAL 43 -6.036 -4.274 3.635 340 HG13 VAL 43 3HG1 VAL 43 -6.532 -3.745 2.028 341 HG21 VAL 43 3HG2 VAL 43 -6.699 -0.797 5.159 342 HG22 VAL 43 1HG2 VAL 43 -6.082 -2.391 5.608 343 HG23 VAL 43 2HG2 VAL 43 -7.785 -2.187 5.170 344 H ASP 44 HN ASP 44 -5.074 0.539 1.934 345 HA ASP 44 HA ASP 44 -3.766 2.182 3.924 346 HB2 ASP 44 2HB ASP 44 -4.530 4.088 2.438 347 HB3 ASP 44 1HB ASP 44 -3.550 2.881 1.619 348 H ILE 45 HN ILE 45 -4.782 2.986 5.686 349 HA ILE 45 HA ILE 45 -7.505 2.535 6.272 350 HB ILE 45 HB ILE 45 -5.945 4.752 7.647 351 HG12 ILE 45 2HG1 ILE 45 -5.671 1.785 8.275 352 HG13 ILE 45 1HG1 ILE 45 -4.450 2.754 7.461 353 HG21 ILE 45 1HG2 ILE 45 -7.237 4.072 9.649 354 HG22 ILE 45 2HG2 ILE 45 -8.035 2.802 8.715 355 HG23 ILE 45 3HG2 ILE 45 -8.311 4.498 8.313 356 HD11 ILE 45 3HD1 ILE 45 -3.862 2.442 9.772 357 HD12 ILE 45 1HD1 ILE 45 -5.409 3.110 10.300 358 HD13 ILE 45 2HD1 ILE 45 -4.232 4.141 9.482 359 H VAL 46 HN VAL 46 -5.931 5.303 4.710 360 HA VAL 46 HA VAL 46 -7.853 7.287 4.874 361 HB VAL 46 HB VAL 46 -7.070 8.163 2.616 362 HG11 VAL 46 1HG1 VAL 46 -4.921 7.534 4.641 363 HG12 VAL 46 2HG1 VAL 46 -6.025 8.902 4.682 364 HG13 VAL 46 3HG1 VAL 46 -4.824 8.779 3.396 365 HG21 VAL 46 3HG2 VAL 46 -5.127 7.121 1.516 366 HG22 VAL 46 1HG2 VAL 46 -6.498 6.009 1.530 367 HG23 VAL 46 2HG2 VAL 46 -5.170 5.782 2.670 368 H SER 47 HN SER 47 -8.021 4.494 2.666 369 HA SER 47 HA SER 47 -10.810 5.237 2.025 370 HB2 SER 47 2HB SER 47 -9.294 6.130 0.219 371 HB3 SER 47 1HB SER 47 -8.777 4.481 -0.123 372 HG SER 47 HG SER 47 -11.108 4.069 -0.488 373 H GLY 48 HN GLY 48 -8.754 2.951 3.154 374 HA2 GLY 48 2HA GLY 48 -9.016 0.753 3.780 375 HA3 GLY 48 1HA GLY 48 -10.723 0.947 3.410 376 H LYS 49 HN LYS 49 -7.956 1.143 1.149 377 HA LYS 49 HA LYS 49 -9.395 -0.656 -0.685 378 HB2 LYS 49 2HB LYS 49 -6.814 0.858 -1.221 379 HB3 LYS 49 1HB LYS 49 -7.931 0.201 -2.416 380 HG2 LYS 49 2HG LYS 49 -8.547 2.474 -0.508 381 HG3 LYS 49 1HG LYS 49 -8.010 2.682 -2.177 382 HD2 LYS 49 2HD LYS 49 -10.568 1.276 -1.319 383 HD3 LYS 49 1HD LYS 49 -10.467 2.940 -1.896 384 HE2 LYS 49 2HE LYS 49 -9.828 0.429 -3.467 385 HE3 LYS 49 1HE LYS 49 -11.188 1.530 -3.710 386 HZ1 LYS 49 3HZ LYS 49 -8.321 2.204 -4.086 387 HZ2 LYS 49 1HZ LYS 49 -9.616 3.271 -4.299 388 HZ3 LYS 49 2HZ LYS 49 -9.444 1.936 -5.307 389 HA PRO 50 HA PRO 50 -6.457 -3.998 0.272 390 HB2 PRO 50 2HB PRO 50 -7.110 -5.790 -1.662 391 HB3 PRO 50 1HB PRO 50 -8.199 -5.449 -0.311 392 HG2 PRO 50 2HG PRO 50 -8.299 -4.394 -3.136 393 HG3 PRO 50 1HG PRO 50 -9.631 -4.978 -2.116 394 HD2 PRO 50 2HD PRO 50 -9.030 -2.297 -2.460 395 HD3 PRO 50 1HD PRO 50 -9.839 -2.943 -1.016 396 H LEU 51 HN LEU 51 -4.321 -3.795 -0.150 397 HA LEU 51 HA LEU 51 -3.439 -2.911 -2.848 398 HB2 LEU 51 2HB LEU 51 -2.043 -2.412 -0.199 399 HB3 LEU 51 1HB LEU 51 -1.630 -1.708 -1.761 400 HG LEU 51 HG LEU 51 -4.134 -1.156 -0.121 401 HD11 LEU 51 1HD1 LEU 51 -1.803 0.643 -0.798 402 HD12 LEU 51 2HD1 LEU 51 -2.168 -0.085 0.770 403 HD13 LEU 51 3HD1 LEU 51 -3.265 1.108 0.084 404 HD21 LEU 51 3HD2 LEU 51 -3.433 -0.081 -2.879 405 HD22 LEU 51 1HD2 LEU 51 -4.752 0.506 -1.861 406 HD23 LEU 51 2HD2 LEU 51 -4.777 -1.147 -2.468 407 H PHE 52 HN PHE 52 -2.599 -4.999 -0.120 408 HA PHE 52 HA PHE 52 -1.633 -7.093 -1.713 409 HB2 PHE 52 2HB PHE 52 0.767 -7.158 -1.147 410 HB3 PHE 52 1HB PHE 52 0.388 -5.735 -2.096 411 HD1 PHE 52 HD2 PHE 52 0.036 -3.491 -0.742 412 HD2 PHE 52 HD1 PHE 52 2.055 -6.931 0.818 413 HE1 PHE 52 HE2 PHE 52 1.251 -2.062 0.843 414 HE2 PHE 52 HE1 PHE 52 3.276 -5.490 2.393 415 HZ PHE 52 HZ PHE 52 2.882 -3.056 2.399 416 H THR 53 HN THR 53 -0.283 -8.677 -0.144 417 HA THR 53 HA THR 53 -1.854 -8.810 2.372 418 HB THR 53 HB THR 53 -2.482 -10.595 0.836 419 HG1 THR 53 HG1 THR 53 -2.555 -11.236 2.931 420 HG21 THR 53 3HG2 THR 53 -0.407 -10.778 -0.516 421 HG22 THR 53 1HG2 THR 53 -0.899 -12.355 0.108 422 HG23 THR 53 2HG2 THR 53 0.438 -11.485 0.864 423 H SER 54 HN SER 54 -0.894 -9.449 4.255 424 HA SER 54 HA SER 54 1.873 -9.030 4.764 425 HB2 SER 54 2HB SER 54 0.052 -8.670 6.455 426 HB3 SER 54 1HB SER 54 -0.217 -10.411 6.512 427 HG SER 54 HG SER 54 2.169 -10.431 7.082 428 H LYS 55 HN LYS 55 0.046 -11.773 3.727 429 HA LYS 55 HA LYS 55 1.596 -13.961 4.526 430 HB2 LYS 55 2HB LYS 55 -0.614 -14.218 3.515 431 HB3 LYS 55 1HB LYS 55 -0.052 -13.510 2.005 432 HG2 LYS 55 2HG LYS 55 1.447 -15.462 1.669 433 HG3 LYS 55 1HG LYS 55 0.833 -16.170 3.167 434 HD2 LYS 55 2HD LYS 55 -1.416 -16.334 2.209 435 HD3 LYS 55 1HD LYS 55 -0.883 -15.524 0.733 436 HE2 LYS 55 2HE LYS 55 0.629 -17.429 0.247 437 HE3 LYS 55 1HE LYS 55 0.099 -18.226 1.729 438 HZ1 LYS 55 3HZ LYS 55 -1.030 -19.055 -0.249 439 HZ2 LYS 55 1HZ LYS 55 -1.669 -17.519 -0.541 440 HZ3 LYS 55 2HZ LYS 55 -2.116 -18.369 0.853 441 H ASP 56 HN ASP 56 2.094 -11.642 1.906 442 HA ASP 56 HA ASP 56 4.619 -13.007 1.135 443 HB2 ASP 56 2HB ASP 56 2.670 -12.911 -0.594 444 HB3 ASP 56 1HB ASP 56 3.014 -11.189 -0.708 445 H LYS 57 HN LYS 57 4.245 -11.131 3.284 446 HA LYS 57 HA LYS 57 5.324 -8.572 2.572 447 HB2 LYS 57 2HB LYS 57 3.985 -8.774 4.586 448 HB3 LYS 57 1HB LYS 57 5.014 -10.046 5.223 449 HG2 LYS 57 2HG LYS 57 5.382 -7.973 6.432 450 HG3 LYS 57 1HG LYS 57 6.841 -8.415 5.539 451 HD2 LYS 57 2HD LYS 57 6.336 -6.739 3.821 452 HD3 LYS 57 1HD LYS 57 4.797 -6.356 4.610 453 HE2 LYS 57 2HE LYS 57 6.530 -4.674 5.138 454 HE3 LYS 57 1HE LYS 57 5.999 -5.519 6.589 455 HZ1 LYS 57 3HZ LYS 57 8.427 -5.194 6.431 456 HZ2 LYS 57 1HZ LYS 57 8.461 -6.201 5.076 457 HZ3 LYS 57 2HZ LYS 57 7.979 -6.817 6.575 458 H PHE 58 HN PHE 58 7.351 -8.201 2.008 459 HA PHE 58 HA PHE 58 9.570 -9.952 2.884 460 HB2 PHE 58 2HB PHE 58 9.229 -9.648 0.395 461 HB3 PHE 58 1HB PHE 58 9.495 -7.922 0.592 462 HD1 PHE 58 HD2 PHE 58 11.182 -11.224 1.242 463 HD2 PHE 58 HD1 PHE 58 11.686 -7.085 0.280 464 HE1 PHE 58 HE2 PHE 58 13.585 -11.589 0.896 465 HE2 PHE 58 HE1 PHE 58 14.084 -7.474 -0.072 466 HZ PHE 58 HZ PHE 58 15.041 -9.719 0.234 467 H ASP 59 HN ASP 59 11.367 -9.014 3.849 468 HA ASP 59 HA ASP 59 10.926 -6.780 5.568 469 HB2 ASP 59 2HB ASP 59 13.316 -7.175 6.270 470 HB3 ASP 59 1HB ASP 59 12.311 -8.622 6.340 471 H SER 60 HN SER 60 12.147 -4.790 5.673 472 HA SER 60 HA SER 60 13.638 -3.873 3.341 473 HB2 SER 60 2HB SER 60 11.275 -3.501 2.656 474 HB3 SER 60 1HB SER 60 10.991 -2.550 4.110 475 HG SER 60 HG SER 60 11.430 -1.241 2.295 476 H GLN 61 HN GLN 61 15.305 -2.801 4.167 477 HA GLN 61 HA GLN 61 15.404 -1.646 6.801 478 HB2 GLN 61 2HB GLN 61 17.693 -1.023 6.234 479 HB3 GLN 61 1HB GLN 61 17.380 -2.654 5.643 480 HG2 GLN 61 2HG GLN 61 16.969 -1.685 3.359 481 HG3 GLN 61 1HG GLN 61 17.460 -0.112 3.981 482 HE21 GLN 61 1HE2 GLN 61 19.680 0.215 4.501 483 HE22 GLN 61 2HE2 GLN 61 20.909 -0.843 3.902 484 H CYS 62 HN CYS 62 14.050 -0.555 3.953 485 HA CYS 62 HA CYS 62 14.587 2.288 4.192 486 HB2 CYS 62 2HB CYS 62 12.696 0.754 2.363 487 HB3 CYS 62 1HB CYS 62 13.204 2.431 2.167 488 HG CYS 62 HG CYS 62 16.007 1.367 2.066 489 H GLY 63 HN GLY 63 12.469 0.135 5.719 490 HA2 GLY 63 2HA GLY 63 10.789 0.606 7.273 491 HA3 GLY 63 1HA GLY 63 10.737 2.273 6.716 492 H TRP 64 HN TRP 64 10.209 2.044 4.047 493 HA TRP 64 HA TRP 64 7.486 1.490 3.765 494 HB2 TRP 64 2HB TRP 64 9.608 1.556 1.574 495 HB3 TRP 64 1HB TRP 64 7.869 1.635 1.307 496 HD1 TRP 64 HD1 TRP 64 6.685 3.929 2.602 497 HE1 TRP 64 HE1 TRP 64 7.558 6.330 2.469 498 HE3 TRP 64 HE3 TRP 64 11.530 2.953 1.352 499 HZ2 TRP 64 HZ2 TRP 64 9.997 7.654 1.940 500 HZ3 TRP 64 HZ3 TRP 64 13.088 4.839 1.064 501 HH2 TRP 64 HH2 TRP 64 12.330 7.148 1.352 502 HA PRO 65 HA PRO 65 7.711 -3.074 3.821 503 HB2 PRO 65 2HB PRO 65 5.103 -3.493 2.871 504 HB3 PRO 65 1HB PRO 65 5.537 -3.215 4.560 505 HG2 PRO 65 2HG PRO 65 4.560 -1.240 2.510 506 HG3 PRO 65 1HG PRO 65 4.073 -1.423 4.209 507 HD2 PRO 65 2HD PRO 65 5.758 0.513 3.499 508 HD3 PRO 65 1HD PRO 65 6.029 -0.386 5.013 509 H SER 66 HN SER 66 8.923 -4.009 2.296 510 HA SER 66 HA SER 66 8.439 -3.632 -0.552 511 HB2 SER 66 2HB SER 66 10.590 -5.181 0.944 512 HB3 SER 66 1HB SER 66 10.520 -5.007 -0.813 513 HG SER 66 HG SER 66 10.302 -2.592 0.345 514 H PHE 67 HN PHE 67 7.735 -5.191 -1.908 515 HA PHE 67 HA PHE 67 7.321 -7.934 -1.161 516 HB2 PHE 67 2HB PHE 67 4.856 -7.934 -1.544 517 HB3 PHE 67 1HB PHE 67 5.311 -7.002 -0.126 518 HD1 PHE 67 HD2 PHE 67 5.303 -4.485 -0.237 519 HD2 PHE 67 HD1 PHE 67 3.657 -6.875 -3.377 520 HE1 PHE 67 HE2 PHE 67 4.056 -2.556 -1.063 521 HE2 PHE 67 HE1 PHE 67 2.424 -4.920 -4.198 522 HZ PHE 67 HZ PHE 67 2.611 -2.761 -3.044 523 H THR 68 HN THR 68 6.041 -9.041 -3.081 524 HA THR 68 HA THR 68 7.623 -8.314 -5.447 525 HB THR 68 HB THR 68 6.204 -10.944 -4.810 526 HG1 THR 68 HG1 THR 68 8.593 -9.826 -3.902 527 HG21 THR 68 3HG2 THR 68 7.814 -11.919 -6.394 528 HG22 THR 68 1HG2 THR 68 8.526 -10.322 -6.671 529 HG23 THR 68 2HG2 THR 68 6.874 -10.655 -7.191 530 H LYS 69 HN LYS 69 4.246 -8.766 -4.450 531 HA LYS 69 HA LYS 69 3.304 -8.242 -7.191 532 HB2 LYS 69 2HB LYS 69 3.327 -10.722 -6.934 533 HB3 LYS 69 1HB LYS 69 2.322 -10.588 -5.497 534 HG2 LYS 69 2HG LYS 69 0.940 -11.257 -7.374 535 HG3 LYS 69 1HG LYS 69 0.491 -9.619 -6.893 536 HD2 LYS 69 2HD LYS 69 1.833 -8.703 -8.781 537 HD3 LYS 69 1HD LYS 69 2.290 -10.340 -9.256 538 HE2 LYS 69 2HE LYS 69 0.487 -9.517 -10.687 539 HE3 LYS 69 1HE LYS 69 -0.106 -10.852 -9.701 540 HZ1 LYS 69 3HZ LYS 69 -1.682 -9.015 -9.812 541 HZ2 LYS 69 1HZ LYS 69 -0.538 -7.968 -9.132 542 HZ3 LYS 69 2HZ LYS 69 -1.150 -9.258 -8.226 543 HA PRO 70 HA PRO 70 0.462 -5.837 -4.524 544 HB2 PRO 70 2HB PRO 70 -0.236 -3.973 -6.322 545 HB3 PRO 70 1HB PRO 70 1.400 -3.970 -5.636 546 HG2 PRO 70 2HG PRO 70 0.467 -5.076 -8.293 547 HG3 PRO 70 1HG PRO 70 1.872 -4.041 -7.954 548 HD2 PRO 70 2HD PRO 70 2.051 -6.789 -8.205 549 HD3 PRO 70 1HD PRO 70 3.167 -5.823 -7.214 550 H ILE 71 HN ILE 71 -1.832 -5.118 -4.951 551 HA ILE 71 HA ILE 71 -3.373 -7.164 -6.377 552 HB ILE 71 HB ILE 71 -4.226 -5.028 -4.372 553 HG12 ILE 71 2HG1 ILE 71 -4.150 -8.082 -4.185 554 HG13 ILE 71 1HG1 ILE 71 -3.000 -6.984 -3.434 555 HG21 ILE 71 1HG2 ILE 71 -6.019 -7.060 -5.771 556 HG22 ILE 71 2HG2 ILE 71 -6.045 -5.314 -6.028 557 HG23 ILE 71 3HG2 ILE 71 -6.512 -5.979 -4.463 558 HD11 ILE 71 3HD1 ILE 71 -4.774 -6.109 -2.006 559 HD12 ILE 71 1HD1 ILE 71 -4.562 -7.848 -1.816 560 HD13 ILE 71 2HD1 ILE 71 -5.921 -7.224 -2.747 561 H GLU 72 HN GLU 72 -3.600 -6.729 -8.424 562 HA GLU 72 HA GLU 72 -2.853 -4.253 -9.628 563 HB2 GLU 72 2HB GLU 72 -3.361 -5.421 -11.784 564 HB3 GLU 72 1HB GLU 72 -2.300 -6.333 -10.715 565 HG2 GLU 72 2HG GLU 72 -4.345 -7.644 -9.973 566 HG3 GLU 72 1HG GLU 72 -5.234 -6.866 -11.285 567 H GLU 73 HN GLU 73 -5.794 -5.402 -8.463 568 HA GLU 73 HA GLU 73 -7.700 -4.137 -10.121 569 HB2 GLU 73 2HB GLU 73 -8.169 -5.921 -8.373 570 HB3 GLU 73 1HB GLU 73 -7.896 -4.706 -7.130 571 HG2 GLU 73 2HG GLU 73 -10.264 -4.961 -7.439 572 HG3 GLU 73 1HG GLU 73 -9.785 -3.381 -8.043 573 H GLU 74 HN GLU 74 -5.858 -3.060 -7.229 574 HA GLU 74 HA GLU 74 -7.035 -0.335 -7.471 575 HB2 GLU 74 2HB GLU 74 -5.942 -1.656 -4.944 576 HB3 GLU 74 1HB GLU 74 -6.650 -0.044 -5.048 577 HG2 GLU 74 2HG GLU 74 -8.045 -2.702 -5.416 578 HG3 GLU 74 1HG GLU 74 -8.296 -1.531 -4.122 579 H VAL 75 HN VAL 75 -4.241 -1.866 -8.232 580 HA VAL 75 HA VAL 75 -2.503 0.426 -7.516 581 HB VAL 75 HB VAL 75 -1.691 -2.522 -7.708 582 HG11 VAL 75 1HG1 VAL 75 0.573 -1.748 -7.015 583 HG12 VAL 75 2HG1 VAL 75 0.031 -0.073 -7.124 584 HG13 VAL 75 3HG1 VAL 75 0.103 -1.071 -8.576 585 HG21 VAL 75 3HG2 VAL 75 -2.865 -2.028 -5.589 586 HG22 VAL 75 1HG2 VAL 75 -1.772 -0.672 -5.282 587 HG23 VAL 75 2HG2 VAL 75 -1.152 -2.325 -5.287 588 H GLU 76 HN GLU 76 -1.411 1.314 -9.122 589 HA GLU 76 HA GLU 76 -1.360 0.111 -11.844 590 HB2 GLU 76 2HB GLU 76 -1.847 3.044 -11.118 591 HB3 GLU 76 1HB GLU 76 -1.482 2.490 -12.748 592 HG2 GLU 76 2HG GLU 76 -3.570 1.169 -12.752 593 HG3 GLU 76 1HG GLU 76 -3.939 1.764 -11.130 594 H GLU 77 HN GLU 77 0.692 -0.067 -12.638 595 HA GLU 77 HA GLU 77 2.927 1.292 -11.323 596 HB2 GLU 77 2HB GLU 77 2.834 -0.861 -13.494 597 HB3 GLU 77 1HB GLU 77 4.324 -0.052 -13.022 598 HG2 GLU 77 2HG GLU 77 4.205 -2.186 -11.900 599 HG3 GLU 77 1HG GLU 77 4.047 -0.894 -10.710 600 H LYS 78 HN LYS 78 3.416 3.246 -12.030 601 HA LYS 78 HA LYS 78 2.826 4.065 -14.806 602 HB2 LYS 78 2HB LYS 78 1.084 4.850 -13.150 603 HB3 LYS 78 1HB LYS 78 2.337 5.704 -12.260 604 HG2 LYS 78 2HG LYS 78 2.700 7.228 -14.094 605 HG3 LYS 78 1HG LYS 78 1.659 6.287 -15.163 606 HD2 LYS 78 2HD LYS 78 0.664 7.698 -12.649 607 HD3 LYS 78 1HD LYS 78 0.630 8.412 -14.259 608 HE2 LYS 78 2HE LYS 78 -1.564 7.545 -13.837 609 HE3 LYS 78 1HE LYS 78 -0.817 6.464 -15.006 610 HZ1 LYS 78 3HZ LYS 78 -2.051 5.325 -13.240 611 HZ2 LYS 78 1HZ LYS 78 -0.984 5.940 -12.089 612 HZ3 LYS 78 2HZ LYS 78 -0.429 4.873 -13.276 613 H LEU 79 HN LEU 79 4.844 4.316 -15.650 614 HA LEU 79 HA LEU 79 7.169 4.630 -14.043 615 HB2 LEU 79 2HB LEU 79 7.090 3.373 -16.193 616 HB3 LEU 79 1HB LEU 79 6.814 4.878 -17.054 617 HG LEU 79 HG LEU 79 9.069 5.690 -16.390 618 HD11 LEU 79 1HD1 LEU 79 9.446 2.977 -15.105 619 HD12 LEU 79 2HD1 LEU 79 9.271 4.518 -14.259 620 HD13 LEU 79 3HD1 LEU 79 10.670 4.238 -15.287 621 HD21 LEU 79 3HD2 LEU 79 8.816 4.479 -18.526 622 HD22 LEU 79 1HD2 LEU 79 9.194 2.958 -17.711 623 HD23 LEU 79 2HD2 LEU 79 10.411 4.233 -17.818 624 H ASP 80 HN ASP 80 8.595 6.395 -13.872 625 HA ASP 80 HA ASP 80 7.496 9.072 -14.522 626 HB2 ASP 80 2HB ASP 80 7.358 8.682 -12.078 627 HB3 ASP 80 1HB ASP 80 9.047 8.202 -12.021 628 H THR 81 HN THR 81 8.962 10.559 -15.219 629 HA THR 81 HA THR 81 11.831 9.990 -15.320 630 HB THR 81 HB THR 81 10.920 9.253 -17.510 631 HG1 THR 81 HG1 THR 81 12.401 11.677 -17.721 632 HG21 THR 81 3HG2 THR 81 8.940 10.733 -17.671 633 HG22 THR 81 1HG2 THR 81 9.958 10.867 -19.107 634 HG23 THR 81 2HG2 THR 81 9.998 12.131 -17.877 635 H SER 82 HN SER 82 9.466 11.927 -14.248 636 HA SER 82 HA SER 82 10.243 14.567 -15.025 637 HB2 SER 82 2HB SER 82 8.511 13.637 -12.698 638 HB3 SER 82 1HB SER 82 8.664 15.307 -13.242 639 HG SER 82 HG SER 82 7.124 13.312 -14.215 640 H HIS 83 HN HIS 83 11.210 12.390 -12.463 641 HA HIS 83 HA HIS 83 12.658 14.345 -10.886 642 HB2 HIS 83 2HB HIS 83 12.733 11.292 -10.888 643 HB3 HIS 83 1HB HIS 83 13.618 12.295 -9.740 644 HD1 HIS 83 HD1 HIS 83 10.459 10.599 -10.118 645 HD2 HIS 83 HD2 HIS 83 11.762 14.023 -8.175 646 HE1 HIS 83 HE1 HIS 83 8.679 11.119 -8.431 647 HE2 HIS 83 HE2 HIS 83 9.406 13.294 -7.395 648 H GLY 84 HN GLY 84 13.254 13.303 -13.938 649 HA2 GLY 84 2HA GLY 84 15.100 13.600 -15.285 650 HA3 GLY 84 1HA GLY 84 16.087 13.931 -13.869 651 H MET 85 HN MET 85 14.192 11.120 -13.612 652 HA MET 85 HA MET 85 16.168 9.280 -14.681 653 HB2 MET 85 2HB MET 85 17.086 9.715 -12.454 654 HB3 MET 85 1HB MET 85 15.523 9.431 -11.697 655 HG2 MET 85 2HG MET 85 17.112 7.537 -11.422 656 HG3 MET 85 1HG MET 85 15.626 7.070 -12.251 657 HE1 MET 85 3HE MET 85 16.581 4.857 -13.289 658 HE2 MET 85 1HE MET 85 18.095 5.093 -12.399 659 HE3 MET 85 2HE MET 85 18.122 4.745 -14.128 660 H ILE 86 HN ILE 86 15.278 7.405 -15.300 661 HA ILE 86 HA ILE 86 12.470 6.888 -15.241 662 HB ILE 86 HB ILE 86 14.890 5.264 -16.109 663 HG12 ILE 86 2HG1 ILE 86 14.243 7.149 -17.571 664 HG13 ILE 86 1HG1 ILE 86 13.986 5.614 -18.389 665 HG21 ILE 86 1HG2 ILE 86 13.295 3.588 -15.318 666 HG22 ILE 86 2HG2 ILE 86 13.411 3.530 -17.076 667 HG23 ILE 86 3HG2 ILE 86 12.019 4.296 -16.309 668 HD11 ILE 86 3HD1 ILE 86 12.196 7.177 -18.834 669 HD12 ILE 86 1HD1 ILE 86 11.846 7.312 -17.112 670 HD13 ILE 86 2HD1 ILE 86 11.590 5.778 -17.950 671 H ARG 87 HN ARG 87 11.441 6.352 -13.448 672 HA ARG 87 HA ARG 87 12.197 4.110 -11.786 673 HB2 ARG 87 2HB ARG 87 13.471 6.122 -10.825 674 HB3 ARG 87 1HB ARG 87 11.924 6.880 -10.492 675 HG2 ARG 87 2HG ARG 87 12.630 4.178 -9.304 676 HG3 ARG 87 1HG ARG 87 13.197 5.671 -8.559 677 HD2 ARG 87 2HD ARG 87 10.289 4.910 -9.017 678 HD3 ARG 87 1HD ARG 87 11.146 4.839 -7.475 679 HE ARG 87 HE ARG 87 11.461 7.348 -7.807 680 HH11 ARG 87 1HH1 ARG 87 8.672 5.689 -9.121 681 HH12 ARG 87 2HH1 ARG 87 7.609 7.040 -8.892 682 HH21 ARG 87 1HH2 ARG 87 10.041 9.104 -7.525 683 HH22 ARG 87 2HH2 ARG 87 8.369 8.950 -7.963 684 H THR 88 HN THR 88 10.276 3.140 -11.120 685 HA THR 88 HA THR 88 7.934 4.233 -12.484 686 HB THR 88 HB THR 88 8.273 1.498 -11.165 687 HG1 THR 88 HG1 THR 88 9.587 1.223 -12.786 688 HG21 THR 88 3HG2 THR 88 6.238 2.458 -13.216 689 HG22 THR 88 1HG2 THR 88 5.900 2.103 -11.520 690 HG23 THR 88 2HG2 THR 88 6.388 0.806 -12.611 691 H GLU 89 HN GLU 89 6.128 4.947 -11.416 692 HA GLU 89 HA GLU 89 6.048 5.022 -8.480 693 HB2 GLU 89 2HB GLU 89 5.560 7.039 -10.148 694 HB3 GLU 89 1HB GLU 89 3.991 6.279 -10.357 695 HG2 GLU 89 2HG GLU 89 3.628 7.932 -8.728 696 HG3 GLU 89 1HG GLU 89 3.760 6.445 -7.787 697 H VAL 90 HN VAL 90 4.074 4.232 -7.401 698 HA VAL 90 HA VAL 90 2.155 2.791 -9.123 699 HB VAL 90 HB VAL 90 1.549 1.307 -7.168 700 HG11 VAL 90 1HG1 VAL 90 4.359 0.993 -8.278 701 HG12 VAL 90 2HG1 VAL 90 2.860 0.432 -9.033 702 HG13 VAL 90 3HG1 VAL 90 3.404 -0.285 -7.516 703 HG21 VAL 90 3HG2 VAL 90 3.198 0.936 -5.373 704 HG22 VAL 90 1HG2 VAL 90 2.568 2.582 -5.329 705 HG23 VAL 90 2HG2 VAL 90 4.178 2.275 -5.981 706 H ARG 91 HN ARG 91 0.390 3.877 -9.237 707 HA ARG 91 HA ARG 91 -1.059 4.849 -7.013 708 HB2 ARG 91 2HB ARG 91 -1.017 7.289 -7.621 709 HB3 ARG 91 1HB ARG 91 0.491 6.675 -6.977 710 HG2 ARG 91 2HG ARG 91 1.308 7.999 -8.671 711 HG3 ARG 91 1HG ARG 91 1.165 6.474 -9.542 712 HD2 ARG 91 2HD ARG 91 0.323 8.418 -10.854 713 HD3 ARG 91 1HD ARG 91 -0.936 7.220 -10.553 714 HE ARG 91 HE ARG 91 -2.052 8.710 -9.203 715 HH11 ARG 91 1HH1 ARG 91 1.092 10.112 -9.995 716 HH12 ARG 91 2HH1 ARG 91 0.676 11.672 -9.366 717 HH21 ARG 91 1HH2 ARG 91 -2.557 10.760 -8.404 718 HH22 ARG 91 2HH2 ARG 91 -1.381 12.034 -8.467 719 H SER 92 HN SER 92 -3.159 4.570 -7.571 720 HA SER 92 HA SER 92 -3.979 4.614 -10.377 721 HB2 SER 92 2HB SER 92 -4.960 2.909 -8.871 722 HB3 SER 92 1HB SER 92 -5.646 4.182 -7.870 723 HG SER 92 HG SER 92 -6.319 3.439 -10.498 724 H ARG 93 HN ARG 93 -6.144 5.878 -10.732 725 HA ARG 93 HA ARG 93 -5.191 8.633 -10.533 726 HB2 ARG 93 2HB ARG 93 -7.076 7.199 -12.415 727 HB3 ARG 93 1HB ARG 93 -6.857 8.944 -12.471 728 HG2 ARG 93 2HG ARG 93 -4.642 8.794 -13.223 729 HG3 ARG 93 1HG ARG 93 -4.430 7.143 -12.635 730 HD2 ARG 93 2HD ARG 93 -6.293 7.860 -14.926 731 HD3 ARG 93 1HD ARG 93 -4.599 7.405 -15.149 732 HE ARG 93 HE ARG 93 -5.913 5.463 -13.561 733 HH11 ARG 93 1HH1 ARG 93 -5.714 6.496 -16.913 734 HH12 ARG 93 2HH1 ARG 93 -6.058 4.916 -17.532 735 HH21 ARG 93 1HH2 ARG 93 -6.301 3.410 -14.373 736 HH22 ARG 93 2HH2 ARG 93 -6.405 3.157 -16.087 737 H THR 94 HN THR 94 -7.919 6.726 -9.344 738 HA THR 94 HA THR 94 -9.585 9.063 -8.874 739 HB THR 94 HB THR 94 -9.988 6.218 -7.829 740 HG1 THR 94 HG1 THR 94 -10.590 7.380 -10.361 741 HG21 THR 94 3HG2 THR 94 -11.446 7.913 -6.760 742 HG22 THR 94 1HG2 THR 94 -12.386 6.837 -7.797 743 HG23 THR 94 2HG2 THR 94 -11.982 8.462 -8.352 744 H ALA 95 HN ALA 95 -8.303 6.546 -6.634 745 HA ALA 95 HA ALA 95 -8.194 8.579 -4.457 746 HB1 ALA 95 3HB ALA 95 -8.878 5.623 -4.221 747 HB2 ALA 95 1HB ALA 95 -10.034 6.957 -4.150 748 HB3 ALA 95 2HB ALA 95 -8.810 6.786 -2.891 749 H ASP 96 HN ASP 96 -6.613 5.830 -5.980 750 HA ASP 96 HA ASP 96 -4.869 5.265 -3.764 751 HB2 ASP 96 2HB ASP 96 -4.798 3.998 -6.499 752 HB3 ASP 96 1HB ASP 96 -4.067 3.377 -5.028 753 H SER 97 HN SER 97 -4.519 7.857 -5.427 754 HA SER 97 HA SER 97 -1.826 7.869 -6.330 755 HB2 SER 97 2HB SER 97 -3.437 10.124 -5.070 756 HB3 SER 97 1HB SER 97 -1.956 10.314 -6.029 757 HG SER 97 HG SER 97 -4.388 10.277 -6.939 758 H HIS 98 HN HIS 98 -3.183 7.490 -3.259 759 HA HIS 98 HA HIS 98 -1.122 8.484 -1.566 760 HB2 HIS 98 2HB HIS 98 -2.390 7.219 0.227 761 HB3 HIS 98 1HB HIS 98 -3.357 8.363 -0.691 762 HD1 HIS 98 HD1 HIS 98 -5.606 7.428 -1.067 763 HD2 HIS 98 HD2 HIS 98 -2.715 4.460 -1.239 764 HE1 HIS 98 HE1 HIS 98 -6.853 5.307 -1.573 765 HE2 HIS 98 HE2 HIS 98 -5.100 3.501 -1.510 766 H LEU 99 HN LEU 99 -1.056 5.666 -3.508 767 HA LEU 99 HA LEU 99 -0.183 3.675 -1.717 768 HB2 LEU 99 2HB LEU 99 0.528 3.885 -4.648 769 HB3 LEU 99 1HB LEU 99 0.673 2.437 -3.674 770 HG LEU 99 HG LEU 99 -1.894 3.823 -4.466 771 HD11 LEU 99 1HD1 LEU 99 -2.368 1.820 -5.780 772 HD12 LEU 99 2HD1 LEU 99 -0.796 1.148 -5.340 773 HD13 LEU 99 3HD1 LEU 99 -0.887 2.613 -6.322 774 HD21 LEU 99 3HD2 LEU 99 -1.537 1.370 -2.759 775 HD22 LEU 99 1HD2 LEU 99 -3.074 1.963 -3.401 776 HD23 LEU 99 2HD2 LEU 99 -2.172 2.942 -2.245 777 H GLY 100 HN GLY 100 2.075 5.069 -4.181 778 HA2 GLY 100 2HA GLY 100 4.136 6.012 -2.740 779 HA3 GLY 100 1HA GLY 100 4.321 4.280 -2.482 780 H HIS 101 HN HIS 101 6.322 4.383 -3.492 781 HA HIS 101 HA HIS 101 6.404 4.726 -6.444 782 HB2 HIS 101 2HB HIS 101 8.799 5.584 -6.025 783 HB3 HIS 101 1HB HIS 101 7.503 6.676 -5.542 784 HD1 HIS 101 HD1 HIS 101 7.197 7.136 -3.040 785 HD2 HIS 101 HD2 HIS 101 10.260 4.458 -3.833 786 HE1 HIS 101 HE1 HIS 101 8.440 6.881 -0.874 787 HE2 HIS 101 HE2 HIS 101 10.426 5.458 -1.451 788 H VAL 102 HN VAL 102 8.152 3.403 -7.463 789 HA VAL 102 HA VAL 102 9.101 1.148 -5.834 790 HB VAL 102 HB VAL 102 8.348 -0.578 -7.368 791 HG11 VAL 102 1HG1 VAL 102 5.975 1.180 -6.655 792 HG12 VAL 102 2HG1 VAL 102 6.775 0.041 -5.570 793 HG13 VAL 102 3HG1 VAL 102 5.930 -0.553 -6.998 794 HG21 VAL 102 3HG2 VAL 102 6.804 -0.137 -9.245 795 HG22 VAL 102 1HG2 VAL 102 8.385 0.608 -9.487 796 HG23 VAL 102 2HG2 VAL 102 7.008 1.600 -8.996 797 H PHE 103 HN PHE 103 11.019 0.303 -6.517 798 HA PHE 103 HA PHE 103 12.496 1.975 -8.451 799 HB2 PHE 103 2HB PHE 103 13.431 0.251 -6.125 800 HB3 PHE 103 1HB PHE 103 14.527 1.045 -7.249 801 HD1 PHE 103 HD2 PHE 103 12.067 1.615 -4.528 802 HD2 PHE 103 HD1 PHE 103 14.925 3.440 -7.144 803 HE1 PHE 103 HE2 PHE 103 12.010 3.666 -3.179 804 HE2 PHE 103 HE1 PHE 103 14.854 5.485 -5.784 805 HZ PHE 103 HZ PHE 103 13.395 5.601 -3.805 806 H ASN 104 HN ASN 104 13.593 1.123 -10.139 807 HA ASN 104 HA ASN 104 12.556 -1.396 -11.150 808 HB2 ASN 104 2HB ASN 104 14.329 0.694 -12.502 809 HB3 ASN 104 1HB ASN 104 13.526 -0.652 -13.303 810 HD21 ASN 104 1HD2 ASN 104 12.297 0.626 -14.679 811 HD22 ASN 104 2HD2 ASN 104 11.008 1.647 -14.144 812 H ASP 105 HN ASP 105 14.852 -1.129 -9.062 813 HA ASP 105 HA ASP 105 16.943 -2.762 -10.381 814 HB2 ASP 105 2HB ASP 105 17.680 -0.610 -9.327 815 HB3 ASP 105 1HB ASP 105 17.061 -1.162 -7.776 816 H GLY 106 HN GLY 106 14.383 -2.823 -8.101 817 HA2 GLY 106 2HA GLY 106 15.267 -4.880 -6.331 818 HA3 GLY 106 1HA GLY 106 13.611 -4.338 -6.541 819 HA PRO 107 HA PRO 107 14.413 -8.511 -8.839 820 HB2 PRO 107 2HB PRO 107 14.326 -10.463 -6.950 821 HB3 PRO 107 1HB PRO 107 15.826 -9.607 -7.340 822 HG2 PRO 107 2HG PRO 107 13.925 -9.137 -5.040 823 HG3 PRO 107 1HG PRO 107 15.700 -9.208 -5.021 824 HD2 PRO 107 2HD PRO 107 14.287 -6.843 -5.068 825 HD3 PRO 107 1HD PRO 107 15.918 -7.009 -5.746 826 H GLY 108 HN GLY 108 12.539 -8.995 -9.824 827 HA2 GLY 108 2HA GLY 108 10.495 -10.511 -8.497 828 HA3 GLY 108 1HA GLY 108 9.936 -8.889 -8.919 829 HA PRO 109 HA PRO 109 9.407 -11.798 -12.693 830 HB2 PRO 109 2HB PRO 109 6.559 -10.854 -12.454 831 HB3 PRO 109 1HB PRO 109 7.183 -12.484 -12.757 832 HG2 PRO 109 2HG PRO 109 6.141 -11.848 -10.371 833 HG3 PRO 109 1HG PRO 109 7.561 -12.909 -10.487 834 HD2 PRO 109 2HD PRO 109 7.453 -9.960 -9.802 835 HD3 PRO 109 1HD PRO 109 8.382 -11.267 -9.026 836 H ASN 110 HN ASN 110 8.004 -8.694 -11.779 837 HA ASN 110 HA ASN 110 8.238 -7.511 -14.433 838 HB2 ASN 110 2HB ASN 110 7.239 -5.510 -13.339 839 HB3 ASN 110 1HB ASN 110 6.277 -6.958 -13.085 840 HD21 ASN 110 1HD2 ASN 110 6.070 -4.618 -11.571 841 HD22 ASN 110 2HD2 ASN 110 6.509 -4.982 -9.940 842 H GLY 111 HN GLY 111 9.931 -7.512 -11.369 843 HA2 GLY 111 2HA GLY 111 12.182 -7.060 -11.013 844 HA3 GLY 111 1HA GLY 111 12.282 -6.278 -12.584 845 H LEU 112 HN LEU 112 9.891 -5.577 -10.095 846 HA LEU 112 HA LEU 112 11.079 -2.898 -9.635 847 HB2 LEU 112 2HB LEU 112 8.170 -3.789 -9.483 848 HB3 LEU 112 1HB LEU 112 8.739 -2.202 -8.974 849 HG LEU 112 HG LEU 112 8.905 -3.291 -11.818 850 HD11 LEU 112 1HD1 LEU 112 6.599 -2.859 -11.241 851 HD12 LEU 112 2HD1 LEU 112 7.170 -1.634 -12.366 852 HD13 LEU 112 3HD1 LEU 112 7.004 -1.244 -10.656 853 HD21 LEU 112 3HD2 LEU 112 9.577 -1.023 -12.472 854 HD22 LEU 112 1HD2 LEU 112 10.730 -1.728 -11.347 855 HD23 LEU 112 2HD2 LEU 112 9.578 -0.519 -10.780 856 H ARG 113 HN ARG 113 10.816 -2.023 -7.477 857 HA ARG 113 HA ARG 113 10.584 -4.046 -5.311 858 HB2 ARG 113 2HB ARG 113 12.960 -3.283 -5.544 859 HB3 ARG 113 1HB ARG 113 12.445 -1.619 -5.297 860 HG2 ARG 113 2HG ARG 113 11.615 -2.218 -3.035 861 HG3 ARG 113 1HG ARG 113 12.156 -3.881 -3.277 862 HD2 ARG 113 2HD ARG 113 14.490 -3.107 -3.405 863 HD3 ARG 113 1HD ARG 113 13.951 -1.428 -3.243 864 HE ARG 113 HE ARG 113 13.138 -3.206 -1.093 865 HH11 ARG 113 1HH1 ARG 113 15.636 -0.972 -2.158 866 HH12 ARG 113 2HH1 ARG 113 16.150 -0.611 -0.545 867 HH21 ARG 113 1HH2 ARG 113 13.846 -2.744 0.981 868 HH22 ARG 113 2HH2 ARG 113 15.160 -1.641 1.232 869 H TYR 114 HN TYR 114 8.739 -3.647 -4.353 870 HA TYR 114 HA TYR 114 7.334 -1.182 -4.753 871 HB2 TYR 114 2HB TYR 114 6.641 -3.832 -3.473 872 HB3 TYR 114 1HB TYR 114 5.530 -2.464 -3.436 873 HD1 TYR 114 HD2 TYR 114 7.399 -4.712 -5.790 874 HD2 TYR 114 HD1 TYR 114 4.169 -1.947 -5.321 875 HE1 TYR 114 HE2 TYR 114 6.630 -5.221 -8.070 876 HE2 TYR 114 HE1 TYR 114 3.406 -2.445 -7.596 877 HH TYR 114 HH TYR 114 4.172 -3.318 -9.644 878 H CYS 115 HN CYS 115 7.623 0.553 -3.543 879 HA CYS 115 HA CYS 115 8.067 0.269 -0.628 880 HB2 CYS 115 2HB CYS 115 9.029 2.500 -2.479 881 HB3 CYS 115 1HB CYS 115 9.433 2.291 -0.772 882 HG CYS 115 HG CYS 115 10.222 -0.251 -2.846 883 H ILE 116 HN ILE 116 6.037 0.487 0.081 884 HA ILE 116 HA ILE 116 4.244 2.620 -0.934 885 HB ILE 116 HB ILE 116 3.518 0.207 0.812 886 HG12 ILE 116 2HG1 ILE 116 4.286 -0.608 -1.368 887 HG13 ILE 116 1HG1 ILE 116 2.544 -0.799 -1.257 888 HG21 ILE 116 1HG2 ILE 116 1.909 2.054 1.035 889 HG22 ILE 116 2HG2 ILE 116 1.172 0.694 0.191 890 HG23 ILE 116 3HG2 ILE 116 1.701 2.113 -0.715 891 HD11 ILE 116 3HD1 ILE 116 3.185 -0.066 -3.447 892 HD12 ILE 116 1HD1 ILE 116 4.022 1.336 -2.780 893 HD13 ILE 116 2HD1 ILE 116 2.263 1.206 -2.646 894 H ASN 117 HN ASN 117 3.341 4.132 0.531 895 HA ASN 117 HA ASN 117 4.944 4.986 2.644 896 HB2 ASN 117 2HB ASN 117 2.049 5.666 1.970 897 HB3 ASN 117 1HB ASN 117 3.037 6.550 3.127 898 HD21 ASN 117 1HD2 ASN 117 2.232 6.178 -0.176 899 HD22 ASN 117 2HD2 ASN 117 3.355 7.325 -0.816 900 H SER 118 HN SER 118 5.242 3.942 4.470 901 HA SER 118 HA SER 118 3.848 1.753 5.462 902 HB2 SER 118 2HB SER 118 5.640 3.630 7.047 903 HB3 SER 118 1HB SER 118 5.354 1.914 7.359 904 HG SER 118 HG SER 118 7.020 1.646 6.144 905 H ALA 119 HN ALA 119 3.619 5.149 6.300 906 HA ALA 119 HA ALA 119 2.017 5.084 8.610 907 HB1 ALA 119 3HB ALA 119 2.125 7.198 6.432 908 HB2 ALA 119 1HB ALA 119 3.210 7.091 7.815 909 HB3 ALA 119 2HB ALA 119 1.501 7.434 8.068 910 H ALA 120 HN ALA 120 1.214 4.818 5.203 911 HA ALA 120 HA ALA 120 -1.521 5.609 5.391 912 HB1 ALA 120 3HB ALA 120 -0.131 4.116 3.148 913 HB2 ALA 120 1HB ALA 120 -0.256 5.869 3.295 914 HB3 ALA 120 2HB ALA 120 -1.710 4.899 3.053 915 H LEU 121 HN LEU 121 0.140 2.663 5.989 916 HA LEU 121 HA LEU 121 -2.030 0.970 5.011 917 HB2 LEU 121 2HB LEU 121 0.769 0.223 5.928 918 HB3 LEU 121 1HB LEU 121 -0.387 -0.839 5.121 919 HG LEU 121 HG LEU 121 0.941 1.616 3.907 920 HD11 LEU 121 1HD1 LEU 121 1.326 -1.311 3.270 921 HD12 LEU 121 2HD1 LEU 121 2.458 -0.248 4.117 922 HD13 LEU 121 3HD1 LEU 121 2.066 0.058 2.432 923 HD21 LEU 121 3HD2 LEU 121 -0.162 0.998 1.799 924 HD22 LEU 121 1HD2 LEU 121 -1.321 1.430 3.052 925 HD23 LEU 121 2HD2 LEU 121 -1.067 -0.268 2.636 926 H ARG 122 HN ARG 122 -2.678 -0.819 6.084 927 HA ARG 122 HA ARG 122 -2.460 -1.096 8.993 928 HB2 ARG 122 2HB ARG 122 -4.383 0.367 8.708 929 HB3 ARG 122 1HB ARG 122 -5.000 -0.600 7.377 930 HG2 ARG 122 2HG ARG 122 -5.438 -2.460 8.994 931 HG3 ARG 122 1HG ARG 122 -4.940 -1.392 10.313 932 HD2 ARG 122 2HD ARG 122 -6.794 0.102 9.890 933 HD3 ARG 122 1HD ARG 122 -7.184 -0.717 8.370 934 HE ARG 122 HE ARG 122 -7.420 -2.033 11.011 935 HH11 ARG 122 1HH1 ARG 122 -8.866 -1.246 7.895 936 HH12 ARG 122 2HH1 ARG 122 -10.161 -2.386 8.092 937 HH21 ARG 122 1HH2 ARG 122 -9.101 -3.526 11.200 938 HH22 ARG 122 2HH2 ARG 122 -10.265 -3.662 9.924 939 H PHE 123 HN PHE 123 -2.081 -3.248 9.321 940 HA PHE 123 HA PHE 123 -2.774 -5.251 7.326 941 HB2 PHE 123 2HB PHE 123 -1.505 -6.818 8.556 942 HB3 PHE 123 1HB PHE 123 -0.649 -5.323 8.889 943 HD1 PHE 123 HD1 PHE 123 -1.186 -4.115 11.154 944 HD2 PHE 123 HD2 PHE 123 -2.272 -8.184 10.365 945 HE1 PHE 123 HE1 PHE 123 -1.467 -4.520 13.561 946 HE2 PHE 123 HE2 PHE 123 -2.532 -8.571 12.779 947 HZ PHE 123 HZ PHE 123 -2.143 -6.742 14.374 948 H VAL 124 HN VAL 124 -4.567 -6.564 7.436 949 HA VAL 124 HA VAL 124 -6.371 -6.333 9.775 950 HB VAL 124 HB VAL 124 -7.496 -6.476 6.952 951 HG11 VAL 124 1HG1 VAL 124 -8.994 -7.091 8.810 952 HG12 VAL 124 2HG1 VAL 124 -9.543 -5.601 8.036 953 HG13 VAL 124 3HG1 VAL 124 -8.701 -5.529 9.586 954 HG21 VAL 124 3HG2 VAL 124 -7.867 -4.030 6.941 955 HG22 VAL 124 1HG2 VAL 124 -6.145 -4.428 6.944 956 HG23 VAL 124 2HG2 VAL 124 -6.928 -3.879 8.427 957 HA PRO 125 HA PRO 125 -5.535 -10.889 9.371 958 HB2 PRO 125 2HB PRO 125 -7.587 -10.609 11.600 959 HB3 PRO 125 1HB PRO 125 -6.185 -11.690 11.497 960 HG2 PRO 125 2HG PRO 125 -6.004 -9.501 12.961 961 HG3 PRO 125 1HG PRO 125 -4.648 -9.941 11.897 962 HD2 PRO 125 2HD PRO 125 -6.747 -7.811 11.517 963 HD3 PRO 125 1HD PRO 125 -5.020 -7.781 11.091 964 H LYS 126 HN LYS 126 -6.757 -12.555 8.386 965 HA LYS 126 HA LYS 126 -9.040 -11.817 6.898 966 HB2 LYS 126 2HB LYS 126 -9.134 -14.173 6.135 967 HB3 LYS 126 1HB LYS 126 -7.545 -13.450 5.983 968 HG2 LYS 126 2HG LYS 126 -7.055 -15.602 6.714 969 HG3 LYS 126 1HG LYS 126 -6.994 -14.675 8.214 970 HD2 LYS 126 2HD LYS 126 -9.186 -15.496 8.878 971 HD3 LYS 126 1HD LYS 126 -9.432 -16.253 7.303 972 HE2 LYS 126 2HE LYS 126 -8.844 -17.931 8.978 973 HE3 LYS 126 1HE LYS 126 -7.571 -17.812 7.763 974 HZ1 LYS 126 3HZ LYS 126 -7.504 -16.494 10.424 975 HZ2 LYS 126 1HZ LYS 126 -6.264 -16.502 9.276 976 HZ3 LYS 126 2HZ LYS 126 -6.717 -17.936 10.039 977 H HIS 127 HN HIS 127 -8.800 -12.957 10.086 978 HA HIS 127 HA HIS 127 -11.549 -13.859 10.382 979 HB2 HIS 127 2HB HIS 127 -9.626 -14.759 11.755 980 HB3 HIS 127 1HB HIS 127 -9.473 -13.183 12.521 981 HD1 HIS 127 HD1 HIS 127 -11.684 -16.210 12.388 982 HD2 HIS 127 HD2 HIS 127 -11.369 -12.652 14.516 983 HE1 HIS 127 HE1 HIS 127 -13.237 -16.456 14.342 984 HE2 HIS 127 HE2 HIS 127 -13.171 -14.226 15.508 985 H LYS 128 HN LYS 128 -9.748 -10.876 10.623 986 HA LYS 128 HA LYS 128 -11.800 -9.383 12.082 987 HB2 LYS 128 2HB LYS 128 -9.335 -8.974 12.453 988 HB3 LYS 128 1HB LYS 128 -9.192 -8.433 10.785 989 HG2 LYS 128 2HG LYS 128 -9.297 -6.487 12.177 990 HG3 LYS 128 1HG LYS 128 -10.833 -6.597 11.310 991 HD2 LYS 128 2HD LYS 128 -11.834 -7.669 13.377 992 HD3 LYS 128 1HD LYS 128 -10.310 -7.356 14.218 993 HE2 LYS 128 2HE LYS 128 -11.837 -5.591 14.788 994 HE3 LYS 128 1HE LYS 128 -10.634 -4.898 13.699 995 HZ1 LYS 128 3HZ LYS 128 -12.256 -5.252 11.870 996 HZ2 LYS 128 1HZ LYS 128 -12.783 -4.152 13.047 997 HZ3 LYS 128 2HZ LYS 128 -13.407 -5.717 13.024 998 H LEU 129 HN LEU 129 -10.662 -10.008 8.886 999 HA LEU 129 HA LEU 129 -11.712 -7.822 7.424 1000 HB2 LEU 129 2HB LEU 129 -10.962 -10.672 6.683 1001 HB3 LEU 129 1HB LEU 129 -11.571 -9.538 5.499 1002 HG LEU 129 HG LEU 129 -8.976 -9.202 7.036 1003 HD11 LEU 129 1HD1 LEU 129 -9.402 -9.994 4.131 1004 HD12 LEU 129 2HD1 LEU 129 -8.823 -11.047 5.421 1005 HD13 LEU 129 3HD1 LEU 129 -7.847 -9.677 4.911 1006 HD21 LEU 129 3HD2 LEU 129 -10.114 -7.577 4.758 1007 HD22 LEU 129 1HD2 LEU 129 -8.546 -7.349 5.551 1008 HD23 LEU 129 2HD2 LEU 129 -10.041 -7.087 6.459 1009 H LYS 130 HN LYS 130 -13.009 -10.971 8.426 1010 HA LYS 130 HA LYS 130 -15.349 -10.958 6.779 1011 HB2 LYS 130 2HB LYS 130 -14.401 -13.108 7.358 1012 HB3 LYS 130 1HB LYS 130 -14.336 -12.704 9.063 1013 HG2 LYS 130 2HG LYS 130 -16.093 -14.235 8.960 1014 HG3 LYS 130 1HG LYS 130 -16.938 -12.695 8.965 1015 HD2 LYS 130 2HD LYS 130 -16.353 -14.239 6.405 1016 HD3 LYS 130 1HD LYS 130 -17.804 -14.509 7.359 1017 HE2 LYS 130 2HE LYS 130 -18.438 -12.113 7.001 1018 HE3 LYS 130 1HE LYS 130 -17.018 -11.921 5.972 1019 HZ1 LYS 130 3HZ LYS 130 -19.047 -12.332 4.708 1020 HZ2 LYS 130 1HZ LYS 130 -19.236 -13.825 5.476 1021 HZ3 LYS 130 2HZ LYS 130 -17.906 -13.558 4.465 1022 H GLU 131 HN GLU 131 -14.385 -9.670 9.870 1023 HA GLU 131 HA GLU 131 -16.987 -9.601 11.097 1024 HB2 GLU 131 2HB GLU 131 -14.959 -9.636 12.510 1025 HB3 GLU 131 1HB GLU 131 -14.391 -8.135 11.777 1026 HG2 GLU 131 2HG GLU 131 -16.391 -6.961 12.702 1027 HG3 GLU 131 1HG GLU 131 -16.881 -8.467 13.477 1028 H GLU 132 HN GLU 132 -14.786 -7.323 9.415 1029 HA GLU 132 HA GLU 132 -16.797 -5.163 9.520 1030 HB2 GLU 132 2HB GLU 132 -14.934 -3.751 8.623 1031 HB3 GLU 132 1HB GLU 132 -14.538 -4.569 10.131 1032 HG2 GLU 132 2HG GLU 132 -13.378 -6.355 8.695 1033 HG3 GLU 132 1HG GLU 132 -13.550 -5.226 7.349 1034 H GLY 133 HN GLY 133 -16.993 -7.665 7.698 1035 HA2 GLY 133 2HA GLY 133 -18.019 -8.120 5.738 1036 HA3 GLY 133 1HA GLY 133 -18.483 -6.426 5.692 1037 H TYR 134 HN TYR 134 -15.128 -7.551 5.635 1038 HA TYR 134 HA TYR 134 -14.675 -6.284 3.043 1039 HB2 TYR 134 2HB TYR 134 -12.922 -7.330 5.278 1040 HB3 TYR 134 1HB TYR 134 -12.228 -7.229 3.670 1041 HD1 TYR 134 HD2 TYR 134 -14.648 -4.677 4.903 1042 HD2 TYR 134 HD1 TYR 134 -10.526 -5.628 4.309 1043 HE1 TYR 134 HE2 TYR 134 -14.044 -2.323 5.245 1044 HE2 TYR 134 HE1 TYR 134 -9.922 -3.279 4.650 1045 HH TYR 134 HH TYR 134 -10.952 -1.078 4.500 1046 H GLU 135 HN GLU 135 -16.370 -8.505 2.831 1047 HA GLU 135 HA GLU 135 -15.316 -11.080 2.722 1048 HB2 GLU 135 2HB GLU 135 -17.629 -10.009 1.053 1049 HB3 GLU 135 1HB GLU 135 -17.375 -11.684 1.548 1050 HG2 GLU 135 2HG GLU 135 -17.774 -11.115 3.872 1051 HG3 GLU 135 1HG GLU 135 -17.850 -9.395 3.476 1052 H SER 136 HN SER 136 -15.251 -8.590 0.224 1053 HA SER 136 HA SER 136 -14.712 -10.391 -2.001 1054 HB2 SER 136 2HB SER 136 -16.096 -8.353 -2.313 1055 HB3 SER 136 1HB SER 136 -14.745 -7.338 -1.804 1056 HG SER 136 HG SER 136 -14.049 -7.417 -3.762 1057 H TYR 137 HN TYR 137 -12.969 -8.703 0.392 1058 HA TYR 137 HA TYR 137 -10.449 -8.351 -0.998 1059 HB2 TYR 137 2HB TYR 137 -11.084 -8.149 1.989 1060 HB3 TYR 137 1HB TYR 137 -9.615 -7.603 1.203 1061 HD1 TYR 137 HD2 TYR 137 -13.286 -7.007 0.509 1062 HD2 TYR 137 HD1 TYR 137 -9.466 -5.267 1.303 1063 HE1 TYR 137 HE2 TYR 137 -14.276 -4.778 0.365 1064 HE2 TYR 137 HE1 TYR 137 -10.467 -3.034 1.169 1065 HH TYR 137 HH TYR 137 -13.792 -2.507 1.258 1066 H LEU 138 HN LEU 138 -11.962 -10.649 1.246 1067 HA LEU 138 HA LEU 138 -9.705 -12.300 1.814 1068 HB2 LEU 138 2HB LEU 138 -12.671 -13.025 1.802 1069 HB3 LEU 138 1HB LEU 138 -11.409 -14.125 2.326 1070 HG LEU 138 HG LEU 138 -10.854 -12.569 4.195 1071 HD11 LEU 138 1HD1 LEU 138 -13.210 -11.011 3.143 1072 HD12 LEU 138 2HD1 LEU 138 -11.534 -10.473 3.316 1073 HD13 LEU 138 3HD1 LEU 138 -12.510 -10.794 4.748 1074 HD21 LEU 138 3HD2 LEU 138 -12.390 -14.442 4.609 1075 HD22 LEU 138 1HD2 LEU 138 -13.765 -13.432 4.141 1076 HD23 LEU 138 2HD2 LEU 138 -12.823 -13.033 5.580 1077 H HIS 139 HN HIS 139 -11.955 -12.084 -0.837 1078 HA HIS 139 HA HIS 139 -11.585 -14.578 -2.100 1079 HB2 HIS 139 2HB HIS 139 -13.392 -12.785 -2.518 1080 HB3 HIS 139 1HB HIS 139 -12.218 -11.951 -3.522 1081 HD1 HIS 139 HD1 HIS 139 -14.620 -12.619 -4.969 1082 HD2 HIS 139 HD2 HIS 139 -11.656 -15.484 -4.487 1083 HE1 HIS 139 HE1 HIS 139 -15.018 -14.301 -6.790 1084 HE2 HIS 139 HE2 HIS 139 -13.239 -16.055 -6.453 1085 H LEU 140 HN LEU 140 -9.688 -11.637 -2.136 1086 HA LEU 140 HA LEU 140 -7.916 -12.334 -4.307 1087 HB2 LEU 140 2HB LEU 140 -7.589 -10.313 -2.052 1088 HB3 LEU 140 1HB LEU 140 -6.638 -10.356 -3.533 1089 HG LEU 140 HG LEU 140 -9.643 -9.852 -3.449 1090 HD11 LEU 140 1HD1 LEU 140 -7.417 -7.812 -3.682 1091 HD12 LEU 140 2HD1 LEU 140 -8.498 -8.044 -2.307 1092 HD13 LEU 140 3HD1 LEU 140 -9.150 -7.494 -3.846 1093 HD21 LEU 140 3HD2 LEU 140 -8.888 -10.790 -5.584 1094 HD22 LEU 140 1HD2 LEU 140 -7.666 -9.527 -5.737 1095 HD23 LEU 140 2HD2 LEU 140 -9.381 -9.112 -5.781 1096 H PHE 141 HN PHE 141 -7.867 -12.511 -0.785 1097 HA PHE 141 HA PHE 141 -5.138 -13.343 -0.480 1098 HB2 PHE 141 2HB PHE 141 -6.285 -12.025 1.227 1099 HB3 PHE 141 1HB PHE 141 -7.527 -13.256 1.408 1100 HD1 PHE 141 HD1 PHE 141 -3.822 -12.748 1.809 1101 HD2 PHE 141 HD2 PHE 141 -7.296 -14.864 3.153 1102 HE1 PHE 141 HE1 PHE 141 -2.521 -13.746 3.638 1103 HE2 PHE 141 HE2 PHE 141 -5.977 -15.855 4.978 1104 HZ PHE 141 HZ PHE 141 -3.591 -15.297 5.222 1105 H ASN 142 HN ASN 142 -8.186 -15.001 -0.859 1106 HA ASN 142 HA ASN 142 -7.188 -17.687 -0.829 1107 HB2 ASN 142 2HB ASN 142 -7.116 -17.128 1.616 1108 HB3 ASN 142 1HB ASN 142 -8.819 -16.690 1.569 1109 HD21 ASN 142 1HD2 ASN 142 -9.764 -18.186 2.800 1110 HD22 ASN 142 2HD2 ASN 142 -9.599 -19.897 2.615 1111 H LYS 143 HN LYS 143 -9.256 -19.233 -0.918 1112 HA LYS 143 HA LYS 143 -11.626 -17.797 -1.979 1113 HB2 LYS 143 2HB LYS 143 -12.310 -19.987 -2.984 1114 HB3 LYS 143 1HB LYS 143 -10.799 -19.364 -3.622 1115 HG2 LYS 143 2HG LYS 143 -10.311 -21.616 -3.409 1116 HG3 LYS 143 1HG LYS 143 -9.671 -20.979 -1.894 1117 HD2 LYS 143 2HD LYS 143 -11.740 -21.731 -0.728 1118 HD3 LYS 143 1HD LYS 143 -12.357 -22.375 -2.254 1119 HE2 LYS 143 2HE LYS 143 -9.845 -23.293 -0.816 1120 HE3 LYS 143 1HE LYS 143 -11.383 -24.155 -0.866 1121 HZ1 LYS 143 3HZ LYS 143 -9.617 -23.583 -3.193 1122 HZ2 LYS 143 1HZ LYS 143 -11.134 -24.331 -3.286 1123 HZ3 LYS 143 2HZ LYS 143 -9.872 -25.082 -2.462 1124 H LEU 144 HN LEU 144 -13.653 -18.205 -1.084 1125 HA LEU 144 HA LEU 144 -13.618 -19.098 1.705 1126 HB2 LEU 144 2HB LEU 144 -14.668 -16.910 1.079 1127 HB3 LEU 144 1HB LEU 144 -15.853 -17.773 0.115 1128 HG LEU 144 HG LEU 144 -16.637 -18.934 2.240 1129 HD11 LEU 144 1HD1 LEU 144 -14.827 -16.923 3.606 1130 HD12 LEU 144 2HD1 LEU 144 -14.585 -18.671 3.543 1131 HD13 LEU 144 3HD1 LEU 144 -15.971 -18.007 4.404 1132 HD21 LEU 144 3HD2 LEU 144 -17.932 -17.040 3.095 1133 HD22 LEU 144 1HD2 LEU 144 -17.870 -17.005 1.334 1134 HD23 LEU 144 2HD2 LEU 144 -16.858 -15.902 2.271 1135 H GLU 145 HN GLU 145 -14.503 -20.978 2.387 1136 HA GLU 145 HA GLU 145 -15.733 -22.808 0.510 1137 HB2 GLU 145 2HB GLU 145 -14.177 -23.678 2.256 1138 HB3 GLU 145 1HB GLU 145 -15.276 -23.109 3.512 1139 HG2 GLU 145 2HG GLU 145 -17.007 -24.656 2.748 1140 HG3 GLU 145 1HG GLU 145 -15.974 -25.196 1.424 1141 H HIS 146 HN HIS 146 -17.556 -21.605 -0.086 1142 HA HIS 146 HA HIS 146 -19.670 -21.027 1.879 1143 HB2 HIS 146 2HB HIS 146 -19.174 -19.274 0.216 1144 HB3 HIS 146 1HB HIS 146 -19.437 -20.402 -1.106 1145 HD1 HIS 146 HD1 HIS 146 -21.284 -18.372 1.457 1146 HD2 HIS 146 HD2 HIS 146 -22.110 -20.759 -1.841 1147 HE1 HIS 146 HE1 HIS 146 -23.707 -17.982 0.936 1148 HE2 HIS 146 HE2 HIS 146 -24.230 -19.606 -0.921 1149 H HIS 147 HN HIS 147 -20.201 -23.169 2.413 1150 HA HIS 147 HA HIS 147 -21.239 -25.014 0.396 1151 HB2 HIS 147 2HB HIS 147 -19.898 -25.884 2.318 1152 HB3 HIS 147 1HB HIS 147 -21.121 -25.287 3.439 1153 HD1 HIS 147 HD1 HIS 147 -20.387 -28.063 1.069 1154 HD2 HIS 147 HD2 HIS 147 -23.521 -26.832 3.503 1155 HE1 HIS 147 HE1 HIS 147 -21.961 -30.015 1.164 1156 HE2 HIS 147 HE2 HIS 147 -23.927 -29.181 2.499 Start of MODEL 3 1 H1 MET 1 1H MET 1 -12.245 15.003 17.948 2 H2 MET 1 2H MET 1 -11.616 16.258 18.898 3 H3 MET 1 3H MET 1 -13.084 16.460 18.091 4 HA MET 1 HA MET 1 -12.598 14.502 20.250 5 HB2 MET 1 2HB MET 1 -12.572 16.877 21.028 6 HB3 MET 1 1HB MET 1 -14.145 17.133 20.289 7 HG2 MET 1 2HG MET 1 -15.107 15.436 21.836 8 HG3 MET 1 1HG MET 1 -13.531 15.288 22.613 9 HE1 MET 1 3HE MET 1 -16.121 19.123 22.720 10 HE2 MET 1 1HE MET 1 -16.613 17.631 21.921 11 HE3 MET 1 2HE MET 1 -15.291 18.595 21.257 12 H ALA 2 HN ALA 2 -14.142 12.952 20.385 13 HA ALA 2 HA ALA 2 -15.771 11.520 19.789 14 HB1 ALA 2 3HB ALA 2 -17.402 14.004 19.149 15 HB2 ALA 2 1HB ALA 2 -17.304 13.207 20.721 16 HB3 ALA 2 2HB ALA 2 -18.042 12.371 19.353 17 H TYR 3 HN TYR 3 -14.534 10.668 18.152 18 HA TYR 3 HA TYR 3 -14.130 11.939 15.630 19 HB2 TYR 3 2HB TYR 3 -13.271 9.264 16.773 20 HB3 TYR 3 1HB TYR 3 -12.909 9.715 15.114 21 HD1 TYR 3 HD1 TYR 3 -12.202 10.510 18.670 22 HD2 TYR 3 HD2 TYR 3 -11.214 11.409 14.604 23 HE1 TYR 3 HE1 TYR 3 -10.216 11.747 19.418 24 HE2 TYR 3 HE2 TYR 3 -9.220 12.636 15.353 25 HH TYR 3 HH TYR 3 -7.993 12.418 18.490 26 H ASN 4 HN ASN 4 -16.198 12.157 14.705 27 HA ASN 4 HA ASN 4 -17.604 9.916 13.575 28 HB2 ASN 4 2HB ASN 4 -18.663 12.144 13.770 29 HB3 ASN 4 1HB ASN 4 -17.444 12.849 12.716 30 HD21 ASN 4 1HD2 ASN 4 -18.745 13.529 11.062 31 HD22 ASN 4 2HD2 ASN 4 -19.767 12.497 10.122 32 H LYS 5 HN LYS 5 -17.569 9.426 11.206 33 HA LYS 5 HA LYS 5 -15.092 8.556 10.302 34 HB2 LYS 5 2HB LYS 5 -16.230 8.083 8.150 35 HB3 LYS 5 1HB LYS 5 -17.202 7.597 9.538 36 HG2 LYS 5 2HG LYS 5 -18.490 9.768 9.291 37 HG3 LYS 5 1HG LYS 5 -17.608 10.052 7.791 38 HD2 LYS 5 2HD LYS 5 -19.761 9.105 7.231 39 HD3 LYS 5 1HD LYS 5 -18.537 7.873 6.916 40 HE2 LYS 5 2HE LYS 5 -20.492 6.886 8.034 41 HE3 LYS 5 1HE LYS 5 -19.077 6.794 9.080 42 HZ1 LYS 5 3HZ LYS 5 -19.895 8.675 10.333 43 HZ2 LYS 5 1HZ LYS 5 -21.096 7.489 10.256 44 HZ3 LYS 5 2HZ LYS 5 -21.205 8.862 9.281 45 H GLU 6 HN GLU 6 -16.723 11.604 9.600 46 HA GLU 6 HA GLU 6 -15.003 12.524 7.510 47 HB2 GLU 6 2HB GLU 6 -16.690 14.199 9.412 48 HB3 GLU 6 1HB GLU 6 -16.053 14.720 7.853 49 HG2 GLU 6 2HG GLU 6 -18.150 12.570 8.315 50 HG3 GLU 6 1HG GLU 6 -18.453 14.205 7.734 51 H GLU 7 HN GLU 7 -15.114 13.196 11.009 52 HA GLU 7 HA GLU 7 -12.848 14.879 11.189 53 HB2 GLU 7 2HB GLU 7 -14.595 14.743 12.945 54 HB3 GLU 7 1HB GLU 7 -14.103 13.096 13.324 55 HG2 GLU 7 2HG GLU 7 -11.928 13.902 14.119 56 HG3 GLU 7 1HG GLU 7 -12.337 15.551 13.654 57 H LYS 8 HN LYS 8 -13.205 11.382 11.296 58 HA LYS 8 HA LYS 8 -10.628 10.695 12.256 59 HB2 LYS 8 2HB LYS 8 -12.620 9.114 10.577 60 HB3 LYS 8 1HB LYS 8 -11.150 8.425 11.270 61 HG2 LYS 8 2HG LYS 8 -11.975 8.843 13.525 62 HG3 LYS 8 1HG LYS 8 -13.401 9.659 12.882 63 HD2 LYS 8 2HD LYS 8 -13.942 7.375 13.588 64 HD3 LYS 8 1HD LYS 8 -14.161 7.565 11.844 65 HE2 LYS 8 2HE LYS 8 -11.998 6.452 11.446 66 HE3 LYS 8 1HE LYS 8 -11.741 6.292 13.188 67 HZ1 LYS 8 3HZ LYS 8 -13.640 4.858 13.321 68 HZ2 LYS 8 1HZ LYS 8 -12.589 4.271 12.134 69 HZ3 LYS 8 2HZ LYS 8 -13.995 5.091 11.685 70 H ILE 9 HN ILE 9 -12.051 10.639 8.987 71 HA ILE 9 HA ILE 9 -9.704 10.082 7.565 72 HB ILE 9 HB ILE 9 -12.313 11.385 6.693 73 HG12 ILE 9 2HG1 ILE 9 -12.580 9.064 7.422 74 HG13 ILE 9 1HG1 ILE 9 -12.757 9.126 5.672 75 HG21 ILE 9 1HG2 ILE 9 -11.711 10.928 4.340 76 HG22 ILE 9 2HG2 ILE 9 -10.095 10.440 4.859 77 HG23 ILE 9 3HG2 ILE 9 -10.625 12.107 5.081 78 HD11 ILE 9 3HD1 ILE 9 -10.304 8.225 7.180 79 HD12 ILE 9 1HD1 ILE 9 -10.458 8.298 5.421 80 HD13 ILE 9 2HD1 ILE 9 -11.472 7.196 6.353 81 H LYS 10 HN LYS 10 -10.945 13.184 8.748 82 HA LYS 10 HA LYS 10 -9.269 14.843 7.145 83 HB2 LYS 10 2HB LYS 10 -11.380 15.626 8.316 84 HB3 LYS 10 1HB LYS 10 -10.508 15.530 9.843 85 HG2 LYS 10 2HG LYS 10 -8.796 17.156 8.702 86 HG3 LYS 10 1HG LYS 10 -10.087 17.443 7.535 87 HD2 LYS 10 2HD LYS 10 -10.144 19.173 9.247 88 HD3 LYS 10 1HD LYS 10 -11.579 18.153 9.415 89 HE2 LYS 10 2HE LYS 10 -10.528 18.698 11.605 90 HE3 LYS 10 1HE LYS 10 -10.554 16.965 11.289 91 HZ1 LYS 10 3HZ LYS 10 -8.438 17.610 12.181 92 HZ2 LYS 10 1HZ LYS 10 -8.217 18.769 10.971 93 HZ3 LYS 10 2HZ LYS 10 -8.227 17.127 10.578 94 H SER 11 HN SER 11 -8.983 13.455 10.390 95 HA SER 11 HA SER 11 -6.474 14.681 11.059 96 HB2 SER 11 2HB SER 11 -8.096 13.889 12.788 97 HB3 SER 11 1HB SER 11 -7.841 12.226 12.263 98 HG SER 11 HG SER 11 -5.906 12.210 13.189 99 H LEU 12 HN LEU 12 -7.356 11.295 10.478 100 HA LEU 12 HA LEU 12 -5.048 9.994 10.182 101 HB2 LEU 12 2HB LEU 12 -7.269 8.978 10.219 102 HB3 LEU 12 1HB LEU 12 -7.663 9.705 8.668 103 HG LEU 12 HG LEU 12 -5.821 8.238 7.678 104 HD11 LEU 12 1HD1 LEU 12 -5.165 6.217 8.858 105 HD12 LEU 12 2HD1 LEU 12 -5.998 6.783 10.311 106 HD13 LEU 12 3HD1 LEU 12 -4.601 7.668 9.688 107 HD21 LEU 12 3HD2 LEU 12 -7.276 6.293 7.458 108 HD22 LEU 12 1HD2 LEU 12 -8.188 7.794 7.321 109 HD23 LEU 12 2HD2 LEU 12 -8.257 6.852 8.815 110 H ASN 13 HN ASN 13 -6.827 11.369 7.366 111 HA ASN 13 HA ASN 13 -4.956 10.437 5.458 112 HB2 ASN 13 2HB ASN 13 -7.126 12.535 5.192 113 HB3 ASN 13 1HB ASN 13 -6.117 12.034 3.840 114 HD21 ASN 13 1HD2 ASN 13 -7.306 9.775 6.323 115 HD22 ASN 13 2HD2 ASN 13 -8.378 8.939 5.269 116 H ARG 14 HN ARG 14 -5.144 13.469 7.252 117 HA ARG 14 HA ARG 14 -3.377 15.024 5.686 118 HB2 ARG 14 2HB ARG 14 -4.807 15.989 7.478 119 HB3 ARG 14 1HB ARG 14 -3.857 15.139 8.694 120 HG2 ARG 14 2HG ARG 14 -1.835 16.463 7.925 121 HG3 ARG 14 1HG ARG 14 -2.915 17.395 6.887 122 HD2 ARG 14 2HD ARG 14 -2.488 18.614 8.944 123 HD3 ARG 14 1HD ARG 14 -4.177 18.115 8.906 124 HE ARG 14 HE ARG 14 -3.416 16.198 10.390 125 HH11 ARG 14 1HH1 ARG 14 -1.766 19.302 10.444 126 HH12 ARG 14 2HH1 ARG 14 -1.273 19.145 12.100 127 HH21 ARG 14 1HH2 ARG 14 -2.761 16.007 12.552 128 HH22 ARG 14 2HH2 ARG 14 -1.852 17.278 13.300 129 H MET 15 HN MET 15 -2.800 12.940 8.480 130 HA MET 15 HA MET 15 -0.049 13.565 8.813 131 HB2 MET 15 2HB MET 15 -1.477 12.830 10.686 132 HB3 MET 15 1HB MET 15 -1.708 11.261 9.928 133 HG2 MET 15 2HG MET 15 0.641 10.711 10.256 134 HG3 MET 15 1HG MET 15 0.966 12.329 10.886 135 HE1 MET 15 3HE MET 15 0.081 13.195 13.257 136 HE2 MET 15 1HE MET 15 -1.008 12.258 14.294 137 HE3 MET 15 2HE MET 15 -1.580 12.861 12.748 138 H GLN 16 HN GLN 16 -1.774 10.794 7.368 139 HA GLN 16 HA GLN 16 0.670 9.382 6.759 140 HB2 GLN 16 2HB GLN 16 -0.752 7.659 5.846 141 HB3 GLN 16 1HB GLN 16 -1.438 8.224 7.368 142 HG2 GLN 16 2HG GLN 16 -2.951 9.720 5.923 143 HG3 GLN 16 1HG GLN 16 -2.426 8.737 4.559 144 HE21 GLN 16 1HE2 GLN 16 -2.366 6.258 6.289 145 HE22 GLN 16 2HE2 GLN 16 -4.017 5.845 6.487 146 H TYR 17 HN TYR 17 -1.607 11.399 4.955 147 HA TYR 17 HA TYR 17 -0.534 11.213 2.367 148 HB2 TYR 17 2HB TYR 17 -2.520 12.633 2.781 149 HB3 TYR 17 1HB TYR 17 -1.535 13.791 3.664 150 HD1 TYR 17 HD1 TYR 17 -1.996 12.259 0.272 151 HD2 TYR 17 HD2 TYR 17 -0.463 15.595 2.468 152 HE1 TYR 17 HE1 TYR 17 -1.548 13.442 -1.833 153 HE2 TYR 17 HE2 TYR 17 -0.014 16.774 0.355 154 HH TYR 17 HH TYR 17 0.406 16.154 -2.056 155 H GLU 18 HN GLU 18 0.492 13.213 5.084 156 HA GLU 18 HA GLU 18 2.626 14.615 3.941 157 HB2 GLU 18 2HB GLU 18 1.640 15.063 6.177 158 HB3 GLU 18 1HB GLU 18 2.317 13.557 6.783 159 HG2 GLU 18 2HG GLU 18 4.601 14.467 6.403 160 HG3 GLU 18 1HG GLU 18 3.884 15.985 5.863 161 H VAL 19 HN VAL 19 2.413 11.360 5.191 162 HA VAL 19 HA VAL 19 5.238 10.779 5.235 163 HB VAL 19 HB VAL 19 2.824 8.914 5.425 164 HG11 VAL 19 1HG1 VAL 19 5.761 8.314 5.964 165 HG12 VAL 19 2HG1 VAL 19 4.786 7.662 4.639 166 HG13 VAL 19 3HG1 VAL 19 4.411 7.224 6.307 167 HG21 VAL 19 3HG2 VAL 19 3.335 8.891 7.851 168 HG22 VAL 19 1HG2 VAL 19 2.962 10.525 7.285 169 HG23 VAL 19 2HG2 VAL 19 4.639 10.053 7.583 170 H THR 20 HN THR 20 2.563 9.442 3.229 171 HA THR 20 HA THR 20 4.201 8.093 1.402 172 HB THR 20 HB THR 20 1.852 7.466 1.780 173 HG1 THR 20 HG1 THR 20 1.273 7.370 -0.576 174 HG21 THR 20 3HG2 THR 20 0.872 9.742 1.961 175 HG22 THR 20 1HG2 THR 20 -0.002 8.745 0.797 176 HG23 THR 20 2HG2 THR 20 1.119 9.985 0.230 177 H GLN 21 HN GLN 21 3.278 11.443 1.497 178 HA GLN 21 HA GLN 21 3.673 12.044 -1.306 179 HB2 GLN 21 2HB GLN 21 2.183 13.418 0.151 180 HB3 GLN 21 1HB GLN 21 3.575 13.921 1.096 181 HG2 GLN 21 2HG GLN 21 2.948 15.699 -0.408 182 HG3 GLN 21 1HG GLN 21 4.504 15.042 -0.922 183 HE21 GLN 21 1HE2 GLN 21 4.239 15.830 -3.026 184 HE22 GLN 21 2HE2 GLN 21 3.124 15.127 -4.145 185 H ASN 22 HN ASN 22 5.565 12.240 1.665 186 HA ASN 22 HA ASN 22 7.872 13.454 0.283 187 HB2 ASN 22 2HB ASN 22 7.425 12.965 3.263 188 HB3 ASN 22 1HB ASN 22 8.777 13.846 2.558 189 HD21 ASN 22 1HD2 ASN 22 6.914 14.794 4.532 190 HD22 ASN 22 2HD2 ASN 22 6.102 16.160 3.855 191 H ASN 23 HN ASN 23 6.712 10.405 1.126 192 HA ASN 23 HA ASN 23 7.488 8.364 1.639 193 HB2 ASN 23 2HB ASN 23 9.966 9.373 0.181 194 HB3 ASN 23 1HB ASN 23 9.817 7.713 0.761 195 HD21 ASN 23 1HD2 ASN 23 10.110 8.689 -1.968 196 HD22 ASN 23 2HD2 ASN 23 8.746 8.097 -2.844 197 H GLY 24 HN GLY 24 7.502 10.288 3.621 198 HA2 GLY 24 2HA GLY 24 9.987 10.235 5.119 199 HA3 GLY 24 1HA GLY 24 8.484 11.023 5.578 200 H THR 25 HN THR 25 9.611 9.889 7.585 201 HA THR 25 HA THR 25 8.363 7.225 7.966 202 HB THR 25 HB THR 25 10.714 8.496 9.447 203 HG1 THR 25 HG1 THR 25 10.466 6.512 7.434 204 HG21 THR 25 3HG2 THR 25 9.475 5.736 9.781 205 HG22 THR 25 1HG2 THR 25 9.430 7.034 10.974 206 HG23 THR 25 2HG2 THR 25 10.969 6.283 10.542 207 H GLU 26 HN GLU 26 6.597 7.171 9.227 208 HA GLU 26 HA GLU 26 5.674 9.432 10.758 209 HB2 GLU 26 2HB GLU 26 4.137 7.894 9.513 210 HB3 GLU 26 1HB GLU 26 4.660 6.559 10.531 211 HG2 GLU 26 2HG GLU 26 3.775 8.164 12.476 212 HG3 GLU 26 1HG GLU 26 2.823 8.854 11.169 213 HA PRO 27 HA PRO 27 7.369 8.015 14.855 214 HB2 PRO 27 2HB PRO 27 4.724 9.109 15.823 215 HB3 PRO 27 1HB PRO 27 6.353 9.394 16.456 216 HG2 PRO 27 2HG PRO 27 5.107 11.268 15.000 217 HG3 PRO 27 1HG PRO 27 6.852 10.995 14.828 218 HD2 PRO 27 2HD PRO 27 4.614 10.180 12.993 219 HD3 PRO 27 1HD PRO 27 6.268 10.705 12.601 220 HA PRO 28 HA PRO 28 5.582 3.940 14.402 221 HB2 PRO 28 2HB PRO 28 6.230 3.600 17.344 222 HB3 PRO 28 1HB PRO 28 6.613 2.541 15.975 223 HG2 PRO 28 2HG PRO 28 8.506 4.108 16.995 224 HG3 PRO 28 1HG PRO 28 8.372 3.907 15.233 225 HD2 PRO 28 2HD PRO 28 7.508 6.235 16.952 226 HD3 PRO 28 1HD PRO 28 8.248 6.238 15.335 227 H PHE 29 HN PHE 29 3.403 4.107 14.101 228 HA PHE 29 HA PHE 29 1.653 3.601 16.408 229 HB2 PHE 29 2HB PHE 29 1.534 6.065 16.081 230 HB3 PHE 29 1HB PHE 29 1.140 5.838 14.382 231 HD1 PHE 29 HD2 PHE 29 -0.123 4.777 17.773 232 HD2 PHE 29 HD1 PHE 29 -1.144 5.980 13.790 233 HE1 PHE 29 HE2 PHE 29 -2.507 4.711 18.355 234 HE2 PHE 29 HE1 PHE 29 -3.531 5.900 14.389 235 HZ PHE 29 HZ PHE 29 -4.217 5.267 16.671 236 H GLN 30 HN GLN 30 1.893 4.048 12.898 237 HA GLN 30 HA GLN 30 0.238 1.636 12.393 238 HB2 GLN 30 2HB GLN 30 1.025 3.803 10.380 239 HB3 GLN 30 1HB GLN 30 -0.183 2.544 10.166 240 HG2 GLN 30 2HG GLN 30 -0.423 4.850 12.118 241 HG3 GLN 30 1HG GLN 30 -1.106 4.840 10.494 242 HE21 GLN 30 1HE2 GLN 30 -3.192 5.140 11.300 243 HE22 GLN 30 2HE2 GLN 30 -4.073 3.894 12.106 244 H ASN 31 HN ASN 31 3.017 1.592 13.292 245 HA ASN 31 HA ASN 31 4.789 1.286 11.014 246 HB2 ASN 31 2HB ASN 31 5.421 2.270 13.309 247 HB3 ASN 31 1HB ASN 31 5.402 0.624 13.933 248 HD21 ASN 31 1HD2 ASN 31 7.012 2.846 11.725 249 HD22 ASN 31 2HD2 ASN 31 8.478 1.939 11.593 250 H GLU 32 HN GLU 32 6.321 -0.787 11.196 251 HA GLU 32 HA GLU 32 4.802 -2.818 10.035 252 HB2 GLU 32 2HB GLU 32 7.572 -3.531 11.021 253 HB3 GLU 32 1HB GLU 32 6.792 -3.907 9.491 254 HG2 GLU 32 2HG GLU 32 8.275 -1.417 10.322 255 HG3 GLU 32 1HG GLU 32 8.565 -2.470 8.946 256 H TYR 33 HN TYR 33 5.986 -2.464 13.305 257 HA TYR 33 HA TYR 33 5.795 -5.018 14.362 258 HB2 TYR 33 2HB TYR 33 6.770 -3.288 15.706 259 HB3 TYR 33 1HB TYR 33 5.322 -2.293 15.621 260 HD1 TYR 33 HD1 TYR 33 6.316 -5.733 16.815 261 HD2 TYR 33 HD2 TYR 33 3.990 -2.223 17.589 262 HE1 TYR 33 HE1 TYR 33 5.530 -6.715 18.926 263 HE2 TYR 33 HE2 TYR 33 3.210 -3.213 19.703 264 HH TYR 33 HH TYR 33 2.911 -5.500 20.670 265 H TRP 34 HN TRP 34 3.222 -2.734 13.663 266 HA TRP 34 HA TRP 34 1.227 -3.954 15.318 267 HB2 TRP 34 2HB TRP 34 1.023 -1.850 13.125 268 HB3 TRP 34 1HB TRP 34 -0.317 -2.330 14.167 269 HD1 TRP 34 HD1 TRP 34 2.999 -0.369 14.269 270 HE1 TRP 34 HE1 TRP 34 3.043 1.046 16.416 271 HE3 TRP 34 HE3 TRP 34 -1.185 -2.222 16.570 272 HZ2 TRP 34 HZ2 TRP 34 1.534 1.340 18.767 273 HZ3 TRP 34 HZ3 TRP 34 -1.812 -1.319 18.777 274 HH2 TRP 34 HH2 TRP 34 -0.475 0.429 19.853 275 H ASP 35 HN ASP 35 2.404 -4.743 12.165 276 HA ASP 35 HA ASP 35 0.093 -6.568 11.813 277 HB2 ASP 35 2HB ASP 35 0.340 -6.371 9.363 278 HB3 ASP 35 1HB ASP 35 -0.047 -4.830 10.112 279 H HIS 36 HN HIS 36 3.403 -6.194 10.544 280 HA HIS 36 HA HIS 36 4.618 -7.854 9.423 281 HB2 HIS 36 2HB HIS 36 5.729 -6.737 11.368 282 HB3 HIS 36 1HB HIS 36 5.325 -8.133 12.361 283 HD1 HIS 36 HD1 HIS 36 6.853 -10.154 12.177 284 HD2 HIS 36 HD2 HIS 36 7.662 -7.232 9.343 285 HE1 HIS 36 HE1 HIS 36 9.013 -10.841 11.099 286 HE2 HIS 36 HE2 HIS 36 9.460 -9.075 9.367 287 H LYS 37 HN LYS 37 3.702 -9.528 12.444 288 HA LYS 37 HA LYS 37 4.243 -12.162 11.541 289 HB2 LYS 37 2HB LYS 37 4.321 -11.574 13.923 290 HB3 LYS 37 1HB LYS 37 2.626 -11.102 13.894 291 HG2 LYS 37 2HG LYS 37 2.243 -13.653 13.219 292 HG3 LYS 37 1HG LYS 37 3.844 -13.866 13.931 293 HD2 LYS 37 2HD LYS 37 2.165 -14.321 15.626 294 HD3 LYS 37 1HD LYS 37 2.985 -12.816 16.047 295 HE2 LYS 37 2HE LYS 37 0.570 -12.597 16.405 296 HE3 LYS 37 1HE LYS 37 1.077 -11.532 15.097 297 HZ1 LYS 37 3HZ LYS 37 -0.950 -12.657 14.512 298 HZ2 LYS 37 1HZ LYS 37 -0.256 -14.171 14.801 299 HZ3 LYS 37 2HZ LYS 37 0.296 -13.224 13.518 300 H GLU 38 HN GLU 38 1.267 -10.315 11.913 301 HA GLU 38 HA GLU 38 -0.581 -12.387 12.039 302 HB2 GLU 38 2HB GLU 38 -0.851 -9.926 12.724 303 HB3 GLU 38 1HB GLU 38 -1.189 -9.576 11.036 304 HG2 GLU 38 2HG GLU 38 -3.302 -9.724 12.067 305 HG3 GLU 38 1HG GLU 38 -3.122 -11.265 11.229 306 H GLU 39 HN GLU 39 -2.034 -13.300 10.571 307 HA GLU 39 HA GLU 39 -1.463 -12.944 7.707 308 HB2 GLU 39 2HB GLU 39 -3.004 -14.853 7.292 309 HB3 GLU 39 1HB GLU 39 -1.628 -15.281 8.294 310 HG2 GLU 39 2HG GLU 39 -4.311 -14.632 9.533 311 HG3 GLU 39 1HG GLU 39 -3.984 -16.231 8.870 312 H GLY 40 HN GLY 40 -2.838 -12.017 6.360 313 HA2 GLY 40 2HA GLY 40 -5.407 -11.352 6.288 314 HA3 GLY 40 1HA GLY 40 -4.839 -10.234 7.530 315 H LEU 41 HN LEU 41 -5.508 -8.565 5.975 316 HA LEU 41 HA LEU 41 -3.713 -8.268 3.638 317 HB2 LEU 41 2HB LEU 41 -6.460 -7.125 4.249 318 HB3 LEU 41 1HB LEU 41 -5.488 -6.617 2.870 319 HG LEU 41 HG LEU 41 -6.354 -9.496 3.324 320 HD11 LEU 41 1HD1 LEU 41 -8.299 -7.966 3.021 321 HD12 LEU 41 2HD1 LEU 41 -8.126 -9.217 1.796 322 HD13 LEU 41 3HD1 LEU 41 -7.658 -7.547 1.421 323 HD21 LEU 41 3HD2 LEU 41 -5.254 -8.136 0.841 324 HD22 LEU 41 1HD2 LEU 41 -5.762 -9.823 0.974 325 HD23 LEU 41 2HD2 LEU 41 -4.369 -9.248 1.892 326 H TYR 42 HN TYR 42 -3.597 -5.881 3.028 327 HA TYR 42 HA TYR 42 -2.970 -4.096 5.254 328 HB2 TYR 42 2HB TYR 42 -0.973 -5.686 4.256 329 HB3 TYR 42 1HB TYR 42 -0.904 -4.394 3.070 330 HD1 TYR 42 HD1 TYR 42 -1.782 -3.527 6.536 331 HD2 TYR 42 HD2 TYR 42 1.438 -3.992 3.776 332 HE1 TYR 42 HE1 TYR 42 -0.296 -2.321 8.065 333 HE2 TYR 42 HE2 TYR 42 2.920 -2.770 5.296 334 HH TYR 42 HH TYR 42 2.071 -2.074 8.531 335 H VAL 43 HN VAL 43 -4.113 -2.297 4.693 336 HA VAL 43 HA VAL 43 -4.800 -1.835 1.843 337 HB VAL 43 HB VAL 43 -7.109 -1.307 2.477 338 HG11 VAL 43 1HG1 VAL 43 -7.941 -3.546 3.132 339 HG12 VAL 43 2HG1 VAL 43 -6.307 -4.016 3.611 340 HG13 VAL 43 3HG1 VAL 43 -6.661 -3.655 1.918 341 HG21 VAL 43 3HG2 VAL 43 -7.978 -1.643 4.779 342 HG22 VAL 43 1HG2 VAL 43 -6.737 -0.387 4.731 343 HG23 VAL 43 2HG2 VAL 43 -6.342 -1.994 5.346 344 H ASP 44 HN ASP 44 -5.365 0.354 1.323 345 HA ASP 44 HA ASP 44 -3.964 2.411 2.750 346 HB2 ASP 44 2HB ASP 44 -5.020 3.970 1.103 347 HB3 ASP 44 1HB ASP 44 -4.229 2.611 0.323 348 H ILE 45 HN ILE 45 -4.666 3.002 4.751 349 HA ILE 45 HA ILE 45 -7.110 2.452 5.941 350 HB ILE 45 HB ILE 45 -5.770 5.004 6.892 351 HG12 ILE 45 2HG1 ILE 45 -4.524 2.250 7.290 352 HG13 ILE 45 1HG1 ILE 45 -3.844 3.561 6.340 353 HG21 ILE 45 1HG2 ILE 45 -6.285 4.086 9.128 354 HG22 ILE 45 2HG2 ILE 45 -6.867 2.588 8.399 355 HG23 ILE 45 3HG2 ILE 45 -7.727 4.101 8.112 356 HD11 ILE 45 3HD1 ILE 45 -2.733 3.388 8.463 357 HD12 ILE 45 1HD1 ILE 45 -4.263 3.553 9.328 358 HD13 ILE 45 2HD1 ILE 45 -3.626 4.905 8.387 359 H VAL 46 HN VAL 46 -6.273 5.146 3.993 360 HA VAL 46 HA VAL 46 -8.061 7.168 4.584 361 HB VAL 46 HB VAL 46 -7.691 7.868 2.144 362 HG11 VAL 46 1HG1 VAL 46 -5.286 8.310 2.371 363 HG12 VAL 46 2HG1 VAL 46 -5.159 7.084 3.637 364 HG13 VAL 46 3HG1 VAL 46 -6.093 8.548 3.927 365 HG21 VAL 46 3HG2 VAL 46 -6.078 6.534 0.827 366 HG22 VAL 46 1HG2 VAL 46 -7.555 5.628 1.156 367 HG23 VAL 46 2HG2 VAL 46 -6.088 5.293 2.078 368 H SER 47 HN SER 47 -8.694 4.192 2.831 369 HA SER 47 HA SER 47 -11.481 4.985 2.247 370 HB2 SER 47 2HB SER 47 -9.795 3.484 0.191 371 HB3 SER 47 1HB SER 47 -11.352 4.278 -0.049 372 HG SER 47 HG SER 47 -8.785 5.301 -0.021 373 H GLY 48 HN GLY 48 -8.991 2.490 2.423 374 HA2 GLY 48 2HA GLY 48 -9.030 0.495 3.606 375 HA3 GLY 48 1HA GLY 48 -10.781 0.597 3.744 376 H LYS 49 HN LYS 49 -8.602 0.689 0.885 377 HA LYS 49 HA LYS 49 -10.375 -1.272 -0.447 378 HB2 LYS 49 2HB LYS 49 -8.191 0.391 -1.788 379 HB3 LYS 49 1HB LYS 49 -9.524 -0.468 -2.556 380 HG2 LYS 49 2HG LYS 49 -9.682 2.063 -0.898 381 HG3 LYS 49 1HG LYS 49 -9.937 1.914 -2.637 382 HD2 LYS 49 2HD LYS 49 -11.724 0.549 -0.582 383 HD3 LYS 49 1HD LYS 49 -12.015 2.184 -1.164 384 HE2 LYS 49 2HE LYS 49 -13.429 0.677 -2.395 385 HE3 LYS 49 1HE LYS 49 -12.189 1.276 -3.493 386 HZ1 LYS 49 3HZ LYS 49 -11.032 -0.788 -3.307 387 HZ2 LYS 49 1HZ LYS 49 -12.639 -1.094 -3.721 388 HZ3 LYS 49 2HZ LYS 49 -12.108 -1.356 -2.137 389 HA PRO 50 HA PRO 50 -7.183 -4.389 0.183 390 HB2 PRO 50 2HB PRO 50 -8.241 -5.721 -2.288 391 HB3 PRO 50 1HB PRO 50 -8.164 -6.333 -0.629 392 HG2 PRO 50 2HG PRO 50 -10.507 -5.614 -1.725 393 HG3 PRO 50 1HG PRO 50 -10.161 -5.294 -0.011 394 HD2 PRO 50 2HD PRO 50 -10.031 -3.396 -2.358 395 HD3 PRO 50 1HD PRO 50 -10.727 -3.145 -0.738 396 H LEU 51 HN LEU 51 -5.085 -4.014 -0.351 397 HA LEU 51 HA LEU 51 -4.387 -3.212 -3.135 398 HB2 LEU 51 2HB LEU 51 -2.999 -2.496 -0.519 399 HB3 LEU 51 1HB LEU 51 -2.481 -1.988 -2.124 400 HG LEU 51 HG LEU 51 -4.992 -1.136 -0.651 401 HD11 LEU 51 1HD1 LEU 51 -2.561 0.430 -1.568 402 HD12 LEU 51 2HD1 LEU 51 -2.990 0.011 0.095 403 HD13 LEU 51 3HD1 LEU 51 -4.009 1.116 -0.823 404 HD21 LEU 51 3HD2 LEU 51 -5.577 -1.498 -2.992 405 HD22 LEU 51 1HD2 LEU 51 -4.204 -0.524 -3.524 406 HD23 LEU 51 2HD2 LEU 51 -5.540 0.232 -2.644 407 H PHE 52 HN PHE 52 -3.223 -4.869 -0.265 408 HA PHE 52 HA PHE 52 -2.014 -7.032 -1.699 409 HB2 PHE 52 2HB PHE 52 0.340 -6.433 -0.445 410 HB3 PHE 52 1HB PHE 52 -0.003 -5.951 -2.099 411 HD1 PHE 52 HD1 PHE 52 -0.707 -4.565 1.349 412 HD2 PHE 52 HD2 PHE 52 0.676 -3.778 -2.619 413 HE1 PHE 52 HE1 PHE 52 -0.331 -2.210 1.929 414 HE2 PHE 52 HE2 PHE 52 1.053 -1.428 -2.021 415 HZ PHE 52 HZ PHE 52 0.549 -0.645 0.252 416 H THR 53 HN THR 53 -0.879 -8.535 -0.104 417 HA THR 53 HA THR 53 -2.407 -8.561 2.414 418 HB THR 53 HB THR 53 -2.780 -10.586 1.200 419 HG1 THR 53 HG1 THR 53 -2.520 -11.182 3.276 420 HG21 THR 53 3HG2 THR 53 -1.024 -12.104 0.390 421 HG22 THR 53 1HG2 THR 53 0.220 -10.970 0.930 422 HG23 THR 53 2HG2 THR 53 -0.879 -10.519 -0.376 423 H SER 54 HN SER 54 -1.431 -8.651 4.387 424 HA SER 54 HA SER 54 1.159 -7.775 4.901 425 HB2 SER 54 2HB SER 54 -0.734 -7.781 6.552 426 HB3 SER 54 1HB SER 54 -0.535 -9.520 6.736 427 HG SER 54 HG SER 54 1.832 -8.638 7.156 428 H LYS 55 HN LYS 55 0.127 -10.906 3.954 429 HA LYS 55 HA LYS 55 2.360 -12.460 4.864 430 HB2 LYS 55 2HB LYS 55 -0.055 -13.216 4.106 431 HB3 LYS 55 1HB LYS 55 0.626 -13.226 2.489 432 HG2 LYS 55 2HG LYS 55 1.736 -14.838 4.809 433 HG3 LYS 55 1HG LYS 55 0.542 -15.460 3.672 434 HD2 LYS 55 2HD LYS 55 2.179 -15.128 1.812 435 HD3 LYS 55 1HD LYS 55 3.369 -14.554 2.983 436 HE2 LYS 55 2HE LYS 55 3.784 -16.901 2.408 437 HE3 LYS 55 1HE LYS 55 3.323 -16.758 4.107 438 HZ1 LYS 55 3HZ LYS 55 2.199 -18.603 3.036 439 HZ2 LYS 55 1HZ LYS 55 1.529 -17.570 1.880 440 HZ3 LYS 55 2HZ LYS 55 1.078 -17.430 3.502 441 H ASP 56 HN ASP 56 1.570 -10.669 1.882 442 HA ASP 56 HA ASP 56 4.020 -11.424 0.485 443 HB2 ASP 56 2HB ASP 56 1.897 -11.053 -0.777 444 HB3 ASP 56 1HB ASP 56 1.891 -9.365 -0.288 445 H LYS 57 HN LYS 57 3.499 -9.396 3.003 446 HA LYS 57 HA LYS 57 5.261 -7.222 2.179 447 HB2 LYS 57 2HB LYS 57 3.450 -6.678 3.721 448 HB3 LYS 57 1HB LYS 57 3.981 -7.922 4.851 449 HG2 LYS 57 2HG LYS 57 6.042 -6.680 5.314 450 HG3 LYS 57 1HG LYS 57 5.602 -5.459 4.111 451 HD2 LYS 57 2HD LYS 57 3.717 -4.750 5.432 452 HD3 LYS 57 1HD LYS 57 3.924 -6.089 6.560 453 HE2 LYS 57 2HE LYS 57 5.975 -5.121 7.418 454 HE3 LYS 57 1HE LYS 57 5.970 -3.879 6.168 455 HZ1 LYS 57 3HZ LYS 57 5.171 -2.959 8.203 456 HZ2 LYS 57 1HZ LYS 57 3.997 -4.168 8.367 457 HZ3 LYS 57 2HZ LYS 57 3.882 -3.040 7.118 458 H PHE 58 HN PHE 58 7.445 -7.437 2.261 459 HA PHE 58 HA PHE 58 8.569 -8.745 4.664 460 HB2 PHE 58 2HB PHE 58 10.624 -9.298 3.432 461 HB3 PHE 58 1HB PHE 58 9.232 -10.069 2.696 462 HD1 PHE 58 HD1 PHE 58 8.369 -9.241 0.478 463 HD2 PHE 58 HD2 PHE 58 11.984 -7.723 2.188 464 HE1 PHE 58 HE1 PHE 58 9.049 -8.367 -1.719 465 HE2 PHE 58 HE2 PHE 58 12.653 -6.848 -0.008 466 HZ PHE 58 HZ PHE 58 11.189 -7.172 -1.960 467 H ASP 59 HN ASP 59 9.794 -7.492 5.888 468 HA ASP 59 HA ASP 59 9.899 -4.636 5.336 469 HB2 ASP 59 2HB ASP 59 10.533 -4.412 7.706 470 HB3 ASP 59 1HB ASP 59 9.090 -5.404 7.546 471 H SER 60 HN SER 60 11.734 -3.496 4.932 472 HA SER 60 HA SER 60 14.312 -4.974 4.783 473 HB2 SER 60 2HB SER 60 14.966 -3.440 2.990 474 HB3 SER 60 1HB SER 60 13.411 -4.160 2.582 475 HG SER 60 HG SER 60 12.702 -2.043 3.798 476 H GLN 61 HN GLN 61 16.200 -3.899 5.504 477 HA GLN 61 HA GLN 61 15.889 -2.312 7.866 478 HB2 GLN 61 2HB GLN 61 17.660 -4.066 7.511 479 HB3 GLN 61 1HB GLN 61 18.460 -2.990 6.369 480 HG2 GLN 61 2HG GLN 61 18.879 -1.371 8.163 481 HG3 GLN 61 1HG GLN 61 17.990 -2.380 9.303 482 HE21 GLN 61 1HE2 GLN 61 20.762 -1.451 9.416 483 HE22 GLN 61 2HE2 GLN 61 21.735 -2.871 9.539 484 H CYS 62 HN CYS 62 16.050 -1.469 4.585 485 HA CYS 62 HA CYS 62 17.135 1.118 4.579 486 HB2 CYS 62 2HB CYS 62 16.462 -0.107 2.533 487 HB3 CYS 62 1HB CYS 62 14.765 0.026 2.993 488 HG CYS 62 HG CYS 62 16.860 2.488 1.904 489 H GLY 63 HN GLY 63 14.074 -0.105 5.783 490 HA2 GLY 63 2HA GLY 63 13.338 1.245 7.794 491 HA3 GLY 63 1HA GLY 63 13.239 2.599 6.677 492 H TRP 64 HN TRP 64 12.137 1.532 4.486 493 HA TRP 64 HA TRP 64 9.342 1.259 5.310 494 HB2 TRP 64 2HB TRP 64 10.625 1.915 2.605 495 HB3 TRP 64 1HB TRP 64 8.887 1.891 2.906 496 HD1 TRP 64 HD1 TRP 64 7.810 4.051 3.957 497 HE1 TRP 64 HE1 TRP 64 8.717 6.337 4.720 498 HE3 TRP 64 HE3 TRP 64 12.839 3.096 3.637 499 HZ2 TRP 64 HZ2 TRP 64 11.220 7.562 5.144 500 HZ3 TRP 64 HZ3 TRP 64 14.421 4.883 4.244 501 HH2 TRP 64 HH2 TRP 64 13.625 7.075 4.981 502 HA PRO 65 HA PRO 65 9.138 -3.059 3.993 503 HB2 PRO 65 2HB PRO 65 6.491 -3.355 3.430 504 HB3 PRO 65 1HB PRO 65 7.078 -3.136 5.087 505 HG2 PRO 65 2HG PRO 65 5.943 -1.063 3.200 506 HG3 PRO 65 1HG PRO 65 5.522 -1.365 4.901 507 HD2 PRO 65 2HD PRO 65 7.242 0.614 4.183 508 HD3 PRO 65 1HD PRO 65 7.444 -0.286 5.703 509 H SER 66 HN SER 66 8.576 -4.402 2.144 510 HA SER 66 HA SER 66 8.146 -3.047 -0.415 511 HB2 SER 66 2HB SER 66 10.440 -4.989 0.125 512 HB3 SER 66 1HB SER 66 10.027 -4.298 -1.444 513 HG SER 66 HG SER 66 10.268 -2.249 0.161 514 H PHE 67 HN PHE 67 7.044 -4.262 -1.882 515 HA PHE 67 HA PHE 67 6.105 -6.973 -1.118 516 HB2 PHE 67 2HB PHE 67 4.526 -4.846 -2.651 517 HB3 PHE 67 1HB PHE 67 3.939 -6.433 -2.169 518 HD1 PHE 67 HD1 PHE 67 4.909 -3.078 -0.914 519 HD2 PHE 67 HD2 PHE 67 3.100 -6.826 0.073 520 HE1 PHE 67 HE1 PHE 67 4.111 -2.134 1.210 521 HE2 PHE 67 HE2 PHE 67 2.306 -5.866 2.195 522 HZ PHE 67 HZ PHE 67 2.817 -3.527 2.765 523 H THR 68 HN THR 68 5.880 -8.463 -2.849 524 HA THR 68 HA THR 68 7.629 -7.939 -5.136 525 HB THR 68 HB THR 68 6.190 -10.525 -4.379 526 HG1 THR 68 HG1 THR 68 7.782 -9.720 -2.843 527 HG21 THR 68 3HG2 THR 68 8.503 -10.055 -6.316 528 HG22 THR 68 1HG2 THR 68 6.852 -10.482 -6.775 529 HG23 THR 68 2HG2 THR 68 7.844 -11.632 -5.871 530 H LYS 69 HN LYS 69 4.190 -8.479 -4.427 531 HA LYS 69 HA LYS 69 3.329 -7.692 -7.019 532 HB2 LYS 69 2HB LYS 69 2.072 -10.021 -7.396 533 HB3 LYS 69 1HB LYS 69 3.676 -9.719 -8.027 534 HG2 LYS 69 2HG LYS 69 3.599 -11.950 -7.143 535 HG3 LYS 69 1HG LYS 69 4.655 -10.975 -6.120 536 HD2 LYS 69 2HD LYS 69 2.851 -10.781 -4.452 537 HD3 LYS 69 1HD LYS 69 1.779 -11.727 -5.485 538 HE2 LYS 69 2HE LYS 69 3.170 -13.698 -5.214 539 HE3 LYS 69 1HE LYS 69 4.398 -12.765 -4.356 540 HZ1 LYS 69 3HZ LYS 69 2.818 -12.360 -2.591 541 HZ2 LYS 69 1HZ LYS 69 3.027 -14.020 -2.835 542 HZ3 LYS 69 2HZ LYS 69 1.635 -13.256 -3.402 543 HA PRO 70 HA PRO 70 -0.066 -6.976 -4.043 544 HB2 PRO 70 2HB PRO 70 -0.739 -4.513 -4.830 545 HB3 PRO 70 1HB PRO 70 0.786 -4.782 -3.969 546 HG2 PRO 70 2HG PRO 70 0.319 -4.440 -6.926 547 HG3 PRO 70 1HG PRO 70 1.573 -3.708 -5.902 548 HD2 PRO 70 2HD PRO 70 1.958 -5.991 -7.452 549 HD3 PRO 70 1HD PRO 70 2.934 -5.567 -6.032 550 H ILE 71 HN ILE 71 -2.385 -6.405 -4.417 551 HA ILE 71 HA ILE 71 -3.627 -7.804 -6.517 552 HB ILE 71 HB ILE 71 -4.886 -5.672 -4.735 553 HG12 ILE 71 2HG1 ILE 71 -4.707 -8.676 -4.196 554 HG13 ILE 71 1HG1 ILE 71 -3.685 -7.470 -3.423 555 HG21 ILE 71 1HG2 ILE 71 -6.176 -7.982 -6.237 556 HG22 ILE 71 2HG2 ILE 71 -6.315 -6.269 -6.642 557 HG23 ILE 71 3HG2 ILE 71 -7.009 -6.874 -5.139 558 HD11 ILE 71 3HD1 ILE 71 -5.470 -8.169 -1.950 559 HD12 ILE 71 1HD1 ILE 71 -6.682 -7.697 -3.145 560 HD13 ILE 71 2HD1 ILE 71 -5.666 -6.470 -2.382 561 H GLU 72 HN GLU 72 -3.776 -7.230 -8.549 562 HA GLU 72 HA GLU 72 -2.645 -4.778 -9.536 563 HB2 GLU 72 2HB GLU 72 -4.039 -7.020 -11.060 564 HB3 GLU 72 1HB GLU 72 -3.012 -5.774 -11.766 565 HG2 GLU 72 2HG GLU 72 -1.066 -6.656 -10.648 566 HG3 GLU 72 1HG GLU 72 -2.050 -7.806 -9.743 567 H GLU 73 HN GLU 73 -5.749 -5.777 -8.696 568 HA GLU 73 HA GLU 73 -7.505 -4.607 -10.507 569 HB2 GLU 73 2HB GLU 73 -8.139 -6.248 -8.745 570 HB3 GLU 73 1HB GLU 73 -7.853 -5.034 -7.507 571 HG2 GLU 73 2HG GLU 73 -10.234 -5.278 -7.885 572 HG3 GLU 73 1HG GLU 73 -9.711 -3.675 -8.408 573 H GLU 74 HN GLU 74 -6.062 -3.213 -7.533 574 HA GLU 74 HA GLU 74 -6.966 -0.511 -8.364 575 HB2 GLU 74 2HB GLU 74 -6.980 -1.664 -5.539 576 HB3 GLU 74 1HB GLU 74 -7.315 0.025 -5.940 577 HG2 GLU 74 2HG GLU 74 -9.236 -0.749 -7.351 578 HG3 GLU 74 1HG GLU 74 -8.935 -2.398 -6.807 579 H VAL 75 HN VAL 75 -4.342 -2.113 -8.504 580 HA VAL 75 HA VAL 75 -2.657 0.138 -7.602 581 HB VAL 75 HB VAL 75 -1.802 -2.782 -7.886 582 HG11 VAL 75 1HG1 VAL 75 -0.145 -0.299 -7.239 583 HG12 VAL 75 2HG1 VAL 75 0.012 -1.312 -8.678 584 HG13 VAL 75 3HG1 VAL 75 0.439 -1.962 -7.093 585 HG21 VAL 75 3HG2 VAL 75 -1.955 -0.974 -5.432 586 HG22 VAL 75 1HG2 VAL 75 -1.338 -2.628 -5.444 587 HG23 VAL 75 2HG2 VAL 75 -3.044 -2.320 -5.780 588 H GLU 76 HN GLU 76 -1.920 1.326 -9.157 589 HA GLU 76 HA GLU 76 -1.541 0.283 -11.913 590 HB2 GLU 76 2HB GLU 76 -3.571 1.694 -11.837 591 HB3 GLU 76 1HB GLU 76 -2.682 2.979 -11.026 592 HG2 GLU 76 2HG GLU 76 -1.213 3.080 -13.131 593 HG3 GLU 76 1HG GLU 76 -2.423 2.047 -13.891 594 H GLU 77 HN GLU 77 0.541 0.603 -12.613 595 HA GLU 77 HA GLU 77 2.322 2.382 -11.090 596 HB2 GLU 77 2HB GLU 77 4.139 1.268 -12.426 597 HB3 GLU 77 1HB GLU 77 3.192 0.160 -11.444 598 HG2 GLU 77 2HG GLU 77 1.960 -0.583 -13.420 599 HG3 GLU 77 1HG GLU 77 2.821 0.582 -14.423 600 H LYS 78 HN LYS 78 3.248 4.223 -11.915 601 HA LYS 78 HA LYS 78 2.916 4.938 -14.756 602 HB2 LYS 78 2HB LYS 78 2.152 6.764 -12.435 603 HB3 LYS 78 1HB LYS 78 2.389 7.325 -14.086 604 HG2 LYS 78 2HG LYS 78 0.523 5.696 -14.762 605 HG3 LYS 78 1HG LYS 78 0.201 5.509 -13.038 606 HD2 LYS 78 2HD LYS 78 -1.336 7.177 -13.736 607 HD3 LYS 78 1HD LYS 78 -0.043 8.077 -12.953 608 HE2 LYS 78 2HE LYS 78 -0.337 7.733 -15.961 609 HE3 LYS 78 1HE LYS 78 -0.883 9.141 -15.055 610 HZ1 LYS 78 3HZ LYS 78 1.463 9.480 -14.382 611 HZ2 LYS 78 1HZ LYS 78 1.206 9.609 -16.048 612 HZ3 LYS 78 2HZ LYS 78 1.909 8.215 -15.412 613 H LEU 79 HN LEU 79 4.668 5.821 -15.591 614 HA LEU 79 HA LEU 79 7.146 5.780 -14.227 615 HB2 LEU 79 2HB LEU 79 6.892 5.159 -16.593 616 HB3 LEU 79 1HB LEU 79 6.426 6.799 -16.998 617 HG LEU 79 HG LEU 79 8.736 7.569 -16.330 618 HD11 LEU 79 1HD1 LEU 79 9.377 4.609 -16.153 619 HD12 LEU 79 2HD1 LEU 79 9.286 5.716 -14.781 620 HD13 LEU 79 3HD1 LEU 79 10.526 5.942 -16.017 621 HD21 LEU 79 3HD2 LEU 79 9.827 6.803 -18.376 622 HD22 LEU 79 1HD2 LEU 79 8.126 7.131 -18.695 623 HD23 LEU 79 2HD2 LEU 79 8.688 5.465 -18.524 624 H ASP 80 HN ASP 80 8.480 7.385 -13.660 625 HA ASP 80 HA ASP 80 7.853 10.231 -13.903 626 HB2 ASP 80 2HB ASP 80 6.800 9.464 -11.771 627 HB3 ASP 80 1HB ASP 80 8.326 8.760 -11.256 628 H THR 81 HN THR 81 9.820 11.550 -13.081 629 HA THR 81 HA THR 81 11.990 12.173 -13.332 630 HB THR 81 HB THR 81 12.774 9.320 -12.566 631 HG1 THR 81 HG1 THR 81 11.149 10.302 -11.143 632 HG21 THR 81 3HG2 THR 81 14.687 10.792 -13.156 633 HG22 THR 81 1HG2 THR 81 14.683 10.408 -11.433 634 HG23 THR 81 2HG2 THR 81 14.125 11.989 -11.984 635 H SER 82 HN SER 82 10.634 11.505 -15.582 636 HA SER 82 HA SER 82 11.801 9.539 -17.265 637 HB2 SER 82 2HB SER 82 10.218 10.574 -18.982 638 HB3 SER 82 1HB SER 82 9.471 9.994 -17.492 639 HG SER 82 HG SER 82 8.646 11.999 -17.875 640 H HIS 83 HN HIS 83 13.312 12.275 -16.426 641 HA HIS 83 HA HIS 83 14.125 13.406 -18.955 642 HB2 HIS 83 2HB HIS 83 15.379 13.805 -16.202 643 HB3 HIS 83 1HB HIS 83 15.540 14.866 -17.597 644 HD1 HIS 83 HD1 HIS 83 13.613 14.415 -14.568 645 HD2 HIS 83 HD2 HIS 83 12.943 16.164 -18.282 646 HE1 HIS 83 HE1 HIS 83 11.617 15.905 -14.260 647 HE2 HIS 83 HE2 HIS 83 11.134 16.822 -16.555 648 H GLY 84 HN GLY 84 14.698 10.486 -18.653 649 HA2 GLY 84 2HA GLY 84 16.524 9.398 -19.786 650 HA3 GLY 84 1HA GLY 84 17.647 10.506 -19.007 651 H MET 85 HN MET 85 15.028 9.104 -17.145 652 HA MET 85 HA MET 85 16.735 7.013 -16.004 653 HB2 MET 85 2HB MET 85 17.387 8.953 -14.678 654 HB3 MET 85 1HB MET 85 15.714 9.400 -14.395 655 HG2 MET 85 2HG MET 85 15.386 7.559 -12.900 656 HG3 MET 85 1HG MET 85 16.920 6.824 -13.362 657 HE1 MET 85 3HE MET 85 18.939 9.282 -13.391 658 HE2 MET 85 1HE MET 85 19.279 7.722 -12.641 659 HE3 MET 85 2HE MET 85 19.544 9.211 -11.737 660 H ILE 86 HN ILE 86 15.588 5.284 -15.246 661 HA ILE 86 HA ILE 86 12.666 5.321 -15.407 662 HB ILE 86 HB ILE 86 14.570 3.017 -14.789 663 HG12 ILE 86 2HG1 ILE 86 14.714 3.845 -17.135 664 HG13 ILE 86 1HG1 ILE 86 14.085 2.206 -17.051 665 HG21 ILE 86 1HG2 ILE 86 12.619 1.498 -15.079 666 HG22 ILE 86 2HG2 ILE 86 11.553 2.897 -15.207 667 HG23 ILE 86 3HG2 ILE 86 12.410 2.580 -13.699 668 HD11 ILE 86 3HD1 ILE 86 12.921 3.552 -18.700 669 HD12 ILE 86 1HD1 ILE 86 12.431 4.697 -17.455 670 HD13 ILE 86 2HD1 ILE 86 11.824 3.037 -17.422 671 H ARG 87 HN ARG 87 11.644 6.111 -13.686 672 HA ARG 87 HA ARG 87 11.971 4.820 -11.075 673 HB2 ARG 87 2HB ARG 87 11.634 7.845 -11.471 674 HB3 ARG 87 1HB ARG 87 11.341 7.021 -9.943 675 HG2 ARG 87 2HG ARG 87 14.041 7.055 -11.336 676 HG3 ARG 87 1HG ARG 87 13.537 8.252 -10.140 677 HD2 ARG 87 2HD ARG 87 14.837 6.689 -8.932 678 HD3 ARG 87 1HD ARG 87 13.173 6.276 -8.533 679 HE ARG 87 HE ARG 87 13.726 4.626 -10.603 680 HH11 ARG 87 1HH1 ARG 87 15.346 5.185 -7.544 681 HH12 ARG 87 2HH1 ARG 87 16.098 3.623 -7.534 682 HH21 ARG 87 1HH2 ARG 87 14.722 2.614 -10.588 683 HH22 ARG 87 2HH2 ARG 87 15.728 2.155 -9.245 684 H THR 88 HN THR 88 9.878 4.354 -10.282 685 HA THR 88 HA THR 88 7.576 5.290 -11.907 686 HB THR 88 HB THR 88 8.025 2.393 -11.027 687 HG1 THR 88 HG1 THR 88 8.701 3.798 -13.335 688 HG21 THR 88 3HG2 THR 88 5.902 3.600 -12.843 689 HG22 THR 88 1HG2 THR 88 5.620 2.990 -11.209 690 HG23 THR 88 2HG2 THR 88 6.100 1.883 -12.497 691 H GLU 89 HN GLU 89 5.753 5.731 -10.755 692 HA GLU 89 HA GLU 89 5.687 5.117 -7.836 693 HB2 GLU 89 2HB GLU 89 4.360 7.456 -9.277 694 HB3 GLU 89 1HB GLU 89 4.386 7.173 -7.535 695 HG2 GLU 89 2HG GLU 89 6.760 7.614 -7.443 696 HG3 GLU 89 1HG GLU 89 6.867 7.698 -9.203 697 H VAL 90 HN VAL 90 3.858 4.071 -7.069 698 HA VAL 90 HA VAL 90 1.868 3.273 -9.075 699 HB VAL 90 HB VAL 90 1.055 1.612 -7.361 700 HG11 VAL 90 1HG1 VAL 90 3.957 1.370 -8.249 701 HG12 VAL 90 2HG1 VAL 90 2.528 0.959 -9.212 702 HG13 VAL 90 3HG1 VAL 90 2.914 0.026 -7.765 703 HG21 VAL 90 3HG2 VAL 90 2.515 0.999 -5.474 704 HG22 VAL 90 1HG2 VAL 90 1.946 2.663 -5.302 705 HG23 VAL 90 2HG2 VAL 90 3.593 2.346 -5.850 706 H ARG 91 HN ARG 91 -0.046 4.060 -9.097 707 HA ARG 91 HA ARG 91 -1.464 5.313 -6.990 708 HB2 ARG 91 2HB ARG 91 -1.477 7.596 -8.017 709 HB3 ARG 91 1HB ARG 91 0.077 7.137 -7.370 710 HG2 ARG 91 2HG ARG 91 0.999 7.823 -9.302 711 HG3 ARG 91 1HG ARG 91 0.256 6.431 -10.088 712 HD2 ARG 91 2HD ARG 91 -1.163 9.107 -9.759 713 HD3 ARG 91 1HD ARG 91 -0.187 8.694 -11.170 714 HE ARG 91 HE ARG 91 -1.789 6.711 -11.385 715 HH11 ARG 91 1HH1 ARG 91 -2.884 9.773 -10.060 716 HH12 ARG 91 2HH1 ARG 91 -4.497 9.585 -10.674 717 HH21 ARG 91 1HH2 ARG 91 -3.851 6.497 -12.221 718 HH22 ARG 91 2HH2 ARG 91 -5.045 7.717 -11.914 719 H SER 92 HN SER 92 -3.540 4.770 -7.481 720 HA SER 92 HA SER 92 -4.365 4.497 -10.306 721 HB2 SER 92 2HB SER 92 -5.754 3.598 -7.756 722 HB3 SER 92 1HB SER 92 -6.290 3.254 -9.395 723 HG SER 92 HG SER 92 -4.388 2.020 -7.904 724 H ARG 93 HN ARG 93 -7.133 5.059 -10.081 725 HA ARG 93 HA ARG 93 -6.983 7.883 -10.437 726 HB2 ARG 93 2HB ARG 93 -8.552 6.408 -11.724 727 HB3 ARG 93 1HB ARG 93 -9.503 6.175 -10.258 728 HG2 ARG 93 2HG ARG 93 -9.971 8.610 -10.182 729 HG3 ARG 93 1HG ARG 93 -9.037 8.828 -11.662 730 HD2 ARG 93 2HD ARG 93 -10.666 7.412 -12.882 731 HD3 ARG 93 1HD ARG 93 -11.593 7.209 -11.385 732 HE ARG 93 HE ARG 93 -11.093 9.940 -12.332 733 HH11 ARG 93 1HH1 ARG 93 -13.426 7.340 -11.958 734 HH12 ARG 93 2HH1 ARG 93 -14.789 8.364 -12.268 735 HH21 ARG 93 1HH2 ARG 93 -12.882 11.264 -12.731 736 HH22 ARG 93 2HH2 ARG 93 -14.481 10.589 -12.687 737 H THR 94 HN THR 94 -8.970 6.032 -8.087 738 HA THR 94 HA THR 94 -9.319 8.303 -6.316 739 HB THR 94 HB THR 94 -9.945 5.341 -5.882 740 HG1 THR 94 HG1 THR 94 -11.750 5.712 -6.933 741 HG21 THR 94 3HG2 THR 94 -11.472 6.117 -4.089 742 HG22 THR 94 1HG2 THR 94 -10.903 7.774 -4.321 743 HG23 THR 94 2HG2 THR 94 -9.797 6.534 -3.728 744 H ALA 95 HN ALA 95 -7.415 5.344 -6.437 745 HA ALA 95 HA ALA 95 -6.213 5.589 -3.857 746 HB1 ALA 95 3HB ALA 95 -5.057 3.530 -4.406 747 HB2 ALA 95 1HB ALA 95 -5.505 3.697 -6.104 748 HB3 ALA 95 2HB ALA 95 -6.749 3.417 -4.889 749 H ASP 96 HN ASP 96 -5.593 7.669 -6.109 750 HA ASP 96 HA ASP 96 -3.100 7.629 -7.169 751 HB2 ASP 96 2HB ASP 96 -4.658 9.374 -7.691 752 HB3 ASP 96 1HB ASP 96 -4.670 9.954 -6.033 753 H SER 97 HN SER 97 -3.643 9.414 -4.091 754 HA SER 97 HA SER 97 -0.768 9.447 -3.557 755 HB2 SER 97 2HB SER 97 -3.080 10.569 -1.932 756 HB3 SER 97 1HB SER 97 -1.367 10.912 -1.676 757 HG SER 97 HG SER 97 -2.341 11.379 -4.240 758 H HIS 98 HN HIS 98 -3.151 7.252 -3.063 759 HA HIS 98 HA HIS 98 -2.907 6.676 -0.254 760 HB2 HIS 98 2HB HIS 98 -4.290 5.083 -2.461 761 HB3 HIS 98 1HB HIS 98 -4.509 4.862 -0.731 762 HD1 HIS 98 HD1 HIS 98 -7.073 5.200 -1.715 763 HD2 HIS 98 HD2 HIS 98 -4.668 8.580 -1.361 764 HE1 HIS 98 HE1 HIS 98 -8.658 7.160 -1.680 765 HE2 HIS 98 HE2 HIS 98 -7.184 9.168 -1.283 766 H LEU 99 HN LEU 99 -1.928 5.077 -3.298 767 HA LEU 99 HA LEU 99 -0.956 2.712 -2.090 768 HB2 LEU 99 2HB LEU 99 -0.097 3.765 -4.802 769 HB3 LEU 99 1HB LEU 99 -0.098 2.094 -4.261 770 HG LEU 99 HG LEU 99 -2.510 3.819 -4.931 771 HD11 LEU 99 1HD1 LEU 99 -2.943 2.143 -6.659 772 HD12 LEU 99 2HD1 LEU 99 -1.488 1.260 -6.191 773 HD13 LEU 99 3HD1 LEU 99 -1.356 2.883 -6.869 774 HD21 LEU 99 3HD2 LEU 99 -2.490 1.050 -3.700 775 HD22 LEU 99 1HD2 LEU 99 -3.908 1.848 -4.388 776 HD23 LEU 99 2HD2 LEU 99 -3.117 2.538 -2.974 777 H GLY 100 HN GLY 100 1.306 4.849 -3.988 778 HA2 GLY 100 2HA GLY 100 3.204 5.595 -2.243 779 HA3 GLY 100 1HA GLY 100 3.448 3.853 -2.227 780 H HIS 101 HN HIS 101 5.579 4.150 -3.003 781 HA HIS 101 HA HIS 101 5.888 5.034 -5.818 782 HB2 HIS 101 2HB HIS 101 7.809 5.637 -3.511 783 HB3 HIS 101 1HB HIS 101 8.046 6.091 -5.193 784 HD1 HIS 101 HD1 HIS 101 7.670 8.543 -5.462 785 HD2 HIS 101 HD2 HIS 101 5.118 6.929 -2.604 786 HE1 HIS 101 HE1 HIS 101 6.322 10.475 -4.573 787 HE2 HIS 101 HE2 HIS 101 4.889 9.488 -2.759 788 H VAL 102 HN VAL 102 7.613 3.845 -6.955 789 HA VAL 102 HA VAL 102 8.531 1.395 -5.580 790 HB VAL 102 HB VAL 102 7.864 -0.096 -7.363 791 HG11 VAL 102 1HG1 VAL 102 5.426 -0.081 -7.136 792 HG12 VAL 102 2HG1 VAL 102 5.465 1.596 -6.588 793 HG13 VAL 102 3HG1 VAL 102 6.187 0.329 -5.596 794 HG21 VAL 102 3HG2 VAL 102 8.059 1.380 -9.308 795 HG22 VAL 102 1HG2 VAL 102 6.633 2.285 -8.792 796 HG23 VAL 102 2HG2 VAL 102 6.478 0.598 -9.288 797 H PHE 103 HN PHE 103 10.416 0.483 -6.381 798 HA PHE 103 HA PHE 103 11.950 2.149 -8.299 799 HB2 PHE 103 2HB PHE 103 13.045 0.412 -6.042 800 HB3 PHE 103 1HB PHE 103 13.967 1.508 -7.070 801 HD1 PHE 103 HD1 PHE 103 13.072 4.048 -7.054 802 HD2 PHE 103 HD2 PHE 103 12.427 1.216 -3.912 803 HE1 PHE 103 HE1 PHE 103 12.673 5.888 -5.468 804 HE2 PHE 103 HE2 PHE 103 12.035 3.062 -2.336 805 HZ PHE 103 HZ PHE 103 12.146 5.398 -3.112 806 H ASN 104 HN ASN 104 13.349 1.068 -9.766 807 HA ASN 104 HA ASN 104 12.287 -1.506 -10.697 808 HB2 ASN 104 2HB ASN 104 12.651 0.594 -12.171 809 HB3 ASN 104 1HB ASN 104 14.371 0.260 -12.061 810 HD21 ASN 104 1HD2 ASN 104 11.319 -0.785 -13.403 811 HD22 ASN 104 2HD2 ASN 104 11.976 -1.918 -14.527 812 H ASP 105 HN ASP 105 14.286 -0.943 -8.381 813 HA ASP 105 HA ASP 105 16.678 -2.470 -9.106 814 HB2 ASP 105 2HB ASP 105 15.869 -1.161 -6.461 815 HB3 ASP 105 1HB ASP 105 17.445 -1.864 -6.820 816 H GLY 106 HN GLY 106 13.656 -3.388 -8.398 817 HA2 GLY 106 2HA GLY 106 14.409 -5.602 -6.561 818 HA3 GLY 106 1HA GLY 106 12.924 -4.690 -6.361 819 HA PRO 107 HA PRO 107 12.240 -8.221 -9.431 820 HB2 PRO 107 2HB PRO 107 11.829 -10.430 -7.879 821 HB3 PRO 107 1HB PRO 107 13.434 -9.917 -8.410 822 HG2 PRO 107 2HG PRO 107 12.203 -9.737 -5.715 823 HG3 PRO 107 1HG PRO 107 13.913 -9.806 -6.170 824 HD2 PRO 107 2HD PRO 107 12.371 -7.471 -5.479 825 HD3 PRO 107 1HD PRO 107 14.071 -7.537 -5.987 826 H GLY 108 HN GLY 108 10.251 -8.183 -10.225 827 HA2 GLY 108 2HA GLY 108 7.898 -8.897 -8.685 828 HA3 GLY 108 1HA GLY 108 7.935 -7.217 -9.218 829 HA PRO 109 HA PRO 109 5.860 -9.867 -12.571 830 HB2 PRO 109 2HB PRO 109 4.154 -7.391 -12.692 831 HB3 PRO 109 1HB PRO 109 3.668 -9.092 -12.702 832 HG2 PRO 109 2HG PRO 109 3.317 -7.605 -10.519 833 HG3 PRO 109 1HG PRO 109 3.860 -9.290 -10.372 834 HD2 PRO 109 2HD PRO 109 5.492 -6.749 -10.185 835 HD3 PRO 109 1HD PRO 109 5.558 -8.208 -9.168 836 H ASN 110 HN ASN 110 6.534 -6.388 -12.551 837 HA ASN 110 HA ASN 110 7.356 -6.408 -15.398 838 HB2 ASN 110 2HB ASN 110 5.743 -4.659 -14.785 839 HB3 ASN 110 1HB ASN 110 6.778 -4.110 -13.476 840 HD21 ASN 110 1HD2 ASN 110 7.077 -2.057 -14.172 841 HD22 ASN 110 2HD2 ASN 110 7.900 -1.626 -15.624 842 H GLY 111 HN GLY 111 8.641 -6.621 -12.280 843 HA2 GLY 111 2HA GLY 111 10.902 -6.744 -11.659 844 HA3 GLY 111 1HA GLY 111 11.355 -5.831 -13.093 845 H LEU 112 HN LEU 112 8.911 -5.102 -10.665 846 HA LEU 112 HA LEU 112 10.339 -2.636 -9.889 847 HB2 LEU 112 2HB LEU 112 7.351 -3.204 -9.935 848 HB3 LEU 112 1HB LEU 112 8.067 -1.766 -9.213 849 HG LEU 112 HG LEU 112 8.250 -2.501 -12.171 850 HD11 LEU 112 1HD1 LEU 112 6.563 -0.382 -10.815 851 HD12 LEU 112 2HD1 LEU 112 5.974 -1.877 -11.544 852 HD13 LEU 112 3HD1 LEU 112 6.717 -0.642 -12.554 853 HD21 LEU 112 3HD2 LEU 112 9.175 0.000 -10.705 854 HD22 LEU 112 1HD2 LEU 112 9.168 -0.216 -12.461 855 HD23 LEU 112 2HD2 LEU 112 10.211 -1.219 -11.457 856 H ARG 113 HN ARG 113 9.817 -1.923 -7.665 857 HA ARG 113 HA ARG 113 9.485 -4.117 -5.705 858 HB2 ARG 113 2HB ARG 113 11.876 -3.626 -5.867 859 HB3 ARG 113 1HB ARG 113 11.580 -1.899 -5.720 860 HG2 ARG 113 2HG ARG 113 10.751 -2.268 -3.401 861 HG3 ARG 113 1HG ARG 113 11.117 -3.988 -3.561 862 HD2 ARG 113 2HD ARG 113 13.476 -3.546 -3.733 863 HD3 ARG 113 1HD ARG 113 13.198 -1.805 -3.875 864 HE ARG 113 HE ARG 113 12.126 -2.219 -1.501 865 HH11 ARG 113 1HH1 ARG 113 15.119 -3.593 -2.709 866 HH12 ARG 113 2HH1 ARG 113 15.871 -3.613 -1.146 867 HH21 ARG 113 1HH2 ARG 113 13.116 -2.238 0.523 868 HH22 ARG 113 2HH2 ARG 113 14.727 -2.854 0.687 869 H TYR 114 HN TYR 114 7.641 -3.609 -4.674 870 HA TYR 114 HA TYR 114 6.553 -0.939 -4.770 871 HB2 TYR 114 2HB TYR 114 5.472 -3.523 -3.576 872 HB3 TYR 114 1HB TYR 114 4.565 -2.011 -3.676 873 HD1 TYR 114 HD2 TYR 114 6.182 -4.677 -5.759 874 HD2 TYR 114 HD1 TYR 114 3.505 -1.334 -5.755 875 HE1 TYR 114 HE2 TYR 114 5.503 -5.200 -8.068 876 HE2 TYR 114 HE1 TYR 114 2.844 -1.861 -8.052 877 HH TYR 114 HH TYR 114 3.463 -4.763 -9.521 878 H CYS 115 HN CYS 115 7.557 0.497 -3.474 879 HA CYS 115 HA CYS 115 8.244 -0.296 -0.687 880 HB2 CYS 115 2HB CYS 115 9.368 1.966 -2.397 881 HB3 CYS 115 1HB CYS 115 9.856 1.590 -0.743 882 HG CYS 115 HG CYS 115 10.528 -0.097 -3.605 883 H ILE 116 HN ILE 116 6.446 0.134 0.404 884 HA ILE 116 HA ILE 116 4.847 2.528 -0.258 885 HB ILE 116 HB ILE 116 3.891 -0.106 0.967 886 HG12 ILE 116 2HG1 ILE 116 4.721 -0.487 -1.370 887 HG13 ILE 116 1HG1 ILE 116 2.990 -0.746 -1.225 888 HG21 ILE 116 1HG2 ILE 116 2.343 2.221 -0.197 889 HG22 ILE 116 2HG2 ILE 116 2.447 1.781 1.502 890 HG23 ILE 116 3HG2 ILE 116 1.630 0.711 0.364 891 HD11 ILE 116 3HD1 ILE 116 2.562 1.398 -2.291 892 HD12 ILE 116 1HD1 ILE 116 3.600 0.384 -3.294 893 HD13 ILE 116 2HD1 ILE 116 4.300 1.718 -2.377 894 H ASN 117 HN ASN 117 4.070 3.784 1.473 895 HA ASN 117 HA ASN 117 5.613 3.683 3.922 896 HB2 ASN 117 2HB ASN 117 3.536 5.636 2.840 897 HB3 ASN 117 1HB ASN 117 4.422 5.865 4.342 898 HD21 ASN 117 1HD2 ASN 117 4.656 5.879 0.844 899 HD22 ASN 117 2HD2 ASN 117 6.205 6.642 0.759 900 H SER 118 HN SER 118 4.924 2.595 5.683 901 HA SER 118 HA SER 118 2.513 1.121 5.714 902 HB2 SER 118 2HB SER 118 3.202 0.367 7.939 903 HB3 SER 118 1HB SER 118 4.588 0.390 6.853 904 HG SER 118 HG SER 118 4.842 1.313 9.029 905 H ALA 119 HN ALA 119 3.255 4.301 6.924 906 HA ALA 119 HA ALA 119 1.193 4.677 8.814 907 HB1 ALA 119 3HB ALA 119 2.445 6.734 6.974 908 HB2 ALA 119 1HB ALA 119 3.062 6.243 8.550 909 HB3 ALA 119 2HB ALA 119 1.515 7.083 8.434 910 H ALA 120 HN ALA 120 1.210 4.762 5.301 911 HA ALA 120 HA ALA 120 -1.463 5.827 5.005 912 HB1 ALA 120 3HB ALA 120 0.245 6.266 3.296 913 HB2 ALA 120 1HB ALA 120 -1.128 5.403 2.602 914 HB3 ALA 120 2HB ALA 120 0.371 4.538 2.960 915 H LEU 121 HN LEU 121 -0.295 2.848 5.963 916 HA LEU 121 HA LEU 121 -2.356 1.232 4.587 917 HB2 LEU 121 2HB LEU 121 0.281 0.293 5.762 918 HB3 LEU 121 1HB LEU 121 -0.849 -0.662 4.805 919 HG LEU 121 HG LEU 121 0.816 1.683 3.812 920 HD11 LEU 121 1HD1 LEU 121 1.053 -1.283 3.251 921 HD12 LEU 121 2HD1 LEU 121 2.155 -0.294 4.214 922 HD13 LEU 121 3HD1 LEU 121 2.002 -0.007 2.489 923 HD21 LEU 121 3HD2 LEU 121 -0.052 1.143 1.563 924 HD22 LEU 121 1HD2 LEU 121 -1.334 1.660 2.658 925 HD23 LEU 121 2HD2 LEU 121 -1.145 -0.054 2.267 926 H ARG 122 HN ARG 122 -3.180 -0.608 5.771 927 HA ARG 122 HA ARG 122 -3.219 -0.444 8.714 928 HB2 ARG 122 2HB ARG 122 -5.152 0.921 7.930 929 HB3 ARG 122 1HB ARG 122 -5.724 -0.429 6.954 930 HG2 ARG 122 2HG ARG 122 -6.042 -1.750 9.068 931 HG3 ARG 122 1HG ARG 122 -5.573 -0.320 9.992 932 HD2 ARG 122 2HD ARG 122 -7.977 -0.469 9.965 933 HD3 ARG 122 1HD ARG 122 -7.501 0.905 8.963 934 HE ARG 122 HE ARG 122 -7.943 -1.623 7.577 935 HH11 ARG 122 1HH1 ARG 122 -9.299 1.506 8.430 936 HH12 ARG 122 2HH1 ARG 122 -10.618 1.371 7.309 937 HH21 ARG 122 1HH2 ARG 122 -9.665 -1.780 6.106 938 HH22 ARG 122 2HH2 ARG 122 -10.817 -0.492 5.984 939 H PHE 123 HN PHE 123 -3.024 -2.437 9.517 940 HA PHE 123 HA PHE 123 -3.220 -4.809 7.931 941 HB2 PHE 123 2HB PHE 123 -2.676 -6.039 9.951 942 HB3 PHE 123 1HB PHE 123 -1.636 -4.635 9.835 943 HD1 PHE 123 HD1 PHE 123 -2.379 -2.519 11.252 944 HD2 PHE 123 HD2 PHE 123 -3.743 -6.503 12.014 945 HE1 PHE 123 HE1 PHE 123 -2.919 -1.897 13.571 946 HE2 PHE 123 HE2 PHE 123 -4.283 -5.869 14.328 947 HZ PHE 123 HZ PHE 123 -3.868 -3.570 15.110 948 H VAL 124 HN VAL 124 -4.948 -6.050 7.617 949 HA VAL 124 HA VAL 124 -7.352 -5.698 9.299 950 HB VAL 124 HB VAL 124 -7.369 -6.461 6.335 951 HG11 VAL 124 1HG1 VAL 124 -9.320 -7.265 7.625 952 HG12 VAL 124 2HG1 VAL 124 -9.805 -6.002 6.492 953 HG13 VAL 124 3HG1 VAL 124 -9.632 -5.626 8.209 954 HG21 VAL 124 3HG2 VAL 124 -8.123 -4.172 5.823 955 HG22 VAL 124 1HG2 VAL 124 -6.534 -4.130 6.596 956 HG23 VAL 124 2HG2 VAL 124 -7.977 -3.714 7.523 957 HA PRO 125 HA PRO 125 -5.632 -9.921 9.983 958 HB2 PRO 125 2HB PRO 125 -7.539 -9.815 12.301 959 HB3 PRO 125 1HB PRO 125 -5.819 -10.228 12.272 960 HG2 PRO 125 2HG PRO 125 -6.634 -7.883 13.259 961 HG3 PRO 125 1HG PRO 125 -5.139 -7.988 12.303 962 HD2 PRO 125 2HD PRO 125 -7.878 -7.039 11.444 963 HD3 PRO 125 1HD PRO 125 -6.282 -6.331 11.097 964 H LYS 126 HN LYS 126 -6.505 -11.968 9.875 965 HA LYS 126 HA LYS 126 -8.618 -12.721 8.375 966 HB2 LYS 126 2HB LYS 126 -8.417 -14.957 9.368 967 HB3 LYS 126 1HB LYS 126 -6.831 -14.249 9.126 968 HG2 LYS 126 2HG LYS 126 -8.256 -14.300 11.815 969 HG3 LYS 126 1HG LYS 126 -7.132 -15.545 11.275 970 HD2 LYS 126 2HD LYS 126 -5.326 -13.834 11.135 971 HD3 LYS 126 1HD LYS 126 -6.461 -12.605 11.706 972 HE2 LYS 126 2HE LYS 126 -5.080 -13.344 13.563 973 HE3 LYS 126 1HE LYS 126 -6.733 -13.899 13.826 974 HZ1 LYS 126 3HZ LYS 126 -4.507 -15.553 12.759 975 HZ2 LYS 126 1HZ LYS 126 -6.083 -16.091 13.063 976 HZ3 LYS 126 2HZ LYS 126 -5.097 -15.599 14.343 977 H HIS 127 HN HIS 127 -8.852 -11.814 11.757 978 HA HIS 127 HA HIS 127 -11.484 -12.674 12.339 979 HB2 HIS 127 2HB HIS 127 -9.936 -11.982 14.113 980 HB3 HIS 127 1HB HIS 127 -9.866 -10.346 13.469 981 HD1 HIS 127 HD1 HIS 127 -12.148 -12.695 15.334 982 HD2 HIS 127 HD2 HIS 127 -11.908 -8.672 14.326 983 HE1 HIS 127 HE1 HIS 127 -13.946 -11.563 16.671 984 HE2 HIS 127 HE2 HIS 127 -13.833 -9.134 15.989 985 H LYS 128 HN LYS 128 -10.265 -9.774 10.789 986 HA LYS 128 HA LYS 128 -12.835 -8.392 10.881 987 HB2 LYS 128 2HB LYS 128 -10.039 -7.517 10.059 988 HB3 LYS 128 1HB LYS 128 -11.454 -6.495 9.832 989 HG2 LYS 128 2HG LYS 128 -10.396 -7.505 12.481 990 HG3 LYS 128 1HG LYS 128 -10.206 -5.875 11.834 991 HD2 LYS 128 2HD LYS 128 -12.831 -7.200 12.636 992 HD3 LYS 128 1HD LYS 128 -11.959 -5.978 13.557 993 HE2 LYS 128 2HE LYS 128 -13.669 -4.755 12.521 994 HE3 LYS 128 1HE LYS 128 -12.292 -4.459 11.464 995 HZ1 LYS 128 3HZ LYS 128 -13.154 -6.049 9.910 996 HZ2 LYS 128 1HZ LYS 128 -14.373 -4.946 10.290 997 HZ3 LYS 128 2HZ LYS 128 -14.396 -6.494 10.967 998 H LEU 129 HN LEU 129 -10.866 -10.188 8.625 999 HA LEU 129 HA LEU 129 -11.418 -8.781 6.240 1000 HB2 LEU 129 2HB LEU 129 -10.692 -11.674 6.720 1001 HB3 LEU 129 1HB LEU 129 -10.775 -10.966 5.116 1002 HG LEU 129 HG LEU 129 -8.900 -10.008 7.305 1003 HD11 LEU 129 1HD1 LEU 129 -8.312 -11.735 4.895 1004 HD12 LEU 129 2HD1 LEU 129 -8.318 -12.275 6.577 1005 HD13 LEU 129 3HD1 LEU 129 -7.122 -11.094 6.033 1006 HD21 LEU 129 3HD2 LEU 129 -9.025 -9.308 4.363 1007 HD22 LEU 129 1HD2 LEU 129 -7.827 -8.730 5.524 1008 HD23 LEU 129 2HD2 LEU 129 -9.518 -8.259 5.696 1009 H LYS 130 HN LYS 130 -13.184 -11.395 7.815 1010 HA LYS 130 HA LYS 130 -14.904 -12.136 5.705 1011 HB2 LYS 130 2HB LYS 130 -16.262 -13.196 7.539 1012 HB3 LYS 130 1HB LYS 130 -14.547 -13.592 7.607 1013 HG2 LYS 130 2HG LYS 130 -14.301 -11.763 9.367 1014 HG3 LYS 130 1HG LYS 130 -16.063 -11.661 9.389 1015 HD2 LYS 130 2HD LYS 130 -15.300 -13.068 11.226 1016 HD3 LYS 130 1HD LYS 130 -16.177 -14.060 10.054 1017 HE2 LYS 130 2HE LYS 130 -14.043 -14.884 9.134 1018 HE3 LYS 130 1HE LYS 130 -13.138 -13.841 10.236 1019 HZ1 LYS 130 3HZ LYS 130 -14.881 -16.125 10.976 1020 HZ2 LYS 130 1HZ LYS 130 -14.145 -15.080 12.083 1021 HZ3 LYS 130 2HZ LYS 130 -13.195 -16.052 11.084 1022 H GLU 131 HN GLU 131 -15.050 -9.588 8.093 1023 HA GLU 131 HA GLU 131 -17.830 -8.888 7.662 1024 HB2 GLU 131 2HB GLU 131 -15.608 -7.372 9.134 1025 HB3 GLU 131 1HB GLU 131 -17.344 -7.059 9.258 1026 HG2 GLU 131 2HG GLU 131 -17.717 -9.198 10.334 1027 HG3 GLU 131 1HG GLU 131 -16.042 -9.679 10.066 1028 H GLU 132 HN GLU 132 -14.632 -7.865 6.553 1029 HA GLU 132 HA GLU 132 -15.626 -5.638 4.971 1030 HB2 GLU 132 2HB GLU 132 -12.902 -6.901 5.411 1031 HB3 GLU 132 1HB GLU 132 -13.150 -5.821 4.050 1032 HG2 GLU 132 2HG GLU 132 -12.227 -4.511 5.794 1033 HG3 GLU 132 1HG GLU 132 -13.913 -4.046 5.627 1034 H GLY 133 HN GLY 133 -16.092 -8.896 4.484 1035 HA2 GLY 133 2HA GLY 133 -17.570 -9.260 2.660 1036 HA3 GLY 133 1HA GLY 133 -16.496 -8.348 1.614 1037 H TYR 134 HN TYR 134 -14.430 -10.086 3.449 1038 HA TYR 134 HA TYR 134 -13.138 -11.866 3.312 1039 HB2 TYR 134 2HB TYR 134 -14.074 -13.949 3.481 1040 HB3 TYR 134 1HB TYR 134 -15.494 -12.971 3.744 1041 HD1 TYR 134 HD1 TYR 134 -13.787 -15.263 1.370 1042 HD2 TYR 134 HD2 TYR 134 -17.367 -13.060 2.149 1043 HE1 TYR 134 HE1 TYR 134 -14.954 -16.550 -0.366 1044 HE2 TYR 134 HE2 TYR 134 -18.529 -14.340 0.406 1045 HH TYR 134 HH TYR 134 -17.914 -15.584 -1.669 1046 H GLU 135 HN GLU 135 -14.591 -11.090 0.272 1047 HA GLU 135 HA GLU 135 -13.457 -12.797 -1.563 1048 HB2 GLU 135 2HB GLU 135 -14.303 -9.884 -1.791 1049 HB3 GLU 135 1HB GLU 135 -13.794 -10.819 -3.195 1050 HG2 GLU 135 2HG GLU 135 -16.117 -11.574 -1.395 1051 HG3 GLU 135 1HG GLU 135 -16.276 -10.649 -2.891 1052 H SER 136 HN SER 136 -11.878 -10.391 0.238 1053 HA SER 136 HA SER 136 -10.134 -9.396 -1.833 1054 HB2 SER 136 2HB SER 136 -10.183 -8.768 1.142 1055 HB3 SER 136 1HB SER 136 -9.519 -7.776 -0.159 1056 HG SER 136 HG SER 136 -11.918 -8.051 -0.915 1057 H TYR 137 HN TYR 137 -9.816 -11.258 1.165 1058 HA TYR 137 HA TYR 137 -7.085 -12.138 0.378 1059 HB2 TYR 137 2HB TYR 137 -7.323 -11.031 2.600 1060 HB3 TYR 137 1HB TYR 137 -8.460 -12.263 3.097 1061 HD1 TYR 137 HD2 TYR 137 -4.881 -11.633 2.253 1062 HD2 TYR 137 HD1 TYR 137 -7.662 -14.400 3.954 1063 HE1 TYR 137 HE2 TYR 137 -3.023 -12.949 3.180 1064 HE2 TYR 137 HE1 TYR 137 -5.800 -15.700 4.887 1065 HH TYR 137 HH TYR 137 -3.378 -16.066 4.404 1066 H LEU 138 HN LEU 138 -10.198 -13.343 1.616 1067 HA LEU 138 HA LEU 138 -9.240 -16.016 1.932 1068 HB2 LEU 138 2HB LEU 138 -12.065 -14.891 2.073 1069 HB3 LEU 138 1HB LEU 138 -11.633 -16.542 2.489 1070 HG LEU 138 HG LEU 138 -10.167 -15.639 4.340 1071 HD11 LEU 138 1HD1 LEU 138 -10.502 -13.320 5.138 1072 HD12 LEU 138 2HD1 LEU 138 -11.445 -12.963 3.692 1073 HD13 LEU 138 3HD1 LEU 138 -9.734 -13.359 3.546 1074 HD21 LEU 138 3HD2 LEU 138 -12.431 -16.460 4.814 1075 HD22 LEU 138 1HD2 LEU 138 -13.084 -14.845 4.506 1076 HD23 LEU 138 2HD2 LEU 138 -11.994 -15.115 5.870 1077 H HIS 139 HN HIS 139 -11.055 -14.321 -0.595 1078 HA HIS 139 HA HIS 139 -11.252 -16.734 -2.221 1079 HB2 HIS 139 2HB HIS 139 -13.059 -14.925 -2.169 1080 HB3 HIS 139 1HB HIS 139 -11.961 -13.910 -3.094 1081 HD1 HIS 139 HD1 HIS 139 -14.600 -14.525 -4.333 1082 HD2 HIS 139 HD2 HIS 139 -11.318 -16.995 -4.891 1083 HE1 HIS 139 HE1 HIS 139 -15.048 -15.744 -6.479 1084 HE2 HIS 139 HE2 HIS 139 -13.126 -17.363 -6.694 1085 H LEU 140 HN LEU 140 -9.487 -13.580 -2.402 1086 HA LEU 140 HA LEU 140 -8.223 -14.145 -4.893 1087 HB2 LEU 140 2HB LEU 140 -7.426 -12.125 -2.772 1088 HB3 LEU 140 1HB LEU 140 -6.744 -12.187 -4.394 1089 HG LEU 140 HG LEU 140 -9.621 -11.513 -3.667 1090 HD11 LEU 140 1HD1 LEU 140 -9.103 -9.291 -4.548 1091 HD12 LEU 140 2HD1 LEU 140 -7.431 -9.779 -4.837 1092 HD13 LEU 140 3HD1 LEU 140 -8.061 -9.707 -3.185 1093 HD21 LEU 140 3HD2 LEU 140 -9.633 -12.766 -5.751 1094 HD22 LEU 140 1HD2 LEU 140 -8.370 -11.730 -6.424 1095 HD23 LEU 140 2HD2 LEU 140 -9.971 -11.070 -6.073 1096 H PHE 141 HN PHE 141 -6.884 -14.170 -1.590 1097 HA PHE 141 HA PHE 141 -4.320 -15.229 -2.352 1098 HB2 PHE 141 2HB PHE 141 -4.710 -13.802 -0.310 1099 HB3 PHE 141 1HB PHE 141 -5.594 -15.126 0.424 1100 HD1 PHE 141 HD2 PHE 141 -4.350 -17.218 1.126 1101 HD2 PHE 141 HD1 PHE 141 -2.291 -13.737 -0.276 1102 HE1 PHE 141 HE2 PHE 141 -2.254 -18.051 2.110 1103 HE2 PHE 141 HE1 PHE 141 -0.209 -14.584 0.714 1104 HZ PHE 141 HZ PHE 141 -0.184 -16.737 1.903 1105 H ASN 142 HN ASN 142 -7.297 -16.652 -0.901 1106 HA ASN 142 HA ASN 142 -6.149 -19.357 -1.348 1107 HB2 ASN 142 2HB ASN 142 -7.032 -18.847 0.980 1108 HB3 ASN 142 1HB ASN 142 -8.644 -18.711 0.290 1109 HD21 ASN 142 1HD2 ASN 142 -9.642 -20.647 -0.581 1110 HD22 ASN 142 2HD2 ASN 142 -9.084 -22.222 -0.127 1111 H LYS 143 HN LYS 143 -6.426 -19.143 -3.579 1112 HA LYS 143 HA LYS 143 -9.040 -18.799 -4.799 1113 HB2 LYS 143 2HB LYS 143 -7.774 -18.990 -6.927 1114 HB3 LYS 143 1HB LYS 143 -7.078 -17.795 -5.837 1115 HG2 LYS 143 2HG LYS 143 -5.396 -19.579 -5.130 1116 HG3 LYS 143 1HG LYS 143 -6.008 -20.573 -6.453 1117 HD2 LYS 143 2HD LYS 143 -3.989 -19.420 -7.179 1118 HD3 LYS 143 1HD LYS 143 -5.373 -18.761 -8.061 1119 HE2 LYS 143 2HE LYS 143 -5.403 -16.797 -6.567 1120 HE3 LYS 143 1HE LYS 143 -4.082 -17.477 -5.614 1121 HZ1 LYS 143 3HZ LYS 143 -3.882 -16.780 -8.488 1122 HZ2 LYS 143 1HZ LYS 143 -2.621 -17.259 -7.473 1123 HZ3 LYS 143 2HZ LYS 143 -3.388 -15.769 -7.229 1124 H LEU 144 HN LEU 144 -7.656 -21.351 -3.280 1125 HA LEU 144 HA LEU 144 -9.303 -23.312 -4.751 1126 HB2 LEU 144 2HB LEU 144 -6.747 -23.491 -5.223 1127 HB3 LEU 144 1HB LEU 144 -6.574 -24.017 -3.566 1128 HG LEU 144 HG LEU 144 -6.553 -25.872 -5.241 1129 HD11 LEU 144 1HD1 LEU 144 -7.127 -26.406 -2.951 1130 HD12 LEU 144 2HD1 LEU 144 -8.038 -27.421 -4.068 1131 HD13 LEU 144 3HD1 LEU 144 -8.831 -26.061 -3.262 1132 HD21 LEU 144 3HD2 LEU 144 -8.137 -24.945 -6.852 1133 HD22 LEU 144 1HD2 LEU 144 -9.467 -25.176 -5.712 1134 HD23 LEU 144 2HD2 LEU 144 -8.604 -26.572 -6.369 1135 H GLU 145 HN GLU 145 -10.922 -23.236 -3.236 1136 HA GLU 145 HA GLU 145 -10.412 -23.801 -0.423 1137 HB2 GLU 145 2HB GLU 145 -12.222 -22.221 -0.933 1138 HB3 GLU 145 1HB GLU 145 -13.027 -23.411 -1.947 1139 HG2 GLU 145 2HG GLU 145 -13.419 -24.843 0.029 1140 HG3 GLU 145 1HG GLU 145 -12.582 -23.667 1.044 1141 H HIS 146 HN HIS 146 -10.013 -25.865 0.137 1142 HA HIS 146 HA HIS 146 -11.782 -28.002 -0.825 1143 HB2 HIS 146 2HB HIS 146 -9.740 -28.183 -2.232 1144 HB3 HIS 146 1HB HIS 146 -8.742 -28.289 -0.784 1145 HD1 HIS 146 HD1 HIS 146 -8.336 -30.592 0.102 1146 HD2 HIS 146 HD2 HIS 146 -11.604 -30.479 -2.460 1147 HE1 HIS 146 HE1 HIS 146 -9.040 -32.980 -0.184 1148 HE2 HIS 146 HE2 HIS 146 -10.996 -32.904 -1.771 1149 H HIS 147 HN HIS 147 -12.781 -28.288 1.063 1150 HA HIS 147 HA HIS 147 -11.199 -29.164 3.407 1151 HB2 HIS 147 2HB HIS 147 -12.565 -27.178 3.925 1152 HB3 HIS 147 1HB HIS 147 -14.014 -27.966 3.310 1153 HD1 HIS 147 HD1 HIS 147 -14.964 -29.953 4.767 1154 HD2 HIS 147 HD2 HIS 147 -11.933 -27.753 6.572 1155 HE1 HIS 147 HE1 HIS 147 -15.066 -30.551 7.202 1156 HE2 HIS 147 HE2 HIS 147 -13.322 -29.093 8.303 Start of MODEL 4 1 H1 MET 1 1H MET 1 -17.040 15.283 21.047 2 H2 MET 1 2H MET 1 -17.403 13.680 20.652 3 H3 MET 1 3H MET 1 -18.314 14.940 19.992 4 HA MET 1 HA MET 1 -16.466 15.735 18.742 5 HB2 MET 1 2HB MET 1 -14.971 13.397 20.008 6 HB3 MET 1 1HB MET 1 -14.357 14.353 18.667 7 HG2 MET 1 2HG MET 1 -14.332 16.343 20.112 8 HG3 MET 1 1HG MET 1 -14.923 15.363 21.459 9 HE1 MET 1 3HE MET 1 -11.078 16.129 22.230 10 HE2 MET 1 1HE MET 1 -12.722 16.342 22.822 11 HE3 MET 1 2HE MET 1 -12.196 17.183 21.367 12 H ALA 2 HN ALA 2 -17.696 15.292 16.992 13 HA ALA 2 HA ALA 2 -18.649 12.657 16.319 14 HB1 ALA 2 3HB ALA 2 -19.993 14.670 15.855 15 HB2 ALA 2 1HB ALA 2 -19.673 13.768 14.374 16 HB3 ALA 2 2HB ALA 2 -18.766 15.243 14.724 17 H TYR 3 HN TYR 3 -16.802 11.389 16.026 18 HA TYR 3 HA TYR 3 -14.870 12.067 13.940 19 HB2 TYR 3 2HB TYR 3 -15.079 9.702 15.848 20 HB3 TYR 3 1HB TYR 3 -13.854 9.813 14.588 21 HD1 TYR 3 HD2 TYR 3 -12.674 12.320 14.582 22 HD2 TYR 3 HD1 TYR 3 -14.291 10.315 17.999 23 HE1 TYR 3 HE2 TYR 3 -11.221 13.650 16.051 24 HE2 TYR 3 HE1 TYR 3 -12.834 11.647 19.455 25 HH TYR 3 HH TYR 3 -11.188 14.399 18.428 26 H ASN 4 HN ASN 4 -16.117 12.109 12.146 27 HA ASN 4 HA ASN 4 -17.652 9.894 11.123 28 HB2 ASN 4 2HB ASN 4 -16.570 12.363 9.679 29 HB3 ASN 4 1HB ASN 4 -17.787 11.258 9.049 30 HD21 ASN 4 1HD2 ASN 4 -19.238 12.974 8.767 31 HD22 ASN 4 2HD2 ASN 4 -20.049 13.724 10.097 32 H LYS 5 HN LYS 5 -17.064 8.829 9.011 33 HA LYS 5 HA LYS 5 -14.462 7.854 8.704 34 HB2 LYS 5 2HB LYS 5 -15.173 7.236 6.364 35 HB3 LYS 5 1HB LYS 5 -16.294 6.719 7.614 36 HG2 LYS 5 2HG LYS 5 -17.785 8.614 7.073 37 HG3 LYS 5 1HG LYS 5 -16.664 9.150 5.825 38 HD2 LYS 5 2HD LYS 5 -17.900 6.377 5.739 39 HD3 LYS 5 1HD LYS 5 -18.770 7.777 5.122 40 HE2 LYS 5 2HE LYS 5 -17.639 6.609 3.300 41 HE3 LYS 5 1HE LYS 5 -16.936 8.210 3.516 42 HZ1 LYS 5 3HZ LYS 5 -15.049 7.256 4.573 43 HZ2 LYS 5 1HZ LYS 5 -15.313 6.421 3.125 44 HZ3 LYS 5 2HZ LYS 5 -15.751 5.716 4.597 45 H GLU 6 HN GLU 6 -16.006 10.694 7.273 46 HA GLU 6 HA GLU 6 -13.865 11.642 5.683 47 HB2 GLU 6 2HB GLU 6 -16.156 12.550 5.493 48 HB3 GLU 6 1HB GLU 6 -16.029 13.249 7.105 49 HG2 GLU 6 2HG GLU 6 -14.130 14.686 6.249 50 HG3 GLU 6 1HG GLU 6 -14.457 14.054 4.635 51 H GLU 7 HN GLU 7 -14.783 12.426 9.041 52 HA GLU 7 HA GLU 7 -12.748 14.253 9.652 53 HB2 GLU 7 2HB GLU 7 -14.835 13.870 10.991 54 HB3 GLU 7 1HB GLU 7 -14.162 12.350 11.564 55 HG2 GLU 7 2HG GLU 7 -13.968 14.109 13.252 56 HG3 GLU 7 1HG GLU 7 -12.381 13.539 12.736 57 H LYS 8 HN LYS 8 -12.712 10.772 9.552 58 HA LYS 8 HA LYS 8 -10.221 10.324 10.894 59 HB2 LYS 8 2HB LYS 8 -11.915 8.515 10.462 60 HB3 LYS 8 1HB LYS 8 -11.532 8.601 8.755 61 HG2 LYS 8 2HG LYS 8 -10.334 6.718 9.489 62 HG3 LYS 8 1HG LYS 8 -9.107 7.975 9.438 63 HD2 LYS 8 2HD LYS 8 -10.560 7.213 12.008 64 HD3 LYS 8 1HD LYS 8 -9.097 6.393 11.475 65 HE2 LYS 8 2HE LYS 8 -7.829 8.483 11.638 66 HE3 LYS 8 1HE LYS 8 -9.293 9.366 12.069 67 HZ1 LYS 8 3HZ LYS 8 -8.045 8.894 14.021 68 HZ2 LYS 8 1HZ LYS 8 -7.978 7.245 13.654 69 HZ3 LYS 8 2HZ LYS 8 -9.455 7.962 14.054 70 H ILE 9 HN ILE 9 -11.168 10.668 7.488 71 HA ILE 9 HA ILE 9 -8.688 10.259 6.247 72 HB ILE 9 HB ILE 9 -11.023 11.959 5.256 73 HG12 ILE 9 2HG1 ILE 9 -11.841 9.737 5.667 74 HG13 ILE 9 1HG1 ILE 9 -11.613 9.862 3.933 75 HG21 ILE 9 1HG2 ILE 9 -10.160 11.562 2.972 76 HG22 ILE 9 2HG2 ILE 9 -8.750 10.739 3.643 77 HG23 ILE 9 3HG2 ILE 9 -8.999 12.458 3.955 78 HD11 ILE 9 3HD1 ILE 9 -9.426 8.670 4.236 79 HD12 ILE 9 1HD1 ILE 9 -10.868 7.730 4.628 80 HD13 ILE 9 2HD1 ILE 9 -9.885 8.412 5.920 81 H LYS 10 HN LYS 10 -10.149 13.250 7.479 82 HA LYS 10 HA LYS 10 -8.459 15.174 6.435 83 HB2 LYS 10 2HB LYS 10 -9.879 15.088 9.131 84 HB3 LYS 10 1HB LYS 10 -9.165 16.544 8.440 85 HG2 LYS 10 2HG LYS 10 -10.751 16.572 6.633 86 HG3 LYS 10 1HG LYS 10 -11.337 14.959 7.043 87 HD2 LYS 10 2HD LYS 10 -12.932 16.686 7.761 88 HD3 LYS 10 1HD LYS 10 -12.284 15.805 9.146 89 HE2 LYS 10 2HE LYS 10 -10.679 17.703 9.523 90 HE3 LYS 10 1HE LYS 10 -11.478 18.592 8.224 91 HZ1 LYS 10 3HZ LYS 10 -13.523 18.534 9.491 92 HZ2 LYS 10 1HZ LYS 10 -12.285 19.224 10.418 93 HZ3 LYS 10 2HZ LYS 10 -12.782 17.632 10.714 94 H SER 11 HN SER 11 -8.186 13.652 9.658 95 HA SER 11 HA SER 11 -5.640 14.665 10.371 96 HB2 SER 11 2HB SER 11 -7.010 12.102 11.309 97 HB3 SER 11 1HB SER 11 -5.712 12.955 12.152 98 HG SER 11 HG SER 11 -8.005 13.350 12.798 99 H LEU 12 HN LEU 12 -6.628 11.462 9.179 100 HA LEU 12 HA LEU 12 -4.384 10.083 8.879 101 HB2 LEU 12 2HB LEU 12 -6.724 9.394 8.430 102 HB3 LEU 12 1HB LEU 12 -6.658 10.240 6.893 103 HG LEU 12 HG LEU 12 -4.864 8.666 6.142 104 HD11 LEU 12 1HD1 LEU 12 -5.451 7.206 8.739 105 HD12 LEU 12 2HD1 LEU 12 -3.949 8.041 8.324 106 HD13 LEU 12 3HD1 LEU 12 -4.438 6.614 7.416 107 HD21 LEU 12 3HD2 LEU 12 -7.466 7.365 7.010 108 HD22 LEU 12 1HD2 LEU 12 -6.378 6.781 5.748 109 HD23 LEU 12 2HD2 LEU 12 -7.218 8.315 5.540 110 H ASN 13 HN ASN 13 -5.539 12.390 6.376 111 HA ASN 13 HA ASN 13 -3.524 11.631 4.463 112 HB2 ASN 13 2HB ASN 13 -5.602 13.834 4.517 113 HB3 ASN 13 1HB ASN 13 -4.359 13.810 3.269 114 HD21 ASN 13 1HD2 ASN 13 -6.107 11.015 4.700 115 HD22 ASN 13 2HD2 ASN 13 -6.825 10.529 3.209 116 H ARG 14 HN ARG 14 -3.781 14.082 6.943 117 HA ARG 14 HA ARG 14 -1.565 15.688 6.244 118 HB2 ARG 14 2HB ARG 14 -3.217 16.334 7.991 119 HB3 ARG 14 1HB ARG 14 -2.636 15.036 9.021 120 HG2 ARG 14 2HG ARG 14 -1.659 17.019 9.878 121 HG3 ARG 14 1HG ARG 14 -0.359 16.196 9.020 122 HD2 ARG 14 2HD ARG 14 -1.980 18.524 7.923 123 HD3 ARG 14 1HD ARG 14 -0.382 18.662 8.653 124 HE ARG 14 HE ARG 14 -0.928 17.176 6.142 125 HH11 ARG 14 1HH1 ARG 14 1.103 19.397 7.951 126 HH12 ARG 14 2HH1 ARG 14 2.317 19.463 6.716 127 HH21 ARG 14 1HH2 ARG 14 0.670 17.279 4.538 128 HH22 ARG 14 2HH2 ARG 14 2.076 18.264 4.794 129 H MET 15 HN MET 15 -1.810 12.521 7.716 130 HA MET 15 HA MET 15 1.012 12.335 8.388 131 HB2 MET 15 2HB MET 15 -1.151 10.178 8.398 132 HB3 MET 15 1HB MET 15 0.444 10.063 9.133 133 HG2 MET 15 2HG MET 15 -0.132 11.839 10.719 134 HG3 MET 15 1HG MET 15 -1.730 11.993 9.975 135 HE1 MET 15 3HE MET 15 -3.051 11.658 12.211 136 HE2 MET 15 1HE MET 15 -1.528 11.600 13.091 137 HE3 MET 15 2HE MET 15 -2.738 10.347 13.355 138 H GLN 16 HN GLN 16 -1.202 10.504 6.190 139 HA GLN 16 HA GLN 16 0.850 8.950 5.025 140 HB2 GLN 16 2HB GLN 16 -1.945 9.475 3.953 141 HB3 GLN 16 1HB GLN 16 -0.871 8.178 3.432 142 HG2 GLN 16 2HG GLN 16 -1.010 7.193 5.696 143 HG3 GLN 16 1HG GLN 16 -2.146 8.465 6.164 144 HE21 GLN 16 1HE2 GLN 16 -2.658 5.588 6.049 145 HE22 GLN 16 2HE2 GLN 16 -3.922 5.352 4.898 146 H TYR 17 HN TYR 17 -1.143 11.566 3.660 147 HA TYR 17 HA TYR 17 0.040 11.575 1.091 148 HB2 TYR 17 2HB TYR 17 -2.147 12.685 1.512 149 HB3 TYR 17 1HB TYR 17 -1.331 13.949 2.425 150 HD1 TYR 17 HD1 TYR 17 -1.798 12.524 -0.988 151 HD2 TYR 17 HD2 TYR 17 -0.180 15.783 1.271 152 HE1 TYR 17 HE1 TYR 17 -1.421 13.798 -3.061 153 HE2 TYR 17 HE2 TYR 17 0.193 17.039 -0.800 154 HH TYR 17 HH TYR 17 -1.135 16.117 -3.792 155 H GLU 18 HN GLU 18 0.832 13.502 3.991 156 HA GLU 18 HA GLU 18 2.999 14.992 2.991 157 HB2 GLU 18 2HB GLU 18 1.927 15.385 5.200 158 HB3 GLU 18 1HB GLU 18 2.589 13.868 5.795 159 HG2 GLU 18 2HG GLU 18 4.902 14.841 5.378 160 HG3 GLU 18 1HG GLU 18 4.112 16.381 5.058 161 H VAL 19 HN VAL 19 2.877 11.717 4.297 162 HA VAL 19 HA VAL 19 5.694 11.188 4.397 163 HB VAL 19 HB VAL 19 3.281 9.318 4.360 164 HG11 VAL 19 1HG1 VAL 19 4.775 7.404 4.769 165 HG12 VAL 19 2HG1 VAL 19 6.185 8.440 4.520 166 HG13 VAL 19 3HG1 VAL 19 5.081 8.116 3.182 167 HG21 VAL 19 3HG2 VAL 19 3.968 8.790 6.659 168 HG22 VAL 19 1HG2 VAL 19 3.750 10.535 6.475 169 HG23 VAL 19 2HG2 VAL 19 5.379 9.848 6.501 170 H THR 20 HN THR 20 3.257 10.012 2.082 171 HA THR 20 HA THR 20 5.058 8.908 0.212 172 HB THR 20 HB THR 20 2.138 9.672 -0.264 173 HG1 THR 20 HG1 THR 20 1.658 7.623 0.639 174 HG21 THR 20 3HG2 THR 20 3.319 8.862 -2.296 175 HG22 THR 20 1HG2 THR 20 2.103 7.702 -1.757 176 HG23 THR 20 2HG2 THR 20 3.811 7.404 -1.428 177 H GLN 21 HN GLN 21 4.080 12.161 0.740 178 HA GLN 21 HA GLN 21 4.310 13.332 -1.809 179 HB2 GLN 21 2HB GLN 21 3.447 14.534 0.151 180 HB3 GLN 21 1HB GLN 21 5.027 14.471 0.921 181 HG2 GLN 21 2HG GLN 21 5.945 15.967 -0.796 182 HG3 GLN 21 1HG GLN 21 4.395 15.971 -1.639 183 HE21 GLN 21 1HE2 GLN 21 6.084 17.013 1.257 184 HE22 GLN 21 2HE2 GLN 21 4.961 18.245 1.695 185 H ASN 22 HN ASN 22 6.797 12.421 0.560 186 HA ASN 22 HA ASN 22 8.875 12.648 -1.521 187 HB2 ASN 22 2HB ASN 22 8.840 14.723 0.008 188 HB3 ASN 22 1HB ASN 22 9.337 13.668 1.323 189 HD21 ASN 22 1HD2 ASN 22 11.484 12.880 1.344 190 HD22 ASN 22 2HD2 ASN 22 12.709 13.523 0.315 191 H ASN 23 HN ASN 23 7.298 10.492 -0.278 192 HA ASN 23 HA ASN 23 7.428 8.386 0.503 193 HB2 ASN 23 2HB ASN 23 9.116 6.959 -0.492 194 HB3 ASN 23 1HB ASN 23 8.630 8.167 -1.663 195 HD21 ASN 23 1HD2 ASN 23 10.150 9.808 -2.247 196 HD22 ASN 23 2HD2 ASN 23 11.841 9.606 -1.970 197 H GLY 24 HN GLY 24 8.134 10.260 2.503 198 HA2 GLY 24 2HA GLY 24 10.579 9.622 3.859 199 HA3 GLY 24 1HA GLY 24 9.274 10.644 4.444 200 H THR 25 HN THR 25 10.403 9.225 6.307 201 HA THR 25 HA THR 25 8.865 6.752 6.749 202 HB THR 25 HB THR 25 11.016 8.004 8.525 203 HG1 THR 25 HG1 THR 25 11.163 6.482 6.223 204 HG21 THR 25 3HG2 THR 25 9.537 6.380 9.712 205 HG22 THR 25 1HG2 THR 25 11.178 5.754 9.535 206 HG23 THR 25 2HG2 THR 25 9.892 5.165 8.482 207 H GLU 26 HN GLU 26 7.154 6.709 8.115 208 HA GLU 26 HA GLU 26 6.121 9.064 9.370 209 HB2 GLU 26 2HB GLU 26 4.341 7.527 10.244 210 HB3 GLU 26 1HB GLU 26 4.528 7.431 8.502 211 HG2 GLU 26 2HG GLU 26 5.673 5.404 10.452 212 HG3 GLU 26 1HG GLU 26 4.108 5.238 9.667 213 HA PRO 27 HA PRO 27 8.389 9.151 13.144 214 HB2 PRO 27 2HB PRO 27 6.297 9.590 15.023 215 HB3 PRO 27 1HB PRO 27 7.180 10.826 14.122 216 HG2 PRO 27 2HG PRO 27 4.538 9.550 13.510 217 HG3 PRO 27 1HG PRO 27 5.041 11.239 13.301 218 HD2 PRO 27 2HD PRO 27 4.875 9.613 11.190 219 HD3 PRO 27 1HD PRO 27 6.217 10.772 11.313 220 HA PRO 28 HA PRO 28 8.125 4.946 14.827 221 HB2 PRO 28 2HB PRO 28 10.307 5.089 16.482 222 HB3 PRO 28 1HB PRO 28 10.452 4.872 14.733 223 HG2 PRO 28 2HG PRO 28 10.704 7.405 16.355 224 HG3 PRO 28 1HG PRO 28 11.736 6.825 15.030 225 HD2 PRO 28 2HD PRO 28 9.815 8.704 14.627 226 HD3 PRO 28 1HD PRO 28 10.232 7.507 13.379 227 H PHE 29 HN PHE 29 6.220 5.117 15.960 228 HA PHE 29 HA PHE 29 5.743 6.840 18.172 229 HB2 PHE 29 2HB PHE 29 4.189 4.353 17.337 230 HB3 PHE 29 1HB PHE 29 3.602 5.623 18.408 231 HD1 PHE 29 HD1 PHE 29 3.753 8.094 17.327 232 HD2 PHE 29 HD2 PHE 29 3.481 4.450 15.110 233 HE1 PHE 29 HE1 PHE 29 2.863 9.324 15.398 234 HE2 PHE 29 HE2 PHE 29 2.597 5.691 13.183 235 HZ PHE 29 HZ PHE 29 2.288 8.127 13.324 236 H GLN 30 HN GLN 30 7.144 3.691 17.905 237 HA GLN 30 HA GLN 30 7.752 2.016 19.286 238 HB2 GLN 30 2HB GLN 30 8.090 4.256 21.326 239 HB3 GLN 30 1HB GLN 30 8.885 2.684 21.370 240 HG2 GLN 30 2HG GLN 30 9.333 4.910 19.355 241 HG3 GLN 30 1HG GLN 30 10.463 4.346 20.586 242 HE21 GLN 30 1HE2 GLN 30 11.556 2.372 20.248 243 HE22 GLN 30 2HE2 GLN 30 11.667 1.640 18.688 244 H ASN 31 HN ASN 31 5.123 2.225 18.978 245 HA ASN 31 HA ASN 31 3.734 2.031 21.583 246 HB2 ASN 31 2HB ASN 31 3.036 3.898 20.042 247 HB3 ASN 31 1HB ASN 31 2.650 2.717 18.803 248 HD21 ASN 31 1HD2 ASN 31 1.673 4.138 21.818 249 HD22 ASN 31 2HD2 ASN 31 0.071 3.502 21.829 250 H GLU 32 HN GLU 32 2.051 0.379 21.738 251 HA GLU 32 HA GLU 32 2.899 -2.195 20.918 252 HB2 GLU 32 2HB GLU 32 0.207 -1.329 22.061 253 HB3 GLU 32 1HB GLU 32 0.793 -2.991 21.988 254 HG2 GLU 32 2HG GLU 32 2.632 -2.431 23.515 255 HG3 GLU 32 1HG GLU 32 2.115 -0.747 23.551 256 H TYR 33 HN TYR 33 0.312 -0.078 19.731 257 HA TYR 33 HA TYR 33 -0.760 -1.916 17.780 258 HB2 TYR 33 2HB TYR 33 -1.132 1.108 17.934 259 HB3 TYR 33 1HB TYR 33 -2.173 -0.039 17.095 260 HD1 TYR 33 HD2 TYR 33 -2.742 -2.151 18.985 261 HD2 TYR 33 HD1 TYR 33 -2.291 2.033 19.753 262 HE1 TYR 33 HE2 TYR 33 -4.114 -2.371 21.009 263 HE2 TYR 33 HE1 TYR 33 -3.660 1.807 21.774 264 HH TYR 33 HH TYR 33 -4.432 -1.196 23.159 265 H TRP 34 HN TRP 34 1.658 0.614 17.792 266 HA TRP 34 HA TRP 34 2.182 0.797 14.995 267 HB2 TRP 34 2HB TRP 34 2.903 2.590 16.402 268 HB3 TRP 34 1HB TRP 34 3.702 1.507 17.525 269 HD1 TRP 34 HD1 TRP 34 6.235 1.654 17.403 270 HE1 TRP 34 HE1 TRP 34 7.982 2.345 15.667 271 HE3 TRP 34 HE3 TRP 34 3.133 2.482 13.404 272 HZ2 TRP 34 HZ2 TRP 34 8.066 3.110 12.963 273 HZ3 TRP 34 HZ3 TRP 34 4.143 3.184 11.264 274 HH2 TRP 34 HH2 TRP 34 6.559 3.492 11.053 275 H ASP 35 HN ASP 35 3.230 -1.378 17.555 276 HA ASP 35 HA ASP 35 5.009 -2.876 15.739 277 HB2 ASP 35 2HB ASP 35 5.784 -2.282 18.074 278 HB3 ASP 35 1HB ASP 35 4.497 -3.291 18.720 279 H HIS 36 HN HIS 36 2.353 -2.861 15.017 280 HA HIS 36 HA HIS 36 0.829 -5.086 15.885 281 HB2 HIS 36 2HB HIS 36 -0.469 -4.727 13.770 282 HB3 HIS 36 1HB HIS 36 -0.241 -3.252 14.697 283 HD1 HIS 36 HD1 HIS 36 1.342 -1.415 13.656 284 HD2 HIS 36 HD2 HIS 36 0.655 -4.710 11.201 285 HE1 HIS 36 HE1 HIS 36 2.163 -0.745 11.371 286 HE2 HIS 36 HE2 HIS 36 1.639 -2.714 9.886 287 H LYS 37 HN LYS 37 1.053 -7.233 15.431 288 HA LYS 37 HA LYS 37 2.883 -8.058 13.244 289 HB2 LYS 37 2HB LYS 37 3.659 -8.156 15.860 290 HB3 LYS 37 1HB LYS 37 2.841 -9.708 15.765 291 HG2 LYS 37 2HG LYS 37 5.209 -10.011 15.348 292 HG3 LYS 37 1HG LYS 37 4.309 -10.348 13.869 293 HD2 LYS 37 2HD LYS 37 6.220 -9.086 13.194 294 HD3 LYS 37 1HD LYS 37 4.861 -7.971 13.112 295 HE2 LYS 37 2HE LYS 37 6.871 -8.112 15.390 296 HE3 LYS 37 1HE LYS 37 6.924 -6.952 14.070 297 HZ1 LYS 37 3HZ LYS 37 4.765 -6.097 14.837 298 HZ2 LYS 37 1HZ LYS 37 5.982 -5.949 16.002 299 HZ3 LYS 37 2HZ LYS 37 4.818 -7.162 16.152 300 H GLU 38 HN GLU 38 -0.059 -7.868 13.546 301 HA GLU 38 HA GLU 38 -1.063 -10.590 13.548 302 HB2 GLU 38 2HB GLU 38 -2.413 -7.910 12.981 303 HB3 GLU 38 1HB GLU 38 -3.257 -9.454 12.972 304 HG2 GLU 38 2HG GLU 38 -3.671 -8.307 15.063 305 HG3 GLU 38 1HG GLU 38 -2.742 -9.772 15.361 306 H GLU 39 HN GLU 39 -2.367 -11.364 11.690 307 HA GLU 39 HA GLU 39 -1.020 -10.759 9.120 308 HB2 GLU 39 2HB GLU 39 -1.041 -13.192 8.623 309 HB3 GLU 39 1HB GLU 39 -0.079 -12.822 10.048 310 HG2 GLU 39 2HG GLU 39 -2.056 -13.484 11.458 311 HG3 GLU 39 1HG GLU 39 -2.853 -14.030 9.984 312 H GLY 40 HN GLY 40 -2.283 -11.435 7.226 313 HA2 GLY 40 2HA GLY 40 -4.763 -11.791 6.589 314 HA3 GLY 40 1HA GLY 40 -5.022 -10.380 7.622 315 H LEU 41 HN LEU 41 -5.392 -8.640 6.303 316 HA LEU 41 HA LEU 41 -3.839 -8.371 3.787 317 HB2 LEU 41 2HB LEU 41 -6.509 -7.217 4.675 318 HB3 LEU 41 1HB LEU 41 -5.656 -6.597 3.267 319 HG LEU 41 HG LEU 41 -6.549 -9.490 3.562 320 HD11 LEU 41 1HD1 LEU 41 -8.345 -9.034 2.029 321 HD12 LEU 41 2HD1 LEU 41 -7.881 -7.328 1.914 322 HD13 LEU 41 3HD1 LEU 41 -8.498 -7.981 3.438 323 HD21 LEU 41 3HD2 LEU 41 -6.115 -9.631 1.142 324 HD22 LEU 41 1HD2 LEU 41 -4.657 -9.254 2.057 325 HD23 LEU 41 2HD2 LEU 41 -5.485 -7.980 1.159 326 H TYR 42 HN TYR 42 -3.156 -6.229 3.165 327 HA TYR 42 HA TYR 42 -3.160 -4.157 5.271 328 HB2 TYR 42 2HB TYR 42 -1.041 -3.235 4.473 329 HB3 TYR 42 1HB TYR 42 -0.804 -4.909 4.936 330 HD1 TYR 42 HD1 TYR 42 -0.323 -6.629 3.197 331 HD2 TYR 42 HD2 TYR 42 -0.737 -2.514 2.149 332 HE1 TYR 42 HE1 TYR 42 0.740 -7.065 1.032 333 HE2 TYR 42 HE2 TYR 42 0.324 -2.953 -0.021 334 HH TYR 42 HH TYR 42 1.924 -4.687 -0.956 335 H VAL 43 HN VAL 43 -4.259 -2.426 4.668 336 HA VAL 43 HA VAL 43 -5.058 -2.058 1.835 337 HB VAL 43 HB VAL 43 -7.345 -1.594 2.487 338 HG11 VAL 43 1HG1 VAL 43 -6.743 -4.006 2.219 339 HG12 VAL 43 2HG1 VAL 43 -8.118 -3.759 3.298 340 HG13 VAL 43 3HG1 VAL 43 -6.526 -4.125 3.967 341 HG21 VAL 43 3HG2 VAL 43 -6.965 -0.422 4.621 342 HG22 VAL 43 1HG2 VAL 43 -6.521 -1.943 5.401 343 HG23 VAL 43 2HG2 VAL 43 -8.173 -1.691 4.828 344 H ASP 44 HN ASP 44 -5.587 0.191 1.279 345 HA ASP 44 HA ASP 44 -4.003 2.082 2.816 346 HB2 ASP 44 2HB ASP 44 -4.229 2.039 0.204 347 HB3 ASP 44 1HB ASP 44 -5.743 2.894 0.464 348 H ILE 45 HN ILE 45 -4.785 3.024 4.481 349 HA ILE 45 HA ILE 45 -7.246 2.610 5.638 350 HB ILE 45 HB ILE 45 -5.678 5.144 6.265 351 HG12 ILE 45 2HG1 ILE 45 -4.972 2.344 7.213 352 HG13 ILE 45 1HG1 ILE 45 -4.060 3.272 6.040 353 HG21 ILE 45 1HG2 ILE 45 -7.253 3.267 8.086 354 HG22 ILE 45 2HG2 ILE 45 -7.785 4.852 7.522 355 HG23 ILE 45 3HG2 ILE 45 -6.397 4.732 8.598 356 HD11 ILE 45 3HD1 ILE 45 -3.541 4.923 7.770 357 HD12 ILE 45 1HD1 ILE 45 -2.991 3.300 8.190 358 HD13 ILE 45 2HD1 ILE 45 -4.439 3.958 8.947 359 H VAL 46 HN VAL 46 -6.420 5.150 3.371 360 HA VAL 46 HA VAL 46 -8.417 7.059 3.890 361 HB VAL 46 HB VAL 46 -8.059 7.843 1.526 362 HG11 VAL 46 1HG1 VAL 46 -5.541 7.269 3.109 363 HG12 VAL 46 2HG1 VAL 46 -6.595 8.666 3.329 364 HG13 VAL 46 3HG1 VAL 46 -5.681 8.469 1.831 365 HG21 VAL 46 3HG2 VAL 46 -7.738 5.704 0.404 366 HG22 VAL 46 1HG2 VAL 46 -6.274 5.366 1.335 367 HG23 VAL 46 2HG2 VAL 46 -6.296 6.687 0.158 368 H SER 47 HN SER 47 -8.779 3.986 2.365 369 HA SER 47 HA SER 47 -11.566 4.584 1.609 370 HB2 SER 47 2HB SER 47 -10.196 5.038 -0.411 371 HB3 SER 47 1HB SER 47 -9.506 3.416 -0.319 372 HG SER 47 HG SER 47 -12.190 3.249 -0.319 373 H GLY 48 HN GLY 48 -9.255 2.425 2.913 374 HA2 GLY 48 2HA GLY 48 -9.361 0.275 3.685 375 HA3 GLY 48 1HA GLY 48 -11.107 0.350 3.485 376 H LYS 49 HN LYS 49 -8.661 0.770 0.988 377 HA LYS 49 HA LYS 49 -9.918 -1.333 -0.636 378 HB2 LYS 49 2HB LYS 49 -8.043 0.963 -1.308 379 HB3 LYS 49 1HB LYS 49 -8.315 -0.347 -2.450 380 HG2 LYS 49 2HG LYS 49 -10.443 1.527 -1.356 381 HG3 LYS 49 1HG LYS 49 -9.719 1.581 -2.971 382 HD2 LYS 49 2HD LYS 49 -10.632 -0.700 -3.423 383 HD3 LYS 49 1HD LYS 49 -11.412 -0.685 -1.835 384 HE2 LYS 49 2HE LYS 49 -13.014 -0.122 -3.600 385 HE3 LYS 49 1HE LYS 49 -12.770 1.260 -2.535 386 HZ1 LYS 49 3HZ LYS 49 -11.331 2.256 -4.166 387 HZ2 LYS 49 1HZ LYS 49 -12.809 1.867 -4.894 388 HZ3 LYS 49 2HZ LYS 49 -11.444 0.902 -5.169 389 HA PRO 50 HA PRO 50 -6.565 -4.173 0.596 390 HB2 PRO 50 2HB PRO 50 -7.264 -6.131 -1.284 391 HB3 PRO 50 1HB PRO 50 -7.974 -5.989 0.330 392 HG2 PRO 50 2HG PRO 50 -9.003 -4.913 -2.299 393 HG3 PRO 50 1HG PRO 50 -9.894 -5.773 -1.026 394 HD2 PRO 50 2HD PRO 50 -10.088 -3.127 -1.198 395 HD3 PRO 50 1HD PRO 50 -9.908 -3.882 0.408 396 H LEU 51 HN LEU 51 -4.551 -3.860 -0.051 397 HA LEU 51 HA LEU 51 -3.936 -3.200 -2.869 398 HB2 LEU 51 2HB LEU 51 -2.276 -2.744 -0.354 399 HB3 LEU 51 1HB LEU 51 -1.848 -2.216 -1.981 400 HG LEU 51 HG LEU 51 -4.204 -1.216 -0.326 401 HD11 LEU 51 1HD1 LEU 51 -1.672 0.217 -1.162 402 HD12 LEU 51 2HD1 LEU 51 -2.074 -0.347 0.462 403 HD13 LEU 51 3HD1 LEU 51 -3.033 0.930 -0.283 404 HD21 LEU 51 3HD2 LEU 51 -3.385 -0.378 -3.134 405 HD22 LEU 51 1HD2 LEU 51 -4.655 0.369 -2.159 406 HD23 LEU 51 2HD2 LEU 51 -4.830 -1.298 -2.705 407 H PHE 52 HN PHE 52 -3.035 -5.288 -0.164 408 HA PHE 52 HA PHE 52 -3.185 -7.579 -1.676 409 HB2 PHE 52 2HB PHE 52 -0.838 -6.697 -2.564 410 HB3 PHE 52 1HB PHE 52 -0.217 -7.308 -1.038 411 HD1 PHE 52 HD1 PHE 52 -2.366 -8.423 -3.904 412 HD2 PHE 52 HD2 PHE 52 0.565 -9.563 -1.023 413 HE1 PHE 52 HE1 PHE 52 -2.285 -10.664 -4.876 414 HE2 PHE 52 HE2 PHE 52 0.639 -11.813 -2.018 415 HZ PHE 52 HZ PHE 52 -0.787 -12.370 -3.936 416 H THR 53 HN THR 53 -2.000 -9.506 -0.332 417 HA THR 53 HA THR 53 -2.736 -9.159 2.467 418 HB THR 53 HB THR 53 -3.505 -11.206 1.394 419 HG1 THR 53 HG1 THR 53 -3.082 -11.608 3.490 420 HG21 THR 53 3HG2 THR 53 -1.783 -11.479 -0.345 421 HG22 THR 53 1HG2 THR 53 -1.959 -12.957 0.608 422 HG23 THR 53 2HG2 THR 53 -0.587 -11.881 0.892 423 H SER 54 HN SER 54 -1.346 -9.338 4.140 424 HA SER 54 HA SER 54 1.382 -8.755 4.062 425 HB2 SER 54 2HB SER 54 -0.158 -8.406 6.036 426 HB3 SER 54 1HB SER 54 -0.116 -10.145 6.326 427 HG SER 54 HG SER 54 2.106 -9.976 6.720 428 H LYS 55 HN LYS 55 -0.160 -11.725 3.405 429 HA LYS 55 HA LYS 55 1.816 -13.596 4.229 430 HB2 LYS 55 2HB LYS 55 -0.486 -13.709 2.271 431 HB3 LYS 55 1HB LYS 55 0.665 -15.035 2.320 432 HG2 LYS 55 2HG LYS 55 -1.392 -15.430 3.666 433 HG3 LYS 55 1HG LYS 55 0.106 -15.572 4.582 434 HD2 LYS 55 2HD LYS 55 -0.267 -13.363 5.591 435 HD3 LYS 55 1HD LYS 55 -1.719 -13.133 4.611 436 HE2 LYS 55 2HE LYS 55 -2.164 -13.829 6.993 437 HE3 LYS 55 1HE LYS 55 -2.879 -14.885 5.779 438 HZ1 LYS 55 3HZ LYS 55 -0.355 -15.439 7.250 439 HZ2 LYS 55 1HZ LYS 55 -1.083 -16.457 6.111 440 HZ3 LYS 55 2HZ LYS 55 -1.859 -16.130 7.581 441 H ASP 56 HN ASP 56 1.895 -11.304 1.652 442 HA ASP 56 HA ASP 56 4.144 -12.703 0.307 443 HB2 ASP 56 2HB ASP 56 2.206 -11.862 -1.096 444 HB3 ASP 56 1HB ASP 56 2.641 -10.220 -0.643 445 H LYS 57 HN LYS 57 3.961 -11.038 2.963 446 HA LYS 57 HA LYS 57 5.712 -8.806 2.503 447 HB2 LYS 57 2HB LYS 57 4.165 -8.798 4.443 448 HB3 LYS 57 1HB LYS 57 5.014 -10.173 5.145 449 HG2 LYS 57 2HG LYS 57 5.709 -8.106 6.248 450 HG3 LYS 57 1HG LYS 57 7.064 -8.802 5.350 451 HD2 LYS 57 2HD LYS 57 6.541 -7.193 3.461 452 HD3 LYS 57 1HD LYS 57 5.335 -6.437 4.510 453 HE2 LYS 57 2HE LYS 57 8.317 -6.612 5.023 454 HE3 LYS 57 1HE LYS 57 7.428 -5.170 4.535 455 HZ1 LYS 57 3HZ LYS 57 7.890 -5.161 6.888 456 HZ2 LYS 57 1HZ LYS 57 7.099 -6.640 7.094 457 HZ3 LYS 57 2HZ LYS 57 6.222 -5.267 6.640 458 H PHE 58 HN PHE 58 7.702 -9.172 1.809 459 HA PHE 58 HA PHE 58 9.423 -11.132 3.205 460 HB2 PHE 58 2HB PHE 58 9.882 -9.601 0.598 461 HB3 PHE 58 1HB PHE 58 11.005 -10.755 1.312 462 HD1 PHE 58 HD1 PHE 58 10.239 -13.190 1.603 463 HD2 PHE 58 HD2 PHE 58 8.103 -10.382 -0.819 464 HE1 PHE 58 HE1 PHE 58 9.084 -15.036 0.469 465 HE2 PHE 58 HE2 PHE 58 6.954 -12.243 -1.943 466 HZ PHE 58 HZ PHE 58 7.441 -14.567 -1.302 467 H ASP 59 HN ASP 59 11.698 -10.249 3.581 468 HA ASP 59 HA ASP 59 11.415 -8.418 5.651 469 HB2 ASP 59 2HB ASP 59 13.822 -8.595 5.968 470 HB3 ASP 59 1HB ASP 59 13.176 -10.168 5.541 471 H SER 60 HN SER 60 11.312 -6.281 5.738 472 HA SER 60 HA SER 60 12.159 -4.647 3.436 473 HB2 SER 60 2HB SER 60 10.619 -2.909 4.448 474 HB3 SER 60 1HB SER 60 9.803 -4.388 3.947 475 HG SER 60 HG SER 60 10.583 -3.735 6.602 476 H GLN 61 HN GLN 61 14.371 -4.981 4.232 477 HA GLN 61 HA GLN 61 15.244 -3.817 6.707 478 HB2 GLN 61 2HB GLN 61 17.526 -4.288 5.896 479 HB3 GLN 61 1HB GLN 61 16.464 -5.682 5.738 480 HG2 GLN 61 2HG GLN 61 16.209 -5.185 3.318 481 HG3 GLN 61 1HG GLN 61 17.330 -3.835 3.502 482 HE21 GLN 61 1HE2 GLN 61 17.003 -7.299 3.516 483 HE22 GLN 61 2HE2 GLN 61 18.676 -7.668 3.336 484 H CYS 62 HN CYS 62 14.458 -2.460 3.679 485 HA CYS 62 HA CYS 62 15.932 0.003 3.949 486 HB2 CYS 62 2HB CYS 62 13.419 -0.642 2.351 487 HB3 CYS 62 1HB CYS 62 14.400 0.813 2.170 488 HG CYS 62 HG CYS 62 16.307 -0.186 0.715 489 H GLY 63 HN GLY 63 13.259 -1.330 5.585 490 HA2 GLY 63 2HA GLY 63 12.328 -0.334 7.541 491 HA3 GLY 63 1HA GLY 63 12.554 1.260 6.833 492 H TRP 64 HN TRP 64 11.434 1.119 4.426 493 HA TRP 64 HA TRP 64 8.620 1.111 4.935 494 HB2 TRP 64 2HB TRP 64 10.127 1.478 2.307 495 HB3 TRP 64 1HB TRP 64 8.422 1.839 2.566 496 HD1 TRP 64 HD1 TRP 64 7.904 3.921 4.337 497 HE1 TRP 64 HE1 TRP 64 9.247 6.056 4.760 498 HE3 TRP 64 HE3 TRP 64 12.394 2.472 2.352 499 HZ2 TRP 64 HZ2 TRP 64 11.868 7.025 4.331 500 HZ3 TRP 64 HZ3 TRP 64 14.278 4.066 2.395 501 HH2 TRP 64 HH2 TRP 64 14.014 6.299 3.365 502 HA PRO 65 HA PRO 65 7.688 -3.311 4.288 503 HB2 PRO 65 2HB PRO 65 5.183 -1.916 3.278 504 HB3 PRO 65 1HB PRO 65 5.322 -3.389 4.256 505 HG2 PRO 65 2HG PRO 65 4.782 -1.066 5.442 506 HG3 PRO 65 1HG PRO 65 5.917 -2.203 6.199 507 HD2 PRO 65 2HD PRO 65 6.474 0.383 4.809 508 HD3 PRO 65 1HD PRO 65 7.385 -0.423 6.108 509 H SER 66 HN SER 66 8.537 -4.416 2.631 510 HA SER 66 HA SER 66 8.198 -3.494 -0.163 511 HB2 SER 66 2HB SER 66 10.410 -5.238 1.025 512 HB3 SER 66 1HB SER 66 10.332 -4.639 -0.636 513 HG SER 66 HG SER 66 10.106 -2.663 1.271 514 H PHE 67 HN PHE 67 7.302 -4.849 -1.637 515 HA PHE 67 HA PHE 67 6.667 -7.650 -0.950 516 HB2 PHE 67 2HB PHE 67 4.637 -5.684 -2.123 517 HB3 PHE 67 1HB PHE 67 4.342 -7.375 -1.724 518 HD1 PHE 67 HD2 PHE 67 4.104 -8.072 0.639 519 HD2 PHE 67 HD1 PHE 67 4.644 -3.958 -0.406 520 HE1 PHE 67 HE2 PHE 67 3.384 -7.397 2.889 521 HE2 PHE 67 HE1 PHE 67 3.922 -3.294 1.843 522 HZ PHE 67 HZ PHE 67 3.296 -5.008 3.497 523 H THR 68 HN THR 68 6.280 -8.961 -2.794 524 HA THR 68 HA THR 68 7.448 -7.935 -5.325 525 HB THR 68 HB THR 68 7.721 -10.440 -5.827 526 HG1 THR 68 HG1 THR 68 6.330 -10.626 -3.543 527 HG21 THR 68 3HG2 THR 68 9.252 -9.354 -3.433 528 HG22 THR 68 1HG2 THR 68 9.641 -9.042 -5.129 529 HG23 THR 68 2HG2 THR 68 9.768 -10.678 -4.479 530 H LYS 69 HN LYS 69 4.445 -8.546 -4.005 531 HA LYS 69 HA LYS 69 3.190 -8.697 -6.654 532 HB2 LYS 69 2HB LYS 69 3.454 -11.065 -5.802 533 HB3 LYS 69 1HB LYS 69 2.456 -10.642 -4.417 534 HG2 LYS 69 2HG LYS 69 1.157 -11.848 -6.088 535 HG3 LYS 69 1HG LYS 69 0.546 -10.201 -5.914 536 HD2 LYS 69 2HD LYS 69 1.625 -9.523 -7.991 537 HD3 LYS 69 1HD LYS 69 2.441 -11.084 -8.128 538 HE2 LYS 69 2HE LYS 69 -0.570 -10.673 -8.245 539 HE3 LYS 69 1HE LYS 69 0.477 -10.907 -9.647 540 HZ1 LYS 69 3HZ LYS 69 1.084 -13.089 -8.760 541 HZ2 LYS 69 1HZ LYS 69 -0.581 -12.968 -9.021 542 HZ3 LYS 69 2HZ LYS 69 0.036 -12.861 -7.454 543 HA PRO 70 HA PRO 70 0.232 -6.118 -4.251 544 HB2 PRO 70 2HB PRO 70 -0.205 -4.218 -6.074 545 HB3 PRO 70 1HB PRO 70 1.349 -4.278 -5.226 546 HG2 PRO 70 2HG PRO 70 0.686 -5.164 -8.020 547 HG3 PRO 70 1HG PRO 70 2.154 -4.368 -7.416 548 HD2 PRO 70 2HD PRO 70 1.793 -7.171 -7.820 549 HD3 PRO 70 1HD PRO 70 3.145 -6.397 -6.966 550 H ILE 71 HN ILE 71 -2.017 -5.289 -5.074 551 HA ILE 71 HA ILE 71 -3.368 -7.313 -6.751 552 HB ILE 71 HB ILE 71 -4.580 -5.165 -4.928 553 HG12 ILE 71 2HG1 ILE 71 -4.642 -8.217 -4.717 554 HG13 ILE 71 1HG1 ILE 71 -3.652 -7.151 -3.729 555 HG21 ILE 71 1HG2 ILE 71 -6.800 -6.120 -5.514 556 HG22 ILE 71 2HG2 ILE 71 -6.029 -7.185 -6.688 557 HG23 ILE 71 3HG2 ILE 71 -5.993 -5.438 -6.931 558 HD11 ILE 71 3HD1 ILE 71 -5.578 -7.931 -2.502 559 HD12 ILE 71 1HD1 ILE 71 -6.666 -7.277 -3.727 560 HD13 ILE 71 2HD1 ILE 71 -5.680 -6.188 -2.745 561 H GLU 72 HN GLU 72 -3.515 -6.810 -8.804 562 HA GLU 72 HA GLU 72 -2.373 -4.372 -9.820 563 HB2 GLU 72 2HB GLU 72 -2.018 -6.685 -10.780 564 HB3 GLU 72 1HB GLU 72 -3.685 -6.672 -11.338 565 HG2 GLU 72 2HG GLU 72 -3.112 -4.647 -12.727 566 HG3 GLU 72 1HG GLU 72 -1.428 -4.869 -12.256 567 H GLU 73 HN GLU 73 -5.519 -5.321 -8.992 568 HA GLU 73 HA GLU 73 -7.020 -3.972 -11.045 569 HB2 GLU 73 2HB GLU 73 -7.944 -5.119 -8.382 570 HB3 GLU 73 1HB GLU 73 -9.005 -4.542 -9.667 571 HG2 GLU 73 2HG GLU 73 -7.984 -6.278 -11.181 572 HG3 GLU 73 1HG GLU 73 -7.138 -6.925 -9.776 573 H GLU 74 HN GLU 74 -6.095 -3.183 -7.664 574 HA GLU 74 HA GLU 74 -7.418 -0.554 -7.935 575 HB2 GLU 74 2HB GLU 74 -7.799 -2.030 -5.891 576 HB3 GLU 74 1HB GLU 74 -6.132 -1.708 -5.428 577 HG2 GLU 74 2HG GLU 74 -7.687 -0.252 -4.215 578 HG3 GLU 74 1HG GLU 74 -6.626 0.694 -5.258 579 H VAL 75 HN VAL 75 -4.291 -2.061 -7.912 580 HA VAL 75 HA VAL 75 -2.846 0.438 -7.340 581 HB VAL 75 HB VAL 75 -1.948 -2.478 -7.462 582 HG11 VAL 75 1HG1 VAL 75 0.290 -1.702 -6.782 583 HG12 VAL 75 2HG1 VAL 75 -0.252 -0.028 -6.903 584 HG13 VAL 75 3HG1 VAL 75 -0.163 -1.031 -8.355 585 HG21 VAL 75 3HG2 VAL 75 -3.190 -1.904 -5.419 586 HG22 VAL 75 1HG2 VAL 75 -2.119 -0.528 -5.139 587 HG23 VAL 75 2HG2 VAL 75 -1.485 -2.174 -5.039 588 H GLU 76 HN GLU 76 -2.086 1.549 -9.053 589 HA GLU 76 HA GLU 76 -1.913 0.188 -11.696 590 HB2 GLU 76 2HB GLU 76 -3.760 1.815 -11.637 591 HB3 GLU 76 1HB GLU 76 -2.662 3.085 -11.122 592 HG2 GLU 76 2HG GLU 76 -3.230 3.279 -13.501 593 HG3 GLU 76 1HG GLU 76 -1.503 3.014 -13.270 594 H GLU 77 HN GLU 77 -0.084 0.275 -12.753 595 HA GLU 77 HA GLU 77 2.315 1.406 -11.568 596 HB2 GLU 77 2HB GLU 77 2.269 -0.916 -12.400 597 HB3 GLU 77 1HB GLU 77 1.787 -0.376 -13.996 598 HG2 GLU 77 2HG GLU 77 4.397 0.616 -12.905 599 HG3 GLU 77 1HG GLU 77 4.302 -1.068 -13.398 600 H LYS 78 HN LYS 78 2.954 3.474 -12.105 601 HA LYS 78 HA LYS 78 2.310 4.576 -14.785 602 HB2 LYS 78 2HB LYS 78 1.827 6.000 -12.126 603 HB3 LYS 78 1HB LYS 78 1.656 6.735 -13.718 604 HG2 LYS 78 2HG LYS 78 -0.182 5.137 -14.235 605 HG3 LYS 78 1HG LYS 78 -0.016 4.451 -12.618 606 HD2 LYS 78 2HD LYS 78 -1.878 5.950 -12.548 607 HD3 LYS 78 1HD LYS 78 -0.564 6.734 -11.679 608 HE2 LYS 78 2HE LYS 78 -1.298 7.353 -14.564 609 HE3 LYS 78 1HE LYS 78 -1.901 8.255 -13.181 610 HZ1 LYS 78 3HZ LYS 78 0.482 8.739 -12.642 611 HZ2 LYS 78 1HZ LYS 78 -0.095 9.446 -14.061 612 HZ3 LYS 78 2HZ LYS 78 0.892 8.079 -14.145 613 H LEU 79 HN LEU 79 4.217 5.129 -15.680 614 HA LEU 79 HA LEU 79 6.654 5.420 -14.231 615 HB2 LEU 79 2HB LEU 79 6.467 4.482 -16.548 616 HB3 LEU 79 1HB LEU 79 6.038 6.077 -17.138 617 HG LEU 79 HG LEU 79 8.296 6.918 -16.411 618 HD11 LEU 79 1HD1 LEU 79 8.763 5.288 -14.647 619 HD12 LEU 79 2HD1 LEU 79 10.062 5.330 -15.832 620 HD13 LEU 79 3HD1 LEU 79 8.897 4.003 -15.850 621 HD21 LEU 79 3HD2 LEU 79 8.386 4.589 -18.349 622 HD22 LEU 79 1HD2 LEU 79 9.578 5.886 -18.222 623 HD23 LEU 79 2HD2 LEU 79 7.932 6.249 -18.741 624 H ASP 80 HN ASP 80 7.593 7.237 -13.488 625 HA ASP 80 HA ASP 80 6.417 9.893 -14.030 626 HB2 ASP 80 2HB ASP 80 5.857 9.079 -11.740 627 HB3 ASP 80 1HB ASP 80 7.568 8.855 -11.396 628 H THR 81 HN THR 81 7.824 11.613 -14.171 629 HA THR 81 HA THR 81 10.729 11.244 -13.886 630 HB THR 81 HB THR 81 10.992 12.731 -15.987 631 HG1 THR 81 HG1 THR 81 8.327 11.820 -16.478 632 HG21 THR 81 3HG2 THR 81 10.840 10.871 -17.586 633 HG22 THR 81 1HG2 THR 81 9.850 9.948 -16.452 634 HG23 THR 81 2HG2 THR 81 11.535 10.308 -16.065 635 H SER 82 HN SER 82 7.962 13.015 -13.100 636 HA SER 82 HA SER 82 8.901 15.704 -13.302 637 HB2 SER 82 2HB SER 82 6.894 16.317 -12.023 638 HB3 SER 82 1HB SER 82 6.481 15.120 -13.252 639 HG SER 82 HG SER 82 6.842 13.551 -11.432 640 H HIS 83 HN HIS 83 9.183 13.244 -10.826 641 HA HIS 83 HA HIS 83 9.869 15.128 -8.695 642 HB2 HIS 83 2HB HIS 83 9.577 12.092 -8.747 643 HB3 HIS 83 1HB HIS 83 10.005 13.004 -7.300 644 HD1 HIS 83 HD1 HIS 83 7.124 11.780 -9.123 645 HD2 HIS 83 HD2 HIS 83 7.899 14.966 -6.572 646 HE1 HIS 83 HE1 HIS 83 4.875 12.637 -8.429 647 HE2 HIS 83 HE2 HIS 83 5.363 14.528 -6.841 648 H GLY 84 HN GLY 84 11.657 14.941 -11.032 649 HA2 GLY 84 2HA GLY 84 13.893 15.353 -11.326 650 HA3 GLY 84 1HA GLY 84 14.130 15.123 -9.603 651 H MET 85 HN MET 85 12.624 12.414 -10.856 652 HA MET 85 HA MET 85 15.140 10.932 -11.303 653 HB2 MET 85 2HB MET 85 12.881 10.093 -9.411 654 HB3 MET 85 1HB MET 85 14.263 9.095 -9.845 655 HG2 MET 85 2HG MET 85 14.521 11.737 -8.411 656 HG3 MET 85 1HG MET 85 14.374 10.185 -7.589 657 HE1 MET 85 3HE MET 85 16.241 8.319 -7.550 658 HE2 MET 85 1HE MET 85 17.704 8.373 -8.543 659 HE3 MET 85 2HE MET 85 16.129 8.169 -9.305 660 H ILE 86 HN ILE 86 14.937 9.527 -13.044 661 HA ILE 86 HA ILE 86 12.395 8.799 -14.159 662 HB ILE 86 HB ILE 86 14.333 8.745 -15.637 663 HG12 ILE 86 2HG1 ILE 86 14.079 6.480 -16.662 664 HG13 ILE 86 1HG1 ILE 86 13.301 5.899 -15.191 665 HG21 ILE 86 1HG2 ILE 86 16.193 7.149 -15.425 666 HG22 ILE 86 2HG2 ILE 86 15.529 6.575 -13.895 667 HG23 ILE 86 3HG2 ILE 86 16.108 8.235 -14.033 668 HD11 ILE 86 3HD1 ILE 86 11.685 6.376 -16.937 669 HD12 ILE 86 1HD1 ILE 86 12.247 8.048 -17.023 670 HD13 ILE 86 2HD1 ILE 86 11.456 7.455 -15.558 671 H ARG 87 HN ARG 87 11.013 7.499 -13.173 672 HA ARG 87 HA ARG 87 11.741 5.293 -11.442 673 HB2 ARG 87 2HB ARG 87 10.985 6.247 -9.350 674 HB3 ARG 87 1HB ARG 87 12.103 7.422 -10.028 675 HG2 ARG 87 2HG ARG 87 10.022 8.661 -10.920 676 HG3 ARG 87 1HG ARG 87 9.074 7.584 -9.896 677 HD2 ARG 87 2HD ARG 87 11.041 9.733 -9.066 678 HD3 ARG 87 1HD ARG 87 9.340 9.564 -8.624 679 HE ARG 87 HE ARG 87 11.457 7.721 -7.650 680 HH11 ARG 87 1HH1 ARG 87 8.545 9.608 -6.963 681 HH12 ARG 87 2HH1 ARG 87 8.606 9.268 -5.265 682 HH21 ARG 87 1HH2 ARG 87 11.499 7.291 -5.441 683 HH22 ARG 87 2HH2 ARG 87 10.277 7.940 -4.400 684 H THR 88 HN THR 88 9.668 4.333 -10.533 685 HA THR 88 HA THR 88 7.283 5.137 -12.115 686 HB THR 88 HB THR 88 7.871 2.322 -11.096 687 HG1 THR 88 HG1 THR 88 9.364 2.819 -12.715 688 HG21 THR 88 3HG2 THR 88 5.799 3.343 -13.081 689 HG22 THR 88 1HG2 THR 88 5.462 2.815 -11.429 690 HG23 THR 88 2HG2 THR 88 6.048 1.658 -12.624 691 H GLU 89 HN GLU 89 5.377 5.385 -10.975 692 HA GLU 89 HA GLU 89 5.444 5.005 -8.029 693 HB2 GLU 89 2HB GLU 89 3.976 7.259 -9.477 694 HB3 GLU 89 1HB GLU 89 4.213 7.071 -7.738 695 HG2 GLU 89 2HG GLU 89 6.703 7.300 -8.176 696 HG3 GLU 89 1HG GLU 89 6.295 7.757 -9.828 697 H VAL 90 HN VAL 90 3.670 4.003 -7.132 698 HA VAL 90 HA VAL 90 1.625 3.019 -9.003 699 HB VAL 90 HB VAL 90 0.864 1.562 -7.050 700 HG11 VAL 90 1HG1 VAL 90 3.679 1.157 -8.113 701 HG12 VAL 90 2HG1 VAL 90 2.175 0.661 -8.895 702 HG13 VAL 90 3HG1 VAL 90 2.666 -0.094 -7.379 703 HG21 VAL 90 3HG2 VAL 90 2.470 1.138 -5.210 704 HG22 VAL 90 1HG2 VAL 90 1.903 2.813 -5.186 705 HG23 VAL 90 2HG2 VAL 90 3.508 2.434 -5.812 706 H ARG 91 HN ARG 91 -0.321 3.833 -9.048 707 HA ARG 91 HA ARG 91 -1.272 5.596 -6.899 708 HB2 ARG 91 2HB ARG 91 -1.356 6.230 -9.886 709 HB3 ARG 91 1HB ARG 91 -2.113 7.192 -8.617 710 HG2 ARG 91 2HG ARG 91 0.129 7.639 -7.639 711 HG3 ARG 91 1HG ARG 91 0.868 6.714 -8.947 712 HD2 ARG 91 2HD ARG 91 1.082 9.050 -9.461 713 HD3 ARG 91 1HD ARG 91 -0.101 8.361 -10.572 714 HE ARG 91 HE ARG 91 -1.790 9.300 -8.820 715 HH11 ARG 91 1HH1 ARG 91 1.210 10.885 -9.780 716 HH12 ARG 91 2HH1 ARG 91 0.584 12.477 -9.507 717 HH21 ARG 91 1HH2 ARG 91 -2.578 11.402 -8.497 718 HH22 ARG 91 2HH2 ARG 91 -1.545 12.776 -8.777 719 H SER 92 HN SER 92 -3.382 5.446 -6.518 720 HA SER 92 HA SER 92 -4.766 3.065 -7.627 721 HB2 SER 92 2HB SER 92 -4.466 3.023 -5.236 722 HB3 SER 92 1HB SER 92 -5.132 4.638 -5.055 723 HG SER 92 HG SER 92 -6.549 2.362 -5.974 724 H ARG 93 HN ARG 93 -7.220 3.255 -7.759 725 HA ARG 93 HA ARG 93 -7.986 5.590 -9.246 726 HB2 ARG 93 2HB ARG 93 -9.940 3.532 -8.139 727 HB3 ARG 93 1HB ARG 93 -10.159 4.595 -9.523 728 HG2 ARG 93 2HG ARG 93 -8.614 2.020 -9.315 729 HG3 ARG 93 1HG ARG 93 -9.781 2.526 -10.534 730 HD2 ARG 93 2HD ARG 93 -6.891 3.418 -10.263 731 HD3 ARG 93 1HD ARG 93 -7.577 2.407 -11.533 732 HE ARG 93 HE ARG 93 -8.909 4.864 -11.616 733 HH11 ARG 93 1HH1 ARG 93 -5.650 3.651 -12.161 734 HH12 ARG 93 2HH1 ARG 93 -5.234 4.915 -13.269 735 HH21 ARG 93 1HH2 ARG 93 -8.330 6.526 -13.081 736 HH22 ARG 93 2HH2 ARG 93 -6.750 6.535 -13.791 737 H THR 94 HN THR 94 -9.167 4.260 -6.120 738 HA THR 94 HA THR 94 -10.298 6.812 -5.319 739 HB THR 94 HB THR 94 -10.027 4.347 -3.543 740 HG1 THR 94 HG1 THR 94 -11.487 4.614 -5.849 741 HG21 THR 94 3HG2 THR 94 -12.103 5.214 -2.520 742 HG22 THR 94 1HG2 THR 94 -12.100 6.576 -3.642 743 HG23 THR 94 2HG2 THR 94 -10.818 6.419 -2.439 744 H ALA 95 HN ALA 95 -7.680 4.682 -4.199 745 HA ALA 95 HA ALA 95 -6.893 6.382 -1.986 746 HB1 ALA 95 3HB ALA 95 -6.981 3.929 -1.768 747 HB2 ALA 95 1HB ALA 95 -5.369 4.548 -1.420 748 HB3 ALA 95 2HB ALA 95 -5.697 3.769 -2.969 749 H ASP 96 HN ASP 96 -6.439 7.464 -4.714 750 HA ASP 96 HA ASP 96 -4.465 6.609 -6.242 751 HB2 ASP 96 2HB ASP 96 -6.053 8.274 -6.918 752 HB3 ASP 96 1HB ASP 96 -5.389 9.455 -5.796 753 H SER 97 HN SER 97 -3.747 9.395 -4.105 754 HA SER 97 HA SER 97 -0.950 9.330 -4.967 755 HB2 SER 97 2HB SER 97 -2.376 11.368 -3.204 756 HB3 SER 97 1HB SER 97 -0.793 11.562 -3.961 757 HG SER 97 HG SER 97 -2.340 10.974 -5.945 758 H HIS 98 HN HIS 98 -2.677 8.014 -2.412 759 HA HIS 98 HA HIS 98 -0.754 8.549 -0.286 760 HB2 HIS 98 2HB HIS 98 -3.106 6.637 -0.099 761 HB3 HIS 98 1HB HIS 98 -2.286 7.491 1.207 762 HD1 HIS 98 HD1 HIS 98 -5.063 7.723 -1.121 763 HD2 HIS 98 HD2 HIS 98 -2.886 10.371 1.220 764 HE1 HIS 98 HE1 HIS 98 -6.399 9.842 -1.104 765 HE2 HIS 98 HE2 HIS 98 -5.149 11.369 0.455 766 H LEU 99 HN LEU 99 -1.207 6.000 -2.646 767 HA LEU 99 HA LEU 99 -0.527 3.698 -1.239 768 HB2 LEU 99 2HB LEU 99 0.221 4.286 -4.130 769 HB3 LEU 99 1HB LEU 99 0.236 2.695 -3.392 770 HG LEU 99 HG LEU 99 -2.180 4.384 -4.136 771 HD11 LEU 99 1HD1 LEU 99 -1.272 1.616 -5.008 772 HD12 LEU 99 2HD1 LEU 99 -1.150 3.099 -5.959 773 HD13 LEU 99 3HD1 LEU 99 -2.732 2.447 -5.548 774 HD21 LEU 99 3HD2 LEU 99 -3.595 2.577 -3.242 775 HD22 LEU 99 1HD2 LEU 99 -2.688 3.394 -1.972 776 HD23 LEU 99 2HD2 LEU 99 -2.170 1.806 -2.543 777 H GLY 100 HN GLY 100 1.857 5.037 -3.567 778 HA2 GLY 100 2HA GLY 100 4.076 5.483 -2.046 779 HA3 GLY 100 1HA GLY 100 3.992 3.722 -2.134 780 H HIS 101 HN HIS 101 5.992 3.766 -3.281 781 HA HIS 101 HA HIS 101 5.808 4.513 -6.121 782 HB2 HIS 101 2HB HIS 101 8.263 5.244 -4.458 783 HB3 HIS 101 1HB HIS 101 7.887 5.744 -6.109 784 HD1 HIS 101 HD1 HIS 101 5.927 7.534 -6.338 785 HD2 HIS 101 HD2 HIS 101 7.274 6.893 -2.481 786 HE1 HIS 101 HE1 HIS 101 4.935 9.383 -4.981 787 HE2 HIS 101 HE2 HIS 101 5.927 9.080 -2.691 788 H VAL 102 HN VAL 102 7.469 3.399 -7.382 789 HA VAL 102 HA VAL 102 8.493 0.953 -6.138 790 HB VAL 102 HB VAL 102 7.633 -0.493 -7.926 791 HG11 VAL 102 1HG1 VAL 102 5.361 1.077 -6.654 792 HG12 VAL 102 2HG1 VAL 102 6.251 -0.241 -5.887 793 HG13 VAL 102 3HG1 VAL 102 5.261 -0.563 -7.309 794 HG21 VAL 102 3HG2 VAL 102 6.157 1.952 -8.952 795 HG22 VAL 102 1HG2 VAL 102 5.924 0.296 -9.533 796 HG23 VAL 102 2HG2 VAL 102 7.479 1.100 -9.757 797 H PHE 103 HN PHE 103 10.381 0.296 -6.967 798 HA PHE 103 HA PHE 103 11.761 2.238 -8.693 799 HB2 PHE 103 2HB PHE 103 12.942 0.087 -6.878 800 HB3 PHE 103 1HB PHE 103 13.840 1.345 -7.723 801 HD1 PHE 103 HD1 PHE 103 13.523 3.765 -7.046 802 HD2 PHE 103 HD2 PHE 103 11.921 0.529 -4.746 803 HE1 PHE 103 HE1 PHE 103 13.271 5.256 -5.108 804 HE2 PHE 103 HE2 PHE 103 11.675 2.031 -2.815 805 HZ PHE 103 HZ PHE 103 12.349 4.392 -2.995 806 H ASN 104 HN ASN 104 13.057 1.569 -10.414 807 HA ASN 104 HA ASN 104 12.316 -0.922 -11.747 808 HB2 ASN 104 2HB ASN 104 14.185 1.321 -12.667 809 HB3 ASN 104 1HB ASN 104 13.584 0.004 -13.666 810 HD21 ASN 104 1HD2 ASN 104 12.517 1.261 -15.163 811 HD22 ASN 104 2HD2 ASN 104 11.141 2.239 -14.803 812 H ASP 105 HN ASP 105 14.117 -0.614 -9.274 813 HA ASP 105 HA ASP 105 16.654 -1.844 -10.146 814 HB2 ASP 105 2HB ASP 105 16.032 -0.329 -7.559 815 HB3 ASP 105 1HB ASP 105 17.618 -0.881 -8.099 816 H GLY 106 HN GLY 106 14.020 -3.193 -9.573 817 HA2 GLY 106 2HA GLY 106 15.046 -5.322 -7.878 818 HA3 GLY 106 1HA GLY 106 13.674 -4.453 -7.194 819 HA PRO 107 HA PRO 107 12.275 -7.542 -10.572 820 HB2 PRO 107 2HB PRO 107 12.298 -10.008 -9.484 821 HB3 PRO 107 1HB PRO 107 13.773 -9.282 -10.137 822 HG2 PRO 107 2HG PRO 107 12.888 -9.526 -7.265 823 HG3 PRO 107 1HG PRO 107 14.506 -9.757 -7.958 824 HD2 PRO 107 2HD PRO 107 13.631 -7.409 -6.708 825 HD3 PRO 107 1HD PRO 107 15.000 -7.507 -7.836 826 H GLY 108 HN GLY 108 10.124 -7.940 -10.879 827 HA2 GLY 108 2HA GLY 108 8.282 -8.839 -8.889 828 HA3 GLY 108 1HA GLY 108 8.143 -7.098 -9.134 829 HA PRO 109 HA PRO 109 5.005 -9.182 -12.023 830 HB2 PRO 109 2HB PRO 109 4.075 -6.315 -11.714 831 HB3 PRO 109 1HB PRO 109 3.114 -7.800 -11.805 832 HG2 PRO 109 2HG PRO 109 3.533 -6.641 -9.456 833 HG3 PRO 109 1HG PRO 109 3.612 -8.412 -9.593 834 HD2 PRO 109 2HD PRO 109 5.847 -6.422 -9.326 835 HD3 PRO 109 1HD PRO 109 5.721 -8.073 -8.685 836 H ASN 110 HN ASN 110 6.213 -5.839 -12.361 837 HA ASN 110 HA ASN 110 6.463 -6.142 -15.297 838 HB2 ASN 110 2HB ASN 110 5.144 -4.210 -14.505 839 HB3 ASN 110 1HB ASN 110 6.482 -3.671 -13.503 840 HD21 ASN 110 1HD2 ASN 110 6.558 -1.676 -14.492 841 HD22 ASN 110 2HD2 ASN 110 7.185 -1.433 -16.067 842 H GLY 111 HN GLY 111 8.320 -6.613 -12.621 843 HA2 GLY 111 2HA GLY 111 10.633 -6.802 -12.344 844 HA3 GLY 111 1HA GLY 111 10.896 -5.925 -13.851 845 H LEU 112 HN LEU 112 8.793 -4.980 -11.241 846 HA LEU 112 HA LEU 112 10.499 -2.668 -10.544 847 HB2 LEU 112 2HB LEU 112 7.479 -2.904 -10.389 848 HB3 LEU 112 1HB LEU 112 8.408 -1.531 -9.808 849 HG LEU 112 HG LEU 112 8.332 -2.414 -12.727 850 HD11 LEU 112 1HD1 LEU 112 6.121 -1.646 -12.005 851 HD12 LEU 112 2HD1 LEU 112 6.871 -0.512 -13.126 852 HD13 LEU 112 3HD1 LEU 112 6.831 -0.144 -11.403 853 HD21 LEU 112 3HD2 LEU 112 9.422 0.093 -11.407 854 HD22 LEU 112 1HD2 LEU 112 9.332 -0.190 -13.151 855 HD23 LEU 112 2HD2 LEU 112 10.369 -1.201 -12.149 856 H ARG 113 HN ARG 113 9.964 -1.888 -8.249 857 HA ARG 113 HA ARG 113 9.914 -4.223 -6.406 858 HB2 ARG 113 2HB ARG 113 12.201 -3.279 -6.760 859 HB3 ARG 113 1HB ARG 113 11.639 -1.703 -6.232 860 HG2 ARG 113 2HG ARG 113 11.493 -4.109 -4.390 861 HG3 ARG 113 1HG ARG 113 12.987 -3.193 -4.575 862 HD2 ARG 113 2HD ARG 113 11.741 -1.128 -3.896 863 HD3 ARG 113 1HD ARG 113 10.325 -2.128 -3.588 864 HE ARG 113 HE ARG 113 11.549 -3.220 -1.806 865 HH11 ARG 113 1HH1 ARG 113 13.051 -0.285 -3.038 866 HH12 ARG 113 2HH1 ARG 113 13.856 0.073 -1.548 867 HH21 ARG 113 1HH2 ARG 113 12.579 -2.703 0.161 868 HH22 ARG 113 2HH2 ARG 113 13.585 -1.297 0.260 869 H TYR 114 HN TYR 114 8.038 -4.115 -5.267 870 HA TYR 114 HA TYR 114 6.493 -1.661 -5.164 871 HB2 TYR 114 2HB TYR 114 5.520 -3.952 -5.642 872 HB3 TYR 114 1HB TYR 114 5.832 -4.390 -3.973 873 HD1 TYR 114 HD2 TYR 114 4.058 -1.706 -5.953 874 HD2 TYR 114 HD1 TYR 114 4.008 -4.186 -2.472 875 HE1 TYR 114 HE2 TYR 114 1.826 -0.855 -5.372 876 HE2 TYR 114 HE1 TYR 114 1.777 -3.341 -1.901 877 HH TYR 114 HH TYR 114 0.386 -1.351 -2.343 878 H CYS 115 HN CYS 115 7.315 -0.169 -3.730 879 HA CYS 115 HA CYS 115 7.974 -1.056 -0.969 880 HB2 CYS 115 2HB CYS 115 9.971 -0.346 -2.282 881 HB3 CYS 115 1HB CYS 115 9.240 1.234 -2.537 882 HG CYS 115 HG CYS 115 9.511 0.260 0.671 883 H ILE 116 HN ILE 116 6.272 -0.492 0.205 884 HA ILE 116 HA ILE 116 4.961 2.144 -0.177 885 HB ILE 116 HB ILE 116 3.722 -0.375 1.038 886 HG12 ILE 116 2HG1 ILE 116 4.144 -0.774 -1.354 887 HG13 ILE 116 1HG1 ILE 116 2.420 -0.599 -1.061 888 HG21 ILE 116 1HG2 ILE 116 1.577 0.850 0.763 889 HG22 ILE 116 2HG2 ILE 116 2.471 2.262 0.211 890 HG23 ILE 116 3HG2 ILE 116 2.684 1.678 1.860 891 HD11 ILE 116 3HD1 ILE 116 3.056 0.497 -3.108 892 HD12 ILE 116 1HD1 ILE 116 4.253 1.477 -2.260 893 HD13 ILE 116 2HD1 ILE 116 2.532 1.702 -1.933 894 H ASN 117 HN ASN 117 4.336 3.237 1.752 895 HA ASN 117 HA ASN 117 6.149 2.842 4.017 896 HB2 ASN 117 2HB ASN 117 5.355 5.069 4.726 897 HB3 ASN 117 1HB ASN 117 5.882 5.098 3.047 898 HD21 ASN 117 1HD2 ASN 117 4.251 5.207 1.379 899 HD22 ASN 117 2HD2 ASN 117 2.686 5.847 1.729 900 H SER 118 HN SER 118 5.289 2.974 6.260 901 HA SER 118 HA SER 118 3.262 0.945 6.614 902 HB2 SER 118 2HB SER 118 4.681 2.546 8.789 903 HB3 SER 118 1HB SER 118 3.903 0.968 8.952 904 HG SER 118 HG SER 118 6.345 1.642 7.719 905 H ALA 119 HN ALA 119 3.357 4.422 6.745 906 HA ALA 119 HA ALA 119 1.132 4.923 8.458 907 HB1 ALA 119 3HB ALA 119 2.340 6.704 6.307 908 HB2 ALA 119 1HB ALA 119 2.845 6.625 7.995 909 HB3 ALA 119 2HB ALA 119 1.242 7.229 7.586 910 H ALA 120 HN ALA 120 1.482 4.376 4.986 911 HA ALA 120 HA ALA 120 -1.116 5.281 4.196 912 HB1 ALA 120 3HB ALA 120 0.778 3.371 2.779 913 HB2 ALA 120 1HB ALA 120 0.761 5.128 2.605 914 HB3 ALA 120 2HB ALA 120 -0.615 4.174 2.047 915 H LEU 121 HN LEU 121 0.106 2.365 5.560 916 HA LEU 121 HA LEU 121 -2.006 0.673 4.458 917 HB2 LEU 121 2HB LEU 121 0.480 -0.098 6.022 918 HB3 LEU 121 1HB LEU 121 -0.599 -1.191 5.155 919 HG LEU 121 HG LEU 121 1.207 0.919 3.924 920 HD11 LEU 121 1HD1 LEU 121 1.354 -2.094 3.793 921 HD12 LEU 121 2HD1 LEU 121 2.443 -1.004 4.664 922 HD13 LEU 121 3HD1 LEU 121 2.382 -0.957 2.905 923 HD21 LEU 121 3HD2 LEU 121 -0.802 -0.898 2.561 924 HD22 LEU 121 1HD2 LEU 121 0.454 0.033 1.728 925 HD23 LEU 121 2HD2 LEU 121 -0.803 0.870 2.624 926 H ARG 122 HN ARG 122 -3.147 -0.742 5.698 927 HA ARG 122 HA ARG 122 -3.317 -0.374 8.623 928 HB2 ARG 122 2HB ARG 122 -5.153 0.910 7.326 929 HB3 ARG 122 1HB ARG 122 -5.772 -0.648 6.825 930 HG2 ARG 122 2HG ARG 122 -6.196 -1.245 9.180 931 HG3 ARG 122 1HG ARG 122 -5.516 0.302 9.701 932 HD2 ARG 122 2HD ARG 122 -7.324 1.418 8.265 933 HD3 ARG 122 1HD ARG 122 -8.069 -0.180 8.131 934 HE ARG 122 HE ARG 122 -7.614 0.394 10.852 935 HH11 ARG 122 1HH1 ARG 122 -9.746 1.442 8.249 936 HH12 ARG 122 2HH1 ARG 122 -10.960 2.026 9.343 937 HH21 ARG 122 1HH2 ARG 122 -9.212 1.207 12.242 938 HH22 ARG 122 2HH2 ARG 122 -10.659 1.891 11.574 939 H PHE 123 HN PHE 123 -2.881 -2.343 9.411 940 HA PHE 123 HA PHE 123 -3.134 -4.765 7.913 941 HB2 PHE 123 2HB PHE 123 -2.266 -5.878 9.874 942 HB3 PHE 123 1HB PHE 123 -1.417 -4.342 9.782 943 HD1 PHE 123 HD1 PHE 123 -2.328 -2.379 11.272 944 HD2 PHE 123 HD2 PHE 123 -3.380 -6.483 11.878 945 HE1 PHE 123 HE1 PHE 123 -3.087 -1.863 13.557 946 HE2 PHE 123 HE2 PHE 123 -4.126 -5.950 14.153 947 HZ PHE 123 HZ PHE 123 -3.984 -3.647 14.990 948 H VAL 124 HN VAL 124 -4.964 -5.961 7.751 949 HA VAL 124 HA VAL 124 -7.149 -5.546 9.703 950 HB VAL 124 HB VAL 124 -7.542 -6.390 6.798 951 HG11 VAL 124 1HG1 VAL 124 -9.940 -5.900 7.260 952 HG12 VAL 124 2HG1 VAL 124 -9.528 -5.494 8.927 953 HG13 VAL 124 3HG1 VAL 124 -9.314 -7.149 8.348 954 HG21 VAL 124 3HG2 VAL 124 -8.358 -4.101 6.334 955 HG22 VAL 124 1HG2 VAL 124 -6.667 -4.062 6.857 956 HG23 VAL 124 2HG2 VAL 124 -7.951 -3.610 7.983 957 HA PRO 125 HA PRO 125 -5.560 -9.757 10.445 958 HB2 PRO 125 2HB PRO 125 -7.011 -10.210 12.762 959 HB3 PRO 125 1HB PRO 125 -5.488 -9.309 12.710 960 HG2 PRO 125 2HG PRO 125 -8.311 -8.245 12.719 961 HG3 PRO 125 1HG PRO 125 -6.906 -7.692 13.656 962 HD2 PRO 125 2HD PRO 125 -7.694 -6.383 11.435 963 HD3 PRO 125 1HD PRO 125 -5.968 -6.555 11.823 964 H LYS 126 HN LYS 126 -6.414 -11.840 10.358 965 HA LYS 126 HA LYS 126 -8.301 -12.563 8.578 966 HB2 LYS 126 2HB LYS 126 -8.207 -14.811 9.610 967 HB3 LYS 126 1HB LYS 126 -6.615 -14.061 9.551 968 HG2 LYS 126 2HG LYS 126 -7.038 -13.336 11.984 969 HG3 LYS 126 1HG LYS 126 -8.418 -14.426 11.960 970 HD2 LYS 126 2HD LYS 126 -6.599 -15.593 12.985 971 HD3 LYS 126 1HD LYS 126 -6.820 -16.302 11.384 972 HE2 LYS 126 2HE LYS 126 -4.879 -15.175 10.528 973 HE3 LYS 126 1HE LYS 126 -4.774 -14.133 11.947 974 HZ1 LYS 126 3HZ LYS 126 -3.130 -15.852 12.058 975 HZ2 LYS 126 1HZ LYS 126 -4.305 -17.059 11.893 976 HZ3 LYS 126 2HZ LYS 126 -4.272 -16.095 13.282 977 H HIS 127 HN HIS 127 -8.931 -12.099 12.032 978 HA HIS 127 HA HIS 127 -11.623 -13.068 12.107 979 HB2 HIS 127 2HB HIS 127 -10.067 -13.047 14.073 980 HB3 HIS 127 1HB HIS 127 -10.144 -11.291 14.108 981 HD1 HIS 127 HD1 HIS 127 -12.515 -10.255 14.796 982 HD2 HIS 127 HD2 HIS 127 -12.091 -14.350 15.398 983 HE1 HIS 127 HE1 HIS 127 -14.367 -10.894 16.371 984 HE2 HIS 127 HE2 HIS 127 -14.156 -13.390 16.643 985 H LYS 128 HN LYS 128 -10.202 -10.044 11.302 986 HA LYS 128 HA LYS 128 -12.697 -8.518 11.597 987 HB2 LYS 128 2HB LYS 128 -10.488 -7.607 12.455 988 HB3 LYS 128 1HB LYS 128 -9.914 -7.545 10.794 989 HG2 LYS 128 2HG LYS 128 -10.624 -5.339 11.495 990 HG3 LYS 128 1HG LYS 128 -11.723 -5.935 10.248 991 HD2 LYS 128 2HD LYS 128 -13.336 -6.601 12.050 992 HD3 LYS 128 1HD LYS 128 -12.244 -5.898 13.250 993 HE2 LYS 128 2HE LYS 128 -13.576 -4.387 10.978 994 HE3 LYS 128 1HE LYS 128 -14.100 -4.375 12.660 995 HZ1 LYS 128 3HZ LYS 128 -11.470 -3.394 11.676 996 HZ2 LYS 128 1HZ LYS 128 -12.007 -3.356 13.281 997 HZ3 LYS 128 2HZ LYS 128 -12.785 -2.422 12.103 998 H LEU 129 HN LEU 129 -10.787 -10.190 9.199 999 HA LEU 129 HA LEU 129 -11.408 -8.651 6.915 1000 HB2 LEU 129 2HB LEU 129 -10.662 -11.570 7.252 1001 HB3 LEU 129 1HB LEU 129 -10.883 -10.828 5.671 1002 HG LEU 129 HG LEU 129 -8.830 -9.927 7.734 1003 HD11 LEU 129 1HD1 LEU 129 -8.414 -11.506 5.189 1004 HD12 LEU 129 2HD1 LEU 129 -8.261 -12.122 6.840 1005 HD13 LEU 129 3HD1 LEU 129 -7.144 -10.889 6.255 1006 HD21 LEU 129 3HD2 LEU 129 -9.587 -8.094 6.315 1007 HD22 LEU 129 1HD2 LEU 129 -9.245 -9.045 4.868 1008 HD23 LEU 129 2HD2 LEU 129 -7.928 -8.537 5.931 1009 H LYS 130 HN LYS 130 -13.123 -11.418 8.415 1010 HA LYS 130 HA LYS 130 -15.173 -11.609 6.472 1011 HB2 LYS 130 2HB LYS 130 -16.391 -12.924 8.272 1012 HB3 LYS 130 1HB LYS 130 -14.794 -13.503 7.842 1013 HG2 LYS 130 2HG LYS 130 -14.924 -13.722 10.187 1014 HG3 LYS 130 1HG LYS 130 -13.904 -12.314 9.901 1015 HD2 LYS 130 2HD LYS 130 -15.410 -11.861 11.753 1016 HD3 LYS 130 1HD LYS 130 -15.857 -10.839 10.385 1017 HE2 LYS 130 2HE LYS 130 -17.865 -11.717 11.427 1018 HE3 LYS 130 1HE LYS 130 -17.689 -12.443 9.831 1019 HZ1 LYS 130 3HZ LYS 130 -16.999 -13.728 12.427 1020 HZ2 LYS 130 1HZ LYS 130 -16.782 -14.431 10.902 1021 HZ3 LYS 130 2HZ LYS 130 -18.337 -14.087 11.456 1022 H GLU 131 HN GLU 131 -14.667 -9.244 8.927 1023 HA GLU 131 HA GLU 131 -17.389 -8.224 8.931 1024 HB2 GLU 131 2HB GLU 131 -14.769 -7.034 9.955 1025 HB3 GLU 131 1HB GLU 131 -16.354 -6.300 10.176 1026 HG2 GLU 131 2HG GLU 131 -15.575 -9.018 11.263 1027 HG3 GLU 131 1HG GLU 131 -15.455 -7.513 12.174 1028 H GLU 132 HN GLU 132 -14.274 -7.608 7.304 1029 HA GLU 132 HA GLU 132 -15.217 -4.998 6.294 1030 HB2 GLU 132 2HB GLU 132 -12.403 -6.173 6.455 1031 HB3 GLU 132 1HB GLU 132 -12.795 -4.549 5.884 1032 HG2 GLU 132 2HG GLU 132 -13.188 -5.624 8.692 1033 HG3 GLU 132 1HG GLU 132 -11.940 -4.501 8.167 1034 H GLY 133 HN GLY 133 -15.300 -8.089 5.109 1035 HA2 GLY 133 2HA GLY 133 -15.956 -8.342 2.787 1036 HA3 GLY 133 1HA GLY 133 -14.768 -7.128 2.339 1037 H TYR 134 HN TYR 134 -14.748 -10.175 4.260 1038 HA TYR 134 HA TYR 134 -12.314 -11.188 3.985 1039 HB2 TYR 134 2HB TYR 134 -13.313 -13.442 4.162 1040 HB3 TYR 134 1HB TYR 134 -14.149 -12.295 5.192 1041 HD1 TYR 134 HD2 TYR 134 -16.417 -11.332 4.337 1042 HD2 TYR 134 HD1 TYR 134 -14.534 -14.746 2.574 1043 HE1 TYR 134 HE2 TYR 134 -18.557 -11.991 3.310 1044 HE2 TYR 134 HE1 TYR 134 -16.669 -15.396 1.549 1045 HH TYR 134 HH TYR 134 -19.306 -13.325 1.306 1046 H GLU 135 HN GLU 135 -14.578 -11.070 1.335 1047 HA GLU 135 HA GLU 135 -13.484 -12.843 -0.500 1048 HB2 GLU 135 2HB GLU 135 -14.930 -10.228 -1.060 1049 HB3 GLU 135 1HB GLU 135 -14.705 -11.543 -2.216 1050 HG2 GLU 135 2HG GLU 135 -15.990 -13.053 -0.703 1051 HG3 GLU 135 1HG GLU 135 -16.277 -11.695 0.380 1052 H SER 136 HN SER 136 -11.950 -10.102 0.692 1053 HA SER 136 HA SER 136 -10.441 -9.377 -1.704 1054 HB2 SER 136 2HB SER 136 -10.260 -8.314 1.144 1055 HB3 SER 136 1HB SER 136 -9.502 -7.609 -0.282 1056 HG SER 136 HG SER 136 -11.923 -7.173 0.675 1057 H TYR 137 HN TYR 137 -9.902 -11.045 1.405 1058 HA TYR 137 HA TYR 137 -7.215 -11.913 0.457 1059 HB2 TYR 137 2HB TYR 137 -7.137 -11.004 2.714 1060 HB3 TYR 137 1HB TYR 137 -8.462 -12.027 3.239 1061 HD1 TYR 137 HD2 TYR 137 -5.058 -12.424 1.664 1062 HD2 TYR 137 HD1 TYR 137 -7.842 -13.920 4.529 1063 HE1 TYR 137 HE2 TYR 137 -3.465 -14.159 2.319 1064 HE2 TYR 137 HE1 TYR 137 -6.246 -15.674 5.168 1065 HH TYR 137 HH TYR 137 -2.983 -15.720 3.902 1066 H LEU 138 HN LEU 138 -10.062 -13.245 2.080 1067 HA LEU 138 HA LEU 138 -9.134 -15.904 2.089 1068 HB2 LEU 138 2HB LEU 138 -11.915 -14.772 2.594 1069 HB3 LEU 138 1HB LEU 138 -11.453 -16.435 2.904 1070 HG LEU 138 HG LEU 138 -9.731 -15.526 4.586 1071 HD11 LEU 138 1HD1 LEU 138 -11.317 -12.957 4.341 1072 HD12 LEU 138 2HD1 LEU 138 -9.634 -13.166 3.869 1073 HD13 LEU 138 3HD1 LEU 138 -10.102 -13.307 5.566 1074 HD21 LEU 138 3HD2 LEU 138 -12.655 -15.011 5.181 1075 HD22 LEU 138 1HD2 LEU 138 -11.376 -15.191 6.388 1076 HD23 LEU 138 2HD2 LEU 138 -11.812 -16.556 5.354 1077 H HIS 139 HN HIS 139 -11.161 -14.117 -0.195 1078 HA HIS 139 HA HIS 139 -11.507 -16.462 -1.909 1079 HB2 HIS 139 2HB HIS 139 -13.355 -14.895 -1.855 1080 HB3 HIS 139 1HB HIS 139 -12.301 -13.565 -2.298 1081 HD1 HIS 139 HD1 HIS 139 -12.294 -12.980 -4.704 1082 HD2 HIS 139 HD2 HIS 139 -13.548 -16.897 -4.092 1083 HE1 HIS 139 HE1 HIS 139 -12.998 -13.823 -6.961 1084 HE2 HIS 139 HE2 HIS 139 -13.734 -16.200 -6.578 1085 H LEU 140 HN LEU 140 -9.880 -13.233 -2.265 1086 HA LEU 140 HA LEU 140 -8.929 -13.667 -4.880 1087 HB2 LEU 140 2HB LEU 140 -7.947 -11.770 -2.722 1088 HB3 LEU 140 1HB LEU 140 -7.305 -11.748 -4.356 1089 HG LEU 140 HG LEU 140 -10.167 -11.108 -3.541 1090 HD11 LEU 140 1HD1 LEU 140 -8.574 -9.340 -2.952 1091 HD12 LEU 140 2HD1 LEU 140 -9.629 -8.822 -4.270 1092 HD13 LEU 140 3HD1 LEU 140 -7.966 -9.308 -4.614 1093 HD21 LEU 140 3HD2 LEU 140 -10.181 -12.224 -5.712 1094 HD22 LEU 140 1HD2 LEU 140 -8.928 -11.131 -6.317 1095 HD23 LEU 140 2HD2 LEU 140 -10.531 -10.510 -5.909 1096 H PHE 141 HN PHE 141 -7.105 -13.845 -1.828 1097 HA PHE 141 HA PHE 141 -4.784 -15.072 -3.102 1098 HB2 PHE 141 2HB PHE 141 -4.622 -13.469 -1.151 1099 HB3 PHE 141 1HB PHE 141 -5.368 -14.688 -0.130 1100 HD1 PHE 141 HD1 PHE 141 -2.363 -13.985 -2.234 1101 HD2 PHE 141 HD2 PHE 141 -4.019 -16.391 0.895 1102 HE1 PHE 141 HE1 PHE 141 -0.135 -14.884 -1.740 1103 HE2 PHE 141 HE2 PHE 141 -1.782 -17.286 1.384 1104 HZ PHE 141 HZ PHE 141 0.164 -16.530 0.070 1105 H ASN 142 HN ASN 142 -7.473 -15.972 -1.043 1106 HA ASN 142 HA ASN 142 -8.231 -17.829 -0.060 1107 HB2 ASN 142 2HB ASN 142 -8.958 -18.210 -2.401 1108 HB3 ASN 142 1HB ASN 142 -7.483 -19.113 -2.719 1109 HD21 ASN 142 1HD2 ASN 142 -10.449 -19.104 -0.785 1110 HD22 ASN 142 2HD2 ASN 142 -10.522 -20.815 -0.559 1111 H LYS 143 HN LYS 143 -6.822 -18.042 1.616 1112 HA LYS 143 HA LYS 143 -4.263 -19.260 1.574 1113 HB2 LYS 143 2HB LYS 143 -5.173 -17.736 3.384 1114 HB3 LYS 143 1HB LYS 143 -6.202 -19.058 3.920 1115 HG2 LYS 143 2HG LYS 143 -3.913 -20.375 4.132 1116 HG3 LYS 143 1HG LYS 143 -3.204 -18.760 4.129 1117 HD2 LYS 143 2HD LYS 143 -3.523 -19.480 6.422 1118 HD3 LYS 143 1HD LYS 143 -4.651 -18.163 6.085 1119 HE2 LYS 143 2HE LYS 143 -6.486 -19.754 5.820 1120 HE3 LYS 143 1HE LYS 143 -5.382 -21.117 5.987 1121 HZ1 LYS 143 3HZ LYS 143 -6.605 -20.693 8.004 1122 HZ2 LYS 143 1HZ LYS 143 -5.991 -19.122 8.084 1123 HZ3 LYS 143 2HZ LYS 143 -4.953 -20.444 8.253 1124 H LEU 144 HN LEU 144 -7.527 -20.458 1.951 1125 HA LEU 144 HA LEU 144 -7.386 -22.911 3.100 1126 HB2 LEU 144 2HB LEU 144 -9.491 -21.930 2.381 1127 HB3 LEU 144 1HB LEU 144 -9.026 -22.050 0.692 1128 HG LEU 144 HG LEU 144 -9.123 -24.551 0.872 1129 HD11 LEU 144 1HD1 LEU 144 -10.253 -24.076 3.645 1130 HD12 LEU 144 2HD1 LEU 144 -8.693 -24.811 3.263 1131 HD13 LEU 144 3HD1 LEU 144 -10.184 -25.625 2.799 1132 HD21 LEU 144 3HD2 LEU 144 -11.708 -23.146 1.619 1133 HD22 LEU 144 1HD2 LEU 144 -11.570 -24.737 0.865 1134 HD23 LEU 144 2HD2 LEU 144 -11.043 -23.299 -0.010 1135 H GLU 145 HN GLU 145 -6.300 -24.751 2.730 1136 HA GLU 145 HA GLU 145 -4.503 -25.150 0.623 1137 HB2 GLU 145 2HB GLU 145 -5.724 -27.149 2.563 1138 HB3 GLU 145 1HB GLU 145 -4.365 -27.507 1.499 1139 HG2 GLU 145 2HG GLU 145 -2.980 -25.840 2.615 1140 HG3 GLU 145 1HG GLU 145 -4.341 -25.313 3.606 1141 H HIS 146 HN HIS 146 -4.753 -25.845 -1.384 1142 HA HIS 146 HA HIS 146 -7.413 -26.125 -2.445 1143 HB2 HIS 146 2HB HIS 146 -4.699 -26.208 -3.832 1144 HB3 HIS 146 1HB HIS 146 -6.252 -26.207 -4.667 1145 HD1 HIS 146 HD1 HIS 146 -3.975 -23.936 -4.805 1146 HD2 HIS 146 HD2 HIS 146 -7.553 -23.764 -2.697 1147 HE1 HIS 146 HE1 HIS 146 -4.462 -21.484 -4.498 1148 HE2 HIS 146 HE2 HIS 146 -6.689 -21.412 -3.317 1149 H HIS 147 HN HIS 147 -8.420 -27.972 -2.129 1150 HA HIS 147 HA HIS 147 -7.119 -30.584 -2.496 1151 HB2 HIS 147 2HB HIS 147 -8.491 -30.381 -0.475 1152 HB3 HIS 147 1HB HIS 147 -9.871 -29.807 -1.405 1153 HD1 HIS 147 HD1 HIS 147 -11.346 -31.555 -2.510 1154 HD2 HIS 147 HD2 HIS 147 -7.985 -33.192 -0.687 1155 HE1 HIS 147 HE1 HIS 147 -11.712 -34.044 -2.531 1156 HE2 HIS 147 HE2 HIS 147 -9.750 -34.999 -1.280 Start of MODEL 5 1 H1 MET 1 1H MET 1 -12.585 10.649 23.384 2 H2 MET 1 2H MET 1 -14.249 10.897 23.507 3 H3 MET 1 3H MET 1 -13.186 12.190 23.752 4 HA MET 1 HA MET 1 -14.218 12.348 21.599 5 HB2 MET 1 2HB MET 1 -11.282 11.530 21.399 6 HB3 MET 1 1HB MET 1 -12.159 12.468 20.197 7 HG2 MET 1 2HG MET 1 -12.427 14.301 21.782 8 HG3 MET 1 1HG MET 1 -11.620 13.358 23.039 9 HE1 MET 1 3HE MET 1 -8.932 16.109 22.217 10 HE2 MET 1 1HE MET 1 -9.844 15.318 23.499 11 HE3 MET 1 2HE MET 1 -10.684 16.309 22.303 12 H ALA 2 HN ALA 2 -15.158 11.307 19.892 13 HA ALA 2 HA ALA 2 -14.301 8.592 19.117 14 HB1 ALA 2 3HB ALA 2 -17.187 9.301 19.773 15 HB2 ALA 2 1HB ALA 2 -16.142 8.263 20.737 16 HB3 ALA 2 2HB ALA 2 -16.623 7.760 19.115 17 H TYR 3 HN TYR 3 -13.482 9.479 17.245 18 HA TYR 3 HA TYR 3 -14.943 11.276 15.529 19 HB2 TYR 3 2HB TYR 3 -12.305 9.799 15.087 20 HB3 TYR 3 1HB TYR 3 -12.957 11.025 14.003 21 HD1 TYR 3 HD1 TYR 3 -11.418 10.451 17.326 22 HD2 TYR 3 HD2 TYR 3 -12.876 13.410 14.599 23 HE1 TYR 3 HE1 TYR 3 -10.359 12.215 18.665 24 HE2 TYR 3 HE2 TYR 3 -11.811 15.169 15.945 25 HH TYR 3 HH TYR 3 -11.073 15.503 18.297 26 H ASN 4 HN ASN 4 -16.307 10.737 13.987 27 HA ASN 4 HA ASN 4 -16.895 8.053 13.179 28 HB2 ASN 4 2HB ASN 4 -17.841 10.768 12.188 29 HB3 ASN 4 1HB ASN 4 -18.386 9.261 11.460 30 HD21 ASN 4 1HD2 ASN 4 -20.518 9.845 12.024 31 HD22 ASN 4 2HD2 ASN 4 -21.112 9.634 13.632 32 H LYS 5 HN LYS 5 -17.181 7.787 10.605 33 HA LYS 5 HA LYS 5 -14.705 6.981 9.691 34 HB2 LYS 5 2HB LYS 5 -17.278 7.536 8.182 35 HB3 LYS 5 1HB LYS 5 -15.855 6.950 7.339 36 HG2 LYS 5 2HG LYS 5 -17.334 5.104 7.787 37 HG3 LYS 5 1HG LYS 5 -15.865 4.906 8.741 38 HD2 LYS 5 2HD LYS 5 -17.015 5.570 10.769 39 HD3 LYS 5 1HD LYS 5 -18.453 6.052 9.864 40 HE2 LYS 5 2HE LYS 5 -17.406 3.201 10.034 41 HE3 LYS 5 1HE LYS 5 -18.703 3.864 11.031 42 HZ1 LYS 5 3HZ LYS 5 -19.552 2.643 9.121 43 HZ2 LYS 5 1HZ LYS 5 -18.755 3.695 8.063 44 HZ3 LYS 5 2HZ LYS 5 -20.002 4.270 9.051 45 H GLU 6 HN GLU 6 -16.527 9.697 8.290 46 HA GLU 6 HA GLU 6 -14.457 10.759 6.722 47 HB2 GLU 6 2HB GLU 6 -15.837 12.812 6.513 48 HB3 GLU 6 1HB GLU 6 -16.762 11.350 6.232 49 HG2 GLU 6 2HG GLU 6 -16.802 12.698 8.938 50 HG3 GLU 6 1HG GLU 6 -17.815 13.292 7.626 51 H GLU 7 HN GLU 7 -15.478 11.657 10.031 52 HA GLU 7 HA GLU 7 -13.758 13.778 10.557 53 HB2 GLU 7 2HB GLU 7 -14.522 11.590 12.536 54 HB3 GLU 7 1HB GLU 7 -13.991 13.221 12.942 55 HG2 GLU 7 2HG GLU 7 -16.563 12.452 11.542 56 HG3 GLU 7 1HG GLU 7 -16.403 12.989 13.214 57 H LYS 8 HN LYS 8 -13.074 10.374 10.531 58 HA LYS 8 HA LYS 8 -10.412 10.544 11.702 59 HB2 LYS 8 2HB LYS 8 -11.811 8.239 10.271 60 HB3 LYS 8 1HB LYS 8 -10.205 8.126 10.987 61 HG2 LYS 8 2HG LYS 8 -11.190 8.641 13.216 62 HG3 LYS 8 1HG LYS 8 -12.791 8.667 12.474 63 HD2 LYS 8 2HD LYS 8 -12.439 6.511 13.543 64 HD3 LYS 8 1HD LYS 8 -12.493 6.291 11.794 65 HE2 LYS 8 2HE LYS 8 -10.041 6.111 11.714 66 HE3 LYS 8 1HE LYS 8 -9.931 6.440 13.443 67 HZ1 LYS 8 3HZ LYS 8 -11.215 4.080 12.186 68 HZ2 LYS 8 1HZ LYS 8 -11.158 4.387 13.849 69 HZ3 LYS 8 2HZ LYS 8 -9.729 4.099 12.991 70 H ILE 9 HN ILE 9 -11.861 10.180 8.497 71 HA ILE 9 HA ILE 9 -9.541 9.837 6.947 72 HB ILE 9 HB ILE 9 -12.316 10.887 6.232 73 HG12 ILE 9 2HG1 ILE 9 -12.395 8.574 6.930 74 HG13 ILE 9 1HG1 ILE 9 -12.564 8.586 5.182 75 HG21 ILE 9 1HG2 ILE 9 -10.136 10.151 4.247 76 HG22 ILE 9 2HG2 ILE 9 -10.781 11.768 4.532 77 HG23 ILE 9 3HG2 ILE 9 -11.817 10.516 3.848 78 HD11 ILE 9 3HD1 ILE 9 -10.080 7.883 6.748 79 HD12 ILE 9 1HD1 ILE 9 -10.180 7.960 4.986 80 HD13 ILE 9 2HD1 ILE 9 -11.139 6.778 5.874 81 H LYS 10 HN LYS 10 -11.150 12.793 8.088 82 HA LYS 10 HA LYS 10 -9.859 14.645 6.426 83 HB2 LYS 10 2HB LYS 10 -11.182 14.904 9.149 84 HB3 LYS 10 1HB LYS 10 -10.522 16.293 8.297 85 HG2 LYS 10 2HG LYS 10 -12.723 14.489 7.230 86 HG3 LYS 10 1HG LYS 10 -12.982 16.052 8.007 87 HD2 LYS 10 2HD LYS 10 -11.401 15.624 5.435 88 HD3 LYS 10 1HD LYS 10 -13.077 16.166 5.501 89 HE2 LYS 10 2HE LYS 10 -12.393 18.223 6.659 90 HE3 LYS 10 1HE LYS 10 -10.723 17.662 6.713 91 HZ1 LYS 10 3HZ LYS 10 -11.155 19.257 4.948 92 HZ2 LYS 10 1HZ LYS 10 -12.248 18.188 4.238 93 HZ3 LYS 10 2HZ LYS 10 -10.609 17.778 4.344 94 H SER 11 HN SER 11 -8.984 13.348 9.610 95 HA SER 11 HA SER 11 -6.600 14.971 9.881 96 HB2 SER 11 2HB SER 11 -7.913 14.136 11.854 97 HB3 SER 11 1HB SER 11 -7.435 12.487 11.446 98 HG SER 11 HG SER 11 -5.769 14.647 12.247 99 H LEU 12 HN LEU 12 -7.227 11.487 9.461 100 HA LEU 12 HA LEU 12 -4.795 10.407 9.143 101 HB2 LEU 12 2HB LEU 12 -6.920 9.210 9.309 102 HB3 LEU 12 1HB LEU 12 -7.382 9.770 7.712 103 HG LEU 12 HG LEU 12 -5.446 8.432 6.768 104 HD11 LEU 12 1HD1 LEU 12 -4.488 6.646 8.169 105 HD12 LEU 12 2HD1 LEU 12 -5.298 7.320 9.586 106 HD13 LEU 12 3HD1 LEU 12 -4.057 8.258 8.741 107 HD21 LEU 12 3HD2 LEU 12 -7.609 6.892 8.235 108 HD22 LEU 12 1HD2 LEU 12 -6.651 6.299 6.876 109 HD23 LEU 12 2HD2 LEU 12 -7.761 7.648 6.646 110 H ASN 13 HN ASN 13 -6.814 11.574 6.436 111 HA ASN 13 HA ASN 13 -4.955 10.738 4.426 112 HB2 ASN 13 2HB ASN 13 -7.454 12.460 4.216 113 HB3 ASN 13 1HB ASN 13 -6.464 12.021 2.826 114 HD21 ASN 13 1HD2 ASN 13 -7.408 9.973 5.628 115 HD22 ASN 13 2HD2 ASN 13 -8.273 8.827 4.677 116 H ARG 14 HN ARG 14 -5.386 13.709 6.225 117 HA ARG 14 HA ARG 14 -3.808 15.428 4.615 118 HB2 ARG 14 2HB ARG 14 -5.192 16.234 6.527 119 HB3 ARG 14 1HB ARG 14 -4.126 15.397 7.652 120 HG2 ARG 14 2HG ARG 14 -2.226 16.875 6.772 121 HG3 ARG 14 1HG ARG 14 -3.460 17.807 5.920 122 HD2 ARG 14 2HD ARG 14 -3.213 17.420 8.923 123 HD3 ARG 14 1HD ARG 14 -2.924 18.907 8.018 124 HE ARG 14 HE ARG 14 -5.519 17.670 8.615 125 HH11 ARG 14 1HH1 ARG 14 -3.811 20.346 7.126 126 HH12 ARG 14 2HH1 ARG 14 -5.218 21.357 7.060 127 HH21 ARG 14 1HH2 ARG 14 -7.337 18.999 8.530 128 HH22 ARG 14 2HH2 ARG 14 -7.208 20.601 7.880 129 H MET 15 HN MET 15 -3.017 13.253 7.305 130 HA MET 15 HA MET 15 -0.257 13.815 7.535 131 HB2 MET 15 2HB MET 15 -1.823 11.318 8.321 132 HB3 MET 15 1HB MET 15 -0.157 11.638 8.799 133 HG2 MET 15 2HG MET 15 -2.563 13.304 9.557 134 HG3 MET 15 1HG MET 15 -1.710 12.162 10.604 135 HE1 MET 15 3HE MET 15 -2.235 15.235 11.455 136 HE2 MET 15 1HE MET 15 -0.659 15.639 12.135 137 HE3 MET 15 2HE MET 15 -1.384 14.066 12.468 138 H GLN 16 HN GLN 16 -1.995 11.159 5.942 139 HA GLN 16 HA GLN 16 0.254 9.780 4.920 140 HB2 GLN 16 2HB GLN 16 -2.679 9.714 4.159 141 HB3 GLN 16 1HB GLN 16 -1.476 8.641 3.449 142 HG2 GLN 16 2HG GLN 16 -0.985 7.777 5.763 143 HG3 GLN 16 1HG GLN 16 -2.358 8.732 6.345 144 HE21 GLN 16 1HE2 GLN 16 -3.217 6.586 6.993 145 HE22 GLN 16 2HE2 GLN 16 -4.029 5.622 5.820 146 H TYR 17 HN TYR 17 -1.965 12.115 3.497 147 HA TYR 17 HA TYR 17 -0.927 12.253 0.868 148 HB2 TYR 17 2HB TYR 17 -3.019 13.437 1.536 149 HB3 TYR 17 1HB TYR 17 -2.063 14.600 2.446 150 HD1 TYR 17 HD1 TYR 17 -2.488 13.240 -1.033 151 HD2 TYR 17 HD2 TYR 17 -1.369 16.604 1.365 152 HE1 TYR 17 HE1 TYR 17 -2.282 14.617 -3.056 153 HE2 TYR 17 HE2 TYR 17 -1.165 17.977 -0.660 154 HH TYR 17 HH TYR 17 -0.766 17.661 -3.067 155 H GLU 18 HN GLU 18 0.033 14.032 3.791 156 HA GLU 18 HA GLU 18 2.120 15.575 2.658 157 HB2 GLU 18 2HB GLU 18 1.053 16.068 4.865 158 HB3 GLU 18 1HB GLU 18 1.802 14.632 5.548 159 HG2 GLU 18 2HG GLU 18 3.066 16.562 6.236 160 HG3 GLU 18 1HG GLU 18 4.048 15.638 5.101 161 H VAL 19 HN VAL 19 1.979 12.314 3.956 162 HA VAL 19 HA VAL 19 4.740 11.730 4.200 163 HB VAL 19 HB VAL 19 2.355 9.860 3.756 164 HG11 VAL 19 1HG1 VAL 19 5.221 9.083 4.421 165 HG12 VAL 19 2HG1 VAL 19 4.384 8.740 2.905 166 HG13 VAL 19 3HG1 VAL 19 3.842 7.980 4.399 167 HG21 VAL 19 3HG2 VAL 19 2.634 9.310 6.141 168 HG22 VAL 19 1HG2 VAL 19 2.382 11.044 5.924 169 HG23 VAL 19 2HG2 VAL 19 4.001 10.421 6.242 170 H THR 20 HN THR 20 2.453 10.595 1.677 171 HA THR 20 HA THR 20 4.440 9.608 -0.053 172 HB THR 20 HB THR 20 2.128 8.774 -0.080 173 HG1 THR 20 HG1 THR 20 1.892 9.011 -2.507 174 HG21 THR 20 3HG2 THR 20 1.376 11.426 -1.390 175 HG22 THR 20 1HG2 THR 20 0.931 10.945 0.247 176 HG23 THR 20 2HG2 THR 20 0.304 10.047 -1.136 177 H GLN 21 HN GLN 21 3.268 12.846 0.338 178 HA GLN 21 HA GLN 21 3.788 13.964 -2.218 179 HB2 GLN 21 2HB GLN 21 2.477 15.104 -0.464 180 HB3 GLN 21 1HB GLN 21 3.905 15.251 0.544 181 HG2 GLN 21 2HG GLN 21 3.860 16.531 -2.180 182 HG3 GLN 21 1HG GLN 21 3.014 17.297 -0.842 183 HE21 GLN 21 1HE2 GLN 21 4.954 16.595 1.201 184 HE22 GLN 21 2HE2 GLN 21 6.344 17.579 0.912 185 H ASN 22 HN ASN 22 5.859 13.224 0.492 186 HA ASN 22 HA ASN 22 8.300 14.026 -0.997 187 HB2 ASN 22 2HB ASN 22 7.929 15.443 0.967 188 HB3 ASN 22 1HB ASN 22 7.687 14.041 1.988 189 HD21 ASN 22 1HD2 ASN 22 10.299 14.591 -0.377 190 HD22 ASN 22 2HD2 ASN 22 11.563 14.536 0.791 191 H ASN 23 HN ASN 23 6.493 11.432 -0.095 192 HA ASN 23 HA ASN 23 6.679 9.271 0.490 193 HB2 ASN 23 2HB ASN 23 9.346 9.498 -0.965 194 HB3 ASN 23 1HB ASN 23 8.618 7.970 -0.480 195 HD21 ASN 23 1HD2 ASN 23 5.884 8.663 -1.123 196 HD22 ASN 23 2HD2 ASN 23 5.775 8.763 -2.837 197 H GLY 24 HN GLY 24 7.096 10.876 2.552 198 HA2 GLY 24 2HA GLY 24 9.438 10.324 4.106 199 HA3 GLY 24 1HA GLY 24 7.968 11.116 4.649 200 H THR 25 HN THR 25 8.953 9.657 6.463 201 HA THR 25 HA THR 25 7.332 7.198 6.590 202 HB THR 25 HB THR 25 9.493 6.313 6.019 203 HG1 THR 25 HG1 THR 25 9.157 6.054 8.849 204 HG21 THR 25 3HG2 THR 25 10.915 8.259 6.576 205 HG22 THR 25 1HG2 THR 25 11.563 6.773 7.275 206 HG23 THR 25 2HG2 THR 25 10.706 7.927 8.297 207 H GLU 26 HN GLU 26 6.107 7.180 8.336 208 HA GLU 26 HA GLU 26 6.947 8.532 10.844 209 HB2 GLU 26 2HB GLU 26 4.228 8.117 9.565 210 HB3 GLU 26 1HB GLU 26 4.323 8.101 11.317 211 HG2 GLU 26 2HG GLU 26 3.662 10.298 10.492 212 HG3 GLU 26 1HG GLU 26 5.199 10.369 11.346 213 HA PRO 27 HA PRO 27 7.069 4.413 12.793 214 HB2 PRO 27 2HB PRO 27 5.407 5.606 15.016 215 HB3 PRO 27 1HB PRO 27 6.945 4.733 15.113 216 HG2 PRO 27 2HG PRO 27 6.886 7.384 15.429 217 HG3 PRO 27 1HG PRO 27 8.203 6.612 14.520 218 HD2 PRO 27 2HD PRO 27 5.787 8.092 13.465 219 HD3 PRO 27 1HD PRO 27 7.479 8.146 12.915 220 HA PRO 28 HA PRO 28 3.173 2.967 11.024 221 HB2 PRO 28 2HB PRO 28 3.726 0.382 12.452 222 HB3 PRO 28 1HB PRO 28 3.473 0.690 10.729 223 HG2 PRO 28 2HG PRO 28 5.917 0.152 11.675 224 HG3 PRO 28 1HG PRO 28 5.699 1.348 10.381 225 HD2 PRO 28 2HD PRO 28 6.161 1.796 13.330 226 HD3 PRO 28 1HD PRO 28 6.855 2.662 11.939 227 H PHE 29 HN PHE 29 3.814 2.795 14.425 228 HA PHE 29 HA PHE 29 2.636 3.271 16.272 229 HB2 PHE 29 2HB PHE 29 0.234 3.683 14.445 230 HB3 PHE 29 1HB PHE 29 0.224 4.012 16.175 231 HD1 PHE 29 HD1 PHE 29 2.952 5.310 16.455 232 HD2 PHE 29 HD2 PHE 29 -0.132 5.868 13.539 233 HE1 PHE 29 HE1 PHE 29 3.749 7.601 16.039 234 HE2 PHE 29 HE2 PHE 29 0.680 8.159 13.128 235 HZ PHE 29 HZ PHE 29 2.617 9.023 14.378 236 H GLN 30 HN GLN 30 0.973 1.041 14.118 237 HA GLN 30 HA GLN 30 -0.318 -0.587 16.049 238 HB2 GLN 30 2HB GLN 30 0.677 -1.355 13.258 239 HB3 GLN 30 1HB GLN 30 -0.620 -2.130 14.168 240 HG2 GLN 30 2HG GLN 30 -2.110 -0.345 13.820 241 HG3 GLN 30 1HG GLN 30 -0.814 0.783 13.424 242 HE21 GLN 30 1HE2 GLN 30 -1.758 1.422 11.509 243 HE22 GLN 30 2HE2 GLN 30 -1.865 0.395 10.132 244 H ASN 31 HN ASN 31 2.661 -1.077 14.144 245 HA ASN 31 HA ASN 31 4.232 -1.939 16.377 246 HB2 ASN 31 2HB ASN 31 2.933 -4.048 15.842 247 HB3 ASN 31 1HB ASN 31 3.652 -4.035 14.235 248 HD21 ASN 31 1HD2 ASN 31 4.246 -4.515 17.643 249 HD22 ASN 31 2HD2 ASN 31 5.759 -5.325 17.466 250 H GLU 32 HN GLU 32 6.444 -1.943 15.823 251 HA GLU 32 HA GLU 32 7.101 -0.071 13.791 252 HB2 GLU 32 2HB GLU 32 8.995 -1.752 15.510 253 HB3 GLU 32 1HB GLU 32 9.459 -0.359 14.544 254 HG2 GLU 32 2HG GLU 32 9.367 0.388 16.787 255 HG3 GLU 32 1HG GLU 32 7.944 1.053 15.991 256 H TYR 33 HN TYR 33 7.468 -3.567 14.118 257 HA TYR 33 HA TYR 33 8.930 -3.761 11.551 258 HB2 TYR 33 2HB TYR 33 9.890 -4.785 13.678 259 HB3 TYR 33 1HB TYR 33 8.533 -5.900 13.702 260 HD1 TYR 33 HD1 TYR 33 11.639 -4.950 11.915 261 HD2 TYR 33 HD2 TYR 33 8.493 -7.832 12.179 262 HE1 TYR 33 HE1 TYR 33 12.930 -6.483 10.506 263 HE2 TYR 33 HE2 TYR 33 9.787 -9.370 10.762 264 HH TYR 33 HH TYR 33 11.621 -9.163 9.007 265 H TRP 34 HN TRP 34 5.855 -4.271 13.033 266 HA TRP 34 HA TRP 34 4.036 -5.530 12.722 267 HB2 TRP 34 2HB TRP 34 4.891 -5.076 9.848 268 HB3 TRP 34 1HB TRP 34 3.498 -6.089 10.197 269 HD1 TRP 34 HD1 TRP 34 2.145 -4.358 12.504 270 HE1 TRP 34 HE1 TRP 34 0.979 -2.162 11.878 271 HE3 TRP 34 HE3 TRP 34 4.534 -3.371 8.075 272 HZ2 TRP 34 HZ2 TRP 34 1.042 -0.259 9.827 273 HZ3 TRP 34 HZ3 TRP 34 3.916 -1.322 6.843 274 HH2 TRP 34 HH2 TRP 34 2.204 0.198 7.709 275 H ASP 35 HN ASP 35 5.777 -6.910 13.848 276 HA ASP 35 HA ASP 35 6.810 -9.220 12.571 277 HB2 ASP 35 2HB ASP 35 7.499 -9.958 14.743 278 HB3 ASP 35 1HB ASP 35 7.667 -8.209 14.741 279 H HIS 36 HN HIS 36 3.732 -8.455 14.073 280 HA HIS 36 HA HIS 36 2.693 -11.165 13.990 281 HB2 HIS 36 2HB HIS 36 1.290 -8.488 14.328 282 HB3 HIS 36 1HB HIS 36 0.385 -9.989 14.156 283 HD1 HIS 36 HD1 HIS 36 -0.488 -10.459 16.422 284 HD2 HIS 36 HD2 HIS 36 3.490 -9.280 16.546 285 HE1 HIS 36 HE1 HIS 36 0.202 -10.696 18.825 286 HE2 HIS 36 HE2 HIS 36 2.566 -9.829 18.893 287 H LYS 37 HN LYS 37 3.160 -11.927 12.042 288 HA LYS 37 HA LYS 37 2.276 -10.672 9.562 289 HB2 LYS 37 2HB LYS 37 3.551 -12.551 8.512 290 HB3 LYS 37 1HB LYS 37 4.527 -11.617 9.642 291 HG2 LYS 37 2HG LYS 37 4.135 -13.394 11.369 292 HG3 LYS 37 1HG LYS 37 3.296 -14.350 10.145 293 HD2 LYS 37 2HD LYS 37 6.203 -13.454 9.995 294 HD3 LYS 37 1HD LYS 37 5.657 -15.059 10.478 295 HE2 LYS 37 2HE LYS 37 5.181 -13.804 7.750 296 HE3 LYS 37 1HE LYS 37 6.428 -14.992 8.122 297 HZ1 LYS 37 3HZ LYS 37 4.508 -16.025 7.117 298 HZ2 LYS 37 1HZ LYS 37 3.501 -15.428 8.340 299 HZ3 LYS 37 2HZ LYS 37 4.690 -16.569 8.706 300 H GLU 38 HN GLU 38 0.339 -11.704 11.556 301 HA GLU 38 HA GLU 38 -0.645 -14.247 10.975 302 HB2 GLU 38 2HB GLU 38 -2.012 -11.852 12.252 303 HB3 GLU 38 1HB GLU 38 -2.694 -13.480 12.211 304 HG2 GLU 38 2HG GLU 38 -0.724 -14.325 13.464 305 HG3 GLU 38 1HG GLU 38 -0.085 -12.683 13.542 306 H GLU 39 HN GLU 39 -2.026 -15.027 9.571 307 HA GLU 39 HA GLU 39 -2.085 -13.969 7.055 308 HB2 GLU 39 2HB GLU 39 -3.708 -16.179 8.327 309 HB3 GLU 39 1HB GLU 39 -3.808 -15.823 6.611 310 HG2 GLU 39 2HG GLU 39 -1.241 -16.100 6.580 311 HG3 GLU 39 1HG GLU 39 -1.424 -16.845 8.168 312 H GLY 40 HN GLY 40 -3.489 -12.973 5.751 313 HA2 GLY 40 2HA GLY 40 -6.048 -12.144 5.860 314 HA3 GLY 40 1HA GLY 40 -5.268 -11.060 7.015 315 H LEU 41 HN LEU 41 -5.003 -9.124 5.972 316 HA LEU 41 HA LEU 41 -3.534 -9.101 3.402 317 HB2 LEU 41 2HB LEU 41 -5.975 -7.430 4.148 318 HB3 LEU 41 1HB LEU 41 -4.964 -7.114 2.740 319 HG LEU 41 HG LEU 41 -6.580 -9.667 3.167 320 HD11 LEU 41 1HD1 LEU 41 -7.993 -7.659 2.812 321 HD12 LEU 41 2HD1 LEU 41 -8.118 -8.855 1.531 322 HD13 LEU 41 3HD1 LEU 41 -7.170 -7.382 1.274 323 HD21 LEU 41 3HD2 LEU 41 -4.634 -10.073 1.805 324 HD22 LEU 41 1HD2 LEU 41 -5.001 -8.686 0.780 325 HD23 LEU 41 2HD2 LEU 41 -6.072 -10.096 0.790 326 H TYR 42 HN TYR 42 -2.656 -6.912 2.934 327 HA TYR 42 HA TYR 42 -2.591 -5.058 5.253 328 HB2 TYR 42 2HB TYR 42 -0.406 -4.395 4.861 329 HB3 TYR 42 1HB TYR 42 -0.253 -6.018 4.227 330 HD1 TYR 42 HD2 TYR 42 -0.510 -2.424 3.316 331 HD2 TYR 42 HD1 TYR 42 0.195 -6.364 1.829 332 HE1 TYR 42 HE2 TYR 42 0.292 -1.483 1.198 333 HE2 TYR 42 HE1 TYR 42 1.012 -5.404 -0.277 334 HH TYR 42 HH TYR 42 0.779 -3.370 -1.591 335 H VAL 43 HN VAL 43 -3.555 -3.119 4.826 336 HA VAL 43 HA VAL 43 -4.416 -2.489 2.076 337 HB VAL 43 HB VAL 43 -6.692 -1.956 2.805 338 HG11 VAL 43 1HG1 VAL 43 -6.312 -4.311 2.145 339 HG12 VAL 43 2HG1 VAL 43 -7.593 -4.181 3.352 340 HG13 VAL 43 3HG1 VAL 43 -5.987 -4.734 3.835 341 HG21 VAL 43 3HG2 VAL 43 -7.477 -2.401 5.139 342 HG22 VAL 43 1HG2 VAL 43 -6.258 -1.127 5.063 343 HG23 VAL 43 2HG2 VAL 43 -5.805 -2.746 5.613 344 H ASP 44 HN ASP 44 -5.248 -0.264 1.934 345 HA ASP 44 HA ASP 44 -3.778 1.706 3.456 346 HB2 ASP 44 2HB ASP 44 -5.058 3.342 2.007 347 HB3 ASP 44 1HB ASP 44 -4.151 2.139 1.095 348 H ILE 45 HN ILE 45 -4.493 2.664 5.237 349 HA ILE 45 HA ILE 45 -6.889 2.130 6.573 350 HB ILE 45 HB ILE 45 -5.309 4.694 7.018 351 HG12 ILE 45 2HG1 ILE 45 -4.639 1.943 8.161 352 HG13 ILE 45 1HG1 ILE 45 -3.758 2.707 6.848 353 HG21 ILE 45 1HG2 ILE 45 -5.993 4.412 9.380 354 HG22 ILE 45 2HG2 ILE 45 -6.854 2.924 8.976 355 HG23 ILE 45 3HG2 ILE 45 -7.408 4.471 8.329 356 HD11 ILE 45 3HD1 ILE 45 -2.574 2.917 8.914 357 HD12 ILE 45 1HD1 ILE 45 -3.956 3.699 9.677 358 HD13 ILE 45 2HD1 ILE 45 -3.097 4.510 8.364 359 H VAL 46 HN VAL 46 -6.253 4.493 4.089 360 HA VAL 46 HA VAL 46 -8.181 6.457 4.729 361 HB VAL 46 HB VAL 46 -7.821 7.344 2.438 362 HG11 VAL 46 1HG1 VAL 46 -5.434 7.858 2.720 363 HG12 VAL 46 2HG1 VAL 46 -5.275 6.535 3.877 364 HG13 VAL 46 3HG1 VAL 46 -6.291 7.925 4.259 365 HG21 VAL 46 3HG2 VAL 46 -7.612 5.245 1.168 366 HG22 VAL 46 1HG2 VAL 46 -6.103 4.864 2.006 367 HG23 VAL 46 2HG2 VAL 46 -6.186 6.257 0.919 368 H SER 47 HN SER 47 -8.620 3.456 2.951 369 HA SER 47 HA SER 47 -11.477 3.955 2.941 370 HB2 SER 47 2HB SER 47 -11.709 3.351 0.467 371 HB3 SER 47 1HB SER 47 -11.067 4.949 0.822 372 HG SER 47 HG SER 47 -8.931 3.631 0.647 373 H GLY 48 HN GLY 48 -8.787 1.746 2.764 374 HA2 GLY 48 2HA GLY 48 -8.740 -0.375 3.680 375 HA3 GLY 48 1HA GLY 48 -10.493 -0.372 3.798 376 H LYS 49 HN LYS 49 -8.279 0.053 1.033 377 HA LYS 49 HA LYS 49 -9.769 -1.993 -0.486 378 HB2 LYS 49 2HB LYS 49 -7.933 0.274 -1.242 379 HB3 LYS 49 1HB LYS 49 -8.020 -1.099 -2.329 380 HG2 LYS 49 2HG LYS 49 -9.481 0.688 -3.065 381 HG3 LYS 49 1HG LYS 49 -10.415 -0.744 -2.657 382 HD2 LYS 49 2HD LYS 49 -10.119 1.346 -0.520 383 HD3 LYS 49 1HD LYS 49 -11.119 1.767 -1.907 384 HE2 LYS 49 2HE LYS 49 -11.527 -0.641 -0.095 385 HE3 LYS 49 1HE LYS 49 -12.482 0.842 -0.077 386 HZ1 LYS 49 3HZ LYS 49 -13.079 0.326 -2.428 387 HZ2 LYS 49 1HZ LYS 49 -13.672 -0.782 -1.293 388 HZ3 LYS 49 2HZ LYS 49 -12.330 -1.178 -2.241 389 HA PRO 50 HA PRO 50 -6.499 -4.979 0.373 390 HB2 PRO 50 2HB PRO 50 -7.019 -6.778 -1.657 391 HB3 PRO 50 1HB PRO 50 -7.980 -6.684 -0.177 392 HG2 PRO 50 2HG PRO 50 -8.557 -5.511 -2.889 393 HG3 PRO 50 1HG PRO 50 -9.661 -6.348 -1.775 394 HD2 PRO 50 2HD PRO 50 -9.606 -3.641 -1.984 395 HD3 PRO 50 1HD PRO 50 -9.955 -4.452 -0.441 396 H LEU 51 HN LEU 51 -4.429 -4.482 -0.061 397 HA LEU 51 HA LEU 51 -3.648 -3.588 -2.764 398 HB2 LEU 51 2HB LEU 51 -2.255 -3.084 -0.114 399 HB3 LEU 51 1HB LEU 51 -1.760 -2.442 -1.676 400 HG LEU 51 HG LEU 51 -4.322 -1.751 -0.182 401 HD11 LEU 51 1HD1 LEU 51 -2.345 -0.746 0.814 402 HD12 LEU 51 2HD1 LEU 51 -3.370 0.474 0.066 403 HD13 LEU 51 3HD1 LEU 51 -1.888 -0.045 -0.742 404 HD21 LEU 51 3HD2 LEU 51 -3.375 -0.683 -2.871 405 HD22 LEU 51 1HD2 LEU 51 -4.783 -0.115 -1.965 406 HD23 LEU 51 2HD2 LEU 51 -4.753 -1.756 -2.611 407 H PHE 52 HN PHE 52 -2.845 -5.896 -0.237 408 HA PHE 52 HA PHE 52 -2.144 -7.872 -2.118 409 HB2 PHE 52 2HB PHE 52 0.022 -6.513 -2.187 410 HB3 PHE 52 1HB PHE 52 0.299 -6.988 -0.518 411 HD1 PHE 52 HD1 PHE 52 -0.715 -8.781 -3.681 412 HD2 PHE 52 HD2 PHE 52 1.978 -8.595 -0.358 413 HE1 PHE 52 HE1 PHE 52 0.463 -10.767 -4.512 414 HE2 PHE 52 HE2 PHE 52 3.142 -10.578 -1.199 415 HZ PHE 52 HZ PHE 52 2.393 -11.664 -3.274 416 H THR 53 HN THR 53 -1.361 -9.945 -1.009 417 HA THR 53 HA THR 53 -3.002 -10.277 1.381 418 HB THR 53 HB THR 53 -2.694 -12.739 0.906 419 HG1 THR 53 HG1 THR 53 -0.621 -12.384 -0.261 420 HG21 THR 53 3HG2 THR 53 -4.646 -11.587 -0.049 421 HG22 THR 53 1HG2 THR 53 -4.041 -12.799 -1.178 422 HG23 THR 53 2HG2 THR 53 -3.697 -11.091 -1.452 423 H SER 54 HN SER 54 -2.289 -11.099 3.276 424 HA SER 54 HA SER 54 0.411 -10.694 4.056 425 HB2 SER 54 2HB SER 54 -1.513 -10.315 5.604 426 HB3 SER 54 1HB SER 54 -1.817 -12.055 5.645 427 HG SER 54 HG SER 54 0.333 -12.288 6.515 428 H LYS 55 HN LYS 55 -1.272 -13.447 2.790 429 HA LYS 55 HA LYS 55 0.012 -15.645 3.868 430 HB2 LYS 55 2HB LYS 55 -1.923 -15.687 2.284 431 HB3 LYS 55 1HB LYS 55 -0.835 -15.305 0.958 432 HG2 LYS 55 2HG LYS 55 0.318 -17.436 1.244 433 HG3 LYS 55 1HG LYS 55 -0.653 -17.808 2.672 434 HD2 LYS 55 2HD LYS 55 -1.791 -17.419 -0.125 435 HD3 LYS 55 1HD LYS 55 -1.393 -18.986 0.575 436 HE2 LYS 55 2HE LYS 55 -3.434 -17.045 1.719 437 HE3 LYS 55 1HE LYS 55 -3.822 -18.447 0.724 438 HZ1 LYS 55 3HZ LYS 55 -2.598 -18.457 3.427 439 HZ2 LYS 55 1HZ LYS 55 -2.732 -19.832 2.453 440 HZ3 LYS 55 2HZ LYS 55 -4.127 -19.031 2.988 441 H ASP 56 HN ASP 56 1.245 -13.370 1.506 442 HA ASP 56 HA ASP 56 3.939 -14.478 1.680 443 HB2 ASP 56 2HB ASP 56 4.219 -14.736 -0.754 444 HB3 ASP 56 1HB ASP 56 2.903 -15.759 -0.199 445 H LYS 57 HN LYS 57 2.759 -12.069 2.641 446 HA LYS 57 HA LYS 57 3.627 -9.899 0.864 447 HB2 LYS 57 2HB LYS 57 2.650 -8.361 2.287 448 HB3 LYS 57 1HB LYS 57 1.694 -9.768 2.696 449 HG2 LYS 57 2HG LYS 57 4.020 -8.685 4.328 450 HG3 LYS 57 1HG LYS 57 2.313 -8.399 4.663 451 HD2 LYS 57 2HD LYS 57 2.067 -10.925 4.908 452 HD3 LYS 57 1HD LYS 57 3.826 -11.029 4.845 453 HE2 LYS 57 2HE LYS 57 2.190 -9.512 6.909 454 HE3 LYS 57 1HE LYS 57 3.031 -11.041 7.161 455 HZ1 LYS 57 3HZ LYS 57 5.131 -9.929 6.800 456 HZ2 LYS 57 1HZ LYS 57 4.275 -9.151 8.028 457 HZ3 LYS 57 2HZ LYS 57 4.347 -8.462 6.488 458 H PHE 58 HN PHE 58 5.384 -8.362 1.508 459 HA PHE 58 HA PHE 58 7.539 -9.758 3.000 460 HB2 PHE 58 2HB PHE 58 7.834 -9.541 0.453 461 HB3 PHE 58 1HB PHE 58 7.981 -7.805 0.693 462 HD1 PHE 58 HD2 PHE 58 9.492 -11.090 1.668 463 HD2 PHE 58 HD1 PHE 58 10.117 -6.875 1.288 464 HE1 PHE 58 HE2 PHE 58 11.883 -11.390 2.152 465 HE2 PHE 58 HE1 PHE 58 12.499 -7.193 1.756 466 HZ PHE 58 HZ PHE 58 13.392 -9.443 2.194 467 H ASP 59 HN ASP 59 8.376 -8.713 4.660 468 HA ASP 59 HA ASP 59 7.841 -5.849 5.150 469 HB2 ASP 59 2HB ASP 59 8.616 -6.334 7.492 470 HB3 ASP 59 1HB ASP 59 7.232 -7.315 7.026 471 H SER 60 HN SER 60 9.686 -4.480 5.759 472 HA SER 60 HA SER 60 12.328 -5.449 4.881 473 HB2 SER 60 2HB SER 60 10.949 -3.013 3.671 474 HB3 SER 60 1HB SER 60 12.610 -3.521 3.348 475 HG SER 60 HG SER 60 11.287 -5.649 2.863 476 H GLN 61 HN GLN 61 13.972 -4.626 5.950 477 HA GLN 61 HA GLN 61 13.722 -2.680 8.068 478 HB2 GLN 61 2HB GLN 61 15.243 -4.672 8.198 479 HB3 GLN 61 1HB GLN 61 16.212 -4.009 6.888 480 HG2 GLN 61 2HG GLN 61 16.690 -2.022 8.384 481 HG3 GLN 61 1HG GLN 61 15.885 -2.889 9.691 482 HE21 GLN 61 1HE2 GLN 61 18.660 -1.983 9.503 483 HE22 GLN 61 2HE2 GLN 61 19.642 -3.395 9.675 484 H CYS 62 HN CYS 62 13.990 -2.421 4.743 485 HA CYS 62 HA CYS 62 15.695 -0.147 4.398 486 HB2 CYS 62 2HB CYS 62 15.189 -1.839 2.622 487 HB3 CYS 62 1HB CYS 62 13.525 -1.273 2.568 488 HG CYS 62 HG CYS 62 14.400 1.376 1.769 489 H GLY 63 HN GLY 63 13.459 0.172 6.426 490 HA2 GLY 63 2HA GLY 63 12.396 2.045 7.245 491 HA3 GLY 63 1HA GLY 63 12.608 2.841 5.693 492 H TRP 64 HN TRP 64 11.338 1.747 3.899 493 HA TRP 64 HA TRP 64 8.519 1.536 4.688 494 HB2 TRP 64 2HB TRP 64 9.795 1.899 1.928 495 HB3 TRP 64 1HB TRP 64 8.075 2.020 2.301 496 HD1 TRP 64 HD1 TRP 64 7.242 4.260 3.560 497 HE1 TRP 64 HE1 TRP 64 8.321 6.553 3.898 498 HE3 TRP 64 HE3 TRP 64 12.049 3.119 2.261 499 HZ2 TRP 64 HZ2 TRP 64 10.850 7.747 3.675 500 HZ3 TRP 64 HZ3 TRP 64 13.745 4.904 2.350 501 HH2 TRP 64 HH2 TRP 64 13.156 7.176 3.042 502 HA PRO 65 HA PRO 65 8.709 -2.965 4.017 503 HB2 PRO 65 2HB PRO 65 5.968 -3.381 3.698 504 HB3 PRO 65 1HB PRO 65 6.785 -3.280 5.263 505 HG2 PRO 65 2HG PRO 65 5.295 -1.137 3.758 506 HG3 PRO 65 1HG PRO 65 5.231 -1.529 5.491 507 HD2 PRO 65 2HD PRO 65 6.677 0.557 4.602 508 HD3 PRO 65 1HD PRO 65 7.279 -0.454 5.937 509 H SER 66 HN SER 66 9.404 -3.678 2.171 510 HA SER 66 HA SER 66 8.540 -2.520 -0.377 511 HB2 SER 66 2HB SER 66 10.998 -4.171 0.363 512 HB3 SER 66 1HB SER 66 10.688 -3.440 -1.211 513 HG SER 66 HG SER 66 10.695 -1.839 1.116 514 H PHE 67 HN PHE 67 6.831 -3.659 -1.102 515 HA PHE 67 HA PHE 67 6.652 -6.550 -0.798 516 HB2 PHE 67 2HB PHE 67 4.728 -4.553 -2.077 517 HB3 PHE 67 1HB PHE 67 4.383 -6.259 -1.776 518 HD1 PHE 67 HD2 PHE 67 4.242 -7.116 0.581 519 HD2 PHE 67 HD1 PHE 67 4.591 -2.938 -0.266 520 HE1 PHE 67 HE2 PHE 67 3.564 -6.584 2.884 521 HE2 PHE 67 HE1 PHE 67 3.923 -2.414 2.043 522 HZ PHE 67 HZ PHE 67 3.406 -4.238 3.618 523 H THR 68 HN THR 68 6.880 -8.009 -2.377 524 HA THR 68 HA THR 68 8.388 -7.414 -4.733 525 HB THR 68 HB THR 68 6.990 -10.028 -3.962 526 HG1 THR 68 HG1 THR 68 9.280 -8.751 -2.966 527 HG21 THR 68 3HG2 THR 68 8.828 -11.113 -5.223 528 HG22 THR 68 1HG2 THR 68 9.488 -9.531 -5.646 529 HG23 THR 68 2HG2 THR 68 7.915 -10.030 -6.272 530 H LYS 69 HN LYS 69 5.031 -7.707 -3.960 531 HA LYS 69 HA LYS 69 4.138 -7.302 -6.695 532 HB2 LYS 69 2HB LYS 69 4.418 -9.886 -6.121 533 HB3 LYS 69 1HB LYS 69 2.975 -9.657 -5.156 534 HG2 LYS 69 2HG LYS 69 2.065 -10.462 -7.109 535 HG3 LYS 69 1HG LYS 69 1.946 -8.728 -7.406 536 HD2 LYS 69 2HD LYS 69 4.291 -10.404 -8.399 537 HD3 LYS 69 1HD LYS 69 2.813 -10.211 -9.335 538 HE2 LYS 69 2HE LYS 69 4.588 -7.908 -8.445 539 HE3 LYS 69 1HE LYS 69 4.647 -8.669 -10.036 540 HZ1 LYS 69 3HZ LYS 69 3.297 -6.633 -9.975 541 HZ2 LYS 69 1HZ LYS 69 2.221 -7.379 -8.903 542 HZ3 LYS 69 2HZ LYS 69 2.417 -7.988 -10.466 543 HA PRO 70 HA PRO 70 0.696 -5.534 -4.142 544 HB2 PRO 70 2HB PRO 70 -0.153 -3.688 -5.820 545 HB3 PRO 70 1HB PRO 70 1.499 -3.528 -5.190 546 HG2 PRO 70 2HG PRO 70 0.586 -4.598 -7.867 547 HG3 PRO 70 1HG PRO 70 1.917 -3.477 -7.506 548 HD2 PRO 70 2HD PRO 70 2.188 -6.274 -7.826 549 HD3 PRO 70 1HD PRO 70 3.386 -5.211 -7.060 550 H ILE 71 HN ILE 71 -1.695 -5.008 -5.004 551 HA ILE 71 HA ILE 71 -2.690 -7.244 -6.675 552 HB ILE 71 HB ILE 71 -4.115 -5.419 -4.690 553 HG12 ILE 71 2HG1 ILE 71 -3.911 -8.461 -4.870 554 HG13 ILE 71 1HG1 ILE 71 -2.933 -7.449 -3.814 555 HG21 ILE 71 1HG2 ILE 71 -6.265 -6.493 -5.316 556 HG22 ILE 71 2HG2 ILE 71 -5.467 -7.301 -6.666 557 HG23 ILE 71 3HG2 ILE 71 -5.598 -5.539 -6.644 558 HD11 ILE 71 3HD1 ILE 71 -4.942 -6.780 -2.597 559 HD12 ILE 71 1HD1 ILE 71 -4.723 -8.531 -2.603 560 HD13 ILE 71 2HD1 ILE 71 -5.922 -7.793 -3.662 561 H GLU 72 HN GLU 72 -3.037 -6.774 -8.748 562 HA GLU 72 HA GLU 72 -2.358 -4.120 -9.722 563 HB2 GLU 72 2HB GLU 72 -3.017 -6.690 -11.238 564 HB3 GLU 72 1HB GLU 72 -2.655 -5.165 -12.032 565 HG2 GLU 72 2HG GLU 72 -0.661 -6.434 -12.109 566 HG3 GLU 72 1HG GLU 72 -0.409 -5.183 -10.894 567 H GLU 73 HN GLU 73 -5.266 -5.663 -8.896 568 HA GLU 73 HA GLU 73 -7.012 -4.533 -10.859 569 HB2 GLU 73 2HB GLU 73 -7.630 -6.509 -9.507 570 HB3 GLU 73 1HB GLU 73 -7.658 -5.523 -8.050 571 HG2 GLU 73 2HG GLU 73 -9.527 -4.204 -8.986 572 HG3 GLU 73 1HG GLU 73 -9.497 -5.190 -10.446 573 H GLU 74 HN GLU 74 -6.056 -3.510 -7.535 574 HA GLU 74 HA GLU 74 -7.652 -1.049 -7.824 575 HB2 GLU 74 2HB GLU 74 -7.837 -2.304 -5.700 576 HB3 GLU 74 1HB GLU 74 -6.104 -2.157 -5.437 577 HG2 GLU 74 2HG GLU 74 -7.367 -0.575 -4.039 578 HG3 GLU 74 1HG GLU 74 -6.313 0.263 -5.173 579 H VAL 75 HN VAL 75 -4.311 -2.220 -7.786 580 HA VAL 75 HA VAL 75 -3.184 0.430 -7.259 581 HB VAL 75 HB VAL 75 -1.925 -2.346 -7.524 582 HG11 VAL 75 1HG1 VAL 75 -0.318 -0.714 -8.396 583 HG12 VAL 75 2HG1 VAL 75 0.224 -1.318 -6.831 584 HG13 VAL 75 3HG1 VAL 75 -0.511 0.280 -6.948 585 HG21 VAL 75 3HG2 VAL 75 -1.424 -2.113 -5.115 586 HG22 VAL 75 1HG2 VAL 75 -3.162 -1.988 -5.415 587 HG23 VAL 75 2HG2 VAL 75 -2.210 -0.531 -5.100 588 H GLU 76 HN GLU 76 -2.298 1.668 -8.867 589 HA GLU 76 HA GLU 76 -2.311 0.555 -11.635 590 HB2 GLU 76 2HB GLU 76 -3.016 3.418 -10.844 591 HB3 GLU 76 1HB GLU 76 -2.970 2.783 -12.482 592 HG2 GLU 76 2HG GLU 76 -4.827 1.246 -11.928 593 HG3 GLU 76 1HG GLU 76 -4.884 1.901 -10.295 594 H GLU 77 HN GLU 77 -0.427 0.645 -12.608 595 HA GLU 77 HA GLU 77 1.871 1.743 -11.193 596 HB2 GLU 77 2HB GLU 77 1.729 -0.628 -12.080 597 HB3 GLU 77 1HB GLU 77 1.774 0.021 -13.714 598 HG2 GLU 77 2HG GLU 77 3.997 0.922 -13.328 599 HG3 GLU 77 1HG GLU 77 3.944 0.429 -11.638 600 H LYS 78 HN LYS 78 2.899 3.594 -11.860 601 HA LYS 78 HA LYS 78 1.938 4.967 -14.291 602 HB2 LYS 78 2HB LYS 78 0.554 5.596 -12.308 603 HB3 LYS 78 1HB LYS 78 1.993 6.114 -11.450 604 HG2 LYS 78 2HG LYS 78 1.365 7.435 -14.082 605 HG3 LYS 78 1HG LYS 78 0.355 7.830 -12.689 606 HD2 LYS 78 2HD LYS 78 2.542 8.355 -11.437 607 HD3 LYS 78 1HD LYS 78 3.350 8.279 -13.006 608 HE2 LYS 78 2HE LYS 78 1.943 10.106 -13.834 609 HE3 LYS 78 1HE LYS 78 1.039 10.133 -12.319 610 HZ1 LYS 78 3HZ LYS 78 3.194 10.681 -11.209 611 HZ2 LYS 78 1HZ LYS 78 2.598 11.875 -12.256 612 HZ3 LYS 78 2HZ LYS 78 3.871 10.880 -12.751 613 H LEU 79 HN LEU 79 3.760 5.186 -15.423 614 HA LEU 79 HA LEU 79 6.377 5.220 -14.295 615 HB2 LEU 79 2HB LEU 79 5.765 4.206 -16.515 616 HB3 LEU 79 1HB LEU 79 5.512 5.823 -17.152 617 HG LEU 79 HG LEU 79 7.946 6.328 -16.706 618 HD11 LEU 79 1HD1 LEU 79 8.139 3.371 -16.050 619 HD12 LEU 79 2HD1 LEU 79 8.380 4.713 -14.924 620 HD13 LEU 79 3HD1 LEU 79 9.503 4.478 -16.259 621 HD21 LEU 79 3HD2 LEU 79 7.458 3.956 -18.527 622 HD22 LEU 79 1HD2 LEU 79 8.824 5.075 -18.610 623 HD23 LEU 79 2HD2 LEU 79 7.190 5.650 -18.943 624 H ASP 80 HN ASP 80 7.876 6.871 -14.311 625 HA ASP 80 HA ASP 80 7.108 9.655 -14.834 626 HB2 ASP 80 2HB ASP 80 6.547 9.126 -12.426 627 HB3 ASP 80 1HB ASP 80 8.231 8.700 -12.146 628 H THR 81 HN THR 81 8.965 11.058 -14.970 629 HA THR 81 HA THR 81 11.662 9.979 -14.836 630 HB THR 81 HB THR 81 10.949 9.260 -17.091 631 HG1 THR 81 HG1 THR 81 13.143 10.034 -16.675 632 HG21 THR 81 3HG2 THR 81 10.475 10.873 -18.889 633 HG22 THR 81 1HG2 THR 81 10.535 12.200 -17.729 634 HG23 THR 81 2HG2 THR 81 9.261 10.983 -17.612 635 H SER 82 HN SER 82 9.819 12.168 -13.761 636 HA SER 82 HA SER 82 10.611 14.710 -14.751 637 HB2 SER 82 2HB SER 82 9.348 13.963 -12.070 638 HB3 SER 82 1HB SER 82 9.419 15.590 -12.757 639 HG SER 82 HG SER 82 7.962 13.348 -13.649 640 H HIS 83 HN HIS 83 11.793 12.675 -12.087 641 HA HIS 83 HA HIS 83 13.403 14.832 -10.919 642 HB2 HIS 83 2HB HIS 83 11.950 13.163 -9.575 643 HB3 HIS 83 1HB HIS 83 13.195 11.963 -9.898 644 HD1 HIS 83 HD1 HIS 83 15.409 12.200 -8.613 645 HD2 HIS 83 HD2 HIS 83 12.666 15.193 -7.762 646 HE1 HIS 83 HE1 HIS 83 16.304 13.364 -6.580 647 HE2 HIS 83 HE2 HIS 83 14.738 15.304 -6.214 648 H GLY 84 HN GLY 84 14.229 13.900 -13.536 649 HA2 GLY 84 2HA GLY 84 16.211 13.608 -14.654 650 HA3 GLY 84 1HA GLY 84 17.037 13.719 -13.108 651 H MET 85 HN MET 85 14.743 11.265 -13.060 652 HA MET 85 HA MET 85 16.544 9.125 -13.988 653 HB2 MET 85 2HB MET 85 15.249 9.329 -11.226 654 HB3 MET 85 1HB MET 85 15.767 7.794 -11.905 655 HG2 MET 85 2HG MET 85 18.086 8.634 -12.009 656 HG3 MET 85 1HG MET 85 17.554 10.149 -11.280 657 HE1 MET 85 3HE MET 85 16.142 6.568 -10.285 658 HE2 MET 85 1HE MET 85 17.291 6.094 -9.034 659 HE3 MET 85 2HE MET 85 17.821 6.225 -10.713 660 H ILE 86 HN ILE 86 15.415 7.530 -15.073 661 HA ILE 86 HA ILE 86 12.549 7.663 -15.308 662 HB ILE 86 HB ILE 86 13.950 6.905 -17.234 663 HG12 ILE 86 2HG1 ILE 86 12.515 4.925 -17.897 664 HG13 ILE 86 1HG1 ILE 86 11.907 4.866 -16.244 665 HG21 ILE 86 1HG2 ILE 86 14.501 4.384 -15.641 666 HG22 ILE 86 2HG2 ILE 86 15.679 5.618 -16.083 667 HG23 ILE 86 3HG2 ILE 86 14.917 4.644 -17.342 668 HD11 ILE 86 3HD1 ILE 86 10.364 5.971 -17.753 669 HD12 ILE 86 1HD1 ILE 86 11.585 7.177 -18.151 670 HD13 ILE 86 2HD1 ILE 86 10.937 7.081 -16.510 671 H ARG 87 HN ARG 87 11.160 6.769 -13.934 672 HA ARG 87 HA ARG 87 11.720 4.480 -12.284 673 HB2 ARG 87 2HB ARG 87 11.637 7.266 -11.075 674 HB3 ARG 87 1HB ARG 87 10.961 5.921 -10.167 675 HG2 ARG 87 2HG ARG 87 13.250 4.779 -10.448 676 HG3 ARG 87 1HG ARG 87 13.843 6.357 -10.982 677 HD2 ARG 87 2HD ARG 87 14.261 5.993 -8.578 678 HD3 ARG 87 1HD ARG 87 13.163 7.356 -8.830 679 HE ARG 87 HE ARG 87 11.920 4.756 -8.329 680 HH11 ARG 87 1HH1 ARG 87 12.902 7.818 -6.942 681 HH12 ARG 87 2HH1 ARG 87 11.902 7.642 -5.536 682 HH21 ARG 87 1HH2 ARG 87 10.606 4.526 -6.492 683 HH22 ARG 87 2HH2 ARG 87 10.620 5.751 -5.261 684 H THR 88 HN THR 88 9.750 4.163 -10.796 685 HA THR 88 HA THR 88 7.307 4.996 -12.238 686 HB THR 88 HB THR 88 7.801 2.132 -11.305 687 HG1 THR 88 HG1 THR 88 7.910 2.007 -13.838 688 HG21 THR 88 3HG2 THR 88 5.789 3.306 -13.262 689 HG22 THR 88 1HG2 THR 88 5.427 2.777 -11.616 690 HG23 THR 88 2HG2 THR 88 5.942 1.603 -12.830 691 H GLU 89 HN GLU 89 5.550 5.332 -10.908 692 HA GLU 89 HA GLU 89 5.807 4.608 -8.033 693 HB2 GLU 89 2HB GLU 89 4.531 6.559 -7.430 694 HB3 GLU 89 1HB GLU 89 5.875 7.074 -8.437 695 HG2 GLU 89 2HG GLU 89 4.367 7.309 -10.361 696 HG3 GLU 89 1HG GLU 89 3.007 6.767 -9.376 697 H VAL 90 HN VAL 90 3.632 4.403 -6.975 698 HA VAL 90 HA VAL 90 1.608 3.246 -8.799 699 HB VAL 90 HB VAL 90 0.930 1.706 -6.917 700 HG11 VAL 90 1HG1 VAL 90 3.755 1.375 -7.991 701 HG12 VAL 90 2HG1 VAL 90 2.251 0.896 -8.808 702 HG13 VAL 90 3HG1 VAL 90 2.754 0.078 -7.323 703 HG21 VAL 90 3HG2 VAL 90 1.951 2.864 -5.000 704 HG22 VAL 90 1HG2 VAL 90 3.573 2.557 -5.635 705 HG23 VAL 90 2HG2 VAL 90 2.553 1.211 -5.106 706 H ARG 91 HN ARG 91 -0.311 4.034 -8.685 707 HA ARG 91 HA ARG 91 -1.350 5.404 -6.351 708 HB2 ARG 91 2HB ARG 91 -2.125 7.357 -7.790 709 HB3 ARG 91 1HB ARG 91 -0.399 7.307 -7.464 710 HG2 ARG 91 2HG ARG 91 0.017 6.415 -9.731 711 HG3 ARG 91 1HG ARG 91 -1.719 6.440 -10.058 712 HD2 ARG 91 2HD ARG 91 -0.562 8.395 -11.039 713 HD3 ARG 91 1HD ARG 91 -1.762 8.878 -9.835 714 HE ARG 91 HE ARG 91 0.925 8.602 -8.780 715 HH11 ARG 91 1HH1 ARG 91 -1.292 10.840 -10.352 716 HH12 ARG 91 2HH1 ARG 91 -0.472 12.240 -9.746 717 HH21 ARG 91 1HH2 ARG 91 1.975 10.453 -8.009 718 HH22 ARG 91 2HH2 ARG 91 1.369 12.028 -8.420 719 H SER 92 HN SER 92 -3.311 4.601 -6.011 720 HA SER 92 HA SER 92 -4.490 2.791 -8.001 721 HB2 SER 92 2HB SER 92 -6.058 2.283 -6.004 722 HB3 SER 92 1HB SER 92 -4.354 1.884 -5.814 723 HG SER 92 HG SER 92 -4.976 2.930 -3.998 724 H ARG 93 HN ARG 93 -7.133 2.812 -7.686 725 HA ARG 93 HA ARG 93 -8.041 5.228 -8.949 726 HB2 ARG 93 2HB ARG 93 -9.689 2.901 -7.838 727 HB3 ARG 93 1HB ARG 93 -10.308 4.183 -8.877 728 HG2 ARG 93 2HG ARG 93 -8.629 3.427 -10.631 729 HG3 ARG 93 1HG ARG 93 -8.300 2.029 -9.604 730 HD2 ARG 93 2HD ARG 93 -9.912 1.442 -11.349 731 HD3 ARG 93 1HD ARG 93 -10.688 1.369 -9.764 732 HE ARG 93 HE ARG 93 -10.969 3.690 -11.583 733 HH11 ARG 93 1HH1 ARG 93 -12.480 1.380 -9.421 734 HH12 ARG 93 2HH1 ARG 93 -14.061 2.061 -9.611 735 HH21 ARG 93 1HH2 ARG 93 -13.048 4.556 -11.847 736 HH22 ARG 93 2HH2 ARG 93 -14.386 3.855 -10.990 737 H THR 94 HN THR 94 -9.036 3.744 -5.818 738 HA THR 94 HA THR 94 -10.312 6.209 -4.936 739 HB THR 94 HB THR 94 -10.015 3.554 -3.464 740 HG1 THR 94 HG1 THR 94 -12.111 3.164 -4.283 741 HG21 THR 94 3HG2 THR 94 -11.962 4.318 -2.141 742 HG22 THR 94 1HG2 THR 94 -11.953 5.861 -2.996 743 HG23 THR 94 2HG2 THR 94 -10.602 5.425 -1.943 744 H ALA 95 HN ALA 95 -7.634 4.155 -3.859 745 HA ALA 95 HA ALA 95 -6.965 5.850 -1.582 746 HB1 ALA 95 3HB ALA 95 -7.029 3.394 -1.345 747 HB2 ALA 95 1HB ALA 95 -5.414 4.023 -1.012 748 HB3 ALA 95 2HB ALA 95 -5.755 3.236 -2.555 749 H ASP 96 HN ASP 96 -6.413 6.860 -4.404 750 HA ASP 96 HA ASP 96 -4.323 5.868 -5.745 751 HB2 ASP 96 2HB ASP 96 -4.204 8.018 -6.994 752 HB3 ASP 96 1HB ASP 96 -5.849 7.452 -6.748 753 H SER 97 HN SER 97 -3.886 8.790 -3.807 754 HA SER 97 HA SER 97 -1.139 9.079 -4.457 755 HB2 SER 97 2HB SER 97 -1.188 10.945 -2.774 756 HB3 SER 97 1HB SER 97 -2.499 11.037 -3.948 757 HG SER 97 HG SER 97 -3.780 11.060 -2.295 758 H HIS 98 HN HIS 98 -2.848 7.419 -1.947 759 HA HIS 98 HA HIS 98 -0.846 7.781 0.127 760 HB2 HIS 98 2HB HIS 98 -3.449 6.178 0.097 761 HB3 HIS 98 1HB HIS 98 -2.487 6.557 1.531 762 HD1 HIS 98 HD1 HIS 98 -5.426 7.682 -0.065 763 HD2 HIS 98 HD2 HIS 98 -2.157 9.618 1.604 764 HE1 HIS 98 HE1 HIS 98 -6.222 10.004 0.475 765 HE2 HIS 98 HE2 HIS 98 -4.164 11.202 1.283 766 H LEU 99 HN LEU 99 -1.199 5.524 -2.419 767 HA LEU 99 HA LEU 99 -0.166 3.200 -1.176 768 HB2 LEU 99 2HB LEU 99 0.317 4.037 -4.056 769 HB3 LEU 99 1HB LEU 99 0.474 2.416 -3.396 770 HG LEU 99 HG LEU 99 -2.078 3.976 -3.931 771 HD11 LEU 99 1HD1 LEU 99 -1.104 2.826 -5.851 772 HD12 LEU 99 2HD1 LEU 99 -2.607 2.057 -5.363 773 HD13 LEU 99 3HD1 LEU 99 -1.069 1.300 -4.957 774 HD21 LEU 99 3HD2 LEU 99 -2.403 2.921 -1.760 775 HD22 LEU 99 1HD2 LEU 99 -1.847 1.367 -2.394 776 HD23 LEU 99 2HD2 LEU 99 -3.348 2.082 -2.988 777 H GLY 100 HN GLY 100 1.773 5.210 -3.475 778 HA2 GLY 100 2HA GLY 100 3.884 6.124 -2.192 779 HA3 GLY 100 1HA GLY 100 4.195 4.398 -2.012 780 H HIS 101 HN HIS 101 6.103 4.643 -3.194 781 HA HIS 101 HA HIS 101 5.825 4.927 -6.128 782 HB2 HIS 101 2HB HIS 101 8.014 6.063 -4.323 783 HB3 HIS 101 1HB HIS 101 8.306 5.746 -6.029 784 HD1 HIS 101 HD1 HIS 101 8.618 8.116 -6.773 785 HD2 HIS 101 HD2 HIS 101 5.024 7.564 -4.759 786 HE1 HIS 101 HE1 HIS 101 7.338 10.251 -7.080 787 HE2 HIS 101 HE2 HIS 101 5.073 9.781 -6.095 788 H VAL 102 HN VAL 102 7.707 3.737 -7.232 789 HA VAL 102 HA VAL 102 8.587 1.412 -5.633 790 HB VAL 102 HB VAL 102 8.141 -0.167 -7.383 791 HG11 VAL 102 1HG1 VAL 102 5.682 -0.066 -7.588 792 HG12 VAL 102 2HG1 VAL 102 5.701 1.628 -7.087 793 HG13 VAL 102 3HG1 VAL 102 6.210 0.368 -5.963 794 HG21 VAL 102 3HG2 VAL 102 8.674 1.191 -9.359 795 HG22 VAL 102 1HG2 VAL 102 7.184 2.110 -9.139 796 HG23 VAL 102 2HG2 VAL 102 7.110 0.394 -9.546 797 H PHE 103 HN PHE 103 10.615 0.677 -6.052 798 HA PHE 103 HA PHE 103 12.375 2.556 -7.422 799 HB2 PHE 103 2HB PHE 103 12.535 1.620 -4.903 800 HB3 PHE 103 1HB PHE 103 13.394 0.299 -5.682 801 HD1 PHE 103 HD2 PHE 103 13.349 4.058 -5.907 802 HD2 PHE 103 HD1 PHE 103 15.736 0.522 -5.594 803 HE1 PHE 103 HE2 PHE 103 15.384 5.432 -5.855 804 HE2 PHE 103 HE1 PHE 103 17.764 1.911 -5.537 805 HZ PHE 103 HZ PHE 103 17.593 4.362 -5.664 806 H ASN 104 HN ASN 104 13.463 2.038 -9.218 807 HA ASN 104 HA ASN 104 12.807 -0.429 -10.619 808 HB2 ASN 104 2HB ASN 104 14.351 2.030 -11.575 809 HB3 ASN 104 1HB ASN 104 13.830 0.692 -12.594 810 HD21 ASN 104 1HD2 ASN 104 12.559 1.997 -13.926 811 HD22 ASN 104 2HD2 ASN 104 11.078 2.721 -13.405 812 H ASP 105 HN ASP 105 14.969 0.017 -8.382 813 HA ASP 105 HA ASP 105 17.146 -1.590 -9.629 814 HB2 ASP 105 2HB ASP 105 17.925 0.537 -8.679 815 HB3 ASP 105 1HB ASP 105 17.124 0.203 -7.156 816 H GLY 106 HN GLY 106 14.343 -2.072 -8.173 817 HA2 GLY 106 2HA GLY 106 15.204 -3.817 -5.957 818 HA3 GLY 106 1HA GLY 106 13.604 -3.161 -6.197 819 HA PRO 107 HA PRO 107 14.179 -7.460 -8.287 820 HB2 PRO 107 2HB PRO 107 14.078 -9.321 -6.323 821 HB3 PRO 107 1HB PRO 107 15.584 -8.486 -6.731 822 HG2 PRO 107 2HG PRO 107 13.678 -7.947 -4.454 823 HG3 PRO 107 1HG PRO 107 15.454 -8.000 -4.437 824 HD2 PRO 107 2HD PRO 107 13.971 -5.665 -4.590 825 HD3 PRO 107 1HD PRO 107 15.638 -5.817 -5.180 826 H GLY 108 HN GLY 108 12.307 -8.019 -9.230 827 HA2 GLY 108 2HA GLY 108 10.203 -9.306 -7.699 828 HA3 GLY 108 1HA GLY 108 9.700 -7.815 -8.499 829 HA PRO 109 HA PRO 109 9.424 -11.531 -11.548 830 HB2 PRO 109 2HB PRO 109 6.529 -10.728 -11.601 831 HB3 PRO 109 1HB PRO 109 7.249 -12.342 -11.534 832 HG2 PRO 109 2HG PRO 109 6.070 -11.292 -9.377 833 HG3 PRO 109 1HG PRO 109 7.549 -12.265 -9.218 834 HD2 PRO 109 2HD PRO 109 7.252 -9.250 -9.174 835 HD3 PRO 109 1HD PRO 109 8.216 -10.303 -8.111 836 H ASN 110 HN ASN 110 8.274 -8.289 -11.297 837 HA ASN 110 HA ASN 110 8.437 -7.740 -14.187 838 HB2 ASN 110 2HB ASN 110 7.361 -5.583 -13.598 839 HB3 ASN 110 1HB ASN 110 6.416 -6.954 -13.037 840 HD21 ASN 110 1HD2 ASN 110 6.326 -4.226 -12.119 841 HD22 ASN 110 2HD2 ASN 110 6.675 -4.260 -10.429 842 H GLY 111 HN GLY 111 10.090 -7.206 -11.173 843 HA2 GLY 111 2HA GLY 111 12.365 -6.667 -10.948 844 HA3 GLY 111 1HA GLY 111 12.349 -5.909 -12.533 845 H LEU 112 HN LEU 112 9.864 -5.217 -10.200 846 HA LEU 112 HA LEU 112 11.055 -2.585 -9.540 847 HB2 LEU 112 2HB LEU 112 8.140 -3.376 -9.875 848 HB3 LEU 112 1HB LEU 112 8.634 -1.869 -9.111 849 HG LEU 112 HG LEU 112 9.305 -2.638 -11.985 850 HD11 LEU 112 1HD1 LEU 112 7.204 -0.689 -10.994 851 HD12 LEU 112 2HD1 LEU 112 6.893 -2.263 -11.728 852 HD13 LEU 112 3HD1 LEU 112 7.646 -0.985 -12.677 853 HD21 LEU 112 3HD2 LEU 112 10.972 -1.140 -11.015 854 HD22 LEU 112 1HD2 LEU 112 9.708 -0.026 -10.484 855 HD23 LEU 112 2HD2 LEU 112 10.009 -0.275 -12.208 856 H ARG 113 HN ARG 113 10.428 -1.768 -7.403 857 HA ARG 113 HA ARG 113 9.902 -3.862 -5.366 858 HB2 ARG 113 2HB ARG 113 12.305 -3.274 -5.398 859 HB3 ARG 113 1HB ARG 113 11.916 -1.570 -5.203 860 HG2 ARG 113 2HG ARG 113 11.004 -2.013 -2.976 861 HG3 ARG 113 1HG ARG 113 11.282 -3.743 -3.184 862 HD2 ARG 113 2HD ARG 113 13.026 -2.788 -1.781 863 HD3 ARG 113 1HD ARG 113 13.714 -3.318 -3.315 864 HE ARG 113 HE ARG 113 14.119 -1.104 -3.915 865 HH11 ARG 113 1HH1 ARG 113 12.417 -1.181 -0.821 866 HH12 ARG 113 2HH1 ARG 113 12.856 0.445 -0.411 867 HH21 ARG 113 1HH2 ARG 113 14.708 1.020 -3.321 868 HH22 ARG 113 2HH2 ARG 113 14.148 1.685 -1.821 869 H TYR 114 HN TYR 114 7.951 -3.361 -4.625 870 HA TYR 114 HA TYR 114 6.842 -0.704 -4.866 871 HB2 TYR 114 2HB TYR 114 5.679 -3.300 -3.738 872 HB3 TYR 114 1HB TYR 114 4.767 -1.809 -3.981 873 HD1 TYR 114 HD2 TYR 114 6.681 -4.469 -5.816 874 HD2 TYR 114 HD1 TYR 114 3.876 -1.262 -6.159 875 HE1 TYR 114 HE2 TYR 114 6.282 -5.064 -8.170 876 HE2 TYR 114 HE1 TYR 114 3.492 -1.848 -8.511 877 HH TYR 114 HH TYR 114 4.572 -3.018 -10.322 878 H CYS 115 HN CYS 115 7.725 0.736 -3.471 879 HA CYS 115 HA CYS 115 8.289 -0.128 -0.676 880 HB2 CYS 115 2HB CYS 115 9.747 1.936 -0.574 881 HB3 CYS 115 1HB CYS 115 10.288 0.747 -1.753 882 HG CYS 115 HG CYS 115 8.375 3.370 -2.757 883 H ILE 116 HN ILE 116 6.434 0.093 0.316 884 HA ILE 116 HA ILE 116 4.651 2.367 -0.281 885 HB ILE 116 HB ILE 116 3.956 -0.292 1.067 886 HG12 ILE 116 2HG1 ILE 116 4.746 -0.745 -1.247 887 HG13 ILE 116 1HG1 ILE 116 3.020 -1.046 -1.106 888 HG21 ILE 116 1HG2 ILE 116 2.376 1.542 1.528 889 HG22 ILE 116 2HG2 ILE 116 1.630 0.286 0.545 890 HG23 ILE 116 3HG2 ILE 116 2.148 1.796 -0.204 891 HD11 ILE 116 3HD1 ILE 116 2.565 1.090 -2.219 892 HD12 ILE 116 1HD1 ILE 116 3.566 0.026 -3.206 893 HD13 ILE 116 2HD1 ILE 116 4.300 1.385 -2.356 894 H ASN 117 HN ASN 117 3.961 3.681 1.364 895 HA ASN 117 HA ASN 117 5.740 3.902 3.605 896 HB2 ASN 117 2HB ASN 117 4.113 5.952 4.080 897 HB3 ASN 117 1HB ASN 117 5.292 6.002 2.785 898 HD21 ASN 117 1HD2 ASN 117 2.284 4.155 2.474 899 HD22 ASN 117 2HD2 ASN 117 1.572 5.205 1.308 900 H SER 118 HN SER 118 5.509 3.190 5.599 901 HA SER 118 HA SER 118 3.520 1.413 6.444 902 HB2 SER 118 2HB SER 118 5.456 3.021 8.157 903 HB3 SER 118 1HB SER 118 4.578 1.583 8.684 904 HG SER 118 HG SER 118 6.902 1.637 7.585 905 H ALA 119 HN ALA 119 3.730 4.878 6.818 906 HA ALA 119 HA ALA 119 1.862 5.317 8.871 907 HB1 ALA 119 3HB ALA 119 2.596 7.135 6.558 908 HB2 ALA 119 1HB ALA 119 3.454 7.030 8.097 909 HB3 ALA 119 2HB ALA 119 1.797 7.638 8.048 910 H ALA 120 HN ALA 120 1.442 4.589 5.490 911 HA ALA 120 HA ALA 120 -1.358 5.342 5.424 912 HB1 ALA 120 3HB ALA 120 0.343 4.034 3.302 913 HB2 ALA 120 1HB ALA 120 0.075 5.769 3.485 914 HB3 ALA 120 2HB ALA 120 -1.274 4.710 3.077 915 H LEU 121 HN LEU 121 0.292 2.561 6.386 916 HA LEU 121 HA LEU 121 -1.684 0.720 5.196 917 HB2 LEU 121 2HB LEU 121 1.080 0.113 6.288 918 HB3 LEU 121 1HB LEU 121 0.013 -1.009 5.446 919 HG LEU 121 HG LEU 121 1.385 1.427 4.259 920 HD11 LEU 121 1HD1 LEU 121 2.877 -0.458 4.615 921 HD12 LEU 121 2HD1 LEU 121 2.597 -0.202 2.899 922 HD13 LEU 121 3HD1 LEU 121 1.781 -1.530 3.732 923 HD21 LEU 121 3HD2 LEU 121 0.367 0.738 2.098 924 HD22 LEU 121 1HD2 LEU 121 -0.832 1.250 3.282 925 HD23 LEU 121 2HD2 LEU 121 -0.597 -0.465 2.951 926 H ARG 122 HN ARG 122 -2.491 -0.967 6.317 927 HA ARG 122 HA ARG 122 -1.901 -1.367 9.152 928 HB2 ARG 122 2HB ARG 122 -4.387 -1.568 9.671 929 HB3 ARG 122 1HB ARG 122 -3.825 0.072 9.372 930 HG2 ARG 122 2HG ARG 122 -4.756 0.032 7.123 931 HG3 ARG 122 1HG ARG 122 -5.235 -1.655 7.319 932 HD2 ARG 122 2HD ARG 122 -6.862 -1.058 9.017 933 HD3 ARG 122 1HD ARG 122 -6.308 0.626 9.018 934 HE ARG 122 HE ARG 122 -6.991 0.455 6.503 935 HH11 ARG 122 1HH1 ARG 122 -8.776 -0.990 9.148 936 HH12 ARG 122 2HH1 ARG 122 -10.298 -0.859 8.335 937 HH21 ARG 122 1HH2 ARG 122 -8.984 0.709 5.509 938 HH22 ARG 122 2HH2 ARG 122 -10.416 0.094 6.271 939 H PHE 123 HN PHE 123 -1.653 -3.462 9.507 940 HA PHE 123 HA PHE 123 -2.325 -5.472 7.548 941 HB2 PHE 123 2HB PHE 123 -1.220 -7.073 8.977 942 HB3 PHE 123 1HB PHE 123 -0.244 -5.615 9.010 943 HD1 PHE 123 HD1 PHE 123 -0.665 -3.987 11.075 944 HD2 PHE 123 HD2 PHE 123 -1.792 -8.120 11.030 945 HE1 PHE 123 HE1 PHE 123 -0.726 -4.008 13.535 946 HE2 PHE 123 HE2 PHE 123 -1.836 -8.127 13.489 947 HZ PHE 123 HZ PHE 123 -1.304 -6.074 14.743 948 H VAL 124 HN VAL 124 -4.194 -6.638 7.512 949 HA VAL 124 HA VAL 124 -6.105 -6.379 9.758 950 HB VAL 124 HB VAL 124 -6.950 -6.240 6.822 951 HG11 VAL 124 1HG1 VAL 124 -8.484 -5.646 9.382 952 HG12 VAL 124 2HG1 VAL 124 -8.687 -7.074 8.364 953 HG13 VAL 124 3HG1 VAL 124 -9.118 -5.480 7.743 954 HG21 VAL 124 3HG2 VAL 124 -6.615 -3.904 8.735 955 HG22 VAL 124 1HG2 VAL 124 -7.357 -3.821 7.131 956 HG23 VAL 124 2HG2 VAL 124 -5.648 -4.229 7.295 957 HA PRO 125 HA PRO 125 -5.413 -10.930 9.001 958 HB2 PRO 125 2HB PRO 125 -7.003 -10.828 11.580 959 HB3 PRO 125 1HB PRO 125 -5.617 -11.844 11.145 960 HG2 PRO 125 2HG PRO 125 -5.237 -9.755 12.722 961 HG3 PRO 125 1HG PRO 125 -4.071 -10.084 11.421 962 HD2 PRO 125 2HD PRO 125 -6.274 -8.021 11.519 963 HD3 PRO 125 1HD PRO 125 -4.617 -7.873 10.889 964 H LYS 126 HN LYS 126 -6.935 -12.673 8.641 965 HA LYS 126 HA LYS 126 -9.110 -11.944 7.056 966 HB2 LYS 126 2HB LYS 126 -9.581 -14.356 6.844 967 HB3 LYS 126 1HB LYS 126 -7.875 -13.985 6.637 968 HG2 LYS 126 2HG LYS 126 -7.344 -14.829 8.842 969 HG3 LYS 126 1HG LYS 126 -9.053 -15.045 9.235 970 HD2 LYS 126 2HD LYS 126 -7.528 -16.554 7.064 971 HD3 LYS 126 1HD LYS 126 -7.960 -17.194 8.654 972 HE2 LYS 126 2HE LYS 126 -10.368 -16.924 8.096 973 HE3 LYS 126 1HE LYS 126 -9.919 -16.304 6.506 974 HZ1 LYS 126 3HZ LYS 126 -8.877 -18.429 6.035 975 HZ2 LYS 126 1HZ LYS 126 -10.520 -18.597 6.393 976 HZ3 LYS 126 2HZ LYS 126 -9.360 -19.015 7.546 977 H HIS 127 HN HIS 127 -9.087 -12.310 10.447 978 HA HIS 127 HA HIS 127 -11.888 -12.900 10.859 979 HB2 HIS 127 2HB HIS 127 -10.231 -13.499 12.587 980 HB3 HIS 127 1HB HIS 127 -9.718 -11.821 12.725 981 HD1 HIS 127 HD1 HIS 127 -12.733 -14.019 13.460 982 HD2 HIS 127 HD2 HIS 127 -11.117 -10.349 14.554 983 HE1 HIS 127 HE1 HIS 127 -14.146 -13.203 15.369 984 HE2 HIS 127 HE2 HIS 127 -13.242 -10.917 15.910 985 H LYS 128 HN LYS 128 -9.849 -10.056 10.535 986 HA LYS 128 HA LYS 128 -11.939 -8.182 11.406 987 HB2 LYS 128 2HB LYS 128 -9.029 -7.717 10.638 988 HB3 LYS 128 1HB LYS 128 -10.128 -6.481 11.245 989 HG2 LYS 128 2HG LYS 128 -10.320 -7.798 13.382 990 HG3 LYS 128 1HG LYS 128 -9.089 -8.899 12.753 991 HD2 LYS 128 2HD LYS 128 -8.087 -7.243 14.271 992 HD3 LYS 128 1HD LYS 128 -7.467 -7.034 12.632 993 HE2 LYS 128 2HE LYS 128 -8.948 -5.112 12.285 994 HE3 LYS 128 1HE LYS 128 -9.696 -5.360 13.862 995 HZ1 LYS 128 3HZ LYS 128 -7.573 -4.863 14.897 996 HZ2 LYS 128 1HZ LYS 128 -8.083 -3.584 13.911 997 HZ3 LYS 128 2HZ LYS 128 -6.860 -4.626 13.381 998 H LEU 129 HN LEU 129 -10.433 -9.378 8.512 999 HA LEU 129 HA LEU 129 -11.102 -7.390 6.657 1000 HB2 LEU 129 2HB LEU 129 -10.943 -10.395 6.370 1001 HB3 LEU 129 1HB LEU 129 -11.156 -9.309 5.005 1002 HG LEU 129 HG LEU 129 -8.733 -9.357 6.835 1003 HD11 LEU 129 1HD1 LEU 129 -7.561 -10.360 4.942 1004 HD12 LEU 129 2HD1 LEU 129 -9.042 -10.339 3.974 1005 HD13 LEU 129 3HD1 LEU 129 -8.938 -11.365 5.409 1006 HD21 LEU 129 3HD2 LEU 129 -9.257 -7.767 4.302 1007 HD22 LEU 129 1HD2 LEU 129 -7.749 -7.798 5.222 1008 HD23 LEU 129 2HD2 LEU 129 -9.204 -7.114 5.947 1009 H LYS 130 HN LYS 130 -13.071 -9.912 8.138 1010 HA LYS 130 HA LYS 130 -15.421 -9.783 6.698 1011 HB2 LYS 130 2HB LYS 130 -15.232 -11.438 8.397 1012 HB3 LYS 130 1HB LYS 130 -14.802 -10.254 9.625 1013 HG2 LYS 130 2HG LYS 130 -17.072 -9.458 9.776 1014 HG3 LYS 130 1HG LYS 130 -17.553 -10.408 8.365 1015 HD2 LYS 130 2HD LYS 130 -18.286 -11.425 10.526 1016 HD3 LYS 130 1HD LYS 130 -17.246 -12.490 9.580 1017 HE2 LYS 130 2HE LYS 130 -16.647 -12.603 11.948 1018 HE3 LYS 130 1HE LYS 130 -15.331 -11.866 11.043 1019 HZ1 LYS 130 3HZ LYS 130 -15.765 -10.715 13.101 1020 HZ2 LYS 130 1HZ LYS 130 -17.358 -10.424 12.640 1021 HZ3 LYS 130 2HZ LYS 130 -16.096 -9.709 11.782 1022 H GLU 131 HN GLU 131 -14.321 -7.743 9.358 1023 HA GLU 131 HA GLU 131 -16.489 -5.964 9.468 1024 HB2 GLU 131 2HB GLU 131 -13.608 -5.296 10.178 1025 HB3 GLU 131 1HB GLU 131 -15.058 -4.499 10.790 1026 HG2 GLU 131 2HG GLU 131 -14.156 -7.339 11.367 1027 HG3 GLU 131 1HG GLU 131 -14.117 -5.978 12.484 1028 H GLU 132 HN GLU 132 -13.452 -5.865 7.546 1029 HA GLU 132 HA GLU 132 -13.923 -3.374 6.315 1030 HB2 GLU 132 2HB GLU 132 -12.281 -5.753 5.356 1031 HB3 GLU 132 1HB GLU 132 -12.198 -4.127 4.671 1032 HG2 GLU 132 2HG GLU 132 -11.379 -4.992 7.458 1033 HG3 GLU 132 1HG GLU 132 -10.321 -4.461 6.150 1034 H GLY 133 HN GLY 133 -15.696 -6.333 5.798 1035 HA2 GLY 133 2HA GLY 133 -17.695 -5.963 4.441 1036 HA3 GLY 133 1HA GLY 133 -16.656 -5.271 3.204 1037 H TYR 134 HN TYR 134 -14.897 -7.718 4.426 1038 HA TYR 134 HA TYR 134 -14.185 -9.715 3.927 1039 HB2 TYR 134 2HB TYR 134 -15.721 -11.625 4.104 1040 HB3 TYR 134 1HB TYR 134 -15.938 -10.451 5.383 1041 HD1 TYR 134 HD2 TYR 134 -18.044 -9.159 5.544 1042 HD2 TYR 134 HD1 TYR 134 -17.526 -12.078 2.461 1043 HE1 TYR 134 HE2 TYR 134 -20.466 -9.149 5.123 1044 HE2 TYR 134 HE1 TYR 134 -19.940 -12.063 2.049 1045 HH TYR 134 HH TYR 134 -22.013 -11.529 3.288 1046 H GLU 135 HN GLU 135 -16.825 -9.235 1.676 1047 HA GLU 135 HA GLU 135 -16.761 -11.244 -0.010 1048 HB2 GLU 135 2HB GLU 135 -17.618 -9.699 -1.808 1049 HB3 GLU 135 1HB GLU 135 -18.408 -9.531 -0.246 1050 HG2 GLU 135 2HG GLU 135 -17.163 -7.494 0.232 1051 HG3 GLU 135 1HG GLU 135 -16.221 -7.689 -1.246 1052 H SER 136 HN SER 136 -14.611 -8.393 -0.757 1053 HA SER 136 HA SER 136 -13.450 -9.759 -3.029 1054 HB2 SER 136 2HB SER 136 -12.554 -7.167 -1.680 1055 HB3 SER 136 1HB SER 136 -12.250 -7.666 -3.349 1056 HG SER 136 HG SER 136 -14.262 -7.161 -3.890 1057 H TYR 137 HN TYR 137 -12.475 -8.670 0.130 1058 HA TYR 137 HA TYR 137 -9.796 -9.032 0.250 1059 HB2 TYR 137 2HB TYR 137 -11.718 -9.525 2.566 1060 HB3 TYR 137 1HB TYR 137 -10.052 -8.966 2.683 1061 HD1 TYR 137 HD1 TYR 137 -9.487 -6.595 2.155 1062 HD2 TYR 137 HD2 TYR 137 -13.509 -7.997 1.858 1063 HE1 TYR 137 HE1 TYR 137 -10.285 -4.286 2.007 1064 HE2 TYR 137 HE2 TYR 137 -14.302 -5.690 1.713 1065 HH TYR 137 HH TYR 137 -13.464 -3.420 2.427 1066 H LEU 138 HN LEU 138 -12.164 -11.415 1.445 1067 HA LEU 138 HA LEU 138 -10.187 -13.425 2.030 1068 HB2 LEU 138 2HB LEU 138 -13.219 -13.413 2.162 1069 HB3 LEU 138 1HB LEU 138 -12.279 -14.850 2.528 1070 HG LEU 138 HG LEU 138 -11.190 -13.674 4.426 1071 HD11 LEU 138 1HD1 LEU 138 -11.250 -11.371 3.632 1072 HD12 LEU 138 2HD1 LEU 138 -12.043 -11.503 5.202 1073 HD13 LEU 138 3HD1 LEU 138 -13.019 -11.359 3.740 1074 HD21 LEU 138 3HD2 LEU 138 -14.212 -13.463 4.588 1075 HD22 LEU 138 1HD2 LEU 138 -13.078 -13.581 5.941 1076 HD23 LEU 138 2HD2 LEU 138 -13.277 -14.945 4.838 1077 H HIS 139 HN HIS 139 -12.146 -12.641 -0.703 1078 HA HIS 139 HA HIS 139 -12.174 -15.199 -1.996 1079 HB2 HIS 139 2HB HIS 139 -13.775 -13.340 -2.517 1080 HB3 HIS 139 1HB HIS 139 -12.454 -12.410 -3.218 1081 HD1 HIS 139 HD1 HIS 139 -14.575 -15.471 -3.835 1082 HD2 HIS 139 HD2 HIS 139 -11.824 -13.101 -5.842 1083 HE1 HIS 139 HE1 HIS 139 -14.680 -16.210 -6.227 1084 HE2 HIS 139 HE2 HIS 139 -13.171 -14.604 -7.443 1085 H LEU 140 HN LEU 140 -10.087 -12.368 -2.132 1086 HA LEU 140 HA LEU 140 -8.279 -13.285 -4.176 1087 HB2 LEU 140 2HB LEU 140 -7.956 -11.121 -2.051 1088 HB3 LEU 140 1HB LEU 140 -6.876 -11.350 -3.423 1089 HG LEU 140 HG LEU 140 -9.829 -10.664 -3.687 1090 HD11 LEU 140 1HD1 LEU 140 -7.444 -8.802 -3.870 1091 HD12 LEU 140 2HD1 LEU 140 -8.667 -8.823 -2.594 1092 HD13 LEU 140 3HD1 LEU 140 -9.116 -8.385 -4.239 1093 HD21 LEU 140 3HD2 LEU 140 -8.922 -11.846 -5.635 1094 HD22 LEU 140 1HD2 LEU 140 -7.606 -10.670 -5.760 1095 HD23 LEU 140 2HD2 LEU 140 -9.278 -10.169 -6.030 1096 H PHE 141 HN PHE 141 -8.256 -13.169 -0.633 1097 HA PHE 141 HA PHE 141 -5.595 -14.111 -0.274 1098 HB2 PHE 141 2HB PHE 141 -6.824 -12.742 1.411 1099 HB3 PHE 141 1HB PHE 141 -7.934 -14.085 1.691 1100 HD1 PHE 141 HD1 PHE 141 -4.337 -13.171 1.799 1101 HD2 PHE 141 HD2 PHE 141 -7.380 -15.727 3.340 1102 HE1 PHE 141 HE1 PHE 141 -2.745 -14.102 3.396 1103 HE2 PHE 141 HE2 PHE 141 -5.768 -16.659 4.945 1104 HZ PHE 141 HZ PHE 141 -3.456 -15.840 4.951 1105 H ASN 142 HN ASN 142 -8.762 -15.704 -0.162 1106 HA ASN 142 HA ASN 142 -7.513 -18.383 -0.058 1107 HB2 ASN 142 2HB ASN 142 -9.331 -17.955 1.591 1108 HB3 ASN 142 1HB ASN 142 -10.434 -17.538 0.293 1109 HD21 ASN 142 1HD2 ASN 142 -11.378 -19.205 -0.923 1110 HD22 ASN 142 2HD2 ASN 142 -11.269 -20.865 -0.461 1111 H LYS 143 HN LYS 143 -6.691 -17.804 -2.180 1112 HA LYS 143 HA LYS 143 -8.392 -17.520 -4.466 1113 HB2 LYS 143 2HB LYS 143 -6.238 -17.836 -5.762 1114 HB3 LYS 143 1HB LYS 143 -6.211 -16.522 -4.596 1115 HG2 LYS 143 2HG LYS 143 -4.877 -17.853 -3.046 1116 HG3 LYS 143 1HG LYS 143 -5.008 -19.261 -4.097 1117 HD2 LYS 143 2HD LYS 143 -2.829 -18.385 -4.472 1118 HD3 LYS 143 1HD LYS 143 -3.776 -17.911 -5.879 1119 HE2 LYS 143 2HE LYS 143 -3.129 -16.101 -3.520 1120 HE3 LYS 143 1HE LYS 143 -2.271 -16.104 -5.059 1121 HZ1 LYS 143 3HZ LYS 143 -4.498 -15.582 -6.092 1122 HZ2 LYS 143 1HZ LYS 143 -3.799 -14.358 -5.163 1123 HZ3 LYS 143 2HZ LYS 143 -5.059 -15.277 -4.526 1124 H LEU 144 HN LEU 144 -9.834 -19.254 -4.440 1125 HA LEU 144 HA LEU 144 -9.183 -21.963 -4.049 1126 HB2 LEU 144 2HB LEU 144 -11.489 -20.931 -3.863 1127 HB3 LEU 144 1HB LEU 144 -11.575 -20.877 -5.609 1128 HG LEU 144 HG LEU 144 -12.866 -22.759 -4.462 1129 HD11 LEU 144 1HD1 LEU 144 -12.368 -24.477 -6.102 1130 HD12 LEU 144 2HD1 LEU 144 -10.851 -23.678 -6.525 1131 HD13 LEU 144 3HD1 LEU 144 -12.391 -22.880 -6.845 1132 HD21 LEU 144 3HD2 LEU 144 -10.114 -23.954 -3.991 1133 HD22 LEU 144 1HD2 LEU 144 -11.667 -24.755 -3.718 1134 HD23 LEU 144 2HD2 LEU 144 -11.220 -23.353 -2.752 1135 H GLU 145 HN GLU 145 -9.957 -20.284 -7.119 1136 HA GLU 145 HA GLU 145 -8.694 -22.383 -8.693 1137 HB2 GLU 145 2HB GLU 145 -10.778 -21.285 -9.511 1138 HB3 GLU 145 1HB GLU 145 -9.926 -19.743 -9.611 1139 HG2 GLU 145 2HG GLU 145 -8.375 -20.750 -11.292 1140 HG3 GLU 145 1HG GLU 145 -9.294 -22.253 -11.209 1141 H HIS 146 HN HIS 146 -6.719 -22.307 -9.538 1142 HA HIS 146 HA HIS 146 -5.199 -20.010 -10.205 1143 HB2 HIS 146 2HB HIS 146 -3.349 -20.209 -8.573 1144 HB3 HIS 146 1HB HIS 146 -4.862 -19.867 -7.731 1145 HD1 HIS 146 HD1 HIS 146 -2.228 -22.483 -8.148 1146 HD2 HIS 146 HD2 HIS 146 -5.813 -21.988 -6.101 1147 HE1 HIS 146 HE1 HIS 146 -2.292 -24.328 -6.454 1148 HE2 HIS 146 HE2 HIS 146 -4.520 -24.083 -5.305 1149 H HIS 147 HN HIS 147 -2.669 -20.999 -10.389 1150 HA HIS 147 HA HIS 147 -2.776 -23.015 -12.393 1151 HB2 HIS 147 2HB HIS 147 -1.013 -21.238 -12.295 1152 HB3 HIS 147 1HB HIS 147 -0.350 -21.977 -10.848 1153 HD1 HIS 147 HD1 HIS 147 0.113 -21.880 -14.398 1154 HD2 HIS 147 HD2 HIS 147 0.637 -24.769 -11.457 1155 HE1 HIS 147 HE1 HIS 147 1.698 -23.561 -15.383 1156 HE2 HIS 147 HE2 HIS 147 1.978 -25.315 -13.611 Start of MODEL 6 1 H1 MET 1 1H MET 1 -12.350 16.762 21.824 2 H2 MET 1 2H MET 1 -12.567 16.693 20.151 3 H3 MET 1 3H MET 1 -11.487 17.810 20.815 4 HA MET 1 HA MET 1 -10.342 15.944 19.820 5 HB2 MET 1 2HB MET 1 -10.128 16.140 22.849 6 HB3 MET 1 1HB MET 1 -8.937 15.336 21.832 7 HG2 MET 1 2HG MET 1 -8.115 17.527 22.391 8 HG3 MET 1 1HG MET 1 -8.520 17.515 20.676 9 HE1 MET 1 3HE MET 1 -10.952 17.885 23.827 10 HE2 MET 1 1HE MET 1 -11.027 19.646 23.943 11 HE3 MET 1 2HE MET 1 -9.509 18.807 24.256 12 H ALA 2 HN ALA 2 -13.199 15.036 21.168 13 HA ALA 2 HA ALA 2 -12.748 12.303 21.860 14 HB1 ALA 2 3HB ALA 2 -15.315 13.672 20.979 15 HB2 ALA 2 1HB ALA 2 -14.727 13.552 22.642 16 HB3 ALA 2 2HB ALA 2 -15.202 12.092 21.765 17 H TYR 3 HN TYR 3 -12.035 10.811 20.440 18 HA TYR 3 HA TYR 3 -11.951 11.299 17.625 19 HB2 TYR 3 2HB TYR 3 -11.079 8.900 19.286 20 HB3 TYR 3 1HB TYR 3 -10.785 9.051 17.551 21 HD1 TYR 3 HD2 TYR 3 -9.356 10.957 16.697 22 HD2 TYR 3 HD1 TYR 3 -9.655 10.076 20.871 23 HE1 TYR 3 HE2 TYR 3 -7.343 12.292 17.121 24 HE2 TYR 3 HE1 TYR 3 -7.638 11.422 21.296 25 HH TYR 3 HH TYR 3 -6.349 13.563 19.061 26 H ASN 4 HN ASN 4 -14.080 11.420 16.973 27 HA ASN 4 HA ASN 4 -15.779 9.064 16.758 28 HB2 ASN 4 2HB ASN 4 -16.485 11.590 16.822 29 HB3 ASN 4 1HB ASN 4 -15.950 11.673 15.154 30 HD21 ASN 4 1HD2 ASN 4 -18.557 12.235 16.161 31 HD22 ASN 4 2HD2 ASN 4 -19.660 11.131 15.413 32 H LYS 5 HN LYS 5 -16.369 8.374 14.355 33 HA LYS 5 HA LYS 5 -14.242 7.583 12.723 34 HB2 LYS 5 2HB LYS 5 -16.505 6.686 12.403 35 HB3 LYS 5 1HB LYS 5 -17.111 8.273 11.939 36 HG2 LYS 5 2HG LYS 5 -15.690 8.209 9.896 37 HG3 LYS 5 1HG LYS 5 -15.110 6.607 10.355 38 HD2 LYS 5 2HD LYS 5 -18.002 7.327 9.709 39 HD3 LYS 5 1HD LYS 5 -16.875 6.518 8.615 40 HE2 LYS 5 2HE LYS 5 -17.914 5.434 11.251 41 HE3 LYS 5 1HE LYS 5 -18.358 4.881 9.636 42 HZ1 LYS 5 3HZ LYS 5 -16.717 3.454 10.723 43 HZ2 LYS 5 1HZ LYS 5 -15.618 4.737 10.770 44 HZ3 LYS 5 2HZ LYS 5 -16.127 4.116 9.285 45 H GLU 6 HN GLU 6 -16.096 10.610 12.684 46 HA GLU 6 HA GLU 6 -15.052 11.765 10.333 47 HB2 GLU 6 2HB GLU 6 -16.062 13.239 12.803 48 HB3 GLU 6 1HB GLU 6 -15.993 13.871 11.159 49 HG2 GLU 6 2HG GLU 6 -17.820 11.693 12.225 50 HG3 GLU 6 1HG GLU 6 -18.287 13.310 11.710 51 H GLU 7 HN GLU 7 -14.099 12.153 13.733 52 HA GLU 7 HA GLU 7 -11.841 13.803 13.396 53 HB2 GLU 7 2HB GLU 7 -12.455 11.779 15.584 54 HB3 GLU 7 1HB GLU 7 -11.219 13.029 15.692 55 HG2 GLU 7 2HG GLU 7 -14.193 13.573 15.363 56 HG3 GLU 7 1HG GLU 7 -13.337 13.582 16.902 57 H LYS 8 HN LYS 8 -12.188 10.285 13.302 58 HA LYS 8 HA LYS 8 -9.472 9.520 13.309 59 HB2 LYS 8 2HB LYS 8 -11.119 7.812 13.708 60 HB3 LYS 8 1HB LYS 8 -11.992 8.201 12.232 61 HG2 LYS 8 2HG LYS 8 -10.072 7.310 10.895 62 HG3 LYS 8 1HG LYS 8 -9.266 6.858 12.401 63 HD2 LYS 8 2HD LYS 8 -11.980 5.797 11.506 64 HD3 LYS 8 1HD LYS 8 -10.446 4.957 11.265 65 HE2 LYS 8 2HE LYS 8 -11.681 5.670 13.953 66 HE3 LYS 8 1HE LYS 8 -11.625 4.062 13.226 67 HZ1 LYS 8 3HZ LYS 8 -9.883 4.278 14.834 68 HZ2 LYS 8 1HZ LYS 8 -9.286 5.678 14.094 69 HZ3 LYS 8 2HZ LYS 8 -9.191 4.193 13.296 70 H ILE 9 HN ILE 9 -11.757 9.852 10.604 71 HA ILE 9 HA ILE 9 -9.968 9.417 8.502 72 HB ILE 9 HB ILE 9 -12.641 10.886 8.524 73 HG12 ILE 9 2HG1 ILE 9 -12.841 8.540 9.217 74 HG13 ILE 9 1HG1 ILE 9 -13.544 8.721 7.616 75 HG21 ILE 9 1HG2 ILE 9 -11.090 9.919 6.093 76 HG22 ILE 9 2HG2 ILE 9 -11.415 11.598 6.531 77 HG23 ILE 9 3HG2 ILE 9 -12.746 10.536 6.074 78 HD11 ILE 9 3HD1 ILE 9 -12.290 6.668 7.790 79 HD12 ILE 9 1HD1 ILE 9 -10.841 7.551 8.270 80 HD13 ILE 9 2HD1 ILE 9 -11.500 7.749 6.643 81 H LYS 10 HN LYS 10 -10.931 12.444 10.079 82 HA LYS 10 HA LYS 10 -9.671 14.273 8.395 83 HB2 LYS 10 2HB LYS 10 -11.288 15.053 9.961 84 HB3 LYS 10 1HB LYS 10 -10.457 14.319 11.317 85 HG2 LYS 10 2HG LYS 10 -8.799 16.364 9.991 86 HG3 LYS 10 1HG LYS 10 -10.339 17.021 10.544 87 HD2 LYS 10 2HD LYS 10 -8.328 15.507 12.271 88 HD3 LYS 10 1HD LYS 10 -8.548 17.261 12.258 89 HE2 LYS 10 2HE LYS 10 -10.892 16.935 13.053 90 HE3 LYS 10 1HE LYS 10 -10.613 15.194 13.108 91 HZ1 LYS 10 3HZ LYS 10 -9.236 17.255 14.731 92 HZ2 LYS 10 1HZ LYS 10 -8.870 15.607 14.745 93 HZ3 LYS 10 2HZ LYS 10 -10.385 16.134 15.270 94 H SER 11 HN SER 11 -8.426 12.862 11.453 95 HA SER 11 HA SER 11 -5.879 14.104 11.359 96 HB2 SER 11 2HB SER 11 -5.257 12.350 13.096 97 HB3 SER 11 1HB SER 11 -6.713 13.266 13.480 98 HG SER 11 HG SER 11 -7.852 11.510 13.351 99 H LEU 12 HN LEU 12 -6.925 10.791 10.548 100 HA LEU 12 HA LEU 12 -4.755 9.605 9.474 101 HB2 LEU 12 2HB LEU 12 -6.792 8.390 9.651 102 HB3 LEU 12 1HB LEU 12 -7.672 9.552 8.679 103 HG LEU 12 HG LEU 12 -6.501 8.749 6.644 104 HD11 LEU 12 1HD1 LEU 12 -5.214 6.668 8.434 105 HD12 LEU 12 2HD1 LEU 12 -4.400 8.006 7.618 106 HD13 LEU 12 3HD1 LEU 12 -5.135 6.720 6.668 107 HD21 LEU 12 3HD2 LEU 12 -7.712 6.618 6.457 108 HD22 LEU 12 1HD2 LEU 12 -8.689 7.841 7.266 109 HD23 LEU 12 2HD2 LEU 12 -7.919 6.561 8.209 110 H ASN 13 HN ASN 13 -7.003 11.648 7.561 111 HA ASN 13 HA ASN 13 -5.598 11.266 5.117 112 HB2 ASN 13 2HB ASN 13 -7.943 12.968 5.970 113 HB3 ASN 13 1HB ASN 13 -7.128 13.389 4.465 114 HD21 ASN 13 1HD2 ASN 13 -8.628 10.642 6.147 115 HD22 ASN 13 2HD2 ASN 13 -9.199 9.861 4.727 116 H ARG 14 HN ARG 14 -5.406 13.781 7.606 117 HA ARG 14 HA ARG 14 -3.673 15.537 6.283 118 HB2 ARG 14 2HB ARG 14 -4.778 16.023 8.464 119 HB3 ARG 14 1HB ARG 14 -3.717 14.859 9.254 120 HG2 ARG 14 2HG ARG 14 -1.748 16.252 8.672 121 HG3 ARG 14 1HG ARG 14 -2.810 17.411 7.862 122 HD2 ARG 14 2HD ARG 14 -3.963 17.802 10.043 123 HD3 ARG 14 1HD ARG 14 -2.794 16.723 10.816 124 HE ARG 14 HE ARG 14 -1.539 18.839 9.346 125 HH11 ARG 14 1HH1 ARG 14 -2.956 18.024 12.451 126 HH12 ARG 14 2HH1 ARG 14 -2.207 19.355 13.272 127 HH21 ARG 14 1HH2 ARG 14 -0.582 20.580 10.421 128 HH22 ARG 14 2HH2 ARG 14 -0.860 20.813 12.115 129 H MET 15 HN MET 15 -2.845 12.800 8.444 130 HA MET 15 HA MET 15 -0.021 13.225 8.281 131 HB2 MET 15 2HB MET 15 0.253 11.181 9.618 132 HB3 MET 15 1HB MET 15 -0.994 12.202 10.309 133 HG2 MET 15 2HG MET 15 -2.735 10.731 9.486 134 HG3 MET 15 1HG MET 15 -1.554 9.764 8.603 135 HE1 MET 15 3HE MET 15 0.350 7.903 11.474 136 HE2 MET 15 1HE MET 15 0.860 9.359 10.624 137 HE3 MET 15 2HE MET 15 0.116 8.031 9.728 138 H GLN 16 HN GLN 16 -2.246 10.912 6.799 139 HA GLN 16 HA GLN 16 -0.378 9.343 5.424 140 HB2 GLN 16 2HB GLN 16 -2.744 8.682 5.826 141 HB3 GLN 16 1HB GLN 16 -3.279 9.934 4.710 142 HG2 GLN 16 2HG GLN 16 -2.034 8.774 2.880 143 HG3 GLN 16 1HG GLN 16 -1.632 7.484 4.011 144 HE21 GLN 16 1HE2 GLN 16 -3.372 6.184 4.838 145 HE22 GLN 16 2HE2 GLN 16 -4.825 6.017 3.928 146 H TYR 17 HN TYR 17 -2.404 12.054 4.294 147 HA TYR 17 HA TYR 17 -1.486 12.126 1.634 148 HB2 TYR 17 2HB TYR 17 -3.498 13.385 2.296 149 HB3 TYR 17 1HB TYR 17 -2.512 14.506 3.229 150 HD1 TYR 17 HD1 TYR 17 -3.150 13.285 -0.251 151 HD2 TYR 17 HD2 TYR 17 -1.513 16.428 2.145 152 HE1 TYR 17 HE1 TYR 17 -2.841 14.659 -2.260 153 HE2 TYR 17 HE2 TYR 17 -1.222 17.810 0.133 154 HH TYR 17 HH TYR 17 -2.635 17.010 -2.875 155 H GLU 18 HN GLU 18 -0.284 14.031 4.451 156 HA GLU 18 HA GLU 18 1.705 15.464 2.996 157 HB2 GLU 18 2HB GLU 18 2.630 16.115 5.153 158 HB3 GLU 18 1HB GLU 18 0.873 16.156 5.238 159 HG2 GLU 18 2HG GLU 18 0.878 13.979 6.393 160 HG3 GLU 18 1HG GLU 18 2.638 13.945 6.319 161 H VAL 19 HN VAL 19 1.663 12.229 4.252 162 HA VAL 19 HA VAL 19 4.529 11.770 4.150 163 HB VAL 19 HB VAL 19 2.121 9.968 4.590 164 HG11 VAL 19 1HG1 VAL 19 3.534 8.616 3.128 165 HG12 VAL 19 2HG1 VAL 19 3.609 7.984 4.774 166 HG13 VAL 19 3HG1 VAL 19 4.937 8.951 4.138 167 HG21 VAL 19 3HG2 VAL 19 3.263 9.454 6.719 168 HG22 VAL 19 1HG2 VAL 19 3.005 11.191 6.528 169 HG23 VAL 19 2HG2 VAL 19 4.610 10.500 6.257 170 H THR 20 HN THR 20 1.778 10.589 2.216 171 HA THR 20 HA THR 20 3.150 9.303 0.184 172 HB THR 20 HB THR 20 1.059 9.395 -1.118 173 HG1 THR 20 HG1 THR 20 0.378 11.457 0.724 174 HG21 THR 20 3HG2 THR 20 -0.536 8.545 0.589 175 HG22 THR 20 1HG2 THR 20 0.530 9.127 1.863 176 HG23 THR 20 2HG2 THR 20 1.070 7.843 0.782 177 H GLN 21 HN GLN 21 2.381 12.716 0.499 178 HA GLN 21 HA GLN 21 2.850 13.358 -2.297 179 HB2 GLN 21 2HB GLN 21 1.091 14.498 -0.937 180 HB3 GLN 21 1HB GLN 21 2.340 15.201 0.078 181 HG2 GLN 21 2HG GLN 21 1.484 16.828 -1.530 182 HG3 GLN 21 1HG GLN 21 3.188 16.489 -1.841 183 HE21 GLN 21 1HE2 GLN 21 3.754 15.347 -3.737 184 HE22 GLN 21 2HE2 GLN 21 2.647 15.133 -5.049 185 H ASN 22 HN ASN 22 4.579 13.646 0.766 186 HA ASN 22 HA ASN 22 6.821 15.133 -0.437 187 HB2 ASN 22 2HB ASN 22 5.965 15.838 1.788 188 HB3 ASN 22 1HB ASN 22 6.309 14.250 2.450 189 HD21 ASN 22 1HD2 ASN 22 8.512 13.680 2.847 190 HD22 ASN 22 2HD2 ASN 22 9.737 14.888 2.974 191 H ASN 23 HN ASN 23 5.883 11.928 0.132 192 HA ASN 23 HA ASN 23 6.788 9.904 0.321 193 HB2 ASN 23 2HB ASN 23 9.427 11.099 -0.626 194 HB3 ASN 23 1HB ASN 23 9.003 9.385 -0.607 195 HD21 ASN 23 1HD2 ASN 23 9.834 10.824 -2.874 196 HD22 ASN 23 2HD2 ASN 23 8.536 10.843 -4.018 197 H GLY 24 HN GLY 24 6.724 11.837 2.421 198 HA2 GLY 24 2HA GLY 24 8.884 11.485 4.260 199 HA3 GLY 24 1HA GLY 24 7.300 12.164 4.604 200 H THR 25 HN THR 25 8.095 10.776 6.584 201 HA THR 25 HA THR 25 6.253 8.582 6.757 202 HB THR 25 HB THR 25 8.146 7.433 5.587 203 HG1 THR 25 HG1 THR 25 8.272 6.110 7.988 204 HG21 THR 25 3HG2 THR 25 10.253 6.952 6.768 205 HG22 THR 25 1HG2 THR 25 9.737 7.943 8.137 206 HG23 THR 25 2HG2 THR 25 10.053 8.692 6.572 207 H GLU 26 HN GLU 26 6.234 7.536 8.896 208 HA GLU 26 HA GLU 26 7.464 9.118 11.073 209 HB2 GLU 26 2HB GLU 26 5.881 8.061 12.588 210 HB3 GLU 26 1HB GLU 26 4.962 8.667 11.220 211 HG2 GLU 26 2HG GLU 26 4.676 6.458 10.317 212 HG3 GLU 26 1HG GLU 26 5.845 5.778 11.437 213 HA PRO 27 HA PRO 27 9.753 5.215 12.070 214 HB2 PRO 27 2HB PRO 27 10.333 6.565 14.661 215 HB3 PRO 27 1HB PRO 27 11.465 5.931 13.462 216 HG2 PRO 27 2HG PRO 27 11.163 8.596 13.866 217 HG3 PRO 27 1HG PRO 27 11.525 7.929 12.259 218 HD2 PRO 27 2HD PRO 27 8.857 8.807 13.389 219 HD3 PRO 27 1HD PRO 27 9.569 9.139 11.790 220 HA PRO 28 HA PRO 28 5.920 3.697 13.895 221 HB2 PRO 28 2HB PRO 28 7.570 1.488 15.118 222 HB3 PRO 28 1HB PRO 28 6.132 1.387 14.086 223 HG2 PRO 28 2HG PRO 28 8.544 0.860 13.071 224 HG3 PRO 28 1HG PRO 28 7.352 1.767 12.121 225 HD2 PRO 28 2HD PRO 28 9.756 2.804 13.628 226 HD3 PRO 28 1HD PRO 28 9.140 3.275 12.027 227 H PHE 29 HN PHE 29 5.422 5.247 15.401 228 HA PHE 29 HA PHE 29 6.102 4.881 18.216 229 HB2 PHE 29 2HB PHE 29 8.048 6.167 17.381 230 HB3 PHE 29 1HB PHE 29 6.989 7.363 16.651 231 HD1 PHE 29 HD2 PHE 29 8.201 5.998 19.894 232 HD2 PHE 29 HD1 PHE 29 6.078 9.184 17.978 233 HE1 PHE 29 HE2 PHE 29 8.249 7.298 21.974 234 HE2 PHE 29 HE1 PHE 29 6.128 10.470 20.072 235 HZ PHE 29 HZ PHE 29 7.209 9.525 22.073 236 H GLN 30 HN GLN 30 4.655 6.964 15.696 237 HA GLN 30 HA GLN 30 2.693 8.312 17.165 238 HB2 GLN 30 2HB GLN 30 3.148 8.892 14.842 239 HB3 GLN 30 1HB GLN 30 2.658 7.302 14.284 240 HG2 GLN 30 2HG GLN 30 0.679 9.154 15.625 241 HG3 GLN 30 1HG GLN 30 1.062 9.324 13.918 242 HE21 GLN 30 1HE2 GLN 30 1.274 6.420 13.450 243 HE22 GLN 30 2HE2 GLN 30 -0.343 5.821 13.485 244 H ASN 31 HN ASN 31 2.573 5.103 15.597 245 HA ASN 31 HA ASN 31 0.900 4.182 17.826 246 HB2 ASN 31 2HB ASN 31 -0.449 4.623 15.598 247 HB3 ASN 31 1HB ASN 31 0.374 3.198 14.979 248 HD21 ASN 31 1HD2 ASN 31 -2.412 3.486 15.256 249 HD22 ASN 31 2HD2 ASN 31 -2.965 2.322 16.406 250 H GLU 32 HN GLU 32 1.520 2.103 18.481 251 HA GLU 32 HA GLU 32 4.121 1.148 17.536 252 HB2 GLU 32 2HB GLU 32 3.663 1.284 19.981 253 HB3 GLU 32 1HB GLU 32 2.330 0.152 19.800 254 HG2 GLU 32 2HG GLU 32 3.855 -1.638 19.190 255 HG3 GLU 32 1HG GLU 32 5.220 -0.520 19.187 256 H TYR 33 HN TYR 33 0.841 0.561 17.009 257 HA TYR 33 HA TYR 33 0.302 -2.090 16.767 258 HB2 TYR 33 2HB TYR 33 -1.238 -0.071 16.588 259 HB3 TYR 33 1HB TYR 33 -0.720 0.113 14.920 260 HD1 TYR 33 HD1 TYR 33 -1.898 -2.754 17.059 261 HD2 TYR 33 HD2 TYR 33 -2.417 -0.531 13.439 262 HE1 TYR 33 HE1 TYR 33 -3.796 -4.185 16.455 263 HE2 TYR 33 HE2 TYR 33 -4.308 -1.969 12.828 264 HH TYR 33 HH TYR 33 -5.826 -4.050 15.011 265 H TRP 34 HN TRP 34 2.121 -0.094 14.512 266 HA TRP 34 HA TRP 34 1.880 -1.720 12.170 267 HB2 TRP 34 2HB TRP 34 4.243 0.121 12.693 268 HB3 TRP 34 1HB TRP 34 3.459 -0.247 11.161 269 HD1 TRP 34 HD1 TRP 34 3.905 2.622 13.116 270 HE1 TRP 34 HE1 TRP 34 1.945 4.275 13.036 271 HE3 TRP 34 HE3 TRP 34 0.236 -0.515 11.313 272 HZ2 TRP 34 HZ2 TRP 34 -0.794 4.262 12.342 273 HZ3 TRP 34 HZ3 TRP 34 -2.033 0.396 10.984 274 HH2 TRP 34 HH2 TRP 34 -2.535 2.739 11.490 275 H ASP 35 HN ASP 35 3.402 -2.454 15.033 276 HA ASP 35 HA ASP 35 5.828 -3.695 14.312 277 HB2 ASP 35 2HB ASP 35 5.775 -4.683 16.517 278 HB3 ASP 35 1HB ASP 35 5.144 -3.045 16.657 279 H HIS 36 HN HIS 36 2.492 -4.809 14.162 280 HA HIS 36 HA HIS 36 2.886 -7.561 14.653 281 HB2 HIS 36 2HB HIS 36 0.672 -6.127 13.188 282 HB3 HIS 36 1HB HIS 36 0.639 -7.866 13.428 283 HD1 HIS 36 HD1 HIS 36 1.017 -4.767 15.625 284 HD2 HIS 36 HD2 HIS 36 -0.713 -8.543 15.664 285 HE1 HIS 36 HE1 HIS 36 -0.282 -4.888 17.765 286 HE2 HIS 36 HE2 HIS 36 -1.399 -7.145 17.730 287 H LYS 37 HN LYS 37 3.106 -9.324 13.519 288 HA LYS 37 HA LYS 37 3.735 -9.276 10.627 289 HB2 LYS 37 2HB LYS 37 5.318 -11.160 11.073 290 HB3 LYS 37 1HB LYS 37 5.806 -9.661 11.839 291 HG2 LYS 37 2HG LYS 37 4.301 -11.755 13.428 292 HG3 LYS 37 1HG LYS 37 6.034 -11.927 13.143 293 HD2 LYS 37 2HD LYS 37 6.488 -9.816 14.268 294 HD3 LYS 37 1HD LYS 37 4.762 -9.479 14.431 295 HE2 LYS 37 2HE LYS 37 6.175 -11.832 15.738 296 HE3 LYS 37 1HE LYS 37 5.840 -10.298 16.541 297 HZ1 LYS 37 3HZ LYS 37 4.164 -11.908 17.090 298 HZ2 LYS 37 1HZ LYS 37 3.819 -12.182 15.458 299 HZ3 LYS 37 2HZ LYS 37 3.466 -10.685 16.155 300 H GLU 38 HN GLU 38 1.202 -9.631 11.886 301 HA GLU 38 HA GLU 38 0.323 -12.316 12.096 302 HB2 GLU 38 2HB GLU 38 -2.016 -11.167 11.701 303 HB3 GLU 38 1HB GLU 38 -1.114 -10.796 13.155 304 HG2 GLU 38 2HG GLU 38 -2.251 -8.832 12.002 305 HG3 GLU 38 1HG GLU 38 -0.559 -8.618 12.419 306 H GLU 39 HN GLU 39 -1.681 -12.990 10.630 307 HA GLU 39 HA GLU 39 -1.071 -12.550 7.769 308 HB2 GLU 39 2HB GLU 39 -2.489 -14.524 7.346 309 HB3 GLU 39 1HB GLU 39 -1.141 -14.905 8.409 310 HG2 GLU 39 2HG GLU 39 -2.561 -15.032 10.329 311 HG3 GLU 39 1HG GLU 39 -3.919 -14.322 9.461 312 H GLY 40 HN GLY 40 -2.788 -12.036 6.353 313 HA2 GLY 40 2HA GLY 40 -5.357 -11.381 6.521 314 HA3 GLY 40 1HA GLY 40 -4.655 -10.081 7.487 315 H LEU 41 HN LEU 41 -4.858 -8.303 6.157 316 HA LEU 41 HA LEU 41 -3.212 -8.283 3.703 317 HB2 LEU 41 2HB LEU 41 -6.103 -7.381 3.933 318 HB3 LEU 41 1HB LEU 41 -5.043 -6.798 2.652 319 HG LEU 41 HG LEU 41 -5.707 -9.736 3.077 320 HD11 LEU 41 1HD1 LEU 41 -6.882 -7.778 1.114 321 HD12 LEU 41 2HD1 LEU 41 -7.700 -8.464 2.516 322 HD13 LEU 41 3HD1 LEU 41 -7.205 -9.510 1.187 323 HD21 LEU 41 3HD2 LEU 41 -4.390 -8.300 0.746 324 HD22 LEU 41 1HD2 LEU 41 -4.828 -10.017 0.802 325 HD23 LEU 41 2HD2 LEU 41 -3.601 -9.386 1.895 326 H TYR 42 HN TYR 42 -2.425 -6.281 3.128 327 HA TYR 42 HA TYR 42 -2.576 -4.126 5.165 328 HB2 TYR 42 2HB TYR 42 -0.388 -4.826 3.165 329 HB3 TYR 42 1HB TYR 42 -0.466 -3.253 3.960 330 HD1 TYR 42 HD2 TYR 42 -0.050 -6.904 4.577 331 HD2 TYR 42 HD1 TYR 42 0.231 -2.971 6.238 332 HE1 TYR 42 HE2 TYR 42 1.111 -7.812 6.546 333 HE2 TYR 42 HE1 TYR 42 1.392 -3.874 8.197 334 HH TYR 42 HH TYR 42 1.516 -6.134 9.398 335 H VAL 43 HN VAL 43 -3.697 -2.434 4.631 336 HA VAL 43 HA VAL 43 -4.565 -1.995 1.845 337 HB VAL 43 HB VAL 43 -6.855 -1.719 2.523 338 HG11 VAL 43 1HG1 VAL 43 -6.056 -4.085 2.292 339 HG12 VAL 43 2HG1 VAL 43 -7.483 -3.923 3.322 340 HG13 VAL 43 3HG1 VAL 43 -5.891 -4.165 4.047 341 HG21 VAL 43 3HG2 VAL 43 -5.990 -1.959 5.436 342 HG22 VAL 43 1HG2 VAL 43 -7.665 -1.868 4.874 343 HG23 VAL 43 2HG2 VAL 43 -6.577 -0.499 4.633 344 H ASP 44 HN ASP 44 -5.401 0.177 1.478 345 HA ASP 44 HA ASP 44 -3.904 2.256 2.804 346 HB2 ASP 44 2HB ASP 44 -4.329 2.113 0.277 347 HB3 ASP 44 1HB ASP 44 -5.998 2.541 0.600 348 H ILE 45 HN ILE 45 -4.687 2.893 4.727 349 HA ILE 45 HA ILE 45 -6.943 2.109 6.006 350 HB ILE 45 HB ILE 45 -5.751 4.854 6.596 351 HG12 ILE 45 2HG1 ILE 45 -4.656 2.180 7.545 352 HG13 ILE 45 1HG1 ILE 45 -3.913 3.201 6.328 353 HG21 ILE 45 1HG2 ILE 45 -6.318 4.355 8.956 354 HG22 ILE 45 2HG2 ILE 45 -7.020 2.811 8.470 355 HG23 ILE 45 3HG2 ILE 45 -7.753 4.324 7.929 356 HD11 ILE 45 3HD1 ILE 45 -2.783 3.415 8.446 357 HD12 ILE 45 1HD1 ILE 45 -4.285 3.900 9.240 358 HD13 ILE 45 2HD1 ILE 45 -3.553 4.942 8.013 359 H VAL 46 HN VAL 46 -6.698 5.002 4.000 360 HA VAL 46 HA VAL 46 -9.194 6.223 4.607 361 HB VAL 46 HB VAL 46 -8.855 7.415 2.367 362 HG11 VAL 46 1HG1 VAL 46 -6.860 8.698 3.117 363 HG12 VAL 46 2HG1 VAL 46 -6.481 7.435 4.289 364 HG13 VAL 46 3HG1 VAL 46 -7.963 8.380 4.458 365 HG21 VAL 46 3HG2 VAL 46 -6.712 7.088 1.154 366 HG22 VAL 46 1HG2 VAL 46 -7.640 5.578 1.166 367 HG23 VAL 46 2HG2 VAL 46 -6.264 5.773 2.252 368 H SER 47 HN SER 47 -8.219 4.014 2.023 369 HA SER 47 HA SER 47 -10.818 4.039 0.713 370 HB2 SER 47 2HB SER 47 -8.621 4.205 -0.521 371 HB3 SER 47 1HB SER 47 -8.242 2.560 -0.017 372 HG SER 47 HG SER 47 -9.113 2.582 -2.085 373 H GLY 48 HN GLY 48 -9.085 2.099 2.946 374 HA2 GLY 48 2HA GLY 48 -9.312 0.036 3.898 375 HA3 GLY 48 1HA GLY 48 -11.014 0.163 3.481 376 H LYS 49 HN LYS 49 -8.415 0.122 1.096 377 HA LYS 49 HA LYS 49 -9.593 -2.364 -0.037 378 HB2 LYS 49 2HB LYS 49 -8.650 0.161 -1.429 379 HB3 LYS 49 1HB LYS 49 -8.821 -1.360 -2.297 380 HG2 LYS 49 2HG LYS 49 -11.210 -1.435 -1.764 381 HG3 LYS 49 1HG LYS 49 -11.065 0.046 -0.814 382 HD2 LYS 49 2HD LYS 49 -12.028 0.499 -3.033 383 HD3 LYS 49 1HD LYS 49 -10.473 1.307 -2.855 384 HE2 LYS 49 2HE LYS 49 -10.709 0.310 -5.085 385 HE3 LYS 49 1HE LYS 49 -9.403 -0.466 -4.193 386 HZ1 LYS 49 3HZ LYS 49 -10.665 -2.135 -5.276 387 HZ2 LYS 49 1HZ LYS 49 -12.126 -1.534 -4.672 388 HZ3 LYS 49 2HZ LYS 49 -11.013 -2.246 -3.625 389 HA PRO 50 HA PRO 50 -5.648 -4.166 0.714 390 HB2 PRO 50 2HB PRO 50 -5.798 -6.411 -0.850 391 HB3 PRO 50 1HB PRO 50 -6.753 -6.185 0.618 392 HG2 PRO 50 2HG PRO 50 -7.564 -5.726 -2.254 393 HG3 PRO 50 1HG PRO 50 -8.448 -6.585 -0.971 394 HD2 PRO 50 2HD PRO 50 -9.037 -4.030 -1.631 395 HD3 PRO 50 1HD PRO 50 -9.152 -4.606 0.048 396 H LEU 51 HN LEU 51 -3.682 -3.564 0.101 397 HA LEU 51 HA LEU 51 -3.155 -2.815 -2.706 398 HB2 LEU 51 2HB LEU 51 -1.559 -2.126 -0.201 399 HB3 LEU 51 1HB LEU 51 -1.302 -1.470 -1.816 400 HG LEU 51 HG LEU 51 -3.637 -0.945 0.054 401 HD11 LEU 51 1HD1 LEU 51 -2.941 1.394 -0.117 402 HD12 LEU 51 2HD1 LEU 51 -1.591 0.936 -1.162 403 HD13 LEU 51 3HD1 LEU 51 -1.652 0.369 0.510 404 HD21 LEU 51 3HD2 LEU 51 -3.444 -0.138 -2.873 405 HD22 LEU 51 1HD2 LEU 51 -4.667 0.427 -1.724 406 HD23 LEU 51 2HD2 LEU 51 -4.592 -1.278 -2.164 407 H PHE 52 HN PHE 52 -2.072 -4.852 -0.114 408 HA PHE 52 HA PHE 52 -0.894 -6.738 -1.922 409 HB2 PHE 52 2HB PHE 52 1.424 -6.775 -0.997 410 HB3 PHE 52 1HB PHE 52 1.060 -5.303 -1.880 411 HD1 PHE 52 HD2 PHE 52 0.750 -3.140 -0.650 412 HD2 PHE 52 HD1 PHE 52 1.994 -6.707 1.365 413 HE1 PHE 52 HE2 PHE 52 1.593 -1.798 1.224 414 HE2 PHE 52 HE1 PHE 52 2.836 -5.351 3.231 415 HZ PHE 52 HZ PHE 52 2.644 -2.898 3.156 416 H THR 53 HN THR 53 0.019 -8.665 -0.721 417 HA THR 53 HA THR 53 -2.050 -9.242 1.272 418 HB THR 53 HB THR 53 -1.813 -11.598 0.621 419 HG1 THR 53 HG1 THR 53 0.592 -10.814 -0.255 420 HG21 THR 53 3HG2 THR 53 -3.292 -10.209 -0.813 421 HG22 THR 53 1HG2 THR 53 -2.510 -11.484 -1.749 422 HG23 THR 53 2HG2 THR 53 -1.920 -9.825 -1.855 423 H SER 54 HN SER 54 -1.621 -10.205 3.196 424 HA SER 54 HA SER 54 1.056 -10.115 4.278 425 HB2 SER 54 2HB SER 54 -1.007 -9.533 5.617 426 HB3 SER 54 1HB SER 54 -1.447 -11.242 5.587 427 HG SER 54 HG SER 54 0.418 -11.716 6.729 428 H LYS 55 HN LYS 55 -0.853 -12.401 2.608 429 HA LYS 55 HA LYS 55 0.117 -14.887 3.148 430 HB2 LYS 55 2HB LYS 55 -1.458 -14.659 1.396 431 HB3 LYS 55 1HB LYS 55 -0.495 -13.449 0.562 432 HG2 LYS 55 2HG LYS 55 1.106 -15.165 -0.148 433 HG3 LYS 55 1HG LYS 55 0.207 -16.398 0.739 434 HD2 LYS 55 2HD LYS 55 -0.265 -16.429 -1.704 435 HD3 LYS 55 1HD LYS 55 -1.714 -16.133 -0.743 436 HE2 LYS 55 2HE LYS 55 -1.524 -13.704 -1.248 437 HE3 LYS 55 1HE LYS 55 -0.094 -14.031 -2.233 438 HZ1 LYS 55 3HZ LYS 55 -1.387 -15.236 -3.771 439 HZ2 LYS 55 1HZ LYS 55 -2.229 -13.806 -3.466 440 HZ3 LYS 55 2HZ LYS 55 -2.744 -15.250 -2.761 441 H ASP 56 HN ASP 56 1.850 -12.319 1.342 442 HA ASP 56 HA ASP 56 4.367 -13.870 1.557 443 HB2 ASP 56 2HB ASP 56 5.020 -13.112 -0.690 444 HB3 ASP 56 1HB ASP 56 3.534 -14.046 -0.746 445 H LYS 57 HN LYS 57 3.383 -11.877 3.343 446 HA LYS 57 HA LYS 57 4.774 -9.388 2.893 447 HB2 LYS 57 2HB LYS 57 4.109 -8.779 5.160 448 HB3 LYS 57 1HB LYS 57 2.745 -9.484 4.312 449 HG2 LYS 57 2HG LYS 57 2.429 -10.843 6.086 450 HG3 LYS 57 1HG LYS 57 3.902 -11.683 5.635 451 HD2 LYS 57 2HD LYS 57 4.051 -11.123 7.965 452 HD3 LYS 57 1HD LYS 57 5.190 -10.085 7.100 453 HE2 LYS 57 2HE LYS 57 3.989 -8.801 8.785 454 HE3 LYS 57 1HE LYS 57 3.529 -8.241 7.178 455 HZ1 LYS 57 3HZ LYS 57 1.483 -9.530 7.366 456 HZ2 LYS 57 1HZ LYS 57 1.611 -8.446 8.654 457 HZ3 LYS 57 2HZ LYS 57 1.937 -10.089 8.890 458 H PHE 58 HN PHE 58 6.721 -8.757 3.661 459 HA PHE 58 HA PHE 58 8.316 -10.553 5.390 460 HB2 PHE 58 2HB PHE 58 9.281 -8.943 2.975 461 HB3 PHE 58 1HB PHE 58 10.367 -9.686 4.144 462 HD1 PHE 58 HD1 PHE 58 10.611 -12.152 4.247 463 HD2 PHE 58 HD2 PHE 58 8.106 -10.323 1.300 464 HE1 PHE 58 HE1 PHE 58 10.532 -14.261 2.992 465 HE2 PHE 58 HE2 PHE 58 8.038 -12.444 0.059 466 HZ PHE 58 HZ PHE 58 9.244 -14.413 0.903 467 H ASP 59 HN ASP 59 10.133 -9.235 6.454 468 HA ASP 59 HA ASP 59 8.950 -7.011 7.834 469 HB2 ASP 59 2HB ASP 59 10.943 -6.949 9.192 470 HB3 ASP 59 1HB ASP 59 10.535 -8.640 8.939 471 H SER 60 HN SER 60 9.860 -4.882 7.957 472 HA SER 60 HA SER 60 10.274 -3.676 5.426 473 HB2 SER 60 2HB SER 60 10.593 -2.523 8.228 474 HB3 SER 60 1HB SER 60 10.508 -1.579 6.740 475 HG SER 60 HG SER 60 8.449 -3.401 7.144 476 H GLN 61 HN GLN 61 12.080 -3.995 4.305 477 HA GLN 61 HA GLN 61 14.616 -4.627 5.481 478 HB2 GLN 61 2HB GLN 61 13.916 -4.016 2.578 479 HB3 GLN 61 1HB GLN 61 15.424 -4.737 3.136 480 HG2 GLN 61 2HG GLN 61 12.660 -5.971 3.361 481 HG3 GLN 61 1HG GLN 61 13.907 -6.427 2.203 482 HE21 GLN 61 1HE2 GLN 61 12.502 -7.972 4.352 483 HE22 GLN 61 2HE2 GLN 61 13.760 -8.669 5.311 484 H CYS 62 HN CYS 62 13.137 -1.722 4.260 485 HA CYS 62 HA CYS 62 15.613 -0.142 4.715 486 HB2 CYS 62 2HB CYS 62 13.360 0.443 2.730 487 HB3 CYS 62 1HB CYS 62 14.849 1.369 2.936 488 HG CYS 62 HG CYS 62 15.500 -1.814 2.303 489 H GLY 63 HN GLY 63 12.172 -0.497 5.342 490 HA2 GLY 63 2HA GLY 63 11.824 0.780 7.648 491 HA3 GLY 63 1HA GLY 63 11.896 2.168 6.563 492 H TRP 64 HN TRP 64 10.589 1.005 4.350 493 HA TRP 64 HA TRP 64 7.792 0.798 5.273 494 HB2 TRP 64 2HB TRP 64 8.985 1.306 2.507 495 HB3 TRP 64 1HB TRP 64 7.260 1.134 2.808 496 HD1 TRP 64 HD1 TRP 64 8.013 3.023 5.692 497 HE1 TRP 64 HE1 TRP 64 7.881 5.543 5.321 498 HE3 TRP 64 HE3 TRP 64 8.187 3.131 0.567 499 HZ2 TRP 64 HZ2 TRP 64 7.854 7.371 3.179 500 HZ3 TRP 64 HZ3 TRP 64 8.088 5.320 -0.567 501 HH2 TRP 64 HH2 TRP 64 7.924 7.400 0.717 502 HA PRO 65 HA PRO 65 7.599 -3.635 4.223 503 HB2 PRO 65 2HB PRO 65 4.816 -3.097 3.242 504 HB3 PRO 65 1HB PRO 65 5.374 -4.250 4.461 505 HG2 PRO 65 2HG PRO 65 4.067 -2.020 5.180 506 HG3 PRO 65 1HG PRO 65 5.414 -2.636 6.161 507 HD2 PRO 65 2HD PRO 65 5.400 -0.355 4.176 508 HD3 PRO 65 1HD PRO 65 6.176 -0.453 5.775 509 H SER 66 HN SER 66 8.600 -4.403 2.421 510 HA SER 66 HA SER 66 7.860 -3.359 -0.239 511 HB2 SER 66 2HB SER 66 10.250 -3.186 -0.840 512 HB3 SER 66 1HB SER 66 9.879 -2.159 0.543 513 HG SER 66 HG SER 66 11.203 -4.674 0.558 514 H PHE 67 HN PHE 67 7.563 -4.871 -1.708 515 HA PHE 67 HA PHE 67 9.207 -7.220 -1.950 516 HB2 PHE 67 2HB PHE 67 7.417 -7.950 -0.294 517 HB3 PHE 67 1HB PHE 67 6.202 -7.628 -1.525 518 HD1 PHE 67 HD1 PHE 67 9.494 -9.440 -1.392 519 HD2 PHE 67 HD2 PHE 67 5.364 -9.607 -2.490 520 HE1 PHE 67 HE1 PHE 67 9.803 -11.709 -2.262 521 HE2 PHE 67 HE2 PHE 67 5.695 -11.884 -3.343 522 HZ PHE 67 HZ PHE 67 7.913 -12.937 -3.242 523 H THR 68 HN THR 68 7.867 -8.537 -4.010 524 HA THR 68 HA THR 68 8.015 -6.459 -6.083 525 HB THR 68 HB THR 68 9.596 -8.311 -6.328 526 HG1 THR 68 HG1 THR 68 8.703 -7.375 -8.211 527 HG21 THR 68 3HG2 THR 68 7.181 -10.154 -6.549 528 HG22 THR 68 1HG2 THR 68 8.325 -10.121 -5.198 529 HG23 THR 68 2HG2 THR 68 8.867 -10.613 -6.804 530 H LYS 69 HN LYS 69 5.618 -8.151 -4.413 531 HA LYS 69 HA LYS 69 3.832 -8.476 -6.761 532 HB2 LYS 69 2HB LYS 69 4.561 -10.554 -5.384 533 HB3 LYS 69 1HB LYS 69 3.532 -9.943 -4.101 534 HG2 LYS 69 2HG LYS 69 2.552 -10.670 -6.888 535 HG3 LYS 69 1HG LYS 69 2.534 -11.777 -5.520 536 HD2 LYS 69 2HD LYS 69 0.953 -9.183 -5.766 537 HD3 LYS 69 1HD LYS 69 0.307 -10.818 -5.920 538 HE2 LYS 69 2HE LYS 69 1.533 -9.650 -3.391 539 HE3 LYS 69 1HE LYS 69 -0.194 -9.806 -3.716 540 HZ1 LYS 69 3HZ LYS 69 0.068 -12.200 -3.814 541 HZ2 LYS 69 1HZ LYS 69 0.637 -11.607 -2.333 542 HZ3 LYS 69 2HZ LYS 69 1.733 -12.057 -3.535 543 HA PRO 70 HA PRO 70 1.258 -5.489 -4.383 544 HB2 PRO 70 2HB PRO 70 0.670 -3.759 -6.338 545 HB3 PRO 70 1HB PRO 70 2.263 -3.697 -5.558 546 HG2 PRO 70 2HG PRO 70 1.503 -4.898 -8.224 547 HG3 PRO 70 1HG PRO 70 2.931 -3.929 -7.803 548 HD2 PRO 70 2HD PRO 70 2.872 -6.736 -7.929 549 HD3 PRO 70 1HD PRO 70 4.098 -5.780 -7.064 550 H ILE 71 HN ILE 71 -1.082 -4.972 -4.943 551 HA ILE 71 HA ILE 71 -2.353 -7.234 -6.354 552 HB ILE 71 HB ILE 71 -3.460 -5.194 -4.366 553 HG12 ILE 71 2HG1 ILE 71 -3.207 -8.234 -4.210 554 HG13 ILE 71 1HG1 ILE 71 -2.096 -7.098 -3.459 555 HG21 ILE 71 1HG2 ILE 71 -5.647 -6.340 -4.538 556 HG22 ILE 71 2HG2 ILE 71 -5.037 -7.312 -5.878 557 HG23 ILE 71 3HG2 ILE 71 -5.197 -5.562 -6.058 558 HD11 ILE 71 3HD1 ILE 71 -3.620 -8.044 -1.848 559 HD12 ILE 71 1HD1 ILE 71 -5.004 -7.446 -2.759 560 HD13 ILE 71 2HD1 ILE 71 -3.886 -6.307 -2.005 561 H GLU 72 HN GLU 72 -2.862 -6.901 -8.394 562 HA GLU 72 HA GLU 72 -2.106 -4.490 -9.705 563 HB2 GLU 72 2HB GLU 72 -1.780 -6.777 -10.638 564 HB3 GLU 72 1HB GLU 72 -3.523 -6.968 -10.785 565 HG2 GLU 72 2HG GLU 72 -3.573 -5.120 -12.436 566 HG3 GLU 72 1HG GLU 72 -1.822 -4.952 -12.287 567 H GLU 73 HN GLU 73 -5.096 -5.599 -8.453 568 HA GLU 73 HA GLU 73 -6.904 -4.127 -10.167 569 HB2 GLU 73 2HB GLU 73 -7.334 -5.616 -7.541 570 HB3 GLU 73 1HB GLU 73 -8.631 -4.950 -8.537 571 HG2 GLU 73 2HG GLU 73 -8.108 -6.461 -10.351 572 HG3 GLU 73 1HG GLU 73 -6.660 -7.033 -9.518 573 H GLU 74 HN GLU 74 -5.719 -3.797 -6.788 574 HA GLU 74 HA GLU 74 -7.201 -1.299 -6.389 575 HB2 GLU 74 2HB GLU 74 -5.578 -3.156 -4.625 576 HB3 GLU 74 1HB GLU 74 -5.907 -1.518 -4.084 577 HG2 GLU 74 2HG GLU 74 -7.488 -3.104 -3.138 578 HG3 GLU 74 1HG GLU 74 -8.289 -1.903 -4.143 579 H VAL 75 HN VAL 75 -4.081 -2.362 -7.286 580 HA VAL 75 HA VAL 75 -2.790 0.212 -6.686 581 HB VAL 75 HB VAL 75 -1.617 -2.573 -7.128 582 HG11 VAL 75 1HG1 VAL 75 -0.128 -0.945 -8.144 583 HG12 VAL 75 2HG1 VAL 75 0.590 -1.552 -6.651 584 HG13 VAL 75 3HG1 VAL 75 -0.160 0.048 -6.685 585 HG21 VAL 75 3HG2 VAL 75 -1.655 -0.803 -4.648 586 HG22 VAL 75 1HG2 VAL 75 -0.863 -2.380 -4.773 587 HG23 VAL 75 2HG2 VAL 75 -2.621 -2.262 -4.900 588 H GLU 76 HN GLU 76 -2.248 1.458 -8.355 589 HA GLU 76 HA GLU 76 -2.537 0.404 -11.119 590 HB2 GLU 76 2HB GLU 76 -4.291 2.036 -10.374 591 HB3 GLU 76 1HB GLU 76 -3.029 3.232 -10.088 592 HG2 GLU 76 2HG GLU 76 -2.444 3.153 -12.505 593 HG3 GLU 76 1HG GLU 76 -3.759 2.000 -12.759 594 H GLU 77 HN GLU 77 -0.706 0.467 -12.307 595 HA GLU 77 HA GLU 77 1.708 1.668 -11.144 596 HB2 GLU 77 2HB GLU 77 2.901 0.329 -12.921 597 HB3 GLU 77 1HB GLU 77 1.945 -0.640 -11.804 598 HG2 GLU 77 2HG GLU 77 0.174 -0.886 -13.466 599 HG3 GLU 77 1HG GLU 77 1.042 0.166 -14.584 600 H LYS 78 HN LYS 78 2.577 3.511 -11.902 601 HA LYS 78 HA LYS 78 1.712 4.631 -14.516 602 HB2 LYS 78 2HB LYS 78 2.183 6.204 -11.935 603 HB3 LYS 78 1HB LYS 78 1.692 6.877 -13.489 604 HG2 LYS 78 2HG LYS 78 0.040 4.985 -11.780 605 HG3 LYS 78 1HG LYS 78 -0.171 6.734 -11.862 606 HD2 LYS 78 2HD LYS 78 -0.417 4.971 -14.326 607 HD3 LYS 78 1HD LYS 78 -1.775 5.241 -13.237 608 HE2 LYS 78 2HE LYS 78 -1.985 6.772 -15.075 609 HE3 LYS 78 1HE LYS 78 -1.541 7.708 -13.653 610 HZ1 LYS 78 3HZ LYS 78 0.296 6.875 -15.824 611 HZ2 LYS 78 1HZ LYS 78 0.721 7.781 -14.465 612 HZ3 LYS 78 2HZ LYS 78 -0.345 8.422 -15.602 613 H LEU 79 HN LEU 79 3.520 4.409 -15.734 614 HA LEU 79 HA LEU 79 6.194 4.449 -14.776 615 HB2 LEU 79 2HB LEU 79 5.460 3.259 -16.861 616 HB3 LEU 79 1HB LEU 79 5.189 4.812 -17.632 617 HG LEU 79 HG LEU 79 7.650 5.318 -17.372 618 HD11 LEU 79 1HD1 LEU 79 8.153 3.859 -15.478 619 HD12 LEU 79 2HD1 LEU 79 9.219 3.523 -16.840 620 HD13 LEU 79 3HD1 LEU 79 7.874 2.434 -16.483 621 HD21 LEU 79 3HD2 LEU 79 7.015 2.809 -18.945 622 HD22 LEU 79 1HD2 LEU 79 8.414 3.860 -19.193 623 HD23 LEU 79 2HD2 LEU 79 6.789 4.470 -19.496 624 H ASP 80 HN ASP 80 7.648 6.082 -14.766 625 HA ASP 80 HA ASP 80 6.966 8.784 -15.618 626 HB2 ASP 80 2HB ASP 80 6.178 8.593 -13.243 627 HB3 ASP 80 1HB ASP 80 7.798 8.114 -12.753 628 H THR 81 HN THR 81 8.668 9.517 -16.698 629 HA THR 81 HA THR 81 11.415 8.736 -15.911 630 HB THR 81 HB THR 81 12.056 9.212 -18.304 631 HG1 THR 81 HG1 THR 81 10.418 10.488 -19.060 632 HG21 THR 81 3HG2 THR 81 9.915 7.074 -17.963 633 HG22 THR 81 1HG2 THR 81 11.632 6.885 -17.585 634 HG23 THR 81 2HG2 THR 81 11.115 7.130 -19.255 635 H SER 82 HN SER 82 11.367 10.412 -14.362 636 HA SER 82 HA SER 82 10.664 13.084 -14.839 637 HB2 SER 82 2HB SER 82 10.821 12.139 -12.566 638 HB3 SER 82 1HB SER 82 12.570 11.981 -12.726 639 HG SER 82 HG SER 82 11.141 14.426 -12.917 640 H HIS 83 HN HIS 83 13.970 11.677 -14.605 641 HA HIS 83 HA HIS 83 14.983 13.586 -16.603 642 HB2 HIS 83 2HB HIS 83 16.222 13.328 -13.816 643 HB3 HIS 83 1HB HIS 83 16.966 14.170 -15.173 644 HD1 HIS 83 HD1 HIS 83 14.617 14.647 -12.408 645 HD2 HIS 83 HD2 HIS 83 15.470 16.543 -16.005 646 HE1 HIS 83 HE1 HIS 83 13.511 16.895 -12.259 647 HE2 HIS 83 HE2 HIS 83 14.161 18.076 -14.387 648 H GLY 84 HN GLY 84 14.890 11.539 -17.773 649 HA2 GLY 84 2HA GLY 84 16.252 10.219 -19.085 650 HA3 GLY 84 1HA GLY 84 17.579 10.489 -17.975 651 H MET 85 HN MET 85 15.608 9.479 -15.789 652 HA MET 85 HA MET 85 16.533 6.703 -15.912 653 HB2 MET 85 2HB MET 85 17.068 8.051 -13.898 654 HB3 MET 85 1HB MET 85 15.368 8.394 -13.647 655 HG2 MET 85 2HG MET 85 15.062 5.852 -13.368 656 HG3 MET 85 1HG MET 85 16.818 5.781 -13.227 657 HE1 MET 85 3HE MET 85 17.325 8.175 -10.057 658 HE2 MET 85 1HE MET 85 17.304 8.673 -11.750 659 HE3 MET 85 2HE MET 85 18.163 7.210 -11.265 660 H ILE 86 HN ILE 86 15.151 5.002 -16.075 661 HA ILE 86 HA ILE 86 12.278 5.280 -16.333 662 HB ILE 86 HB ILE 86 13.997 2.764 -16.074 663 HG12 ILE 86 2HG1 ILE 86 14.501 4.054 -18.141 664 HG13 ILE 86 1HG1 ILE 86 13.770 2.498 -18.505 665 HG21 ILE 86 1HG2 ILE 86 11.066 2.968 -16.871 666 HG22 ILE 86 2HG2 ILE 86 11.697 2.285 -15.372 667 HG23 ILE 86 3HG2 ILE 86 12.038 1.492 -16.910 668 HD11 ILE 86 3HD1 ILE 86 11.619 3.634 -18.893 669 HD12 ILE 86 1HD1 ILE 86 12.906 4.187 -19.963 670 HD13 ILE 86 2HD1 ILE 86 12.414 5.182 -18.596 671 H ARG 87 HN ARG 87 10.865 5.214 -14.646 672 HA ARG 87 HA ARG 87 11.322 3.650 -12.263 673 HB2 ARG 87 2HB ARG 87 12.448 5.885 -11.764 674 HB3 ARG 87 1HB ARG 87 10.889 6.673 -12.003 675 HG2 ARG 87 2HG ARG 87 9.959 5.378 -10.110 676 HG3 ARG 87 1HG ARG 87 11.529 4.606 -9.869 677 HD2 ARG 87 2HD ARG 87 10.956 7.575 -9.618 678 HD3 ARG 87 1HD ARG 87 11.138 6.444 -8.276 679 HE ARG 87 HE ARG 87 13.444 6.430 -9.967 680 HH11 ARG 87 1HH1 ARG 87 11.904 8.250 -7.383 681 HH12 ARG 87 2HH1 ARG 87 13.384 8.979 -6.847 682 HH21 ARG 87 1HH2 ARG 87 15.383 7.377 -9.235 683 HH22 ARG 87 2HH2 ARG 87 15.356 8.492 -7.901 684 H THR 88 HN THR 88 9.283 3.422 -11.081 685 HA THR 88 HA THR 88 6.883 4.411 -12.502 686 HB THR 88 HB THR 88 7.319 1.526 -11.590 687 HG1 THR 88 HG1 THR 88 7.749 2.841 -13.917 688 HG21 THR 88 3HG2 THR 88 4.946 2.184 -11.266 689 HG22 THR 88 1HG2 THR 88 5.116 1.047 -12.606 690 HG23 THR 88 2HG2 THR 88 4.883 2.762 -12.936 691 H GLU 89 HN GLU 89 5.305 5.060 -11.188 692 HA GLU 89 HA GLU 89 5.563 4.690 -8.252 693 HB2 GLU 89 2HB GLU 89 4.259 7.004 -9.758 694 HB3 GLU 89 1HB GLU 89 4.510 6.890 -8.017 695 HG2 GLU 89 2HG GLU 89 6.914 7.076 -8.297 696 HG3 GLU 89 1HG GLU 89 6.758 7.002 -10.053 697 H VAL 90 HN VAL 90 3.709 3.995 -7.159 698 HA VAL 90 HA VAL 90 1.514 3.056 -8.904 699 HB VAL 90 HB VAL 90 0.952 1.474 -6.980 700 HG11 VAL 90 1HG1 VAL 90 3.619 1.121 -8.404 701 HG12 VAL 90 2HG1 VAL 90 2.021 0.712 -9.041 702 HG13 VAL 90 3HG1 VAL 90 2.670 -0.174 -7.661 703 HG21 VAL 90 3HG2 VAL 90 2.761 0.881 -5.396 704 HG22 VAL 90 1HG2 VAL 90 2.238 2.550 -5.164 705 HG23 VAL 90 2HG2 VAL 90 3.749 2.210 -6.010 706 H ARG 91 HN ARG 91 -0.162 4.269 -8.893 707 HA ARG 91 HA ARG 91 -1.616 5.057 -6.608 708 HB2 ARG 91 2HB ARG 91 -1.440 7.469 -6.689 709 HB3 ARG 91 1HB ARG 91 0.168 6.823 -6.457 710 HG2 ARG 91 2HG ARG 91 -0.885 7.763 -9.148 711 HG3 ARG 91 1HG ARG 91 -0.043 8.820 -8.020 712 HD2 ARG 91 2HD ARG 91 1.957 7.380 -8.156 713 HD3 ARG 91 1HD ARG 91 1.112 6.311 -9.276 714 HE ARG 91 HE ARG 91 1.208 7.982 -10.946 715 HH11 ARG 91 1HH1 ARG 91 2.768 9.150 -8.014 716 HH12 ARG 91 2HH1 ARG 91 3.865 10.184 -8.864 717 HH21 ARG 91 1HH2 ARG 91 2.611 9.398 -12.028 718 HH22 ARG 91 2HH2 ARG 91 3.752 10.341 -11.138 719 H SER 92 HN SER 92 -3.747 5.535 -7.230 720 HA SER 92 HA SER 92 -4.313 5.907 -10.102 721 HB2 SER 92 2HB SER 92 -5.669 4.269 -8.699 722 HB3 SER 92 1HB SER 92 -6.332 5.654 -7.833 723 HG SER 92 HG SER 92 -7.759 5.553 -9.387 724 H ARG 93 HN ARG 93 -6.520 7.611 -9.981 725 HA ARG 93 HA ARG 93 -4.909 10.074 -9.838 726 HB2 ARG 93 2HB ARG 93 -5.998 9.423 -11.995 727 HB3 ARG 93 1HB ARG 93 -7.573 9.690 -11.253 728 HG2 ARG 93 2HG ARG 93 -7.088 12.066 -10.965 729 HG3 ARG 93 1HG ARG 93 -5.434 11.835 -11.533 730 HD2 ARG 93 2HD ARG 93 -6.770 12.823 -13.301 731 HD3 ARG 93 1HD ARG 93 -6.314 11.182 -13.762 732 HE ARG 93 HE ARG 93 -8.585 10.481 -13.154 733 HH11 ARG 93 1HH1 ARG 93 -8.137 13.930 -13.694 734 HH12 ARG 93 2HH1 ARG 93 -9.793 14.189 -14.134 735 HH21 ARG 93 1HH2 ARG 93 -10.757 10.858 -13.704 736 HH22 ARG 93 2HH2 ARG 93 -11.268 12.456 -14.157 737 H THR 94 HN THR 94 -8.123 8.927 -8.687 738 HA THR 94 HA THR 94 -8.808 11.553 -7.635 739 HB THR 94 HB THR 94 -10.344 8.921 -7.483 740 HG1 THR 94 HG1 THR 94 -10.869 11.112 -9.208 741 HG21 THR 94 3HG2 THR 94 -12.336 10.311 -7.018 742 HG22 THR 94 1HG2 THR 94 -11.326 11.758 -6.982 743 HG23 THR 94 2HG2 THR 94 -11.125 10.510 -5.752 744 H ALA 95 HN ALA 95 -8.813 8.303 -6.047 745 HA ALA 95 HA ALA 95 -8.355 9.641 -3.422 746 HB1 ALA 95 3HB ALA 95 -9.894 7.996 -2.433 747 HB2 ALA 95 1HB ALA 95 -10.127 7.232 -4.011 748 HB3 ALA 95 2HB ALA 95 -10.698 8.880 -3.732 749 H ASP 96 HN ASP 96 -7.720 6.839 -5.440 750 HA ASP 96 HA ASP 96 -6.214 5.365 -3.445 751 HB2 ASP 96 2HB ASP 96 -6.406 4.777 -6.420 752 HB3 ASP 96 1HB ASP 96 -5.910 3.666 -5.155 753 H SER 97 HN SER 97 -5.361 8.100 -4.766 754 HA SER 97 HA SER 97 -2.849 7.792 -5.988 755 HB2 SER 97 2HB SER 97 -2.579 10.232 -5.254 756 HB3 SER 97 1HB SER 97 -4.020 9.866 -6.199 757 HG SER 97 HG SER 97 -3.854 10.895 -3.741 758 H HIS 98 HN HIS 98 -3.702 7.244 -2.746 759 HA HIS 98 HA HIS 98 -1.342 8.287 -1.460 760 HB2 HIS 98 2HB HIS 98 -3.612 6.630 -0.299 761 HB3 HIS 98 1HB HIS 98 -2.388 7.491 0.630 762 HD1 HIS 98 HD1 HIS 98 -5.736 7.846 -0.367 763 HD2 HIS 98 HD2 HIS 98 -2.504 10.449 -0.149 764 HE1 HIS 98 HE1 HIS 98 -6.740 10.148 -0.296 765 HE2 HIS 98 HE2 HIS 98 -4.752 11.700 -0.381 766 H LEU 99 HN LEU 99 -1.593 5.459 -3.185 767 HA LEU 99 HA LEU 99 -0.821 3.403 -1.457 768 HB2 LEU 99 2HB LEU 99 0.190 3.474 -4.305 769 HB3 LEU 99 1HB LEU 99 -0.277 2.078 -3.352 770 HG LEU 99 HG LEU 99 -2.146 4.154 -4.538 771 HD11 LEU 99 1HD1 LEU 99 -1.743 1.258 -5.316 772 HD12 LEU 99 2HD1 LEU 99 -1.191 2.671 -6.222 773 HD13 LEU 99 3HD1 LEU 99 -2.917 2.382 -6.014 774 HD21 LEU 99 3HD2 LEU 99 -3.062 3.359 -2.432 775 HD22 LEU 99 1HD2 LEU 99 -2.845 1.687 -2.944 776 HD23 LEU 99 2HD2 LEU 99 -3.992 2.728 -3.786 777 H GLY 100 HN GLY 100 1.522 4.763 -3.837 778 HA2 GLY 100 2HA GLY 100 3.643 5.430 -2.231 779 HA3 GLY 100 1HA GLY 100 3.733 3.673 -2.346 780 H HIS 101 HN HIS 101 5.763 3.990 -3.367 781 HA HIS 101 HA HIS 101 5.665 4.574 -6.264 782 HB2 HIS 101 2HB HIS 101 7.976 5.465 -4.458 783 HB3 HIS 101 1HB HIS 101 7.715 5.885 -6.149 784 HD1 HIS 101 HD1 HIS 101 5.996 7.778 -6.646 785 HD2 HIS 101 HD2 HIS 101 6.497 6.999 -2.603 786 HE1 HIS 101 HE1 HIS 101 4.752 9.597 -5.458 787 HE2 HIS 101 HE2 HIS 101 5.223 9.212 -3.020 788 H VAL 102 HN VAL 102 7.412 3.337 -7.447 789 HA VAL 102 HA VAL 102 8.398 1.023 -5.878 790 HB VAL 102 HB VAL 102 7.807 -0.626 -7.476 791 HG11 VAL 102 1HG1 VAL 102 5.369 1.166 -7.224 792 HG12 VAL 102 2HG1 VAL 102 5.937 0.007 -6.025 793 HG13 VAL 102 3HG1 VAL 102 5.357 -0.564 -7.587 794 HG21 VAL 102 3HG2 VAL 102 8.282 0.573 -9.572 795 HG22 VAL 102 1HG2 VAL 102 6.790 1.498 -9.392 796 HG23 VAL 102 2HG2 VAL 102 6.724 -0.250 -9.647 797 H PHE 103 HN PHE 103 10.379 0.298 -6.414 798 HA PHE 103 HA PHE 103 11.893 1.773 -8.487 799 HB2 PHE 103 2HB PHE 103 12.861 0.629 -5.828 800 HB3 PHE 103 1HB PHE 103 13.904 1.383 -7.033 801 HD1 PHE 103 HD1 PHE 103 13.840 3.828 -7.390 802 HD2 PHE 103 HD2 PHE 103 11.365 1.996 -4.419 803 HE1 PHE 103 HE1 PHE 103 13.405 6.031 -6.387 804 HE2 PHE 103 HE2 PHE 103 10.930 4.204 -3.425 805 HZ PHE 103 HZ PHE 103 11.946 6.223 -4.410 806 H ASN 104 HN ASN 104 13.404 0.646 -9.698 807 HA ASN 104 HA ASN 104 12.814 -2.174 -10.161 808 HB2 ASN 104 2HB ASN 104 13.015 -0.425 -12.026 809 HB3 ASN 104 1HB ASN 104 14.742 -0.375 -11.704 810 HD21 ASN 104 1HD2 ASN 104 12.094 -2.349 -12.914 811 HD22 ASN 104 2HD2 ASN 104 13.071 -3.495 -13.761 812 H ASP 105 HN ASP 105 14.468 -0.956 -7.823 813 HA ASP 105 HA ASP 105 17.051 -2.297 -8.034 814 HB2 ASP 105 2HB ASP 105 16.834 -0.064 -6.948 815 HB3 ASP 105 1HB ASP 105 15.763 -0.751 -5.731 816 H GLY 106 HN GLY 106 14.023 -3.391 -7.528 817 HA2 GLY 106 2HA GLY 106 14.818 -5.555 -5.653 818 HA3 GLY 106 1HA GLY 106 13.177 -4.954 -5.827 819 HA PRO 107 HA PRO 107 14.244 -8.284 -9.211 820 HB2 PRO 107 2HB PRO 107 14.281 -10.712 -7.977 821 HB3 PRO 107 1HB PRO 107 15.726 -9.688 -8.056 822 HG2 PRO 107 2HG PRO 107 13.769 -10.018 -5.778 823 HG3 PRO 107 1HG PRO 107 15.544 -10.022 -5.724 824 HD2 PRO 107 2HD PRO 107 14.042 -7.806 -5.112 825 HD3 PRO 107 1HD PRO 107 15.678 -7.700 -5.799 826 H GLY 108 HN GLY 108 12.491 -9.069 -10.350 827 HA2 GLY 108 2HA GLY 108 10.326 -10.508 -9.220 828 HA3 GLY 108 1HA GLY 108 9.856 -8.832 -9.448 829 HA PRO 109 HA PRO 109 8.817 -11.317 -13.385 830 HB2 PRO 109 2HB PRO 109 6.294 -9.719 -12.892 831 HB3 PRO 109 1HB PRO 109 6.479 -11.383 -13.474 832 HG2 PRO 109 2HG PRO 109 5.722 -10.946 -10.961 833 HG3 PRO 109 1HG PRO 109 6.900 -12.229 -11.313 834 HD2 PRO 109 2HD PRO 109 7.387 -9.462 -10.199 835 HD3 PRO 109 1HD PRO 109 8.112 -11.015 -9.722 836 H ASN 110 HN ASN 110 7.919 -7.968 -12.465 837 HA ASN 110 HA ASN 110 8.758 -6.948 -15.101 838 HB2 ASN 110 2HB ASN 110 6.452 -6.402 -13.934 839 HB3 ASN 110 1HB ASN 110 7.386 -5.295 -12.941 840 HD21 ASN 110 1HD2 ASN 110 8.414 -3.488 -13.997 841 HD22 ASN 110 2HD2 ASN 110 7.826 -2.907 -15.506 842 H GLY 111 HN GLY 111 10.488 -7.805 -12.701 843 HA2 GLY 111 2HA GLY 111 12.234 -7.156 -11.396 844 HA3 GLY 111 1HA GLY 111 12.590 -6.061 -12.717 845 H LEU 112 HN LEU 112 9.762 -5.887 -10.577 846 HA LEU 112 HA LEU 112 10.645 -3.198 -9.689 847 HB2 LEU 112 2HB LEU 112 7.830 -4.242 -10.186 848 HB3 LEU 112 1HB LEU 112 8.165 -2.722 -9.366 849 HG LEU 112 HG LEU 112 8.835 -3.392 -12.259 850 HD11 LEU 112 1HD1 LEU 112 6.781 -1.464 -11.138 851 HD12 LEU 112 2HD1 LEU 112 6.455 -3.015 -11.918 852 HD13 LEU 112 3HD1 LEU 112 7.170 -1.701 -12.847 853 HD21 LEU 112 3HD2 LEU 112 9.564 -1.031 -12.473 854 HD22 LEU 112 1HD2 LEU 112 10.581 -1.944 -11.362 855 HD23 LEU 112 2HD2 LEU 112 9.380 -0.815 -10.730 856 H ARG 113 HN ARG 113 9.865 -2.548 -7.591 857 HA ARG 113 HA ARG 113 8.906 -4.584 -5.727 858 HB2 ARG 113 2HB ARG 113 11.361 -4.727 -5.508 859 HB3 ARG 113 1HB ARG 113 11.469 -2.984 -5.276 860 HG2 ARG 113 2HG ARG 113 10.261 -3.164 -3.145 861 HG3 ARG 113 1HG ARG 113 10.053 -4.901 -3.385 862 HD2 ARG 113 2HD ARG 113 11.883 -4.435 -1.816 863 HD3 ARG 113 1HD ARG 113 12.484 -5.222 -3.280 864 HE ARG 113 HE ARG 113 12.615 -2.302 -3.182 865 HH11 ARG 113 1HH1 ARG 113 14.394 -5.332 -2.935 866 HH12 ARG 113 2HH1 ARG 113 15.942 -4.558 -3.058 867 HH21 ARG 113 1HH2 ARG 113 14.665 -1.333 -3.371 868 HH22 ARG 113 2HH2 ARG 113 16.090 -2.314 -3.304 869 H TYR 114 HN TYR 114 7.172 -3.650 -4.844 870 HA TYR 114 HA TYR 114 6.664 -0.868 -4.917 871 HB2 TYR 114 2HB TYR 114 4.626 -1.322 -3.614 872 HB3 TYR 114 1HB TYR 114 4.792 -2.456 -4.938 873 HD1 TYR 114 HD2 TYR 114 5.278 -2.157 -1.221 874 HD2 TYR 114 HD1 TYR 114 4.637 -4.810 -4.511 875 HE1 TYR 114 HE2 TYR 114 4.928 -4.009 0.344 876 HE2 TYR 114 HE1 TYR 114 4.286 -6.651 -2.929 877 HH TYR 114 HH TYR 114 4.705 -7.310 -0.720 878 H CYS 115 HN CYS 115 7.172 0.704 -3.550 879 HA CYS 115 HA CYS 115 7.841 0.044 -0.737 880 HB2 CYS 115 2HB CYS 115 8.740 2.477 -2.365 881 HB3 CYS 115 1HB CYS 115 9.206 2.101 -0.703 882 HG CYS 115 HG CYS 115 9.889 -0.224 -3.041 883 H ILE 116 HN ILE 116 5.809 0.138 0.043 884 HA ILE 116 HA ILE 116 4.024 2.379 -0.642 885 HB ILE 116 HB ILE 116 3.368 -0.205 0.864 886 HG12 ILE 116 2HG1 ILE 116 4.029 -0.728 -1.464 887 HG13 ILE 116 1HG1 ILE 116 2.310 -1.008 -1.231 888 HG21 ILE 116 1HG2 ILE 116 1.827 1.635 1.376 889 HG22 ILE 116 2HG2 ILE 116 1.013 0.385 0.437 890 HG23 ILE 116 3HG2 ILE 116 1.520 1.883 -0.344 891 HD11 ILE 116 3HD1 ILE 116 3.593 1.323 -2.640 892 HD12 ILE 116 1HD1 ILE 116 1.859 1.153 -2.347 893 HD13 ILE 116 2HD1 ILE 116 2.702 -0.012 -3.364 894 H ASN 117 HN ASN 117 3.473 3.880 0.923 895 HA ASN 117 HA ASN 117 5.442 4.153 2.977 896 HB2 ASN 117 2HB ASN 117 4.483 6.363 3.326 897 HB3 ASN 117 1HB ASN 117 4.670 6.065 1.605 898 HD21 ASN 117 1HD2 ASN 117 2.765 5.587 0.364 899 HD22 ASN 117 2HD2 ASN 117 1.215 6.108 0.911 900 H SER 118 HN SER 118 5.206 3.976 5.141 901 HA SER 118 HA SER 118 3.487 1.953 6.044 902 HB2 SER 118 2HB SER 118 5.770 2.442 6.950 903 HB3 SER 118 1HB SER 118 5.127 3.886 7.732 904 HG SER 118 HG SER 118 3.666 2.418 8.865 905 H ALA 119 HN ALA 119 3.149 5.447 6.180 906 HA ALA 119 HA ALA 119 1.197 5.556 8.298 907 HB1 ALA 119 3HB ALA 119 2.736 7.435 7.874 908 HB2 ALA 119 1HB ALA 119 1.048 7.951 7.775 909 HB3 ALA 119 2HB ALA 119 1.986 7.698 6.299 910 H ALA 120 HN ALA 120 1.043 4.999 4.864 911 HA ALA 120 HA ALA 120 -1.784 5.624 4.601 912 HB1 ALA 120 3HB ALA 120 0.033 4.104 2.692 913 HB2 ALA 120 1HB ALA 120 -0.304 5.834 2.634 914 HB3 ALA 120 2HB ALA 120 -1.602 4.676 2.336 915 H LEU 121 HN LEU 121 -0.073 3.055 6.011 916 HA LEU 121 HA LEU 121 -1.860 0.966 4.980 917 HB2 LEU 121 2HB LEU 121 0.891 0.783 6.248 918 HB3 LEU 121 1HB LEU 121 -0.064 -0.603 5.717 919 HG LEU 121 HG LEU 121 1.064 1.596 3.948 920 HD11 LEU 121 1HD1 LEU 121 2.422 -0.203 2.987 921 HD12 LEU 121 2HD1 LEU 121 1.779 -1.331 4.190 922 HD13 LEU 121 3HD1 LEU 121 2.754 0.057 4.697 923 HD21 LEU 121 3HD2 LEU 121 0.154 0.269 2.057 924 HD22 LEU 121 1HD2 LEU 121 -1.087 0.974 3.081 925 HD23 LEU 121 2HD2 LEU 121 -0.714 -0.750 3.205 926 H ARG 122 HN ARG 122 -2.956 -0.322 6.167 927 HA ARG 122 HA ARG 122 -2.303 -0.819 8.977 928 HB2 ARG 122 2HB ARG 122 -4.641 -0.815 9.733 929 HB3 ARG 122 1HB ARG 122 -4.222 0.779 9.116 930 HG2 ARG 122 2HG ARG 122 -5.462 0.415 7.080 931 HG3 ARG 122 1HG ARG 122 -5.729 -1.285 7.474 932 HD2 ARG 122 2HD ARG 122 -6.803 1.000 9.161 933 HD3 ARG 122 1HD ARG 122 -7.703 0.259 7.834 934 HE ARG 122 HE ARG 122 -6.764 -1.334 10.156 935 HH11 ARG 122 1HH1 ARG 122 -9.356 -0.364 7.991 936 HH12 ARG 122 2HH1 ARG 122 -10.528 -1.407 8.722 937 HH21 ARG 122 1HH2 ARG 122 -8.337 -2.725 11.102 938 HH22 ARG 122 2HH2 ARG 122 -9.956 -2.730 10.483 939 H PHE 123 HN PHE 123 -2.597 -2.951 9.462 940 HA PHE 123 HA PHE 123 -3.284 -4.766 7.283 941 HB2 PHE 123 2HB PHE 123 -2.468 -6.551 8.930 942 HB3 PHE 123 1HB PHE 123 -1.253 -5.418 8.348 943 HD1 PHE 123 HD1 PHE 123 -0.241 -3.769 9.847 944 HD2 PHE 123 HD2 PHE 123 -3.249 -6.458 11.279 945 HE1 PHE 123 HE1 PHE 123 0.282 -3.148 12.157 946 HE2 PHE 123 HE2 PHE 123 -2.701 -5.827 13.583 947 HZ PHE 123 HZ PHE 123 -0.947 -4.172 14.017 948 H VAL 124 HN VAL 124 -4.947 -6.240 7.470 949 HA VAL 124 HA VAL 124 -6.963 -5.790 9.579 950 HB VAL 124 HB VAL 124 -7.601 -6.258 6.625 951 HG11 VAL 124 1HG1 VAL 124 -9.927 -5.662 7.284 952 HG12 VAL 124 2HG1 VAL 124 -9.409 -5.532 8.966 953 HG13 VAL 124 3HG1 VAL 124 -9.341 -7.093 8.141 954 HG21 VAL 124 3HG2 VAL 124 -8.284 -3.887 6.471 955 HG22 VAL 124 1HG2 VAL 124 -6.568 -4.019 6.880 956 HG23 VAL 124 2HG2 VAL 124 -7.746 -3.612 8.131 957 HA PRO 125 HA PRO 125 -5.818 -10.226 9.983 958 HB2 PRO 125 2HB PRO 125 -8.262 -10.039 11.767 959 HB3 PRO 125 1HB PRO 125 -6.705 -10.829 12.070 960 HG2 PRO 125 2HG PRO 125 -7.214 -8.475 13.191 961 HG3 PRO 125 1HG PRO 125 -5.604 -8.792 12.504 962 HD2 PRO 125 2HD PRO 125 -7.873 -7.160 11.374 963 HD3 PRO 125 1HD PRO 125 -6.123 -6.845 11.322 964 H LYS 126 HN LYS 126 -6.617 -12.146 9.158 965 HA LYS 126 HA LYS 126 -8.336 -12.193 7.009 966 HB2 LYS 126 2HB LYS 126 -6.653 -13.933 7.500 967 HB3 LYS 126 1HB LYS 126 -7.623 -14.493 8.854 968 HG2 LYS 126 2HG LYS 126 -9.442 -15.122 7.241 969 HG3 LYS 126 1HG LYS 126 -8.370 -14.655 5.916 970 HD2 LYS 126 2HD LYS 126 -8.298 -17.076 6.243 971 HD3 LYS 126 1HD LYS 126 -6.732 -16.368 6.636 972 HE2 LYS 126 2HE LYS 126 -7.412 -16.451 9.086 973 HE3 LYS 126 1HE LYS 126 -8.852 -17.349 8.595 974 HZ1 LYS 126 3HZ LYS 126 -6.041 -18.186 8.141 975 HZ2 LYS 126 1HZ LYS 126 -7.417 -19.058 7.676 976 HZ3 LYS 126 2HZ LYS 126 -7.085 -18.810 9.317 977 H HIS 127 HN HIS 127 -9.165 -12.717 10.391 978 HA HIS 127 HA HIS 127 -11.812 -13.760 10.003 979 HB2 HIS 127 2HB HIS 127 -10.361 -12.596 12.409 980 HB3 HIS 127 1HB HIS 127 -12.052 -13.077 12.502 981 HD1 HIS 127 HD1 HIS 127 -11.970 -15.123 13.897 982 HD2 HIS 127 HD2 HIS 127 -9.079 -15.197 10.916 983 HE1 HIS 127 HE1 HIS 127 -10.920 -17.395 14.046 984 HE2 HIS 127 HE2 HIS 127 -9.010 -17.313 12.403 985 H LYS 128 HN LYS 128 -10.421 -10.565 10.163 986 HA LYS 128 HA LYS 128 -12.996 -9.217 10.518 987 HB2 LYS 128 2HB LYS 128 -10.897 -8.366 11.663 988 HB3 LYS 128 1HB LYS 128 -10.236 -7.971 10.080 989 HG2 LYS 128 2HG LYS 128 -11.143 -5.958 11.089 990 HG3 LYS 128 1HG LYS 128 -12.139 -6.404 9.699 991 HD2 LYS 128 2HD LYS 128 -13.688 -7.585 11.418 992 HD3 LYS 128 1HD LYS 128 -12.783 -6.707 12.654 993 HE2 LYS 128 2HE LYS 128 -14.414 -5.499 10.394 994 HE3 LYS 128 1HE LYS 128 -14.822 -5.500 12.108 995 HZ1 LYS 128 3HZ LYS 128 -13.925 -3.378 11.467 996 HZ2 LYS 128 1HZ LYS 128 -12.522 -4.103 10.861 997 HZ3 LYS 128 2HZ LYS 128 -12.845 -4.147 12.516 998 H LEU 129 HN LEU 129 -10.806 -10.180 7.989 999 HA LEU 129 HA LEU 129 -11.449 -8.314 5.960 1000 HB2 LEU 129 2HB LEU 129 -10.541 -11.199 5.846 1001 HB3 LEU 129 1HB LEU 129 -10.706 -10.196 4.412 1002 HG LEU 129 HG LEU 129 -8.763 -9.715 6.696 1003 HD11 LEU 129 1HD1 LEU 129 -8.305 -10.711 3.861 1004 HD12 LEU 129 2HD1 LEU 129 -8.191 -11.669 5.346 1005 HD13 LEU 129 3HD1 LEU 129 -7.044 -10.356 5.059 1006 HD21 LEU 129 3HD2 LEU 129 -7.863 -7.929 5.284 1007 HD22 LEU 129 1HD2 LEU 129 -9.548 -7.626 5.706 1008 HD23 LEU 129 2HD2 LEU 129 -9.138 -8.216 4.092 1009 H LYS 130 HN LYS 130 -12.993 -11.296 7.067 1010 HA LYS 130 HA LYS 130 -14.874 -11.685 5.047 1011 HB2 LYS 130 2HB LYS 130 -14.397 -13.352 6.783 1012 HB3 LYS 130 1HB LYS 130 -15.022 -12.279 8.029 1013 HG2 LYS 130 2HG LYS 130 -17.287 -12.507 7.167 1014 HG3 LYS 130 1HG LYS 130 -16.703 -13.424 5.773 1015 HD2 LYS 130 2HD LYS 130 -17.670 -14.946 7.441 1016 HD3 LYS 130 1HD LYS 130 -15.939 -15.241 7.274 1017 HE2 LYS 130 2HE LYS 130 -16.528 -15.315 9.623 1018 HE3 LYS 130 1HE LYS 130 -15.554 -13.876 9.340 1019 HZ1 LYS 130 3HZ LYS 130 -17.642 -12.606 9.236 1020 HZ2 LYS 130 1HZ LYS 130 -17.375 -13.323 10.739 1021 HZ3 LYS 130 2HZ LYS 130 -18.494 -13.999 9.671 1022 H GLU 131 HN GLU 131 -14.969 -9.688 7.963 1023 HA GLU 131 HA GLU 131 -17.590 -8.653 7.646 1024 HB2 GLU 131 2HB GLU 131 -15.233 -7.350 9.079 1025 HB3 GLU 131 1HB GLU 131 -16.946 -7.045 9.369 1026 HG2 GLU 131 2HG GLU 131 -15.439 -9.613 9.962 1027 HG3 GLU 131 1HG GLU 131 -15.982 -8.424 11.145 1028 H GLU 132 HN GLU 132 -14.415 -7.700 6.390 1029 HA GLU 132 HA GLU 132 -15.283 -5.123 5.412 1030 HB2 GLU 132 2HB GLU 132 -12.728 -6.655 4.773 1031 HB3 GLU 132 1HB GLU 132 -13.022 -4.943 4.476 1032 HG2 GLU 132 2HG GLU 132 -12.737 -6.308 7.169 1033 HG3 GLU 132 1HG GLU 132 -11.576 -5.236 6.401 1034 H GLY 133 HN GLY 133 -15.670 -8.352 4.249 1035 HA2 GLY 133 2HA GLY 133 -16.998 -8.705 2.289 1036 HA3 GLY 133 1HA GLY 133 -16.167 -7.374 1.505 1037 H TYR 134 HN TYR 134 -14.857 -10.158 3.298 1038 HA TYR 134 HA TYR 134 -12.857 -11.297 2.345 1039 HB2 TYR 134 2HB TYR 134 -13.866 -13.590 2.409 1040 HB3 TYR 134 1HB TYR 134 -14.344 -12.578 3.762 1041 HD1 TYR 134 HD2 TYR 134 -16.701 -11.704 3.898 1042 HD2 TYR 134 HD1 TYR 134 -15.522 -14.361 0.774 1043 HE1 TYR 134 HE2 TYR 134 -19.061 -12.138 3.365 1044 HE2 TYR 134 HE1 TYR 134 -17.873 -14.791 0.237 1045 HH TYR 134 HH TYR 134 -20.415 -12.866 1.454 1046 H GLU 135 HN GLU 135 -15.613 -11.254 0.137 1047 HA GLU 135 HA GLU 135 -14.688 -13.034 -1.828 1048 HB2 GLU 135 2HB GLU 135 -16.341 -11.904 -3.348 1049 HB3 GLU 135 1HB GLU 135 -16.999 -12.430 -1.806 1050 HG2 GLU 135 2HG GLU 135 -17.047 -10.178 -0.952 1051 HG3 GLU 135 1HG GLU 135 -16.130 -9.574 -2.332 1052 H SER 136 HN SER 136 -13.765 -9.766 -1.241 1053 HA SER 136 HA SER 136 -12.277 -9.478 -3.777 1054 HB2 SER 136 2HB SER 136 -13.476 -7.462 -2.986 1055 HB3 SER 136 1HB SER 136 -12.654 -7.545 -1.430 1056 HG SER 136 HG SER 136 -11.093 -7.430 -3.755 1057 H TYR 137 HN TYR 137 -11.926 -9.692 -0.294 1058 HA TYR 137 HA TYR 137 -9.156 -9.063 -0.221 1059 HB2 TYR 137 2HB TYR 137 -11.088 -9.993 1.946 1060 HB3 TYR 137 1HB TYR 137 -9.444 -9.447 2.257 1061 HD1 TYR 137 HD2 TYR 137 -12.702 -8.339 0.853 1062 HD2 TYR 137 HD1 TYR 137 -8.988 -7.076 2.500 1063 HE1 TYR 137 HE2 TYR 137 -13.539 -6.049 0.939 1064 HE2 TYR 137 HE1 TYR 137 -9.817 -4.764 2.591 1065 HH TYR 137 HH TYR 137 -13.084 -3.992 2.265 1066 H LEU 138 HN LEU 138 -10.870 -12.018 0.822 1067 HA LEU 138 HA LEU 138 -8.524 -13.563 1.263 1068 HB2 LEU 138 2HB LEU 138 -11.467 -14.291 1.142 1069 HB3 LEU 138 1HB LEU 138 -10.244 -15.537 1.328 1070 HG LEU 138 HG LEU 138 -9.505 -14.569 3.461 1071 HD11 LEU 138 1HD1 LEU 138 -11.632 -12.462 3.060 1072 HD12 LEU 138 2HD1 LEU 138 -9.885 -12.211 3.027 1073 HD13 LEU 138 3HD1 LEU 138 -10.671 -12.703 4.523 1074 HD21 LEU 138 3HD2 LEU 138 -11.321 -16.187 3.624 1075 HD22 LEU 138 1HD2 LEU 138 -12.517 -14.899 3.411 1076 HD23 LEU 138 2HD2 LEU 138 -11.494 -14.930 4.855 1077 H HIS 139 HN HIS 139 -10.416 -12.996 -1.585 1078 HA HIS 139 HA HIS 139 -9.595 -15.161 -3.226 1079 HB2 HIS 139 2HB HIS 139 -11.444 -13.613 -3.859 1080 HB3 HIS 139 1HB HIS 139 -10.292 -12.293 -4.015 1081 HD1 HIS 139 HD1 HIS 139 -11.652 -15.257 -5.816 1082 HD2 HIS 139 HD2 HIS 139 -8.681 -12.408 -6.372 1083 HE1 HIS 139 HE1 HIS 139 -10.931 -15.495 -8.213 1084 HE2 HIS 139 HE2 HIS 139 -9.293 -13.610 -8.568 1085 H LEU 140 HN LEU 140 -8.056 -12.185 -2.266 1086 HA LEU 140 HA LEU 140 -5.801 -12.440 -4.115 1087 HB2 LEU 140 2HB LEU 140 -6.544 -10.339 -2.043 1088 HB3 LEU 140 1HB LEU 140 -5.164 -10.220 -3.135 1089 HG LEU 140 HG LEU 140 -8.038 -10.446 -4.117 1090 HD11 LEU 140 1HD1 LEU 140 -6.444 -7.909 -3.727 1091 HD12 LEU 140 2HD1 LEU 140 -7.857 -8.416 -2.803 1092 HD13 LEU 140 3HD1 LEU 140 -8.015 -8.044 -4.516 1093 HD21 LEU 140 3HD2 LEU 140 -5.493 -9.610 -5.548 1094 HD22 LEU 140 1HD2 LEU 140 -7.114 -9.673 -6.252 1095 HD23 LEU 140 2HD2 LEU 140 -6.328 -11.158 -5.725 1096 H PHE 141 HN PHE 141 -6.550 -12.538 -0.642 1097 HA PHE 141 HA PHE 141 -3.926 -12.899 0.351 1098 HB2 PHE 141 2HB PHE 141 -5.751 -12.193 1.815 1099 HB3 PHE 141 1HB PHE 141 -6.627 -13.691 1.521 1100 HD1 PHE 141 HD1 PHE 141 -3.167 -12.698 2.682 1101 HD2 PHE 141 HD2 PHE 141 -6.578 -15.206 3.324 1102 HE1 PHE 141 HE1 PHE 141 -2.069 -13.707 4.634 1103 HE2 PHE 141 HE2 PHE 141 -5.464 -16.203 5.280 1104 HZ PHE 141 HZ PHE 141 -3.215 -15.455 5.934 1105 H ASN 142 HN ASN 142 -6.247 -15.162 -1.009 1106 HA ASN 142 HA ASN 142 -4.354 -17.420 -0.748 1107 HB2 ASN 142 2HB ASN 142 -6.728 -17.908 -0.210 1108 HB3 ASN 142 1HB ASN 142 -7.233 -17.311 -1.787 1109 HD21 ASN 142 1HD2 ASN 142 -8.190 -19.282 -2.325 1110 HD22 ASN 142 2HD2 ASN 142 -7.283 -20.700 -2.703 1111 H LYS 143 HN LYS 143 -3.399 -18.341 -2.595 1112 HA LYS 143 HA LYS 143 -3.315 -16.818 -5.082 1113 HB2 LYS 143 2HB LYS 143 -2.109 -19.548 -4.404 1114 HB3 LYS 143 1HB LYS 143 -1.756 -18.608 -5.856 1115 HG2 LYS 143 2HG LYS 143 -0.755 -16.840 -4.437 1116 HG3 LYS 143 1HG LYS 143 -1.084 -17.818 -3.006 1117 HD2 LYS 143 2HD LYS 143 0.728 -18.617 -5.318 1118 HD3 LYS 143 1HD LYS 143 1.273 -18.008 -3.754 1119 HE2 LYS 143 2HE LYS 143 0.368 -19.987 -2.631 1120 HE3 LYS 143 1HE LYS 143 -0.316 -20.567 -4.151 1121 HZ1 LYS 143 3HZ LYS 143 2.570 -20.232 -3.569 1122 HZ2 LYS 143 1HZ LYS 143 1.915 -20.764 -5.035 1123 HZ3 LYS 143 2HZ LYS 143 1.727 -21.695 -3.640 1124 H LEU 144 HN LEU 144 -4.887 -17.078 -6.602 1125 HA LEU 144 HA LEU 144 -6.650 -19.401 -6.578 1126 HB2 LEU 144 2HB LEU 144 -7.270 -16.837 -7.066 1127 HB3 LEU 144 1HB LEU 144 -6.793 -17.226 -8.705 1128 HG LEU 144 HG LEU 144 -9.250 -17.336 -8.364 1129 HD11 LEU 144 1HD1 LEU 144 -8.313 -18.710 -10.139 1130 HD12 LEU 144 2HD1 LEU 144 -9.715 -19.490 -9.415 1131 HD13 LEU 144 3HD1 LEU 144 -8.092 -20.057 -9.016 1132 HD21 LEU 144 3HD2 LEU 144 -9.290 -18.011 -6.017 1133 HD22 LEU 144 1HD2 LEU 144 -8.689 -19.620 -6.442 1134 HD23 LEU 144 2HD2 LEU 144 -10.281 -19.088 -6.993 1135 H GLU 145 HN GLU 145 -4.816 -20.862 -7.015 1136 HA GLU 145 HA GLU 145 -3.619 -20.898 -9.648 1137 HB2 GLU 145 2HB GLU 145 -2.392 -21.747 -7.646 1138 HB3 GLU 145 1HB GLU 145 -3.580 -23.039 -7.458 1139 HG2 GLU 145 2HG GLU 145 -2.931 -23.961 -9.644 1140 HG3 GLU 145 1HG GLU 145 -1.782 -22.645 -9.872 1141 H HIS 146 HN HIS 146 -5.010 -21.248 -11.251 1142 HA HIS 146 HA HIS 146 -7.199 -23.221 -11.018 1143 HB2 HIS 146 2HB HIS 146 -8.241 -22.073 -12.894 1144 HB3 HIS 146 1HB HIS 146 -7.733 -20.847 -11.733 1145 HD1 HIS 146 HD1 HIS 146 -7.224 -22.003 -15.219 1146 HD2 HIS 146 HD2 HIS 146 -5.472 -19.283 -12.607 1147 HE1 HIS 146 HE1 HIS 146 -5.730 -20.573 -16.637 1148 HE2 HIS 146 HE2 HIS 146 -4.654 -18.952 -15.035 1149 H HIS 147 HN HIS 147 -7.693 -24.420 -13.102 1150 HA HIS 147 HA HIS 147 -5.324 -25.648 -14.272 1151 HB2 HIS 147 2HB HIS 147 -7.193 -27.099 -13.635 1152 HB3 HIS 147 1HB HIS 147 -8.301 -26.189 -14.653 1153 HD1 HIS 147 HD1 HIS 147 -5.380 -28.594 -14.921 1154 HD2 HIS 147 HD2 HIS 147 -8.405 -27.032 -17.308 1155 HE1 HIS 147 HE1 HIS 147 -5.294 -29.902 -17.066 1156 HE2 HIS 147 HE2 HIS 147 -7.092 -28.904 -18.518 Start of MODEL 7 1 H1 MET 1 1H MET 1 -18.337 18.514 16.454 2 H2 MET 1 2H MET 1 -19.624 18.441 15.369 3 H3 MET 1 3H MET 1 -18.270 19.376 15.003 4 HA MET 1 HA MET 1 -18.283 17.312 13.760 5 HB2 MET 1 2HB MET 1 -16.092 17.405 15.879 6 HB3 MET 1 1HB MET 1 -15.990 16.554 14.339 7 HG2 MET 1 2HG MET 1 -16.225 19.554 14.682 8 HG3 MET 1 1HG MET 1 -14.750 18.664 14.299 9 HE1 MET 1 3HE MET 1 -14.392 20.316 12.193 10 HE2 MET 1 1HE MET 1 -15.901 21.157 12.569 11 HE3 MET 1 2HE MET 1 -15.605 20.550 10.938 12 H ALA 2 HN ALA 2 -18.249 15.020 13.734 13 HA ALA 2 HA ALA 2 -18.531 13.527 16.266 14 HB1 ALA 2 3HB ALA 2 -20.431 13.208 13.895 15 HB2 ALA 2 1HB ALA 2 -20.845 13.933 15.456 16 HB3 ALA 2 2HB ALA 2 -20.429 12.223 15.360 17 H TYR 3 HN TYR 3 -18.241 11.126 15.822 18 HA TYR 3 HA TYR 3 -15.963 10.752 14.069 19 HB2 TYR 3 2HB TYR 3 -17.407 8.896 15.997 20 HB3 TYR 3 1HB TYR 3 -16.113 8.331 14.943 21 HD1 TYR 3 HD2 TYR 3 -13.795 9.406 15.151 22 HD2 TYR 3 HD1 TYR 3 -16.857 10.039 18.074 23 HE1 TYR 3 HE2 TYR 3 -12.103 10.150 16.761 24 HE2 TYR 3 HE1 TYR 3 -15.147 10.789 19.677 25 HH TYR 3 HH TYR 3 -12.689 10.476 20.045 26 H ASN 4 HN ASN 4 -16.902 11.167 12.071 27 HA ASN 4 HA ASN 4 -18.308 8.860 10.857 28 HB2 ASN 4 2HB ASN 4 -18.124 11.732 9.837 29 HB3 ASN 4 1HB ASN 4 -18.833 10.400 8.932 30 HD21 ASN 4 1HD2 ASN 4 -20.822 11.420 8.792 31 HD22 ASN 4 2HD2 ASN 4 -21.870 11.625 10.149 32 H LYS 5 HN LYS 5 -17.576 8.541 8.526 33 HA LYS 5 HA LYS 5 -14.820 7.922 8.460 34 HB2 LYS 5 2HB LYS 5 -16.824 8.017 6.167 35 HB3 LYS 5 1HB LYS 5 -15.195 7.379 6.021 36 HG2 LYS 5 2HG LYS 5 -16.644 5.509 6.218 37 HG3 LYS 5 1HG LYS 5 -15.799 5.658 7.760 38 HD2 LYS 5 2HD LYS 5 -17.804 6.711 8.765 39 HD3 LYS 5 1HD LYS 5 -18.643 6.615 7.215 40 HE2 LYS 5 2HE LYS 5 -18.581 4.169 7.312 41 HE3 LYS 5 1HE LYS 5 -17.674 4.231 8.826 42 HZ1 LYS 5 3HZ LYS 5 -20.424 5.263 8.410 43 HZ2 LYS 5 1HZ LYS 5 -19.558 5.330 9.862 44 HZ3 LYS 5 2HZ LYS 5 -20.008 3.834 9.213 45 H GLU 6 HN GLU 6 -16.686 10.680 7.317 46 HA GLU 6 HA GLU 6 -14.817 11.848 5.571 47 HB2 GLU 6 2HB GLU 6 -16.998 13.162 7.247 48 HB3 GLU 6 1HB GLU 6 -16.102 13.983 5.972 49 HG2 GLU 6 2HG GLU 6 -17.952 11.604 5.637 50 HG3 GLU 6 1HG GLU 6 -18.279 13.263 5.154 51 H GLU 7 HN GLU 7 -15.334 12.550 9.084 52 HA GLU 7 HA GLU 7 -13.089 14.337 9.266 53 HB2 GLU 7 2HB GLU 7 -14.672 12.919 11.445 54 HB3 GLU 7 1HB GLU 7 -13.408 14.100 11.770 55 HG2 GLU 7 2HG GLU 7 -15.575 15.151 11.980 56 HG3 GLU 7 1HG GLU 7 -14.716 15.828 10.596 57 H LYS 8 HN LYS 8 -13.562 10.913 10.011 58 HA LYS 8 HA LYS 8 -11.183 10.303 11.342 59 HB2 LYS 8 2HB LYS 8 -13.076 8.724 11.202 60 HB3 LYS 8 1HB LYS 8 -12.860 8.580 9.467 61 HG2 LYS 8 2HG LYS 8 -11.920 6.597 10.234 62 HG3 LYS 8 1HG LYS 8 -10.495 7.616 10.063 63 HD2 LYS 8 2HD LYS 8 -11.953 7.150 12.700 64 HD3 LYS 8 1HD LYS 8 -10.581 6.195 12.156 65 HE2 LYS 8 2HE LYS 8 -10.546 9.168 12.767 66 HE3 LYS 8 1HE LYS 8 -9.888 7.887 13.782 67 HZ1 LYS 8 3HZ LYS 8 -8.325 7.351 12.023 68 HZ2 LYS 8 1HZ LYS 8 -8.155 8.957 12.513 69 HZ3 LYS 8 2HZ LYS 8 -8.940 8.594 11.061 70 H ILE 9 HN ILE 9 -11.959 10.009 7.921 71 HA ILE 9 HA ILE 9 -9.334 9.420 7.030 72 HB ILE 9 HB ILE 9 -11.852 10.168 5.475 73 HG12 ILE 9 2HG1 ILE 9 -12.265 8.113 6.635 74 HG13 ILE 9 1HG1 ILE 9 -11.838 7.621 5.000 75 HG21 ILE 9 1HG2 ILE 9 -9.913 10.615 4.042 76 HG22 ILE 9 2HG2 ILE 9 -10.777 9.189 3.469 77 HG23 ILE 9 3HG2 ILE 9 -9.269 9.002 4.367 78 HD11 ILE 9 3HD1 ILE 9 -10.219 7.420 7.510 79 HD12 ILE 9 1HD1 ILE 9 -9.467 7.312 5.907 80 HD13 ILE 9 2HD1 ILE 9 -10.714 6.151 6.389 81 H LYS 10 HN LYS 10 -11.162 12.464 7.329 82 HA LYS 10 HA LYS 10 -9.612 14.152 5.711 83 HB2 LYS 10 2HB LYS 10 -11.715 14.892 6.742 84 HB3 LYS 10 1HB LYS 10 -11.024 14.734 8.352 85 HG2 LYS 10 2HG LYS 10 -9.387 16.560 7.747 86 HG3 LYS 10 1HG LYS 10 -10.277 16.775 6.234 87 HD2 LYS 10 2HD LYS 10 -12.316 17.344 7.510 88 HD3 LYS 10 1HD LYS 10 -11.453 17.075 9.027 89 HE2 LYS 10 2HE LYS 10 -10.880 19.252 6.982 90 HE3 LYS 10 1HE LYS 10 -11.595 19.465 8.581 91 HZ1 LYS 10 3HZ LYS 10 -8.827 18.571 7.987 92 HZ2 LYS 10 1HZ LYS 10 -9.506 18.623 9.536 93 HZ3 LYS 10 2HZ LYS 10 -9.293 20.050 8.655 94 H SER 11 HN SER 11 -9.282 13.478 9.193 95 HA SER 11 HA SER 11 -6.867 14.964 9.549 96 HB2 SER 11 2HB SER 11 -8.551 14.540 11.368 97 HB3 SER 11 1HB SER 11 -8.074 12.842 11.373 98 HG SER 11 HG SER 11 -5.887 14.380 11.565 99 H LEU 12 HN LEU 12 -7.564 11.420 9.241 100 HA LEU 12 HA LEU 12 -5.018 10.398 9.298 101 HB2 LEU 12 2HB LEU 12 -7.048 9.052 9.220 102 HB3 LEU 12 1HB LEU 12 -7.409 9.630 7.606 103 HG LEU 12 HG LEU 12 -5.327 8.444 6.789 104 HD11 LEU 12 1HD1 LEU 12 -4.096 8.284 8.902 105 HD12 LEU 12 2HD1 LEU 12 -4.318 6.700 8.163 106 HD13 LEU 12 3HD1 LEU 12 -5.314 7.174 9.541 107 HD21 LEU 12 3HD2 LEU 12 -7.591 7.528 6.516 108 HD22 LEU 12 1HD2 LEU 12 -7.433 6.681 8.058 109 HD23 LEU 12 2HD2 LEU 12 -6.376 6.263 6.706 110 H ASN 13 HN ASN 13 -6.631 12.015 6.576 111 HA ASN 13 HA ASN 13 -4.701 11.382 4.576 112 HB2 ASN 13 2HB ASN 13 -6.923 13.416 4.763 113 HB3 ASN 13 1HB ASN 13 -5.740 13.565 3.471 114 HD21 ASN 13 1HD2 ASN 13 -6.929 10.442 4.740 115 HD22 ASN 13 2HD2 ASN 13 -7.756 10.013 3.284 116 H ARG 14 HN ARG 14 -4.978 14.004 6.921 117 HA ARG 14 HA ARG 14 -2.902 15.685 6.017 118 HB2 ARG 14 2HB ARG 14 -4.493 16.348 7.795 119 HB3 ARG 14 1HB ARG 14 -3.819 15.135 8.877 120 HG2 ARG 14 2HG ARG 14 -1.654 16.342 8.864 121 HG3 ARG 14 1HG ARG 14 -2.353 17.567 7.801 122 HD2 ARG 14 2HD ARG 14 -3.960 18.191 9.550 123 HD3 ARG 14 1HD ARG 14 -3.332 16.915 10.603 124 HE ARG 14 HE ARG 14 -1.118 18.343 10.067 125 HH11 ARG 14 1HH1 ARG 14 -4.265 19.391 11.230 126 HH12 ARG 14 2HH1 ARG 14 -3.613 20.719 12.131 127 HH21 ARG 14 1HH2 ARG 14 -0.289 20.071 11.240 128 HH22 ARG 14 2HH2 ARG 14 -1.360 21.097 12.139 129 H MET 15 HN MET 15 -2.858 12.646 7.756 130 HA MET 15 HA MET 15 -0.017 12.694 8.351 131 HB2 MET 15 2HB MET 15 -1.557 11.546 9.889 132 HB3 MET 15 1HB MET 15 -2.080 10.462 8.605 133 HG2 MET 15 2HG MET 15 -0.476 9.440 10.232 134 HG3 MET 15 1HG MET 15 0.072 9.367 8.557 135 HE1 MET 15 3HE MET 15 0.192 12.642 10.825 136 HE2 MET 15 1HE MET 15 1.767 12.449 11.594 137 HE3 MET 15 2HE MET 15 0.454 11.340 11.988 138 H GLN 16 HN GLN 16 -2.110 10.672 6.202 139 HA GLN 16 HA GLN 16 0.060 9.188 5.125 140 HB2 GLN 16 2HB GLN 16 -2.709 9.447 3.895 141 HB3 GLN 16 1HB GLN 16 -1.530 8.170 3.603 142 HG2 GLN 16 2HG GLN 16 -1.767 7.659 6.128 143 HG3 GLN 16 1HG GLN 16 -3.225 8.652 6.052 144 HE21 GLN 16 1HE2 GLN 16 -3.128 5.881 6.700 145 HE22 GLN 16 2HE2 GLN 16 -3.998 5.025 5.476 146 H TYR 17 HN TYR 17 -1.933 11.775 3.780 147 HA TYR 17 HA TYR 17 -0.731 11.953 1.218 148 HB2 TYR 17 2HB TYR 17 -2.926 13.044 1.994 149 HB3 TYR 17 1HB TYR 17 -1.942 14.327 2.681 150 HD1 TYR 17 HD1 TYR 17 -2.642 12.572 -0.559 151 HD2 TYR 17 HD2 TYR 17 -1.360 16.202 1.307 152 HE1 TYR 17 HE1 TYR 17 -2.690 13.711 -2.732 153 HE2 TYR 17 HE2 TYR 17 -1.410 17.337 -0.876 154 HH TYR 17 HH TYR 17 -2.898 16.007 -3.611 155 H GLU 18 HN GLU 18 0.094 13.630 4.263 156 HA GLU 18 HA GLU 18 2.311 15.160 3.543 157 HB2 GLU 18 2HB GLU 18 1.442 15.283 5.792 158 HB3 GLU 18 1HB GLU 18 1.652 13.563 6.044 159 HG2 GLU 18 2HG GLU 18 3.266 14.752 7.370 160 HG3 GLU 18 1HG GLU 18 4.110 13.879 6.095 161 H VAL 19 HN VAL 19 2.037 11.721 4.030 162 HA VAL 19 HA VAL 19 4.886 11.186 4.182 163 HB VAL 19 HB VAL 19 2.449 9.358 4.245 164 HG11 VAL 19 1HG1 VAL 19 4.254 8.122 3.172 165 HG12 VAL 19 2HG1 VAL 19 4.013 7.505 4.808 166 HG13 VAL 19 3HG1 VAL 19 5.379 8.569 4.448 167 HG21 VAL 19 3HG2 VAL 19 3.110 9.030 6.612 168 HG22 VAL 19 1HG2 VAL 19 2.835 10.743 6.268 169 HG23 VAL 19 2HG2 VAL 19 4.477 10.114 6.378 170 H THR 20 HN THR 20 2.288 10.135 1.940 171 HA THR 20 HA THR 20 3.928 8.912 0.052 172 HB THR 20 HB THR 20 1.219 10.170 -0.578 173 HG1 THR 20 HG1 THR 20 0.310 8.303 0.290 174 HG21 THR 20 3HG2 THR 20 2.458 9.206 -2.530 175 HG22 THR 20 1HG2 THR 20 0.991 8.293 -2.165 176 HG23 THR 20 2HG2 THR 20 2.567 7.662 -1.682 177 H GLN 21 HN GLN 21 2.896 12.289 0.334 178 HA GLN 21 HA GLN 21 3.723 12.947 -2.396 179 HB2 GLN 21 2HB GLN 21 2.672 14.741 -0.166 180 HB3 GLN 21 1HB GLN 21 3.049 15.294 -1.796 181 HG2 GLN 21 2HG GLN 21 0.936 13.243 -1.080 182 HG3 GLN 21 1HG GLN 21 0.641 14.933 -1.466 183 HE21 GLN 21 1HE2 GLN 21 2.590 15.010 -3.670 184 HE22 GLN 21 2HE2 GLN 21 1.871 14.128 -4.962 185 H ASN 22 HN ASN 22 4.799 13.689 0.931 186 HA ASN 22 HA ASN 22 6.985 15.353 -0.153 187 HB2 ASN 22 2HB ASN 22 5.426 16.271 1.629 188 HB3 ASN 22 1HB ASN 22 6.066 15.072 2.743 189 HD21 ASN 22 1HD2 ASN 22 6.837 16.662 4.162 190 HD22 ASN 22 2HD2 ASN 22 8.195 17.666 3.802 191 H ASN 23 HN ASN 23 6.469 12.186 0.819 192 HA ASN 23 HA ASN 23 7.705 10.422 1.414 193 HB2 ASN 23 2HB ASN 23 9.988 12.152 0.412 194 HB3 ASN 23 1HB ASN 23 10.247 10.512 0.998 195 HD21 ASN 23 1HD2 ASN 23 9.354 8.762 -0.181 196 HD22 ASN 23 2HD2 ASN 23 8.883 8.943 -1.832 197 H GLY 24 HN GLY 24 6.837 12.292 3.278 198 HA2 GLY 24 2HA GLY 24 8.768 12.264 5.471 199 HA3 GLY 24 1HA GLY 24 7.095 12.821 5.536 200 H THR 25 HN THR 25 7.894 11.283 7.564 201 HA THR 25 HA THR 25 5.953 9.167 7.413 202 HB THR 25 HB THR 25 7.817 7.960 6.333 203 HG1 THR 25 HG1 THR 25 7.784 6.677 8.809 204 HG21 THR 25 3HG2 THR 25 9.370 8.375 8.915 205 HG22 THR 25 1HG2 THR 25 9.731 9.132 7.362 206 HG23 THR 25 2HG2 THR 25 9.877 7.384 7.545 207 H GLU 26 HN GLU 26 5.691 7.984 9.438 208 HA GLU 26 HA GLU 26 6.460 9.536 11.824 209 HB2 GLU 26 2HB GLU 26 4.649 8.246 12.937 210 HB3 GLU 26 1HB GLU 26 4.050 9.115 11.532 211 HG2 GLU 26 2HG GLU 26 4.055 7.033 10.222 212 HG3 GLU 26 1HG GLU 26 4.686 6.147 11.611 213 HA PRO 27 HA PRO 27 9.339 6.220 12.986 214 HB2 PRO 27 2HB PRO 27 9.143 6.240 15.742 215 HB3 PRO 27 1HB PRO 27 10.023 7.471 14.825 216 HG2 PRO 27 2HG PRO 27 7.205 7.575 15.914 217 HG3 PRO 27 1HG PRO 27 8.483 8.808 16.015 218 HD2 PRO 27 2HD PRO 27 6.512 8.984 14.181 219 HD3 PRO 27 1HD PRO 27 8.173 9.487 13.789 220 HA PRO 28 HA PRO 28 6.442 2.634 13.229 221 HB2 PRO 28 2HB PRO 28 9.095 1.182 13.327 222 HB3 PRO 28 1HB PRO 28 7.672 0.865 12.317 223 HG2 PRO 28 2HG PRO 28 9.798 2.034 11.237 224 HG3 PRO 28 1HG PRO 28 8.171 2.631 10.834 225 HD2 PRO 28 2HD PRO 28 10.182 3.781 12.787 226 HD3 PRO 28 1HD PRO 28 9.188 4.622 11.572 227 H PHE 29 HN PHE 29 6.053 0.936 14.836 228 HA PHE 29 HA PHE 29 6.184 1.941 17.471 229 HB2 PHE 29 2HB PHE 29 5.385 -0.844 16.517 230 HB3 PHE 29 1HB PHE 29 5.061 -0.198 18.121 231 HD1 PHE 29 HD1 PHE 29 3.564 1.897 18.297 232 HD2 PHE 29 HD2 PHE 29 3.841 -0.456 14.740 233 HE1 PHE 29 HE1 PHE 29 1.433 2.826 17.512 234 HE2 PHE 29 HE2 PHE 29 1.706 0.482 13.959 235 HZ PHE 29 HZ PHE 29 0.501 2.122 15.348 236 H GLN 30 HN GLN 30 8.313 -0.191 15.761 237 HA GLN 30 HA GLN 30 10.197 -1.340 16.209 238 HB2 GLN 30 2HB GLN 30 10.498 0.625 18.520 239 HB3 GLN 30 1HB GLN 30 11.788 -0.362 17.844 240 HG2 GLN 30 2HG GLN 30 10.340 1.944 16.524 241 HG3 GLN 30 1HG GLN 30 12.035 1.872 17.002 242 HE21 GLN 30 1HE2 GLN 30 10.888 2.499 14.426 243 HE22 GLN 30 2HE2 GLN 30 11.527 1.350 13.307 244 H ASN 31 HN ASN 31 8.071 -2.658 16.989 245 HA ASN 31 HA ASN 31 8.463 -3.785 19.687 246 HB2 ASN 31 2HB ASN 31 6.309 -4.381 17.604 247 HB3 ASN 31 1HB ASN 31 6.336 -4.992 19.253 248 HD21 ASN 31 1HD2 ASN 31 7.235 -2.311 20.321 249 HD22 ASN 31 2HD2 ASN 31 5.808 -1.343 20.275 250 H GLU 32 HN GLU 32 8.800 -6.141 19.903 251 HA GLU 32 HA GLU 32 10.718 -7.075 18.004 252 HB2 GLU 32 2HB GLU 32 10.718 -9.198 19.434 253 HB3 GLU 32 1HB GLU 32 11.153 -7.698 20.225 254 HG2 GLU 32 2HG GLU 32 9.820 -8.926 21.761 255 HG3 GLU 32 1HG GLU 32 8.838 -7.585 21.179 256 H TYR 33 HN TYR 33 7.370 -7.159 17.760 257 HA TYR 33 HA TYR 33 7.548 -9.189 15.618 258 HB2 TYR 33 2HB TYR 33 5.353 -10.011 16.101 259 HB3 TYR 33 1HB TYR 33 6.183 -9.934 17.647 260 HD1 TYR 33 HD2 TYR 33 5.803 -7.578 18.963 261 HD2 TYR 33 HD1 TYR 33 3.142 -9.195 16.033 262 HE1 TYR 33 HE2 TYR 33 3.961 -6.237 19.889 263 HE2 TYR 33 HE1 TYR 33 1.312 -7.848 16.951 264 HH TYR 33 HH TYR 33 0.720 -6.808 19.145 265 H TRP 34 HN TRP 34 7.655 -6.013 15.662 266 HA TRP 34 HA TRP 34 5.148 -5.038 14.772 267 HB2 TRP 34 2HB TRP 34 6.170 -2.923 14.273 268 HB3 TRP 34 1HB TRP 34 6.956 -3.549 15.705 269 HD1 TRP 34 HD1 TRP 34 9.546 -3.761 15.629 270 HE1 TRP 34 HE1 TRP 34 11.361 -3.167 13.952 271 HE3 TRP 34 HE3 TRP 34 6.612 -2.804 11.544 272 HZ2 TRP 34 HZ2 TRP 34 11.579 -2.408 11.248 273 HZ3 TRP 34 HZ3 TRP 34 7.717 -2.141 9.440 274 HH2 TRP 34 HH2 TRP 34 10.151 -1.943 9.298 275 H ASP 35 HN ASP 35 7.667 -6.593 13.028 276 HA ASP 35 HA ASP 35 7.356 -5.993 10.362 277 HB2 ASP 35 2HB ASP 35 7.629 -8.805 11.520 278 HB3 ASP 35 1HB ASP 35 8.090 -8.310 9.892 279 H HIS 36 HN HIS 36 5.308 -7.976 12.387 280 HA HIS 36 HA HIS 36 3.087 -7.832 10.481 281 HB2 HIS 36 2HB HIS 36 2.475 -10.205 10.984 282 HB3 HIS 36 1HB HIS 36 4.023 -10.080 10.160 283 HD1 HIS 36 HD1 HIS 36 2.430 -11.440 13.158 284 HD2 HIS 36 HD2 HIS 36 6.311 -10.531 11.957 285 HE1 HIS 36 HE1 HIS 36 3.935 -12.634 14.775 286 HE2 HIS 36 HE2 HIS 36 6.262 -11.936 14.135 287 H LYS 37 HN LYS 37 1.937 -6.364 11.647 288 HA LYS 37 HA LYS 37 1.503 -6.309 14.448 289 HB2 LYS 37 2HB LYS 37 1.065 -4.348 13.044 290 HB3 LYS 37 1HB LYS 37 -0.121 -5.229 12.110 291 HG2 LYS 37 2HG LYS 37 -1.424 -3.830 13.424 292 HG3 LYS 37 1HG LYS 37 -1.499 -5.356 14.296 293 HD2 LYS 37 2HD LYS 37 0.484 -3.179 15.045 294 HD3 LYS 37 1HD LYS 37 -1.169 -3.165 15.650 295 HE2 LYS 37 2HE LYS 37 -0.783 -5.385 16.700 296 HE3 LYS 37 1HE LYS 37 0.882 -5.352 16.110 297 HZ1 LYS 37 3HZ LYS 37 0.663 -4.636 18.416 298 HZ2 LYS 37 1HZ LYS 37 -0.304 -3.342 17.925 299 HZ3 LYS 37 2HZ LYS 37 1.309 -3.424 17.432 300 H GLU 38 HN GLU 38 -0.771 -7.250 11.847 301 HA GLU 38 HA GLU 38 -1.214 -9.858 13.134 302 HB2 GLU 38 2HB GLU 38 -3.395 -8.086 11.936 303 HB3 GLU 38 1HB GLU 38 -3.601 -9.811 12.194 304 HG2 GLU 38 2HG GLU 38 -4.682 -8.876 14.015 305 HG3 GLU 38 1HG GLU 38 -3.111 -9.325 14.669 306 H GLU 39 HN GLU 39 -1.532 -11.548 11.632 307 HA GLU 39 HA GLU 39 -0.744 -11.226 8.888 308 HB2 GLU 39 2HB GLU 39 -2.156 -13.559 10.276 309 HB3 GLU 39 1HB GLU 39 -1.589 -13.594 8.610 310 HG2 GLU 39 2HG GLU 39 0.010 -14.765 9.952 311 HG3 GLU 39 1HG GLU 39 0.746 -13.248 9.440 312 H GLY 40 HN GLY 40 -2.146 -11.370 7.026 313 HA2 GLY 40 2HA GLY 40 -4.725 -11.626 6.585 314 HA3 GLY 40 1HA GLY 40 -4.755 -10.095 7.454 315 H LEU 41 HN LEU 41 -4.771 -8.377 6.168 316 HA LEU 41 HA LEU 41 -3.314 -8.441 3.574 317 HB2 LEU 41 2HB LEU 41 -5.993 -7.155 4.244 318 HB3 LEU 41 1HB LEU 41 -5.090 -6.779 2.781 319 HG LEU 41 HG LEU 41 -6.166 -9.543 3.491 320 HD11 LEU 41 1HD1 LEU 41 -7.966 -7.967 2.971 321 HD12 LEU 41 2HD1 LEU 41 -7.793 -9.192 1.724 322 HD13 LEU 41 3HD1 LEU 41 -7.176 -7.560 1.443 323 HD21 LEU 41 3HD2 LEU 41 -4.170 -9.687 2.108 324 HD22 LEU 41 1HD2 LEU 41 -4.855 -8.537 0.953 325 HD23 LEU 41 2HD2 LEU 41 -5.593 -10.129 1.171 326 H TYR 42 HN TYR 42 -2.564 -6.411 2.808 327 HA TYR 42 HA TYR 42 -2.168 -4.246 4.798 328 HB2 TYR 42 2HB TYR 42 -0.650 -4.834 2.209 329 HB3 TYR 42 1HB TYR 42 -0.366 -3.439 3.243 330 HD1 TYR 42 HD2 TYR 42 -0.228 -7.190 3.227 331 HD2 TYR 42 HD1 TYR 42 1.171 -3.580 5.053 332 HE1 TYR 42 HE2 TYR 42 1.432 -8.476 4.513 333 HE2 TYR 42 HE1 TYR 42 2.826 -4.866 6.328 334 HH TYR 42 HH TYR 42 3.143 -7.194 7.134 335 H VAL 43 HN VAL 43 -3.633 -2.610 4.484 336 HA VAL 43 HA VAL 43 -4.700 -2.127 1.753 337 HB VAL 43 HB VAL 43 -6.906 -1.744 2.582 338 HG11 VAL 43 1HG1 VAL 43 -5.907 -4.257 3.971 339 HG12 VAL 43 2HG1 VAL 43 -6.362 -4.126 2.273 340 HG13 VAL 43 3HG1 VAL 43 -7.586 -3.911 3.528 341 HG21 VAL 43 3HG2 VAL 43 -6.459 -0.514 4.634 342 HG22 VAL 43 1HG2 VAL 43 -5.833 -1.968 5.421 343 HG23 VAL 43 2HG2 VAL 43 -7.545 -1.856 4.997 344 H ASP 44 HN ASP 44 -5.491 0.070 1.402 345 HA ASP 44 HA ASP 44 -3.923 2.114 2.741 346 HB2 ASP 44 2HB ASP 44 -4.888 3.707 1.114 347 HB3 ASP 44 1HB ASP 44 -4.213 2.309 0.308 348 H ILE 45 HN ILE 45 -4.573 2.556 4.734 349 HA ILE 45 HA ILE 45 -6.799 1.921 6.124 350 HB ILE 45 HB ILE 45 -5.387 4.578 6.675 351 HG12 ILE 45 2HG1 ILE 45 -4.472 1.823 7.601 352 HG13 ILE 45 1HG1 ILE 45 -3.699 2.766 6.337 353 HG21 ILE 45 1HG2 ILE 45 -7.374 4.182 8.093 354 HG22 ILE 45 2HG2 ILE 45 -5.895 4.142 9.055 355 HG23 ILE 45 3HG2 ILE 45 -6.706 2.636 8.614 356 HD11 ILE 45 3HD1 ILE 45 -3.883 3.503 9.259 357 HD12 ILE 45 1HD1 ILE 45 -3.168 4.513 7.998 358 HD13 ILE 45 2HD1 ILE 45 -2.453 2.948 8.389 359 H VAL 46 HN VAL 46 -6.507 4.686 4.057 360 HA VAL 46 HA VAL 46 -8.622 6.326 4.823 361 HB VAL 46 HB VAL 46 -8.489 7.188 2.385 362 HG11 VAL 46 1HG1 VAL 46 -7.269 8.253 4.224 363 HG12 VAL 46 2HG1 VAL 46 -6.279 8.246 2.763 364 HG13 VAL 46 3HG1 VAL 46 -5.958 7.087 4.058 365 HG21 VAL 46 3HG2 VAL 46 -6.511 6.426 1.080 366 HG22 VAL 46 1HG2 VAL 46 -7.667 5.113 1.322 367 HG23 VAL 46 2HG2 VAL 46 -6.193 5.181 2.288 368 H SER 47 HN SER 47 -8.609 3.796 2.328 369 HA SER 47 HA SER 47 -11.557 3.974 2.141 370 HB2 SER 47 2HB SER 47 -10.261 4.306 0.049 371 HB3 SER 47 1HB SER 47 -9.557 2.694 0.223 372 HG SER 47 HG SER 47 -12.310 3.318 -0.065 373 H GLY 48 HN GLY 48 -8.872 1.724 2.619 374 HA2 GLY 48 2HA GLY 48 -8.906 -0.142 4.032 375 HA3 GLY 48 1HA GLY 48 -10.654 -0.248 3.864 376 H LYS 49 HN LYS 49 -9.251 0.316 0.884 377 HA LYS 49 HA LYS 49 -10.080 -2.183 -0.201 378 HB2 LYS 49 2HB LYS 49 -8.399 0.040 -1.427 379 HB3 LYS 49 1HB LYS 49 -9.018 -1.336 -2.335 380 HG2 LYS 49 2HG LYS 49 -11.316 -0.628 -1.908 381 HG3 LYS 49 1HG LYS 49 -10.750 0.710 -0.909 382 HD2 LYS 49 2HD LYS 49 -10.056 0.415 -3.860 383 HD3 LYS 49 1HD LYS 49 -11.461 1.304 -3.283 384 HE2 LYS 49 2HE LYS 49 -9.627 2.841 -3.785 385 HE3 LYS 49 1HE LYS 49 -9.988 2.866 -2.068 386 HZ1 LYS 49 3HZ LYS 49 -7.701 1.509 -3.371 387 HZ2 LYS 49 1HZ LYS 49 -8.054 1.419 -1.716 388 HZ3 LYS 49 2HZ LYS 49 -7.646 2.895 -2.412 389 HA PRO 50 HA PRO 50 -6.448 -4.686 0.514 390 HB2 PRO 50 2HB PRO 50 -6.848 -6.710 -1.277 391 HB3 PRO 50 1HB PRO 50 -7.858 -6.501 0.158 392 HG2 PRO 50 2HG PRO 50 -8.402 -5.637 -2.680 393 HG3 PRO 50 1HG PRO 50 -9.485 -6.471 -1.543 394 HD2 PRO 50 2HD PRO 50 -9.626 -3.783 -1.964 395 HD3 PRO 50 1HD PRO 50 -9.986 -4.507 -0.381 396 H LEU 51 HN LEU 51 -4.394 -4.277 -0.014 397 HA LEU 51 HA LEU 51 -3.683 -3.439 -2.770 398 HB2 LEU 51 2HB LEU 51 -2.276 -2.731 -0.174 399 HB3 LEU 51 1HB LEU 51 -1.886 -2.113 -1.778 400 HG LEU 51 HG LEU 51 -4.385 -1.521 -0.156 401 HD11 LEU 51 1HD1 LEU 51 -3.523 0.780 -0.157 402 HD12 LEU 51 2HD1 LEU 51 -2.067 0.247 -0.998 403 HD13 LEU 51 3HD1 LEU 51 -2.416 -0.337 0.632 404 HD21 LEU 51 3HD2 LEU 51 -4.976 -1.740 -2.520 405 HD22 LEU 51 1HD2 LEU 51 -3.682 -0.625 -2.974 406 HD23 LEU 51 2HD2 LEU 51 -5.057 -0.047 -2.022 407 H PHE 52 HN PHE 52 -2.554 -5.156 0.081 408 HA PHE 52 HA PHE 52 -0.913 -6.981 -1.536 409 HB2 PHE 52 2HB PHE 52 0.183 -5.608 0.974 410 HB3 PHE 52 1HB PHE 52 1.030 -6.794 -0.013 411 HD1 PHE 52 HD2 PHE 52 1.881 -6.168 -2.260 412 HD2 PHE 52 HD1 PHE 52 0.063 -3.268 0.298 413 HE1 PHE 52 HE2 PHE 52 2.752 -4.359 -3.676 414 HE2 PHE 52 HE1 PHE 52 0.936 -1.471 -1.131 415 HZ PHE 52 HZ PHE 52 2.275 -2.022 -3.118 416 H THR 53 HN THR 53 -0.182 -8.847 -0.076 417 HA THR 53 HA THR 53 -2.145 -9.403 2.069 418 HB THR 53 HB THR 53 -1.157 -11.532 0.102 419 HG1 THR 53 HG1 THR 53 -2.324 -10.095 -1.135 420 HG21 THR 53 3HG2 THR 53 -3.554 -11.477 1.978 421 HG22 THR 53 1HG2 THR 53 -2.062 -12.381 2.242 422 HG23 THR 53 2HG2 THR 53 -3.123 -12.802 0.895 423 H SER 54 HN SER 54 -1.323 -10.597 3.802 424 HA SER 54 HA SER 54 1.388 -10.710 4.443 425 HB2 SER 54 2HB SER 54 -0.477 -10.951 6.092 426 HB3 SER 54 1HB SER 54 -0.806 -12.567 5.467 427 HG SER 54 HG SER 54 1.618 -12.806 5.989 428 H LYS 55 HN LYS 55 -0.597 -12.996 2.657 429 HA LYS 55 HA LYS 55 1.010 -15.174 2.182 430 HB2 LYS 55 2HB LYS 55 -1.266 -14.926 1.320 431 HB3 LYS 55 1HB LYS 55 -0.776 -13.563 0.329 432 HG2 LYS 55 2HG LYS 55 0.705 -15.222 -0.958 433 HG3 LYS 55 1HG LYS 55 -0.179 -16.492 -0.107 434 HD2 LYS 55 2HD LYS 55 -1.177 -16.090 -2.315 435 HD3 LYS 55 1HD LYS 55 -2.315 -15.627 -1.050 436 HE2 LYS 55 2HE LYS 55 -1.697 -13.242 -1.377 437 HE3 LYS 55 1HE LYS 55 -0.549 -13.705 -2.631 438 HZ1 LYS 55 3HZ LYS 55 -2.558 -12.936 -3.619 439 HZ2 LYS 55 1HZ LYS 55 -3.497 -14.028 -2.724 440 HZ3 LYS 55 2HZ LYS 55 -2.425 -14.598 -3.900 441 H ASP 56 HN ASP 56 1.086 -12.027 0.420 442 HA ASP 56 HA ASP 56 3.549 -12.863 -0.989 443 HB2 ASP 56 2HB ASP 56 2.982 -11.073 -2.655 444 HB3 ASP 56 1HB ASP 56 1.787 -12.357 -2.561 445 H LYS 57 HN LYS 57 3.125 -11.379 1.811 446 HA LYS 57 HA LYS 57 4.458 -8.878 1.478 447 HB2 LYS 57 2HB LYS 57 4.599 -8.763 3.883 448 HB3 LYS 57 1HB LYS 57 3.047 -9.490 3.488 449 HG2 LYS 57 2HG LYS 57 3.945 -11.722 4.026 450 HG3 LYS 57 1HG LYS 57 5.515 -11.012 4.399 451 HD2 LYS 57 2HD LYS 57 4.481 -9.732 6.260 452 HD3 LYS 57 1HD LYS 57 2.913 -10.459 5.889 453 HE2 LYS 57 2HE LYS 57 4.030 -11.583 7.791 454 HE3 LYS 57 1HE LYS 57 3.795 -12.687 6.433 455 HZ1 LYS 57 3HZ LYS 57 6.322 -11.285 7.112 456 HZ2 LYS 57 1HZ LYS 57 6.106 -12.338 5.812 457 HZ3 LYS 57 2HZ LYS 57 5.993 -12.922 7.392 458 H PHE 58 HN PHE 58 6.578 -8.295 2.102 459 HA PHE 58 HA PHE 58 8.658 -10.405 2.094 460 HB2 PHE 58 2HB PHE 58 8.361 -9.477 -0.198 461 HB3 PHE 58 1HB PHE 58 8.621 -7.851 0.412 462 HD1 PHE 58 HD2 PHE 58 10.313 -11.189 0.114 463 HD2 PHE 58 HD1 PHE 58 10.801 -6.946 0.352 464 HE1 PHE 58 HE2 PHE 58 12.710 -11.429 -0.383 465 HE2 PHE 58 HE1 PHE 58 13.193 -7.203 -0.141 466 HZ PHE 58 HZ PHE 58 14.148 -9.438 -0.512 467 H ASP 59 HN ASP 59 10.714 -9.635 3.058 468 HA ASP 59 HA ASP 59 10.200 -8.298 5.512 469 HB2 ASP 59 2HB ASP 59 12.565 -8.666 6.055 470 HB3 ASP 59 1HB ASP 59 11.851 -10.122 5.375 471 H SER 60 HN SER 60 10.774 -6.285 6.231 472 HA SER 60 HA SER 60 11.034 -4.285 4.068 473 HB2 SER 60 2HB SER 60 9.492 -4.070 6.686 474 HB3 SER 60 1HB SER 60 9.466 -2.916 5.347 475 HG SER 60 HG SER 60 8.695 -5.640 5.056 476 H GLN 61 HN GLN 61 13.403 -4.607 4.560 477 HA GLN 61 HA GLN 61 14.366 -2.925 6.780 478 HB2 GLN 61 2HB GLN 61 16.635 -3.662 6.101 479 HB3 GLN 61 1HB GLN 61 15.565 -5.016 6.436 480 HG2 GLN 61 2HG GLN 61 15.255 -5.403 4.043 481 HG3 GLN 61 1HG GLN 61 16.281 -4.019 3.664 482 HE21 GLN 61 1HE2 GLN 61 17.718 -5.304 2.504 483 HE22 GLN 61 2HE2 GLN 61 18.808 -6.406 3.267 484 H CYS 62 HN CYS 62 13.129 -2.317 3.836 485 HA CYS 62 HA CYS 62 15.055 -0.342 2.844 486 HB2 CYS 62 2HB CYS 62 13.851 -1.897 1.298 487 HB3 CYS 62 1HB CYS 62 12.321 -1.177 1.773 488 HG CYS 62 HG CYS 62 12.894 1.316 0.666 489 H GLY 63 HN GLY 63 13.386 -0.016 5.451 490 HA2 GLY 63 2HA GLY 63 12.877 1.958 6.595 491 HA3 GLY 63 1HA GLY 63 12.816 2.826 5.069 492 H TRP 64 HN TRP 64 10.944 1.395 3.672 493 HA TRP 64 HA TRP 64 8.462 1.450 5.295 494 HB2 TRP 64 2HB TRP 64 8.978 2.260 2.405 495 HB3 TRP 64 1HB TRP 64 7.361 1.836 2.948 496 HD1 TRP 64 HD1 TRP 64 8.092 3.423 5.911 497 HE1 TRP 64 HE1 TRP 64 7.725 5.960 5.898 498 HE3 TRP 64 HE3 TRP 64 8.042 4.222 0.854 499 HZ2 TRP 64 HZ2 TRP 64 7.460 8.033 4.020 500 HZ3 TRP 64 HZ3 TRP 64 7.700 6.527 0.036 501 HH2 TRP 64 HH2 TRP 64 7.413 8.395 1.589 502 HA PRO 65 HA PRO 65 7.345 -2.881 4.482 503 HB2 PRO 65 2HB PRO 65 4.997 -1.523 3.109 504 HB3 PRO 65 1HB PRO 65 5.007 -2.975 4.126 505 HG2 PRO 65 2HG PRO 65 4.313 -0.629 5.171 506 HG3 PRO 65 1HG PRO 65 5.325 -1.754 6.102 507 HD2 PRO 65 2HD PRO 65 6.085 0.807 4.771 508 HD3 PRO 65 1HD PRO 65 6.820 0.005 6.175 509 H SER 66 HN SER 66 8.416 -4.000 3.032 510 HA SER 66 HA SER 66 8.626 -3.131 0.224 511 HB2 SER 66 2HB SER 66 10.351 -5.127 1.756 512 HB3 SER 66 1HB SER 66 10.685 -4.447 0.160 513 HG SER 66 HG SER 66 10.270 -2.494 2.012 514 H PHE 67 HN PHE 67 7.947 -4.450 -1.428 515 HA PHE 67 HA PHE 67 7.052 -7.204 -0.884 516 HB2 PHE 67 2HB PHE 67 5.309 -5.179 -2.376 517 HB3 PHE 67 1HB PHE 67 4.900 -6.854 -2.024 518 HD1 PHE 67 HD2 PHE 67 4.353 -7.538 0.324 519 HD2 PHE 67 HD1 PHE 67 4.988 -3.442 -0.723 520 HE1 PHE 67 HE2 PHE 67 3.292 -6.829 2.426 521 HE2 PHE 67 HE1 PHE 67 3.927 -2.744 1.382 522 HZ PHE 67 HZ PHE 67 3.083 -4.436 2.956 523 H THR 68 HN THR 68 7.142 -8.557 -2.705 524 HA THR 68 HA THR 68 8.670 -7.593 -5.029 525 HB THR 68 HB THR 68 8.809 -10.041 -5.628 526 HG1 THR 68 HG1 THR 68 7.113 -11.022 -4.688 527 HG21 THR 68 3HG2 THR 68 10.364 -10.687 -3.821 528 HG22 THR 68 1HG2 THR 68 9.739 -9.390 -2.799 529 HG23 THR 68 2HG2 THR 68 10.614 -9.003 -4.285 530 H LYS 69 HN LYS 69 5.436 -8.501 -4.132 531 HA LYS 69 HA LYS 69 4.436 -8.001 -6.825 532 HB2 LYS 69 2HB LYS 69 4.744 -10.484 -6.783 533 HB3 LYS 69 1HB LYS 69 3.738 -10.590 -5.339 534 HG2 LYS 69 2HG LYS 69 1.865 -9.528 -6.734 535 HG3 LYS 69 1HG LYS 69 2.892 -9.791 -8.143 536 HD2 LYS 69 2HD LYS 69 2.811 -12.207 -7.792 537 HD3 LYS 69 1HD LYS 69 1.915 -11.992 -6.284 538 HE2 LYS 69 2HE LYS 69 0.039 -10.966 -7.584 539 HE3 LYS 69 1HE LYS 69 0.933 -11.278 -9.075 540 HZ1 LYS 69 3HZ LYS 69 0.009 -13.339 -7.151 541 HZ2 LYS 69 1HZ LYS 69 0.840 -13.635 -8.595 542 HZ3 LYS 69 2HZ LYS 69 -0.718 -12.979 -8.636 543 HA PRO 70 HA PRO 70 1.101 -6.411 -4.135 544 HB2 PRO 70 2HB PRO 70 -0.052 -4.768 -5.863 545 HB3 PRO 70 1HB PRO 70 1.632 -4.485 -5.392 546 HG2 PRO 70 2HG PRO 70 0.555 -5.741 -7.906 547 HG3 PRO 70 1HG PRO 70 1.880 -4.572 -7.719 548 HD2 PRO 70 2HD PRO 70 2.167 -7.382 -7.908 549 HD3 PRO 70 1HD PRO 70 3.414 -6.247 -7.354 550 H ILE 71 HN ILE 71 -1.310 -6.076 -4.424 551 HA ILE 71 HA ILE 71 -2.680 -8.296 -5.741 552 HB ILE 71 HB ILE 71 -3.685 -6.002 -4.000 553 HG12 ILE 71 2HG1 ILE 71 -3.680 -9.019 -3.534 554 HG13 ILE 71 1HG1 ILE 71 -2.543 -7.882 -2.818 555 HG21 ILE 71 1HG2 ILE 71 -5.393 -8.115 -5.353 556 HG22 ILE 71 2HG2 ILE 71 -5.393 -6.386 -5.699 557 HG23 ILE 71 3HG2 ILE 71 -5.959 -6.965 -4.134 558 HD11 ILE 71 3HD1 ILE 71 -5.510 -8.014 -2.313 559 HD12 ILE 71 1HD1 ILE 71 -4.417 -6.812 -1.617 560 HD13 ILE 71 2HD1 ILE 71 -4.224 -8.525 -1.223 561 H GLU 72 HN GLU 72 -3.173 -8.079 -7.821 562 HA GLU 72 HA GLU 72 -2.331 -5.872 -9.360 563 HB2 GLU 72 2HB GLU 72 -4.143 -8.151 -10.223 564 HB3 GLU 72 1HB GLU 72 -3.192 -7.124 -11.291 565 HG2 GLU 72 2HG GLU 72 -2.091 -9.082 -9.250 566 HG3 GLU 72 1HG GLU 72 -2.181 -9.350 -10.989 567 H GLU 73 HN GLU 73 -5.314 -6.534 -7.833 568 HA GLU 73 HA GLU 73 -7.167 -5.392 -9.628 569 HB2 GLU 73 2HB GLU 73 -7.699 -7.032 -7.802 570 HB3 GLU 73 1HB GLU 73 -7.396 -5.776 -6.607 571 HG2 GLU 73 2HG GLU 73 -9.785 -6.036 -6.914 572 HG3 GLU 73 1HG GLU 73 -9.290 -4.461 -7.530 573 H GLU 74 HN GLU 74 -5.592 -4.040 -6.677 574 HA GLU 74 HA GLU 74 -6.805 -1.392 -7.295 575 HB2 GLU 74 2HB GLU 74 -7.771 -2.543 -5.318 576 HB3 GLU 74 1HB GLU 74 -6.180 -2.617 -4.573 577 HG2 GLU 74 2HG GLU 74 -7.644 -0.840 -3.642 578 HG3 GLU 74 1HG GLU 74 -6.119 -0.238 -4.281 579 H VAL 75 HN VAL 75 -3.916 -2.847 -7.571 580 HA VAL 75 HA VAL 75 -2.404 -0.391 -6.926 581 HB VAL 75 HB VAL 75 -1.354 -3.247 -7.149 582 HG11 VAL 75 1HG1 VAL 75 0.155 -0.650 -6.626 583 HG12 VAL 75 2HG1 VAL 75 0.294 -1.664 -8.066 584 HG13 VAL 75 3HG1 VAL 75 0.850 -2.266 -6.504 585 HG21 VAL 75 3HG2 VAL 75 -2.535 -2.820 -5.014 586 HG22 VAL 75 1HG2 VAL 75 -1.536 -1.384 -4.740 587 HG23 VAL 75 2HG2 VAL 75 -0.801 -2.988 -4.740 588 H GLU 76 HN GLU 76 -1.706 0.717 -8.603 589 HA GLU 76 HA GLU 76 -1.386 -0.521 -11.269 590 HB2 GLU 76 2HB GLU 76 -3.650 0.524 -11.114 591 HB3 GLU 76 1HB GLU 76 -2.912 2.068 -10.713 592 HG2 GLU 76 2HG GLU 76 -1.893 2.200 -12.925 593 HG3 GLU 76 1HG GLU 76 -2.463 0.581 -13.322 594 H GLU 77 HN GLU 77 0.561 -0.015 -12.069 595 HA GLU 77 HA GLU 77 2.303 1.833 -10.639 596 HB2 GLU 77 2HB GLU 77 4.086 0.796 -12.050 597 HB3 GLU 77 1HB GLU 77 3.130 -0.407 -11.191 598 HG2 GLU 77 2HG GLU 77 1.767 -0.624 -13.375 599 HG3 GLU 77 1HG GLU 77 3.076 0.270 -14.142 600 H LYS 78 HN LYS 78 3.450 3.556 -11.632 601 HA LYS 78 HA LYS 78 2.664 4.527 -14.291 602 HB2 LYS 78 2HB LYS 78 2.087 5.994 -11.684 603 HB3 LYS 78 1HB LYS 78 2.333 6.894 -13.174 604 HG2 LYS 78 2HG LYS 78 0.178 4.800 -12.741 605 HG3 LYS 78 1HG LYS 78 -0.056 6.548 -12.639 606 HD2 LYS 78 2HD LYS 78 0.594 6.761 -15.035 607 HD3 LYS 78 1HD LYS 78 0.813 5.012 -15.122 608 HE2 LYS 78 2HE LYS 78 -1.816 6.418 -14.528 609 HE3 LYS 78 1HE LYS 78 -1.349 5.727 -16.082 610 HZ1 LYS 78 3HZ LYS 78 -1.235 3.563 -15.043 611 HZ2 LYS 78 1HZ LYS 78 -2.769 4.238 -14.849 612 HZ3 LYS 78 2HZ LYS 78 -1.687 4.219 -13.555 613 H LEU 79 HN LEU 79 4.652 4.704 -15.206 614 HA LEU 79 HA LEU 79 7.039 5.391 -13.788 615 HB2 LEU 79 2HB LEU 79 7.057 3.938 -15.800 616 HB3 LEU 79 1HB LEU 79 6.471 5.274 -16.776 617 HG LEU 79 HG LEU 79 8.594 6.519 -16.324 618 HD11 LEU 79 1HD1 LEU 79 10.512 5.391 -15.305 619 HD12 LEU 79 2HD1 LEU 79 9.511 3.982 -14.947 620 HD13 LEU 79 3HD1 LEU 79 9.174 5.524 -14.160 621 HD21 LEU 79 3HD2 LEU 79 8.376 5.168 -18.367 622 HD22 LEU 79 1HD2 LEU 79 9.038 3.772 -17.518 623 HD23 LEU 79 2HD2 LEU 79 10.041 5.201 -17.785 624 H ASP 80 HN ASP 80 8.093 7.316 -13.751 625 HA ASP 80 HA ASP 80 6.895 9.710 -14.998 626 HB2 ASP 80 2HB ASP 80 6.357 9.649 -12.562 627 HB3 ASP 80 1HB ASP 80 8.064 9.496 -12.180 628 H THR 81 HN THR 81 8.350 11.206 -15.724 629 HA THR 81 HA THR 81 11.246 10.846 -15.363 630 HB THR 81 HB THR 81 10.015 11.294 -18.132 631 HG1 THR 81 HG1 THR 81 10.501 8.933 -16.711 632 HG21 THR 81 3HG2 THR 81 12.383 12.038 -17.920 633 HG22 THR 81 1HG2 THR 81 12.240 10.636 -18.986 634 HG23 THR 81 2HG2 THR 81 12.829 10.435 -17.334 635 H SER 82 HN SER 82 8.769 12.748 -14.756 636 HA SER 82 HA SER 82 9.115 15.201 -16.155 637 HB2 SER 82 2HB SER 82 7.778 14.733 -13.450 638 HB3 SER 82 1HB SER 82 7.557 16.149 -14.482 639 HG SER 82 HG SER 82 6.660 13.510 -14.835 640 H HIS 83 HN HIS 83 10.558 13.951 -13.176 641 HA HIS 83 HA HIS 83 11.805 16.503 -12.455 642 HB2 HIS 83 2HB HIS 83 10.939 14.883 -10.712 643 HB3 HIS 83 1HB HIS 83 12.200 13.750 -11.187 644 HD1 HIS 83 HD1 HIS 83 14.195 13.857 -9.716 645 HD2 HIS 83 HD2 HIS 83 12.220 17.514 -9.873 646 HE1 HIS 83 HE1 HIS 83 15.493 15.392 -8.205 647 HE2 HIS 83 HE2 HIS 83 14.321 17.605 -8.360 648 H GLY 84 HN GLY 84 12.442 14.618 -14.945 649 HA2 GLY 84 2HA GLY 84 14.261 14.276 -16.300 650 HA3 GLY 84 1HA GLY 84 15.233 15.229 -15.184 651 H MET 85 HN MET 85 13.394 12.395 -14.251 652 HA MET 85 HA MET 85 15.743 10.663 -14.066 653 HB2 MET 85 2HB MET 85 15.843 11.946 -11.956 654 HB3 MET 85 1HB MET 85 14.160 11.582 -11.615 655 HG2 MET 85 2HG MET 85 14.773 9.154 -11.462 656 HG3 MET 85 1HG MET 85 16.466 9.613 -11.658 657 HE1 MET 85 3HE MET 85 16.229 8.594 -7.858 658 HE2 MET 85 1HE MET 85 17.037 8.293 -9.397 659 HE3 MET 85 2HE MET 85 15.338 7.865 -9.193 660 H ILE 86 HN ILE 86 15.174 8.547 -14.242 661 HA ILE 86 HA ILE 86 12.448 7.719 -14.631 662 HB ILE 86 HB ILE 86 15.021 6.090 -14.427 663 HG12 ILE 86 2HG1 ILE 86 15.035 7.580 -16.374 664 HG13 ILE 86 1HG1 ILE 86 14.874 5.910 -16.903 665 HG21 ILE 86 1HG2 ILE 86 13.122 4.637 -13.863 666 HG22 ILE 86 2HG2 ILE 86 13.778 4.201 -15.441 667 HG23 ILE 86 3HG2 ILE 86 12.278 5.125 -15.335 668 HD11 ILE 86 3HD1 ILE 86 13.466 7.355 -18.201 669 HD12 ILE 86 1HD1 ILE 86 12.668 7.959 -16.749 670 HD13 ILE 86 2HD1 ILE 86 12.466 6.271 -17.236 671 H ARG 87 HN ARG 87 11.152 7.578 -12.919 672 HA ARG 87 HA ARG 87 11.817 5.745 -10.732 673 HB2 ARG 87 2HB ARG 87 12.138 8.147 -9.867 674 HB3 ARG 87 1HB ARG 87 10.442 8.450 -10.229 675 HG2 ARG 87 2HG ARG 87 9.934 6.454 -8.649 676 HG3 ARG 87 1HG ARG 87 11.616 6.583 -8.139 677 HD2 ARG 87 2HD ARG 87 10.404 7.806 -6.523 678 HD3 ARG 87 1HD ARG 87 11.071 9.051 -7.586 679 HE ARG 87 HE ARG 87 8.430 8.197 -8.354 680 HH11 ARG 87 1HH1 ARG 87 10.156 10.486 -6.328 681 HH12 ARG 87 2HH1 ARG 87 8.769 11.503 -6.103 682 HH21 ARG 87 1HH2 ARG 87 6.633 9.568 -8.069 683 HH22 ARG 87 2HH2 ARG 87 6.798 10.990 -7.086 684 H THR 88 HN THR 88 9.978 4.478 -10.266 685 HA THR 88 HA THR 88 7.510 5.155 -11.763 686 HB THR 88 HB THR 88 8.336 2.379 -10.772 687 HG1 THR 88 HG1 THR 88 9.728 3.335 -12.458 688 HG21 THR 88 3HG2 THR 88 5.908 2.649 -11.136 689 HG22 THR 88 1HG2 THR 88 6.606 1.590 -12.366 690 HG23 THR 88 2HG2 THR 88 6.205 3.262 -12.764 691 H GLU 89 HN GLU 89 5.687 5.393 -10.551 692 HA GLU 89 HA GLU 89 5.764 4.750 -7.662 693 HB2 GLU 89 2HB GLU 89 4.352 6.751 -7.257 694 HB3 GLU 89 1HB GLU 89 5.921 7.163 -7.945 695 HG2 GLU 89 2HG GLU 89 4.822 7.345 -10.197 696 HG3 GLU 89 1HG GLU 89 3.262 7.107 -9.407 697 H VAL 90 HN VAL 90 3.975 3.801 -6.787 698 HA VAL 90 HA VAL 90 1.951 2.837 -8.685 699 HB VAL 90 HB VAL 90 1.228 1.272 -6.835 700 HG11 VAL 90 1HG1 VAL 90 2.684 0.497 -8.652 701 HG12 VAL 90 2HG1 VAL 90 3.158 -0.276 -7.136 702 HG13 VAL 90 3HG1 VAL 90 4.116 1.061 -7.781 703 HG21 VAL 90 3HG2 VAL 90 3.783 2.198 -5.458 704 HG22 VAL 90 1HG2 VAL 90 2.750 0.861 -4.935 705 HG23 VAL 90 2HG2 VAL 90 2.144 2.518 -4.890 706 H ARG 91 HN ARG 91 -0.011 3.514 -8.634 707 HA ARG 91 HA ARG 91 -1.273 5.067 -6.626 708 HB2 ARG 91 2HB ARG 91 -1.340 7.198 -7.933 709 HB3 ARG 91 1HB ARG 91 0.289 6.789 -7.419 710 HG2 ARG 91 2HG ARG 91 0.721 5.904 -9.746 711 HG3 ARG 91 1HG ARG 91 -0.862 6.530 -10.214 712 HD2 ARG 91 2HD ARG 91 1.509 8.143 -9.218 713 HD3 ARG 91 1HD ARG 91 0.880 8.102 -10.866 714 HE ARG 91 HE ARG 91 -1.218 8.938 -9.267 715 HH11 ARG 91 1HH1 ARG 91 2.008 10.145 -9.963 716 HH12 ARG 91 2HH1 ARG 91 1.537 11.805 -9.820 717 HH21 ARG 91 1HH2 ARG 91 -1.802 11.120 -9.055 718 HH22 ARG 91 2HH2 ARG 91 -0.606 12.359 -9.286 719 H SER 92 HN SER 92 -3.292 4.293 -6.851 720 HA SER 92 HA SER 92 -4.142 3.113 -9.378 721 HB2 SER 92 2HB SER 92 -4.510 2.061 -7.111 722 HB3 SER 92 1HB SER 92 -5.667 3.341 -6.757 723 HG SER 92 HG SER 92 -6.625 1.405 -7.547 724 H ARG 93 HN ARG 93 -6.770 3.559 -9.672 725 HA ARG 93 HA ARG 93 -7.069 6.280 -10.482 726 HB2 ARG 93 2HB ARG 93 -9.199 4.125 -10.112 727 HB3 ARG 93 1HB ARG 93 -9.434 5.659 -10.954 728 HG2 ARG 93 2HG ARG 93 -7.716 5.016 -12.617 729 HG3 ARG 93 1HG ARG 93 -7.479 3.482 -11.780 730 HD2 ARG 93 2HD ARG 93 -9.892 2.934 -12.247 731 HD3 ARG 93 1HD ARG 93 -9.985 4.405 -13.226 732 HE ARG 93 HE ARG 93 -7.844 3.073 -14.257 733 HH11 ARG 93 1HH1 ARG 93 -11.165 2.092 -13.714 734 HH12 ARG 93 2HH1 ARG 93 -11.190 1.008 -15.063 735 HH21 ARG 93 1HH2 ARG 93 -7.871 1.645 -15.997 736 HH22 ARG 93 2HH2 ARG 93 -9.307 0.737 -16.356 737 H THR 94 HN THR 94 -8.643 4.466 -7.806 738 HA THR 94 HA THR 94 -9.621 6.868 -6.505 739 HB THR 94 HB THR 94 -9.626 3.977 -5.493 740 HG1 THR 94 HG1 THR 94 -10.858 3.899 -7.291 741 HG21 THR 94 3HG2 THR 94 -11.353 6.350 -4.677 742 HG22 THR 94 1HG2 THR 94 -10.081 5.619 -3.692 743 HG23 THR 94 2HG2 THR 94 -11.534 4.697 -4.088 744 H ALA 95 HN ALA 95 -7.113 4.430 -5.928 745 HA ALA 95 HA ALA 95 -6.132 5.682 -3.496 746 HB1 ALA 95 3HB ALA 95 -6.304 3.227 -3.688 747 HB2 ALA 95 1HB ALA 95 -4.673 3.766 -3.281 748 HB3 ALA 95 2HB ALA 95 -5.050 3.253 -4.927 749 H ASP 96 HN ASP 96 -5.803 6.947 -6.251 750 HA ASP 96 HA ASP 96 -3.373 7.089 -7.414 751 HB2 ASP 96 2HB ASP 96 -5.397 8.296 -8.134 752 HB3 ASP 96 1HB ASP 96 -5.212 9.426 -6.801 753 H SER 97 HN SER 97 -3.853 8.214 -4.174 754 HA SER 97 HA SER 97 -1.174 9.510 -4.150 755 HB2 SER 97 2HB SER 97 -2.083 11.330 -2.699 756 HB3 SER 97 1HB SER 97 -2.854 11.310 -4.285 757 HG SER 97 HG SER 97 -4.350 11.540 -2.542 758 H HIS 98 HN HIS 98 -2.963 7.087 -2.966 759 HA HIS 98 HA HIS 98 -2.278 7.289 -0.136 760 HB2 HIS 98 2HB HIS 98 -3.805 5.088 -1.593 761 HB3 HIS 98 1HB HIS 98 -3.738 5.356 0.148 762 HD1 HIS 98 HD1 HIS 98 -6.404 5.356 -1.559 763 HD2 HIS 98 HD2 HIS 98 -4.358 8.747 -0.303 764 HE1 HIS 98 HE1 HIS 98 -8.078 7.231 -1.666 765 HE2 HIS 98 HE2 HIS 98 -6.868 9.211 -0.686 766 H LEU 99 HN LEU 99 -1.519 5.168 -2.920 767 HA LEU 99 HA LEU 99 -0.581 2.985 -1.465 768 HB2 LEU 99 2HB LEU 99 0.239 3.671 -4.300 769 HB3 LEU 99 1HB LEU 99 0.282 2.081 -3.558 770 HG LEU 99 HG LEU 99 -2.177 3.681 -4.346 771 HD11 LEU 99 1HD1 LEU 99 -1.154 1.004 -5.342 772 HD12 LEU 99 2HD1 LEU 99 -1.103 2.538 -6.214 773 HD13 LEU 99 3HD1 LEU 99 -2.654 1.794 -5.838 774 HD21 LEU 99 3HD2 LEU 99 -3.532 1.795 -3.523 775 HD22 LEU 99 1HD2 LEU 99 -2.675 2.623 -2.226 776 HD23 LEU 99 2HD2 LEU 99 -2.087 1.066 -2.820 777 H GLY 100 HN GLY 100 1.706 4.831 -3.588 778 HA2 GLY 100 2HA GLY 100 3.751 5.497 -1.946 779 HA3 GLY 100 1HA GLY 100 3.915 3.743 -2.017 780 H HIS 101 HN HIS 101 5.992 4.106 -2.969 781 HA HIS 101 HA HIS 101 5.836 4.485 -5.892 782 HB2 HIS 101 2HB HIS 101 7.931 5.716 -5.965 783 HB3 HIS 101 1HB HIS 101 6.839 6.564 -4.875 784 HD1 HIS 101 HD1 HIS 101 7.367 6.292 -2.278 785 HD2 HIS 101 HD2 HIS 101 10.335 4.967 -4.868 786 HE1 HIS 101 HE1 HIS 101 9.440 6.087 -0.873 787 HE2 HIS 101 HE2 HIS 101 11.253 5.458 -2.497 788 H VAL 102 HN VAL 102 7.820 3.503 -6.929 789 HA VAL 102 HA VAL 102 8.831 1.138 -5.510 790 HB VAL 102 HB VAL 102 8.287 -0.372 -7.389 791 HG11 VAL 102 1HG1 VAL 102 5.792 1.055 -6.411 792 HG12 VAL 102 2HG1 VAL 102 6.663 -0.197 -5.534 793 HG13 VAL 102 3HG1 VAL 102 5.870 -0.591 -7.056 794 HG21 VAL 102 3HG2 VAL 102 6.803 1.988 -8.583 795 HG22 VAL 102 1HG2 VAL 102 6.733 0.324 -9.183 796 HG23 VAL 102 2HG2 VAL 102 8.252 1.217 -9.231 797 H PHE 103 HN PHE 103 10.792 0.361 -6.301 798 HA PHE 103 HA PHE 103 12.289 2.278 -7.955 799 HB2 PHE 103 2HB PHE 103 13.060 1.542 -5.590 800 HB3 PHE 103 1HB PHE 103 13.506 0.011 -6.329 801 HD1 PHE 103 HD2 PHE 103 13.879 3.503 -7.675 802 HD2 PHE 103 HD1 PHE 103 15.881 0.009 -6.229 803 HE1 PHE 103 HE2 PHE 103 16.051 4.501 -8.256 804 HE2 PHE 103 HE1 PHE 103 18.043 1.024 -6.799 805 HZ PHE 103 HZ PHE 103 18.135 3.264 -7.811 806 H ASN 104 HN ASN 104 13.390 1.690 -9.790 807 HA ASN 104 HA ASN 104 12.266 -0.504 -11.313 808 HB2 ASN 104 2HB ASN 104 14.206 1.730 -12.036 809 HB3 ASN 104 1HB ASN 104 13.663 0.524 -13.195 810 HD21 ASN 104 1HD2 ASN 104 11.506 0.574 -13.917 811 HD22 ASN 104 2HD2 ASN 104 10.496 1.960 -13.699 812 H ASP 105 HN ASP 105 14.531 -0.741 -9.127 813 HA ASP 105 HA ASP 105 16.258 -2.643 -10.613 814 HB2 ASP 105 2HB ASP 105 17.052 -0.845 -8.278 815 HB3 ASP 105 1HB ASP 105 18.092 -2.046 -9.037 816 H GLY 106 HN GLY 106 13.741 -3.153 -9.292 817 HA2 GLY 106 2HA GLY 106 14.554 -4.847 -6.972 818 HA3 GLY 106 1HA GLY 106 12.977 -4.096 -7.158 819 HA PRO 107 HA PRO 107 12.927 -8.335 -9.325 820 HB2 PRO 107 2HB PRO 107 12.748 -10.224 -7.409 821 HB3 PRO 107 1HB PRO 107 14.313 -9.564 -7.902 822 HG2 PRO 107 2HG PRO 107 12.670 -8.915 -5.464 823 HG3 PRO 107 1HG PRO 107 14.428 -9.111 -5.612 824 HD2 PRO 107 2HD PRO 107 13.072 -6.653 -5.603 825 HD3 PRO 107 1HD PRO 107 14.724 -6.904 -6.206 826 H GLY 108 HN GLY 108 10.920 -8.513 -10.121 827 HA2 GLY 108 2HA GLY 108 8.765 -9.572 -8.535 828 HA3 GLY 108 1HA GLY 108 8.476 -7.915 -9.064 829 HA PRO 109 HA PRO 109 7.004 -10.897 -12.467 830 HB2 PRO 109 2HB PRO 109 4.544 -9.183 -12.240 831 HB3 PRO 109 1HB PRO 109 4.686 -10.943 -12.335 832 HG2 PRO 109 2HG PRO 109 4.038 -9.777 -10.025 833 HG3 PRO 109 1HG PRO 109 5.146 -11.170 -10.050 834 HD2 PRO 109 2HD PRO 109 5.816 -8.222 -9.835 835 HD3 PRO 109 1HD PRO 109 6.429 -9.589 -8.870 836 H ASN 110 HN ASN 110 6.628 -7.472 -11.950 837 HA ASN 110 HA ASN 110 6.897 -6.762 -14.788 838 HB2 ASN 110 2HB ASN 110 6.235 -4.472 -13.994 839 HB3 ASN 110 1HB ASN 110 5.044 -5.706 -13.612 840 HD21 ASN 110 1HD2 ASN 110 5.165 -3.226 -12.369 841 HD22 ASN 110 2HD2 ASN 110 5.529 -3.453 -10.695 842 H GLY 111 HN GLY 111 8.710 -6.874 -11.872 843 HA2 GLY 111 2HA GLY 111 11.060 -6.778 -11.756 844 HA3 GLY 111 1HA GLY 111 11.098 -5.810 -13.224 845 H LEU 112 HN LEU 112 8.937 -5.110 -10.586 846 HA LEU 112 HA LEU 112 10.516 -2.736 -9.784 847 HB2 LEU 112 2HB LEU 112 7.490 -3.088 -9.956 848 HB3 LEU 112 1HB LEU 112 8.268 -1.722 -9.164 849 HG LEU 112 HG LEU 112 8.625 -2.399 -12.117 850 HD11 LEU 112 1HD1 LEU 112 6.318 -1.742 -11.721 851 HD12 LEU 112 2HD1 LEU 112 7.172 -0.472 -12.589 852 HD13 LEU 112 3HD1 LEU 112 6.845 -0.297 -10.864 853 HD21 LEU 112 3HD2 LEU 112 9.433 0.069 -10.544 854 HD22 LEU 112 1HD2 LEU 112 9.610 -0.140 -12.291 855 HD23 LEU 112 2HD2 LEU 112 10.523 -1.162 -11.184 856 H ARG 113 HN ARG 113 10.198 -2.115 -7.487 857 HA ARG 113 HA ARG 113 9.348 -4.346 -5.736 858 HB2 ARG 113 2HB ARG 113 11.192 -4.026 -4.199 859 HB3 ARG 113 1HB ARG 113 11.842 -4.304 -5.807 860 HG2 ARG 113 2HG ARG 113 12.335 -1.912 -6.057 861 HG3 ARG 113 1HG ARG 113 11.610 -1.588 -4.481 862 HD2 ARG 113 2HD ARG 113 13.358 -3.162 -3.494 863 HD3 ARG 113 1HD ARG 113 14.147 -3.129 -5.077 864 HE ARG 113 HE ARG 113 13.657 -0.496 -4.089 865 HH11 ARG 113 1HH1 ARG 113 15.913 -3.176 -3.836 866 HH12 ARG 113 2HH1 ARG 113 17.162 -2.205 -3.127 867 HH21 ARG 113 1HH2 ARG 113 15.245 0.742 -3.135 868 HH22 ARG 113 2HH2 ARG 113 16.773 0.034 -2.717 869 H TYR 114 HN TYR 114 8.036 -3.779 -4.176 870 HA TYR 114 HA TYR 114 6.902 -1.120 -4.376 871 HB2 TYR 114 2HB TYR 114 5.835 -3.680 -3.107 872 HB3 TYR 114 1HB TYR 114 4.911 -2.192 -3.321 873 HD1 TYR 114 HD2 TYR 114 6.681 -4.901 -5.206 874 HD2 TYR 114 HD1 TYR 114 3.844 -1.713 -5.448 875 HE1 TYR 114 HE2 TYR 114 6.163 -5.541 -7.518 876 HE2 TYR 114 HE1 TYR 114 3.329 -2.354 -7.767 877 HH TYR 114 HH TYR 114 4.502 -5.287 -9.175 878 H CYS 115 HN CYS 115 7.876 0.339 -3.105 879 HA CYS 115 HA CYS 115 8.316 -0.328 -0.232 880 HB2 CYS 115 2HB CYS 115 9.864 1.692 -0.247 881 HB3 CYS 115 1HB CYS 115 10.424 0.352 -1.239 882 HG CYS 115 HG CYS 115 8.710 2.919 -2.649 883 H ILE 116 HN ILE 116 6.476 0.160 0.690 884 HA ILE 116 HA ILE 116 4.725 2.247 -0.462 885 HB ILE 116 HB ILE 116 4.014 -0.362 0.977 886 HG12 ILE 116 2HG1 ILE 116 5.078 -0.798 -1.216 887 HG13 ILE 116 1HG1 ILE 116 3.378 -1.224 -1.249 888 HG21 ILE 116 1HG2 ILE 116 2.192 1.556 -0.522 889 HG22 ILE 116 2HG2 ILE 116 2.246 1.336 1.226 890 HG23 ILE 116 3HG2 ILE 116 1.712 0.012 0.191 891 HD11 ILE 116 3HD1 ILE 116 4.066 -0.147 -3.303 892 HD12 ILE 116 1HD1 ILE 116 4.586 1.282 -2.410 893 HD13 ILE 116 2HD1 ILE 116 2.875 0.843 -2.457 894 H ASN 117 HN ASN 117 3.602 3.602 0.922 895 HA ASN 117 HA ASN 117 5.074 4.569 3.071 896 HB2 ASN 117 2HB ASN 117 2.131 5.100 2.513 897 HB3 ASN 117 1HB ASN 117 3.222 6.119 3.444 898 HD21 ASN 117 1HD2 ASN 117 2.000 5.429 0.361 899 HD22 ASN 117 2HD2 ASN 117 3.026 6.483 -0.541 900 H SER 118 HN SER 118 5.317 3.778 5.029 901 HA SER 118 HA SER 118 3.933 1.624 6.153 902 HB2 SER 118 2HB SER 118 6.265 2.365 6.741 903 HB3 SER 118 1HB SER 118 5.573 3.728 7.621 904 HG SER 118 HG SER 118 4.435 2.083 8.893 905 H ALA 119 HN ALA 119 3.453 5.086 6.457 906 HA ALA 119 HA ALA 119 1.520 5.003 8.585 907 HB1 ALA 119 3HB ALA 119 1.275 7.405 8.141 908 HB2 ALA 119 1HB ALA 119 2.215 7.236 6.652 909 HB3 ALA 119 2HB ALA 119 2.979 6.950 8.218 910 H ALA 120 HN ALA 120 1.332 4.392 5.181 911 HA ALA 120 HA ALA 120 -1.446 5.277 4.929 912 HB1 ALA 120 3HB ALA 120 0.091 5.779 3.081 913 HB2 ALA 120 1HB ALA 120 -1.228 4.729 2.558 914 HB3 ALA 120 2HB ALA 120 0.381 4.054 2.843 915 H LEU 121 HN LEU 121 0.278 2.417 5.698 916 HA LEU 121 HA LEU 121 -1.772 0.631 4.623 917 HB2 LEU 121 2HB LEU 121 0.946 0.020 5.815 918 HB3 LEU 121 1HB LEU 121 -0.161 -1.176 5.138 919 HG LEU 121 HG LEU 121 1.265 1.047 3.636 920 HD11 LEU 121 1HD1 LEU 121 1.520 -1.960 3.511 921 HD12 LEU 121 2HD1 LEU 121 2.699 -0.796 4.133 922 HD13 LEU 121 3HD1 LEU 121 2.309 -0.817 2.420 923 HD21 LEU 121 3HD2 LEU 121 0.188 0.130 1.585 924 HD22 LEU 121 1HD2 LEU 121 -0.950 0.886 2.698 925 HD23 LEU 121 2HD2 LEU 121 -0.847 -0.877 2.598 926 H ARG 122 HN ARG 122 -2.836 -0.832 5.781 927 HA ARG 122 HA ARG 122 -2.616 -0.869 8.735 928 HB2 ARG 122 2HB ARG 122 -4.737 0.306 7.913 929 HB3 ARG 122 1HB ARG 122 -5.212 -1.200 7.139 930 HG2 ARG 122 2HG ARG 122 -5.041 -2.255 9.496 931 HG3 ARG 122 1HG ARG 122 -4.979 -0.598 10.102 932 HD2 ARG 122 2HD ARG 122 -7.223 -1.860 8.487 933 HD3 ARG 122 1HD ARG 122 -7.263 -1.485 10.206 934 HE ARG 122 HE ARG 122 -6.964 0.935 9.376 935 HH11 ARG 122 1HH1 ARG 122 -8.730 -1.497 7.572 936 HH12 ARG 122 2HH1 ARG 122 -9.933 -0.398 6.992 937 HH21 ARG 122 1HH2 ARG 122 -8.591 2.394 8.611 938 HH22 ARG 122 2HH2 ARG 122 -9.836 1.805 7.563 939 H PHE 123 HN PHE 123 -2.051 -2.855 9.385 940 HA PHE 123 HA PHE 123 -2.292 -5.255 7.790 941 HB2 PHE 123 2HB PHE 123 -1.721 -4.942 10.780 942 HB3 PHE 123 1HB PHE 123 -1.550 -6.426 9.857 943 HD1 PHE 123 HD2 PHE 123 -0.267 -2.881 9.823 944 HD2 PHE 123 HD1 PHE 123 0.612 -7.023 9.205 945 HE1 PHE 123 HE2 PHE 123 2.102 -2.332 9.466 946 HE2 PHE 123 HE1 PHE 123 2.982 -6.462 8.867 947 HZ PHE 123 HZ PHE 123 3.732 -4.120 8.997 948 H VAL 124 HN VAL 124 -4.320 -6.143 7.495 949 HA VAL 124 HA VAL 124 -6.398 -5.656 9.551 950 HB VAL 124 HB VAL 124 -7.047 -6.151 6.621 951 HG11 VAL 124 1HG1 VAL 124 -9.182 -5.034 7.225 952 HG12 VAL 124 2HG1 VAL 124 -8.610 -4.845 8.883 953 HG13 VAL 124 3HG1 VAL 124 -8.889 -6.459 8.223 954 HG21 VAL 124 3HG2 VAL 124 -7.299 -3.719 6.294 955 HG22 VAL 124 1HG2 VAL 124 -5.628 -4.176 6.618 956 HG23 VAL 124 2HG2 VAL 124 -6.600 -3.433 7.889 957 HA PRO 125 HA PRO 125 -5.878 -10.219 9.630 958 HB2 PRO 125 2HB PRO 125 -7.410 -10.586 11.908 959 HB3 PRO 125 1HB PRO 125 -5.700 -10.138 11.938 960 HG2 PRO 125 2HG PRO 125 -8.119 -8.349 12.158 961 HG3 PRO 125 1HG PRO 125 -6.646 -8.364 13.154 962 HD2 PRO 125 2HD PRO 125 -6.942 -6.565 11.190 963 HD3 PRO 125 1HD PRO 125 -5.357 -7.312 11.496 964 H LYS 126 HN LYS 126 -7.294 -11.938 9.237 965 HA LYS 126 HA LYS 126 -9.435 -11.696 7.544 966 HB2 LYS 126 2HB LYS 126 -9.909 -14.090 8.065 967 HB3 LYS 126 1HB LYS 126 -8.193 -13.766 7.834 968 HG2 LYS 126 2HG LYS 126 -8.040 -13.591 10.397 969 HG3 LYS 126 1HG LYS 126 -9.650 -14.306 10.437 970 HD2 LYS 126 2HD LYS 126 -7.184 -15.571 9.178 971 HD3 LYS 126 1HD LYS 126 -7.819 -15.962 10.777 972 HE2 LYS 126 2HE LYS 126 -9.979 -16.661 9.613 973 HE3 LYS 126 1HE LYS 126 -9.112 -16.493 8.084 974 HZ1 LYS 126 3HZ LYS 126 -7.519 -18.133 8.885 975 HZ2 LYS 126 1HZ LYS 126 -9.088 -18.756 8.831 976 HZ3 LYS 126 2HZ LYS 126 -8.406 -18.312 10.313 977 H HIS 127 HN HIS 127 -9.546 -11.398 11.025 978 HA HIS 127 HA HIS 127 -12.379 -11.774 11.399 979 HB2 HIS 127 2HB HIS 127 -10.668 -12.103 13.211 980 HB3 HIS 127 1HB HIS 127 -10.350 -10.375 13.198 981 HD1 HIS 127 HD1 HIS 127 -12.721 -12.936 14.446 982 HD2 HIS 127 HD2 HIS 127 -12.407 -8.792 14.398 983 HE1 HIS 127 HE1 HIS 127 -14.422 -12.120 16.099 984 HE2 HIS 127 HE2 HIS 127 -14.330 -9.609 15.933 985 H LYS 128 HN LYS 128 -10.244 -8.995 10.811 986 HA LYS 128 HA LYS 128 -12.366 -7.018 11.239 987 HB2 LYS 128 2HB LYS 128 -9.444 -6.693 10.472 988 HB3 LYS 128 1HB LYS 128 -10.567 -5.343 10.606 989 HG2 LYS 128 2HG LYS 128 -10.891 -5.906 13.010 990 HG3 LYS 128 1HG LYS 128 -9.660 -7.167 12.853 991 HD2 LYS 128 2HD LYS 128 -8.020 -5.408 12.119 992 HD3 LYS 128 1HD LYS 128 -9.261 -4.182 12.400 993 HE2 LYS 128 2HE LYS 128 -8.082 -6.015 14.519 994 HE3 LYS 128 1HE LYS 128 -7.668 -4.320 14.276 995 HZ1 LYS 128 3HZ LYS 128 -9.227 -4.560 16.069 996 HZ2 LYS 128 1HZ LYS 128 -10.329 -5.365 15.065 997 HZ3 LYS 128 2HZ LYS 128 -9.966 -3.738 14.788 998 H LEU 129 HN LEU 129 -10.783 -8.716 8.642 999 HA LEU 129 HA LEU 129 -11.385 -7.040 6.479 1000 HB2 LEU 129 2HB LEU 129 -11.095 -10.047 6.651 1001 HB3 LEU 129 1HB LEU 129 -11.283 -9.189 5.129 1002 HG LEU 129 HG LEU 129 -8.962 -8.822 7.057 1003 HD11 LEU 129 1HD1 LEU 129 -9.077 -10.281 4.400 1004 HD12 LEU 129 2HD1 LEU 129 -8.916 -11.021 5.997 1005 HD13 LEU 129 3HD1 LEU 129 -7.622 -9.998 5.371 1006 HD21 LEU 129 3HD2 LEU 129 -7.959 -7.474 5.288 1007 HD22 LEU 129 1HD2 LEU 129 -9.495 -6.781 5.812 1008 HD23 LEU 129 2HD2 LEU 129 -9.403 -7.674 4.289 1009 H LYS 130 HN LYS 130 -13.344 -9.503 8.145 1010 HA LYS 130 HA LYS 130 -15.627 -9.597 6.620 1011 HB2 LYS 130 2HB LYS 130 -15.195 -10.947 8.658 1012 HB3 LYS 130 1HB LYS 130 -15.382 -9.506 9.650 1013 HG2 LYS 130 2HG LYS 130 -17.761 -9.337 8.888 1014 HG3 LYS 130 1HG LYS 130 -17.547 -10.853 8.006 1015 HD2 LYS 130 2HD LYS 130 -17.059 -12.017 10.141 1016 HD3 LYS 130 1HD LYS 130 -17.247 -10.493 11.014 1017 HE2 LYS 130 2HE LYS 130 -19.430 -11.931 9.461 1018 HE3 LYS 130 1HE LYS 130 -19.269 -11.849 11.216 1019 HZ1 LYS 130 3HZ LYS 130 -20.880 -10.258 10.434 1020 HZ2 LYS 130 1HZ LYS 130 -19.740 -9.554 9.401 1021 HZ3 LYS 130 2HZ LYS 130 -19.541 -9.442 11.075 1022 H GLU 131 HN GLU 131 -14.763 -7.210 9.093 1023 HA GLU 131 HA GLU 131 -17.001 -5.512 8.912 1024 HB2 GLU 131 2HB GLU 131 -15.290 -5.515 10.769 1025 HB3 GLU 131 1HB GLU 131 -14.139 -4.775 9.670 1026 HG2 GLU 131 2HG GLU 131 -15.013 -3.055 11.086 1027 HG3 GLU 131 1HG GLU 131 -15.663 -2.802 9.466 1028 H GLU 132 HN GLU 132 -13.872 -5.555 7.162 1029 HA GLU 132 HA GLU 132 -14.259 -3.131 5.743 1030 HB2 GLU 132 2HB GLU 132 -12.411 -5.493 5.177 1031 HB3 GLU 132 1HB GLU 132 -12.281 -3.901 4.435 1032 HG2 GLU 132 2HG GLU 132 -11.917 -4.516 7.382 1033 HG3 GLU 132 1HG GLU 132 -10.631 -4.220 6.217 1034 H GLY 133 HN GLY 133 -15.638 -6.332 5.207 1035 HA2 GLY 133 2HA GLY 133 -17.366 -6.495 3.546 1036 HA3 GLY 133 1HA GLY 133 -16.380 -5.552 2.440 1037 H TYR 134 HN TYR 134 -15.341 -8.171 4.550 1038 HA TYR 134 HA TYR 134 -13.814 -9.856 3.855 1039 HB2 TYR 134 2HB TYR 134 -15.251 -11.871 4.250 1040 HB3 TYR 134 1HB TYR 134 -15.471 -10.589 5.426 1041 HD1 TYR 134 HD2 TYR 134 -17.551 -9.040 5.148 1042 HD2 TYR 134 HD1 TYR 134 -17.129 -12.744 3.052 1043 HE1 TYR 134 HE2 TYR 134 -19.974 -9.071 4.705 1044 HE2 TYR 134 HE1 TYR 134 -19.538 -12.770 2.616 1045 HH TYR 134 HH TYR 134 -21.500 -10.082 2.975 1046 H GLU 135 HN GLU 135 -16.541 -9.755 1.614 1047 HA GLU 135 HA GLU 135 -16.268 -12.120 0.290 1048 HB2 GLU 135 2HB GLU 135 -17.460 -11.117 -1.633 1049 HB3 GLU 135 1HB GLU 135 -18.179 -10.678 -0.092 1050 HG2 GLU 135 2HG GLU 135 -17.270 -8.446 -0.221 1051 HG3 GLU 135 1HG GLU 135 -16.317 -8.854 -1.646 1052 H SER 136 HN SER 136 -14.510 -9.101 -0.755 1053 HA SER 136 HA SER 136 -13.189 -10.563 -2.900 1054 HB2 SER 136 2HB SER 136 -12.883 -7.647 -2.050 1055 HB3 SER 136 1HB SER 136 -12.381 -8.361 -3.584 1056 HG SER 136 HG SER 136 -14.517 -7.161 -3.370 1057 H TYR 137 HN TYR 137 -12.612 -9.478 0.337 1058 HA TYR 137 HA TYR 137 -9.782 -9.008 0.213 1059 HB2 TYR 137 2HB TYR 137 -11.690 -9.405 2.560 1060 HB3 TYR 137 1HB TYR 137 -9.997 -8.961 2.740 1061 HD1 TYR 137 HD2 TYR 137 -13.244 -7.778 1.334 1062 HD2 TYR 137 HD1 TYR 137 -9.315 -6.675 2.566 1063 HE1 TYR 137 HE2 TYR 137 -13.857 -5.407 1.195 1064 HE2 TYR 137 HE1 TYR 137 -9.928 -4.324 2.427 1065 HH TYR 137 HH TYR 137 -13.070 -3.261 2.283 1066 H LEU 138 HN LEU 138 -11.793 -11.546 1.633 1067 HA LEU 138 HA LEU 138 -9.639 -13.229 2.455 1068 HB2 LEU 138 2HB LEU 138 -12.650 -13.619 2.412 1069 HB3 LEU 138 1HB LEU 138 -11.568 -14.916 2.882 1070 HG LEU 138 HG LEU 138 -10.731 -13.577 4.787 1071 HD11 LEU 138 1HD1 LEU 138 -11.824 -11.464 5.420 1072 HD12 LEU 138 2HD1 LEU 138 -12.714 -11.480 3.897 1073 HD13 LEU 138 3HD1 LEU 138 -10.955 -11.334 3.892 1074 HD21 LEU 138 3HD2 LEU 138 -12.664 -15.013 5.245 1075 HD22 LEU 138 1HD2 LEU 138 -13.762 -13.708 4.764 1076 HD23 LEU 138 2HD2 LEU 138 -12.742 -13.522 6.198 1077 H HIS 139 HN HIS 139 -11.347 -12.795 -0.485 1078 HA HIS 139 HA HIS 139 -10.862 -15.349 -1.684 1079 HB2 HIS 139 2HB HIS 139 -12.537 -13.574 -2.451 1080 HB3 HIS 139 1HB HIS 139 -11.183 -12.684 -3.126 1081 HD1 HIS 139 HD1 HIS 139 -13.664 -15.151 -3.976 1082 HD2 HIS 139 HD2 HIS 139 -9.809 -14.263 -5.266 1083 HE1 HIS 139 HE1 HIS 139 -13.435 -16.272 -6.214 1084 HE2 HIS 139 HE2 HIS 139 -11.042 -15.871 -6.888 1085 H LEU 140 HN LEU 140 -8.956 -12.431 -1.300 1086 HA LEU 140 HA LEU 140 -6.827 -13.306 -3.125 1087 HB2 LEU 140 2HB LEU 140 -7.058 -10.794 -1.416 1088 HB3 LEU 140 1HB LEU 140 -5.901 -11.061 -2.716 1089 HG LEU 140 HG LEU 140 -8.921 -10.926 -3.123 1090 HD11 LEU 140 1HD1 LEU 140 -8.585 -8.700 -4.065 1091 HD12 LEU 140 2HD1 LEU 140 -6.880 -8.749 -3.610 1092 HD13 LEU 140 3HD1 LEU 140 -8.131 -8.766 -2.364 1093 HD21 LEU 140 3HD2 LEU 140 -6.688 -10.885 -5.179 1094 HD22 LEU 140 1HD2 LEU 140 -8.416 -10.745 -5.509 1095 HD23 LEU 140 2HD2 LEU 140 -7.768 -12.242 -4.845 1096 H PHE 141 HN PHE 141 -7.463 -12.722 0.298 1097 HA PHE 141 HA PHE 141 -4.919 -13.430 1.343 1098 HB2 PHE 141 2HB PHE 141 -6.483 -12.122 2.666 1099 HB3 PHE 141 1HB PHE 141 -7.695 -13.393 2.597 1100 HD1 PHE 141 HD1 PHE 141 -4.089 -13.059 3.675 1101 HD2 PHE 141 HD2 PHE 141 -7.982 -14.587 4.602 1102 HE1 PHE 141 HE1 PHE 141 -3.235 -13.970 5.787 1103 HE2 PHE 141 HE2 PHE 141 -7.112 -15.491 6.723 1104 HZ PHE 141 HZ PHE 141 -4.738 -15.184 7.315 1105 H ASN 142 HN ASN 142 -7.814 -15.270 0.579 1106 HA ASN 142 HA ASN 142 -6.350 -17.817 0.694 1107 HB2 ASN 142 2HB ASN 142 -7.541 -17.825 2.813 1108 HB3 ASN 142 1HB ASN 142 -9.020 -17.223 2.074 1109 HD21 ASN 142 1HD2 ASN 142 -10.356 -18.682 0.930 1110 HD22 ASN 142 2HD2 ASN 142 -10.155 -20.396 1.036 1111 H LYS 143 HN LYS 143 -6.357 -18.244 -1.449 1112 HA LYS 143 HA LYS 143 -8.324 -17.464 -3.323 1113 HB2 LYS 143 2HB LYS 143 -5.908 -18.020 -3.837 1114 HB3 LYS 143 1HB LYS 143 -6.267 -19.718 -3.588 1115 HG2 LYS 143 2HG LYS 143 -7.737 -18.112 -5.693 1116 HG3 LYS 143 1HG LYS 143 -6.133 -18.772 -6.014 1117 HD2 LYS 143 2HD LYS 143 -6.954 -21.052 -5.625 1118 HD3 LYS 143 1HD LYS 143 -8.547 -20.433 -5.186 1119 HE2 LYS 143 2HE LYS 143 -8.767 -19.506 -7.506 1120 HE3 LYS 143 1HE LYS 143 -7.226 -20.264 -7.914 1121 HZ1 LYS 143 3HZ LYS 143 -9.094 -21.612 -8.596 1122 HZ2 LYS 143 1HZ LYS 143 -9.663 -21.683 -7.004 1123 HZ3 LYS 143 2HZ LYS 143 -8.193 -22.414 -7.408 1124 H LEU 144 HN LEU 144 -10.387 -18.192 -3.319 1125 HA LEU 144 HA LEU 144 -11.294 -20.544 -2.017 1126 HB2 LEU 144 2HB LEU 144 -12.620 -18.572 -3.900 1127 HB3 LEU 144 1HB LEU 144 -13.466 -20.036 -3.444 1128 HG LEU 144 HG LEU 144 -14.295 -18.306 -2.040 1129 HD11 LEU 144 1HD1 LEU 144 -13.904 -20.446 -0.910 1130 HD12 LEU 144 2HD1 LEU 144 -13.799 -19.080 0.196 1131 HD13 LEU 144 3HD1 LEU 144 -12.324 -19.876 -0.365 1132 HD21 LEU 144 3HD2 LEU 144 -12.928 -16.869 -0.622 1133 HD22 LEU 144 1HD2 LEU 144 -12.540 -16.644 -2.326 1134 HD23 LEU 144 2HD2 LEU 144 -11.456 -17.576 -1.291 1135 H GLU 145 HN GLU 145 -12.044 -22.472 -2.822 1136 HA GLU 145 HA GLU 145 -11.768 -24.439 -3.865 1137 HB2 GLU 145 2HB GLU 145 -11.802 -22.812 -6.443 1138 HB3 GLU 145 1HB GLU 145 -12.079 -24.547 -6.310 1139 HG2 GLU 145 2HG GLU 145 -14.142 -24.132 -5.034 1140 HG3 GLU 145 1HG GLU 145 -13.850 -22.395 -5.117 1141 H HIS 146 HN HIS 146 -9.645 -24.502 -2.845 1142 HA HIS 146 HA HIS 146 -7.411 -24.472 -4.797 1143 HB2 HIS 146 2HB HIS 146 -5.894 -23.504 -3.177 1144 HB3 HIS 146 1HB HIS 146 -7.296 -22.448 -3.284 1145 HD1 HIS 146 HD1 HIS 146 -8.899 -22.401 -1.194 1146 HD2 HIS 146 HD2 HIS 146 -5.408 -24.589 -0.649 1147 HE1 HIS 146 HE1 HIS 146 -8.714 -22.768 1.286 1148 HE2 HIS 146 HE2 HIS 146 -6.652 -24.180 1.578 1149 H HIS 147 HN HIS 147 -5.829 -26.074 -4.492 1150 HA HIS 147 HA HIS 147 -6.080 -28.012 -2.314 1151 HB2 HIS 147 2HB HIS 147 -7.559 -28.971 -4.042 1152 HB3 HIS 147 1HB HIS 147 -6.299 -28.807 -5.261 1153 HD1 HIS 147 HD1 HIS 147 -4.322 -30.489 -5.146 1154 HD2 HIS 147 HD2 HIS 147 -7.321 -31.213 -2.360 1155 HE1 HIS 147 HE1 HIS 147 -3.868 -32.795 -4.262 1156 HE2 HIS 147 HE2 HIS 147 -5.788 -33.279 -2.701 Start of MODEL 8 1 H1 MET 1 1H MET 1 -6.945 8.055 20.929 2 H2 MET 1 2H MET 1 -6.850 9.073 22.272 3 H3 MET 1 3H MET 1 -7.510 9.648 20.829 4 HA MET 1 HA MET 1 -8.639 7.504 22.524 5 HB2 MET 1 2HB MET 1 -9.618 10.347 22.020 6 HB3 MET 1 1HB MET 1 -10.482 9.135 22.954 7 HG2 MET 1 2HG MET 1 -8.577 9.082 24.562 8 HG3 MET 1 1HG MET 1 -7.825 10.401 23.663 9 HE1 MET 1 3HE MET 1 -8.857 12.879 23.527 10 HE2 MET 1 1HE MET 1 -10.377 13.333 24.296 11 HE3 MET 1 2HE MET 1 -10.385 12.243 22.911 12 H ALA 2 HN ALA 2 -11.022 7.163 21.827 13 HA ALA 2 HA ALA 2 -10.920 6.000 19.235 14 HB1 ALA 2 3HB ALA 2 -12.206 5.031 21.109 15 HB2 ALA 2 1HB ALA 2 -13.224 5.272 19.692 16 HB3 ALA 2 2HB ALA 2 -13.333 6.389 21.056 17 H TYR 3 HN TYR 3 -10.966 7.180 17.415 18 HA TYR 3 HA TYR 3 -12.515 9.661 17.170 19 HB2 TYR 3 2HB TYR 3 -10.724 8.326 15.090 20 HB3 TYR 3 1HB TYR 3 -11.350 9.970 15.040 21 HD1 TYR 3 HD2 TYR 3 -10.716 11.369 17.346 22 HD2 TYR 3 HD1 TYR 3 -8.445 8.162 15.659 23 HE1 TYR 3 HE2 TYR 3 -8.710 12.169 18.521 24 HE2 TYR 3 HE1 TYR 3 -6.444 8.964 16.831 25 HH TYR 3 HH TYR 3 -5.575 11.031 17.822 26 H ASN 4 HN ASN 4 -14.203 9.965 15.687 27 HA ASN 4 HA ASN 4 -15.826 7.779 14.811 28 HB2 ASN 4 2HB ASN 4 -16.554 10.201 15.259 29 HB3 ASN 4 1HB ASN 4 -15.835 10.631 13.719 30 HD21 ASN 4 1HD2 ASN 4 -18.592 10.894 14.596 31 HD22 ASN 4 2HD2 ASN 4 -19.561 10.028 13.456 32 H LYS 5 HN LYS 5 -16.233 7.197 12.470 33 HA LYS 5 HA LYS 5 -13.845 6.542 11.082 34 HB2 LYS 5 2HB LYS 5 -16.738 6.494 10.152 35 HB3 LYS 5 1HB LYS 5 -15.412 5.911 9.156 36 HG2 LYS 5 2HG LYS 5 -16.168 4.788 11.876 37 HG3 LYS 5 1HG LYS 5 -16.626 4.093 10.317 38 HD2 LYS 5 2HD LYS 5 -14.233 3.712 9.774 39 HD3 LYS 5 1HD LYS 5 -13.767 4.432 11.323 40 HE2 LYS 5 2HE LYS 5 -15.029 2.621 12.500 41 HE3 LYS 5 1HE LYS 5 -15.392 1.885 10.937 42 HZ1 LYS 5 3HZ LYS 5 -12.992 1.654 10.590 43 HZ2 LYS 5 1HZ LYS 5 -13.541 0.799 11.937 44 HZ3 LYS 5 2HZ LYS 5 -12.709 2.257 12.139 45 H GLU 6 HN GLU 6 -16.117 9.238 10.645 46 HA GLU 6 HA GLU 6 -14.917 10.369 8.329 47 HB2 GLU 6 2HB GLU 6 -17.178 11.005 9.214 48 HB3 GLU 6 1HB GLU 6 -16.399 11.807 10.577 49 HG2 GLU 6 2HG GLU 6 -15.248 13.334 8.939 50 HG3 GLU 6 1HG GLU 6 -16.178 12.579 7.648 51 H GLU 7 HN GLU 7 -14.555 11.104 11.791 52 HA GLU 7 HA GLU 7 -12.478 12.984 11.666 53 HB2 GLU 7 2HB GLU 7 -13.979 12.641 13.595 54 HB3 GLU 7 1HB GLU 7 -13.236 11.078 13.910 55 HG2 GLU 7 2HG GLU 7 -11.158 12.106 14.561 56 HG3 GLU 7 1HG GLU 7 -11.704 13.689 14.005 57 H LYS 8 HN LYS 8 -12.386 9.544 11.441 58 HA LYS 8 HA LYS 8 -9.614 9.047 11.945 59 HB2 LYS 8 2HB LYS 8 -11.694 7.536 10.303 60 HB3 LYS 8 1HB LYS 8 -10.017 7.005 10.391 61 HG2 LYS 8 2HG LYS 8 -11.831 7.319 12.797 62 HG3 LYS 8 1HG LYS 8 -11.586 5.803 11.923 63 HD2 LYS 8 2HD LYS 8 -9.154 5.903 12.469 64 HD3 LYS 8 1HD LYS 8 -9.426 7.397 13.376 65 HE2 LYS 8 2HE LYS 8 -10.864 6.197 14.954 66 HE3 LYS 8 1HE LYS 8 -10.695 4.710 14.016 67 HZ1 LYS 8 3HZ LYS 8 -8.395 4.631 14.526 68 HZ2 LYS 8 1HZ LYS 8 -9.250 4.817 15.968 69 HZ3 LYS 8 2HZ LYS 8 -8.436 6.137 15.294 70 H ILE 9 HN ILE 9 -11.569 9.506 8.994 71 HA ILE 9 HA ILE 9 -9.437 9.292 7.166 72 HB ILE 9 HB ILE 9 -12.201 10.540 6.807 73 HG12 ILE 9 2HG1 ILE 9 -12.371 8.196 7.464 74 HG13 ILE 9 1HG1 ILE 9 -12.779 8.326 5.762 75 HG21 ILE 9 1HG2 ILE 9 -10.707 11.309 5.008 76 HG22 ILE 9 2HG2 ILE 9 -11.911 10.185 4.380 77 HG23 ILE 9 3HG2 ILE 9 -10.254 9.642 4.650 78 HD11 ILE 9 3HD1 ILE 9 -11.451 6.370 6.137 79 HD12 ILE 9 1HD1 ILE 9 -10.191 7.323 6.927 80 HD13 ILE 9 2HD1 ILE 9 -10.507 7.533 5.207 81 H LYS 10 HN LYS 10 -10.994 12.188 8.603 82 HA LYS 10 HA LYS 10 -9.816 14.129 7.013 83 HB2 LYS 10 2HB LYS 10 -11.756 14.447 8.531 84 HB3 LYS 10 1HB LYS 10 -10.685 14.342 9.924 85 HG2 LYS 10 2HG LYS 10 -9.554 16.405 9.251 86 HG3 LYS 10 1HG LYS 10 -10.522 16.492 7.776 87 HD2 LYS 10 2HD LYS 10 -11.620 16.660 10.615 88 HD3 LYS 10 1HD LYS 10 -11.345 18.037 9.546 89 HE2 LYS 10 2HE LYS 10 -13.029 17.170 7.964 90 HE3 LYS 10 1HE LYS 10 -13.264 15.744 8.975 91 HZ1 LYS 10 3HZ LYS 10 -14.979 17.426 9.276 92 HZ2 LYS 10 1HZ LYS 10 -13.821 18.525 9.826 93 HZ3 LYS 10 2HZ LYS 10 -14.135 17.117 10.706 94 H SER 11 HN SER 11 -8.711 12.948 10.221 95 HA SER 11 HA SER 11 -6.312 14.495 10.320 96 HB2 SER 11 2HB SER 11 -5.671 12.910 12.183 97 HB3 SER 11 1HB SER 11 -7.285 13.591 12.377 98 HG SER 11 HG SER 11 -8.176 11.691 11.920 99 H LEU 12 HN LEU 12 -6.967 11.116 9.526 100 HA LEU 12 HA LEU 12 -4.553 10.058 8.904 101 HB2 LEU 12 2HB LEU 12 -6.697 8.892 9.082 102 HB3 LEU 12 1HB LEU 12 -7.253 9.658 7.606 103 HG LEU 12 HG LEU 12 -5.414 8.399 6.379 104 HD11 LEU 12 1HD1 LEU 12 -3.959 7.909 8.281 105 HD12 LEU 12 2HD1 LEU 12 -4.449 6.430 7.461 106 HD13 LEU 12 3HD1 LEU 12 -5.201 6.877 8.996 107 HD21 LEU 12 3HD2 LEU 12 -7.782 7.757 6.321 108 HD22 LEU 12 1HD2 LEU 12 -7.561 6.760 7.764 109 HD23 LEU 12 2HD2 LEU 12 -6.732 6.351 6.261 110 H ASN 13 HN ASN 13 -6.662 11.871 6.663 111 HA ASN 13 HA ASN 13 -5.235 11.300 4.291 112 HB2 ASN 13 2HB ASN 13 -7.288 13.393 5.021 113 HB3 ASN 13 1HB ASN 13 -6.442 13.527 3.483 114 HD21 ASN 13 1HD2 ASN 13 -7.452 10.450 5.017 115 HD22 ASN 13 2HD2 ASN 13 -8.593 10.057 3.789 116 H ARG 14 HN ARG 14 -4.940 13.840 6.674 117 HA ARG 14 HA ARG 14 -3.058 15.509 5.331 118 HB2 ARG 14 2HB ARG 14 -3.552 15.163 8.323 119 HB3 ARG 14 1HB ARG 14 -2.714 16.522 7.569 120 HG2 ARG 14 2HG ARG 14 -4.757 17.268 6.503 121 HG3 ARG 14 1HG ARG 14 -5.618 15.819 7.029 122 HD2 ARG 14 2HD ARG 14 -6.201 17.769 8.410 123 HD3 ARG 14 1HD ARG 14 -5.411 16.514 9.372 124 HE ARG 14 HE ARG 14 -3.539 18.451 8.398 125 HH11 ARG 14 1HH1 ARG 14 -5.939 17.973 10.920 126 HH12 ARG 14 2HH1 ARG 14 -5.167 19.063 12.022 127 HH21 ARG 14 1HH2 ARG 14 -2.554 19.880 9.843 128 HH22 ARG 14 2HH2 ARG 14 -3.251 20.153 11.405 129 H MET 15 HN MET 15 -2.825 12.724 7.478 130 HA MET 15 HA MET 15 -0.050 12.856 8.106 131 HB2 MET 15 2HB MET 15 -1.585 11.659 9.563 132 HB3 MET 15 1HB MET 15 -2.134 10.631 8.249 133 HG2 MET 15 2HG MET 15 0.111 9.575 8.166 134 HG3 MET 15 1HG MET 15 0.615 10.570 9.534 135 HE1 MET 15 3HE MET 15 -2.015 10.579 11.362 136 HE2 MET 15 1HE MET 15 -0.386 10.309 11.994 137 HE3 MET 15 2HE MET 15 -1.690 9.196 12.404 138 H GLN 16 HN GLN 16 -1.920 10.656 5.988 139 HA GLN 16 HA GLN 16 0.275 9.256 4.913 140 HB2 GLN 16 2HB GLN 16 -2.488 9.567 3.692 141 HB3 GLN 16 1HB GLN 16 -1.311 8.311 3.305 142 HG2 GLN 16 2HG GLN 16 -1.538 7.443 5.628 143 HG3 GLN 16 1HG GLN 16 -2.778 8.664 5.939 144 HE21 GLN 16 1HE2 GLN 16 -3.115 5.785 6.024 145 HE22 GLN 16 2HE2 GLN 16 -4.279 5.376 4.809 146 H TYR 17 HN TYR 17 -1.746 11.866 3.581 147 HA TYR 17 HA TYR 17 -0.509 12.286 1.122 148 HB2 TYR 17 2HB TYR 17 -2.462 13.659 1.732 149 HB3 TYR 17 1HB TYR 17 -1.513 14.523 2.939 150 HD1 TYR 17 HD1 TYR 17 -1.709 13.853 -0.753 151 HD2 TYR 17 HD2 TYR 17 -0.274 16.501 2.289 152 HE1 TYR 17 HE1 TYR 17 -0.991 15.447 -2.475 153 HE2 TYR 17 HE2 TYR 17 0.437 18.102 0.561 154 HH TYR 17 HH TYR 17 1.084 18.021 -1.875 155 H GLU 18 HN GLU 18 0.484 13.706 4.260 156 HA GLU 18 HA GLU 18 2.702 15.209 3.347 157 HB2 GLU 18 2HB GLU 18 1.719 15.540 5.586 158 HB3 GLU 18 1HB GLU 18 2.225 13.928 6.078 159 HG2 GLU 18 2HG GLU 18 4.628 14.695 5.714 160 HG3 GLU 18 1HG GLU 18 3.996 16.325 5.492 161 H VAL 19 HN VAL 19 2.354 11.853 4.358 162 HA VAL 19 HA VAL 19 5.148 11.253 4.591 163 HB VAL 19 HB VAL 19 2.695 9.442 4.423 164 HG11 VAL 19 1HG1 VAL 19 5.575 8.646 4.959 165 HG12 VAL 19 2HG1 VAL 19 4.637 8.232 3.520 166 HG13 VAL 19 3HG1 VAL 19 4.175 7.579 5.097 167 HG21 VAL 19 3HG2 VAL 19 2.884 10.784 6.498 168 HG22 VAL 19 1HG2 VAL 19 4.512 10.145 6.760 169 HG23 VAL 19 2HG2 VAL 19 3.117 9.068 6.825 170 H THR 20 HN THR 20 2.701 10.145 2.216 171 HA THR 20 HA THR 20 4.324 9.059 0.279 172 HB THR 20 HB THR 20 1.683 10.512 -0.184 173 HG1 THR 20 HG1 THR 20 2.121 7.774 0.498 174 HG21 THR 20 3HG2 THR 20 2.959 8.209 -1.729 175 HG22 THR 20 1HG2 THR 20 2.804 9.868 -2.308 176 HG23 THR 20 2HG2 THR 20 1.357 8.893 -2.031 177 H GLN 21 HN GLN 21 3.627 12.440 0.873 178 HA GLN 21 HA GLN 21 4.369 13.479 -1.707 179 HB2 GLN 21 2HB GLN 21 2.809 14.651 -0.090 180 HB3 GLN 21 1HB GLN 21 4.185 14.965 0.957 181 HG2 GLN 21 2HG GLN 21 3.692 16.958 -0.293 182 HG3 GLN 21 1HG GLN 21 5.219 16.300 -0.886 183 HE21 GLN 21 1HE2 GLN 21 5.136 17.184 -2.928 184 HE22 GLN 21 2HE2 GLN 21 3.947 16.773 -4.111 185 H ASN 22 HN ASN 22 5.966 12.862 1.326 186 HA ASN 22 HA ASN 22 8.528 14.003 0.386 187 HB2 ASN 22 2HB ASN 22 7.411 14.916 2.504 188 HB3 ASN 22 1HB ASN 22 7.694 13.352 3.255 189 HD21 ASN 22 1HD2 ASN 22 9.788 12.836 3.928 190 HD22 ASN 22 2HD2 ASN 22 11.083 13.977 3.938 191 H ASN 23 HN ASN 23 6.984 11.142 0.379 192 HA ASN 23 HA ASN 23 7.303 8.938 0.705 193 HB2 ASN 23 2HB ASN 23 9.180 7.954 -0.451 194 HB3 ASN 23 1HB ASN 23 8.709 9.392 -1.329 195 HD21 ASN 23 1HD2 ASN 23 11.175 7.904 0.634 196 HD22 ASN 23 2HD2 ASN 23 12.425 9.040 0.274 197 H GLY 24 HN GLY 24 7.606 10.447 3.037 198 HA2 GLY 24 2HA GLY 24 10.024 9.689 4.481 199 HA3 GLY 24 1HA GLY 24 8.775 10.808 5.002 200 H THR 25 HN THR 25 9.452 9.414 6.959 201 HA THR 25 HA THR 25 7.657 7.063 7.238 202 HB THR 25 HB THR 25 9.019 6.734 9.448 203 HG1 THR 25 HG1 THR 25 10.446 8.265 9.800 204 HG21 THR 25 3HG2 THR 25 9.319 5.264 7.475 205 HG22 THR 25 1HG2 THR 25 10.850 5.552 8.311 206 HG23 THR 25 2HG2 THR 25 10.488 6.408 6.811 207 H GLU 26 HN GLU 26 6.159 7.029 8.904 208 HA GLU 26 HA GLU 26 5.178 9.462 10.063 209 HB2 GLU 26 2HB GLU 26 3.632 7.650 9.553 210 HB3 GLU 26 1HB GLU 26 4.535 6.516 10.544 211 HG2 GLU 26 2HG GLU 26 2.472 7.131 11.664 212 HG3 GLU 26 1HG GLU 26 3.848 7.737 12.578 213 HA PRO 27 HA PRO 27 8.130 9.801 13.529 214 HB2 PRO 27 2HB PRO 27 5.666 10.992 14.836 215 HB3 PRO 27 1HB PRO 27 7.338 11.581 14.849 216 HG2 PRO 27 2HG PRO 27 5.563 12.710 13.227 217 HG3 PRO 27 1HG PRO 27 7.209 12.388 12.643 218 HD2 PRO 27 2HD PRO 27 4.662 10.904 12.044 219 HD3 PRO 27 1HD PRO 27 6.053 11.236 10.985 220 HA PRO 28 HA PRO 28 7.208 6.024 15.874 221 HB2 PRO 28 2HB PRO 28 9.039 7.373 17.870 222 HB3 PRO 28 1HB PRO 28 9.045 5.698 17.289 223 HG2 PRO 28 2HG PRO 28 10.818 7.420 16.318 224 HG3 PRO 28 1HG PRO 28 10.005 6.287 15.216 225 HD2 PRO 28 2HD PRO 28 9.464 9.223 15.648 226 HD3 PRO 28 1HD PRO 28 9.464 8.287 14.132 227 H PHE 29 HN PHE 29 5.043 6.443 16.312 228 HA PHE 29 HA PHE 29 4.162 8.005 18.580 229 HB2 PHE 29 2HB PHE 29 2.760 7.666 16.519 230 HB3 PHE 29 1HB PHE 29 2.644 5.955 16.896 231 HD1 PHE 29 HD2 PHE 29 1.747 9.359 18.191 232 HD2 PHE 29 HD1 PHE 29 0.914 5.175 18.345 233 HE1 PHE 29 HE2 PHE 29 -0.254 9.794 19.542 234 HE2 PHE 29 HE1 PHE 29 -1.081 5.613 19.700 235 HZ PHE 29 HZ PHE 29 -1.672 7.927 20.305 236 H GLN 30 HN GLN 30 5.380 4.839 18.041 237 HA GLN 30 HA GLN 30 5.778 3.020 19.286 238 HB2 GLN 30 2HB GLN 30 5.219 4.854 21.653 239 HB3 GLN 30 1HB GLN 30 5.964 3.264 21.769 240 HG2 GLN 30 2HG GLN 30 7.140 5.622 20.262 241 HG3 GLN 30 1HG GLN 30 7.584 5.152 21.902 242 HE21 GLN 30 1HE2 GLN 30 7.780 4.289 18.522 243 HE22 GLN 30 2HE2 GLN 30 9.042 3.125 18.688 244 H ASN 31 HN ASN 31 3.816 2.311 18.209 245 HA ASN 31 HA ASN 31 1.613 1.652 20.063 246 HB2 ASN 31 2HB ASN 31 1.035 3.651 18.599 247 HB3 ASN 31 1HB ASN 31 1.204 2.612 17.192 248 HD21 ASN 31 1HD2 ASN 31 -0.716 3.298 20.045 249 HD22 ASN 31 2HD2 ASN 31 -2.126 2.437 19.535 250 H GLU 32 HN GLU 32 0.334 -0.193 19.347 251 HA GLU 32 HA GLU 32 2.055 -2.348 18.533 252 HB2 GLU 32 2HB GLU 32 -0.943 -2.469 19.056 253 HB3 GLU 32 1HB GLU 32 0.179 -3.822 19.036 254 HG2 GLU 32 2HG GLU 32 -0.339 -3.392 21.317 255 HG3 GLU 32 1HG GLU 32 1.309 -2.822 21.063 256 H TYR 33 HN TYR 33 0.336 -0.124 16.786 257 HA TYR 33 HA TYR 33 -0.854 -1.433 14.657 258 HB2 TYR 33 2HB TYR 33 -0.789 1.099 15.343 259 HB3 TYR 33 1HB TYR 33 0.662 1.186 14.355 260 HD1 TYR 33 HD1 TYR 33 -2.972 0.375 14.288 261 HD2 TYR 33 HD2 TYR 33 0.462 1.379 11.928 262 HE1 TYR 33 HE1 TYR 33 -4.405 0.656 12.324 263 HE2 TYR 33 HE2 TYR 33 -0.990 1.662 9.958 264 HH TYR 33 HH TYR 33 -3.128 1.127 9.137 265 H TRP 34 HN TRP 34 2.514 -1.006 15.384 266 HA TRP 34 HA TRP 34 3.295 -2.396 12.881 267 HB2 TRP 34 2HB TRP 34 5.595 -1.118 13.333 268 HB3 TRP 34 1HB TRP 34 4.273 -0.316 12.491 269 HD1 TRP 34 HD1 TRP 34 5.932 -0.362 16.013 270 HE1 TRP 34 HE1 TRP 34 5.408 1.875 17.158 271 HE3 TRP 34 HE3 TRP 34 2.779 1.634 12.500 272 HZ2 TRP 34 HZ2 TRP 34 3.852 4.192 16.648 273 HZ3 TRP 34 HZ3 TRP 34 1.822 3.872 12.901 274 HH2 TRP 34 HH2 TRP 34 2.350 5.125 14.934 275 H ASP 35 HN ASP 35 3.236 -2.526 16.279 276 HA ASP 35 HA ASP 35 5.506 -4.353 16.576 277 HB2 ASP 35 2HB ASP 35 3.384 -3.491 18.593 278 HB3 ASP 35 1HB ASP 35 4.773 -4.502 18.971 279 H HIS 36 HN HIS 36 2.167 -4.595 15.815 280 HA HIS 36 HA HIS 36 2.017 -7.460 16.581 281 HB2 HIS 36 2HB HIS 36 0.293 -5.828 17.508 282 HB3 HIS 36 1HB HIS 36 -0.272 -5.559 15.866 283 HD1 HIS 36 HD1 HIS 36 0.035 -8.367 18.411 284 HD2 HIS 36 HD2 HIS 36 -2.222 -7.297 15.100 285 HE1 HIS 36 HE1 HIS 36 -1.801 -10.064 18.276 286 HE2 HIS 36 HE2 HIS 36 -3.019 -9.520 16.149 287 H LYS 37 HN LYS 37 2.400 -8.806 14.937 288 HA LYS 37 HA LYS 37 2.480 -7.845 12.168 289 HB2 LYS 37 2HB LYS 37 3.769 -9.919 11.729 290 HB3 LYS 37 1HB LYS 37 4.459 -8.993 13.058 291 HG2 LYS 37 2HG LYS 37 3.652 -10.544 14.698 292 HG3 LYS 37 1HG LYS 37 2.595 -11.336 13.529 293 HD2 LYS 37 2HD LYS 37 4.539 -12.732 13.995 294 HD3 LYS 37 1HD LYS 37 4.558 -12.195 12.315 295 HE2 LYS 37 2HE LYS 37 6.227 -10.449 12.916 296 HE3 LYS 37 1HE LYS 37 6.217 -11.030 14.582 297 HZ1 LYS 37 3HZ LYS 37 7.038 -13.154 13.812 298 HZ2 LYS 37 1HZ LYS 37 8.070 -11.906 13.331 299 HZ3 LYS 37 2HZ LYS 37 7.023 -12.616 12.210 300 H GLU 38 HN GLU 38 -0.165 -8.086 12.943 301 HA GLU 38 HA GLU 38 -1.398 -10.600 12.810 302 HB2 GLU 38 2HB GLU 38 -2.428 -8.508 13.692 303 HB3 GLU 38 1HB GLU 38 -2.597 -7.916 12.050 304 HG2 GLU 38 2HG GLU 38 -4.712 -8.769 12.830 305 HG3 GLU 38 1HG GLU 38 -4.102 -9.792 11.524 306 H GLU 39 HN GLU 39 -2.582 -11.664 11.209 307 HA GLU 39 HA GLU 39 -1.541 -11.276 8.485 308 HB2 GLU 39 2HB GLU 39 -2.199 -13.705 8.168 309 HB3 GLU 39 1HB GLU 39 -0.923 -13.413 9.335 310 HG2 GLU 39 2HG GLU 39 -2.273 -15.093 10.308 311 HG3 GLU 39 1HG GLU 39 -2.684 -13.611 11.167 312 H GLY 40 HN GLY 40 -2.952 -11.674 6.663 313 HA2 GLY 40 2HA GLY 40 -5.451 -11.867 6.077 314 HA3 GLY 40 1HA GLY 40 -5.601 -10.419 7.074 315 H LEU 41 HN LEU 41 -5.173 -8.437 6.152 316 HA LEU 41 HA LEU 41 -3.816 -8.332 3.512 317 HB2 LEU 41 2HB LEU 41 -6.499 -7.123 4.254 318 HB3 LEU 41 1HB LEU 41 -5.552 -6.482 2.919 319 HG LEU 41 HG LEU 41 -6.512 -9.359 3.085 320 HD11 LEU 41 1HD1 LEU 41 -8.434 -7.839 2.908 321 HD12 LEU 41 2HD1 LEU 41 -8.209 -8.807 1.445 322 HD13 LEU 41 3HD1 LEU 41 -7.726 -7.096 1.462 323 HD21 LEU 41 3HD2 LEU 41 -5.928 -9.477 0.709 324 HD22 LEU 41 1HD2 LEU 41 -4.513 -9.095 1.691 325 HD23 LEU 41 2HD2 LEU 41 -5.308 -7.821 0.755 326 H TYR 42 HN TYR 42 -3.034 -6.310 2.877 327 HA TYR 42 HA TYR 42 -2.671 -4.196 4.902 328 HB2 TYR 42 2HB TYR 42 -0.753 -5.471 3.044 329 HB3 TYR 42 1HB TYR 42 -0.816 -3.740 2.774 330 HD1 TYR 42 HD1 TYR 42 -1.431 -3.277 5.932 331 HD2 TYR 42 HD2 TYR 42 1.628 -5.258 3.672 332 HE1 TYR 42 HE1 TYR 42 0.163 -2.864 7.737 333 HE2 TYR 42 HE2 TYR 42 3.229 -4.838 5.492 334 HH TYR 42 HH TYR 42 3.475 -3.127 7.368 335 H VAL 43 HN VAL 43 -4.064 -2.558 4.467 336 HA VAL 43 HA VAL 43 -4.935 -2.053 1.672 337 HB VAL 43 HB VAL 43 -7.211 -1.600 2.422 338 HG11 VAL 43 1HG1 VAL 43 -6.297 -4.273 3.561 339 HG12 VAL 43 2HG1 VAL 43 -6.727 -3.947 1.880 340 HG13 VAL 43 3HG1 VAL 43 -7.962 -3.847 3.137 341 HG21 VAL 43 3HG2 VAL 43 -6.310 -2.236 5.261 342 HG22 VAL 43 1HG2 VAL 43 -7.976 -1.935 4.757 343 HG23 VAL 43 2HG2 VAL 43 -6.775 -0.649 4.648 344 H ASP 44 HN ASP 44 -5.658 0.205 1.232 345 HA ASP 44 HA ASP 44 -4.138 2.183 2.710 346 HB2 ASP 44 2HB ASP 44 -4.537 2.279 0.149 347 HB3 ASP 44 1HB ASP 44 -6.166 2.822 0.518 348 H ILE 45 HN ILE 45 -4.875 2.865 4.529 349 HA ILE 45 HA ILE 45 -7.175 2.183 5.826 350 HB ILE 45 HB ILE 45 -5.817 4.833 6.458 351 HG12 ILE 45 2HG1 ILE 45 -4.769 2.094 7.293 352 HG13 ILE 45 1HG1 ILE 45 -4.070 3.072 6.018 353 HG21 ILE 45 1HG2 ILE 45 -7.065 2.728 8.285 354 HG22 ILE 45 2HG2 ILE 45 -7.784 4.281 7.840 355 HG23 ILE 45 3HG2 ILE 45 -6.313 4.238 8.812 356 HD11 ILE 45 3HD1 ILE 45 -4.203 3.809 8.935 357 HD12 ILE 45 1HD1 ILE 45 -3.485 4.785 7.647 358 HD13 ILE 45 2HD1 ILE 45 -2.799 3.216 8.055 359 H VAL 46 HN VAL 46 -6.792 4.984 3.715 360 HA VAL 46 HA VAL 46 -8.994 6.578 4.508 361 HB VAL 46 HB VAL 46 -8.785 7.668 2.253 362 HG11 VAL 46 1HG1 VAL 46 -7.346 8.397 4.111 363 HG12 VAL 46 2HG1 VAL 46 -6.479 8.505 2.584 364 HG13 VAL 46 3HG1 VAL 46 -6.148 7.171 3.687 365 HG21 VAL 46 3HG2 VAL 46 -6.761 5.420 1.727 366 HG22 VAL 46 1HG2 VAL 46 -6.942 6.862 0.710 367 HG23 VAL 46 2HG2 VAL 46 -8.269 5.707 0.855 368 H SER 47 HN SER 47 -8.922 3.711 2.613 369 HA SER 47 HA SER 47 -11.676 4.107 1.581 370 HB2 SER 47 2HB SER 47 -10.770 2.929 -0.516 371 HB3 SER 47 1HB SER 47 -10.144 4.559 -0.235 372 HG SER 47 HG SER 47 -8.331 3.489 -0.510 373 H GLY 48 HN GLY 48 -9.315 2.021 3.037 374 HA2 GLY 48 2HA GLY 48 -9.275 -0.177 3.660 375 HA3 GLY 48 1HA GLY 48 -10.999 -0.261 3.323 376 H LYS 49 HN LYS 49 -8.464 0.691 1.070 377 HA LYS 49 HA LYS 49 -9.502 -1.126 -0.944 378 HB2 LYS 49 2HB LYS 49 -8.882 1.282 -1.385 379 HB3 LYS 49 1HB LYS 49 -7.197 0.856 -1.128 380 HG2 LYS 49 2HG LYS 49 -7.679 0.982 -3.505 381 HG3 LYS 49 1HG LYS 49 -7.303 -0.689 -3.064 382 HD2 LYS 49 2HD LYS 49 -9.204 -0.609 -4.608 383 HD3 LYS 49 1HD LYS 49 -9.722 -1.231 -3.043 384 HE2 LYS 49 2HE LYS 49 -11.380 0.316 -3.940 385 HE3 LYS 49 1HE LYS 49 -10.645 1.010 -2.495 386 HZ1 LYS 49 3HZ LYS 49 -9.249 2.369 -3.887 387 HZ2 LYS 49 1HZ LYS 49 -10.871 2.620 -4.277 388 HZ3 LYS 49 2HZ LYS 49 -9.890 1.679 -5.283 389 HA PRO 50 HA PRO 50 -6.336 -4.243 0.155 390 HB2 PRO 50 2HB PRO 50 -6.832 -5.963 -1.991 391 HB3 PRO 50 1HB PRO 50 -7.758 -5.969 -0.485 392 HG2 PRO 50 2HG PRO 50 -8.407 -4.620 -3.104 393 HG3 PRO 50 1HG PRO 50 -9.478 -5.557 -2.041 394 HD2 PRO 50 2HD PRO 50 -9.546 -2.869 -2.021 395 HD3 PRO 50 1HD PRO 50 -9.712 -3.783 -0.503 396 H LEU 51 HN LEU 51 -4.264 -3.785 -0.212 397 HA LEU 51 HA LEU 51 -3.304 -2.923 -2.888 398 HB2 LEU 51 2HB LEU 51 -2.136 -2.229 -0.166 399 HB3 LEU 51 1HB LEU 51 -1.595 -1.610 -1.726 400 HG LEU 51 HG LEU 51 -4.227 -1.005 -0.340 401 HD11 LEU 51 1HD1 LEU 51 -3.362 1.295 -0.240 402 HD12 LEU 51 2HD1 LEU 51 -1.823 0.739 -0.903 403 HD13 LEU 51 3HD1 LEU 51 -2.378 0.151 0.670 404 HD21 LEU 51 3HD2 LEU 51 -3.285 -0.060 -3.075 405 HD22 LEU 51 1HD2 LEU 51 -4.728 0.512 -2.226 406 HD23 LEU 51 2HD2 LEU 51 -4.623 -1.172 -2.755 407 H PHE 52 HN PHE 52 -2.818 -4.969 -0.128 408 HA PHE 52 HA PHE 52 -1.036 -6.716 -1.540 409 HB2 PHE 52 2HB PHE 52 0.533 -4.907 -0.736 410 HB3 PHE 52 1HB PHE 52 0.037 -5.243 0.919 411 HD1 PHE 52 HD1 PHE 52 0.996 -7.432 -1.982 412 HD2 PHE 52 HD2 PHE 52 1.797 -6.281 2.063 413 HE1 PHE 52 HE1 PHE 52 2.736 -9.152 -1.835 414 HE2 PHE 52 HE2 PHE 52 3.547 -7.992 2.186 415 HZ PHE 52 HZ PHE 52 4.012 -9.425 0.244 416 H THR 53 HN THR 53 -0.542 -8.639 -0.195 417 HA THR 53 HA THR 53 -2.563 -9.146 1.909 418 HB THR 53 HB THR 53 -3.108 -10.579 0.077 419 HG1 THR 53 HG1 THR 53 -2.693 -12.637 0.968 420 HG21 THR 53 3HG2 THR 53 -0.190 -11.412 -0.085 421 HG22 THR 53 1HG2 THR 53 -1.031 -10.378 -1.244 422 HG23 THR 53 2HG2 THR 53 -1.508 -12.068 -1.060 423 H SER 54 HN SER 54 -1.932 -10.180 3.753 424 HA SER 54 HA SER 54 0.784 -9.935 4.597 425 HB2 SER 54 2HB SER 54 -1.108 -9.498 6.114 426 HB3 SER 54 1HB SER 54 -1.582 -11.194 6.020 427 HG SER 54 HG SER 54 0.376 -11.744 7.009 428 H LYS 55 HN LYS 55 -0.994 -12.517 3.138 429 HA LYS 55 HA LYS 55 0.408 -14.791 3.898 430 HB2 LYS 55 2HB LYS 55 -1.549 -14.846 2.397 431 HB3 LYS 55 1HB LYS 55 -0.621 -14.073 1.113 432 HG2 LYS 55 2HG LYS 55 0.851 -16.051 0.968 433 HG3 LYS 55 1HG LYS 55 -0.027 -16.814 2.296 434 HD2 LYS 55 2HD LYS 55 -0.794 -17.769 0.213 435 HD3 LYS 55 1HD LYS 55 -2.095 -16.790 0.891 436 HE2 LYS 55 2HE LYS 55 -1.960 -16.417 -1.507 437 HE3 LYS 55 1HE LYS 55 -1.476 -14.945 -0.669 438 HZ1 LYS 55 3HZ LYS 55 -0.026 -15.497 -2.540 439 HZ2 LYS 55 1HZ LYS 55 0.405 -16.950 -1.795 440 HZ3 LYS 55 2HZ LYS 55 0.819 -15.475 -1.081 441 H ASP 56 HN ASP 56 1.359 -12.296 1.566 442 HA ASP 56 HA ASP 56 3.971 -13.623 1.059 443 HB2 ASP 56 2HB ASP 56 2.530 -11.412 -0.500 444 HB3 ASP 56 1HB ASP 56 4.071 -12.132 -0.952 445 H LYS 57 HN LYS 57 3.180 -11.859 3.461 446 HA LYS 57 HA LYS 57 4.162 -9.233 3.037 447 HB2 LYS 57 2HB LYS 57 2.478 -9.620 4.694 448 HB3 LYS 57 1HB LYS 57 3.459 -10.793 5.540 449 HG2 LYS 57 2HG LYS 57 4.413 -7.936 5.421 450 HG3 LYS 57 1HG LYS 57 3.070 -8.340 6.492 451 HD2 LYS 57 2HD LYS 57 4.599 -10.180 7.455 452 HD3 LYS 57 1HD LYS 57 5.921 -9.396 6.584 453 HE2 LYS 57 2HE LYS 57 4.183 -8.133 8.728 454 HE3 LYS 57 1HE LYS 57 5.848 -8.677 8.925 455 HZ1 LYS 57 3HZ LYS 57 4.904 -6.449 7.213 456 HZ2 LYS 57 1HZ LYS 57 6.495 -7.022 7.243 457 HZ3 LYS 57 2HZ LYS 57 5.814 -6.333 8.627 458 H PHE 58 HN PHE 58 6.080 -8.356 3.223 459 HA PHE 58 HA PHE 58 8.422 -9.943 4.087 460 HB2 PHE 58 2HB PHE 58 8.325 -9.134 1.683 461 HB3 PHE 58 1HB PHE 58 8.301 -7.478 2.270 462 HD1 PHE 58 HD2 PHE 58 10.381 -10.605 2.400 463 HD2 PHE 58 HD1 PHE 58 10.356 -6.331 2.522 464 HE1 PHE 58 HE2 PHE 58 12.836 -10.579 2.396 465 HE2 PHE 58 HE1 PHE 58 12.809 -6.316 2.510 466 HZ PHE 58 HZ PHE 58 14.055 -8.437 2.448 467 H ASP 59 HN ASP 59 10.158 -8.662 5.134 468 HA ASP 59 HA ASP 59 9.207 -7.084 7.337 469 HB2 ASP 59 2HB ASP 59 11.111 -8.652 7.575 470 HB3 ASP 59 1HB ASP 59 12.038 -7.747 6.388 471 H SER 60 HN SER 60 9.750 -4.873 7.812 472 HA SER 60 HA SER 60 10.015 -3.085 5.555 473 HB2 SER 60 2HB SER 60 9.837 -2.593 8.554 474 HB3 SER 60 1HB SER 60 9.971 -1.305 7.357 475 HG SER 60 HG SER 60 7.951 -1.524 6.946 476 H GLN 61 HN GLN 61 12.010 -3.852 4.755 477 HA GLN 61 HA GLN 61 14.457 -4.022 6.135 478 HB2 GLN 61 2HB GLN 61 14.009 -5.125 3.947 479 HB3 GLN 61 1HB GLN 61 13.955 -3.558 3.153 480 HG2 GLN 61 2HG GLN 61 16.083 -4.598 2.680 481 HG3 GLN 61 1HG GLN 61 16.362 -3.221 3.745 482 HE21 GLN 61 1HE2 GLN 61 16.445 -6.688 3.462 483 HE22 GLN 61 2HE2 GLN 61 17.301 -6.999 4.929 484 H CYS 62 HN CYS 62 12.864 -1.317 4.564 485 HA CYS 62 HA CYS 62 15.099 0.504 5.274 486 HB2 CYS 62 2HB CYS 62 13.034 0.799 3.052 487 HB3 CYS 62 1HB CYS 62 14.381 1.895 3.365 488 HG CYS 62 HG CYS 62 15.913 -0.836 3.049 489 H GLY 63 HN GLY 63 12.521 -0.427 6.764 490 HA2 GLY 63 2HA GLY 63 11.155 0.669 8.335 491 HA3 GLY 63 1HA GLY 63 11.493 2.213 7.563 492 H TRP 64 HN TRP 64 10.867 1.291 4.890 493 HA TRP 64 HA TRP 64 7.939 1.042 4.963 494 HB2 TRP 64 2HB TRP 64 9.711 1.581 2.538 495 HB3 TRP 64 1HB TRP 64 7.975 1.851 2.680 496 HD1 TRP 64 HD1 TRP 64 7.250 3.961 4.391 497 HE1 TRP 64 HE1 TRP 64 8.482 6.168 4.836 498 HE3 TRP 64 HE3 TRP 64 11.898 2.703 2.651 499 HZ2 TRP 64 HZ2 TRP 64 11.055 7.249 4.520 500 HZ3 TRP 64 HZ3 TRP 64 13.694 4.395 2.758 501 HH2 TRP 64 HH2 TRP 64 13.276 6.624 3.676 502 HA PRO 65 HA PRO 65 8.458 -3.298 3.687 503 HB2 PRO 65 2HB PRO 65 5.889 -3.844 2.914 504 HB3 PRO 65 1HB PRO 65 6.370 -3.719 4.612 505 HG2 PRO 65 2HG PRO 65 5.064 -1.633 2.859 506 HG3 PRO 65 1HG PRO 65 4.651 -2.098 4.523 507 HD2 PRO 65 2HD PRO 65 6.145 0.109 3.978 508 HD3 PRO 65 1HD PRO 65 6.412 -0.861 5.445 509 H SER 66 HN SER 66 9.153 -4.164 1.818 510 HA SER 66 HA SER 66 8.335 -3.065 -0.790 511 HB2 SER 66 2HB SER 66 10.762 -3.055 -1.486 512 HB3 SER 66 1HB SER 66 10.414 -1.898 -0.200 513 HG SER 66 HG SER 66 11.628 -4.457 0.068 514 H PHE 67 HN PHE 67 8.028 -4.638 -2.331 515 HA PHE 67 HA PHE 67 9.290 -7.234 -2.203 516 HB2 PHE 67 2HB PHE 67 7.335 -7.281 -0.500 517 HB3 PHE 67 1HB PHE 67 6.251 -7.168 -1.872 518 HD1 PHE 67 HD1 PHE 67 9.095 -9.273 -0.593 519 HD2 PHE 67 HD2 PHE 67 5.396 -9.190 -2.755 520 HE1 PHE 67 HE1 PHE 67 9.120 -11.728 -0.742 521 HE2 PHE 67 HE2 PHE 67 5.439 -11.644 -2.899 522 HZ PHE 67 HZ PHE 67 7.295 -12.915 -1.899 523 H THR 68 HN THR 68 7.994 -8.693 -3.979 524 HA THR 68 HA THR 68 8.473 -7.237 -6.443 525 HB THR 68 HB THR 68 8.250 -9.577 -7.456 526 HG1 THR 68 HG1 THR 68 8.556 -11.081 -5.355 527 HG21 THR 68 3HG2 THR 68 10.376 -10.410 -6.559 528 HG22 THR 68 1HG2 THR 68 10.262 -9.304 -5.188 529 HG23 THR 68 2HG2 THR 68 10.470 -8.666 -6.827 530 H LYS 69 HN LYS 69 5.691 -8.702 -4.796 531 HA LYS 69 HA LYS 69 3.978 -8.140 -7.152 532 HB2 LYS 69 2HB LYS 69 2.560 -10.117 -6.582 533 HB3 LYS 69 1HB LYS 69 4.178 -10.529 -7.118 534 HG2 LYS 69 2HG LYS 69 4.855 -11.268 -4.987 535 HG3 LYS 69 1HG LYS 69 3.559 -10.400 -4.165 536 HD2 LYS 69 2HD LYS 69 3.176 -12.851 -4.175 537 HD3 LYS 69 1HD LYS 69 1.894 -11.977 -5.013 538 HE2 LYS 69 2HE LYS 69 2.405 -13.936 -6.307 539 HE3 LYS 69 1HE LYS 69 3.047 -12.557 -7.194 540 HZ1 LYS 69 3HZ LYS 69 4.548 -14.514 -5.565 541 HZ2 LYS 69 1HZ LYS 69 5.225 -13.087 -6.156 542 HZ3 LYS 69 2HZ LYS 69 4.656 -14.256 -7.229 543 HA PRO 70 HA PRO 70 1.363 -6.111 -3.973 544 HB2 PRO 70 2HB PRO 70 0.545 -4.033 -5.450 545 HB3 PRO 70 1HB PRO 70 2.210 -4.076 -4.842 546 HG2 PRO 70 2HG PRO 70 1.188 -4.726 -7.612 547 HG3 PRO 70 1HG PRO 70 2.630 -3.801 -7.145 548 HD2 PRO 70 2HD PRO 70 2.631 -6.525 -7.848 549 HD3 PRO 70 1HD PRO 70 3.918 -5.706 -6.934 550 H ILE 71 HN ILE 71 -1.048 -5.373 -4.376 551 HA ILE 71 HA ILE 71 -2.481 -7.401 -5.950 552 HB ILE 71 HB ILE 71 -3.526 -5.251 -4.053 553 HG12 ILE 71 2HG1 ILE 71 -3.538 -8.303 -3.856 554 HG13 ILE 71 1HG1 ILE 71 -2.455 -7.229 -2.976 555 HG21 ILE 71 1HG2 ILE 71 -5.168 -7.255 -5.657 556 HG22 ILE 71 2HG2 ILE 71 -5.167 -5.502 -5.863 557 HG23 ILE 71 3HG2 ILE 71 -5.796 -6.212 -4.378 558 HD11 ILE 71 3HD1 ILE 71 -4.216 -8.005 -1.529 559 HD12 ILE 71 1HD1 ILE 71 -5.449 -7.419 -2.646 560 HD13 ILE 71 2HD1 ILE 71 -4.405 -6.270 -1.801 561 H GLU 72 HN GLU 72 -2.436 -6.954 -8.017 562 HA GLU 72 HA GLU 72 -1.780 -4.323 -9.061 563 HB2 GLU 72 2HB GLU 72 -1.698 -5.481 -11.274 564 HB3 GLU 72 1HB GLU 72 -0.703 -6.272 -10.056 565 HG2 GLU 72 2HG GLU 72 -2.365 -8.019 -9.754 566 HG3 GLU 72 1HG GLU 72 -3.482 -7.200 -10.844 567 H GLU 73 HN GLU 73 -4.611 -6.049 -8.417 568 HA GLU 73 HA GLU 73 -6.421 -5.323 -10.419 569 HB2 GLU 73 2HB GLU 73 -7.049 -5.703 -7.460 570 HB3 GLU 73 1HB GLU 73 -8.151 -5.935 -8.811 571 HG2 GLU 73 2HG GLU 73 -5.732 -7.641 -8.149 572 HG3 GLU 73 1HG GLU 73 -7.413 -8.069 -7.856 573 H GLU 74 HN GLU 74 -5.598 -3.709 -7.326 574 HA GLU 74 HA GLU 74 -7.292 -1.393 -8.081 575 HB2 GLU 74 2HB GLU 74 -6.524 -2.442 -5.333 576 HB3 GLU 74 1HB GLU 74 -7.557 -1.047 -5.642 577 HG2 GLU 74 2HG GLU 74 -8.215 -3.884 -6.528 578 HG3 GLU 74 1HG GLU 74 -8.791 -3.161 -5.031 579 H VAL 75 HN VAL 75 -4.081 -2.273 -7.786 580 HA VAL 75 HA VAL 75 -3.058 0.344 -6.995 581 HB VAL 75 HB VAL 75 -1.743 -2.262 -7.851 582 HG11 VAL 75 1HG1 VAL 75 -0.290 0.359 -7.326 583 HG12 VAL 75 2HG1 VAL 75 -0.383 -0.479 -8.877 584 HG13 VAL 75 3HG1 VAL 75 0.483 -1.215 -7.527 585 HG21 VAL 75 3HG2 VAL 75 -1.560 -0.660 -5.267 586 HG22 VAL 75 1HG2 VAL 75 -0.755 -2.201 -5.578 587 HG23 VAL 75 2HG2 VAL 75 -2.517 -2.125 -5.500 588 H GLU 76 HN GLU 76 -2.298 1.890 -8.400 589 HA GLU 76 HA GLU 76 -2.637 1.484 -11.317 590 HB2 GLU 76 2HB GLU 76 -4.450 2.884 -10.493 591 HB3 GLU 76 1HB GLU 76 -3.337 3.888 -9.578 592 HG2 GLU 76 2HG GLU 76 -4.103 5.084 -11.543 593 HG3 GLU 76 1HG GLU 76 -2.378 4.752 -11.681 594 H GLU 77 HN GLU 77 -0.931 2.074 -12.542 595 HA GLU 77 HA GLU 77 1.552 2.969 -11.267 596 HB2 GLU 77 2HB GLU 77 2.604 2.274 -13.410 597 HB3 GLU 77 1HB GLU 77 1.630 0.986 -12.707 598 HG2 GLU 77 2HG GLU 77 -0.217 1.567 -14.287 599 HG3 GLU 77 1HG GLU 77 0.828 2.777 -15.026 600 H LYS 78 HN LYS 78 2.781 4.741 -11.977 601 HA LYS 78 HA LYS 78 1.807 6.517 -14.111 602 HB2 LYS 78 2HB LYS 78 0.798 7.509 -12.139 603 HB3 LYS 78 1HB LYS 78 2.303 7.409 -11.234 604 HG2 LYS 78 2HG LYS 78 3.307 9.129 -12.675 605 HG3 LYS 78 1HG LYS 78 1.835 9.196 -13.657 606 HD2 LYS 78 2HD LYS 78 0.559 10.043 -11.744 607 HD3 LYS 78 1HD LYS 78 1.962 9.864 -10.683 608 HE2 LYS 78 2HE LYS 78 1.831 11.734 -13.081 609 HE3 LYS 78 1HE LYS 78 1.576 12.218 -11.404 610 HZ1 LYS 78 3HZ LYS 78 3.825 12.689 -12.051 611 HZ2 LYS 78 1HZ LYS 78 4.079 11.096 -12.545 612 HZ3 LYS 78 2HZ LYS 78 3.840 11.447 -10.912 613 H LEU 79 HN LEU 79 3.543 6.379 -15.439 614 HA LEU 79 HA LEU 79 6.227 5.981 -14.586 615 HB2 LEU 79 2HB LEU 79 5.326 5.229 -16.787 616 HB3 LEU 79 1HB LEU 79 5.187 6.905 -17.295 617 HG LEU 79 HG LEU 79 7.682 7.140 -17.131 618 HD11 LEU 79 1HD1 LEU 79 7.684 4.161 -16.584 619 HD12 LEU 79 2HD1 LEU 79 8.153 5.433 -15.456 620 HD13 LEU 79 3HD1 LEU 79 9.110 5.157 -16.910 621 HD21 LEU 79 3HD2 LEU 79 6.756 4.905 -18.951 622 HD22 LEU 79 1HD2 LEU 79 8.228 5.863 -19.151 623 HD23 LEU 79 2HD2 LEU 79 6.647 6.637 -19.284 624 H ASP 80 HN ASP 80 7.967 7.389 -14.748 625 HA ASP 80 HA ASP 80 7.584 10.282 -14.907 626 HB2 ASP 80 2HB ASP 80 7.197 9.746 -12.517 627 HB3 ASP 80 1HB ASP 80 8.705 8.841 -12.445 628 H THR 81 HN THR 81 9.433 11.329 -15.561 629 HA THR 81 HA THR 81 12.017 9.914 -15.722 630 HB THR 81 HB THR 81 12.350 10.915 -18.055 631 HG1 THR 81 HG1 THR 81 9.553 11.355 -17.767 632 HG21 THR 81 3HG2 THR 81 11.098 9.159 -19.270 633 HG22 THR 81 1HG2 THR 81 10.157 8.818 -17.814 634 HG23 THR 81 2HG2 THR 81 11.896 8.503 -17.838 635 H SER 82 HN SER 82 10.782 12.085 -14.054 636 HA SER 82 HA SER 82 11.768 14.631 -15.001 637 HB2 SER 82 2HB SER 82 9.623 14.383 -13.738 638 HB3 SER 82 1HB SER 82 10.541 13.913 -12.308 639 HG SER 82 HG SER 82 11.579 16.000 -12.453 640 H HIS 83 HN HIS 83 13.109 12.097 -13.062 641 HA HIS 83 HA HIS 83 15.238 13.834 -11.974 642 HB2 HIS 83 2HB HIS 83 14.154 11.990 -10.570 643 HB3 HIS 83 1HB HIS 83 14.918 10.813 -11.631 644 HD1 HIS 83 HD1 HIS 83 16.783 9.812 -10.292 645 HD2 HIS 83 HD2 HIS 83 16.557 13.931 -9.770 646 HE1 HIS 83 HE1 HIS 83 18.740 10.418 -8.842 647 HE2 HIS 83 HE2 HIS 83 18.699 12.929 -8.727 648 H GLY 84 HN GLY 84 14.720 12.886 -14.932 649 HA2 GLY 84 2HA GLY 84 16.003 12.442 -16.786 650 HA3 GLY 84 1HA GLY 84 17.439 12.498 -15.772 651 H MET 85 HN MET 85 15.104 10.392 -14.564 652 HA MET 85 HA MET 85 16.432 7.982 -15.632 653 HB2 MET 85 2HB MET 85 15.669 8.519 -12.720 654 HB3 MET 85 1HB MET 85 16.314 7.008 -13.348 655 HG2 MET 85 2HG MET 85 18.421 8.159 -13.914 656 HG3 MET 85 1HG MET 85 17.772 9.654 -13.229 657 HE1 MET 85 3HE MET 85 18.639 5.826 -10.762 658 HE2 MET 85 1HE MET 85 18.880 5.952 -12.502 659 HE3 MET 85 2HE MET 85 17.248 5.942 -11.833 660 H ILE 86 HN ILE 86 15.103 6.144 -15.729 661 HA ILE 86 HA ILE 86 12.271 6.484 -15.948 662 HB ILE 86 HB ILE 86 13.917 3.914 -15.796 663 HG12 ILE 86 2HG1 ILE 86 14.534 5.272 -17.758 664 HG13 ILE 86 1HG1 ILE 86 13.670 3.829 -18.270 665 HG21 ILE 86 1HG2 ILE 86 11.012 4.259 -16.635 666 HG22 ILE 86 2HG2 ILE 86 11.594 3.423 -15.192 667 HG23 ILE 86 3HG2 ILE 86 11.946 2.767 -16.792 668 HD11 ILE 86 3HD1 ILE 86 13.005 5.745 -19.559 669 HD12 ILE 86 1HD1 ILE 86 12.534 6.617 -18.100 670 HD13 ILE 86 2HD1 ILE 86 11.644 5.171 -18.597 671 H ARG 87 HN ARG 87 10.795 6.380 -14.349 672 HA ARG 87 HA ARG 87 11.229 4.932 -11.873 673 HB2 ARG 87 2HB ARG 87 12.167 7.251 -11.436 674 HB3 ARG 87 1HB ARG 87 10.604 7.938 -11.873 675 HG2 ARG 87 2HG ARG 87 9.591 6.606 -9.958 676 HG3 ARG 87 1HG ARG 87 11.232 6.152 -9.492 677 HD2 ARG 87 2HD ARG 87 10.544 7.989 -8.109 678 HD3 ARG 87 1HD ARG 87 11.758 8.602 -9.236 679 HE ARG 87 HE ARG 87 9.438 9.168 -10.508 680 HH11 ARG 87 1HH1 ARG 87 10.549 9.897 -7.255 681 HH12 ARG 87 2HH1 ARG 87 9.581 11.328 -7.107 682 HH21 ARG 87 1HH2 ARG 87 8.124 11.037 -10.272 683 HH22 ARG 87 2HH2 ARG 87 8.191 11.956 -8.806 684 H THR 88 HN THR 88 9.252 4.151 -11.219 685 HA THR 88 HA THR 88 6.798 5.328 -12.401 686 HB THR 88 HB THR 88 7.255 2.370 -11.794 687 HG1 THR 88 HG1 THR 88 7.977 3.815 -13.896 688 HG21 THR 88 3HG2 THR 88 4.891 3.756 -13.128 689 HG22 THR 88 1HG2 THR 88 4.874 3.024 -11.524 690 HG23 THR 88 2HG2 THR 88 5.099 2.012 -12.954 691 H GLU 89 HN GLU 89 5.313 5.901 -10.972 692 HA GLU 89 HA GLU 89 5.639 5.243 -8.104 693 HB2 GLU 89 2HB GLU 89 6.178 7.620 -8.744 694 HB3 GLU 89 1HB GLU 89 4.526 7.818 -9.316 695 HG2 GLU 89 2HG GLU 89 3.646 7.584 -7.086 696 HG3 GLU 89 1HG GLU 89 5.204 7.059 -6.463 697 H VAL 90 HN VAL 90 3.910 4.288 -7.156 698 HA VAL 90 HA VAL 90 1.529 3.824 -8.806 699 HB VAL 90 HB VAL 90 0.944 2.047 -7.075 700 HG11 VAL 90 1HG1 VAL 90 3.576 1.729 -8.569 701 HG12 VAL 90 2HG1 VAL 90 1.957 1.469 -9.233 702 HG13 VAL 90 3HG1 VAL 90 2.571 0.407 -7.964 703 HG21 VAL 90 3HG2 VAL 90 2.767 1.198 -5.609 704 HG22 VAL 90 1HG2 VAL 90 2.309 2.850 -5.175 705 HG23 VAL 90 2HG2 VAL 90 3.788 2.557 -6.091 706 H ARG 91 HN ARG 91 -0.286 4.771 -8.430 707 HA ARG 91 HA ARG 91 -1.325 5.623 -5.932 708 HB2 ARG 91 2HB ARG 91 -1.413 8.098 -6.561 709 HB3 ARG 91 1HB ARG 91 0.160 7.501 -6.063 710 HG2 ARG 91 2HG ARG 91 0.930 7.447 -8.383 711 HG3 ARG 91 1HG ARG 91 -0.673 7.922 -8.958 712 HD2 ARG 91 2HD ARG 91 0.978 9.803 -8.893 713 HD3 ARG 91 1HD ARG 91 -0.468 10.100 -7.925 714 HE ARG 91 HE ARG 91 2.178 9.311 -6.832 715 HH11 ARG 91 1HH1 ARG 91 -0.867 11.052 -6.436 716 HH12 ARG 91 2HH1 ARG 91 -0.440 11.669 -4.875 717 HH21 ARG 91 1HH2 ARG 91 2.711 10.109 -4.813 718 HH22 ARG 91 2HH2 ARG 91 1.602 11.117 -3.944 719 H SER 92 HN SER 92 -3.535 5.360 -6.224 720 HA SER 92 HA SER 92 -4.613 5.408 -8.927 721 HB2 SER 92 2HB SER 92 -5.384 3.726 -7.200 722 HB3 SER 92 1HB SER 92 -6.181 5.050 -6.345 723 HG SER 92 HG SER 92 -6.753 3.949 -8.874 724 H ARG 93 HN ARG 93 -6.727 6.684 -9.256 725 HA ARG 93 HA ARG 93 -5.633 9.390 -9.268 726 HB2 ARG 93 2HB ARG 93 -6.241 8.293 -11.366 727 HB3 ARG 93 1HB ARG 93 -7.900 8.094 -10.827 728 HG2 ARG 93 2HG ARG 93 -8.256 10.516 -10.920 729 HG3 ARG 93 1HG ARG 93 -6.562 10.770 -11.346 730 HD2 ARG 93 2HD ARG 93 -8.102 10.881 -13.311 731 HD3 ARG 93 1HD ARG 93 -6.860 9.632 -13.467 732 HE ARG 93 HE ARG 93 -9.665 9.065 -12.649 733 HH11 ARG 93 1HH1 ARG 93 -6.827 8.189 -14.546 734 HH12 ARG 93 2HH1 ARG 93 -7.542 6.740 -15.171 735 HH21 ARG 93 1HH2 ARG 93 -10.574 7.144 -13.461 736 HH22 ARG 93 2HH2 ARG 93 -9.672 6.151 -14.560 737 H THR 94 HN THR 94 -8.539 7.775 -7.989 738 HA THR 94 HA THR 94 -9.889 10.294 -7.474 739 HB THR 94 HB THR 94 -10.706 7.453 -6.734 740 HG1 THR 94 HG1 THR 94 -10.659 7.642 -8.951 741 HG21 THR 94 3HG2 THR 94 -11.879 9.136 -5.342 742 HG22 THR 94 1HG2 THR 94 -12.986 8.384 -6.495 743 HG23 THR 94 2HG2 THR 94 -12.365 10.008 -6.800 744 H ALA 95 HN ALA 95 -8.967 7.567 -5.275 745 HA ALA 95 HA ALA 95 -8.752 9.518 -3.028 746 HB1 ALA 95 3HB ALA 95 -9.772 6.655 -2.879 747 HB2 ALA 95 1HB ALA 95 -10.784 8.104 -2.877 748 HB3 ALA 95 2HB ALA 95 -9.671 7.803 -1.542 749 H ASP 96 HN ASP 96 -7.415 6.577 -4.451 750 HA ASP 96 HA ASP 96 -5.945 5.824 -2.083 751 HB2 ASP 96 2HB ASP 96 -5.738 4.434 -4.764 752 HB3 ASP 96 1HB ASP 96 -5.455 3.767 -3.163 753 H SER 97 HN SER 97 -5.063 8.274 -3.758 754 HA SER 97 HA SER 97 -2.675 7.752 -5.136 755 HB2 SER 97 2HB SER 97 -2.283 10.250 -4.806 756 HB3 SER 97 1HB SER 97 -3.845 9.810 -5.489 757 HG SER 97 HG SER 97 -4.769 10.729 -3.847 758 H HIS 98 HN HIS 98 -3.108 7.471 -1.813 759 HA HIS 98 HA HIS 98 -0.626 8.450 -0.797 760 HB2 HIS 98 2HB HIS 98 -2.430 6.414 0.568 761 HB3 HIS 98 1HB HIS 98 -1.344 7.580 1.324 762 HD1 HIS 98 HD1 HIS 98 -4.757 7.075 0.250 763 HD2 HIS 98 HD2 HIS 98 -2.312 10.328 1.085 764 HE1 HIS 98 HE1 HIS 98 -6.297 9.046 0.432 765 HE2 HIS 98 HE2 HIS 98 -4.781 11.023 0.729 766 H LEU 99 HN LEU 99 -1.043 5.730 -2.741 767 HA LEU 99 HA LEU 99 -0.067 3.567 -1.286 768 HB2 LEU 99 2HB LEU 99 0.608 3.940 -4.221 769 HB3 LEU 99 1HB LEU 99 0.428 2.432 -3.351 770 HG LEU 99 HG LEU 99 -1.781 4.339 -4.183 771 HD11 LEU 99 1HD1 LEU 99 -1.221 1.491 -5.076 772 HD12 LEU 99 2HD1 LEU 99 -0.929 2.955 -6.021 773 HD13 LEU 99 3HD1 LEU 99 -2.577 2.505 -5.591 774 HD21 LEU 99 3HD2 LEU 99 -2.341 3.434 -1.998 775 HD22 LEU 99 1HD2 LEU 99 -2.045 1.792 -2.580 776 HD23 LEU 99 2HD2 LEU 99 -3.377 2.743 -3.242 777 H GLY 100 HN GLY 100 2.064 5.163 -3.755 778 HA2 GLY 100 2HA GLY 100 4.292 5.784 -2.370 779 HA3 GLY 100 1HA GLY 100 4.364 4.023 -2.360 780 H HIS 101 HN HIS 101 6.308 4.228 -3.473 781 HA HIS 101 HA HIS 101 6.099 4.786 -6.375 782 HB2 HIS 101 2HB HIS 101 8.609 5.310 -6.224 783 HB3 HIS 101 1HB HIS 101 7.534 6.498 -5.508 784 HD1 HIS 101 HD1 HIS 101 9.506 7.391 -4.053 785 HD2 HIS 101 HD2 HIS 101 8.500 3.434 -3.261 786 HE1 HIS 101 HE1 HIS 101 10.670 6.810 -1.900 787 HE2 HIS 101 HE2 HIS 101 10.114 4.396 -1.483 788 H VAL 102 HN VAL 102 7.492 3.433 -7.688 789 HA VAL 102 HA VAL 102 8.408 0.921 -6.458 790 HB VAL 102 HB VAL 102 7.597 -0.500 -8.192 791 HG11 VAL 102 1HG1 VAL 102 5.297 1.356 -7.514 792 HG12 VAL 102 2HG1 VAL 102 5.907 0.055 -6.500 793 HG13 VAL 102 3HG1 VAL 102 5.164 -0.321 -8.053 794 HG21 VAL 102 3HG2 VAL 102 7.966 0.882 -10.171 795 HG22 VAL 102 1HG2 VAL 102 6.608 1.929 -9.735 796 HG23 VAL 102 2HG2 VAL 102 6.325 0.243 -10.184 797 H PHE 103 HN PHE 103 10.284 0.115 -7.301 798 HA PHE 103 HA PHE 103 11.664 1.778 -9.331 799 HB2 PHE 103 2HB PHE 103 12.859 0.268 -6.963 800 HB3 PHE 103 1HB PHE 103 13.787 1.158 -8.170 801 HD1 PHE 103 HD1 PHE 103 13.504 3.678 -8.337 802 HD2 PHE 103 HD2 PHE 103 11.849 1.419 -5.094 803 HE1 PHE 103 HE1 PHE 103 13.237 5.743 -7.029 804 HE2 PHE 103 HE2 PHE 103 11.599 3.487 -3.789 805 HZ PHE 103 HZ PHE 103 12.283 5.652 -4.753 806 H ASN 104 HN ASN 104 12.615 0.812 -10.994 807 HA ASN 104 HA ASN 104 12.391 -2.077 -11.429 808 HB2 ASN 104 2HB ASN 104 11.808 -0.352 -13.215 809 HB3 ASN 104 1HB ASN 104 13.506 0.102 -13.274 810 HD21 ASN 104 1HD2 ASN 104 11.186 -2.446 -13.956 811 HD22 ASN 104 2HD2 ASN 104 12.180 -3.316 -15.070 812 H ASP 105 HN ASP 105 14.193 -0.682 -9.428 813 HA ASP 105 HA ASP 105 16.929 -1.301 -10.260 814 HB2 ASP 105 2HB ASP 105 16.349 0.919 -9.248 815 HB3 ASP 105 1HB ASP 105 15.799 0.114 -7.790 816 H GLY 106 HN GLY 106 14.546 -3.201 -9.308 817 HA2 GLY 106 2HA GLY 106 16.189 -4.841 -7.454 818 HA3 GLY 106 1HA GLY 106 14.524 -4.462 -7.036 819 HA PRO 107 HA PRO 107 14.905 -8.023 -10.315 820 HB2 PRO 107 2HB PRO 107 15.730 -10.258 -9.024 821 HB3 PRO 107 1HB PRO 107 16.874 -9.055 -9.627 822 HG2 PRO 107 2HG PRO 107 15.848 -9.436 -6.819 823 HG3 PRO 107 1HG PRO 107 17.508 -9.119 -7.359 824 HD2 PRO 107 2HD PRO 107 15.808 -7.165 -6.389 825 HD3 PRO 107 1HD PRO 107 17.150 -6.837 -7.510 826 H GLY 108 HN GLY 108 13.013 -8.966 -10.826 827 HA2 GLY 108 2HA GLY 108 11.425 -10.517 -9.012 828 HA3 GLY 108 1HA GLY 108 10.715 -8.929 -9.299 829 HA PRO 109 HA PRO 109 9.682 -12.219 -12.771 830 HB2 PRO 109 2HB PRO 109 6.945 -11.945 -11.526 831 HB3 PRO 109 1HB PRO 109 7.740 -13.376 -12.203 832 HG2 PRO 109 2HG PRO 109 7.549 -13.097 -9.560 833 HG3 PRO 109 1HG PRO 109 9.043 -13.731 -10.283 834 HD2 PRO 109 2HD PRO 109 8.480 -10.957 -9.225 835 HD3 PRO 109 1HD PRO 109 9.934 -11.967 -9.033 836 H ASN 110 HN ASN 110 7.810 -9.478 -11.444 837 HA ASN 110 HA ASN 110 6.859 -8.585 -14.045 838 HB2 ASN 110 2HB ASN 110 5.782 -6.758 -12.765 839 HB3 ASN 110 1HB ASN 110 5.426 -8.322 -12.044 840 HD21 ASN 110 1HD2 ASN 110 5.272 -5.730 -10.771 841 HD22 ASN 110 2HD2 ASN 110 6.345 -5.781 -9.416 842 H GLY 111 HN GLY 111 9.560 -8.036 -11.972 843 HA2 GLY 111 2HA GLY 111 11.570 -6.982 -12.464 844 HA3 GLY 111 1HA GLY 111 10.832 -6.200 -13.852 845 H LEU 112 HN LEU 112 8.815 -5.770 -11.241 846 HA LEU 112 HA LEU 112 10.011 -3.157 -10.528 847 HB2 LEU 112 2HB LEU 112 7.079 -3.952 -10.711 848 HB3 LEU 112 1HB LEU 112 7.636 -2.459 -9.966 849 HG LEU 112 HG LEU 112 7.947 -3.215 -12.897 850 HD11 LEU 112 1HD1 LEU 112 6.393 -1.366 -13.331 851 HD12 LEU 112 2HD1 LEU 112 6.209 -1.103 -11.592 852 HD13 LEU 112 3HD1 LEU 112 5.655 -2.611 -12.325 853 HD21 LEU 112 3HD2 LEU 112 9.895 -1.916 -12.158 854 HD22 LEU 112 1HD2 LEU 112 8.834 -0.669 -11.489 855 HD23 LEU 112 2HD2 LEU 112 8.880 -0.955 -13.234 856 H ARG 113 HN ARG 113 9.779 -2.471 -8.417 857 HA ARG 113 HA ARG 113 9.127 -4.475 -6.329 858 HB2 ARG 113 2HB ARG 113 11.578 -2.668 -6.544 859 HB3 ARG 113 1HB ARG 113 11.061 -3.350 -5.005 860 HG2 ARG 113 2HG ARG 113 11.803 -5.015 -7.434 861 HG3 ARG 113 1HG ARG 113 12.919 -4.590 -6.134 862 HD2 ARG 113 2HD ARG 113 11.308 -5.705 -4.516 863 HD3 ARG 113 1HD ARG 113 10.424 -6.299 -5.927 864 HE ARG 113 HE ARG 113 12.302 -7.622 -6.524 865 HH11 ARG 113 1HH1 ARG 113 12.706 -6.099 -3.367 866 HH12 ARG 113 2HH1 ARG 113 13.933 -7.216 -2.871 867 HH21 ARG 113 1HH2 ARG 113 13.897 -9.073 -5.829 868 HH22 ARG 113 2HH2 ARG 113 14.594 -8.907 -4.248 869 H TYR 114 HN TYR 114 7.297 -3.598 -5.485 870 HA TYR 114 HA TYR 114 6.857 -0.757 -5.441 871 HB2 TYR 114 2HB TYR 114 4.738 -1.195 -4.411 872 HB3 TYR 114 1HB TYR 114 4.976 -2.430 -5.632 873 HD1 TYR 114 HD2 TYR 114 4.986 -1.773 -1.985 874 HD2 TYR 114 HD1 TYR 114 5.015 -4.797 -5.000 875 HE1 TYR 114 HE2 TYR 114 4.563 -3.450 -0.276 876 HE2 TYR 114 HE1 TYR 114 4.590 -6.493 -3.270 877 HH TYR 114 HH TYR 114 4.800 -6.814 -0.952 878 H CYS 115 HN CYS 115 7.151 0.632 -3.773 879 HA CYS 115 HA CYS 115 7.839 -0.407 -1.095 880 HB2 CYS 115 2HB CYS 115 9.914 0.410 -2.157 881 HB3 CYS 115 1HB CYS 115 9.148 1.947 -2.528 882 HG CYS 115 HG CYS 115 9.214 1.023 0.709 883 H ILE 116 HN ILE 116 5.957 -0.077 -0.182 884 HA ILE 116 HA ILE 116 4.409 2.412 -0.583 885 HB ILE 116 HB ILE 116 3.516 -0.161 0.812 886 HG12 ILE 116 2HG1 ILE 116 3.935 -0.653 -1.558 887 HG13 ILE 116 1HG1 ILE 116 2.211 -0.682 -1.241 888 HG21 ILE 116 1HG2 ILE 116 1.229 0.744 0.573 889 HG22 ILE 116 2HG2 ILE 116 1.880 2.208 -0.156 890 HG23 ILE 116 3HG2 ILE 116 2.249 1.826 1.523 891 HD11 ILE 116 3HD1 ILE 116 2.691 0.333 -3.368 892 HD12 ILE 116 1HD1 ILE 116 3.743 1.527 -2.602 893 HD13 ILE 116 2HD1 ILE 116 2.008 1.533 -2.271 894 H ASN 117 HN ASN 117 3.778 3.660 1.274 895 HA ASN 117 HA ASN 117 5.773 3.610 3.372 896 HB2 ASN 117 2HB ASN 117 4.942 5.775 3.990 897 HB3 ASN 117 1HB ASN 117 5.038 5.724 2.237 898 HD21 ASN 117 1HD2 ASN 117 3.059 5.584 1.041 899 HD22 ASN 117 2HD2 ASN 117 1.572 6.108 1.744 900 H SER 118 HN SER 118 5.336 3.502 5.593 901 HA SER 118 HA SER 118 3.587 1.401 6.333 902 HB2 SER 118 2HB SER 118 5.803 1.868 7.408 903 HB3 SER 118 1HB SER 118 5.129 3.317 8.141 904 HG SER 118 HG SER 118 3.476 1.549 8.913 905 H ALA 119 HN ALA 119 3.194 4.867 6.370 906 HA ALA 119 HA ALA 119 1.182 4.990 8.438 907 HB1 ALA 119 3HB ALA 119 1.067 7.381 7.893 908 HB2 ALA 119 1HB ALA 119 2.057 7.113 6.450 909 HB3 ALA 119 2HB ALA 119 2.744 6.859 8.055 910 H ALA 120 HN ALA 120 1.166 4.506 4.967 911 HA ALA 120 HA ALA 120 -1.609 5.306 4.605 912 HB1 ALA 120 3HB ALA 120 -1.324 4.604 2.277 913 HB2 ALA 120 1HB ALA 120 0.251 3.902 2.665 914 HB3 ALA 120 2HB ALA 120 0.010 5.646 2.779 915 H LEU 121 HN LEU 121 0.009 2.514 5.686 916 HA LEU 121 HA LEU 121 -1.876 0.631 4.493 917 HB2 LEU 121 2HB LEU 121 0.744 0.210 5.961 918 HB3 LEU 121 1HB LEU 121 -0.254 -1.079 5.298 919 HG LEU 121 HG LEU 121 1.159 1.097 3.729 920 HD11 LEU 121 1HD1 LEU 121 2.413 -0.764 2.741 921 HD12 LEU 121 2HD1 LEU 121 1.602 -1.891 3.836 922 HD13 LEU 121 3HD1 LEU 121 2.660 -0.626 4.482 923 HD21 LEU 121 3HD2 LEU 121 0.289 -0.039 1.700 924 HD22 LEU 121 1HD2 LEU 121 -0.970 0.714 2.673 925 HD23 LEU 121 2HD2 LEU 121 -0.749 -1.041 2.722 926 H ARG 122 HN ARG 122 -2.983 -0.820 5.581 927 HA ARG 122 HA ARG 122 -3.286 -0.671 8.513 928 HB2 ARG 122 2HB ARG 122 -5.132 0.613 7.815 929 HB3 ARG 122 1HB ARG 122 -5.359 -0.304 6.337 930 HG2 ARG 122 2HG ARG 122 -7.220 -0.711 7.760 931 HG3 ARG 122 1HG ARG 122 -6.259 -2.179 7.681 932 HD2 ARG 122 2HD ARG 122 -5.304 -1.641 9.917 933 HD3 ARG 122 1HD ARG 122 -6.362 -0.219 9.994 934 HE ARG 122 HE ARG 122 -8.144 -2.139 9.484 935 HH11 ARG 122 1HH1 ARG 122 -5.610 -2.037 11.918 936 HH12 ARG 122 2HH1 ARG 122 -6.410 -3.164 12.959 937 HH21 ARG 122 1HH2 ARG 122 -9.163 -3.627 10.840 938 HH22 ARG 122 2HH2 ARG 122 -8.417 -4.076 12.339 939 H PHE 123 HN PHE 123 -2.662 -2.580 9.157 940 HA PHE 123 HA PHE 123 -2.922 -5.016 7.620 941 HB2 PHE 123 2HB PHE 123 -1.684 -6.078 9.443 942 HB3 PHE 123 1HB PHE 123 -0.885 -4.567 9.033 943 HD1 PHE 123 HD1 PHE 123 -2.040 -2.469 10.584 944 HD2 PHE 123 HD2 PHE 123 -1.578 -6.559 11.724 945 HE1 PHE 123 HE1 PHE 123 -2.116 -1.834 12.948 946 HE2 PHE 123 HE2 PHE 123 -1.656 -5.905 14.086 947 HZ PHE 123 HZ PHE 123 -1.927 -3.543 14.700 948 H VAL 124 HN VAL 124 -4.814 -6.177 7.647 949 HA VAL 124 HA VAL 124 -6.723 -5.689 9.868 950 HB VAL 124 HB VAL 124 -7.428 -6.610 7.052 951 HG11 VAL 124 1HG1 VAL 124 -9.746 -5.991 7.707 952 HG12 VAL 124 2HG1 VAL 124 -9.172 -5.585 9.326 953 HG13 VAL 124 3HG1 VAL 124 -9.086 -7.254 8.754 954 HG21 VAL 124 3HG2 VAL 124 -7.613 -3.788 8.174 955 HG22 VAL 124 1HG2 VAL 124 -8.220 -4.319 6.602 956 HG23 VAL 124 2HG2 VAL 124 -6.487 -4.329 6.927 957 HA PRO 125 HA PRO 125 -6.036 -10.077 10.904 958 HB2 PRO 125 2HB PRO 125 -8.419 -10.196 12.464 959 HB3 PRO 125 1HB PRO 125 -6.787 -9.877 13.053 960 HG2 PRO 125 2HG PRO 125 -8.971 -7.952 12.398 961 HG3 PRO 125 1HG PRO 125 -7.738 -7.851 13.662 962 HD2 PRO 125 2HD PRO 125 -7.602 -6.364 11.420 963 HD3 PRO 125 1HD PRO 125 -6.131 -7.008 12.189 964 H LYS 126 HN LYS 126 -6.663 -11.859 9.814 965 HA LYS 126 HA LYS 126 -8.332 -11.894 7.677 966 HB2 LYS 126 2HB LYS 126 -6.591 -13.588 8.210 967 HB3 LYS 126 1HB LYS 126 -7.691 -14.325 9.368 968 HG2 LYS 126 2HG LYS 126 -9.261 -14.877 7.551 969 HG3 LYS 126 1HG LYS 126 -8.218 -14.063 6.386 970 HD2 LYS 126 2HD LYS 126 -7.847 -16.420 6.155 971 HD3 LYS 126 1HD LYS 126 -6.412 -15.742 6.915 972 HE2 LYS 126 2HE LYS 126 -8.623 -17.086 8.507 973 HE3 LYS 126 1HE LYS 126 -7.265 -17.978 7.830 974 HZ1 LYS 126 3HZ LYS 126 -6.807 -17.453 10.086 975 HZ2 LYS 126 1HZ LYS 126 -7.144 -15.815 9.851 976 HZ3 LYS 126 2HZ LYS 126 -5.786 -16.503 9.129 977 H HIS 127 HN HIS 127 -9.246 -12.625 10.995 978 HA HIS 127 HA HIS 127 -11.863 -13.633 10.464 979 HB2 HIS 127 2HB HIS 127 -10.701 -14.042 12.619 980 HB3 HIS 127 1HB HIS 127 -10.794 -12.327 13.009 981 HD1 HIS 127 HD1 HIS 127 -13.066 -15.299 12.419 982 HD2 HIS 127 HD2 HIS 127 -13.147 -11.584 14.275 983 HE1 HIS 127 HE1 HIS 127 -15.282 -15.181 13.598 984 HE2 HIS 127 HE2 HIS 127 -15.381 -12.848 14.542 985 H LYS 128 HN LYS 128 -10.542 -10.407 10.825 986 HA LYS 128 HA LYS 128 -13.180 -9.156 11.169 987 HB2 LYS 128 2HB LYS 128 -11.163 -8.569 12.642 988 HB3 LYS 128 1HB LYS 128 -10.463 -7.784 11.234 989 HG2 LYS 128 2HG LYS 128 -12.394 -6.233 11.149 990 HG3 LYS 128 1HG LYS 128 -13.087 -7.025 12.571 991 HD2 LYS 128 2HD LYS 128 -11.101 -6.336 13.908 992 HD3 LYS 128 1HD LYS 128 -10.423 -5.541 12.480 993 HE2 LYS 128 2HE LYS 128 -12.415 -4.038 12.418 994 HE3 LYS 128 1HE LYS 128 -13.013 -4.800 13.893 995 HZ1 LYS 128 3HZ LYS 128 -10.481 -3.276 13.612 996 HZ2 LYS 128 1HZ LYS 128 -11.009 -4.033 15.030 997 HZ3 LYS 128 2HZ LYS 128 -11.888 -2.743 14.378 998 H LEU 129 HN LEU 129 -10.944 -9.910 8.681 999 HA LEU 129 HA LEU 129 -11.449 -7.946 6.759 1000 HB2 LEU 129 2HB LEU 129 -11.198 -10.955 6.413 1001 HB3 LEU 129 1HB LEU 129 -11.220 -9.821 5.068 1002 HG LEU 129 HG LEU 129 -9.097 -9.830 7.257 1003 HD11 LEU 129 1HD1 LEU 129 -8.968 -11.861 5.915 1004 HD12 LEU 129 2HD1 LEU 129 -7.597 -10.790 5.605 1005 HD13 LEU 129 3HD1 LEU 129 -8.921 -10.898 4.430 1006 HD21 LEU 129 3HD2 LEU 129 -9.172 -8.365 4.609 1007 HD22 LEU 129 1HD2 LEU 129 -7.885 -8.302 5.820 1008 HD23 LEU 129 2HD2 LEU 129 -9.476 -7.638 6.194 1009 H LYS 130 HN LYS 130 -13.383 -10.829 7.569 1010 HA LYS 130 HA LYS 130 -15.445 -10.507 5.661 1011 HB2 LYS 130 2HB LYS 130 -14.952 -12.607 6.940 1012 HB3 LYS 130 1HB LYS 130 -15.563 -11.840 8.401 1013 HG2 LYS 130 2HG LYS 130 -17.810 -11.663 7.345 1014 HG3 LYS 130 1HG LYS 130 -17.187 -12.489 5.910 1015 HD2 LYS 130 2HD LYS 130 -16.684 -14.487 7.302 1016 HD3 LYS 130 1HD LYS 130 -17.310 -13.645 8.724 1017 HE2 LYS 130 2HE LYS 130 -18.912 -14.410 6.256 1018 HE3 LYS 130 1HE LYS 130 -18.984 -15.203 7.827 1019 HZ1 LYS 130 3HZ LYS 130 -19.782 -13.079 8.759 1020 HZ2 LYS 130 1HZ LYS 130 -20.829 -13.721 7.596 1021 HZ3 LYS 130 2HZ LYS 130 -19.818 -12.426 7.205 1022 H GLU 131 HN GLU 131 -14.924 -9.213 8.874 1023 HA GLU 131 HA GLU 131 -17.506 -8.089 9.341 1024 HB2 GLU 131 2HB GLU 131 -15.960 -8.671 11.169 1025 HB3 GLU 131 1HB GLU 131 -14.781 -7.511 10.578 1026 HG2 GLU 131 2HG GLU 131 -15.886 -6.606 12.530 1027 HG3 GLU 131 1HG GLU 131 -16.344 -5.663 11.116 1028 H GLU 132 HN GLU 132 -14.481 -6.897 7.944 1029 HA GLU 132 HA GLU 132 -15.550 -4.154 7.701 1030 HB2 GLU 132 2HB GLU 132 -12.747 -5.281 7.351 1031 HB3 GLU 132 1HB GLU 132 -13.172 -3.594 7.066 1032 HG2 GLU 132 2HG GLU 132 -13.938 -3.473 9.482 1033 HG3 GLU 132 1HG GLU 132 -13.267 -5.090 9.712 1034 H GLY 133 HN GLY 133 -15.774 -6.874 5.919 1035 HA2 GLY 133 2HA GLY 133 -16.603 -7.207 3.821 1036 HA3 GLY 133 1HA GLY 133 -16.616 -5.472 3.589 1037 H TYR 134 HN TYR 134 -13.690 -7.259 4.399 1038 HA TYR 134 HA TYR 134 -12.545 -6.662 1.746 1039 HB2 TYR 134 2HB TYR 134 -11.105 -7.519 4.287 1040 HB3 TYR 134 1HB TYR 134 -10.356 -6.949 2.799 1041 HD1 TYR 134 HD2 TYR 134 -12.285 -4.568 2.326 1042 HD2 TYR 134 HD1 TYR 134 -10.162 -5.896 5.787 1043 HE1 TYR 134 HE2 TYR 134 -12.312 -2.292 3.215 1044 HE2 TYR 134 HE1 TYR 134 -10.183 -3.608 6.673 1045 HH TYR 134 HH TYR 134 -10.394 -1.301 5.836 1046 H GLU 135 HN GLU 135 -14.393 -8.707 1.934 1047 HA GLU 135 HA GLU 135 -13.472 -11.310 2.087 1048 HB2 GLU 135 2HB GLU 135 -15.368 -11.911 0.622 1049 HB3 GLU 135 1HB GLU 135 -15.836 -10.788 1.895 1050 HG2 GLU 135 2HG GLU 135 -15.846 -8.925 0.311 1051 HG3 GLU 135 1HG GLU 135 -15.272 -9.981 -0.978 1052 H SER 136 HN SER 136 -12.576 -8.916 -0.236 1053 HA SER 136 HA SER 136 -11.832 -10.262 -2.493 1054 HB2 SER 136 2HB SER 136 -10.212 -8.155 -1.000 1055 HB3 SER 136 1HB SER 136 -9.952 -8.627 -2.683 1056 HG SER 136 HG SER 136 -12.417 -8.064 -2.708 1057 H TYR 137 HN TYR 137 -9.965 -10.164 0.635 1058 HA TYR 137 HA TYR 137 -7.784 -11.816 -0.240 1059 HB2 TYR 137 2HB TYR 137 -7.588 -10.504 1.831 1060 HB3 TYR 137 1HB TYR 137 -8.865 -11.432 2.589 1061 HD1 TYR 137 HD2 TYR 137 -5.452 -11.847 1.050 1062 HD2 TYR 137 HD1 TYR 137 -8.258 -13.358 3.902 1063 HE1 TYR 137 HE2 TYR 137 -3.772 -13.432 1.879 1064 HE2 TYR 137 HE1 TYR 137 -6.575 -14.934 4.718 1065 HH TYR 137 HH TYR 137 -4.521 -16.016 3.979 1066 H LEU 138 HN LEU 138 -10.909 -12.504 1.307 1067 HA LEU 138 HA LEU 138 -10.408 -15.217 1.879 1068 HB2 LEU 138 2HB LEU 138 -12.990 -13.626 1.544 1069 HB3 LEU 138 1HB LEU 138 -12.943 -15.292 2.101 1070 HG LEU 138 HG LEU 138 -11.629 -14.587 4.118 1071 HD11 LEU 138 1HD1 LEU 138 -11.394 -12.242 4.761 1072 HD12 LEU 138 2HD1 LEU 138 -12.077 -11.716 3.222 1073 HD13 LEU 138 3HD1 LEU 138 -10.518 -12.547 3.258 1074 HD21 LEU 138 3HD2 LEU 138 -14.210 -13.034 3.802 1075 HD22 LEU 138 1HD2 LEU 138 -13.428 -13.469 5.325 1076 HD23 LEU 138 2HD2 LEU 138 -14.074 -14.734 4.274 1077 H HIS 139 HN HIS 139 -11.359 -13.542 -1.041 1078 HA HIS 139 HA HIS 139 -11.771 -15.998 -2.570 1079 HB2 HIS 139 2HB HIS 139 -13.074 -13.899 -3.025 1080 HB3 HIS 139 1HB HIS 139 -11.582 -13.126 -3.553 1081 HD1 HIS 139 HD1 HIS 139 -11.158 -13.288 -6.004 1082 HD2 HIS 139 HD2 HIS 139 -13.671 -16.305 -4.679 1083 HE1 HIS 139 HE1 HIS 139 -11.835 -14.545 -8.061 1084 HE2 HIS 139 HE2 HIS 139 -13.538 -16.206 -7.254 1085 H LEU 140 HN LEU 140 -9.174 -13.648 -2.031 1086 HA LEU 140 HA LEU 140 -7.527 -14.308 -4.285 1087 HB2 LEU 140 2HB LEU 140 -6.920 -12.850 -1.683 1088 HB3 LEU 140 1HB LEU 140 -5.689 -13.110 -2.907 1089 HG LEU 140 HG LEU 140 -8.245 -11.521 -3.351 1090 HD11 LEU 140 1HD1 LEU 140 -5.426 -10.498 -2.879 1091 HD12 LEU 140 2HD1 LEU 140 -6.787 -10.375 -1.760 1092 HD13 LEU 140 3HD1 LEU 140 -6.838 -9.517 -3.296 1093 HD21 LEU 140 3HD2 LEU 140 -5.818 -11.860 -5.138 1094 HD22 LEU 140 1HD2 LEU 140 -7.188 -10.789 -5.444 1095 HD23 LEU 140 2HD2 LEU 140 -7.427 -12.530 -5.414 1096 H PHE 141 HN PHE 141 -7.302 -15.092 -0.832 1097 HA PHE 141 HA PHE 141 -5.161 -16.952 -1.018 1098 HB2 PHE 141 2HB PHE 141 -5.770 -15.804 1.095 1099 HB3 PHE 141 1HB PHE 141 -7.324 -16.623 1.113 1100 HD1 PHE 141 HD1 PHE 141 -3.650 -17.170 1.391 1101 HD2 PHE 141 HD2 PHE 141 -7.526 -18.842 2.073 1102 HE1 PHE 141 HE1 PHE 141 -2.638 -19.010 2.660 1103 HE2 PHE 141 HE2 PHE 141 -6.504 -20.683 3.344 1104 HZ PHE 141 HZ PHE 141 -4.060 -20.766 3.636 1105 H ASN 142 HN ASN 142 -8.706 -17.299 -0.997 1106 HA ASN 142 HA ASN 142 -8.507 -20.212 -1.378 1107 HB2 ASN 142 2HB ASN 142 -10.140 -19.375 0.304 1108 HB3 ASN 142 1HB ASN 142 -10.970 -18.465 -0.943 1109 HD21 ASN 142 1HD2 ASN 142 -12.281 -19.585 -2.442 1110 HD22 ASN 142 2HD2 ASN 142 -12.769 -21.220 -2.181 1111 H LYS 143 HN LYS 143 -7.488 -19.818 -3.489 1112 HA LYS 143 HA LYS 143 -9.346 -19.213 -5.665 1113 HB2 LYS 143 2HB LYS 143 -7.366 -19.757 -7.146 1114 HB3 LYS 143 1HB LYS 143 -7.157 -18.381 -6.075 1115 HG2 LYS 143 2HG LYS 143 -5.735 -19.702 -4.577 1116 HG3 LYS 143 1HG LYS 143 -6.006 -21.148 -5.555 1117 HD2 LYS 143 2HD LYS 143 -4.600 -18.611 -6.491 1118 HD3 LYS 143 1HD LYS 143 -3.799 -20.116 -6.034 1119 HE2 LYS 143 2HE LYS 143 -4.857 -21.286 -7.914 1120 HE3 LYS 143 1HE LYS 143 -5.775 -19.840 -8.329 1121 HZ1 LYS 143 3HZ LYS 143 -2.825 -20.042 -8.395 1122 HZ2 LYS 143 1HZ LYS 143 -3.758 -18.721 -8.886 1123 HZ3 LYS 143 2HZ LYS 143 -3.843 -20.180 -9.734 1124 H LEU 144 HN LEU 144 -10.757 -20.854 -4.787 1125 HA LEU 144 HA LEU 144 -10.189 -23.618 -4.714 1126 HB2 LEU 144 2HB LEU 144 -12.144 -22.299 -3.626 1127 HB3 LEU 144 1HB LEU 144 -12.945 -22.366 -5.179 1128 HG LEU 144 HG LEU 144 -13.767 -24.044 -3.507 1129 HD11 LEU 144 1HD1 LEU 144 -12.610 -25.356 -5.970 1130 HD12 LEU 144 2HD1 LEU 144 -14.137 -24.478 -5.874 1131 HD13 LEU 144 3HD1 LEU 144 -13.925 -25.965 -4.960 1132 HD21 LEU 144 3HD2 LEU 144 -11.661 -24.527 -2.367 1133 HD22 LEU 144 1HD2 LEU 144 -11.042 -25.346 -3.803 1134 HD23 LEU 144 2HD2 LEU 144 -12.425 -26.010 -2.929 1135 H GLU 145 HN GLU 145 -10.021 -25.068 -6.337 1136 HA GLU 145 HA GLU 145 -9.859 -24.332 -9.058 1137 HB2 GLU 145 2HB GLU 145 -10.109 -27.117 -7.828 1138 HB3 GLU 145 1HB GLU 145 -9.570 -26.766 -9.471 1139 HG2 GLU 145 2HG GLU 145 -7.566 -25.705 -8.690 1140 HG3 GLU 145 1HG GLU 145 -8.126 -25.723 -7.016 1141 H HIS 146 HN HIS 146 -11.686 -23.516 -9.971 1142 HA HIS 146 HA HIS 146 -14.328 -24.353 -9.340 1143 HB2 HIS 146 2HB HIS 146 -15.073 -22.758 -11.070 1144 HB3 HIS 146 1HB HIS 146 -13.861 -22.035 -10.020 1145 HD1 HIS 146 HD1 HIS 146 -14.601 -22.792 -13.545 1146 HD2 HIS 146 HD2 HIS 146 -11.297 -21.668 -11.297 1147 HE1 HIS 146 HE1 HIS 146 -12.886 -22.024 -15.209 1148 HE2 HIS 146 HE2 HIS 146 -10.966 -21.185 -13.810 1149 H HIS 147 HN HIS 147 -15.170 -26.222 -9.915 1150 HA HIS 147 HA HIS 147 -15.320 -27.088 -12.657 1151 HB2 HIS 147 2HB HIS 147 -13.102 -28.017 -12.069 1152 HB3 HIS 147 1HB HIS 147 -13.780 -28.804 -10.647 1153 HD1 HIS 147 HD1 HIS 147 -15.043 -30.999 -10.999 1154 HD2 HIS 147 HD2 HIS 147 -13.721 -29.282 -14.547 1155 HE1 HIS 147 HE1 HIS 147 -15.327 -32.773 -12.757 1156 HE2 HIS 147 HE2 HIS 147 -14.530 -31.712 -14.899 Start of MODEL 9 1 H1 MET 1 1H MET 1 -28.988 16.467 10.060 2 H2 MET 1 2H MET 1 -29.080 15.169 11.141 3 H3 MET 1 3H MET 1 -28.861 14.878 9.493 4 HA MET 1 HA MET 1 -26.715 15.902 9.524 5 HB2 MET 1 2HB MET 1 -27.225 16.226 12.511 6 HB3 MET 1 1HB MET 1 -25.669 16.494 11.733 7 HG2 MET 1 2HG MET 1 -26.666 18.621 12.117 8 HG3 MET 1 1HG MET 1 -26.744 18.320 10.380 9 HE1 MET 1 3HE MET 1 -28.569 20.314 10.146 10 HE2 MET 1 1HE MET 1 -28.445 20.590 11.886 11 HE3 MET 1 2HE MET 1 -30.027 20.392 11.133 12 H ALA 2 HN ALA 2 -24.900 14.537 9.767 13 HA ALA 2 HA ALA 2 -24.926 12.246 11.555 14 HB1 ALA 2 3HB ALA 2 -24.951 11.790 8.542 15 HB2 ALA 2 1HB ALA 2 -26.257 11.376 9.654 16 HB3 ALA 2 2HB ALA 2 -24.704 10.545 9.770 17 H TYR 3 HN TYR 3 -22.867 11.344 11.824 18 HA TYR 3 HA TYR 3 -20.593 12.970 11.101 19 HB2 TYR 3 2HB TYR 3 -20.723 10.270 12.529 20 HB3 TYR 3 1HB TYR 3 -19.266 11.235 12.343 21 HD1 TYR 3 HD1 TYR 3 -22.586 11.103 14.011 22 HD2 TYR 3 HD2 TYR 3 -18.817 13.122 13.829 23 HE1 TYR 3 HE1 TYR 3 -23.093 12.260 16.122 24 HE2 TYR 3 HE2 TYR 3 -19.331 14.269 15.940 25 HH TYR 3 HH TYR 3 -21.832 13.331 17.990 26 H ASN 4 HN ASN 4 -20.493 12.898 8.857 27 HA ASN 4 HA ASN 4 -20.472 10.532 7.261 28 HB2 ASN 4 2HB ASN 4 -19.390 13.318 6.619 29 HB3 ASN 4 1HB ASN 4 -19.650 12.032 5.438 30 HD21 ASN 4 1HD2 ASN 4 -21.166 14.477 7.403 31 HD22 ASN 4 2HD2 ASN 4 -22.746 14.348 6.721 32 H LYS 5 HN LYS 5 -18.505 10.059 5.770 33 HA LYS 5 HA LYS 5 -16.221 9.322 7.252 34 HB2 LYS 5 2HB LYS 5 -16.663 9.535 4.258 35 HB3 LYS 5 1HB LYS 5 -15.159 8.929 4.954 36 HG2 LYS 5 2HG LYS 5 -16.373 7.098 6.050 37 HG3 LYS 5 1HG LYS 5 -17.906 7.709 5.423 38 HD2 LYS 5 2HD LYS 5 -17.229 7.216 3.135 39 HD3 LYS 5 1HD LYS 5 -15.603 6.778 3.658 40 HE2 LYS 5 2HE LYS 5 -16.949 4.780 3.160 41 HE3 LYS 5 1HE LYS 5 -16.518 4.821 4.871 42 HZ1 LYS 5 3HZ LYS 5 -18.714 5.638 5.383 43 HZ2 LYS 5 1HZ LYS 5 -18.844 4.201 4.494 44 HZ3 LYS 5 2HZ LYS 5 -19.125 5.688 3.745 45 H GLU 6 HN GLU 6 -17.048 12.343 5.891 46 HA GLU 6 HA GLU 6 -14.625 13.665 5.584 47 HB2 GLU 6 2HB GLU 6 -16.832 14.689 5.089 48 HB3 GLU 6 1HB GLU 6 -17.180 14.783 6.809 49 HG2 GLU 6 2HG GLU 6 -16.525 16.962 5.993 50 HG3 GLU 6 1HG GLU 6 -15.290 16.361 7.099 51 H GLU 7 HN GLU 7 -16.415 12.988 8.584 52 HA GLU 7 HA GLU 7 -14.859 14.308 10.491 53 HB2 GLU 7 2HB GLU 7 -16.986 13.203 11.056 54 HB3 GLU 7 1HB GLU 7 -16.302 11.628 10.685 55 HG2 GLU 7 2HG GLU 7 -16.456 11.870 13.066 56 HG3 GLU 7 1HG GLU 7 -14.757 11.856 12.611 57 H LYS 8 HN LYS 8 -14.407 11.139 8.997 58 HA LYS 8 HA LYS 8 -12.098 10.378 10.510 59 HB2 LYS 8 2HB LYS 8 -13.644 8.716 9.514 60 HB3 LYS 8 1HB LYS 8 -13.235 9.278 7.900 61 HG2 LYS 8 2HG LYS 8 -12.091 7.194 8.384 62 HG3 LYS 8 1HG LYS 8 -10.913 8.499 8.207 63 HD2 LYS 8 2HD LYS 8 -10.739 8.651 10.693 64 HD3 LYS 8 1HD LYS 8 -11.901 7.325 10.850 65 HE2 LYS 8 2HE LYS 8 -10.317 5.831 9.649 66 HE3 LYS 8 1HE LYS 8 -9.165 7.164 9.528 67 HZ1 LYS 8 3HZ LYS 8 -9.035 7.219 11.933 68 HZ2 LYS 8 1HZ LYS 8 -8.645 5.684 11.345 69 HZ3 LYS 8 2HZ LYS 8 -10.157 5.955 12.052 70 H ILE 9 HN ILE 9 -12.538 11.386 7.094 71 HA ILE 9 HA ILE 9 -9.876 11.098 6.279 72 HB ILE 9 HB ILE 9 -12.123 12.712 4.991 73 HG12 ILE 9 2HG1 ILE 9 -12.698 10.318 5.222 74 HG13 ILE 9 1HG1 ILE 9 -12.463 10.727 3.528 75 HG21 ILE 9 1HG2 ILE 9 -10.865 12.547 2.865 76 HG22 ILE 9 2HG2 ILE 9 -9.515 11.794 3.719 77 HG23 ILE 9 3HG2 ILE 9 -9.972 13.461 4.082 78 HD11 ILE 9 3HD1 ILE 9 -11.525 8.558 4.075 79 HD12 ILE 9 1HD1 ILE 9 -10.488 9.286 5.299 80 HD13 ILE 9 2HD1 ILE 9 -10.249 9.677 3.593 81 H LYS 10 HN LYS 10 -11.675 14.017 7.293 82 HA LYS 10 HA LYS 10 -9.658 15.926 6.867 83 HB2 LYS 10 2HB LYS 10 -12.037 16.478 7.358 84 HB3 LYS 10 1HB LYS 10 -11.820 15.924 9.012 85 HG2 LYS 10 2HG LYS 10 -11.758 18.349 8.951 86 HG3 LYS 10 1HG LYS 10 -10.170 17.722 9.409 87 HD2 LYS 10 2HD LYS 10 -9.416 18.050 7.027 88 HD3 LYS 10 1HD LYS 10 -10.981 18.786 6.666 89 HE2 LYS 10 2HE LYS 10 -10.502 20.569 8.323 90 HE3 LYS 10 1HE LYS 10 -8.934 19.827 8.662 91 HZ1 LYS 10 3HZ LYS 10 -8.672 21.623 7.129 92 HZ2 LYS 10 1HZ LYS 10 -9.827 20.976 6.079 93 HZ3 LYS 10 2HZ LYS 10 -8.358 20.175 6.314 94 H SER 11 HN SER 11 -10.096 13.597 9.429 95 HA SER 11 HA SER 11 -7.837 14.683 11.011 96 HB2 SER 11 2HB SER 11 -10.033 14.461 12.170 97 HB3 SER 11 1HB SER 11 -10.049 12.737 11.818 98 HG SER 11 HG SER 11 -7.749 13.552 13.065 99 H LEU 12 HN LEU 12 -7.910 12.748 8.515 100 HA LEU 12 HA LEU 12 -6.289 10.521 9.647 101 HB2 LEU 12 2HB LEU 12 -8.401 9.525 9.133 102 HB3 LEU 12 1HB LEU 12 -8.598 10.471 7.671 103 HG LEU 12 HG LEU 12 -6.802 9.113 6.588 104 HD11 LEU 12 1HD1 LEU 12 -6.893 7.401 9.071 105 HD12 LEU 12 2HD1 LEU 12 -5.551 8.430 8.550 106 HD13 LEU 12 3HD1 LEU 12 -6.034 7.052 7.566 107 HD21 LEU 12 3HD2 LEU 12 -9.118 7.475 7.649 108 HD22 LEU 12 1HD2 LEU 12 -8.135 7.100 6.232 109 HD23 LEU 12 2HD2 LEU 12 -9.150 8.540 6.243 110 H ASN 13 HN ASN 13 -7.218 12.130 6.650 111 HA ASN 13 HA ASN 13 -5.459 10.747 4.966 112 HB2 ASN 13 2HB ASN 13 -7.701 12.186 4.567 113 HB3 ASN 13 1HB ASN 13 -6.558 13.449 4.149 114 HD21 ASN 13 1HD2 ASN 13 -7.819 10.341 3.344 115 HD22 ASN 13 2HD2 ASN 13 -7.245 10.295 1.715 116 H ARG 14 HN ARG 14 -4.938 13.537 6.878 117 HA ARG 14 HA ARG 14 -3.240 15.126 5.284 118 HB2 ARG 14 2HB ARG 14 -4.545 15.593 7.562 119 HB3 ARG 14 1HB ARG 14 -3.044 15.094 8.311 120 HG2 ARG 14 2HG ARG 14 -3.454 17.460 6.453 121 HG3 ARG 14 1HG ARG 14 -3.220 17.522 8.196 122 HD2 ARG 14 2HD ARG 14 -1.192 16.853 6.047 123 HD3 ARG 14 1HD ARG 14 -1.149 18.184 7.201 124 HE ARG 14 HE ARG 14 -0.029 15.621 7.512 125 HH11 ARG 14 1HH1 ARG 14 -1.786 17.939 9.517 126 HH12 ARG 14 2HH1 ARG 14 -1.075 17.351 10.984 127 HH21 ARG 14 1HH2 ARG 14 0.865 14.910 9.428 128 HH22 ARG 14 2HH2 ARG 14 0.406 15.639 10.929 129 H MET 15 HN MET 15 -2.570 12.644 7.768 130 HA MET 15 HA MET 15 0.266 12.948 7.807 131 HB2 MET 15 2HB MET 15 -1.464 10.593 8.694 132 HB3 MET 15 1HB MET 15 0.269 10.705 8.982 133 HG2 MET 15 2HG MET 15 -0.107 12.770 10.303 134 HG3 MET 15 1HG MET 15 -1.848 12.563 10.065 135 HE1 MET 15 3HE MET 15 -1.311 11.596 13.858 136 HE2 MET 15 1HE MET 15 -2.217 12.623 12.753 137 HE3 MET 15 2HE MET 15 -0.479 12.853 12.949 138 H GLN 16 HN GLN 16 -1.839 10.509 6.273 139 HA GLN 16 HA GLN 16 0.176 8.912 5.086 140 HB2 GLN 16 2HB GLN 16 -2.673 9.324 4.109 141 HB3 GLN 16 1HB GLN 16 -1.640 7.941 3.746 142 HG2 GLN 16 2HG GLN 16 -1.770 7.148 6.007 143 HG3 GLN 16 1HG GLN 16 -2.535 8.648 6.551 144 HE21 GLN 16 1HE2 GLN 16 -3.050 5.630 4.856 145 HE22 GLN 16 2HE2 GLN 16 -4.760 5.748 4.766 146 H TYR 17 HN TYR 17 -1.787 11.522 3.804 147 HA TYR 17 HA TYR 17 -0.751 11.781 1.208 148 HB2 TYR 17 2HB TYR 17 -2.744 13.010 1.973 149 HB3 TYR 17 1HB TYR 17 -1.755 13.999 3.039 150 HD1 TYR 17 HD1 TYR 17 -2.450 13.249 -0.572 151 HD2 TYR 17 HD2 TYR 17 -0.668 15.976 2.202 152 HE1 TYR 17 HE1 TYR 17 -2.141 14.903 -2.369 153 HE2 TYR 17 HE2 TYR 17 -0.369 17.612 0.407 154 HH TYR 17 HH TYR 17 -1.900 17.408 -2.550 155 H GLU 18 HN GLU 18 0.275 13.473 4.155 156 HA GLU 18 HA GLU 18 2.435 14.987 3.165 157 HB2 GLU 18 2HB GLU 18 1.358 15.451 5.293 158 HB3 GLU 18 1HB GLU 18 1.785 13.870 5.925 159 HG2 GLU 18 2HG GLU 18 4.131 14.511 6.039 160 HG3 GLU 18 1HG GLU 18 3.771 16.073 5.292 161 H VAL 19 HN VAL 19 2.190 11.690 4.194 162 HA VAL 19 HA VAL 19 4.991 11.092 4.425 163 HB VAL 19 HB VAL 19 2.481 9.359 4.454 164 HG11 VAL 19 1HG1 VAL 19 3.898 7.408 5.034 165 HG12 VAL 19 2HG1 VAL 19 5.333 8.373 4.689 166 HG13 VAL 19 3HG1 VAL 19 4.204 7.978 3.392 167 HG21 VAL 19 3HG2 VAL 19 3.086 8.946 6.796 168 HG22 VAL 19 1HG2 VAL 19 2.965 10.675 6.489 169 HG23 VAL 19 2HG2 VAL 19 4.553 9.915 6.618 170 H THR 20 HN THR 20 2.476 9.939 2.105 171 HA THR 20 HA THR 20 4.214 8.711 0.314 172 HB THR 20 HB THR 20 1.729 8.328 0.439 173 HG1 THR 20 HG1 THR 20 1.933 8.665 -2.227 174 HG21 THR 20 3HG2 THR 20 0.225 9.696 -0.957 175 HG22 THR 20 1HG2 THR 20 1.547 10.810 -1.319 176 HG23 THR 20 2HG2 THR 20 0.929 10.675 0.330 177 H GLN 21 HN GLN 21 3.488 12.121 0.583 178 HA GLN 21 HA GLN 21 4.211 12.924 -2.085 179 HB2 GLN 21 2HB GLN 21 4.135 14.505 0.510 180 HB3 GLN 21 1HB GLN 21 4.509 15.231 -1.045 181 HG2 GLN 21 2HG GLN 21 1.892 13.933 -0.266 182 HG3 GLN 21 1HG GLN 21 2.195 15.656 -0.444 183 HE21 GLN 21 1HE2 GLN 21 2.551 16.499 -2.551 184 HE22 GLN 21 2HE2 GLN 21 1.962 15.668 -3.953 185 H ASN 22 HN ASN 22 6.001 12.277 0.823 186 HA ASN 22 HA ASN 22 8.559 13.228 -0.318 187 HB2 ASN 22 2HB ASN 22 7.970 14.152 1.906 188 HB3 ASN 22 1HB ASN 22 7.745 12.536 2.554 189 HD21 ASN 22 1HD2 ASN 22 9.610 11.248 2.956 190 HD22 ASN 22 2HD2 ASN 22 11.179 11.944 3.106 191 H ASN 23 HN ASN 23 6.691 10.442 0.181 192 HA ASN 23 HA ASN 23 6.926 8.290 0.785 193 HB2 ASN 23 2HB ASN 23 8.162 8.212 -1.418 194 HB3 ASN 23 1HB ASN 23 9.670 8.432 -0.548 195 HD21 ASN 23 1HD2 ASN 23 6.935 6.388 0.497 196 HD22 ASN 23 2HD2 ASN 23 7.785 4.893 0.355 197 H GLY 24 HN GLY 24 7.107 9.730 2.821 198 HA2 GLY 24 2HA GLY 24 9.519 9.415 4.414 199 HA3 GLY 24 1HA GLY 24 8.014 10.189 4.900 200 H THR 25 HN THR 25 9.325 8.505 6.604 201 HA THR 25 HA THR 25 7.505 6.164 6.726 202 HB THR 25 HB THR 25 9.727 5.287 6.345 203 HG1 THR 25 HG1 THR 25 10.051 4.389 8.675 204 HG21 THR 25 3HG2 THR 25 11.655 5.729 7.803 205 HG22 THR 25 1HG2 THR 25 10.712 6.903 8.726 206 HG23 THR 25 2HG2 THR 25 11.103 7.218 7.032 207 H GLU 26 HN GLU 26 6.128 6.273 8.357 208 HA GLU 26 HA GLU 26 6.937 7.504 10.923 209 HB2 GLU 26 2HB GLU 26 4.109 7.462 9.752 210 HB3 GLU 26 1HB GLU 26 4.568 8.115 11.320 211 HG2 GLU 26 2HG GLU 26 5.503 9.211 8.651 212 HG3 GLU 26 1HG GLU 26 4.131 9.837 9.562 213 HA PRO 27 HA PRO 27 6.694 2.940 10.925 214 HB2 PRO 27 2HB PRO 27 7.979 3.253 13.632 215 HB3 PRO 27 1HB PRO 27 8.483 2.265 12.248 216 HG2 PRO 27 2HG PRO 27 9.792 4.507 12.835 217 HG3 PRO 27 1HG PRO 27 9.456 4.089 11.141 218 HD2 PRO 27 2HD PRO 27 8.002 6.054 12.923 219 HD3 PRO 27 1HD PRO 27 8.533 6.244 11.233 220 HA PRO 28 HA PRO 28 2.899 2.393 13.496 221 HB2 PRO 28 2HB PRO 28 3.429 -0.465 12.703 222 HB3 PRO 28 1HB PRO 28 1.927 0.464 12.612 223 HG2 PRO 28 2HG PRO 28 3.356 -0.064 10.402 224 HG3 PRO 28 1HG PRO 28 2.531 1.496 10.603 225 HD2 PRO 28 2HD PRO 28 5.454 0.842 10.904 226 HD3 PRO 28 1HD PRO 28 4.682 2.297 10.235 227 H PHE 29 HN PHE 29 3.848 2.858 15.479 228 HA PHE 29 HA PHE 29 6.021 1.564 16.697 229 HB2 PHE 29 2HB PHE 29 3.799 3.176 18.025 230 HB3 PHE 29 1HB PHE 29 5.373 2.835 18.735 231 HD1 PHE 29 HD1 PHE 29 7.465 3.746 17.488 232 HD2 PHE 29 HD2 PHE 29 3.496 5.134 16.688 233 HE1 PHE 29 HE1 PHE 29 8.378 5.784 16.460 234 HE2 PHE 29 HE2 PHE 29 4.422 7.170 15.661 235 HZ PHE 29 HZ PHE 29 6.863 7.501 15.546 236 H GLN 30 HN GLN 30 2.719 0.653 16.549 237 HA GLN 30 HA GLN 30 2.403 -1.029 18.759 238 HB2 GLN 30 2HB GLN 30 0.596 -2.067 17.425 239 HB3 GLN 30 1HB GLN 30 0.561 -0.311 17.361 240 HG2 GLN 30 2HG GLN 30 1.743 -0.473 15.109 241 HG3 GLN 30 1HG GLN 30 1.454 -2.210 15.168 242 HE21 GLN 30 1HE2 GLN 30 -1.247 -1.752 16.472 243 HE22 GLN 30 2HE2 GLN 30 -2.265 -1.232 15.183 244 H ASN 31 HN ASN 31 4.085 -1.607 15.729 245 HA ASN 31 HA ASN 31 4.862 -4.344 16.561 246 HB2 ASN 31 2HB ASN 31 4.754 -3.013 13.813 247 HB3 ASN 31 1HB ASN 31 5.663 -4.494 14.085 248 HD21 ASN 31 1HD2 ASN 31 4.571 -6.439 14.220 249 HD22 ASN 31 2HD2 ASN 31 2.863 -6.585 13.989 250 H GLU 32 HN GLU 32 6.992 -4.857 16.762 251 HA GLU 32 HA GLU 32 9.002 -2.745 16.877 252 HB2 GLU 32 2HB GLU 32 9.256 -5.742 17.443 253 HB3 GLU 32 1HB GLU 32 10.533 -4.553 17.691 254 HG2 GLU 32 2HG GLU 32 9.591 -5.036 19.817 255 HG3 GLU 32 1HG GLU 32 9.075 -3.411 19.374 256 H TYR 33 HN TYR 33 8.214 -5.612 14.982 257 HA TYR 33 HA TYR 33 10.609 -5.471 13.329 258 HB2 TYR 33 2HB TYR 33 8.192 -7.300 13.041 259 HB3 TYR 33 1HB TYR 33 9.756 -7.503 12.263 260 HD1 TYR 33 HD2 TYR 33 11.724 -8.280 13.590 261 HD2 TYR 33 HD1 TYR 33 7.855 -7.980 15.367 262 HE1 TYR 33 HE2 TYR 33 12.478 -9.668 15.468 263 HE2 TYR 33 HE1 TYR 33 8.612 -9.368 17.245 264 HH TYR 33 HH TYR 33 10.326 -11.004 17.757 265 H TRP 34 HN TRP 34 7.356 -4.296 13.264 266 HA TRP 34 HA TRP 34 5.927 -3.380 11.758 267 HB2 TRP 34 2HB TRP 34 8.514 -2.582 10.329 268 HB3 TRP 34 1HB TRP 34 6.920 -1.852 10.057 269 HD1 TRP 34 HD1 TRP 34 5.772 -0.790 12.429 270 HE1 TRP 34 HE1 TRP 34 6.909 0.563 14.285 271 HE3 TRP 34 HE3 TRP 34 10.633 -2.027 11.475 272 HZ2 TRP 34 HZ2 TRP 34 9.509 1.060 15.228 273 HZ3 TRP 34 HZ3 TRP 34 12.395 -1.068 12.908 274 HH2 TRP 34 HH2 TRP 34 11.842 0.448 14.750 275 H ASP 35 HN ASP 35 6.209 -5.974 11.630 276 HA ASP 35 HA ASP 35 6.574 -6.925 8.890 277 HB2 ASP 35 2HB ASP 35 6.603 -9.158 9.915 278 HB3 ASP 35 1HB ASP 35 7.734 -8.095 10.744 279 H HIS 36 HN HIS 36 4.135 -6.827 11.512 280 HA HIS 36 HA HIS 36 1.913 -7.258 11.645 281 HB2 HIS 36 2HB HIS 36 1.902 -6.252 8.760 282 HB3 HIS 36 1HB HIS 36 0.479 -6.391 9.785 283 HD1 HIS 36 HD1 HIS 36 0.293 -4.683 11.780 284 HD2 HIS 36 HD2 HIS 36 3.410 -3.931 9.135 285 HE1 HIS 36 HE1 HIS 36 0.982 -2.310 12.224 286 HE2 HIS 36 HE2 HIS 36 2.734 -1.819 10.484 287 H LYS 37 HN LYS 37 3.520 -9.555 10.950 288 HA LYS 37 HA LYS 37 2.902 -10.618 8.383 289 HB2 LYS 37 2HB LYS 37 5.092 -10.848 9.547 290 HB3 LYS 37 1HB LYS 37 4.353 -11.949 10.700 291 HG2 LYS 37 2HG LYS 37 3.991 -13.615 8.988 292 HG3 LYS 37 1HG LYS 37 4.476 -12.486 7.725 293 HD2 LYS 37 2HD LYS 37 6.270 -14.102 8.197 294 HD3 LYS 37 1HD LYS 37 6.776 -12.455 8.583 295 HE2 LYS 37 2HE LYS 37 6.273 -12.923 10.999 296 HE3 LYS 37 1HE LYS 37 5.910 -14.597 10.570 297 HZ1 LYS 37 3HZ LYS 37 8.160 -14.289 11.419 298 HZ2 LYS 37 1HZ LYS 37 8.516 -13.238 10.141 299 HZ3 LYS 37 2HZ LYS 37 8.177 -14.867 9.830 300 H GLU 38 HN GLU 38 1.162 -10.918 11.284 301 HA GLU 38 HA GLU 38 -0.163 -13.350 11.086 302 HB2 GLU 38 2HB GLU 38 -0.598 -11.817 12.934 303 HB3 GLU 38 1HB GLU 38 -1.231 -10.596 11.840 304 HG2 GLU 38 2HG GLU 38 -3.009 -11.729 13.126 305 HG3 GLU 38 1HG GLU 38 -3.201 -11.909 11.384 306 H GLU 39 HN GLU 39 -1.612 -14.222 9.681 307 HA GLU 39 HA GLU 39 -1.782 -13.484 7.037 308 HB2 GLU 39 2HB GLU 39 -3.794 -15.113 8.638 309 HB3 GLU 39 1HB GLU 39 -3.746 -15.041 6.880 310 HG2 GLU 39 2HG GLU 39 -1.492 -16.059 6.900 311 HG3 GLU 39 1HG GLU 39 -1.550 -16.143 8.664 312 H GLY 40 HN GLY 40 -2.683 -11.790 6.108 313 HA2 GLY 40 2HA GLY 40 -5.248 -10.773 6.364 314 HA3 GLY 40 1HA GLY 40 -4.260 -9.894 7.532 315 H LEU 41 HN LEU 41 -4.714 -7.996 6.312 316 HA LEU 41 HA LEU 41 -3.252 -7.764 3.737 317 HB2 LEU 41 2HB LEU 41 -6.051 -6.843 4.441 318 HB3 LEU 41 1HB LEU 41 -5.155 -6.068 3.136 319 HG LEU 41 HG LEU 41 -5.738 -9.054 3.233 320 HD11 LEU 41 1HD1 LEU 41 -7.234 -6.884 1.744 321 HD12 LEU 41 2HD1 LEU 41 -7.851 -7.904 3.048 322 HD13 LEU 41 3HD1 LEU 41 -7.432 -8.632 1.503 323 HD21 LEU 41 3HD2 LEU 41 -4.723 -7.295 0.973 324 HD22 LEU 41 1HD2 LEU 41 -5.084 -9.027 0.872 325 HD23 LEU 41 2HD2 LEU 41 -3.767 -8.460 1.890 326 H TYR 42 HN TYR 42 -2.465 -5.833 3.162 327 HA TYR 42 HA TYR 42 -2.289 -3.586 5.061 328 HB2 TYR 42 2HB TYR 42 -0.771 -4.177 2.469 329 HB3 TYR 42 1HB TYR 42 -0.600 -2.687 3.396 330 HD1 TYR 42 HD1 TYR 42 -0.099 -3.181 6.033 331 HD2 TYR 42 HD2 TYR 42 0.955 -5.724 2.760 332 HE1 TYR 42 HE1 TYR 42 1.733 -4.128 7.359 333 HE2 TYR 42 HE2 TYR 42 2.786 -6.671 4.095 334 HH TYR 42 HH TYR 42 3.033 -6.512 7.249 335 H VAL 43 HN VAL 43 -3.887 -2.117 4.721 336 HA VAL 43 HA VAL 43 -4.891 -1.663 1.963 337 HB VAL 43 HB VAL 43 -7.181 -1.428 2.776 338 HG11 VAL 43 1HG1 VAL 43 -6.450 -3.705 2.129 339 HG12 VAL 43 2HG1 VAL 43 -7.681 -3.772 3.394 340 HG13 VAL 43 3HG1 VAL 43 -5.985 -4.038 3.804 341 HG21 VAL 43 3HG2 VAL 43 -7.822 -1.920 5.132 342 HG22 VAL 43 1HG2 VAL 43 -6.766 -0.511 5.020 343 HG23 VAL 43 2HG2 VAL 43 -6.115 -2.061 5.558 344 H ASP 44 HN ASP 44 -5.559 0.493 1.505 345 HA ASP 44 HA ASP 44 -4.169 2.514 3.052 346 HB2 ASP 44 2HB ASP 44 -4.369 2.484 0.460 347 HB3 ASP 44 1HB ASP 44 -6.017 3.052 0.677 348 H ILE 45 HN ILE 45 -5.063 3.135 4.827 349 HA ILE 45 HA ILE 45 -7.435 2.553 5.983 350 HB ILE 45 HB ILE 45 -6.146 5.264 6.525 351 HG12 ILE 45 2HG1 ILE 45 -5.219 2.577 7.632 352 HG13 ILE 45 1HG1 ILE 45 -4.384 3.474 6.372 353 HG21 ILE 45 1HG2 ILE 45 -6.848 4.855 8.866 354 HG22 ILE 45 2HG2 ILE 45 -7.570 3.318 8.384 355 HG23 ILE 45 3HG2 ILE 45 -8.229 4.835 7.766 356 HD11 ILE 45 3HD1 ILE 45 -3.292 3.758 8.491 357 HD12 ILE 45 1HD1 ILE 45 -4.779 4.356 9.229 358 HD13 ILE 45 2HD1 ILE 45 -3.976 5.296 7.970 359 H VAL 46 HN VAL 46 -6.976 5.121 3.708 360 HA VAL 46 HA VAL 46 -9.289 6.725 4.248 361 HB VAL 46 HB VAL 46 -8.628 7.912 2.181 362 HG11 VAL 46 1HG1 VAL 46 -6.318 8.512 2.841 363 HG12 VAL 46 2HG1 VAL 46 -6.222 7.076 3.856 364 HG13 VAL 46 3HG1 VAL 46 -7.358 8.365 4.261 365 HG21 VAL 46 3HG2 VAL 46 -8.081 6.016 0.721 366 HG22 VAL 46 1HG2 VAL 46 -6.722 5.543 1.747 367 HG23 VAL 46 2HG2 VAL 46 -6.664 7.060 0.832 368 H SER 47 HN SER 47 -8.685 3.985 2.185 369 HA SER 47 HA SER 47 -11.053 4.482 0.499 370 HB2 SER 47 2HB SER 47 -8.712 4.393 -0.522 371 HB3 SER 47 1HB SER 47 -8.651 2.686 -0.082 372 HG SER 47 HG SER 47 -9.373 2.792 -2.149 373 H GLY 48 HN GLY 48 -9.360 2.185 2.505 374 HA2 GLY 48 2HA GLY 48 -9.866 0.144 3.393 375 HA3 GLY 48 1HA GLY 48 -11.555 0.452 2.994 376 H LYS 49 HN LYS 49 -8.720 0.230 0.844 377 HA LYS 49 HA LYS 49 -10.029 -2.025 -0.598 378 HB2 LYS 49 2HB LYS 49 -8.200 0.172 -1.649 379 HB3 LYS 49 1HB LYS 49 -8.669 -1.240 -2.592 380 HG2 LYS 49 2HG LYS 49 -10.548 0.898 -1.524 381 HG3 LYS 49 1HG LYS 49 -9.989 0.725 -3.194 382 HD2 LYS 49 2HD LYS 49 -11.070 -1.615 -3.151 383 HD3 LYS 49 1HD LYS 49 -11.847 -1.114 -1.641 384 HE2 LYS 49 2HE LYS 49 -13.358 -0.776 -3.532 385 HE3 LYS 49 1HE LYS 49 -12.905 0.786 -2.850 386 HZ1 LYS 49 3HZ LYS 49 -12.850 0.740 -5.297 387 HZ2 LYS 49 1HZ LYS 49 -11.639 -0.441 -5.244 388 HZ3 LYS 49 2HZ LYS 49 -11.339 1.102 -4.628 389 HA PRO 50 HA PRO 50 -6.408 -4.513 0.525 390 HB2 PRO 50 2HB PRO 50 -6.682 -6.508 -1.369 391 HB3 PRO 50 1HB PRO 50 -7.662 -6.416 0.098 392 HG2 PRO 50 2HG PRO 50 -8.334 -5.492 -2.694 393 HG3 PRO 50 1HG PRO 50 -9.338 -6.420 -1.558 394 HD2 PRO 50 2HD PRO 50 -9.682 -3.765 -1.883 395 HD3 PRO 50 1HD PRO 50 -9.872 -4.524 -0.285 396 H LEU 51 HN LEU 51 -4.364 -3.941 0.032 397 HA LEU 51 HA LEU 51 -3.692 -2.958 -2.687 398 HB2 LEU 51 2HB LEU 51 -2.224 -2.515 -0.059 399 HB3 LEU 51 1HB LEU 51 -1.894 -1.715 -1.597 400 HG LEU 51 HG LEU 51 -4.375 -1.385 0.130 401 HD11 LEU 51 1HD1 LEU 51 -2.487 -0.225 1.064 402 HD12 LEU 51 2HD1 LEU 51 -3.597 0.950 0.365 403 HD13 LEU 51 3HD1 LEU 51 -2.110 0.526 -0.489 404 HD21 LEU 51 3HD2 LEU 51 -3.771 -0.140 -2.579 405 HD22 LEU 51 1HD2 LEU 51 -5.131 0.290 -1.532 406 HD23 LEU 51 2HD2 LEU 51 -5.026 -1.331 -2.223 407 H PHE 52 HN PHE 52 -2.433 -4.860 -0.006 408 HA PHE 52 HA PHE 52 -1.634 -7.036 -1.601 409 HB2 PHE 52 2HB PHE 52 0.294 -5.460 -2.160 410 HB3 PHE 52 1HB PHE 52 0.751 -5.491 -0.457 411 HD1 PHE 52 HD1 PHE 52 -0.014 -7.875 -3.262 412 HD2 PHE 52 HD2 PHE 52 2.386 -7.073 0.180 413 HE1 PHE 52 HE1 PHE 52 1.233 -9.950 -3.638 414 HE2 PHE 52 HE2 PHE 52 3.630 -9.153 -0.216 415 HZ PHE 52 HZ PHE 52 3.049 -10.588 -2.119 416 H THR 53 HN THR 53 -0.663 -8.766 -0.255 417 HA THR 53 HA THR 53 -1.866 -8.684 2.406 418 HB THR 53 HB THR 53 -2.473 -10.545 0.968 419 HG1 THR 53 HG1 THR 53 -2.535 -11.287 2.969 420 HG21 THR 53 3HG2 THR 53 -0.413 -10.715 -0.403 421 HG22 THR 53 1HG2 THR 53 -0.882 -12.273 0.279 422 HG23 THR 53 2HG2 THR 53 0.456 -11.368 0.989 423 H SER 54 HN SER 54 -0.816 -9.116 4.304 424 HA SER 54 HA SER 54 2.047 -8.879 4.492 425 HB2 SER 54 2HB SER 54 0.299 -7.942 6.149 426 HB3 SER 54 1HB SER 54 0.182 -9.589 6.784 427 HG SER 54 HG SER 54 2.538 -9.447 7.029 428 H LYS 55 HN LYS 55 -0.155 -11.444 4.135 429 HA LYS 55 HA LYS 55 1.194 -13.629 5.339 430 HB2 LYS 55 2HB LYS 55 -1.191 -13.667 4.666 431 HB3 LYS 55 1HB LYS 55 -0.730 -13.543 2.972 432 HG2 LYS 55 2HG LYS 55 0.451 -15.769 3.224 433 HG3 LYS 55 1HG LYS 55 -0.257 -15.883 4.841 434 HD2 LYS 55 2HD LYS 55 -2.509 -15.880 3.895 435 HD3 LYS 55 1HD LYS 55 -1.863 -15.610 2.269 436 HE2 LYS 55 2HE LYS 55 -2.493 -17.960 2.589 437 HE3 LYS 55 1HE LYS 55 -0.752 -17.816 2.347 438 HZ1 LYS 55 3HZ LYS 55 -1.311 -19.364 4.127 439 HZ2 LYS 55 1HZ LYS 55 -2.095 -18.134 4.980 440 HZ3 LYS 55 2HZ LYS 55 -0.425 -18.056 4.717 441 H ASP 56 HN ASP 56 1.777 -11.866 2.404 442 HA ASP 56 HA ASP 56 3.870 -13.789 1.542 443 HB2 ASP 56 2HB ASP 56 1.850 -13.553 -0.017 444 HB3 ASP 56 1HB ASP 56 2.321 -11.883 -0.281 445 H LYS 57 HN LYS 57 4.213 -11.806 3.545 446 HA LYS 57 HA LYS 57 6.321 -10.197 2.187 447 HB2 LYS 57 2HB LYS 57 5.833 -8.219 3.290 448 HB3 LYS 57 1HB LYS 57 4.232 -8.853 3.007 449 HG2 LYS 57 2HG LYS 57 3.939 -8.184 5.168 450 HG3 LYS 57 1HG LYS 57 4.560 -9.794 5.495 451 HD2 LYS 57 2HD LYS 57 5.651 -8.184 6.964 452 HD3 LYS 57 1HD LYS 57 6.833 -8.844 5.837 453 HE2 LYS 57 2HE LYS 57 6.663 -6.797 4.460 454 HE3 LYS 57 1HE LYS 57 5.477 -6.129 5.582 455 HZ1 LYS 57 3HZ LYS 57 7.146 -6.148 7.313 456 HZ2 LYS 57 1HZ LYS 57 7.700 -5.268 5.980 457 HZ3 LYS 57 2HZ LYS 57 8.281 -6.830 6.258 458 H PHE 58 HN PHE 58 8.230 -9.879 3.283 459 HA PHE 58 HA PHE 58 8.706 -11.454 5.760 460 HB2 PHE 58 2HB PHE 58 10.661 -10.840 3.483 461 HB3 PHE 58 1HB PHE 58 11.078 -11.690 4.968 462 HD1 PHE 58 HD1 PHE 58 10.099 -13.976 5.413 463 HD2 PHE 58 HD2 PHE 58 9.595 -12.001 1.653 464 HE1 PHE 58 HE1 PHE 58 9.463 -16.113 4.370 465 HE2 PHE 58 HE2 PHE 58 8.956 -14.139 0.620 466 HZ PHE 58 HZ PHE 58 8.891 -16.197 1.973 467 H ASP 59 HN ASP 59 10.807 -10.527 6.866 468 HA ASP 59 HA ASP 59 10.268 -7.981 7.868 469 HB2 ASP 59 2HB ASP 59 12.546 -8.108 8.903 470 HB3 ASP 59 1HB ASP 59 11.585 -9.555 9.158 471 H SER 60 HN SER 60 10.549 -6.009 7.065 472 HA SER 60 HA SER 60 11.897 -5.694 4.481 473 HB2 SER 60 2HB SER 60 10.590 -3.456 4.513 474 HB3 SER 60 1HB SER 60 9.648 -4.944 4.396 475 HG SER 60 HG SER 60 9.869 -3.132 6.514 476 H GLN 61 HN GLN 61 13.987 -5.313 4.746 477 HA GLN 61 HA GLN 61 15.177 -3.877 6.906 478 HB2 GLN 61 2HB GLN 61 17.306 -4.161 5.582 479 HB3 GLN 61 1HB GLN 61 16.434 -5.647 5.912 480 HG2 GLN 61 2HG GLN 61 17.186 -5.879 3.693 481 HG3 GLN 61 1HG GLN 61 15.484 -5.457 3.538 482 HE21 GLN 61 1HE2 GLN 61 15.751 -4.722 1.422 483 HE22 GLN 61 2HE2 GLN 61 16.578 -3.255 1.046 484 H CYS 62 HN CYS 62 13.834 -2.874 3.913 485 HA CYS 62 HA CYS 62 15.198 -0.390 3.555 486 HB2 CYS 62 2HB CYS 62 13.973 -1.486 1.720 487 HB3 CYS 62 1HB CYS 62 12.457 -1.322 2.595 488 HG CYS 62 HG CYS 62 12.326 0.500 0.577 489 H GLY 63 HN GLY 63 12.767 -1.422 5.779 490 HA2 GLY 63 2HA GLY 63 11.892 -0.171 7.586 491 HA3 GLY 63 1HA GLY 63 12.270 1.324 6.733 492 H TRP 64 HN TRP 64 11.120 1.380 4.476 493 HA TRP 64 HA TRP 64 8.283 1.164 4.678 494 HB2 TRP 64 2HB TRP 64 10.048 1.429 2.192 495 HB3 TRP 64 1HB TRP 64 8.305 1.678 2.232 496 HD1 TRP 64 HD1 TRP 64 7.418 3.917 3.500 497 HE1 TRP 64 HE1 TRP 64 8.580 6.146 3.944 498 HE3 TRP 64 HE3 TRP 64 12.265 2.521 2.676 499 HZ2 TRP 64 HZ2 TRP 64 11.187 7.217 3.959 500 HZ3 TRP 64 HZ3 TRP 64 14.038 4.206 2.923 501 HH2 TRP 64 HH2 TRP 64 13.509 6.506 3.552 502 HA PRO 65 HA PRO 65 8.140 -3.333 3.878 503 HB2 PRO 65 2HB PRO 65 5.275 -2.693 3.180 504 HB3 PRO 65 1HB PRO 65 5.911 -3.926 4.280 505 HG2 PRO 65 2HG PRO 65 4.785 -1.712 5.254 506 HG3 PRO 65 1HG PRO 65 6.242 -2.380 6.019 507 HD2 PRO 65 2HD PRO 65 6.002 -0.033 4.138 508 HD3 PRO 65 1HD PRO 65 6.990 -0.199 5.611 509 H SER 66 HN SER 66 9.152 -3.890 2.035 510 HA SER 66 HA SER 66 8.260 -2.854 -0.583 511 HB2 SER 66 2HB SER 66 10.567 -3.493 -1.349 512 HB3 SER 66 1HB SER 66 10.595 -2.325 -0.033 513 HG SER 66 HG SER 66 11.205 -5.080 0.044 514 H PHE 67 HN PHE 67 7.603 -4.261 -2.136 515 HA PHE 67 HA PHE 67 7.413 -7.145 -1.488 516 HB2 PHE 67 2HB PHE 67 5.174 -5.485 -2.735 517 HB3 PHE 67 1HB PHE 67 5.077 -7.151 -2.169 518 HD1 PHE 67 HD2 PHE 67 5.663 -7.448 0.448 519 HD2 PHE 67 HD1 PHE 67 4.299 -3.823 -1.335 520 HE1 PHE 67 HE2 PHE 67 4.853 -6.654 2.627 521 HE2 PHE 67 HE1 PHE 67 3.493 -3.051 0.844 522 HZ PHE 67 HZ PHE 67 3.774 -4.467 2.821 523 H THR 68 HN THR 68 7.052 -8.489 -3.395 524 HA THR 68 HA THR 68 8.542 -7.508 -5.711 525 HB THR 68 HB THR 68 8.658 -9.858 -6.440 526 HG1 THR 68 HG1 THR 68 6.777 -10.781 -5.804 527 HG21 THR 68 3HG2 THR 68 10.350 -9.105 -4.813 528 HG22 THR 68 1HG2 THR 68 9.950 -10.803 -4.551 529 HG23 THR 68 2HG2 THR 68 9.289 -9.565 -3.480 530 H LYS 69 HN LYS 69 5.244 -7.944 -4.832 531 HA LYS 69 HA LYS 69 4.358 -7.194 -7.503 532 HB2 LYS 69 2HB LYS 69 2.671 -9.020 -7.688 533 HB3 LYS 69 1HB LYS 69 4.317 -9.640 -7.711 534 HG2 LYS 69 2HG LYS 69 4.130 -10.399 -5.418 535 HG3 LYS 69 1HG LYS 69 2.541 -9.652 -5.253 536 HD2 LYS 69 2HD LYS 69 1.636 -11.203 -6.960 537 HD3 LYS 69 1HD LYS 69 3.229 -11.953 -7.123 538 HE2 LYS 69 2HE LYS 69 1.594 -11.898 -4.562 539 HE3 LYS 69 1HE LYS 69 1.672 -13.255 -5.680 540 HZ1 LYS 69 3HZ LYS 69 4.082 -13.352 -5.266 541 HZ2 LYS 69 1HZ LYS 69 3.166 -13.621 -3.871 542 HZ3 LYS 69 2HZ LYS 69 3.920 -12.132 -4.109 543 HA PRO 70 HA PRO 70 0.979 -5.438 -4.898 544 HB2 PRO 70 2HB PRO 70 -0.112 -3.834 -6.687 545 HB3 PRO 70 1HB PRO 70 1.601 -3.620 -6.292 546 HG2 PRO 70 2HG PRO 70 0.364 -4.957 -8.701 547 HG3 PRO 70 1HG PRO 70 1.762 -3.862 -8.625 548 HD2 PRO 70 2HD PRO 70 1.858 -6.712 -8.634 549 HD3 PRO 70 1HD PRO 70 3.204 -5.615 -8.254 550 H ILE 71 HN ILE 71 -1.493 -5.121 -5.068 551 HA ILE 71 HA ILE 71 -2.862 -7.357 -6.450 552 HB ILE 71 HB ILE 71 -3.872 -5.309 -4.416 553 HG12 ILE 71 2HG1 ILE 71 -3.599 -8.352 -4.319 554 HG13 ILE 71 1HG1 ILE 71 -2.585 -7.190 -3.467 555 HG21 ILE 71 1HG2 ILE 71 -6.103 -6.376 -4.508 556 HG22 ILE 71 2HG2 ILE 71 -5.573 -7.381 -5.860 557 HG23 ILE 71 3HG2 ILE 71 -5.682 -5.631 -6.056 558 HD11 ILE 71 3HD1 ILE 71 -4.128 -8.191 -1.936 559 HD12 ILE 71 1HD1 ILE 71 -5.501 -7.773 -2.964 560 HD13 ILE 71 2HD1 ILE 71 -4.576 -6.495 -2.158 561 H GLU 72 HN GLU 72 -3.656 -7.032 -8.415 562 HA GLU 72 HA GLU 72 -2.884 -4.764 -9.899 563 HB2 GLU 72 2HB GLU 72 -3.975 -5.913 -11.805 564 HB3 GLU 72 1HB GLU 72 -2.951 -7.007 -10.879 565 HG2 GLU 72 2HG GLU 72 -4.920 -7.963 -9.778 566 HG3 GLU 72 1HG GLU 72 -5.973 -6.825 -10.610 567 H GLU 73 HN GLU 73 -5.880 -5.552 -8.335 568 HA GLU 73 HA GLU 73 -7.658 -4.075 -10.021 569 HB2 GLU 73 2HB GLU 73 -8.022 -5.192 -7.211 570 HB3 GLU 73 1HB GLU 73 -9.321 -4.506 -8.182 571 HG2 GLU 73 2HG GLU 73 -7.700 -6.980 -8.855 572 HG3 GLU 73 1HG GLU 73 -9.348 -6.957 -8.229 573 H GLU 74 HN GLU 74 -6.146 -3.432 -6.837 574 HA GLU 74 HA GLU 74 -7.522 -0.831 -6.681 575 HB2 GLU 74 2HB GLU 74 -6.005 -2.268 -4.474 576 HB3 GLU 74 1HB GLU 74 -7.138 -0.927 -4.308 577 HG2 GLU 74 2HG GLU 74 -7.748 -3.808 -5.021 578 HG3 GLU 74 1HG GLU 74 -8.253 -2.925 -3.583 579 H VAL 75 HN VAL 75 -4.469 -2.099 -7.391 580 HA VAL 75 HA VAL 75 -2.994 0.333 -6.635 581 HB VAL 75 HB VAL 75 -2.011 -2.393 -7.591 582 HG11 VAL 75 1HG1 VAL 75 0.270 -1.576 -7.009 583 HG12 VAL 75 2HG1 VAL 75 -0.395 0.027 -6.706 584 HG13 VAL 75 3HG1 VAL 75 -0.442 -0.650 -8.336 585 HG21 VAL 75 3HG2 VAL 75 -1.875 -1.103 -4.834 586 HG22 VAL 75 1HG2 VAL 75 -1.182 -2.670 -5.278 587 HG23 VAL 75 2HG2 VAL 75 -2.930 -2.443 -5.299 588 H GLU 76 HN GLU 76 -2.168 1.675 -8.132 589 HA GLU 76 HA GLU 76 -2.392 1.053 -11.019 590 HB2 GLU 76 2HB GLU 76 -4.252 2.554 -10.411 591 HB3 GLU 76 1HB GLU 76 -3.147 3.634 -9.574 592 HG2 GLU 76 2HG GLU 76 -3.850 4.570 -11.718 593 HG3 GLU 76 1HG GLU 76 -2.110 4.287 -11.683 594 H GLU 77 HN GLU 77 -0.411 1.203 -11.946 595 HA GLU 77 HA GLU 77 1.786 2.488 -10.496 596 HB2 GLU 77 2HB GLU 77 3.232 1.486 -12.315 597 HB3 GLU 77 1HB GLU 77 2.330 0.309 -11.369 598 HG2 GLU 77 2HG GLU 77 0.733 -0.002 -13.173 599 HG3 GLU 77 1HG GLU 77 1.478 1.296 -14.103 600 H LYS 78 HN LYS 78 2.772 4.328 -11.136 601 HA LYS 78 HA LYS 78 1.792 5.830 -13.485 602 HB2 LYS 78 2HB LYS 78 2.063 6.876 -10.625 603 HB3 LYS 78 1HB LYS 78 1.763 7.898 -12.024 604 HG2 LYS 78 2HG LYS 78 -0.179 5.683 -11.273 605 HG3 LYS 78 1HG LYS 78 -0.224 7.247 -10.466 606 HD2 LYS 78 2HD LYS 78 -1.865 7.330 -12.204 607 HD3 LYS 78 1HD LYS 78 -0.522 8.336 -12.741 608 HE2 LYS 78 2HE LYS 78 0.251 6.463 -14.188 609 HE3 LYS 78 1HE LYS 78 -1.128 5.500 -13.666 610 HZ1 LYS 78 3HZ LYS 78 -1.313 8.096 -15.084 611 HZ2 LYS 78 1HZ LYS 78 -2.595 7.070 -14.692 612 HZ3 LYS 78 2HZ LYS 78 -1.438 6.584 -15.818 613 H LEU 79 HN LEU 79 3.618 5.983 -14.719 614 HA LEU 79 HA LEU 79 6.270 5.978 -13.677 615 HB2 LEU 79 2HB LEU 79 5.654 5.136 -15.958 616 HB3 LEU 79 1HB LEU 79 5.320 6.790 -16.456 617 HG LEU 79 HG LEU 79 7.743 7.354 -15.963 618 HD11 LEU 79 1HD1 LEU 79 8.236 5.539 -14.386 619 HD12 LEU 79 2HD1 LEU 79 9.379 5.570 -15.721 620 HD13 LEU 79 3HD1 LEU 79 8.095 4.356 -15.697 621 HD21 LEU 79 3HD2 LEU 79 8.657 6.353 -17.990 622 HD22 LEU 79 1HD2 LEU 79 7.008 6.923 -18.255 623 HD23 LEU 79 2HD2 LEU 79 7.320 5.197 -18.046 624 H ASP 80 HN ASP 80 7.545 7.642 -13.106 625 HA ASP 80 HA ASP 80 6.578 10.425 -13.341 626 HB2 ASP 80 2HB ASP 80 6.444 9.716 -11.028 627 HB3 ASP 80 1HB ASP 80 8.032 8.968 -11.097 628 H THR 81 HN THR 81 7.795 11.432 -14.849 629 HA THR 81 HA THR 81 10.727 11.219 -14.820 630 HB THR 81 HB THR 81 10.743 11.133 -17.370 631 HG1 THR 81 HG1 THR 81 8.608 11.698 -17.800 632 HG21 THR 81 3HG2 THR 81 10.359 8.708 -17.589 633 HG22 THR 81 1HG2 THR 81 9.525 8.693 -16.034 634 HG23 THR 81 2HG2 THR 81 11.245 9.081 -16.109 635 H SER 82 HN SER 82 10.441 13.315 -13.781 636 HA SER 82 HA SER 82 9.293 15.537 -15.232 637 HB2 SER 82 2HB SER 82 11.030 15.568 -12.727 638 HB3 SER 82 1HB SER 82 10.019 16.887 -13.315 639 HG SER 82 HG SER 82 8.762 15.919 -11.843 640 H HIS 83 HN HIS 83 12.623 14.809 -14.082 641 HA HIS 83 HA HIS 83 13.933 15.289 -16.538 642 HB2 HIS 83 2HB HIS 83 13.425 17.662 -16.112 643 HB3 HIS 83 1HB HIS 83 14.130 17.564 -14.501 644 HD1 HIS 83 HD1 HIS 83 16.519 18.244 -14.339 645 HD2 HIS 83 HD2 HIS 83 15.476 17.238 -18.241 646 HE1 HIS 83 HE1 HIS 83 18.551 18.748 -15.732 647 HE2 HIS 83 HE2 HIS 83 17.883 18.179 -18.095 648 H GLY 84 HN GLY 84 15.811 14.155 -16.429 649 HA2 GLY 84 2HA GLY 84 18.005 13.825 -15.737 650 HA3 GLY 84 1HA GLY 84 17.639 14.561 -14.194 651 H MET 85 HN MET 85 15.333 12.592 -13.809 652 HA MET 85 HA MET 85 16.745 10.024 -13.481 653 HB2 MET 85 2HB MET 85 15.532 11.648 -11.209 654 HB3 MET 85 1HB MET 85 15.689 9.898 -11.093 655 HG2 MET 85 2HG MET 85 18.029 11.753 -11.572 656 HG3 MET 85 1HG MET 85 17.506 11.214 -9.973 657 HE1 MET 85 3HE MET 85 18.197 7.345 -10.153 658 HE2 MET 85 1HE MET 85 16.671 8.136 -10.519 659 HE3 MET 85 2HE MET 85 17.632 8.683 -9.144 660 H ILE 86 HN ILE 86 15.453 8.283 -13.728 661 HA ILE 86 HA ILE 86 12.601 8.690 -14.345 662 HB ILE 86 HB ILE 86 13.960 7.608 -16.092 663 HG12 ILE 86 2HG1 ILE 86 11.499 6.877 -15.654 664 HG13 ILE 86 1HG1 ILE 86 12.470 5.910 -16.745 665 HG21 ILE 86 1HG2 ILE 86 15.724 6.588 -14.795 666 HG22 ILE 86 2HG2 ILE 86 14.970 5.365 -15.819 667 HG23 ILE 86 3HG2 ILE 86 14.597 5.425 -14.095 668 HD11 ILE 86 3HD1 ILE 86 11.050 4.551 -15.317 669 HD12 ILE 86 1HD1 ILE 86 11.832 5.202 -13.881 670 HD13 ILE 86 2HD1 ILE 86 12.753 4.219 -15.020 671 H ARG 87 HN ARG 87 11.009 7.741 -13.129 672 HA ARG 87 HA ARG 87 11.640 5.932 -10.918 673 HB2 ARG 87 2HB ARG 87 10.206 8.613 -10.479 674 HB3 ARG 87 1HB ARG 87 10.256 7.304 -9.312 675 HG2 ARG 87 2HG ARG 87 11.839 8.759 -8.457 676 HG3 ARG 87 1HG ARG 87 12.854 7.652 -9.379 677 HD2 ARG 87 2HD ARG 87 13.519 10.009 -9.696 678 HD3 ARG 87 1HD ARG 87 12.991 9.283 -11.212 679 HE ARG 87 HE ARG 87 10.721 10.453 -10.339 680 HH11 ARG 87 1HH1 ARG 87 13.958 11.748 -10.604 681 HH12 ARG 87 2HH1 ARG 87 13.424 13.347 -10.981 682 HH21 ARG 87 1HH2 ARG 87 10.008 12.550 -10.851 683 HH22 ARG 87 2HH2 ARG 87 11.179 13.805 -11.118 684 H THR 88 HN THR 88 9.641 4.990 -10.095 685 HA THR 88 HA THR 88 7.170 5.640 -11.570 686 HB THR 88 HB THR 88 7.902 2.791 -10.739 687 HG1 THR 88 HG1 THR 88 8.575 4.229 -13.020 688 HG21 THR 88 3HG2 THR 88 5.764 3.840 -12.641 689 HG22 THR 88 1HG2 THR 88 5.468 3.221 -11.006 690 HG23 THR 88 2HG2 THR 88 6.072 2.144 -12.266 691 H GLU 89 HN GLU 89 5.356 5.721 -10.248 692 HA GLU 89 HA GLU 89 5.597 4.980 -7.396 693 HB2 GLU 89 2HB GLU 89 4.287 7.086 -6.831 694 HB3 GLU 89 1HB GLU 89 5.938 7.348 -7.383 695 HG2 GLU 89 2HG GLU 89 5.070 7.864 -9.657 696 HG3 GLU 89 1HG GLU 89 3.427 7.711 -9.033 697 H VAL 90 HN VAL 90 3.813 4.079 -6.494 698 HA VAL 90 HA VAL 90 1.573 3.472 -8.308 699 HB VAL 90 HB VAL 90 0.960 1.695 -6.588 700 HG11 VAL 90 1HG1 VAL 90 3.692 1.453 -7.921 701 HG12 VAL 90 2HG1 VAL 90 2.127 1.129 -8.683 702 HG13 VAL 90 3HG1 VAL 90 2.694 0.103 -7.362 703 HG21 VAL 90 3HG2 VAL 90 2.696 0.969 -4.982 704 HG22 VAL 90 1HG2 VAL 90 2.188 2.627 -4.649 705 HG23 VAL 90 2HG2 VAL 90 3.724 2.326 -5.460 706 H ARG 91 HN ARG 91 -0.233 4.508 -8.094 707 HA ARG 91 HA ARG 91 -1.520 5.062 -5.624 708 HB2 ARG 91 2HB ARG 91 -1.725 7.531 -5.962 709 HB3 ARG 91 1HB ARG 91 -0.098 7.017 -5.568 710 HG2 ARG 91 2HG ARG 91 0.600 7.348 -7.894 711 HG3 ARG 91 1HG ARG 91 -1.057 7.762 -8.354 712 HD2 ARG 91 2HD ARG 91 -0.997 9.721 -6.860 713 HD3 ARG 91 1HD ARG 91 0.642 9.303 -6.351 714 HE ARG 91 HE ARG 91 0.875 9.564 -9.047 715 HH11 ARG 91 1HH1 ARG 91 -0.431 11.716 -6.597 716 HH12 ARG 91 2HH1 ARG 91 0.085 13.154 -7.416 717 HH21 ARG 91 1HH2 ARG 91 1.582 11.453 -10.093 718 HH22 ARG 91 2HH2 ARG 91 1.239 13.003 -9.395 719 H SER 92 HN SER 92 -3.686 4.755 -6.004 720 HA SER 92 HA SER 92 -4.692 4.867 -8.756 721 HB2 SER 92 2HB SER 92 -5.256 2.914 -7.292 722 HB3 SER 92 1HB SER 92 -6.147 3.995 -6.233 723 HG SER 92 HG SER 92 -7.191 2.734 -8.133 724 H ARG 93 HN ARG 93 -7.222 5.708 -8.645 725 HA ARG 93 HA ARG 93 -6.607 8.469 -9.004 726 HB2 ARG 93 2HB ARG 93 -9.238 6.998 -9.444 727 HB3 ARG 93 1HB ARG 93 -8.836 8.595 -10.073 728 HG2 ARG 93 2HG ARG 93 -7.488 5.979 -10.819 729 HG3 ARG 93 1HG ARG 93 -8.626 6.894 -11.817 730 HD2 ARG 93 2HD ARG 93 -5.853 7.783 -10.947 731 HD3 ARG 93 1HD ARG 93 -6.334 7.284 -12.571 732 HE ARG 93 HE ARG 93 -7.144 9.776 -11.192 733 HH11 ARG 93 1HH1 ARG 93 -6.929 7.951 -14.187 734 HH12 ARG 93 2HH1 ARG 93 -7.186 9.338 -15.196 735 HH21 ARG 93 1HH2 ARG 93 -7.478 11.584 -12.513 736 HH22 ARG 93 2HH2 ARG 93 -7.497 11.405 -14.235 737 H THR 94 HN THR 94 -9.215 6.904 -7.050 738 HA THR 94 HA THR 94 -10.246 9.477 -6.251 739 HB THR 94 HB THR 94 -11.055 6.659 -5.411 740 HG1 THR 94 HG1 THR 94 -12.289 8.474 -7.236 741 HG21 THR 94 3HG2 THR 94 -13.200 7.668 -4.637 742 HG22 THR 94 1HG2 THR 94 -12.543 9.277 -4.946 743 HG23 THR 94 2HG2 THR 94 -11.831 8.259 -3.694 744 H ALA 95 HN ALA 95 -9.089 6.714 -4.259 745 HA ALA 95 HA ALA 95 -8.518 8.650 -2.071 746 HB1 ALA 95 3HB ALA 95 -10.565 7.363 -1.641 747 HB2 ALA 95 1HB ALA 95 -9.304 6.966 -0.476 748 HB3 ALA 95 2HB ALA 95 -9.664 5.853 -1.799 749 H ASP 96 HN ASP 96 -7.517 5.740 -3.740 750 HA ASP 96 HA ASP 96 -5.534 4.857 -1.885 751 HB2 ASP 96 2HB ASP 96 -5.890 4.023 -4.773 752 HB3 ASP 96 1HB ASP 96 -4.982 3.153 -3.551 753 H SER 97 HN SER 97 -5.168 7.645 -3.271 754 HA SER 97 HA SER 97 -2.864 7.621 -4.849 755 HB2 SER 97 2HB SER 97 -3.806 9.797 -2.949 756 HB3 SER 97 1HB SER 97 -2.726 10.015 -4.343 757 HG SER 97 HG SER 97 -4.672 8.934 -5.481 758 H HIS 98 HN HIS 98 -3.158 7.108 -1.456 759 HA HIS 98 HA HIS 98 -0.577 8.079 -0.660 760 HB2 HIS 98 2HB HIS 98 -2.444 6.383 1.035 761 HB3 HIS 98 1HB HIS 98 -1.219 7.532 1.582 762 HD1 HIS 98 HD1 HIS 98 -4.731 7.233 0.804 763 HD2 HIS 98 HD2 HIS 98 -1.928 10.304 0.840 764 HE1 HIS 98 HE1 HIS 98 -6.067 9.368 0.752 765 HE2 HIS 98 HE2 HIS 98 -4.356 11.213 0.911 766 H LEU 99 HN LEU 99 -1.149 5.238 -2.284 767 HA LEU 99 HA LEU 99 -0.217 3.111 -0.794 768 HB2 LEU 99 2HB LEU 99 0.621 3.433 -3.694 769 HB3 LEU 99 1HB LEU 99 0.375 1.935 -2.816 770 HG LEU 99 HG LEU 99 -1.737 3.856 -3.819 771 HD11 LEU 99 1HD1 LEU 99 -1.145 0.986 -4.580 772 HD12 LEU 99 2HD1 LEU 99 -0.834 2.421 -5.562 773 HD13 LEU 99 3HD1 LEU 99 -2.492 1.956 -5.184 774 HD21 LEU 99 3HD2 LEU 99 -2.165 1.376 -2.153 775 HD22 LEU 99 1HD2 LEU 99 -3.429 2.337 -2.925 776 HD23 LEU 99 2HD2 LEU 99 -2.453 3.041 -1.642 777 H GLY 100 HN GLY 100 2.014 4.672 -3.161 778 HA2 GLY 100 2HA GLY 100 4.190 5.203 -1.571 779 HA3 GLY 100 1HA GLY 100 4.276 3.466 -1.849 780 H HIS 101 HN HIS 101 6.275 3.905 -2.854 781 HA HIS 101 HA HIS 101 6.102 4.781 -5.674 782 HB2 HIS 101 2HB HIS 101 8.343 5.456 -3.694 783 HB3 HIS 101 1HB HIS 101 8.440 5.714 -5.433 784 HD1 HIS 101 HD1 HIS 101 7.612 7.911 -6.281 785 HD2 HIS 101 HD2 HIS 101 6.275 7.137 -2.425 786 HE1 HIS 101 HE1 HIS 101 6.461 10.008 -5.538 787 HE2 HIS 101 HE2 HIS 101 5.483 9.441 -3.298 788 H VAL 102 HN VAL 102 7.632 3.636 -7.034 789 HA VAL 102 HA VAL 102 8.680 1.127 -5.939 790 HB VAL 102 HB VAL 102 7.665 -0.272 -7.642 791 HG11 VAL 102 1HG1 VAL 102 5.491 1.456 -6.405 792 HG12 VAL 102 2HG1 VAL 102 6.308 0.108 -5.615 793 HG13 VAL 102 3HG1 VAL 102 5.281 -0.189 -7.020 794 HG21 VAL 102 3HG2 VAL 102 7.598 1.251 -9.533 795 HG22 VAL 102 1HG2 VAL 102 6.343 2.223 -8.762 796 HG23 VAL 102 2HG2 VAL 102 5.992 0.569 -9.279 797 H PHE 103 HN PHE 103 10.505 0.381 -7.057 798 HA PHE 103 HA PHE 103 11.529 2.229 -9.147 799 HB2 PHE 103 2HB PHE 103 12.582 2.374 -6.727 800 HB3 PHE 103 1HB PHE 103 13.418 0.894 -7.173 801 HD1 PHE 103 HD1 PHE 103 15.151 0.935 -8.981 802 HD2 PHE 103 HD2 PHE 103 13.154 4.515 -7.753 803 HE1 PHE 103 HE1 PHE 103 16.858 2.284 -10.126 804 HE2 PHE 103 HE2 PHE 103 14.861 5.860 -8.907 805 HZ PHE 103 HZ PHE 103 16.717 4.746 -10.089 806 H ASN 104 HN ASN 104 12.959 1.321 -10.673 807 HA ASN 104 HA ASN 104 12.029 -1.303 -11.525 808 HB2 ASN 104 2HB ASN 104 13.780 0.754 -12.933 809 HB3 ASN 104 1HB ASN 104 13.179 -0.725 -13.672 810 HD21 ASN 104 1HD2 ASN 104 11.405 1.638 -11.608 811 HD22 ASN 104 2HD2 ASN 104 10.253 2.055 -12.816 812 H ASP 105 HN ASP 105 14.292 -0.656 -9.410 813 HA ASP 105 HA ASP 105 16.450 -2.391 -10.329 814 HB2 ASP 105 2HB ASP 105 17.050 -0.489 -8.872 815 HB3 ASP 105 1HB ASP 105 15.912 -1.025 -7.641 816 H GLY 106 HN GLY 106 13.469 -2.511 -8.599 817 HA2 GLY 106 2HA GLY 106 13.935 -4.664 -6.820 818 HA3 GLY 106 1HA GLY 106 12.373 -4.032 -7.298 819 HA PRO 107 HA PRO 107 13.099 -8.105 -9.692 820 HB2 PRO 107 2HB PRO 107 13.600 -10.165 -8.016 821 HB3 PRO 107 1HB PRO 107 14.905 -9.138 -8.628 822 HG2 PRO 107 2HG PRO 107 13.583 -9.108 -5.925 823 HG3 PRO 107 1HG PRO 107 15.294 -8.878 -6.342 824 HD2 PRO 107 2HD PRO 107 13.460 -6.812 -5.830 825 HD3 PRO 107 1HD PRO 107 15.012 -6.619 -6.670 826 H GLY 108 HN GLY 108 11.121 -8.749 -10.240 827 HA2 GLY 108 2HA GLY 108 9.327 -10.200 -8.603 828 HA3 GLY 108 1HA GLY 108 8.777 -8.531 -8.735 829 HA PRO 109 HA PRO 109 7.290 -11.203 -12.487 830 HB2 PRO 109 2HB PRO 109 4.624 -10.329 -11.378 831 HB3 PRO 109 1HB PRO 109 5.104 -11.885 -12.073 832 HG2 PRO 109 2HG PRO 109 4.781 -11.628 -9.432 833 HG3 PRO 109 1HG PRO 109 6.105 -12.616 -10.090 834 HD2 PRO 109 2HD PRO 109 6.212 -9.824 -8.945 835 HD3 PRO 109 1HD PRO 109 7.341 -11.179 -8.718 836 H ASN 110 HN ASN 110 6.567 -8.110 -11.031 837 HA ASN 110 HA ASN 110 5.603 -6.863 -13.483 838 HB2 ASN 110 2HB ASN 110 5.206 -4.902 -12.015 839 HB3 ASN 110 1HB ASN 110 4.461 -6.357 -11.372 840 HD21 ASN 110 1HD2 ASN 110 4.907 -4.089 -9.825 841 HD22 ASN 110 2HD2 ASN 110 6.082 -4.462 -8.609 842 H GLY 111 HN GLY 111 8.580 -7.179 -11.699 843 HA2 GLY 111 2HA GLY 111 10.733 -6.613 -12.396 844 HA3 GLY 111 1HA GLY 111 10.061 -5.609 -13.672 845 H LEU 112 HN LEU 112 8.600 -4.998 -10.723 846 HA LEU 112 HA LEU 112 10.216 -2.584 -10.153 847 HB2 LEU 112 2HB LEU 112 7.233 -3.056 -9.707 848 HB3 LEU 112 1HB LEU 112 8.101 -1.578 -9.311 849 HG LEU 112 HG LEU 112 7.825 -2.639 -12.159 850 HD11 LEU 112 1HD1 LEU 112 6.113 -0.532 -10.797 851 HD12 LEU 112 2HD1 LEU 112 5.586 -2.134 -11.315 852 HD13 LEU 112 3HD1 LEU 112 6.079 -0.941 -12.513 853 HD21 LEU 112 3HD2 LEU 112 8.499 -0.345 -12.800 854 HD22 LEU 112 1HD2 LEU 112 9.737 -1.142 -11.825 855 HD23 LEU 112 2HD2 LEU 112 8.691 0.077 -11.094 856 H ARG 113 HN ARG 113 9.759 -1.893 -7.760 857 HA ARG 113 HA ARG 113 9.283 -4.234 -5.994 858 HB2 ARG 113 2HB ARG 113 10.799 -3.214 -4.282 859 HB3 ARG 113 1HB ARG 113 11.638 -3.718 -5.743 860 HG2 ARG 113 2HG ARG 113 11.657 -1.326 -6.500 861 HG3 ARG 113 1HG ARG 113 10.927 -0.874 -4.955 862 HD2 ARG 113 2HD ARG 113 12.908 -1.878 -3.792 863 HD3 ARG 113 1HD ARG 113 13.641 -2.166 -5.378 864 HE ARG 113 HE ARG 113 12.844 0.577 -4.724 865 HH11 ARG 113 1HH1 ARG 113 15.500 -1.705 -5.100 866 HH12 ARG 113 2HH1 ARG 113 16.717 -0.470 -5.036 867 HH21 ARG 113 1HH2 ARG 113 14.431 2.167 -4.620 868 HH22 ARG 113 2HH2 ARG 113 16.108 1.731 -4.738 869 H TYR 114 HN TYR 114 7.309 -3.963 -5.322 870 HA TYR 114 HA TYR 114 5.910 -1.500 -5.140 871 HB2 TYR 114 2HB TYR 114 4.900 -3.736 -5.677 872 HB3 TYR 114 1HB TYR 114 5.222 -4.262 -4.036 873 HD1 TYR 114 HD2 TYR 114 3.497 -1.311 -5.675 874 HD2 TYR 114 HD1 TYR 114 3.302 -4.388 -2.723 875 HE1 TYR 114 HE2 TYR 114 1.271 -0.524 -4.977 876 HE2 TYR 114 HE1 TYR 114 1.093 -3.597 -2.036 877 HH TYR 114 HH TYR 114 -0.192 -1.539 -2.077 878 H CYS 115 HN CYS 115 6.887 -0.042 -3.723 879 HA CYS 115 HA CYS 115 7.733 -1.006 -1.039 880 HB2 CYS 115 2HB CYS 115 9.632 -0.454 -2.563 881 HB3 CYS 115 1HB CYS 115 9.009 1.181 -2.747 882 HG CYS 115 HG CYS 115 9.288 0.672 0.438 883 H ILE 116 HN ILE 116 6.288 -0.296 0.374 884 HA ILE 116 HA ILE 116 4.572 1.978 -0.370 885 HB ILE 116 HB ILE 116 3.993 -0.574 1.210 886 HG12 ILE 116 2HG1 ILE 116 4.309 -1.026 -1.174 887 HG13 ILE 116 1HG1 ILE 116 2.588 -1.148 -0.809 888 HG21 ILE 116 1HG2 ILE 116 2.570 1.276 2.016 889 HG22 ILE 116 2HG2 ILE 116 1.624 0.068 1.149 890 HG23 ILE 116 3HG2 ILE 116 2.038 1.589 0.365 891 HD11 ILE 116 3HD1 ILE 116 3.060 0.005 -2.921 892 HD12 ILE 116 1HD1 ILE 116 3.927 1.265 -2.048 893 HD13 ILE 116 2HD1 ILE 116 2.197 1.031 -1.784 894 H ASN 117 HN ASN 117 3.795 3.384 1.160 895 HA ASN 117 HA ASN 117 5.484 4.101 3.330 896 HB2 ASN 117 2HB ASN 117 2.664 5.054 2.668 897 HB3 ASN 117 1HB ASN 117 3.818 5.866 3.711 898 HD21 ASN 117 1HD2 ASN 117 2.684 5.517 0.523 899 HD22 ASN 117 2HD2 ASN 117 3.853 6.526 -0.253 900 H SER 118 HN SER 118 5.488 3.083 5.240 901 HA SER 118 HA SER 118 3.687 1.133 6.118 902 HB2 SER 118 2HB SER 118 4.940 1.388 8.299 903 HB3 SER 118 1HB SER 118 5.974 1.174 6.892 904 HG SER 118 HG SER 118 6.736 2.844 8.214 905 H ALA 119 HN ALA 119 3.705 4.590 6.594 906 HA ALA 119 HA ALA 119 1.865 4.746 8.782 907 HB1 ALA 119 3HB ALA 119 1.894 7.158 8.350 908 HB2 ALA 119 1HB ALA 119 2.731 6.883 6.818 909 HB3 ALA 119 2HB ALA 119 3.528 6.495 8.340 910 H ALA 120 HN ALA 120 1.497 4.543 5.298 911 HA ALA 120 HA ALA 120 -1.164 5.676 5.203 912 HB1 ALA 120 3HB ALA 120 0.398 5.965 3.326 913 HB2 ALA 120 1HB ALA 120 -1.067 5.131 2.810 914 HB3 ALA 120 2HB ALA 120 0.425 4.218 3.074 915 H LEU 121 HN LEU 121 0.094 2.680 6.063 916 HA LEU 121 HA LEU 121 -2.001 1.039 4.881 917 HB2 LEU 121 2HB LEU 121 0.484 0.293 6.466 918 HB3 LEU 121 1HB LEU 121 -0.619 -0.856 5.709 919 HG LEU 121 HG LEU 121 1.075 1.202 4.253 920 HD11 LEU 121 1HD1 LEU 121 2.324 -0.697 3.366 921 HD12 LEU 121 2HD1 LEU 121 1.376 -1.804 4.361 922 HD13 LEU 121 3HD1 LEU 121 2.432 -0.613 5.123 923 HD21 LEU 121 3HD2 LEU 121 0.261 0.073 2.184 924 HD22 LEU 121 1HD2 LEU 121 -0.994 0.931 3.070 925 HD23 LEU 121 2HD2 LEU 121 -0.895 -0.831 3.160 926 H ARG 122 HN ARG 122 -3.174 -0.407 6.025 927 HA ARG 122 HA ARG 122 -3.391 -0.199 8.968 928 HB2 ARG 122 2HB ARG 122 -5.327 0.999 8.014 929 HB3 ARG 122 1HB ARG 122 -5.679 -0.349 6.940 930 HG2 ARG 122 2HG ARG 122 -6.132 -1.759 8.984 931 HG3 ARG 122 1HG ARG 122 -5.933 -0.303 9.965 932 HD2 ARG 122 2HD ARG 122 -7.836 0.744 8.769 933 HD3 ARG 122 1HD ARG 122 -8.026 -0.728 7.797 934 HE ARG 122 HE ARG 122 -8.168 -0.924 10.723 935 HH11 ARG 122 1HH1 ARG 122 -9.947 -1.076 7.686 936 HH12 ARG 122 2HH1 ARG 122 -11.341 -1.801 8.418 937 HH21 ARG 122 1HH2 ARG 122 -9.960 -1.912 11.634 938 HH22 ARG 122 2HH2 ARG 122 -11.345 -2.281 10.652 939 H PHE 123 HN PHE 123 -2.840 -2.175 9.737 940 HA PHE 123 HA PHE 123 -2.953 -4.540 8.081 941 HB2 PHE 123 2HB PHE 123 -1.900 -5.726 9.859 942 HB3 PHE 123 1HB PHE 123 -1.185 -4.127 9.920 943 HD1 PHE 123 HD1 PHE 123 -2.208 -2.447 11.662 944 HD2 PHE 123 HD2 PHE 123 -2.795 -6.682 11.829 945 HE1 PHE 123 HE1 PHE 123 -2.841 -2.280 14.030 946 HE2 PHE 123 HE2 PHE 123 -3.420 -6.497 14.201 947 HZ PHE 123 HZ PHE 123 -3.445 -4.294 15.301 948 H VAL 124 HN VAL 124 -4.751 -5.686 7.795 949 HA VAL 124 HA VAL 124 -6.844 -5.722 9.896 950 HB VAL 124 HB VAL 124 -7.416 -6.009 6.904 951 HG11 VAL 124 1HG1 VAL 124 -9.281 -5.521 9.262 952 HG12 VAL 124 2HG1 VAL 124 -9.067 -7.056 8.414 953 HG13 VAL 124 3HG1 VAL 124 -9.770 -5.672 7.570 954 HG21 VAL 124 3HG2 VAL 124 -6.601 -3.713 7.267 955 HG22 VAL 124 1HG2 VAL 124 -7.775 -3.488 8.568 956 HG23 VAL 124 2HG2 VAL 124 -8.331 -3.715 6.906 957 HA PRO 125 HA PRO 125 -5.186 -9.985 9.408 958 HB2 PRO 125 2HB PRO 125 -6.494 -10.481 12.034 959 HB3 PRO 125 1HB PRO 125 -4.789 -10.610 11.594 960 HG2 PRO 125 2HG PRO 125 -5.669 -8.629 13.197 961 HG3 PRO 125 1HG PRO 125 -4.355 -8.364 12.033 962 HD2 PRO 125 2HD PRO 125 -7.283 -7.657 11.766 963 HD3 PRO 125 1HD PRO 125 -5.846 -6.661 11.413 964 H LYS 126 HN LYS 126 -6.235 -12.113 9.355 965 HA LYS 126 HA LYS 126 -8.334 -12.212 7.626 966 HB2 LYS 126 2HB LYS 126 -8.425 -14.698 8.133 967 HB3 LYS 126 1HB LYS 126 -6.835 -14.051 7.725 968 HG2 LYS 126 2HG LYS 126 -6.270 -13.979 10.152 969 HG3 LYS 126 1HG LYS 126 -7.844 -14.701 10.521 970 HD2 LYS 126 2HD LYS 126 -7.220 -16.726 9.261 971 HD3 LYS 126 1HD LYS 126 -5.672 -16.000 8.815 972 HE2 LYS 126 2HE LYS 126 -5.029 -15.937 11.213 973 HE3 LYS 126 1HE LYS 126 -6.574 -16.675 11.639 974 HZ1 LYS 126 3HZ LYS 126 -5.941 -18.612 10.325 975 HZ2 LYS 126 1HZ LYS 126 -4.838 -18.315 11.573 976 HZ3 LYS 126 2HZ LYS 126 -4.452 -17.905 9.981 977 H HIS 127 HN HIS 127 -8.607 -12.522 11.137 978 HA HIS 127 HA HIS 127 -11.339 -13.390 11.213 979 HB2 HIS 127 2HB HIS 127 -9.606 -13.693 13.058 980 HB3 HIS 127 1HB HIS 127 -9.782 -11.989 13.430 981 HD1 HIS 127 HD1 HIS 127 -11.014 -15.213 14.399 982 HD2 HIS 127 HD2 HIS 127 -12.608 -11.382 14.256 983 HE1 HIS 127 HE1 HIS 127 -12.977 -15.247 15.967 984 HE2 HIS 127 HE2 HIS 127 -13.795 -12.864 16.014 985 H LYS 128 HN LYS 128 -9.790 -10.307 10.903 986 HA LYS 128 HA LYS 128 -12.224 -8.770 11.542 987 HB2 LYS 128 2HB LYS 128 -10.178 -8.085 12.724 988 HB3 LYS 128 1HB LYS 128 -9.318 -7.895 11.198 989 HG2 LYS 128 2HG LYS 128 -10.776 -6.022 10.581 990 HG3 LYS 128 1HG LYS 128 -11.721 -6.235 12.060 991 HD2 LYS 128 2HD LYS 128 -8.749 -5.539 12.008 992 HD3 LYS 128 1HD LYS 128 -10.045 -4.342 12.122 993 HE2 LYS 128 2HE LYS 128 -9.531 -6.568 14.133 994 HE3 LYS 128 1HE LYS 128 -9.102 -4.868 14.343 995 HZ1 LYS 128 3HZ LYS 128 -11.168 -5.399 15.460 996 HZ2 LYS 128 1HZ LYS 128 -11.865 -5.929 14.011 997 HZ3 LYS 128 2HZ LYS 128 -11.454 -4.303 14.206 998 H LEU 129 HN LEU 129 -10.279 -9.866 8.881 999 HA LEU 129 HA LEU 129 -10.775 -7.945 6.911 1000 HB2 LEU 129 2HB LEU 129 -10.364 -10.938 6.749 1001 HB3 LEU 129 1HB LEU 129 -10.588 -9.970 5.303 1002 HG LEU 129 HG LEU 129 -8.317 -9.585 7.286 1003 HD11 LEU 129 1HD1 LEU 129 -8.081 -11.703 6.106 1004 HD12 LEU 129 2HD1 LEU 129 -6.880 -10.544 5.538 1005 HD13 LEU 129 3HD1 LEU 129 -8.308 -10.896 4.547 1006 HD21 LEU 129 3HD2 LEU 129 -7.374 -8.113 5.589 1007 HD22 LEU 129 1HD2 LEU 129 -8.945 -7.532 6.131 1008 HD23 LEU 129 2HD2 LEU 129 -8.800 -8.352 4.567 1009 H LYS 130 HN LYS 130 -12.679 -10.838 7.754 1010 HA LYS 130 HA LYS 130 -14.704 -10.509 5.789 1011 HB2 LYS 130 2HB LYS 130 -15.910 -12.270 7.116 1012 HB3 LYS 130 1HB LYS 130 -14.259 -12.703 6.703 1013 HG2 LYS 130 2HG LYS 130 -13.584 -11.981 9.037 1014 HG3 LYS 130 1HG LYS 130 -15.305 -11.832 9.413 1015 HD2 LYS 130 2HD LYS 130 -13.927 -14.383 8.466 1016 HD3 LYS 130 1HD LYS 130 -14.321 -14.010 10.145 1017 HE2 LYS 130 2HE LYS 130 -16.358 -14.294 7.907 1018 HE3 LYS 130 1HE LYS 130 -15.956 -15.561 9.067 1019 HZ1 LYS 130 3HZ LYS 130 -17.107 -12.907 9.743 1020 HZ2 LYS 130 1HZ LYS 130 -16.740 -14.133 10.846 1021 HZ3 LYS 130 2HZ LYS 130 -17.954 -14.365 9.697 1022 H GLU 131 HN GLU 131 -14.171 -9.173 8.923 1023 HA GLU 131 HA GLU 131 -16.826 -8.266 9.494 1024 HB2 GLU 131 2HB GLU 131 -15.243 -8.678 11.300 1025 HB3 GLU 131 1HB GLU 131 -14.050 -7.610 10.579 1026 HG2 GLU 131 2HG GLU 131 -15.473 -5.667 11.091 1027 HG3 GLU 131 1HG GLU 131 -16.690 -6.743 11.784 1028 H GLU 132 HN GLU 132 -13.865 -6.918 8.100 1029 HA GLU 132 HA GLU 132 -15.048 -4.258 7.716 1030 HB2 GLU 132 2HB GLU 132 -12.207 -5.256 7.303 1031 HB3 GLU 132 1HB GLU 132 -12.719 -3.576 7.175 1032 HG2 GLU 132 2HG GLU 132 -12.798 -5.270 9.695 1033 HG3 GLU 132 1HG GLU 132 -11.578 -4.061 9.303 1034 H GLY 133 HN GLY 133 -15.354 -6.931 5.948 1035 HA2 GLY 133 2HA GLY 133 -16.273 -7.147 3.867 1036 HA3 GLY 133 1HA GLY 133 -16.107 -5.420 3.639 1037 H TYR 134 HN TYR 134 -13.440 -7.640 4.307 1038 HA TYR 134 HA TYR 134 -12.415 -7.313 1.550 1039 HB2 TYR 134 2HB TYR 134 -10.931 -8.172 4.060 1040 HB3 TYR 134 1HB TYR 134 -10.209 -7.913 2.474 1041 HD1 TYR 134 HD2 TYR 134 -10.431 -5.503 1.467 1042 HD2 TYR 134 HD1 TYR 134 -10.999 -6.388 5.608 1043 HE1 TYR 134 HE2 TYR 134 -10.016 -3.150 2.036 1044 HE2 TYR 134 HE1 TYR 134 -10.589 -4.038 6.166 1045 HH TYR 134 HH TYR 134 -9.471 -2.093 5.224 1046 H GLU 135 HN GLU 135 -14.502 -9.207 2.279 1047 HA GLU 135 HA GLU 135 -13.622 -11.858 2.462 1048 HB2 GLU 135 2HB GLU 135 -15.855 -12.475 1.572 1049 HB3 GLU 135 1HB GLU 135 -15.946 -11.235 2.819 1050 HG2 GLU 135 2HG GLU 135 -16.292 -9.498 1.125 1051 HG3 GLU 135 1HG GLU 135 -16.107 -10.684 -0.164 1052 H SER 136 HN SER 136 -13.437 -9.682 -0.212 1053 HA SER 136 HA SER 136 -13.227 -11.361 -2.443 1054 HB2 SER 136 2HB SER 136 -11.838 -9.481 -3.400 1055 HB3 SER 136 1HB SER 136 -13.333 -8.929 -2.641 1056 HG SER 136 HG SER 136 -12.227 -7.966 -1.109 1057 H TYR 137 HN TYR 137 -10.754 -10.291 -0.103 1058 HA TYR 137 HA TYR 137 -8.605 -11.739 -1.322 1059 HB2 TYR 137 2HB TYR 137 -7.961 -9.796 -0.140 1060 HB3 TYR 137 1HB TYR 137 -8.869 -10.265 1.293 1061 HD1 TYR 137 HD2 TYR 137 -5.841 -11.226 -0.748 1062 HD2 TYR 137 HD1 TYR 137 -7.814 -11.482 3.036 1063 HE1 TYR 137 HE2 TYR 137 -3.853 -12.278 0.243 1064 HE2 TYR 137 HE1 TYR 137 -5.835 -12.535 4.010 1065 HH TYR 137 HH TYR 137 -3.930 -13.866 3.226 1066 H LEU 138 HN LEU 138 -10.822 -12.377 1.369 1067 HA LEU 138 HA LEU 138 -9.705 -14.772 2.271 1068 HB2 LEU 138 2HB LEU 138 -12.540 -13.756 2.212 1069 HB3 LEU 138 1HB LEU 138 -12.191 -15.369 2.815 1070 HG LEU 138 HG LEU 138 -10.716 -14.455 4.555 1071 HD11 LEU 138 1HD1 LEU 138 -11.468 -11.682 3.588 1072 HD12 LEU 138 2HD1 LEU 138 -9.892 -12.448 3.367 1073 HD13 LEU 138 3HD1 LEU 138 -10.476 -12.096 4.987 1074 HD21 LEU 138 3HD2 LEU 138 -13.423 -13.103 4.541 1075 HD22 LEU 138 1HD2 LEU 138 -12.392 -13.362 5.953 1076 HD23 LEU 138 2HD2 LEU 138 -13.077 -14.745 5.098 1077 H HIS 139 HN HIS 139 -11.417 -14.156 -0.687 1078 HA HIS 139 HA HIS 139 -11.346 -16.926 -1.522 1079 HB2 HIS 139 2HB HIS 139 -13.049 -15.679 -2.580 1080 HB3 HIS 139 1HB HIS 139 -12.004 -14.299 -2.866 1081 HD1 HIS 139 HD1 HIS 139 -12.154 -17.940 -4.067 1082 HD2 HIS 139 HD2 HIS 139 -11.242 -14.123 -5.439 1083 HE1 HIS 139 HE1 HIS 139 -11.577 -18.200 -6.495 1084 HE2 HIS 139 HE2 HIS 139 -10.882 -15.910 -7.256 1085 H LEU 140 HN LEU 140 -9.253 -14.022 -1.942 1086 HA LEU 140 HA LEU 140 -7.698 -15.008 -4.114 1087 HB2 LEU 140 2HB LEU 140 -6.904 -12.915 -2.052 1088 HB3 LEU 140 1HB LEU 140 -6.066 -13.199 -3.569 1089 HG LEU 140 HG LEU 140 -8.902 -12.122 -3.278 1090 HD11 LEU 140 1HD1 LEU 140 -7.989 -10.009 -4.119 1091 HD12 LEU 140 2HD1 LEU 140 -6.363 -10.699 -4.136 1092 HD13 LEU 140 3HD1 LEU 140 -7.218 -10.481 -2.604 1093 HD21 LEU 140 3HD2 LEU 140 -7.280 -12.529 -5.807 1094 HD22 LEU 140 1HD2 LEU 140 -8.855 -11.741 -5.696 1095 HD23 LEU 140 2HD2 LEU 140 -8.704 -13.455 -5.324 1096 H PHE 141 HN PHE 141 -6.858 -14.901 -0.577 1097 HA PHE 141 HA PHE 141 -4.426 -16.418 -1.031 1098 HB2 PHE 141 2HB PHE 141 -3.862 -16.075 1.193 1099 HB3 PHE 141 1HB PHE 141 -4.888 -14.691 0.881 1100 HD1 PHE 141 HD2 PHE 141 -7.450 -14.997 1.608 1101 HD2 PHE 141 HD1 PHE 141 -4.229 -17.344 3.129 1102 HE1 PHE 141 HE2 PHE 141 -8.784 -15.556 3.599 1103 HE2 PHE 141 HE1 PHE 141 -5.562 -17.896 5.112 1104 HZ PHE 141 HZ PHE 141 -7.840 -17.002 5.348 1105 H ASN 142 HN ASN 142 -7.674 -17.342 -0.642 1106 HA ASN 142 HA ASN 142 -7.149 -19.854 0.726 1107 HB2 ASN 142 2HB ASN 142 -9.249 -18.581 1.159 1108 HB3 ASN 142 1HB ASN 142 -9.747 -18.851 -0.507 1109 HD21 ASN 142 1HD2 ASN 142 -11.633 -19.921 0.212 1110 HD22 ASN 142 2HD2 ASN 142 -11.598 -21.510 0.894 1111 H LYS 143 HN LYS 143 -7.332 -21.866 -0.134 1112 HA LYS 143 HA LYS 143 -6.492 -22.357 -2.774 1113 HB2 LYS 143 2HB LYS 143 -6.853 -24.760 -2.175 1114 HB3 LYS 143 1HB LYS 143 -5.939 -23.878 -0.958 1115 HG2 LYS 143 2HG LYS 143 -8.092 -23.635 0.354 1116 HG3 LYS 143 1HG LYS 143 -8.848 -24.733 -0.801 1117 HD2 LYS 143 2HD LYS 143 -6.432 -25.430 0.924 1118 HD3 LYS 143 1HD LYS 143 -8.095 -25.824 1.346 1119 HE2 LYS 143 2HE LYS 143 -7.195 -27.812 0.426 1120 HE3 LYS 143 1HE LYS 143 -8.193 -27.140 -0.856 1121 HZ1 LYS 143 3HZ LYS 143 -6.019 -27.995 -1.589 1122 HZ2 LYS 143 1HZ LYS 143 -5.253 -26.802 -0.675 1123 HZ3 LYS 143 2HZ LYS 143 -6.247 -26.368 -1.972 1124 H LEU 144 HN LEU 144 -9.705 -22.219 -1.326 1125 HA LEU 144 HA LEU 144 -11.120 -23.533 -3.455 1126 HB2 LEU 144 2HB LEU 144 -12.122 -21.753 -1.204 1127 HB3 LEU 144 1HB LEU 144 -13.166 -22.640 -2.305 1128 HG LEU 144 HG LEU 144 -11.226 -23.896 -0.319 1129 HD11 LEU 144 1HD1 LEU 144 -13.145 -22.875 0.794 1130 HD12 LEU 144 2HD1 LEU 144 -13.253 -24.633 0.873 1131 HD13 LEU 144 3HD1 LEU 144 -14.255 -23.740 -0.277 1132 HD21 LEU 144 3HD2 LEU 144 -12.284 -26.048 -0.952 1133 HD22 LEU 144 1HD2 LEU 144 -11.441 -25.306 -2.310 1134 HD23 LEU 144 2HD2 LEU 144 -13.202 -25.223 -2.214 1135 H GLU 145 HN GLU 145 -12.161 -22.701 -5.143 1136 HA GLU 145 HA GLU 145 -12.217 -19.792 -5.642 1137 HB2 GLU 145 2HB GLU 145 -11.438 -21.942 -7.669 1138 HB3 GLU 145 1HB GLU 145 -11.707 -20.243 -8.052 1139 HG2 GLU 145 2HG GLU 145 -9.835 -19.672 -6.467 1140 HG3 GLU 145 1HG GLU 145 -9.500 -21.394 -6.319 1141 H HIS 146 HN HIS 146 -13.615 -19.730 -7.995 1142 HA HIS 146 HA HIS 146 -16.288 -20.198 -7.128 1143 HB2 HIS 146 2HB HIS 146 -16.992 -19.140 -9.142 1144 HB3 HIS 146 1HB HIS 146 -15.447 -18.381 -8.789 1145 HD1 HIS 146 HD1 HIS 146 -17.261 -20.164 -11.398 1146 HD2 HIS 146 HD2 HIS 146 -13.268 -19.445 -10.502 1147 HE1 HIS 146 HE1 HIS 146 -15.999 -20.682 -13.504 1148 HE2 HIS 146 HE2 HIS 146 -13.619 -20.070 -12.990 1149 H HIS 147 HN HIS 147 -17.887 -21.586 -8.048 1150 HA HIS 147 HA HIS 147 -16.902 -24.144 -9.086 1151 HB2 HIS 147 2HB HIS 147 -18.573 -24.091 -7.216 1152 HB3 HIS 147 1HB HIS 147 -19.739 -23.322 -8.291 1153 HD1 HIS 147 HD1 HIS 147 -20.542 -24.832 -10.371 1154 HD2 HIS 147 HD2 HIS 147 -18.451 -26.839 -7.388 1155 HE1 HIS 147 HE1 HIS 147 -21.007 -27.272 -10.742 1156 HE2 HIS 147 HE2 HIS 147 -19.616 -28.469 -9.024 Start of MODEL 10 1 H1 MET 1 1H MET 1 -11.516 2.909 15.568 2 H2 MET 1 2H MET 1 -12.550 2.517 16.839 3 H3 MET 1 3H MET 1 -11.013 3.137 17.168 4 HA MET 1 HA MET 1 -12.725 4.790 17.491 5 HB2 MET 1 2HB MET 1 -11.668 6.564 16.165 6 HB3 MET 1 1HB MET 1 -10.444 5.476 16.795 7 HG2 MET 1 2HG MET 1 -10.324 4.381 14.558 8 HG3 MET 1 1HG MET 1 -11.488 5.563 13.954 9 HE1 MET 1 3HE MET 1 -7.172 6.549 15.320 10 HE2 MET 1 1HE MET 1 -7.798 4.909 15.150 11 HE3 MET 1 2HE MET 1 -8.404 5.951 16.434 12 H ALA 2 HN ALA 2 -14.434 6.074 16.608 13 HA ALA 2 HA ALA 2 -15.750 4.918 14.196 14 HB1 ALA 2 3HB ALA 2 -17.086 5.830 16.773 15 HB2 ALA 2 1HB ALA 2 -16.860 4.159 16.257 16 HB3 ALA 2 2HB ALA 2 -17.915 5.228 15.334 17 H TYR 3 HN TYR 3 -14.935 6.578 12.885 18 HA TYR 3 HA TYR 3 -16.213 9.238 13.211 19 HB2 TYR 3 2HB TYR 3 -13.633 8.542 11.713 20 HB3 TYR 3 1HB TYR 3 -14.386 10.132 11.748 21 HD1 TYR 3 HD2 TYR 3 -14.424 11.450 13.901 22 HD2 TYR 3 HD1 TYR 3 -12.230 7.802 13.559 23 HE1 TYR 3 HE2 TYR 3 -13.169 12.017 15.934 24 HE2 TYR 3 HE1 TYR 3 -10.977 8.374 15.588 25 HH TYR 3 HH TYR 3 -10.357 10.355 16.874 26 H ASN 4 HN ASN 4 -17.298 10.068 11.412 27 HA ASN 4 HA ASN 4 -18.186 8.455 9.267 28 HB2 ASN 4 2HB ASN 4 -17.962 11.485 9.542 29 HB3 ASN 4 1HB ASN 4 -18.677 10.708 8.133 30 HD21 ASN 4 1HD2 ASN 4 -20.614 11.829 8.577 31 HD22 ASN 4 2HD2 ASN 4 -21.692 11.308 9.824 32 H LYS 5 HN LYS 5 -17.419 8.365 7.067 33 HA LYS 5 HA LYS 5 -14.608 7.913 7.093 34 HB2 LYS 5 2HB LYS 5 -16.565 7.798 4.770 35 HB3 LYS 5 1HB LYS 5 -14.899 7.227 4.703 36 HG2 LYS 5 2HG LYS 5 -15.394 5.554 6.446 37 HG3 LYS 5 1HG LYS 5 -17.063 6.123 6.529 38 HD2 LYS 5 2HD LYS 5 -15.710 4.824 4.135 39 HD3 LYS 5 1HD LYS 5 -16.915 4.080 5.188 40 HE2 LYS 5 2HE LYS 5 -18.589 5.744 4.438 41 HE3 LYS 5 1HE LYS 5 -17.381 6.488 3.391 42 HZ1 LYS 5 3HZ LYS 5 -17.211 4.314 2.243 43 HZ2 LYS 5 1HZ LYS 5 -18.720 5.065 2.100 44 HZ3 LYS 5 2HZ LYS 5 -18.521 3.773 3.161 45 H GLU 6 HN GLU 6 -16.533 10.625 5.970 46 HA GLU 6 HA GLU 6 -14.601 11.911 4.350 47 HB2 GLU 6 2HB GLU 6 -16.709 13.225 6.125 48 HB3 GLU 6 1HB GLU 6 -15.889 13.975 4.758 49 HG2 GLU 6 2HG GLU 6 -17.889 11.697 4.683 50 HG3 GLU 6 1HG GLU 6 -18.133 13.341 4.103 51 H GLU 7 HN GLU 7 -15.458 12.465 7.777 52 HA GLU 7 HA GLU 7 -13.335 14.243 8.384 53 HB2 GLU 7 2HB GLU 7 -14.865 12.478 10.335 54 HB3 GLU 7 1HB GLU 7 -13.989 13.960 10.717 55 HG2 GLU 7 2HG GLU 7 -16.523 13.705 9.074 56 HG3 GLU 7 1HG GLU 7 -16.372 14.390 10.687 57 H LYS 8 HN LYS 8 -13.559 10.773 8.424 58 HA LYS 8 HA LYS 8 -11.279 10.148 9.991 59 HB2 LYS 8 2HB LYS 8 -12.972 8.447 9.544 60 HB3 LYS 8 1HB LYS 8 -12.721 8.586 7.810 61 HG2 LYS 8 2HG LYS 8 -11.704 6.537 8.710 62 HG3 LYS 8 1HG LYS 8 -10.486 7.611 8.014 63 HD2 LYS 8 2HD LYS 8 -9.983 8.425 10.370 64 HD3 LYS 8 1HD LYS 8 -11.079 7.178 10.977 65 HE2 LYS 8 2HE LYS 8 -9.637 5.428 10.048 66 HE3 LYS 8 1HE LYS 8 -8.595 6.648 9.307 67 HZ1 LYS 8 3HZ LYS 8 -7.645 5.835 11.343 68 HZ2 LYS 8 1HZ LYS 8 -9.023 6.266 12.214 69 HZ3 LYS 8 2HZ LYS 8 -8.054 7.464 11.518 70 H ILE 9 HN ILE 9 -11.814 10.332 6.464 71 HA ILE 9 HA ILE 9 -9.115 9.844 5.722 72 HB ILE 9 HB ILE 9 -11.486 10.920 4.130 73 HG12 ILE 9 2HG1 ILE 9 -11.791 8.603 4.830 74 HG13 ILE 9 1HG1 ILE 9 -11.459 8.613 3.104 75 HG21 ILE 9 1HG2 ILE 9 -10.207 10.471 2.052 76 HG22 ILE 9 2HG2 ILE 9 -8.763 10.136 3.009 77 HG23 ILE 9 3HG2 ILE 9 -9.470 11.752 3.016 78 HD11 ILE 9 3HD1 ILE 9 -10.315 6.797 4.177 79 HD12 ILE 9 1HD1 ILE 9 -9.529 7.897 5.306 80 HD13 ILE 9 2HD1 ILE 9 -9.127 7.956 3.585 81 H LYS 10 HN LYS 10 -10.886 12.844 6.451 82 HA LYS 10 HA LYS 10 -9.109 14.657 5.242 83 HB2 LYS 10 2HB LYS 10 -10.866 15.108 7.687 84 HB3 LYS 10 1HB LYS 10 -10.027 16.377 6.802 85 HG2 LYS 10 2HG LYS 10 -12.280 14.640 5.755 86 HG3 LYS 10 1HG LYS 10 -12.392 16.324 6.225 87 HD2 LYS 10 2HD LYS 10 -12.313 16.506 3.910 88 HD3 LYS 10 1HD LYS 10 -10.611 16.702 4.307 89 HE2 LYS 10 2HE LYS 10 -10.158 14.387 3.654 90 HE3 LYS 10 1HE LYS 10 -11.880 14.078 3.424 91 HZ1 LYS 10 3HZ LYS 10 -10.765 14.450 1.343 92 HZ2 LYS 10 1HZ LYS 10 -10.236 15.971 1.851 93 HZ3 LYS 10 2HZ LYS 10 -11.886 15.676 1.634 94 H SER 11 HN SER 11 -9.307 13.700 8.663 95 HA SER 11 HA SER 11 -6.971 14.994 9.559 96 HB2 SER 11 2HB SER 11 -7.199 13.355 11.522 97 HB3 SER 11 1HB SER 11 -8.627 14.325 11.174 98 HG SER 11 HG SER 11 -9.690 12.580 10.700 99 H LEU 12 HN LEU 12 -7.547 11.579 8.717 100 HA LEU 12 HA LEU 12 -5.118 10.423 8.974 101 HB2 LEU 12 2HB LEU 12 -7.282 9.358 8.397 102 HB3 LEU 12 1HB LEU 12 -7.172 10.032 6.781 103 HG LEU 12 HG LEU 12 -5.085 8.639 6.435 104 HD11 LEU 12 1HD1 LEU 12 -4.697 6.726 7.917 105 HD12 LEU 12 2HD1 LEU 12 -5.923 7.329 9.035 106 HD13 LEU 12 3HD1 LEU 12 -4.448 8.260 8.746 107 HD21 LEU 12 3HD2 LEU 12 -6.327 6.574 6.005 108 HD22 LEU 12 1HD2 LEU 12 -7.239 7.996 5.502 109 HD23 LEU 12 2HD2 LEU 12 -7.666 7.159 6.996 110 H ASN 13 HN ASN 13 -6.278 12.064 5.987 111 HA ASN 13 HA ASN 13 -3.931 11.396 4.475 112 HB2 ASN 13 2HB ASN 13 -6.341 13.115 3.846 113 HB3 ASN 13 1HB ASN 13 -4.950 13.097 2.768 114 HD21 ASN 13 1HD2 ASN 13 -6.212 10.264 4.559 115 HD22 ASN 13 2HD2 ASN 13 -6.698 9.402 3.147 116 H ARG 14 HN ARG 14 -4.850 14.222 6.399 117 HA ARG 14 HA ARG 14 -2.931 16.054 5.493 118 HB2 ARG 14 2HB ARG 14 -4.070 15.559 8.263 119 HB3 ARG 14 1HB ARG 14 -2.951 16.887 7.948 120 HG2 ARG 14 2HG ARG 14 -4.502 17.927 6.413 121 HG3 ARG 14 1HG ARG 14 -5.566 16.518 6.450 122 HD2 ARG 14 2HD ARG 14 -6.447 18.377 7.805 123 HD3 ARG 14 1HD ARG 14 -6.115 16.946 8.787 124 HE ARG 14 HE ARG 14 -4.083 19.074 8.657 125 HH11 ARG 14 1HH1 ARG 14 -6.519 17.380 10.549 126 HH12 ARG 14 2HH1 ARG 14 -6.006 18.077 12.048 127 HH21 ARG 14 1HH2 ARG 14 -3.447 19.996 10.627 128 HH22 ARG 14 2HH2 ARG 14 -4.276 19.578 12.092 129 H MET 15 HN MET 15 -2.591 13.332 7.612 130 HA MET 15 HA MET 15 0.221 13.671 8.189 131 HB2 MET 15 2HB MET 15 -1.274 12.577 9.820 132 HB3 MET 15 1HB MET 15 -1.647 11.307 8.659 133 HG2 MET 15 2HG MET 15 -0.054 10.456 10.250 134 HG3 MET 15 1HG MET 15 0.758 10.637 8.696 135 HE1 MET 15 3HE MET 15 -0.154 13.358 11.446 136 HE2 MET 15 1HE MET 15 1.367 13.406 12.340 137 HE3 MET 15 2HE MET 15 0.388 11.946 12.352 138 H GLN 16 HN GLN 16 -1.698 11.280 6.303 139 HA GLN 16 HA GLN 16 0.586 9.777 5.481 140 HB2 GLN 16 2HB GLN 16 -2.316 9.657 4.610 141 HB3 GLN 16 1HB GLN 16 -1.088 8.536 4.017 142 HG2 GLN 16 2HG GLN 16 -0.646 7.801 6.332 143 HG3 GLN 16 1HG GLN 16 -1.894 8.903 6.919 144 HE21 GLN 16 1HE2 GLN 16 -1.716 5.965 7.088 145 HE22 GLN 16 2HE2 GLN 16 -3.150 5.370 6.369 146 H TYR 17 HN TYR 17 -1.527 12.010 3.708 147 HA TYR 17 HA TYR 17 -0.240 12.071 1.236 148 HB2 TYR 17 2HB TYR 17 -2.227 13.446 1.496 149 HB3 TYR 17 1HB TYR 17 -1.441 14.459 2.695 150 HD1 TYR 17 HD1 TYR 17 -1.247 13.480 -0.924 151 HD2 TYR 17 HD2 TYR 17 -0.349 16.462 2.005 152 HE1 TYR 17 HE1 TYR 17 -0.545 15.021 -2.699 153 HE2 TYR 17 HE2 TYR 17 0.346 18.003 0.228 154 HH TYR 17 HH TYR 17 1.176 17.874 -2.108 155 H GLU 18 HN GLU 18 0.740 13.774 4.221 156 HA GLU 18 HA GLU 18 2.986 15.149 3.133 157 HB2 GLU 18 2HB GLU 18 1.953 15.688 5.360 158 HB3 GLU 18 1HB GLU 18 2.587 14.176 5.998 159 HG2 GLU 18 2HG GLU 18 4.915 15.089 5.338 160 HG3 GLU 18 1HG GLU 18 4.115 16.649 5.156 161 H VAL 19 HN VAL 19 2.491 11.916 4.410 162 HA VAL 19 HA VAL 19 5.214 11.166 4.814 163 HB VAL 19 HB VAL 19 2.632 9.556 4.624 164 HG11 VAL 19 1HG1 VAL 19 4.379 8.066 3.798 165 HG12 VAL 19 2HG1 VAL 19 3.940 7.589 5.439 166 HG13 VAL 19 3HG1 VAL 19 5.416 8.502 5.161 167 HG21 VAL 19 3HG2 VAL 19 4.440 10.190 6.995 168 HG22 VAL 19 1HG2 VAL 19 2.966 9.213 7.052 169 HG23 VAL 19 2HG2 VAL 19 2.876 10.928 6.647 170 H THR 20 HN THR 20 2.832 10.077 2.382 171 HA THR 20 HA THR 20 4.350 8.741 0.579 172 HB THR 20 HB THR 20 2.658 9.453 -1.179 173 HG1 THR 20 HG1 THR 20 1.752 11.099 0.962 174 HG21 THR 20 3HG2 THR 20 0.670 8.494 -0.064 175 HG22 THR 20 1HG2 THR 20 1.448 8.683 1.508 176 HG23 THR 20 2HG2 THR 20 2.114 7.558 0.321 177 H GLN 21 HN GLN 21 4.314 12.247 1.005 178 HA GLN 21 HA GLN 21 5.426 13.024 -1.514 179 HB2 GLN 21 2HB GLN 21 5.415 14.442 1.180 180 HB3 GLN 21 1HB GLN 21 6.054 15.182 -0.282 181 HG2 GLN 21 2HG GLN 21 3.184 14.303 0.126 182 HG3 GLN 21 1HG GLN 21 3.775 15.954 0.268 183 HE21 GLN 21 1HE2 GLN 21 2.962 13.369 -1.923 184 HE22 GLN 21 2HE2 GLN 21 2.994 14.310 -3.370 185 H ASN 22 HN ASN 22 6.850 11.611 1.280 186 HA ASN 22 HA ASN 22 9.595 12.078 0.262 187 HB2 ASN 22 2HB ASN 22 9.050 13.501 2.266 188 HB3 ASN 22 1HB ASN 22 8.723 12.043 3.194 189 HD21 ASN 22 1HD2 ASN 22 10.481 10.808 3.936 190 HD22 ASN 22 2HD2 ASN 22 12.110 11.366 3.852 191 H ASN 23 HN ASN 23 7.251 9.779 0.849 192 HA ASN 23 HA ASN 23 7.076 7.582 1.430 193 HB2 ASN 23 2HB ASN 23 10.033 7.437 0.666 194 HB3 ASN 23 1HB ASN 23 8.999 6.040 0.929 195 HD21 ASN 23 1HD2 ASN 23 9.813 8.644 -1.214 196 HD22 ASN 23 2HD2 ASN 23 8.939 8.069 -2.586 197 H GLY 24 HN GLY 24 7.497 9.444 3.435 198 HA2 GLY 24 2HA GLY 24 9.424 8.709 5.393 199 HA3 GLY 24 1HA GLY 24 8.061 9.793 5.610 200 H THR 25 HN THR 25 8.454 8.506 7.733 201 HA THR 25 HA THR 25 6.247 6.547 7.845 202 HB THR 25 HB THR 25 8.280 5.148 7.965 203 HG1 THR 25 HG1 THR 25 7.125 5.265 10.568 204 HG21 THR 25 3HG2 THR 25 9.846 5.290 9.866 205 HG22 THR 25 1HG2 THR 25 9.014 6.736 10.453 206 HG23 THR 25 2HG2 THR 25 9.879 6.778 8.916 207 H GLU 26 HN GLU 26 5.001 6.636 9.702 208 HA GLU 26 HA GLU 26 5.162 8.972 11.403 209 HB2 GLU 26 2HB GLU 26 3.318 6.549 11.385 210 HB3 GLU 26 1HB GLU 26 3.179 7.841 12.575 211 HG2 GLU 26 2HG GLU 26 2.664 9.454 10.825 212 HG3 GLU 26 1HG GLU 26 2.911 8.230 9.579 213 HA PRO 27 HA PRO 27 7.670 6.847 14.609 214 HB2 PRO 27 2HB PRO 27 6.747 9.182 16.259 215 HB3 PRO 27 1HB PRO 27 8.388 8.590 15.974 216 HG2 PRO 27 2HG PRO 27 7.529 10.840 14.805 217 HG3 PRO 27 1HG PRO 27 8.586 9.711 13.928 218 HD2 PRO 27 2HD PRO 27 5.592 10.071 13.698 219 HD3 PRO 27 1HD PRO 27 6.804 9.838 12.414 220 HA PRO 28 HA PRO 28 3.982 4.792 16.107 221 HB2 PRO 28 2HB PRO 28 5.092 2.875 17.715 222 HB3 PRO 28 1HB PRO 28 5.216 2.834 15.947 223 HG2 PRO 28 2HG PRO 28 7.236 3.810 17.964 224 HG3 PRO 28 1HG PRO 28 7.492 2.789 16.535 225 HD2 PRO 28 2HD PRO 28 8.026 5.468 16.534 226 HD3 PRO 28 1HD PRO 28 7.493 4.601 15.078 227 H PHE 29 HN PHE 29 3.325 6.788 17.217 228 HA PHE 29 HA PHE 29 3.294 6.493 20.167 229 HB2 PHE 29 2HB PHE 29 3.206 9.082 18.555 230 HB3 PHE 29 1HB PHE 29 3.024 8.980 20.302 231 HD1 PHE 29 HD1 PHE 29 5.137 7.255 21.232 232 HD2 PHE 29 HD2 PHE 29 5.274 10.107 18.043 233 HE1 PHE 29 HE1 PHE 29 7.567 7.477 21.526 234 HE2 PHE 29 HE2 PHE 29 7.707 10.314 18.348 235 HZ PHE 29 HZ PHE 29 8.856 9.000 20.084 236 H GLN 30 HN GLN 30 1.505 6.020 17.489 237 HA GLN 30 HA GLN 30 -1.103 6.916 18.475 238 HB2 GLN 30 2HB GLN 30 -0.859 4.799 16.300 239 HB3 GLN 30 1HB GLN 30 -2.037 6.083 16.478 240 HG2 GLN 30 2HG GLN 30 -0.901 6.853 14.638 241 HG3 GLN 30 1HG GLN 30 0.039 7.641 15.904 242 HE21 GLN 30 1HE2 GLN 30 0.844 6.917 13.195 243 HE22 GLN 30 2HE2 GLN 30 2.213 5.875 13.344 244 H ASN 31 HN ASN 31 0.452 3.867 17.683 245 HA ASN 31 HA ASN 31 -0.204 2.664 20.255 246 HB2 ASN 31 2HB ASN 31 -2.047 2.051 18.503 247 HB3 ASN 31 1HB ASN 31 -0.810 1.103 17.691 248 HD21 ASN 31 1HD2 ASN 31 -3.202 0.046 18.703 249 HD22 ASN 31 2HD2 ASN 31 -2.825 -1.042 19.994 250 H GLU 32 HN GLU 32 1.288 0.866 20.653 251 HA GLU 32 HA GLU 32 3.723 0.817 19.031 252 HB2 GLU 32 2HB GLU 32 4.553 -0.752 20.797 253 HB3 GLU 32 1HB GLU 32 4.015 0.796 21.438 254 HG2 GLU 32 2HG GLU 32 1.860 -0.260 22.103 255 HG3 GLU 32 1HG GLU 32 2.471 -1.812 21.541 256 H TYR 33 HN TYR 33 0.895 -1.183 19.714 257 HA TYR 33 HA TYR 33 1.992 -3.656 18.763 258 HB2 TYR 33 2HB TYR 33 -0.865 -2.934 19.540 259 HB3 TYR 33 1HB TYR 33 -0.281 -4.567 19.242 260 HD1 TYR 33 HD2 TYR 33 1.981 -5.127 20.699 261 HD2 TYR 33 HD1 TYR 33 -1.083 -2.351 21.819 262 HE1 TYR 33 HE2 TYR 33 2.631 -5.359 23.054 263 HE2 TYR 33 HE1 TYR 33 -0.428 -2.592 24.180 264 HH TYR 33 HH TYR 33 2.473 -4.086 25.148 265 H TRP 34 HN TRP 34 0.938 -1.087 16.898 266 HA TRP 34 HA TRP 34 -0.488 -2.579 14.879 267 HB2 TRP 34 2HB TRP 34 -0.397 -0.602 13.495 268 HB3 TRP 34 1HB TRP 34 -0.749 -0.093 15.140 269 HD1 TRP 34 HD1 TRP 34 1.725 0.657 16.519 270 HE1 TRP 34 HE1 TRP 34 3.464 2.311 15.638 271 HE3 TRP 34 HE3 TRP 34 0.634 0.414 11.530 272 HZ2 TRP 34 HZ2 TRP 34 4.304 3.385 13.166 273 HZ3 TRP 34 HZ3 TRP 34 1.953 1.790 9.967 274 HH2 TRP 34 HH2 TRP 34 3.752 3.246 10.767 275 H ASP 35 HN ASP 35 2.692 -2.655 15.856 276 HA ASP 35 HA ASP 35 4.054 -3.065 13.356 277 HB2 ASP 35 2HB ASP 35 5.977 -3.584 14.666 278 HB3 ASP 35 1HB ASP 35 5.130 -2.335 15.571 279 H HIS 36 HN HIS 36 1.894 -4.963 15.162 280 HA HIS 36 HA HIS 36 2.976 -7.540 15.061 281 HB2 HIS 36 2HB HIS 36 0.087 -6.617 15.140 282 HB3 HIS 36 1HB HIS 36 0.535 -8.314 15.222 283 HD1 HIS 36 HD1 HIS 36 -0.810 -8.041 17.562 284 HD2 HIS 36 HD2 HIS 36 2.925 -6.235 17.341 285 HE1 HIS 36 HE1 HIS 36 -0.118 -7.642 19.944 286 HE2 HIS 36 HE2 HIS 36 2.187 -6.645 19.785 287 H LYS 37 HN LYS 37 3.230 -8.950 13.531 288 HA LYS 37 HA LYS 37 2.535 -8.280 10.746 289 HB2 LYS 37 2HB LYS 37 4.722 -9.990 12.004 290 HB3 LYS 37 1HB LYS 37 4.516 -9.786 10.267 291 HG2 LYS 37 2HG LYS 37 5.191 -7.525 10.320 292 HG3 LYS 37 1HG LYS 37 4.899 -7.371 12.053 293 HD2 LYS 37 2HD LYS 37 7.118 -9.043 10.806 294 HD3 LYS 37 1HD LYS 37 7.326 -7.417 11.462 295 HE2 LYS 37 2HE LYS 37 6.711 -8.208 13.699 296 HE3 LYS 37 1HE LYS 37 6.368 -9.816 13.061 297 HZ1 LYS 37 3HZ LYS 37 8.719 -9.942 12.400 298 HZ2 LYS 37 1HZ LYS 37 8.492 -9.828 14.071 299 HZ3 LYS 37 2HZ LYS 37 9.005 -8.480 13.191 300 H GLU 38 HN GLU 38 0.471 -9.313 12.146 301 HA GLU 38 HA GLU 38 0.383 -12.191 12.186 302 HB2 GLU 38 2HB GLU 38 -1.753 -10.100 12.747 303 HB3 GLU 38 1HB GLU 38 -1.948 -11.832 13.024 304 HG2 GLU 38 2HG GLU 38 -0.099 -11.785 14.661 305 HG3 GLU 38 1HG GLU 38 0.107 -10.052 14.382 306 H GLU 39 HN GLU 39 -1.243 -13.456 11.134 307 HA GLU 39 HA GLU 39 -1.033 -13.070 8.328 308 HB2 GLU 39 2HB GLU 39 -1.974 -15.306 8.119 309 HB3 GLU 39 1HB GLU 39 -0.799 -15.280 9.416 310 HG2 GLU 39 2HG GLU 39 -2.398 -16.513 10.479 311 HG3 GLU 39 1HG GLU 39 -3.011 -14.917 10.909 312 H GLY 40 HN GLY 40 -2.552 -12.654 6.783 313 HA2 GLY 40 2HA GLY 40 -5.176 -12.487 6.579 314 HA3 GLY 40 1HA GLY 40 -4.897 -11.116 7.647 315 H LEU 41 HN LEU 41 -4.554 -9.204 6.665 316 HA LEU 41 HA LEU 41 -3.349 -9.024 3.983 317 HB2 LEU 41 2HB LEU 41 -5.987 -7.930 4.976 318 HB3 LEU 41 1HB LEU 41 -5.082 -6.943 3.845 319 HG LEU 41 HG LEU 41 -5.874 -9.815 3.227 320 HD11 LEU 41 1HD1 LEU 41 -7.950 -8.683 3.503 321 HD12 LEU 41 2HD1 LEU 41 -7.658 -8.808 1.770 322 HD13 LEU 41 3HD1 LEU 41 -7.392 -7.267 2.609 323 HD21 LEU 41 3HD2 LEU 41 -4.025 -8.980 1.884 324 HD22 LEU 41 1HD2 LEU 41 -4.951 -7.542 1.442 325 HD23 LEU 41 2HD2 LEU 41 -5.474 -9.138 0.889 326 H TYR 42 HN TYR 42 -2.555 -6.821 3.530 327 HA TYR 42 HA TYR 42 -2.604 -4.914 5.770 328 HB2 TYR 42 2HB TYR 42 -0.369 -4.007 5.087 329 HB3 TYR 42 1HB TYR 42 -0.277 -5.634 5.732 330 HD1 TYR 42 HD2 TYR 42 0.014 -3.600 2.628 331 HD2 TYR 42 HD1 TYR 42 0.535 -7.483 4.357 332 HE1 TYR 42 HE2 TYR 42 1.284 -4.319 0.651 333 HE2 TYR 42 HE1 TYR 42 1.809 -8.188 2.381 334 HH TYR 42 HH TYR 42 2.097 -7.601 0.075 335 H VAL 43 HN VAL 43 -3.418 -2.992 5.141 336 HA VAL 43 HA VAL 43 -4.116 -2.606 2.291 337 HB VAL 43 HB VAL 43 -6.369 -1.921 2.888 338 HG11 VAL 43 1HG1 VAL 43 -6.004 -4.358 2.611 339 HG12 VAL 43 2HG1 VAL 43 -7.333 -4.018 3.724 340 HG13 VAL 43 3HG1 VAL 43 -5.760 -4.520 4.352 341 HG21 VAL 43 3HG2 VAL 43 -5.972 -0.787 5.019 342 HG22 VAL 43 1HG2 VAL 43 -5.604 -2.324 5.809 343 HG23 VAL 43 2HG2 VAL 43 -7.241 -1.999 5.221 344 H ASP 44 HN ASP 44 -4.578 -0.380 1.732 345 HA ASP 44 HA ASP 44 -2.875 1.533 3.138 346 HB2 ASP 44 2HB ASP 44 -3.184 2.972 1.165 347 HB3 ASP 44 1HB ASP 44 -2.665 1.374 0.665 348 H ILE 45 HN ILE 45 -3.812 2.623 4.736 349 HA ILE 45 HA ILE 45 -6.515 2.605 5.394 350 HB ILE 45 HB ILE 45 -4.832 4.939 6.379 351 HG12 ILE 45 2HG1 ILE 45 -4.493 2.063 7.341 352 HG13 ILE 45 1HG1 ILE 45 -3.295 2.995 6.461 353 HG21 ILE 45 1HG2 ILE 45 -6.852 3.136 7.787 354 HG22 ILE 45 2HG2 ILE 45 -7.169 4.756 7.164 355 HG23 ILE 45 3HG2 ILE 45 -6.042 4.537 8.500 356 HD11 ILE 45 3HD1 ILE 45 -2.737 2.887 8.800 357 HD12 ILE 45 1HD1 ILE 45 -4.299 3.575 9.250 358 HD13 ILE 45 2HD1 ILE 45 -3.126 4.547 8.360 359 H VAL 46 HN VAL 46 -4.722 4.985 3.475 360 HA VAL 46 HA VAL 46 -6.477 7.110 3.233 361 HB VAL 46 HB VAL 46 -5.648 7.374 0.799 362 HG11 VAL 46 1HG1 VAL 46 -3.351 7.993 1.427 363 HG12 VAL 46 2HG1 VAL 46 -3.511 7.099 2.941 364 HG13 VAL 46 3HG1 VAL 46 -4.511 8.524 2.651 365 HG21 VAL 46 3HG2 VAL 46 -5.263 4.976 0.320 366 HG22 VAL 46 1HG2 VAL 46 -3.961 4.944 1.512 367 HG23 VAL 46 2HG2 VAL 46 -3.798 5.928 0.052 368 H SER 47 HN SER 47 -6.779 3.976 1.590 369 HA SER 47 HA SER 47 -9.416 4.784 0.474 370 HB2 SER 47 2HB SER 47 -7.610 2.485 -0.401 371 HB3 SER 47 1HB SER 47 -9.083 3.032 -1.204 372 HG SER 47 HG SER 47 -6.536 4.029 -1.309 373 H GLY 48 HN GLY 48 -7.813 2.776 2.721 374 HA2 GLY 48 2HA GLY 48 -8.266 0.959 4.003 375 HA3 GLY 48 1HA GLY 48 -9.945 1.456 3.899 376 H LYS 49 HN LYS 49 -7.766 0.295 1.294 377 HA LYS 49 HA LYS 49 -9.709 -1.900 0.748 378 HB2 LYS 49 2HB LYS 49 -8.305 -0.111 -1.285 379 HB3 LYS 49 1HB LYS 49 -9.362 -1.462 -1.686 380 HG2 LYS 49 2HG LYS 49 -11.262 -0.307 -0.603 381 HG3 LYS 49 1HG LYS 49 -10.211 1.032 -0.169 382 HD2 LYS 49 2HD LYS 49 -11.091 1.974 -2.067 383 HD3 LYS 49 1HD LYS 49 -9.827 1.044 -2.867 384 HE2 LYS 49 2HE LYS 49 -12.728 0.194 -2.533 385 HE3 LYS 49 1HE LYS 49 -11.993 0.797 -4.016 386 HZ1 LYS 49 3HZ LYS 49 -10.553 -1.140 -4.030 387 HZ2 LYS 49 1HZ LYS 49 -12.176 -1.597 -4.029 388 HZ3 LYS 49 2HZ LYS 49 -11.266 -1.713 -2.613 389 HA PRO 50 HA PRO 50 -6.426 -4.786 1.120 390 HB2 PRO 50 2HB PRO 50 -7.106 -6.753 -0.709 391 HB3 PRO 50 1HB PRO 50 -7.935 -6.503 0.832 392 HG2 PRO 50 2HG PRO 50 -8.703 -5.513 -1.912 393 HG3 PRO 50 1HG PRO 50 -9.730 -6.282 -0.684 394 HD2 PRO 50 2HD PRO 50 -9.750 -3.618 -1.019 395 HD3 PRO 50 1HD PRO 50 -9.868 -4.323 0.611 396 H LEU 51 HN LEU 51 -4.343 -4.584 0.547 397 HA LEU 51 HA LEU 51 -3.619 -3.859 -2.212 398 HB2 LEU 51 2HB LEU 51 -1.944 -3.843 0.330 399 HB3 LEU 51 1HB LEU 51 -1.362 -3.369 -1.266 400 HG LEU 51 HG LEU 51 -3.440 -1.947 0.432 401 HD11 LEU 51 1HD1 LEU 51 -1.859 -0.082 0.331 402 HD12 LEU 51 2HD1 LEU 51 -0.744 -1.054 -0.628 403 HD13 LEU 51 3HD1 LEU 51 -1.117 -1.515 1.036 404 HD21 LEU 51 3HD2 LEU 51 -3.694 -0.328 -1.420 405 HD22 LEU 51 1HD2 LEU 51 -4.245 -1.941 -1.885 406 HD23 LEU 51 2HD2 LEU 51 -2.684 -1.343 -2.455 407 H PHE 52 HN PHE 52 -2.596 -6.109 0.340 408 HA PHE 52 HA PHE 52 -2.431 -8.375 -1.311 409 HB2 PHE 52 2HB PHE 52 -0.386 -7.074 -2.179 410 HB3 PHE 52 1HB PHE 52 0.342 -7.294 -0.595 411 HD1 PHE 52 HD1 PHE 52 -1.311 -9.350 -3.277 412 HD2 PHE 52 HD2 PHE 52 1.829 -9.108 -0.375 413 HE1 PHE 52 HE1 PHE 52 -0.445 -11.525 -4.017 414 HE2 PHE 52 HE2 PHE 52 2.685 -11.279 -1.137 415 HZ PHE 52 HZ PHE 52 1.551 -12.496 -2.950 416 H THR 53 HN THR 53 -1.416 -10.234 -0.086 417 HA THR 53 HA THR 53 -2.538 -10.129 2.574 418 HB THR 53 HB THR 53 -2.998 -12.086 1.197 419 HG1 THR 53 HG1 THR 53 -3.065 -12.789 3.218 420 HG21 THR 53 3HG2 THR 53 -1.270 -13.733 0.597 421 HG22 THR 53 1HG2 THR 53 -0.027 -12.671 1.253 422 HG23 THR 53 2HG2 THR 53 -0.954 -12.170 -0.164 423 H SER 54 HN SER 54 -1.515 -10.361 4.478 424 HA SER 54 HA SER 54 1.289 -9.921 4.772 425 HB2 SER 54 2HB SER 54 -0.441 -9.148 6.415 426 HB3 SER 54 1HB SER 54 -0.748 -10.826 6.854 427 HG SER 54 HG SER 54 1.738 -10.722 7.199 428 H LYS 55 HN LYS 55 -0.629 -12.746 4.288 429 HA LYS 55 HA LYS 55 1.101 -14.662 5.503 430 HB2 LYS 55 2HB LYS 55 -0.978 -15.091 3.331 431 HB3 LYS 55 1HB LYS 55 -0.194 -16.359 4.268 432 HG2 LYS 55 2HG LYS 55 -1.215 -14.921 6.321 433 HG3 LYS 55 1HG LYS 55 -2.369 -14.451 5.069 434 HD2 LYS 55 2HD LYS 55 -3.206 -16.391 6.312 435 HD3 LYS 55 1HD LYS 55 -2.854 -16.858 4.642 436 HE2 LYS 55 2HE LYS 55 -0.667 -17.802 5.402 437 HE3 LYS 55 1HE LYS 55 -1.074 -17.378 7.066 438 HZ1 LYS 55 3HZ LYS 55 -2.554 -19.268 5.334 439 HZ2 LYS 55 1HZ LYS 55 -2.965 -18.859 6.921 440 HZ3 LYS 55 2HZ LYS 55 -1.523 -19.679 6.607 441 H ASP 56 HN ASP 56 1.165 -13.094 2.387 442 HA ASP 56 HA ASP 56 3.513 -14.742 1.597 443 HB2 ASP 56 2HB ASP 56 1.409 -13.454 -0.201 444 HB3 ASP 56 1HB ASP 56 2.921 -14.124 -0.801 445 H LYS 57 HN LYS 57 3.518 -12.432 3.307 446 HA LYS 57 HA LYS 57 4.916 -10.409 1.648 447 HB2 LYS 57 2HB LYS 57 4.899 -8.921 3.518 448 HB3 LYS 57 1HB LYS 57 3.288 -9.627 3.484 449 HG2 LYS 57 2HG LYS 57 3.835 -11.093 5.344 450 HG3 LYS 57 1HG LYS 57 5.523 -10.579 5.308 451 HD2 LYS 57 2HD LYS 57 4.877 -8.314 5.974 452 HD3 LYS 57 1HD LYS 57 3.165 -8.762 5.946 453 HE2 LYS 57 2HE LYS 57 4.186 -8.712 8.238 454 HE3 LYS 57 1HE LYS 57 3.462 -10.262 7.815 455 HZ1 LYS 57 3HZ LYS 57 5.600 -10.518 8.905 456 HZ2 LYS 57 1HZ LYS 57 6.362 -9.630 7.687 457 HZ3 LYS 57 2HZ LYS 57 5.655 -11.123 7.330 458 H PHE 58 HN PHE 58 7.147 -9.992 2.007 459 HA PHE 58 HA PHE 58 8.539 -11.702 3.991 460 HB2 PHE 58 2HB PHE 58 10.589 -11.548 2.700 461 HB3 PHE 58 1HB PHE 58 9.321 -12.175 1.667 462 HD1 PHE 58 HD1 PHE 58 8.068 -10.274 0.208 463 HD2 PHE 58 HD2 PHE 58 12.031 -9.957 1.789 464 HE1 PHE 58 HE1 PHE 58 8.634 -8.617 -1.515 465 HE2 PHE 58 HE2 PHE 58 12.585 -8.301 0.064 466 HZ PHE 58 HZ PHE 58 10.888 -7.632 -1.586 467 H ASP 59 HN ASP 59 9.728 -10.657 5.505 468 HA ASP 59 HA ASP 59 8.744 -8.142 6.284 469 HB2 ASP 59 2HB ASP 59 11.009 -9.837 7.399 470 HB3 ASP 59 1HB ASP 59 10.465 -8.346 8.162 471 H SER 60 HN SER 60 9.644 -6.139 6.392 472 HA SER 60 HA SER 60 11.333 -5.485 4.184 473 HB2 SER 60 2HB SER 60 9.445 -4.027 4.842 474 HB3 SER 60 1HB SER 60 10.244 -3.670 6.377 475 HG SER 60 HG SER 60 10.725 -2.684 3.863 476 H GLN 61 HN GLN 61 13.454 -5.697 4.237 477 HA GLN 61 HA GLN 61 15.099 -5.177 6.596 478 HB2 GLN 61 2HB GLN 61 16.989 -5.804 5.099 479 HB3 GLN 61 1HB GLN 61 15.732 -7.036 5.138 480 HG2 GLN 61 2HG GLN 61 14.904 -6.315 2.955 481 HG3 GLN 61 1HG GLN 61 16.073 -4.995 2.920 482 HE21 GLN 61 1HE2 GLN 61 15.699 -7.243 1.063 483 HE22 GLN 61 2HE2 GLN 61 17.228 -8.036 0.969 484 H CYS 62 HN CYS 62 13.460 -3.172 4.710 485 HA CYS 62 HA CYS 62 15.568 -1.101 4.460 486 HB2 CYS 62 2HB CYS 62 13.090 -1.456 2.727 487 HB3 CYS 62 1HB CYS 62 14.383 -0.274 2.493 488 HG CYS 62 HG CYS 62 14.141 -3.314 1.344 489 H GLY 63 HN GLY 63 12.996 -1.934 6.321 490 HA2 GLY 63 2HA GLY 63 11.883 -0.690 7.948 491 HA3 GLY 63 1HA GLY 63 12.371 0.800 7.155 492 H TRP 64 HN TRP 64 11.430 0.689 4.695 493 HA TRP 64 HA TRP 64 8.525 0.677 4.999 494 HB2 TRP 64 2HB TRP 64 10.338 1.840 2.850 495 HB3 TRP 64 1HB TRP 64 8.575 1.959 2.835 496 HD1 TRP 64 HD1 TRP 64 7.434 3.467 4.781 497 HE1 TRP 64 HE1 TRP 64 8.348 5.396 6.179 498 HE3 TRP 64 HE3 TRP 64 12.437 2.821 3.916 499 HZ2 TRP 64 HZ2 TRP 64 10.829 6.538 6.838 500 HZ3 TRP 64 HZ3 TRP 64 14.023 4.390 4.970 501 HH2 TRP 64 HH2 TRP 64 13.230 6.213 6.402 502 HA PRO 65 HA PRO 65 8.136 -3.412 3.185 503 HB2 PRO 65 2HB PRO 65 5.470 -2.259 2.331 504 HB3 PRO 65 1HB PRO 65 5.828 -3.803 3.119 505 HG2 PRO 65 2HG PRO 65 4.846 -1.798 4.549 506 HG3 PRO 65 1HG PRO 65 6.148 -2.806 5.220 507 HD2 PRO 65 2HD PRO 65 6.301 -0.034 4.051 508 HD3 PRO 65 1HD PRO 65 7.165 -0.724 5.446 509 H SER 66 HN SER 66 9.246 -3.885 1.380 510 HA SER 66 HA SER 66 8.567 -2.638 -1.225 511 HB2 SER 66 2HB SER 66 10.939 -2.330 -0.520 512 HB3 SER 66 1HB SER 66 11.138 -4.078 -0.396 513 HG SER 66 HG SER 66 11.717 -2.790 -2.454 514 H PHE 67 HN PHE 67 7.746 -3.967 -2.829 515 HA PHE 67 HA PHE 67 7.777 -6.902 -2.495 516 HB2 PHE 67 2HB PHE 67 5.240 -5.220 -2.749 517 HB3 PHE 67 1HB PHE 67 5.281 -6.967 -2.990 518 HD1 PHE 67 HD2 PHE 67 6.179 -8.422 -1.053 519 HD2 PHE 67 HD1 PHE 67 4.969 -4.349 -0.533 520 HE1 PHE 67 HE2 PHE 67 6.014 -8.774 1.368 521 HE2 PHE 67 HE1 PHE 67 4.813 -4.725 1.890 522 HZ PHE 67 HZ PHE 67 5.336 -6.927 2.841 523 H THR 68 HN THR 68 6.804 -8.024 -4.418 524 HA THR 68 HA THR 68 7.720 -6.693 -6.905 525 HB THR 68 HB THR 68 7.926 -8.971 -7.859 526 HG1 THR 68 HG1 THR 68 7.752 -10.500 -5.701 527 HG21 THR 68 3HG2 THR 68 9.790 -9.805 -6.460 528 HG22 THR 68 1HG2 THR 68 9.300 -8.720 -5.154 529 HG23 THR 68 2HG2 THR 68 9.894 -8.058 -6.679 530 H LYS 69 HN LYS 69 4.847 -7.919 -5.350 531 HA LYS 69 HA LYS 69 3.168 -7.311 -7.616 532 HB2 LYS 69 2HB LYS 69 2.224 -9.578 -7.936 533 HB3 LYS 69 1HB LYS 69 3.930 -9.505 -8.349 534 HG2 LYS 69 2HG LYS 69 4.466 -10.556 -6.132 535 HG3 LYS 69 1HG LYS 69 2.734 -10.712 -5.828 536 HD2 LYS 69 2HD LYS 69 3.526 -12.843 -6.631 537 HD3 LYS 69 1HD LYS 69 2.565 -12.119 -7.925 538 HE2 LYS 69 2HE LYS 69 4.609 -13.122 -8.829 539 HE3 LYS 69 1HE LYS 69 4.661 -11.368 -9.032 540 HZ1 LYS 69 3HZ LYS 69 6.013 -11.277 -6.975 541 HZ2 LYS 69 1HZ LYS 69 6.767 -12.119 -8.228 542 HZ3 LYS 69 2HZ LYS 69 6.057 -12.963 -6.955 543 HA PRO 70 HA PRO 70 0.164 -7.181 -4.234 544 HB2 PRO 70 2HB PRO 70 -0.482 -4.565 -4.334 545 HB3 PRO 70 1HB PRO 70 0.929 -5.138 -3.432 546 HG2 PRO 70 2HG PRO 70 0.819 -3.707 -6.045 547 HG3 PRO 70 1HG PRO 70 2.093 -3.693 -4.815 548 HD2 PRO 70 2HD PRO 70 2.013 -5.268 -7.229 549 HD3 PRO 70 1HD PRO 70 3.241 -5.321 -5.948 550 H ILE 71 HN ILE 71 -2.101 -6.703 -4.483 551 HA ILE 71 HA ILE 71 -3.370 -7.744 -6.660 552 HB ILE 71 HB ILE 71 -4.532 -5.803 -4.616 553 HG12 ILE 71 2HG1 ILE 71 -4.662 -8.856 -4.592 554 HG13 ILE 71 1HG1 ILE 71 -3.443 -7.935 -3.719 555 HG21 ILE 71 1HG2 ILE 71 -6.032 -7.716 -6.449 556 HG22 ILE 71 2HG2 ILE 71 -6.051 -5.953 -6.546 557 HG23 ILE 71 3HG2 ILE 71 -6.758 -6.765 -5.147 558 HD11 ILE 71 3HD1 ILE 71 -6.423 -7.791 -3.246 559 HD12 ILE 71 1HD1 ILE 71 -5.188 -6.870 -2.373 560 HD13 ILE 71 2HD1 ILE 71 -5.237 -8.630 -2.245 561 H GLU 72 HN GLU 72 -4.099 -7.048 -8.580 562 HA GLU 72 HA GLU 72 -3.011 -4.695 -9.768 563 HB2 GLU 72 2HB GLU 72 -5.127 -6.572 -10.888 564 HB3 GLU 72 1HB GLU 72 -4.116 -5.469 -11.818 565 HG2 GLU 72 2HG GLU 72 -3.186 -7.911 -10.278 566 HG3 GLU 72 1HG GLU 72 -3.340 -7.779 -12.029 567 H GLU 73 HN GLU 73 -5.909 -5.164 -8.058 568 HA GLU 73 HA GLU 73 -7.663 -3.448 -9.586 569 HB2 GLU 73 2HB GLU 73 -8.005 -4.499 -6.737 570 HB3 GLU 73 1HB GLU 73 -9.275 -3.836 -7.765 571 HG2 GLU 73 2HG GLU 73 -7.743 -6.414 -8.227 572 HG3 GLU 73 1HG GLU 73 -9.408 -6.276 -7.667 573 H GLU 74 HN GLU 74 -5.756 -3.185 -6.607 574 HA GLU 74 HA GLU 74 -6.750 -0.470 -6.063 575 HB2 GLU 74 2HB GLU 74 -4.961 -2.256 -4.358 576 HB3 GLU 74 1HB GLU 74 -5.789 -0.786 -3.844 577 HG2 GLU 74 2HG GLU 74 -6.996 -3.481 -4.509 578 HG3 GLU 74 1HG GLU 74 -7.039 -2.615 -2.972 579 H VAL 75 HN VAL 75 -4.190 -1.893 -7.650 580 HA VAL 75 HA VAL 75 -2.257 0.241 -6.981 581 HB VAL 75 HB VAL 75 -1.681 -2.656 -7.762 582 HG11 VAL 75 1HG1 VAL 75 0.675 -2.066 -7.208 583 HG12 VAL 75 2HG1 VAL 75 0.182 -0.386 -6.971 584 HG13 VAL 75 3HG1 VAL 75 0.058 -1.124 -8.569 585 HG21 VAL 75 3HG2 VAL 75 -1.371 -1.272 -5.074 586 HG22 VAL 75 1HG2 VAL 75 -0.881 -2.926 -5.434 587 HG23 VAL 75 2HG2 VAL 75 -2.586 -2.486 -5.465 588 H GLU 76 HN GLU 76 -1.943 1.535 -8.634 589 HA GLU 76 HA GLU 76 -1.831 0.499 -11.420 590 HB2 GLU 76 2HB GLU 76 -3.173 3.099 -10.531 591 HB3 GLU 76 1HB GLU 76 -2.807 2.704 -12.207 592 HG2 GLU 76 2HG GLU 76 -4.330 0.766 -12.085 593 HG3 GLU 76 1HG GLU 76 -4.692 1.155 -10.402 594 H GLU 77 HN GLU 77 0.117 0.900 -12.258 595 HA GLU 77 HA GLU 77 1.991 2.593 -10.834 596 HB2 GLU 77 2HB GLU 77 3.733 1.635 -12.275 597 HB3 GLU 77 1HB GLU 77 2.774 0.378 -11.521 598 HG2 GLU 77 2HG GLU 77 2.376 1.281 -14.387 599 HG3 GLU 77 1HG GLU 77 3.485 -0.007 -13.931 600 H LYS 78 HN LYS 78 2.161 4.657 -11.272 601 HA LYS 78 HA LYS 78 1.394 5.835 -13.856 602 HB2 LYS 78 2HB LYS 78 0.099 6.556 -11.864 603 HB3 LYS 78 1HB LYS 78 1.570 7.016 -11.028 604 HG2 LYS 78 2HG LYS 78 0.784 8.370 -13.618 605 HG3 LYS 78 1HG LYS 78 0.050 8.854 -12.088 606 HD2 LYS 78 2HD LYS 78 2.337 9.326 -11.180 607 HD3 LYS 78 1HD LYS 78 3.022 8.924 -12.758 608 HE2 LYS 78 2HE LYS 78 1.059 11.173 -12.214 609 HE3 LYS 78 1HE LYS 78 2.797 11.356 -12.436 610 HZ1 LYS 78 3HZ LYS 78 2.562 10.515 -14.687 611 HZ2 LYS 78 1HZ LYS 78 1.592 11.878 -14.442 612 HZ3 LYS 78 2HZ LYS 78 0.890 10.344 -14.475 613 H LEU 79 HN LEU 79 3.186 6.041 -15.090 614 HA LEU 79 HA LEU 79 5.853 6.401 -14.049 615 HB2 LEU 79 2HB LEU 79 5.431 4.917 -15.965 616 HB3 LEU 79 1HB LEU 79 4.756 6.247 -16.886 617 HG LEU 79 HG LEU 79 6.994 7.342 -16.947 618 HD11 LEU 79 1HD1 LEU 79 8.007 4.862 -15.544 619 HD12 LEU 79 2HD1 LEU 79 7.924 6.488 -14.866 620 HD13 LEU 79 3HD1 LEU 79 9.009 6.156 -16.218 621 HD21 LEU 79 3HD2 LEU 79 7.031 4.488 -17.964 622 HD22 LEU 79 1HD2 LEU 79 8.069 5.804 -18.519 623 HD23 LEU 79 2HD2 LEU 79 6.331 5.879 -18.794 624 H ASP 80 HN ASP 80 7.091 8.219 -14.225 625 HA ASP 80 HA ASP 80 6.277 10.551 -15.744 626 HB2 ASP 80 2HB ASP 80 6.322 12.133 -13.927 627 HB3 ASP 80 1HB ASP 80 5.219 10.856 -13.445 628 H THR 81 HN THR 81 8.090 12.234 -15.625 629 HA THR 81 HA THR 81 10.739 11.198 -14.820 630 HB THR 81 HB THR 81 10.300 12.475 -17.574 631 HG1 THR 81 HG1 THR 81 10.362 9.766 -16.752 632 HG21 THR 81 3HG2 THR 81 12.581 11.668 -18.079 633 HG22 THR 81 1HG2 THR 81 12.717 10.982 -16.462 634 HG23 THR 81 2HG2 THR 81 12.615 12.732 -16.671 635 H SER 82 HN SER 82 9.222 12.864 -13.368 636 HA SER 82 HA SER 82 9.366 15.630 -14.047 637 HB2 SER 82 2HB SER 82 7.544 14.725 -12.661 638 HB3 SER 82 1HB SER 82 8.686 14.307 -11.384 639 HG SER 82 HG SER 82 8.341 16.949 -12.369 640 H HIS 83 HN HIS 83 11.288 13.569 -11.837 641 HA HIS 83 HA HIS 83 13.048 15.898 -11.261 642 HB2 HIS 83 2HB HIS 83 12.281 13.643 -9.362 643 HB3 HIS 83 1HB HIS 83 13.494 14.874 -9.018 644 HD1 HIS 83 HD1 HIS 83 12.651 17.229 -8.384 645 HD2 HIS 83 HD2 HIS 83 9.590 14.572 -9.301 646 HE1 HIS 83 HE1 HIS 83 10.525 18.382 -7.708 647 HE2 HIS 83 HE2 HIS 83 8.697 16.731 -8.197 648 H GLY 84 HN GLY 84 14.090 15.101 -13.247 649 HA2 GLY 84 2HA GLY 84 16.197 14.670 -14.016 650 HA3 GLY 84 1HA GLY 84 16.641 14.153 -12.403 651 H MET 85 HN MET 85 14.190 12.135 -12.993 652 HA MET 85 HA MET 85 15.724 10.077 -14.444 653 HB2 MET 85 2HB MET 85 14.693 9.833 -11.572 654 HB3 MET 85 1HB MET 85 15.170 8.450 -12.548 655 HG2 MET 85 2HG MET 85 17.023 10.706 -11.767 656 HG3 MET 85 1HG MET 85 16.888 9.165 -10.923 657 HE1 MET 85 3HE MET 85 19.474 8.587 -11.201 658 HE2 MET 85 1HE MET 85 19.676 10.192 -11.938 659 HE3 MET 85 2HE MET 85 20.330 8.762 -12.729 660 H ILE 86 HN ILE 86 14.381 8.395 -15.301 661 HA ILE 86 HA ILE 86 11.525 8.802 -15.320 662 HB ILE 86 HB ILE 86 11.312 6.716 -16.573 663 HG12 ILE 86 2HG1 ILE 86 13.736 5.612 -17.259 664 HG13 ILE 86 1HG1 ILE 86 14.103 6.111 -15.617 665 HG21 ILE 86 1HG2 ILE 86 12.644 7.285 -18.576 666 HG22 ILE 86 2HG2 ILE 86 13.642 8.366 -17.603 667 HG23 ILE 86 3HG2 ILE 86 11.925 8.716 -17.827 668 HD11 ILE 86 3HD1 ILE 86 12.258 4.736 -14.788 669 HD12 ILE 86 1HD1 ILE 86 13.412 3.789 -15.726 670 HD13 ILE 86 2HD1 ILE 86 11.868 4.252 -16.441 671 H ARG 87 HN ARG 87 10.097 7.981 -13.879 672 HA ARG 87 HA ARG 87 10.829 6.099 -11.808 673 HB2 ARG 87 2HB ARG 87 10.162 7.906 -10.011 674 HB3 ARG 87 1HB ARG 87 11.803 7.908 -10.639 675 HG2 ARG 87 2HG ARG 87 11.502 9.873 -11.860 676 HG3 ARG 87 1HG ARG 87 9.751 9.673 -11.963 677 HD2 ARG 87 2HD ARG 87 11.170 10.270 -9.346 678 HD3 ARG 87 1HD ARG 87 10.587 11.535 -10.437 679 HE ARG 87 HE ARG 87 8.412 9.958 -10.124 680 HH11 ARG 87 1HH1 ARG 87 10.490 11.493 -7.749 681 HH12 ARG 87 2HH1 ARG 87 9.188 11.782 -6.642 682 HH21 ARG 87 1HH2 ARG 87 6.747 10.344 -8.676 683 HH22 ARG 87 2HH2 ARG 87 7.076 11.143 -7.177 684 H THR 88 HN THR 88 8.986 5.467 -10.608 685 HA THR 88 HA THR 88 6.386 6.193 -11.821 686 HB THR 88 HB THR 88 7.364 3.351 -11.283 687 HG1 THR 88 HG1 THR 88 7.885 4.938 -13.333 688 HG21 THR 88 3HG2 THR 88 4.865 4.307 -12.727 689 HG22 THR 88 1HG2 THR 88 4.892 3.596 -11.106 690 HG23 THR 88 2HG2 THR 88 5.365 2.630 -12.504 691 H GLU 89 HN GLU 89 4.765 6.347 -10.411 692 HA GLU 89 HA GLU 89 5.104 5.535 -7.573 693 HB2 GLU 89 2HB GLU 89 3.128 7.569 -8.728 694 HB3 GLU 89 1HB GLU 89 3.371 7.189 -7.019 695 HG2 GLU 89 2HG GLU 89 5.783 7.963 -7.333 696 HG3 GLU 89 1HG GLU 89 5.283 8.598 -8.896 697 H VAL 90 HN VAL 90 3.060 4.758 -6.490 698 HA VAL 90 HA VAL 90 1.108 3.517 -8.342 699 HB VAL 90 HB VAL 90 0.981 1.510 -6.716 700 HG11 VAL 90 1HG1 VAL 90 1.963 1.321 -8.955 701 HG12 VAL 90 2HG1 VAL 90 2.890 0.367 -7.795 702 HG13 VAL 90 3HG1 VAL 90 3.507 1.925 -8.346 703 HG21 VAL 90 3HG2 VAL 90 2.243 2.502 -4.829 704 HG22 VAL 90 1HG2 VAL 90 3.693 2.596 -5.836 705 HG23 VAL 90 2HG2 VAL 90 3.020 1.022 -5.395 706 H ARG 91 HN ARG 91 -0.833 4.071 -7.970 707 HA ARG 91 HA ARG 91 -2.128 2.889 -5.837 708 HB2 ARG 91 2HB ARG 91 -1.753 4.844 -4.438 709 HB3 ARG 91 1HB ARG 91 -2.280 5.929 -5.700 710 HG2 ARG 91 2HG ARG 91 -3.968 5.822 -3.949 711 HG3 ARG 91 1HG ARG 91 -4.606 5.127 -5.436 712 HD2 ARG 91 2HD ARG 91 -3.713 2.864 -4.258 713 HD3 ARG 91 1HD ARG 91 -4.029 3.819 -2.808 714 HE ARG 91 HE ARG 91 -6.279 4.085 -4.381 715 HH11 ARG 91 1HH1 ARG 91 -4.676 1.443 -2.711 716 HH12 ARG 91 2HH1 ARG 91 -6.077 0.430 -2.724 717 HH21 ARG 91 1HH2 ARG 91 -8.091 2.744 -4.402 718 HH22 ARG 91 2HH2 ARG 91 -8.009 1.155 -3.718 719 H SER 92 HN SER 92 -4.575 3.124 -6.204 720 HA SER 92 HA SER 92 -5.305 2.855 -8.933 721 HB2 SER 92 2HB SER 92 -6.603 1.867 -7.013 722 HB3 SER 92 1HB SER 92 -7.166 3.488 -6.592 723 HG SER 92 HG SER 92 -7.545 2.322 -9.160 724 H ARG 93 HN ARG 93 -6.857 4.341 -10.124 725 HA ARG 93 HA ARG 93 -5.154 6.376 -10.882 726 HB2 ARG 93 2HB ARG 93 -6.723 5.316 -12.416 727 HB3 ARG 93 1HB ARG 93 -8.092 6.055 -11.588 728 HG2 ARG 93 2HG ARG 93 -7.358 8.287 -12.297 729 HG3 ARG 93 1HG ARG 93 -5.921 7.600 -13.055 730 HD2 ARG 93 2HD ARG 93 -8.757 6.926 -13.887 731 HD3 ARG 93 1HD ARG 93 -7.791 8.204 -14.633 732 HE ARG 93 HE ARG 93 -6.923 5.367 -14.620 733 HH11 ARG 93 1HH1 ARG 93 -7.491 8.364 -16.409 734 HH12 ARG 93 2HH1 ARG 93 -6.920 7.710 -17.910 735 HH21 ARG 93 1HH2 ARG 93 -6.173 4.553 -16.602 736 HH22 ARG 93 2HH2 ARG 93 -6.177 5.552 -18.018 737 H THR 94 HN THR 94 -8.426 7.050 -9.455 738 HA THR 94 HA THR 94 -8.306 9.777 -9.264 739 HB THR 94 HB THR 94 -10.315 8.497 -8.701 740 HG1 THR 94 HG1 THR 94 -11.043 9.936 -7.237 741 HG21 THR 94 3HG2 THR 94 -9.328 6.667 -7.359 742 HG22 THR 94 1HG2 THR 94 -10.625 7.475 -6.474 743 HG23 THR 94 2HG2 THR 94 -8.943 7.817 -6.073 744 H ALA 95 HN ALA 95 -6.577 7.549 -7.217 745 HA ALA 95 HA ALA 95 -5.651 9.698 -5.391 746 HB1 ALA 95 3HB ALA 95 -5.579 7.999 -3.608 747 HB2 ALA 95 1HB ALA 95 -6.191 6.771 -4.733 748 HB3 ALA 95 2HB ALA 95 -7.199 8.149 -4.283 749 H ASP 96 HN ASP 96 -4.503 8.459 -7.945 750 HA ASP 96 HA ASP 96 -2.902 6.318 -7.865 751 HB2 ASP 96 2HB ASP 96 -1.825 7.128 -9.917 752 HB3 ASP 96 1HB ASP 96 -3.561 7.423 -9.914 753 H SER 97 HN SER 97 -1.780 8.624 -5.779 754 HA SER 97 HA SER 97 0.990 7.660 -6.037 755 HB2 SER 97 2HB SER 97 1.668 9.807 -4.924 756 HB3 SER 97 1HB SER 97 0.873 10.068 -6.476 757 HG SER 97 HG SER 97 -0.734 11.028 -5.501 758 H HIS 98 HN HIS 98 -1.762 7.225 -4.161 759 HA HIS 98 HA HIS 98 -0.803 8.127 -1.583 760 HB2 HIS 98 2HB HIS 98 -3.351 6.775 -2.505 761 HB3 HIS 98 1HB HIS 98 -3.027 7.018 -0.796 762 HD1 HIS 98 HD1 HIS 98 -1.781 9.831 -2.796 763 HD2 HIS 98 HD2 HIS 98 -5.383 8.714 -1.021 764 HE1 HIS 98 HE1 HIS 98 -3.164 11.924 -2.695 765 HE2 HIS 98 HE2 HIS 98 -5.385 11.179 -1.786 766 H LEU 99 HN LEU 99 -0.576 5.014 -3.196 767 HA LEU 99 HA LEU 99 -0.089 3.492 -0.804 768 HB2 LEU 99 2HB LEU 99 1.033 2.920 -3.574 769 HB3 LEU 99 1HB LEU 99 0.853 1.774 -2.254 770 HG LEU 99 HG LEU 99 -1.423 3.079 -3.772 771 HD11 LEU 99 1HD1 LEU 99 -0.147 1.434 -5.126 772 HD12 LEU 99 2HD1 LEU 99 -1.825 0.980 -4.837 773 HD13 LEU 99 3HD1 LEU 99 -0.524 0.196 -3.920 774 HD21 LEU 99 3HD2 LEU 99 -1.476 0.953 -1.647 775 HD22 LEU 99 1HD2 LEU 99 -2.854 1.471 -2.625 776 HD23 LEU 99 2HD2 LEU 99 -2.087 2.606 -1.514 777 H GLY 100 HN GLY 100 2.023 4.975 -3.263 778 HA2 GLY 100 2HA GLY 100 4.184 5.802 -1.863 779 HA3 GLY 100 1HA GLY 100 4.409 4.050 -1.913 780 H HIS 101 HN HIS 101 6.232 4.293 -3.138 781 HA HIS 101 HA HIS 101 5.937 5.096 -5.975 782 HB2 HIS 101 2HB HIS 101 8.403 5.336 -4.171 783 HB3 HIS 101 1HB HIS 101 8.420 5.583 -5.918 784 HD1 HIS 101 HD1 HIS 101 6.632 7.020 -2.896 785 HD2 HIS 101 HD2 HIS 101 8.031 8.163 -6.629 786 HE1 HIS 101 HE1 HIS 101 6.179 9.476 -3.050 787 HE2 HIS 101 HE2 HIS 101 6.757 10.055 -5.420 788 H VAL 102 HN VAL 102 7.420 3.860 -7.386 789 HA VAL 102 HA VAL 102 8.335 1.286 -6.274 790 HB VAL 102 HB VAL 102 7.714 0.053 -8.303 791 HG11 VAL 102 1HG1 VAL 102 5.337 1.582 -7.184 792 HG12 VAL 102 2HG1 VAL 102 6.078 0.162 -6.468 793 HG13 VAL 102 3HG1 VAL 102 5.267 0.028 -8.021 794 HG21 VAL 102 3HG2 VAL 102 6.269 1.072 -10.031 795 HG22 VAL 102 1HG2 VAL 102 7.856 1.839 -9.938 796 HG23 VAL 102 2HG2 VAL 102 6.443 2.648 -9.243 797 H PHE 103 HN PHE 103 10.323 0.727 -6.862 798 HA PHE 103 HA PHE 103 11.893 2.705 -8.341 799 HB2 PHE 103 2HB PHE 103 12.387 2.001 -5.870 800 HB3 PHE 103 1HB PHE 103 12.995 0.498 -6.551 801 HD1 PHE 103 HD2 PHE 103 13.496 3.717 -8.324 802 HD2 PHE 103 HD1 PHE 103 15.234 0.897 -5.608 803 HE1 PHE 103 HE2 PHE 103 15.684 4.806 -8.584 804 HE2 PHE 103 HE1 PHE 103 17.411 2.006 -5.862 805 HZ PHE 103 HZ PHE 103 17.639 3.959 -7.346 806 H ASN 104 HN ASN 104 12.503 2.208 -10.319 807 HA ASN 104 HA ASN 104 11.997 -0.369 -11.515 808 HB2 ASN 104 2HB ASN 104 11.566 1.875 -12.618 809 HB3 ASN 104 1HB ASN 104 13.303 2.097 -12.749 810 HD21 ASN 104 1HD2 ASN 104 11.585 -0.983 -13.278 811 HD22 ASN 104 2HD2 ASN 104 11.919 -1.060 -14.970 812 H ASP 105 HN ASP 105 14.439 0.555 -9.607 813 HA ASP 105 HA ASP 105 16.605 -0.894 -11.021 814 HB2 ASP 105 2HB ASP 105 17.048 1.459 -10.220 815 HB3 ASP 105 1HB ASP 105 16.751 0.928 -8.571 816 H GLY 106 HN GLY 106 14.269 -2.126 -9.811 817 HA2 GLY 106 2HA GLY 106 15.510 -3.773 -7.681 818 HA3 GLY 106 1HA GLY 106 13.853 -3.195 -7.552 819 HA PRO 107 HA PRO 107 14.151 -7.186 -10.234 820 HB2 PRO 107 2HB PRO 107 14.197 -9.248 -8.465 821 HB3 PRO 107 1HB PRO 107 15.677 -8.418 -8.964 822 HG2 PRO 107 2HG PRO 107 14.066 -8.044 -6.440 823 HG3 PRO 107 1HG PRO 107 15.827 -8.170 -6.629 824 HD2 PRO 107 2HD PRO 107 14.495 -5.768 -6.378 825 HD3 PRO 107 1HD PRO 107 16.048 -5.938 -7.226 826 H GLY 108 HN GLY 108 12.160 -7.565 -11.011 827 HA2 GLY 108 2HA GLY 108 10.096 -8.795 -9.414 828 HA3 GLY 108 1HA GLY 108 9.690 -7.154 -9.919 829 HA PRO 109 HA PRO 109 8.687 -10.364 -13.348 830 HB2 PRO 109 2HB PRO 109 5.940 -9.991 -13.383 831 HB3 PRO 109 1HB PRO 109 6.734 -11.205 -12.374 832 HG2 PRO 109 2HG PRO 109 5.782 -8.447 -11.615 833 HG3 PRO 109 1HG PRO 109 5.581 -9.976 -10.734 834 HD2 PRO 109 2HD PRO 109 7.491 -8.189 -10.041 835 HD3 PRO 109 1HD PRO 109 7.773 -9.942 -9.908 836 H ASN 110 HN ASN 110 7.510 -7.167 -12.552 837 HA ASN 110 HA ASN 110 7.437 -6.261 -15.352 838 HB2 ASN 110 2HB ASN 110 6.158 -4.344 -14.443 839 HB3 ASN 110 1HB ASN 110 5.405 -5.876 -14.024 840 HD21 ASN 110 1HD2 ASN 110 5.008 -3.365 -12.733 841 HD22 ASN 110 2HD2 ASN 110 5.486 -3.551 -11.086 842 H GLY 111 HN GLY 111 9.803 -6.561 -13.206 843 HA2 GLY 111 2HA GLY 111 11.823 -5.562 -12.850 844 HA3 GLY 111 1HA GLY 111 11.449 -4.473 -14.174 845 H LEU 112 HN LEU 112 9.214 -4.484 -11.538 846 HA LEU 112 HA LEU 112 10.290 -1.911 -10.528 847 HB2 LEU 112 2HB LEU 112 7.404 -2.860 -10.723 848 HB3 LEU 112 1HB LEU 112 7.903 -1.402 -9.875 849 HG LEU 112 HG LEU 112 8.224 -1.887 -12.871 850 HD11 LEU 112 1HD1 LEU 112 6.270 -0.096 -11.396 851 HD12 LEU 112 2HD1 LEU 112 5.879 -1.565 -12.291 852 HD13 LEU 112 3HD1 LEU 112 6.495 -0.156 -13.146 853 HD21 LEU 112 3HD2 LEU 112 8.853 0.578 -11.209 854 HD22 LEU 112 1HD2 LEU 112 8.886 0.497 -12.977 855 HD23 LEU 112 2HD2 LEU 112 10.016 -0.467 -12.032 856 H ARG 113 HN ARG 113 9.943 -1.459 -8.282 857 HA ARG 113 HA ARG 113 9.331 -3.768 -6.537 858 HB2 ARG 113 2HB ARG 113 11.845 -2.135 -6.566 859 HB3 ARG 113 1HB ARG 113 11.173 -2.466 -4.971 860 HG2 ARG 113 2HG ARG 113 11.882 -4.574 -7.040 861 HG3 ARG 113 1HG ARG 113 12.854 -4.142 -5.629 862 HD2 ARG 113 2HD ARG 113 10.989 -4.828 -4.149 863 HD3 ARG 113 1HD ARG 113 10.047 -5.301 -5.564 864 HE ARG 113 HE ARG 113 11.627 -7.058 -5.975 865 HH11 ARG 113 1HH1 ARG 113 12.025 -5.505 -2.850 866 HH12 ARG 113 2HH1 ARG 113 12.822 -6.875 -2.144 867 HH21 ARG 113 1HH2 ARG 113 12.651 -8.835 -5.060 868 HH22 ARG 113 2HH2 ARG 113 13.172 -8.779 -3.406 869 H TYR 114 HN TYR 114 7.559 -3.287 -5.610 870 HA TYR 114 HA TYR 114 6.481 -0.683 -5.359 871 HB2 TYR 114 2HB TYR 114 5.484 -3.381 -4.349 872 HB3 TYR 114 1HB TYR 114 4.538 -1.892 -4.315 873 HD1 TYR 114 HD2 TYR 114 6.281 -4.240 -6.687 874 HD2 TYR 114 HD1 TYR 114 3.265 -1.246 -6.234 875 HE1 TYR 114 HE2 TYR 114 5.532 -4.640 -8.997 876 HE2 TYR 114 HE1 TYR 114 2.528 -1.641 -8.540 877 HH TYR 114 HH TYR 114 3.420 -2.535 -10.651 878 H CYS 115 HN CYS 115 7.622 0.569 -4.039 879 HA CYS 115 HA CYS 115 8.182 -0.267 -1.262 880 HB2 CYS 115 2HB CYS 115 10.061 0.753 -2.537 881 HB3 CYS 115 1HB CYS 115 9.106 2.213 -2.792 882 HG CYS 115 HG CYS 115 9.584 1.240 0.410 883 H ILE 116 HN ILE 116 6.239 -0.134 -0.325 884 HA ILE 116 HA ILE 116 4.513 2.216 -0.630 885 HB ILE 116 HB ILE 116 3.886 -0.373 0.883 886 HG12 ILE 116 2HG1 ILE 116 4.521 -1.075 -1.391 887 HG13 ILE 116 1HG1 ILE 116 2.784 -1.253 -1.184 888 HG21 ILE 116 1HG2 ILE 116 2.063 1.673 -0.442 889 HG22 ILE 116 2HG2 ILE 116 2.365 1.519 1.291 890 HG23 ILE 116 3HG2 ILE 116 1.536 0.226 0.423 891 HD11 ILE 116 3HD1 ILE 116 4.170 0.991 -2.658 892 HD12 ILE 116 1HD1 ILE 116 2.423 0.788 -2.472 893 HD13 ILE 116 2HD1 ILE 116 3.357 -0.401 -3.378 894 H ASN 117 HN ASN 117 4.194 3.619 1.175 895 HA ASN 117 HA ASN 117 6.272 3.482 3.171 896 HB2 ASN 117 2HB ASN 117 5.440 5.689 3.881 897 HB3 ASN 117 1HB ASN 117 5.670 5.644 2.138 898 HD21 ASN 117 1HD2 ASN 117 3.825 5.637 0.787 899 HD22 ASN 117 2HD2 ASN 117 2.280 6.128 1.374 900 H SER 118 HN SER 118 6.060 2.903 5.259 901 HA SER 118 HA SER 118 4.132 1.034 6.028 902 HB2 SER 118 2HB SER 118 5.275 1.299 8.321 903 HB3 SER 118 1HB SER 118 6.334 0.915 6.964 904 HG SER 118 HG SER 118 6.605 2.919 8.597 905 H ALA 119 HN ALA 119 4.219 4.474 6.462 906 HA ALA 119 HA ALA 119 2.407 4.715 8.653 907 HB1 ALA 119 3HB ALA 119 3.280 6.767 6.611 908 HB2 ALA 119 1HB ALA 119 4.087 6.421 8.140 909 HB3 ALA 119 2HB ALA 119 2.462 7.112 8.136 910 H ALA 120 HN ALA 120 1.971 4.503 5.146 911 HA ALA 120 HA ALA 120 -0.792 5.433 5.231 912 HB1 ALA 120 3HB ALA 120 0.733 4.159 2.934 913 HB2 ALA 120 1HB ALA 120 0.539 5.894 3.209 914 HB3 ALA 120 2HB ALA 120 -0.870 4.898 2.829 915 H LEU 121 HN LEU 121 0.659 2.614 6.228 916 HA LEU 121 HA LEU 121 -1.406 0.808 5.132 917 HB2 LEU 121 2HB LEU 121 1.352 0.165 6.259 918 HB3 LEU 121 1HB LEU 121 0.220 -0.996 5.568 919 HG LEU 121 HG LEU 121 1.637 1.243 4.084 920 HD11 LEU 121 1HD1 LEU 121 1.943 -1.763 3.890 921 HD12 LEU 121 2HD1 LEU 121 3.103 -0.619 4.576 922 HD13 LEU 121 3HD1 LEU 121 2.740 -0.572 2.854 923 HD21 LEU 121 3HD2 LEU 121 -0.604 1.005 3.186 924 HD22 LEU 121 1HD2 LEU 121 -0.405 -0.743 3.036 925 HD23 LEU 121 2HD2 LEU 121 0.563 0.352 2.046 926 H ARG 122 HN ARG 122 -2.266 -0.784 6.399 927 HA ARG 122 HA ARG 122 -1.675 -1.019 9.235 928 HB2 ARG 122 2HB ARG 122 -4.085 -0.973 9.902 929 HB3 ARG 122 1HB ARG 122 -3.515 0.593 9.333 930 HG2 ARG 122 2HG ARG 122 -4.649 0.287 7.197 931 HG3 ARG 122 1HG ARG 122 -5.117 -1.357 7.638 932 HD2 ARG 122 2HD ARG 122 -6.029 1.132 9.129 933 HD3 ARG 122 1HD ARG 122 -6.959 0.334 7.856 934 HE ARG 122 HE ARG 122 -6.283 -0.820 10.493 935 HH11 ARG 122 1HH1 ARG 122 -8.318 -0.847 7.606 936 HH12 ARG 122 2HH1 ARG 122 -9.356 -2.094 8.214 937 HH21 ARG 122 1HH2 ARG 122 -7.658 -2.483 11.235 938 HH22 ARG 122 2HH2 ARG 122 -8.997 -2.999 10.254 939 H PHE 123 HN PHE 123 -1.690 -3.129 9.764 940 HA PHE 123 HA PHE 123 -2.344 -5.126 7.793 941 HB2 PHE 123 2HB PHE 123 -1.281 -6.712 9.198 942 HB3 PHE 123 1HB PHE 123 -0.370 -5.242 9.501 943 HD1 PHE 123 HD1 PHE 123 -1.054 -3.844 11.641 944 HD2 PHE 123 HD2 PHE 123 -2.187 -7.932 11.020 945 HE1 PHE 123 HE1 PHE 123 -1.511 -4.099 14.048 946 HE2 PHE 123 HE2 PHE 123 -2.629 -8.170 13.425 947 HZ PHE 123 HZ PHE 123 -2.299 -6.257 14.937 948 H VAL 124 HN VAL 124 -4.170 -6.363 7.767 949 HA VAL 124 HA VAL 124 -6.132 -6.060 9.959 950 HB VAL 124 HB VAL 124 -6.951 -6.445 7.047 951 HG11 VAL 124 1HG1 VAL 124 -8.593 -7.110 8.782 952 HG12 VAL 124 2HG1 VAL 124 -9.168 -5.720 7.856 953 HG13 VAL 124 3HG1 VAL 124 -8.520 -5.489 9.482 954 HG21 VAL 124 3HG2 VAL 124 -5.739 -4.297 7.176 955 HG22 VAL 124 1HG2 VAL 124 -6.784 -3.781 8.500 956 HG23 VAL 124 2HG2 VAL 124 -7.466 -4.045 6.892 957 HA PRO 125 HA PRO 125 -4.920 -10.480 9.688 958 HB2 PRO 125 2HB PRO 125 -6.051 -11.239 12.076 959 HB3 PRO 125 1HB PRO 125 -4.483 -10.420 11.976 960 HG2 PRO 125 2HG PRO 125 -7.206 -9.223 12.514 961 HG3 PRO 125 1HG PRO 125 -5.689 -8.967 13.394 962 HD2 PRO 125 2HD PRO 125 -6.544 -7.182 11.582 963 HD3 PRO 125 1HD PRO 125 -4.809 -7.557 11.731 964 H LYS 126 HN LYS 126 -6.163 -12.471 9.445 965 HA LYS 126 HA LYS 126 -8.465 -12.025 7.870 966 HB2 LYS 126 2HB LYS 126 -6.670 -13.806 7.581 967 HB3 LYS 126 1HB LYS 126 -7.482 -14.718 8.844 968 HG2 LYS 126 2HG LYS 126 -9.445 -15.022 7.492 969 HG3 LYS 126 1HG LYS 126 -8.885 -13.854 6.295 970 HD2 LYS 126 2HD LYS 126 -8.625 -16.224 5.545 971 HD3 LYS 126 1HD LYS 126 -7.096 -15.342 5.591 972 HE2 LYS 126 2HE LYS 126 -6.803 -17.598 6.497 973 HE3 LYS 126 1HE LYS 126 -6.569 -16.410 7.775 974 HZ1 LYS 126 3HZ LYS 126 -9.026 -18.001 7.302 975 HZ2 LYS 126 1HZ LYS 126 -8.829 -16.842 8.521 976 HZ3 LYS 126 2HZ LYS 126 -7.895 -18.253 8.533 977 H HIS 127 HN HIS 127 -8.163 -12.717 11.213 978 HA HIS 127 HA HIS 127 -10.831 -13.589 11.764 979 HB2 HIS 127 2HB HIS 127 -8.850 -12.122 13.568 980 HB3 HIS 127 1HB HIS 127 -10.338 -12.883 14.123 981 HD1 HIS 127 HD1 HIS 127 -7.398 -13.623 15.050 982 HD2 HIS 127 HD2 HIS 127 -9.683 -15.715 12.288 983 HE1 HIS 127 HE1 HIS 127 -6.487 -15.965 15.055 984 HE2 HIS 127 HE2 HIS 127 -7.762 -17.153 13.234 985 H LYS 128 HN LYS 128 -9.333 -10.489 11.221 986 HA LYS 128 HA LYS 128 -11.607 -8.912 12.207 987 HB2 LYS 128 2HB LYS 128 -9.372 -8.182 12.889 988 HB3 LYS 128 1HB LYS 128 -8.820 -8.153 11.224 989 HG2 LYS 128 2HG LYS 128 -9.140 -5.891 11.981 990 HG3 LYS 128 1HG LYS 128 -10.364 -6.257 10.763 991 HD2 LYS 128 2HD LYS 128 -12.047 -6.586 12.551 992 HD3 LYS 128 1HD LYS 128 -10.819 -6.243 13.778 993 HE2 LYS 128 2HE LYS 128 -10.552 -3.959 12.836 994 HE3 LYS 128 1HE LYS 128 -11.807 -4.314 11.646 995 HZ1 LYS 128 3HZ LYS 128 -13.356 -4.643 13.494 996 HZ2 LYS 128 1HZ LYS 128 -12.700 -3.085 13.470 997 HZ3 LYS 128 2HZ LYS 128 -12.137 -4.218 14.587 998 H LEU 129 HN LEU 129 -10.144 -10.054 9.261 999 HA LEU 129 HA LEU 129 -10.968 -8.140 7.369 1000 HB2 LEU 129 2HB LEU 129 -10.477 -11.129 7.094 1001 HB3 LEU 129 1HB LEU 129 -10.851 -10.104 5.718 1002 HG LEU 129 HG LEU 129 -8.385 -9.856 7.481 1003 HD11 LEU 129 1HD1 LEU 129 -7.152 -10.600 5.471 1004 HD12 LEU 129 2HD1 LEU 129 -8.690 -10.872 4.628 1005 HD13 LEU 129 3HD1 LEU 129 -8.278 -11.826 6.060 1006 HD21 LEU 129 3HD2 LEU 129 -7.622 -8.162 5.957 1007 HD22 LEU 129 1HD2 LEU 129 -9.191 -7.686 6.598 1008 HD23 LEU 129 2HD2 LEU 129 -9.070 -8.340 4.958 1009 H LYS 130 HN LYS 130 -12.608 -11.082 8.521 1010 HA LYS 130 HA LYS 130 -14.825 -10.933 6.734 1011 HB2 LYS 130 2HB LYS 130 -15.764 -12.752 8.186 1012 HB3 LYS 130 1HB LYS 130 -14.142 -13.089 7.597 1013 HG2 LYS 130 2HG LYS 130 -13.162 -12.654 9.736 1014 HG3 LYS 130 1HG LYS 130 -14.661 -11.963 10.358 1015 HD2 LYS 130 2HD LYS 130 -14.268 -14.228 11.242 1016 HD3 LYS 130 1HD LYS 130 -15.745 -14.156 10.282 1017 HE2 LYS 130 2HE LYS 130 -14.608 -15.231 8.399 1018 HE3 LYS 130 1HE LYS 130 -13.075 -15.207 9.274 1019 HZ1 LYS 130 3HZ LYS 130 -15.508 -16.679 10.108 1020 HZ2 LYS 130 1HZ LYS 130 -14.028 -16.670 10.924 1021 HZ3 LYS 130 2HZ LYS 130 -14.148 -17.366 9.386 1022 H GLU 131 HN GLU 131 -14.061 -9.424 9.761 1023 HA GLU 131 HA GLU 131 -16.814 -8.877 10.569 1024 HB2 GLU 131 2HB GLU 131 -14.221 -7.730 11.709 1025 HB3 GLU 131 1HB GLU 131 -15.806 -7.742 12.480 1026 HG2 GLU 131 2HG GLU 131 -14.099 -10.182 11.901 1027 HG3 GLU 131 1HG GLU 131 -14.229 -9.375 13.460 1028 H GLU 132 HN GLU 132 -14.052 -7.346 9.040 1029 HA GLU 132 HA GLU 132 -15.348 -4.686 8.993 1030 HB2 GLU 132 2HB GLU 132 -13.060 -5.061 10.056 1031 HB3 GLU 132 1HB GLU 132 -12.433 -5.399 8.449 1032 HG2 GLU 132 2HG GLU 132 -12.889 -3.134 7.726 1033 HG3 GLU 132 1HG GLU 132 -13.729 -2.772 9.237 1034 H GLY 133 HN GLY 133 -15.612 -7.173 7.097 1035 HA2 GLY 133 2HA GLY 133 -16.605 -7.292 5.054 1036 HA3 GLY 133 1HA GLY 133 -16.522 -5.546 4.948 1037 H TYR 134 HN TYR 134 -13.602 -7.497 5.320 1038 HA TYR 134 HA TYR 134 -12.863 -7.052 2.497 1039 HB2 TYR 134 2HB TYR 134 -11.213 -8.111 4.818 1040 HB3 TYR 134 1HB TYR 134 -10.605 -7.872 3.186 1041 HD1 TYR 134 HD2 TYR 134 -10.210 -5.577 2.317 1042 HD2 TYR 134 HD1 TYR 134 -11.534 -6.214 6.333 1043 HE1 TYR 134 HE2 TYR 134 -9.525 -3.295 2.906 1044 HE2 TYR 134 HE1 TYR 134 -10.831 -3.939 6.915 1045 HH TYR 134 HH TYR 134 -10.078 -1.594 4.620 1046 H GLU 135 HN GLU 135 -14.942 -8.972 3.379 1047 HA GLU 135 HA GLU 135 -14.160 -11.659 3.098 1048 HB2 GLU 135 2HB GLU 135 -16.791 -10.359 2.275 1049 HB3 GLU 135 1HB GLU 135 -16.528 -12.087 2.504 1050 HG2 GLU 135 2HG GLU 135 -16.002 -11.657 4.906 1051 HG3 GLU 135 1HG GLU 135 -16.369 -9.946 4.653 1052 H SER 136 HN SER 136 -14.267 -9.112 0.798 1053 HA SER 136 HA SER 136 -14.505 -10.424 -1.664 1054 HB2 SER 136 2HB SER 136 -12.776 -7.993 -1.010 1055 HB3 SER 136 1HB SER 136 -13.483 -8.407 -2.576 1056 HG SER 136 HG SER 136 -14.647 -6.788 -1.347 1057 H TYR 137 HN TYR 137 -11.654 -9.771 0.426 1058 HA TYR 137 HA TYR 137 -9.837 -11.127 -1.380 1059 HB2 TYR 137 2HB TYR 137 -9.070 -9.232 0.069 1060 HB3 TYR 137 1HB TYR 137 -9.278 -10.264 1.485 1061 HD1 TYR 137 HD2 TYR 137 -7.390 -9.890 -1.692 1062 HD2 TYR 137 HD1 TYR 137 -7.534 -11.920 2.059 1063 HE1 TYR 137 HE2 TYR 137 -5.205 -10.869 -2.153 1064 HE2 TYR 137 HE1 TYR 137 -5.322 -12.901 1.598 1065 HH TYR 137 HH TYR 137 -3.957 -13.464 -0.363 1066 H LEU 138 HN LEU 138 -11.573 -11.961 1.622 1067 HA LEU 138 HA LEU 138 -10.539 -14.552 1.966 1068 HB2 LEU 138 2HB LEU 138 -13.235 -13.332 2.597 1069 HB3 LEU 138 1HB LEU 138 -12.955 -15.044 2.869 1070 HG LEU 138 HG LEU 138 -11.100 -14.504 4.435 1071 HD11 LEU 138 1HD1 LEU 138 -10.393 -12.363 3.474 1072 HD12 LEU 138 2HD1 LEU 138 -10.696 -12.246 5.203 1073 HD13 LEU 138 3HD1 LEU 138 -11.878 -11.607 4.060 1074 HD21 LEU 138 3HD2 LEU 138 -12.459 -13.666 6.285 1075 HD22 LEU 138 1HD2 LEU 138 -13.364 -14.839 5.327 1076 HD23 LEU 138 2HD2 LEU 138 -13.697 -13.111 5.154 1077 H HIS 139 HN HIS 139 -12.619 -13.350 -0.582 1078 HA HIS 139 HA HIS 139 -13.083 -16.019 -1.650 1079 HB2 HIS 139 2HB HIS 139 -14.720 -14.143 -1.988 1080 HB3 HIS 139 1HB HIS 139 -13.540 -13.334 -3.012 1081 HD1 HIS 139 HD1 HIS 139 -13.743 -13.863 -5.450 1082 HD2 HIS 139 HD2 HIS 139 -15.403 -16.841 -3.074 1083 HE1 HIS 139 HE1 HIS 139 -14.762 -15.502 -7.044 1084 HE2 HIS 139 HE2 HIS 139 -15.562 -17.382 -5.593 1085 H LEU 140 HN LEU 140 -10.774 -13.358 -2.122 1086 HA LEU 140 HA LEU 140 -9.644 -14.246 -4.620 1087 HB2 LEU 140 2HB LEU 140 -8.477 -12.453 -2.446 1088 HB3 LEU 140 1HB LEU 140 -7.688 -12.739 -3.992 1089 HG LEU 140 HG LEU 140 -10.411 -11.403 -3.663 1090 HD11 LEU 140 1HD1 LEU 140 -7.719 -10.131 -4.273 1091 HD12 LEU 140 2HD1 LEU 140 -8.628 -9.970 -2.762 1092 HD13 LEU 140 3HD1 LEU 140 -9.284 -9.306 -4.265 1093 HD21 LEU 140 3HD2 LEU 140 -8.683 -11.772 -6.136 1094 HD22 LEU 140 1HD2 LEU 140 -10.180 -10.836 -6.054 1095 HD23 LEU 140 2HD2 LEU 140 -10.217 -12.579 -5.795 1096 H PHE 141 HN PHE 141 -8.588 -14.645 -1.250 1097 HA PHE 141 HA PHE 141 -6.433 -16.490 -2.032 1098 HB2 PHE 141 2HB PHE 141 -6.156 -14.459 -0.465 1099 HB3 PHE 141 1HB PHE 141 -7.018 -15.395 0.744 1100 HD1 PHE 141 HD1 PHE 141 -4.657 -17.119 -1.514 1101 HD2 PHE 141 HD2 PHE 141 -5.094 -15.135 2.253 1102 HE1 PHE 141 HE1 PHE 141 -2.491 -18.010 -0.779 1103 HE2 PHE 141 HE2 PHE 141 -2.938 -16.046 2.971 1104 HZ PHE 141 HZ PHE 141 -1.631 -17.471 1.459 1105 H ASN 142 HN ASN 142 -9.401 -16.379 -0.142 1106 HA ASN 142 HA ASN 142 -10.611 -17.822 1.085 1107 HB2 ASN 142 2HB ASN 142 -11.286 -18.483 -1.185 1108 HB3 ASN 142 1HB ASN 142 -10.005 -19.691 -1.231 1109 HD21 ASN 142 1HD2 ASN 142 -13.066 -18.827 0.249 1110 HD22 ASN 142 2HD2 ASN 142 -13.458 -20.400 0.840 1111 H LYS 143 HN LYS 143 -9.472 -18.087 2.941 1112 HA LYS 143 HA LYS 143 -8.162 -20.712 3.337 1113 HB2 LYS 143 2HB LYS 143 -7.425 -18.058 4.655 1114 HB3 LYS 143 1HB LYS 143 -6.697 -19.609 5.033 1115 HG2 LYS 143 2HG LYS 143 -6.509 -18.524 2.217 1116 HG3 LYS 143 1HG LYS 143 -5.464 -17.875 3.475 1117 HD2 LYS 143 2HD LYS 143 -4.184 -19.546 2.400 1118 HD3 LYS 143 1HD LYS 143 -4.700 -20.265 3.921 1119 HE2 LYS 143 2HE LYS 143 -4.903 -21.942 2.218 1120 HE3 LYS 143 1HE LYS 143 -6.539 -21.430 2.625 1121 HZ1 LYS 143 3HZ LYS 143 -6.577 -20.055 0.650 1122 HZ2 LYS 143 1HZ LYS 143 -6.201 -21.649 0.241 1123 HZ3 LYS 143 2HZ LYS 143 -4.983 -20.483 0.280 1124 H LEU 144 HN LEU 144 -10.093 -21.619 4.001 1125 HA LEU 144 HA LEU 144 -11.744 -20.482 6.115 1126 HB2 LEU 144 2HB LEU 144 -12.721 -21.634 4.133 1127 HB3 LEU 144 1HB LEU 144 -11.937 -23.130 4.616 1128 HG LEU 144 HG LEU 144 -13.339 -23.215 6.661 1129 HD11 LEU 144 1HD1 LEU 144 -14.662 -20.699 5.611 1130 HD12 LEU 144 2HD1 LEU 144 -13.694 -20.853 7.080 1131 HD13 LEU 144 3HD1 LEU 144 -15.241 -21.681 6.960 1132 HD21 LEU 144 3HD2 LEU 144 -15.497 -23.710 5.582 1133 HD22 LEU 144 1HD2 LEU 144 -14.140 -24.363 4.666 1134 HD23 LEU 144 2HD2 LEU 144 -14.954 -22.898 4.110 1135 H GLU 145 HN GLU 145 -11.458 -20.907 8.250 1136 HA GLU 145 HA GLU 145 -9.181 -22.493 9.083 1137 HB2 GLU 145 2HB GLU 145 -11.098 -20.779 10.716 1138 HB3 GLU 145 1HB GLU 145 -9.600 -21.491 11.321 1139 HG2 GLU 145 2HG GLU 145 -8.316 -20.137 9.702 1140 HG3 GLU 145 1HG GLU 145 -9.815 -19.421 9.113 1141 H HIS 146 HN HIS 146 -9.719 -24.662 8.885 1142 HA HIS 146 HA HIS 146 -11.275 -25.716 11.149 1143 HB2 HIS 146 2HB HIS 146 -11.692 -26.590 8.253 1144 HB3 HIS 146 1HB HIS 146 -12.148 -27.596 9.623 1145 HD1 HIS 146 HD1 HIS 146 -13.294 -24.745 7.599 1146 HD2 HIS 146 HD2 HIS 146 -14.297 -26.526 11.217 1147 HE1 HIS 146 HE1 HIS 146 -15.532 -23.778 8.226 1148 HE2 HIS 146 HE2 HIS 146 -16.191 -25.005 10.327 1149 H HIS 147 HN HIS 147 -9.358 -26.224 12.180 1150 HA HIS 147 HA HIS 147 -7.445 -28.053 10.878 1151 HB2 HIS 147 2HB HIS 147 -6.508 -26.063 12.061 1152 HB3 HIS 147 1HB HIS 147 -7.255 -26.586 13.564 1153 HD1 HIS 147 HD1 HIS 147 -6.308 -28.929 14.536 1154 HD2 HIS 147 HD2 HIS 147 -4.006 -27.089 11.603 1155 HE1 HIS 147 HE1 HIS 147 -4.036 -29.992 14.693 1156 HE2 HIS 147 HE2 HIS 147 -2.717 -28.977 12.807 Start of MODEL 11 1 H1 MET 1 1H MET 1 -8.462 15.755 22.864 2 H2 MET 1 2H MET 1 -8.000 14.329 22.083 3 H3 MET 1 3H MET 1 -8.652 14.266 23.637 4 HA MET 1 HA MET 1 -10.744 15.060 22.871 5 HB2 MET 1 2HB MET 1 -11.208 15.470 20.531 6 HB3 MET 1 1HB MET 1 -9.769 16.396 20.933 7 HG2 MET 1 2HG MET 1 -9.795 13.738 19.472 8 HG3 MET 1 1HG MET 1 -9.597 15.317 18.720 9 HE1 MET 1 3HE MET 1 -7.393 16.729 18.776 10 HE2 MET 1 1HE MET 1 -6.032 16.387 19.847 11 HE3 MET 1 2HE MET 1 -7.574 16.906 20.524 12 H ALA 2 HN ALA 2 -12.363 13.571 21.899 13 HA ALA 2 HA ALA 2 -11.727 10.783 22.200 14 HB1 ALA 2 3HB ALA 2 -13.969 11.668 22.746 15 HB2 ALA 2 1HB ALA 2 -14.070 10.390 21.535 16 HB3 ALA 2 2HB ALA 2 -14.231 12.081 21.051 17 H TYR 3 HN TYR 3 -10.974 9.398 20.657 18 HA TYR 3 HA TYR 3 -10.512 10.372 17.947 19 HB2 TYR 3 2HB TYR 3 -9.728 7.739 19.271 20 HB3 TYR 3 1HB TYR 3 -9.239 8.249 17.654 21 HD1 TYR 3 HD2 TYR 3 -7.947 10.512 17.463 22 HD2 TYR 3 HD1 TYR 3 -8.369 8.364 21.142 23 HE1 TYR 3 HE2 TYR 3 -6.028 11.727 18.392 24 HE2 TYR 3 HE1 TYR 3 -6.459 9.598 22.069 25 HH TYR 3 HH TYR 3 -4.468 10.788 21.239 26 H ASN 4 HN ASN 4 -12.612 10.531 17.251 27 HA ASN 4 HA ASN 4 -14.302 8.204 16.822 28 HB2 ASN 4 2HB ASN 4 -14.542 11.011 15.624 29 HB3 ASN 4 1HB ASN 4 -15.809 9.791 15.723 30 HD21 ASN 4 1HD2 ASN 4 -16.803 9.392 17.766 31 HD22 ASN 4 2HD2 ASN 4 -16.679 10.521 19.067 32 H LYS 5 HN LYS 5 -15.017 7.750 14.481 33 HA LYS 5 HA LYS 5 -12.823 6.873 12.987 34 HB2 LYS 5 2HB LYS 5 -15.645 7.347 11.961 35 HB3 LYS 5 1HB LYS 5 -14.417 6.347 11.182 36 HG2 LYS 5 2HG LYS 5 -14.411 4.867 13.224 37 HG3 LYS 5 1HG LYS 5 -15.749 5.824 13.863 38 HD2 LYS 5 2HD LYS 5 -15.765 4.122 11.340 39 HD3 LYS 5 1HD LYS 5 -16.609 3.785 12.852 40 HE2 LYS 5 2HE LYS 5 -17.183 6.059 10.929 41 HE3 LYS 5 1HE LYS 5 -18.188 4.639 11.211 42 HZ1 LYS 5 3HZ LYS 5 -18.519 5.416 13.505 43 HZ2 LYS 5 1HZ LYS 5 -19.071 6.547 12.375 44 HZ3 LYS 5 2HZ LYS 5 -17.606 6.798 13.179 45 H GLU 6 HN GLU 6 -14.867 9.749 12.468 46 HA GLU 6 HA GLU 6 -13.498 10.723 10.165 47 HB2 GLU 6 2HB GLU 6 -15.100 12.309 12.213 48 HB3 GLU 6 1HB GLU 6 -14.605 12.896 10.628 49 HG2 GLU 6 2HG GLU 6 -16.586 10.687 11.230 50 HG3 GLU 6 1HG GLU 6 -16.930 12.275 10.549 51 H GLU 7 HN GLU 7 -13.200 11.532 13.643 52 HA GLU 7 HA GLU 7 -11.130 13.395 13.584 53 HB2 GLU 7 2HB GLU 7 -12.412 12.856 15.621 54 HB3 GLU 7 1HB GLU 7 -11.721 11.243 15.655 55 HG2 GLU 7 2HG GLU 7 -10.710 12.682 17.352 56 HG3 GLU 7 1HG GLU 7 -9.513 12.151 16.171 57 H LYS 8 HN LYS 8 -10.984 9.930 13.170 58 HA LYS 8 HA LYS 8 -8.075 9.775 13.313 59 HB2 LYS 8 2HB LYS 8 -10.191 7.711 12.562 60 HB3 LYS 8 1HB LYS 8 -8.463 7.384 12.457 61 HG2 LYS 8 2HG LYS 8 -10.017 8.075 14.968 62 HG3 LYS 8 1HG LYS 8 -9.361 6.495 14.543 63 HD2 LYS 8 2HD LYS 8 -7.725 9.000 15.115 64 HD3 LYS 8 1HD LYS 8 -7.979 7.663 16.234 65 HE2 LYS 8 2HE LYS 8 -6.569 7.430 13.555 66 HE3 LYS 8 1HE LYS 8 -5.763 7.575 15.114 67 HZ1 LYS 8 3HZ LYS 8 -7.554 5.353 14.297 68 HZ2 LYS 8 1HZ LYS 8 -6.779 5.499 15.795 69 HZ3 LYS 8 2HZ LYS 8 -5.866 5.286 14.388 70 H ILE 9 HN ILE 9 -10.578 9.618 10.745 71 HA ILE 9 HA ILE 9 -8.848 9.076 8.594 72 HB ILE 9 HB ILE 9 -11.632 10.311 8.633 73 HG12 ILE 9 2HG1 ILE 9 -11.553 7.948 9.356 74 HG13 ILE 9 1HG1 ILE 9 -12.347 8.065 7.792 75 HG21 ILE 9 1HG2 ILE 9 -11.790 9.869 6.184 76 HG22 ILE 9 2HG2 ILE 9 -10.071 9.469 6.150 77 HG23 ILE 9 3HG2 ILE 9 -10.588 11.101 6.568 78 HD11 ILE 9 3HD1 ILE 9 -10.874 6.154 7.926 79 HD12 ILE 9 1HD1 ILE 9 -9.494 7.201 8.254 80 HD13 ILE 9 2HD1 ILE 9 -10.316 7.278 6.690 81 H LYS 10 HN LYS 10 -9.922 12.227 9.916 82 HA LYS 10 HA LYS 10 -9.012 13.867 7.823 83 HB2 LYS 10 2HB LYS 10 -9.178 14.622 10.772 84 HB3 LYS 10 1HB LYS 10 -9.081 15.744 9.423 85 HG2 LYS 10 2HG LYS 10 -11.385 13.926 10.138 86 HG3 LYS 10 1HG LYS 10 -11.340 15.683 10.227 87 HD2 LYS 10 2HD LYS 10 -11.132 15.746 7.713 88 HD3 LYS 10 1HD LYS 10 -11.304 13.987 7.697 89 HE2 LYS 10 2HE LYS 10 -13.544 14.196 8.712 90 HE3 LYS 10 1HE LYS 10 -13.374 15.956 8.741 91 HZ1 LYS 10 3HZ LYS 10 -13.443 14.226 6.335 92 HZ2 LYS 10 1HZ LYS 10 -13.171 15.893 6.308 93 HZ3 LYS 10 2HZ LYS 10 -14.650 15.285 6.854 94 H SER 11 HN SER 11 -7.466 13.216 10.997 95 HA SER 11 HA SER 11 -4.980 14.401 10.557 96 HB2 SER 11 2HB SER 11 -5.789 13.621 12.787 97 HB3 SER 11 1HB SER 11 -5.589 11.945 12.271 98 HG SER 11 HG SER 11 -3.691 12.270 13.172 99 H LEU 12 HN LEU 12 -5.829 10.947 10.310 100 HA LEU 12 HA LEU 12 -3.628 9.747 9.347 101 HB2 LEU 12 2HB LEU 12 -5.600 8.526 9.966 102 HB3 LEU 12 1HB LEU 12 -6.561 9.319 8.735 103 HG LEU 12 HG LEU 12 -5.072 8.108 7.022 104 HD11 LEU 12 1HD1 LEU 12 -4.336 6.385 9.390 105 HD12 LEU 12 2HD1 LEU 12 -3.254 7.409 8.438 106 HD13 LEU 12 3HD1 LEU 12 -4.030 6.018 7.686 107 HD21 LEU 12 3HD2 LEU 12 -6.468 6.139 7.009 108 HD22 LEU 12 1HD2 LEU 12 -7.416 7.566 7.413 109 HD23 LEU 12 2HD2 LEU 12 -6.956 6.429 8.685 110 H ASN 13 HN ASN 13 -6.125 11.236 7.253 111 HA ASN 13 HA ASN 13 -4.952 10.383 4.811 112 HB2 ASN 13 2HB ASN 13 -7.142 12.368 5.450 113 HB3 ASN 13 1HB ASN 13 -6.582 12.138 3.799 114 HD21 ASN 13 1HD2 ASN 13 -6.788 9.425 6.085 115 HD22 ASN 13 2HD2 ASN 13 -8.122 8.672 5.300 116 H ARG 14 HN ARG 14 -4.671 13.363 6.684 117 HA ARG 14 HA ARG 14 -3.177 14.858 4.761 118 HB2 ARG 14 2HB ARG 14 -3.142 15.158 7.801 119 HB3 ARG 14 1HB ARG 14 -2.620 16.367 6.628 120 HG2 ARG 14 2HG ARG 14 -5.452 15.374 7.048 121 HG3 ARG 14 1HG ARG 14 -4.812 16.931 7.556 122 HD2 ARG 14 2HD ARG 14 -4.612 17.673 5.277 123 HD3 ARG 14 1HD ARG 14 -4.941 16.056 4.647 124 HE ARG 14 HE ARG 14 -6.892 17.891 5.889 125 HH11 ARG 14 1HH1 ARG 14 -6.280 14.935 4.080 126 HH12 ARG 14 2HH1 ARG 14 -7.947 14.683 3.683 127 HH21 ARG 14 1HH2 ARG 14 -9.091 17.536 5.382 128 HH22 ARG 14 2HH2 ARG 14 -9.545 16.160 4.426 129 H MET 15 HN MET 15 -2.333 12.499 7.245 130 HA MET 15 HA MET 15 0.506 12.834 7.155 131 HB2 MET 15 2HB MET 15 -1.015 10.298 7.930 132 HB3 MET 15 1HB MET 15 0.668 10.662 8.300 133 HG2 MET 15 2HG MET 15 -1.778 12.029 9.416 134 HG3 MET 15 1HG MET 15 -0.657 10.975 10.273 135 HE1 MET 15 3HE MET 15 -0.062 14.507 11.902 136 HE2 MET 15 1HE MET 15 -0.519 12.831 12.201 137 HE3 MET 15 2HE MET 15 -1.597 13.892 11.292 138 H GLN 16 HN GLN 16 -1.691 10.389 5.711 139 HA GLN 16 HA GLN 16 0.164 8.818 4.321 140 HB2 GLN 16 2HB GLN 16 -2.726 9.385 3.516 141 HB3 GLN 16 1HB GLN 16 -1.757 8.012 2.978 142 HG2 GLN 16 2HG GLN 16 -1.779 7.041 5.179 143 HG3 GLN 16 1HG GLN 16 -2.492 8.496 5.874 144 HE21 GLN 16 1HE2 GLN 16 -3.172 5.567 4.110 145 HE22 GLN 16 2HE2 GLN 16 -4.874 5.735 4.120 146 H TYR 17 HN TYR 17 -1.759 11.563 3.304 147 HA TYR 17 HA TYR 17 -1.060 11.645 0.560 148 HB2 TYR 17 2HB TYR 17 -3.006 12.920 1.609 149 HB3 TYR 17 1HB TYR 17 -1.847 14.092 2.220 150 HD1 TYR 17 HD2 TYR 17 -0.614 15.594 0.599 151 HD2 TYR 17 HD1 TYR 17 -3.640 12.891 -0.750 152 HE1 TYR 17 HE2 TYR 17 -0.700 16.766 -1.560 153 HE2 TYR 17 HE1 TYR 17 -3.724 14.060 -2.902 154 HH TYR 17 HH TYR 17 -1.368 16.329 -3.880 155 H GLU 18 HN GLU 18 0.278 13.497 3.338 156 HA GLU 18 HA GLU 18 2.237 14.920 1.820 157 HB2 GLU 18 2HB GLU 18 1.387 15.618 4.078 158 HB3 GLU 18 1HB GLU 18 2.285 14.290 4.808 159 HG2 GLU 18 2HG GLU 18 4.398 15.315 3.866 160 HG3 GLU 18 1HG GLU 18 3.428 16.689 3.340 161 H VAL 19 HN VAL 19 2.246 11.837 3.496 162 HA VAL 19 HA VAL 19 5.037 11.342 3.594 163 HB VAL 19 HB VAL 19 2.580 9.562 3.882 164 HG11 VAL 19 1HG1 VAL 19 5.442 8.601 4.039 165 HG12 VAL 19 2HG1 VAL 19 4.276 8.146 2.801 166 HG13 VAL 19 3HG1 VAL 19 4.019 7.657 4.478 167 HG21 VAL 19 3HG2 VAL 19 3.373 9.311 6.203 168 HG22 VAL 19 1HG2 VAL 19 3.171 11.018 5.785 169 HG23 VAL 19 2HG2 VAL 19 4.789 10.311 5.833 170 H THR 20 HN THR 20 2.539 9.849 1.495 171 HA THR 20 HA THR 20 4.327 8.652 -0.321 172 HB THR 20 HB THR 20 1.902 7.998 0.061 173 HG1 THR 20 HG1 THR 20 1.682 7.272 -2.070 174 HG21 THR 20 3HG2 THR 20 1.299 10.290 -1.861 175 HG22 THR 20 1HG2 THR 20 0.886 10.275 -0.144 176 HG23 THR 20 2HG2 THR 20 0.142 9.116 -1.238 177 H GLN 21 HN GLN 21 3.319 11.949 -0.107 178 HA GLN 21 HA GLN 21 3.547 12.733 -2.836 179 HB2 GLN 21 2HB GLN 21 2.430 14.075 -1.036 180 HB3 GLN 21 1HB GLN 21 4.010 14.431 -0.343 181 HG2 GLN 21 2HG GLN 21 4.651 15.615 -2.406 182 HG3 GLN 21 1HG GLN 21 3.082 15.232 -3.117 183 HE21 GLN 21 1HE2 GLN 21 2.514 17.369 -3.383 184 HE22 GLN 21 2HE2 GLN 21 2.128 18.422 -2.063 185 H ASN 22 HN ASN 22 5.877 12.239 -0.287 186 HA ASN 22 HA ASN 22 8.142 13.033 -2.042 187 HB2 ASN 22 2HB ASN 22 7.771 14.592 -0.129 188 HB3 ASN 22 1HB ASN 22 7.907 13.253 0.999 189 HD21 ASN 22 1HD2 ASN 22 9.962 12.440 1.487 190 HD22 ASN 22 2HD2 ASN 22 11.420 13.240 1.023 191 H ASN 23 HN ASN 23 6.581 10.429 -0.727 192 HA ASN 23 HA ASN 23 6.980 8.329 -0.035 193 HB2 ASN 23 2HB ASN 23 8.309 8.306 -2.257 194 HB3 ASN 23 1HB ASN 23 9.765 8.494 -1.286 195 HD21 ASN 23 1HD2 ASN 23 10.592 6.471 -1.941 196 HD22 ASN 23 2HD2 ASN 23 9.916 4.971 -1.407 197 H GLY 24 HN GLY 24 7.488 10.472 1.714 198 HA2 GLY 24 2HA GLY 24 9.759 9.974 3.420 199 HA3 GLY 24 1HA GLY 24 8.398 11.043 3.743 200 H THR 25 HN THR 25 8.986 9.832 5.909 201 HA THR 25 HA THR 25 6.824 7.885 6.272 202 HB THR 25 HB THR 25 8.722 6.362 5.964 203 HG1 THR 25 HG1 THR 25 8.372 6.331 8.761 204 HG21 THR 25 3HG2 THR 25 10.097 7.827 8.244 205 HG22 THR 25 1HG2 THR 25 10.599 7.851 6.550 206 HG23 THR 25 2HG2 THR 25 10.680 6.352 7.475 207 H GLU 26 HN GLU 26 5.982 7.810 8.352 208 HA GLU 26 HA GLU 26 6.341 10.074 10.073 209 HB2 GLU 26 2HB GLU 26 4.881 7.441 10.614 210 HB3 GLU 26 1HB GLU 26 4.682 8.940 11.518 211 HG2 GLU 26 2HG GLU 26 3.837 9.986 9.347 212 HG3 GLU 26 1HG GLU 26 3.813 8.361 8.669 213 HA PRO 27 HA PRO 27 9.646 8.516 12.790 214 HB2 PRO 27 2HB PRO 27 8.622 9.304 15.282 215 HB3 PRO 27 1HB PRO 27 9.541 10.356 14.199 216 HG2 PRO 27 2HG PRO 27 6.555 10.119 14.523 217 HG3 PRO 27 1HG PRO 27 7.546 11.584 14.352 218 HD2 PRO 27 2HD PRO 27 6.169 10.630 12.260 219 HD3 PRO 27 1HD PRO 27 7.806 11.288 12.025 220 HA PRO 28 HA PRO 28 8.086 4.504 13.975 221 HB2 PRO 28 2HB PRO 28 10.004 3.590 15.721 222 HB3 PRO 28 1HB PRO 28 10.290 3.736 13.983 223 HG2 PRO 28 2HG PRO 28 11.058 5.636 16.192 224 HG3 PRO 28 1HG PRO 28 12.031 5.093 14.807 225 HD2 PRO 28 2HD PRO 28 10.778 7.512 14.812 226 HD3 PRO 28 1HD PRO 28 10.986 6.568 13.320 227 H PHE 29 HN PHE 29 6.260 5.618 14.989 228 HA PHE 29 HA PHE 29 6.112 5.796 17.890 229 HB2 PHE 29 2HB PHE 29 4.940 7.470 16.430 230 HB3 PHE 29 1HB PHE 29 3.960 6.176 15.745 231 HD1 PHE 29 HD2 PHE 29 4.766 7.882 18.984 232 HD2 PHE 29 HD1 PHE 29 1.920 5.540 16.819 233 HE1 PHE 29 HE2 PHE 29 3.144 8.143 20.812 234 HE2 PHE 29 HE1 PHE 29 0.299 5.813 18.646 235 HZ PHE 29 HZ PHE 29 0.913 7.114 20.641 236 H GLN 30 HN GLN 30 4.592 4.517 19.063 237 HA GLN 30 HA GLN 30 4.781 1.733 18.500 238 HB2 GLN 30 2HB GLN 30 3.621 1.451 20.695 239 HB3 GLN 30 1HB GLN 30 4.999 2.538 20.783 240 HG2 GLN 30 2HG GLN 30 3.544 4.478 20.889 241 HG3 GLN 30 1HG GLN 30 2.114 3.484 20.615 242 HE21 GLN 30 1HE2 GLN 30 1.442 2.073 22.281 243 HE22 GLN 30 2HE2 GLN 30 1.874 2.369 23.926 244 H ASN 31 HN ASN 31 3.543 2.124 16.394 245 HA ASN 31 HA ASN 31 0.640 2.216 16.508 246 HB2 ASN 31 2HB ASN 31 2.641 1.996 14.223 247 HB3 ASN 31 1HB ASN 31 0.899 1.986 13.973 248 HD21 ASN 31 1HD2 ASN 31 3.130 3.902 13.214 249 HD22 ASN 31 2HD2 ASN 31 2.541 5.443 13.725 250 H GLU 32 HN GLU 32 -0.201 0.548 14.591 251 HA GLU 32 HA GLU 32 -0.453 -1.871 16.068 252 HB2 GLU 32 2HB GLU 32 -2.234 -0.640 14.681 253 HB3 GLU 32 1HB GLU 32 -1.462 -1.313 13.253 254 HG2 GLU 32 2HG GLU 32 -3.318 -2.702 13.695 255 HG3 GLU 32 1HG GLU 32 -1.916 -3.618 14.233 256 H TYR 33 HN TYR 33 2.077 -1.052 14.000 257 HA TYR 33 HA TYR 33 2.362 -3.730 12.841 258 HB2 TYR 33 2HB TYR 33 4.193 -2.848 11.489 259 HB3 TYR 33 1HB TYR 33 2.750 -1.869 11.311 260 HD1 TYR 33 HD2 TYR 33 2.711 0.479 12.148 261 HD2 TYR 33 HD1 TYR 33 6.242 -1.909 12.501 262 HE1 TYR 33 HE2 TYR 33 4.045 2.501 12.561 263 HE2 TYR 33 HE1 TYR 33 7.569 0.116 12.917 264 HH TYR 33 HH TYR 33 7.472 2.510 12.554 265 H TRP 34 HN TRP 34 3.243 -2.285 15.712 266 HA TRP 34 HA TRP 34 5.979 -3.193 15.884 267 HB2 TRP 34 2HB TRP 34 4.105 -1.843 17.832 268 HB3 TRP 34 1HB TRP 34 5.650 -2.494 18.388 269 HD1 TRP 34 HD1 TRP 34 4.342 0.057 15.761 270 HE1 TRP 34 HE1 TRP 34 6.164 1.837 15.432 271 HE3 TRP 34 HE3 TRP 34 7.984 -1.904 18.770 272 HZ2 TRP 34 HZ2 TRP 34 8.770 2.354 16.301 273 HZ3 TRP 34 HZ3 TRP 34 10.125 -0.699 18.958 274 HH2 TRP 34 HH2 TRP 34 10.512 1.393 17.748 275 H ASP 35 HN ASP 35 2.909 -4.677 16.724 276 HA ASP 35 HA ASP 35 4.056 -6.715 18.398 277 HB2 ASP 35 2HB ASP 35 1.930 -7.968 17.968 278 HB3 ASP 35 1HB ASP 35 1.687 -6.345 18.595 279 H HIS 36 HN HIS 36 3.493 -6.322 14.935 280 HA HIS 36 HA HIS 36 4.403 -7.260 13.087 281 HB2 HIS 36 2HB HIS 36 6.512 -6.896 14.524 282 HB3 HIS 36 1HB HIS 36 6.432 -8.603 14.922 283 HD1 HIS 36 HD1 HIS 36 7.236 -10.274 13.146 284 HD2 HIS 36 HD2 HIS 36 7.384 -6.307 11.907 285 HE1 HIS 36 HE1 HIS 36 8.717 -10.254 11.125 286 HE2 HIS 36 HE2 HIS 36 8.749 -7.861 10.365 287 H LYS 37 HN LYS 37 2.450 -8.719 14.905 288 HA LYS 37 HA LYS 37 2.716 -11.554 14.116 289 HB2 LYS 37 2HB LYS 37 0.699 -10.115 15.914 290 HB3 LYS 37 1HB LYS 37 0.769 -11.855 15.669 291 HG2 LYS 37 2HG LYS 37 2.958 -10.187 16.948 292 HG3 LYS 37 1HG LYS 37 1.756 -11.125 17.833 293 HD2 LYS 37 2HD LYS 37 3.802 -12.294 15.901 294 HD3 LYS 37 1HD LYS 37 3.956 -12.290 17.657 295 HE2 LYS 37 2HE LYS 37 1.940 -13.691 17.853 296 HE3 LYS 37 1HE LYS 37 1.742 -13.671 16.098 297 HZ1 LYS 37 3HZ LYS 37 4.080 -14.793 17.534 298 HZ2 LYS 37 1HZ LYS 37 3.798 -14.848 15.866 299 HZ3 LYS 37 2HZ LYS 37 2.785 -15.693 16.924 300 H GLU 38 HN GLU 38 2.149 -9.370 12.208 301 HA GLU 38 HA GLU 38 -0.668 -8.909 11.989 302 HB2 GLU 38 2HB GLU 38 1.568 -8.042 10.116 303 HB3 GLU 38 1HB GLU 38 -0.015 -7.298 10.303 304 HG2 GLU 38 2HG GLU 38 0.567 -6.463 12.501 305 HG3 GLU 38 1HG GLU 38 2.094 -7.351 12.483 306 H GLU 39 HN GLU 39 -1.417 -11.195 11.345 307 HA GLU 39 HA GLU 39 -1.204 -11.472 8.451 308 HB2 GLU 39 2HB GLU 39 -2.683 -13.478 8.751 309 HB3 GLU 39 1HB GLU 39 -1.151 -13.566 9.599 310 HG2 GLU 39 2HG GLU 39 -2.801 -14.528 11.028 311 HG3 GLU 39 1HG GLU 39 -2.350 -12.968 11.722 312 H GLY 40 HN GLY 40 -3.076 -11.482 7.107 313 HA2 GLY 40 2HA GLY 40 -5.508 -10.858 6.973 314 HA3 GLY 40 1HA GLY 40 -5.067 -9.433 7.912 315 H LEU 41 HN LEU 41 -6.115 -8.444 5.907 316 HA LEU 41 HA LEU 41 -4.268 -8.286 3.607 317 HB2 LEU 41 2HB LEU 41 -7.161 -7.521 3.985 318 HB3 LEU 41 1HB LEU 41 -6.236 -6.813 2.668 319 HG LEU 41 HG LEU 41 -6.842 -9.772 3.055 320 HD11 LEU 41 1HD1 LEU 41 -8.068 -9.496 0.961 321 HD12 LEU 41 2HD1 LEU 41 -7.691 -7.766 0.966 322 HD13 LEU 41 3HD1 LEU 41 -8.698 -8.464 2.244 323 HD21 LEU 41 3HD2 LEU 41 -5.689 -10.127 0.898 324 HD22 LEU 41 1HD2 LEU 41 -4.585 -9.548 2.144 325 HD23 LEU 41 2HD2 LEU 41 -5.164 -8.441 0.898 326 H TYR 42 HN TYR 42 -3.152 -6.580 3.109 327 HA TYR 42 HA TYR 42 -3.109 -4.233 4.844 328 HB2 TYR 42 2HB TYR 42 -1.206 -5.320 2.740 329 HB3 TYR 42 1HB TYR 42 -1.100 -3.631 3.245 330 HD1 TYR 42 HD2 TYR 42 -0.818 -7.144 4.433 331 HD2 TYR 42 HD1 TYR 42 -0.263 -3.005 5.393 332 HE1 TYR 42 HE2 TYR 42 0.400 -7.778 6.456 333 HE2 TYR 42 HE1 TYR 42 0.952 -3.645 7.428 334 HH TYR 42 HH TYR 42 1.149 -5.568 8.915 335 H VAL 43 HN VAL 43 -4.303 -2.630 4.390 336 HA VAL 43 HA VAL 43 -5.256 -2.096 1.662 337 HB VAL 43 HB VAL 43 -7.486 -1.601 2.535 338 HG11 VAL 43 1HG1 VAL 43 -8.225 -3.856 3.256 339 HG12 VAL 43 2HG1 VAL 43 -6.549 -4.298 3.610 340 HG13 VAL 43 3HG1 VAL 43 -7.036 -3.962 1.950 341 HG21 VAL 43 3HG2 VAL 43 -6.898 -0.662 4.731 342 HG22 VAL 43 1HG2 VAL 43 -6.406 -2.259 5.312 343 HG23 VAL 43 2HG2 VAL 43 -8.100 -1.935 4.931 344 H ASP 44 HN ASP 44 -5.619 0.087 1.221 345 HA ASP 44 HA ASP 44 -4.101 1.980 2.811 346 HB2 ASP 44 2HB ASP 44 -4.445 1.900 0.144 347 HB3 ASP 44 1HB ASP 44 -5.833 2.912 0.516 348 H ILE 45 HN ILE 45 -4.948 2.825 4.531 349 HA ILE 45 HA ILE 45 -7.481 2.159 5.506 350 HB ILE 45 HB ILE 45 -5.839 4.430 6.681 351 HG12 ILE 45 2HG1 ILE 45 -5.261 1.492 7.254 352 HG13 ILE 45 1HG1 ILE 45 -4.361 2.416 6.056 353 HG21 ILE 45 1HG2 ILE 45 -6.632 3.549 8.865 354 HG22 ILE 45 2HG2 ILE 45 -7.534 2.282 8.030 355 HG23 ILE 45 3HG2 ILE 45 -7.987 3.973 7.814 356 HD11 ILE 45 3HD1 ILE 45 -4.522 3.034 9.003 357 HD12 ILE 45 1HD1 ILE 45 -3.646 3.973 7.792 358 HD13 ILE 45 2HD1 ILE 45 -3.159 2.314 8.144 359 H VAL 46 HN VAL 46 -6.682 4.861 3.541 360 HA VAL 46 HA VAL 46 -8.474 6.891 4.200 361 HB VAL 46 HB VAL 46 -8.482 7.466 1.719 362 HG11 VAL 46 1HG1 VAL 46 -5.739 6.892 2.885 363 HG12 VAL 46 2HG1 VAL 46 -6.713 8.330 3.192 364 HG13 VAL 46 3HG1 VAL 46 -6.096 8.013 1.566 365 HG21 VAL 46 3HG2 VAL 46 -6.746 4.969 1.445 366 HG22 VAL 46 1HG2 VAL 46 -7.091 6.141 0.170 367 HG23 VAL 46 2HG2 VAL 46 -8.391 5.144 0.826 368 H SER 47 HN SER 47 -9.183 3.785 2.779 369 HA SER 47 HA SER 47 -12.039 4.353 2.524 370 HB2 SER 47 2HB SER 47 -12.016 3.427 0.136 371 HB3 SER 47 1HB SER 47 -11.269 5.018 0.319 372 HG SER 47 HG SER 47 -9.573 4.143 -0.517 373 H GLY 48 HN GLY 48 -9.332 2.061 2.352 374 HA2 GLY 48 2HA GLY 48 -9.314 -0.036 3.453 375 HA3 GLY 48 1HA GLY 48 -11.064 -0.130 3.318 376 H LYS 49 HN LYS 49 -8.711 0.688 0.786 377 HA LYS 49 HA LYS 49 -9.813 -1.270 -1.065 378 HB2 LYS 49 2HB LYS 49 -7.485 0.683 -1.316 379 HB3 LYS 49 1HB LYS 49 -8.026 -0.363 -2.622 380 HG2 LYS 49 2HG LYS 49 -9.648 1.844 -1.329 381 HG3 LYS 49 1HG LYS 49 -8.840 1.915 -2.895 382 HD2 LYS 49 2HD LYS 49 -10.302 -0.109 -3.558 383 HD3 LYS 49 1HD LYS 49 -11.252 0.248 -2.109 384 HE2 LYS 49 2HE LYS 49 -12.272 1.291 -4.076 385 HE3 LYS 49 1HE LYS 49 -11.668 2.540 -2.985 386 HZ1 LYS 49 3HZ LYS 49 -11.118 2.994 -5.306 387 HZ2 LYS 49 1HZ LYS 49 -10.255 1.546 -5.404 388 HZ3 LYS 49 2HZ LYS 49 -9.721 2.780 -4.383 389 HA PRO 50 HA PRO 50 -6.730 -4.390 0.344 390 HB2 PRO 50 2HB PRO 50 -7.738 -5.952 -2.007 391 HB3 PRO 50 1HB PRO 50 -7.658 -6.418 -0.302 392 HG2 PRO 50 2HG PRO 50 -10.004 -5.828 -1.492 393 HG3 PRO 50 1HG PRO 50 -9.693 -5.422 0.207 394 HD2 PRO 50 2HD PRO 50 -9.634 -3.620 -2.210 395 HD3 PRO 50 1HD PRO 50 -10.270 -3.301 -0.580 396 H LEU 51 HN LEU 51 -4.683 -4.045 -0.180 397 HA LEU 51 HA LEU 51 -3.914 -3.405 -2.962 398 HB2 LEU 51 2HB LEU 51 -2.555 -2.633 -0.354 399 HB3 LEU 51 1HB LEU 51 -1.917 -2.285 -1.958 400 HG LEU 51 HG LEU 51 -4.465 -1.166 -0.732 401 HD11 LEU 51 1HD1 LEU 51 -3.368 0.995 -0.919 402 HD12 LEU 51 2HD1 LEU 51 -1.922 0.230 -1.588 403 HD13 LEU 51 3HD1 LEU 51 -2.422 -0.111 0.072 404 HD21 LEU 51 3HD2 LEU 51 -4.768 0.128 -2.831 405 HD22 LEU 51 1HD2 LEU 51 -4.905 -1.612 -3.102 406 HD23 LEU 51 2HD2 LEU 51 -3.433 -0.761 -3.568 407 H PHE 52 HN PHE 52 -2.985 -5.286 -0.067 408 HA PHE 52 HA PHE 52 -2.114 -7.460 -1.695 409 HB2 PHE 52 2HB PHE 52 0.284 -7.587 -1.094 410 HB3 PHE 52 1HB PHE 52 -0.069 -6.157 -2.045 411 HD1 PHE 52 HD1 PHE 52 0.877 -7.383 1.337 412 HD2 PHE 52 HD2 PHE 52 0.307 -3.931 -1.143 413 HE1 PHE 52 HE1 PHE 52 2.117 -6.009 2.954 414 HE2 PHE 52 HE2 PHE 52 1.530 -2.564 0.497 415 HZ PHE 52 HZ PHE 52 2.450 -3.604 2.536 416 H THR 53 HN THR 53 -0.845 -9.127 -0.232 417 HA THR 53 HA THR 53 -2.524 -9.417 2.180 418 HB THR 53 HB THR 53 -3.076 -11.050 0.434 419 HG1 THR 53 HG1 THR 53 -2.790 -12.911 1.737 420 HG21 THR 53 3HG2 THR 53 -0.887 -11.178 -0.744 421 HG22 THR 53 1HG2 THR 53 -1.490 -12.780 -0.301 422 HG23 THR 53 2HG2 THR 53 -0.204 -12.029 0.644 423 H SER 54 HN SER 54 -1.670 -10.270 4.035 424 HA SER 54 HA SER 54 1.084 -10.009 4.688 425 HB2 SER 54 2HB SER 54 0.443 -10.943 6.850 426 HB3 SER 54 1HB SER 54 -0.805 -9.806 6.326 427 HG SER 54 HG SER 54 -0.911 -12.598 5.861 428 H LYS 55 HN LYS 55 -0.855 -12.555 3.391 429 HA LYS 55 HA LYS 55 0.490 -14.891 4.161 430 HB2 LYS 55 2HB LYS 55 -1.790 -14.791 3.130 431 HB3 LYS 55 1HB LYS 55 -1.068 -14.329 1.596 432 HG2 LYS 55 2HG LYS 55 -1.679 -16.680 1.547 433 HG3 LYS 55 1HG LYS 55 0.079 -16.516 1.482 434 HD2 LYS 55 2HD LYS 55 0.148 -16.981 3.967 435 HD3 LYS 55 1HD LYS 55 -1.589 -17.296 3.914 436 HE2 LYS 55 2HE LYS 55 -0.299 -19.393 3.846 437 HE3 LYS 55 1HE LYS 55 -1.200 -19.165 2.346 438 HZ1 LYS 55 3HZ LYS 55 1.673 -18.536 2.724 439 HZ2 LYS 55 1HZ LYS 55 0.807 -18.382 1.285 440 HZ3 LYS 55 2HZ LYS 55 1.075 -19.910 1.952 441 H ASP 56 HN ASP 56 1.253 -12.494 1.736 442 HA ASP 56 HA ASP 56 3.754 -13.929 1.079 443 HB2 ASP 56 2HB ASP 56 2.018 -13.888 -0.816 444 HB3 ASP 56 1HB ASP 56 2.220 -12.142 -0.867 445 H LYS 57 HN LYS 57 2.915 -11.743 3.104 446 HA LYS 57 HA LYS 57 4.329 -9.352 2.168 447 HB2 LYS 57 2HB LYS 57 2.454 -9.039 3.733 448 HB3 LYS 57 1HB LYS 57 3.235 -10.064 4.927 449 HG2 LYS 57 2HG LYS 57 5.184 -8.222 4.719 450 HG3 LYS 57 1HG LYS 57 3.847 -7.213 4.166 451 HD2 LYS 57 2HD LYS 57 2.663 -7.558 6.271 452 HD3 LYS 57 1HD LYS 57 3.856 -8.740 6.801 453 HE2 LYS 57 2HE LYS 57 5.586 -6.907 6.794 454 HE3 LYS 57 1HE LYS 57 4.307 -5.758 6.403 455 HZ1 LYS 57 3HZ LYS 57 4.507 -7.395 8.877 456 HZ2 LYS 57 1HZ LYS 57 3.204 -6.408 8.495 457 HZ3 LYS 57 2HZ LYS 57 4.722 -5.723 8.750 458 H PHE 58 HN PHE 58 6.493 -9.035 2.402 459 HA PHE 58 HA PHE 58 7.696 -9.856 4.972 460 HB2 PHE 58 2HB PHE 58 8.750 -11.164 3.085 461 HB3 PHE 58 1HB PHE 58 9.198 -9.654 2.306 462 HD1 PHE 58 HD2 PHE 58 9.815 -11.816 5.280 463 HD2 PHE 58 HD1 PHE 58 11.182 -8.443 3.018 464 HE1 PHE 58 HE2 PHE 58 11.929 -11.814 6.543 465 HE2 PHE 58 HE1 PHE 58 13.292 -8.461 4.274 466 HZ PHE 58 HZ PHE 58 13.668 -10.142 6.040 467 H ASP 59 HN ASP 59 8.356 -8.124 6.081 468 HA ASP 59 HA ASP 59 8.077 -5.449 4.970 469 HB2 ASP 59 2HB ASP 59 8.699 -4.776 7.397 470 HB3 ASP 59 1HB ASP 59 7.172 -5.613 7.156 471 H SER 60 HN SER 60 9.692 -4.403 4.064 472 HA SER 60 HA SER 60 12.312 -5.614 3.867 473 HB2 SER 60 2HB SER 60 12.663 -3.716 2.215 474 HB3 SER 60 1HB SER 60 11.290 -4.758 1.853 475 HG SER 60 HG SER 60 10.925 -2.406 3.375 476 H GLN 61 HN GLN 61 14.311 -4.420 4.112 477 HA GLN 61 HA GLN 61 14.577 -3.147 6.660 478 HB2 GLN 61 2HB GLN 61 16.307 -4.622 5.546 479 HB3 GLN 61 1HB GLN 61 16.657 -3.298 4.444 480 HG2 GLN 61 2HG GLN 61 17.322 -1.896 6.425 481 HG3 GLN 61 1HG GLN 61 17.058 -3.304 7.452 482 HE21 GLN 61 1HE2 GLN 61 19.175 -3.450 8.146 483 HE22 GLN 61 2HE2 GLN 61 20.490 -3.888 7.112 484 H CYS 62 HN CYS 62 13.923 -1.938 3.514 485 HA CYS 62 HA CYS 62 14.845 0.699 3.591 486 HB2 CYS 62 2HB CYS 62 12.317 -0.400 2.304 487 HB3 CYS 62 1HB CYS 62 13.058 1.156 1.919 488 HG CYS 62 HG CYS 62 14.818 0.304 0.239 489 H GLY 63 HN GLY 63 12.355 -0.766 5.499 490 HA2 GLY 63 2HA GLY 63 11.382 0.221 7.403 491 HA3 GLY 63 1HA GLY 63 11.676 1.820 6.734 492 H TRP 64 HN TRP 64 10.560 1.841 4.344 493 HA TRP 64 HA TRP 64 7.729 1.607 4.606 494 HB2 TRP 64 2HB TRP 64 9.382 1.866 2.043 495 HB3 TRP 64 1HB TRP 64 7.673 2.260 2.231 496 HD1 TRP 64 HD1 TRP 64 7.160 4.414 3.930 497 HE1 TRP 64 HE1 TRP 64 8.523 6.539 4.271 498 HE3 TRP 64 HE3 TRP 64 11.645 2.884 1.988 499 HZ2 TRP 64 HZ2 TRP 64 11.118 7.493 3.827 500 HZ3 TRP 64 HZ3 TRP 64 13.526 4.480 1.989 501 HH2 TRP 64 HH2 TRP 64 13.263 6.746 2.892 502 HA PRO 65 HA PRO 65 7.817 -2.896 3.786 503 HB2 PRO 65 2HB PRO 65 4.838 -2.577 3.576 504 HB3 PRO 65 1HB PRO 65 5.777 -3.661 4.612 505 HG2 PRO 65 2HG PRO 65 4.541 -1.513 5.646 506 HG3 PRO 65 1HG PRO 65 6.143 -2.007 6.238 507 HD2 PRO 65 2HD PRO 65 5.443 0.206 4.296 508 HD3 PRO 65 1HD PRO 65 6.598 0.224 5.652 509 H SER 66 HN SER 66 8.547 -3.285 1.791 510 HA SER 66 HA SER 66 7.033 -2.350 -0.554 511 HB2 SER 66 2HB SER 66 9.146 -2.689 -1.823 512 HB3 SER 66 1HB SER 66 9.322 -1.525 -0.511 513 HG SER 66 HG SER 66 10.684 -2.808 0.456 514 H PHE 67 HN PHE 67 6.201 -3.740 -1.942 515 HA PHE 67 HA PHE 67 6.410 -6.652 -1.396 516 HB2 PHE 67 2HB PHE 67 4.210 -5.309 -0.903 517 HB3 PHE 67 1HB PHE 67 4.012 -5.237 -2.644 518 HD1 PHE 67 HD2 PHE 67 3.494 -7.307 -3.923 519 HD2 PHE 67 HD1 PHE 67 3.844 -7.388 0.329 520 HE1 PHE 67 HE2 PHE 67 2.313 -9.458 -3.865 521 HE2 PHE 67 HE1 PHE 67 2.667 -9.542 0.374 522 HZ PHE 67 HZ PHE 67 1.891 -10.572 -1.718 523 H THR 68 HN THR 68 6.559 -8.022 -3.238 524 HA THR 68 HA THR 68 8.124 -7.021 -5.355 525 HB THR 68 HB THR 68 8.313 -9.353 -4.578 526 HG1 THR 68 HG1 THR 68 8.204 -8.566 -7.158 527 HG21 THR 68 3HG2 THR 68 6.687 -11.077 -5.264 528 HG22 THR 68 1HG2 THR 68 5.630 -9.829 -5.938 529 HG23 THR 68 2HG2 THR 68 5.929 -9.893 -4.200 530 H LYS 69 HN LYS 69 4.670 -7.292 -5.080 531 HA LYS 69 HA LYS 69 3.855 -6.053 -7.380 532 HB2 LYS 69 2HB LYS 69 4.809 -7.852 -8.736 533 HB3 LYS 69 1HB LYS 69 3.997 -9.078 -7.772 534 HG2 LYS 69 2HG LYS 69 1.815 -8.357 -8.626 535 HG3 LYS 69 1HG LYS 69 2.573 -7.037 -9.516 536 HD2 LYS 69 2HD LYS 69 3.083 -9.997 -10.018 537 HD3 LYS 69 1HD LYS 69 1.997 -8.979 -10.967 538 HE2 LYS 69 2HE LYS 69 3.936 -7.533 -11.590 539 HE3 LYS 69 1HE LYS 69 5.001 -8.608 -10.681 540 HZ1 LYS 69 3HZ LYS 69 5.058 -9.122 -13.002 541 HZ2 LYS 69 1HZ LYS 69 3.384 -9.351 -13.049 542 HZ3 LYS 69 2HZ LYS 69 4.362 -10.406 -12.156 543 HA PRO 70 HA PRO 70 0.485 -6.768 -4.195 544 HB2 PRO 70 2HB PRO 70 -0.051 -3.980 -5.249 545 HB3 PRO 70 1HB PRO 70 -0.121 -4.590 -3.588 546 HG2 PRO 70 2HG PRO 70 1.939 -3.105 -4.363 547 HG3 PRO 70 1HG PRO 70 2.204 -4.523 -3.319 548 HD2 PRO 70 2HD PRO 70 2.623 -4.257 -6.298 549 HD3 PRO 70 1HD PRO 70 3.657 -5.040 -5.082 550 H ILE 71 HN ILE 71 -1.875 -6.382 -4.548 551 HA ILE 71 HA ILE 71 -3.045 -7.535 -6.731 552 HB ILE 71 HB ILE 71 -4.249 -5.426 -4.879 553 HG12 ILE 71 2HG1 ILE 71 -4.437 -8.473 -4.745 554 HG13 ILE 71 1HG1 ILE 71 -3.321 -7.509 -3.789 555 HG21 ILE 71 1HG2 ILE 71 -5.734 -7.352 -6.712 556 HG22 ILE 71 2HG2 ILE 71 -5.660 -5.599 -6.893 557 HG23 ILE 71 3HG2 ILE 71 -6.488 -6.307 -5.504 558 HD11 ILE 71 3HD1 ILE 71 -5.194 -6.445 -2.665 559 HD12 ILE 71 1HD1 ILE 71 -5.228 -8.198 -2.490 560 HD13 ILE 71 2HD1 ILE 71 -6.323 -7.406 -3.622 561 H GLU 72 HN GLU 72 -2.714 -6.966 -8.732 562 HA GLU 72 HA GLU 72 -1.810 -4.341 -9.561 563 HB2 GLU 72 2HB GLU 72 -1.484 -5.369 -11.771 564 HB3 GLU 72 1HB GLU 72 -0.823 -6.397 -10.507 565 HG2 GLU 72 2HG GLU 72 -2.794 -7.863 -10.641 566 HG3 GLU 72 1HG GLU 72 -3.486 -6.831 -11.892 567 H GLU 73 HN GLU 73 -4.768 -5.880 -9.286 568 HA GLU 73 HA GLU 73 -6.296 -4.653 -11.362 569 HB2 GLU 73 2HB GLU 73 -6.896 -6.773 -10.244 570 HB3 GLU 73 1HB GLU 73 -7.128 -5.924 -8.718 571 HG2 GLU 73 2HG GLU 73 -9.023 -4.702 -9.661 572 HG3 GLU 73 1HG GLU 73 -8.761 -5.464 -11.231 573 H GLU 74 HN GLU 74 -5.642 -3.860 -7.934 574 HA GLU 74 HA GLU 74 -7.266 -1.400 -8.083 575 HB2 GLU 74 2HB GLU 74 -7.515 -3.046 -6.163 576 HB3 GLU 74 1HB GLU 74 -5.874 -2.653 -5.672 577 HG2 GLU 74 2HG GLU 74 -7.477 -1.456 -4.288 578 HG3 GLU 74 1HG GLU 74 -6.550 -0.317 -5.265 579 H VAL 75 HN VAL 75 -4.024 -2.449 -8.343 580 HA VAL 75 HA VAL 75 -2.860 0.174 -7.628 581 HB VAL 75 HB VAL 75 -1.602 -2.612 -7.791 582 HG11 VAL 75 1HG1 VAL 75 0.487 -1.546 -6.976 583 HG12 VAL 75 2HG1 VAL 75 -0.269 0.042 -7.161 584 HG13 VAL 75 3HG1 VAL 75 0.026 -0.966 -8.578 585 HG21 VAL 75 3HG2 VAL 75 -2.952 -2.231 -5.749 586 HG22 VAL 75 1HG2 VAL 75 -2.034 -0.763 -5.409 587 HG23 VAL 75 2HG2 VAL 75 -1.233 -2.339 -5.356 588 H GLU 76 HN GLU 76 -1.933 1.380 -9.221 589 HA GLU 76 HA GLU 76 -1.380 0.217 -11.903 590 HB2 GLU 76 2HB GLU 76 -2.882 2.773 -11.193 591 HB3 GLU 76 1HB GLU 76 -2.169 2.541 -12.781 592 HG2 GLU 76 2HG GLU 76 -4.172 0.577 -11.644 593 HG3 GLU 76 1HG GLU 76 -4.676 2.041 -12.483 594 H GLU 77 HN GLU 77 0.777 0.521 -12.339 595 HA GLU 77 HA GLU 77 2.288 2.622 -10.972 596 HB2 GLU 77 2HB GLU 77 4.311 1.614 -11.946 597 HB3 GLU 77 1HB GLU 77 3.367 0.408 -11.096 598 HG2 GLU 77 2HG GLU 77 3.286 0.724 -14.110 599 HG3 GLU 77 1HG GLU 77 4.456 -0.304 -13.298 600 H LYS 78 HN LYS 78 3.332 4.313 -12.070 601 HA LYS 78 HA LYS 78 2.608 4.859 -14.867 602 HB2 LYS 78 2HB LYS 78 1.896 6.604 -12.470 603 HB3 LYS 78 1HB LYS 78 1.944 7.232 -14.106 604 HG2 LYS 78 2HG LYS 78 0.176 4.860 -13.485 605 HG3 LYS 78 1HG LYS 78 -0.343 6.478 -13.032 606 HD2 LYS 78 2HD LYS 78 -1.348 6.005 -15.148 607 HD3 LYS 78 1HD LYS 78 -0.059 7.169 -15.446 608 HE2 LYS 78 2HE LYS 78 -0.043 5.521 -17.212 609 HE3 LYS 78 1HE LYS 78 1.390 5.262 -16.221 610 HZ1 LYS 78 3HZ LYS 78 0.346 3.177 -16.781 611 HZ2 LYS 78 1HZ LYS 78 -1.126 3.684 -16.131 612 HZ3 LYS 78 2HZ LYS 78 0.198 3.429 -15.119 613 H LEU 79 HN LEU 79 4.404 5.417 -15.903 614 HA LEU 79 HA LEU 79 6.877 5.824 -14.500 615 HB2 LEU 79 2HB LEU 79 6.657 4.431 -16.580 616 HB3 LEU 79 1HB LEU 79 6.330 5.897 -17.489 617 HG LEU 79 HG LEU 79 8.618 6.752 -16.876 618 HD11 LEU 79 1HD1 LEU 79 8.971 5.524 -14.807 619 HD12 LEU 79 2HD1 LEU 79 10.288 5.220 -15.935 620 HD13 LEU 79 3HD1 LEU 79 9.035 3.999 -15.691 621 HD21 LEU 79 3HD2 LEU 79 8.263 5.649 -19.024 622 HD22 LEU 79 1HD2 LEU 79 8.624 4.082 -18.296 623 HD23 LEU 79 2HD2 LEU 79 9.880 5.324 -18.397 624 H ASP 80 HN ASP 80 8.171 7.610 -14.540 625 HA ASP 80 HA ASP 80 7.335 10.178 -15.668 626 HB2 ASP 80 2HB ASP 80 7.794 9.698 -12.677 627 HB3 ASP 80 1HB ASP 80 7.758 11.298 -13.409 628 H THR 81 HN THR 81 9.066 11.760 -15.581 629 HA THR 81 HA THR 81 11.694 11.035 -14.630 630 HB THR 81 HB THR 81 11.859 9.933 -16.797 631 HG1 THR 81 HG1 THR 81 13.706 11.086 -16.158 632 HG21 THR 81 3HG2 THR 81 11.582 11.126 -18.951 633 HG22 THR 81 1HG2 THR 81 11.022 12.561 -18.090 634 HG23 THR 81 2HG2 THR 81 10.066 11.076 -18.049 635 H SER 82 HN SER 82 12.551 12.823 -13.764 636 HA SER 82 HA SER 82 11.342 15.432 -14.143 637 HB2 SER 82 2HB SER 82 13.034 16.100 -12.369 638 HB3 SER 82 1HB SER 82 11.966 14.779 -11.890 639 HG SER 82 HG SER 82 14.015 14.166 -11.348 640 H HIS 83 HN HIS 83 14.714 14.241 -14.334 641 HA HIS 83 HA HIS 83 15.278 15.344 -16.886 642 HB2 HIS 83 2HB HIS 83 16.983 17.051 -16.218 643 HB3 HIS 83 1HB HIS 83 15.360 17.503 -15.718 644 HD1 HIS 83 HD1 HIS 83 14.863 17.016 -13.049 645 HD2 HIS 83 HD2 HIS 83 18.845 17.221 -14.235 646 HE1 HIS 83 HE1 HIS 83 16.183 17.370 -10.938 647 HE2 HIS 83 HE2 HIS 83 18.589 17.356 -11.666 648 H GLY 84 HN GLY 84 15.812 13.150 -17.110 649 HA2 GLY 84 2HA GLY 84 17.508 11.595 -17.486 650 HA3 GLY 84 1HA GLY 84 18.581 12.480 -16.413 651 H MET 85 HN MET 85 16.465 12.469 -14.227 652 HA MET 85 HA MET 85 16.980 9.862 -13.087 653 HB2 MET 85 2HB MET 85 15.262 12.190 -12.090 654 HB3 MET 85 1HB MET 85 15.493 10.692 -11.197 655 HG2 MET 85 2HG MET 85 16.932 12.294 -10.228 656 HG3 MET 85 1HG MET 85 17.961 11.205 -11.156 657 HE1 MET 85 3HE MET 85 19.696 14.767 -11.390 658 HE2 MET 85 1HE MET 85 19.930 13.087 -10.908 659 HE3 MET 85 2HE MET 85 18.796 14.110 -10.025 660 H ILE 86 HN ILE 86 15.577 8.206 -13.020 661 HA ILE 86 HA ILE 86 12.974 8.419 -14.434 662 HB ILE 86 HB ILE 86 14.786 5.964 -14.149 663 HG12 ILE 86 2HG1 ILE 86 15.830 7.608 -15.652 664 HG13 ILE 86 1HG1 ILE 86 15.290 6.210 -16.569 665 HG21 ILE 86 1HG2 ILE 86 12.435 5.305 -14.320 666 HG22 ILE 86 2HG2 ILE 86 13.289 4.877 -15.804 667 HG23 ILE 86 3HG2 ILE 86 12.234 6.293 -15.771 668 HD11 ILE 86 3HD1 ILE 86 14.871 8.236 -17.786 669 HD12 ILE 86 1HD1 ILE 86 13.951 8.904 -16.437 670 HD13 ILE 86 2HD1 ILE 86 13.337 7.504 -17.320 671 H ARG 87 HN ARG 87 11.160 7.516 -13.413 672 HA ARG 87 HA ARG 87 11.338 5.951 -11.026 673 HB2 ARG 87 2HB ARG 87 10.308 7.504 -9.462 674 HB3 ARG 87 1HB ARG 87 11.762 8.257 -10.099 675 HG2 ARG 87 2HG ARG 87 10.366 9.637 -11.629 676 HG3 ARG 87 1HG ARG 87 8.914 8.895 -10.952 677 HD2 ARG 87 2HD ARG 87 9.676 9.783 -8.685 678 HD3 ARG 87 1HD ARG 87 10.892 10.725 -9.558 679 HE ARG 87 HE ARG 87 8.321 11.162 -10.673 680 HH11 ARG 87 1HH1 ARG 87 10.240 12.047 -7.878 681 HH12 ARG 87 2HH1 ARG 87 9.323 13.474 -7.544 682 HH21 ARG 87 1HH2 ARG 87 7.112 13.044 -10.217 683 HH22 ARG 87 2HH2 ARG 87 7.559 14.044 -8.879 684 H THR 88 HN THR 88 9.522 4.750 -10.902 685 HA THR 88 HA THR 88 7.105 5.603 -12.388 686 HB THR 88 HB THR 88 7.639 3.805 -13.718 687 HG1 THR 88 HG1 THR 88 6.236 2.237 -13.253 688 HG21 THR 88 3HG2 THR 88 9.766 3.190 -12.716 689 HG22 THR 88 1HG2 THR 88 8.809 1.727 -12.997 690 HG23 THR 88 2HG2 THR 88 8.952 2.395 -11.371 691 H GLU 89 HN GLU 89 5.313 5.695 -11.187 692 HA GLU 89 HA GLU 89 5.494 4.951 -8.314 693 HB2 GLU 89 2HB GLU 89 4.101 7.426 -9.421 694 HB3 GLU 89 1HB GLU 89 4.471 7.061 -7.736 695 HG2 GLU 89 2HG GLU 89 6.898 7.258 -8.271 696 HG3 GLU 89 1HG GLU 89 6.472 7.725 -9.919 697 H VAL 90 HN VAL 90 3.695 4.019 -7.396 698 HA VAL 90 HA VAL 90 1.508 3.308 -9.209 699 HB VAL 90 HB VAL 90 0.761 1.749 -7.356 700 HG11 VAL 90 1HG1 VAL 90 2.005 0.923 -9.275 701 HG12 VAL 90 2HG1 VAL 90 2.526 0.079 -7.819 702 HG13 VAL 90 3HG1 VAL 90 3.541 1.349 -8.511 703 HG21 VAL 90 3HG2 VAL 90 1.905 2.827 -5.442 704 HG22 VAL 90 1HG2 VAL 90 3.471 2.404 -6.142 705 HG23 VAL 90 2HG2 VAL 90 2.367 1.133 -5.603 706 H ARG 91 HN ARG 91 -0.266 4.355 -9.221 707 HA ARG 91 HA ARG 91 -1.565 5.666 -7.083 708 HB2 ARG 91 2HB ARG 91 -1.170 8.034 -7.929 709 HB3 ARG 91 1HB ARG 91 0.225 7.282 -7.167 710 HG2 ARG 91 2HG ARG 91 1.086 6.745 -9.510 711 HG3 ARG 91 1HG ARG 91 -0.225 7.745 -10.136 712 HD2 ARG 91 2HD ARG 91 0.664 9.677 -8.821 713 HD3 ARG 91 1HD ARG 91 2.016 8.666 -8.303 714 HE ARG 91 HE ARG 91 2.709 8.548 -10.659 715 HH11 ARG 91 1HH1 ARG 91 0.500 11.147 -9.789 716 HH12 ARG 91 2HH1 ARG 91 0.980 12.158 -11.114 717 HH21 ARG 91 1HH2 ARG 91 3.319 9.873 -12.382 718 HH22 ARG 91 2HH2 ARG 91 2.572 11.423 -12.595 719 H SER 92 HN SER 92 -3.686 5.652 -7.699 720 HA SER 92 HA SER 92 -4.512 5.670 -10.477 721 HB2 SER 92 2HB SER 92 -5.828 4.481 -8.701 722 HB3 SER 92 1HB SER 92 -6.211 6.038 -7.970 723 HG SER 92 HG SER 92 -7.307 4.793 -10.133 724 H ARG 93 HN ARG 93 -6.337 7.458 -10.947 725 HA ARG 93 HA ARG 93 -4.780 9.956 -10.830 726 HB2 ARG 93 2HB ARG 93 -5.583 8.988 -13.042 727 HB3 ARG 93 1HB ARG 93 -7.223 9.435 -12.569 728 HG2 ARG 93 2HG ARG 93 -6.488 11.814 -12.374 729 HG3 ARG 93 1HG ARG 93 -4.876 11.342 -12.911 730 HD2 ARG 93 2HD ARG 93 -5.846 10.611 -15.081 731 HD3 ARG 93 1HD ARG 93 -7.440 11.138 -14.525 732 HE ARG 93 HE ARG 93 -5.413 13.198 -14.412 733 HH11 ARG 93 1HH1 ARG 93 -7.867 11.728 -16.476 734 HH12 ARG 93 2HH1 ARG 93 -7.966 13.112 -17.516 735 HH21 ARG 93 1HH2 ARG 93 -5.562 14.970 -15.784 736 HH22 ARG 93 2HH2 ARG 93 -6.665 14.955 -17.121 737 H THR 94 HN THR 94 -8.032 8.761 -9.950 738 HA THR 94 HA THR 94 -9.001 11.421 -9.311 739 HB THR 94 HB THR 94 -10.425 8.760 -8.872 740 HG1 THR 94 HG1 THR 94 -9.687 9.800 -11.172 741 HG21 THR 94 3HG2 THR 94 -11.529 11.576 -9.205 742 HG22 THR 94 1HG2 THR 94 -11.452 10.684 -7.676 743 HG23 THR 94 2HG2 THR 94 -12.483 10.109 -8.986 744 H ALA 95 HN ALA 95 -8.857 8.393 -7.339 745 HA ALA 95 HA ALA 95 -8.812 10.083 -4.885 746 HB1 ALA 95 3HB ALA 95 -10.122 7.365 -5.278 747 HB2 ALA 95 1HB ALA 95 -10.961 8.918 -5.241 748 HB3 ALA 95 2HB ALA 95 -10.142 8.326 -3.795 749 H ASP 96 HN ASP 96 -7.759 6.964 -6.272 750 HA ASP 96 HA ASP 96 -6.295 6.194 -3.904 751 HB2 ASP 96 2HB ASP 96 -6.488 4.790 -6.579 752 HB3 ASP 96 1HB ASP 96 -5.735 4.117 -5.139 753 H SER 97 HN SER 97 -5.328 8.560 -5.618 754 HA SER 97 HA SER 97 -2.830 7.988 -6.785 755 HB2 SER 97 2HB SER 97 -2.450 10.486 -6.451 756 HB3 SER 97 1HB SER 97 -3.957 10.063 -7.260 757 HG SER 97 HG SER 97 -3.535 11.188 -4.760 758 H HIS 98 HN HIS 98 -3.640 7.816 -3.520 759 HA HIS 98 HA HIS 98 -1.213 8.806 -2.301 760 HB2 HIS 98 2HB HIS 98 -2.373 7.880 -0.175 761 HB3 HIS 98 1HB HIS 98 -3.188 9.186 -1.033 762 HD1 HIS 98 HD1 HIS 98 -3.260 5.368 -1.214 763 HD2 HIS 98 HD2 HIS 98 -5.801 8.646 -1.372 764 HE1 HIS 98 HE1 HIS 98 -5.513 4.440 -1.823 765 HE2 HIS 98 HE2 HIS 98 -7.058 6.422 -1.686 766 H LEU 99 HN LEU 99 -1.688 5.840 -3.833 767 HA LEU 99 HA LEU 99 -1.119 3.857 -1.981 768 HB2 LEU 99 2HB LEU 99 -0.189 3.838 -4.870 769 HB3 LEU 99 1HB LEU 99 -0.404 2.428 -3.854 770 HG LEU 99 HG LEU 99 -2.620 4.251 -4.838 771 HD11 LEU 99 1HD1 LEU 99 -1.919 1.446 -5.751 772 HD12 LEU 99 2HD1 LEU 99 -1.699 2.937 -6.672 773 HD13 LEU 99 3HD1 LEU 99 -3.322 2.388 -6.267 774 HD21 LEU 99 3HD2 LEU 99 -4.189 2.613 -3.923 775 HD22 LEU 99 1HD2 LEU 99 -3.178 3.313 -2.657 776 HD23 LEU 99 2HD2 LEU 99 -2.842 1.686 -3.255 777 H GLY 100 HN GLY 100 1.433 4.920 -4.311 778 HA2 GLY 100 2HA GLY 100 3.528 5.400 -2.561 779 HA3 GLY 100 1HA GLY 100 3.491 3.651 -2.775 780 H HIS 101 HN HIS 101 5.587 3.864 -3.659 781 HA HIS 101 HA HIS 101 5.725 4.730 -6.498 782 HB2 HIS 101 2HB HIS 101 8.024 4.949 -4.472 783 HB3 HIS 101 1HB HIS 101 8.006 5.552 -6.133 784 HD1 HIS 101 HD1 HIS 101 7.278 7.943 -6.414 785 HD2 HIS 101 HD2 HIS 101 6.141 6.380 -2.749 786 HE1 HIS 101 HE1 HIS 101 6.164 9.822 -5.188 787 HE2 HIS 101 HE2 HIS 101 5.226 8.726 -3.144 788 H VAL 102 HN VAL 102 7.416 3.479 -7.712 789 HA VAL 102 HA VAL 102 8.273 0.977 -6.394 790 HB VAL 102 HB VAL 102 7.781 -0.467 -8.207 791 HG11 VAL 102 1HG1 VAL 102 5.365 -0.291 -8.555 792 HG12 VAL 102 2HG1 VAL 102 5.395 1.384 -7.990 793 HG13 VAL 102 3HG1 VAL 102 5.807 0.069 -6.891 794 HG21 VAL 102 3HG2 VAL 102 8.478 0.892 -10.114 795 HG22 VAL 102 1HG2 VAL 102 7.042 1.910 -9.937 796 HG23 VAL 102 2HG2 VAL 102 6.873 0.214 -10.403 797 H PHE 103 HN PHE 103 10.331 0.432 -6.716 798 HA PHE 103 HA PHE 103 11.941 1.932 -8.690 799 HB2 PHE 103 2HB PHE 103 12.699 1.106 -5.851 800 HB3 PHE 103 1HB PHE 103 13.839 1.786 -7.015 801 HD1 PHE 103 HD1 PHE 103 13.444 4.143 -7.888 802 HD2 PHE 103 HD2 PHE 103 11.256 2.559 -4.564 803 HE1 PHE 103 HE1 PHE 103 12.777 6.420 -7.240 804 HE2 PHE 103 HE2 PHE 103 10.600 4.844 -3.917 805 HZ PHE 103 HZ PHE 103 11.352 6.773 -5.258 806 H ASN 104 HN ASN 104 13.323 0.803 -9.907 807 HA ASN 104 HA ASN 104 13.180 -2.093 -9.974 808 HB2 ASN 104 2HB ASN 104 13.134 -0.526 -12.022 809 HB3 ASN 104 1HB ASN 104 14.849 -0.250 -11.755 810 HD21 ASN 104 1HD2 ASN 104 12.430 -2.584 -12.700 811 HD22 ASN 104 2HD2 ASN 104 13.510 -3.717 -13.428 812 H ASP 105 HN ASP 105 14.758 -0.201 -7.954 813 HA ASP 105 HA ASP 105 17.433 -1.358 -7.949 814 HB2 ASP 105 2HB ASP 105 16.081 0.483 -5.922 815 HB3 ASP 105 1HB ASP 105 17.805 0.125 -6.019 816 H GLY 106 HN GLY 106 14.382 -2.297 -6.908 817 HA2 GLY 106 2HA GLY 106 15.346 -3.730 -4.479 818 HA3 GLY 106 1HA GLY 106 13.685 -3.248 -4.771 819 HA PRO 107 HA PRO 107 14.825 -7.599 -6.477 820 HB2 PRO 107 2HB PRO 107 14.035 -9.037 -4.046 821 HB3 PRO 107 1HB PRO 107 15.624 -8.945 -4.812 822 HG2 PRO 107 2HG PRO 107 15.066 -7.779 -2.385 823 HG3 PRO 107 1HG PRO 107 16.311 -7.171 -3.493 824 HD2 PRO 107 2HD PRO 107 13.474 -6.172 -3.108 825 HD3 PRO 107 1HD PRO 107 14.994 -5.246 -3.231 826 H GLY 108 HN GLY 108 13.292 -8.249 -7.830 827 HA2 GLY 108 2HA GLY 108 11.019 -9.751 -6.872 828 HA3 GLY 108 1HA GLY 108 10.568 -8.268 -7.716 829 HA PRO 109 HA PRO 109 11.736 -11.936 -10.791 830 HB2 PRO 109 2HB PRO 109 8.733 -12.261 -10.873 831 HB3 PRO 109 1HB PRO 109 10.004 -13.488 -10.997 832 HG2 PRO 109 2HG PRO 109 8.625 -13.260 -8.739 833 HG3 PRO 109 1HG PRO 109 10.380 -13.529 -8.677 834 HD2 PRO 109 2HD PRO 109 8.846 -10.950 -8.290 835 HD3 PRO 109 1HD PRO 109 10.214 -11.599 -7.354 836 H ASN 110 HN ASN 110 9.229 -9.495 -10.527 837 HA ASN 110 HA ASN 110 8.961 -8.881 -13.324 838 HB2 ASN 110 2HB ASN 110 7.595 -6.959 -12.485 839 HB3 ASN 110 1HB ASN 110 7.085 -8.494 -11.803 840 HD21 ASN 110 1HD2 ASN 110 6.713 -5.738 -10.816 841 HD22 ASN 110 2HD2 ASN 110 7.342 -5.736 -9.207 842 H GLY 111 HN GLY 111 11.038 -7.848 -10.722 843 HA2 GLY 111 2HA GLY 111 13.135 -6.789 -11.061 844 HA3 GLY 111 1HA GLY 111 12.520 -6.025 -12.524 845 H LEU 112 HN LEU 112 10.036 -5.618 -10.511 846 HA LEU 112 HA LEU 112 10.912 -2.904 -9.716 847 HB2 LEU 112 2HB LEU 112 8.159 -3.937 -10.501 848 HB3 LEU 112 1HB LEU 112 8.397 -2.392 -9.700 849 HG LEU 112 HG LEU 112 9.447 -3.147 -12.455 850 HD11 LEU 112 1HD1 LEU 112 7.034 -2.768 -12.438 851 HD12 LEU 112 2HD1 LEU 112 7.864 -1.467 -13.287 852 HD13 LEU 112 3HD1 LEU 112 7.262 -1.204 -11.647 853 HD21 LEU 112 3HD2 LEU 112 11.039 -1.669 -11.336 854 HD22 LEU 112 1HD2 LEU 112 9.748 -0.535 -10.927 855 HD23 LEU 112 2HD2 LEU 112 10.200 -0.795 -12.613 856 H ARG 113 HN ARG 113 10.108 -2.105 -7.731 857 HA ARG 113 HA ARG 113 9.252 -4.135 -5.761 858 HB2 ARG 113 2HB ARG 113 11.795 -3.703 -5.727 859 HB3 ARG 113 1HB ARG 113 11.430 -2.069 -5.196 860 HG2 ARG 113 2HG ARG 113 12.001 -3.492 -3.293 861 HG3 ARG 113 1HG ARG 113 10.320 -2.958 -3.184 862 HD2 ARG 113 2HD ARG 113 9.563 -5.132 -4.073 863 HD3 ARG 113 1HD ARG 113 11.244 -5.664 -4.201 864 HE ARG 113 HE ARG 113 10.638 -4.850 -1.548 865 HH11 ARG 113 1HH1 ARG 113 10.217 -7.529 -3.773 866 HH12 ARG 113 2HH1 ARG 113 9.937 -8.682 -2.511 867 HH21 ARG 113 1HH2 ARG 113 10.296 -6.365 0.088 868 HH22 ARG 113 2HH2 ARG 113 9.987 -8.020 -0.318 869 H TYR 114 HN TYR 114 7.356 -3.408 -5.136 870 HA TYR 114 HA TYR 114 6.566 -0.662 -5.556 871 HB2 TYR 114 2HB TYR 114 5.031 -3.090 -4.511 872 HB3 TYR 114 1HB TYR 114 4.311 -1.512 -4.822 873 HD1 TYR 114 HD2 TYR 114 6.593 -3.842 -6.777 874 HD2 TYR 114 HD1 TYR 114 3.015 -1.492 -6.803 875 HE1 TYR 114 HE2 TYR 114 6.188 -4.474 -9.113 876 HE2 TYR 114 HE1 TYR 114 2.609 -2.149 -9.135 877 HH TYR 114 HH TYR 114 3.858 -2.945 -11.084 878 H CYS 115 HN CYS 115 7.620 0.559 -4.141 879 HA CYS 115 HA CYS 115 7.882 -0.015 -1.308 880 HB2 CYS 115 2HB CYS 115 9.716 1.116 -2.513 881 HB3 CYS 115 1HB CYS 115 8.644 2.432 -2.975 882 HG CYS 115 HG CYS 115 8.310 3.360 -0.346 883 H ILE 116 HN ILE 116 5.855 -0.027 -0.431 884 HA ILE 116 HA ILE 116 4.147 2.362 -0.761 885 HB ILE 116 HB ILE 116 3.191 -0.295 0.398 886 HG12 ILE 116 2HG1 ILE 116 4.062 -0.860 -1.844 887 HG13 ILE 116 1HG1 ILE 116 2.307 -0.941 -1.834 888 HG21 ILE 116 1HG2 ILE 116 1.720 1.998 -0.971 889 HG22 ILE 116 2HG2 ILE 116 1.763 1.681 0.765 890 HG23 ILE 116 3HG2 ILE 116 0.966 0.539 -0.317 891 HD11 ILE 116 3HD1 ILE 116 4.014 1.245 -3.011 892 HD12 ILE 116 1HD1 ILE 116 2.244 1.275 -2.934 893 HD13 ILE 116 2HD1 ILE 116 3.069 0.030 -3.873 894 H ASN 117 HN ASN 117 3.562 3.469 1.079 895 HA ASN 117 HA ASN 117 5.501 3.244 3.226 896 HB2 ASN 117 2HB ASN 117 4.677 5.493 3.856 897 HB3 ASN 117 1HB ASN 117 5.129 5.411 2.160 898 HD21 ASN 117 1HD2 ASN 117 3.393 5.317 0.560 899 HD22 ASN 117 2HD2 ASN 117 1.842 5.974 0.940 900 H SER 118 HN SER 118 5.081 2.830 5.361 901 HA SER 118 HA SER 118 2.883 1.174 6.073 902 HB2 SER 118 2HB SER 118 5.163 1.005 7.095 903 HB3 SER 118 1HB SER 118 4.906 2.549 7.905 904 HG SER 118 HG SER 118 4.321 1.114 9.397 905 H ALA 119 HN ALA 119 3.358 4.595 6.206 906 HA ALA 119 HA ALA 119 1.456 5.379 8.129 907 HB1 ALA 119 3HB ALA 119 3.175 6.882 7.226 908 HB2 ALA 119 1HB ALA 119 1.565 7.579 7.016 909 HB3 ALA 119 2HB ALA 119 2.401 6.846 5.641 910 H ALA 120 HN ALA 120 1.163 4.611 4.660 911 HA ALA 120 HA ALA 120 -1.598 5.446 4.476 912 HB1 ALA 120 3HB ALA 120 -0.094 5.659 2.541 913 HB2 ALA 120 1HB ALA 120 -1.487 4.647 2.162 914 HB3 ALA 120 2HB ALA 120 0.086 3.904 2.478 915 H LEU 121 HN LEU 121 0.015 2.562 5.397 916 HA LEU 121 HA LEU 121 -2.149 0.788 4.459 917 HB2 LEU 121 2HB LEU 121 0.674 0.109 5.342 918 HB3 LEU 121 1HB LEU 121 -0.500 -1.013 4.655 919 HG LEU 121 HG LEU 121 0.834 1.308 3.220 920 HD11 LEU 121 1HD1 LEU 121 1.867 -0.471 1.874 921 HD12 LEU 121 2HD1 LEU 121 1.139 -1.686 2.931 922 HD13 LEU 121 3HD1 LEU 121 2.323 -0.540 3.574 923 HD21 LEU 121 3HD2 LEU 121 -1.292 -0.613 2.212 924 HD22 LEU 121 1HD2 LEU 121 -0.341 0.474 1.192 925 HD23 LEU 121 2HD2 LEU 121 -1.425 1.140 2.406 926 H ARG 122 HN ARG 122 -3.000 -0.799 5.733 927 HA ARG 122 HA ARG 122 -1.681 -1.648 8.108 928 HB2 ARG 122 2HB ARG 122 -3.096 0.377 8.909 929 HB3 ARG 122 1HB ARG 122 -4.508 -0.637 8.649 930 HG2 ARG 122 2HG ARG 122 -3.636 -0.535 11.045 931 HG3 ARG 122 1HG ARG 122 -3.860 -2.159 10.387 932 HD2 ARG 122 2HD ARG 122 -1.673 -1.761 11.706 933 HD3 ARG 122 1HD ARG 122 -1.526 -2.513 10.121 934 HE ARG 122 HE ARG 122 -1.164 0.387 10.206 935 HH11 ARG 122 1HH1 ARG 122 0.478 -2.733 10.235 936 HH12 ARG 122 2HH1 ARG 122 1.930 -2.103 9.532 937 HH21 ARG 122 1HH2 ARG 122 0.723 1.174 9.235 938 HH22 ARG 122 2HH2 ARG 122 2.071 0.120 8.962 939 H PHE 123 HN PHE 123 -2.489 -3.601 8.903 940 HA PHE 123 HA PHE 123 -3.674 -5.266 6.868 941 HB2 PHE 123 2HB PHE 123 -2.976 -7.154 8.197 942 HB3 PHE 123 1HB PHE 123 -1.642 -6.015 8.195 943 HD1 PHE 123 HD1 PHE 123 -1.350 -4.498 10.286 944 HD2 PHE 123 HD2 PHE 123 -3.875 -7.947 10.265 945 HE1 PHE 123 HE1 PHE 123 -1.311 -4.565 12.738 946 HE2 PHE 123 HE2 PHE 123 -3.816 -7.996 12.714 947 HZ PHE 123 HZ PHE 123 -2.540 -6.309 13.948 948 H VAL 124 HN VAL 124 -5.549 -6.400 7.164 949 HA VAL 124 HA VAL 124 -7.318 -5.704 9.438 950 HB VAL 124 HB VAL 124 -8.157 -6.319 6.555 951 HG11 VAL 124 1HG1 VAL 124 -10.429 -5.654 7.279 952 HG12 VAL 124 2HG1 VAL 124 -9.838 -5.369 8.916 953 HG13 VAL 124 3HG1 VAL 124 -9.845 -7.009 8.255 954 HG21 VAL 124 3HG2 VAL 124 -6.991 -4.108 6.752 955 HG22 VAL 124 1HG2 VAL 124 -8.191 -3.615 7.958 956 HG23 VAL 124 2HG2 VAL 124 -8.697 -3.948 6.298 957 HA PRO 125 HA PRO 125 -6.051 -10.062 9.768 958 HB2 PRO 125 2HB PRO 125 -7.234 -10.659 12.178 959 HB3 PRO 125 1HB PRO 125 -5.744 -9.716 12.045 960 HG2 PRO 125 2HG PRO 125 -8.577 -8.720 12.363 961 HG3 PRO 125 1HG PRO 125 -7.118 -8.205 13.235 962 HD2 PRO 125 2HD PRO 125 -8.088 -6.754 11.176 963 HD3 PRO 125 1HD PRO 125 -6.335 -6.917 11.436 964 H LYS 126 HN LYS 126 -7.051 -12.183 9.584 965 HA LYS 126 HA LYS 126 -9.417 -12.295 8.093 966 HB2 LYS 126 2HB LYS 126 -9.389 -14.744 8.357 967 HB3 LYS 126 1HB LYS 126 -7.795 -14.105 7.980 968 HG2 LYS 126 2HG LYS 126 -7.063 -14.403 10.266 969 HG3 LYS 126 1HG LYS 126 -8.689 -14.853 10.778 970 HD2 LYS 126 2HD LYS 126 -7.161 -16.809 10.550 971 HD3 LYS 126 1HD LYS 126 -8.579 -16.930 9.507 972 HE2 LYS 126 2HE LYS 126 -6.536 -17.662 8.333 973 HE3 LYS 126 1HE LYS 126 -7.205 -16.222 7.570 974 HZ1 LYS 126 3HZ LYS 126 -4.897 -16.308 9.428 975 HZ2 LYS 126 1HZ LYS 126 -5.540 -14.901 8.750 976 HZ3 LYS 126 2HZ LYS 126 -4.825 -16.075 7.761 977 H HIS 127 HN HIS 127 -9.047 -12.223 11.525 978 HA HIS 127 HA HIS 127 -11.593 -13.171 12.407 979 HB2 HIS 127 2HB HIS 127 -9.642 -12.913 13.929 980 HB3 HIS 127 1HB HIS 127 -9.674 -11.171 13.700 981 HD1 HIS 127 HD1 HIS 127 -11.027 -13.861 15.799 982 HD2 HIS 127 HD2 HIS 127 -11.964 -9.896 14.992 983 HE1 HIS 127 HE1 HIS 127 -12.547 -13.122 17.665 984 HE2 HIS 127 HE2 HIS 127 -13.205 -10.768 17.076 985 H LYS 128 HN LYS 128 -10.433 -10.094 11.173 986 HA LYS 128 HA LYS 128 -12.978 -8.738 11.687 987 HB2 LYS 128 2HB LYS 128 -10.892 -7.468 12.060 988 HB3 LYS 128 1HB LYS 128 -10.416 -7.721 10.386 989 HG2 LYS 128 2HG LYS 128 -11.300 -5.448 10.721 990 HG3 LYS 128 1HG LYS 128 -12.314 -6.367 9.609 991 HD2 LYS 128 2HD LYS 128 -13.743 -5.095 11.107 992 HD3 LYS 128 1HD LYS 128 -13.913 -6.811 11.485 993 HE2 LYS 128 2HE LYS 128 -12.323 -6.496 13.392 994 HE3 LYS 128 1HE LYS 128 -12.269 -4.770 13.027 995 HZ1 LYS 128 3HZ LYS 128 -14.635 -6.334 13.874 996 HZ2 LYS 128 1HZ LYS 128 -14.684 -4.718 13.378 997 HZ3 LYS 128 2HZ LYS 128 -13.819 -5.150 14.760 998 H LEU 129 HN LEU 129 -11.233 -10.355 9.102 999 HA LEU 129 HA LEU 129 -12.429 -8.937 6.902 1000 HB2 LEU 129 2HB LEU 129 -10.932 -11.573 7.051 1001 HB3 LEU 129 1HB LEU 129 -11.487 -10.855 5.550 1002 HG LEU 129 HG LEU 129 -9.422 -9.637 7.410 1003 HD11 LEU 129 1HD1 LEU 129 -9.092 -11.037 4.738 1004 HD12 LEU 129 2HD1 LEU 129 -8.559 -11.625 6.325 1005 HD13 LEU 129 3HD1 LEU 129 -7.803 -10.192 5.623 1006 HD21 LEU 129 3HD2 LEU 129 -9.031 -8.009 5.629 1007 HD22 LEU 129 1HD2 LEU 129 -10.691 -7.918 6.215 1008 HD23 LEU 129 2HD2 LEU 129 -10.339 -8.710 4.679 1009 H LYS 130 HN LYS 130 -13.108 -11.938 8.685 1010 HA LYS 130 HA LYS 130 -15.122 -12.991 6.989 1011 HB2 LYS 130 2HB LYS 130 -15.724 -14.377 8.952 1012 HB3 LYS 130 1HB LYS 130 -13.989 -14.379 8.657 1013 HG2 LYS 130 2HG LYS 130 -13.686 -12.736 10.492 1014 HG3 LYS 130 1HG LYS 130 -15.422 -12.765 10.798 1015 HD2 LYS 130 2HD LYS 130 -13.482 -15.087 11.125 1016 HD3 LYS 130 1HD LYS 130 -14.261 -14.172 12.418 1017 HE2 LYS 130 2HE LYS 130 -15.661 -15.964 10.401 1018 HE3 LYS 130 1HE LYS 130 -15.383 -16.328 12.103 1019 HZ1 LYS 130 3HZ LYS 130 -17.633 -15.563 11.689 1020 HZ2 LYS 130 1HZ LYS 130 -17.054 -14.100 11.077 1021 HZ3 LYS 130 2HZ LYS 130 -16.809 -14.492 12.700 1022 H GLU 131 HN GLU 131 -15.082 -10.514 9.439 1023 HA GLU 131 HA GLU 131 -17.978 -10.259 9.645 1024 HB2 GLU 131 2HB GLU 131 -15.831 -8.382 10.719 1025 HB3 GLU 131 1HB GLU 131 -17.503 -8.502 11.252 1026 HG2 GLU 131 2HG GLU 131 -15.357 -10.615 11.652 1027 HG3 GLU 131 1HG GLU 131 -15.915 -9.478 12.872 1028 H GLU 132 HN GLU 132 -15.290 -8.893 7.900 1029 HA GLU 132 HA GLU 132 -16.694 -6.410 7.202 1030 HB2 GLU 132 2HB GLU 132 -14.338 -6.448 8.163 1031 HB3 GLU 132 1HB GLU 132 -13.794 -7.206 6.675 1032 HG2 GLU 132 2HG GLU 132 -13.289 -4.814 6.697 1033 HG3 GLU 132 1HG GLU 132 -14.418 -5.210 5.404 1034 H GLY 133 HN GLY 133 -16.552 -9.481 5.823 1035 HA2 GLY 133 2HA GLY 133 -17.630 -9.784 3.677 1036 HA3 GLY 133 1HA GLY 133 -16.785 -8.379 3.071 1037 H TYR 134 HN TYR 134 -15.687 -11.320 4.766 1038 HA TYR 134 HA TYR 134 -13.411 -12.024 3.602 1039 HB2 TYR 134 2HB TYR 134 -14.004 -14.404 4.052 1040 HB3 TYR 134 1HB TYR 134 -14.402 -13.318 5.375 1041 HD1 TYR 134 HD2 TYR 134 -16.840 -12.666 5.747 1042 HD2 TYR 134 HD1 TYR 134 -15.737 -15.749 3.013 1043 HE1 TYR 134 HE2 TYR 134 -19.136 -13.529 5.796 1044 HE2 TYR 134 HE1 TYR 134 -18.035 -16.613 3.049 1045 HH TYR 134 HH TYR 134 -20.627 -14.875 4.266 1046 H GLU 135 HN GLU 135 -16.460 -12.224 1.837 1047 HA GLU 135 HA GLU 135 -15.704 -14.120 -0.142 1048 HB2 GLU 135 2HB GLU 135 -17.713 -11.867 -0.553 1049 HB3 GLU 135 1HB GLU 135 -17.603 -13.367 -1.457 1050 HG2 GLU 135 2HG GLU 135 -19.287 -14.052 -0.110 1051 HG3 GLU 135 1HG GLU 135 -18.006 -14.363 1.055 1052 H SER 136 HN SER 136 -15.143 -10.699 0.166 1053 HA SER 136 HA SER 136 -14.048 -10.414 -2.561 1054 HB2 SER 136 2HB SER 136 -13.807 -7.982 -1.957 1055 HB3 SER 136 1HB SER 136 -15.467 -8.551 -1.815 1056 HG SER 136 HG SER 136 -15.310 -8.520 0.359 1057 H TYR 137 HN TYR 137 -13.175 -10.092 0.852 1058 HA TYR 137 HA TYR 137 -10.501 -9.307 0.430 1059 HB2 TYR 137 2HB TYR 137 -12.007 -10.253 2.888 1060 HB3 TYR 137 1HB TYR 137 -10.333 -9.705 2.949 1061 HD1 TYR 137 HD1 TYR 137 -10.097 -7.327 1.445 1062 HD2 TYR 137 HD2 TYR 137 -13.490 -8.593 3.696 1063 HE1 TYR 137 HE1 TYR 137 -10.805 -4.994 1.690 1064 HE2 TYR 137 HE2 TYR 137 -14.200 -6.263 3.926 1065 HH TYR 137 HH TYR 137 -13.178 -4.007 3.889 1066 H LEU 138 HN LEU 138 -11.742 -12.405 1.737 1067 HA LEU 138 HA LEU 138 -9.154 -13.627 1.924 1068 HB2 LEU 138 2HB LEU 138 -11.949 -14.744 2.225 1069 HB3 LEU 138 1HB LEU 138 -10.571 -15.836 2.199 1070 HG LEU 138 HG LEU 138 -9.615 -14.795 4.197 1071 HD11 LEU 138 1HD1 LEU 138 -10.737 -12.984 5.396 1072 HD12 LEU 138 2HD1 LEU 138 -11.920 -12.846 4.092 1073 HD13 LEU 138 3HD1 LEU 138 -10.218 -12.475 3.787 1074 HD21 LEU 138 3HD2 LEU 138 -11.393 -15.201 5.892 1075 HD22 LEU 138 1HD2 LEU 138 -11.231 -16.519 4.718 1076 HD23 LEU 138 2HD2 LEU 138 -12.566 -15.369 4.578 1077 H HIS 139 HN HIS 139 -11.426 -13.448 -0.658 1078 HA HIS 139 HA HIS 139 -10.477 -15.306 -2.504 1079 HB2 HIS 139 2HB HIS 139 -12.443 -13.911 -2.919 1080 HB3 HIS 139 1HB HIS 139 -11.469 -12.450 -2.881 1081 HD1 HIS 139 HD1 HIS 139 -11.148 -11.519 -5.139 1082 HD2 HIS 139 HD2 HIS 139 -11.443 -15.668 -5.240 1083 HE1 HIS 139 HE1 HIS 139 -11.011 -12.146 -7.568 1084 HE2 HIS 139 HE2 HIS 139 -10.960 -14.658 -7.572 1085 H LEU 140 HN LEU 140 -9.110 -12.247 -1.488 1086 HA LEU 140 HA LEU 140 -6.888 -12.305 -3.418 1087 HB2 LEU 140 2HB LEU 140 -7.686 -10.211 -1.348 1088 HB3 LEU 140 1HB LEU 140 -6.483 -10.010 -2.618 1089 HG LEU 140 HG LEU 140 -9.426 -10.532 -3.212 1090 HD11 LEU 140 1HD1 LEU 140 -9.278 -8.443 -1.979 1091 HD12 LEU 140 2HD1 LEU 140 -9.698 -8.153 -3.664 1092 HD13 LEU 140 3HD1 LEU 140 -8.054 -7.835 -3.100 1093 HD21 LEU 140 3HD2 LEU 140 -7.908 -11.107 -5.034 1094 HD22 LEU 140 1HD2 LEU 140 -7.186 -9.498 -4.977 1095 HD23 LEU 140 2HD2 LEU 140 -8.876 -9.698 -5.461 1096 H PHE 141 HN PHE 141 -7.567 -12.446 0.054 1097 HA PHE 141 HA PHE 141 -4.990 -12.188 1.107 1098 HB2 PHE 141 2HB PHE 141 -6.904 -11.877 2.550 1099 HB3 PHE 141 1HB PHE 141 -7.497 -13.500 2.227 1100 HD1 PHE 141 HD1 PHE 141 -4.480 -11.770 3.680 1101 HD2 PHE 141 HD2 PHE 141 -7.080 -15.174 3.839 1102 HE1 PHE 141 HE1 PHE 141 -3.282 -12.609 5.647 1103 HE2 PHE 141 HE2 PHE 141 -5.861 -15.994 5.811 1104 HZ PHE 141 HZ PHE 141 -3.962 -14.717 6.713 1105 H ASN 142 HN ASN 142 -6.760 -15.161 0.188 1106 HA ASN 142 HA ASN 142 -4.205 -16.643 0.470 1107 HB2 ASN 142 2HB ASN 142 -6.105 -17.513 1.883 1108 HB3 ASN 142 1HB ASN 142 -7.004 -17.852 0.409 1109 HD21 ASN 142 1HD2 ASN 142 -6.274 -19.547 -0.960 1110 HD22 ASN 142 2HD2 ASN 142 -5.170 -20.758 -0.403 1111 H LYS 143 HN LYS 143 -3.931 -15.281 -1.535 1112 HA LYS 143 HA LYS 143 -4.694 -16.823 -3.934 1113 HB2 LYS 143 2HB LYS 143 -4.954 -14.294 -3.987 1114 HB3 LYS 143 1HB LYS 143 -3.215 -14.143 -3.766 1115 HG2 LYS 143 2HG LYS 143 -3.870 -13.853 -6.126 1116 HG3 LYS 143 1HG LYS 143 -2.817 -15.259 -5.921 1117 HD2 LYS 143 2HD LYS 143 -4.709 -16.781 -6.091 1118 HD3 LYS 143 1HD LYS 143 -5.858 -15.439 -6.060 1119 HE2 LYS 143 2HE LYS 143 -3.818 -15.921 -8.263 1120 HE3 LYS 143 1HE LYS 143 -5.518 -16.390 -8.345 1121 HZ1 LYS 143 3HZ LYS 143 -5.249 -14.325 -9.470 1122 HZ2 LYS 143 1HZ LYS 143 -4.430 -13.638 -8.161 1123 HZ3 LYS 143 2HZ LYS 143 -6.072 -14.001 -8.027 1124 H LEU 144 HN LEU 144 -3.334 -18.454 -4.295 1125 HA LEU 144 HA LEU 144 -0.841 -18.724 -2.894 1126 HB2 LEU 144 2HB LEU 144 -2.101 -20.537 -4.985 1127 HB3 LEU 144 1HB LEU 144 -0.824 -20.983 -3.864 1128 HG LEU 144 HG LEU 144 -3.694 -20.283 -3.083 1129 HD11 LEU 144 1HD1 LEU 144 -3.960 -22.650 -2.525 1130 HD12 LEU 144 2HD1 LEU 144 -2.329 -22.991 -3.107 1131 HD13 LEU 144 3HD1 LEU 144 -3.572 -22.437 -4.232 1132 HD21 LEU 144 3HD2 LEU 144 -1.418 -21.249 -1.324 1133 HD22 LEU 144 1HD2 LEU 144 -3.094 -21.013 -0.811 1134 HD23 LEU 144 2HD2 LEU 144 -2.128 -19.633 -1.321 1135 H GLU 145 HN GLU 145 1.131 -19.590 -4.111 1136 HA GLU 145 HA GLU 145 2.109 -17.413 -5.668 1137 HB2 GLU 145 2HB GLU 145 4.256 -18.650 -5.694 1138 HB3 GLU 145 1HB GLU 145 3.553 -18.559 -4.083 1139 HG2 GLU 145 2HG GLU 145 2.804 -20.865 -4.214 1140 HG3 GLU 145 1HG GLU 145 3.343 -20.987 -5.886 1141 H HIS 146 HN HIS 146 2.806 -17.303 -7.769 1142 HA HIS 146 HA HIS 146 2.484 -19.585 -9.615 1143 HB2 HIS 146 2HB HIS 146 1.430 -16.756 -10.125 1144 HB3 HIS 146 1HB HIS 146 1.560 -18.005 -11.362 1145 HD1 HIS 146 HD1 HIS 146 -0.425 -17.039 -8.334 1146 HD2 HIS 146 HD2 HIS 146 -0.440 -19.967 -11.279 1147 HE1 HIS 146 HE1 HIS 146 -2.622 -18.212 -8.096 1148 HE2 HIS 146 HE2 HIS 146 -2.687 -19.848 -9.996 1149 H HIS 147 HN HIS 147 3.770 -19.354 -11.545 1150 HA HIS 147 HA HIS 147 6.068 -17.506 -11.332 1151 HB2 HIS 147 2HB HIS 147 7.568 -19.493 -11.980 1152 HB3 HIS 147 1HB HIS 147 6.955 -19.477 -10.334 1153 HD1 HIS 147 HD1 HIS 147 5.110 -21.237 -9.742 1154 HD2 HIS 147 HD2 HIS 147 6.794 -21.715 -13.508 1155 HE1 HIS 147 HE1 HIS 147 4.459 -23.545 -10.484 1156 HE2 HIS 147 HE2 HIS 147 5.605 -23.859 -12.700 Start of MODEL 12 1 H1 MET 1 1H MET 1 -18.292 6.067 21.065 2 H2 MET 1 2H MET 1 -16.855 6.296 20.212 3 H3 MET 1 3H MET 1 -17.555 4.763 20.284 4 HA MET 1 HA MET 1 -19.465 5.531 19.073 5 HB2 MET 1 2HB MET 1 -17.902 8.150 18.967 6 HB3 MET 1 1HB MET 1 -19.259 7.795 17.903 7 HG2 MET 1 2HG MET 1 -20.730 7.567 19.885 8 HG3 MET 1 1HG MET 1 -19.368 8.007 20.923 9 HE1 MET 1 3HE MET 1 -21.107 9.986 21.899 10 HE2 MET 1 1HE MET 1 -22.308 9.478 20.717 11 HE3 MET 1 2HE MET 1 -21.847 11.175 20.826 12 H ALA 2 HN ALA 2 -19.467 4.822 16.997 13 HA ALA 2 HA ALA 2 -16.992 4.005 15.738 14 HB1 ALA 2 3HB ALA 2 -18.451 2.974 14.043 15 HB2 ALA 2 1HB ALA 2 -19.857 3.792 14.732 16 HB3 ALA 2 2HB ALA 2 -19.004 2.565 15.669 17 H TYR 3 HN TYR 3 -15.861 5.755 15.051 18 HA TYR 3 HA TYR 3 -16.988 8.067 13.800 19 HB2 TYR 3 2HB TYR 3 -14.078 7.173 14.022 20 HB3 TYR 3 1HB TYR 3 -14.613 8.765 13.488 21 HD1 TYR 3 HD2 TYR 3 -16.230 10.044 15.189 22 HD2 TYR 3 HD1 TYR 3 -13.538 6.922 16.339 23 HE1 TYR 3 HE2 TYR 3 -16.279 10.856 17.500 24 HE2 TYR 3 HE1 TYR 3 -13.601 7.744 18.658 25 HH TYR 3 HH TYR 3 -14.087 9.989 19.815 26 H ASN 4 HN ASN 4 -17.442 8.401 11.757 27 HA ASN 4 HA ASN 4 -17.014 6.618 9.603 28 HB2 ASN 4 2HB ASN 4 -17.711 9.593 9.611 29 HB3 ASN 4 1HB ASN 4 -17.757 8.579 8.174 30 HD21 ASN 4 1HD2 ASN 4 -19.437 7.091 7.920 31 HD22 ASN 4 2HD2 ASN 4 -20.855 7.128 8.907 32 H LYS 5 HN LYS 5 -15.848 7.308 7.534 33 HA LYS 5 HA LYS 5 -13.094 7.810 8.031 34 HB2 LYS 5 2HB LYS 5 -14.655 7.911 5.418 35 HB3 LYS 5 1HB LYS 5 -12.899 7.996 5.539 36 HG2 LYS 5 2HG LYS 5 -14.626 5.639 6.371 37 HG3 LYS 5 1HG LYS 5 -13.638 5.751 4.909 38 HD2 LYS 5 2HD LYS 5 -11.588 5.894 6.283 39 HD3 LYS 5 1HD LYS 5 -12.556 5.833 7.758 40 HE2 LYS 5 2HE LYS 5 -11.609 3.646 7.343 41 HE3 LYS 5 1HE LYS 5 -13.352 3.561 7.087 42 HZ1 LYS 5 3HZ LYS 5 -12.974 3.706 4.715 43 HZ2 LYS 5 1HZ LYS 5 -12.139 2.392 5.367 44 HZ3 LYS 5 2HZ LYS 5 -11.302 3.803 4.948 45 H GLU 6 HN GLU 6 -15.626 9.833 6.457 46 HA GLU 6 HA GLU 6 -14.675 12.274 6.257 47 HB2 GLU 6 2HB GLU 6 -17.340 11.664 7.582 48 HB3 GLU 6 1HB GLU 6 -16.924 13.155 6.737 49 HG2 GLU 6 2HG GLU 6 -17.255 10.388 5.528 50 HG3 GLU 6 1HG GLU 6 -18.310 11.785 5.308 51 H GLU 7 HN GLU 7 -14.742 10.768 9.316 52 HA GLU 7 HA GLU 7 -14.687 13.277 10.876 53 HB2 GLU 7 2HB GLU 7 -15.937 10.977 11.523 54 HB3 GLU 7 1HB GLU 7 -14.354 10.538 12.147 55 HG2 GLU 7 2HG GLU 7 -15.993 12.955 12.976 56 HG3 GLU 7 1HG GLU 7 -15.880 11.448 13.872 57 H LYS 8 HN LYS 8 -12.773 10.556 9.774 58 HA LYS 8 HA LYS 8 -10.501 11.111 11.530 59 HB2 LYS 8 2HB LYS 8 -11.036 8.762 9.676 60 HB3 LYS 8 1HB LYS 8 -9.733 8.873 10.863 61 HG2 LYS 8 2HG LYS 8 -11.435 9.005 12.683 62 HG3 LYS 8 1HG LYS 8 -12.709 8.844 11.476 63 HD2 LYS 8 2HD LYS 8 -12.337 6.706 12.555 64 HD3 LYS 8 1HD LYS 8 -11.819 6.599 10.869 65 HE2 LYS 8 2HE LYS 8 -9.479 6.817 11.544 66 HE3 LYS 8 1HE LYS 8 -9.954 7.057 13.225 67 HZ1 LYS 8 3HZ LYS 8 -9.233 4.808 12.845 68 HZ2 LYS 8 1HZ LYS 8 -10.379 4.606 11.624 69 HZ3 LYS 8 2HZ LYS 8 -10.883 4.820 13.223 70 H ILE 9 HN ILE 9 -11.362 11.382 8.167 71 HA ILE 9 HA ILE 9 -8.950 10.952 6.830 72 HB ILE 9 HB ILE 9 -11.380 12.625 6.110 73 HG12 ILE 9 2HG1 ILE 9 -11.793 10.229 6.076 74 HG13 ILE 9 1HG1 ILE 9 -11.804 10.826 4.429 75 HG21 ILE 9 1HG2 ILE 9 -9.540 13.707 4.919 76 HG22 ILE 9 2HG2 ILE 9 -10.595 12.862 3.790 77 HG23 ILE 9 3HG2 ILE 9 -9.038 12.161 4.233 78 HD11 ILE 9 3HD1 ILE 9 -9.569 9.922 4.084 79 HD12 ILE 9 1HD1 ILE 9 -10.696 8.677 4.615 80 HD13 ILE 9 2HD1 ILE 9 -9.534 9.352 5.755 81 H LYS 10 HN LYS 10 -10.193 13.851 8.385 82 HA LYS 10 HA LYS 10 -8.572 15.809 7.276 83 HB2 LYS 10 2HB LYS 10 -10.037 15.624 9.927 84 HB3 LYS 10 1HB LYS 10 -9.092 17.047 9.524 85 HG2 LYS 10 2HG LYS 10 -11.514 17.334 9.083 86 HG3 LYS 10 1HG LYS 10 -10.520 17.565 7.644 87 HD2 LYS 10 2HD LYS 10 -11.162 15.380 6.784 88 HD3 LYS 10 1HD LYS 10 -12.006 14.983 8.284 89 HE2 LYS 10 2HE LYS 10 -12.814 17.286 6.471 90 HE3 LYS 10 1HE LYS 10 -13.493 15.663 6.347 91 HZ1 LYS 10 3HZ LYS 10 -14.939 16.983 7.660 92 HZ2 LYS 10 1HZ LYS 10 -13.682 17.491 8.672 93 HZ3 LYS 10 2HZ LYS 10 -14.188 15.879 8.695 94 H SER 11 HN SER 11 -7.983 13.789 10.137 95 HA SER 11 HA SER 11 -5.297 14.914 10.548 96 HB2 SER 11 2HB SER 11 -6.726 12.637 11.987 97 HB3 SER 11 1HB SER 11 -5.155 13.304 12.447 98 HG SER 11 HG SER 11 -7.452 14.924 12.210 99 H LEU 12 HN LEU 12 -6.728 11.692 9.803 100 HA LEU 12 HA LEU 12 -4.667 10.126 9.376 101 HB2 LEU 12 2HB LEU 12 -7.084 9.595 9.199 102 HB3 LEU 12 1HB LEU 12 -7.116 10.321 7.601 103 HG LEU 12 HG LEU 12 -5.589 8.533 6.771 104 HD11 LEU 12 1HD1 LEU 12 -4.375 8.003 8.803 105 HD12 LEU 12 2HD1 LEU 12 -5.138 6.549 8.165 106 HD13 LEU 12 3HD1 LEU 12 -5.841 7.370 9.562 107 HD21 LEU 12 3HD2 LEU 12 -8.017 8.273 6.526 108 HD22 LEU 12 1HD2 LEU 12 -8.117 7.495 8.109 109 HD23 LEU 12 2HD2 LEU 12 -7.248 6.713 6.788 110 H ASN 13 HN ASN 13 -5.965 12.105 6.670 111 HA ASN 13 HA ASN 13 -4.067 11.133 4.761 112 HB2 ASN 13 2HB ASN 13 -5.951 13.519 4.634 113 HB3 ASN 13 1HB ASN 13 -4.929 13.016 3.290 114 HD21 ASN 13 1HD2 ASN 13 -6.804 10.981 5.560 115 HD22 ASN 13 2HD2 ASN 13 -7.798 10.293 4.345 116 H ARG 14 HN ARG 14 -4.166 13.843 6.945 117 HA ARG 14 HA ARG 14 -2.130 15.444 5.813 118 HB2 ARG 14 2HB ARG 14 -3.775 16.150 7.603 119 HB3 ARG 14 1HB ARG 14 -2.858 15.192 8.761 120 HG2 ARG 14 2HG ARG 14 -0.891 16.629 8.420 121 HG3 ARG 14 1HG ARG 14 -1.771 17.567 7.208 122 HD2 ARG 14 2HD ARG 14 -2.432 17.346 10.166 123 HD3 ARG 14 1HD ARG 14 -1.780 18.761 9.333 124 HE ARG 14 HE ARG 14 -4.195 18.035 8.090 125 HH11 ARG 14 1HH1 ARG 14 -3.134 19.407 11.135 126 HH12 ARG 14 2HH1 ARG 14 -4.631 20.231 11.409 127 HH21 ARG 14 1HH2 ARG 14 -6.145 19.093 8.462 128 HH22 ARG 14 2HH2 ARG 14 -6.346 20.050 9.891 129 H MET 15 HN MET 15 -2.070 12.568 7.784 130 HA MET 15 HA MET 15 0.802 12.597 8.282 131 HB2 MET 15 2HB MET 15 -1.127 10.283 8.714 132 HB3 MET 15 1HB MET 15 0.454 10.509 9.458 133 HG2 MET 15 2HG MET 15 -0.429 12.449 10.708 134 HG3 MET 15 1HG MET 15 -2.017 12.184 9.976 135 HE1 MET 15 3HE MET 15 -3.255 9.671 10.254 136 HE2 MET 15 1HE MET 15 -2.719 8.499 11.456 137 HE3 MET 15 2HE MET 15 -1.745 8.789 10.019 138 H GLN 16 HN GLN 16 -1.492 10.481 6.467 139 HA GLN 16 HA GLN 16 0.458 8.755 5.388 140 HB2 GLN 16 2HB GLN 16 -2.312 9.322 4.258 141 HB3 GLN 16 1HB GLN 16 -1.318 7.902 3.931 142 HG2 GLN 16 2HG GLN 16 -1.502 7.267 6.329 143 HG3 GLN 16 1HG GLN 16 -2.581 8.642 6.589 144 HE21 GLN 16 1HE2 GLN 16 -3.201 5.819 6.958 145 HE22 GLN 16 2HE2 GLN 16 -4.505 5.458 5.888 146 H TYR 17 HN TYR 17 -1.359 11.359 3.815 147 HA TYR 17 HA TYR 17 -0.001 11.398 1.349 148 HB2 TYR 17 2HB TYR 17 -2.102 12.624 1.578 149 HB3 TYR 17 1HB TYR 17 -1.376 13.747 2.716 150 HD1 TYR 17 HD1 TYR 17 -1.056 12.553 -0.843 151 HD2 TYR 17 HD2 TYR 17 -0.466 15.789 1.900 152 HE1 TYR 17 HE1 TYR 17 -0.420 14.025 -2.707 153 HE2 TYR 17 HE2 TYR 17 0.169 17.255 0.033 154 HH TYR 17 HH TYR 17 1.020 17.108 -2.218 155 H GLU 18 HN GLU 18 0.873 13.113 4.374 156 HA GLU 18 HA GLU 18 3.151 14.501 3.464 157 HB2 GLU 18 2HB GLU 18 2.283 14.844 5.737 158 HB3 GLU 18 1HB GLU 18 2.669 13.186 6.173 159 HG2 GLU 18 2HG GLU 18 5.103 13.739 5.806 160 HG3 GLU 18 1HG GLU 18 4.631 15.419 5.577 161 H VAL 19 HN VAL 19 2.709 11.173 4.487 162 HA VAL 19 HA VAL 19 5.451 10.364 4.457 163 HB VAL 19 HB VAL 19 2.829 8.814 4.460 164 HG11 VAL 19 1HG1 VAL 19 4.456 7.393 3.320 165 HG12 VAL 19 2HG1 VAL 19 4.133 6.759 4.934 166 HG13 VAL 19 3HG1 VAL 19 5.621 7.651 4.617 167 HG21 VAL 19 3HG2 VAL 19 4.945 9.216 6.604 168 HG22 VAL 19 1HG2 VAL 19 3.455 8.296 6.793 169 HG23 VAL 19 2HG2 VAL 19 3.385 10.040 6.531 170 H THR 20 HN THR 20 2.784 9.885 2.112 171 HA THR 20 HA THR 20 4.140 8.852 -0.049 172 HB THR 20 HB THR 20 1.958 10.983 -0.289 173 HG1 THR 20 HG1 THR 20 0.508 9.189 -0.139 174 HG21 THR 20 3HG2 THR 20 2.991 10.300 -2.443 175 HG22 THR 20 1HG2 THR 20 1.319 9.753 -2.334 176 HG23 THR 20 2HG2 THR 20 2.639 8.607 -2.079 177 H GLN 21 HN GLN 21 4.051 12.163 1.108 178 HA GLN 21 HA GLN 21 4.968 13.467 -1.252 179 HB2 GLN 21 2HB GLN 21 3.580 14.626 0.380 180 HB3 GLN 21 1HB GLN 21 4.763 14.387 1.646 181 HG2 GLN 21 2HG GLN 21 5.581 15.994 -0.754 182 HG3 GLN 21 1HG GLN 21 4.461 16.731 0.392 183 HE21 GLN 21 1HE2 GLN 21 5.155 17.067 2.559 184 HE22 GLN 21 2HE2 GLN 21 6.838 17.203 2.940 185 H ASN 22 HN ASN 22 6.624 12.352 1.716 186 HA ASN 22 HA ASN 22 9.227 13.117 0.496 187 HB2 ASN 22 2HB ASN 22 10.125 13.542 2.658 188 HB3 ASN 22 1HB ASN 22 8.560 14.332 2.628 189 HD21 ASN 22 1HD2 ASN 22 6.871 13.463 3.918 190 HD22 ASN 22 2HD2 ASN 22 7.201 12.387 5.228 191 H ASN 23 HN ASN 23 7.412 10.450 0.759 192 HA ASN 23 HA ASN 23 7.719 8.189 0.776 193 HB2 ASN 23 2HB ASN 23 10.655 8.889 0.316 194 HB3 ASN 23 1HB ASN 23 10.020 7.250 0.244 195 HD21 ASN 23 1HD2 ASN 23 10.586 6.957 -1.910 196 HD22 ASN 23 2HD2 ASN 23 9.820 7.798 -3.210 197 H GLY 24 HN GLY 24 7.594 9.584 3.177 198 HA2 GLY 24 2HA GLY 24 9.669 8.887 5.019 199 HA3 GLY 24 1HA GLY 24 8.168 9.721 5.373 200 H THR 25 HN THR 25 8.955 8.169 7.177 201 HA THR 25 HA THR 25 7.264 5.724 7.120 202 HB THR 25 HB THR 25 9.183 6.624 9.335 203 HG1 THR 25 HG1 THR 25 10.169 6.159 7.209 204 HG21 THR 25 3HG2 THR 25 7.988 3.878 8.759 205 HG22 THR 25 1HG2 THR 25 7.495 4.953 10.072 206 HG23 THR 25 2HG2 THR 25 9.121 4.262 10.058 207 H GLU 26 HN GLU 26 5.679 5.553 8.978 208 HA GLU 26 HA GLU 26 4.223 7.871 9.627 209 HB2 GLU 26 2HB GLU 26 3.283 5.578 9.825 210 HB3 GLU 26 1HB GLU 26 4.426 5.195 11.101 211 HG2 GLU 26 2HG GLU 26 3.274 7.165 12.391 212 HG3 GLU 26 1HG GLU 26 1.989 6.976 11.201 213 HA PRO 27 HA PRO 27 6.977 9.319 13.089 214 HB2 PRO 27 2HB PRO 27 4.768 11.338 13.386 215 HB3 PRO 27 1HB PRO 27 6.511 11.604 13.251 216 HG2 PRO 27 2HG PRO 27 4.870 12.199 11.202 217 HG3 PRO 27 1HG PRO 27 6.483 11.514 10.907 218 HD2 PRO 27 2HD PRO 27 3.799 10.114 10.883 219 HD3 PRO 27 1HD PRO 27 5.157 9.970 9.736 220 HA PRO 28 HA PRO 28 4.730 6.240 15.249 221 HB2 PRO 28 2HB PRO 28 5.841 7.328 17.836 222 HB3 PRO 28 1HB PRO 28 5.902 5.683 17.184 223 HG2 PRO 28 2HG PRO 28 8.063 7.218 17.053 224 HG3 PRO 28 1HG PRO 28 7.619 6.205 15.661 225 HD2 PRO 28 2HD PRO 28 7.212 9.174 16.048 226 HD3 PRO 28 1HD PRO 28 7.743 8.288 14.600 227 H PHE 29 HN PHE 29 2.648 7.213 14.758 228 HA PHE 29 HA PHE 29 1.238 8.667 16.884 229 HB2 PHE 29 2HB PHE 29 0.340 7.715 14.114 230 HB3 PHE 29 1HB PHE 29 -0.744 8.497 15.257 231 HD1 PHE 29 HD2 PHE 29 0.058 10.869 16.121 232 HD2 PHE 29 HD1 PHE 29 1.433 9.049 12.502 233 HE1 PHE 29 HE2 PHE 29 0.739 13.068 15.270 234 HE2 PHE 29 HE1 PHE 29 2.105 11.257 11.653 235 HZ PHE 29 HZ PHE 29 1.766 13.265 13.039 236 H GLN 30 HN GLN 30 0.664 5.733 14.929 237 HA GLN 30 HA GLN 30 -1.215 4.690 16.909 238 HB2 GLN 30 2HB GLN 30 -1.693 4.629 14.434 239 HB3 GLN 30 1HB GLN 30 -0.326 3.534 14.224 240 HG2 GLN 30 2HG GLN 30 -1.504 1.942 15.825 241 HG3 GLN 30 1HG GLN 30 -2.908 3.008 15.725 242 HE21 GLN 30 1HE2 GLN 30 -2.648 0.240 14.941 243 HE22 GLN 30 2HE2 GLN 30 -3.036 0.160 13.260 244 H ASN 31 HN ASN 31 1.831 3.765 15.311 245 HA ASN 31 HA ASN 31 2.313 1.680 17.380 246 HB2 ASN 31 2HB ASN 31 3.464 1.635 14.559 247 HB3 ASN 31 1HB ASN 31 3.318 0.308 15.705 248 HD21 ASN 31 1HD2 ASN 31 1.619 2.300 13.356 249 HD22 ASN 31 2HD2 ASN 31 0.256 1.252 13.165 250 H GLU 32 HN GLU 32 4.321 1.736 18.348 251 HA GLU 32 HA GLU 32 6.129 3.937 17.709 252 HB2 GLU 32 2HB GLU 32 7.364 3.372 19.718 253 HB3 GLU 32 1HB GLU 32 5.654 3.471 20.094 254 HG2 GLU 32 2HG GLU 32 7.141 0.858 19.677 255 HG3 GLU 32 1HG GLU 32 6.945 1.628 21.250 256 H TYR 33 HN TYR 33 6.055 0.389 17.588 257 HA TYR 33 HA TYR 33 8.655 0.365 16.159 258 HB2 TYR 33 2HB TYR 33 8.641 -0.714 18.446 259 HB3 TYR 33 1HB TYR 33 7.468 -1.878 17.851 260 HD1 TYR 33 HD1 TYR 33 10.965 -0.642 17.337 261 HD2 TYR 33 HD2 TYR 33 8.223 -3.869 16.694 262 HE1 TYR 33 HE1 TYR 33 12.812 -2.064 16.557 263 HE2 TYR 33 HE2 TYR 33 10.077 -5.280 15.914 264 HH TYR 33 HH TYR 33 13.335 -4.454 16.375 265 H TRP 34 HN TRP 34 5.346 -0.029 15.700 266 HA TRP 34 HA TRP 34 3.981 -1.031 14.207 267 HB2 TRP 34 2HB TRP 34 6.496 -1.025 12.471 268 HB3 TRP 34 1HB TRP 34 4.862 -1.319 11.864 269 HD1 TRP 34 HD1 TRP 34 3.188 0.807 11.737 270 HE1 TRP 34 HE1 TRP 34 3.562 3.342 11.910 271 HE3 TRP 34 HE3 TRP 34 8.039 0.825 13.395 272 HZ2 TRP 34 HZ2 TRP 34 5.642 5.106 12.600 273 HZ3 TRP 34 HZ3 TRP 34 9.157 2.988 13.767 274 HH2 TRP 34 HH2 TRP 34 7.976 5.092 13.372 275 H ASP 35 HN ASP 35 4.681 -2.617 16.138 276 HA ASP 35 HA ASP 35 5.872 -5.107 15.601 277 HB2 ASP 35 2HB ASP 35 3.700 -4.531 17.663 278 HB3 ASP 35 1HB ASP 35 4.858 -5.857 17.702 279 H HIS 36 HN HIS 36 2.720 -3.866 14.883 280 HA HIS 36 HA HIS 36 1.268 -6.333 14.765 281 HB2 HIS 36 2HB HIS 36 0.613 -3.630 13.536 282 HB3 HIS 36 1HB HIS 36 -0.511 -4.979 13.681 283 HD1 HIS 36 HD1 HIS 36 -0.138 -1.915 15.115 284 HD2 HIS 36 HD2 HIS 36 -0.362 -5.697 16.807 285 HE1 HIS 36 HE1 HIS 36 -0.930 -1.545 17.462 286 HE2 HIS 36 HE2 HIS 36 -0.932 -3.827 18.504 287 H LYS 37 HN LYS 37 2.421 -7.702 13.493 288 HA LYS 37 HA LYS 37 2.590 -7.189 10.576 289 HB2 LYS 37 2HB LYS 37 4.712 -7.691 11.921 290 HB3 LYS 37 1HB LYS 37 4.054 -9.288 12.248 291 HG2 LYS 37 2HG LYS 37 4.133 -9.853 9.879 292 HG3 LYS 37 1HG LYS 37 4.656 -8.216 9.470 293 HD2 LYS 37 2HD LYS 37 6.205 -10.218 11.156 294 HD3 LYS 37 1HD LYS 37 6.554 -9.795 9.479 295 HE2 LYS 37 2HE LYS 37 7.072 -7.475 10.166 296 HE3 LYS 37 1HE LYS 37 6.680 -7.874 11.841 297 HZ1 LYS 37 3HZ LYS 37 8.511 -9.459 11.834 298 HZ2 LYS 37 1HZ LYS 37 9.041 -7.896 11.475 299 HZ3 LYS 37 2HZ LYS 37 8.891 -9.036 10.240 300 H GLU 38 HN GLU 38 0.218 -7.832 12.049 301 HA GLU 38 HA GLU 38 -0.407 -10.563 12.270 302 HB2 GLU 38 2HB GLU 38 -2.225 -8.118 12.067 303 HB3 GLU 38 1HB GLU 38 -2.759 -9.727 12.558 304 HG2 GLU 38 2HG GLU 38 -1.398 -9.663 14.542 305 HG3 GLU 38 1HG GLU 38 -0.596 -8.185 14.019 306 H GLU 39 HN GLU 39 -0.980 -11.999 10.792 307 HA GLU 39 HA GLU 39 -0.686 -11.509 8.044 308 HB2 GLU 39 2HB GLU 39 -1.335 -13.892 7.789 309 HB3 GLU 39 1HB GLU 39 -0.122 -13.658 9.033 310 HG2 GLU 39 2HG GLU 39 -1.569 -15.252 9.975 311 HG3 GLU 39 1HG GLU 39 -2.068 -13.742 10.728 312 H GLY 40 HN GLY 40 -2.278 -11.805 6.323 313 HA2 GLY 40 2HA GLY 40 -4.784 -11.979 5.922 314 HA3 GLY 40 1HA GLY 40 -4.909 -10.661 7.086 315 H LEU 41 HN LEU 41 -4.955 -8.613 6.217 316 HA LEU 41 HA LEU 41 -3.630 -8.172 3.608 317 HB2 LEU 41 2HB LEU 41 -6.388 -7.329 4.531 318 HB3 LEU 41 1HB LEU 41 -5.548 -6.385 3.311 319 HG LEU 41 HG LEU 41 -6.232 -9.334 3.032 320 HD11 LEU 41 1HD1 LEU 41 -8.273 -7.989 3.032 321 HD12 LEU 41 2HD1 LEU 41 -7.946 -8.644 1.429 322 HD13 LEU 41 3HD1 LEU 41 -7.610 -6.936 1.771 323 HD21 LEU 41 3HD2 LEU 41 -5.114 -7.376 1.001 324 HD22 LEU 41 1HD2 LEU 41 -5.615 -9.040 0.674 325 HD23 LEU 41 2HD2 LEU 41 -4.250 -8.727 1.744 326 H TYR 42 HN TYR 42 -2.966 -6.086 3.180 327 HA TYR 42 HA TYR 42 -2.962 -4.051 5.303 328 HB2 TYR 42 2HB TYR 42 -0.903 -4.568 3.118 329 HB3 TYR 42 1HB TYR 42 -1.007 -3.028 3.964 330 HD1 TYR 42 HD1 TYR 42 -1.436 -3.811 6.772 331 HD2 TYR 42 HD2 TYR 42 1.126 -5.559 3.824 332 HE1 TYR 42 HE1 TYR 42 0.058 -4.617 8.547 333 HE2 TYR 42 HE2 TYR 42 2.606 -6.369 5.602 334 HH TYR 42 HH TYR 42 1.742 -6.463 8.837 335 H VAL 43 HN VAL 43 -4.473 -2.609 4.813 336 HA VAL 43 HA VAL 43 -5.165 -2.050 1.990 337 HB VAL 43 HB VAL 43 -7.515 -1.795 2.634 338 HG11 VAL 43 1HG1 VAL 43 -6.486 -4.447 3.722 339 HG12 VAL 43 2HG1 VAL 43 -6.747 -4.076 2.014 340 HG13 VAL 43 3HG1 VAL 43 -8.120 -4.117 3.129 341 HG21 VAL 43 3HG2 VAL 43 -8.355 -2.322 4.905 342 HG22 VAL 43 1HG2 VAL 43 -7.250 -0.943 4.932 343 HG23 VAL 43 2HG2 VAL 43 -6.694 -2.531 5.473 344 H ASP 44 HN ASP 44 -5.913 0.189 1.615 345 HA ASP 44 HA ASP 44 -4.459 2.068 3.267 346 HB2 ASP 44 2HB ASP 44 -5.353 3.803 1.688 347 HB3 ASP 44 1HB ASP 44 -4.469 2.510 0.890 348 H ILE 45 HN ILE 45 -5.257 2.747 5.096 349 HA ILE 45 HA ILE 45 -7.682 2.341 6.258 350 HB ILE 45 HB ILE 45 -6.001 4.824 6.827 351 HG12 ILE 45 2HG1 ILE 45 -5.669 1.996 7.928 352 HG13 ILE 45 1HG1 ILE 45 -4.574 2.797 6.812 353 HG21 ILE 45 1HG2 ILE 45 -7.869 3.264 8.666 354 HG22 ILE 45 2HG2 ILE 45 -8.198 4.850 7.967 355 HG23 ILE 45 3HG2 ILE 45 -6.889 4.660 9.131 356 HD11 ILE 45 3HD1 ILE 45 -4.030 4.436 8.549 357 HD12 ILE 45 1HD1 ILE 45 -3.667 2.777 9.031 358 HD13 ILE 45 2HD1 ILE 45 -5.098 3.585 9.670 359 H VAL 46 HN VAL 46 -6.869 5.055 4.160 360 HA VAL 46 HA VAL 46 -9.016 6.778 4.637 361 HB VAL 46 HB VAL 46 -8.544 7.716 2.313 362 HG11 VAL 46 1HG1 VAL 46 -7.380 8.565 4.306 363 HG12 VAL 46 2HG1 VAL 46 -6.313 8.594 2.904 364 HG13 VAL 46 3HG1 VAL 46 -6.136 7.333 4.125 365 HG21 VAL 46 3HG2 VAL 46 -7.811 5.653 1.172 366 HG22 VAL 46 1HG2 VAL 46 -6.412 5.540 2.245 367 HG23 VAL 46 2HG2 VAL 46 -6.548 6.885 1.106 368 H SER 47 HN SER 47 -8.851 4.173 2.152 369 HA SER 47 HA SER 47 -11.757 4.610 1.565 370 HB2 SER 47 2HB SER 47 -10.281 5.360 -0.291 371 HB3 SER 47 1HB SER 47 -9.559 3.757 -0.386 372 HG SER 47 HG SER 47 -11.067 3.564 -1.859 373 H GLY 48 HN GLY 48 -9.558 2.473 2.852 374 HA2 GLY 48 2HA GLY 48 -9.735 0.394 3.739 375 HA3 GLY 48 1HA GLY 48 -11.452 0.445 3.369 376 H LYS 49 HN LYS 49 -8.771 0.614 1.040 377 HA LYS 49 HA LYS 49 -10.054 -1.621 -0.416 378 HB2 LYS 49 2HB LYS 49 -8.358 0.703 -1.411 379 HB3 LYS 49 1HB LYS 49 -8.955 -0.601 -2.426 380 HG2 LYS 49 2HG LYS 49 -10.652 1.403 -0.925 381 HG3 LYS 49 1HG LYS 49 -10.341 1.378 -2.662 382 HD2 LYS 49 2HD LYS 49 -11.447 -0.888 -2.757 383 HD3 LYS 49 1HD LYS 49 -11.887 -0.688 -1.054 384 HE2 LYS 49 2HE LYS 49 -12.761 1.067 -3.371 385 HE3 LYS 49 1HE LYS 49 -13.767 -0.075 -2.479 386 HZ1 LYS 49 3HZ LYS 49 -13.500 1.281 -0.501 387 HZ2 LYS 49 1HZ LYS 49 -14.126 2.215 -1.767 388 HZ3 LYS 49 2HZ LYS 49 -12.503 2.358 -1.332 389 HA PRO 50 HA PRO 50 -6.507 -4.175 0.342 390 HB2 PRO 50 2HB PRO 50 -6.774 -6.078 -1.575 391 HB3 PRO 50 1HB PRO 50 -7.941 -5.919 -0.256 392 HG2 PRO 50 2HG PRO 50 -8.129 -4.870 -3.080 393 HG3 PRO 50 1HG PRO 50 -9.348 -5.751 -2.137 394 HD2 PRO 50 2HD PRO 50 -9.393 -3.035 -2.387 395 HD3 PRO 50 1HD PRO 50 -9.967 -3.859 -0.918 396 H LEU 51 HN LEU 51 -4.434 -3.666 -0.001 397 HA LEU 51 HA LEU 51 -3.515 -2.798 -2.674 398 HB2 LEU 51 2HB LEU 51 -2.204 -2.330 0.038 399 HB3 LEU 51 1HB LEU 51 -1.712 -1.628 -1.505 400 HG LEU 51 HG LEU 51 -4.194 -1.001 0.134 401 HD11 LEU 51 1HD1 LEU 51 -1.968 0.784 -0.873 402 HD12 LEU 51 2HD1 LEU 51 -2.206 0.221 0.782 403 HD13 LEU 51 3HD1 LEU 51 -3.384 1.303 0.047 404 HD21 LEU 51 3HD2 LEU 51 -4.968 -1.243 -2.156 405 HD22 LEU 51 1HD2 LEU 51 -3.692 -0.170 -2.743 406 HD23 LEU 51 2HD2 LEU 51 -4.972 0.460 -1.700 407 H PHE 52 HN PHE 52 -2.523 -4.739 0.143 408 HA PHE 52 HA PHE 52 -1.813 -6.953 -1.462 409 HB2 PHE 52 2HB PHE 52 0.242 -5.485 -1.876 410 HB3 PHE 52 1HB PHE 52 0.637 -5.655 -0.164 411 HD1 PHE 52 HD1 PHE 52 -0.354 -7.894 -3.032 412 HD2 PHE 52 HD2 PHE 52 2.234 -7.311 0.323 413 HE1 PHE 52 HE1 PHE 52 0.732 -10.050 -3.487 414 HE2 PHE 52 HE2 PHE 52 3.321 -9.461 -0.152 415 HZ PHE 52 HZ PHE 52 2.568 -10.833 -2.050 416 H THR 53 HN THR 53 -0.998 -8.765 -0.188 417 HA THR 53 HA THR 53 -2.383 -8.912 2.343 418 HB THR 53 HB THR 53 -2.789 -10.805 1.012 419 HG1 THR 53 HG1 THR 53 -2.409 -11.745 2.913 420 HG21 THR 53 3HG2 THR 53 -1.029 -10.529 -0.679 421 HG22 THR 53 1HG2 THR 53 -1.075 -12.196 -0.097 422 HG23 THR 53 2HG2 THR 53 0.185 -11.096 0.466 423 H SER 54 HN SER 54 -1.523 -9.178 4.330 424 HA SER 54 HA SER 54 1.281 -8.856 4.874 425 HB2 SER 54 2HB SER 54 -0.510 -7.931 6.353 426 HB3 SER 54 1HB SER 54 -0.978 -9.573 6.788 427 HG SER 54 HG SER 54 1.391 -9.726 7.434 428 H LYS 55 HN LYS 55 -0.855 -11.591 4.490 429 HA LYS 55 HA LYS 55 0.779 -13.493 5.919 430 HB2 LYS 55 2HB LYS 55 -1.789 -13.586 5.434 431 HB3 LYS 55 1HB LYS 55 -1.333 -14.249 3.870 432 HG2 LYS 55 2HG LYS 55 -0.181 -16.135 5.018 433 HG3 LYS 55 1HG LYS 55 -0.656 -15.454 6.578 434 HD2 LYS 55 2HD LYS 55 -3.093 -15.650 5.729 435 HD3 LYS 55 1HD LYS 55 -2.436 -16.650 4.429 436 HE2 LYS 55 2HE LYS 55 -2.239 -17.226 7.406 437 HE3 LYS 55 1HE LYS 55 -3.302 -18.036 6.256 438 HZ1 LYS 55 3HZ LYS 55 -0.335 -18.118 6.255 439 HZ2 LYS 55 1HZ LYS 55 -1.327 -18.840 5.096 440 HZ3 LYS 55 2HZ LYS 55 -1.378 -19.372 6.695 441 H ASP 56 HN ASP 56 1.060 -12.056 2.842 442 HA ASP 56 HA ASP 56 3.222 -13.959 2.131 443 HB2 ASP 56 2HB ASP 56 1.228 -14.150 0.562 444 HB3 ASP 56 1HB ASP 56 1.465 -12.466 0.126 445 H LYS 57 HN LYS 57 3.425 -11.700 3.830 446 HA LYS 57 HA LYS 57 4.911 -9.714 2.200 447 HB2 LYS 57 2HB LYS 57 4.823 -8.194 3.987 448 HB3 LYS 57 1HB LYS 57 3.248 -8.971 4.054 449 HG2 LYS 57 2HG LYS 57 3.923 -10.316 5.957 450 HG3 LYS 57 1HG LYS 57 5.591 -9.757 5.830 451 HD2 LYS 57 2HD LYS 57 3.207 -7.973 6.454 452 HD3 LYS 57 1HD LYS 57 4.297 -8.646 7.662 453 HE2 LYS 57 2HE LYS 57 5.163 -6.779 5.421 454 HE3 LYS 57 1HE LYS 57 4.817 -6.270 7.073 455 HZ1 LYS 57 3HZ LYS 57 7.186 -6.576 6.692 456 HZ2 LYS 57 1HZ LYS 57 6.940 -8.195 6.290 457 HZ3 LYS 57 2HZ LYS 57 6.617 -7.658 7.856 458 H PHE 58 HN PHE 58 7.061 -9.156 2.808 459 HA PHE 58 HA PHE 58 8.417 -10.790 4.844 460 HB2 PHE 58 2HB PHE 58 10.501 -10.860 3.425 461 HB3 PHE 58 1HB PHE 58 9.182 -11.839 2.815 462 HD1 PHE 58 HD1 PHE 58 7.735 -10.797 0.895 463 HD2 PHE 58 HD2 PHE 58 11.629 -9.379 1.957 464 HE1 PHE 58 HE1 PHE 58 7.994 -9.827 -1.348 465 HE2 PHE 58 HE2 PHE 58 11.877 -8.402 -0.288 466 HZ PHE 58 HZ PHE 58 10.063 -8.627 -1.942 467 H ASP 59 HN ASP 59 10.481 -9.710 5.568 468 HA ASP 59 HA ASP 59 9.910 -6.902 6.094 469 HB2 ASP 59 2HB ASP 59 12.095 -8.732 7.176 470 HB3 ASP 59 1HB ASP 59 11.894 -7.047 7.658 471 H SER 60 HN SER 60 11.483 -5.253 5.873 472 HA SER 60 HA SER 60 13.125 -5.540 3.436 473 HB2 SER 60 2HB SER 60 11.120 -4.127 3.112 474 HB3 SER 60 1HB SER 60 11.605 -3.101 4.464 475 HG SER 60 HG SER 60 12.547 -3.209 1.871 476 H GLN 61 HN GLN 61 15.237 -5.184 3.693 477 HA GLN 61 HA GLN 61 16.462 -4.134 6.051 478 HB2 GLN 61 2HB GLN 61 18.562 -4.204 4.700 479 HB3 GLN 61 1HB GLN 61 17.661 -5.716 4.659 480 HG2 GLN 61 2HG GLN 61 16.728 -5.000 2.418 481 HG3 GLN 61 1HG GLN 61 17.841 -3.634 2.462 482 HE21 GLN 61 1HE2 GLN 61 17.578 -7.107 2.259 483 HE22 GLN 61 2HE2 GLN 61 19.158 -7.392 1.617 484 H CYS 62 HN CYS 62 15.089 -2.717 3.213 485 HA CYS 62 HA CYS 62 16.292 -0.102 3.470 486 HB2 CYS 62 2HB CYS 62 13.744 -0.973 2.035 487 HB3 CYS 62 1HB CYS 62 14.590 0.559 1.800 488 HG CYS 62 HG CYS 62 16.055 -2.458 1.156 489 H GLY 63 HN GLY 63 13.726 -1.825 5.040 490 HA2 GLY 63 2HA GLY 63 12.823 -1.162 7.132 491 HA3 GLY 63 1HA GLY 63 13.084 0.524 6.717 492 H TRP 64 HN TRP 64 11.889 0.877 4.373 493 HA TRP 64 HA TRP 64 9.086 0.826 4.904 494 HB2 TRP 64 2HB TRP 64 10.688 1.609 2.427 495 HB3 TRP 64 1HB TRP 64 8.935 1.792 2.545 496 HD1 TRP 64 HD1 TRP 64 8.032 3.454 4.526 497 HE1 TRP 64 HE1 TRP 64 9.096 5.543 5.514 498 HE3 TRP 64 HE3 TRP 64 12.851 2.799 2.935 499 HZ2 TRP 64 HZ2 TRP 64 11.583 6.812 5.621 500 HZ3 TRP 64 HZ3 TRP 64 14.518 4.518 3.524 501 HH2 TRP 64 HH2 TRP 64 13.895 6.485 4.841 502 HA PRO 65 HA PRO 65 8.258 -3.377 3.757 503 HB2 PRO 65 2HB PRO 65 5.550 -2.333 2.921 504 HB3 PRO 65 1HB PRO 65 5.952 -3.670 4.011 505 HG2 PRO 65 2HG PRO 65 5.118 -1.354 5.014 506 HG3 PRO 65 1HG PRO 65 6.449 -2.234 5.800 507 HD2 PRO 65 2HD PRO 65 6.578 0.181 3.992 508 HD3 PRO 65 1HD PRO 65 7.503 -0.167 5.474 509 H SER 66 HN SER 66 9.199 -4.153 2.025 510 HA SER 66 HA SER 66 8.683 -3.098 -0.679 511 HB2 SER 66 2HB SER 66 11.036 -4.718 0.407 512 HB3 SER 66 1HB SER 66 10.909 -4.035 -1.216 513 HG SER 66 HG SER 66 10.576 -2.245 0.882 514 H PHE 67 HN PHE 67 6.972 -4.312 -1.352 515 HA PHE 67 HA PHE 67 6.942 -7.227 -1.059 516 HB2 PHE 67 2HB PHE 67 4.796 -5.431 -2.279 517 HB3 PHE 67 1HB PHE 67 4.624 -7.108 -1.774 518 HD1 PHE 67 HD2 PHE 67 5.420 -7.438 0.866 519 HD2 PHE 67 HD1 PHE 67 3.760 -3.890 -0.852 520 HE1 PHE 67 HE2 PHE 67 4.639 -6.711 3.084 521 HE2 PHE 67 HE1 PHE 67 2.992 -3.176 1.365 522 HZ PHE 67 HZ PHE 67 3.429 -4.585 3.332 523 H THR 68 HN THR 68 6.329 -8.498 -3.001 524 HA THR 68 HA THR 68 7.969 -7.692 -5.318 525 HB THR 68 HB THR 68 6.846 -10.448 -4.654 526 HG1 THR 68 HG1 THR 68 8.955 -9.045 -3.587 527 HG21 THR 68 3HG2 THR 68 7.551 -10.177 -7.017 528 HG22 THR 68 1HG2 THR 68 8.623 -11.274 -6.146 529 HG23 THR 68 2HG2 THR 68 9.137 -9.619 -6.479 530 H LYS 69 HN LYS 69 4.686 -8.343 -4.361 531 HA LYS 69 HA LYS 69 3.696 -8.074 -7.134 532 HB2 LYS 69 2HB LYS 69 2.621 -10.018 -5.034 533 HB3 LYS 69 1HB LYS 69 1.870 -9.709 -6.598 534 HG2 LYS 69 2HG LYS 69 3.932 -10.602 -7.706 535 HG3 LYS 69 1HG LYS 69 4.573 -11.011 -6.109 536 HD2 LYS 69 2HD LYS 69 2.019 -12.116 -7.351 537 HD3 LYS 69 1HD LYS 69 3.556 -12.974 -7.220 538 HE2 LYS 69 2HE LYS 69 1.860 -12.024 -4.883 539 HE3 LYS 69 1HE LYS 69 1.947 -13.680 -5.475 540 HZ1 LYS 69 3HZ LYS 69 3.350 -13.360 -3.550 541 HZ2 LYS 69 1HZ LYS 69 4.206 -12.128 -4.331 542 HZ3 LYS 69 2HZ LYS 69 4.303 -13.713 -4.904 543 HA PRO 70 HA PRO 70 0.672 -5.467 -4.853 544 HB2 PRO 70 2HB PRO 70 -0.469 -4.218 -6.917 545 HB3 PRO 70 1HB PRO 70 1.242 -3.937 -6.561 546 HG2 PRO 70 2HG PRO 70 0.013 -5.634 -8.720 547 HG3 PRO 70 1HG PRO 70 1.467 -4.617 -8.786 548 HD2 PRO 70 2HD PRO 70 1.386 -7.435 -8.303 549 HD3 PRO 70 1HD PRO 70 2.802 -6.371 -8.124 550 H ILE 71 HN ILE 71 -1.732 -5.174 -4.885 551 HA ILE 71 HA ILE 71 -3.271 -7.362 -6.136 552 HB ILE 71 HB ILE 71 -4.086 -5.300 -4.038 553 HG12 ILE 71 2HG1 ILE 71 -3.916 -8.346 -3.954 554 HG13 ILE 71 1HG1 ILE 71 -2.795 -7.234 -3.173 555 HG21 ILE 71 1HG2 ILE 71 -5.894 -7.329 -5.408 556 HG22 ILE 71 2HG2 ILE 71 -5.975 -5.574 -5.581 557 HG23 ILE 71 3HG2 ILE 71 -6.342 -6.323 -4.028 558 HD11 ILE 71 3HD1 ILE 71 -5.696 -7.692 -2.488 559 HD12 ILE 71 1HD1 ILE 71 -4.675 -6.447 -1.741 560 HD13 ILE 71 2HD1 ILE 71 -4.279 -8.159 -1.546 561 H GLU 72 HN GLU 72 -4.169 -6.964 -8.023 562 HA GLU 72 HA GLU 72 -3.289 -4.668 -9.467 563 HB2 GLU 72 2HB GLU 72 -5.147 -6.913 -10.355 564 HB3 GLU 72 1HB GLU 72 -4.285 -5.804 -11.424 565 HG2 GLU 72 2HG GLU 72 -2.145 -6.727 -10.717 566 HG3 GLU 72 1HG GLU 72 -2.942 -7.767 -9.534 567 H GLU 73 HN GLU 73 -6.139 -5.260 -7.715 568 HA GLU 73 HA GLU 73 -8.162 -4.191 -9.362 569 HB2 GLU 73 2HB GLU 73 -8.140 -4.360 -6.312 570 HB3 GLU 73 1HB GLU 73 -9.561 -4.252 -7.347 571 HG2 GLU 73 2HG GLU 73 -7.648 -6.591 -7.095 572 HG3 GLU 73 1HG GLU 73 -9.319 -6.522 -6.541 573 H GLU 74 HN GLU 74 -6.252 -2.760 -6.715 574 HA GLU 74 HA GLU 74 -7.585 -0.142 -7.127 575 HB2 GLU 74 2HB GLU 74 -6.099 -1.213 -4.691 576 HB3 GLU 74 1HB GLU 74 -7.002 0.303 -4.785 577 HG2 GLU 74 2HG GLU 74 -8.145 -2.501 -4.990 578 HG3 GLU 74 1HG GLU 74 -8.306 -1.395 -3.626 579 H VAL 75 HN VAL 75 -4.762 -1.560 -8.037 580 HA VAL 75 HA VAL 75 -3.030 0.738 -7.362 581 HB VAL 75 HB VAL 75 -2.302 -2.151 -8.011 582 HG11 VAL 75 1HG1 VAL 75 -0.555 -0.706 -8.916 583 HG12 VAL 75 2HG1 VAL 75 0.047 -1.480 -7.450 584 HG13 VAL 75 3HG1 VAL 75 -0.474 0.209 -7.409 585 HG21 VAL 75 3HG2 VAL 75 -2.087 -0.553 -5.425 586 HG22 VAL 75 1HG2 VAL 75 -1.502 -2.205 -5.653 587 HG23 VAL 75 2HG2 VAL 75 -3.230 -1.860 -5.748 588 H GLU 76 HN GLU 76 -2.265 1.980 -8.911 589 HA GLU 76 HA GLU 76 -2.360 1.171 -11.768 590 HB2 GLU 76 2HB GLU 76 -2.676 3.976 -10.575 591 HB3 GLU 76 1HB GLU 76 -2.704 3.583 -12.290 592 HG2 GLU 76 2HG GLU 76 -4.749 2.498 -10.338 593 HG3 GLU 76 1HG GLU 76 -4.937 4.060 -11.124 594 H GLU 77 HN GLU 77 -0.234 0.959 -12.488 595 HA GLU 77 HA GLU 77 1.951 2.209 -11.016 596 HB2 GLU 77 2HB GLU 77 3.437 0.967 -12.615 597 HB3 GLU 77 1HB GLU 77 2.345 -0.067 -11.702 598 HG2 GLU 77 2HG GLU 77 0.876 -0.269 -13.679 599 HG3 GLU 77 1HG GLU 77 1.961 0.779 -14.592 600 H LYS 78 HN LYS 78 2.784 4.163 -11.517 601 HA LYS 78 HA LYS 78 2.106 5.352 -14.147 602 HB2 LYS 78 2HB LYS 78 0.825 6.148 -11.947 603 HB3 LYS 78 1HB LYS 78 2.307 7.033 -11.618 604 HG2 LYS 78 2HG LYS 78 0.674 8.478 -12.719 605 HG3 LYS 78 1HG LYS 78 2.072 8.229 -13.768 606 HD2 LYS 78 2HD LYS 78 -0.079 8.092 -15.030 607 HD3 LYS 78 1HD LYS 78 0.834 6.584 -15.106 608 HE2 LYS 78 2HE LYS 78 -0.639 5.654 -13.303 609 HE3 LYS 78 1HE LYS 78 -1.574 7.150 -13.337 610 HZ1 LYS 78 3HZ LYS 78 -2.572 5.379 -14.630 611 HZ2 LYS 78 1HZ LYS 78 -1.215 5.312 -15.631 612 HZ3 LYS 78 2HZ LYS 78 -2.178 6.705 -15.596 613 H LEU 79 HN LEU 79 4.035 5.211 -15.169 614 HA LEU 79 HA LEU 79 6.596 5.497 -13.931 615 HB2 LEU 79 2HB LEU 79 6.193 4.052 -15.904 616 HB3 LEU 79 1HB LEU 79 5.767 5.459 -16.862 617 HG LEU 79 HG LEU 79 8.117 6.305 -16.619 618 HD11 LEU 79 1HD1 LEU 79 8.716 5.224 -14.514 619 HD12 LEU 79 2HD1 LEU 79 9.883 4.842 -15.779 620 HD13 LEU 79 3HD1 LEU 79 8.677 3.642 -15.298 621 HD21 LEU 79 3HD2 LEU 79 7.914 3.525 -17.810 622 HD22 LEU 79 1HD2 LEU 79 9.148 4.733 -18.185 623 HD23 LEU 79 2HD2 LEU 79 7.463 5.035 -18.612 624 H ASP 80 HN ASP 80 8.067 7.197 -14.182 625 HA ASP 80 HA ASP 80 7.344 9.672 -15.532 626 HB2 ASP 80 2HB ASP 80 6.406 10.079 -13.289 627 HB3 ASP 80 1HB ASP 80 7.902 9.550 -12.528 628 H THR 81 HN THR 81 9.080 9.867 -16.793 629 HA THR 81 HA THR 81 11.796 9.317 -15.801 630 HB THR 81 HB THR 81 12.484 9.505 -18.189 631 HG1 THR 81 HG1 THR 81 11.077 10.090 -19.742 632 HG21 THR 81 3HG2 THR 81 10.082 7.668 -17.844 633 HG22 THR 81 1HG2 THR 81 11.735 7.288 -17.349 634 HG23 THR 81 2HG2 THR 81 11.352 7.501 -19.057 635 H SER 82 HN SER 82 9.620 11.888 -16.084 636 HA SER 82 HA SER 82 11.330 14.051 -16.831 637 HB2 SER 82 2HB SER 82 8.760 14.140 -15.176 638 HB3 SER 82 1HB SER 82 9.492 15.485 -16.059 639 HG SER 82 HG SER 82 9.226 14.048 -17.969 640 H HIS 83 HN HIS 83 11.173 12.157 -14.013 641 HA HIS 83 HA HIS 83 12.013 13.871 -11.950 642 HB2 HIS 83 2HB HIS 83 11.229 11.455 -11.754 643 HB3 HIS 83 1HB HIS 83 12.800 10.945 -12.360 644 HD1 HIS 83 HD1 HIS 83 14.879 11.406 -10.750 645 HD2 HIS 83 HD2 HIS 83 11.137 12.097 -9.064 646 HE1 HIS 83 HE1 HIS 83 15.257 11.454 -8.267 647 HE2 HIS 83 HE2 HIS 83 13.015 12.044 -7.289 648 H GLY 84 HN GLY 84 13.714 12.599 -14.707 649 HA2 GLY 84 2HA GLY 84 15.888 13.450 -15.391 650 HA3 GLY 84 1HA GLY 84 16.369 13.506 -13.698 651 H MET 85 HN MET 85 14.794 10.896 -13.457 652 HA MET 85 HA MET 85 16.661 8.939 -14.631 653 HB2 MET 85 2HB MET 85 15.867 9.160 -11.679 654 HB3 MET 85 1HB MET 85 16.649 7.744 -12.377 655 HG2 MET 85 2HG MET 85 18.670 8.952 -12.782 656 HG3 MET 85 1HG MET 85 17.885 10.496 -12.454 657 HE1 MET 85 3HE MET 85 17.356 7.219 -10.282 658 HE2 MET 85 1HE MET 85 18.673 7.377 -9.116 659 HE3 MET 85 2HE MET 85 19.033 7.070 -10.810 660 H ILE 86 HN ILE 86 15.727 6.724 -14.526 661 HA ILE 86 HA ILE 86 12.923 6.525 -15.055 662 HB ILE 86 HB ILE 86 14.901 4.306 -14.335 663 HG12 ILE 86 2HG1 ILE 86 15.597 5.544 -16.374 664 HG13 ILE 86 1HG1 ILE 86 15.120 3.896 -16.758 665 HG21 ILE 86 1HG2 ILE 86 13.302 2.747 -15.421 666 HG22 ILE 86 2HG2 ILE 86 12.156 4.076 -15.621 667 HG23 ILE 86 3HG2 ILE 86 12.603 3.533 -14.001 668 HD11 ILE 86 3HD1 ILE 86 13.441 6.364 -17.203 669 HD12 ILE 86 1HD1 ILE 86 12.982 4.707 -17.609 670 HD13 ILE 86 2HD1 ILE 86 14.346 5.470 -18.424 671 H ARG 87 HN ARG 87 11.287 6.330 -13.612 672 HA ARG 87 HA ARG 87 11.559 5.393 -10.920 673 HB2 ARG 87 2HB ARG 87 12.417 7.453 -10.220 674 HB3 ARG 87 1HB ARG 87 11.648 8.352 -11.512 675 HG2 ARG 87 2HG ARG 87 9.817 7.254 -9.400 676 HG3 ARG 87 1HG ARG 87 10.911 8.545 -8.896 677 HD2 ARG 87 2HD ARG 87 10.032 10.031 -10.615 678 HD3 ARG 87 1HD ARG 87 9.041 8.737 -11.287 679 HE ARG 87 HE ARG 87 7.971 8.799 -8.916 680 HH11 ARG 87 1HH1 ARG 87 9.029 11.650 -10.718 681 HH12 ARG 87 2HH1 ARG 87 7.812 12.668 -10.017 682 HH21 ARG 87 1HH2 ARG 87 6.385 10.168 -8.056 683 HH22 ARG 87 2HH2 ARG 87 6.337 11.836 -8.525 684 H THR 88 HN THR 88 9.622 4.548 -10.366 685 HA THR 88 HA THR 88 7.202 5.412 -11.829 686 HB THR 88 HB THR 88 7.697 2.578 -10.808 687 HG1 THR 88 HG1 THR 88 7.802 2.703 -13.475 688 HG21 THR 88 3HG2 THR 88 5.319 3.184 -11.211 689 HG22 THR 88 1HG2 THR 88 5.885 1.978 -12.370 690 HG23 THR 88 2HG2 THR 88 5.733 3.666 -12.860 691 H GLU 89 HN GLU 89 5.364 5.676 -10.592 692 HA GLU 89 HA GLU 89 5.466 5.118 -7.683 693 HB2 GLU 89 2HB GLU 89 5.894 7.546 -8.235 694 HB3 GLU 89 1HB GLU 89 4.310 7.624 -8.996 695 HG2 GLU 89 2HG GLU 89 3.208 7.252 -6.870 696 HG3 GLU 89 1HG GLU 89 4.751 6.921 -6.079 697 H VAL 90 HN VAL 90 3.703 3.960 -7.015 698 HA VAL 90 HA VAL 90 1.591 3.428 -8.975 699 HB VAL 90 HB VAL 90 0.717 1.746 -7.246 700 HG11 VAL 90 1HG1 VAL 90 3.518 1.317 -8.345 701 HG12 VAL 90 2HG1 VAL 90 2.001 1.035 -9.206 702 HG13 VAL 90 3HG1 VAL 90 2.420 0.038 -7.811 703 HG21 VAL 90 3HG2 VAL 90 2.283 0.961 -5.488 704 HG22 VAL 90 1HG2 VAL 90 1.822 2.646 -5.221 705 HG23 VAL 90 2HG2 VAL 90 3.405 2.263 -5.899 706 H ARG 91 HN ARG 91 -0.090 4.642 -9.014 707 HA ARG 91 HA ARG 91 -1.517 5.623 -6.761 708 HB2 ARG 91 2HB ARG 91 -1.154 8.057 -7.344 709 HB3 ARG 91 1HB ARG 91 0.248 7.267 -6.633 710 HG2 ARG 91 2HG ARG 91 1.303 7.083 -8.838 711 HG3 ARG 91 1HG ARG 91 -0.126 7.778 -9.606 712 HD2 ARG 91 2HD ARG 91 0.235 9.892 -8.398 713 HD3 ARG 91 1HD ARG 91 1.641 9.194 -7.593 714 HE ARG 91 HE ARG 91 2.783 9.115 -9.703 715 HH11 ARG 91 1HH1 ARG 91 -0.199 10.985 -9.748 716 HH12 ARG 91 2HH1 ARG 91 0.255 11.906 -11.145 717 HH21 ARG 91 1HH2 ARG 91 3.369 10.294 -11.526 718 HH22 ARG 91 2HH2 ARG 91 2.307 11.506 -12.167 719 H SER 92 HN SER 92 -3.603 5.796 -7.392 720 HA SER 92 HA SER 92 -4.316 6.044 -10.222 721 HB2 SER 92 2HB SER 92 -5.521 4.412 -8.745 722 HB3 SER 92 1HB SER 92 -6.121 5.762 -7.787 723 HG SER 92 HG SER 92 -6.894 4.851 -10.266 724 H ARG 93 HN ARG 93 -6.489 7.647 -10.308 725 HA ARG 93 HA ARG 93 -4.972 10.106 -10.499 726 HB2 ARG 93 2HB ARG 93 -7.780 9.442 -11.461 727 HB3 ARG 93 1HB ARG 93 -6.952 10.966 -11.783 728 HG2 ARG 93 2HG ARG 93 -5.129 9.609 -12.929 729 HG3 ARG 93 1HG ARG 93 -6.186 8.202 -12.778 730 HD2 ARG 93 2HD ARG 93 -6.410 9.206 -15.004 731 HD3 ARG 93 1HD ARG 93 -7.922 9.382 -14.106 732 HE ARG 93 HE ARG 93 -6.356 11.683 -13.693 733 HH11 ARG 93 1HH1 ARG 93 -8.135 10.195 -16.332 734 HH12 ARG 93 2HH1 ARG 93 -8.487 11.704 -17.104 735 HH21 ARG 93 1HH2 ARG 93 -6.820 13.657 -14.712 736 HH22 ARG 93 2HH2 ARG 93 -7.735 13.672 -16.188 737 H THR 94 HN THR 94 -8.104 9.269 -8.912 738 HA THR 94 HA THR 94 -8.456 12.017 -8.031 739 HB THR 94 HB THR 94 -10.158 9.551 -7.461 740 HG1 THR 94 HG1 THR 94 -11.530 10.663 -9.092 741 HG21 THR 94 3HG2 THR 94 -10.593 11.330 -5.795 742 HG22 THR 94 1HG2 THR 94 -11.964 11.137 -6.887 743 HG23 THR 94 2HG2 THR 94 -10.856 12.493 -7.100 744 H ALA 95 HN ALA 95 -8.402 8.907 -6.226 745 HA ALA 95 HA ALA 95 -7.806 10.402 -3.731 746 HB1 ALA 95 3HB ALA 95 -9.968 9.210 -3.790 747 HB2 ALA 95 1HB ALA 95 -8.891 8.524 -2.569 748 HB3 ALA 95 2HB ALA 95 -9.132 7.689 -4.106 749 H ASP 96 HN ASP 96 -6.916 7.550 -5.621 750 HA ASP 96 HA ASP 96 -5.374 6.381 -3.502 751 HB2 ASP 96 2HB ASP 96 -5.762 5.407 -6.327 752 HB3 ASP 96 1HB ASP 96 -5.028 4.484 -5.024 753 H SER 97 HN SER 97 -4.432 8.918 -5.025 754 HA SER 97 HA SER 97 -1.767 8.411 -5.821 755 HB2 SER 97 2HB SER 97 -1.424 10.847 -5.202 756 HB3 SER 97 1HB SER 97 -2.787 10.556 -6.278 757 HG SER 97 HG SER 97 -3.333 11.965 -4.581 758 H HIS 98 HN HIS 98 -3.275 8.037 -2.828 759 HA HIS 98 HA HIS 98 -1.180 8.634 -0.994 760 HB2 HIS 98 2HB HIS 98 -2.647 7.423 0.652 761 HB3 HIS 98 1HB HIS 98 -3.486 8.681 -0.250 762 HD1 HIS 98 HD1 HIS 98 -2.959 4.898 -0.753 763 HD2 HIS 98 HD2 HIS 98 -5.923 7.799 -1.026 764 HE1 HIS 98 HE1 HIS 98 -5.014 3.691 -1.535 765 HE2 HIS 98 HE2 HIS 98 -6.796 5.448 -1.704 766 H LEU 99 HN LEU 99 -1.609 5.889 -3.084 767 HA LEU 99 HA LEU 99 -1.029 3.693 -1.497 768 HB2 LEU 99 2HB LEU 99 -0.118 4.054 -4.370 769 HB3 LEU 99 1HB LEU 99 -0.245 2.519 -3.539 770 HG LEU 99 HG LEU 99 -2.586 4.320 -4.241 771 HD11 LEU 99 1HD1 LEU 99 -1.711 1.730 -5.544 772 HD12 LEU 99 2HD1 LEU 99 -1.615 3.342 -6.261 773 HD13 LEU 99 3HD1 LEU 99 -3.188 2.628 -5.909 774 HD21 LEU 99 3HD2 LEU 99 -4.004 2.455 -3.593 775 HD22 LEU 99 1HD2 LEU 99 -3.028 3.014 -2.236 776 HD23 LEU 99 2HD2 LEU 99 -2.583 1.535 -3.090 777 H GLY 100 HN GLY 100 1.526 4.830 -3.752 778 HA2 GLY 100 2HA GLY 100 3.604 5.371 -2.020 779 HA3 GLY 100 1HA GLY 100 3.582 3.616 -2.141 780 H HIS 101 HN HIS 101 5.675 3.775 -3.024 781 HA HIS 101 HA HIS 101 5.953 4.875 -5.769 782 HB2 HIS 101 2HB HIS 101 8.158 4.940 -3.650 783 HB3 HIS 101 1HB HIS 101 8.111 5.807 -5.182 784 HD1 HIS 101 HD1 HIS 101 6.798 8.028 -5.242 785 HD2 HIS 101 HD2 HIS 101 6.645 6.108 -1.557 786 HE1 HIS 101 HE1 HIS 101 5.801 9.692 -3.658 787 HE2 HIS 101 HE2 HIS 101 5.902 8.583 -1.402 788 H VAL 102 HN VAL 102 7.241 3.567 -7.178 789 HA VAL 102 HA VAL 102 8.220 1.010 -6.086 790 HB VAL 102 HB VAL 102 7.182 -0.335 -7.846 791 HG11 VAL 102 1HG1 VAL 102 5.126 1.327 -6.359 792 HG12 VAL 102 2HG1 VAL 102 5.965 -0.090 -5.725 793 HG13 VAL 102 3HG1 VAL 102 4.837 -0.263 -7.072 794 HG21 VAL 102 3HG2 VAL 102 6.996 1.300 -9.630 795 HG22 VAL 102 1HG2 VAL 102 5.777 2.208 -8.731 796 HG23 VAL 102 2HG2 VAL 102 5.415 0.583 -9.323 797 H PHE 103 HN PHE 103 9.984 0.155 -7.129 798 HA PHE 103 HA PHE 103 11.224 1.948 -9.134 799 HB2 PHE 103 2HB PHE 103 12.550 0.672 -6.706 800 HB3 PHE 103 1HB PHE 103 13.385 1.620 -7.935 801 HD1 PHE 103 HD1 PHE 103 12.518 4.050 -8.348 802 HD2 PHE 103 HD2 PHE 103 11.681 1.795 -4.808 803 HE1 PHE 103 HE1 PHE 103 11.992 6.125 -7.139 804 HE2 PHE 103 HE2 PHE 103 11.164 3.876 -3.611 805 HZ PHE 103 HZ PHE 103 11.316 6.037 -4.773 806 H ASN 104 HN ASN 104 12.677 1.138 -10.534 807 HA ASN 104 HA ASN 104 12.352 -1.622 -11.380 808 HB2 ASN 104 2HB ASN 104 13.975 0.687 -12.558 809 HB3 ASN 104 1HB ASN 104 13.664 -0.856 -13.355 810 HD21 ASN 104 1HD2 ASN 104 12.172 2.127 -12.195 811 HD22 ASN 104 2HD2 ASN 104 10.753 2.019 -13.175 812 H ASP 105 HN ASP 105 14.195 -0.256 -9.076 813 HA ASP 105 HA ASP 105 16.689 -1.723 -9.389 814 HB2 ASP 105 2HB ASP 105 16.763 0.467 -8.304 815 HB3 ASP 105 1HB ASP 105 15.499 0.013 -7.173 816 H GLY 106 HN GLY 106 13.536 -2.255 -8.139 817 HA2 GLY 106 2HA GLY 106 14.351 -4.300 -6.181 818 HA3 GLY 106 1HA GLY 106 12.745 -3.642 -6.392 819 HA PRO 107 HA PRO 107 13.542 -7.584 -9.189 820 HB2 PRO 107 2HB PRO 107 13.513 -9.451 -6.865 821 HB3 PRO 107 1HB PRO 107 14.629 -9.382 -8.237 822 HG2 PRO 107 2HG PRO 107 15.396 -8.651 -5.751 823 HG3 PRO 107 1HG PRO 107 16.025 -7.829 -7.195 824 HD2 PRO 107 2HD PRO 107 13.818 -6.940 -5.320 825 HD3 PRO 107 1HD PRO 107 15.169 -5.997 -5.996 826 H GLY 108 HN GLY 108 11.623 -8.147 -10.038 827 HA2 GLY 108 2HA GLY 108 9.460 -9.284 -8.500 828 HA3 GLY 108 1HA GLY 108 9.115 -7.657 -9.085 829 HA PRO 109 HA PRO 109 8.304 -11.076 -12.405 830 HB2 PRO 109 2HB PRO 109 5.540 -10.971 -12.432 831 HB3 PRO 109 1HB PRO 109 6.455 -12.090 -11.416 832 HG2 PRO 109 2HG PRO 109 5.235 -9.431 -10.685 833 HG3 PRO 109 1HG PRO 109 5.187 -10.962 -9.783 834 HD2 PRO 109 2HD PRO 109 6.918 -8.995 -9.119 835 HD3 PRO 109 1HD PRO 109 7.376 -10.707 -8.981 836 H ASN 110 HN ASN 110 6.666 -7.988 -11.724 837 HA ASN 110 HA ASN 110 6.350 -7.239 -14.510 838 HB2 ASN 110 2HB ASN 110 4.683 -6.562 -12.779 839 HB3 ASN 110 1HB ASN 110 5.932 -5.657 -11.929 840 HD21 ASN 110 1HD2 ASN 110 4.808 -3.717 -12.107 841 HD22 ASN 110 2HD2 ASN 110 4.610 -2.878 -13.605 842 H GLY 111 HN GLY 111 8.577 -6.720 -11.858 843 HA2 GLY 111 2HA GLY 111 10.894 -6.233 -12.214 844 HA3 GLY 111 1HA GLY 111 10.471 -5.268 -13.622 845 H LEU 112 HN LEU 112 8.403 -4.834 -10.937 846 HA LEU 112 HA LEU 112 9.715 -2.284 -10.209 847 HB2 LEU 112 2HB LEU 112 6.756 -2.999 -10.296 848 HB3 LEU 112 1HB LEU 112 7.382 -1.528 -9.562 849 HG LEU 112 HG LEU 112 7.639 -2.268 -12.510 850 HD11 LEU 112 1HD1 LEU 112 6.085 -0.424 -12.930 851 HD12 LEU 112 2HD1 LEU 112 5.922 -0.149 -11.193 852 HD13 LEU 112 3HD1 LEU 112 5.344 -1.657 -11.906 853 HD21 LEU 112 3HD2 LEU 112 9.580 -0.971 -11.760 854 HD22 LEU 112 1HD2 LEU 112 8.519 0.259 -11.061 855 HD23 LEU 112 2HD2 LEU 112 8.557 0.006 -12.810 856 H ARG 113 HN ARG 113 9.447 -1.595 -7.988 857 HA ARG 113 HA ARG 113 9.490 -3.869 -6.068 858 HB2 ARG 113 2HB ARG 113 11.572 -2.396 -6.489 859 HB3 ARG 113 1HB ARG 113 10.706 -1.083 -5.713 860 HG2 ARG 113 2HG ARG 113 11.168 -3.716 -4.289 861 HG3 ARG 113 1HG ARG 113 12.414 -2.473 -4.334 862 HD2 ARG 113 2HD ARG 113 9.618 -2.108 -3.208 863 HD3 ARG 113 1HD ARG 113 11.077 -2.409 -2.259 864 HE ARG 113 HE ARG 113 10.587 0.012 -3.889 865 HH11 ARG 113 1HH1 ARG 113 12.089 -1.512 -1.093 866 HH12 ARG 113 2HH1 ARG 113 12.700 -0.015 -0.460 867 HH21 ARG 113 1HH2 ARG 113 11.346 1.968 -3.006 868 HH22 ARG 113 2HH2 ARG 113 12.273 1.956 -1.546 869 H TYR 114 HN TYR 114 7.498 -3.972 -5.057 870 HA TYR 114 HA TYR 114 5.719 -1.699 -5.141 871 HB2 TYR 114 2HB TYR 114 5.015 -4.057 -5.636 872 HB3 TYR 114 1HB TYR 114 5.278 -4.463 -3.944 873 HD1 TYR 114 HD2 TYR 114 3.410 -1.873 -5.970 874 HD2 TYR 114 HD1 TYR 114 3.343 -4.514 -2.610 875 HE1 TYR 114 HE2 TYR 114 1.095 -1.199 -5.472 876 HE2 TYR 114 HE1 TYR 114 1.050 -3.840 -2.119 877 HH TYR 114 HH TYR 114 -0.936 -2.445 -4.119 878 H CYS 115 HN CYS 115 6.366 -0.118 -3.733 879 HA CYS 115 HA CYS 115 6.880 -0.831 -0.898 880 HB2 CYS 115 2HB CYS 115 8.949 -0.058 -1.973 881 HB3 CYS 115 1HB CYS 115 8.146 1.400 -2.538 882 HG CYS 115 HG CYS 115 7.784 1.214 0.711 883 H ILE 116 HN ILE 116 5.075 -0.356 0.095 884 HA ILE 116 HA ILE 116 3.546 2.064 -0.644 885 HB ILE 116 HB ILE 116 2.568 -0.443 0.811 886 HG12 ILE 116 2HG1 ILE 116 3.078 -0.931 -1.540 887 HG13 ILE 116 1HG1 ILE 116 1.333 -0.913 -1.311 888 HG21 ILE 116 1HG2 ILE 116 0.287 0.481 0.466 889 HG22 ILE 116 2HG2 ILE 116 0.985 1.954 -0.206 890 HG23 ILE 116 3HG2 ILE 116 1.267 1.535 1.484 891 HD11 ILE 116 3HD1 ILE 116 1.277 1.376 -2.262 892 HD12 ILE 116 1HD1 ILE 116 1.906 0.162 -3.375 893 HD13 ILE 116 2HD1 ILE 116 3.018 1.256 -2.561 894 H ASN 117 HN ASN 117 2.745 3.356 0.930 895 HA ASN 117 HA ASN 117 4.520 4.075 2.999 896 HB2 ASN 117 2HB ASN 117 1.662 4.981 2.393 897 HB3 ASN 117 1HB ASN 117 2.794 5.825 3.445 898 HD21 ASN 117 1HD2 ASN 117 1.444 6.479 0.778 899 HD22 ASN 117 2HD2 ASN 117 2.731 7.058 -0.207 900 H SER 118 HN SER 118 4.667 3.182 4.977 901 HA SER 118 HA SER 118 2.967 1.150 5.933 902 HB2 SER 118 2HB SER 118 5.359 1.346 6.563 903 HB3 SER 118 1HB SER 118 4.997 2.793 7.499 904 HG SER 118 HG SER 118 3.369 0.831 8.312 905 H ALA 119 HN ALA 119 2.904 4.616 6.413 906 HA ALA 119 HA ALA 119 1.057 4.688 8.613 907 HB1 ALA 119 3HB ALA 119 0.876 7.093 8.086 908 HB2 ALA 119 1HB ALA 119 1.737 6.830 6.565 909 HB3 ALA 119 2HB ALA 119 2.563 6.573 8.102 910 H ALA 120 HN ALA 120 0.739 4.225 5.161 911 HA ALA 120 HA ALA 120 -2.008 5.146 4.990 912 HB1 ALA 120 3HB ALA 120 -0.506 5.457 3.069 913 HB2 ALA 120 1HB ALA 120 -1.892 4.446 2.642 914 HB3 ALA 120 2HB ALA 120 -0.311 3.709 2.927 915 H LEU 121 HN LEU 121 -0.312 2.239 5.699 916 HA LEU 121 HA LEU 121 -2.326 0.430 4.707 917 HB2 LEU 121 2HB LEU 121 0.280 -0.039 6.200 918 HB3 LEU 121 1HB LEU 121 -0.751 -1.319 5.558 919 HG LEU 121 HG LEU 121 0.665 0.811 3.918 920 HD11 LEU 121 1HD1 LEU 121 1.973 -1.037 3.007 921 HD12 LEU 121 2HD1 LEU 121 1.183 -2.155 4.129 922 HD13 LEU 121 3HD1 LEU 121 2.208 -0.851 4.746 923 HD21 LEU 121 3HD2 LEU 121 -1.234 -1.393 3.064 924 HD22 LEU 121 1HD2 LEU 121 -0.193 -0.489 1.959 925 HD23 LEU 121 2HD2 LEU 121 -1.433 0.359 2.877 926 H ARG 122 HN ARG 122 -3.399 -1.063 5.856 927 HA ARG 122 HA ARG 122 -3.689 -0.781 8.765 928 HB2 ARG 122 2HB ARG 122 -5.591 0.393 7.518 929 HB3 ARG 122 1HB ARG 122 -6.048 -1.168 6.862 930 HG2 ARG 122 2HG ARG 122 -7.469 -0.636 8.765 931 HG3 ARG 122 1HG ARG 122 -6.433 -2.011 9.176 932 HD2 ARG 122 2HD ARG 122 -4.889 -0.453 10.361 933 HD3 ARG 122 1HD ARG 122 -5.980 0.887 9.981 934 HE ARG 122 HE ARG 122 -7.515 -0.996 11.307 935 HH11 ARG 122 1HH1 ARG 122 -4.667 0.923 12.039 936 HH12 ARG 122 2HH1 ARG 122 -5.037 1.044 13.730 937 HH21 ARG 122 1HH2 ARG 122 -7.989 -0.846 13.510 938 HH22 ARG 122 2HH2 ARG 122 -6.936 0.037 14.570 939 H PHE 123 HN PHE 123 -3.001 -2.642 9.492 940 HA PHE 123 HA PHE 123 -3.108 -5.158 8.174 941 HB2 PHE 123 2HB PHE 123 -2.543 -6.071 10.511 942 HB3 PHE 123 1HB PHE 123 -1.399 -4.913 9.850 943 HD1 PHE 123 HD1 PHE 123 -1.213 -2.628 10.796 944 HD2 PHE 123 HD2 PHE 123 -3.902 -5.489 12.493 945 HE1 PHE 123 HE1 PHE 123 -1.493 -1.204 12.777 946 HE2 PHE 123 HE2 PHE 123 -4.168 -4.051 14.469 947 HZ PHE 123 HZ PHE 123 -2.971 -1.912 14.608 948 H VAL 124 HN VAL 124 -4.943 -6.241 7.792 949 HA VAL 124 HA VAL 124 -7.079 -6.287 9.836 950 HB VAL 124 HB VAL 124 -7.687 -6.491 6.848 951 HG11 VAL 124 1HG1 VAL 124 -10.029 -6.097 7.582 952 HG12 VAL 124 2HG1 VAL 124 -9.493 -6.002 9.259 953 HG13 VAL 124 3HG1 VAL 124 -9.349 -7.523 8.374 954 HG21 VAL 124 3HG2 VAL 124 -6.806 -4.217 7.229 955 HG22 VAL 124 1HG2 VAL 124 -7.938 -3.986 8.567 956 HG23 VAL 124 2HG2 VAL 124 -8.541 -4.162 6.915 957 HA PRO 125 HA PRO 125 -5.502 -10.563 9.275 958 HB2 PRO 125 2HB PRO 125 -6.465 -11.553 11.648 959 HB3 PRO 125 1HB PRO 125 -4.967 -10.614 11.532 960 HG2 PRO 125 2HG PRO 125 -7.739 -9.666 12.280 961 HG3 PRO 125 1HG PRO 125 -6.191 -9.332 13.089 962 HD2 PRO 125 2HD PRO 125 -7.308 -7.541 11.407 963 HD3 PRO 125 1HD PRO 125 -5.543 -7.758 11.481 964 H LYS 126 HN LYS 126 -6.545 -12.676 9.014 965 HA LYS 126 HA LYS 126 -8.904 -12.611 7.526 966 HB2 LYS 126 2HB LYS 126 -7.867 -15.053 9.002 967 HB3 LYS 126 1HB LYS 126 -8.975 -15.056 7.629 968 HG2 LYS 126 2HG LYS 126 -7.106 -14.013 6.266 969 HG3 LYS 126 1HG LYS 126 -6.033 -14.313 7.642 970 HD2 LYS 126 2HD LYS 126 -7.505 -16.359 5.933 971 HD3 LYS 126 1HD LYS 126 -5.761 -16.148 6.097 972 HE2 LYS 126 2HE LYS 126 -7.667 -17.177 8.237 973 HE3 LYS 126 1HE LYS 126 -6.494 -18.129 7.334 974 HZ1 LYS 126 3HZ LYS 126 -4.730 -16.797 8.361 975 HZ2 LYS 126 1HZ LYS 126 -5.647 -17.626 9.510 976 HZ3 LYS 126 2HZ LYS 126 -5.883 -15.968 9.270 977 H HIS 127 HN HIS 127 -8.472 -12.969 10.930 978 HA HIS 127 HA HIS 127 -10.961 -13.956 11.786 979 HB2 HIS 127 2HB HIS 127 -9.279 -11.951 13.347 980 HB3 HIS 127 1HB HIS 127 -10.348 -13.189 13.994 981 HD1 HIS 127 HD1 HIS 127 -9.439 -15.710 13.807 982 HD2 HIS 127 HD2 HIS 127 -6.659 -12.725 12.985 983 HE1 HIS 127 HE1 HIS 127 -7.178 -16.812 14.007 984 HE2 HIS 127 HE2 HIS 127 -5.524 -15.004 13.421 985 H LYS 128 HN LYS 128 -9.859 -10.707 10.966 986 HA LYS 128 HA LYS 128 -12.453 -9.497 11.649 987 HB2 LYS 128 2HB LYS 128 -9.709 -8.343 11.002 988 HB3 LYS 128 1HB LYS 128 -11.154 -7.330 10.999 989 HG2 LYS 128 2HG LYS 128 -10.177 -8.958 13.369 990 HG3 LYS 128 1HG LYS 128 -9.911 -7.225 13.144 991 HD2 LYS 128 2HD LYS 128 -12.296 -6.774 13.288 992 HD3 LYS 128 1HD LYS 128 -12.682 -8.495 13.280 993 HE2 LYS 128 2HE LYS 128 -11.606 -8.759 15.472 994 HE3 LYS 128 1HE LYS 128 -11.172 -7.048 15.478 995 HZ1 LYS 128 3HZ LYS 128 -13.492 -6.474 15.479 996 HZ2 LYS 128 1HZ LYS 128 -13.161 -7.514 16.770 997 HZ3 LYS 128 2HZ LYS 128 -13.943 -8.096 15.389 998 H LEU 129 HN LEU 129 -10.670 -10.657 8.941 999 HA LEU 129 HA LEU 129 -11.763 -8.977 6.910 1000 HB2 LEU 129 2HB LEU 129 -10.452 -11.704 6.797 1001 HB3 LEU 129 1HB LEU 129 -11.009 -10.869 5.356 1002 HG LEU 129 HG LEU 129 -8.919 -9.749 7.261 1003 HD11 LEU 129 1HD1 LEU 129 -7.261 -10.302 5.534 1004 HD12 LEU 129 2HD1 LEU 129 -8.515 -11.144 4.616 1005 HD13 LEU 129 3HD1 LEU 129 -8.038 -11.740 6.202 1006 HD21 LEU 129 3HD2 LEU 129 -9.805 -8.809 4.521 1007 HD22 LEU 129 1HD2 LEU 129 -8.463 -8.143 5.460 1008 HD23 LEU 129 2HD2 LEU 129 -10.109 -8.007 6.067 1009 H LYS 130 HN LYS 130 -12.715 -12.140 8.276 1010 HA LYS 130 HA LYS 130 -14.788 -12.648 6.405 1011 HB2 LYS 130 2HB LYS 130 -15.521 -14.378 8.105 1012 HB3 LYS 130 1HB LYS 130 -13.880 -14.527 7.514 1013 HG2 LYS 130 2HG LYS 130 -13.607 -14.976 9.774 1014 HG3 LYS 130 1HG LYS 130 -13.209 -13.263 9.702 1015 HD2 LYS 130 2HD LYS 130 -14.596 -13.678 11.645 1016 HD3 LYS 130 1HD LYS 130 -15.520 -12.726 10.482 1017 HE2 LYS 130 2HE LYS 130 -16.743 -14.733 9.774 1018 HE3 LYS 130 1HE LYS 130 -15.764 -15.739 10.848 1019 HZ1 LYS 130 3HZ LYS 130 -16.667 -14.551 12.728 1020 HZ2 LYS 130 1HZ LYS 130 -17.910 -15.212 11.797 1021 HZ3 LYS 130 2HZ LYS 130 -17.579 -13.563 11.713 1022 H GLU 131 HN GLU 131 -14.588 -10.596 9.125 1023 HA GLU 131 HA GLU 131 -17.452 -10.055 9.270 1024 HB2 GLU 131 2HB GLU 131 -15.056 -8.702 10.593 1025 HB3 GLU 131 1HB GLU 131 -16.746 -8.330 10.935 1026 HG2 GLU 131 2HG GLU 131 -15.431 -11.028 11.412 1027 HG3 GLU 131 1HG GLU 131 -15.664 -9.791 12.644 1028 H GLU 132 HN GLU 132 -14.510 -8.675 7.870 1029 HA GLU 132 HA GLU 132 -15.874 -6.133 7.201 1030 HB2 GLU 132 2HB GLU 132 -13.783 -6.258 8.758 1031 HB3 GLU 132 1HB GLU 132 -12.861 -6.566 7.296 1032 HG2 GLU 132 2HG GLU 132 -12.727 -4.213 7.904 1033 HG3 GLU 132 1HG GLU 132 -13.598 -4.391 6.378 1034 H GLY 133 HN GLY 133 -15.687 -8.805 5.572 1035 HA2 GLY 133 2HA GLY 133 -16.260 -8.685 3.216 1036 HA3 GLY 133 1HA GLY 133 -15.103 -7.380 3.019 1037 H TYR 134 HN TYR 134 -14.976 -10.690 4.377 1038 HA TYR 134 HA TYR 134 -12.454 -11.462 3.818 1039 HB2 TYR 134 2HB TYR 134 -13.169 -13.792 3.829 1040 HB3 TYR 134 1HB TYR 134 -14.045 -12.872 5.033 1041 HD1 TYR 134 HD2 TYR 134 -16.482 -12.239 4.572 1042 HD2 TYR 134 HD1 TYR 134 -14.351 -15.002 2.108 1043 HE1 TYR 134 HE2 TYR 134 -18.614 -13.099 3.695 1044 HE2 TYR 134 HE1 TYR 134 -16.481 -15.872 1.235 1045 HH TYR 134 HH TYR 134 -19.503 -14.303 1.815 1046 H GLU 135 HN GLU 135 -14.906 -11.195 1.342 1047 HA GLU 135 HA GLU 135 -13.726 -12.706 -0.721 1048 HB2 GLU 135 2HB GLU 135 -15.497 -10.242 -0.917 1049 HB3 GLU 135 1HB GLU 135 -15.137 -11.331 -2.260 1050 HG2 GLU 135 2HG GLU 135 -16.235 -13.182 -1.051 1051 HG3 GLU 135 1HG GLU 135 -16.583 -12.102 0.300 1052 H SER 136 HN SER 136 -12.628 -9.845 0.694 1053 HA SER 136 HA SER 136 -11.255 -8.627 -1.537 1054 HB2 SER 136 2HB SER 136 -12.117 -7.357 0.467 1055 HB3 SER 136 1HB SER 136 -10.905 -8.155 1.470 1056 HG SER 136 HG SER 136 -10.395 -6.497 -0.780 1057 H TYR 137 HN TYR 137 -10.264 -10.518 1.333 1058 HA TYR 137 HA TYR 137 -7.659 -11.150 0.070 1059 HB2 TYR 137 2HB TYR 137 -7.625 -10.433 2.412 1060 HB3 TYR 137 1HB TYR 137 -8.693 -11.742 2.871 1061 HD1 TYR 137 HD2 TYR 137 -5.403 -11.236 1.130 1062 HD2 TYR 137 HD1 TYR 137 -7.674 -13.672 3.799 1063 HE1 TYR 137 HE2 TYR 137 -3.472 -12.689 1.477 1064 HE2 TYR 137 HE1 TYR 137 -5.726 -15.122 4.132 1065 HH TYR 137 HH TYR 137 -3.679 -15.717 2.938 1066 H LEU 138 HN LEU 138 -10.180 -12.965 1.795 1067 HA LEU 138 HA LEU 138 -8.973 -15.476 1.478 1068 HB2 LEU 138 2HB LEU 138 -11.820 -14.740 2.266 1069 HB3 LEU 138 1HB LEU 138 -11.191 -16.375 2.343 1070 HG LEU 138 HG LEU 138 -9.475 -15.562 4.039 1071 HD11 LEU 138 1HD1 LEU 138 -9.477 -13.142 3.527 1072 HD12 LEU 138 2HD1 LEU 138 -9.850 -13.447 5.223 1073 HD13 LEU 138 3HD1 LEU 138 -11.141 -13.028 4.101 1074 HD21 LEU 138 3HD2 LEU 138 -11.036 -15.447 5.935 1075 HD22 LEU 138 1HD2 LEU 138 -11.495 -16.718 4.799 1076 HD23 LEU 138 2HD2 LEU 138 -12.383 -15.190 4.817 1077 H HIS 139 HN HIS 139 -11.105 -13.742 -0.669 1078 HA HIS 139 HA HIS 139 -11.603 -16.055 -2.374 1079 HB2 HIS 139 2HB HIS 139 -13.310 -14.288 -2.202 1080 HB3 HIS 139 1HB HIS 139 -12.177 -13.112 -2.851 1081 HD1 HIS 139 HD1 HIS 139 -12.251 -12.787 -5.309 1082 HD2 HIS 139 HD2 HIS 139 -13.922 -16.422 -4.180 1083 HE1 HIS 139 HE1 HIS 139 -13.230 -13.760 -7.409 1084 HE2 HIS 139 HE2 HIS 139 -14.333 -15.899 -6.680 1085 H LEU 140 HN LEU 140 -9.697 -12.993 -2.659 1086 HA LEU 140 HA LEU 140 -8.661 -13.474 -5.244 1087 HB2 LEU 140 2HB LEU 140 -7.614 -11.710 -2.997 1088 HB3 LEU 140 1HB LEU 140 -6.893 -11.736 -4.599 1089 HG LEU 140 HG LEU 140 -9.716 -10.807 -3.925 1090 HD11 LEU 140 1HD1 LEU 140 -7.292 -9.214 -4.842 1091 HD12 LEU 140 2HD1 LEU 140 -7.964 -9.228 -3.208 1092 HD13 LEU 140 3HD1 LEU 140 -8.913 -8.575 -4.543 1093 HD21 LEU 140 3HD2 LEU 140 -9.671 -11.862 -6.138 1094 HD22 LEU 140 1HD2 LEU 140 -8.303 -10.847 -6.609 1095 HD23 LEU 140 2HD2 LEU 140 -9.877 -10.117 -6.276 1096 H PHE 141 HN PHE 141 -7.175 -13.896 -2.074 1097 HA PHE 141 HA PHE 141 -4.697 -14.940 -2.894 1098 HB2 PHE 141 2HB PHE 141 -5.212 -13.908 -0.655 1099 HB3 PHE 141 1HB PHE 141 -6.093 -15.366 -0.222 1100 HD1 PHE 141 HD1 PHE 141 -2.725 -14.006 -1.026 1101 HD2 PHE 141 HD2 PHE 141 -4.911 -17.331 0.563 1102 HE1 PHE 141 HE1 PHE 141 -0.643 -14.973 -0.162 1103 HE2 PHE 141 HE2 PHE 141 -2.815 -18.288 1.423 1104 HZ PHE 141 HZ PHE 141 -0.684 -17.107 1.063 1105 H ASN 142 HN ASN 142 -7.777 -16.542 -2.129 1106 HA ASN 142 HA ASN 142 -6.680 -19.220 -2.277 1107 HB2 ASN 142 2HB ASN 142 -8.715 -18.697 -0.893 1108 HB3 ASN 142 1HB ASN 142 -9.617 -18.403 -2.377 1109 HD21 ASN 142 1HD2 ASN 142 -11.086 -20.097 -1.905 1110 HD22 ASN 142 2HD2 ASN 142 -10.641 -21.758 -2.036 1111 H LYS 143 HN LYS 143 -5.592 -18.983 -4.247 1112 HA LYS 143 HA LYS 143 -6.961 -18.555 -6.745 1113 HB2 LYS 143 2HB LYS 143 -4.695 -19.057 -7.738 1114 HB3 LYS 143 1HB LYS 143 -4.701 -17.743 -6.569 1115 HG2 LYS 143 2HG LYS 143 -3.780 -19.266 -4.851 1116 HG3 LYS 143 1HG LYS 143 -3.759 -20.583 -6.028 1117 HD2 LYS 143 2HD LYS 143 -2.133 -19.350 -7.405 1118 HD3 LYS 143 1HD LYS 143 -2.205 -17.976 -6.296 1119 HE2 LYS 143 2HE LYS 143 -0.182 -19.295 -5.890 1120 HE3 LYS 143 1HE LYS 143 -1.256 -19.394 -4.496 1121 HZ1 LYS 143 3HZ LYS 143 -2.014 -21.564 -5.324 1122 HZ2 LYS 143 1HZ LYS 143 -0.351 -21.548 -5.005 1123 HZ3 LYS 143 2HZ LYS 143 -0.908 -21.468 -6.595 1124 H LEU 144 HN LEU 144 -6.617 -21.218 -4.684 1125 HA LEU 144 HA LEU 144 -6.409 -23.388 -6.485 1126 HB2 LEU 144 2HB LEU 144 -6.131 -23.559 -3.992 1127 HB3 LEU 144 1HB LEU 144 -7.857 -23.301 -3.800 1128 HG LEU 144 HG LEU 144 -8.224 -25.434 -5.168 1129 HD11 LEU 144 1HD1 LEU 144 -6.039 -25.547 -6.269 1130 HD12 LEU 144 2HD1 LEU 144 -6.369 -27.021 -5.367 1131 HD13 LEU 144 3HD1 LEU 144 -5.252 -25.823 -4.712 1132 HD21 LEU 144 3HD2 LEU 144 -7.815 -26.953 -3.296 1133 HD22 LEU 144 1HD2 LEU 144 -8.468 -25.420 -2.722 1134 HD23 LEU 144 2HD2 LEU 144 -6.748 -25.770 -2.538 1135 H GLU 145 HN GLU 145 -7.782 -23.895 -8.070 1136 HA GLU 145 HA GLU 145 -10.467 -22.789 -8.184 1137 HB2 GLU 145 2HB GLU 145 -8.992 -22.721 -10.183 1138 HB3 GLU 145 1HB GLU 145 -8.937 -24.482 -10.211 1139 HG2 GLU 145 2HG GLU 145 -11.352 -24.568 -10.660 1140 HG3 GLU 145 1HG GLU 145 -11.443 -22.809 -10.566 1141 H HIS 146 HN HIS 146 -11.606 -23.923 -6.615 1142 HA HIS 146 HA HIS 146 -12.205 -26.770 -7.203 1143 HB2 HIS 146 2HB HIS 146 -10.934 -26.335 -5.008 1144 HB3 HIS 146 1HB HIS 146 -12.366 -25.491 -4.429 1145 HD1 HIS 146 HD1 HIS 146 -13.239 -27.070 -2.686 1146 HD2 HIS 146 HD2 HIS 146 -12.249 -29.024 -6.222 1147 HE1 HIS 146 HE1 HIS 146 -13.983 -29.449 -2.366 1148 HE2 HIS 146 HE2 HIS 146 -13.494 -30.578 -4.563 1149 H HIS 147 HN HIS 147 -13.837 -26.212 -8.571 1150 HA HIS 147 HA HIS 147 -15.840 -24.260 -8.141 1151 HB2 HIS 147 2HB HIS 147 -15.177 -24.964 -10.401 1152 HB3 HIS 147 1HB HIS 147 -15.713 -26.610 -10.087 1153 HD1 HIS 147 HD1 HIS 147 -17.161 -23.107 -10.449 1154 HD2 HIS 147 HD2 HIS 147 -18.315 -27.085 -10.818 1155 HE1 HIS 147 HE1 HIS 147 -19.467 -23.049 -11.452 1156 HE2 HIS 147 HE2 HIS 147 -20.183 -25.465 -11.578 Start of MODEL 13 1 H1 MET 1 1H MET 1 -16.901 14.270 18.430 2 H2 MET 1 2H MET 1 -16.123 15.466 17.530 3 H3 MET 1 3H MET 1 -15.515 13.888 17.534 4 HA MET 1 HA MET 1 -18.111 14.763 16.440 5 HB2 MET 1 2HB MET 1 -17.173 14.211 14.220 6 HB3 MET 1 1HB MET 1 -16.234 15.468 15.006 7 HG2 MET 1 2HG MET 1 -15.430 12.550 14.878 8 HG3 MET 1 1HG MET 1 -14.826 13.812 13.804 9 HE1 MET 1 3HE MET 1 -12.842 16.089 16.351 10 HE2 MET 1 1HE MET 1 -14.534 16.275 15.901 11 HE3 MET 1 2HE MET 1 -13.334 15.889 14.670 12 H ALA 2 HN ALA 2 -19.440 13.137 15.607 13 HA ALA 2 HA ALA 2 -19.249 10.446 16.505 14 HB1 ALA 2 3HB ALA 2 -20.850 11.598 14.183 15 HB2 ALA 2 1HB ALA 2 -21.400 11.479 15.858 16 HB3 ALA 2 2HB ALA 2 -21.105 10.013 14.920 17 H TYR 3 HN TYR 3 -18.540 8.597 15.386 18 HA TYR 3 HA TYR 3 -16.253 9.004 13.706 19 HB2 TYR 3 2HB TYR 3 -17.604 6.473 14.714 20 HB3 TYR 3 1HB TYR 3 -16.106 6.478 13.782 21 HD1 TYR 3 HD2 TYR 3 -14.034 7.545 14.752 22 HD2 TYR 3 HD1 TYR 3 -17.568 7.023 17.112 23 HE1 TYR 3 HE2 TYR 3 -12.725 7.888 16.793 24 HE2 TYR 3 HE1 TYR 3 -16.243 7.371 19.155 25 HH TYR 3 HH TYR 3 -13.882 7.145 19.862 26 H ASN 4 HN ASN 4 -16.995 9.932 11.868 27 HA ASN 4 HA ASN 4 -18.463 8.249 9.919 28 HB2 ASN 4 2HB ASN 4 -17.995 11.273 9.979 29 HB3 ASN 4 1HB ASN 4 -18.727 10.418 8.625 30 HD21 ASN 4 1HD2 ASN 4 -20.839 9.664 8.806 31 HD22 ASN 4 2HD2 ASN 4 -21.883 10.144 10.096 32 H LYS 5 HN LYS 5 -17.590 8.114 7.824 33 HA LYS 5 HA LYS 5 -14.847 7.689 7.584 34 HB2 LYS 5 2HB LYS 5 -16.608 6.685 6.118 35 HB3 LYS 5 1HB LYS 5 -16.832 8.240 5.339 36 HG2 LYS 5 2HG LYS 5 -15.461 7.203 3.793 37 HG3 LYS 5 1HG LYS 5 -14.239 7.998 4.781 38 HD2 LYS 5 2HD LYS 5 -15.100 5.092 5.112 39 HD3 LYS 5 1HD LYS 5 -13.711 5.605 4.158 40 HE2 LYS 5 2HE LYS 5 -12.680 6.538 6.247 41 HE3 LYS 5 1HE LYS 5 -14.064 5.925 7.160 42 HZ1 LYS 5 3HZ LYS 5 -12.248 4.392 7.296 43 HZ2 LYS 5 1HZ LYS 5 -12.120 4.312 5.614 44 HZ3 LYS 5 2HZ LYS 5 -13.487 3.693 6.385 45 H GLU 6 HN GLU 6 -16.820 10.484 6.755 46 HA GLU 6 HA GLU 6 -14.938 11.979 5.273 47 HB2 GLU 6 2HB GLU 6 -17.233 13.094 6.956 48 HB3 GLU 6 1HB GLU 6 -16.415 13.909 5.630 49 HG2 GLU 6 2HG GLU 6 -18.499 13.231 4.763 50 HG3 GLU 6 1HG GLU 6 -17.328 12.100 4.095 51 H GLU 7 HN GLU 7 -15.999 12.220 8.631 52 HA GLU 7 HA GLU 7 -14.148 14.167 9.509 53 HB2 GLU 7 2HB GLU 7 -15.562 12.132 11.272 54 HB3 GLU 7 1HB GLU 7 -14.977 13.728 11.735 55 HG2 GLU 7 2HG GLU 7 -17.360 13.051 9.988 56 HG3 GLU 7 1HG GLU 7 -17.361 13.871 11.545 57 H LYS 8 HN LYS 8 -13.888 10.682 9.208 58 HA LYS 8 HA LYS 8 -11.588 10.322 10.867 59 HB2 LYS 8 2HB LYS 8 -13.008 8.400 10.232 60 HB3 LYS 8 1HB LYS 8 -12.597 8.631 8.543 61 HG2 LYS 8 2HG LYS 8 -11.270 6.810 9.184 62 HG3 LYS 8 1HG LYS 8 -10.143 8.159 9.238 63 HD2 LYS 8 2HD LYS 8 -11.563 7.041 11.692 64 HD3 LYS 8 1HD LYS 8 -9.982 6.491 11.152 65 HE2 LYS 8 2HE LYS 8 -10.675 9.294 12.090 66 HE3 LYS 8 1HE LYS 8 -9.771 8.084 12.996 67 HZ1 LYS 8 3HZ LYS 8 -8.899 9.332 10.442 68 HZ2 LYS 8 1HZ LYS 8 -8.039 8.171 11.321 69 HZ3 LYS 8 2HZ LYS 8 -8.307 9.701 11.980 70 H ILE 9 HN ILE 9 -12.026 10.658 7.340 71 HA ILE 9 HA ILE 9 -9.381 10.511 6.455 72 HB ILE 9 HB ILE 9 -11.754 12.026 5.261 73 HG12 ILE 9 2HG1 ILE 9 -12.157 9.612 5.390 74 HG13 ILE 9 1HG1 ILE 9 -11.924 10.067 3.710 75 HG21 ILE 9 1HG2 ILE 9 -10.549 12.044 3.091 76 HG22 ILE 9 2HG2 ILE 9 -9.112 11.405 3.887 77 HG23 ILE 9 3HG2 ILE 9 -9.717 13.003 4.317 78 HD11 ILE 9 3HD1 ILE 9 -9.940 8.683 5.503 79 HD12 ILE 9 1HD1 ILE 9 -9.614 9.202 3.847 80 HD13 ILE 9 2HD1 ILE 9 -10.842 7.983 4.164 81 H LYS 10 HN LYS 10 -11.263 13.268 7.554 82 HA LYS 10 HA LYS 10 -9.656 15.435 7.036 83 HB2 LYS 10 2HB LYS 10 -11.982 15.532 7.896 84 HB3 LYS 10 1HB LYS 10 -11.443 14.931 9.460 85 HG2 LYS 10 2HG LYS 10 -11.853 17.343 9.540 86 HG3 LYS 10 1HG LYS 10 -10.144 16.994 9.823 87 HD2 LYS 10 2HD LYS 10 -9.639 17.609 7.464 88 HD3 LYS 10 1HD LYS 10 -11.347 17.958 7.185 89 HE2 LYS 10 2HE LYS 10 -11.255 19.783 8.833 90 HE3 LYS 10 1HE LYS 10 -9.566 19.402 9.179 91 HZ1 LYS 10 3HZ LYS 10 -10.641 20.331 6.575 92 HZ2 LYS 10 1HZ LYS 10 -9.027 19.945 6.889 93 HZ3 LYS 10 2HZ LYS 10 -9.750 21.257 7.671 94 H SER 11 HN SER 11 -9.437 13.165 9.755 95 HA SER 11 HA SER 11 -6.876 14.396 10.622 96 HB2 SER 11 2HB SER 11 -8.971 12.972 12.326 97 HB3 SER 11 1HB SER 11 -7.432 13.609 12.920 98 HG SER 11 HG SER 11 -9.433 14.962 13.086 99 H LEU 12 HN LEU 12 -7.355 12.313 8.586 100 HA LEU 12 HA LEU 12 -5.812 10.056 9.768 101 HB2 LEU 12 2HB LEU 12 -7.933 9.246 8.927 102 HB3 LEU 12 1HB LEU 12 -7.759 10.151 7.434 103 HG LEU 12 HG LEU 12 -5.893 8.653 6.753 104 HD11 LEU 12 1HD1 LEU 12 -6.498 7.113 9.283 105 HD12 LEU 12 2HD1 LEU 12 -5.017 8.005 8.895 106 HD13 LEU 12 3HD1 LEU 12 -5.446 6.572 7.965 107 HD21 LEU 12 3HD2 LEU 12 -8.168 8.172 5.995 108 HD22 LEU 12 1HD2 LEU 12 -8.447 7.157 7.410 109 HD23 LEU 12 2HD2 LEU 12 -7.241 6.693 6.204 110 H ASN 13 HN ASN 13 -6.362 11.801 6.712 111 HA ASN 13 HA ASN 13 -3.897 10.891 5.535 112 HB2 ASN 13 2HB ASN 13 -6.077 12.793 4.599 113 HB3 ASN 13 1HB ASN 13 -4.627 12.503 3.645 114 HD21 ASN 13 1HD2 ASN 13 -7.429 10.883 5.087 115 HD22 ASN 13 2HD2 ASN 13 -7.482 9.598 3.938 116 H ARG 14 HN ARG 14 -4.672 13.566 7.542 117 HA ARG 14 HA ARG 14 -2.909 15.564 6.776 118 HB2 ARG 14 2HB ARG 14 -4.601 15.641 8.646 119 HB3 ARG 14 1HB ARG 14 -3.498 14.687 9.638 120 HG2 ARG 14 2HG ARG 14 -1.817 16.543 9.461 121 HG3 ARG 14 1HG ARG 14 -3.008 17.491 8.562 122 HD2 ARG 14 2HD ARG 14 -3.203 16.540 11.439 123 HD3 ARG 14 1HD ARG 14 -3.057 18.205 10.869 124 HE ARG 14 HE ARG 14 -5.310 17.741 9.751 125 HH11 ARG 14 1HH1 ARG 14 -4.393 16.319 12.844 126 HH12 ARG 14 2HH1 ARG 14 -6.036 16.119 13.370 127 HH21 ARG 14 1HH2 ARG 14 -7.458 17.454 10.452 128 HH22 ARG 14 2HH2 ARG 14 -7.768 16.749 12.010 129 H MET 15 HN MET 15 -2.288 12.616 8.496 130 HA MET 15 HA MET 15 0.553 13.042 8.967 131 HB2 MET 15 2HB MET 15 -0.722 11.718 10.591 132 HB3 MET 15 1HB MET 15 -1.256 10.613 9.334 133 HG2 MET 15 2HG MET 15 1.146 9.907 9.032 134 HG3 MET 15 1HG MET 15 1.557 10.912 10.419 135 HE1 MET 15 3HE MET 15 -1.718 8.713 9.914 136 HE2 MET 15 1HE MET 15 -1.204 7.206 10.675 137 HE3 MET 15 2HE MET 15 -0.442 7.738 9.181 138 H GLN 16 HN GLN 16 -1.464 10.825 7.045 139 HA GLN 16 HA GLN 16 0.596 9.326 5.847 140 HB2 GLN 16 2HB GLN 16 -2.253 9.797 4.911 141 HB3 GLN 16 1HB GLN 16 -1.206 8.479 4.375 142 HG2 GLN 16 2HG GLN 16 -1.184 7.500 6.576 143 HG3 GLN 16 1HG GLN 16 -2.023 8.896 7.263 144 HE21 GLN 16 1HE2 GLN 16 -2.693 5.946 7.006 145 HE22 GLN 16 2HE2 GLN 16 -4.291 5.953 6.360 146 H TYR 17 HN TYR 17 -1.483 11.767 4.392 147 HA TYR 17 HA TYR 17 -0.368 12.059 1.869 148 HB2 TYR 17 2HB TYR 17 -2.449 13.187 2.323 149 HB3 TYR 17 1HB TYR 17 -1.735 14.136 3.615 150 HD1 TYR 17 HD1 TYR 17 -1.439 13.629 -0.112 151 HD2 TYR 17 HD2 TYR 17 -1.118 16.366 3.155 152 HE1 TYR 17 HE1 TYR 17 -1.060 15.473 -1.693 153 HE2 TYR 17 HE2 TYR 17 -0.733 18.207 1.578 154 HH TYR 17 HH TYR 17 0.105 18.512 -0.728 155 H GLU 18 HN GLU 18 0.606 13.765 4.872 156 HA GLU 18 HA GLU 18 2.708 15.319 3.787 157 HB2 GLU 18 2HB GLU 18 1.782 15.727 6.050 158 HB3 GLU 18 1HB GLU 18 2.416 14.178 6.603 159 HG2 GLU 18 2HG GLU 18 4.745 15.052 6.086 160 HG3 GLU 18 1HG GLU 18 4.015 16.627 5.779 161 H VAL 19 HN VAL 19 2.622 11.995 4.977 162 HA VAL 19 HA VAL 19 5.461 11.549 5.078 163 HB VAL 19 HB VAL 19 3.078 9.642 5.168 164 HG11 VAL 19 1HG1 VAL 19 4.651 7.798 5.747 165 HG12 VAL 19 2HG1 VAL 19 6.008 8.847 5.342 166 HG13 VAL 19 3HG1 VAL 19 4.871 8.355 4.080 167 HG21 VAL 19 3HG2 VAL 19 5.140 10.413 7.264 168 HG22 VAL 19 1HG2 VAL 19 3.796 9.292 7.508 169 HG23 VAL 19 2HG2 VAL 19 3.473 11.000 7.187 170 H THR 20 HN THR 20 2.986 10.209 2.907 171 HA THR 20 HA THR 20 4.652 9.043 1.016 172 HB THR 20 HB THR 20 2.594 8.901 -0.405 173 HG1 THR 20 HG1 THR 20 1.523 10.630 1.608 174 HG21 THR 20 3HG2 THR 20 2.863 7.265 1.412 175 HG22 THR 20 1HG2 THR 20 1.164 7.690 1.218 176 HG23 THR 20 2HG2 THR 20 2.097 8.377 2.548 177 H GLN 21 HN GLN 21 3.713 12.387 1.330 178 HA GLN 21 HA GLN 21 4.150 13.222 -1.391 179 HB2 GLN 21 2HB GLN 21 2.778 14.478 0.333 180 HB3 GLN 21 1HB GLN 21 4.276 14.930 1.132 181 HG2 GLN 21 2HG GLN 21 4.966 16.155 -0.921 182 HG3 GLN 21 1HG GLN 21 3.428 15.727 -1.673 183 HE21 GLN 21 1HE2 GLN 21 4.464 18.378 -1.145 184 HE22 GLN 21 2HE2 GLN 21 3.332 19.161 -0.103 185 H ASN 22 HN ASN 22 6.150 12.942 1.505 186 HA ASN 22 HA ASN 22 8.520 14.081 0.145 187 HB2 ASN 22 2HB ASN 22 7.742 14.990 2.431 188 HB3 ASN 22 1HB ASN 22 8.234 13.444 3.124 189 HD21 ASN 22 1HD2 ASN 22 9.919 14.196 4.366 190 HD22 ASN 22 2HD2 ASN 22 11.341 14.940 3.723 191 H ASN 23 HN ASN 23 7.078 11.142 0.831 192 HA ASN 23 HA ASN 23 7.632 8.965 0.920 193 HB2 ASN 23 2HB ASN 23 10.298 9.889 -0.236 194 HB3 ASN 23 1HB ASN 23 9.859 8.200 -0.031 195 HD21 ASN 23 1HD2 ASN 23 7.690 10.794 -1.154 196 HD22 ASN 23 2HD2 ASN 23 7.499 10.167 -2.734 197 H GLY 24 HN GLY 24 7.748 10.435 3.205 198 HA2 GLY 24 2HA GLY 24 10.166 9.991 4.720 199 HA3 GLY 24 1HA GLY 24 8.683 10.755 5.275 200 H THR 25 HN THR 25 9.752 9.286 7.011 201 HA THR 25 HA THR 25 8.162 6.787 7.148 202 HB THR 25 HB THR 25 10.624 6.364 7.238 203 HG1 THR 25 HG1 THR 25 9.166 5.834 9.637 204 HG21 THR 25 3HG2 THR 25 10.578 7.972 9.824 205 HG22 THR 25 1HG2 THR 25 11.401 8.428 8.341 206 HG23 THR 25 2HG2 THR 25 11.933 6.999 9.236 207 H GLU 26 HN GLU 26 6.786 6.568 8.911 208 HA GLU 26 HA GLU 26 5.883 8.838 10.314 209 HB2 GLU 26 2HB GLU 26 4.819 6.891 11.872 210 HB3 GLU 26 1HB GLU 26 4.162 7.312 10.304 211 HG2 GLU 26 2HG GLU 26 4.315 4.849 10.731 212 HG3 GLU 26 1HG GLU 26 5.127 5.387 9.264 213 HA PRO 27 HA PRO 27 8.568 9.585 13.809 214 HB2 PRO 27 2HB PRO 27 6.041 9.325 15.464 215 HB3 PRO 27 1HB PRO 27 7.317 10.553 15.554 216 HG2 PRO 27 2HG PRO 27 5.054 11.132 14.307 217 HG3 PRO 27 1HG PRO 27 6.601 11.625 13.580 218 HD2 PRO 27 2HD PRO 27 4.778 9.352 12.803 219 HD3 PRO 27 1HD PRO 27 5.757 10.418 11.770 220 HA PRO 28 HA PRO 28 9.425 5.418 15.236 221 HB2 PRO 28 2HB PRO 28 11.586 5.887 16.836 222 HB3 PRO 28 1HB PRO 28 11.668 6.002 15.073 223 HG2 PRO 28 2HG PRO 28 11.387 8.217 17.096 224 HG3 PRO 28 1HG PRO 28 12.413 8.154 15.647 225 HD2 PRO 28 2HD PRO 28 9.997 9.469 15.708 226 HD3 PRO 28 1HD PRO 28 10.665 8.749 14.227 227 H PHE 29 HN PHE 29 8.940 4.094 16.953 228 HA PHE 29 HA PHE 29 8.033 3.333 18.872 229 HB2 PHE 29 2HB PHE 29 9.167 5.893 20.089 230 HB3 PHE 29 1HB PHE 29 8.531 4.544 21.020 231 HD1 PHE 29 HD2 PHE 29 9.810 2.442 21.234 232 HD2 PHE 29 HD1 PHE 29 11.374 5.731 18.981 233 HE1 PHE 29 HE2 PHE 29 12.044 1.409 21.257 234 HE2 PHE 29 HE1 PHE 29 13.598 4.684 19.008 235 HZ PHE 29 HZ PHE 29 13.939 2.525 20.144 236 H GLN 30 HN GLN 30 6.359 4.887 17.039 237 HA GLN 30 HA GLN 30 4.504 6.358 18.805 238 HB2 GLN 30 2HB GLN 30 5.195 7.445 16.682 239 HB3 GLN 30 1HB GLN 30 4.517 6.106 15.769 240 HG2 GLN 30 2HG GLN 30 2.259 6.682 16.588 241 HG3 GLN 30 1HG GLN 30 2.941 8.011 17.530 242 HE21 GLN 30 1HE2 GLN 30 1.708 9.561 16.451 243 HE22 GLN 30 2HE2 GLN 30 2.031 10.036 14.821 244 H ASN 31 HN ASN 31 4.440 3.684 16.380 245 HA ASN 31 HA ASN 31 1.974 2.646 17.646 246 HB2 ASN 31 2HB ASN 31 2.466 3.213 14.692 247 HB3 ASN 31 1HB ASN 31 1.233 2.080 15.225 248 HD21 ASN 31 1HD2 ASN 31 1.229 4.869 13.896 249 HD22 ASN 31 2HD2 ASN 31 0.048 5.733 14.817 250 H GLU 32 HN GLU 32 1.900 0.505 17.860 251 HA GLU 32 HA GLU 32 4.114 -1.207 17.026 252 HB2 GLU 32 2HB GLU 32 2.941 -2.960 18.346 253 HB3 GLU 32 1HB GLU 32 3.225 -1.501 19.291 254 HG2 GLU 32 2HG GLU 32 0.888 -0.822 18.999 255 HG3 GLU 32 1HG GLU 32 0.584 -2.229 17.983 256 H TYR 33 HN TYR 33 1.366 -0.092 15.593 257 HA TYR 33 HA TYR 33 0.096 -2.290 14.408 258 HB2 TYR 33 2HB TYR 33 0.387 0.581 13.420 259 HB3 TYR 33 1HB TYR 33 -0.716 -0.597 12.715 260 HD1 TYR 33 HD1 TYR 33 0.078 0.942 16.059 261 HD2 TYR 33 HD2 TYR 33 -2.962 -0.552 13.464 262 HE1 TYR 33 HE1 TYR 33 -1.622 1.679 17.646 263 HE2 TYR 33 HE2 TYR 33 -4.677 0.183 15.064 264 HH TYR 33 HH TYR 33 -3.945 2.261 17.703 265 H TRP 34 HN TRP 34 2.976 -0.480 13.509 266 HA TRP 34 HA TRP 34 3.146 -1.568 10.822 267 HB2 TRP 34 2HB TRP 34 5.472 -0.181 12.162 268 HB3 TRP 34 1HB TRP 34 4.953 -0.109 10.482 269 HD1 TRP 34 HD1 TRP 34 5.324 2.212 13.064 270 HE1 TRP 34 HE1 TRP 34 3.600 4.102 13.075 271 HE3 TRP 34 HE3 TRP 34 1.724 0.052 10.105 272 HZ2 TRP 34 HZ2 TRP 34 1.027 4.609 11.997 273 HZ3 TRP 34 HZ3 TRP 34 -0.347 1.309 9.681 274 HH2 TRP 34 HH2 TRP 34 -0.691 3.541 10.604 275 H ASP 35 HN ASP 35 4.290 -2.436 13.983 276 HA ASP 35 HA ASP 35 6.262 -4.385 13.244 277 HB2 ASP 35 2HB ASP 35 4.552 -4.094 15.756 278 HB3 ASP 35 1HB ASP 35 5.858 -5.266 15.588 279 H HIS 36 HN HIS 36 2.785 -4.445 13.957 280 HA HIS 36 HA HIS 36 2.426 -7.257 14.035 281 HB2 HIS 36 2HB HIS 36 0.484 -4.952 13.674 282 HB3 HIS 36 1HB HIS 36 -0.066 -6.622 13.636 283 HD1 HIS 36 HD1 HIS 36 -1.404 -6.624 15.741 284 HD2 HIS 36 HD2 HIS 36 2.468 -5.248 16.347 285 HE1 HIS 36 HE1 HIS 36 -1.146 -6.415 18.230 286 HE2 HIS 36 HE2 HIS 36 1.154 -5.440 18.560 287 H LYS 37 HN LYS 37 3.064 -8.416 12.353 288 HA LYS 37 HA LYS 37 2.191 -7.818 9.605 289 HB2 LYS 37 2HB LYS 37 4.124 -9.963 10.600 290 HB3 LYS 37 1HB LYS 37 3.826 -9.527 8.921 291 HG2 LYS 37 2HG LYS 37 5.162 -7.795 11.019 292 HG3 LYS 37 1HG LYS 37 5.962 -8.642 9.694 293 HD2 LYS 37 2HD LYS 37 4.641 -7.226 8.072 294 HD3 LYS 37 1HD LYS 37 3.990 -6.329 9.452 295 HE2 LYS 37 2HE LYS 37 6.903 -6.497 8.597 296 HE3 LYS 37 1HE LYS 37 5.851 -5.082 8.498 297 HZ1 LYS 37 3HZ LYS 37 6.716 -6.414 11.016 298 HZ2 LYS 37 1HZ LYS 37 5.731 -5.047 10.909 299 HZ3 LYS 37 2HZ LYS 37 7.339 -4.968 10.405 300 H GLU 38 HN GLU 38 0.168 -8.494 11.334 301 HA GLU 38 HA GLU 38 -0.389 -11.172 11.832 302 HB2 GLU 38 2HB GLU 38 -2.326 -8.862 11.391 303 HB3 GLU 38 1HB GLU 38 -2.776 -10.425 12.072 304 HG2 GLU 38 2HG GLU 38 -0.866 -8.402 13.284 305 HG3 GLU 38 1HG GLU 38 -2.486 -8.798 13.854 306 H GLU 39 HN GLU 39 -1.228 -12.841 10.675 307 HA GLU 39 HA GLU 39 -0.944 -12.845 7.888 308 HB2 GLU 39 2HB GLU 39 -2.414 -14.826 9.677 309 HB3 GLU 39 1HB GLU 39 -2.017 -15.108 7.983 310 HG2 GLU 39 2HG GLU 39 0.386 -14.972 8.519 311 HG3 GLU 39 1HG GLU 39 -0.004 -14.690 10.217 312 H GLY 40 HN GLY 40 -2.304 -12.471 6.285 313 HA2 GLY 40 2HA GLY 40 -4.832 -12.489 5.725 314 HA3 GLY 40 1HA GLY 40 -4.862 -11.167 6.897 315 H LEU 41 HN LEU 41 -4.644 -9.173 6.028 316 HA LEU 41 HA LEU 41 -3.140 -8.866 3.490 317 HB2 LEU 41 2HB LEU 41 -5.788 -7.616 4.314 318 HB3 LEU 41 1HB LEU 41 -4.837 -7.036 2.953 319 HG LEU 41 HG LEU 41 -5.921 -9.871 3.126 320 HD11 LEU 41 1HD1 LEU 41 -7.701 -9.191 1.631 321 HD12 LEU 41 2HD1 LEU 41 -7.143 -7.511 1.681 322 HD13 LEU 41 3HD1 LEU 41 -7.779 -8.284 3.137 323 HD21 LEU 41 3HD2 LEU 41 -4.016 -9.631 1.602 324 HD22 LEU 41 1HD2 LEU 41 -4.814 -8.291 0.776 325 HD23 LEU 41 2HD2 LEU 41 -5.501 -9.916 0.696 326 H TYR 42 HN TYR 42 -2.430 -6.733 3.082 327 HA TYR 42 HA TYR 42 -2.486 -4.793 5.306 328 HB2 TYR 42 2HB TYR 42 -0.274 -4.201 4.960 329 HB3 TYR 42 1HB TYR 42 -0.124 -5.763 4.181 330 HD1 TYR 42 HD1 TYR 42 -0.195 -5.888 1.632 331 HD2 TYR 42 HD2 TYR 42 -0.052 -2.149 3.687 332 HE1 TYR 42 HE1 TYR 42 0.412 -4.752 -0.455 333 HE2 TYR 42 HE2 TYR 42 0.562 -1.031 1.595 334 HH TYR 42 HH TYR 42 1.557 -1.545 -0.547 335 H VAL 43 HN VAL 43 -3.456 -2.879 4.720 336 HA VAL 43 HA VAL 43 -4.256 -2.426 1.923 337 HB VAL 43 HB VAL 43 -6.533 -1.856 2.520 338 HG11 VAL 43 1HG1 VAL 43 -6.126 -4.262 2.132 339 HG12 VAL 43 2HG1 VAL 43 -7.474 -4.007 3.242 340 HG13 VAL 43 3HG1 VAL 43 -5.901 -4.513 3.864 341 HG21 VAL 43 3HG2 VAL 43 -5.840 -2.371 5.442 342 HG22 VAL 43 1HG2 VAL 43 -7.459 -2.027 4.818 343 HG23 VAL 43 2HG2 VAL 43 -6.193 -0.802 4.708 344 H ASP 44 HN ASP 44 -4.762 -0.162 1.515 345 HA ASP 44 HA ASP 44 -3.332 1.748 3.178 346 HB2 ASP 44 2HB ASP 44 -4.233 3.444 1.538 347 HB3 ASP 44 1HB ASP 44 -3.325 2.141 0.772 348 H ILE 45 HN ILE 45 -4.265 2.912 4.834 349 HA ILE 45 HA ILE 45 -6.970 2.520 5.637 350 HB ILE 45 HB ILE 45 -5.483 4.985 6.600 351 HG12 ILE 45 2HG1 ILE 45 -4.884 2.161 7.585 352 HG13 ILE 45 1HG1 ILE 45 -3.794 3.142 6.617 353 HG21 ILE 45 1HG2 ILE 45 -6.605 4.442 8.747 354 HG22 ILE 45 2HG2 ILE 45 -7.294 2.983 8.033 355 HG23 ILE 45 3HG2 ILE 45 -7.784 4.571 7.437 356 HD11 ILE 45 3HD1 ILE 45 -3.140 3.164 8.940 357 HD12 ILE 45 1HD1 ILE 45 -4.728 3.769 9.419 358 HD13 ILE 45 2HD1 ILE 45 -3.654 4.776 8.443 359 H VAL 46 HN VAL 46 -5.493 4.752 3.461 360 HA VAL 46 HA VAL 46 -7.124 7.002 3.631 361 HB VAL 46 HB VAL 46 -6.262 7.672 1.422 362 HG11 VAL 46 1HG1 VAL 46 -3.848 7.601 1.946 363 HG12 VAL 46 2HG1 VAL 46 -4.136 6.328 3.137 364 HG13 VAL 46 3HG1 VAL 46 -4.810 7.944 3.390 365 HG21 VAL 46 3HG2 VAL 46 -4.792 6.186 0.086 366 HG22 VAL 46 1HG2 VAL 46 -6.424 5.514 0.219 367 HG23 VAL 46 2HG2 VAL 46 -5.117 4.860 1.204 368 H SER 47 HN SER 47 -7.697 4.074 1.690 369 HA SER 47 HA SER 47 -10.496 4.921 1.344 370 HB2 SER 47 2HB SER 47 -10.545 4.103 -1.020 371 HB3 SER 47 1HB SER 47 -9.468 5.479 -0.807 372 HG SER 47 HG SER 47 -7.746 3.806 -0.634 373 H GLY 48 HN GLY 48 -8.211 2.488 2.020 374 HA2 GLY 48 2HA GLY 48 -8.543 0.480 3.143 375 HA3 GLY 48 1HA GLY 48 -10.276 0.682 2.960 376 H LYS 49 HN LYS 49 -7.711 0.536 0.497 377 HA LYS 49 HA LYS 49 -9.198 -1.581 -0.913 378 HB2 LYS 49 2HB LYS 49 -6.919 0.240 -1.770 379 HB3 LYS 49 1HB LYS 49 -7.547 -1.066 -2.777 380 HG2 LYS 49 2HG LYS 49 -9.762 -0.006 -2.785 381 HG3 LYS 49 1HG LYS 49 -9.144 1.317 -1.785 382 HD2 LYS 49 2HD LYS 49 -7.773 2.152 -3.545 383 HD3 LYS 49 1HD LYS 49 -7.891 0.646 -4.471 384 HE2 LYS 49 2HE LYS 49 -10.201 2.550 -3.946 385 HE3 LYS 49 1HE LYS 49 -9.274 2.461 -5.444 386 HZ1 LYS 49 3HZ LYS 49 -10.014 0.186 -5.732 387 HZ2 LYS 49 1HZ LYS 49 -11.340 1.221 -5.587 388 HZ3 LYS 49 2HZ LYS 49 -10.878 0.249 -4.286 389 HA PRO 50 HA PRO 50 -6.129 -4.610 0.522 390 HB2 PRO 50 2HB PRO 50 -7.284 -6.332 -1.638 391 HB3 PRO 50 1HB PRO 50 -7.168 -6.643 0.100 392 HG2 PRO 50 2HG PRO 50 -9.530 -6.077 -1.045 393 HG3 PRO 50 1HG PRO 50 -9.132 -5.474 0.579 394 HD2 PRO 50 2HD PRO 50 -9.029 -4.003 -2.066 395 HD3 PRO 50 1HD PRO 50 -9.682 -3.462 -0.497 396 H LEU 51 HN LEU 51 -4.074 -4.384 -0.147 397 HA LEU 51 HA LEU 51 -3.530 -3.786 -2.996 398 HB2 LEU 51 2HB LEU 51 -1.874 -3.105 -0.545 399 HB3 LEU 51 1HB LEU 51 -1.531 -2.607 -2.196 400 HG LEU 51 HG LEU 51 -3.921 -1.722 -0.536 401 HD11 LEU 51 1HD1 LEU 51 -1.447 -0.169 -1.329 402 HD12 LEU 51 2HD1 LEU 51 -1.839 -0.764 0.288 403 HD13 LEU 51 3HD1 LEU 51 -2.850 0.470 -0.463 404 HD21 LEU 51 3HD2 LEU 51 -4.434 -0.175 -2.365 405 HD22 LEU 51 1HD2 LEU 51 -4.473 -1.846 -2.938 406 HD23 LEU 51 2HD2 LEU 51 -3.092 -0.813 -3.315 407 H PHE 52 HN PHE 52 -2.532 -5.750 -0.236 408 HA PHE 52 HA PHE 52 -1.858 -7.987 -1.816 409 HB2 PHE 52 2HB PHE 52 0.227 -6.575 -2.312 410 HB3 PHE 52 1HB PHE 52 0.633 -6.669 -0.606 411 HD1 PHE 52 HD1 PHE 52 -0.210 -8.969 -3.469 412 HD2 PHE 52 HD2 PHE 52 2.182 -8.345 0.021 413 HE1 PHE 52 HE1 PHE 52 0.989 -11.071 -3.899 414 HE2 PHE 52 HE2 PHE 52 3.382 -10.434 -0.430 415 HZ PHE 52 HZ PHE 52 2.787 -11.806 -2.383 416 H THR 53 HN THR 53 -0.729 -9.722 -0.325 417 HA THR 53 HA THR 53 -2.199 -9.800 2.165 418 HB THR 53 HB THR 53 -1.317 -12.114 2.320 419 HG1 THR 53 HG1 THR 53 0.059 -12.808 0.507 420 HG21 THR 53 3HG2 THR 53 -2.186 -11.475 -0.534 421 HG22 THR 53 1HG2 THR 53 -3.278 -11.751 0.827 422 HG23 THR 53 2HG2 THR 53 -2.251 -13.062 0.240 423 H SER 54 HN SER 54 -1.334 -9.610 4.233 424 HA SER 54 HA SER 54 1.449 -8.964 4.679 425 HB2 SER 54 2HB SER 54 -0.410 -7.987 6.063 426 HB3 SER 54 1HB SER 54 -0.697 -9.583 6.751 427 HG SER 54 HG SER 54 1.695 -9.427 7.263 428 H LYS 55 HN LYS 55 -0.465 -11.805 4.515 429 HA LYS 55 HA LYS 55 0.987 -13.733 5.893 430 HB2 LYS 55 2HB LYS 55 -1.111 -14.353 4.892 431 HB3 LYS 55 1HB LYS 55 -0.577 -13.848 3.291 432 HG2 LYS 55 2HG LYS 55 1.076 -15.727 3.290 433 HG3 LYS 55 1HG LYS 55 0.415 -16.277 4.835 434 HD2 LYS 55 2HD LYS 55 -1.696 -16.822 3.828 435 HD3 LYS 55 1HD LYS 55 -1.285 -15.968 2.334 436 HE2 LYS 55 2HE LYS 55 0.087 -18.489 3.347 437 HE3 LYS 55 1HE LYS 55 -1.132 -18.421 2.071 438 HZ1 LYS 55 3HZ LYS 55 0.988 -18.481 1.043 439 HZ2 LYS 55 1HZ LYS 55 1.586 -17.233 2.008 440 HZ3 LYS 55 2HZ LYS 55 0.407 -16.906 0.849 441 H ASP 56 HN ASP 56 1.449 -12.576 2.538 442 HA ASP 56 HA ASP 56 3.984 -14.067 2.298 443 HB2 ASP 56 2HB ASP 56 2.288 -12.627 0.210 444 HB3 ASP 56 1HB ASP 56 3.783 -13.490 -0.137 445 H LYS 57 HN LYS 57 3.886 -11.870 4.063 446 HA LYS 57 HA LYS 57 5.575 -9.817 2.759 447 HB2 LYS 57 2HB LYS 57 3.660 -8.939 4.077 448 HB3 LYS 57 1HB LYS 57 4.219 -9.812 5.492 449 HG2 LYS 57 2HG LYS 57 4.978 -7.694 5.994 450 HG3 LYS 57 1HG LYS 57 6.408 -8.340 5.193 451 HD2 LYS 57 2HD LYS 57 4.299 -6.580 3.882 452 HD3 LYS 57 1HD LYS 57 5.835 -6.005 4.520 453 HE2 LYS 57 2HE LYS 57 5.531 -7.971 2.223 454 HE3 LYS 57 1HE LYS 57 5.838 -6.245 2.056 455 HZ1 LYS 57 3HZ LYS 57 7.934 -6.508 3.136 456 HZ2 LYS 57 1HZ LYS 57 7.840 -7.597 1.846 457 HZ3 LYS 57 2HZ LYS 57 7.642 -8.141 3.435 458 H PHE 58 HN PHE 58 7.730 -9.968 3.027 459 HA PHE 58 HA PHE 58 8.930 -11.271 5.405 460 HB2 PHE 58 2HB PHE 58 9.768 -12.126 3.263 461 HB3 PHE 58 1HB PHE 58 10.064 -10.504 2.664 462 HD1 PHE 58 HD2 PHE 58 11.206 -12.981 5.244 463 HD2 PHE 58 HD1 PHE 58 12.221 -9.495 2.970 464 HE1 PHE 58 HE2 PHE 58 13.523 -13.105 6.065 465 HE2 PHE 58 HE1 PHE 58 14.528 -9.629 3.801 466 HZ PHE 58 HZ PHE 58 15.181 -11.429 5.349 467 H ASP 59 HN ASP 59 11.030 -9.975 6.146 468 HA ASP 59 HA ASP 59 10.397 -7.564 7.319 469 HB2 ASP 59 2HB ASP 59 13.127 -8.656 6.516 470 HB3 ASP 59 1HB ASP 59 12.930 -7.231 7.531 471 H SER 60 HN SER 60 10.948 -5.379 6.949 472 HA SER 60 HA SER 60 10.818 -4.518 4.193 473 HB2 SER 60 2HB SER 60 10.710 -2.202 5.246 474 HB3 SER 60 1HB SER 60 9.435 -3.310 5.754 475 HG SER 60 HG SER 60 11.790 -2.640 7.188 476 H GLN 61 HN GLN 61 12.862 -5.550 3.690 477 HA GLN 61 HA GLN 61 15.390 -4.739 4.664 478 HB2 GLN 61 2HB GLN 61 16.253 -5.963 2.618 479 HB3 GLN 61 1HB GLN 61 15.154 -6.900 3.625 480 HG2 GLN 61 2HG GLN 61 13.310 -6.503 2.056 481 HG3 GLN 61 1HG GLN 61 14.350 -5.488 1.056 482 HE21 GLN 61 1HE2 GLN 61 15.925 -6.473 -0.232 483 HE22 GLN 61 2HE2 GLN 61 15.916 -8.170 -0.568 484 H CYS 62 HN CYS 62 13.317 -3.514 2.148 485 HA CYS 62 HA CYS 62 15.356 -1.693 1.048 486 HB2 CYS 62 2HB CYS 62 13.474 -1.335 -0.680 487 HB3 CYS 62 1HB CYS 62 14.195 -2.942 -0.624 488 HG CYS 62 HG CYS 62 11.060 -2.014 -0.063 489 H GLY 63 HN GLY 63 14.139 -1.314 3.729 490 HA2 GLY 63 2HA GLY 63 13.687 0.570 4.992 491 HA3 GLY 63 1HA GLY 63 13.403 1.491 3.524 492 H TRP 64 HN TRP 64 11.415 0.840 2.307 493 HA TRP 64 HA TRP 64 9.121 0.494 4.120 494 HB2 TRP 64 2HB TRP 64 9.320 1.682 1.314 495 HB3 TRP 64 1HB TRP 64 7.807 1.484 2.198 496 HD1 TRP 64 HD1 TRP 64 7.239 3.288 4.061 497 HE1 TRP 64 HE1 TRP 64 8.340 5.488 4.811 498 HE3 TRP 64 HE3 TRP 64 11.705 2.855 1.602 499 HZ2 TRP 64 HZ2 TRP 64 10.759 6.843 4.438 500 HZ3 TRP 64 HZ3 TRP 64 13.361 4.661 1.856 501 HH2 TRP 64 HH2 TRP 64 12.893 6.614 3.246 502 HA PRO 65 HA PRO 65 8.540 -3.633 2.832 503 HB2 PRO 65 2HB PRO 65 5.801 -3.962 2.929 504 HB3 PRO 65 1HB PRO 65 6.819 -3.835 4.367 505 HG2 PRO 65 2HG PRO 65 5.205 -1.677 3.001 506 HG3 PRO 65 1HG PRO 65 5.314 -2.054 4.736 507 HD2 PRO 65 2HD PRO 65 6.730 -0.025 3.666 508 HD3 PRO 65 1HD PRO 65 7.421 -1.037 4.957 509 H SER 66 HN SER 66 9.013 -4.257 0.785 510 HA SER 66 HA SER 66 7.264 -3.487 -1.466 511 HB2 SER 66 2HB SER 66 10.087 -4.640 -1.486 512 HB3 SER 66 1HB SER 66 9.152 -4.206 -2.923 513 HG SER 66 HG SER 66 9.142 -2.143 -1.219 514 H PHE 67 HN PHE 67 6.664 -5.154 -3.040 515 HA PHE 67 HA PHE 67 6.074 -7.742 -1.715 516 HB2 PHE 67 2HB PHE 67 4.014 -6.159 -3.313 517 HB3 PHE 67 1HB PHE 67 3.732 -7.544 -2.262 518 HD1 PHE 67 HD2 PHE 67 3.799 -7.259 0.223 519 HD2 PHE 67 HD1 PHE 67 4.187 -3.921 -2.411 520 HE1 PHE 67 HE2 PHE 67 3.437 -5.722 2.098 521 HE2 PHE 67 HE1 PHE 67 3.837 -2.410 -0.526 522 HZ PHE 67 HZ PHE 67 3.469 -3.298 1.730 523 H THR 68 HN THR 68 5.615 -9.498 -3.142 524 HA THR 68 HA THR 68 7.265 -9.674 -5.405 525 HB THR 68 HB THR 68 6.271 -11.958 -5.625 526 HG1 THR 68 HG1 THR 68 4.458 -12.492 -4.549 527 HG21 THR 68 3HG2 THR 68 8.038 -11.632 -3.920 528 HG22 THR 68 1HG2 THR 68 6.841 -12.814 -3.373 529 HG23 THR 68 2HG2 THR 68 6.816 -11.173 -2.732 530 H LYS 69 HN LYS 69 3.782 -9.172 -5.054 531 HA LYS 69 HA LYS 69 3.455 -7.876 -7.528 532 HB2 LYS 69 2HB LYS 69 3.530 -10.156 -8.521 533 HB3 LYS 69 1HB LYS 69 2.243 -10.680 -7.441 534 HG2 LYS 69 2HG LYS 69 0.740 -8.935 -8.522 535 HG3 LYS 69 1HG LYS 69 2.028 -8.638 -9.690 536 HD2 LYS 69 2HD LYS 69 0.347 -10.130 -10.640 537 HD3 LYS 69 1HD LYS 69 1.870 -11.001 -10.442 538 HE2 LYS 69 2HE LYS 69 0.995 -12.037 -8.372 539 HE3 LYS 69 1HE LYS 69 -0.520 -11.154 -8.564 540 HZ1 LYS 69 3HZ LYS 69 -0.902 -12.329 -10.629 541 HZ2 LYS 69 1HZ LYS 69 -0.685 -13.421 -9.358 542 HZ3 LYS 69 2HZ LYS 69 0.561 -13.157 -10.465 543 HA PRO 70 HA PRO 70 0.184 -6.737 -4.421 544 HB2 PRO 70 2HB PRO 70 0.581 -4.217 -6.054 545 HB3 PRO 70 1HB PRO 70 0.320 -4.405 -4.309 546 HG2 PRO 70 2HG PRO 70 2.759 -3.894 -5.203 547 HG3 PRO 70 1HG PRO 70 2.530 -5.100 -3.917 548 HD2 PRO 70 2HD PRO 70 2.999 -5.556 -6.879 549 HD3 PRO 70 1HD PRO 70 3.729 -6.384 -5.481 550 H ILE 71 HN ILE 71 -1.949 -6.541 -4.805 551 HA ILE 71 HA ILE 71 -3.225 -7.541 -7.011 552 HB ILE 71 HB ILE 71 -4.336 -5.612 -4.918 553 HG12 ILE 71 2HG1 ILE 71 -4.391 -8.670 -4.985 554 HG13 ILE 71 1HG1 ILE 71 -3.286 -7.711 -4.011 555 HG21 ILE 71 1HG2 ILE 71 -5.865 -7.460 -6.788 556 HG22 ILE 71 2HG2 ILE 71 -5.849 -5.694 -6.846 557 HG23 ILE 71 3HG2 ILE 71 -6.574 -6.522 -5.466 558 HD11 ILE 71 3HD1 ILE 71 -5.158 -6.828 -2.727 559 HD12 ILE 71 1HD1 ILE 71 -5.122 -8.594 -2.691 560 HD13 ILE 71 2HD1 ILE 71 -6.287 -7.760 -3.716 561 H GLU 72 HN GLU 72 -3.316 -6.801 -8.971 562 HA GLU 72 HA GLU 72 -2.271 -4.216 -9.708 563 HB2 GLU 72 2HB GLU 72 -2.406 -5.093 -12.035 564 HB3 GLU 72 1HB GLU 72 -1.581 -6.196 -10.936 565 HG2 GLU 72 2HG GLU 72 -3.806 -7.444 -10.732 566 HG3 GLU 72 1HG GLU 72 -4.370 -6.463 -12.083 567 H GLU 73 HN GLU 73 -5.332 -5.324 -9.036 568 HA GLU 73 HA GLU 73 -6.846 -3.664 -10.895 569 HB2 GLU 73 2HB GLU 73 -7.626 -5.932 -10.239 570 HB3 GLU 73 1HB GLU 73 -7.794 -5.398 -8.571 571 HG2 GLU 73 2HG GLU 73 -9.613 -3.939 -9.132 572 HG3 GLU 73 1HG GLU 73 -9.315 -4.120 -10.860 573 H GLU 74 HN GLU 74 -5.863 -3.665 -7.464 574 HA GLU 74 HA GLU 74 -7.358 -1.195 -6.899 575 HB2 GLU 74 2HB GLU 74 -5.623 -2.861 -5.029 576 HB3 GLU 74 1HB GLU 74 -6.689 -1.541 -4.558 577 HG2 GLU 74 2HG GLU 74 -7.482 -4.267 -5.612 578 HG3 GLU 74 1HG GLU 74 -7.728 -3.641 -3.989 579 H VAL 75 HN VAL 75 -4.147 -2.324 -7.561 580 HA VAL 75 HA VAL 75 -2.879 0.241 -6.840 581 HB VAL 75 HB VAL 75 -1.671 -2.478 -7.553 582 HG11 VAL 75 1HG1 VAL 75 0.517 -1.501 -6.883 583 HG12 VAL 75 2HG1 VAL 75 -0.252 0.087 -6.742 584 HG13 VAL 75 3HG1 VAL 75 -0.162 -0.714 -8.314 585 HG21 VAL 75 3HG2 VAL 75 -0.963 -2.563 -5.187 586 HG22 VAL 75 1HG2 VAL 75 -2.722 -2.462 -5.332 587 HG23 VAL 75 2HG2 VAL 75 -1.786 -1.031 -4.885 588 H GLU 76 HN GLU 76 -2.189 1.587 -8.412 589 HA GLU 76 HA GLU 76 -2.145 0.707 -11.247 590 HB2 GLU 76 2HB GLU 76 -4.249 1.929 -10.888 591 HB3 GLU 76 1HB GLU 76 -3.389 3.262 -10.124 592 HG2 GLU 76 2HG GLU 76 -2.272 3.760 -12.279 593 HG3 GLU 76 1HG GLU 76 -3.155 2.433 -13.037 594 H GLU 77 HN GLU 77 -0.302 1.307 -12.273 595 HA GLU 77 HA GLU 77 1.740 2.844 -10.837 596 HB2 GLU 77 2HB GLU 77 3.240 2.052 -12.707 597 HB3 GLU 77 1HB GLU 77 2.463 0.752 -11.808 598 HG2 GLU 77 2HG GLU 77 0.749 0.578 -13.625 599 HG3 GLU 77 1HG GLU 77 1.645 1.788 -14.543 600 H LYS 78 HN LYS 78 2.882 4.636 -11.760 601 HA LYS 78 HA LYS 78 1.825 5.977 -14.162 602 HB2 LYS 78 2HB LYS 78 0.614 6.650 -11.818 603 HB3 LYS 78 1HB LYS 78 1.974 7.746 -11.713 604 HG2 LYS 78 2HG LYS 78 0.018 7.677 -14.042 605 HG3 LYS 78 1HG LYS 78 -0.175 8.704 -12.631 606 HD2 LYS 78 2HD LYS 78 0.773 10.211 -14.092 607 HD3 LYS 78 1HD LYS 78 2.235 9.593 -13.328 608 HE2 LYS 78 2HE LYS 78 2.479 9.789 -15.776 609 HE3 LYS 78 1HE LYS 78 2.612 8.111 -15.255 610 HZ1 LYS 78 3HZ LYS 78 0.300 7.774 -15.924 611 HZ2 LYS 78 1HZ LYS 78 1.258 8.281 -17.222 612 HZ3 LYS 78 2HZ LYS 78 0.209 9.372 -16.466 613 H LEU 79 HN LEU 79 3.732 6.104 -15.253 614 HA LEU 79 HA LEU 79 6.300 6.246 -14.122 615 HB2 LEU 79 2HB LEU 79 5.831 5.392 -16.403 616 HB3 LEU 79 1HB LEU 79 5.435 7.017 -16.934 617 HG LEU 79 HG LEU 79 7.824 7.702 -16.431 618 HD11 LEU 79 1HD1 LEU 79 9.540 5.972 -16.122 619 HD12 LEU 79 2HD1 LEU 79 8.286 4.733 -16.029 620 HD13 LEU 79 3HD1 LEU 79 8.388 5.979 -14.784 621 HD21 LEU 79 3HD2 LEU 79 7.489 5.471 -18.458 622 HD22 LEU 79 1HD2 LEU 79 8.790 6.668 -18.439 623 HD23 LEU 79 2HD2 LEU 79 7.126 7.178 -18.713 624 H ASP 80 HN ASP 80 7.721 7.899 -13.786 625 HA ASP 80 HA ASP 80 7.017 10.689 -14.296 626 HB2 ASP 80 2HB ASP 80 5.959 10.101 -12.083 627 HB3 ASP 80 1HB ASP 80 7.537 9.626 -11.469 628 H THR 81 HN THR 81 8.863 12.107 -13.997 629 HA THR 81 HA THR 81 11.009 12.756 -14.346 630 HB THR 81 HB THR 81 11.899 10.356 -12.668 631 HG1 THR 81 HG1 THR 81 10.079 11.854 -11.849 632 HG21 THR 81 3HG2 THR 81 13.657 11.855 -11.843 633 HG22 THR 81 1HG2 THR 81 13.020 13.181 -12.833 634 HG23 THR 81 2HG2 THR 81 13.735 11.765 -13.601 635 H SER 82 HN SER 82 9.890 11.379 -16.385 636 HA SER 82 HA SER 82 10.978 8.875 -17.116 637 HB2 SER 82 2HB SER 82 9.722 9.291 -19.269 638 HB3 SER 82 1HB SER 82 8.749 9.518 -17.814 639 HG SER 82 HG SER 82 8.521 11.196 -19.401 640 H HIS 83 HN HIS 83 12.203 12.061 -17.675 641 HA HIS 83 HA HIS 83 13.709 11.335 -20.082 642 HB2 HIS 83 2HB HIS 83 13.638 13.934 -18.490 643 HB3 HIS 83 1HB HIS 83 14.440 13.714 -20.048 644 HD1 HIS 83 HD1 HIS 83 11.601 15.317 -18.919 645 HD2 HIS 83 HD2 HIS 83 12.161 12.426 -21.851 646 HE1 HIS 83 HE1 HIS 83 9.599 15.491 -20.431 647 HE2 HIS 83 HE2 HIS 83 9.941 13.703 -22.171 648 H GLY 84 HN GLY 84 15.532 10.173 -19.845 649 HA2 GLY 84 2HA GLY 84 17.699 9.631 -19.278 650 HA3 GLY 84 1HA GLY 84 17.785 11.111 -18.335 651 H MET 85 HN MET 85 15.154 9.219 -17.413 652 HA MET 85 HA MET 85 16.422 7.681 -15.305 653 HB2 MET 85 2HB MET 85 16.512 9.971 -14.363 654 HB3 MET 85 1HB MET 85 14.813 10.212 -14.710 655 HG2 MET 85 2HG MET 85 14.798 9.857 -12.429 656 HG3 MET 85 1HG MET 85 14.453 8.240 -13.023 657 HE1 MET 85 3HE MET 85 15.759 6.182 -12.218 658 HE2 MET 85 1HE MET 85 17.502 6.182 -11.957 659 HE3 MET 85 2HE MET 85 16.848 6.583 -13.547 660 H ILE 86 HN ILE 86 14.920 6.161 -14.440 661 HA ILE 86 HA ILE 86 12.094 6.313 -15.364 662 HB ILE 86 HB ILE 86 13.750 3.793 -14.825 663 HG12 ILE 86 2HG1 ILE 86 14.325 4.838 -16.996 664 HG13 ILE 86 1HG1 ILE 86 13.509 3.302 -17.239 665 HG21 ILE 86 1HG2 ILE 86 11.419 3.447 -14.122 666 HG22 ILE 86 2HG2 ILE 86 11.769 2.503 -15.571 667 HG23 ILE 86 3HG2 ILE 86 10.841 3.999 -15.697 668 HD11 ILE 86 3HD1 ILE 86 11.441 4.503 -17.789 669 HD12 ILE 86 1HD1 ILE 86 12.783 4.948 -18.846 670 HD13 ILE 86 2HD1 ILE 86 12.282 6.040 -17.556 671 H ARG 87 HN ARG 87 10.703 6.658 -13.689 672 HA ARG 87 HA ARG 87 11.056 5.364 -11.113 673 HB2 ARG 87 2HB ARG 87 10.753 8.413 -11.292 674 HB3 ARG 87 1HB ARG 87 10.628 7.465 -9.814 675 HG2 ARG 87 2HG ARG 87 13.003 6.886 -9.950 676 HG3 ARG 87 1HG ARG 87 13.142 7.747 -11.486 677 HD2 ARG 87 2HD ARG 87 12.456 9.853 -10.290 678 HD3 ARG 87 1HD ARG 87 12.523 8.954 -8.768 679 HE ARG 87 HE ARG 87 14.975 8.587 -10.024 680 HH11 ARG 87 1HH1 ARG 87 13.192 11.311 -8.691 681 HH12 ARG 87 2HH1 ARG 87 14.627 12.213 -8.331 682 HH21 ARG 87 1HH2 ARG 87 16.820 9.773 -9.561 683 HH22 ARG 87 2HH2 ARG 87 16.691 11.339 -8.828 684 H THR 88 HN THR 88 9.097 4.319 -11.253 685 HA THR 88 HA THR 88 6.724 5.872 -12.130 686 HB THR 88 HB THR 88 6.811 4.085 -13.620 687 HG1 THR 88 HG1 THR 88 5.081 2.695 -13.032 688 HG21 THR 88 3HG2 THR 88 7.259 1.715 -13.049 689 HG22 THR 88 1HG2 THR 88 7.560 2.188 -11.380 690 HG23 THR 88 2HG2 THR 88 8.616 2.771 -12.660 691 H GLU 89 HN GLU 89 4.987 6.024 -10.810 692 HA GLU 89 HA GLU 89 5.345 5.274 -7.979 693 HB2 GLU 89 2HB GLU 89 3.918 7.706 -9.155 694 HB3 GLU 89 1HB GLU 89 4.070 7.334 -7.437 695 HG2 GLU 89 2HG GLU 89 6.510 7.630 -7.582 696 HG3 GLU 89 1HG GLU 89 6.374 7.961 -9.312 697 H VAL 90 HN VAL 90 3.640 4.279 -6.967 698 HA VAL 90 HA VAL 90 1.382 3.477 -8.656 699 HB VAL 90 HB VAL 90 0.838 1.841 -6.830 700 HG11 VAL 90 1HG1 VAL 90 3.652 1.645 -7.984 701 HG12 VAL 90 2HG1 VAL 90 2.154 1.172 -8.802 702 HG13 VAL 90 3HG1 VAL 90 2.694 0.293 -7.364 703 HG21 VAL 90 3HG2 VAL 90 1.906 2.976 -4.899 704 HG22 VAL 90 1HG2 VAL 90 3.501 2.710 -5.614 705 HG23 VAL 90 2HG2 VAL 90 2.521 1.333 -5.091 706 H ARG 91 HN ARG 91 -0.401 4.520 -8.546 707 HA ARG 91 HA ARG 91 -1.634 5.636 -6.251 708 HB2 ARG 91 2HB ARG 91 -1.500 8.003 -6.890 709 HB3 ARG 91 1HB ARG 91 0.117 7.360 -6.656 710 HG2 ARG 91 2HG ARG 91 -0.365 7.016 -9.420 711 HG3 ARG 91 1HG ARG 91 -1.080 8.583 -9.050 712 HD2 ARG 91 2HD ARG 91 1.775 7.750 -8.448 713 HD3 ARG 91 1HD ARG 91 1.261 8.768 -9.796 714 HE ARG 91 HE ARG 91 0.523 9.754 -7.167 715 HH11 ARG 91 1HH1 ARG 91 2.904 9.823 -9.726 716 HH12 ARG 91 2HH1 ARG 91 3.679 11.261 -9.159 717 HH21 ARG 91 1HH2 ARG 91 1.513 11.698 -6.431 718 HH22 ARG 91 2HH2 ARG 91 2.875 12.336 -7.291 719 H SER 92 HN SER 92 -3.820 5.649 -6.689 720 HA SER 92 HA SER 92 -4.733 6.219 -9.446 721 HB2 SER 92 2HB SER 92 -5.738 4.205 -8.474 722 HB3 SER 92 1HB SER 92 -6.233 5.098 -7.042 723 HG SER 92 HG SER 92 -7.941 5.698 -8.060 724 H ARG 93 HN ARG 93 -7.233 7.583 -8.539 725 HA ARG 93 HA ARG 93 -5.847 10.176 -8.343 726 HB2 ARG 93 2HB ARG 93 -8.629 9.468 -9.305 727 HB3 ARG 93 1HB ARG 93 -8.119 11.137 -9.076 728 HG2 ARG 93 2HG ARG 93 -6.906 9.127 -11.003 729 HG3 ARG 93 1HG ARG 93 -7.912 10.518 -11.420 730 HD2 ARG 93 2HD ARG 93 -5.140 10.621 -10.166 731 HD3 ARG 93 1HD ARG 93 -5.527 10.995 -11.845 732 HE ARG 93 HE ARG 93 -7.073 12.690 -10.250 733 HH11 ARG 93 1HH1 ARG 93 -3.632 12.220 -10.858 734 HH12 ARG 93 2HH1 ARG 93 -3.233 13.875 -10.525 735 HH21 ARG 93 1HH2 ARG 93 -6.523 14.832 -9.798 736 HH22 ARG 93 2HH2 ARG 93 -4.878 15.362 -9.942 737 H THR 94 HN THR 94 -8.723 8.674 -6.676 738 HA THR 94 HA THR 94 -9.417 11.250 -5.612 739 HB THR 94 HB THR 94 -10.587 8.516 -4.952 740 HG1 THR 94 HG1 THR 94 -10.773 10.155 -7.130 741 HG21 THR 94 3HG2 THR 94 -11.747 11.291 -4.507 742 HG22 THR 94 1HG2 THR 94 -11.211 10.183 -3.240 743 HG23 THR 94 2HG2 THR 94 -12.601 9.770 -4.248 744 H ALA 95 HN ALA 95 -8.672 8.225 -3.835 745 HA ALA 95 HA ALA 95 -7.599 9.826 -1.546 746 HB1 ALA 95 3HB ALA 95 -9.025 7.145 -1.449 747 HB2 ALA 95 1HB ALA 95 -9.709 8.698 -0.969 748 HB3 ALA 95 2HB ALA 95 -8.363 8.011 -0.060 749 H ASP 96 HN ASP 96 -7.025 7.611 -3.918 750 HA ASP 96 HA ASP 96 -5.179 5.830 -2.527 751 HB2 ASP 96 2HB ASP 96 -5.544 4.744 -5.069 752 HB3 ASP 96 1HB ASP 96 -6.478 4.312 -3.644 753 H SER 97 HN SER 97 -4.856 8.695 -3.990 754 HA SER 97 HA SER 97 -2.542 8.413 -5.596 755 HB2 SER 97 2HB SER 97 -2.200 10.854 -4.974 756 HB3 SER 97 1HB SER 97 -3.798 10.476 -5.612 757 HG SER 97 HG SER 97 -4.198 11.669 -3.840 758 H HIS 98 HN HIS 98 -3.037 7.951 -2.261 759 HA HIS 98 HA HIS 98 -0.406 8.733 -1.314 760 HB2 HIS 98 2HB HIS 98 -2.783 7.576 0.196 761 HB3 HIS 98 1HB HIS 98 -1.326 8.247 0.930 762 HD1 HIS 98 HD1 HIS 98 -4.637 9.208 0.472 763 HD2 HIS 98 HD2 HIS 98 -1.024 11.106 -0.336 764 HE1 HIS 98 HE1 HIS 98 -5.179 11.653 0.301 765 HE2 HIS 98 HE2 HIS 98 -3.014 12.753 -0.338 766 H LEU 99 HN LEU 99 -1.402 5.919 -2.832 767 HA LEU 99 HA LEU 99 -0.578 3.784 -1.268 768 HB2 LEU 99 2HB LEU 99 -0.055 4.067 -4.245 769 HB3 LEU 99 1HB LEU 99 -0.041 2.561 -3.352 770 HG LEU 99 HG LEU 99 -2.474 4.316 -3.854 771 HD11 LEU 99 1HD1 LEU 99 -3.282 2.492 -5.289 772 HD12 LEU 99 2HD1 LEU 99 -1.780 1.602 -5.029 773 HD13 LEU 99 3HD1 LEU 99 -1.757 3.145 -5.887 774 HD21 LEU 99 3HD2 LEU 99 -2.677 3.221 -1.687 775 HD22 LEU 99 1HD2 LEU 99 -2.310 1.657 -2.420 776 HD23 LEU 99 2HD2 LEU 99 -3.798 2.508 -2.845 777 H GLY 100 HN GLY 100 1.664 5.191 -3.758 778 HA2 GLY 100 2HA GLY 100 3.789 5.949 -2.231 779 HA3 GLY 100 1HA GLY 100 3.984 4.202 -2.294 780 H HIS 101 HN HIS 101 6.008 4.727 -3.260 781 HA HIS 101 HA HIS 101 5.966 5.331 -6.172 782 HB2 HIS 101 2HB HIS 101 8.224 5.563 -4.123 783 HB3 HIS 101 1HB HIS 101 8.462 5.724 -5.862 784 HD1 HIS 101 HD1 HIS 101 9.153 8.092 -5.959 785 HD2 HIS 101 HD2 HIS 101 5.620 7.605 -3.828 786 HE1 HIS 101 HE1 HIS 101 8.320 10.405 -5.494 787 HE2 HIS 101 HE2 HIS 101 6.061 10.069 -4.452 788 H VAL 102 HN VAL 102 7.487 3.999 -7.478 789 HA VAL 102 HA VAL 102 8.621 1.640 -6.178 790 HB VAL 102 HB VAL 102 7.852 -0.011 -7.772 791 HG11 VAL 102 1HG1 VAL 102 5.432 -0.099 -7.360 792 HG12 VAL 102 2HG1 VAL 102 5.445 1.596 -6.864 793 HG13 VAL 102 3HG1 VAL 102 6.310 0.390 -5.912 794 HG21 VAL 102 3HG2 VAL 102 7.787 1.309 -9.807 795 HG22 VAL 102 1HG2 VAL 102 6.374 2.203 -9.230 796 HG23 VAL 102 2HG2 VAL 102 6.253 0.478 -9.582 797 H PHE 103 HN PHE 103 10.480 0.801 -7.145 798 HA PHE 103 HA PHE 103 11.514 2.081 -9.603 799 HB2 PHE 103 2HB PHE 103 12.401 3.266 -7.517 800 HB3 PHE 103 1HB PHE 103 13.171 1.759 -7.050 801 HD1 PHE 103 HD2 PHE 103 13.237 4.571 -9.436 802 HD2 PHE 103 HD1 PHE 103 15.191 0.964 -8.234 803 HE1 PHE 103 HE2 PHE 103 15.186 5.160 -10.799 804 HE2 PHE 103 HE1 PHE 103 17.135 1.562 -9.609 805 HZ PHE 103 HZ PHE 103 17.135 3.662 -10.895 806 H ASN 104 HN ASN 104 13.071 0.734 -10.727 807 HA ASN 104 HA ASN 104 12.629 -2.099 -10.321 808 HB2 ASN 104 2HB ASN 104 13.984 -0.550 -12.561 809 HB3 ASN 104 1HB ASN 104 13.979 -2.308 -12.509 810 HD21 ASN 104 1HD2 ASN 104 12.043 0.537 -13.048 811 HD22 ASN 104 2HD2 ASN 104 10.654 -0.284 -13.651 812 H ASP 105 HN ASP 105 13.923 -1.472 -8.181 813 HA ASP 105 HA ASP 105 16.610 -2.660 -8.493 814 HB2 ASP 105 2HB ASP 105 16.591 -0.214 -7.710 815 HB3 ASP 105 1HB ASP 105 15.758 -0.755 -6.259 816 H GLY 106 HN GLY 106 13.435 -3.074 -7.424 817 HA2 GLY 106 2HA GLY 106 14.211 -4.875 -5.163 818 HA3 GLY 106 1HA GLY 106 12.783 -3.861 -5.159 819 HA PRO 107 HA PRO 107 11.658 -8.198 -6.743 820 HB2 PRO 107 2HB PRO 107 10.188 -8.578 -4.197 821 HB3 PRO 107 1HB PRO 107 11.441 -9.596 -4.920 822 HG2 PRO 107 2HG PRO 107 11.901 -8.135 -2.672 823 HG3 PRO 107 1HG PRO 107 13.177 -8.441 -3.873 824 HD2 PRO 107 2HD PRO 107 11.449 -5.970 -3.535 825 HD3 PRO 107 1HD PRO 107 13.216 -6.092 -3.748 826 H GLY 108 HN GLY 108 9.574 -8.612 -7.697 827 HA2 GLY 108 2HA GLY 108 7.279 -7.126 -7.441 828 HA3 GLY 108 1HA GLY 108 8.361 -6.128 -8.418 829 HA PRO 109 HA PRO 109 6.307 -9.611 -11.040 830 HB2 PRO 109 2HB PRO 109 4.190 -8.325 -12.185 831 HB3 PRO 109 1HB PRO 109 4.063 -9.132 -10.617 832 HG2 PRO 109 2HG PRO 109 4.457 -6.194 -11.205 833 HG3 PRO 109 1HG PRO 109 3.362 -6.960 -10.034 834 HD2 PRO 109 2HD PRO 109 5.782 -5.896 -9.310 835 HD3 PRO 109 1HD PRO 109 5.051 -7.275 -8.461 836 H ASN 110 HN ASN 110 7.023 -6.245 -11.510 837 HA ASN 110 HA ASN 110 7.926 -6.645 -14.302 838 HB2 ASN 110 2HB ASN 110 6.319 -4.786 -13.938 839 HB3 ASN 110 1HB ASN 110 7.374 -4.086 -12.729 840 HD21 ASN 110 1HD2 ASN 110 9.246 -2.986 -13.407 841 HD22 ASN 110 2HD2 ASN 110 9.473 -2.489 -15.039 842 H GLY 111 HN GLY 111 9.067 -6.941 -11.239 843 HA2 GLY 111 2HA GLY 111 11.180 -6.932 -10.311 844 HA3 GLY 111 1HA GLY 111 11.817 -6.178 -11.769 845 H LEU 112 HN LEU 112 9.213 -5.125 -9.609 846 HA LEU 112 HA LEU 112 10.402 -2.412 -9.498 847 HB2 LEU 112 2HB LEU 112 7.545 -3.386 -9.108 848 HB3 LEU 112 1HB LEU 112 8.048 -1.732 -8.785 849 HG LEU 112 HG LEU 112 8.201 -3.080 -11.512 850 HD11 LEU 112 1HD1 LEU 112 5.885 -2.770 -10.879 851 HD12 LEU 112 2HD1 LEU 112 6.325 -1.620 -12.140 852 HD13 LEU 112 3HD1 LEU 112 6.188 -1.080 -10.463 853 HD21 LEU 112 3HD2 LEU 112 9.909 -1.347 -11.234 854 HD22 LEU 112 1HD2 LEU 112 8.680 -0.185 -10.725 855 HD23 LEU 112 2HD2 LEU 112 8.672 -0.824 -12.374 856 H ARG 113 HN ARG 113 10.260 -1.241 -7.468 857 HA ARG 113 HA ARG 113 10.371 -2.980 -5.043 858 HB2 ARG 113 2HB ARG 113 12.568 -1.850 -5.515 859 HB3 ARG 113 1HB ARG 113 11.757 -0.287 -5.557 860 HG2 ARG 113 2HG ARG 113 11.015 -0.934 -3.088 861 HG3 ARG 113 1HG ARG 113 12.382 -2.043 -3.176 862 HD2 ARG 113 2HD ARG 113 12.579 0.947 -3.672 863 HD3 ARG 113 1HD ARG 113 12.859 0.187 -2.107 864 HE ARG 113 HE ARG 113 14.555 -1.091 -3.863 865 HH11 ARG 113 1HH1 ARG 113 14.108 2.270 -2.886 866 HH12 ARG 113 2HH1 ARG 113 15.802 2.634 -2.964 867 HH21 ARG 113 1HH2 ARG 113 16.773 -0.582 -3.927 868 HH22 ARG 113 2HH2 ARG 113 17.302 1.025 -3.538 869 H TYR 114 HN TYR 114 8.339 -2.784 -4.228 870 HA TYR 114 HA TYR 114 6.783 -0.388 -4.612 871 HB2 TYR 114 2HB TYR 114 6.183 -3.003 -3.160 872 HB3 TYR 114 1HB TYR 114 5.023 -1.676 -3.302 873 HD1 TYR 114 HD2 TYR 114 6.978 -4.174 -5.270 874 HD2 TYR 114 HD1 TYR 114 3.836 -1.270 -5.378 875 HE1 TYR 114 HE2 TYR 114 6.378 -4.901 -7.539 876 HE2 TYR 114 HE1 TYR 114 3.236 -1.995 -7.647 877 HH TYR 114 HH TYR 114 4.206 -3.127 -9.534 878 H CYS 115 HN CYS 115 7.744 1.241 -3.579 879 HA CYS 115 HA CYS 115 8.418 1.089 -0.735 880 HB2 CYS 115 2HB CYS 115 9.946 2.304 -2.256 881 HB3 CYS 115 1HB CYS 115 8.631 3.345 -2.794 882 HG CYS 115 HG CYS 115 10.327 3.374 0.137 883 H ILE 116 HN ILE 116 6.367 0.767 0.172 884 HA ILE 116 HA ILE 116 4.277 2.785 -0.318 885 HB ILE 116 HB ILE 116 3.955 -0.011 0.909 886 HG12 ILE 116 2HG1 ILE 116 4.843 -0.288 -1.395 887 HG13 ILE 116 1HG1 ILE 116 3.175 -0.837 -1.293 888 HG21 ILE 116 1HG2 ILE 116 1.917 1.871 -0.346 889 HG22 ILE 116 2HG2 ILE 116 2.129 1.571 1.379 890 HG23 ILE 116 3HG2 ILE 116 1.571 0.271 0.326 891 HD11 ILE 116 3HD1 ILE 116 3.586 0.350 -3.350 892 HD12 ILE 116 1HD1 ILE 116 4.133 1.772 -2.467 893 HD13 ILE 116 2HD1 ILE 116 2.444 1.257 -2.356 894 H ASN 117 HN ASN 117 3.845 4.127 1.416 895 HA ASN 117 HA ASN 117 5.804 4.045 3.528 896 HB2 ASN 117 2HB ASN 117 3.732 6.076 2.656 897 HB3 ASN 117 1HB ASN 117 4.749 6.308 4.068 898 HD21 ASN 117 1HD2 ASN 117 5.986 4.780 1.119 899 HD22 ASN 117 2HD2 ASN 117 7.025 6.074 0.682 900 H SER 118 HN SER 118 5.486 3.317 5.499 901 HA SER 118 HA SER 118 3.421 1.609 6.143 902 HB2 SER 118 2HB SER 118 4.490 1.720 8.498 903 HB3 SER 118 1HB SER 118 5.540 1.273 7.149 904 HG SER 118 HG SER 118 6.269 2.973 8.708 905 H ALA 119 HN ALA 119 3.734 5.015 7.059 906 HA ALA 119 HA ALA 119 1.768 5.227 9.040 907 HB1 ALA 119 3HB ALA 119 1.700 7.623 8.512 908 HB2 ALA 119 1HB ALA 119 2.509 7.320 6.969 909 HB3 ALA 119 2HB ALA 119 3.361 7.030 8.485 910 H ALA 120 HN ALA 120 1.442 5.105 5.539 911 HA ALA 120 HA ALA 120 -1.342 5.898 5.463 912 HB1 ALA 120 3HB ALA 120 0.208 6.496 3.650 913 HB2 ALA 120 1HB ALA 120 -1.150 5.542 3.049 914 HB3 ALA 120 2HB ALA 120 0.432 4.787 3.270 915 H LEU 121 HN LEU 121 -0.085 3.079 6.579 916 HA LEU 121 HA LEU 121 -1.836 1.276 5.003 917 HB2 LEU 121 2HB LEU 121 0.792 0.625 6.383 918 HB3 LEU 121 1HB LEU 121 -0.175 -0.484 5.413 919 HG LEU 121 HG LEU 121 1.288 1.987 4.416 920 HD11 LEU 121 1HD1 LEU 121 2.636 0.420 3.107 921 HD12 LEU 121 2HD1 LEU 121 1.789 -0.943 3.843 922 HD13 LEU 121 3HD1 LEU 121 2.786 0.122 4.839 923 HD21 LEU 121 3HD2 LEU 121 0.478 1.404 2.176 924 HD22 LEU 121 1HD2 LEU 121 -0.857 1.773 3.259 925 HD23 LEU 121 2HD2 LEU 121 -0.494 0.100 2.846 926 H ARG 122 HN ARG 122 -2.436 -0.714 6.040 927 HA ARG 122 HA ARG 122 -2.801 -0.790 8.924 928 HB2 ARG 122 2HB ARG 122 -4.681 0.621 8.256 929 HB3 ARG 122 1HB ARG 122 -5.128 -0.493 6.972 930 HG2 ARG 122 2HG ARG 122 -5.686 -2.208 8.718 931 HG3 ARG 122 1HG ARG 122 -5.343 -1.005 9.967 932 HD2 ARG 122 2HD ARG 122 -7.162 0.410 9.133 933 HD3 ARG 122 1HD ARG 122 -7.447 -0.705 7.791 934 HE ARG 122 HE ARG 122 -7.710 -1.755 10.514 935 HH11 ARG 122 1HH1 ARG 122 -9.350 -0.684 7.588 936 HH12 ARG 122 2HH1 ARG 122 -10.864 -1.384 8.045 937 HH21 ARG 122 1HH2 ARG 122 -9.717 -2.641 11.090 938 HH22 ARG 122 2HH2 ARG 122 -11.068 -2.490 10.026 939 H PHE 123 HN PHE 123 -2.119 -2.817 9.250 940 HA PHE 123 HA PHE 123 -2.551 -5.064 7.544 941 HB2 PHE 123 2HB PHE 123 -1.639 -6.401 9.377 942 HB3 PHE 123 1HB PHE 123 -0.699 -4.915 9.291 943 HD1 PHE 123 HD1 PHE 123 -1.254 -3.023 10.971 944 HD2 PHE 123 HD2 PHE 123 -2.756 -7.002 11.421 945 HE1 PHE 123 HE1 PHE 123 -1.804 -2.566 13.318 946 HE2 PHE 123 HE2 PHE 123 -3.283 -6.528 13.766 947 HZ PHE 123 HZ PHE 123 -2.813 -4.313 14.713 948 H VAL 124 HN VAL 124 -4.305 -6.483 7.568 949 HA VAL 124 HA VAL 124 -6.332 -6.213 9.706 950 HB VAL 124 HB VAL 124 -7.140 -6.696 6.799 951 HG11 VAL 124 1HG1 VAL 124 -8.751 -5.849 9.252 952 HG12 VAL 124 2HG1 VAL 124 -8.759 -7.454 8.516 953 HG13 VAL 124 3HG1 VAL 124 -9.409 -6.073 7.628 954 HG21 VAL 124 3HG2 VAL 124 -7.859 -4.332 6.634 955 HG22 VAL 124 1HG2 VAL 124 -6.109 -4.439 6.884 956 HG23 VAL 124 2HG2 VAL 124 -7.170 -4.001 8.225 957 HA PRO 125 HA PRO 125 -4.945 -10.610 9.720 958 HB2 PRO 125 2HB PRO 125 -6.308 -11.261 12.051 959 HB3 PRO 125 1HB PRO 125 -4.726 -10.477 12.022 960 HG2 PRO 125 2HG PRO 125 -7.451 -9.218 12.322 961 HG3 PRO 125 1HG PRO 125 -5.975 -8.914 13.267 962 HD2 PRO 125 2HD PRO 125 -6.707 -7.234 11.312 963 HD3 PRO 125 1HD PRO 125 -4.989 -7.635 11.550 964 H LYS 126 HN LYS 126 -6.022 -12.668 9.371 965 HA LYS 126 HA LYS 126 -8.238 -12.484 7.659 966 HB2 LYS 126 2HB LYS 126 -8.188 -14.904 7.398 967 HB3 LYS 126 1HB LYS 126 -6.564 -14.248 7.351 968 HG2 LYS 126 2HG LYS 126 -7.684 -15.490 9.876 969 HG3 LYS 126 1HG LYS 126 -6.975 -16.479 8.599 970 HD2 LYS 126 2HD LYS 126 -4.845 -15.158 8.834 971 HD3 LYS 126 1HD LYS 126 -5.568 -14.296 10.195 972 HE2 LYS 126 2HE LYS 126 -5.003 -17.279 10.044 973 HE3 LYS 126 1HE LYS 126 -4.107 -16.092 10.990 974 HZ1 LYS 126 3HZ LYS 126 -5.615 -17.259 12.409 975 HZ2 LYS 126 1HZ LYS 126 -6.929 -16.925 11.399 976 HZ3 LYS 126 2HZ LYS 126 -6.176 -15.672 12.253 977 H HIS 127 HN HIS 127 -8.241 -12.887 11.070 978 HA HIS 127 HA HIS 127 -10.942 -13.925 11.285 979 HB2 HIS 127 2HB HIS 127 -9.161 -14.248 13.057 980 HB3 HIS 127 1HB HIS 127 -9.289 -12.539 13.443 981 HD1 HIS 127 HD1 HIS 127 -11.412 -11.776 14.742 982 HD2 HIS 127 HD2 HIS 127 -11.255 -15.859 14.013 983 HE1 HIS 127 HE1 HIS 127 -13.174 -12.780 16.207 984 HE2 HIS 127 HE2 HIS 127 -13.237 -15.203 15.534 985 H LYS 128 HN LYS 128 -9.437 -10.756 11.041 986 HA LYS 128 HA LYS 128 -11.906 -9.291 11.634 987 HB2 LYS 128 2HB LYS 128 -9.049 -8.484 11.076 988 HB3 LYS 128 1HB LYS 128 -10.319 -7.303 10.781 989 HG2 LYS 128 2HG LYS 128 -9.785 -8.674 13.433 990 HG3 LYS 128 1HG LYS 128 -9.300 -7.031 13.000 991 HD2 LYS 128 2HD LYS 128 -11.617 -6.307 12.846 992 HD3 LYS 128 1HD LYS 128 -12.204 -7.963 13.009 993 HE2 LYS 128 2HE LYS 128 -11.236 -8.002 15.331 994 HE3 LYS 128 1HE LYS 128 -10.842 -6.289 15.145 995 HZ1 LYS 128 3HZ LYS 128 -13.121 -5.763 14.935 996 HZ2 LYS 128 1HZ LYS 128 -12.967 -6.749 16.296 997 HZ3 LYS 128 2HZ LYS 128 -13.577 -7.385 14.852 998 H LEU 129 HN LEU 129 -10.153 -10.559 8.951 999 HA LEU 129 HA LEU 129 -11.203 -8.927 6.870 1000 HB2 LEU 129 2HB LEU 129 -9.977 -11.692 6.883 1001 HB3 LEU 129 1HB LEU 129 -10.484 -10.888 5.407 1002 HG LEU 129 HG LEU 129 -8.352 -9.855 7.302 1003 HD11 LEU 129 1HD1 LEU 129 -8.100 -11.172 4.595 1004 HD12 LEU 129 2HD1 LEU 129 -7.621 -11.855 6.148 1005 HD13 LEU 129 3HD1 LEU 129 -6.773 -10.444 5.514 1006 HD21 LEU 129 3HD2 LEU 129 -9.531 -8.040 6.197 1007 HD22 LEU 129 1HD2 LEU 129 -9.264 -8.791 4.617 1008 HD23 LEU 129 2HD2 LEU 129 -7.896 -8.194 5.563 1009 H LYS 130 HN LYS 130 -12.317 -11.919 8.421 1010 HA LYS 130 HA LYS 130 -14.377 -12.624 6.642 1011 HB2 LYS 130 2HB LYS 130 -13.560 -14.169 8.343 1012 HB3 LYS 130 1HB LYS 130 -13.999 -13.058 9.637 1013 HG2 LYS 130 2HG LYS 130 -16.366 -13.408 9.207 1014 HG3 LYS 130 1HG LYS 130 -16.004 -14.395 7.789 1015 HD2 LYS 130 2HD LYS 130 -15.235 -15.111 10.647 1016 HD3 LYS 130 1HD LYS 130 -16.649 -15.735 9.792 1017 HE2 LYS 130 2HE LYS 130 -13.758 -16.149 8.948 1018 HE3 LYS 130 1HE LYS 130 -14.773 -17.344 9.751 1019 HZ1 LYS 130 3HZ LYS 130 -16.246 -17.336 7.848 1020 HZ2 LYS 130 1HZ LYS 130 -14.668 -17.707 7.368 1021 HZ3 LYS 130 2HZ LYS 130 -15.306 -16.171 7.073 1022 H GLU 131 HN GLU 131 -14.227 -10.503 9.457 1023 HA GLU 131 HA GLU 131 -16.948 -9.692 9.576 1024 HB2 GLU 131 2HB GLU 131 -15.343 -9.557 11.471 1025 HB3 GLU 131 1HB GLU 131 -14.385 -8.374 10.589 1026 HG2 GLU 131 2HG GLU 131 -16.421 -6.843 10.662 1027 HG3 GLU 131 1HG GLU 131 -17.161 -8.012 11.756 1028 H GLU 132 HN GLU 132 -14.104 -8.605 7.877 1029 HA GLU 132 HA GLU 132 -15.031 -6.064 6.958 1030 HB2 GLU 132 2HB GLU 132 -12.620 -6.922 7.399 1031 HB3 GLU 132 1HB GLU 132 -12.718 -7.730 5.848 1032 HG2 GLU 132 2HG GLU 132 -13.136 -4.739 6.082 1033 HG3 GLU 132 1HG GLU 132 -11.515 -5.424 6.049 1034 H GLY 133 HN GLY 133 -15.898 -9.256 6.018 1035 HA2 GLY 133 2HA GLY 133 -17.639 -9.520 4.402 1036 HA3 GLY 133 1HA GLY 133 -16.860 -8.335 3.368 1037 H TYR 134 HN TYR 134 -14.390 -10.075 4.506 1038 HA TYR 134 HA TYR 134 -12.961 -11.603 3.855 1039 HB2 TYR 134 2HB TYR 134 -13.647 -13.899 3.775 1040 HB3 TYR 134 1HB TYR 134 -14.581 -13.054 4.984 1041 HD1 TYR 134 HD1 TYR 134 -14.744 -14.698 1.651 1042 HD2 TYR 134 HD2 TYR 134 -17.006 -12.991 4.856 1043 HE1 TYR 134 HE1 TYR 134 -16.799 -15.683 0.734 1044 HE2 TYR 134 HE2 TYR 134 -19.051 -13.972 3.928 1045 HH TYR 134 HH TYR 134 -19.895 -14.748 1.744 1046 H GLU 135 HN GLU 135 -14.794 -10.406 1.358 1047 HA GLU 135 HA GLU 135 -14.020 -12.061 -0.812 1048 HB2 GLU 135 2HB GLU 135 -15.924 -10.448 -0.893 1049 HB3 GLU 135 1HB GLU 135 -14.774 -9.116 -0.896 1050 HG2 GLU 135 2HG GLU 135 -13.864 -9.954 -3.057 1051 HG3 GLU 135 1HG GLU 135 -15.080 -11.232 -3.051 1052 H SER 136 HN SER 136 -12.267 -9.831 1.036 1053 HA SER 136 HA SER 136 -10.659 -8.584 -0.969 1054 HB2 SER 136 2HB SER 136 -9.514 -7.643 1.084 1055 HB3 SER 136 1HB SER 136 -11.263 -7.412 1.065 1056 HG SER 136 HG SER 136 -10.700 -8.165 3.071 1057 H TYR 137 HN TYR 137 -9.969 -10.951 1.585 1058 HA TYR 137 HA TYR 137 -7.549 -11.896 0.119 1059 HB2 TYR 137 2HB TYR 137 -7.039 -11.192 2.386 1060 HB3 TYR 137 1HB TYR 137 -8.354 -12.137 3.047 1061 HD1 TYR 137 HD2 TYR 137 -4.934 -12.326 1.600 1062 HD2 TYR 137 HD1 TYR 137 -8.059 -14.509 3.531 1063 HE1 TYR 137 HE2 TYR 137 -3.391 -14.193 2.009 1064 HE2 TYR 137 HE1 TYR 137 -6.518 -16.362 3.946 1065 HH TYR 137 HH TYR 137 -4.407 -17.258 2.957 1066 H LEU 138 HN LEU 138 -10.512 -13.037 1.768 1067 HA LEU 138 HA LEU 138 -9.607 -15.760 1.718 1068 HB2 LEU 138 2HB LEU 138 -12.289 -14.597 2.575 1069 HB3 LEU 138 1HB LEU 138 -11.786 -16.259 2.830 1070 HG LEU 138 HG LEU 138 -9.934 -15.423 4.343 1071 HD11 LEU 138 1HD1 LEU 138 -10.000 -13.143 5.228 1072 HD12 LEU 138 2HD1 LEU 138 -11.278 -12.717 4.089 1073 HD13 LEU 138 3HD1 LEU 138 -9.672 -13.132 3.497 1074 HD21 LEU 138 3HD2 LEU 138 -12.056 -16.194 5.321 1075 HD22 LEU 138 1HD2 LEU 138 -12.710 -14.554 5.190 1076 HD23 LEU 138 2HD2 LEU 138 -11.345 -14.884 6.264 1077 H HIS 139 HN HIS 139 -11.728 -13.761 -0.260 1078 HA HIS 139 HA HIS 139 -12.542 -16.004 -1.941 1079 HB2 HIS 139 2HB HIS 139 -14.087 -14.093 -1.476 1080 HB3 HIS 139 1HB HIS 139 -13.010 -13.033 -2.371 1081 HD1 HIS 139 HD1 HIS 139 -13.203 -13.059 -4.920 1082 HD2 HIS 139 HD2 HIS 139 -15.521 -15.979 -3.092 1083 HE1 HIS 139 HE1 HIS 139 -14.688 -13.968 -6.726 1084 HE2 HIS 139 HE2 HIS 139 -16.207 -15.601 -5.552 1085 H LEU 140 HN LEU 140 -10.544 -13.021 -2.372 1086 HA LEU 140 HA LEU 140 -9.772 -13.471 -5.053 1087 HB2 LEU 140 2HB LEU 140 -8.294 -11.925 -2.891 1088 HB3 LEU 140 1HB LEU 140 -7.829 -11.909 -4.586 1089 HG LEU 140 HG LEU 140 -10.383 -10.776 -3.388 1090 HD11 LEU 140 1HD1 LEU 140 -9.518 -8.626 -4.166 1091 HD12 LEU 140 2HD1 LEU 140 -8.056 -9.410 -4.770 1092 HD13 LEU 140 3HD1 LEU 140 -8.400 -9.394 -3.037 1093 HD21 LEU 140 3HD2 LEU 140 -10.940 -11.778 -5.536 1094 HD22 LEU 140 1HD2 LEU 140 -9.596 -10.936 -6.313 1095 HD23 LEU 140 2HD2 LEU 140 -10.962 -10.023 -5.664 1096 H PHE 141 HN PHE 141 -8.002 -14.211 -2.110 1097 HA PHE 141 HA PHE 141 -5.817 -15.569 -3.458 1098 HB2 PHE 141 2HB PHE 141 -5.483 -14.166 -1.392 1099 HB3 PHE 141 1HB PHE 141 -6.378 -15.358 -0.466 1100 HD1 PHE 141 HD1 PHE 141 -3.260 -14.841 -2.464 1101 HD2 PHE 141 HD2 PHE 141 -5.262 -17.303 0.415 1102 HE1 PHE 141 HE1 PHE 141 -1.174 -16.077 -2.054 1103 HE2 PHE 141 HE2 PHE 141 -3.173 -18.528 0.811 1104 HZ PHE 141 HZ PHE 141 -1.132 -17.921 -0.422 1105 H ASN 142 HN ASN 142 -8.953 -16.544 -2.542 1106 HA ASN 142 HA ASN 142 -8.447 -19.295 -1.942 1107 HB2 ASN 142 2HB ASN 142 -10.660 -18.242 -1.458 1108 HB3 ASN 142 1HB ASN 142 -10.972 -18.095 -3.179 1109 HD21 ASN 142 1HD2 ASN 142 -11.450 -20.002 -4.373 1110 HD22 ASN 142 2HD2 ASN 142 -11.910 -21.475 -3.594 1111 H LYS 143 HN LYS 143 -6.897 -19.932 -3.367 1112 HA LYS 143 HA LYS 143 -7.269 -19.986 -6.233 1113 HB2 LYS 143 2HB LYS 143 -5.015 -19.787 -5.201 1114 HB3 LYS 143 1HB LYS 143 -5.229 -21.346 -4.410 1115 HG2 LYS 143 2HG LYS 143 -5.389 -22.388 -6.722 1116 HG3 LYS 143 1HG LYS 143 -4.950 -20.810 -7.386 1117 HD2 LYS 143 2HD LYS 143 -2.976 -22.239 -7.226 1118 HD3 LYS 143 1HD LYS 143 -2.823 -20.873 -6.117 1119 HE2 LYS 143 2HE LYS 143 -3.546 -22.359 -4.243 1120 HE3 LYS 143 1HE LYS 143 -3.623 -23.716 -5.367 1121 HZ1 LYS 143 3HZ LYS 143 -1.582 -23.722 -4.137 1122 HZ2 LYS 143 1HZ LYS 143 -1.208 -22.159 -4.653 1123 HZ3 LYS 143 2HZ LYS 143 -1.250 -23.430 -5.766 1124 H LEU 144 HN LEU 144 -8.742 -21.370 -7.040 1125 HA LEU 144 HA LEU 144 -9.914 -23.552 -5.656 1126 HB2 LEU 144 2HB LEU 144 -10.025 -22.670 -8.568 1127 HB3 LEU 144 1HB LEU 144 -10.879 -24.092 -8.008 1128 HG LEU 144 HG LEU 144 -12.433 -22.254 -8.176 1129 HD11 LEU 144 1HD1 LEU 144 -12.786 -23.849 -6.365 1130 HD12 LEU 144 2HD1 LEU 144 -13.404 -22.248 -5.965 1131 HD13 LEU 144 3HD1 LEU 144 -11.885 -22.807 -5.257 1132 HD21 LEU 144 3HD2 LEU 144 -10.888 -20.361 -7.988 1133 HD22 LEU 144 1HD2 LEU 144 -10.679 -20.679 -6.261 1134 HD23 LEU 144 2HD2 LEU 144 -12.255 -20.179 -6.890 1135 H GLU 145 HN GLU 145 -9.791 -25.783 -6.076 1136 HA GLU 145 HA GLU 145 -7.356 -26.926 -7.089 1137 HB2 GLU 145 2HB GLU 145 -10.036 -28.215 -6.392 1138 HB3 GLU 145 1HB GLU 145 -8.567 -29.105 -6.778 1139 HG2 GLU 145 2HG GLU 145 -8.941 -27.265 -4.392 1140 HG3 GLU 145 1HG GLU 145 -9.022 -29.025 -4.358 1141 H HIS 146 HN HIS 146 -7.359 -25.855 -9.147 1142 HA HIS 146 HA HIS 146 -9.418 -26.494 -11.104 1143 HB2 HIS 146 2HB HIS 146 -8.332 -24.221 -11.018 1144 HB3 HIS 146 1HB HIS 146 -6.812 -24.954 -11.519 1145 HD1 HIS 146 HD1 HIS 146 -6.616 -25.682 -14.001 1146 HD2 HIS 146 HD2 HIS 146 -10.278 -23.975 -13.057 1147 HE1 HIS 146 HE1 HIS 146 -7.752 -25.283 -16.195 1148 HE2 HIS 146 HE2 HIS 146 -9.861 -24.051 -15.604 1149 H HIS 147 HN HIS 147 -9.362 -28.198 -12.374 1150 HA HIS 147 HA HIS 147 -7.241 -30.090 -12.505 1151 HB2 HIS 147 2HB HIS 147 -9.529 -30.857 -12.765 1152 HB3 HIS 147 1HB HIS 147 -9.805 -29.766 -14.117 1153 HD1 HIS 147 HD1 HIS 147 -7.815 -32.899 -13.271 1154 HD2 HIS 147 HD2 HIS 147 -9.299 -30.866 -16.581 1155 HE1 HIS 147 HE1 HIS 147 -7.449 -34.432 -15.227 1156 HE2 HIS 147 HE2 HIS 147 -8.181 -33.105 -17.238 Start of MODEL 14 1 H1 MET 1 1H MET 1 -10.295 4.252 19.662 2 H2 MET 1 2H MET 1 -11.648 4.678 20.577 3 H3 MET 1 3H MET 1 -10.112 5.194 21.053 4 HA MET 1 HA MET 1 -11.358 6.976 20.041 5 HB2 MET 1 2HB MET 1 -9.060 6.037 18.260 6 HB3 MET 1 1HB MET 1 -9.657 7.687 18.396 7 HG2 MET 1 2HG MET 1 -7.619 7.524 19.645 8 HG3 MET 1 1HG MET 1 -8.942 7.679 20.802 9 HE1 MET 1 3HE MET 1 -6.333 5.225 19.149 10 HE2 MET 1 1HE MET 1 -7.854 4.415 18.770 11 HE3 MET 1 2HE MET 1 -6.734 3.694 19.926 12 H ALA 2 HN ALA 2 -13.385 6.663 19.196 13 HA ALA 2 HA ALA 2 -13.815 5.099 16.768 14 HB1 ALA 2 3HB ALA 2 -15.787 6.662 18.485 15 HB2 ALA 2 1HB ALA 2 -15.447 4.931 18.604 16 HB3 ALA 2 2HB ALA 2 -16.211 5.583 17.153 17 H TYR 3 HN TYR 3 -12.875 6.208 15.082 18 HA TYR 3 HA TYR 3 -13.637 8.986 14.464 19 HB2 TYR 3 2HB TYR 3 -11.703 7.007 13.178 20 HB3 TYR 3 1HB TYR 3 -12.147 8.512 12.391 21 HD1 TYR 3 HD1 TYR 3 -11.051 7.623 15.916 22 HD2 TYR 3 HD2 TYR 3 -10.385 10.023 12.438 23 HE1 TYR 3 HE1 TYR 3 -9.165 8.746 17.027 24 HE2 TYR 3 HE2 TYR 3 -8.516 11.144 13.560 25 HH TYR 3 HH TYR 3 -7.240 10.018 16.578 26 H ASN 4 HN ASN 4 -15.260 9.430 13.039 27 HA ASN 4 HA ASN 4 -16.551 7.356 11.458 28 HB2 ASN 4 2HB ASN 4 -18.043 9.130 10.641 29 HB3 ASN 4 1HB ASN 4 -17.928 9.223 12.389 30 HD21 ASN 4 1HD2 ASN 4 -16.980 11.038 13.329 31 HD22 ASN 4 2HD2 ASN 4 -16.570 12.454 12.431 32 H LYS 5 HN LYS 5 -16.892 8.009 8.994 33 HA LYS 5 HA LYS 5 -14.489 7.483 7.696 34 HB2 LYS 5 2HB LYS 5 -17.184 8.411 6.684 35 HB3 LYS 5 1HB LYS 5 -15.845 8.275 5.556 36 HG2 LYS 5 2HG LYS 5 -17.258 6.271 5.511 37 HG3 LYS 5 1HG LYS 5 -15.617 5.891 6.034 38 HD2 LYS 5 2HD LYS 5 -16.401 5.835 8.394 39 HD3 LYS 5 1HD LYS 5 -18.042 6.195 7.852 40 HE2 LYS 5 2HE LYS 5 -16.461 3.717 7.074 41 HE3 LYS 5 1HE LYS 5 -17.691 3.780 8.337 42 HZ1 LYS 5 3HZ LYS 5 -18.630 2.928 6.312 43 HZ2 LYS 5 1HZ LYS 5 -18.138 4.297 5.447 44 HZ3 LYS 5 2HZ LYS 5 -19.316 4.434 6.651 45 H GLU 6 HN GLU 6 -16.202 10.596 7.752 46 HA GLU 6 HA GLU 6 -14.330 12.124 6.287 47 HB2 GLU 6 2HB GLU 6 -16.679 12.844 6.743 48 HB3 GLU 6 1HB GLU 6 -16.277 13.060 8.442 49 HG2 GLU 6 2HG GLU 6 -14.605 14.824 7.746 50 HG3 GLU 6 1HG GLU 6 -15.212 14.657 6.096 51 H GLU 7 HN GLU 7 -14.777 11.709 9.795 52 HA GLU 7 HA GLU 7 -12.733 13.331 10.776 53 HB2 GLU 7 2HB GLU 7 -14.622 12.219 12.062 54 HB3 GLU 7 1HB GLU 7 -13.699 10.726 12.022 55 HG2 GLU 7 2HG GLU 7 -13.381 11.739 14.159 56 HG3 GLU 7 1HG GLU 7 -11.866 11.881 13.268 57 H LYS 8 HN LYS 8 -12.590 9.976 9.632 58 HA LYS 8 HA LYS 8 -9.927 9.315 10.426 59 HB2 LYS 8 2HB LYS 8 -11.682 8.212 8.175 60 HB3 LYS 8 1HB LYS 8 -10.073 7.581 8.531 61 HG2 LYS 8 2HG LYS 8 -10.788 6.957 10.781 62 HG3 LYS 8 1HG LYS 8 -12.398 7.620 10.476 63 HD2 LYS 8 2HD LYS 8 -12.763 5.937 8.713 64 HD3 LYS 8 1HD LYS 8 -11.131 5.305 8.964 65 HE2 LYS 8 2HE LYS 8 -13.381 5.272 11.013 66 HE3 LYS 8 1HE LYS 8 -12.791 3.891 10.087 67 HZ1 LYS 8 3HZ LYS 8 -11.203 5.451 12.061 68 HZ2 LYS 8 1HZ LYS 8 -10.637 4.144 11.156 69 HZ3 LYS 8 2HZ LYS 8 -11.851 3.906 12.306 70 H ILE 9 HN ILE 9 -11.322 10.372 7.341 71 HA ILE 9 HA ILE 9 -9.005 10.495 5.788 72 HB ILE 9 HB ILE 9 -11.649 12.005 5.540 73 HG12 ILE 9 2HG1 ILE 9 -11.923 9.576 5.374 74 HG13 ILE 9 1HG1 ILE 9 -12.184 10.294 3.789 75 HG21 ILE 9 1HG2 ILE 9 -9.985 13.270 4.264 76 HG22 ILE 9 2HG2 ILE 9 -11.098 12.458 3.166 77 HG23 ILE 9 3HG2 ILE 9 -9.482 11.805 3.419 78 HD11 ILE 9 3HD1 ILE 9 -9.706 8.850 4.720 79 HD12 ILE 9 1HD1 ILE 9 -9.912 9.607 3.138 80 HD13 ILE 9 2HD1 ILE 9 -10.931 8.249 3.605 81 H LYS 10 HN LYS 10 -10.497 12.971 7.854 82 HA LYS 10 HA LYS 10 -9.097 15.213 7.175 83 HB2 LYS 10 2HB LYS 10 -11.040 15.138 8.722 84 HB3 LYS 10 1HB LYS 10 -10.037 14.375 9.945 85 HG2 LYS 10 2HG LYS 10 -10.020 16.556 10.703 86 HG3 LYS 10 1HG LYS 10 -8.568 16.570 9.707 87 HD2 LYS 10 2HD LYS 10 -11.314 17.597 8.852 88 HD3 LYS 10 1HD LYS 10 -9.984 18.606 9.413 89 HE2 LYS 10 2HE LYS 10 -8.641 17.881 7.450 90 HE3 LYS 10 1HE LYS 10 -10.007 16.918 6.889 91 HZ1 LYS 10 3HZ LYS 10 -10.005 19.854 7.261 92 HZ2 LYS 10 1HZ LYS 10 -11.297 18.925 6.684 93 HZ3 LYS 10 2HZ LYS 10 -9.870 19.045 5.781 94 H SER 11 HN SER 11 -8.235 12.990 9.841 95 HA SER 11 HA SER 11 -5.699 14.258 10.325 96 HB2 SER 11 2HB SER 11 -5.377 12.256 11.884 97 HB3 SER 11 1HB SER 11 -6.810 13.230 12.204 98 HG SER 11 HG SER 11 -8.061 11.620 11.608 99 H LEU 12 HN LEU 12 -6.698 11.091 9.054 100 HA LEU 12 HA LEU 12 -4.373 9.879 8.485 101 HB2 LEU 12 2HB LEU 12 -6.678 8.986 8.431 102 HB3 LEU 12 1HB LEU 12 -6.946 9.802 6.904 103 HG LEU 12 HG LEU 12 -5.244 8.349 5.834 104 HD11 LEU 12 1HD1 LEU 12 -4.347 6.404 7.014 105 HD12 LEU 12 2HD1 LEU 12 -5.112 6.931 8.515 106 HD13 LEU 12 3HD1 LEU 12 -3.828 7.900 7.788 107 HD21 LEU 12 3HD2 LEU 12 -7.635 7.790 5.784 108 HD22 LEU 12 1HD2 LEU 12 -7.461 6.862 7.277 109 HD23 LEU 12 2HD2 LEU 12 -6.637 6.342 5.808 110 H ASN 13 HN ASN 13 -6.083 12.050 6.177 111 HA ASN 13 HA ASN 13 -4.333 11.498 3.982 112 HB2 ASN 13 2HB ASN 13 -6.299 13.742 4.491 113 HB3 ASN 13 1HB ASN 13 -5.266 13.757 3.065 114 HD21 ASN 13 1HD2 ASN 13 -6.801 10.892 4.543 115 HD22 ASN 13 2HD2 ASN 13 -7.817 10.556 3.189 116 H ARG 14 HN ARG 14 -4.202 13.772 6.629 117 HA ARG 14 HA ARG 14 -2.102 15.433 5.584 118 HB2 ARG 14 2HB ARG 14 -3.074 15.013 8.442 119 HB3 ARG 14 1HB ARG 14 -1.928 16.259 7.949 120 HG2 ARG 14 2HG ARG 14 -4.804 16.033 7.000 121 HG3 ARG 14 1HG ARG 14 -4.207 17.150 8.232 122 HD2 ARG 14 2HD ARG 14 -2.723 18.185 6.510 123 HD3 ARG 14 1HD ARG 14 -3.427 17.112 5.296 124 HE ARG 14 HE ARG 14 -5.627 18.279 6.216 125 HH11 ARG 14 1HH1 ARG 14 -2.555 19.801 5.411 126 HH12 ARG 14 2HH1 ARG 14 -3.288 21.304 4.958 127 HH21 ARG 14 1HH2 ARG 14 -6.568 20.257 5.615 128 HH22 ARG 14 2HH2 ARG 14 -5.564 21.565 5.070 129 H MET 15 HN MET 15 -2.199 12.318 7.080 130 HA MET 15 HA MET 15 0.608 12.181 7.812 131 HB2 MET 15 2HB MET 15 -1.443 9.933 7.520 132 HB3 MET 15 1HB MET 15 0.109 9.827 8.349 133 HG2 MET 15 2HG MET 15 -0.657 11.274 10.104 134 HG3 MET 15 1HG MET 15 -2.128 11.668 9.212 135 HE1 MET 15 3HE MET 15 -3.618 9.605 12.165 136 HE2 MET 15 1HE MET 15 -3.698 11.116 11.252 137 HE3 MET 15 2HE MET 15 -2.285 10.759 12.260 138 H GLN 16 HN GLN 16 -1.500 10.465 5.481 139 HA GLN 16 HA GLN 16 0.619 9.084 4.207 140 HB2 GLN 16 2HB GLN 16 -2.145 9.478 3.013 141 HB3 GLN 16 1HB GLN 16 -1.021 8.143 2.735 142 HG2 GLN 16 2HG GLN 16 -1.346 7.509 5.165 143 HG3 GLN 16 1HG GLN 16 -2.625 8.725 5.243 144 HE21 GLN 16 1HE2 GLN 16 -2.982 5.925 5.696 145 HE22 GLN 16 2HE2 GLN 16 -4.023 5.313 4.463 146 H TYR 17 HN TYR 17 -1.417 11.771 3.111 147 HA TYR 17 HA TYR 17 -0.261 12.192 0.569 148 HB2 TYR 17 2HB TYR 17 -2.384 13.291 1.233 149 HB3 TYR 17 1HB TYR 17 -1.508 14.334 2.343 150 HD1 TYR 17 HD1 TYR 17 -1.730 13.442 -1.292 151 HD2 TYR 17 HD2 TYR 17 -0.743 16.453 1.578 152 HE1 TYR 17 HE1 TYR 17 -1.435 15.075 -3.104 153 HE2 TYR 17 HE2 TYR 17 -0.448 18.086 -0.233 154 HH TYR 17 HH TYR 17 0.071 18.090 -2.642 155 H GLU 18 HN GLU 18 0.804 13.419 3.724 156 HA GLU 18 HA GLU 18 2.996 14.981 2.788 157 HB2 GLU 18 2HB GLU 18 2.074 15.248 5.065 158 HB3 GLU 18 1HB GLU 18 2.565 13.609 5.480 159 HG2 GLU 18 2HG GLU 18 4.952 14.306 5.111 160 HG3 GLU 18 1HG GLU 18 4.388 15.959 4.873 161 H VAL 19 HN VAL 19 2.591 11.578 3.636 162 HA VAL 19 HA VAL 19 5.376 10.945 3.917 163 HB VAL 19 HB VAL 19 2.798 9.326 3.985 164 HG11 VAL 19 1HG1 VAL 19 5.578 8.123 4.057 165 HG12 VAL 19 2HG1 VAL 19 4.370 7.852 2.807 166 HG13 VAL 19 3HG1 VAL 19 4.091 7.257 4.444 167 HG21 VAL 19 3HG2 VAL 19 3.469 10.578 6.011 168 HG22 VAL 19 1HG2 VAL 19 5.033 9.751 6.009 169 HG23 VAL 19 2HG2 VAL 19 3.546 8.837 6.299 170 H THR 20 HN THR 20 2.943 9.684 1.611 171 HA THR 20 HA THR 20 4.724 8.448 -0.110 172 HB THR 20 HB THR 20 2.027 9.518 -1.032 173 HG1 THR 20 HG1 THR 20 2.506 7.221 0.594 174 HG21 THR 20 3HG2 THR 20 3.350 8.301 -2.731 175 HG22 THR 20 1HG2 THR 20 1.935 7.362 -2.251 176 HG23 THR 20 2HG2 THR 20 3.527 6.936 -1.622 177 H GLN 21 HN GLN 21 3.787 11.812 -0.003 178 HA GLN 21 HA GLN 21 4.463 12.570 -2.695 179 HB2 GLN 21 2HB GLN 21 2.947 13.896 -1.240 180 HB3 GLN 21 1HB GLN 21 4.293 14.278 -0.176 181 HG2 GLN 21 2HG GLN 21 5.379 15.519 -2.045 182 HG3 GLN 21 1HG GLN 21 3.980 15.173 -3.066 183 HE21 GLN 21 1HE2 GLN 21 1.984 16.217 -2.583 184 HE22 GLN 21 2HE2 GLN 21 1.918 17.633 -1.592 185 H ASN 22 HN ASN 22 6.249 12.085 0.214 186 HA ASN 22 HA ASN 22 8.735 13.299 -0.842 187 HB2 ASN 22 2HB ASN 22 7.969 14.124 1.376 188 HB3 ASN 22 1HB ASN 22 7.955 12.479 2.003 189 HD21 ASN 22 1HD2 ASN 22 10.450 14.054 -0.034 190 HD22 ASN 22 2HD2 ASN 22 11.704 13.940 1.145 191 H ASN 23 HN ASN 23 7.174 10.278 -0.305 192 HA ASN 23 HA ASN 23 7.729 8.127 0.078 193 HB2 ASN 23 2HB ASN 23 10.412 8.995 -1.082 194 HB3 ASN 23 1HB ASN 23 10.115 7.342 -0.555 195 HD21 ASN 23 1HD2 ASN 23 9.206 9.814 -2.873 196 HD22 ASN 23 2HD2 ASN 23 8.534 8.737 -4.042 197 H GLY 24 HN GLY 24 7.888 10.148 2.084 198 HA2 GLY 24 2HA GLY 24 10.119 9.598 3.859 199 HA3 GLY 24 1HA GLY 24 8.816 10.749 4.107 200 H THR 25 HN THR 25 9.298 9.552 6.276 201 HA THR 25 HA THR 25 6.988 7.836 6.696 202 HB THR 25 HB THR 25 8.718 6.120 6.366 203 HG1 THR 25 HG1 THR 25 8.230 6.252 9.163 204 HG21 THR 25 3HG2 THR 25 10.743 7.411 6.972 205 HG22 THR 25 1HG2 THR 25 10.660 5.884 7.859 206 HG23 THR 25 2HG2 THR 25 10.242 7.397 8.664 207 H GLU 26 HN GLU 26 6.125 8.009 8.715 208 HA GLU 26 HA GLU 26 7.039 10.168 10.447 209 HB2 GLU 26 2HB GLU 26 4.660 8.268 10.678 210 HB3 GLU 26 1HB GLU 26 4.960 9.646 11.740 211 HG2 GLU 26 2HG GLU 26 4.702 11.177 9.819 212 HG3 GLU 26 1HG GLU 26 4.412 9.800 8.754 213 HA PRO 27 HA PRO 27 9.271 7.416 13.328 214 HB2 PRO 27 2HB PRO 27 8.075 9.230 15.433 215 HB3 PRO 27 1HB PRO 27 9.755 8.710 15.222 216 HG2 PRO 27 2HG PRO 27 9.034 11.174 14.523 217 HG3 PRO 27 1HG PRO 27 10.156 10.251 13.498 218 HD2 PRO 27 2HD PRO 27 7.208 10.767 13.098 219 HD3 PRO 27 1HD PRO 27 8.526 10.769 11.903 220 HA PRO 28 HA PRO 28 5.688 4.879 13.631 221 HB2 PRO 28 2HB PRO 28 6.726 2.639 14.849 222 HB3 PRO 28 1HB PRO 28 7.079 3.093 13.177 223 HG2 PRO 28 2HG PRO 28 8.718 3.572 15.657 224 HG3 PRO 28 1HG PRO 28 9.246 2.998 14.060 225 HD2 PRO 28 2HD PRO 28 9.558 5.582 14.833 226 HD3 PRO 28 1HD PRO 28 9.242 5.138 13.142 227 H PHE 29 HN PHE 29 4.442 3.440 15.150 228 HA PHE 29 HA PHE 29 3.514 4.931 17.376 229 HB2 PHE 29 2HB PHE 29 2.078 3.465 15.981 230 HB3 PHE 29 1HB PHE 29 2.963 2.045 16.515 231 HD1 PHE 29 HD2 PHE 29 0.730 4.798 17.731 232 HD2 PHE 29 HD1 PHE 29 2.254 0.866 18.472 233 HE1 PHE 29 HE2 PHE 29 -0.866 4.519 19.574 234 HE2 PHE 29 HE1 PHE 29 0.647 0.603 20.311 235 HZ PHE 29 HZ PHE 29 -0.911 2.423 20.866 236 H GLN 30 HN GLN 30 6.030 2.586 17.044 237 HA GLN 30 HA GLN 30 7.809 2.183 18.373 238 HB2 GLN 30 2HB GLN 30 7.481 4.310 19.548 239 HB3 GLN 30 1HB GLN 30 6.266 3.590 20.594 240 HG2 GLN 30 2HG GLN 30 8.004 2.140 21.602 241 HG3 GLN 30 1HG GLN 30 9.211 2.860 20.534 242 HE21 GLN 30 1HE2 GLN 30 7.122 3.416 23.301 243 HE22 GLN 30 2HE2 GLN 30 7.926 4.841 23.863 244 H ASN 31 HN ASN 31 4.608 1.296 19.397 245 HA ASN 31 HA ASN 31 5.574 -1.052 20.905 246 HB2 ASN 31 2HB ASN 31 3.947 0.498 22.042 247 HB3 ASN 31 1HB ASN 31 2.773 0.175 20.771 248 HD21 ASN 31 1HD2 ASN 31 4.411 -1.125 23.580 249 HD22 ASN 31 2HD2 ASN 31 3.359 -2.478 23.807 250 H GLU 32 HN GLU 32 4.393 -3.078 20.517 251 HA GLU 32 HA GLU 32 4.733 -4.107 18.002 252 HB2 GLU 32 2HB GLU 32 3.522 -6.109 18.844 253 HB3 GLU 32 1HB GLU 32 4.671 -5.475 20.021 254 HG2 GLU 32 2HG GLU 32 2.761 -4.325 21.186 255 HG3 GLU 32 1HG GLU 32 1.651 -5.120 20.071 256 H TYR 33 HN TYR 33 1.930 -2.423 19.177 257 HA TYR 33 HA TYR 33 -0.137 -3.625 17.720 258 HB2 TYR 33 2HB TYR 33 0.058 -0.812 18.847 259 HB3 TYR 33 1HB TYR 33 -1.429 -1.525 18.235 260 HD1 TYR 33 HD2 TYR 33 -0.934 -4.355 19.426 261 HD2 TYR 33 HD1 TYR 33 -0.708 -0.428 21.105 262 HE1 TYR 33 HE2 TYR 33 -1.433 -5.274 21.639 263 HE2 TYR 33 HE1 TYR 33 -1.221 -1.351 23.321 264 HH TYR 33 HH TYR 33 -1.241 -4.756 23.947 265 H TRP 34 HN TRP 34 2.371 -1.644 16.417 266 HA TRP 34 HA TRP 34 0.636 -0.919 14.098 267 HB2 TRP 34 2HB TRP 34 2.145 0.785 13.474 268 HB3 TRP 34 1HB TRP 34 2.089 0.885 15.226 269 HD1 TRP 34 HD1 TRP 34 4.365 0.241 16.557 270 HE1 TRP 34 HE1 TRP 34 6.808 0.050 15.796 271 HE3 TRP 34 HE3 TRP 34 3.620 0.193 11.511 272 HZ2 TRP 34 HZ2 TRP 34 8.241 -0.076 13.360 273 HZ3 TRP 34 HZ3 TRP 34 5.574 0.057 10.026 274 HH2 TRP 34 HH2 TRP 34 7.841 -0.075 10.933 275 H ASP 35 HN ASP 35 3.525 -2.756 14.951 276 HA ASP 35 HA ASP 35 4.024 -3.548 12.147 277 HB2 ASP 35 2HB ASP 35 6.207 -4.355 12.992 278 HB3 ASP 35 1HB ASP 35 5.938 -2.668 13.417 279 H HIS 36 HN HIS 36 2.285 -4.672 14.719 280 HA HIS 36 HA HIS 36 2.748 -7.355 15.066 281 HB2 HIS 36 2HB HIS 36 0.351 -7.588 15.681 282 HB3 HIS 36 1HB HIS 36 1.069 -6.145 16.384 283 HD1 HIS 36 HD1 HIS 36 -2.021 -6.753 15.720 284 HD2 HIS 36 HD2 HIS 36 0.534 -4.222 13.638 285 HE1 HIS 36 HE1 HIS 36 -3.505 -5.071 14.589 286 HE2 HIS 36 HE2 HIS 36 -1.926 -3.499 13.415 287 H LYS 37 HN LYS 37 2.235 -9.271 13.991 288 HA LYS 37 HA LYS 37 2.197 -8.806 11.067 289 HB2 LYS 37 2HB LYS 37 4.331 -9.527 12.314 290 HB3 LYS 37 1HB LYS 37 3.543 -11.076 12.600 291 HG2 LYS 37 2HG LYS 37 3.360 -11.343 10.087 292 HG3 LYS 37 1HG LYS 37 4.329 -9.869 9.920 293 HD2 LYS 37 2HD LYS 37 6.211 -10.930 11.071 294 HD3 LYS 37 1HD LYS 37 5.245 -12.373 11.404 295 HE2 LYS 37 2HE LYS 37 5.053 -12.719 8.911 296 HE3 LYS 37 1HE LYS 37 6.176 -11.375 8.695 297 HZ1 LYS 37 3HZ LYS 37 7.855 -12.592 9.864 298 HZ2 LYS 37 1HZ LYS 37 7.253 -13.565 8.623 299 HZ3 LYS 37 2HZ LYS 37 6.783 -13.847 10.220 300 H GLU 38 HN GLU 38 -0.220 -9.433 12.779 301 HA GLU 38 HA GLU 38 -1.052 -12.101 12.289 302 HB2 GLU 38 2HB GLU 38 -2.717 -9.602 12.803 303 HB3 GLU 38 1HB GLU 38 -3.405 -11.212 12.651 304 HG2 GLU 38 2HG GLU 38 -3.272 -10.998 14.944 305 HG3 GLU 38 1HG GLU 38 -1.769 -11.843 14.595 306 H GLU 39 HN GLU 39 -1.419 -13.027 10.420 307 HA GLU 39 HA GLU 39 -1.317 -11.603 7.962 308 HB2 GLU 39 2HB GLU 39 -1.868 -14.559 8.378 309 HB3 GLU 39 1HB GLU 39 -1.401 -13.794 6.873 310 HG2 GLU 39 2HG GLU 39 0.657 -14.562 7.449 311 HG3 GLU 39 1HG GLU 39 0.726 -13.055 8.354 312 H GLY 40 HN GLY 40 -2.792 -12.057 6.141 313 HA2 GLY 40 2HA GLY 40 -5.397 -12.482 5.926 314 HA3 GLY 40 1HA GLY 40 -5.407 -10.997 6.882 315 H LEU 41 HN LEU 41 -5.027 -9.061 5.878 316 HA LEU 41 HA LEU 41 -3.816 -8.962 3.189 317 HB2 LEU 41 2HB LEU 41 -6.461 -7.683 4.042 318 HB3 LEU 41 1HB LEU 41 -5.552 -7.109 2.653 319 HG LEU 41 HG LEU 41 -6.656 -9.939 2.893 320 HD11 LEU 41 1HD1 LEU 41 -7.832 -7.597 1.359 321 HD12 LEU 41 2HD1 LEU 41 -8.503 -8.338 2.815 322 HD13 LEU 41 3HD1 LEU 41 -8.407 -9.269 1.325 323 HD21 LEU 41 3HD2 LEU 41 -4.731 -9.801 1.411 324 HD22 LEU 41 1HD2 LEU 41 -5.458 -8.450 0.535 325 HD23 LEU 41 2HD2 LEU 41 -6.198 -10.055 0.467 326 H TYR 42 HN TYR 42 -3.281 -6.601 2.666 327 HA TYR 42 HA TYR 42 -3.359 -4.770 4.973 328 HB2 TYR 42 2HB TYR 42 -1.180 -3.865 4.644 329 HB3 TYR 42 1HB TYR 42 -0.940 -5.600 4.614 330 HD1 TYR 42 HD1 TYR 42 -0.294 -6.733 2.510 331 HD2 TYR 42 HD2 TYR 42 -0.837 -2.504 2.640 332 HE1 TYR 42 HE1 TYR 42 0.806 -6.515 0.330 333 HE2 TYR 42 HE2 TYR 42 0.256 -2.282 0.462 334 HH TYR 42 HH TYR 42 1.827 -3.533 -0.937 335 H VAL 43 HN VAL 43 -3.862 -2.646 4.356 336 HA VAL 43 HA VAL 43 -4.771 -2.238 1.583 337 HB VAL 43 HB VAL 43 -6.996 -1.555 2.262 338 HG11 VAL 43 1HG1 VAL 43 -6.462 -4.174 3.706 339 HG12 VAL 43 2HG1 VAL 43 -6.602 -4.017 1.956 340 HG13 VAL 43 3HG1 VAL 43 -7.988 -3.640 2.991 341 HG21 VAL 43 3HG2 VAL 43 -7.809 -1.625 4.609 342 HG22 VAL 43 1HG2 VAL 43 -6.505 -0.453 4.391 343 HG23 VAL 43 2HG2 VAL 43 -6.173 -2.010 5.153 344 H ASP 44 HN ASP 44 -5.375 0.054 1.168 345 HA ASP 44 HA ASP 44 -3.727 1.974 2.647 346 HB2 ASP 44 2HB ASP 44 -4.359 3.607 0.907 347 HB3 ASP 44 1HB ASP 44 -3.748 2.137 0.169 348 H ILE 45 HN ILE 45 -4.535 2.736 4.439 349 HA ILE 45 HA ILE 45 -6.950 2.207 5.600 350 HB ILE 45 HB ILE 45 -5.544 4.828 6.264 351 HG12 ILE 45 2HG1 ILE 45 -4.669 2.061 7.176 352 HG13 ILE 45 1HG1 ILE 45 -3.800 3.070 6.035 353 HG21 ILE 45 1HG2 ILE 45 -6.250 4.346 8.581 354 HG22 ILE 45 2HG2 ILE 45 -7.000 2.835 8.057 355 HG23 ILE 45 3HG2 ILE 45 -7.638 4.381 7.493 356 HD11 ILE 45 3HD1 ILE 45 -2.767 3.120 8.221 357 HD12 ILE 45 1HD1 ILE 45 -4.270 3.677 8.955 358 HD13 ILE 45 2HD1 ILE 45 -3.402 4.714 7.819 359 H VAL 46 HN VAL 46 -6.238 4.970 3.561 360 HA VAL 46 HA VAL 46 -8.462 6.619 3.927 361 HB VAL 46 HB VAL 46 -7.935 7.318 1.416 362 HG11 VAL 46 1HG1 VAL 46 -5.858 7.674 3.616 363 HG12 VAL 46 2HG1 VAL 46 -7.296 8.673 3.368 364 HG13 VAL 46 3HG1 VAL 46 -6.007 8.670 2.162 365 HG21 VAL 46 3HG2 VAL 46 -5.684 6.675 0.632 366 HG22 VAL 46 1HG2 VAL 46 -6.695 5.232 0.828 367 HG23 VAL 46 2HG2 VAL 46 -5.470 5.626 2.040 368 H SER 47 HN SER 47 -8.083 3.982 1.538 369 HA SER 47 HA SER 47 -10.878 4.388 0.641 370 HB2 SER 47 2HB SER 47 -8.969 4.398 -1.052 371 HB3 SER 47 1HB SER 47 -8.717 2.690 -0.697 372 HG SER 47 HG SER 47 -10.102 2.540 -2.300 373 H GLY 48 HN GLY 48 -8.922 2.338 2.558 374 HA2 GLY 48 2HA GLY 48 -9.270 0.410 3.727 375 HA3 GLY 48 1HA GLY 48 -10.980 0.597 3.379 376 H LYS 49 HN LYS 49 -8.453 0.241 0.910 377 HA LYS 49 HA LYS 49 -10.027 -2.042 -0.160 378 HB2 LYS 49 2HB LYS 49 -8.617 0.276 -1.488 379 HB3 LYS 49 1HB LYS 49 -8.995 -1.185 -2.396 380 HG2 LYS 49 2HG LYS 49 -11.079 0.495 -0.956 381 HG3 LYS 49 1HG LYS 49 -10.638 0.685 -2.658 382 HD2 LYS 49 2HD LYS 49 -11.250 -1.781 -2.965 383 HD3 LYS 49 1HD LYS 49 -11.941 -1.723 -1.337 384 HE2 LYS 49 2HE LYS 49 -13.691 -1.384 -3.018 385 HE3 LYS 49 1HE LYS 49 -13.469 0.092 -2.078 386 HZ1 LYS 49 3HZ LYS 49 -12.382 -0.428 -4.797 387 HZ2 LYS 49 1HZ LYS 49 -12.100 0.975 -3.892 388 HZ3 LYS 49 2HZ LYS 49 -13.665 0.601 -4.415 389 HA PRO 50 HA PRO 50 -6.404 -4.594 0.360 390 HB2 PRO 50 2HB PRO 50 -6.909 -6.530 -1.561 391 HB3 PRO 50 1HB PRO 50 -7.720 -6.469 0.011 392 HG2 PRO 50 2HG PRO 50 -8.677 -5.414 -2.655 393 HG3 PRO 50 1HG PRO 50 -9.567 -6.373 -1.452 394 HD2 PRO 50 2HD PRO 50 -9.915 -3.722 -1.609 395 HD3 PRO 50 1HD PRO 50 -9.876 -4.534 -0.023 396 H LEU 51 HN LEU 51 -4.416 -4.081 -0.271 397 HA LEU 51 HA LEU 51 -3.896 -3.083 -2.991 398 HB2 LEU 51 2HB LEU 51 -2.107 -2.969 -0.536 399 HB3 LEU 51 1HB LEU 51 -1.808 -2.178 -2.083 400 HG LEU 51 HG LEU 51 -3.928 -1.497 -0.020 401 HD11 LEU 51 1HD1 LEU 51 -1.706 -0.620 0.435 402 HD12 LEU 51 2HD1 LEU 51 -2.827 0.679 0.040 403 HD13 LEU 51 3HD1 LEU 51 -1.649 0.139 -1.160 404 HD21 LEU 51 3HD2 LEU 51 -4.759 0.247 -1.562 405 HD22 LEU 51 1HD2 LEU 51 -5.018 -1.379 -2.197 406 HD23 LEU 51 2HD2 LEU 51 -3.710 -0.379 -2.839 407 H PHE 52 HN PHE 52 -3.008 -5.570 -0.695 408 HA PHE 52 HA PHE 52 -2.490 -7.469 -2.703 409 HB2 PHE 52 2HB PHE 52 -0.346 -6.106 -2.924 410 HB3 PHE 52 1HB PHE 52 0.071 -6.608 -1.298 411 HD1 PHE 52 HD1 PHE 52 -1.312 -8.487 -4.244 412 HD2 PHE 52 HD2 PHE 52 1.895 -8.057 -1.434 413 HE1 PHE 52 HE1 PHE 52 -0.215 -10.469 -5.177 414 HE2 PHE 52 HE2 PHE 52 2.974 -10.042 -2.380 415 HZ PHE 52 HZ PHE 52 1.924 -11.255 -4.246 416 H THR 53 HN THR 53 -1.749 -9.562 -1.784 417 HA THR 53 HA THR 53 -3.169 -10.087 0.666 418 HB THR 53 HB THR 53 -3.430 -11.640 -1.199 419 HG1 THR 53 HG1 THR 53 -3.228 -13.477 -0.022 420 HG21 THR 53 3HG2 THR 53 -0.455 -12.226 -0.949 421 HG22 THR 53 1HG2 THR 53 -1.224 -11.363 -2.290 422 HG23 THR 53 2HG2 THR 53 -1.590 -13.068 -2.007 423 H SER 54 HN SER 54 -2.350 -10.814 2.583 424 HA SER 54 HA SER 54 0.310 -10.226 3.320 425 HB2 SER 54 2HB SER 54 -1.569 -10.122 4.916 426 HB3 SER 54 1HB SER 54 -1.727 -11.873 4.845 427 HG SER 54 HG SER 54 0.622 -11.797 5.542 428 H LYS 55 HN LYS 55 -1.083 -13.140 2.031 429 HA LYS 55 HA LYS 55 0.779 -15.021 3.062 430 HB2 LYS 55 2HB LYS 55 -0.144 -16.629 1.586 431 HB3 LYS 55 1HB LYS 55 -1.475 -15.553 1.996 432 HG2 LYS 55 2HG LYS 55 -1.227 -14.409 -0.170 433 HG3 LYS 55 1HG LYS 55 0.128 -15.463 -0.586 434 HD2 LYS 55 2HD LYS 55 -1.410 -17.428 -0.456 435 HD3 LYS 55 1HD LYS 55 -2.747 -16.329 -0.106 436 HE2 LYS 55 2HE LYS 55 -2.281 -15.208 -2.329 437 HE3 LYS 55 1HE LYS 55 -1.151 -16.521 -2.678 438 HZ1 LYS 55 3HZ LYS 55 -2.988 -18.088 -2.424 439 HZ2 LYS 55 1HZ LYS 55 -3.327 -16.948 -3.625 440 HZ3 LYS 55 2HZ LYS 55 -4.053 -16.815 -2.103 441 H ASP 56 HN ASP 56 1.061 -12.766 0.417 442 HA ASP 56 HA ASP 56 3.760 -13.825 -0.274 443 HB2 ASP 56 2HB ASP 56 1.723 -12.446 -2.076 444 HB3 ASP 56 1HB ASP 56 3.399 -12.701 -2.544 445 H LYS 57 HN LYS 57 2.571 -11.714 1.654 446 HA LYS 57 HA LYS 57 3.797 -9.211 0.769 447 HB2 LYS 57 2HB LYS 57 1.825 -8.659 1.827 448 HB3 LYS 57 1HB LYS 57 1.862 -10.034 2.893 449 HG2 LYS 57 2HG LYS 57 3.798 -7.830 3.474 450 HG3 LYS 57 1HG LYS 57 2.086 -7.498 3.746 451 HD2 LYS 57 2HD LYS 57 1.958 -9.495 5.238 452 HD3 LYS 57 1HD LYS 57 3.694 -9.763 5.009 453 HE2 LYS 57 2HE LYS 57 4.155 -7.554 6.007 454 HE3 LYS 57 1HE LYS 57 2.421 -7.285 6.222 455 HZ1 LYS 57 3HZ LYS 57 3.564 -8.055 8.235 456 HZ2 LYS 57 1HZ LYS 57 3.954 -9.504 7.456 457 HZ3 LYS 57 2HZ LYS 57 2.333 -9.107 7.744 458 H PHE 58 HN PHE 58 5.661 -8.404 1.495 459 HA PHE 58 HA PHE 58 7.352 -10.065 3.258 460 HB2 PHE 58 2HB PHE 58 8.316 -9.828 1.058 461 HB3 PHE 58 1HB PHE 58 8.001 -8.105 1.023 462 HD1 PHE 58 HD2 PHE 58 10.172 -10.728 2.511 463 HD2 PHE 58 HD1 PHE 58 9.578 -6.530 1.958 464 HE1 PHE 58 HE2 PHE 58 12.469 -10.296 3.272 465 HE2 PHE 58 HE1 PHE 58 11.876 -6.109 2.719 466 HZ PHE 58 HZ PHE 58 13.330 -7.990 3.369 467 H ASP 59 HN ASP 59 8.126 -9.230 5.119 468 HA ASP 59 HA ASP 59 7.215 -6.608 6.072 469 HB2 ASP 59 2HB ASP 59 8.534 -8.969 7.476 470 HB3 ASP 59 1HB ASP 59 8.168 -7.455 8.293 471 H SER 60 HN SER 60 8.549 -4.896 6.289 472 HA SER 60 HA SER 60 11.475 -5.305 6.397 473 HB2 SER 60 2HB SER 60 10.982 -4.399 4.179 474 HB3 SER 60 1HB SER 60 10.015 -3.101 4.883 475 HG SER 60 HG SER 60 12.011 -2.243 4.524 476 H GLN 61 HN GLN 61 11.896 -4.940 8.467 477 HA GLN 61 HA GLN 61 10.779 -2.665 9.939 478 HB2 GLN 61 2HB GLN 61 12.624 -4.936 10.791 479 HB3 GLN 61 1HB GLN 61 12.214 -3.592 11.845 480 HG2 GLN 61 2HG GLN 61 10.828 -5.426 12.455 481 HG3 GLN 61 1HG GLN 61 9.799 -4.245 11.647 482 HE21 GLN 61 1HE2 GLN 61 8.937 -4.761 9.595 483 HE22 GLN 61 2HE2 GLN 61 8.899 -6.381 9.013 484 H CYS 62 HN CYS 62 13.185 -3.095 7.750 485 HA CYS 62 HA CYS 62 15.165 -1.270 8.894 486 HB2 CYS 62 2HB CYS 62 15.041 -2.593 6.149 487 HB3 CYS 62 1HB CYS 62 16.427 -1.735 6.822 488 HG CYS 62 HG CYS 62 15.173 -4.380 8.526 489 H GLY 63 HN GLY 63 12.267 -1.049 7.113 490 HA2 GLY 63 2HA GLY 63 12.269 1.748 6.945 491 HA3 GLY 63 1HA GLY 63 12.755 1.119 5.370 492 H TRP 64 HN TRP 64 11.122 0.963 4.014 493 HA TRP 64 HA TRP 64 8.350 0.863 4.966 494 HB2 TRP 64 2HB TRP 64 9.479 1.513 2.203 495 HB3 TRP 64 1HB TRP 64 7.785 1.655 2.679 496 HD1 TRP 64 HD1 TRP 64 7.093 3.817 4.061 497 HE1 TRP 64 HE1 TRP 64 8.291 6.002 4.644 498 HE3 TRP 64 HE3 TRP 64 11.869 2.475 2.840 499 HZ2 TRP 64 HZ2 TRP 64 10.905 7.027 4.633 500 HZ3 TRP 64 HZ3 TRP 64 13.670 4.117 3.180 501 HH2 TRP 64 HH2 TRP 64 13.196 6.350 4.060 502 HA PRO 65 HA PRO 65 8.106 -3.566 4.064 503 HB2 PRO 65 2HB PRO 65 5.255 -2.804 3.401 504 HB3 PRO 65 1HB PRO 65 5.857 -4.151 4.379 505 HG2 PRO 65 2HG PRO 65 4.875 -1.992 5.584 506 HG3 PRO 65 1HG PRO 65 6.343 -2.767 6.221 507 HD2 PRO 65 2HD PRO 65 6.077 -0.235 4.606 508 HD3 PRO 65 1HD PRO 65 7.188 -0.612 5.947 509 H SER 66 HN SER 66 8.958 -4.353 2.258 510 HA SER 66 HA SER 66 8.407 -3.206 -0.375 511 HB2 SER 66 2HB SER 66 10.418 -5.345 0.449 512 HB3 SER 66 1HB SER 66 10.360 -4.509 -1.108 513 HG SER 66 HG SER 66 10.464 -2.903 1.156 514 H PHE 67 HN PHE 67 7.686 -4.484 -2.164 515 HA PHE 67 HA PHE 67 6.550 -7.142 -1.571 516 HB2 PHE 67 2HB PHE 67 4.918 -4.885 -2.845 517 HB3 PHE 67 1HB PHE 67 4.355 -6.526 -2.532 518 HD1 PHE 67 HD2 PHE 67 4.387 -7.315 -0.046 519 HD2 PHE 67 HD1 PHE 67 4.575 -3.213 -1.210 520 HE1 PHE 67 HE2 PHE 67 3.729 -6.621 2.197 521 HE2 PHE 67 HE1 PHE 67 3.917 -2.548 1.061 522 HZ PHE 67 HZ PHE 67 3.489 -4.256 2.767 523 H THR 68 HN THR 68 6.157 -8.427 -3.393 524 HA THR 68 HA THR 68 7.853 -8.169 -5.640 525 HB THR 68 HB THR 68 5.477 -10.001 -5.078 526 HG1 THR 68 HG1 THR 68 8.168 -10.023 -4.367 527 HG21 THR 68 3HG2 THR 68 6.436 -11.534 -6.772 528 HG22 THR 68 1HG2 THR 68 7.621 -10.302 -7.203 529 HG23 THR 68 2HG2 THR 68 5.905 -10.013 -7.493 530 H LYS 69 HN LYS 69 4.403 -7.540 -5.101 531 HA LYS 69 HA LYS 69 3.915 -6.260 -7.617 532 HB2 LYS 69 2HB LYS 69 2.405 -8.035 -8.542 533 HB3 LYS 69 1HB LYS 69 4.081 -8.568 -8.447 534 HG2 LYS 69 2HG LYS 69 3.546 -9.771 -6.329 535 HG3 LYS 69 1HG LYS 69 1.852 -9.303 -6.522 536 HD2 LYS 69 2HD LYS 69 1.761 -10.559 -8.660 537 HD3 LYS 69 1HD LYS 69 3.454 -11.030 -8.455 538 HE2 LYS 69 2HE LYS 69 2.853 -12.255 -6.386 539 HE3 LYS 69 1HE LYS 69 1.163 -11.775 -6.589 540 HZ1 LYS 69 3HZ LYS 69 2.728 -13.430 -8.495 541 HZ2 LYS 69 1HZ LYS 69 1.101 -12.998 -8.655 542 HZ3 LYS 69 2HZ LYS 69 1.583 -14.009 -7.394 543 HA PRO 70 HA PRO 70 0.216 -5.259 -5.151 544 HB2 PRO 70 2HB PRO 70 -0.751 -3.344 -6.672 545 HB3 PRO 70 1HB PRO 70 0.939 -3.222 -6.149 546 HG2 PRO 70 2HG PRO 70 -0.162 -4.013 -8.838 547 HG3 PRO 70 1HG PRO 70 1.302 -3.087 -8.454 548 HD2 PRO 70 2HD PRO 70 1.111 -5.929 -8.946 549 HD3 PRO 70 1HD PRO 70 2.559 -5.009 -8.477 550 H ILE 71 HN ILE 71 -2.163 -4.689 -5.621 551 HA ILE 71 HA ILE 71 -3.533 -6.752 -7.240 552 HB ILE 71 HB ILE 71 -4.451 -5.048 -4.885 553 HG12 ILE 71 2HG1 ILE 71 -4.514 -8.062 -5.329 554 HG13 ILE 71 1HG1 ILE 71 -3.289 -7.204 -4.395 555 HG21 ILE 71 1HG2 ILE 71 -6.744 -5.929 -5.153 556 HG22 ILE 71 2HG2 ILE 71 -6.280 -6.671 -6.685 557 HG23 ILE 71 3HG2 ILE 71 -6.266 -4.914 -6.515 558 HD11 ILE 71 3HD1 ILE 71 -6.225 -7.405 -3.748 559 HD12 ILE 71 1HD1 ILE 71 -5.041 -6.471 -2.825 560 HD13 ILE 71 2HD1 ILE 71 -4.898 -8.229 -2.934 561 H GLU 72 HN GLU 72 -4.600 -6.124 -9.030 562 HA GLU 72 HA GLU 72 -3.986 -3.640 -10.262 563 HB2 GLU 72 2HB GLU 72 -5.643 -4.566 -12.080 564 HB3 GLU 72 1HB GLU 72 -4.133 -5.400 -11.783 565 HG2 GLU 72 2HG GLU 72 -5.989 -6.978 -12.113 566 HG3 GLU 72 1HG GLU 72 -5.252 -7.140 -10.524 567 H GLU 73 HN GLU 73 -6.514 -4.398 -8.152 568 HA GLU 73 HA GLU 73 -8.779 -3.209 -9.244 569 HB2 GLU 73 2HB GLU 73 -8.679 -4.793 -7.283 570 HB3 GLU 73 1HB GLU 73 -8.069 -3.483 -6.285 571 HG2 GLU 73 2HG GLU 73 -10.421 -3.787 -5.851 572 HG3 GLU 73 1HG GLU 73 -10.175 -2.233 -6.655 573 H GLU 74 HN GLU 74 -6.478 -1.821 -6.860 574 HA GLU 74 HA GLU 74 -7.592 0.898 -7.360 575 HB2 GLU 74 2HB GLU 74 -6.670 -0.284 -4.699 576 HB3 GLU 74 1HB GLU 74 -7.265 1.357 -4.938 577 HG2 GLU 74 2HG GLU 74 -8.918 -1.138 -5.436 578 HG3 GLU 74 1HG GLU 74 -8.908 -0.235 -3.935 579 H VAL 75 HN VAL 75 -4.966 -0.787 -8.067 580 HA VAL 75 HA VAL 75 -2.994 1.251 -7.211 581 HB VAL 75 HB VAL 75 -2.473 -1.660 -7.987 582 HG11 VAL 75 1HG1 VAL 75 -0.120 -1.191 -7.300 583 HG12 VAL 75 2HG1 VAL 75 -0.540 0.506 -7.083 584 HG13 VAL 75 3HG1 VAL 75 -0.609 -0.218 -8.690 585 HG21 VAL 75 3HG2 VAL 75 -1.808 -1.981 -5.620 586 HG22 VAL 75 1HG2 VAL 75 -3.499 -1.483 -5.740 587 HG23 VAL 75 2HG2 VAL 75 -2.264 -0.315 -5.265 588 H GLU 76 HN GLU 76 -1.896 2.302 -8.745 589 HA GLU 76 HA GLU 76 -2.106 1.523 -11.598 590 HB2 GLU 76 2HB GLU 76 -3.827 3.258 -11.211 591 HB3 GLU 76 1HB GLU 76 -2.651 4.303 -10.426 592 HG2 GLU 76 2HG GLU 76 -3.077 5.136 -12.645 593 HG3 GLU 76 1HG GLU 76 -1.433 4.500 -12.595 594 H GLU 77 HN GLU 77 -0.028 1.360 -12.353 595 HA GLU 77 HA GLU 77 2.111 2.746 -10.924 596 HB2 GLU 77 2HB GLU 77 3.635 1.482 -12.538 597 HB3 GLU 77 1HB GLU 77 2.743 0.514 -11.383 598 HG2 GLU 77 2HG GLU 77 2.739 -0.694 -13.416 599 HG3 GLU 77 1HG GLU 77 1.119 -0.038 -13.230 600 H LYS 78 HN LYS 78 3.130 4.510 -11.707 601 HA LYS 78 HA LYS 78 2.193 5.706 -14.241 602 HB2 LYS 78 2HB LYS 78 0.906 6.589 -12.230 603 HB3 LYS 78 1HB LYS 78 2.420 7.188 -11.571 604 HG2 LYS 78 2HG LYS 78 1.260 9.019 -12.614 605 HG3 LYS 78 1HG LYS 78 2.678 8.639 -13.600 606 HD2 LYS 78 2HD LYS 78 1.246 7.387 -15.177 607 HD3 LYS 78 1HD LYS 78 -0.175 7.728 -14.181 608 HE2 LYS 78 2HE LYS 78 0.144 10.151 -14.609 609 HE3 LYS 78 1HE LYS 78 1.535 9.771 -15.631 610 HZ1 LYS 78 3HZ LYS 78 -0.380 10.104 -16.984 611 HZ2 LYS 78 1HZ LYS 78 -1.283 8.979 -16.101 612 HZ3 LYS 78 2HZ LYS 78 0.026 8.463 -17.046 613 H LEU 79 HN LEU 79 4.011 5.844 -15.396 614 HA LEU 79 HA LEU 79 6.631 6.016 -14.318 615 HB2 LEU 79 2HB LEU 79 6.077 4.988 -16.540 616 HB3 LEU 79 1HB LEU 79 5.680 6.583 -17.159 617 HG LEU 79 HG LEU 79 8.041 7.298 -16.825 618 HD11 LEU 79 1HD1 LEU 79 9.789 5.692 -16.263 619 HD12 LEU 79 2HD1 LEU 79 8.576 4.432 -16.012 620 HD13 LEU 79 3HD1 LEU 79 8.622 5.840 -14.945 621 HD21 LEU 79 3HD2 LEU 79 7.340 6.414 -19.005 622 HD22 LEU 79 1HD2 LEU 79 7.775 4.780 -18.495 623 HD23 LEU 79 2HD2 LEU 79 9.024 6.017 -18.671 624 H ASP 80 HN ASP 80 7.981 7.762 -14.226 625 HA ASP 80 HA ASP 80 7.009 10.465 -14.850 626 HB2 ASP 80 2HB ASP 80 6.763 10.050 -12.372 627 HB3 ASP 80 1HB ASP 80 8.476 9.668 -12.278 628 H THR 81 HN THR 81 8.605 11.769 -15.650 629 HA THR 81 HA THR 81 11.407 11.022 -15.685 630 HB THR 81 HB THR 81 10.549 9.660 -17.554 631 HG1 THR 81 HG1 THR 81 11.866 11.900 -18.694 632 HG21 THR 81 3HG2 THR 81 8.516 10.954 -18.124 633 HG22 THR 81 1HG2 THR 81 9.512 10.665 -19.554 634 HG23 THR 81 2HG2 THR 81 9.524 12.248 -18.778 635 H SER 82 HN SER 82 9.890 13.110 -14.534 636 HA SER 82 HA SER 82 9.736 15.493 -16.021 637 HB2 SER 82 2HB SER 82 10.071 15.146 -13.011 638 HB3 SER 82 1HB SER 82 9.514 16.616 -13.816 639 HG SER 82 HG SER 82 8.207 14.108 -13.603 640 H HIS 83 HN HIS 83 12.380 14.141 -14.052 641 HA HIS 83 HA HIS 83 14.153 16.417 -14.696 642 HB2 HIS 83 2HB HIS 83 13.899 15.633 -12.293 643 HB3 HIS 83 1HB HIS 83 14.670 14.121 -12.748 644 HD1 HIS 83 HD1 HIS 83 16.636 14.568 -11.114 645 HD2 HIS 83 HD2 HIS 83 16.221 17.476 -14.046 646 HE1 HIS 83 HE1 HIS 83 18.737 15.932 -10.999 647 HE2 HIS 83 HE2 HIS 83 18.533 17.562 -12.900 648 H GLY 84 HN GLY 84 13.269 14.019 -16.467 649 HA2 GLY 84 2HA GLY 84 14.193 12.805 -18.179 650 HA3 GLY 84 1HA GLY 84 15.705 13.659 -17.886 651 H MET 85 HN MET 85 13.905 11.631 -15.648 652 HA MET 85 HA MET 85 15.899 9.461 -15.792 653 HB2 MET 85 2HB MET 85 16.566 10.836 -13.850 654 HB3 MET 85 1HB MET 85 14.921 10.818 -13.229 655 HG2 MET 85 2HG MET 85 15.156 8.298 -12.999 656 HG3 MET 85 1HG MET 85 16.872 8.508 -13.357 657 HE1 MET 85 3HE MET 85 15.556 7.131 -10.715 658 HE2 MET 85 1HE MET 85 16.643 7.734 -9.463 659 HE3 MET 85 2HE MET 85 17.295 7.181 -11.002 660 H ILE 86 HN ILE 86 14.972 7.454 -15.619 661 HA ILE 86 HA ILE 86 12.097 7.184 -15.613 662 HB ILE 86 HB ILE 86 14.311 5.086 -15.596 663 HG12 ILE 86 2HG1 ILE 86 14.361 6.456 -17.627 664 HG13 ILE 86 1HG1 ILE 86 13.794 4.839 -18.027 665 HG21 ILE 86 1HG2 ILE 86 12.603 3.436 -16.301 666 HG22 ILE 86 2HG2 ILE 86 11.339 4.649 -16.081 667 HG23 ILE 86 3HG2 ILE 86 12.268 4.082 -14.691 668 HD11 ILE 86 3HD1 ILE 86 11.477 5.707 -18.037 669 HD12 ILE 86 1HD1 ILE 86 12.531 6.463 -19.231 670 HD13 ILE 86 2HD1 ILE 86 12.121 7.329 -17.751 671 H ARG 87 HN ARG 87 10.919 7.116 -13.814 672 HA ARG 87 HA ARG 87 11.490 5.239 -11.734 673 HB2 ARG 87 2HB ARG 87 11.288 6.691 -9.812 674 HB3 ARG 87 1HB ARG 87 12.580 7.352 -10.798 675 HG2 ARG 87 2HG ARG 87 9.745 8.433 -10.879 676 HG3 ARG 87 1HG ARG 87 10.953 9.017 -9.736 677 HD2 ARG 87 2HD ARG 87 11.406 9.051 -12.737 678 HD3 ARG 87 1HD ARG 87 10.616 10.376 -11.874 679 HE ARG 87 HE ARG 87 13.367 9.453 -11.234 680 HH11 ARG 87 1HH1 ARG 87 11.097 12.074 -11.876 681 HH12 ARG 87 2HH1 ARG 87 12.233 13.320 -11.454 682 HH21 ARG 87 1HH2 ARG 87 14.869 11.118 -10.753 683 HH22 ARG 87 2HH2 ARG 87 14.370 12.778 -10.835 684 H THR 88 HN THR 88 9.522 4.700 -10.669 685 HA THR 88 HA THR 88 7.055 5.705 -11.978 686 HB THR 88 HB THR 88 7.784 2.765 -11.536 687 HG1 THR 88 HG1 THR 88 7.976 4.523 -13.627 688 HG21 THR 88 3HG2 THR 88 5.222 3.951 -12.664 689 HG22 THR 88 1HG2 THR 88 5.366 3.075 -11.145 690 HG23 THR 88 2HG2 THR 88 5.647 2.237 -12.681 691 H GLU 89 HN GLU 89 5.279 5.887 -10.682 692 HA GLU 89 HA GLU 89 5.538 5.037 -7.841 693 HB2 GLU 89 2HB GLU 89 4.088 6.943 -7.232 694 HB3 GLU 89 1HB GLU 89 5.598 7.459 -7.974 695 HG2 GLU 89 2HG GLU 89 4.430 7.848 -10.103 696 HG3 GLU 89 1HG GLU 89 2.912 7.330 -9.362 697 H VAL 90 HN VAL 90 3.887 3.871 -6.965 698 HA VAL 90 HA VAL 90 1.612 3.190 -8.700 699 HB VAL 90 HB VAL 90 1.065 1.440 -6.951 700 HG11 VAL 90 1HG1 VAL 90 2.228 0.876 -9.020 701 HG12 VAL 90 2HG1 VAL 90 2.827 -0.120 -7.689 702 HG13 VAL 90 3HG1 VAL 90 3.795 1.244 -8.277 703 HG21 VAL 90 3HG2 VAL 90 3.793 2.165 -5.822 704 HG22 VAL 90 1HG2 VAL 90 2.831 0.759 -5.351 705 HG23 VAL 90 2HG2 VAL 90 2.243 2.387 -5.014 706 H ARG 91 HN ARG 91 0.339 4.859 -8.623 707 HA ARG 91 HA ARG 91 -0.244 6.259 -6.144 708 HB2 ARG 91 2HB ARG 91 -1.466 7.845 -7.705 709 HB3 ARG 91 1HB ARG 91 0.280 7.751 -7.879 710 HG2 ARG 91 2HG ARG 91 0.018 6.389 -9.902 711 HG3 ARG 91 1HG ARG 91 -1.741 6.415 -9.710 712 HD2 ARG 91 2HD ARG 91 -0.877 8.085 -11.378 713 HD3 ARG 91 1HD ARG 91 -1.818 8.807 -10.072 714 HE ARG 91 HE ARG 91 0.899 8.893 -9.348 715 HH11 ARG 91 1HH1 ARG 91 -1.174 10.363 -11.779 716 HH12 ARG 91 2HH1 ARG 91 -0.225 11.809 -11.858 717 HH21 ARG 91 1HH2 ARG 91 2.097 10.798 -9.476 718 HH22 ARG 91 2HH2 ARG 91 1.621 12.047 -10.579 719 H SER 92 HN SER 92 -2.256 6.507 -5.276 720 HA SER 92 HA SER 92 -3.868 4.169 -5.384 721 HB2 SER 92 2HB SER 92 -3.328 5.347 -3.254 722 HB3 SER 92 1HB SER 92 -4.312 6.718 -3.773 723 HG SER 92 HG SER 92 -5.065 4.305 -2.716 724 H ARG 93 HN ARG 93 -6.337 4.463 -5.241 725 HA ARG 93 HA ARG 93 -7.024 5.288 -7.931 726 HB2 ARG 93 2HB ARG 93 -7.765 3.078 -7.067 727 HB3 ARG 93 1HB ARG 93 -8.733 3.877 -5.836 728 HG2 ARG 93 2HG ARG 93 -10.125 3.110 -7.715 729 HG3 ARG 93 1HG ARG 93 -10.172 4.870 -7.559 730 HD2 ARG 93 2HD ARG 93 -8.425 5.000 -9.375 731 HD3 ARG 93 1HD ARG 93 -8.589 3.253 -9.589 732 HE ARG 93 HE ARG 93 -11.098 3.937 -9.962 733 HH11 ARG 93 1HH1 ARG 93 -8.284 5.723 -11.105 734 HH12 ARG 93 2HH1 ARG 93 -9.107 6.318 -12.507 735 HH21 ARG 93 1HH2 ARG 93 -12.133 4.732 -11.795 736 HH22 ARG 93 2HH2 ARG 93 -11.283 5.760 -12.906 737 H THR 94 HN THR 94 -7.977 6.208 -4.600 738 HA THR 94 HA THR 94 -10.088 7.897 -5.167 739 HB THR 94 HB THR 94 -8.040 8.120 -2.927 740 HG1 THR 94 HG1 THR 94 -9.150 6.492 -2.197 741 HG21 THR 94 3HG2 THR 94 -10.761 9.496 -3.093 742 HG22 THR 94 1HG2 THR 94 -9.190 10.300 -3.088 743 HG23 THR 94 2HG2 THR 94 -9.733 9.423 -1.661 744 H ALA 95 HN ALA 95 -6.801 9.372 -4.384 745 HA ALA 95 HA ALA 95 -7.478 11.398 -6.463 746 HB1 ALA 95 3HB ALA 95 -8.010 12.252 -4.216 747 HB2 ALA 95 1HB ALA 95 -6.743 13.195 -5.007 748 HB3 ALA 95 2HB ALA 95 -6.325 12.040 -3.740 749 H ASP 96 HN ASP 96 -4.549 10.550 -4.410 750 HA ASP 96 HA ASP 96 -2.995 11.820 -6.605 751 HB2 ASP 96 2HB ASP 96 -2.503 11.954 -3.623 752 HB3 ASP 96 1HB ASP 96 -1.361 12.559 -4.826 753 H SER 97 HN SER 97 -2.037 9.750 -3.792 754 HA SER 97 HA SER 97 -0.263 8.215 -5.564 755 HB2 SER 97 2HB SER 97 1.781 8.956 -4.272 756 HB3 SER 97 1HB SER 97 1.047 10.225 -5.252 757 HG SER 97 HG SER 97 1.275 11.207 -3.354 758 H HIS 98 HN HIS 98 -2.149 8.208 -2.834 759 HA HIS 98 HA HIS 98 -0.527 7.946 -0.677 760 HB2 HIS 98 2HB HIS 98 -3.385 7.077 -1.030 761 HB3 HIS 98 1HB HIS 98 -2.583 6.849 0.522 762 HD1 HIS 98 HD1 HIS 98 -4.388 8.545 1.426 763 HD2 HIS 98 HD2 HIS 98 -1.618 10.160 -1.204 764 HE1 HIS 98 HE1 HIS 98 -4.569 11.028 1.722 765 HE2 HIS 98 HE2 HIS 98 -3.081 11.972 -0.076 766 H LEU 99 HN LEU 99 -1.120 5.173 -2.708 767 HA LEU 99 HA LEU 99 -0.464 3.072 -0.976 768 HB2 LEU 99 2HB LEU 99 0.529 3.136 -3.831 769 HB3 LEU 99 1HB LEU 99 -0.035 1.751 -2.902 770 HG LEU 99 HG LEU 99 -1.811 4.005 -3.905 771 HD11 LEU 99 1HD1 LEU 99 -2.629 2.437 -5.589 772 HD12 LEU 99 2HD1 LEU 99 -1.399 1.264 -5.098 773 HD13 LEU 99 3HD1 LEU 99 -0.922 2.815 -5.796 774 HD21 LEU 99 3HD2 LEU 99 -2.553 1.328 -2.717 775 HD22 LEU 99 1HD2 LEU 99 -3.677 2.533 -3.355 776 HD23 LEU 99 2HD2 LEU 99 -2.713 2.902 -1.924 777 H GLY 100 HN GLY 100 1.849 4.368 -3.400 778 HA2 GLY 100 2HA GLY 100 4.016 5.014 -1.795 779 HA3 GLY 100 1HA GLY 100 4.127 3.275 -2.075 780 H HIS 101 HN HIS 101 6.151 3.901 -3.163 781 HA HIS 101 HA HIS 101 5.703 4.479 -6.032 782 HB2 HIS 101 2HB HIS 101 7.991 5.554 -4.327 783 HB3 HIS 101 1HB HIS 101 7.982 5.595 -6.084 784 HD1 HIS 101 HD1 HIS 101 7.609 7.915 -6.795 785 HD2 HIS 101 HD2 HIS 101 5.335 6.997 -3.437 786 HE1 HIS 101 HE1 HIS 101 6.330 10.006 -6.256 787 HE2 HIS 101 HE2 HIS 101 4.976 9.440 -4.212 788 H VAL 102 HN VAL 102 7.566 3.654 -7.345 789 HA VAL 102 HA VAL 102 8.856 1.235 -6.290 790 HB VAL 102 HB VAL 102 8.079 -0.204 -8.073 791 HG11 VAL 102 1HG1 VAL 102 5.673 -0.381 -7.671 792 HG12 VAL 102 2HG1 VAL 102 5.639 1.254 -7.008 793 HG13 VAL 102 3HG1 VAL 102 6.519 -0.020 -6.166 794 HG21 VAL 102 3HG2 VAL 102 8.028 1.271 -9.952 795 HG22 VAL 102 1HG2 VAL 102 6.717 2.234 -9.259 796 HG23 VAL 102 2HG2 VAL 102 6.414 0.579 -9.792 797 H PHE 103 HN PHE 103 10.606 0.450 -7.825 798 HA PHE 103 HA PHE 103 11.339 2.277 -9.979 799 HB2 PHE 103 2HB PHE 103 13.724 2.498 -8.961 800 HB3 PHE 103 1HB PHE 103 12.442 3.504 -8.302 801 HD1 PHE 103 HD1 PHE 103 11.565 3.116 -6.044 802 HD2 PHE 103 HD2 PHE 103 14.701 0.672 -7.606 803 HE1 PHE 103 HE1 PHE 103 12.034 2.274 -3.790 804 HE2 PHE 103 HE2 PHE 103 15.163 -0.159 -5.342 805 HZ PHE 103 HZ PHE 103 13.834 0.641 -3.445 806 H ASN 104 HN ASN 104 12.890 1.559 -11.383 807 HA ASN 104 HA ASN 104 13.141 -1.315 -11.727 808 HB2 ASN 104 2HB ASN 104 14.270 0.962 -13.426 809 HB3 ASN 104 1HB ASN 104 14.131 -0.724 -13.910 810 HD21 ASN 104 1HD2 ASN 104 12.088 -1.543 -14.476 811 HD22 ASN 104 2HD2 ASN 104 10.737 -0.513 -14.791 812 H ASP 105 HN ASP 105 14.793 0.847 -9.899 813 HA ASP 105 HA ASP 105 17.538 0.001 -10.447 814 HB2 ASP 105 2HB ASP 105 17.102 2.358 -9.892 815 HB3 ASP 105 1HB ASP 105 16.329 1.897 -8.380 816 H GLY 106 HN GLY 106 14.914 -1.127 -8.712 817 HA2 GLY 106 2HA GLY 106 16.559 -2.514 -6.655 818 HA3 GLY 106 1HA GLY 106 14.877 -2.040 -6.433 819 HA PRO 107 HA PRO 107 15.501 -6.104 -9.182 820 HB2 PRO 107 2HB PRO 107 16.267 -8.107 -7.408 821 HB3 PRO 107 1HB PRO 107 17.390 -7.186 -8.415 822 HG2 PRO 107 2HG PRO 107 16.646 -6.743 -5.527 823 HG3 PRO 107 1HG PRO 107 18.254 -6.712 -6.282 824 HD2 PRO 107 2HD PRO 107 16.938 -4.427 -5.712 825 HD3 PRO 107 1HD PRO 107 17.932 -4.570 -7.178 826 H GLY 108 HN GLY 108 13.520 -6.854 -9.540 827 HA2 GLY 108 2HA GLY 108 11.988 -8.209 -7.444 828 HA3 GLY 108 1HA GLY 108 11.230 -6.811 -8.204 829 HA PRO 109 HA PRO 109 10.905 -10.955 -10.880 830 HB2 PRO 109 2HB PRO 109 8.226 -11.176 -9.509 831 HB3 PRO 109 1HB PRO 109 9.350 -12.453 -10.004 832 HG2 PRO 109 2HG PRO 109 9.174 -11.822 -7.440 833 HG3 PRO 109 1HG PRO 109 10.779 -12.092 -8.157 834 HD2 PRO 109 2HD PRO 109 9.399 -9.465 -7.538 835 HD3 PRO 109 1HD PRO 109 11.078 -9.962 -7.207 836 H ASN 110 HN ASN 110 8.801 -8.302 -10.015 837 HA ASN 110 HA ASN 110 7.265 -8.266 -12.489 838 HB2 ASN 110 2HB ASN 110 6.292 -7.558 -10.301 839 HB3 ASN 110 1HB ASN 110 7.445 -6.236 -10.211 840 HD21 ASN 110 1HD2 ASN 110 7.116 -4.409 -11.517 841 HD22 ASN 110 2HD2 ASN 110 5.629 -4.114 -12.337 842 H GLY 111 HN GLY 111 10.297 -7.284 -11.559 843 HA2 GLY 111 2HA GLY 111 11.992 -6.151 -12.706 844 HA3 GLY 111 1HA GLY 111 10.803 -5.506 -13.827 845 H LEU 112 HN LEU 112 9.387 -4.913 -11.042 846 HA LEU 112 HA LEU 112 10.704 -2.335 -10.442 847 HB2 LEU 112 2HB LEU 112 7.775 -3.159 -10.208 848 HB3 LEU 112 1HB LEU 112 8.424 -1.627 -9.631 849 HG LEU 112 HG LEU 112 8.442 -2.521 -12.544 850 HD11 LEU 112 1HD1 LEU 112 6.687 -0.848 -12.901 851 HD12 LEU 112 2HD1 LEU 112 6.620 -0.540 -11.167 852 HD13 LEU 112 3HD1 LEU 112 6.163 -2.119 -11.797 853 HD21 LEU 112 3HD2 LEU 112 10.305 -1.031 -11.987 854 HD22 LEU 112 1HD2 LEU 112 9.180 0.148 -11.299 855 HD23 LEU 112 2HD2 LEU 112 9.138 -0.219 -13.028 856 H ARG 113 HN ARG 113 10.574 -1.686 -8.164 857 HA ARG 113 HA ARG 113 10.214 -3.977 -6.278 858 HB2 ARG 113 2HB ARG 113 12.648 -3.129 -6.616 859 HB3 ARG 113 1HB ARG 113 12.161 -1.698 -5.718 860 HG2 ARG 113 2HG ARG 113 11.725 -4.461 -4.559 861 HG3 ARG 113 1HG ARG 113 13.316 -3.716 -4.477 862 HD2 ARG 113 2HD ARG 113 10.859 -2.296 -3.398 863 HD3 ARG 113 1HD ARG 113 11.741 -3.488 -2.433 864 HE ARG 113 HE ARG 113 13.535 -1.565 -3.493 865 HH11 ARG 113 1HH1 ARG 113 11.076 -1.818 -0.982 866 HH12 ARG 113 2HH1 ARG 113 11.859 -0.677 0.060 867 HH21 ARG 113 1HH2 ARG 113 14.553 -0.091 -2.093 868 HH22 ARG 113 2HH2 ARG 113 13.833 0.290 -0.563 869 H TYR 114 HN TYR 114 8.390 -3.672 -5.232 870 HA TYR 114 HA TYR 114 7.067 -1.117 -5.204 871 HB2 TYR 114 2HB TYR 114 6.233 -3.891 -4.275 872 HB3 TYR 114 1HB TYR 114 5.197 -2.478 -4.081 873 HD1 TYR 114 HD2 TYR 114 7.103 -4.359 -6.731 874 HD2 TYR 114 HD1 TYR 114 3.741 -1.873 -5.845 875 HE1 TYR 114 HE2 TYR 114 6.341 -4.560 -9.058 876 HE2 TYR 114 HE1 TYR 114 2.987 -2.070 -8.170 877 HH TYR 114 HH TYR 114 3.846 -2.586 -10.375 878 H CYS 115 HN CYS 115 7.852 0.316 -3.848 879 HA CYS 115 HA CYS 115 8.426 -0.393 -1.026 880 HB2 CYS 115 2HB CYS 115 10.245 0.806 -2.174 881 HB3 CYS 115 1HB CYS 115 9.137 2.086 -2.658 882 HG CYS 115 HG CYS 115 8.642 2.904 -0.007 883 H ILE 116 HN ILE 116 6.429 -0.450 -0.117 884 HA ILE 116 HA ILE 116 4.560 1.802 -0.548 885 HB ILE 116 HB ILE 116 3.903 -0.994 0.493 886 HG12 ILE 116 2HG1 ILE 116 4.692 -1.197 -1.835 887 HG13 ILE 116 1HG1 ILE 116 2.960 -1.485 -1.754 888 HG21 ILE 116 1HG2 ILE 116 2.072 1.206 -0.523 889 HG22 ILE 116 2HG2 ILE 116 2.287 0.730 1.162 890 HG23 ILE 116 3HG2 ILE 116 1.565 -0.399 0.015 891 HD11 ILE 116 3HD1 ILE 116 3.536 -0.188 -3.690 892 HD12 ILE 116 1HD1 ILE 116 4.305 1.040 -2.687 893 HD13 ILE 116 2HD1 ILE 116 2.559 0.781 -2.588 894 H ASN 117 HN ASN 117 3.799 2.896 1.250 895 HA ASN 117 HA ASN 117 5.719 2.800 3.450 896 HB2 ASN 117 2HB ASN 117 4.571 5.171 3.868 897 HB3 ASN 117 1HB ASN 117 5.792 4.945 2.630 898 HD21 ASN 117 1HD2 ASN 117 2.316 4.119 2.506 899 HD22 ASN 117 2HD2 ASN 117 1.963 5.151 1.175 900 H SER 118 HN SER 118 5.251 2.129 5.406 901 HA SER 118 HA SER 118 2.756 0.938 6.052 902 HB2 SER 118 2HB SER 118 4.988 0.142 6.893 903 HB3 SER 118 1HB SER 118 5.045 1.539 7.961 904 HG SER 118 HG SER 118 3.012 0.709 8.853 905 H ALA 119 HN ALA 119 3.927 4.141 6.472 906 HA ALA 119 HA ALA 119 2.216 5.009 8.603 907 HB1 ALA 119 3HB ALA 119 2.875 7.275 7.911 908 HB2 ALA 119 1HB ALA 119 3.572 6.628 6.421 909 HB3 ALA 119 2HB ALA 119 4.282 6.209 7.984 910 H ALA 120 HN ALA 120 1.504 3.986 5.519 911 HA ALA 120 HA ALA 120 -1.060 5.463 5.390 912 HB1 ALA 120 3HB ALA 120 0.444 6.135 3.556 913 HB2 ALA 120 1HB ALA 120 -0.955 5.258 2.940 914 HB3 ALA 120 2HB ALA 120 0.611 4.453 3.057 915 H LEU 121 HN LEU 121 0.263 2.493 6.094 916 HA LEU 121 HA LEU 121 -1.719 0.879 4.625 917 HB2 LEU 121 2HB LEU 121 0.869 0.070 5.992 918 HB3 LEU 121 1HB LEU 121 -0.253 -1.071 5.262 919 HG LEU 121 HG LEU 121 1.356 1.065 3.833 920 HD11 LEU 121 1HD1 LEU 121 2.443 -0.800 2.694 921 HD12 LEU 121 2HD1 LEU 121 1.501 -1.955 3.642 922 HD13 LEU 121 3HD1 LEU 121 2.666 -0.890 4.438 923 HD21 LEU 121 3HD2 LEU 121 0.341 0.221 1.737 924 HD22 LEU 121 1HD2 LEU 121 -0.825 0.998 2.799 925 HD23 LEU 121 2HD2 LEU 121 -0.773 -0.762 2.684 926 H ARG 122 HN ARG 122 -2.816 -0.782 5.621 927 HA ARG 122 HA ARG 122 -3.005 -0.876 8.560 928 HB2 ARG 122 2HB ARG 122 -4.775 0.644 7.623 929 HB3 ARG 122 1HB ARG 122 -5.371 -0.674 6.630 930 HG2 ARG 122 2HG ARG 122 -6.052 -1.908 8.627 931 HG3 ARG 122 1HG ARG 122 -5.343 -0.665 9.666 932 HD2 ARG 122 2HD ARG 122 -7.758 -0.355 9.547 933 HD3 ARG 122 1HD ARG 122 -6.950 0.992 8.747 934 HE ARG 122 HE ARG 122 -7.606 0.108 6.634 935 HH11 ARG 122 1HH1 ARG 122 -9.066 -1.595 9.332 936 HH12 ARG 122 2HH1 ARG 122 -10.352 -2.257 8.380 937 HH21 ARG 122 1HH2 ARG 122 -9.309 -0.800 5.389 938 HH22 ARG 122 2HH2 ARG 122 -10.485 -1.815 6.157 939 H PHE 123 HN PHE 123 -2.400 -2.927 8.924 940 HA PHE 123 HA PHE 123 -2.785 -5.093 7.040 941 HB2 PHE 123 2HB PHE 123 -1.788 -5.170 9.936 942 HB3 PHE 123 1HB PHE 123 -1.658 -6.478 8.763 943 HD1 PHE 123 HD1 PHE 123 -0.202 -6.145 6.699 944 HD2 PHE 123 HD2 PHE 123 -0.106 -3.440 10.012 945 HE1 PHE 123 HE1 PHE 123 1.951 -5.255 5.911 946 HE2 PHE 123 HE2 PHE 123 2.049 -2.555 9.221 947 HZ PHE 123 HZ PHE 123 3.077 -3.455 7.165 948 H VAL 124 HN VAL 124 -4.740 -6.089 6.867 949 HA VAL 124 HA VAL 124 -6.642 -5.941 9.140 950 HB VAL 124 HB VAL 124 -7.485 -6.248 6.221 951 HG11 VAL 124 1HG1 VAL 124 -8.996 -5.273 8.678 952 HG12 VAL 124 2HG1 VAL 124 -9.157 -6.866 7.926 953 HG13 VAL 124 3HG1 VAL 124 -9.667 -5.418 7.049 954 HG21 VAL 124 3HG2 VAL 124 -7.939 -3.820 6.119 955 HG22 VAL 124 1HG2 VAL 124 -6.217 -4.156 6.328 956 HG23 VAL 124 2HG2 VAL 124 -7.184 -3.610 7.702 957 HA PRO 125 HA PRO 125 -5.498 -10.397 8.761 958 HB2 PRO 125 2HB PRO 125 -6.892 -10.553 11.415 959 HB3 PRO 125 1HB PRO 125 -5.258 -11.060 10.971 960 HG2 PRO 125 2HG PRO 125 -5.633 -8.881 12.465 961 HG3 PRO 125 1HG PRO 125 -4.370 -8.911 11.212 962 HD2 PRO 125 2HD PRO 125 -7.138 -7.702 11.085 963 HD3 PRO 125 1HD PRO 125 -5.580 -6.993 10.600 964 H LYS 126 HN LYS 126 -6.732 -12.355 8.668 965 HA LYS 126 HA LYS 126 -9.094 -12.279 7.251 966 HB2 LYS 126 2HB LYS 126 -7.443 -14.134 7.298 967 HB3 LYS 126 1HB LYS 126 -7.966 -14.566 8.914 968 HG2 LYS 126 2HG LYS 126 -10.094 -14.555 6.820 969 HG3 LYS 126 1HG LYS 126 -8.845 -15.783 6.631 970 HD2 LYS 126 2HD LYS 126 -10.581 -15.390 9.111 971 HD3 LYS 126 1HD LYS 126 -10.808 -16.636 7.879 972 HE2 LYS 126 2HE LYS 126 -8.581 -17.581 8.443 973 HE3 LYS 126 1HE LYS 126 -8.377 -16.339 9.682 974 HZ1 LYS 126 3HZ LYS 126 -10.255 -17.245 10.861 975 HZ2 LYS 126 1HZ LYS 126 -9.106 -18.450 10.584 976 HZ3 LYS 126 2HZ LYS 126 -10.508 -18.403 9.651 977 H HIS 127 HN HIS 127 -8.702 -12.263 10.716 978 HA HIS 127 HA HIS 127 -11.359 -12.939 11.554 979 HB2 HIS 127 2HB HIS 127 -9.344 -13.008 13.053 980 HB3 HIS 127 1HB HIS 127 -9.250 -11.255 12.997 981 HD1 HIS 127 HD1 HIS 127 -11.153 -9.936 14.275 982 HD2 HIS 127 HD2 HIS 127 -11.158 -14.053 14.852 983 HE1 HIS 127 HE1 HIS 127 -12.621 -10.331 16.270 984 HE2 HIS 127 HE2 HIS 127 -12.422 -12.800 16.720 985 H LYS 128 HN LYS 128 -9.660 -9.924 10.803 986 HA LYS 128 HA LYS 128 -11.863 -8.162 11.514 987 HB2 LYS 128 2HB LYS 128 -9.043 -7.823 10.509 988 HB3 LYS 128 1HB LYS 128 -10.169 -6.539 10.108 989 HG2 LYS 128 2HG LYS 128 -9.695 -7.499 12.932 990 HG3 LYS 128 1HG LYS 128 -8.805 -6.170 12.189 991 HD2 LYS 128 2HD LYS 128 -11.827 -6.267 12.631 992 HD3 LYS 128 1HD LYS 128 -10.674 -5.351 13.606 993 HE2 LYS 128 2HE LYS 128 -10.101 -3.982 11.627 994 HE3 LYS 128 1HE LYS 128 -11.251 -4.907 10.655 995 HZ1 LYS 128 3HZ LYS 128 -11.840 -3.110 12.930 996 HZ2 LYS 128 1HZ LYS 128 -12.985 -4.150 12.255 997 HZ3 LYS 128 2HZ LYS 128 -12.302 -2.924 11.316 998 H LEU 129 HN LEU 129 -10.634 -9.764 8.681 999 HA LEU 129 HA LEU 129 -11.981 -8.235 6.683 1000 HB2 LEU 129 2HB LEU 129 -10.857 -11.047 6.679 1001 HB3 LEU 129 1HB LEU 129 -11.459 -10.225 5.251 1002 HG LEU 129 HG LEU 129 -9.062 -9.336 6.879 1003 HD11 LEU 129 1HD1 LEU 129 -7.722 -10.130 4.968 1004 HD12 LEU 129 2HD1 LEU 129 -9.185 -10.796 4.220 1005 HD13 LEU 129 3HD1 LEU 129 -8.604 -11.436 5.762 1006 HD21 LEU 129 3HD2 LEU 129 -10.119 -8.314 4.233 1007 HD22 LEU 129 1HD2 LEU 129 -8.642 -7.784 5.054 1008 HD23 LEU 129 2HD2 LEU 129 -10.213 -7.480 5.793 1009 H LYS 130 HN LYS 130 -12.886 -10.933 8.725 1010 HA LYS 130 HA LYS 130 -15.287 -11.612 7.248 1011 HB2 LYS 130 2HB LYS 130 -14.091 -13.390 8.450 1012 HB3 LYS 130 1HB LYS 130 -14.235 -12.516 9.969 1013 HG2 LYS 130 2HG LYS 130 -16.652 -12.846 9.984 1014 HG3 LYS 130 1HG LYS 130 -16.595 -13.605 8.393 1015 HD2 LYS 130 2HD LYS 130 -15.268 -14.706 10.901 1016 HD3 LYS 130 1HD LYS 130 -16.823 -15.243 10.263 1017 HE2 LYS 130 2HE LYS 130 -14.153 -15.467 8.826 1018 HE3 LYS 130 1HE LYS 130 -15.006 -16.780 9.638 1019 HZ1 LYS 130 3HZ LYS 130 -16.866 -16.402 8.080 1020 HZ2 LYS 130 1HZ LYS 130 -15.445 -16.911 7.321 1021 HZ3 LYS 130 2HZ LYS 130 -15.906 -15.290 7.241 1022 H GLU 131 HN GLU 131 -14.293 -9.509 9.841 1023 HA GLU 131 HA GLU 131 -16.947 -9.077 10.966 1024 HB2 GLU 131 2HB GLU 131 -14.937 -9.190 12.429 1025 HB3 GLU 131 1HB GLU 131 -14.231 -7.813 11.598 1026 HG2 GLU 131 2HG GLU 131 -15.113 -7.074 13.708 1027 HG3 GLU 131 1HG GLU 131 -16.110 -6.397 12.423 1028 H GLU 132 HN GLU 132 -14.681 -7.532 8.776 1029 HA GLU 132 HA GLU 132 -16.195 -4.988 8.803 1030 HB2 GLU 132 2HB GLU 132 -13.645 -5.129 9.335 1031 HB3 GLU 132 1HB GLU 132 -13.418 -5.377 7.609 1032 HG2 GLU 132 2HG GLU 132 -14.462 -3.192 7.156 1033 HG3 GLU 132 1HG GLU 132 -14.736 -2.961 8.882 1034 H GLY 133 HN GLY 133 -16.625 -7.663 7.168 1035 HA2 GLY 133 2HA GLY 133 -17.857 -8.051 5.309 1036 HA3 GLY 133 1HA GLY 133 -17.937 -6.321 5.040 1037 H TYR 134 HN TYR 134 -14.958 -8.309 5.137 1038 HA TYR 134 HA TYR 134 -14.637 -7.896 2.201 1039 HB2 TYR 134 2HB TYR 134 -12.493 -8.007 4.366 1040 HB3 TYR 134 1HB TYR 134 -12.147 -8.019 2.640 1041 HD1 TYR 134 HD2 TYR 134 -13.306 -6.052 1.265 1042 HD2 TYR 134 HD1 TYR 134 -12.458 -5.887 5.448 1043 HE1 TYR 134 HE2 TYR 134 -13.401 -3.601 1.181 1044 HE2 TYR 134 HE1 TYR 134 -12.563 -3.436 5.357 1045 HH TYR 134 HH TYR 134 -12.250 -1.614 3.585 1046 H GLU 135 HN GLU 135 -16.002 -10.035 3.600 1047 HA GLU 135 HA GLU 135 -14.750 -12.431 4.050 1048 HB2 GLU 135 2HB GLU 135 -17.153 -11.939 4.483 1049 HB3 GLU 135 1HB GLU 135 -17.483 -12.014 2.760 1050 HG2 GLU 135 2HG GLU 135 -18.234 -14.071 3.724 1051 HG3 GLU 135 1HG GLU 135 -16.772 -14.439 2.806 1052 H SER 136 HN SER 136 -15.554 -11.010 0.920 1053 HA SER 136 HA SER 136 -15.191 -13.368 -0.665 1054 HB2 SER 136 2HB SER 136 -15.118 -10.451 -1.523 1055 HB3 SER 136 1HB SER 136 -15.354 -11.846 -2.586 1056 HG SER 136 HG SER 136 -17.091 -11.584 -0.420 1057 H TYR 137 HN TYR 137 -13.088 -10.657 0.292 1058 HA TYR 137 HA TYR 137 -10.914 -11.300 -1.454 1059 HB2 TYR 137 2HB TYR 137 -11.191 -9.371 0.879 1060 HB3 TYR 137 1HB TYR 137 -9.714 -9.516 -0.064 1061 HD1 TYR 137 HD1 TYR 137 -10.275 -9.534 -2.758 1062 HD2 TYR 137 HD2 TYR 137 -12.510 -7.502 0.265 1063 HE1 TYR 137 HE1 TYR 137 -11.093 -7.958 -4.438 1064 HE2 TYR 137 HE2 TYR 137 -13.343 -5.920 -1.425 1065 HH TYR 137 HH TYR 137 -12.992 -6.441 -4.774 1066 H LEU 138 HN LEU 138 -11.871 -12.631 1.551 1067 HA LEU 138 HA LEU 138 -9.437 -13.604 2.583 1068 HB2 LEU 138 2HB LEU 138 -12.223 -14.811 2.572 1069 HB3 LEU 138 1HB LEU 138 -10.883 -15.646 3.338 1070 HG LEU 138 HG LEU 138 -10.601 -13.860 4.971 1071 HD11 LEU 138 1HD1 LEU 138 -11.011 -11.916 3.693 1072 HD12 LEU 138 2HD1 LEU 138 -12.189 -11.928 5.006 1073 HD13 LEU 138 3HD1 LEU 138 -12.677 -12.389 3.376 1074 HD21 LEU 138 3HD2 LEU 138 -13.552 -14.528 4.732 1075 HD22 LEU 138 1HD2 LEU 138 -12.745 -13.878 6.166 1076 HD23 LEU 138 2HD2 LEU 138 -12.327 -15.491 5.574 1077 H HIS 139 HN HIS 139 -11.175 -14.531 -0.281 1078 HA HIS 139 HA HIS 139 -9.983 -16.887 -1.146 1079 HB2 HIS 139 2HB HIS 139 -11.826 -15.775 -2.313 1080 HB3 HIS 139 1HB HIS 139 -10.811 -14.403 -2.700 1081 HD1 HIS 139 HD1 HIS 139 -12.183 -17.328 -4.165 1082 HD2 HIS 139 HD2 HIS 139 -8.600 -15.271 -4.620 1083 HE1 HIS 139 HE1 HIS 139 -11.295 -18.003 -6.415 1084 HE2 HIS 139 HE2 HIS 139 -9.232 -16.606 -6.743 1085 H LEU 140 HN LEU 140 -8.718 -13.543 -1.334 1086 HA LEU 140 HA LEU 140 -6.411 -14.003 -2.887 1087 HB2 LEU 140 2HB LEU 140 -6.909 -11.891 -0.746 1088 HB3 LEU 140 1HB LEU 140 -5.570 -11.851 -1.892 1089 HG LEU 140 HG LEU 140 -8.506 -11.721 -2.678 1090 HD11 LEU 140 1HD1 LEU 140 -8.102 -9.333 -3.105 1091 HD12 LEU 140 2HD1 LEU 140 -6.486 -9.480 -2.406 1092 HD13 LEU 140 3HD1 LEU 140 -7.913 -9.750 -1.401 1093 HD21 LEU 140 3HD2 LEU 140 -5.996 -11.262 -4.332 1094 HD22 LEU 140 1HD2 LEU 140 -7.661 -11.072 -4.891 1095 HD23 LEU 140 2HD2 LEU 140 -7.064 -12.664 -4.435 1096 H PHE 141 HN PHE 141 -6.891 -13.989 0.647 1097 HA PHE 141 HA PHE 141 -4.095 -14.426 1.216 1098 HB2 PHE 141 2HB PHE 141 -5.395 -13.125 2.793 1099 HB3 PHE 141 1HB PHE 141 -6.565 -14.430 2.998 1100 HD1 PHE 141 HD2 PHE 141 -2.817 -14.033 3.195 1101 HD2 PHE 141 HD1 PHE 141 -6.362 -15.585 5.035 1102 HE1 PHE 141 HE2 PHE 141 -1.471 -15.004 4.997 1103 HE2 PHE 141 HE1 PHE 141 -4.996 -16.549 6.831 1104 HZ PHE 141 HZ PHE 141 -2.555 -16.264 6.813 1105 H ASN 142 HN ASN 142 -6.946 -16.482 1.000 1106 HA ASN 142 HA ASN 142 -5.497 -18.777 2.179 1107 HB2 ASN 142 2HB ASN 142 -7.773 -18.162 3.061 1108 HB3 ASN 142 1HB ASN 142 -8.455 -18.470 1.466 1109 HD21 ASN 142 1HD2 ASN 142 -9.760 -20.166 2.032 1110 HD22 ASN 142 2HD2 ASN 142 -9.178 -21.686 2.597 1111 H LYS 143 HN LYS 143 -5.440 -20.817 1.062 1112 HA LYS 143 HA LYS 143 -5.393 -20.684 -1.851 1113 HB2 LYS 143 2HB LYS 143 -3.711 -22.005 -0.379 1114 HB3 LYS 143 1HB LYS 143 -4.991 -23.194 -0.168 1115 HG2 LYS 143 2HG LYS 143 -5.072 -23.468 -2.657 1116 HG3 LYS 143 1HG LYS 143 -3.709 -22.360 -2.790 1117 HD2 LYS 143 2HD LYS 143 -3.708 -25.087 -1.443 1118 HD3 LYS 143 1HD LYS 143 -2.959 -24.679 -2.981 1119 HE2 LYS 143 2HE LYS 143 -1.145 -24.721 -1.508 1120 HE3 LYS 143 1HE LYS 143 -1.523 -23.004 -1.573 1121 HZ1 LYS 143 3HZ LYS 143 -1.098 -23.850 0.681 1122 HZ2 LYS 143 1HZ LYS 143 -2.449 -24.857 0.557 1123 HZ3 LYS 143 2HZ LYS 143 -2.641 -23.178 0.534 1124 H LEU 144 HN LEU 144 -6.731 -22.029 -3.208 1125 HA LEU 144 HA LEU 144 -9.455 -22.138 -2.230 1126 HB2 LEU 144 2HB LEU 144 -8.277 -22.489 -5.007 1127 HB3 LEU 144 1HB LEU 144 -9.987 -22.699 -4.663 1128 HG LEU 144 HG LEU 144 -9.737 -20.497 -5.547 1129 HD11 LEU 144 1HD1 LEU 144 -10.022 -20.235 -2.542 1130 HD12 LEU 144 2HD1 LEU 144 -11.299 -20.650 -3.690 1131 HD13 LEU 144 3HD1 LEU 144 -10.549 -19.058 -3.751 1132 HD21 LEU 144 3HD2 LEU 144 -7.535 -19.963 -3.528 1133 HD22 LEU 144 1HD2 LEU 144 -8.215 -18.785 -4.657 1134 HD23 LEU 144 2HD2 LEU 144 -7.336 -20.185 -5.269 1135 H GLU 145 HN GLU 145 -9.241 -23.712 -0.772 1136 HA GLU 145 HA GLU 145 -10.114 -26.293 -1.575 1137 HB2 GLU 145 2HB GLU 145 -8.298 -27.586 -0.371 1138 HB3 GLU 145 1HB GLU 145 -7.763 -26.826 -1.859 1139 HG2 GLU 145 2HG GLU 145 -6.601 -25.091 -0.645 1140 HG3 GLU 145 1HG GLU 145 -7.254 -25.655 0.890 1141 H HIS 146 HN HIS 146 -11.668 -26.724 -0.103 1142 HA HIS 146 HA HIS 146 -12.092 -24.930 2.075 1143 HB2 HIS 146 2HB HIS 146 -14.005 -25.831 0.820 1144 HB3 HIS 146 1HB HIS 146 -13.624 -27.464 1.349 1145 HD1 HIS 146 HD1 HIS 146 -14.521 -28.190 3.616 1146 HD2 HIS 146 HD2 HIS 146 -14.991 -24.112 2.944 1147 HE1 HIS 146 HE1 HIS 146 -15.945 -27.349 5.506 1148 HE2 HIS 146 HE2 HIS 146 -16.146 -24.870 5.126 1149 H HIS 147 HN HIS 147 -10.873 -25.045 3.856 1150 HA HIS 147 HA HIS 147 -10.295 -27.609 5.189 1151 HB2 HIS 147 2HB HIS 147 -9.102 -24.815 5.522 1152 HB3 HIS 147 1HB HIS 147 -8.719 -26.158 6.595 1153 HD1 HIS 147 HD1 HIS 147 -6.285 -25.318 5.514 1154 HD2 HIS 147 HD2 HIS 147 -8.776 -27.624 3.120 1155 HE1 HIS 147 HE1 HIS 147 -4.792 -26.351 3.794 1156 HE2 HIS 147 HE2 HIS 147 -6.288 -27.888 2.478 Start of MODEL 15 1 H1 MET 1 1H MET 1 -11.525 13.022 22.194 2 H2 MET 1 2H MET 1 -12.414 11.607 22.437 3 H3 MET 1 3H MET 1 -12.417 12.359 20.922 4 HA MET 1 HA MET 1 -10.102 11.910 20.619 5 HB2 MET 1 2HB MET 1 -9.504 11.980 23.042 6 HB3 MET 1 1HB MET 1 -10.280 10.420 23.267 7 HG2 MET 1 2HG MET 1 -8.620 9.413 21.695 8 HG3 MET 1 1HG MET 1 -7.819 10.984 21.587 9 HE1 MET 1 3HE MET 1 -5.339 8.784 23.721 10 HE2 MET 1 1HE MET 1 -5.495 9.814 22.302 11 HE3 MET 1 2HE MET 1 -6.348 8.270 22.370 12 H ALA 2 HN ALA 2 -12.851 10.009 21.654 13 HA ALA 2 HA ALA 2 -12.203 7.496 20.561 14 HB1 ALA 2 3HB ALA 2 -14.096 7.837 22.093 15 HB2 ALA 2 1HB ALA 2 -14.618 7.043 20.602 16 HB3 ALA 2 2HB ALA 2 -14.945 8.762 20.852 17 H TYR 3 HN TYR 3 -11.441 7.352 18.535 18 HA TYR 3 HA TYR 3 -11.977 9.255 16.492 19 HB2 TYR 3 2HB TYR 3 -10.626 6.547 16.133 20 HB3 TYR 3 1HB TYR 3 -10.482 7.949 15.080 21 HD1 TYR 3 HD2 TYR 3 -9.374 10.097 16.094 22 HD2 TYR 3 HD1 TYR 3 -9.064 6.226 17.889 23 HE1 TYR 3 HE2 TYR 3 -7.419 10.848 17.390 24 HE2 TYR 3 HE1 TYR 3 -7.123 6.983 19.187 25 HH TYR 3 HH TYR 3 -5.382 8.690 19.074 26 H ASN 4 HN ASN 4 -14.222 9.218 16.066 27 HA ASN 4 HA ASN 4 -15.511 7.057 14.710 28 HB2 ASN 4 2HB ASN 4 -16.632 9.175 15.611 29 HB3 ASN 4 1HB ASN 4 -15.924 10.054 14.268 30 HD21 ASN 4 1HD2 ASN 4 -18.726 9.687 14.988 31 HD22 ASN 4 2HD2 ASN 4 -19.493 9.000 13.600 32 H LYS 5 HN LYS 5 -15.762 6.990 12.259 33 HA LYS 5 HA LYS 5 -13.131 6.735 11.234 34 HB2 LYS 5 2HB LYS 5 -15.814 6.376 9.874 35 HB3 LYS 5 1HB LYS 5 -14.286 6.147 9.027 36 HG2 LYS 5 2HG LYS 5 -13.678 4.419 10.765 37 HG3 LYS 5 1HG LYS 5 -15.328 4.559 11.398 38 HD2 LYS 5 2HD LYS 5 -16.232 3.818 9.228 39 HD3 LYS 5 1HD LYS 5 -14.606 3.775 8.537 40 HE2 LYS 5 2HE LYS 5 -13.991 1.987 10.156 41 HE3 LYS 5 1HE LYS 5 -15.640 2.014 10.791 42 HZ1 LYS 5 3HZ LYS 5 -16.436 1.391 8.593 43 HZ2 LYS 5 1HZ LYS 5 -15.352 0.244 9.204 44 HZ3 LYS 5 2HZ LYS 5 -14.853 1.335 8.017 45 H GLU 6 HN GLU 6 -15.703 9.181 10.611 46 HA GLU 6 HA GLU 6 -14.485 10.308 8.310 47 HB2 GLU 6 2HB GLU 6 -16.396 11.692 10.235 48 HB3 GLU 6 1HB GLU 6 -16.091 12.132 8.558 49 HG2 GLU 6 2HG GLU 6 -17.121 10.001 7.834 50 HG3 GLU 6 1HG GLU 6 -17.435 9.588 9.518 51 H GLU 7 HN GLU 7 -14.653 11.525 11.693 52 HA GLU 7 HA GLU 7 -12.934 13.700 11.478 53 HB2 GLU 7 2HB GLU 7 -12.691 13.639 13.901 54 HB3 GLU 7 1HB GLU 7 -14.354 13.245 13.475 55 HG2 GLU 7 2HG GLU 7 -13.968 10.890 13.896 56 HG3 GLU 7 1HG GLU 7 -12.249 11.164 14.137 57 H LYS 8 HN LYS 8 -12.139 10.351 11.648 58 HA LYS 8 HA LYS 8 -9.343 10.729 12.405 59 HB2 LYS 8 2HB LYS 8 -10.509 8.621 13.062 60 HB3 LYS 8 1HB LYS 8 -10.715 8.210 11.357 61 HG2 LYS 8 2HG LYS 8 -8.237 8.135 11.091 62 HG3 LYS 8 1HG LYS 8 -8.051 8.520 12.803 63 HD2 LYS 8 2HD LYS 8 -7.744 6.145 12.509 64 HD3 LYS 8 1HD LYS 8 -9.266 6.404 13.366 65 HE2 LYS 8 2HE LYS 8 -10.511 6.043 11.256 66 HE3 LYS 8 1HE LYS 8 -8.987 5.808 10.392 67 HZ1 LYS 8 3HZ LYS 8 -10.020 3.716 10.982 68 HZ2 LYS 8 1HZ LYS 8 -9.986 4.127 12.621 69 HZ3 LYS 8 2HZ LYS 8 -8.539 3.891 11.777 70 H ILE 9 HN ILE 9 -11.260 9.978 9.525 71 HA ILE 9 HA ILE 9 -9.184 9.419 7.720 72 HB ILE 9 HB ILE 9 -12.094 10.213 7.327 73 HG12 ILE 9 2HG1 ILE 9 -11.700 7.924 8.125 74 HG13 ILE 9 1HG1 ILE 9 -12.326 7.877 6.485 75 HG21 ILE 9 1HG2 ILE 9 -11.934 9.745 4.909 76 HG22 ILE 9 2HG2 ILE 9 -10.180 9.612 5.048 77 HG23 ILE 9 3HG2 ILE 9 -10.975 11.153 5.368 78 HD11 ILE 9 3HD1 ILE 9 -10.570 6.234 6.858 79 HD12 ILE 9 1HD1 ILE 9 -9.436 7.518 7.275 80 HD13 ILE 9 2HD1 ILE 9 -10.090 7.411 5.637 81 H LYS 10 HN LYS 10 -10.908 12.486 8.413 82 HA LYS 10 HA LYS 10 -9.952 13.993 6.268 83 HB2 LYS 10 2HB LYS 10 -10.679 15.037 9.036 84 HB3 LYS 10 1HB LYS 10 -10.581 16.000 7.565 85 HG2 LYS 10 2HG LYS 10 -12.576 13.790 8.130 86 HG3 LYS 10 1HG LYS 10 -12.904 15.523 8.163 87 HD2 LYS 10 2HD LYS 10 -12.376 15.627 5.711 88 HD3 LYS 10 1HD LYS 10 -12.139 13.876 5.710 89 HE2 LYS 10 2HE LYS 10 -14.375 14.418 4.883 90 HE3 LYS 10 1HE LYS 10 -14.500 13.573 6.427 91 HZ1 LYS 10 3HZ LYS 10 -14.766 16.501 5.989 92 HZ2 LYS 10 1HZ LYS 10 -14.796 15.748 7.500 93 HZ3 LYS 10 2HZ LYS 10 -16.010 15.422 6.374 94 H SER 11 HN SER 11 -8.645 13.765 9.573 95 HA SER 11 HA SER 11 -6.376 15.449 9.175 96 HB2 SER 11 2HB SER 11 -7.242 15.026 11.446 97 HB3 SER 11 1HB SER 11 -6.918 13.302 11.280 98 HG SER 11 HG SER 11 -4.794 13.654 11.485 99 H LEU 12 HN LEU 12 -6.765 11.919 9.351 100 HA LEU 12 HA LEU 12 -4.297 10.934 8.838 101 HB2 LEU 12 2HB LEU 12 -6.281 9.636 9.419 102 HB3 LEU 12 1HB LEU 12 -7.012 10.017 7.874 103 HG LEU 12 HG LEU 12 -5.039 8.707 6.820 104 HD11 LEU 12 1HD1 LEU 12 -4.801 7.636 9.644 105 HD12 LEU 12 2HD1 LEU 12 -3.583 8.569 8.765 106 HD13 LEU 12 3HD1 LEU 12 -4.032 6.963 8.201 107 HD21 LEU 12 3HD2 LEU 12 -7.152 7.244 8.414 108 HD22 LEU 12 1HD2 LEU 12 -6.238 6.605 7.044 109 HD23 LEU 12 2HD2 LEU 12 -7.348 7.948 6.806 110 H ASN 13 HN ASN 13 -6.611 12.120 6.427 111 HA ASN 13 HA ASN 13 -5.410 11.070 4.102 112 HB2 ASN 13 2HB ASN 13 -7.394 13.294 4.598 113 HB3 ASN 13 1HB ASN 13 -6.732 13.074 2.985 114 HD21 ASN 13 1HD2 ASN 13 -7.344 10.304 5.114 115 HD22 ASN 13 2HD2 ASN 13 -8.692 9.713 4.214 116 H ARG 14 HN ARG 14 -4.878 14.026 5.911 117 HA ARG 14 HA ARG 14 -3.213 15.376 4.035 118 HB2 ARG 14 2HB ARG 14 -3.456 15.592 7.065 119 HB3 ARG 14 1HB ARG 14 -2.401 16.634 6.115 120 HG2 ARG 14 2HG ARG 14 -5.422 16.472 5.859 121 HG3 ARG 14 1HG ARG 14 -4.509 17.753 6.666 122 HD2 ARG 14 2HD ARG 14 -4.540 17.083 3.708 123 HD3 ARG 14 1HD ARG 14 -5.131 18.554 4.482 124 HE ARG 14 HE ARG 14 -2.267 17.794 4.404 125 HH11 ARG 14 1HH1 ARG 14 -4.715 20.297 4.115 126 HH12 ARG 14 2HH1 ARG 14 -3.558 21.534 3.746 127 HH21 ARG 14 1HH2 ARG 14 -0.785 19.402 3.921 128 HH22 ARG 14 2HH2 ARG 14 -1.327 21.022 3.632 129 H MET 15 HN MET 15 -2.578 12.988 6.599 130 HA MET 15 HA MET 15 0.279 13.411 6.546 131 HB2 MET 15 2HB MET 15 -0.989 12.782 8.637 132 HB3 MET 15 1HB MET 15 -1.252 11.179 7.951 133 HG2 MET 15 2HG MET 15 0.667 11.261 9.529 134 HG3 MET 15 1HG MET 15 1.151 10.768 7.899 135 HE1 MET 15 3HE MET 15 3.487 11.641 9.701 136 HE2 MET 15 1HE MET 15 4.317 12.826 8.700 137 HE3 MET 15 2HE MET 15 3.666 11.359 7.972 138 H GLN 16 HN GLN 16 -1.871 10.667 5.723 139 HA GLN 16 HA GLN 16 -0.042 8.940 4.518 140 HB2 GLN 16 2HB GLN 16 -2.955 9.317 3.691 141 HB3 GLN 16 1HB GLN 16 -1.948 7.916 3.330 142 HG2 GLN 16 2HG GLN 16 -1.796 7.577 5.863 143 HG3 GLN 16 1HG GLN 16 -3.086 8.775 5.993 144 HE21 GLN 16 1HE2 GLN 16 -3.171 5.949 6.723 145 HE22 GLN 16 2HE2 GLN 16 -4.415 5.230 5.781 146 H TYR 17 HN TYR 17 -1.506 11.862 3.313 147 HA TYR 17 HA TYR 17 -0.901 11.378 0.506 148 HB2 TYR 17 2HB TYR 17 -2.802 12.903 1.179 149 HB3 TYR 17 1HB TYR 17 -1.619 14.055 1.797 150 HD1 TYR 17 HD1 TYR 17 -2.670 12.246 -1.306 151 HD2 TYR 17 HD2 TYR 17 -0.606 15.646 0.278 152 HE1 TYR 17 HE1 TYR 17 -2.402 13.149 -3.571 153 HE2 TYR 17 HE2 TYR 17 -0.357 16.550 -1.994 154 HH TYR 17 HH TYR 17 -2.060 15.440 -4.631 155 H GLU 18 HN GLU 18 0.387 13.355 3.176 156 HA GLU 18 HA GLU 18 2.365 14.671 1.612 157 HB2 GLU 18 2HB GLU 18 1.370 15.453 3.863 158 HB3 GLU 18 1HB GLU 18 2.494 14.338 4.631 159 HG2 GLU 18 2HG GLU 18 3.423 16.582 4.649 160 HG3 GLU 18 1HG GLU 18 4.395 15.544 3.610 161 H VAL 19 HN VAL 19 2.347 11.635 3.393 162 HA VAL 19 HA VAL 19 5.183 11.243 3.429 163 HB VAL 19 HB VAL 19 2.911 9.231 3.707 164 HG11 VAL 19 1HG1 VAL 19 4.943 8.086 2.868 165 HG12 VAL 19 2HG1 VAL 19 4.582 7.616 4.533 166 HG13 VAL 19 3HG1 VAL 19 5.881 8.775 4.198 167 HG21 VAL 19 3HG2 VAL 19 3.031 10.860 5.540 168 HG22 VAL 19 1HG2 VAL 19 4.746 10.505 5.771 169 HG23 VAL 19 2HG2 VAL 19 3.532 9.266 6.112 170 H THR 20 HN THR 20 2.627 9.759 1.317 171 HA THR 20 HA THR 20 4.464 8.659 -0.532 172 HB THR 20 HB THR 20 2.098 7.887 -0.362 173 HG1 THR 20 HG1 THR 20 1.806 8.055 -2.864 174 HG21 THR 20 3HG2 THR 20 0.299 9.086 -1.556 175 HG22 THR 20 1HG2 THR 20 1.399 10.423 -1.896 176 HG23 THR 20 2HG2 THR 20 0.933 10.065 -0.230 177 H GLN 21 HN GLN 21 3.269 11.924 -0.241 178 HA GLN 21 HA GLN 21 3.728 12.755 -2.994 179 HB2 GLN 21 2HB GLN 21 1.970 13.709 -1.378 180 HB3 GLN 21 1HB GLN 21 3.271 14.550 -0.560 181 HG2 GLN 21 2HG GLN 21 2.618 14.953 -3.488 182 HG3 GLN 21 1HG GLN 21 1.848 15.879 -2.210 183 HE21 GLN 21 1HE2 GLN 21 3.150 17.312 -0.950 184 HE22 GLN 21 2HE2 GLN 21 4.596 17.982 -1.624 185 H ASN 22 HN ASN 22 5.269 13.211 0.158 186 HA ASN 22 HA ASN 22 7.496 14.764 -0.923 187 HB2 ASN 22 2HB ASN 22 6.459 15.339 1.301 188 HB3 ASN 22 1HB ASN 22 6.982 13.785 1.936 189 HD21 ASN 22 1HD2 ASN 22 8.724 16.138 -0.107 190 HD22 ASN 22 2HD2 ASN 22 10.002 16.406 1.020 191 H ASN 23 HN ASN 23 6.663 11.488 -0.365 192 HA ASN 23 HA ASN 23 7.727 9.505 -0.366 193 HB2 ASN 23 2HB ASN 23 9.940 11.171 -1.635 194 HB3 ASN 23 1HB ASN 23 10.120 9.442 -1.360 195 HD21 ASN 23 1HD2 ASN 23 8.226 11.876 -3.100 196 HD22 ASN 23 2HD2 ASN 23 7.654 10.798 -4.324 197 H GLY 24 HN GLY 24 7.510 10.981 1.917 198 HA2 GLY 24 2HA GLY 24 10.042 11.034 3.361 199 HA3 GLY 24 1HA GLY 24 8.506 11.702 3.886 200 H THR 25 HN THR 25 9.823 10.473 5.703 201 HA THR 25 HA THR 25 8.622 7.811 6.088 202 HB THR 25 HB THR 25 11.003 7.889 6.662 203 HG1 THR 25 HG1 THR 25 9.401 7.757 9.032 204 HG21 THR 25 3HG2 THR 25 10.315 10.046 8.702 205 HG22 THR 25 1HG2 THR 25 11.264 10.278 7.237 206 HG23 THR 25 2HG2 THR 25 11.881 9.246 8.534 207 H GLU 26 HN GLU 26 7.116 7.452 7.709 208 HA GLU 26 HA GLU 26 5.726 9.763 8.818 209 HB2 GLU 26 2HB GLU 26 3.933 8.142 9.335 210 HB3 GLU 26 1HB GLU 26 4.368 8.069 7.636 211 HG2 GLU 26 2HG GLU 26 5.342 6.061 9.712 212 HG3 GLU 26 1HG GLU 26 3.881 5.848 8.752 213 HA PRO 27 HA PRO 27 7.166 9.044 13.071 214 HB2 PRO 27 2HB PRO 27 4.289 8.846 13.940 215 HB3 PRO 27 1HB PRO 27 5.584 9.878 14.562 216 HG2 PRO 27 2HG PRO 27 3.677 10.911 13.022 217 HG3 PRO 27 1HG PRO 27 5.367 11.429 12.830 218 HD2 PRO 27 2HD PRO 27 3.770 9.507 11.133 219 HD3 PRO 27 1HD PRO 27 4.916 10.772 10.634 220 HA PRO 28 HA PRO 28 6.749 4.515 13.066 221 HB2 PRO 28 2HB PRO 28 8.764 3.904 14.776 222 HB3 PRO 28 1HB PRO 28 9.090 4.515 13.146 223 HG2 PRO 28 2HG PRO 28 9.049 6.022 15.761 224 HG3 PRO 28 1HG PRO 28 10.260 6.078 14.464 225 HD2 PRO 28 2HD PRO 28 8.297 7.965 14.707 226 HD3 PRO 28 1HD PRO 28 8.961 7.485 13.128 227 H PHE 29 HN PHE 29 6.290 6.628 15.782 228 HA PHE 29 HA PHE 29 5.458 4.577 17.649 229 HB2 PHE 29 2HB PHE 29 5.029 6.377 19.234 230 HB3 PHE 29 1HB PHE 29 6.600 6.602 18.491 231 HD1 PHE 29 HD2 PHE 29 3.167 7.964 18.779 232 HD2 PHE 29 HD1 PHE 29 7.046 8.578 17.080 233 HE1 PHE 29 HE2 PHE 29 2.581 10.304 18.283 234 HE2 PHE 29 HE1 PHE 29 6.455 10.921 16.600 235 HZ PHE 29 HZ PHE 29 4.227 11.785 17.202 236 H GLN 30 HN GLN 30 3.971 5.433 14.939 237 HA GLN 30 HA GLN 30 1.257 5.771 15.696 238 HB2 GLN 30 2HB GLN 30 0.704 4.951 13.440 239 HB3 GLN 30 1HB GLN 30 2.008 6.127 13.381 240 HG2 GLN 30 2HG GLN 30 3.649 4.301 13.067 241 HG3 GLN 30 1HG GLN 30 2.349 3.112 13.154 242 HE21 GLN 30 1HE2 GLN 30 2.762 2.323 11.059 243 HE22 GLN 30 2HE2 GLN 30 2.393 3.232 9.638 244 H ASN 31 HN ASN 31 3.381 2.968 15.545 245 HA ASN 31 HA ASN 31 1.394 1.410 17.122 246 HB2 ASN 31 2HB ASN 31 3.829 0.416 15.549 247 HB3 ASN 31 1HB ASN 31 2.872 -0.599 16.624 248 HD21 ASN 31 1HD2 ASN 31 3.395 -0.920 13.788 249 HD22 ASN 31 2HD2 ASN 31 1.852 -0.966 13.013 250 H GLU 32 HN GLU 32 2.163 0.564 19.145 251 HA GLU 32 HA GLU 32 3.696 2.514 20.552 252 HB2 GLU 32 2HB GLU 32 2.636 -0.189 21.499 253 HB3 GLU 32 1HB GLU 32 3.372 1.010 22.554 254 HG2 GLU 32 2HG GLU 32 1.000 1.163 22.800 255 HG3 GLU 32 1HG GLU 32 1.557 2.608 21.963 256 H TYR 33 HN TYR 33 4.268 -1.011 20.262 257 HA TYR 33 HA TYR 33 7.202 -0.516 20.230 258 HB2 TYR 33 2HB TYR 33 5.676 -2.838 21.501 259 HB3 TYR 33 1HB TYR 33 7.432 -2.771 21.340 260 HD1 TYR 33 HD2 TYR 33 8.705 -0.917 22.540 261 HD2 TYR 33 HD1 TYR 33 4.586 -1.729 23.363 262 HE1 TYR 33 HE2 TYR 33 8.885 0.308 24.665 263 HE2 TYR 33 HE1 TYR 33 4.766 -0.492 25.482 264 HH TYR 33 HH TYR 33 7.418 1.487 26.259 265 H TRP 34 HN TRP 34 5.211 -0.675 18.053 266 HA TRP 34 HA TRP 34 4.760 -1.619 16.041 267 HB2 TRP 34 2HB TRP 34 7.606 -2.693 16.266 268 HB3 TRP 34 1HB TRP 34 6.685 -2.520 14.772 269 HD1 TRP 34 HD1 TRP 34 6.167 0.079 13.970 270 HE1 TRP 34 HE1 TRP 34 7.501 2.229 14.379 271 HE3 TRP 34 HE3 TRP 34 9.114 -1.508 17.850 272 HZ2 TRP 34 HZ2 TRP 34 9.525 3.149 16.123 273 HZ3 TRP 34 HZ3 TRP 34 10.720 0.077 18.835 274 HH2 TRP 34 HH2 TRP 34 10.919 2.359 17.982 275 H ASP 35 HN ASP 35 4.199 -3.109 18.474 276 HA ASP 35 HA ASP 35 4.653 -5.916 18.167 277 HB2 ASP 35 2HB ASP 35 3.116 -6.072 20.143 278 HB3 ASP 35 1HB ASP 35 4.421 -4.920 20.381 279 H HIS 36 HN HIS 36 2.404 -3.751 16.843 280 HA HIS 36 HA HIS 36 0.235 -5.632 16.448 281 HB2 HIS 36 2HB HIS 36 0.671 -2.769 15.503 282 HB3 HIS 36 1HB HIS 36 -0.787 -3.700 15.195 283 HD1 HIS 36 HD1 HIS 36 -2.418 -4.055 17.144 284 HD2 HIS 36 HD2 HIS 36 0.923 -1.788 18.130 285 HE1 HIS 36 HE1 HIS 36 -2.945 -3.015 19.369 286 HE2 HIS 36 HE2 HIS 36 -0.862 -1.742 19.999 287 H LYS 37 HN LYS 37 1.068 -7.293 15.187 288 HA LYS 37 HA LYS 37 1.530 -6.689 12.324 289 HB2 LYS 37 2HB LYS 37 2.787 -9.042 13.817 290 HB3 LYS 37 1HB LYS 37 2.966 -8.683 12.112 291 HG2 LYS 37 2HG LYS 37 4.985 -7.939 12.916 292 HG3 LYS 37 1HG LYS 37 4.056 -6.443 12.973 293 HD2 LYS 37 2HD LYS 37 5.389 -6.756 15.019 294 HD3 LYS 37 1HD LYS 37 3.662 -6.761 15.385 295 HE2 LYS 37 2HE LYS 37 3.706 -9.233 15.504 296 HE3 LYS 37 1HE LYS 37 5.431 -9.224 15.126 297 HZ1 LYS 37 3HZ LYS 37 5.811 -7.982 17.165 298 HZ2 LYS 37 1HZ LYS 37 5.063 -9.461 17.475 299 HZ3 LYS 37 2HZ LYS 37 4.158 -8.034 17.523 300 H GLU 38 HN GLU 38 -0.992 -6.986 13.296 301 HA GLU 38 HA GLU 38 -1.942 -9.694 13.169 302 HB2 GLU 38 2HB GLU 38 -3.410 -7.029 13.036 303 HB3 GLU 38 1HB GLU 38 -4.222 -8.586 13.032 304 HG2 GLU 38 2HG GLU 38 -4.330 -7.750 15.259 305 HG3 GLU 38 1HG GLU 38 -3.182 -9.087 15.263 306 H GLU 39 HN GLU 39 -1.565 -10.782 11.302 307 HA GLU 39 HA GLU 39 -1.446 -9.325 8.762 308 HB2 GLU 39 2HB GLU 39 -0.475 -12.099 9.543 309 HB3 GLU 39 1HB GLU 39 -0.189 -11.330 7.988 310 HG2 GLU 39 2HG GLU 39 1.235 -9.675 8.976 311 HG3 GLU 39 1HG GLU 39 0.802 -10.186 10.604 312 H GLY 40 HN GLY 40 -3.894 -9.387 8.147 313 HA2 GLY 40 2HA GLY 40 -4.038 -11.833 6.504 314 HA3 GLY 40 1HA GLY 40 -5.413 -10.846 6.994 315 H LEU 41 HN LEU 41 -4.987 -8.328 6.319 316 HA LEU 41 HA LEU 41 -3.790 -8.221 3.606 317 HB2 LEU 41 2HB LEU 41 -6.484 -7.146 4.522 318 HB3 LEU 41 1HB LEU 41 -5.687 -6.531 3.083 319 HG LEU 41 HG LEU 41 -6.443 -9.456 3.440 320 HD11 LEU 41 1HD1 LEU 41 -7.956 -7.351 1.876 321 HD12 LEU 41 2HD1 LEU 41 -8.450 -8.006 3.441 322 HD13 LEU 41 3HD1 LEU 41 -8.365 -9.067 2.034 323 HD21 LEU 41 3HD2 LEU 41 -5.620 -7.899 0.961 324 HD22 LEU 41 1HD2 LEU 41 -6.154 -9.583 0.983 325 HD23 LEU 41 2HD2 LEU 41 -4.657 -9.122 1.795 326 H TYR 42 HN TYR 42 -3.117 -6.155 2.918 327 HA TYR 42 HA TYR 42 -2.808 -4.001 4.914 328 HB2 TYR 42 2HB TYR 42 -1.114 -4.765 2.494 329 HB3 TYR 42 1HB TYR 42 -1.070 -3.132 3.147 330 HD1 TYR 42 HD1 TYR 42 -0.901 -3.249 5.940 331 HD2 TYR 42 HD2 TYR 42 0.772 -6.021 3.139 332 HE1 TYR 42 HE1 TYR 42 0.821 -3.856 7.576 333 HE2 TYR 42 HE2 TYR 42 2.485 -6.631 4.790 334 HH TYR 42 HH TYR 42 3.587 -5.527 6.784 335 H VAL 43 HN VAL 43 -4.160 -2.323 4.537 336 HA VAL 43 HA VAL 43 -5.191 -1.848 1.792 337 HB VAL 43 HB VAL 43 -7.435 -1.462 2.591 338 HG11 VAL 43 1HG1 VAL 43 -6.836 -3.842 2.206 339 HG12 VAL 43 2HG1 VAL 43 -8.140 -3.664 3.381 340 HG13 VAL 43 3HG1 VAL 43 -6.500 -4.031 3.930 341 HG21 VAL 43 3HG2 VAL 43 -7.001 -0.365 4.735 342 HG22 VAL 43 1HG2 VAL 43 -6.444 -1.888 5.434 343 HG23 VAL 43 2HG2 VAL 43 -8.138 -1.697 4.968 344 H ASP 44 HN ASP 44 -5.431 0.407 1.240 345 HA ASP 44 HA ASP 44 -4.112 2.288 3.026 346 HB2 ASP 44 2HB ASP 44 -4.540 3.989 1.230 347 HB3 ASP 44 1HB ASP 44 -3.625 2.597 0.672 348 H ILE 45 HN ILE 45 -5.159 3.231 4.609 349 HA ILE 45 HA ILE 45 -7.853 2.765 5.210 350 HB ILE 45 HB ILE 45 -6.450 5.176 6.402 351 HG12 ILE 45 2HG1 ILE 45 -5.910 2.297 7.240 352 HG13 ILE 45 1HG1 ILE 45 -4.786 3.302 6.338 353 HG21 ILE 45 1HG2 ILE 45 -7.645 4.507 8.468 354 HG22 ILE 45 2HG2 ILE 45 -8.331 3.111 7.633 355 HG23 ILE 45 3HG2 ILE 45 -8.769 4.743 7.130 356 HD11 ILE 45 3HD1 ILE 45 -4.159 3.217 8.657 357 HD12 ILE 45 1HD1 ILE 45 -5.748 3.793 9.155 358 HD13 ILE 45 2HD1 ILE 45 -4.667 4.853 8.247 359 H VAL 46 HN VAL 46 -6.463 5.475 3.416 360 HA VAL 46 HA VAL 46 -8.492 7.380 3.459 361 HB VAL 46 HB VAL 46 -7.790 7.863 0.949 362 HG11 VAL 46 1HG1 VAL 46 -5.855 8.106 3.263 363 HG12 VAL 46 2HG1 VAL 46 -7.049 9.283 2.736 364 HG13 VAL 46 3HG1 VAL 46 -5.661 8.926 1.714 365 HG21 VAL 46 3HG2 VAL 46 -6.800 5.635 0.495 366 HG22 VAL 46 1HG2 VAL 46 -5.587 5.918 1.749 367 HG23 VAL 46 2HG2 VAL 46 -5.607 6.922 0.297 368 H SER 47 HN SER 47 -8.459 4.384 1.624 369 HA SER 47 HA SER 47 -11.195 4.941 0.577 370 HB2 SER 47 2HB SER 47 -9.441 4.927 -1.199 371 HB3 SER 47 1HB SER 47 -8.971 3.297 -0.726 372 HG SER 47 HG SER 47 -10.353 3.140 -2.445 373 H GLY 48 HN GLY 48 -9.266 2.998 2.560 374 HA2 GLY 48 2HA GLY 48 -9.432 0.914 3.538 375 HA3 GLY 48 1HA GLY 48 -11.131 0.900 3.081 376 H LYS 49 HN LYS 49 -8.493 1.309 0.796 377 HA LYS 49 HA LYS 49 -9.622 -0.818 -0.852 378 HB2 LYS 49 2HB LYS 49 -9.280 1.353 -1.897 379 HB3 LYS 49 1HB LYS 49 -7.585 1.358 -1.442 380 HG2 LYS 49 2HG LYS 49 -7.817 0.874 -3.813 381 HG3 LYS 49 1HG LYS 49 -7.151 -0.525 -2.970 382 HD2 LYS 49 2HD LYS 49 -8.820 -1.229 -4.631 383 HD3 LYS 49 1HD LYS 49 -9.378 -1.613 -3.004 384 HE2 LYS 49 2HE LYS 49 -10.858 0.354 -3.038 385 HE3 LYS 49 1HE LYS 49 -10.257 0.793 -4.637 386 HZ1 LYS 49 3HZ LYS 49 -11.777 -1.653 -3.941 387 HZ2 LYS 49 1HZ LYS 49 -11.129 -1.320 -5.467 388 HZ3 LYS 49 2HZ LYS 49 -12.340 -0.332 -4.824 389 HA PRO 50 HA PRO 50 -6.294 -3.556 0.587 390 HB2 PRO 50 2HB PRO 50 -6.986 -5.736 -0.907 391 HB3 PRO 50 1HB PRO 50 -7.862 -5.256 0.551 392 HG2 PRO 50 2HG PRO 50 -8.527 -4.621 -2.338 393 HG3 PRO 50 1HG PRO 50 -9.588 -5.291 -1.077 394 HD2 PRO 50 2HD PRO 50 -9.649 -2.674 -1.649 395 HD3 PRO 50 1HD PRO 50 -9.768 -3.226 0.043 396 H LEU 51 HN LEU 51 -4.281 -3.618 -0.090 397 HA LEU 51 HA LEU 51 -3.623 -3.250 -2.952 398 HB2 LEU 51 2HB LEU 51 -2.008 -2.439 -0.507 399 HB3 LEU 51 1HB LEU 51 -1.620 -2.074 -2.186 400 HG LEU 51 HG LEU 51 -4.009 -1.016 -0.637 401 HD11 LEU 51 1HD1 LEU 51 -1.517 0.431 -1.559 402 HD12 LEU 51 2HD1 LEU 51 -1.916 -0.024 0.099 403 HD13 LEU 51 3HD1 LEU 51 -2.912 1.156 -0.751 404 HD21 LEU 51 3HD2 LEU 51 -3.178 -0.441 -3.506 405 HD22 LEU 51 1HD2 LEU 51 -4.465 0.386 -2.621 406 HD23 LEU 51 2HD2 LEU 51 -4.612 -1.330 -2.985 407 H PHE 52 HN PHE 52 -3.166 -5.270 -0.163 408 HA PHE 52 HA PHE 52 -1.913 -7.363 -1.637 409 HB2 PHE 52 2HB PHE 52 0.042 -5.745 -1.409 410 HB3 PHE 52 1HB PHE 52 -0.055 -5.936 0.334 411 HD1 PHE 52 HD1 PHE 52 -0.288 -8.554 -2.352 412 HD2 PHE 52 HD2 PHE 52 2.004 -6.958 0.880 413 HE1 PHE 52 HE1 PHE 52 1.285 -10.430 -2.533 414 HE2 PHE 52 HE2 PHE 52 3.567 -8.836 0.687 415 HZ PHE 52 HZ PHE 52 3.205 -10.570 -1.014 416 H THR 53 HN THR 53 -1.279 -9.212 -0.160 417 HA THR 53 HA THR 53 -2.915 -9.443 2.227 418 HB THR 53 HB THR 53 -0.878 -11.317 0.908 419 HG1 THR 53 HG1 THR 53 -2.722 -12.325 0.068 420 HG21 THR 53 3HG2 THR 53 -1.858 -13.139 2.221 421 HG22 THR 53 1HG2 THR 53 -2.941 -12.008 3.033 422 HG23 THR 53 2HG2 THR 53 -1.199 -11.908 3.301 423 H SER 54 HN SER 54 -2.143 -9.227 4.356 424 HA SER 54 HA SER 54 0.535 -8.280 4.813 425 HB2 SER 54 2HB SER 54 -1.402 -7.356 6.049 426 HB3 SER 54 1HB SER 54 -1.656 -8.920 6.819 427 HG SER 54 HG SER 54 0.828 -8.401 7.301 428 H LYS 55 HN LYS 55 -1.035 -11.394 5.061 429 HA LYS 55 HA LYS 55 0.889 -12.731 6.672 430 HB2 LYS 55 2HB LYS 55 -1.225 -13.814 6.275 431 HB3 LYS 55 1HB LYS 55 -1.018 -13.748 4.526 432 HG2 LYS 55 2HG LYS 55 0.794 -15.404 4.650 433 HG3 LYS 55 1HG LYS 55 0.670 -15.436 6.413 434 HD2 LYS 55 2HD LYS 55 -1.586 -16.373 6.272 435 HD3 LYS 55 1HD LYS 55 -1.567 -16.228 4.512 436 HE2 LYS 55 2HE LYS 55 -1.155 -18.543 5.165 437 HE3 LYS 55 1HE LYS 55 0.294 -17.878 4.416 438 HZ1 LYS 55 3HZ LYS 55 1.236 -17.552 6.604 439 HZ2 LYS 55 1HZ LYS 55 0.796 -19.170 6.391 440 HZ3 LYS 55 2HZ LYS 55 -0.163 -18.147 7.334 441 H ASP 56 HN ASP 56 0.746 -12.016 3.225 442 HA ASP 56 HA ASP 56 3.251 -13.414 2.622 443 HB2 ASP 56 2HB ASP 56 1.202 -11.959 0.896 444 HB3 ASP 56 1HB ASP 56 2.719 -12.589 0.253 445 H LYS 57 HN LYS 57 3.192 -11.059 4.383 446 HA LYS 57 HA LYS 57 4.261 -8.775 3.027 447 HB2 LYS 57 2HB LYS 57 3.102 -8.432 5.109 448 HB3 LYS 57 1HB LYS 57 4.044 -9.651 5.932 449 HG2 LYS 57 2HG LYS 57 5.463 -7.175 4.967 450 HG3 LYS 57 1HG LYS 57 4.401 -7.044 6.369 451 HD2 LYS 57 2HD LYS 57 6.879 -8.796 6.089 452 HD3 LYS 57 1HD LYS 57 6.660 -7.411 7.161 453 HE2 LYS 57 2HE LYS 57 5.161 -10.056 7.376 454 HE3 LYS 57 1HE LYS 57 6.529 -9.570 8.372 455 HZ1 LYS 57 3HZ LYS 57 3.922 -8.146 8.273 456 HZ2 LYS 57 1HZ LYS 57 5.232 -7.777 9.276 457 HZ3 LYS 57 2HZ LYS 57 4.394 -9.234 9.479 458 H PHE 58 HN PHE 58 6.358 -8.292 2.640 459 HA PHE 58 HA PHE 58 8.425 -10.340 3.115 460 HB2 PHE 58 2HB PHE 58 7.960 -9.477 0.770 461 HB3 PHE 58 1HB PHE 58 8.443 -7.871 1.294 462 HD1 PHE 58 HD2 PHE 58 9.621 -11.255 0.398 463 HD2 PHE 58 HD1 PHE 58 10.845 -7.352 1.659 464 HE1 PHE 58 HE2 PHE 58 11.941 -11.764 -0.242 465 HE2 PHE 58 HE1 PHE 58 13.155 -7.878 1.007 466 HZ PHE 58 HZ PHE 58 13.706 -10.079 0.056 467 H ASP 59 HN ASP 59 10.246 -9.782 4.335 468 HA ASP 59 HA ASP 59 9.490 -8.494 6.664 469 HB2 ASP 59 2HB ASP 59 11.143 -10.317 6.587 470 HB3 ASP 59 1HB ASP 59 12.304 -9.261 5.791 471 H SER 60 HN SER 60 9.388 -6.467 7.252 472 HA SER 60 HA SER 60 10.429 -4.354 5.571 473 HB2 SER 60 2HB SER 60 9.104 -2.922 7.299 474 HB3 SER 60 1HB SER 60 8.190 -4.005 6.253 475 HG SER 60 HG SER 60 8.823 -4.298 8.983 476 H GLN 61 HN GLN 61 12.652 -4.566 5.889 477 HA GLN 61 HA GLN 61 13.859 -4.225 8.503 478 HB2 GLN 61 2HB GLN 61 15.205 -4.086 5.769 479 HB3 GLN 61 1HB GLN 61 16.003 -4.282 7.331 480 HG2 GLN 61 2HG GLN 61 14.812 -6.486 7.571 481 HG3 GLN 61 1HG GLN 61 14.215 -6.287 5.925 482 HE21 GLN 61 1HE2 GLN 61 16.990 -6.929 7.913 483 HE22 GLN 61 2HE2 GLN 61 18.040 -7.459 6.648 484 H CYS 62 HN CYS 62 13.342 -2.264 5.596 485 HA CYS 62 HA CYS 62 14.442 0.168 6.736 486 HB2 CYS 62 2HB CYS 62 12.802 -0.285 4.207 487 HB3 CYS 62 1HB CYS 62 13.657 1.200 4.620 488 HG CYS 62 HG CYS 62 15.520 -1.614 4.514 489 H GLY 63 HN GLY 63 11.525 -1.522 7.101 490 HA2 GLY 63 2HA GLY 63 10.036 -0.856 8.855 491 HA3 GLY 63 1HA GLY 63 10.289 0.825 8.427 492 H TRP 64 HN TRP 64 9.975 -0.371 5.506 493 HA TRP 64 HA TRP 64 7.033 -0.043 5.432 494 HB2 TRP 64 2HB TRP 64 9.113 0.494 3.270 495 HB3 TRP 64 1HB TRP 64 7.368 0.689 3.071 496 HD1 TRP 64 HD1 TRP 64 6.225 2.513 4.921 497 HE1 TRP 64 HE1 TRP 64 7.141 4.785 5.673 498 HE3 TRP 64 HE3 TRP 64 11.136 1.875 3.631 499 HZ2 TRP 64 HZ2 TRP 64 9.599 6.135 5.731 500 HZ3 TRP 64 HZ3 TRP 64 12.714 3.719 4.077 501 HH2 TRP 64 HH2 TRP 64 11.956 5.811 5.108 502 HA PRO 65 HA PRO 65 7.055 -4.449 4.414 503 HB2 PRO 65 2HB PRO 65 4.351 -4.680 3.864 504 HB3 PRO 65 1HB PRO 65 5.033 -4.690 5.495 505 HG2 PRO 65 2HG PRO 65 3.784 -2.403 3.979 506 HG3 PRO 65 1HG PRO 65 3.554 -2.879 5.677 507 HD2 PRO 65 2HD PRO 65 5.186 -0.834 5.003 508 HD3 PRO 65 1HD PRO 65 5.581 -1.914 6.358 509 H SER 66 HN SER 66 7.743 -5.226 2.544 510 HA SER 66 HA SER 66 7.331 -3.770 0.066 511 HB2 SER 66 2HB SER 66 9.106 -6.162 0.722 512 HB3 SER 66 1HB SER 66 9.155 -5.230 -0.778 513 HG SER 66 HG SER 66 9.365 -3.472 1.154 514 H PHE 67 HN PHE 67 5.784 -4.308 -1.328 515 HA PHE 67 HA PHE 67 4.269 -6.791 -1.034 516 HB2 PHE 67 2HB PHE 67 3.872 -4.446 -2.962 517 HB3 PHE 67 1HB PHE 67 2.760 -5.792 -2.754 518 HD1 PHE 67 HD2 PHE 67 3.824 -5.109 0.516 519 HD2 PHE 67 HD1 PHE 67 1.414 -3.414 -2.593 520 HE1 PHE 67 HE2 PHE 67 2.556 -3.837 2.189 521 HE2 PHE 67 HE1 PHE 67 0.158 -2.148 -0.902 522 HZ PHE 67 HZ PHE 67 0.719 -2.361 1.480 523 H THR 68 HN THR 68 4.979 -8.613 -2.101 524 HA THR 68 HA THR 68 6.899 -8.412 -4.247 525 HB THR 68 HB THR 68 7.158 -10.188 -2.579 526 HG1 THR 68 HG1 THR 68 7.502 -10.463 -5.061 527 HG21 THR 68 3HG2 THR 68 5.659 -12.139 -2.490 528 HG22 THR 68 1HG2 THR 68 4.567 -11.367 -3.647 529 HG23 THR 68 2HG2 THR 68 4.797 -10.668 -2.042 530 H LYS 69 HN LYS 69 3.472 -8.890 -3.967 531 HA LYS 69 HA LYS 69 3.083 -8.565 -6.815 532 HB2 LYS 69 2HB LYS 69 3.352 -11.045 -6.618 533 HB3 LYS 69 1HB LYS 69 2.062 -11.083 -5.418 534 HG2 LYS 69 2HG LYS 69 0.485 -10.200 -7.158 535 HG3 LYS 69 1HG LYS 69 1.786 -10.321 -8.347 536 HD2 LYS 69 2HD LYS 69 0.566 -12.624 -6.776 537 HD3 LYS 69 1HD LYS 69 0.262 -12.247 -8.472 538 HE2 LYS 69 2HE LYS 69 2.630 -12.707 -9.007 539 HE3 LYS 69 1HE LYS 69 2.948 -13.056 -7.305 540 HZ1 LYS 69 3HZ LYS 69 2.627 -15.067 -8.573 541 HZ2 LYS 69 1HZ LYS 69 1.087 -14.566 -9.054 542 HZ3 LYS 69 2HZ LYS 69 1.403 -14.894 -7.426 543 HA PRO 70 HA PRO 70 0.040 -6.355 -4.152 544 HB2 PRO 70 2HB PRO 70 -0.367 -4.209 -5.714 545 HB3 PRO 70 1HB PRO 70 1.200 -4.433 -4.909 546 HG2 PRO 70 2HG PRO 70 0.418 -5.198 -7.747 547 HG3 PRO 70 1HG PRO 70 1.800 -4.212 -7.218 548 HD2 PRO 70 2HD PRO 70 2.092 -6.855 -7.716 549 HD3 PRO 70 1HD PRO 70 2.989 -6.066 -6.399 550 H ILE 71 HN ILE 71 -2.169 -5.305 -4.729 551 HA ILE 71 HA ILE 71 -3.726 -7.125 -6.428 552 HB ILE 71 HB ILE 71 -4.640 -4.973 -4.461 553 HG12 ILE 71 2HG1 ILE 71 -4.754 -8.028 -4.373 554 HG13 ILE 71 1HG1 ILE 71 -3.721 -7.000 -3.388 555 HG21 ILE 71 1HG2 ILE 71 -6.963 -5.770 -4.862 556 HG22 ILE 71 2HG2 ILE 71 -6.377 -6.818 -6.155 557 HG23 ILE 71 3HG2 ILE 71 -6.254 -5.065 -6.319 558 HD11 ILE 71 3HD1 ILE 71 -5.563 -7.859 -2.098 559 HD12 ILE 71 1HD1 ILE 71 -6.728 -7.179 -3.237 560 HD13 ILE 71 2HD1 ILE 71 -5.711 -6.110 -2.265 561 H GLU 72 HN GLU 72 -3.359 -6.621 -8.399 562 HA GLU 72 HA GLU 72 -2.363 -4.080 -9.308 563 HB2 GLU 72 2HB GLU 72 -2.151 -5.227 -11.522 564 HB3 GLU 72 1HB GLU 72 -1.406 -6.114 -10.194 565 HG2 GLU 72 2HG GLU 72 -3.468 -7.558 -10.091 566 HG3 GLU 72 1HG GLU 72 -4.050 -6.749 -11.550 567 H GLU 73 HN GLU 73 -5.411 -5.283 -8.904 568 HA GLU 73 HA GLU 73 -6.943 -4.283 -11.064 569 HB2 GLU 73 2HB GLU 73 -7.720 -5.952 -9.354 570 HB3 GLU 73 1HB GLU 73 -7.802 -4.658 -8.162 571 HG2 GLU 73 2HG GLU 73 -9.535 -3.529 -9.473 572 HG3 GLU 73 1HG GLU 73 -9.422 -4.767 -10.724 573 H GLU 74 HN GLU 74 -5.743 -2.777 -8.060 574 HA GLU 74 HA GLU 74 -6.656 -0.135 -9.027 575 HB2 GLU 74 2HB GLU 74 -7.379 -1.423 -6.494 576 HB3 GLU 74 1HB GLU 74 -6.481 0.045 -6.173 577 HG2 GLU 74 2HG GLU 74 -8.777 0.648 -6.158 578 HG3 GLU 74 1HG GLU 74 -8.097 1.293 -7.647 579 H VAL 75 HN VAL 75 -4.035 -1.869 -8.877 580 HA VAL 75 HA VAL 75 -2.285 0.345 -7.956 581 HB VAL 75 HB VAL 75 -1.644 -2.625 -8.282 582 HG11 VAL 75 1HG1 VAL 75 0.661 -2.059 -7.498 583 HG12 VAL 75 2HG1 VAL 75 0.261 -0.342 -7.611 584 HG13 VAL 75 3HG1 VAL 75 0.299 -1.336 -9.071 585 HG21 VAL 75 3HG2 VAL 75 -1.145 -2.537 -5.856 586 HG22 VAL 75 1HG2 VAL 75 -2.824 -2.082 -6.181 587 HG23 VAL 75 2HG2 VAL 75 -1.621 -0.838 -5.823 588 H GLU 76 HN GLU 76 -1.257 1.453 -9.495 589 HA GLU 76 HA GLU 76 -1.076 0.382 -12.256 590 HB2 GLU 76 2HB GLU 76 -2.981 1.951 -12.172 591 HB3 GLU 76 1HB GLU 76 -1.979 3.185 -11.418 592 HG2 GLU 76 2HG GLU 76 -0.627 3.359 -13.465 593 HG3 GLU 76 1HG GLU 76 -1.580 2.082 -14.216 594 H GLU 77 HN GLU 77 0.967 0.474 -12.995 595 HA GLU 77 HA GLU 77 3.101 1.703 -11.539 596 HB2 GLU 77 2HB GLU 77 4.553 0.830 -13.285 597 HB3 GLU 77 1HB GLU 77 3.374 -0.404 -12.868 598 HG2 GLU 77 2HG GLU 77 2.108 0.064 -14.898 599 HG3 GLU 77 1HG GLU 77 3.178 1.407 -15.294 600 H LYS 78 HN LYS 78 4.344 3.526 -12.160 601 HA LYS 78 HA LYS 78 3.508 5.189 -14.414 602 HB2 LYS 78 2HB LYS 78 1.968 5.793 -12.513 603 HB3 LYS 78 1HB LYS 78 3.364 6.217 -11.532 604 HG2 LYS 78 2HG LYS 78 2.351 8.232 -12.419 605 HG3 LYS 78 1HG LYS 78 3.941 8.008 -13.162 606 HD2 LYS 78 2HD LYS 78 2.846 7.047 -15.181 607 HD3 LYS 78 1HD LYS 78 1.263 7.290 -14.429 608 HE2 LYS 78 2HE LYS 78 1.667 9.731 -14.409 609 HE3 LYS 78 1HE LYS 78 3.239 9.472 -15.176 610 HZ1 LYS 78 3HZ LYS 78 1.554 10.081 -16.773 611 HZ2 LYS 78 1HZ LYS 78 0.602 8.754 -16.335 612 HZ3 LYS 78 2HZ LYS 78 2.107 8.515 -17.076 613 H LEU 79 HN LEU 79 5.600 4.981 -15.266 614 HA LEU 79 HA LEU 79 8.008 5.433 -13.866 615 HB2 LEU 79 2HB LEU 79 7.807 4.370 -16.148 616 HB3 LEU 79 1HB LEU 79 7.476 5.960 -16.817 617 HG LEU 79 HG LEU 79 9.762 6.687 -15.903 618 HD11 LEU 79 1HD1 LEU 79 11.418 4.951 -15.426 619 HD12 LEU 79 2HD1 LEU 79 10.177 3.703 -15.564 620 HD13 LEU 79 3HD1 LEU 79 10.092 4.897 -14.266 621 HD21 LEU 79 3HD2 LEU 79 9.399 6.241 -18.284 622 HD22 LEU 79 1HD2 LEU 79 9.759 4.532 -18.033 623 HD23 LEU 79 2HD2 LEU 79 11.014 5.750 -17.778 624 H ASP 80 HN ASP 80 9.098 7.295 -13.411 625 HA ASP 80 HA ASP 80 7.830 9.894 -13.967 626 HB2 ASP 80 2HB ASP 80 6.964 9.094 -11.799 627 HB3 ASP 80 1HB ASP 80 8.600 8.785 -11.224 628 H THR 81 HN THR 81 9.191 11.668 -13.725 629 HA THR 81 HA THR 81 12.110 11.226 -13.524 630 HB THR 81 HB THR 81 11.514 11.498 -15.894 631 HG1 THR 81 HG1 THR 81 12.717 13.874 -14.867 632 HG21 THR 81 3HG2 THR 81 10.475 13.546 -16.778 633 HG22 THR 81 1HG2 THR 81 10.285 14.182 -15.139 634 HG23 THR 81 2HG2 THR 81 9.381 12.752 -15.646 635 H SER 82 HN SER 82 9.361 12.861 -12.401 636 HA SER 82 HA SER 82 10.246 15.536 -12.047 637 HB2 SER 82 2HB SER 82 8.070 14.121 -10.439 638 HB3 SER 82 1HB SER 82 8.200 15.846 -10.796 639 HG SER 82 HG SER 82 7.158 13.819 -12.283 640 H HIS 83 HN HIS 83 10.389 12.668 -10.011 641 HA HIS 83 HA HIS 83 11.127 14.100 -7.584 642 HB2 HIS 83 2HB HIS 83 10.788 11.129 -8.182 643 HB3 HIS 83 1HB HIS 83 11.179 11.776 -6.590 644 HD1 HIS 83 HD1 HIS 83 8.319 10.996 -8.739 645 HD2 HIS 83 HD2 HIS 83 9.085 13.510 -5.525 646 HE1 HIS 83 HE1 HIS 83 6.068 11.706 -7.904 647 HE2 HIS 83 HE2 HIS 83 6.560 13.383 -6.094 648 H GLY 84 HN GLY 84 12.919 13.586 -10.203 649 HA2 GLY 84 2HA GLY 84 15.114 14.539 -10.065 650 HA3 GLY 84 1HA GLY 84 15.377 13.680 -8.558 651 H MET 85 HN MET 85 14.160 11.192 -9.839 652 HA MET 85 HA MET 85 16.333 10.448 -11.700 653 HB2 MET 85 2HB MET 85 15.511 8.812 -9.255 654 HB3 MET 85 1HB MET 85 16.591 8.251 -10.526 655 HG2 MET 85 2HG MET 85 18.130 10.159 -9.944 656 HG3 MET 85 1HG MET 85 17.088 10.490 -8.561 657 HE1 MET 85 3HE MET 85 18.231 6.979 -10.108 658 HE2 MET 85 1HE MET 85 19.635 6.658 -9.090 659 HE3 MET 85 2HE MET 85 19.649 8.022 -10.210 660 H ILE 86 HN ILE 86 15.857 8.569 -12.996 661 HA ILE 86 HA ILE 86 13.051 8.354 -13.734 662 HB ILE 86 HB ILE 86 15.436 6.839 -14.889 663 HG12 ILE 86 2HG1 ILE 86 15.750 9.308 -15.107 664 HG13 ILE 86 1HG1 ILE 86 15.548 8.526 -16.668 665 HG21 ILE 86 1HG2 ILE 86 13.307 5.768 -15.454 666 HG22 ILE 86 2HG2 ILE 86 13.988 6.527 -16.893 667 HG23 ILE 86 3HG2 ILE 86 12.652 7.301 -16.035 668 HD11 ILE 86 3HD1 ILE 86 14.382 10.653 -16.546 669 HD12 ILE 86 1HD1 ILE 86 13.418 10.070 -15.191 670 HD13 ILE 86 2HD1 ILE 86 13.250 9.323 -16.782 671 H ARG 87 HN ARG 87 11.824 7.112 -12.490 672 HA ARG 87 HA ARG 87 12.384 4.298 -11.996 673 HB2 ARG 87 2HB ARG 87 12.116 6.268 -9.673 674 HB3 ARG 87 1HB ARG 87 11.656 4.579 -9.494 675 HG2 ARG 87 2HG ARG 87 14.038 3.978 -10.156 676 HG3 ARG 87 1HG ARG 87 14.423 5.697 -10.011 677 HD2 ARG 87 2HD ARG 87 13.300 3.939 -7.796 678 HD3 ARG 87 1HD ARG 87 14.987 4.426 -7.960 679 HE ARG 87 HE ARG 87 14.194 6.764 -7.678 680 HH11 ARG 87 1HH1 ARG 87 12.140 4.196 -6.399 681 HH12 ARG 87 2HH1 ARG 87 11.533 5.181 -5.110 682 HH21 ARG 87 1HH2 ARG 87 13.390 8.017 -6.009 683 HH22 ARG 87 2HH2 ARG 87 12.233 7.365 -4.896 684 H THR 88 HN THR 88 10.445 3.259 -11.015 685 HA THR 88 HA THR 88 8.028 4.424 -12.232 686 HB THR 88 HB THR 88 8.622 1.551 -11.370 687 HG1 THR 88 HG1 THR 88 8.419 2.659 -13.992 688 HG21 THR 88 3HG2 THR 88 6.570 0.964 -12.652 689 HG22 THR 88 1HG2 THR 88 6.249 2.677 -12.903 690 HG23 THR 88 2HG2 THR 88 6.195 2.000 -11.274 691 H GLU 89 HN GLU 89 6.229 4.825 -10.919 692 HA GLU 89 HA GLU 89 6.348 4.020 -8.098 693 HB2 GLU 89 2HB GLU 89 5.468 6.129 -7.348 694 HB3 GLU 89 1HB GLU 89 6.932 6.423 -8.270 695 HG2 GLU 89 2HG GLU 89 5.575 7.156 -10.195 696 HG3 GLU 89 1HG GLU 89 4.103 6.870 -9.263 697 H VAL 90 HN VAL 90 4.388 3.563 -7.156 698 HA VAL 90 HA VAL 90 2.322 2.781 -9.103 699 HB VAL 90 HB VAL 90 1.562 1.158 -7.322 700 HG11 VAL 90 1HG1 VAL 90 4.458 0.897 -8.235 701 HG12 VAL 90 2HG1 VAL 90 3.028 0.480 -9.193 702 HG13 VAL 90 3HG1 VAL 90 3.406 -0.426 -7.731 703 HG21 VAL 90 3HG2 VAL 90 2.511 2.266 -5.322 704 HG22 VAL 90 1HG2 VAL 90 4.148 1.979 -5.915 705 HG23 VAL 90 2HG2 VAL 90 3.115 0.616 -5.461 706 H ARG 91 HN ARG 91 0.642 3.966 -9.210 707 HA ARG 91 HA ARG 91 -0.869 4.875 -6.961 708 HB2 ARG 91 2HB ARG 91 -0.865 7.289 -7.625 709 HB3 ARG 91 1HB ARG 91 0.700 6.750 -7.030 710 HG2 ARG 91 2HG ARG 91 1.619 6.709 -9.274 711 HG3 ARG 91 1HG ARG 91 0.028 7.007 -9.981 712 HD2 ARG 91 2HD ARG 91 1.418 9.048 -9.964 713 HD3 ARG 91 1HD ARG 91 -0.034 9.242 -8.975 714 HE ARG 91 HE ARG 91 2.596 8.573 -7.793 715 HH11 ARG 91 1HH1 ARG 91 -0.262 10.602 -7.800 716 HH12 ARG 91 2HH1 ARG 91 0.250 11.529 -6.430 717 HH21 ARG 91 1HH2 ARG 91 3.270 9.793 -6.016 718 HH22 ARG 91 2HH2 ARG 91 2.251 11.058 -5.401 719 H SER 92 HN SER 92 -2.967 4.693 -7.539 720 HA SER 92 HA SER 92 -3.738 4.846 -10.387 721 HB2 SER 92 2HB SER 92 -4.365 2.736 -9.312 722 HB3 SER 92 1HB SER 92 -5.161 3.598 -8.006 723 HG SER 92 HG SER 92 -6.874 3.625 -9.175 724 H ARG 93 HN ARG 93 -6.486 5.623 -9.933 725 HA ARG 93 HA ARG 93 -5.717 8.421 -10.167 726 HB2 ARG 93 2HB ARG 93 -6.937 7.276 -11.983 727 HB3 ARG 93 1HB ARG 93 -8.305 7.021 -10.913 728 HG2 ARG 93 2HG ARG 93 -8.748 8.868 -12.442 729 HG3 ARG 93 1HG ARG 93 -8.675 9.465 -10.786 730 HD2 ARG 93 2HD ARG 93 -6.219 9.597 -12.563 731 HD3 ARG 93 1HD ARG 93 -7.479 10.821 -12.701 732 HE ARG 93 HE ARG 93 -7.085 11.198 -10.222 733 HH11 ARG 93 1HH1 ARG 93 -4.456 10.002 -12.238 734 HH12 ARG 93 2HH1 ARG 93 -3.235 10.837 -11.332 735 HH21 ARG 93 1HH2 ARG 93 -5.470 12.243 -9.039 736 HH22 ARG 93 2HH2 ARG 93 -3.813 12.102 -9.521 737 H THR 94 HN THR 94 -8.303 6.620 -8.344 738 HA THR 94 HA THR 94 -9.686 9.097 -7.852 739 HB THR 94 HB THR 94 -10.307 6.321 -6.732 740 HG1 THR 94 HG1 THR 94 -10.862 5.769 -8.692 741 HG21 THR 94 3HG2 THR 94 -11.637 8.128 -5.691 742 HG22 THR 94 1HG2 THR 94 -12.655 7.118 -6.721 743 HG23 THR 94 2HG2 THR 94 -12.124 8.702 -7.286 744 H ALA 95 HN ALA 95 -8.665 6.558 -5.543 745 HA ALA 95 HA ALA 95 -7.986 8.617 -3.497 746 HB1 ALA 95 3HB ALA 95 -8.869 7.108 -1.764 747 HB2 ALA 95 1HB ALA 95 -9.351 5.943 -3.000 748 HB3 ALA 95 2HB ALA 95 -10.132 7.526 -2.923 749 H ASP 96 HN ASP 96 -6.741 6.497 -5.529 750 HA ASP 96 HA ASP 96 -5.247 4.777 -3.683 751 HB2 ASP 96 2HB ASP 96 -5.112 3.915 -6.479 752 HB3 ASP 96 1HB ASP 96 -5.735 3.056 -5.080 753 H SER 97 HN SER 97 -4.576 7.644 -4.939 754 HA SER 97 HA SER 97 -2.003 7.204 -6.159 755 HB2 SER 97 2HB SER 97 -3.063 9.721 -4.819 756 HB3 SER 97 1HB SER 97 -1.668 9.627 -5.905 757 HG SER 97 HG SER 97 -3.991 8.569 -6.954 758 H HIS 98 HN HIS 98 -3.013 6.736 -3.025 759 HA HIS 98 HA HIS 98 -0.785 7.794 -1.537 760 HB2 HIS 98 2HB HIS 98 -3.222 6.162 -0.758 761 HB3 HIS 98 1HB HIS 98 -1.984 6.617 0.413 762 HD1 HIS 98 HD1 HIS 98 -2.355 8.750 1.537 763 HD2 HIS 98 HD2 HIS 98 -4.378 8.601 -2.071 764 HE1 HIS 98 HE1 HIS 98 -3.686 10.874 1.442 765 HE2 HIS 98 HE2 HIS 98 -5.065 10.658 -0.654 766 H LEU 99 HN LEU 99 -0.966 5.008 -3.378 767 HA LEU 99 HA LEU 99 -0.050 2.951 -1.742 768 HB2 LEU 99 2HB LEU 99 1.019 3.135 -4.567 769 HB3 LEU 99 1HB LEU 99 0.523 1.713 -3.666 770 HG LEU 99 HG LEU 99 -1.275 3.788 -4.952 771 HD11 LEU 99 1HD1 LEU 99 -0.891 0.861 -5.617 772 HD12 LEU 99 2HD1 LEU 99 -0.284 2.232 -6.551 773 HD13 LEU 99 3HD1 LEU 99 -2.020 1.971 -6.400 774 HD21 LEU 99 3HD2 LEU 99 -2.123 1.371 -3.349 775 HD22 LEU 99 1HD2 LEU 99 -3.188 2.433 -4.274 776 HD23 LEU 99 2HD2 LEU 99 -2.320 3.062 -2.876 777 H GLY 100 HN GLY 100 2.220 4.552 -4.047 778 HA2 GLY 100 2HA GLY 100 4.239 5.486 -2.521 779 HA3 GLY 100 1HA GLY 100 4.469 3.747 -2.355 780 H HIS 101 HN HIS 101 6.512 4.047 -3.307 781 HA HIS 101 HA HIS 101 6.585 4.359 -6.257 782 HB2 HIS 101 2HB HIS 101 8.616 5.196 -4.145 783 HB3 HIS 101 1HB HIS 101 9.111 4.898 -5.809 784 HD1 HIS 101 HD1 HIS 101 9.620 7.160 -6.647 785 HD2 HIS 101 HD2 HIS 101 5.975 7.066 -4.653 786 HE1 HIS 101 HE1 HIS 101 8.617 9.425 -6.994 787 HE2 HIS 101 HE2 HIS 101 6.295 9.232 -6.037 788 H VAL 102 HN VAL 102 8.320 3.005 -7.309 789 HA VAL 102 HA VAL 102 9.208 0.717 -5.679 790 HB VAL 102 HB VAL 102 8.751 -0.914 -7.420 791 HG11 VAL 102 1HG1 VAL 102 6.279 -0.969 -7.441 792 HG12 VAL 102 2HG1 VAL 102 6.234 0.721 -6.930 793 HG13 VAL 102 3HG1 VAL 102 6.902 -0.504 -5.855 794 HG21 VAL 102 3HG2 VAL 102 7.529 -0.381 -9.502 795 HG22 VAL 102 1HG2 VAL 102 9.096 0.427 -9.416 796 HG23 VAL 102 2HG2 VAL 102 7.614 1.338 -9.100 797 H PHE 103 HN PHE 103 11.186 -0.163 -6.320 798 HA PHE 103 HA PHE 103 12.913 1.632 -7.857 799 HB2 PHE 103 2HB PHE 103 13.615 -0.778 -6.106 800 HB3 PHE 103 1HB PHE 103 14.766 0.361 -6.809 801 HD1 PHE 103 HD1 PHE 103 14.892 2.698 -5.965 802 HD2 PHE 103 HD2 PHE 103 12.359 -0.206 -4.112 803 HE1 PHE 103 HE1 PHE 103 14.671 4.145 -3.990 804 HE2 PHE 103 HE2 PHE 103 12.143 1.244 -2.147 805 HZ PHE 103 HZ PHE 103 13.295 3.418 -2.080 806 H ASN 104 HN ASN 104 14.346 0.734 -9.474 807 HA ASN 104 HA ASN 104 13.115 -1.256 -11.184 808 HB2 ASN 104 2HB ASN 104 15.620 0.451 -11.571 809 HB3 ASN 104 1HB ASN 104 14.889 -0.562 -12.812 810 HD21 ASN 104 1HD2 ASN 104 12.817 0.047 -13.655 811 HD22 ASN 104 2HD2 ASN 104 12.269 1.683 -13.561 812 H ASP 105 HN ASP 105 13.625 -2.535 -9.085 813 HA ASP 105 HA ASP 105 16.225 -3.779 -8.830 814 HB2 ASP 105 2HB ASP 105 15.098 -3.186 -6.774 815 HB3 ASP 105 1HB ASP 105 13.567 -3.851 -7.334 816 H GLY 106 HN GLY 106 13.212 -4.223 -10.396 817 HA2 GLY 106 2HA GLY 106 14.017 -6.896 -11.405 818 HA3 GLY 106 1HA GLY 106 12.464 -6.791 -10.576 819 HA PRO 107 HA PRO 107 11.703 -5.808 -15.219 820 HB2 PRO 107 2HB PRO 107 9.906 -7.924 -15.516 821 HB3 PRO 107 1HB PRO 107 11.619 -8.022 -15.947 822 HG2 PRO 107 2HG PRO 107 10.252 -8.897 -13.400 823 HG3 PRO 107 1HG PRO 107 11.435 -9.786 -14.386 824 HD2 PRO 107 2HD PRO 107 12.216 -8.530 -12.156 825 HD3 PRO 107 1HD PRO 107 13.247 -8.477 -13.605 826 H GLY 108 HN GLY 108 9.350 -5.436 -16.028 827 HA2 GLY 108 2HA GLY 108 7.857 -3.645 -14.754 828 HA3 GLY 108 1HA GLY 108 7.128 -4.817 -15.820 829 HA PRO 109 HA PRO 109 5.214 -3.657 -11.523 830 HB2 PRO 109 2HB PRO 109 3.227 -5.614 -12.698 831 HB3 PRO 109 1HB PRO 109 2.915 -4.228 -11.631 832 HG2 PRO 109 2HG PRO 109 2.684 -4.020 -14.314 833 HG3 PRO 109 1HG PRO 109 3.282 -2.672 -13.332 834 HD2 PRO 109 2HD PRO 109 4.748 -4.309 -15.287 835 HD3 PRO 109 1HD PRO 109 5.253 -2.799 -14.503 836 H ASN 110 HN ASN 110 4.915 -7.127 -12.489 837 HA ASN 110 HA ASN 110 4.757 -8.197 -9.896 838 HB2 ASN 110 2HB ASN 110 5.023 -10.373 -10.919 839 HB3 ASN 110 1HB ASN 110 4.086 -9.367 -12.011 840 HD21 ASN 110 1HD2 ASN 110 6.395 -7.913 -13.063 841 HD22 ASN 110 2HD2 ASN 110 7.228 -9.006 -14.099 842 H GLY 111 HN GLY 111 7.605 -6.980 -11.459 843 HA2 GLY 111 2HA GLY 111 9.427 -8.886 -10.191 844 HA3 GLY 111 1HA GLY 111 9.799 -7.756 -11.489 845 H LEU 112 HN LEU 112 9.401 -5.281 -10.736 846 HA LEU 112 HA LEU 112 11.265 -4.430 -9.110 847 HB2 LEU 112 2HB LEU 112 8.587 -3.002 -9.158 848 HB3 LEU 112 1HB LEU 112 10.164 -2.289 -8.958 849 HG LEU 112 HG LEU 112 10.418 -3.460 -11.468 850 HD11 LEU 112 1HD1 LEU 112 7.568 -2.471 -11.213 851 HD12 LEU 112 2HD1 LEU 112 8.107 -4.119 -11.624 852 HD13 LEU 112 3HD1 LEU 112 8.405 -2.780 -12.740 853 HD21 LEU 112 3HD2 LEU 112 11.132 -1.176 -10.823 854 HD22 LEU 112 1HD2 LEU 112 9.463 -0.627 -10.970 855 HD23 LEU 112 2HD2 LEU 112 10.322 -1.223 -12.391 856 H ARG 113 HN ARG 113 10.947 -2.850 -7.215 857 HA ARG 113 HA ARG 113 10.193 -4.542 -4.881 858 HB2 ARG 113 2HB ARG 113 12.582 -4.157 -4.860 859 HB3 ARG 113 1HB ARG 113 12.390 -2.456 -5.264 860 HG2 ARG 113 2HG ARG 113 13.049 -2.639 -2.940 861 HG3 ARG 113 1HG ARG 113 11.394 -2.048 -3.017 862 HD2 ARG 113 2HD ARG 113 11.367 -3.622 -1.260 863 HD3 ARG 113 1HD ARG 113 10.686 -4.506 -2.625 864 HE ARG 113 HE ARG 113 13.031 -5.414 -2.931 865 HH11 ARG 113 1HH1 ARG 113 11.747 -4.591 0.254 866 HH12 ARG 113 2HH1 ARG 113 12.901 -5.573 1.096 867 HH21 ARG 113 1HH2 ARG 113 14.520 -6.720 -1.777 868 HH22 ARG 113 2HH2 ARG 113 14.472 -6.760 -0.044 869 H TYR 114 HN TYR 114 8.311 -3.892 -4.062 870 HA TYR 114 HA TYR 114 7.238 -1.250 -4.473 871 HB2 TYR 114 2HB TYR 114 6.181 -3.789 -3.205 872 HB3 TYR 114 1HB TYR 114 5.300 -2.269 -3.052 873 HD1 TYR 114 HD2 TYR 114 6.928 -4.357 -5.737 874 HD2 TYR 114 HD1 TYR 114 3.693 -1.782 -4.679 875 HE1 TYR 114 HE2 TYR 114 5.966 -4.654 -7.979 876 HE2 TYR 114 HE1 TYR 114 2.732 -2.067 -6.914 877 HH TYR 114 HH TYR 114 3.543 -2.660 -9.228 878 H CYS 115 HN CYS 115 8.061 0.319 -3.354 879 HA CYS 115 HA CYS 115 8.459 0.106 -0.428 880 HB2 CYS 115 2HB CYS 115 10.275 1.200 -1.760 881 HB3 CYS 115 1HB CYS 115 9.128 2.404 -2.333 882 HG CYS 115 HG CYS 115 11.019 3.198 -0.191 883 H ILE 116 HN ILE 116 6.409 0.079 0.343 884 HA ILE 116 HA ILE 116 4.473 2.140 -0.534 885 HB ILE 116 HB ILE 116 3.856 -0.559 0.766 886 HG12 ILE 116 2HG1 ILE 116 4.901 -0.940 -1.452 887 HG13 ILE 116 1HG1 ILE 116 3.200 -1.384 -1.471 888 HG21 ILE 116 1HG2 ILE 116 1.541 -0.141 -0.014 889 HG22 ILE 116 2HG2 ILE 116 2.033 1.431 -0.644 890 HG23 ILE 116 3HG2 ILE 116 2.097 1.119 1.091 891 HD11 ILE 116 3HD1 ILE 116 3.847 -0.266 -3.510 892 HD12 ILE 116 1HD1 ILE 116 4.388 1.146 -2.605 893 HD13 ILE 116 2HD1 ILE 116 2.675 0.711 -2.625 894 H ASN 117 HN ASN 117 3.600 3.459 1.084 895 HA ASN 117 HA ASN 117 5.365 3.626 3.368 896 HB2 ASN 117 2HB ASN 117 4.467 5.868 3.664 897 HB3 ASN 117 1HB ASN 117 4.974 5.617 2.004 898 HD21 ASN 117 1HD2 ASN 117 3.321 5.359 0.380 899 HD22 ASN 117 2HD2 ASN 117 1.750 6.016 0.639 900 H SER 118 HN SER 118 4.874 3.277 5.423 901 HA SER 118 HA SER 118 2.691 1.595 6.091 902 HB2 SER 118 2HB SER 118 4.723 2.964 7.903 903 HB3 SER 118 1HB SER 118 3.689 1.605 8.361 904 HG SER 118 HG SER 118 6.038 1.392 7.375 905 H ALA 119 HN ALA 119 3.102 5.015 6.156 906 HA ALA 119 HA ALA 119 1.125 5.811 7.997 907 HB1 ALA 119 3HB ALA 119 2.720 7.380 6.962 908 HB2 ALA 119 1HB ALA 119 1.054 7.919 6.738 909 HB3 ALA 119 2HB ALA 119 1.931 7.166 5.401 910 H ALA 120 HN ALA 120 0.950 4.926 4.536 911 HA ALA 120 HA ALA 120 -1.827 5.602 4.214 912 HB1 ALA 120 3HB ALA 120 -0.275 5.576 2.298 913 HB2 ALA 120 1HB ALA 120 -1.639 4.490 2.027 914 HB3 ALA 120 2HB ALA 120 -0.060 3.833 2.481 915 H LEU 121 HN LEU 121 -0.110 2.827 5.319 916 HA LEU 121 HA LEU 121 -2.100 0.911 4.418 917 HB2 LEU 121 2HB LEU 121 0.547 0.505 5.840 918 HB3 LEU 121 1HB LEU 121 -0.464 -0.775 5.165 919 HG LEU 121 HG LEU 121 0.922 1.429 3.601 920 HD11 LEU 121 1HD1 LEU 121 1.458 -1.536 3.730 921 HD12 LEU 121 2HD1 LEU 121 2.475 -0.230 4.355 922 HD13 LEU 121 3HD1 LEU 121 2.230 -0.395 2.622 923 HD21 LEU 121 3HD2 LEU 121 -0.923 -0.760 2.605 924 HD22 LEU 121 1HD2 LEU 121 0.090 0.259 1.575 925 HD23 LEU 121 2HD2 LEU 121 -1.185 0.988 2.540 926 H ARG 122 HN ARG 122 -3.073 -0.566 5.612 927 HA ARG 122 HA ARG 122 -3.107 -0.455 8.545 928 HB2 ARG 122 2HB ARG 122 -4.919 0.984 7.761 929 HB3 ARG 122 1HB ARG 122 -5.523 -0.274 6.700 930 HG2 ARG 122 2HG ARG 122 -6.210 -1.611 8.634 931 HG3 ARG 122 1HG ARG 122 -5.507 -0.415 9.735 932 HD2 ARG 122 2HD ARG 122 -7.113 1.258 9.050 933 HD3 ARG 122 1HD ARG 122 -7.709 0.233 7.740 934 HE ARG 122 HE ARG 122 -8.251 -0.051 10.609 935 HH11 ARG 122 1HH1 ARG 122 -8.768 -1.245 7.345 936 HH12 ARG 122 2HH1 ARG 122 -10.128 -2.220 7.788 937 HH21 ARG 122 1HH2 ARG 122 -10.077 -1.274 11.160 938 HH22 ARG 122 2HH2 ARG 122 -10.883 -2.221 9.954 939 H PHE 123 HN PHE 123 -2.494 -2.410 9.037 940 HA PHE 123 HA PHE 123 -2.978 -4.776 7.490 941 HB2 PHE 123 2HB PHE 123 -1.891 -5.919 9.548 942 HB3 PHE 123 1HB PHE 123 -0.885 -4.780 8.659 943 HD1 PHE 123 HD1 PHE 123 -0.223 -2.633 9.640 944 HD2 PHE 123 HD2 PHE 123 -2.723 -5.340 11.821 945 HE1 PHE 123 HE1 PHE 123 0.116 -1.310 11.681 946 HE2 PHE 123 HE2 PHE 123 -2.372 -4.008 13.855 947 HZ PHE 123 HZ PHE 123 -0.955 -1.995 13.780 948 H VAL 124 HN VAL 124 -4.635 -6.173 7.763 949 HA VAL 124 HA VAL 124 -6.540 -5.758 9.998 950 HB VAL 124 HB VAL 124 -7.272 -6.614 7.158 951 HG11 VAL 124 1HG1 VAL 124 -9.619 -6.277 7.920 952 HG12 VAL 124 2HG1 VAL 124 -9.035 -5.897 9.536 953 HG13 VAL 124 3HG1 VAL 124 -8.805 -7.519 8.880 954 HG21 VAL 124 3HG2 VAL 124 -7.693 -3.893 8.459 955 HG22 VAL 124 1HG2 VAL 124 -8.277 -4.376 6.861 956 HG23 VAL 124 2HG2 VAL 124 -6.540 -4.243 7.170 957 HA PRO 125 HA PRO 125 -5.370 -10.054 10.966 958 HB2 PRO 125 2HB PRO 125 -8.062 -10.082 12.313 959 HB3 PRO 125 1HB PRO 125 -6.472 -10.498 12.965 960 HG2 PRO 125 2HG PRO 125 -7.703 -8.194 13.608 961 HG3 PRO 125 1HG PRO 125 -5.943 -8.288 13.433 962 HD2 PRO 125 2HD PRO 125 -7.973 -7.116 11.572 963 HD3 PRO 125 1HD PRO 125 -6.304 -6.598 11.897 964 H LYS 126 HN LYS 126 -5.734 -11.955 9.861 965 HA LYS 126 HA LYS 126 -7.469 -12.249 7.741 966 HB2 LYS 126 2HB LYS 126 -6.848 -14.616 7.641 967 HB3 LYS 126 1HB LYS 126 -5.438 -13.616 7.942 968 HG2 LYS 126 2HG LYS 126 -6.878 -15.092 10.173 969 HG3 LYS 126 1HG LYS 126 -5.611 -15.841 9.202 970 HD2 LYS 126 2HD LYS 126 -4.024 -14.050 9.932 971 HD3 LYS 126 1HD LYS 126 -5.292 -13.369 10.955 972 HE2 LYS 126 2HE LYS 126 -5.353 -15.451 12.275 973 HE3 LYS 126 1HE LYS 126 -4.123 -16.161 11.224 974 HZ1 LYS 126 3HZ LYS 126 -3.232 -15.296 13.316 975 HZ2 LYS 126 1HZ LYS 126 -3.722 -13.736 12.888 976 HZ3 LYS 126 2HZ LYS 126 -2.546 -14.539 11.972 977 H HIS 127 HN HIS 127 -8.034 -13.045 11.097 978 HA HIS 127 HA HIS 127 -10.521 -14.445 10.744 979 HB2 HIS 127 2HB HIS 127 -9.186 -14.734 12.790 980 HB3 HIS 127 1HB HIS 127 -9.352 -13.028 13.177 981 HD1 HIS 127 HD1 HIS 127 -11.517 -12.270 14.288 982 HD2 HIS 127 HD2 HIS 127 -11.466 -16.316 13.347 983 HE1 HIS 127 HE1 HIS 127 -13.508 -13.259 15.458 984 HE2 HIS 127 HE2 HIS 127 -13.291 -15.739 15.089 985 H LYS 128 HN LYS 128 -9.597 -11.056 11.157 986 HA LYS 128 HA LYS 128 -12.273 -10.122 11.814 987 HB2 LYS 128 2HB LYS 128 -10.156 -9.100 12.745 988 HB3 LYS 128 1HB LYS 128 -9.755 -8.528 11.131 989 HG2 LYS 128 2HG LYS 128 -10.679 -6.720 12.461 990 HG3 LYS 128 1HG LYS 128 -11.782 -7.107 11.137 991 HD2 LYS 128 2HD LYS 128 -13.204 -8.401 12.701 992 HD3 LYS 128 1HD LYS 128 -12.095 -8.033 14.025 993 HE2 LYS 128 2HE LYS 128 -12.624 -5.646 13.833 994 HE3 LYS 128 1HE LYS 128 -13.658 -5.967 12.439 995 HZ1 LYS 128 3HZ LYS 128 -14.948 -5.702 14.436 996 HZ2 LYS 128 1HZ LYS 128 -14.108 -6.956 15.198 997 HZ3 LYS 128 2HZ LYS 128 -15.094 -7.286 13.864 998 H LEU 129 HN LEU 129 -10.437 -10.785 9.015 999 HA LEU 129 HA LEU 129 -11.490 -8.935 7.136 1000 HB2 LEU 129 2HB LEU 129 -10.384 -11.735 6.798 1001 HB3 LEU 129 1HB LEU 129 -10.829 -10.712 5.436 1002 HG LEU 129 HG LEU 129 -8.710 -9.993 7.496 1003 HD11 LEU 129 1HD1 LEU 129 -8.044 -11.921 6.140 1004 HD12 LEU 129 2HD1 LEU 129 -7.063 -10.495 5.805 1005 HD13 LEU 129 3HD1 LEU 129 -8.325 -10.984 4.669 1006 HD21 LEU 129 3HD2 LEU 129 -8.117 -8.206 5.920 1007 HD22 LEU 129 1HD2 LEU 129 -9.766 -8.032 6.522 1008 HD23 LEU 129 2HD2 LEU 129 -9.483 -8.657 4.893 1009 H LYS 130 HN LYS 130 -12.735 -12.005 8.394 1010 HA LYS 130 HA LYS 130 -14.653 -12.645 6.496 1011 HB2 LYS 130 2HB LYS 130 -13.918 -14.116 8.377 1012 HB3 LYS 130 1HB LYS 130 -14.798 -13.090 9.504 1013 HG2 LYS 130 2HG LYS 130 -16.916 -13.675 8.262 1014 HG3 LYS 130 1HG LYS 130 -15.980 -14.826 7.306 1015 HD2 LYS 130 2HD LYS 130 -16.372 -14.892 10.326 1016 HD3 LYS 130 1HD LYS 130 -17.178 -15.942 9.159 1017 HE2 LYS 130 2HE LYS 130 -15.014 -16.964 8.566 1018 HE3 LYS 130 1HE LYS 130 -14.176 -15.861 9.662 1019 HZ1 LYS 130 3HZ LYS 130 -15.379 -16.850 11.505 1020 HZ2 LYS 130 1HZ LYS 130 -14.498 -18.021 10.661 1021 HZ3 LYS 130 2HZ LYS 130 -16.175 -17.908 10.454 1022 H GLU 131 HN GLU 131 -14.776 -10.275 9.100 1023 HA GLU 131 HA GLU 131 -17.558 -9.546 8.688 1024 HB2 GLU 131 2HB GLU 131 -16.514 -9.391 10.944 1025 HB3 GLU 131 1HB GLU 131 -15.335 -8.237 10.331 1026 HG2 GLU 131 2HG GLU 131 -17.190 -6.643 9.854 1027 HG3 GLU 131 1HG GLU 131 -18.330 -7.798 10.546 1028 H GLU 132 HN GLU 132 -14.319 -8.378 7.782 1029 HA GLU 132 HA GLU 132 -15.412 -5.752 7.022 1030 HB2 GLU 132 2HB GLU 132 -13.650 -6.067 8.892 1031 HB3 GLU 132 1HB GLU 132 -12.514 -6.472 7.608 1032 HG2 GLU 132 2HG GLU 132 -12.767 -4.260 6.630 1033 HG3 GLU 132 1HG GLU 132 -14.036 -3.858 7.790 1034 H GLY 133 HN GLY 133 -15.131 -8.408 5.397 1035 HA2 GLY 133 2HA GLY 133 -15.496 -8.128 2.993 1036 HA3 GLY 133 1HA GLY 133 -14.146 -7.013 2.949 1037 H TYR 134 HN TYR 134 -14.574 -10.302 4.349 1038 HA TYR 134 HA TYR 134 -12.297 -11.564 3.797 1039 HB2 TYR 134 2HB TYR 134 -13.609 -13.675 3.656 1040 HB3 TYR 134 1HB TYR 134 -14.175 -12.621 4.945 1041 HD1 TYR 134 HD2 TYR 134 -16.363 -11.342 4.635 1042 HD2 TYR 134 HD1 TYR 134 -15.084 -14.308 1.838 1043 HE1 TYR 134 HE2 TYR 134 -18.638 -11.461 3.711 1044 HE2 TYR 134 HE1 TYR 134 -17.357 -14.424 0.911 1045 HH TYR 134 HH TYR 134 -19.749 -12.088 1.637 1046 H GLU 135 HN GLU 135 -14.643 -10.731 1.363 1047 HA GLU 135 HA GLU 135 -13.997 -12.325 -0.796 1048 HB2 GLU 135 2HB GLU 135 -14.802 -9.391 -0.843 1049 HB3 GLU 135 1HB GLU 135 -14.952 -10.516 -2.195 1050 HG2 GLU 135 2HG GLU 135 -16.566 -11.855 -0.898 1051 HG3 GLU 135 1HG GLU 135 -16.422 -10.724 0.455 1052 H SER 136 HN SER 136 -12.025 -9.919 0.645 1053 HA SER 136 HA SER 136 -10.560 -9.193 -1.757 1054 HB2 SER 136 2HB SER 136 -11.143 -7.410 -0.232 1055 HB3 SER 136 1HB SER 136 -10.375 -8.246 1.120 1056 HG SER 136 HG SER 136 -8.814 -7.787 -1.131 1057 H TYR 137 HN TYR 137 -9.914 -10.992 1.285 1058 HA TYR 137 HA TYR 137 -7.320 -11.902 0.128 1059 HB2 TYR 137 2HB TYR 137 -7.032 -11.003 2.351 1060 HB3 TYR 137 1HB TYR 137 -8.349 -11.973 2.989 1061 HD1 TYR 137 HD2 TYR 137 -5.395 -12.985 0.862 1062 HD2 TYR 137 HD1 TYR 137 -7.354 -13.359 4.638 1063 HE1 TYR 137 HE2 TYR 137 -3.797 -14.721 1.521 1064 HE2 TYR 137 HE1 TYR 137 -5.750 -15.093 5.298 1065 HH TYR 137 HH TYR 137 -2.898 -15.722 3.551 1066 H LEU 138 HN LEU 138 -10.170 -13.154 1.834 1067 HA LEU 138 HA LEU 138 -9.304 -15.860 1.746 1068 HB2 LEU 138 2HB LEU 138 -12.018 -14.633 2.414 1069 HB3 LEU 138 1HB LEU 138 -11.628 -16.330 2.625 1070 HG LEU 138 HG LEU 138 -9.861 -15.670 4.314 1071 HD11 LEU 138 1HD1 LEU 138 -9.929 -13.427 5.340 1072 HD12 LEU 138 2HD1 LEU 138 -11.047 -12.891 4.091 1073 HD13 LEU 138 3HD1 LEU 138 -9.405 -13.353 3.656 1074 HD21 LEU 138 3HD2 LEU 138 -12.660 -14.730 4.994 1075 HD22 LEU 138 1HD2 LEU 138 -11.399 -15.165 6.153 1076 HD23 LEU 138 2HD2 LEU 138 -12.082 -16.397 5.086 1077 H HIS 139 HN HIS 139 -11.419 -13.890 -0.331 1078 HA HIS 139 HA HIS 139 -11.902 -16.130 -2.154 1079 HB2 HIS 139 2HB HIS 139 -13.703 -14.486 -1.813 1080 HB3 HIS 139 1HB HIS 139 -12.675 -13.208 -2.427 1081 HD1 HIS 139 HD1 HIS 139 -12.469 -12.967 -4.974 1082 HD2 HIS 139 HD2 HIS 139 -14.698 -16.275 -3.796 1083 HE1 HIS 139 HE1 HIS 139 -13.546 -13.840 -7.071 1084 HE2 HIS 139 HE2 HIS 139 -14.809 -15.900 -6.349 1085 H LEU 140 HN LEU 140 -10.441 -12.822 -2.633 1086 HA LEU 140 HA LEU 140 -9.558 -13.197 -5.267 1087 HB2 LEU 140 2HB LEU 140 -8.342 -11.410 -3.125 1088 HB3 LEU 140 1HB LEU 140 -7.868 -11.339 -4.813 1089 HG LEU 140 HG LEU 140 -10.634 -10.663 -3.749 1090 HD11 LEU 140 1HD1 LEU 140 -8.412 -8.819 -4.710 1091 HD12 LEU 140 2HD1 LEU 140 -8.918 -9.027 -3.024 1092 HD13 LEU 140 3HD1 LEU 140 -10.033 -8.333 -4.206 1093 HD21 LEU 140 3HD2 LEU 140 -10.726 -11.523 -6.044 1094 HD22 LEU 140 1HD2 LEU 140 -9.480 -10.371 -6.543 1095 HD23 LEU 140 2HD2 LEU 140 -11.062 -9.794 -6.011 1096 H PHE 141 HN PHE 141 -7.667 -13.484 -2.311 1097 HA PHE 141 HA PHE 141 -5.323 -14.521 -3.758 1098 HB2 PHE 141 2HB PHE 141 -5.375 -12.669 -1.860 1099 HB3 PHE 141 1HB PHE 141 -5.431 -14.036 -0.759 1100 HD1 PHE 141 HD1 PHE 141 -3.375 -12.176 -3.183 1101 HD2 PHE 141 HD2 PHE 141 -3.455 -15.499 -0.488 1102 HE1 PHE 141 HE1 PHE 141 -0.928 -12.342 -3.306 1103 HE2 PHE 141 HE2 PHE 141 -1.008 -15.655 -0.624 1104 HZ PHE 141 HZ PHE 141 0.255 -14.078 -2.031 1105 H ASN 142 HN ASN 142 -7.940 -15.574 -1.832 1106 HA ASN 142 HA ASN 142 -8.664 -17.386 -0.804 1107 HB2 ASN 142 2HB ASN 142 -8.312 -18.282 -3.155 1108 HB3 ASN 142 1HB ASN 142 -6.810 -19.001 -2.586 1109 HD21 ASN 142 1HD2 ASN 142 -9.409 -20.100 -3.599 1110 HD22 ASN 142 2HD2 ASN 142 -9.868 -21.297 -2.443 1111 H LYS 143 HN LYS 143 -8.254 -17.888 1.244 1112 HA LYS 143 HA LYS 143 -5.533 -18.351 2.222 1113 HB2 LYS 143 2HB LYS 143 -7.276 -16.942 3.463 1114 HB3 LYS 143 1HB LYS 143 -8.176 -18.415 3.771 1115 HG2 LYS 143 2HG LYS 143 -5.317 -18.048 4.696 1116 HG3 LYS 143 1HG LYS 143 -6.682 -17.474 5.649 1117 HD2 LYS 143 2HD LYS 143 -6.258 -20.383 4.826 1118 HD3 LYS 143 1HD LYS 143 -5.745 -19.705 6.370 1119 HE2 LYS 143 2HE LYS 143 -7.821 -20.850 6.728 1120 HE3 LYS 143 1HE LYS 143 -8.148 -19.122 6.834 1121 HZ1 LYS 143 3HZ LYS 143 -9.811 -20.405 5.574 1122 HZ2 LYS 143 1HZ LYS 143 -8.644 -20.760 4.404 1123 HZ3 LYS 143 2HZ LYS 143 -9.113 -19.160 4.676 1124 H LEU 144 HN LEU 144 -4.830 -20.322 1.519 1125 HA LEU 144 HA LEU 144 -6.528 -22.401 0.688 1126 HB2 LEU 144 2HB LEU 144 -3.521 -22.338 1.091 1127 HB3 LEU 144 1HB LEU 144 -4.341 -23.794 0.568 1128 HG LEU 144 HG LEU 144 -3.445 -22.783 -1.383 1129 HD11 LEU 144 1HD1 LEU 144 -6.399 -22.110 -1.349 1130 HD12 LEU 144 2HD1 LEU 144 -5.696 -23.696 -1.688 1131 HD13 LEU 144 3HD1 LEU 144 -5.388 -22.348 -2.781 1132 HD21 LEU 144 3HD2 LEU 144 -3.021 -20.547 -0.564 1133 HD22 LEU 144 1HD2 LEU 144 -4.747 -20.181 -0.561 1134 HD23 LEU 144 2HD2 LEU 144 -3.903 -20.471 -2.085 1135 H GLU 145 HN GLU 145 -7.852 -23.184 2.282 1136 HA GLU 145 HA GLU 145 -6.703 -24.873 4.389 1137 HB2 GLU 145 2HB GLU 145 -9.579 -24.337 3.520 1138 HB3 GLU 145 1HB GLU 145 -9.144 -25.470 4.800 1139 HG2 GLU 145 2HG GLU 145 -8.140 -23.639 6.102 1140 HG3 GLU 145 1HG GLU 145 -8.526 -22.499 4.815 1141 H HIS 146 HN HIS 146 -7.115 -25.058 1.105 1142 HA HIS 146 HA HIS 146 -7.016 -28.015 1.103 1143 HB2 HIS 146 2HB HIS 146 -8.199 -28.061 -1.032 1144 HB3 HIS 146 1HB HIS 146 -9.186 -27.192 0.135 1145 HD1 HIS 146 HD1 HIS 146 -9.480 -24.602 -0.245 1146 HD2 HIS 146 HD2 HIS 146 -7.372 -26.544 -3.266 1147 HE1 HIS 146 HE1 HIS 146 -9.348 -22.961 -2.142 1148 HE2 HIS 146 HE2 HIS 146 -7.925 -24.094 -3.881 1149 H HIS 147 HN HIS 147 -5.632 -28.902 -0.537 1150 HA HIS 147 HA HIS 147 -3.351 -27.265 -1.261 1151 HB2 HIS 147 2HB HIS 147 -3.962 -30.183 -1.931 1152 HB3 HIS 147 1HB HIS 147 -2.426 -29.370 -2.220 1153 HD1 HIS 147 HD1 HIS 147 -3.838 -31.646 0.055 1154 HD2 HIS 147 HD2 HIS 147 -1.444 -28.274 0.494 1155 HE1 HIS 147 HE1 HIS 147 -2.776 -31.861 2.319 1156 HE2 HIS 147 HE2 HIS 147 -1.466 -29.736 2.627 Start of MODEL 16 1 H1 MET 1 1H MET 1 -15.897 12.580 19.434 2 H2 MET 1 2H MET 1 -15.945 13.934 20.439 3 H3 MET 1 3H MET 1 -17.100 13.749 19.224 4 HA MET 1 HA MET 1 -16.748 11.987 21.566 5 HB2 MET 1 2HB MET 1 -18.935 12.980 22.322 6 HB3 MET 1 1HB MET 1 -17.598 14.118 22.311 7 HG2 MET 1 2HG MET 1 -18.451 14.991 20.105 8 HG3 MET 1 1HG MET 1 -19.850 13.937 20.294 9 HE1 MET 1 3HE MET 1 -18.910 17.447 23.157 10 HE2 MET 1 1HE MET 1 -17.914 17.051 21.751 11 HE3 MET 1 2HE MET 1 -17.967 15.963 23.141 12 H ALA 2 HN ALA 2 -17.396 11.897 18.397 13 HA ALA 2 HA ALA 2 -19.021 9.441 18.655 14 HB1 ALA 2 3HB ALA 2 -19.455 11.597 16.540 15 HB2 ALA 2 1HB ALA 2 -20.560 11.206 17.858 16 HB3 ALA 2 2HB ALA 2 -20.259 10.025 16.581 17 H TYR 3 HN TYR 3 -18.916 8.500 16.130 18 HA TYR 3 HA TYR 3 -16.167 8.696 15.106 19 HB2 TYR 3 2HB TYR 3 -15.956 6.185 15.045 20 HB3 TYR 3 1HB TYR 3 -15.970 6.849 16.672 21 HD1 TYR 3 HD2 TYR 3 -18.199 6.703 18.016 22 HD2 TYR 3 HD1 TYR 3 -17.504 4.451 14.435 23 HE1 TYR 3 HE2 TYR 3 -20.032 5.174 18.616 24 HE2 TYR 3 HE1 TYR 3 -19.334 2.926 15.036 25 HH TYR 3 HH TYR 3 -21.607 3.646 17.434 26 H ASN 4 HN ASN 4 -16.772 9.559 13.218 27 HA ASN 4 HA ASN 4 -18.430 7.960 11.339 28 HB2 ASN 4 2HB ASN 4 -17.566 10.895 11.213 29 HB3 ASN 4 1HB ASN 4 -18.462 10.066 9.943 30 HD21 ASN 4 1HD2 ASN 4 -20.671 9.617 10.267 31 HD22 ASN 4 2HD2 ASN 4 -21.578 10.329 11.551 32 H LYS 5 HN LYS 5 -17.357 7.043 9.575 33 HA LYS 5 HA LYS 5 -14.609 6.514 9.865 34 HB2 LYS 5 2HB LYS 5 -16.258 6.168 7.333 35 HB3 LYS 5 1HB LYS 5 -14.714 5.391 7.678 36 HG2 LYS 5 2HG LYS 5 -15.867 4.290 9.673 37 HG3 LYS 5 1HG LYS 5 -17.389 4.880 9.009 38 HD2 LYS 5 2HD LYS 5 -15.452 2.936 7.691 39 HD3 LYS 5 1HD LYS 5 -17.027 2.552 8.374 40 HE2 LYS 5 2HE LYS 5 -17.443 2.594 6.061 41 HE3 LYS 5 1HE LYS 5 -17.967 4.192 6.573 42 HZ1 LYS 5 3HZ LYS 5 -15.315 3.580 5.391 43 HZ2 LYS 5 1HZ LYS 5 -15.919 5.115 5.762 44 HZ3 LYS 5 2HZ LYS 5 -16.631 4.201 4.537 45 H GLU 6 HN GLU 6 -16.268 8.886 7.923 46 HA GLU 6 HA GLU 6 -14.232 9.847 6.279 47 HB2 GLU 6 2HB GLU 6 -15.512 11.938 6.098 48 HB3 GLU 6 1HB GLU 6 -16.567 10.530 6.011 49 HG2 GLU 6 2HG GLU 6 -17.390 10.892 8.236 50 HG3 GLU 6 1HG GLU 6 -16.181 12.133 8.559 51 H GLU 7 HN GLU 7 -14.917 10.685 9.682 52 HA GLU 7 HA GLU 7 -13.049 12.735 10.091 53 HB2 GLU 7 2HB GLU 7 -14.682 12.186 11.814 54 HB3 GLU 7 1HB GLU 7 -14.053 10.547 11.957 55 HG2 GLU 7 2HG GLU 7 -11.887 11.546 12.812 56 HG3 GLU 7 1HG GLU 7 -12.692 13.114 12.836 57 H LYS 8 HN LYS 8 -12.709 9.233 10.234 58 HA LYS 8 HA LYS 8 -10.034 9.125 11.256 59 HB2 LYS 8 2HB LYS 8 -11.681 7.022 9.767 60 HB3 LYS 8 1HB LYS 8 -10.063 6.715 10.387 61 HG2 LYS 8 2HG LYS 8 -11.608 5.781 11.943 62 HG3 LYS 8 1HG LYS 8 -10.912 7.218 12.692 63 HD2 LYS 8 2HD LYS 8 -12.962 8.496 12.105 64 HD3 LYS 8 1HD LYS 8 -13.656 7.044 11.385 65 HE2 LYS 8 2HE LYS 8 -14.581 7.356 13.598 66 HE3 LYS 8 1HE LYS 8 -13.533 5.934 13.621 67 HZ1 LYS 8 3HZ LYS 8 -13.154 7.290 15.559 68 HZ2 LYS 8 1HZ LYS 8 -12.814 8.644 14.604 69 HZ3 LYS 8 2HZ LYS 8 -11.774 7.311 14.583 70 H ILE 9 HN ILE 9 -11.470 8.873 8.044 71 HA ILE 9 HA ILE 9 -9.192 8.637 6.457 72 HB ILE 9 HB ILE 9 -11.961 9.775 5.917 73 HG12 ILE 9 2HG1 ILE 9 -11.928 7.376 6.374 74 HG13 ILE 9 1HG1 ILE 9 -12.273 7.625 4.668 75 HG21 ILE 9 1HG2 ILE 9 -9.782 9.342 3.850 76 HG22 ILE 9 2HG2 ILE 9 -10.518 10.881 4.304 77 HG23 ILE 9 3HG2 ILE 9 -11.482 9.653 3.485 78 HD11 ILE 9 3HD1 ILE 9 -10.776 5.768 4.978 79 HD12 ILE 9 1HD1 ILE 9 -9.631 6.788 5.854 80 HD13 ILE 9 2HD1 ILE 9 -9.938 7.073 4.138 81 H LYS 10 HN LYS 10 -10.855 11.619 7.585 82 HA LYS 10 HA LYS 10 -9.332 13.410 5.978 83 HB2 LYS 10 2HB LYS 10 -11.101 13.860 8.405 84 HB3 LYS 10 1HB LYS 10 -10.248 15.190 7.619 85 HG2 LYS 10 2HG LYS 10 -11.413 14.646 5.487 86 HG3 LYS 10 1HG LYS 10 -12.304 13.373 6.329 87 HD2 LYS 10 2HD LYS 10 -13.346 15.039 7.808 88 HD3 LYS 10 1HD LYS 10 -12.412 16.334 7.047 89 HE2 LYS 10 2HE LYS 10 -14.679 16.329 6.154 90 HE3 LYS 10 1HE LYS 10 -13.556 15.843 4.883 91 HZ1 LYS 10 3HZ LYS 10 -14.145 13.504 5.441 92 HZ2 LYS 10 1HZ LYS 10 -15.425 14.409 4.810 93 HZ3 LYS 10 2HZ LYS 10 -15.352 14.090 6.466 94 H SER 11 HN SER 11 -8.993 12.287 9.303 95 HA SER 11 HA SER 11 -6.726 13.814 10.068 96 HB2 SER 11 2HB SER 11 -7.429 10.981 10.991 97 HB3 SER 11 1HB SER 11 -6.453 12.170 11.865 98 HG SER 11 HG SER 11 -9.137 12.672 11.132 99 H LEU 12 HN LEU 12 -7.003 10.448 8.994 100 HA LEU 12 HA LEU 12 -4.486 9.576 8.617 101 HB2 LEU 12 2HB LEU 12 -6.466 8.212 8.360 102 HB3 LEU 12 1HB LEU 12 -6.982 9.146 6.973 103 HG LEU 12 HG LEU 12 -4.804 8.247 5.824 104 HD11 LEU 12 1HD1 LEU 12 -3.732 7.328 7.805 105 HD12 LEU 12 2HD1 LEU 12 -4.025 6.070 6.611 106 HD13 LEU 12 3HD1 LEU 12 -5.064 6.188 8.034 107 HD21 LEU 12 3HD2 LEU 12 -6.031 6.241 5.048 108 HD22 LEU 12 1HD2 LEU 12 -7.030 7.692 5.069 109 HD23 LEU 12 2HD2 LEU 12 -7.216 6.481 6.339 110 H ASN 13 HN ASN 13 -6.351 11.482 6.255 111 HA ASN 13 HA ASN 13 -4.602 11.051 4.059 112 HB2 ASN 13 2HB ASN 13 -6.944 12.899 4.534 113 HB3 ASN 13 1HB ASN 13 -5.928 13.148 3.120 114 HD21 ASN 13 1HD2 ASN 13 -6.897 9.987 4.544 115 HD22 ASN 13 2HD2 ASN 13 -7.777 9.485 3.146 116 H ARG 14 HN ARG 14 -4.691 13.431 6.634 117 HA ARG 14 HA ARG 14 -2.786 15.245 5.548 118 HB2 ARG 14 2HB ARG 14 -3.426 14.658 8.474 119 HB3 ARG 14 1HB ARG 14 -2.520 16.053 7.885 120 HG2 ARG 14 2HG ARG 14 -4.531 16.821 6.647 121 HG3 ARG 14 1HG ARG 14 -5.438 15.446 7.282 122 HD2 ARG 14 2HD ARG 14 -5.980 17.388 8.608 123 HD3 ARG 14 1HD ARG 14 -4.999 16.309 9.603 124 HE ARG 14 HE ARG 14 -4.037 18.797 8.307 125 HH11 ARG 14 1HH1 ARG 14 -3.632 16.390 10.849 126 HH12 ARG 14 2HH1 ARG 14 -2.445 17.328 11.695 127 HH21 ARG 14 1HH2 ARG 14 -2.505 19.992 9.417 128 HH22 ARG 14 2HH2 ARG 14 -1.804 19.378 10.882 129 H MET 15 HN MET 15 -2.452 12.226 7.409 130 HA MET 15 HA MET 15 0.382 12.416 7.829 131 HB2 MET 15 2HB MET 15 -1.476 9.991 7.872 132 HB3 MET 15 1HB MET 15 0.238 9.907 8.259 133 HG2 MET 15 2HG MET 15 -1.010 9.938 10.297 134 HG3 MET 15 1HG MET 15 -0.161 11.482 10.148 135 HE1 MET 15 3HE MET 15 -1.854 12.452 12.125 136 HE2 MET 15 1HE MET 15 -2.590 10.854 12.159 137 HE3 MET 15 2HE MET 15 -3.608 12.285 11.993 138 H GLN 16 HN GLN 16 -1.626 10.461 5.639 139 HA GLN 16 HA GLN 16 0.410 9.184 4.217 140 HB2 GLN 16 2HB GLN 16 -2.478 9.775 3.508 141 HB3 GLN 16 1HB GLN 16 -1.420 8.833 2.461 142 HG2 GLN 16 2HG GLN 16 -1.058 7.280 4.457 143 HG3 GLN 16 1HG GLN 16 -2.418 8.120 5.218 144 HE21 GLN 16 1HE2 GLN 16 -3.489 5.975 5.130 145 HE22 GLN 16 2HE2 GLN 16 -4.192 5.436 3.649 146 H TYR 17 HN TYR 17 -1.578 11.967 3.266 147 HA TYR 17 HA TYR 17 -0.354 12.465 0.770 148 HB2 TYR 17 2HB TYR 17 -2.484 13.590 1.462 149 HB3 TYR 17 1HB TYR 17 -1.567 14.628 2.548 150 HD1 TYR 17 HD1 TYR 17 -2.078 13.754 -1.051 151 HD2 TYR 17 HD2 TYR 17 -0.463 16.613 1.694 152 HE1 TYR 17 HE1 TYR 17 -1.715 15.323 -2.898 153 HE2 TYR 17 HE2 TYR 17 -0.100 18.178 -0.161 154 HH TYR 17 HH TYR 17 -1.472 17.759 -3.227 155 H GLU 18 HN GLU 18 0.473 13.803 3.989 156 HA GLU 18 HA GLU 18 2.622 15.442 3.102 157 HB2 GLU 18 2HB GLU 18 1.463 15.702 5.291 158 HB3 GLU 18 1HB GLU 18 2.183 14.194 5.848 159 HG2 GLU 18 2HG GLU 18 4.442 15.229 5.618 160 HG3 GLU 18 1HG GLU 18 3.682 16.741 5.126 161 H VAL 19 HN VAL 19 2.443 12.027 3.954 162 HA VAL 19 HA VAL 19 5.313 11.682 4.269 163 HB VAL 19 HB VAL 19 2.980 9.717 4.325 164 HG11 VAL 19 1HG1 VAL 19 5.914 9.002 4.644 165 HG12 VAL 19 2HG1 VAL 19 4.907 8.564 3.261 166 HG13 VAL 19 3HG1 VAL 19 4.544 7.904 4.862 167 HG21 VAL 19 3HG2 VAL 19 4.983 10.531 6.464 168 HG22 VAL 19 1HG2 VAL 19 3.659 9.378 6.676 169 HG23 VAL 19 2HG2 VAL 19 3.307 11.084 6.364 170 H THR 20 HN THR 20 2.930 10.194 2.048 171 HA THR 20 HA THR 20 4.664 9.019 0.263 172 HB THR 20 HB THR 20 1.915 10.111 -0.486 173 HG1 THR 20 HG1 THR 20 1.637 7.631 0.250 174 HG21 THR 20 3HG2 THR 20 3.429 7.659 -1.465 175 HG22 THR 20 1HG2 THR 20 3.189 9.147 -2.384 176 HG23 THR 20 2HG2 THR 20 1.806 8.136 -1.963 177 H GLN 21 HN GLN 21 3.556 12.364 0.294 178 HA GLN 21 HA GLN 21 4.447 12.953 -2.420 179 HB2 GLN 21 2HB GLN 21 2.447 14.033 -1.639 180 HB3 GLN 21 1HB GLN 21 3.247 14.642 -0.208 181 HG2 GLN 21 2HG GLN 21 4.257 15.599 -2.862 182 HG3 GLN 21 1HG GLN 21 2.683 16.189 -2.331 183 HE21 GLN 21 1HE2 GLN 21 2.583 17.324 -0.304 184 HE22 GLN 21 2HE2 GLN 21 3.959 18.197 0.268 185 H ASN 22 HN ASN 22 5.712 13.170 0.808 186 HA ASN 22 HA ASN 22 8.096 14.707 -0.022 187 HB2 ASN 22 2HB ASN 22 6.916 15.301 2.117 188 HB3 ASN 22 1HB ASN 22 7.240 13.684 2.735 189 HD21 ASN 22 1HD2 ASN 22 8.625 14.043 4.370 190 HD22 ASN 22 2HD2 ASN 22 10.119 14.905 4.256 191 H ASN 23 HN ASN 23 7.065 11.534 -0.016 192 HA ASN 23 HA ASN 23 7.767 9.449 0.333 193 HB2 ASN 23 2HB ASN 23 9.764 8.699 -0.746 194 HB3 ASN 23 1HB ASN 23 9.196 10.065 -1.681 195 HD21 ASN 23 1HD2 ASN 23 10.459 11.960 -1.726 196 HD22 ASN 23 2HD2 ASN 23 12.103 11.980 -1.200 197 H GLY 24 HN GLY 24 7.760 11.185 2.543 198 HA2 GLY 24 2HA GLY 24 10.036 10.850 4.240 199 HA3 GLY 24 1HA GLY 24 8.475 11.529 4.671 200 H THR 25 HN THR 25 9.483 10.122 6.537 201 HA THR 25 HA THR 25 7.667 7.841 6.708 202 HB THR 25 HB THR 25 9.708 6.704 5.953 203 HG1 THR 25 HG1 THR 25 9.754 6.019 8.662 204 HG21 THR 25 3HG2 THR 25 11.795 6.698 7.265 205 HG22 THR 25 1HG2 THR 25 11.109 7.881 8.381 206 HG23 THR 25 2HG2 THR 25 11.419 8.328 6.702 207 H GLU 26 HN GLU 26 7.000 7.374 8.749 208 HA GLU 26 HA GLU 26 7.872 9.127 10.971 209 HB2 GLU 26 2HB GLU 26 5.158 7.794 10.488 210 HB3 GLU 26 1HB GLU 26 5.578 8.799 11.876 211 HG2 GLU 26 2HG GLU 26 5.968 10.709 10.271 212 HG3 GLU 26 1HG GLU 26 5.329 9.687 8.983 213 HA PRO 27 HA PRO 27 9.206 5.354 13.128 214 HB2 PRO 27 2HB PRO 27 8.289 5.964 15.723 215 HB3 PRO 27 1HB PRO 27 9.834 6.490 15.048 216 HG2 PRO 27 2HG PRO 27 7.227 7.985 15.205 217 HG3 PRO 27 1HG PRO 27 8.875 8.580 15.511 218 HD2 PRO 27 2HD PRO 27 7.639 9.141 13.202 219 HD3 PRO 27 1HD PRO 27 9.375 8.737 13.205 220 HA PRO 28 HA PRO 28 5.622 2.830 12.571 221 HB2 PRO 28 2HB PRO 28 6.741 0.786 14.462 222 HB3 PRO 28 1HB PRO 28 6.375 0.648 12.735 223 HG2 PRO 28 2HG PRO 28 8.915 0.800 13.584 224 HG3 PRO 28 1HG PRO 28 8.405 1.596 12.080 225 HD2 PRO 28 2HD PRO 28 8.862 2.828 14.808 226 HD3 PRO 28 1HD PRO 28 9.360 3.419 13.203 227 H PHE 29 HN PHE 29 4.229 4.328 13.699 228 HA PHE 29 HA PHE 29 3.474 4.082 16.437 229 HB2 PHE 29 2HB PHE 29 1.961 5.271 14.069 230 HB3 PHE 29 1HB PHE 29 1.492 5.471 15.752 231 HD1 PHE 29 HD1 PHE 29 3.750 6.272 17.240 232 HD2 PHE 29 HD2 PHE 29 2.854 7.233 13.160 233 HE1 PHE 29 HE1 PHE 29 5.086 8.330 17.420 234 HE2 PHE 29 HE2 PHE 29 4.200 9.278 13.355 235 HZ PHE 29 HZ PHE 29 5.308 9.828 15.478 236 H GLN 30 HN GLN 30 2.421 2.634 13.429 237 HA GLN 30 HA GLN 30 -0.023 1.475 14.205 238 HB2 GLN 30 2HB GLN 30 0.630 1.760 11.858 239 HB3 GLN 30 1HB GLN 30 2.014 0.695 12.068 240 HG2 GLN 30 2HG GLN 30 0.492 -1.213 12.431 241 HG3 GLN 30 1HG GLN 30 -0.897 -0.142 12.222 242 HE21 GLN 30 1HE2 GLN 30 -1.593 -1.443 10.474 243 HE22 GLN 30 2HE2 GLN 30 -0.845 -1.348 8.917 244 H ASN 31 HN ASN 31 3.144 -0.175 13.734 245 HA ASN 31 HA ASN 31 2.912 -1.729 16.146 246 HB2 ASN 31 2HB ASN 31 1.379 -2.943 14.536 247 HB3 ASN 31 1HB ASN 31 2.764 -3.236 13.495 248 HD21 ASN 31 1HD2 ASN 31 3.090 -3.428 17.017 249 HD22 ASN 31 2HD2 ASN 31 3.245 -5.146 17.077 250 H GLU 32 HN GLU 32 4.861 -2.901 16.590 251 HA GLU 32 HA GLU 32 7.001 -1.155 16.337 252 HB2 GLU 32 2HB GLU 32 7.114 -4.073 17.200 253 HB3 GLU 32 1HB GLU 32 8.291 -2.827 17.604 254 HG2 GLU 32 2HG GLU 32 5.388 -2.847 18.494 255 HG3 GLU 32 1HG GLU 32 6.756 -3.364 19.477 256 H TYR 33 HN TYR 33 6.966 -4.512 15.156 257 HA TYR 33 HA TYR 33 8.790 -3.783 12.930 258 HB2 TYR 33 2HB TYR 33 8.475 -6.512 14.266 259 HB3 TYR 33 1HB TYR 33 9.646 -6.090 13.023 260 HD1 TYR 33 HD2 TYR 33 11.635 -4.703 13.601 261 HD2 TYR 33 HD1 TYR 33 8.865 -5.924 16.610 262 HE1 TYR 33 HE2 TYR 33 13.289 -4.186 15.331 263 HE2 TYR 33 HE1 TYR 33 10.515 -5.391 18.344 264 HH TYR 33 HH TYR 33 13.429 -3.692 17.652 265 H TRP 34 HN TRP 34 5.742 -3.859 13.284 266 HA TRP 34 HA TRP 34 3.822 -4.591 12.391 267 HB2 TRP 34 2HB TRP 34 5.621 -5.134 9.983 268 HB3 TRP 34 1HB TRP 34 3.856 -5.183 9.928 269 HD1 TRP 34 HD1 TRP 34 2.549 -2.809 10.246 270 HE1 TRP 34 HE1 TRP 34 3.298 -0.381 9.863 271 HE3 TRP 34 HE3 TRP 34 7.619 -3.526 10.038 272 HZ2 TRP 34 HZ2 TRP 34 5.693 1.051 9.511 273 HZ3 TRP 34 HZ3 TRP 34 9.071 -1.568 9.668 274 HH2 TRP 34 HH2 TRP 34 8.126 0.678 9.409 275 H ASP 35 HN ASP 35 4.718 -6.124 14.167 276 HA ASP 35 HA ASP 35 5.522 -8.769 13.686 277 HB2 ASP 35 2HB ASP 35 4.035 -7.735 16.131 278 HB3 ASP 35 1HB ASP 35 5.126 -9.115 16.063 279 H HIS 36 HN HIS 36 2.380 -7.270 13.798 280 HA HIS 36 HA HIS 36 0.818 -9.695 13.901 281 HB2 HIS 36 2HB HIS 36 0.070 -6.826 13.202 282 HB3 HIS 36 1HB HIS 36 -1.092 -8.150 13.228 283 HD1 HIS 36 HD1 HIS 36 0.231 -5.563 15.350 284 HD2 HIS 36 HD2 HIS 36 -1.133 -9.444 15.949 285 HE1 HIS 36 HE1 HIS 36 -0.344 -5.706 17.786 286 HE2 HIS 36 HE2 HIS 36 -1.024 -8.100 18.153 287 H LYS 37 HN LYS 37 1.818 -10.903 12.384 288 HA LYS 37 HA LYS 37 1.604 -10.244 9.499 289 HB2 LYS 37 2HB LYS 37 3.886 -10.681 10.533 290 HB3 LYS 37 1HB LYS 37 3.339 -12.295 10.966 291 HG2 LYS 37 2HG LYS 37 3.115 -12.860 8.567 292 HG3 LYS 37 1HG LYS 37 3.645 -11.232 8.135 293 HD2 LYS 37 2HD LYS 37 5.502 -12.821 7.936 294 HD3 LYS 37 1HD LYS 37 5.830 -11.642 9.208 295 HE2 LYS 37 2HE LYS 37 5.079 -13.357 10.895 296 HE3 LYS 37 1HE LYS 37 4.923 -14.528 9.583 297 HZ1 LYS 37 3HZ LYS 37 7.406 -13.150 10.425 298 HZ2 LYS 37 1HZ LYS 37 7.283 -14.208 9.110 299 HZ3 LYS 37 2HZ LYS 37 7.019 -14.777 10.682 300 H GLU 38 HN GLU 38 -0.707 -10.877 10.695 301 HA GLU 38 HA GLU 38 -1.061 -13.727 11.181 302 HB2 GLU 38 2HB GLU 38 -3.127 -11.504 11.497 303 HB3 GLU 38 1HB GLU 38 -3.122 -13.083 12.270 304 HG2 GLU 38 2HG GLU 38 -1.261 -10.766 12.834 305 HG3 GLU 38 1HG GLU 38 -2.509 -11.403 13.899 306 H GLU 39 HN GLU 39 -3.560 -14.389 10.572 307 HA GLU 39 HA GLU 39 -4.039 -14.324 7.767 308 HB2 GLU 39 2HB GLU 39 -6.451 -14.913 8.424 309 HB3 GLU 39 1HB GLU 39 -5.220 -16.019 9.022 310 HG2 GLU 39 2HG GLU 39 -5.424 -15.266 11.245 311 HG3 GLU 39 1HG GLU 39 -6.216 -13.768 10.775 312 H GLY 40 HN GLY 40 -4.363 -12.464 6.665 313 HA2 GLY 40 2HA GLY 40 -6.505 -10.767 6.846 314 HA3 GLY 40 1HA GLY 40 -5.292 -10.015 7.884 315 H LEU 41 HN LEU 41 -5.375 -8.233 6.384 316 HA LEU 41 HA LEU 41 -3.795 -8.672 3.930 317 HB2 LEU 41 2HB LEU 41 -6.436 -7.229 4.211 318 HB3 LEU 41 1HB LEU 41 -5.318 -6.802 2.924 319 HG LEU 41 HG LEU 41 -6.395 -9.628 3.296 320 HD11 LEU 41 1HD1 LEU 41 -7.401 -7.431 1.487 321 HD12 LEU 41 2HD1 LEU 41 -8.244 -8.125 2.875 322 HD13 LEU 41 3HD1 LEU 41 -7.919 -9.115 1.459 323 HD21 LEU 41 3HD2 LEU 41 -5.624 -9.961 0.982 324 HD22 LEU 41 1HD2 LEU 41 -4.282 -9.481 2.023 325 HD23 LEU 41 2HD2 LEU 41 -5.013 -8.305 0.927 326 H TYR 42 HN TYR 42 -2.640 -7.050 3.233 327 HA TYR 42 HA TYR 42 -1.895 -4.804 4.987 328 HB2 TYR 42 2HB TYR 42 -0.093 -6.299 4.247 329 HB3 TYR 42 1HB TYR 42 -0.649 -6.248 2.594 330 HD1 TYR 42 HD2 TYR 42 -0.397 -3.962 1.318 331 HD2 TYR 42 HD1 TYR 42 1.666 -4.901 4.938 332 HE1 TYR 42 HE2 TYR 42 1.353 -2.344 0.737 333 HE2 TYR 42 HE1 TYR 42 3.408 -3.299 4.355 334 HH TYR 42 HH TYR 42 3.085 -0.949 2.195 335 H VAL 43 HN VAL 43 -3.081 -2.940 4.487 336 HA VAL 43 HA VAL 43 -4.040 -2.542 1.700 337 HB VAL 43 HB VAL 43 -6.274 -1.966 2.369 338 HG11 VAL 43 1HG1 VAL 43 -7.172 -4.037 3.315 339 HG12 VAL 43 2HG1 VAL 43 -5.579 -4.472 3.943 340 HG13 VAL 43 3HG1 VAL 43 -5.845 -4.402 2.202 341 HG21 VAL 43 3HG2 VAL 43 -7.074 -1.909 4.728 342 HG22 VAL 43 1HG2 VAL 43 -5.820 -0.705 4.422 343 HG23 VAL 43 2HG2 VAL 43 -5.421 -2.190 5.285 344 H ASP 44 HN ASP 44 -4.851 -0.350 1.290 345 HA ASP 44 HA ASP 44 -3.475 1.761 2.815 346 HB2 ASP 44 2HB ASP 44 -2.890 1.647 0.414 347 HB3 ASP 44 1HB ASP 44 -4.575 1.840 -0.017 348 H ILE 45 HN ILE 45 -4.725 2.564 4.228 349 HA ILE 45 HA ILE 45 -7.348 1.907 4.767 350 HB ILE 45 HB ILE 45 -5.931 4.405 5.770 351 HG12 ILE 45 2HG1 ILE 45 -5.925 1.632 7.025 352 HG13 ILE 45 1HG1 ILE 45 -4.613 2.268 6.041 353 HG21 ILE 45 1HG2 ILE 45 -8.330 4.434 6.353 354 HG22 ILE 45 2HG2 ILE 45 -7.351 4.193 7.798 355 HG23 ILE 45 3HG2 ILE 45 -8.198 2.825 7.071 356 HD11 ILE 45 3HD1 ILE 45 -4.224 4.027 7.677 357 HD12 ILE 45 1HD1 ILE 45 -4.124 2.425 8.402 358 HD13 ILE 45 2HD1 ILE 45 -5.558 3.418 8.665 359 H VAL 46 HN VAL 46 -6.257 4.678 2.862 360 HA VAL 46 HA VAL 46 -8.362 6.481 3.014 361 HB VAL 46 HB VAL 46 -7.729 7.239 0.678 362 HG11 VAL 46 1HG1 VAL 46 -5.446 7.990 1.289 363 HG12 VAL 46 2HG1 VAL 46 -5.425 6.832 2.617 364 HG13 VAL 46 3HG1 VAL 46 -6.574 8.169 2.635 365 HG21 VAL 46 3HG2 VAL 46 -5.804 4.857 0.789 366 HG22 VAL 46 1HG2 VAL 46 -5.752 6.157 -0.420 367 HG23 VAL 46 2HG2 VAL 46 -7.151 5.086 -0.331 368 H SER 47 HN SER 47 -8.336 3.465 1.252 369 HA SER 47 HA SER 47 -11.218 3.677 0.830 370 HB2 SER 47 2HB SER 47 -10.876 2.718 -1.561 371 HB3 SER 47 1HB SER 47 -10.535 4.431 -1.326 372 HG SER 47 HG SER 47 -8.399 4.052 -1.460 373 H GLY 48 HN GLY 48 -8.854 2.064 2.257 374 HA2 GLY 48 2HA GLY 48 -8.587 -0.025 3.133 375 HA3 GLY 48 1HA GLY 48 -10.286 -0.294 2.771 376 H LYS 49 HN LYS 49 -7.659 0.364 0.539 377 HA LYS 49 HA LYS 49 -8.583 -1.818 -1.167 378 HB2 LYS 49 2HB LYS 49 -7.129 -0.714 -2.892 379 HB3 LYS 49 1HB LYS 49 -8.387 0.322 -2.241 380 HG2 LYS 49 2HG LYS 49 -6.694 1.405 -0.769 381 HG3 LYS 49 1HG LYS 49 -5.445 0.411 -1.519 382 HD2 LYS 49 2HD LYS 49 -7.203 2.405 -3.013 383 HD3 LYS 49 1HD LYS 49 -5.578 2.748 -2.427 384 HE2 LYS 49 2HE LYS 49 -5.329 2.251 -4.738 385 HE3 LYS 49 1HE LYS 49 -4.777 0.806 -3.896 386 HZ1 LYS 49 3HZ LYS 49 -6.823 -0.273 -4.407 387 HZ2 LYS 49 1HZ LYS 49 -6.187 0.367 -5.831 388 HZ3 LYS 49 2HZ LYS 49 -7.480 1.134 -5.064 389 HA PRO 50 HA PRO 50 -5.230 -4.367 0.550 390 HB2 PRO 50 2HB PRO 50 -6.132 -6.381 -1.481 391 HB3 PRO 50 1HB PRO 50 -6.016 -6.528 0.278 392 HG2 PRO 50 2HG PRO 50 -8.409 -6.314 -0.927 393 HG3 PRO 50 1HG PRO 50 -8.105 -5.521 0.635 394 HD2 PRO 50 2HD PRO 50 -8.096 -4.306 -2.141 395 HD3 PRO 50 1HD PRO 50 -8.836 -3.689 -0.643 396 H LEU 51 HN LEU 51 -3.161 -4.129 0.001 397 HA LEU 51 HA LEU 51 -2.353 -3.724 -2.818 398 HB2 LEU 51 2HB LEU 51 -0.927 -2.840 -0.273 399 HB3 LEU 51 1HB LEU 51 -0.487 -2.420 -1.927 400 HG LEU 51 HG LEU 51 -2.963 -1.511 -0.424 401 HD11 LEU 51 1HD1 LEU 51 -0.930 -0.404 0.302 402 HD12 LEU 51 2HD1 LEU 51 -1.966 0.719 -0.579 403 HD13 LEU 51 3HD1 LEU 51 -0.536 0.038 -1.363 404 HD21 LEU 51 3HD2 LEU 51 -3.548 -0.185 -2.411 405 HD22 LEU 51 1HD2 LEU 51 -3.526 -1.908 -2.800 406 HD23 LEU 51 2HD2 LEU 51 -2.185 -0.872 -3.299 407 H PHE 52 HN PHE 52 -2.030 -5.723 -0.067 408 HA PHE 52 HA PHE 52 -0.369 -7.660 -1.373 409 HB2 PHE 52 2HB PHE 52 1.294 -5.871 -0.601 410 HB3 PHE 52 1HB PHE 52 0.813 -6.220 1.045 411 HD1 PHE 52 HD1 PHE 52 1.837 -8.285 -1.933 412 HD2 PHE 52 HD2 PHE 52 2.456 -7.373 2.202 413 HE1 PHE 52 HE1 PHE 52 3.665 -9.921 -1.832 414 HE2 PHE 52 HE2 PHE 52 4.277 -9.012 2.279 415 HZ PHE 52 HZ PHE 52 4.882 -10.282 0.266 416 H THR 53 HN THR 53 -0.331 -9.642 -0.025 417 HA THR 53 HA THR 53 -2.485 -9.701 1.972 418 HB THR 53 HB THR 53 -0.905 -12.058 0.827 419 HG1 THR 53 HG1 THR 53 -2.098 -11.858 -0.918 420 HG21 THR 53 3HG2 THR 53 -3.654 -11.912 2.131 421 HG22 THR 53 1HG2 THR 53 -2.196 -12.583 2.874 422 HG23 THR 53 2HG2 THR 53 -2.902 -13.361 1.456 423 H SER 54 HN SER 54 -2.214 -10.416 4.130 424 HA SER 54 HA SER 54 0.330 -9.851 5.329 425 HB2 SER 54 2HB SER 54 -1.827 -9.210 6.412 426 HB3 SER 54 1HB SER 54 -2.164 -10.917 6.690 427 HG SER 54 HG SER 54 -0.161 -10.951 7.905 428 H LYS 55 HN LYS 55 -1.352 -12.762 4.424 429 HA LYS 55 HA LYS 55 0.149 -14.795 5.565 430 HB2 LYS 55 2HB LYS 55 -0.870 -14.514 2.715 431 HB3 LYS 55 1HB LYS 55 -0.236 -16.022 3.364 432 HG2 LYS 55 2HG LYS 55 -2.078 -16.328 4.799 433 HG3 LYS 55 1HG LYS 55 -2.559 -14.632 4.701 434 HD2 LYS 55 2HD LYS 55 -4.068 -16.175 3.430 435 HD3 LYS 55 1HD LYS 55 -3.360 -14.907 2.439 436 HE2 LYS 55 2HE LYS 55 -1.668 -16.572 1.620 437 HE3 LYS 55 1HE LYS 55 -2.518 -17.824 2.529 438 HZ1 LYS 55 3HZ LYS 55 -3.182 -17.779 0.220 439 HZ2 LYS 55 1HZ LYS 55 -3.669 -16.166 0.355 440 HZ3 LYS 55 2HZ LYS 55 -4.492 -17.371 1.212 441 H ASP 56 HN ASP 56 0.994 -12.610 2.960 442 HA ASP 56 HA ASP 56 3.506 -13.995 2.325 443 HB2 ASP 56 2HB ASP 56 1.901 -11.823 0.914 444 HB3 ASP 56 1HB ASP 56 3.475 -12.371 0.349 445 H LYS 57 HN LYS 57 2.905 -12.004 4.703 446 HA LYS 57 HA LYS 57 4.519 -9.652 4.039 447 HB2 LYS 57 2HB LYS 57 2.972 -10.518 6.494 448 HB3 LYS 57 1HB LYS 57 4.201 -9.276 6.661 449 HG2 LYS 57 2HG LYS 57 1.868 -9.085 4.747 450 HG3 LYS 57 1HG LYS 57 1.864 -8.416 6.377 451 HD2 LYS 57 2HD LYS 57 3.829 -7.623 4.194 452 HD3 LYS 57 1HD LYS 57 2.349 -6.751 4.565 453 HE2 LYS 57 2HE LYS 57 4.058 -5.535 5.650 454 HE3 LYS 57 1HE LYS 57 3.291 -6.455 6.941 455 HZ1 LYS 57 3HZ LYS 57 5.785 -7.265 5.554 456 HZ2 LYS 57 1HZ LYS 57 5.096 -8.008 6.909 457 HZ3 LYS 57 2HZ LYS 57 5.732 -6.447 7.031 458 H PHE 58 HN PHE 58 6.599 -9.232 4.766 459 HA PHE 58 HA PHE 58 7.970 -11.143 6.519 460 HB2 PHE 58 2HB PHE 58 8.244 -11.772 3.985 461 HB3 PHE 58 1HB PHE 58 9.283 -10.359 3.879 462 HD1 PHE 58 HD2 PHE 58 8.861 -13.665 5.539 463 HD2 PHE 58 HD1 PHE 58 11.582 -10.473 4.675 464 HE1 PHE 58 HE2 PHE 58 10.735 -15.023 6.379 465 HE2 PHE 58 HE1 PHE 58 13.441 -11.839 5.510 466 HZ PHE 58 HZ PHE 58 13.022 -14.108 6.364 467 H ASP 59 HN ASP 59 10.209 -10.322 7.029 468 HA ASP 59 HA ASP 59 10.266 -7.849 8.237 469 HB2 ASP 59 2HB ASP 59 11.867 -9.599 8.838 470 HB3 ASP 59 1HB ASP 59 12.573 -9.567 7.225 471 H SER 60 HN SER 60 10.432 -5.841 7.507 472 HA SER 60 HA SER 60 11.487 -5.236 4.806 473 HB2 SER 60 2HB SER 60 9.615 -3.600 6.581 474 HB3 SER 60 1HB SER 60 10.077 -3.223 4.918 475 HG SER 60 HG SER 60 9.149 -5.650 4.791 476 H GLN 61 HN GLN 61 13.577 -4.678 4.980 477 HA GLN 61 HA GLN 61 14.651 -3.326 7.351 478 HB2 GLN 61 2HB GLN 61 16.867 -3.772 6.332 479 HB3 GLN 61 1HB GLN 61 15.907 -5.237 6.489 480 HG2 GLN 61 2HG GLN 61 15.402 -5.241 4.112 481 HG3 GLN 61 1HG GLN 61 16.186 -3.676 3.899 482 HE21 GLN 61 1HE2 GLN 61 18.451 -3.566 3.963 483 HE22 GLN 61 2HE2 GLN 61 19.438 -4.972 3.761 484 H CYS 62 HN CYS 62 13.241 -2.339 4.510 485 HA CYS 62 HA CYS 62 14.935 -0.023 3.952 486 HB2 CYS 62 2HB CYS 62 13.901 -1.326 2.101 487 HB3 CYS 62 1HB CYS 62 12.303 -0.905 2.701 488 HG CYS 62 HG CYS 62 12.300 0.846 0.770 489 H GLY 63 HN GLY 63 12.687 -0.638 6.319 490 HA2 GLY 63 2HA GLY 63 11.580 0.804 7.772 491 HA3 GLY 63 1HA GLY 63 11.932 2.156 6.700 492 H TRP 64 HN TRP 64 10.780 1.973 4.501 493 HA TRP 64 HA TRP 64 7.959 1.452 4.716 494 HB2 TRP 64 2HB TRP 64 9.590 1.848 2.159 495 HB3 TRP 64 1HB TRP 64 7.861 2.110 2.362 496 HD1 TRP 64 HD1 TRP 64 7.155 4.338 3.839 497 HE1 TRP 64 HE1 TRP 64 8.401 6.550 4.175 498 HE3 TRP 64 HE3 TRP 64 11.814 2.904 2.310 499 HZ2 TRP 64 HZ2 TRP 64 10.998 7.562 3.873 500 HZ3 TRP 64 HZ3 TRP 64 13.637 4.560 2.363 501 HH2 TRP 64 HH2 TRP 64 13.229 6.854 3.131 502 HA PRO 65 HA PRO 65 8.282 -3.030 3.859 503 HB2 PRO 65 2HB PRO 65 5.525 -2.563 2.740 504 HB3 PRO 65 1HB PRO 65 6.089 -3.824 3.849 505 HG2 PRO 65 2HG PRO 65 4.695 -1.768 4.802 506 HG3 PRO 65 1HG PRO 65 6.096 -2.376 5.706 507 HD2 PRO 65 2HD PRO 65 5.879 0.086 3.983 508 HD3 PRO 65 1HD PRO 65 6.732 -0.137 5.530 509 H SER 66 HN SER 66 9.495 -3.649 2.229 510 HA SER 66 HA SER 66 8.917 -2.765 -0.525 511 HB2 SER 66 2HB SER 66 11.651 -2.990 0.785 512 HB3 SER 66 1HB SER 66 11.375 -2.636 -0.923 513 HG SER 66 HG SER 66 10.121 -1.037 1.016 514 H PHE 67 HN PHE 67 8.275 -4.448 -1.619 515 HA PHE 67 HA PHE 67 9.919 -6.859 -1.792 516 HB2 PHE 67 2HB PHE 67 8.034 -7.242 -0.082 517 HB3 PHE 67 1HB PHE 67 6.892 -7.021 -1.393 518 HD1 PHE 67 HD1 PHE 67 9.759 -9.156 -0.288 519 HD2 PHE 67 HD2 PHE 67 6.232 -8.908 -2.700 520 HE1 PHE 67 HE1 PHE 67 9.914 -11.558 -0.774 521 HE2 PHE 67 HE2 PHE 67 6.393 -11.314 -3.168 522 HZ PHE 67 HZ PHE 67 8.234 -12.642 -2.211 523 H THR 68 HN THR 68 8.931 -8.194 -3.800 524 HA THR 68 HA THR 68 8.880 -6.161 -5.956 525 HB THR 68 HB THR 68 9.816 -8.059 -7.369 526 HG1 THR 68 HG1 THR 68 10.147 -9.951 -6.459 527 HG21 THR 68 3HG2 THR 68 11.479 -7.274 -4.942 528 HG22 THR 68 1HG2 THR 68 11.286 -6.305 -6.409 529 HG23 THR 68 2HG2 THR 68 12.095 -7.870 -6.487 530 H LYS 69 HN LYS 69 6.727 -8.078 -4.448 531 HA LYS 69 HA LYS 69 5.028 -8.492 -6.828 532 HB2 LYS 69 2HB LYS 69 5.916 -10.666 -6.340 533 HB3 LYS 69 1HB LYS 69 5.696 -10.462 -4.613 534 HG2 LYS 69 2HG LYS 69 3.243 -10.627 -4.903 535 HG3 LYS 69 1HG LYS 69 3.462 -10.826 -6.645 536 HD2 LYS 69 2HD LYS 69 4.476 -12.960 -6.395 537 HD3 LYS 69 1HD LYS 69 4.795 -12.710 -4.676 538 HE2 LYS 69 2HE LYS 69 2.945 -14.324 -5.068 539 HE3 LYS 69 1HE LYS 69 2.406 -12.910 -4.166 540 HZ1 LYS 69 3HZ LYS 69 0.819 -13.528 -5.857 541 HZ2 LYS 69 1HZ LYS 69 1.994 -13.383 -7.067 542 HZ3 LYS 69 2HZ LYS 69 1.489 -12.017 -6.214 543 HA PRO 70 HA PRO 70 2.206 -6.410 -3.811 544 HB2 PRO 70 2HB PRO 70 1.253 -4.500 -5.449 545 HB3 PRO 70 1HB PRO 70 2.843 -4.304 -4.695 546 HG2 PRO 70 2HG PRO 70 2.199 -5.272 -7.489 547 HG3 PRO 70 1HG PRO 70 3.396 -4.056 -6.993 548 HD2 PRO 70 2HD PRO 70 4.066 -6.683 -7.485 549 HD3 PRO 70 1HD PRO 70 4.955 -5.662 -6.332 550 H ILE 71 HN ILE 71 -0.204 -5.905 -4.430 551 HA ILE 71 HA ILE 71 -1.348 -8.148 -5.948 552 HB ILE 71 HB ILE 71 -2.740 -5.938 -4.349 553 HG12 ILE 71 2HG1 ILE 71 -2.405 -8.915 -3.785 554 HG13 ILE 71 1HG1 ILE 71 -1.580 -7.616 -2.941 555 HG21 ILE 71 1HG2 ILE 71 -4.856 -7.171 -4.729 556 HG22 ILE 71 2HG2 ILE 71 -4.011 -8.298 -5.793 557 HG23 ILE 71 3HG2 ILE 71 -4.163 -6.599 -6.250 558 HD11 ILE 71 3HD1 ILE 71 -3.384 -8.547 -1.615 559 HD12 ILE 71 1HD1 ILE 71 -4.547 -8.153 -2.879 560 HD13 ILE 71 2HD1 ILE 71 -3.710 -6.859 -2.016 561 H GLU 72 HN GLU 72 -1.285 -7.842 -8.080 562 HA GLU 72 HA GLU 72 -0.688 -5.277 -9.296 563 HB2 GLU 72 2HB GLU 72 0.246 -7.470 -10.096 564 HB3 GLU 72 1HB GLU 72 -1.365 -7.958 -10.607 565 HG2 GLU 72 2HG GLU 72 -1.380 -6.043 -12.217 566 HG3 GLU 72 1HG GLU 72 0.274 -5.664 -11.737 567 H GLU 73 HN GLU 73 -3.498 -7.002 -8.495 568 HA GLU 73 HA GLU 73 -5.345 -6.063 -10.481 569 HB2 GLU 73 2HB GLU 73 -5.782 -7.415 -7.780 570 HB3 GLU 73 1HB GLU 73 -7.026 -7.181 -9.008 571 HG2 GLU 73 2HG GLU 73 -5.972 -8.694 -10.517 572 HG3 GLU 73 1HG GLU 73 -4.485 -8.725 -9.575 573 H GLU 74 HN GLU 74 -4.575 -5.130 -7.070 574 HA GLU 74 HA GLU 74 -6.654 -3.050 -7.200 575 HB2 GLU 74 2HB GLU 74 -6.551 -4.761 -5.338 576 HB3 GLU 74 1HB GLU 74 -5.070 -3.994 -4.784 577 HG2 GLU 74 2HG GLU 74 -6.989 -3.250 -3.474 578 HG3 GLU 74 1HG GLU 74 -6.291 -1.905 -4.381 579 H VAL 75 HN VAL 75 -3.205 -3.454 -6.968 580 HA VAL 75 HA VAL 75 -2.568 -0.671 -6.483 581 HB VAL 75 HB VAL 75 -0.847 -3.052 -7.347 582 HG11 VAL 75 1HG1 VAL 75 1.128 -1.644 -6.845 583 HG12 VAL 75 2HG1 VAL 75 0.067 -0.256 -6.589 584 HG13 VAL 75 3HG1 VAL 75 0.185 -0.994 -8.188 585 HG21 VAL 75 3HG2 VAL 75 -1.721 -3.219 -5.041 586 HG22 VAL 75 1HG2 VAL 75 -1.027 -1.638 -4.664 587 HG23 VAL 75 2HG2 VAL 75 0.034 -2.998 -5.046 588 H GLU 76 HN GLU 76 -1.998 0.838 -8.057 589 HA GLU 76 HA GLU 76 -2.167 0.099 -10.921 590 HB2 GLU 76 2HB GLU 76 -4.269 1.149 -10.278 591 HB3 GLU 76 1HB GLU 76 -3.436 2.449 -9.443 592 HG2 GLU 76 2HG GLU 76 -4.404 3.220 -11.543 593 HG3 GLU 76 1HG GLU 76 -2.647 3.345 -11.576 594 H GLU 77 HN GLU 77 -0.477 0.907 -12.097 595 HA GLU 77 HA GLU 77 1.532 2.550 -10.647 596 HB2 GLU 77 2HB GLU 77 3.278 1.530 -11.959 597 HB3 GLU 77 1HB GLU 77 2.275 0.246 -11.314 598 HG2 GLU 77 2HG GLU 77 2.291 1.257 -14.178 599 HG3 GLU 77 1HG GLU 77 2.964 -0.266 -13.604 600 H LYS 78 HN LYS 78 2.776 4.103 -11.866 601 HA LYS 78 HA LYS 78 1.726 5.081 -14.423 602 HB2 LYS 78 2HB LYS 78 0.311 6.216 -12.742 603 HB3 LYS 78 1HB LYS 78 1.741 6.788 -11.891 604 HG2 LYS 78 2HG LYS 78 2.362 8.135 -13.919 605 HG3 LYS 78 1HG LYS 78 0.864 7.602 -14.688 606 HD2 LYS 78 2HD LYS 78 0.571 9.843 -13.765 607 HD3 LYS 78 1HD LYS 78 -0.438 8.697 -12.879 608 HE2 LYS 78 2HE LYS 78 0.656 10.297 -11.354 609 HE3 LYS 78 1HE LYS 78 1.206 8.654 -11.044 610 HZ1 LYS 78 3HZ LYS 78 3.028 10.237 -11.005 611 HZ2 LYS 78 1HZ LYS 78 2.698 10.711 -12.598 612 HZ3 LYS 78 2HZ LYS 78 3.227 9.138 -12.274 613 H LEU 79 HN LEU 79 3.613 5.141 -15.575 614 HA LEU 79 HA LEU 79 6.176 5.709 -14.427 615 HB2 LEU 79 2HB LEU 79 5.855 4.278 -16.449 616 HB3 LEU 79 1HB LEU 79 5.325 5.690 -17.351 617 HG LEU 79 HG LEU 79 7.582 6.721 -17.061 618 HD11 LEU 79 1HD1 LEU 79 8.347 4.110 -15.728 619 HD12 LEU 79 2HD1 LEU 79 8.240 5.690 -14.951 620 HD13 LEU 79 3HD1 LEU 79 9.461 5.402 -16.187 621 HD21 LEU 79 3HD2 LEU 79 8.798 5.277 -18.596 622 HD22 LEU 79 1HD2 LEU 79 7.102 5.399 -19.064 623 HD23 LEU 79 2HD2 LEU 79 7.690 3.945 -18.255 624 H ASP 80 HN ASP 80 7.131 7.683 -14.200 625 HA ASP 80 HA ASP 80 5.594 10.087 -14.973 626 HB2 ASP 80 2HB ASP 80 5.023 9.392 -12.646 627 HB3 ASP 80 1HB ASP 80 6.723 9.458 -12.202 628 H THR 81 HN THR 81 6.773 11.955 -15.192 629 HA THR 81 HA THR 81 9.691 11.945 -14.794 630 HB THR 81 HB THR 81 9.469 11.415 -17.137 631 HG1 THR 81 HG1 THR 81 10.714 13.552 -16.317 632 HG21 THR 81 3HG2 THR 81 7.594 13.788 -17.410 633 HG22 THR 81 1HG2 THR 81 7.157 12.090 -17.566 634 HG23 THR 81 2HG2 THR 81 8.235 12.833 -18.751 635 H SER 82 HN SER 82 6.816 13.325 -14.052 636 HA SER 82 HA SER 82 7.422 16.129 -14.166 637 HB2 SER 82 2HB SER 82 5.082 15.239 -14.128 638 HB3 SER 82 1HB SER 82 5.334 14.686 -12.474 639 HG SER 82 HG SER 82 6.013 17.246 -12.550 640 H HIS 83 HN HIS 83 8.240 13.568 -12.015 641 HA HIS 83 HA HIS 83 9.122 15.283 -9.819 642 HB2 HIS 83 2HB HIS 83 9.133 12.272 -10.282 643 HB3 HIS 83 1HB HIS 83 9.952 13.000 -8.902 644 HD1 HIS 83 HD1 HIS 83 6.710 11.693 -9.885 645 HD2 HIS 83 HD2 HIS 83 8.104 14.552 -7.218 646 HE1 HIS 83 HE1 HIS 83 4.825 12.081 -8.269 647 HE2 HIS 83 HE2 HIS 83 5.721 13.754 -6.625 648 H GLY 84 HN GLY 84 10.328 14.873 -12.789 649 HA2 GLY 84 2HA GLY 84 12.337 15.563 -13.661 650 HA3 GLY 84 1HA GLY 84 12.949 15.778 -12.032 651 H MET 85 HN MET 85 11.748 12.669 -12.321 652 HA MET 85 HA MET 85 14.173 11.456 -13.435 653 HB2 MET 85 2HB MET 85 13.114 10.938 -10.615 654 HB3 MET 85 1HB MET 85 14.161 9.800 -11.454 655 HG2 MET 85 2HG MET 85 14.895 12.647 -10.719 656 HG3 MET 85 1HG MET 85 15.445 11.177 -9.903 657 HE1 MET 85 3HE MET 85 18.048 11.990 -10.249 658 HE2 MET 85 1HE MET 85 17.446 13.446 -11.040 659 HE3 MET 85 2HE MET 85 18.683 12.464 -11.827 660 H ILE 86 HN ILE 86 13.766 9.534 -14.476 661 HA ILE 86 HA ILE 86 11.014 8.846 -15.061 662 HB ILE 86 HB ILE 86 13.588 7.449 -15.930 663 HG12 ILE 86 2HG1 ILE 86 13.575 9.770 -16.709 664 HG13 ILE 86 1HG1 ILE 86 13.328 8.692 -18.072 665 HG21 ILE 86 1HG2 ILE 86 12.238 6.456 -17.762 666 HG22 ILE 86 2HG2 ILE 86 10.783 7.178 -17.072 667 HG23 ILE 86 3HG2 ILE 86 11.665 5.943 -16.172 668 HD11 ILE 86 3HD1 ILE 86 11.186 10.291 -16.682 669 HD12 ILE 86 1HD1 ILE 86 10.956 9.233 -18.076 670 HD13 ILE 86 2HD1 ILE 86 11.953 10.679 -18.220 671 H ARG 87 HN ARG 87 9.876 7.684 -13.659 672 HA ARG 87 HA ARG 87 10.767 5.207 -12.494 673 HB2 ARG 87 2HB ARG 87 10.604 5.861 -10.130 674 HB3 ARG 87 1HB ARG 87 11.828 6.843 -10.925 675 HG2 ARG 87 2HG ARG 87 10.225 8.721 -11.092 676 HG3 ARG 87 1HG ARG 87 8.996 7.737 -10.293 677 HD2 ARG 87 2HD ARG 87 10.667 7.554 -8.332 678 HD3 ARG 87 1HD ARG 87 11.549 8.870 -9.121 679 HE ARG 87 HE ARG 87 8.753 9.433 -8.788 680 HH11 ARG 87 1HH1 ARG 87 11.848 9.631 -7.143 681 HH12 ARG 87 2HH1 ARG 87 11.264 10.736 -5.945 682 HH21 ARG 87 1HH2 ARG 87 7.998 10.832 -7.219 683 HH22 ARG 87 2HH2 ARG 87 9.070 11.427 -5.985 684 H THR 88 HN THR 88 9.002 4.213 -11.208 685 HA THR 88 HA THR 88 6.406 4.962 -12.390 686 HB THR 88 HB THR 88 5.895 2.463 -11.640 687 HG1 THR 88 HG1 THR 88 8.139 2.441 -10.639 688 HG21 THR 88 3HG2 THR 88 6.688 1.609 -13.824 689 HG22 THR 88 1HG2 THR 88 7.680 3.050 -14.038 690 HG23 THR 88 2HG2 THR 88 5.921 3.190 -13.998 691 H GLU 89 HN GLU 89 4.919 5.683 -11.079 692 HA GLU 89 HA GLU 89 5.198 5.677 -8.158 693 HB2 GLU 89 2HB GLU 89 3.367 7.410 -9.893 694 HB3 GLU 89 1HB GLU 89 3.840 7.688 -8.221 695 HG2 GLU 89 2HG GLU 89 5.761 7.814 -10.569 696 HG3 GLU 89 1HG GLU 89 4.908 9.216 -9.924 697 H VAL 90 HN VAL 90 3.692 4.409 -7.019 698 HA VAL 90 HA VAL 90 1.423 3.368 -8.595 699 HB VAL 90 HB VAL 90 0.945 1.871 -6.602 700 HG11 VAL 90 1HG1 VAL 90 2.711 0.249 -7.281 701 HG12 VAL 90 2HG1 VAL 90 3.572 1.553 -8.103 702 HG13 VAL 90 3HG1 VAL 90 1.972 1.062 -8.664 703 HG21 VAL 90 3HG2 VAL 90 3.739 2.720 -5.726 704 HG22 VAL 90 1HG2 VAL 90 2.791 1.398 -5.032 705 HG23 VAL 90 2HG2 VAL 90 2.237 3.066 -4.864 706 H ARG 91 HN ARG 91 -0.474 4.079 -8.407 707 HA ARG 91 HA ARG 91 -0.892 6.507 -6.792 708 HB2 ARG 91 2HB ARG 91 -2.363 7.179 -8.813 709 HB3 ARG 91 1HB ARG 91 -0.625 7.168 -9.076 710 HG2 ARG 91 2HG ARG 91 -0.755 5.051 -10.263 711 HG3 ARG 91 1HG ARG 91 -2.472 4.900 -9.884 712 HD2 ARG 91 2HD ARG 91 -3.007 6.798 -11.302 713 HD3 ARG 91 1HD ARG 91 -1.289 7.123 -11.587 714 HE ARG 91 HE ARG 91 -1.697 4.515 -12.402 715 HH11 ARG 91 1HH1 ARG 91 -2.967 7.645 -13.413 716 HH12 ARG 91 2HH1 ARG 91 -3.300 7.102 -15.024 717 HH21 ARG 91 1HH2 ARG 91 -2.166 3.828 -14.475 718 HH22 ARG 91 2HH2 ARG 91 -2.842 4.932 -15.635 719 H SER 92 HN SER 92 -2.480 6.316 -5.331 720 HA SER 92 HA SER 92 -4.237 4.086 -5.190 721 HB2 SER 92 2HB SER 92 -3.434 5.351 -3.201 722 HB3 SER 92 1HB SER 92 -4.360 6.759 -3.713 723 HG SER 92 HG SER 92 -5.159 4.762 -2.218 724 H ARG 93 HN ARG 93 -6.325 3.900 -5.822 725 HA ARG 93 HA ARG 93 -7.499 5.400 -7.818 726 HB2 ARG 93 2HB ARG 93 -9.676 4.294 -7.174 727 HB3 ARG 93 1HB ARG 93 -8.326 3.197 -7.414 728 HG2 ARG 93 2HG ARG 93 -8.103 2.768 -5.076 729 HG3 ARG 93 1HG ARG 93 -9.137 4.133 -4.644 730 HD2 ARG 93 2HD ARG 93 -10.233 1.874 -4.403 731 HD3 ARG 93 1HD ARG 93 -11.105 3.000 -5.449 732 HE ARG 93 HE ARG 93 -9.363 1.364 -6.986 733 HH11 ARG 93 1HH1 ARG 93 -12.399 1.105 -5.235 734 HH12 ARG 93 2HH1 ARG 93 -13.046 -0.084 -6.316 735 HH21 ARG 93 1HH2 ARG 93 -10.230 -0.174 -8.391 736 HH22 ARG 93 2HH2 ARG 93 -11.818 -0.812 -8.099 737 H THR 94 HN THR 94 -7.791 5.863 -4.320 738 HA THR 94 HA THR 94 -9.845 7.604 -4.093 739 HB THR 94 HB THR 94 -7.215 7.710 -2.566 740 HG1 THR 94 HG1 THR 94 -9.581 6.147 -2.248 741 HG21 THR 94 3HG2 THR 94 -9.977 8.652 -1.699 742 HG22 THR 94 1HG2 THR 94 -8.628 9.705 -2.119 743 HG23 THR 94 2HG2 THR 94 -8.518 8.650 -0.707 744 H ALA 95 HN ALA 95 -6.522 9.142 -3.922 745 HA ALA 95 HA ALA 95 -7.560 11.172 -5.861 746 HB1 ALA 95 3HB ALA 95 -7.600 12.044 -3.559 747 HB2 ALA 95 1HB ALA 95 -6.509 12.964 -4.598 748 HB3 ALA 95 2HB ALA 95 -5.856 11.809 -3.434 749 H ASP 96 HN ASP 96 -4.270 10.563 -4.385 750 HA ASP 96 HA ASP 96 -3.191 11.330 -7.046 751 HB2 ASP 96 2HB ASP 96 -2.022 11.916 -4.298 752 HB3 ASP 96 1HB ASP 96 -1.227 12.299 -5.821 753 H SER 97 HN SER 97 -1.732 9.844 -4.139 754 HA SER 97 HA SER 97 -0.538 7.706 -5.728 755 HB2 SER 97 2HB SER 97 1.797 8.448 -5.117 756 HB3 SER 97 1HB SER 97 0.976 9.564 -6.213 757 HG SER 97 HG SER 97 2.094 10.512 -4.333 758 H HIS 98 HN HIS 98 -2.225 8.173 -3.239 759 HA HIS 98 HA HIS 98 -1.001 8.275 -0.833 760 HB2 HIS 98 2HB HIS 98 -3.533 6.808 -1.578 761 HB3 HIS 98 1HB HIS 98 -2.979 6.807 0.085 762 HD1 HIS 98 HD1 HIS 98 -2.869 9.167 1.269 763 HD2 HIS 98 HD2 HIS 98 -4.951 9.056 -2.322 764 HE1 HIS 98 HE1 HIS 98 -4.291 11.238 1.265 765 HE2 HIS 98 HE2 HIS 98 -5.450 11.218 -0.968 766 H LEU 99 HN LEU 99 -1.252 5.301 -2.694 767 HA LEU 99 HA LEU 99 -0.249 3.369 -0.984 768 HB2 LEU 99 2HB LEU 99 0.659 3.547 -3.875 769 HB3 LEU 99 1HB LEU 99 0.329 2.105 -2.930 770 HG LEU 99 HG LEU 99 -1.749 4.047 -4.013 771 HD11 LEU 99 1HD1 LEU 99 -1.130 1.226 -4.928 772 HD12 LEU 99 2HD1 LEU 99 -0.746 2.718 -5.794 773 HD13 LEU 99 3HD1 LEU 99 -2.426 2.269 -5.529 774 HD21 LEU 99 3HD2 LEU 99 -3.432 2.497 -3.247 775 HD22 LEU 99 1HD2 LEU 99 -2.457 3.057 -1.896 776 HD23 LEU 99 2HD2 LEU 99 -2.200 1.446 -2.556 777 H GLY 100 HN GLY 100 1.863 4.964 -3.461 778 HA2 GLY 100 2HA GLY 100 4.006 5.838 -2.003 779 HA3 GLY 100 1HA GLY 100 4.245 4.094 -2.045 780 H HIS 101 HN HIS 101 6.198 4.570 -3.158 781 HA HIS 101 HA HIS 101 5.961 5.137 -6.069 782 HB2 HIS 101 2HB HIS 101 8.447 5.483 -4.307 783 HB3 HIS 101 1HB HIS 101 8.286 5.950 -5.997 784 HD1 HIS 101 HD1 HIS 101 7.577 8.296 -6.429 785 HD2 HIS 101 HD2 HIS 101 6.822 7.149 -2.512 786 HE1 HIS 101 HE1 HIS 101 6.846 10.374 -5.242 787 HE2 HIS 101 HE2 HIS 101 6.595 9.700 -2.845 788 H VAL 102 HN VAL 102 7.297 3.718 -7.443 789 HA VAL 102 HA VAL 102 8.376 1.308 -6.110 790 HB VAL 102 HB VAL 102 7.358 -0.273 -7.634 791 HG11 VAL 102 1HG1 VAL 102 5.145 1.517 -6.594 792 HG12 VAL 102 2HG1 VAL 102 6.053 0.362 -5.628 793 HG13 VAL 102 3HG1 VAL 102 5.035 -0.212 -6.946 794 HG21 VAL 102 3HG2 VAL 102 7.214 1.053 -9.679 795 HG22 VAL 102 1HG2 VAL 102 5.941 2.049 -8.973 796 HG23 VAL 102 2HG2 VAL 102 5.643 0.340 -9.310 797 H PHE 103 HN PHE 103 10.082 0.331 -7.162 798 HA PHE 103 HA PHE 103 11.158 1.724 -9.542 799 HB2 PHE 103 2HB PHE 103 12.778 0.725 -7.157 800 HB3 PHE 103 1HB PHE 103 13.417 1.580 -8.561 801 HD1 PHE 103 HD1 PHE 103 12.506 3.986 -9.000 802 HD2 PHE 103 HD2 PHE 103 12.074 1.972 -5.250 803 HE1 PHE 103 HE1 PHE 103 12.076 6.138 -7.889 804 HE2 PHE 103 HE2 PHE 103 11.657 4.128 -4.149 805 HZ PHE 103 HZ PHE 103 11.647 6.212 -5.463 806 H ASN 104 HN ASN 104 11.889 0.477 -11.135 807 HA ASN 104 HA ASN 104 11.571 -2.424 -10.984 808 HB2 ASN 104 2HB ASN 104 12.093 -2.226 -13.524 809 HB3 ASN 104 1HB ASN 104 10.573 -1.579 -12.933 810 HD21 ASN 104 1HD2 ASN 104 10.219 -0.095 -14.497 811 HD22 ASN 104 2HD2 ASN 104 11.230 1.268 -14.793 812 H ASP 105 HN ASP 105 13.764 -1.134 -9.569 813 HA ASP 105 HA ASP 105 16.134 -2.448 -10.732 814 HB2 ASP 105 2HB ASP 105 15.880 -0.707 -8.225 815 HB3 ASP 105 1HB ASP 105 17.382 -1.297 -8.930 816 H GLY 106 HN GLY 106 13.578 -3.565 -9.392 817 HA2 GLY 106 2HA GLY 106 14.881 -5.418 -7.473 818 HA3 GLY 106 1HA GLY 106 13.246 -4.810 -7.256 819 HA PRO 107 HA PRO 107 13.418 -8.178 -10.883 820 HB2 PRO 107 2HB PRO 107 14.771 -10.437 -10.045 821 HB3 PRO 107 1HB PRO 107 15.537 -9.139 -10.969 822 HG2 PRO 107 2HG PRO 107 15.574 -9.604 -7.987 823 HG3 PRO 107 1HG PRO 107 16.925 -9.179 -9.059 824 HD2 PRO 107 2HD PRO 107 15.685 -7.310 -7.537 825 HD3 PRO 107 1HD PRO 107 16.306 -6.921 -9.158 826 H GLY 108 HN GLY 108 11.516 -9.358 -10.885 827 HA2 GLY 108 2HA GLY 108 10.581 -10.983 -8.770 828 HA3 GLY 108 1HA GLY 108 9.912 -9.366 -8.600 829 HA PRO 109 HA PRO 109 7.227 -12.129 -11.408 830 HB2 PRO 109 2HB PRO 109 5.097 -11.347 -9.439 831 HB3 PRO 109 1HB PRO 109 5.491 -12.939 -10.101 832 HG2 PRO 109 2HG PRO 109 6.105 -12.341 -7.572 833 HG3 PRO 109 1HG PRO 109 7.212 -13.311 -8.566 834 HD2 PRO 109 2HD PRO 109 7.378 -10.361 -7.890 835 HD3 PRO 109 1HD PRO 109 8.661 -11.599 -7.865 836 H ASN 110 HN ASN 110 6.741 -8.988 -9.895 837 HA ASN 110 HA ASN 110 4.849 -8.070 -11.934 838 HB2 ASN 110 2HB ASN 110 4.682 -7.561 -9.401 839 HB3 ASN 110 1HB ASN 110 6.031 -6.453 -9.625 840 HD21 ASN 110 1HD2 ASN 110 5.684 -4.613 -11.026 841 HD22 ASN 110 2HD2 ASN 110 4.093 -3.994 -11.272 842 H GLY 111 HN GLY 111 8.233 -7.934 -11.182 843 HA2 GLY 111 2HA GLY 111 10.026 -7.132 -12.431 844 HA3 GLY 111 1HA GLY 111 8.913 -6.289 -13.497 845 H LEU 112 HN LEU 112 7.919 -5.508 -10.509 846 HA LEU 112 HA LEU 112 9.492 -3.003 -10.328 847 HB2 LEU 112 2HB LEU 112 6.519 -3.464 -9.802 848 HB3 LEU 112 1HB LEU 112 7.367 -1.986 -9.364 849 HG LEU 112 HG LEU 112 7.024 -3.014 -12.223 850 HD11 LEU 112 1HD1 LEU 112 5.604 -0.709 -10.866 851 HD12 LEU 112 2HD1 LEU 112 4.884 -2.257 -11.311 852 HD13 LEU 112 3HD1 LEU 112 5.467 -1.167 -12.567 853 HD21 LEU 112 3HD2 LEU 112 7.938 -0.844 -12.925 854 HD22 LEU 112 1HD2 LEU 112 9.093 -1.732 -11.934 855 HD23 LEU 112 2HD2 LEU 112 8.185 -0.388 -11.236 856 H ARG 113 HN ARG 113 9.404 -2.116 -8.040 857 HA ARG 113 HA ARG 113 9.108 -4.196 -5.949 858 HB2 ARG 113 2HB ARG 113 11.543 -3.964 -6.630 859 HB3 ARG 113 1HB ARG 113 11.482 -2.279 -6.129 860 HG2 ARG 113 2HG ARG 113 10.892 -3.064 -3.795 861 HG3 ARG 113 1HG ARG 113 11.149 -4.723 -4.348 862 HD2 ARG 113 2HD ARG 113 13.160 -4.002 -3.248 863 HD3 ARG 113 1HD ARG 113 13.505 -4.059 -4.980 864 HE ARG 113 HE ARG 113 12.835 -1.543 -3.563 865 HH11 ARG 113 1HH1 ARG 113 14.948 -3.272 -5.778 866 HH12 ARG 113 2HH1 ARG 113 15.932 -1.882 -6.098 867 HH21 ARG 113 1HH2 ARG 113 14.127 0.241 -3.968 868 HH22 ARG 113 2HH2 ARG 113 15.470 0.114 -5.057 869 H TYR 114 HN TYR 114 7.513 -3.386 -4.691 870 HA TYR 114 HA TYR 114 6.856 -0.602 -4.790 871 HB2 TYR 114 2HB TYR 114 4.909 -1.110 -3.400 872 HB3 TYR 114 1HB TYR 114 5.040 -2.251 -4.723 873 HD1 TYR 114 HD2 TYR 114 5.503 -1.877 -1.033 874 HD2 TYR 114 HD1 TYR 114 5.169 -4.632 -4.286 875 HE1 TYR 114 HE2 TYR 114 5.246 -3.721 0.560 876 HE2 TYR 114 HE1 TYR 114 4.901 -6.473 -2.688 877 HH TYR 114 HH TYR 114 4.303 -5.980 0.608 878 H CYS 115 HN CYS 115 7.335 0.989 -3.440 879 HA CYS 115 HA CYS 115 8.184 0.351 -0.670 880 HB2 CYS 115 2HB CYS 115 8.886 2.855 -2.293 881 HB3 CYS 115 1HB CYS 115 9.482 2.435 -0.682 882 HG CYS 115 HG CYS 115 10.152 0.564 -3.463 883 H ILE 116 HN ILE 116 6.184 0.375 0.210 884 HA ILE 116 HA ILE 116 4.314 2.606 -0.325 885 HB ILE 116 HB ILE 116 3.753 -0.070 1.021 886 HG12 ILE 116 2HG1 ILE 116 4.312 -0.461 -1.340 887 HG13 ILE 116 1HG1 ILE 116 2.604 -0.761 -1.062 888 HG21 ILE 116 1HG2 ILE 116 2.187 1.691 1.729 889 HG22 ILE 116 2HG2 ILE 116 1.359 0.484 0.743 890 HG23 ILE 116 3HG2 ILE 116 1.801 2.044 0.042 891 HD11 ILE 116 3HD1 ILE 116 2.982 0.354 -3.163 892 HD12 ILE 116 1HD1 ILE 116 3.796 1.688 -2.346 893 HD13 ILE 116 2HD1 ILE 116 2.074 1.398 -2.072 894 H ASN 117 HN ASN 117 3.566 3.850 1.465 895 HA ASN 117 HA ASN 117 5.654 4.100 3.439 896 HB2 ASN 117 2HB ASN 117 4.751 6.270 3.879 897 HB3 ASN 117 1HB ASN 117 4.773 6.043 2.139 898 HD21 ASN 117 1HD2 ASN 117 2.706 5.582 1.086 899 HD22 ASN 117 2HD2 ASN 117 1.252 6.175 1.795 900 H SER 118 HN SER 118 5.357 4.221 5.694 901 HA SER 118 HA SER 118 3.831 2.118 6.784 902 HB2 SER 118 2HB SER 118 4.735 3.019 8.991 903 HB3 SER 118 1HB SER 118 5.960 2.697 7.764 904 HG SER 118 HG SER 118 6.207 4.740 8.846 905 H ALA 119 HN ALA 119 3.235 5.575 6.608 906 HA ALA 119 HA ALA 119 1.150 5.755 8.550 907 HB1 ALA 119 3HB ALA 119 2.482 7.710 7.884 908 HB2 ALA 119 1HB ALA 119 0.761 8.004 7.625 909 HB3 ALA 119 2HB ALA 119 1.809 7.630 6.253 910 H ALA 120 HN ALA 120 1.232 4.877 5.173 911 HA ALA 120 HA ALA 120 -1.507 5.259 4.528 912 HB1 ALA 120 3HB ALA 120 0.470 3.383 3.207 913 HB2 ALA 120 1HB ALA 120 0.222 5.081 2.793 914 HB3 ALA 120 2HB ALA 120 -1.074 3.911 2.525 915 H LEU 121 HN LEU 121 0.009 2.766 6.349 916 HA LEU 121 HA LEU 121 -1.558 0.655 5.126 917 HB2 LEU 121 2HB LEU 121 0.753 0.556 7.077 918 HB3 LEU 121 1HB LEU 121 0.037 -0.836 6.259 919 HG LEU 121 HG LEU 121 1.422 1.491 4.888 920 HD11 LEU 121 1HD1 LEU 121 2.365 -1.339 5.303 921 HD12 LEU 121 2HD1 LEU 121 3.005 0.115 6.076 922 HD13 LEU 121 3HD1 LEU 121 3.178 -0.099 4.335 923 HD21 LEU 121 3HD2 LEU 121 0.172 -1.011 3.718 924 HD22 LEU 121 1HD2 LEU 121 1.223 0.099 2.835 925 HD23 LEU 121 2HD2 LEU 121 -0.318 0.667 3.458 926 H ARG 122 HN ARG 122 -2.747 -0.800 6.083 927 HA ARG 122 HA ARG 122 -2.958 -0.974 8.999 928 HB2 ARG 122 2HB ARG 122 -4.881 0.418 8.317 929 HB3 ARG 122 1HB ARG 122 -5.385 -0.803 7.158 930 HG2 ARG 122 2HG ARG 122 -5.917 -2.360 8.967 931 HG3 ARG 122 1HG ARG 122 -5.275 -1.229 10.163 932 HD2 ARG 122 2HD ARG 122 -7.682 -0.713 8.373 933 HD3 ARG 122 1HD ARG 122 -7.753 -1.183 10.077 934 HE ARG 122 HE ARG 122 -6.180 1.064 10.028 935 HH11 ARG 122 1HH1 ARG 122 -9.471 0.410 8.979 936 HH12 ARG 122 2HH1 ARG 122 -10.011 2.023 9.320 937 HH21 ARG 122 1HH2 ARG 122 -6.883 3.141 10.439 938 HH22 ARG 122 2HH2 ARG 122 -8.544 3.570 10.169 939 H PHE 123 HN PHE 123 -2.465 -3.029 9.467 940 HA PHE 123 HA PHE 123 -3.098 -5.234 7.714 941 HB2 PHE 123 2HB PHE 123 -2.439 -6.700 9.654 942 HB3 PHE 123 1HB PHE 123 -1.187 -5.568 9.180 943 HD1 PHE 123 HD2 PHE 123 -3.660 -6.398 11.841 944 HD2 PHE 123 HD1 PHE 123 -0.404 -3.833 10.736 945 HE1 PHE 123 HE2 PHE 123 -3.474 -5.619 14.168 946 HE2 PHE 123 HE1 PHE 123 -0.235 -3.074 13.072 947 HZ PHE 123 HZ PHE 123 -1.769 -3.963 14.778 948 H VAL 124 HN VAL 124 -5.109 -6.045 7.528 949 HA VAL 124 HA VAL 124 -7.131 -5.511 9.639 950 HB VAL 124 HB VAL 124 -7.841 -5.940 6.703 951 HG11 VAL 124 1HG1 VAL 124 -9.652 -6.297 8.357 952 HG12 VAL 124 2HG1 VAL 124 -9.993 -4.881 7.358 953 HG13 VAL 124 3HG1 VAL 124 -9.396 -4.674 9.007 954 HG21 VAL 124 3HG2 VAL 124 -6.395 -3.939 6.763 955 HG22 VAL 124 1HG2 VAL 124 -7.408 -3.236 8.025 956 HG23 VAL 124 2HG2 VAL 124 -8.068 -3.498 6.411 957 HA PRO 125 HA PRO 125 -6.451 -10.048 9.679 958 HB2 PRO 125 2HB PRO 125 -8.142 -10.511 11.874 959 HB3 PRO 125 1HB PRO 125 -6.413 -10.164 11.966 960 HG2 PRO 125 2HG PRO 125 -8.736 -8.289 12.288 961 HG3 PRO 125 1HG PRO 125 -7.219 -8.348 13.203 962 HD2 PRO 125 2HD PRO 125 -7.618 -6.485 11.301 963 HD3 PRO 125 1HD PRO 125 -6.014 -7.226 11.525 964 H LYS 126 HN LYS 126 -7.680 -11.873 9.088 965 HA LYS 126 HA LYS 126 -9.689 -11.408 7.240 966 HB2 LYS 126 2HB LYS 126 -8.143 -13.373 7.252 967 HB3 LYS 126 1HB LYS 126 -9.104 -14.078 8.548 968 HG2 LYS 126 2HG LYS 126 -11.077 -14.102 7.018 969 HG3 LYS 126 1HG LYS 126 -10.049 -13.475 5.725 970 HD2 LYS 126 2HD LYS 126 -8.590 -15.510 5.973 971 HD3 LYS 126 1HD LYS 126 -9.749 -16.155 7.144 972 HE2 LYS 126 2HE LYS 126 -11.489 -16.209 5.428 973 HE3 LYS 126 1HE LYS 126 -10.417 -15.416 4.274 974 HZ1 LYS 126 3HZ LYS 126 -10.503 -17.746 3.848 975 HZ2 LYS 126 1HZ LYS 126 -10.060 -18.115 5.435 976 HZ3 LYS 126 2HZ LYS 126 -8.956 -17.358 4.402 977 H HIS 127 HN HIS 127 -10.057 -11.925 10.639 978 HA HIS 127 HA HIS 127 -12.844 -12.608 10.675 979 HB2 HIS 127 2HB HIS 127 -10.906 -11.555 12.760 980 HB3 HIS 127 1HB HIS 127 -12.630 -11.582 13.111 981 HD1 HIS 127 HD1 HIS 127 -9.856 -14.005 12.153 982 HD2 HIS 127 HD2 HIS 127 -13.554 -13.967 14.030 983 HE1 HIS 127 HE1 HIS 127 -10.182 -16.324 13.045 984 HE2 HIS 127 HE2 HIS 127 -12.311 -16.212 14.363 985 H LYS 128 HN LYS 128 -11.002 -9.615 10.564 986 HA LYS 128 HA LYS 128 -13.299 -7.899 11.059 987 HB2 LYS 128 2HB LYS 128 -10.395 -7.249 10.407 988 HB3 LYS 128 1HB LYS 128 -11.635 -6.025 10.659 989 HG2 LYS 128 2HG LYS 128 -10.627 -8.018 12.706 990 HG3 LYS 128 1HG LYS 128 -10.296 -6.285 12.658 991 HD2 LYS 128 2HD LYS 128 -12.822 -5.920 12.923 992 HD3 LYS 128 1HD LYS 128 -12.952 -7.652 13.248 993 HE2 LYS 128 2HE LYS 128 -12.874 -6.524 15.364 994 HE3 LYS 128 1HE LYS 128 -11.317 -7.323 15.154 995 HZ1 LYS 128 3HZ LYS 128 -10.435 -5.162 14.375 996 HZ2 LYS 128 1HZ LYS 128 -10.967 -5.127 15.978 997 HZ3 LYS 128 2HZ LYS 128 -11.911 -4.442 14.758 998 H LEU 129 HN LEU 129 -11.477 -9.179 8.330 999 HA LEU 129 HA LEU 129 -12.137 -7.319 6.355 1000 HB2 LEU 129 2HB LEU 129 -11.590 -10.295 6.184 1001 HB3 LEU 129 1HB LEU 129 -11.733 -9.254 4.777 1002 HG LEU 129 HG LEU 129 -9.590 -9.017 6.918 1003 HD11 LEU 129 1HD1 LEU 129 -9.316 -11.030 5.551 1004 HD12 LEU 129 2HD1 LEU 129 -8.054 -9.849 5.188 1005 HD13 LEU 129 3HD1 LEU 129 -9.414 -10.067 4.070 1006 HD21 LEU 129 3HD2 LEU 129 -9.941 -7.494 4.321 1007 HD22 LEU 129 1HD2 LEU 129 -8.555 -7.373 5.411 1008 HD23 LEU 129 2HD2 LEU 129 -10.148 -6.844 5.952 1009 H LYS 130 HN LYS 130 -13.922 -10.152 7.536 1010 HA LYS 130 HA LYS 130 -15.966 -10.127 5.549 1011 HB2 LYS 130 2HB LYS 130 -16.175 -11.247 8.369 1012 HB3 LYS 130 1HB LYS 130 -17.181 -11.678 6.983 1013 HG2 LYS 130 2HG LYS 130 -15.040 -12.506 5.856 1014 HG3 LYS 130 1HG LYS 130 -14.252 -12.303 7.426 1015 HD2 LYS 130 2HD LYS 130 -16.148 -13.838 8.347 1016 HD3 LYS 130 1HD LYS 130 -16.465 -14.237 6.657 1017 HE2 LYS 130 2HE LYS 130 -15.028 -15.930 7.607 1018 HE3 LYS 130 1HE LYS 130 -14.069 -14.988 6.459 1019 HZ1 LYS 130 3HZ LYS 130 -12.908 -15.416 8.550 1020 HZ2 LYS 130 1HZ LYS 130 -14.106 -14.584 9.402 1021 HZ3 LYS 130 2HZ LYS 130 -13.129 -13.759 8.296 1022 H GLU 131 HN GLU 131 -15.561 -8.498 8.627 1023 HA GLU 131 HA GLU 131 -18.118 -7.256 8.719 1024 HB2 GLU 131 2HB GLU 131 -16.650 -7.424 10.707 1025 HB3 GLU 131 1HB GLU 131 -15.485 -6.346 9.944 1026 HG2 GLU 131 2HG GLU 131 -16.778 -5.118 11.596 1027 HG3 GLU 131 1HG GLU 131 -17.162 -4.519 9.986 1028 H GLU 132 HN GLU 132 -14.984 -6.383 7.220 1029 HA GLU 132 HA GLU 132 -15.806 -3.847 6.211 1030 HB2 GLU 132 2HB GLU 132 -13.554 -5.696 5.316 1031 HB3 GLU 132 1HB GLU 132 -13.725 -4.011 4.840 1032 HG2 GLU 132 2HG GLU 132 -13.160 -5.059 7.626 1033 HG3 GLU 132 1HG GLU 132 -12.026 -4.234 6.559 1034 H GLY 133 HN GLY 133 -16.778 -6.996 5.294 1035 HA2 GLY 133 2HA GLY 133 -18.648 -7.077 3.800 1036 HA3 GLY 133 1HA GLY 133 -17.815 -5.966 2.723 1037 H TYR 134 HN TYR 134 -15.403 -7.873 3.692 1038 HA TYR 134 HA TYR 134 -14.069 -9.435 2.832 1039 HB2 TYR 134 2HB TYR 134 -14.862 -11.729 2.806 1040 HB3 TYR 134 1HB TYR 134 -15.489 -10.853 4.182 1041 HD1 TYR 134 HD1 TYR 134 -16.389 -12.408 0.922 1042 HD2 TYR 134 HD2 TYR 134 -17.906 -10.607 4.498 1043 HE1 TYR 134 HE1 TYR 134 -18.642 -13.210 0.373 1044 HE2 TYR 134 HE2 TYR 134 -20.164 -11.408 3.942 1045 HH TYR 134 HH TYR 134 -21.438 -12.072 1.947 1046 H GLU 135 HN GLU 135 -16.330 -8.465 0.581 1047 HA GLU 135 HA GLU 135 -16.462 -10.295 -1.419 1048 HB2 GLU 135 2HB GLU 135 -17.814 -8.188 -1.126 1049 HB3 GLU 135 1HB GLU 135 -16.490 -7.263 -1.809 1050 HG2 GLU 135 2HG GLU 135 -17.816 -9.493 -3.367 1051 HG3 GLU 135 1HG GLU 135 -18.541 -7.894 -3.296 1052 H SER 136 HN SER 136 -14.284 -7.400 -1.745 1053 HA SER 136 HA SER 136 -12.606 -8.767 -3.648 1054 HB2 SER 136 2HB SER 136 -13.116 -6.373 -3.943 1055 HB3 SER 136 1HB SER 136 -12.443 -5.996 -2.358 1056 HG SER 136 HG SER 136 -10.669 -7.353 -3.932 1057 H TYR 137 HN TYR 137 -12.742 -8.446 -0.215 1058 HA TYR 137 HA TYR 137 -9.963 -8.040 0.321 1059 HB2 TYR 137 2HB TYR 137 -12.303 -8.868 2.088 1060 HB3 TYR 137 1HB TYR 137 -10.670 -8.636 2.706 1061 HD1 TYR 137 HD1 TYR 137 -9.574 -6.332 2.451 1062 HD2 TYR 137 HD2 TYR 137 -13.755 -6.959 1.798 1063 HE1 TYR 137 HE1 TYR 137 -9.978 -3.935 2.754 1064 HE2 TYR 137 HE2 TYR 137 -14.158 -4.553 2.110 1065 HH TYR 137 HH TYR 137 -13.136 -2.634 3.134 1066 H LEU 138 HN LEU 138 -12.098 -10.830 0.932 1067 HA LEU 138 HA LEU 138 -9.983 -12.614 1.564 1068 HB2 LEU 138 2HB LEU 138 -12.966 -12.922 1.193 1069 HB3 LEU 138 1HB LEU 138 -11.963 -14.354 1.358 1070 HG LEU 138 HG LEU 138 -11.230 -13.689 3.587 1071 HD11 LEU 138 1HD1 LEU 138 -11.043 -11.301 3.314 1072 HD12 LEU 138 2HD1 LEU 138 -12.061 -11.666 4.702 1073 HD13 LEU 138 3HD1 LEU 138 -12.797 -11.139 3.182 1074 HD21 LEU 138 3HD2 LEU 138 -13.330 -13.620 4.855 1075 HD22 LEU 138 1HD2 LEU 138 -13.363 -14.853 3.582 1076 HD23 LEU 138 2HD2 LEU 138 -14.224 -13.319 3.350 1077 H HIS 139 HN HIS 139 -11.449 -11.720 -1.420 1078 HA HIS 139 HA HIS 139 -10.676 -13.949 -3.023 1079 HB2 HIS 139 2HB HIS 139 -12.402 -12.296 -3.732 1080 HB3 HIS 139 1HB HIS 139 -11.167 -11.050 -3.852 1081 HD1 HIS 139 HD1 HIS 139 -12.575 -14.008 -5.634 1082 HD2 HIS 139 HD2 HIS 139 -9.485 -11.269 -6.151 1083 HE1 HIS 139 HE1 HIS 139 -11.827 -14.269 -8.018 1084 HE2 HIS 139 HE2 HIS 139 -10.005 -12.563 -8.329 1085 H LEU 140 HN LEU 140 -9.176 -10.683 -2.630 1086 HA LEU 140 HA LEU 140 -6.776 -11.279 -4.054 1087 HB2 LEU 140 2HB LEU 140 -7.344 -9.115 -1.992 1088 HB3 LEU 140 1HB LEU 140 -5.949 -9.147 -3.064 1089 HG LEU 140 HG LEU 140 -8.847 -8.870 -3.964 1090 HD11 LEU 140 1HD1 LEU 140 -8.076 -6.885 -2.801 1091 HD12 LEU 140 2HD1 LEU 140 -8.258 -6.556 -4.523 1092 HD13 LEU 140 3HD1 LEU 140 -6.646 -6.790 -3.835 1093 HD21 LEU 140 3HD2 LEU 140 -7.888 -8.377 -6.194 1094 HD22 LEU 140 1HD2 LEU 140 -7.538 -10.019 -5.658 1095 HD23 LEU 140 2HD2 LEU 140 -6.284 -8.781 -5.581 1096 H PHE 141 HN PHE 141 -7.704 -11.447 -0.702 1097 HA PHE 141 HA PHE 141 -5.297 -12.130 0.575 1098 HB2 PHE 141 2HB PHE 141 -7.333 -11.546 1.800 1099 HB3 PHE 141 1HB PHE 141 -8.184 -12.934 1.145 1100 HD1 PHE 141 HD1 PHE 141 -5.540 -11.875 3.521 1101 HD2 PHE 141 HD2 PHE 141 -7.970 -15.118 2.175 1102 HE1 PHE 141 HE1 PHE 141 -4.890 -13.202 5.468 1103 HE2 PHE 141 HE2 PHE 141 -7.299 -16.419 4.138 1104 HZ PHE 141 HZ PHE 141 -5.765 -15.462 5.788 1105 H ASN 142 HN ASN 142 -7.530 -13.995 -1.360 1106 HA ASN 142 HA ASN 142 -7.475 -15.950 -2.419 1107 HB2 ASN 142 2HB ASN 142 -5.004 -15.673 -2.769 1108 HB3 ASN 142 1HB ASN 142 -4.714 -16.496 -1.243 1109 HD21 ASN 142 1HD2 ASN 142 -5.538 -16.887 -4.570 1110 HD22 ASN 142 2HD2 ASN 142 -5.540 -18.611 -4.593 1111 H LYS 143 HN LYS 143 -8.803 -17.477 -1.812 1112 HA LYS 143 HA LYS 143 -9.041 -18.353 0.947 1113 HB2 LYS 143 2HB LYS 143 -11.053 -17.856 -0.445 1114 HB3 LYS 143 1HB LYS 143 -10.631 -19.182 -1.521 1115 HG2 LYS 143 2HG LYS 143 -10.912 -20.782 0.379 1116 HG3 LYS 143 1HG LYS 143 -11.374 -19.432 1.417 1117 HD2 LYS 143 2HD LYS 143 -13.358 -20.639 0.653 1118 HD3 LYS 143 1HD LYS 143 -13.348 -19.005 -0.012 1119 HE2 LYS 143 2HE LYS 143 -12.623 -19.851 -2.185 1120 HE3 LYS 143 1HE LYS 143 -12.431 -21.478 -1.531 1121 HZ1 LYS 143 3HZ LYS 143 -14.465 -21.300 -2.742 1122 HZ2 LYS 143 1HZ LYS 143 -14.977 -19.987 -1.812 1123 HZ3 LYS 143 2HZ LYS 143 -14.819 -21.517 -1.107 1124 H LEU 144 HN LEU 144 -8.128 -20.151 1.756 1125 HA LEU 144 HA LEU 144 -7.124 -22.279 -0.053 1126 HB2 LEU 144 2HB LEU 144 -6.224 -21.376 2.711 1127 HB3 LEU 144 1HB LEU 144 -5.851 -22.989 2.138 1128 HG LEU 144 HG LEU 144 -3.927 -21.576 1.800 1129 HD11 LEU 144 1HD1 LEU 144 -4.297 -23.272 0.102 1130 HD12 LEU 144 2HD1 LEU 144 -3.506 -21.856 -0.587 1131 HD13 LEU 144 3HD1 LEU 144 -5.229 -22.130 -0.872 1132 HD21 LEU 144 3HD2 LEU 144 -5.012 -19.392 1.759 1133 HD22 LEU 144 1HD2 LEU 144 -5.666 -19.724 0.154 1134 HD23 LEU 144 2HD2 LEU 144 -3.922 -19.587 0.392 1135 H GLU 145 HN GLU 145 -9.512 -22.634 -0.102 1136 HA GLU 145 HA GLU 145 -10.834 -23.988 2.050 1137 HB2 GLU 145 2HB GLU 145 -12.037 -22.707 0.295 1138 HB3 GLU 145 1HB GLU 145 -11.474 -23.834 -0.931 1139 HG2 GLU 145 2HG GLU 145 -12.803 -25.630 0.070 1140 HG3 GLU 145 1HG GLU 145 -13.296 -24.556 1.383 1141 H HIS 146 HN HIS 146 -10.905 -26.174 2.445 1142 HA HIS 146 HA HIS 146 -8.853 -27.884 1.518 1143 HB2 HIS 146 2HB HIS 146 -11.414 -28.599 3.014 1144 HB3 HIS 146 1HB HIS 146 -10.048 -29.683 2.796 1145 HD1 HIS 146 HD1 HIS 146 -11.458 -27.663 5.284 1146 HD2 HIS 146 HD2 HIS 146 -7.556 -28.270 3.994 1147 HE1 HIS 146 HE1 HIS 146 -10.002 -27.071 7.242 1148 HE2 HIS 146 HE2 HIS 146 -7.644 -27.357 6.406 1149 H HIS 147 HN HIS 147 -8.830 -28.317 -0.620 1150 HA HIS 147 HA HIS 147 -11.045 -29.880 -1.800 1151 HB2 HIS 147 2HB HIS 147 -11.174 -27.613 -2.766 1152 HB3 HIS 147 1HB HIS 147 -9.465 -27.655 -3.182 1153 HD1 HIS 147 HD1 HIS 147 -8.791 -28.952 -5.288 1154 HD2 HIS 147 HD2 HIS 147 -12.859 -29.152 -4.476 1155 HE1 HIS 147 HE1 HIS 147 -9.848 -29.853 -7.377 1156 HE2 HIS 147 HE2 HIS 147 -12.325 -29.796 -6.919 Start of MODEL 17 1 H1 MET 1 1H MET 1 -14.977 4.346 15.981 2 H2 MET 1 2H MET 1 -15.324 4.177 14.334 3 H3 MET 1 3H MET 1 -16.525 3.879 15.489 4 HA MET 1 HA MET 1 -16.539 6.161 16.166 5 HB2 MET 1 2HB MET 1 -14.465 6.515 13.961 6 HB3 MET 1 1HB MET 1 -15.252 7.840 14.810 7 HG2 MET 1 2HG MET 1 -14.224 7.107 16.918 8 HG3 MET 1 1HG MET 1 -13.453 5.761 16.074 9 HE1 MET 1 3HE MET 1 -12.433 10.209 15.252 10 HE2 MET 1 1HE MET 1 -13.696 9.684 16.364 11 HE3 MET 1 2HE MET 1 -13.897 9.456 14.625 12 H ALA 2 HN ALA 2 -18.559 6.565 15.517 13 HA ALA 2 HA ALA 2 -19.552 5.937 12.866 14 HB1 ALA 2 3HB ALA 2 -20.920 5.465 14.857 15 HB2 ALA 2 1HB ALA 2 -21.740 6.618 13.803 16 HB3 ALA 2 2HB ALA 2 -20.942 7.180 15.276 17 H TYR 3 HN TYR 3 -18.002 7.428 11.871 18 HA TYR 3 HA TYR 3 -19.155 10.101 11.415 19 HB2 TYR 3 2HB TYR 3 -16.240 9.493 12.091 20 HB3 TYR 3 1HB TYR 3 -16.709 10.961 11.234 21 HD1 TYR 3 HD2 TYR 3 -18.180 12.655 12.369 22 HD2 TYR 3 HD1 TYR 3 -16.547 9.326 14.511 23 HE1 TYR 3 HE2 TYR 3 -18.676 13.773 14.495 24 HE2 TYR 3 HE1 TYR 3 -17.051 10.456 16.637 25 HH TYR 3 HH TYR 3 -19.088 13.158 16.830 26 H ASN 4 HN ASN 4 -18.453 11.012 9.366 27 HA ASN 4 HA ASN 4 -18.535 9.228 7.180 28 HB2 ASN 4 2HB ASN 4 -19.221 11.698 7.218 29 HB3 ASN 4 1HB ASN 4 -17.515 12.110 7.150 30 HD21 ASN 4 1HD2 ASN 4 -19.823 12.578 5.282 31 HD22 ASN 4 2HD2 ASN 4 -19.278 12.003 3.747 32 H LYS 5 HN LYS 5 -16.863 8.507 5.756 33 HA LYS 5 HA LYS 5 -14.385 7.883 6.969 34 HB2 LYS 5 2HB LYS 5 -13.817 6.640 5.066 35 HB3 LYS 5 1HB LYS 5 -15.571 6.589 5.041 36 HG2 LYS 5 2HG LYS 5 -13.885 8.460 3.344 37 HG3 LYS 5 1HG LYS 5 -14.473 6.890 2.800 38 HD2 LYS 5 2HD LYS 5 -16.236 9.204 3.668 39 HD3 LYS 5 1HD LYS 5 -15.824 8.827 1.997 40 HE2 LYS 5 2HE LYS 5 -17.375 7.026 3.891 41 HE3 LYS 5 1HE LYS 5 -18.058 7.989 2.579 42 HZ1 LYS 5 3HZ LYS 5 -17.791 5.730 1.869 43 HZ2 LYS 5 1HZ LYS 5 -16.147 5.731 2.283 44 HZ3 LYS 5 2HZ LYS 5 -16.704 6.704 1.018 45 H GLU 6 HN GLU 6 -15.377 10.463 4.824 46 HA GLU 6 HA GLU 6 -12.894 11.628 4.183 47 HB2 GLU 6 2HB GLU 6 -15.277 12.185 3.273 48 HB3 GLU 6 1HB GLU 6 -15.447 13.236 4.669 49 HG2 GLU 6 2HG GLU 6 -13.326 13.496 2.507 50 HG3 GLU 6 1HG GLU 6 -14.812 14.430 2.568 51 H GLU 7 HN GLU 7 -15.093 12.132 6.951 52 HA GLU 7 HA GLU 7 -13.697 14.136 8.340 53 HB2 GLU 7 2HB GLU 7 -16.020 13.395 8.870 54 HB3 GLU 7 1HB GLU 7 -15.394 11.880 9.501 55 HG2 GLU 7 2HG GLU 7 -15.925 13.290 11.364 56 HG3 GLU 7 1HG GLU 7 -14.169 13.181 11.260 57 H LYS 8 HN LYS 8 -13.294 10.646 8.299 58 HA LYS 8 HA LYS 8 -11.327 10.425 10.373 59 HB2 LYS 8 2HB LYS 8 -12.671 8.480 9.648 60 HB3 LYS 8 1HB LYS 8 -11.954 8.558 8.044 61 HG2 LYS 8 2HG LYS 8 -9.759 7.959 8.946 62 HG3 LYS 8 1HG LYS 8 -10.402 7.976 10.590 63 HD2 LYS 8 2HD LYS 8 -11.268 6.070 8.375 64 HD3 LYS 8 1HD LYS 8 -10.168 5.670 9.697 65 HE2 LYS 8 2HE LYS 8 -11.981 6.076 11.332 66 HE3 LYS 8 1HE LYS 8 -13.079 6.493 10.014 67 HZ1 LYS 8 3HZ LYS 8 -11.812 3.851 10.478 68 HZ2 LYS 8 1HZ LYS 8 -12.765 4.246 9.138 69 HZ3 LYS 8 2HZ LYS 8 -13.444 4.245 10.686 70 H ILE 9 HN ILE 9 -11.176 10.729 6.833 71 HA ILE 9 HA ILE 9 -8.454 10.453 6.302 72 HB ILE 9 HB ILE 9 -10.619 12.088 4.909 73 HG12 ILE 9 2HG1 ILE 9 -10.961 9.679 4.771 74 HG13 ILE 9 1HG1 ILE 9 -10.511 10.271 3.181 75 HG21 ILE 9 1HG2 ILE 9 -9.177 12.379 2.932 76 HG22 ILE 9 2HG2 ILE 9 -7.822 11.691 3.822 77 HG23 ILE 9 3HG2 ILE 9 -8.532 13.212 4.347 78 HD11 ILE 9 3HD1 ILE 9 -9.452 8.154 3.683 79 HD12 ILE 9 1HD1 ILE 9 -8.704 8.844 5.127 80 HD13 ILE 9 2HD1 ILE 9 -8.241 9.426 3.524 81 H LYS 10 HN LYS 10 -10.236 13.214 7.525 82 HA LYS 10 HA LYS 10 -8.303 15.241 7.094 83 HB2 LYS 10 2HB LYS 10 -10.312 15.327 9.369 84 HB3 LYS 10 1HB LYS 10 -9.671 16.666 8.420 85 HG2 LYS 10 2HG LYS 10 -10.916 15.676 6.427 86 HG3 LYS 10 1HG LYS 10 -11.689 14.583 7.568 87 HD2 LYS 10 2HD LYS 10 -13.273 16.293 7.382 88 HD3 LYS 10 1HD LYS 10 -12.391 16.772 8.837 89 HE2 LYS 10 2HE LYS 10 -12.735 18.711 7.401 90 HE3 LYS 10 1HE LYS 10 -11.011 18.318 7.430 91 HZ1 LYS 10 3HZ LYS 10 -11.308 17.143 5.311 92 HZ2 LYS 10 1HZ LYS 10 -11.760 18.767 5.186 93 HZ3 LYS 10 2HZ LYS 10 -12.948 17.567 5.293 94 H SER 11 HN SER 11 -8.650 12.842 9.605 95 HA SER 11 HA SER 11 -6.389 13.977 11.160 96 HB2 SER 11 2HB SER 11 -8.542 12.026 12.092 97 HB3 SER 11 1HB SER 11 -7.301 12.776 13.101 98 HG SER 11 HG SER 11 -8.583 14.735 11.854 99 H LEU 12 HN LEU 12 -6.646 11.940 8.726 100 HA LEU 12 HA LEU 12 -5.165 9.637 9.907 101 HB2 LEU 12 2HB LEU 12 -7.420 9.070 9.031 102 HB3 LEU 12 1HB LEU 12 -6.989 9.740 7.469 103 HG LEU 12 HG LEU 12 -5.293 7.936 7.172 104 HD11 LEU 12 1HD1 LEU 12 -6.348 6.850 9.804 105 HD12 LEU 12 2HD1 LEU 12 -4.726 7.480 9.492 106 HD13 LEU 12 3HD1 LEU 12 -5.260 6.002 8.697 107 HD21 LEU 12 3HD2 LEU 12 -7.559 7.685 6.258 108 HD22 LEU 12 1HD2 LEU 12 -8.101 6.930 7.761 109 HD23 LEU 12 2HD2 LEU 12 -6.898 6.127 6.747 110 H ASN 13 HN ASN 13 -5.627 11.531 6.947 111 HA ASN 13 HA ASN 13 -3.326 10.658 5.534 112 HB2 ASN 13 2HB ASN 13 -5.186 13.035 5.210 113 HB3 ASN 13 1HB ASN 13 -3.805 12.804 4.142 114 HD21 ASN 13 1HD2 ASN 13 -5.881 10.208 5.438 115 HD22 ASN 13 2HD2 ASN 13 -6.503 9.746 3.904 116 H ARG 14 HN ARG 14 -3.733 12.985 8.027 117 HA ARG 14 HA ARG 14 -1.580 14.743 7.398 118 HB2 ARG 14 2HB ARG 14 -2.886 14.137 10.084 119 HB3 ARG 14 1HB ARG 14 -1.786 15.475 9.775 120 HG2 ARG 14 2HG ARG 14 -4.574 15.091 8.639 121 HG3 ARG 14 1HG ARG 14 -4.032 16.330 9.777 122 HD2 ARG 14 2HD ARG 14 -3.296 16.066 6.841 123 HD3 ARG 14 1HD ARG 14 -4.244 17.349 7.595 124 HE ARG 14 HE ARG 14 -1.962 17.675 8.893 125 HH11 ARG 14 1HH1 ARG 14 -2.406 17.112 5.441 126 HH12 ARG 14 2HH1 ARG 14 -0.954 17.948 5.008 127 HH21 ARG 14 1HH2 ARG 14 -0.049 18.736 8.283 128 HH22 ARG 14 2HH2 ARG 14 0.368 18.869 6.609 129 H MET 15 HN MET 15 -1.740 11.583 8.909 130 HA MET 15 HA MET 15 1.089 11.608 9.657 131 HB2 MET 15 2HB MET 15 -0.982 9.367 9.771 132 HB3 MET 15 1HB MET 15 0.641 9.299 10.453 133 HG2 MET 15 2HG MET 15 0.080 10.955 12.111 134 HG3 MET 15 1HG MET 15 -1.481 11.268 11.349 135 HE1 MET 15 3HE MET 15 -3.544 9.554 11.414 136 HE2 MET 15 1HE MET 15 -3.429 7.934 12.102 137 HE3 MET 15 2HE MET 15 -2.540 8.331 10.631 138 H GLN 16 HN GLN 16 -1.039 9.482 7.643 139 HA GLN 16 HA GLN 16 1.322 8.173 6.600 140 HB2 GLN 16 2HB GLN 16 -0.299 6.518 5.669 141 HB3 GLN 16 1HB GLN 16 -0.406 6.752 7.405 142 HG2 GLN 16 2HG GLN 16 -2.431 8.082 7.153 143 HG3 GLN 16 1HG GLN 16 -2.296 8.005 5.395 144 HE21 GLN 16 1HE2 GLN 16 -1.621 5.197 7.404 145 HE22 GLN 16 2HE2 GLN 16 -3.009 4.313 6.946 146 H TYR 17 HN TYR 17 -0.641 10.663 5.295 147 HA TYR 17 HA TYR 17 -0.278 9.797 2.492 148 HB2 TYR 17 2HB TYR 17 -2.461 10.850 3.063 149 HB3 TYR 17 1HB TYR 17 -1.626 12.309 3.580 150 HD1 TYR 17 HD2 TYR 17 -0.579 13.831 1.880 151 HD2 TYR 17 HD1 TYR 17 -2.783 10.361 0.690 152 HE1 TYR 17 HE2 TYR 17 -0.668 14.677 -0.420 153 HE2 TYR 17 HE1 TYR 17 -2.869 11.214 -1.611 154 HH TYR 17 HH TYR 17 -0.896 13.661 -2.735 155 H GLU 18 HN GLU 18 0.774 12.096 4.900 156 HA GLU 18 HA GLU 18 2.556 13.689 3.362 157 HB2 GLU 18 2HB GLU 18 2.684 12.966 6.329 158 HB3 GLU 18 1HB GLU 18 3.572 14.279 5.556 159 HG2 GLU 18 2HG GLU 18 0.560 14.076 5.838 160 HG3 GLU 18 1HG GLU 18 1.624 15.118 6.780 161 H VAL 19 HN VAL 19 2.700 10.518 4.715 162 HA VAL 19 HA VAL 19 5.528 10.096 4.499 163 HB VAL 19 HB VAL 19 3.211 8.158 4.916 164 HG11 VAL 19 1HG1 VAL 19 6.191 7.617 5.086 165 HG12 VAL 19 2HG1 VAL 19 5.088 6.972 3.869 166 HG13 VAL 19 3HG1 VAL 19 4.919 6.489 5.556 167 HG21 VAL 19 3HG2 VAL 19 3.583 9.769 6.745 168 HG22 VAL 19 1HG2 VAL 19 5.266 9.256 6.867 169 HG23 VAL 19 2HG2 VAL 19 3.964 8.124 7.254 170 H THR 20 HN THR 20 2.697 8.739 2.715 171 HA THR 20 HA THR 20 3.826 7.458 0.614 172 HB THR 20 HB THR 20 1.389 9.277 0.291 173 HG1 THR 20 HG1 THR 20 0.313 7.179 0.922 174 HG21 THR 20 3HG2 THR 20 2.141 8.243 -1.828 175 HG22 THR 20 1HG2 THR 20 0.618 7.537 -1.303 176 HG23 THR 20 2HG2 THR 20 2.124 6.647 -1.071 177 H GLN 21 HN GLN 21 3.832 10.897 1.042 178 HA GLN 21 HA GLN 21 4.053 11.895 -1.573 179 HB2 GLN 21 2HB GLN 21 3.597 13.182 0.568 180 HB3 GLN 21 1HB GLN 21 5.309 13.064 0.937 181 HG2 GLN 21 2HG GLN 21 4.873 15.241 0.028 182 HG3 GLN 21 1HG GLN 21 5.808 14.331 -1.156 183 HE21 GLN 21 1HE2 GLN 21 2.606 15.576 -0.376 184 HE22 GLN 21 2HE2 GLN 21 1.992 15.514 -1.988 185 H ASN 22 HN ASN 22 6.437 10.307 0.414 186 HA ASN 22 HA ASN 22 8.444 10.299 -1.686 187 HB2 ASN 22 2HB ASN 22 10.243 11.281 -0.243 188 HB3 ASN 22 1HB ASN 22 8.968 12.442 -0.596 189 HD21 ASN 22 1HD2 ASN 22 10.452 10.478 1.887 190 HD22 ASN 22 2HD2 ASN 22 9.670 11.233 3.235 191 H ASN 23 HN ASN 23 6.756 8.593 0.367 192 HA ASN 23 HA ASN 23 6.850 6.868 1.805 193 HB2 ASN 23 2HB ASN 23 9.243 6.129 0.071 194 HB3 ASN 23 1HB ASN 23 8.528 5.044 1.257 195 HD21 ASN 23 1HD2 ASN 23 8.082 6.578 -1.849 196 HD22 ASN 23 2HD2 ASN 23 6.740 5.615 -2.351 197 H GLY 24 HN GLY 24 7.306 8.498 3.454 198 HA2 GLY 24 2HA GLY 24 9.975 8.571 4.657 199 HA3 GLY 24 1HA GLY 24 8.557 9.459 5.186 200 H THR 25 HN THR 25 9.955 8.382 7.215 201 HA THR 25 HA THR 25 8.601 5.841 7.901 202 HB THR 25 HB THR 25 11.054 5.743 7.989 203 HG1 THR 25 HG1 THR 25 10.632 4.349 9.488 204 HG21 THR 25 3HG2 THR 25 12.381 6.899 9.689 205 HG22 THR 25 1HG2 THR 25 10.952 7.787 10.236 206 HG23 THR 25 2HG2 THR 25 11.605 8.069 8.622 207 H GLU 26 HN GLU 26 6.800 6.041 9.042 208 HA GLU 26 HA GLU 26 6.650 7.697 11.427 209 HB2 GLU 26 2HB GLU 26 4.817 8.089 9.035 210 HB3 GLU 26 1HB GLU 26 4.224 8.403 10.659 211 HG2 GLU 26 2HG GLU 26 6.594 9.791 9.373 212 HG3 GLU 26 1HG GLU 26 4.959 10.442 9.490 213 HA PRO 27 HA PRO 27 4.600 3.871 12.533 214 HB2 PRO 27 2HB PRO 27 3.631 4.514 14.991 215 HB3 PRO 27 1HB PRO 27 5.353 4.297 14.672 216 HG2 PRO 27 2HG PRO 27 3.776 6.847 14.909 217 HG3 PRO 27 1HG PRO 27 5.376 6.454 15.572 218 HD2 PRO 27 2HD PRO 27 5.001 7.908 13.266 219 HD3 PRO 27 1HD PRO 27 6.454 6.931 13.578 220 HA PRO 28 HA PRO 28 0.369 4.757 11.054 221 HB2 PRO 28 2HB PRO 28 -0.453 2.157 10.666 222 HB3 PRO 28 1HB PRO 28 0.616 3.014 9.552 223 HG2 PRO 28 2HG PRO 28 1.311 0.996 11.666 224 HG3 PRO 28 1HG PRO 28 1.986 1.188 10.035 225 HD2 PRO 28 2HD PRO 28 3.246 2.095 12.315 226 HD3 PRO 28 1HD PRO 28 3.488 2.816 10.711 227 H PHE 29 HN PHE 29 0.429 1.830 13.141 228 HA PHE 29 HA PHE 29 -1.884 2.743 14.694 229 HB2 PHE 29 2HB PHE 29 -1.855 0.420 13.818 230 HB3 PHE 29 1HB PHE 29 -0.331 0.098 14.633 231 HD1 PHE 29 HD2 PHE 29 -3.900 1.051 15.355 232 HD2 PHE 29 HD1 PHE 29 -0.365 -0.904 16.778 233 HE1 PHE 29 HE2 PHE 29 -5.128 0.251 17.332 234 HE2 PHE 29 HE1 PHE 29 -1.601 -1.699 18.749 235 HZ PHE 29 HZ PHE 29 -3.980 -1.122 19.028 236 H GLN 30 HN GLN 30 1.459 2.948 14.779 237 HA GLN 30 HA GLN 30 3.104 3.389 16.193 238 HB2 GLN 30 2HB GLN 30 1.024 4.246 18.236 239 HB3 GLN 30 1HB GLN 30 2.731 4.676 18.217 240 HG2 GLN 30 2HG GLN 30 2.258 5.838 15.975 241 HG3 GLN 30 1HG GLN 30 0.544 5.630 16.350 242 HE21 GLN 30 1HE2 GLN 30 0.083 7.795 16.565 243 HE22 GLN 30 2HE2 GLN 30 0.709 8.788 17.829 244 H ASN 31 HN ASN 31 3.809 1.329 16.329 245 HA ASN 31 HA ASN 31 2.935 -0.394 18.570 246 HB2 ASN 31 2HB ASN 31 4.508 -1.088 16.054 247 HB3 ASN 31 1HB ASN 31 4.003 -2.227 17.289 248 HD21 ASN 31 1HD2 ASN 31 2.742 -3.509 16.000 249 HD22 ASN 31 2HD2 ASN 31 1.298 -2.985 15.210 250 H GLU 32 HN GLU 32 5.075 -1.967 19.035 251 HA GLU 32 HA GLU 32 7.031 -0.227 20.301 252 HB2 GLU 32 2HB GLU 32 6.824 -3.275 20.205 253 HB3 GLU 32 1HB GLU 32 7.953 -2.366 21.215 254 HG2 GLU 32 2HG GLU 32 6.091 -1.353 22.434 255 HG3 GLU 32 1HG GLU 32 4.932 -2.176 21.397 256 H TYR 33 HN TYR 33 7.334 -3.046 18.108 257 HA TYR 33 HA TYR 33 9.563 -1.728 16.647 258 HB2 TYR 33 2HB TYR 33 10.603 -3.466 17.909 259 HB3 TYR 33 1HB TYR 33 9.253 -4.562 17.706 260 HD1 TYR 33 HD1 TYR 33 12.179 -3.052 15.865 261 HD2 TYR 33 HD2 TYR 33 9.310 -6.234 16.001 262 HE1 TYR 33 HE1 TYR 33 13.376 -4.230 14.061 263 HE2 TYR 33 HE2 TYR 33 10.515 -7.391 14.210 264 HH TYR 33 HH TYR 33 13.596 -6.670 13.296 265 H TRP 34 HN TRP 34 6.461 -2.224 16.392 266 HA TRP 34 HA TRP 34 4.846 -2.736 14.903 267 HB2 TRP 34 2HB TRP 34 7.044 -2.465 12.806 268 HB3 TRP 34 1HB TRP 34 5.315 -2.438 12.490 269 HD1 TRP 34 HD1 TRP 34 3.955 -0.206 13.388 270 HE1 TRP 34 HE1 TRP 34 4.783 2.203 13.697 271 HE3 TRP 34 HE3 TRP 34 9.025 -1.025 13.383 272 HZ2 TRP 34 HZ2 TRP 34 7.216 3.586 13.894 273 HZ3 TRP 34 HZ3 TRP 34 10.528 0.909 13.632 274 HH2 TRP 34 HH2 TRP 34 9.638 3.168 13.881 275 H ASP 35 HN ASP 35 6.031 -4.695 16.293 276 HA ASP 35 HA ASP 35 7.142 -6.950 15.101 277 HB2 ASP 35 2HB ASP 35 5.215 -6.974 17.480 278 HB3 ASP 35 1HB ASP 35 6.463 -8.167 17.121 279 H HIS 36 HN HIS 36 3.766 -6.091 15.662 280 HA HIS 36 HA HIS 36 2.630 -8.588 14.825 281 HB2 HIS 36 2HB HIS 36 1.400 -5.862 15.401 282 HB3 HIS 36 1HB HIS 36 0.434 -7.242 14.895 283 HD1 HIS 36 HD1 HIS 36 -0.183 -8.924 16.669 284 HD2 HIS 36 HD2 HIS 36 2.652 -6.202 17.978 285 HE1 HIS 36 HE1 HIS 36 0.074 -9.354 19.126 286 HE2 HIS 36 HE2 HIS 36 1.939 -7.840 19.843 287 H LYS 37 HN LYS 37 3.491 -8.992 12.848 288 HA LYS 37 HA LYS 37 2.142 -7.691 10.553 289 HB2 LYS 37 2HB LYS 37 4.115 -8.266 9.166 290 HB3 LYS 37 1HB LYS 37 4.586 -7.228 10.508 291 HG2 LYS 37 2HG LYS 37 5.354 -9.312 11.738 292 HG3 LYS 37 1HG LYS 37 5.048 -10.215 10.257 293 HD2 LYS 37 2HD LYS 37 7.334 -9.794 10.066 294 HD3 LYS 37 1HD LYS 37 6.667 -8.449 9.144 295 HE2 LYS 37 2HE LYS 37 7.613 -8.328 12.035 296 HE3 LYS 37 1HE LYS 37 8.497 -7.727 10.635 297 HZ1 LYS 37 3HZ LYS 37 6.602 -6.184 10.256 298 HZ2 LYS 37 1HZ LYS 37 7.450 -5.905 11.694 299 HZ3 LYS 37 2HZ LYS 37 5.953 -6.682 11.734 300 H GLU 38 HN GLU 38 0.983 -9.552 12.154 301 HA GLU 38 HA GLU 38 1.411 -12.271 11.298 302 HB2 GLU 38 2HB GLU 38 -0.793 -11.069 13.022 303 HB3 GLU 38 1HB GLU 38 -0.456 -12.787 12.841 304 HG2 GLU 38 2HG GLU 38 1.684 -12.541 13.966 305 HG3 GLU 38 1HG GLU 38 1.484 -10.789 14.049 306 H GLU 39 HN GLU 39 -0.947 -13.429 11.074 307 HA GLU 39 HA GLU 39 -1.529 -13.338 8.395 308 HB2 GLU 39 2HB GLU 39 -3.479 -14.812 8.968 309 HB3 GLU 39 1HB GLU 39 -1.953 -15.306 9.691 310 HG2 GLU 39 2HG GLU 39 -2.627 -14.333 11.844 311 HG3 GLU 39 1HG GLU 39 -4.138 -13.771 11.135 312 H GLY 40 HN GLY 40 -3.099 -12.533 7.078 313 HA2 GLY 40 2HA GLY 40 -5.482 -11.542 7.138 314 HA3 GLY 40 1HA GLY 40 -4.712 -10.273 8.084 315 H LEU 41 HN LEU 41 -5.088 -8.662 6.581 316 HA LEU 41 HA LEU 41 -3.588 -8.813 4.024 317 HB2 LEU 41 2HB LEU 41 -6.236 -7.426 4.615 318 HB3 LEU 41 1HB LEU 41 -5.282 -7.098 3.171 319 HG LEU 41 HG LEU 41 -6.529 -9.783 3.887 320 HD11 LEU 41 1HD1 LEU 41 -8.056 -9.351 2.035 321 HD12 LEU 41 2HD1 LEU 41 -7.310 -7.770 1.763 322 HD13 LEU 41 3HD1 LEU 41 -8.185 -8.093 3.264 323 HD21 LEU 41 3HD2 LEU 41 -4.979 -8.944 1.409 324 HD22 LEU 41 1HD2 LEU 41 -5.865 -10.467 1.606 325 HD23 LEU 41 2HD2 LEU 41 -4.472 -10.118 2.628 326 H TYR 42 HN TYR 42 -2.582 -6.952 3.349 327 HA TYR 42 HA TYR 42 -2.260 -4.757 5.337 328 HB2 TYR 42 2HB TYR 42 -0.348 -5.477 3.058 329 HB3 TYR 42 1HB TYR 42 -0.101 -4.228 4.291 330 HD1 TYR 42 HD1 TYR 42 -0.013 -4.971 6.768 331 HD2 TYR 42 HD2 TYR 42 0.305 -7.703 3.498 332 HE1 TYR 42 HE1 TYR 42 0.914 -6.676 8.280 333 HE2 TYR 42 HE2 TYR 42 1.233 -9.382 4.997 334 HH TYR 42 HH TYR 42 1.037 -9.240 8.293 335 H VAL 43 HN VAL 43 -3.396 -3.053 4.877 336 HA VAL 43 HA VAL 43 -4.196 -2.474 2.088 337 HB VAL 43 HB VAL 43 -6.398 -1.790 2.892 338 HG11 VAL 43 1HG1 VAL 43 -7.335 -3.957 3.580 339 HG12 VAL 43 2HG1 VAL 43 -5.725 -4.530 4.031 340 HG13 VAL 43 3HG1 VAL 43 -6.093 -4.184 2.343 341 HG21 VAL 43 3HG2 VAL 43 -5.804 -0.874 5.090 342 HG22 VAL 43 1HG2 VAL 43 -5.454 -2.493 5.704 343 HG23 VAL 43 2HG2 VAL 43 -7.108 -2.050 5.263 344 H ASP 44 HN ASP 44 -4.432 -0.277 1.535 345 HA ASP 44 HA ASP 44 -2.924 1.655 3.111 346 HB2 ASP 44 2HB ASP 44 -3.368 3.240 1.244 347 HB3 ASP 44 1HB ASP 44 -2.690 1.739 0.643 348 H ILE 45 HN ILE 45 -3.988 2.277 4.920 349 HA ILE 45 HA ILE 45 -6.675 2.053 5.528 350 HB ILE 45 HB ILE 45 -4.932 4.228 6.775 351 HG12 ILE 45 2HG1 ILE 45 -5.015 1.285 7.595 352 HG13 ILE 45 1HG1 ILE 45 -3.696 2.052 6.719 353 HG21 ILE 45 1HG2 ILE 45 -6.274 3.832 8.820 354 HG22 ILE 45 2HG2 ILE 45 -7.222 2.607 7.978 355 HG23 ILE 45 3HG2 ILE 45 -7.309 4.294 7.470 356 HD11 ILE 45 3HD1 ILE 45 -3.277 3.524 8.642 357 HD12 ILE 45 1HD1 ILE 45 -3.131 1.815 9.055 358 HD13 ILE 45 2HD1 ILE 45 -4.572 2.716 9.533 359 H VAL 46 HN VAL 46 -5.034 4.779 4.040 360 HA VAL 46 HA VAL 46 -6.907 6.799 3.964 361 HB VAL 46 HB VAL 46 -5.938 7.293 1.553 362 HG11 VAL 46 1HG1 VAL 46 -5.201 8.488 3.584 363 HG12 VAL 46 2HG1 VAL 46 -3.867 8.206 2.467 364 HG13 VAL 46 3HG1 VAL 46 -4.036 7.206 3.912 365 HG21 VAL 46 3HG2 VAL 46 -3.846 6.141 1.015 366 HG22 VAL 46 1HG2 VAL 46 -5.175 4.978 1.113 367 HG23 VAL 46 2HG2 VAL 46 -4.020 5.110 2.444 368 H SER 47 HN SER 47 -7.062 3.829 2.005 369 HA SER 47 HA SER 47 -9.818 4.599 1.174 370 HB2 SER 47 2HB SER 47 -8.190 4.778 -0.731 371 HB3 SER 47 1HB SER 47 -7.821 3.067 -0.553 372 HG SER 47 HG SER 47 -9.345 3.200 -2.116 373 H GLY 48 HN GLY 48 -7.989 2.456 2.911 374 HA2 GLY 48 2HA GLY 48 -8.149 0.327 3.710 375 HA3 GLY 48 1HA GLY 48 -9.884 0.545 3.564 376 H LYS 49 HN LYS 49 -7.338 0.242 1.037 377 HA LYS 49 HA LYS 49 -8.945 -1.898 -0.249 378 HB2 LYS 49 2HB LYS 49 -6.948 0.073 -1.422 379 HB3 LYS 49 1HB LYS 49 -7.707 -1.222 -2.341 380 HG2 LYS 49 2HG LYS 49 -9.182 1.065 -0.995 381 HG3 LYS 49 1HG LYS 49 -8.774 0.973 -2.713 382 HD2 LYS 49 2HD LYS 49 -10.164 -1.110 -2.884 383 HD3 LYS 49 1HD LYS 49 -10.626 -0.901 -1.189 384 HE2 LYS 49 2HE LYS 49 -11.205 1.076 -3.429 385 HE3 LYS 49 1HE LYS 49 -12.368 -0.056 -2.731 386 HZ1 LYS 49 3HZ LYS 49 -11.006 2.149 -1.273 387 HZ2 LYS 49 1HZ LYS 49 -12.084 1.045 -0.592 388 HZ3 LYS 49 2HZ LYS 49 -12.622 2.130 -1.770 389 HA PRO 50 HA PRO 50 -5.742 -4.794 0.764 390 HB2 PRO 50 2HB PRO 50 -6.463 -6.675 -1.338 391 HB3 PRO 50 1HB PRO 50 -6.893 -6.728 0.371 392 HG2 PRO 50 2HG PRO 50 -8.678 -6.250 -1.715 393 HG3 PRO 50 1HG PRO 50 -8.964 -5.863 -0.013 394 HD2 PRO 50 2HD PRO 50 -8.176 -4.048 -2.256 395 HD3 PRO 50 1HD PRO 50 -9.184 -3.720 -0.830 396 H LEU 51 HN LEU 51 -3.633 -4.736 0.326 397 HA LEU 51 HA LEU 51 -2.702 -4.212 -2.455 398 HB2 LEU 51 2HB LEU 51 -1.287 -3.417 0.119 399 HB3 LEU 51 1HB LEU 51 -0.861 -2.946 -1.527 400 HG LEU 51 HG LEU 51 -3.302 -2.066 0.051 401 HD11 LEU 51 1HD1 LEU 51 -0.900 -0.503 -0.927 402 HD12 LEU 51 2HD1 LEU 51 -1.261 -0.972 0.737 403 HD13 LEU 51 3HD1 LEU 51 -2.312 0.159 -0.099 404 HD21 LEU 51 3HD2 LEU 51 -3.905 -0.660 -1.884 405 HD22 LEU 51 1HD2 LEU 51 -3.959 -2.375 -2.286 406 HD23 LEU 51 2HD2 LEU 51 -2.604 -1.385 -2.830 407 H PHE 52 HN PHE 52 -2.071 -5.922 0.581 408 HA PHE 52 HA PHE 52 -0.431 -7.900 -0.851 409 HB2 PHE 52 2HB PHE 52 0.482 -6.520 1.724 410 HB3 PHE 52 1HB PHE 52 1.283 -7.899 0.979 411 HD1 PHE 52 HD2 PHE 52 2.145 -7.558 -1.478 412 HD2 PHE 52 HD1 PHE 52 1.196 -4.336 1.177 413 HE1 PHE 52 HE2 PHE 52 3.528 -6.034 -2.823 414 HE2 PHE 52 HE1 PHE 52 2.585 -2.828 -0.174 415 HZ PHE 52 HZ PHE 52 3.753 -3.671 -2.174 416 H THR 53 HN THR 53 -0.247 -9.866 0.300 417 HA THR 53 HA THR 53 -2.161 -10.275 2.522 418 HB THR 53 HB THR 53 -2.781 -11.655 0.613 419 HG1 THR 53 HG1 THR 53 -2.760 -13.644 1.686 420 HG21 THR 53 3HG2 THR 53 -1.298 -13.359 -0.365 421 HG22 THR 53 1HG2 THR 53 0.027 -12.835 0.680 422 HG23 THR 53 2HG2 THR 53 -0.597 -11.752 -0.568 423 H SER 54 HN SER 54 -1.472 -11.379 4.322 424 HA SER 54 HA SER 54 1.218 -11.106 5.156 425 HB2 SER 54 2HB SER 54 -0.725 -11.054 6.695 426 HB3 SER 54 1HB SER 54 -0.955 -12.784 6.439 427 HG SER 54 HG SER 54 1.517 -11.749 7.290 428 H LYS 55 HN LYS 55 -0.306 -13.630 3.438 429 HA LYS 55 HA LYS 55 1.279 -15.878 3.867 430 HB2 LYS 55 2HB LYS 55 -0.709 -15.823 2.392 431 HB3 LYS 55 1HB LYS 55 0.158 -14.824 1.233 432 HG2 LYS 55 2HG LYS 55 1.714 -16.688 0.780 433 HG3 LYS 55 1HG LYS 55 0.868 -17.685 1.973 434 HD2 LYS 55 2HD LYS 55 -1.220 -17.474 0.607 435 HD3 LYS 55 1HD LYS 55 -0.304 -16.575 -0.608 436 HE2 LYS 55 2HE LYS 55 0.294 -19.435 0.244 437 HE3 LYS 55 1HE LYS 55 -0.619 -18.976 -1.194 438 HZ1 LYS 55 3HZ LYS 55 1.333 -17.825 -2.033 439 HZ2 LYS 55 1HZ LYS 55 1.681 -19.451 -1.726 440 HZ3 LYS 55 2HZ LYS 55 2.212 -18.259 -0.655 441 H ASP 56 HN ASP 56 1.933 -12.983 1.949 442 HA ASP 56 HA ASP 56 4.802 -13.695 1.729 443 HB2 ASP 56 2HB ASP 56 3.101 -12.420 -0.469 444 HB3 ASP 56 1HB ASP 56 4.839 -12.662 -0.543 445 H LYS 57 HN LYS 57 3.833 -12.234 3.847 446 HA LYS 57 HA LYS 57 3.946 -9.431 3.413 447 HB2 LYS 57 2HB LYS 57 4.226 -9.325 5.936 448 HB3 LYS 57 1HB LYS 57 2.811 -10.175 5.353 449 HG2 LYS 57 2HG LYS 57 3.509 -11.530 7.099 450 HG3 LYS 57 1HG LYS 57 4.192 -12.337 5.692 451 HD2 LYS 57 2HD LYS 57 6.397 -11.180 6.234 452 HD3 LYS 57 1HD LYS 57 5.647 -10.611 7.731 453 HE2 LYS 57 2HE LYS 57 6.094 -13.510 6.922 454 HE3 LYS 57 1HE LYS 57 6.953 -12.622 8.182 455 HZ1 LYS 57 3HZ LYS 57 5.263 -14.021 9.147 456 HZ2 LYS 57 1HZ LYS 57 4.060 -13.311 8.197 457 HZ3 LYS 57 2HZ LYS 57 4.847 -12.401 9.382 458 H PHE 58 HN PHE 58 5.528 -7.945 4.211 459 HA PHE 58 HA PHE 58 8.325 -8.914 4.311 460 HB2 PHE 58 2HB PHE 58 7.673 -7.785 2.092 461 HB3 PHE 58 1HB PHE 58 7.423 -6.294 2.996 462 HD1 PHE 58 HD2 PHE 58 10.010 -8.859 2.129 463 HD2 PHE 58 HD1 PHE 58 9.275 -4.870 3.457 464 HE1 PHE 58 HE2 PHE 58 12.410 -8.343 1.934 465 HE2 PHE 58 HE1 PHE 58 11.661 -4.362 3.259 466 HZ PHE 58 HZ PHE 58 13.234 -6.095 2.505 467 H ASP 59 HN ASP 59 9.734 -7.093 5.245 468 HA ASP 59 HA ASP 59 9.208 -6.557 7.887 469 HB2 ASP 59 2HB ASP 59 11.449 -6.505 6.861 470 HB3 ASP 59 1HB ASP 59 11.018 -5.071 5.944 471 H SER 60 HN SER 60 8.609 -4.723 9.060 472 HA SER 60 HA SER 60 6.508 -3.101 7.850 473 HB2 SER 60 2HB SER 60 6.139 -2.533 10.357 474 HB3 SER 60 1HB SER 60 5.882 -4.207 9.857 475 HG SER 60 HG SER 60 8.313 -3.236 10.976 476 H GLN 61 HN GLN 61 6.829 -0.922 9.976 477 HA GLN 61 HA GLN 61 8.013 0.926 8.156 478 HB2 GLN 61 2HB GLN 61 5.991 1.428 9.555 479 HB3 GLN 61 1HB GLN 61 7.019 1.477 10.981 480 HG2 GLN 61 2HG GLN 61 6.497 3.728 10.188 481 HG3 GLN 61 1HG GLN 61 8.225 3.414 10.064 482 HE21 GLN 61 1HE2 GLN 61 9.159 3.169 7.961 483 HE22 GLN 61 2HE2 GLN 61 8.349 3.721 6.539 484 H CYS 62 HN CYS 62 9.484 -0.890 10.626 485 HA CYS 62 HA CYS 62 11.754 0.675 11.222 486 HB2 CYS 62 2HB CYS 62 12.820 -1.738 11.370 487 HB3 CYS 62 1HB CYS 62 11.543 -1.277 12.488 488 HG CYS 62 HG CYS 62 10.627 -2.796 9.612 489 H GLY 63 HN GLY 63 10.802 -0.898 8.282 490 HA2 GLY 63 2HA GLY 63 12.867 0.607 6.835 491 HA3 GLY 63 1HA GLY 63 12.611 -1.095 6.442 492 H TRP 64 HN TRP 64 12.082 -0.183 4.276 493 HA TRP 64 HA TRP 64 9.211 0.537 4.091 494 HB2 TRP 64 2HB TRP 64 11.511 1.420 2.299 495 HB3 TRP 64 1HB TRP 64 9.815 1.628 1.870 496 HD1 TRP 64 HD1 TRP 64 8.424 3.475 3.203 497 HE1 TRP 64 HE1 TRP 64 9.148 5.456 4.636 498 HE3 TRP 64 HE3 TRP 64 13.314 2.212 3.989 499 HZ2 TRP 64 HZ2 TRP 64 11.441 6.390 5.956 500 HZ3 TRP 64 HZ3 TRP 64 14.710 3.702 5.369 501 HH2 TRP 64 HH2 TRP 64 13.783 5.754 6.332 502 HA PRO 65 HA PRO 65 9.218 -3.501 1.984 503 HB2 PRO 65 2HB PRO 65 6.349 -2.895 1.430 504 HB3 PRO 65 1HB PRO 65 7.058 -4.265 2.293 505 HG2 PRO 65 2HG PRO 65 5.708 -2.307 3.580 506 HG3 PRO 65 1HG PRO 65 7.087 -3.140 4.326 507 HD2 PRO 65 2HD PRO 65 6.995 -0.416 3.034 508 HD3 PRO 65 1HD PRO 65 7.845 -0.941 4.505 509 H SER 66 HN SER 66 10.340 -3.238 0.071 510 HA SER 66 HA SER 66 8.847 -2.128 -2.238 511 HB2 SER 66 2HB SER 66 11.097 -2.084 -3.391 512 HB3 SER 66 1HB SER 66 10.999 -1.005 -2.002 513 HG SER 66 HG SER 66 12.946 -2.247 -2.090 514 H PHE 67 HN PHE 67 7.564 -3.891 -2.597 515 HA PHE 67 HA PHE 67 8.752 -6.591 -2.512 516 HB2 PHE 67 2HB PHE 67 6.683 -5.916 -1.130 517 HB3 PHE 67 1HB PHE 67 5.784 -5.889 -2.643 518 HD1 PHE 67 HD1 PHE 67 8.070 -8.156 -0.694 519 HD2 PHE 67 HD2 PHE 67 4.665 -7.882 -3.271 520 HE1 PHE 67 HE1 PHE 67 7.695 -10.569 -0.472 521 HE2 PHE 67 HE2 PHE 67 4.312 -10.303 -3.040 522 HZ PHE 67 HZ PHE 67 5.822 -11.646 -1.643 523 H THR 68 HN THR 68 7.886 -8.201 -4.154 524 HA THR 68 HA THR 68 8.489 -7.066 -6.775 525 HB THR 68 HB THR 68 8.726 -9.521 -7.416 526 HG1 THR 68 HG1 THR 68 7.606 -10.669 -5.974 527 HG21 THR 68 3HG2 THR 68 10.851 -9.863 -6.226 528 HG22 THR 68 1HG2 THR 68 10.434 -8.588 -5.076 529 HG23 THR 68 2HG2 THR 68 10.703 -8.194 -6.776 530 H LYS 69 HN LYS 69 5.791 -8.683 -5.130 531 HA LYS 69 HA LYS 69 4.157 -8.502 -7.576 532 HB2 LYS 69 2HB LYS 69 5.104 -10.820 -7.467 533 HB3 LYS 69 1HB LYS 69 4.368 -11.034 -5.883 534 HG2 LYS 69 2HG LYS 69 3.035 -12.124 -7.616 535 HG3 LYS 69 1HG LYS 69 2.124 -10.801 -6.873 536 HD2 LYS 69 2HD LYS 69 2.694 -9.343 -8.822 537 HD3 LYS 69 1HD LYS 69 3.561 -10.694 -9.569 538 HE2 LYS 69 2HE LYS 69 1.293 -10.431 -10.510 539 HE3 LYS 69 1HE LYS 69 1.461 -11.983 -9.688 540 HZ1 LYS 69 3HZ LYS 69 0.194 -9.557 -8.513 541 HZ2 LYS 69 1HZ LYS 69 0.305 -11.076 -7.784 542 HZ3 LYS 69 2HZ LYS 69 -0.643 -10.874 -9.168 543 HA PRO 70 HA PRO 70 1.419 -7.124 -4.140 544 HB2 PRO 70 2HB PRO 70 0.494 -4.885 -5.236 545 HB3 PRO 70 1HB PRO 70 2.184 -4.956 -4.706 546 HG2 PRO 70 2HG PRO 70 1.063 -5.251 -7.495 547 HG3 PRO 70 1HG PRO 70 2.467 -4.307 -6.953 548 HD2 PRO 70 2HD PRO 70 2.612 -6.889 -8.035 549 HD3 PRO 70 1HD PRO 70 3.872 -6.143 -7.028 550 H ILE 71 HN ILE 71 -0.956 -6.426 -4.302 551 HA ILE 71 HA ILE 71 -2.513 -8.231 -5.982 552 HB ILE 71 HB ILE 71 -3.429 -6.178 -3.906 553 HG12 ILE 71 2HG1 ILE 71 -3.368 -9.235 -3.797 554 HG13 ILE 71 1HG1 ILE 71 -2.235 -8.169 -2.971 555 HG21 ILE 71 1HG2 ILE 71 -5.139 -8.174 -5.444 556 HG22 ILE 71 2HG2 ILE 71 -5.175 -6.418 -5.615 557 HG23 ILE 71 3HG2 ILE 71 -5.697 -7.165 -4.104 558 HD11 ILE 71 3HD1 ILE 71 -5.197 -8.406 -2.418 559 HD12 ILE 71 1HD1 ILE 71 -4.097 -7.286 -1.608 560 HD13 ILE 71 2HD1 ILE 71 -3.881 -9.028 -1.424 561 H GLU 72 HN GLU 72 -2.774 -7.662 -8.009 562 HA GLU 72 HA GLU 72 -1.918 -5.168 -9.069 563 HB2 GLU 72 2HB GLU 72 -3.291 -7.532 -10.418 564 HB3 GLU 72 1HB GLU 72 -2.568 -6.174 -11.280 565 HG2 GLU 72 2HG GLU 72 -0.366 -6.778 -10.604 566 HG3 GLU 72 1HG GLU 72 -0.962 -7.925 -9.406 567 H GLU 73 HN GLU 73 -4.948 -6.175 -7.919 568 HA GLU 73 HA GLU 73 -6.706 -4.828 -9.743 569 HB2 GLU 73 2HB GLU 73 -7.211 -5.824 -6.900 570 HB3 GLU 73 1HB GLU 73 -8.458 -5.326 -8.045 571 HG2 GLU 73 2HG GLU 73 -6.573 -7.687 -8.372 572 HG3 GLU 73 1HG GLU 73 -8.267 -7.776 -7.903 573 H GLU 74 HN GLU 74 -5.133 -4.003 -6.689 574 HA GLU 74 HA GLU 74 -6.437 -1.342 -6.654 575 HB2 GLU 74 2HB GLU 74 -4.954 -2.840 -4.444 576 HB3 GLU 74 1HB GLU 74 -5.716 -1.255 -4.284 577 HG2 GLU 74 2HG GLU 74 -7.107 -3.898 -4.804 578 HG3 GLU 74 1HG GLU 74 -7.152 -2.934 -3.326 579 H VAL 75 HN VAL 75 -3.717 -2.673 -7.863 580 HA VAL 75 HA VAL 75 -2.002 -0.352 -7.260 581 HB VAL 75 HB VAL 75 -1.094 -3.222 -7.801 582 HG11 VAL 75 1HG1 VAL 75 0.483 -0.646 -7.378 583 HG12 VAL 75 2HG1 VAL 75 0.483 -1.679 -8.815 584 HG13 VAL 75 3HG1 VAL 75 1.202 -2.262 -7.313 585 HG21 VAL 75 3HG2 VAL 75 -1.965 -2.954 -5.504 586 HG22 VAL 75 1HG2 VAL 75 -0.895 -1.575 -5.252 587 HG23 VAL 75 2HG2 VAL 75 -0.215 -3.183 -5.487 588 H GLU 76 HN GLU 76 -1.837 0.849 -8.960 589 HA GLU 76 HA GLU 76 -1.559 -0.323 -11.670 590 HB2 GLU 76 2HB GLU 76 -3.767 0.744 -11.519 591 HB3 GLU 76 1HB GLU 76 -3.056 2.217 -10.863 592 HG2 GLU 76 2HG GLU 76 -1.895 2.606 -13.003 593 HG3 GLU 76 1HG GLU 76 -2.593 1.118 -13.650 594 H GLU 77 HN GLU 77 0.411 0.133 -12.492 595 HA GLU 77 HA GLU 77 2.043 2.216 -11.250 596 HB2 GLU 77 2HB GLU 77 3.950 1.085 -12.471 597 HB3 GLU 77 1HB GLU 77 3.160 0.119 -11.245 598 HG2 GLU 77 2HG GLU 77 3.519 -1.427 -12.931 599 HG3 GLU 77 1HG GLU 77 1.845 -0.955 -13.190 600 H LYS 78 HN LYS 78 2.885 3.897 -12.387 601 HA LYS 78 HA LYS 78 2.212 4.366 -15.168 602 HB2 LYS 78 2HB LYS 78 0.921 6.484 -14.582 603 HB3 LYS 78 1HB LYS 78 0.103 4.969 -14.219 604 HG2 LYS 78 2HG LYS 78 0.961 5.287 -11.800 605 HG3 LYS 78 1HG LYS 78 1.341 6.945 -12.286 606 HD2 LYS 78 2HD LYS 78 -1.055 7.274 -12.921 607 HD3 LYS 78 1HD LYS 78 -1.407 5.627 -12.385 608 HE2 LYS 78 2HE LYS 78 -2.062 7.138 -10.629 609 HE3 LYS 78 1HE LYS 78 -0.620 6.282 -10.083 610 HZ1 LYS 78 3HZ LYS 78 0.704 8.218 -10.647 611 HZ2 LYS 78 1HZ LYS 78 -0.533 8.652 -9.582 612 HZ3 LYS 78 2HZ LYS 78 -0.658 9.030 -11.224 613 H LEU 79 HN LEU 79 3.888 5.333 -16.017 614 HA LEU 79 HA LEU 79 6.160 6.126 -14.524 615 HB2 LEU 79 2HB LEU 79 6.159 5.046 -16.801 616 HB3 LEU 79 1HB LEU 79 5.552 6.548 -17.473 617 HG LEU 79 HG LEU 79 7.649 7.691 -16.707 618 HD11 LEU 79 1HD1 LEU 79 8.574 4.902 -15.971 619 HD12 LEU 79 2HD1 LEU 79 8.265 6.236 -14.859 620 HD13 LEU 79 3HD1 LEU 79 9.586 6.350 -16.015 621 HD21 LEU 79 3HD2 LEU 79 9.117 6.754 -18.449 622 HD22 LEU 79 1HD2 LEU 79 7.458 6.927 -19.019 623 HD23 LEU 79 2HD2 LEU 79 8.074 5.333 -18.573 624 H ASP 80 HN ASP 80 6.809 8.139 -13.928 625 HA ASP 80 HA ASP 80 5.363 10.535 -14.817 626 HB2 ASP 80 2HB ASP 80 4.179 9.590 -12.776 627 HB3 ASP 80 1HB ASP 80 5.670 9.789 -11.860 628 H THR 81 HN THR 81 7.013 11.807 -15.499 629 HA THR 81 HA THR 81 9.613 11.928 -14.278 630 HB THR 81 HB THR 81 9.459 12.498 -16.617 631 HG1 THR 81 HG1 THR 81 9.914 14.940 -15.244 632 HG21 THR 81 3HG2 THR 81 8.274 14.457 -17.506 633 HG22 THR 81 1HG2 THR 81 7.621 14.801 -15.902 634 HG23 THR 81 2HG2 THR 81 7.141 13.332 -16.753 635 H SER 82 HN SER 82 9.479 12.350 -12.128 636 HA SER 82 HA SER 82 7.322 13.858 -11.016 637 HB2 SER 82 2HB SER 82 9.746 12.638 -9.623 638 HB3 SER 82 1HB SER 82 8.225 13.116 -8.859 639 HG SER 82 HG SER 82 7.501 11.529 -10.785 640 H HIS 83 HN HIS 83 10.860 14.253 -10.522 641 HA HIS 83 HA HIS 83 10.725 17.139 -10.834 642 HB2 HIS 83 2HB HIS 83 11.482 15.927 -8.132 643 HB3 HIS 83 1HB HIS 83 11.885 17.568 -8.597 644 HD1 HIS 83 HD1 HIS 83 9.407 15.730 -6.814 645 HD2 HIS 83 HD2 HIS 83 9.359 19.115 -9.229 646 HE1 HIS 83 HE1 HIS 83 7.243 16.887 -6.301 647 HE2 HIS 83 HE2 HIS 83 7.140 18.800 -7.931 648 H GLY 84 HN GLY 84 12.094 16.783 -12.550 649 HA2 GLY 84 2HA GLY 84 14.111 16.813 -13.612 650 HA3 GLY 84 1HA GLY 84 14.889 16.853 -12.041 651 H MET 85 HN MET 85 12.792 14.165 -12.562 652 HA MET 85 HA MET 85 14.805 12.368 -13.628 653 HB2 MET 85 2HB MET 85 14.857 10.860 -11.674 654 HB3 MET 85 1HB MET 85 15.492 12.443 -11.262 655 HG2 MET 85 2HG MET 85 13.433 13.009 -10.087 656 HG3 MET 85 1HG MET 85 12.694 11.492 -10.597 657 HE1 MET 85 3HE MET 85 15.510 13.124 -8.323 658 HE2 MET 85 1HE MET 85 16.437 12.017 -9.344 659 HE3 MET 85 2HE MET 85 16.247 11.686 -7.621 660 H ILE 86 HN ILE 86 13.940 10.477 -14.432 661 HA ILE 86 HA ILE 86 11.027 10.269 -14.567 662 HB ILE 86 HB ILE 86 12.545 10.128 -16.636 663 HG12 ILE 86 2HG1 ILE 86 11.187 8.307 -17.728 664 HG13 ILE 86 1HG1 ILE 86 10.571 7.861 -16.140 665 HG21 ILE 86 1HG2 ILE 86 14.307 8.674 -15.757 666 HG22 ILE 86 2HG2 ILE 86 13.592 7.982 -17.212 667 HG23 ILE 86 3HG2 ILE 86 13.166 7.332 -15.626 668 HD11 ILE 86 3HD1 ILE 86 10.179 10.536 -17.479 669 HD12 ILE 86 1HD1 ILE 86 9.494 10.030 -15.932 670 HD13 ILE 86 2HD1 ILE 86 9.003 9.223 -17.422 671 H ARG 87 HN ARG 87 9.888 8.736 -13.535 672 HA ARG 87 HA ARG 87 10.915 6.278 -12.511 673 HB2 ARG 87 2HB ARG 87 10.628 6.794 -10.071 674 HB3 ARG 87 1HB ARG 87 11.943 7.697 -10.815 675 HG2 ARG 87 2HG ARG 87 10.348 9.666 -11.015 676 HG3 ARG 87 1HG ARG 87 9.204 8.746 -10.034 677 HD2 ARG 87 2HD ARG 87 11.979 9.681 -9.218 678 HD3 ARG 87 1HD ARG 87 10.439 10.302 -8.620 679 HE ARG 87 HE ARG 87 10.135 7.884 -7.785 680 HH11 ARG 87 1HH1 ARG 87 13.229 9.552 -7.834 681 HH12 ARG 87 2HH1 ARG 87 13.877 8.642 -6.510 682 HH21 ARG 87 1HH2 ARG 87 11.011 6.689 -6.051 683 HH22 ARG 87 2HH2 ARG 87 12.622 7.021 -5.507 684 H THR 88 HN THR 88 9.205 5.010 -11.420 685 HA THR 88 HA THR 88 6.594 5.729 -12.592 686 HB THR 88 HB THR 88 7.658 2.961 -11.854 687 HG1 THR 88 HG1 THR 88 7.918 2.767 -14.164 688 HG21 THR 88 3HG2 THR 88 5.841 2.110 -13.293 689 HG22 THR 88 1HG2 THR 88 5.282 3.758 -13.582 690 HG23 THR 88 2HG2 THR 88 5.180 3.060 -11.961 691 H GLU 89 HN GLU 89 4.780 5.669 -11.260 692 HA GLU 89 HA GLU 89 5.133 4.944 -8.391 693 HB2 GLU 89 2HB GLU 89 3.482 6.739 -7.851 694 HB3 GLU 89 1HB GLU 89 4.981 7.344 -8.547 695 HG2 GLU 89 2HG GLU 89 3.858 7.546 -10.749 696 HG3 GLU 89 1HG GLU 89 2.343 7.021 -10.003 697 H VAL 90 HN VAL 90 3.112 4.373 -7.267 698 HA VAL 90 HA VAL 90 1.239 2.919 -9.036 699 HB VAL 90 HB VAL 90 1.141 1.123 -7.184 700 HG11 VAL 90 1HG1 VAL 90 2.156 0.747 -9.379 701 HG12 VAL 90 2HG1 VAL 90 3.092 -0.057 -8.122 702 HG13 VAL 90 3HG1 VAL 90 3.681 1.454 -8.828 703 HG21 VAL 90 3HG2 VAL 90 2.301 2.366 -5.410 704 HG22 VAL 90 1HG2 VAL 90 3.763 2.451 -6.396 705 HG23 VAL 90 2HG2 VAL 90 3.189 0.892 -5.800 706 H ARG 91 HN ARG 91 -0.554 3.929 -8.889 707 HA ARG 91 HA ARG 91 -2.212 2.783 -7.049 708 HB2 ARG 91 2HB ARG 91 -1.664 4.595 -5.457 709 HB3 ARG 91 1HB ARG 91 -2.166 5.802 -6.626 710 HG2 ARG 91 2HG ARG 91 -3.855 5.473 -4.857 711 HG3 ARG 91 1HG ARG 91 -4.498 5.068 -6.443 712 HD2 ARG 91 2HD ARG 91 -3.854 2.612 -5.788 713 HD3 ARG 91 1HD ARG 91 -3.806 3.246 -4.148 714 HE ARG 91 HE ARG 91 -6.264 3.920 -5.413 715 HH11 ARG 91 1HH1 ARG 91 -4.631 1.210 -3.839 716 HH12 ARG 91 2HH1 ARG 91 -6.095 0.336 -3.561 717 HH21 ARG 91 1HH2 ARG 91 -8.185 2.714 -5.037 718 HH22 ARG 91 2HH2 ARG 91 -8.092 1.159 -4.269 719 H SER 92 HN SER 92 -4.537 3.392 -7.554 720 HA SER 92 HA SER 92 -4.893 3.692 -10.454 721 HB2 SER 92 2HB SER 92 -6.040 1.866 -9.130 722 HB3 SER 92 1HB SER 92 -6.971 3.109 -8.298 723 HG SER 92 HG SER 92 -6.972 2.699 -11.114 724 H ARG 93 HN ARG 93 -6.745 5.283 -11.160 725 HA ARG 93 HA ARG 93 -5.267 7.687 -10.444 726 HB2 ARG 93 2HB ARG 93 -7.148 7.139 -12.750 727 HB3 ARG 93 1HB ARG 93 -6.437 8.727 -12.454 728 HG2 ARG 93 2HG ARG 93 -4.148 7.464 -12.468 729 HG3 ARG 93 1HG ARG 93 -5.043 6.156 -13.248 730 HD2 ARG 93 2HD ARG 93 -4.774 9.007 -14.257 731 HD3 ARG 93 1HD ARG 93 -3.920 7.600 -14.893 732 HE ARG 93 HE ARG 93 -6.870 7.719 -14.969 733 HH11 ARG 93 1HH1 ARG 93 -3.816 7.487 -16.706 734 HH12 ARG 93 2HH1 ARG 93 -4.574 7.235 -18.244 735 HH21 ARG 93 1HH2 ARG 93 -7.847 7.409 -16.982 736 HH22 ARG 93 2HH2 ARG 93 -6.869 7.196 -18.396 737 H THR 94 HN THR 94 -8.362 6.535 -9.605 738 HA THR 94 HA THR 94 -9.542 9.078 -8.910 739 HB THR 94 HB THR 94 -11.113 7.677 -7.483 740 HG1 THR 94 HG1 THR 94 -10.674 5.636 -7.142 741 HG21 THR 94 3HG2 THR 94 -11.699 8.183 -9.830 742 HG22 THR 94 1HG2 THR 94 -12.253 6.570 -9.372 743 HG23 THR 94 2HG2 THR 94 -10.810 6.757 -10.367 744 H ALA 95 HN ALA 95 -7.623 6.655 -7.208 745 HA ALA 95 HA ALA 95 -7.253 8.454 -4.885 746 HB1 ALA 95 3HB ALA 95 -6.925 5.440 -5.061 747 HB2 ALA 95 1HB ALA 95 -8.325 6.293 -4.406 748 HB3 ALA 95 2HB ALA 95 -6.765 6.425 -3.602 749 H ASP 96 HN ASP 96 -5.694 8.255 -7.522 750 HA ASP 96 HA ASP 96 -3.439 6.947 -7.789 751 HB2 ASP 96 2HB ASP 96 -2.587 8.741 -9.224 752 HB3 ASP 96 1HB ASP 96 -4.312 8.487 -9.437 753 H SER 97 HN SER 97 -3.421 8.954 -5.022 754 HA SER 97 HA SER 97 -0.462 8.765 -4.921 755 HB2 SER 97 2HB SER 97 -0.613 10.889 -3.526 756 HB3 SER 97 1HB SER 97 -1.036 11.089 -5.227 757 HG SER 97 HG SER 97 -2.545 12.112 -3.890 758 H HIS 98 HN HIS 98 -2.492 6.810 -3.963 759 HA HIS 98 HA HIS 98 -2.510 7.143 -1.041 760 HB2 HIS 98 2HB HIS 98 -3.904 5.254 -2.936 761 HB3 HIS 98 1HB HIS 98 -3.788 4.840 -1.230 762 HD1 HIS 98 HD1 HIS 98 -6.370 5.028 -1.146 763 HD2 HIS 98 HD2 HIS 98 -4.412 8.601 -1.921 764 HE1 HIS 98 HE1 HIS 98 -8.069 6.841 -0.716 765 HE2 HIS 98 HE2 HIS 98 -6.839 8.994 -1.125 766 H LEU 99 HN LEU 99 -1.248 4.665 -3.353 767 HA LEU 99 HA LEU 99 -0.310 2.962 -1.248 768 HB2 LEU 99 2HB LEU 99 0.692 2.808 -4.101 769 HB3 LEU 99 1HB LEU 99 0.510 1.500 -2.939 770 HG LEU 99 HG LEU 99 -1.732 3.011 -4.295 771 HD11 LEU 99 1HD1 LEU 99 -0.973 0.124 -4.730 772 HD12 LEU 99 2HD1 LEU 99 -0.455 1.453 -5.771 773 HD13 LEU 99 3HD1 LEU 99 -2.175 1.093 -5.605 774 HD21 LEU 99 3HD2 LEU 99 -1.891 0.692 -2.378 775 HD22 LEU 99 1HD2 LEU 99 -3.242 1.377 -3.283 776 HD23 LEU 99 2HD2 LEU 99 -2.416 2.350 -2.069 777 H GLY 100 HN GLY 100 1.669 4.494 -3.805 778 HA2 GLY 100 2HA GLY 100 3.768 5.499 -2.327 779 HA3 GLY 100 1HA GLY 100 4.085 3.767 -2.469 780 H HIS 101 HN HIS 101 5.935 4.274 -3.667 781 HA HIS 101 HA HIS 101 5.537 4.951 -6.508 782 HB2 HIS 101 2HB HIS 101 7.776 6.135 -4.768 783 HB3 HIS 101 1HB HIS 101 7.571 6.385 -6.498 784 HD1 HIS 101 HD1 HIS 101 5.727 8.035 -7.247 785 HD2 HIS 101 HD2 HIS 101 6.105 7.681 -3.131 786 HE1 HIS 101 HE1 HIS 101 4.328 9.875 -6.292 787 HE2 HIS 101 HE2 HIS 101 4.709 9.750 -3.805 788 H VAL 102 HN VAL 102 7.404 4.037 -7.822 789 HA VAL 102 HA VAL 102 8.479 1.644 -6.446 790 HB VAL 102 HB VAL 102 7.983 0.186 -8.302 791 HG11 VAL 102 1HG1 VAL 102 5.473 1.758 -7.622 792 HG12 VAL 102 2HG1 VAL 102 6.213 0.514 -6.615 793 HG13 VAL 102 3HG1 VAL 102 5.548 0.087 -8.190 794 HG21 VAL 102 3HG2 VAL 102 6.680 0.882 -10.278 795 HG22 VAL 102 1HG2 VAL 102 8.220 1.736 -10.185 796 HG23 VAL 102 2HG2 VAL 102 6.726 2.553 -9.723 797 H PHE 103 HN PHE 103 10.391 0.873 -7.159 798 HA PHE 103 HA PHE 103 12.092 2.683 -8.672 799 HB2 PHE 103 2HB PHE 103 12.803 0.196 -7.060 800 HB3 PHE 103 1HB PHE 103 13.956 1.317 -7.780 801 HD1 PHE 103 HD1 PHE 103 13.992 3.740 -6.941 802 HD2 PHE 103 HD2 PHE 103 11.899 0.627 -4.877 803 HE1 PHE 103 HE1 PHE 103 13.964 5.104 -4.893 804 HE2 PHE 103 HE2 PHE 103 11.879 2.002 -2.841 805 HZ PHE 103 HZ PHE 103 12.901 4.242 -2.845 806 H ASN 104 HN ASN 104 11.951 2.382 -10.812 807 HA ASN 104 HA ASN 104 11.854 -0.141 -12.172 808 HB2 ASN 104 2HB ASN 104 11.202 2.106 -13.190 809 HB3 ASN 104 1HB ASN 104 12.907 2.534 -13.220 810 HD21 ASN 104 1HD2 ASN 104 10.419 0.510 -14.648 811 HD22 ASN 104 2HD2 ASN 104 11.334 0.033 -16.035 812 H ASP 105 HN ASP 105 14.153 1.327 -10.289 813 HA ASP 105 HA ASP 105 16.618 0.327 -11.489 814 HB2 ASP 105 2HB ASP 105 16.090 1.601 -8.754 815 HB3 ASP 105 1HB ASP 105 17.670 1.341 -9.488 816 H GLY 106 HN GLY 106 14.230 -1.362 -10.309 817 HA2 GLY 106 2HA GLY 106 15.750 -3.015 -8.379 818 HA3 GLY 106 1HA GLY 106 14.086 -2.540 -8.087 819 HA PRO 107 HA PRO 107 14.484 -6.281 -11.215 820 HB2 PRO 107 2HB PRO 107 15.282 -8.463 -9.764 821 HB3 PRO 107 1HB PRO 107 16.433 -7.371 -10.547 822 HG2 PRO 107 2HG PRO 107 15.535 -7.429 -7.667 823 HG3 PRO 107 1HG PRO 107 17.183 -7.284 -8.316 824 HD2 PRO 107 2HD PRO 107 15.760 -5.120 -7.463 825 HD3 PRO 107 1HD PRO 107 16.935 -5.016 -8.793 826 H GLY 108 HN GLY 108 12.500 -7.076 -11.574 827 HA2 GLY 108 2HA GLY 108 10.955 -8.513 -9.586 828 HA3 GLY 108 1HA GLY 108 10.264 -6.960 -10.051 829 HA PRO 109 HA PRO 109 8.897 -10.470 -13.104 830 HB2 PRO 109 2HB PRO 109 6.260 -9.524 -11.975 831 HB3 PRO 109 1HB PRO 109 6.758 -11.155 -12.456 832 HG2 PRO 109 2HG PRO 109 6.625 -10.522 -9.877 833 HG3 PRO 109 1HG PRO 109 7.983 -11.501 -10.475 834 HD2 PRO 109 2HD PRO 109 7.927 -8.570 -9.771 835 HD3 PRO 109 1HD PRO 109 9.185 -9.787 -9.448 836 H ASN 110 HN ASN 110 7.578 -7.276 -12.259 837 HA ASN 110 HA ASN 110 6.966 -6.646 -15.073 838 HB2 ASN 110 2HB ASN 110 5.313 -6.180 -13.159 839 HB3 ASN 110 1HB ASN 110 6.419 -4.931 -12.603 840 HD21 ASN 110 1HD2 ASN 110 4.827 -3.336 -12.896 841 HD22 ASN 110 2HD2 ASN 110 4.357 -2.776 -14.463 842 H GLY 111 HN GLY 111 9.720 -6.615 -13.354 843 HA2 GLY 111 2HA GLY 111 11.727 -5.536 -13.619 844 HA3 GLY 111 1HA GLY 111 10.971 -4.434 -14.756 845 H LEU 112 HN LEU 112 9.296 -4.626 -11.809 846 HA LEU 112 HA LEU 112 10.402 -2.032 -10.901 847 HB2 LEU 112 2HB LEU 112 7.547 -3.081 -10.751 848 HB3 LEU 112 1HB LEU 112 8.097 -1.572 -10.031 849 HG LEU 112 HG LEU 112 8.093 -2.186 -13.014 850 HD11 LEU 112 1HD1 LEU 112 6.274 -0.549 -13.161 851 HD12 LEU 112 2HD1 LEU 112 6.246 -0.415 -11.401 852 HD13 LEU 112 3HD1 LEU 112 5.834 -1.944 -12.178 853 HD21 LEU 112 3HD2 LEU 112 8.854 0.352 -11.521 854 HD22 LEU 112 1HD2 LEU 112 8.629 0.240 -13.274 855 HD23 LEU 112 2HD2 LEU 112 9.910 -0.676 -12.491 856 H ARG 113 HN ARG 113 10.242 -1.560 -8.637 857 HA ARG 113 HA ARG 113 9.735 -3.821 -6.780 858 HB2 ARG 113 2HB ARG 113 11.962 -1.765 -6.732 859 HB3 ARG 113 1HB ARG 113 11.352 -2.410 -5.210 860 HG2 ARG 113 2HG ARG 113 12.542 -4.051 -7.473 861 HG3 ARG 113 1HG ARG 113 13.357 -3.604 -5.971 862 HD2 ARG 113 2HD ARG 113 11.575 -4.845 -4.707 863 HD3 ARG 113 1HD ARG 113 10.924 -5.395 -6.255 864 HE ARG 113 HE ARG 113 13.253 -6.375 -6.598 865 HH11 ARG 113 1HH1 ARG 113 11.765 -6.115 -3.426 866 HH12 ARG 113 2HH1 ARG 113 12.657 -7.446 -2.770 867 HH21 ARG 113 1HH2 ARG 113 14.399 -8.128 -5.727 868 HH22 ARG 113 2HH2 ARG 113 14.145 -8.586 -4.077 869 H TYR 114 HN TYR 114 7.861 -3.431 -5.898 870 HA TYR 114 HA TYR 114 6.631 -0.847 -5.990 871 HB2 TYR 114 2HB TYR 114 5.597 -3.504 -4.929 872 HB3 TYR 114 1HB TYR 114 4.621 -2.048 -5.112 873 HD1 TYR 114 HD2 TYR 114 6.593 -4.583 -7.052 874 HD2 TYR 114 HD1 TYR 114 3.644 -1.497 -7.255 875 HE1 TYR 114 HE2 TYR 114 6.129 -5.178 -9.384 876 HE2 TYR 114 HE1 TYR 114 3.184 -2.096 -9.594 877 HH TYR 114 HH TYR 114 4.221 -4.966 -10.990 878 H CYS 115 HN CYS 115 7.520 0.574 -4.593 879 HA CYS 115 HA CYS 115 8.019 -0.220 -1.812 880 HB2 CYS 115 2HB CYS 115 9.852 0.996 -2.893 881 HB3 CYS 115 1HB CYS 115 8.777 2.334 -3.282 882 HG CYS 115 HG CYS 115 8.273 2.574 -0.348 883 H ILE 116 HN ILE 116 6.080 -0.336 -0.916 884 HA ILE 116 HA ILE 116 4.239 1.959 -1.005 885 HB ILE 116 HB ILE 116 3.680 -0.794 0.202 886 HG12 ILE 116 2HG1 ILE 116 4.271 -1.233 -2.130 887 HG13 ILE 116 1HG1 ILE 116 2.532 -1.410 -1.942 888 HG21 ILE 116 1HG2 ILE 116 2.150 0.995 0.885 889 HG22 ILE 116 2HG2 ILE 116 1.309 -0.177 -0.130 890 HG23 ILE 116 3HG2 ILE 116 1.803 1.381 -0.804 891 HD11 ILE 116 3HD1 ILE 116 3.025 -0.326 -4.002 892 HD12 ILE 116 1HD1 ILE 116 3.998 0.903 -3.191 893 HD13 ILE 116 2HD1 ILE 116 2.250 0.837 -2.928 894 H ASN 117 HN ASN 117 3.933 3.134 0.892 895 HA ASN 117 HA ASN 117 6.026 2.827 2.854 896 HB2 ASN 117 2HB ASN 117 5.311 4.982 3.688 897 HB3 ASN 117 1HB ASN 117 5.385 5.052 1.932 898 HD21 ASN 117 1HD2 ASN 117 3.369 4.958 0.759 899 HD22 ASN 117 2HD2 ASN 117 1.920 5.534 1.499 900 H SER 118 HN SER 118 5.840 1.964 4.778 901 HA SER 118 HA SER 118 3.654 0.257 5.372 902 HB2 SER 118 2HB SER 118 5.261 0.032 7.572 903 HB3 SER 118 1HB SER 118 5.595 -0.765 6.034 904 HG SER 118 HG SER 118 7.442 0.294 6.476 905 H ALA 119 HN ALA 119 4.271 3.517 6.245 906 HA ALA 119 HA ALA 119 2.642 3.717 8.587 907 HB1 ALA 119 3HB ALA 119 2.661 6.135 8.141 908 HB2 ALA 119 1HB ALA 119 3.317 5.843 6.527 909 HB3 ALA 119 2HB ALA 119 4.278 5.453 7.954 910 H ALA 120 HN ALA 120 1.967 3.745 5.100 911 HA ALA 120 HA ALA 120 -0.775 4.634 5.350 912 HB1 ALA 120 3HB ALA 120 0.467 4.997 3.242 913 HB2 ALA 120 1HB ALA 120 -0.993 4.039 2.966 914 HB3 ALA 120 2HB ALA 120 0.588 3.251 3.006 915 H LEU 121 HN LEU 121 0.910 1.691 5.740 916 HA LEU 121 HA LEU 121 -1.245 -0.058 4.893 917 HB2 LEU 121 2HB LEU 121 1.498 -0.714 6.026 918 HB3 LEU 121 1HB LEU 121 0.369 -1.869 5.315 919 HG LEU 121 HG LEU 121 1.768 0.411 3.868 920 HD11 LEU 121 1HD1 LEU 121 3.256 -1.431 4.320 921 HD12 LEU 121 2HD1 LEU 121 2.897 -1.334 2.599 922 HD13 LEU 121 3HD1 LEU 121 2.117 -2.575 3.594 923 HD21 LEU 121 3HD2 LEU 121 -0.448 0.194 2.956 924 HD22 LEU 121 1HD2 LEU 121 -0.272 -1.558 2.799 925 HD23 LEU 121 2HD2 LEU 121 0.711 -0.472 1.815 926 H ARG 122 HN ARG 122 -2.272 -1.521 6.114 927 HA ARG 122 HA ARG 122 -1.886 -1.615 9.032 928 HB2 ARG 122 2HB ARG 122 -3.753 -0.025 8.638 929 HB3 ARG 122 1HB ARG 122 -4.611 -1.244 7.711 930 HG2 ARG 122 2HG ARG 122 -5.566 -1.101 9.934 931 HG3 ARG 122 1HG ARG 122 -4.765 -2.661 9.750 932 HD2 ARG 122 2HD ARG 122 -2.799 -1.771 11.001 933 HD3 ARG 122 1HD ARG 122 -3.646 -0.235 11.211 934 HE ARG 122 HE ARG 122 -4.265 -2.797 12.511 935 HH11 ARG 122 1HH1 ARG 122 -5.108 0.624 12.162 936 HH12 ARG 122 2HH1 ARG 122 -6.040 0.652 13.620 937 HH21 ARG 122 1HH2 ARG 122 -5.523 -2.707 14.392 938 HH22 ARG 122 2HH2 ARG 122 -6.267 -1.220 14.875 939 H PHE 123 HN PHE 123 -1.695 -3.632 9.608 940 HA PHE 123 HA PHE 123 -2.565 -5.911 8.136 941 HB2 PHE 123 2HB PHE 123 -1.875 -7.180 10.222 942 HB3 PHE 123 1HB PHE 123 -0.604 -6.178 9.540 943 HD1 PHE 123 HD1 PHE 123 -0.089 -3.913 10.680 944 HD2 PHE 123 HD2 PHE 123 -2.544 -6.895 12.522 945 HE1 PHE 123 HE1 PHE 123 0.239 -2.839 12.871 946 HE2 PHE 123 HE2 PHE 123 -2.218 -5.807 14.703 947 HZ PHE 123 HZ PHE 123 -0.828 -3.783 14.879 948 H VAL 124 HN VAL 124 -4.680 -6.332 7.927 949 HA VAL 124 HA VAL 124 -6.561 -5.761 10.145 950 HB VAL 124 HB VAL 124 -7.321 -6.043 7.200 951 HG11 VAL 124 1HG1 VAL 124 -9.467 -5.001 7.934 952 HG12 VAL 124 2HG1 VAL 124 -8.880 -4.988 9.597 953 HG13 VAL 124 3HG1 VAL 124 -9.158 -6.525 8.775 954 HG21 VAL 124 3HG2 VAL 124 -7.519 -3.588 7.093 955 HG22 VAL 124 1HG2 VAL 124 -5.858 -4.066 7.459 956 HG23 VAL 124 2HG2 VAL 124 -6.903 -3.453 8.744 957 HA PRO 125 HA PRO 125 -6.429 -10.346 10.406 958 HB2 PRO 125 2HB PRO 125 -8.727 -9.666 12.260 959 HB3 PRO 125 1HB PRO 125 -7.374 -10.782 12.506 960 HG2 PRO 125 2HG PRO 125 -7.362 -8.400 13.687 961 HG3 PRO 125 1HG PRO 125 -5.863 -9.057 12.995 962 HD2 PRO 125 2HD PRO 125 -7.680 -6.914 11.906 963 HD3 PRO 125 1HD PRO 125 -5.904 -7.031 11.854 964 H LYS 126 HN LYS 126 -7.627 -11.910 9.420 965 HA LYS 126 HA LYS 126 -9.697 -11.654 7.651 966 HB2 LYS 126 2HB LYS 126 -8.311 -13.706 7.998 967 HB3 LYS 126 1HB LYS 126 -9.160 -14.018 9.508 968 HG2 LYS 126 2HG LYS 126 -11.278 -14.301 8.206 969 HG3 LYS 126 1HG LYS 126 -10.346 -14.104 6.713 970 HD2 LYS 126 2HD LYS 126 -9.018 -16.109 7.254 971 HD3 LYS 126 1HD LYS 126 -9.862 -16.276 8.798 972 HE2 LYS 126 2HE LYS 126 -12.000 -16.595 7.538 973 HE3 LYS 126 1HE LYS 126 -11.082 -16.558 6.030 974 HZ1 LYS 126 3HZ LYS 126 -9.865 -18.499 6.771 975 HZ2 LYS 126 1HZ LYS 126 -11.528 -18.807 6.770 976 HZ3 LYS 126 2HZ LYS 126 -10.725 -18.519 8.228 977 H HIS 127 HN HIS 127 -9.918 -11.686 11.133 978 HA HIS 127 HA HIS 127 -12.739 -12.202 11.414 979 HB2 HIS 127 2HB HIS 127 -10.733 -11.040 13.402 980 HB3 HIS 127 1HB HIS 127 -12.350 -11.605 13.810 981 HD1 HIS 127 HD1 HIS 127 -10.115 -12.826 15.332 982 HD2 HIS 127 HD2 HIS 127 -11.373 -14.398 11.696 983 HE1 HIS 127 HE1 HIS 127 -9.391 -15.230 15.359 984 HE2 HIS 127 HE2 HIS 127 -9.987 -16.098 13.066 985 H LYS 128 HN LYS 128 -10.669 -9.376 11.073 986 HA LYS 128 HA LYS 128 -12.747 -7.473 11.864 987 HB2 LYS 128 2HB LYS 128 -9.781 -7.310 11.412 988 HB3 LYS 128 1HB LYS 128 -10.692 -5.860 11.012 989 HG2 LYS 128 2HG LYS 128 -11.662 -5.899 13.327 990 HG3 LYS 128 1HG LYS 128 -10.565 -7.234 13.705 991 HD2 LYS 128 2HD LYS 128 -8.618 -5.800 13.225 992 HD3 LYS 128 1HD LYS 128 -9.687 -4.474 12.755 993 HE2 LYS 128 2HE LYS 128 -8.816 -4.125 15.019 994 HE3 LYS 128 1HE LYS 128 -10.562 -4.363 15.064 995 HZ1 LYS 128 3HZ LYS 128 -10.235 -6.615 15.793 996 HZ2 LYS 128 1HZ LYS 128 -9.371 -5.577 16.811 997 HZ3 LYS 128 2HZ LYS 128 -8.560 -6.478 15.632 998 H LEU 129 HN LEU 129 -11.275 -8.775 8.979 999 HA LEU 129 HA LEU 129 -11.986 -6.863 7.074 1000 HB2 LEU 129 2HB LEU 129 -11.736 -9.871 6.882 1001 HB3 LEU 129 1HB LEU 129 -11.966 -8.841 5.476 1002 HG LEU 129 HG LEU 129 -9.572 -8.718 7.342 1003 HD11 LEU 129 1HD1 LEU 129 -9.627 -10.801 6.071 1004 HD12 LEU 129 2HD1 LEU 129 -8.340 -9.749 5.481 1005 HD13 LEU 129 3HD1 LEU 129 -9.846 -9.904 4.563 1006 HD21 LEU 129 3HD2 LEU 129 -10.118 -7.290 4.724 1007 HD22 LEU 129 1HD2 LEU 129 -8.619 -7.216 5.666 1008 HD23 LEU 129 2HD2 LEU 129 -10.114 -6.561 6.339 1009 H LYS 130 HN LYS 130 -13.817 -9.741 8.145 1010 HA LYS 130 HA LYS 130 -16.087 -9.241 6.473 1011 HB2 LYS 130 2HB LYS 130 -17.178 -11.027 7.838 1012 HB3 LYS 130 1HB LYS 130 -15.626 -11.506 7.161 1013 HG2 LYS 130 2HG LYS 130 -14.543 -11.197 9.346 1014 HG3 LYS 130 1HG LYS 130 -16.066 -10.626 10.035 1015 HD2 LYS 130 2HD LYS 130 -15.648 -12.979 10.625 1016 HD3 LYS 130 1HD LYS 130 -17.099 -12.822 9.632 1017 HE2 LYS 130 2HE LYS 130 -15.760 -13.507 7.637 1018 HE3 LYS 130 1HE LYS 130 -14.354 -13.731 8.682 1019 HZ1 LYS 130 3HZ LYS 130 -15.667 -15.765 8.140 1020 HZ2 LYS 130 1HZ LYS 130 -16.915 -15.145 9.093 1021 HZ3 LYS 130 2HZ LYS 130 -15.415 -15.492 9.792 1022 H GLU 131 HN GLU 131 -15.206 -8.483 9.804 1023 HA GLU 131 HA GLU 131 -17.581 -7.249 10.674 1024 HB2 GLU 131 2HB GLU 131 -15.792 -7.753 12.256 1025 HB3 GLU 131 1HB GLU 131 -14.662 -6.731 11.384 1026 HG2 GLU 131 2HG GLU 131 -15.285 -5.603 13.401 1027 HG3 GLU 131 1HG GLU 131 -15.988 -4.734 12.046 1028 H GLU 132 HN GLU 132 -14.909 -6.107 8.698 1029 HA GLU 132 HA GLU 132 -15.795 -3.363 8.545 1030 HB2 GLU 132 2HB GLU 132 -13.358 -4.263 8.433 1031 HB3 GLU 132 1HB GLU 132 -13.713 -4.716 6.775 1032 HG2 GLU 132 2HG GLU 132 -12.510 -2.593 6.900 1033 HG3 GLU 132 1HG GLU 132 -14.109 -2.380 6.189 1034 H GLY 133 HN GLY 133 -16.937 -6.239 7.166 1035 HA2 GLY 133 2HA GLY 133 -18.638 -6.551 5.730 1036 HA3 GLY 133 1HA GLY 133 -18.625 -4.834 5.354 1037 H TYR 134 HN TYR 134 -15.891 -7.157 5.034 1038 HA TYR 134 HA TYR 134 -16.052 -6.779 2.096 1039 HB2 TYR 134 2HB TYR 134 -13.645 -6.254 3.881 1040 HB3 TYR 134 1HB TYR 134 -13.533 -6.431 2.136 1041 HD1 TYR 134 HD2 TYR 134 -15.561 -4.915 0.926 1042 HD2 TYR 134 HD1 TYR 134 -13.490 -3.983 4.538 1043 HE1 TYR 134 HE2 TYR 134 -16.067 -2.539 0.594 1044 HE2 TYR 134 HE1 TYR 134 -13.990 -1.599 4.209 1045 HH TYR 134 HH TYR 134 -14.568 -0.058 2.397 1046 H GLU 135 HN GLU 135 -17.042 -8.959 2.798 1047 HA GLU 135 HA GLU 135 -15.538 -11.292 3.026 1048 HB2 GLU 135 2HB GLU 135 -18.096 -10.673 1.509 1049 HB3 GLU 135 1HB GLU 135 -17.427 -12.297 1.526 1050 HG2 GLU 135 2HG GLU 135 -18.219 -10.748 4.006 1051 HG3 GLU 135 1HG GLU 135 -19.241 -11.940 3.202 1052 H SER 136 HN SER 136 -15.562 -9.073 0.315 1053 HA SER 136 HA SER 136 -14.747 -10.970 -1.706 1054 HB2 SER 136 2HB SER 136 -16.051 -8.920 -2.253 1055 HB3 SER 136 1HB SER 136 -14.705 -7.923 -1.712 1056 HG SER 136 HG SER 136 -13.455 -8.817 -3.397 1057 H TYR 137 HN TYR 137 -13.217 -9.314 0.842 1058 HA TYR 137 HA TYR 137 -10.531 -9.154 -0.267 1059 HB2 TYR 137 2HB TYR 137 -11.720 -8.607 2.492 1060 HB3 TYR 137 1HB TYR 137 -9.997 -8.526 2.178 1061 HD1 TYR 137 HD1 TYR 137 -12.291 -7.300 -0.435 1062 HD2 TYR 137 HD2 TYR 137 -10.006 -6.200 3.009 1063 HE1 TYR 137 HE1 TYR 137 -12.554 -4.938 -1.017 1064 HE2 TYR 137 HE2 TYR 137 -10.261 -3.824 2.421 1065 HH TYR 137 HH TYR 137 -10.735 -2.443 0.450 1066 H LEU 138 HN LEU 138 -12.517 -11.184 1.762 1067 HA LEU 138 HA LEU 138 -10.487 -12.972 2.701 1068 HB2 LEU 138 2HB LEU 138 -13.517 -13.216 2.581 1069 HB3 LEU 138 1HB LEU 138 -12.503 -14.510 3.195 1070 HG LEU 138 HG LEU 138 -11.694 -13.065 5.020 1071 HD11 LEU 138 1HD1 LEU 138 -12.731 -10.863 5.434 1072 HD12 LEU 138 2HD1 LEU 138 -13.506 -10.946 3.852 1073 HD13 LEU 138 3HD1 LEU 138 -11.741 -10.892 3.973 1074 HD21 LEU 138 3HD2 LEU 138 -14.723 -13.035 4.871 1075 HD22 LEU 138 1HD2 LEU 138 -13.736 -12.894 6.327 1076 HD23 LEU 138 2HD2 LEU 138 -13.731 -14.401 5.407 1077 H HIS 139 HN HIS 139 -12.700 -12.893 -0.050 1078 HA HIS 139 HA HIS 139 -12.266 -15.465 -1.107 1079 HB2 HIS 139 2HB HIS 139 -14.121 -13.906 -1.767 1080 HB3 HIS 139 1HB HIS 139 -12.949 -12.915 -2.625 1081 HD1 HIS 139 HD1 HIS 139 -14.537 -16.349 -2.756 1082 HD2 HIS 139 HD2 HIS 139 -12.411 -13.776 -5.236 1083 HE1 HIS 139 HE1 HIS 139 -14.588 -17.414 -5.031 1084 HE2 HIS 139 HE2 HIS 139 -13.245 -15.874 -6.506 1085 H LEU 140 HN LEU 140 -10.108 -12.802 -0.985 1086 HA LEU 140 HA LEU 140 -8.609 -13.298 -3.393 1087 HB2 LEU 140 2HB LEU 140 -7.886 -11.700 -0.903 1088 HB3 LEU 140 1HB LEU 140 -6.972 -11.680 -2.409 1089 HG LEU 140 HG LEU 140 -9.823 -10.677 -2.025 1090 HD11 LEU 140 1HD1 LEU 140 -7.265 -9.146 -2.569 1091 HD12 LEU 140 2HD1 LEU 140 -8.154 -9.205 -1.043 1092 HD13 LEU 140 3HD1 LEU 140 -8.890 -8.463 -2.461 1093 HD21 LEU 140 3HD2 LEU 140 -9.722 -9.931 -4.361 1094 HD22 LEU 140 1HD2 LEU 140 -9.569 -11.684 -4.244 1095 HD23 LEU 140 2HD2 LEU 140 -8.143 -10.692 -4.554 1096 H PHE 141 HN PHE 141 -8.068 -14.021 0.072 1097 HA PHE 141 HA PHE 141 -5.740 -15.724 -0.672 1098 HB2 PHE 141 2HB PHE 141 -4.881 -15.377 1.591 1099 HB3 PHE 141 1HB PHE 141 -5.170 -13.834 0.812 1100 HD1 PHE 141 HD2 PHE 141 -7.243 -12.482 1.512 1101 HD2 PHE 141 HD1 PHE 141 -5.907 -15.908 3.709 1102 HE1 PHE 141 HE2 PHE 141 -8.562 -11.762 3.456 1103 HE2 PHE 141 HE1 PHE 141 -7.237 -15.175 5.646 1104 HZ PHE 141 HZ PHE 141 -8.566 -13.105 5.523 1105 H ASN 142 HN ASN 142 -8.664 -15.654 1.280 1106 HA ASN 142 HA ASN 142 -8.494 -18.519 1.941 1107 HB2 ASN 142 2HB ASN 142 -9.019 -16.996 3.807 1108 HB3 ASN 142 1HB ASN 142 -10.355 -16.282 2.914 1109 HD21 ASN 142 1HD2 ASN 142 -9.240 -19.165 4.597 1110 HD22 ASN 142 2HD2 ASN 142 -10.810 -19.843 4.846 1111 H LYS 143 HN LYS 143 -10.337 -19.908 1.505 1112 HA LYS 143 HA LYS 143 -12.435 -18.956 -0.299 1113 HB2 LYS 143 2HB LYS 143 -12.251 -20.926 -1.790 1114 HB3 LYS 143 1HB LYS 143 -10.834 -19.899 -1.887 1115 HG2 LYS 143 2HG LYS 143 -10.937 -22.486 -0.298 1116 HG3 LYS 143 1HG LYS 143 -10.399 -22.390 -1.973 1117 HD2 LYS 143 2HD LYS 143 -9.088 -21.018 0.411 1118 HD3 LYS 143 1HD LYS 143 -8.488 -22.448 -0.429 1119 HE2 LYS 143 2HE LYS 143 -8.118 -21.146 -2.466 1120 HE3 LYS 143 1HE LYS 143 -8.818 -19.712 -1.716 1121 HZ1 LYS 143 3HZ LYS 143 -6.354 -21.099 -0.816 1122 HZ2 LYS 143 1HZ LYS 143 -7.010 -19.694 -0.135 1123 HZ3 LYS 143 2HZ LYS 143 -6.410 -19.665 -1.713 1124 H LEU 144 HN LEU 144 -14.372 -19.697 0.300 1125 HA LEU 144 HA LEU 144 -14.570 -22.024 2.111 1126 HB2 LEU 144 2HB LEU 144 -14.602 -19.709 3.292 1127 HB3 LEU 144 1HB LEU 144 -16.164 -19.462 2.545 1128 HG LEU 144 HG LEU 144 -16.220 -20.218 4.958 1129 HD11 LEU 144 1HD1 LEU 144 -17.649 -22.081 3.051 1130 HD12 LEU 144 2HD1 LEU 144 -18.211 -20.495 3.582 1131 HD13 LEU 144 3HD1 LEU 144 -18.053 -21.805 4.748 1132 HD21 LEU 144 3HD2 LEU 144 -15.249 -22.872 3.865 1133 HD22 LEU 144 1HD2 LEU 144 -15.787 -22.556 5.517 1134 HD23 LEU 144 2HD2 LEU 144 -14.336 -21.774 4.902 1135 H GLU 145 HN GLU 145 -15.491 -23.382 0.755 1136 HA GLU 145 HA GLU 145 -18.127 -22.787 -0.407 1137 HB2 GLU 145 2HB GLU 145 -17.565 -23.895 -2.529 1138 HB3 GLU 145 1HB GLU 145 -16.485 -22.538 -2.257 1139 HG2 GLU 145 2HG GLU 145 -15.773 -25.463 -1.811 1140 HG3 GLU 145 1HG GLU 145 -15.316 -24.505 -3.221 1141 H HIS 146 HN HIS 146 -15.880 -25.007 1.067 1142 HA HIS 146 HA HIS 146 -17.605 -27.330 0.863 1143 HB2 HIS 146 2HB HIS 146 -15.118 -26.874 2.575 1144 HB3 HIS 146 1HB HIS 146 -15.962 -28.408 2.425 1145 HD1 HIS 146 HD1 HIS 146 -16.285 -28.764 -0.529 1146 HD2 HIS 146 HD2 HIS 146 -12.835 -27.200 1.181 1147 HE1 HIS 146 HE1 HIS 146 -14.461 -29.145 -2.215 1148 HE2 HIS 146 HE2 HIS 146 -12.362 -28.384 -1.064 1149 H HIS 147 HN HIS 147 -19.457 -26.069 1.658 1150 HA HIS 147 HA HIS 147 -20.263 -26.814 4.241 1151 HB2 HIS 147 2HB HIS 147 -19.100 -24.084 4.078 1152 HB3 HIS 147 1HB HIS 147 -20.750 -24.058 4.677 1153 HD1 HIS 147 HD1 HIS 147 -17.289 -24.923 5.655 1154 HD2 HIS 147 HD2 HIS 147 -21.128 -25.465 7.161 1155 HE1 HIS 147 HE1 HIS 147 -16.979 -25.639 8.044 1156 HE2 HIS 147 HE2 HIS 147 -19.311 -25.802 8.972 Start of MODEL 18 1 H1 MET 1 1H MET 1 -19.065 13.744 17.681 2 H2 MET 1 2H MET 1 -17.677 13.061 17.002 3 H3 MET 1 3H MET 1 -18.513 12.241 18.217 4 HA MET 1 HA MET 1 -20.380 11.898 16.841 5 HB2 MET 1 2HB MET 1 -20.295 14.006 15.570 6 HB3 MET 1 1HB MET 1 -18.831 13.491 14.743 7 HG2 MET 1 2HG MET 1 -20.894 13.315 13.353 8 HG3 MET 1 1HG MET 1 -20.053 11.770 13.550 9 HE1 MET 1 3HE MET 1 -23.081 11.906 12.493 10 HE2 MET 1 1HE MET 1 -23.845 10.637 13.462 11 HE3 MET 1 2HE MET 1 -22.249 10.375 12.768 12 H ALA 2 HN ALA 2 -20.530 10.010 15.623 13 HA ALA 2 HA ALA 2 -18.464 8.148 15.429 14 HB1 ALA 2 3HB ALA 2 -19.950 6.925 13.855 15 HB2 ALA 2 1HB ALA 2 -20.971 8.362 13.693 16 HB3 ALA 2 2HB ALA 2 -20.849 7.528 15.245 17 H TYR 3 HN TYR 3 -16.760 7.948 14.035 18 HA TYR 3 HA TYR 3 -15.901 10.179 12.616 19 HB2 TYR 3 2HB TYR 3 -14.888 7.321 12.407 20 HB3 TYR 3 1HB TYR 3 -14.042 8.732 11.771 21 HD1 TYR 3 HD2 TYR 3 -14.044 10.748 13.766 22 HD2 TYR 3 HD1 TYR 3 -13.860 6.509 14.396 23 HE1 TYR 3 HE2 TYR 3 -12.989 11.120 15.947 24 HE2 TYR 3 HE1 TYR 3 -12.819 6.900 16.593 25 HH TYR 3 HH TYR 3 -11.505 8.666 17.724 26 H ASN 4 HN ASN 4 -16.980 10.966 10.980 27 HA ASN 4 HA ASN 4 -18.075 9.555 8.739 28 HB2 ASN 4 2HB ASN 4 -18.702 11.894 9.577 29 HB3 ASN 4 1HB ASN 4 -17.190 12.479 8.908 30 HD21 ASN 4 1HD2 ASN 4 -19.965 13.216 8.302 31 HD22 ASN 4 2HD2 ASN 4 -20.141 13.003 6.596 32 H LYS 5 HN LYS 5 -17.166 9.504 6.588 33 HA LYS 5 HA LYS 5 -14.447 8.938 6.249 34 HB2 LYS 5 2HB LYS 5 -16.457 9.959 4.204 35 HB3 LYS 5 1HB LYS 5 -14.901 9.243 3.800 36 HG2 LYS 5 2HG LYS 5 -15.587 7.091 4.656 37 HG3 LYS 5 1HG LYS 5 -17.082 7.771 5.307 38 HD2 LYS 5 2HD LYS 5 -16.352 7.586 2.354 39 HD3 LYS 5 1HD LYS 5 -17.487 6.534 3.204 40 HE2 LYS 5 2HE LYS 5 -18.983 8.431 3.623 41 HE3 LYS 5 1HE LYS 5 -17.818 9.541 2.903 42 HZ1 LYS 5 3HZ LYS 5 -19.552 9.045 1.367 43 HZ2 LYS 5 1HZ LYS 5 -19.272 7.380 1.497 44 HZ3 LYS 5 2HZ LYS 5 -18.103 8.386 0.800 45 H GLU 6 HN GLU 6 -16.214 12.002 6.017 46 HA GLU 6 HA GLU 6 -14.208 13.658 4.944 47 HB2 GLU 6 2HB GLU 6 -16.414 14.405 6.919 48 HB3 GLU 6 1HB GLU 6 -15.536 15.525 5.876 49 HG2 GLU 6 2HG GLU 6 -16.493 14.400 3.888 50 HG3 GLU 6 1HG GLU 6 -17.382 13.304 4.947 51 H GLU 7 HN GLU 7 -15.141 13.055 8.326 52 HA GLU 7 HA GLU 7 -13.136 14.513 9.654 53 HB2 GLU 7 2HB GLU 7 -14.572 12.010 10.662 54 HB3 GLU 7 1HB GLU 7 -13.711 13.187 11.659 55 HG2 GLU 7 2HG GLU 7 -15.358 14.925 10.892 56 HG3 GLU 7 1HG GLU 7 -16.263 13.647 10.084 57 H LYS 8 HN LYS 8 -13.195 11.195 8.475 58 HA LYS 8 HA LYS 8 -10.870 10.237 9.766 59 HB2 LYS 8 2HB LYS 8 -12.658 8.744 8.875 60 HB3 LYS 8 1HB LYS 8 -12.273 9.241 7.236 61 HG2 LYS 8 2HG LYS 8 -11.335 7.049 7.673 62 HG3 LYS 8 1HG LYS 8 -10.027 8.215 7.456 63 HD2 LYS 8 2HD LYS 8 -9.500 6.702 9.304 64 HD3 LYS 8 1HD LYS 8 -9.746 8.334 9.926 65 HE2 LYS 8 2HE LYS 8 -10.804 6.669 11.394 66 HE3 LYS 8 1HE LYS 8 -12.030 7.701 10.660 67 HZ1 LYS 8 3HZ LYS 8 -12.657 5.365 10.638 68 HZ2 LYS 8 1HZ LYS 8 -11.289 4.981 9.727 69 HZ3 LYS 8 2HZ LYS 8 -12.505 5.954 9.066 70 H ILE 9 HN ILE 9 -11.481 11.134 6.371 71 HA ILE 9 HA ILE 9 -8.900 10.837 5.389 72 HB ILE 9 HB ILE 9 -11.209 12.517 4.327 73 HG12 ILE 9 2HG1 ILE 9 -11.639 10.095 4.322 74 HG13 ILE 9 1HG1 ILE 9 -11.428 10.652 2.666 75 HG21 ILE 9 1HG2 ILE 9 -10.023 12.642 2.144 76 HG22 ILE 9 2HG2 ILE 9 -8.591 11.927 2.887 77 HG23 ILE 9 3HG2 ILE 9 -9.159 13.512 3.415 78 HD11 ILE 9 3HD1 ILE 9 -10.328 8.548 3.017 79 HD12 ILE 9 1HD1 ILE 9 -9.382 9.219 4.343 80 HD13 ILE 9 2HD1 ILE 9 -9.132 9.798 2.694 81 H LYS 10 HN LYS 10 -10.404 13.706 6.848 82 HA LYS 10 HA LYS 10 -8.383 15.516 6.028 83 HB2 LYS 10 2HB LYS 10 -10.590 16.351 6.697 84 HB3 LYS 10 1HB LYS 10 -10.362 15.744 8.334 85 HG2 LYS 10 2HG LYS 10 -9.993 18.182 8.212 86 HG3 LYS 10 1HG LYS 10 -8.531 17.322 8.711 87 HD2 LYS 10 2HD LYS 10 -7.785 17.445 6.252 88 HD3 LYS 10 1HD LYS 10 -9.128 18.566 5.996 89 HE2 LYS 10 2HE LYS 10 -6.843 18.966 7.960 90 HE3 LYS 10 1HE LYS 10 -6.982 19.734 6.379 91 HZ1 LYS 10 3HZ LYS 10 -7.698 21.244 8.064 92 HZ2 LYS 10 1HZ LYS 10 -8.789 20.116 8.694 93 HZ3 LYS 10 2HZ LYS 10 -9.047 20.773 7.164 94 H SER 11 HN SER 11 -8.976 13.850 9.117 95 HA SER 11 HA SER 11 -6.661 14.805 10.465 96 HB2 SER 11 2HB SER 11 -8.287 12.284 11.023 97 HB3 SER 11 1HB SER 11 -7.241 13.131 12.163 98 HG SER 11 HG SER 11 -9.814 13.609 11.530 99 H LEU 12 HN LEU 12 -7.411 11.513 9.243 100 HA LEU 12 HA LEU 12 -5.084 10.198 9.567 101 HB2 LEU 12 2HB LEU 12 -7.187 9.178 8.968 102 HB3 LEU 12 1HB LEU 12 -7.215 10.027 7.434 103 HG LEU 12 HG LEU 12 -5.304 8.638 6.648 104 HD11 LEU 12 1HD1 LEU 12 -4.655 6.621 7.880 105 HD12 LEU 12 2HD1 LEU 12 -5.639 7.135 9.254 106 HD13 LEU 12 3HD1 LEU 12 -4.242 8.095 8.753 107 HD21 LEU 12 3HD2 LEU 12 -7.605 8.052 6.089 108 HD22 LEU 12 1HD2 LEU 12 -7.740 7.082 7.559 109 HD23 LEU 12 2HD2 LEU 12 -6.619 6.608 6.279 110 H ASN 13 HN ASN 13 -5.918 12.175 6.699 111 HA ASN 13 HA ASN 13 -3.642 11.142 5.197 112 HB2 ASN 13 2HB ASN 13 -5.720 13.217 4.407 113 HB3 ASN 13 1HB ASN 13 -4.427 12.659 3.351 114 HD21 ASN 13 1HD2 ASN 13 -6.311 10.533 5.532 115 HD22 ASN 13 2HD2 ASN 13 -7.076 9.667 4.257 116 H ARG 14 HN ARG 14 -3.788 13.505 7.563 117 HA ARG 14 HA ARG 14 -1.707 15.193 6.770 118 HB2 ARG 14 2HB ARG 14 -2.895 15.374 8.943 119 HB3 ARG 14 1HB ARG 14 -2.168 13.867 9.484 120 HG2 ARG 14 2HG ARG 14 -1.074 15.834 10.494 121 HG3 ARG 14 1HG ARG 14 0.052 14.901 9.504 122 HD2 ARG 14 2HD ARG 14 0.239 17.407 9.236 123 HD3 ARG 14 1HD ARG 14 -0.029 16.522 7.730 124 HE ARG 14 HE ARG 14 -2.458 17.505 8.975 125 HH11 ARG 14 1HH1 ARG 14 0.113 18.328 6.724 126 HH12 ARG 14 2HH1 ARG 14 -0.856 19.462 5.851 127 HH21 ARG 14 1HH2 ARG 14 -3.717 18.973 7.814 128 HH22 ARG 14 2HH2 ARG 14 -3.042 19.838 6.471 129 H MET 15 HN MET 15 -1.659 11.860 7.966 130 HA MET 15 HA MET 15 1.225 11.569 7.896 131 HB2 MET 15 2HB MET 15 -0.950 9.494 8.414 132 HB3 MET 15 1HB MET 15 0.774 9.277 8.705 133 HG2 MET 15 2HG MET 15 -0.277 9.685 10.805 134 HG3 MET 15 1HG MET 15 0.641 11.136 10.395 135 HE1 MET 15 3HE MET 15 -1.440 11.355 12.703 136 HE2 MET 15 1HE MET 15 -2.354 12.798 12.246 137 HE3 MET 15 2HE MET 15 -0.602 12.765 12.046 138 H GLN 16 HN GLN 16 -1.570 10.060 6.270 139 HA GLN 16 HA GLN 16 -0.323 8.354 4.487 140 HB2 GLN 16 2HB GLN 16 -2.889 9.930 4.011 141 HB3 GLN 16 1HB GLN 16 -2.409 8.481 3.130 142 HG2 GLN 16 2HG GLN 16 -3.089 8.644 6.082 143 HG3 GLN 16 1HG GLN 16 -4.106 7.967 4.809 144 HE21 GLN 16 1HE2 GLN 16 -3.381 6.002 3.756 145 HE22 GLN 16 2HE2 GLN 16 -2.317 4.930 4.582 146 H TYR 17 HN TYR 17 -0.915 11.763 4.164 147 HA TYR 17 HA TYR 17 -0.239 11.956 1.334 148 HB2 TYR 17 2HB TYR 17 -1.869 13.538 2.168 149 HB3 TYR 17 1HB TYR 17 -0.783 14.093 3.431 150 HD1 TYR 17 HD1 TYR 17 -1.010 13.906 -0.327 151 HD2 TYR 17 HD2 TYR 17 0.437 16.088 3.058 152 HE1 TYR 17 HE1 TYR 17 -0.242 15.698 -1.812 153 HE2 TYR 17 HE2 TYR 17 1.197 17.886 1.569 154 HH TYR 17 HH TYR 17 0.307 18.064 -1.725 155 H GLU 18 HN GLU 18 1.265 12.993 4.418 156 HA GLU 18 HA GLU 18 3.514 14.208 3.154 157 HB2 GLU 18 2HB GLU 18 2.722 14.902 5.387 158 HB3 GLU 18 1HB GLU 18 3.214 13.346 6.060 159 HG2 GLU 18 2HG GLU 18 5.569 13.851 5.525 160 HG3 GLU 18 1HG GLU 18 5.083 15.381 4.790 161 H VAL 19 HN VAL 19 3.050 11.021 4.707 162 HA VAL 19 HA VAL 19 5.772 10.253 4.806 163 HB VAL 19 HB VAL 19 3.232 8.565 4.837 164 HG11 VAL 19 1HG1 VAL 19 6.085 7.626 5.315 165 HG12 VAL 19 2HG1 VAL 19 5.034 7.131 3.988 166 HG13 VAL 19 3HG1 VAL 19 4.639 6.667 5.642 167 HG21 VAL 19 3HG2 VAL 19 3.531 10.004 6.823 168 HG22 VAL 19 1HG2 VAL 19 5.149 9.329 7.079 169 HG23 VAL 19 2HG2 VAL 19 3.722 8.300 7.254 170 H THR 20 HN THR 20 3.210 9.226 2.506 171 HA THR 20 HA THR 20 4.892 8.027 0.619 172 HB THR 20 HB THR 20 2.146 9.267 0.166 173 HG1 THR 20 HG1 THR 20 1.412 7.187 0.821 174 HG21 THR 20 3HG2 THR 20 1.875 7.526 -1.577 175 HG22 THR 20 1HG2 THR 20 3.531 6.976 -1.305 176 HG23 THR 20 2HG2 THR 20 3.233 8.584 -1.969 177 H GLN 21 HN GLN 21 4.302 11.404 1.181 178 HA GLN 21 HA GLN 21 4.965 12.383 -1.453 179 HB2 GLN 21 2HB GLN 21 3.611 13.779 -0.001 180 HB3 GLN 21 1HB GLN 21 4.833 13.748 1.264 181 HG2 GLN 21 2HG GLN 21 6.356 15.052 -0.222 182 HG3 GLN 21 1HG GLN 21 5.067 15.153 -1.422 183 HE21 GLN 21 1HE2 GLN 21 3.324 16.535 -1.020 184 HE22 GLN 21 2HE2 GLN 21 3.332 17.707 0.246 185 H ASN 22 HN ASN 22 6.772 11.968 1.615 186 HA ASN 22 HA ASN 22 9.237 12.994 0.305 187 HB2 ASN 22 2HB ASN 22 9.981 13.826 2.436 188 HB3 ASN 22 1HB ASN 22 8.314 14.348 2.245 189 HD21 ASN 22 1HD2 ASN 22 9.815 14.160 4.693 190 HD22 ASN 22 2HD2 ASN 22 8.963 13.060 5.719 191 H ASN 23 HN ASN 23 7.809 10.159 1.251 192 HA ASN 23 HA ASN 23 8.400 8.083 1.841 193 HB2 ASN 23 2HB ASN 23 11.018 8.953 0.582 194 HB3 ASN 23 1HB ASN 23 10.860 7.360 1.315 195 HD21 ASN 23 1HD2 ASN 23 8.260 9.011 -0.463 196 HD22 ASN 23 2HD2 ASN 23 8.248 7.907 -1.787 197 H GLY 24 HN GLY 24 8.060 9.635 3.849 198 HA2 GLY 24 2HA GLY 24 10.277 9.553 5.749 199 HA3 GLY 24 1HA GLY 24 8.658 10.179 6.030 200 H THR 25 HN THR 25 9.817 8.748 7.933 201 HA THR 25 HA THR 25 8.057 6.371 8.097 202 HB THR 25 HB THR 25 9.794 5.292 9.617 203 HG1 THR 25 HG1 THR 25 11.378 6.602 10.174 204 HG21 THR 25 3HG2 THR 25 11.268 4.476 7.826 205 HG22 THR 25 1HG2 THR 25 10.703 5.769 6.768 206 HG23 THR 25 2HG2 THR 25 9.582 4.512 7.300 207 H GLU 26 HN GLU 26 6.753 6.411 9.853 208 HA GLU 26 HA GLU 26 6.963 8.599 11.768 209 HB2 GLU 26 2HB GLU 26 4.860 6.411 11.452 210 HB3 GLU 26 1HB GLU 26 4.769 7.735 12.610 211 HG2 GLU 26 2HG GLU 26 4.890 9.319 10.598 212 HG3 GLU 26 1HG GLU 26 4.623 7.896 9.588 213 HA PRO 27 HA PRO 27 9.309 6.625 14.868 214 HB2 PRO 27 2HB PRO 27 7.325 7.605 16.921 215 HB3 PRO 27 1HB PRO 27 9.073 7.873 16.827 216 HG2 PRO 27 2HG PRO 27 7.416 9.835 16.160 217 HG3 PRO 27 1HG PRO 27 8.859 9.528 15.165 218 HD2 PRO 27 2HD PRO 27 5.991 8.720 14.639 219 HD3 PRO 27 1HD PRO 27 7.188 9.428 13.528 220 HA PRO 28 HA PRO 28 7.857 2.515 16.196 221 HB2 PRO 28 2HB PRO 28 9.251 3.201 18.799 222 HB3 PRO 28 1HB PRO 28 9.361 1.727 17.819 223 HG2 PRO 28 2HG PRO 28 11.328 3.501 17.702 224 HG3 PRO 28 1HG PRO 28 10.738 2.764 16.196 225 HD2 PRO 28 2HD PRO 28 10.169 5.509 17.314 226 HD3 PRO 28 1HD PRO 28 10.500 5.022 15.633 227 H PHE 29 HN PHE 29 6.497 1.452 17.773 228 HA PHE 29 HA PHE 29 4.387 1.255 18.436 229 HB2 PHE 29 2HB PHE 29 3.822 2.151 20.694 230 HB3 PHE 29 1HB PHE 29 5.349 1.302 20.622 231 HD1 PHE 29 HD2 PHE 29 3.744 4.587 21.190 232 HD2 PHE 29 HD1 PHE 29 7.479 2.498 21.036 233 HE1 PHE 29 HE2 PHE 29 4.851 6.466 22.333 234 HE2 PHE 29 HE1 PHE 29 8.572 4.380 22.181 235 HZ PHE 29 HZ PHE 29 7.260 6.359 22.824 236 H GLN 30 HN GLN 30 4.701 3.069 16.372 237 HA GLN 30 HA GLN 30 3.070 5.316 16.303 238 HB2 GLN 30 2HB GLN 30 4.457 4.579 14.403 239 HB3 GLN 30 1HB GLN 30 3.489 3.122 14.221 240 HG2 GLN 30 2HG GLN 30 1.522 4.644 13.659 241 HG3 GLN 30 1HG GLN 30 2.679 5.973 13.594 242 HE21 GLN 30 1HE2 GLN 30 1.009 4.992 11.490 243 HE22 GLN 30 2HE2 GLN 30 2.047 4.508 10.202 244 H ASN 31 HN ASN 31 2.196 1.914 15.713 245 HA ASN 31 HA ASN 31 -0.637 2.480 16.393 246 HB2 ASN 31 2HB ASN 31 0.370 0.472 14.317 247 HB3 ASN 31 1HB ASN 31 -1.309 0.674 14.799 248 HD21 ASN 31 1HD2 ASN 31 -1.141 3.630 14.856 249 HD22 ASN 31 2HD2 ASN 31 -1.099 4.118 13.203 250 H GLU 32 HN GLU 32 -1.759 0.430 17.106 251 HA GLU 32 HA GLU 32 -0.105 -1.175 18.907 252 HB2 GLU 32 2HB GLU 32 -2.334 -0.205 19.598 253 HB3 GLU 32 1HB GLU 32 -3.122 -1.257 18.432 254 HG2 GLU 32 2HG GLU 32 -3.314 -2.163 20.696 255 HG3 GLU 32 1HG GLU 32 -2.358 -3.238 19.675 256 H TYR 33 HN TYR 33 -1.208 -1.384 15.684 257 HA TYR 33 HA TYR 33 -1.700 -4.312 15.746 258 HB2 TYR 33 2HB TYR 33 -2.717 -2.331 13.666 259 HB3 TYR 33 1HB TYR 33 -3.301 -3.965 13.977 260 HD1 TYR 33 HD2 TYR 33 -4.440 -4.412 16.276 261 HD2 TYR 33 HD1 TYR 33 -3.761 -0.466 14.768 262 HE1 TYR 33 HE2 TYR 33 -6.104 -3.525 17.849 263 HE2 TYR 33 HE1 TYR 33 -5.416 0.415 16.354 264 HH TYR 33 HH TYR 33 -7.397 -0.434 17.588 265 H TRP 34 HN TRP 34 0.284 -1.838 14.269 266 HA TRP 34 HA TRP 34 0.409 -3.051 11.678 267 HB2 TRP 34 2HB TRP 34 1.565 -1.144 10.965 268 HB3 TRP 34 1HB TRP 34 0.420 -0.568 12.146 269 HD1 TRP 34 HD1 TRP 34 2.945 1.022 11.082 270 HE1 TRP 34 HE1 TRP 34 4.678 1.923 12.708 271 HE3 TRP 34 HE3 TRP 34 2.035 -2.053 15.113 272 HZ2 TRP 34 HZ2 TRP 34 5.598 1.417 15.297 273 HZ3 TRP 34 HZ3 TRP 34 3.426 -1.768 17.107 274 HH2 TRP 34 HH2 TRP 34 5.167 -0.076 17.191 275 H ASP 35 HN ASP 35 2.121 -3.713 14.458 276 HA ASP 35 HA ASP 35 4.647 -4.570 13.274 277 HB2 ASP 35 2HB ASP 35 5.259 -5.182 15.581 278 HB3 ASP 35 1HB ASP 35 4.558 -3.569 15.567 279 H HIS 36 HN HIS 36 1.553 -5.913 14.153 280 HA HIS 36 HA HIS 36 2.251 -8.624 14.527 281 HB2 HIS 36 2HB HIS 36 -0.382 -7.250 13.876 282 HB3 HIS 36 1HB HIS 36 -0.274 -9.001 14.031 283 HD1 HIS 36 HD1 HIS 36 0.689 -5.956 16.135 284 HD2 HIS 36 HD2 HIS 36 -0.731 -9.838 16.565 285 HE1 HIS 36 HE1 HIS 36 0.344 -6.277 18.599 286 HE2 HIS 36 HE2 HIS 36 -0.328 -8.691 18.846 287 H LYS 37 HN LYS 37 2.886 -10.073 13.159 288 HA LYS 37 HA LYS 37 3.233 -9.437 10.335 289 HB2 LYS 37 2HB LYS 37 4.251 -11.845 11.921 290 HB3 LYS 37 1HB LYS 37 4.868 -11.249 10.376 291 HG2 LYS 37 2HG LYS 37 5.677 -9.200 11.481 292 HG3 LYS 37 1HG LYS 37 5.028 -9.771 13.027 293 HD2 LYS 37 2HD LYS 37 6.561 -11.708 12.951 294 HD3 LYS 37 1HD LYS 37 7.205 -11.149 11.400 295 HE2 LYS 37 2HE LYS 37 7.368 -9.629 14.031 296 HE3 LYS 37 1HE LYS 37 8.684 -10.549 13.301 297 HZ1 LYS 37 3HZ LYS 37 8.657 -9.027 11.422 298 HZ2 LYS 37 1HZ LYS 37 8.883 -8.177 12.867 299 HZ3 LYS 37 2HZ LYS 37 7.377 -8.161 12.101 300 H GLU 38 HN GLU 38 0.776 -10.753 11.937 301 HA GLU 38 HA GLU 38 0.291 -13.352 11.146 302 HB2 GLU 38 2HB GLU 38 -1.773 -11.170 11.691 303 HB3 GLU 38 1HB GLU 38 -2.041 -12.911 11.809 304 HG2 GLU 38 2HG GLU 38 -0.501 -13.071 13.688 305 HG3 GLU 38 1HG GLU 38 -0.065 -11.370 13.532 306 H GLU 39 HN GLU 39 -0.976 -14.340 9.494 307 HA GLU 39 HA GLU 39 -1.074 -13.290 6.922 308 HB2 GLU 39 2HB GLU 39 -2.871 -15.411 8.166 309 HB3 GLU 39 1HB GLU 39 -2.920 -14.994 6.460 310 HG2 GLU 39 2HG GLU 39 -1.620 -16.988 6.704 311 HG3 GLU 39 1HG GLU 39 -0.547 -15.673 6.233 312 H GLY 40 HN GLY 40 -2.478 -12.062 5.825 313 HA2 GLY 40 2HA GLY 40 -5.022 -11.212 6.365 314 HA3 GLY 40 1HA GLY 40 -4.000 -10.182 7.368 315 H LEU 41 HN LEU 41 -4.106 -8.248 6.304 316 HA LEU 41 HA LEU 41 -2.788 -8.080 3.688 317 HB2 LEU 41 2HB LEU 41 -5.536 -6.936 4.369 318 HB3 LEU 41 1HB LEU 41 -4.566 -6.307 3.043 319 HG LEU 41 HG LEU 41 -5.397 -9.228 3.184 320 HD11 LEU 41 1HD1 LEU 41 -6.882 -7.048 1.705 321 HD12 LEU 41 2HD1 LEU 41 -7.422 -7.845 3.187 322 HD13 LEU 41 3HD1 LEU 41 -7.242 -8.785 1.707 323 HD21 LEU 41 3HD2 LEU 41 -4.437 -7.519 0.857 324 HD22 LEU 41 1HD2 LEU 41 -4.968 -9.204 0.749 325 HD23 LEU 41 2HD2 LEU 41 -3.527 -8.791 1.678 326 H TYR 42 HN TYR 42 -2.240 -5.827 3.186 327 HA TYR 42 HA TYR 42 -2.480 -3.893 5.364 328 HB2 TYR 42 2HB TYR 42 -0.301 -2.836 4.691 329 HB3 TYR 42 1HB TYR 42 -0.155 -4.373 5.507 330 HD1 TYR 42 HD2 TYR 42 -0.059 -2.886 2.032 331 HD2 TYR 42 HD1 TYR 42 1.302 -5.999 4.638 332 HE1 TYR 42 HE2 TYR 42 1.581 -3.587 0.342 333 HE2 TYR 42 HE1 TYR 42 2.938 -6.692 2.953 334 HH TYR 42 HH TYR 42 3.703 -4.789 0.223 335 H VAL 43 HN VAL 43 -3.325 -2.039 4.708 336 HA VAL 43 HA VAL 43 -4.122 -1.794 1.876 337 HB VAL 43 HB VAL 43 -6.440 -1.383 2.496 338 HG11 VAL 43 1HG1 VAL 43 -5.770 -3.766 2.218 339 HG12 VAL 43 2HG1 VAL 43 -7.146 -3.584 3.306 340 HG13 VAL 43 3HG1 VAL 43 -5.536 -3.896 3.965 341 HG21 VAL 43 3HG2 VAL 43 -7.291 -1.525 4.818 342 HG22 VAL 43 1HG2 VAL 43 -6.130 -0.208 4.635 343 HG23 VAL 43 2HG2 VAL 43 -5.639 -1.712 5.415 344 H ASP 44 HN ASP 44 -4.839 0.375 1.267 345 HA ASP 44 HA ASP 44 -3.342 2.460 2.637 346 HB2 ASP 44 2HB ASP 44 -3.532 2.381 0.104 347 HB3 ASP 44 1HB ASP 44 -5.227 2.811 0.261 348 H ILE 45 HN ILE 45 -4.146 3.137 4.418 349 HA ILE 45 HA ILE 45 -6.497 2.518 5.633 350 HB ILE 45 HB ILE 45 -5.262 5.190 6.393 351 HG12 ILE 45 2HG1 ILE 45 -3.955 2.497 6.958 352 HG13 ILE 45 1HG1 ILE 45 -3.321 3.753 5.907 353 HG21 ILE 45 1HG2 ILE 45 -7.179 4.395 7.718 354 HG22 ILE 45 2HG2 ILE 45 -5.714 4.454 8.698 355 HG23 ILE 45 3HG2 ILE 45 -6.317 2.901 8.107 356 HD11 ILE 45 3HD1 ILE 45 -2.155 3.728 8.004 357 HD12 ILE 45 1HD1 ILE 45 -3.658 3.930 8.901 358 HD13 ILE 45 2HD1 ILE 45 -3.069 5.227 7.859 359 H VAL 46 HN VAL 46 -5.959 5.222 3.511 360 HA VAL 46 HA VAL 46 -7.949 7.039 4.122 361 HB VAL 46 HB VAL 46 -7.723 7.853 1.787 362 HG11 VAL 46 1HG1 VAL 46 -5.055 6.965 2.968 363 HG12 VAL 46 2HG1 VAL 46 -5.940 8.426 3.410 364 HG13 VAL 46 3HG1 VAL 46 -5.276 8.258 1.787 365 HG21 VAL 46 3HG2 VAL 46 -7.735 5.707 0.568 366 HG22 VAL 46 1HG2 VAL 46 -6.182 5.252 1.285 367 HG23 VAL 46 2HG2 VAL 46 -6.279 6.606 0.150 368 H SER 47 HN SER 47 -8.284 4.020 2.344 369 HA SER 47 HA SER 47 -11.188 4.291 2.190 370 HB2 SER 47 2HB SER 47 -10.363 5.399 0.108 371 HB3 SER 47 1HB SER 47 -9.487 3.940 -0.324 372 HG SER 47 HG SER 47 -12.008 3.259 0.124 373 H GLY 48 HN GLY 48 -8.726 2.496 3.175 374 HA2 GLY 48 2HA GLY 48 -8.443 0.307 3.734 375 HA3 GLY 48 1HA GLY 48 -10.159 0.099 3.431 376 H LYS 49 HN LYS 49 -7.845 1.139 1.020 377 HA LYS 49 HA LYS 49 -8.708 -0.756 -0.933 378 HB2 LYS 49 2HB LYS 49 -6.233 1.037 -0.952 379 HB3 LYS 49 1HB LYS 49 -6.976 0.279 -2.362 380 HG2 LYS 49 2HG LYS 49 -8.382 2.312 -0.605 381 HG3 LYS 49 1HG LYS 49 -7.465 2.737 -2.055 382 HD2 LYS 49 2HD LYS 49 -9.803 0.776 -2.096 383 HD3 LYS 49 1HD LYS 49 -10.000 2.513 -2.353 384 HE2 LYS 49 2HE LYS 49 -8.474 2.388 -4.292 385 HE3 LYS 49 1HE LYS 49 -8.302 0.648 -4.044 386 HZ1 LYS 49 3HZ LYS 49 -10.855 2.036 -4.611 387 HZ2 LYS 49 1HZ LYS 49 -10.619 0.365 -4.497 388 HZ3 LYS 49 2HZ LYS 49 -9.906 1.238 -5.762 389 HA PRO 50 HA PRO 50 -5.803 -4.007 0.598 390 HB2 PRO 50 2HB PRO 50 -6.506 -5.904 -1.313 391 HB3 PRO 50 1HB PRO 50 -7.348 -5.680 0.220 392 HG2 PRO 50 2HG PRO 50 -8.054 -4.620 -2.503 393 HG3 PRO 50 1HG PRO 50 -9.117 -5.323 -1.269 394 HD2 PRO 50 2HD PRO 50 -8.978 -2.653 -1.629 395 HD3 PRO 50 1HD PRO 50 -9.160 -3.347 0.003 396 H LEU 51 HN LEU 51 -3.719 -3.892 0.102 397 HA LEU 51 HA LEU 51 -2.883 -3.095 -2.619 398 HB2 LEU 51 2HB LEU 51 -1.565 -2.585 0.082 399 HB3 LEU 51 1HB LEU 51 -0.892 -2.096 -1.469 400 HG LEU 51 HG LEU 51 -3.393 -1.043 -0.112 401 HD11 LEU 51 1HD1 LEU 51 -0.923 0.423 -1.064 402 HD12 LEU 51 2HD1 LEU 51 -1.317 -0.002 0.604 403 HD13 LEU 51 3HD1 LEU 51 -2.336 1.143 -0.271 404 HD21 LEU 51 3HD2 LEU 51 -3.972 -1.428 -2.470 405 HD22 LEU 51 1HD2 LEU 51 -2.574 -0.475 -2.984 406 HD23 LEU 51 2HD2 LEU 51 -3.899 0.291 -2.104 407 H PHE 52 HN PHE 52 -1.874 -5.052 0.176 408 HA PHE 52 HA PHE 52 -1.488 -7.378 -1.339 409 HB2 PHE 52 2HB PHE 52 0.580 -6.135 -2.154 410 HB3 PHE 52 1HB PHE 52 1.183 -6.131 -0.502 411 HD1 PHE 52 HD1 PHE 52 -0.147 -8.573 -3.047 412 HD2 PHE 52 HD2 PHE 52 2.695 -7.835 0.070 413 HE1 PHE 52 HE1 PHE 52 0.833 -10.798 -3.403 414 HE2 PHE 52 HE2 PHE 52 3.662 -10.048 -0.310 415 HZ PHE 52 HZ PHE 52 2.740 -11.537 -2.031 416 H THR 53 HN THR 53 -0.376 -9.153 0.100 417 HA THR 53 HA THR 53 -1.816 -9.059 2.592 418 HB THR 53 HB THR 53 -1.897 -11.101 1.228 419 HG1 THR 53 HG1 THR 53 -2.227 -11.725 3.258 420 HG21 THR 53 3HG2 THR 53 1.060 -11.432 1.846 421 HG22 THR 53 1HG2 THR 53 0.377 -11.064 0.257 422 HG23 THR 53 2HG2 THR 53 0.033 -12.614 1.032 423 H SER 54 HN SER 54 -1.057 -9.111 4.634 424 HA SER 54 HA SER 54 1.584 -8.430 5.387 425 HB2 SER 54 2HB SER 54 -0.421 -7.842 6.731 426 HB3 SER 54 1HB SER 54 -0.656 -9.546 7.117 427 HG SER 54 HG SER 54 1.383 -9.505 8.165 428 H LYS 55 HN LYS 55 0.206 -11.481 4.609 429 HA LYS 55 HA LYS 55 1.795 -13.266 6.081 430 HB2 LYS 55 2HB LYS 55 -0.133 -14.007 4.740 431 HB3 LYS 55 1HB LYS 55 0.726 -13.614 3.251 432 HG2 LYS 55 2HG LYS 55 2.396 -15.371 3.727 433 HG3 LYS 55 1HG LYS 55 1.590 -15.733 5.256 434 HD2 LYS 55 2HD LYS 55 0.990 -17.395 3.567 435 HD3 LYS 55 1HD LYS 55 -0.432 -16.455 4.025 436 HE2 LYS 55 2HE LYS 55 -0.399 -16.798 1.617 437 HE3 LYS 55 1HE LYS 55 -0.155 -15.087 1.960 438 HZ1 LYS 55 3HZ LYS 55 1.977 -17.040 1.295 439 HZ2 LYS 55 1HZ LYS 55 2.212 -15.408 1.628 440 HZ3 LYS 55 2HZ LYS 55 1.353 -15.867 0.247 441 H ASP 56 HN ASP 56 2.622 -11.426 3.158 442 HA ASP 56 HA ASP 56 5.341 -12.675 3.089 443 HB2 ASP 56 2HB ASP 56 3.804 -11.252 0.875 444 HB3 ASP 56 1HB ASP 56 5.464 -11.825 0.730 445 H LYS 57 HN LYS 57 4.270 -10.454 4.762 446 HA LYS 57 HA LYS 57 5.328 -7.959 3.814 447 HB2 LYS 57 2HB LYS 57 3.322 -8.244 5.281 448 HB3 LYS 57 1HB LYS 57 4.368 -8.810 6.575 449 HG2 LYS 57 2HG LYS 57 5.501 -6.540 6.487 450 HG3 LYS 57 1HG LYS 57 4.236 -6.034 5.370 451 HD2 LYS 57 2HD LYS 57 3.660 -5.309 7.598 452 HD3 LYS 57 1HD LYS 57 2.533 -6.561 7.093 453 HE2 LYS 57 2HE LYS 57 3.731 -8.202 8.487 454 HE3 LYS 57 1HE LYS 57 4.889 -6.958 8.966 455 HZ1 LYS 57 3HZ LYS 57 3.058 -5.707 9.949 456 HZ2 LYS 57 1HZ LYS 57 3.199 -7.248 10.635 457 HZ3 LYS 57 2HZ LYS 57 1.974 -6.938 9.514 458 H PHE 58 HN PHE 58 6.983 -6.737 4.835 459 HA PHE 58 HA PHE 58 9.134 -8.192 6.249 460 HB2 PHE 58 2HB PHE 58 9.087 -5.540 4.727 461 HB3 PHE 58 1HB PHE 58 10.455 -6.040 5.722 462 HD1 PHE 58 HD1 PHE 58 8.347 -7.237 2.841 463 HD2 PHE 58 HD2 PHE 58 12.183 -7.326 4.744 464 HE1 PHE 58 HE1 PHE 58 9.263 -8.514 0.952 465 HE2 PHE 58 HE2 PHE 58 13.087 -8.612 2.852 466 HZ PHE 58 HZ PHE 58 11.630 -9.208 0.948 467 H ASP 59 HN ASP 59 10.294 -6.411 7.840 468 HA ASP 59 HA ASP 59 8.655 -6.265 10.097 469 HB2 ASP 59 2HB ASP 59 11.158 -6.300 10.078 470 HB3 ASP 59 1HB ASP 59 11.155 -4.626 9.542 471 H SER 60 HN SER 60 8.134 -4.300 11.385 472 HA SER 60 HA SER 60 6.146 -2.768 10.149 473 HB2 SER 60 2HB SER 60 6.286 -3.547 12.561 474 HB3 SER 60 1HB SER 60 7.455 -2.257 12.851 475 HG SER 60 HG SER 60 4.733 -2.027 12.104 476 H GLN 61 HN GLN 61 6.613 -0.156 11.554 477 HA GLN 61 HA GLN 61 7.265 1.397 9.391 478 HB2 GLN 61 2HB GLN 61 7.553 3.322 11.071 479 HB3 GLN 61 1HB GLN 61 6.027 2.465 11.085 480 HG2 GLN 61 2HG GLN 61 6.709 2.962 13.365 481 HG3 GLN 61 1HG GLN 61 6.741 1.221 13.098 482 HE21 GLN 61 1HE2 GLN 61 8.756 4.088 13.463 483 HE22 GLN 61 2HE2 GLN 61 10.172 3.244 13.976 484 H CYS 62 HN CYS 62 9.583 -0.069 11.467 485 HA CYS 62 HA CYS 62 11.872 1.548 11.156 486 HB2 CYS 62 2HB CYS 62 11.705 -0.260 12.838 487 HB3 CYS 62 1HB CYS 62 11.697 -1.467 11.555 488 HG CYS 62 HG CYS 62 14.281 -1.018 10.732 489 H GLY 63 HN GLY 63 10.316 -0.590 8.953 490 HA2 GLY 63 2HA GLY 63 12.086 0.215 6.768 491 HA3 GLY 63 1HA GLY 63 11.808 -1.510 7.016 492 H TRP 64 HN TRP 64 10.987 -1.012 4.721 493 HA TRP 64 HA TRP 64 8.070 -0.532 4.802 494 HB2 TRP 64 2HB TRP 64 9.995 0.144 2.536 495 HB3 TRP 64 1HB TRP 64 8.247 0.342 2.473 496 HD1 TRP 64 HD1 TRP 64 7.729 1.835 5.241 497 HE1 TRP 64 HE1 TRP 64 8.531 4.259 5.561 498 HE3 TRP 64 HE3 TRP 64 11.376 1.948 1.655 499 HZ2 TRP 64 HZ2 TRP 64 10.468 5.973 4.465 500 HZ3 TRP 64 HZ3 TRP 64 12.665 4.028 1.358 501 HH2 TRP 64 HH2 TRP 64 12.215 5.997 2.736 502 HA PRO 65 HA PRO 65 8.000 -4.791 3.231 503 HB2 PRO 65 2HB PRO 65 5.114 -4.348 2.655 504 HB3 PRO 65 1HB PRO 65 5.871 -5.481 3.782 505 HG2 PRO 65 2HG PRO 65 4.500 -3.313 4.647 506 HG3 PRO 65 1HG PRO 65 5.917 -3.936 5.522 507 HD2 PRO 65 2HD PRO 65 5.750 -1.606 3.600 508 HD3 PRO 65 1HD PRO 65 6.580 -1.709 5.170 509 H SER 66 HN SER 66 8.848 -5.172 1.275 510 HA SER 66 HA SER 66 7.629 -3.958 -1.131 511 HB2 SER 66 2HB SER 66 9.923 -4.077 -2.164 512 HB3 SER 66 1HB SER 66 9.836 -2.987 -0.778 513 HG SER 66 HG SER 66 11.355 -4.125 0.068 514 H PHE 67 HN PHE 67 7.001 -5.318 -2.678 515 HA PHE 67 HA PHE 67 8.030 -8.065 -2.871 516 HB2 PHE 67 2HB PHE 67 5.674 -7.791 -1.616 517 HB3 PHE 67 1HB PHE 67 5.043 -7.558 -3.242 518 HD1 PHE 67 HD1 PHE 67 6.824 -9.958 -1.019 519 HD2 PHE 67 HD2 PHE 67 4.716 -9.472 -4.702 520 HE1 PHE 67 HE1 PHE 67 6.716 -12.398 -1.287 521 HE2 PHE 67 HE2 PHE 67 4.610 -11.908 -4.960 522 HZ PHE 67 HZ PHE 67 5.609 -13.377 -3.257 523 H THR 68 HN THR 68 6.960 -8.910 -5.176 524 HA THR 68 HA THR 68 7.288 -6.740 -7.161 525 HB THR 68 HB THR 68 7.218 -8.726 -8.814 526 HG1 THR 68 HG1 THR 68 6.598 -10.529 -7.890 527 HG21 THR 68 3HG2 THR 68 9.355 -7.655 -8.157 528 HG22 THR 68 1HG2 THR 68 9.538 -9.395 -8.404 529 HG23 THR 68 2HG2 THR 68 9.455 -8.741 -6.768 530 H LYS 69 HN LYS 69 5.056 -9.392 -6.364 531 HA LYS 69 HA LYS 69 2.909 -8.529 -8.043 532 HB2 LYS 69 2HB LYS 69 3.024 -10.875 -7.462 533 HB3 LYS 69 1HB LYS 69 2.968 -10.523 -5.738 534 HG2 LYS 69 2HG LYS 69 0.641 -9.773 -5.939 535 HG3 LYS 69 1HG LYS 69 0.686 -9.996 -7.686 536 HD2 LYS 69 2HD LYS 69 1.158 -12.315 -5.776 537 HD3 LYS 69 1HD LYS 69 -0.473 -11.817 -6.229 538 HE2 LYS 69 2HE LYS 69 0.192 -13.655 -7.648 539 HE3 LYS 69 1HE LYS 69 0.130 -12.200 -8.635 540 HZ1 LYS 69 3HZ LYS 69 2.580 -13.479 -7.554 541 HZ2 LYS 69 1HZ LYS 69 2.551 -12.057 -8.470 542 HZ3 LYS 69 2HZ LYS 69 2.056 -13.517 -9.155 543 HA PRO 70 HA PRO 70 0.770 -5.928 -4.917 544 HB2 PRO 70 2HB PRO 70 -0.311 -4.144 -6.574 545 HB3 PRO 70 1HB PRO 70 1.436 -4.119 -6.290 546 HG2 PRO 70 2HG PRO 70 -0.075 -5.148 -8.676 547 HG3 PRO 70 1HG PRO 70 1.487 -4.307 -8.617 548 HD2 PRO 70 2HD PRO 70 1.079 -7.142 -8.747 549 HD3 PRO 70 1HD PRO 70 2.623 -6.305 -8.466 550 H ILE 71 HN ILE 71 -1.640 -5.342 -4.849 551 HA ILE 71 HA ILE 71 -3.382 -7.316 -6.177 552 HB ILE 71 HB ILE 71 -3.979 -5.238 -4.013 553 HG12 ILE 71 2HG1 ILE 71 -3.888 -8.290 -3.964 554 HG13 ILE 71 1HG1 ILE 71 -2.730 -7.205 -3.205 555 HG21 ILE 71 1HG2 ILE 71 -6.277 -6.164 -3.904 556 HG22 ILE 71 2HG2 ILE 71 -5.938 -7.170 -5.316 557 HG23 ILE 71 3HG2 ILE 71 -5.948 -5.412 -5.467 558 HD11 ILE 71 3HD1 ILE 71 -4.200 -8.182 -1.566 559 HD12 ILE 71 1HD1 ILE 71 -5.618 -7.581 -2.425 560 HD13 ILE 71 2HD1 ILE 71 -4.494 -6.445 -1.668 561 H GLU 72 HN GLU 72 -3.786 -6.724 -8.216 562 HA GLU 72 HA GLU 72 -2.961 -4.106 -9.142 563 HB2 GLU 72 2HB GLU 72 -3.218 -5.060 -11.405 564 HB3 GLU 72 1HB GLU 72 -2.295 -6.140 -10.365 565 HG2 GLU 72 2HG GLU 72 -4.323 -7.527 -10.021 566 HG3 GLU 72 1HG GLU 72 -5.219 -6.463 -11.102 567 H GLU 73 HN GLU 73 -5.915 -5.533 -8.248 568 HA GLU 73 HA GLU 73 -7.755 -4.221 -9.968 569 HB2 GLU 73 2HB GLU 73 -8.177 -5.265 -7.137 570 HB3 GLU 73 1HB GLU 73 -9.450 -4.911 -8.306 571 HG2 GLU 73 2HG GLU 73 -7.369 -7.108 -8.466 572 HG3 GLU 73 1HG GLU 73 -9.097 -7.298 -8.182 573 H GLU 74 HN GLU 74 -6.440 -3.431 -6.727 574 HA GLU 74 HA GLU 74 -7.942 -0.891 -6.656 575 HB2 GLU 74 2HB GLU 74 -6.225 -2.187 -4.496 576 HB3 GLU 74 1HB GLU 74 -7.381 -0.872 -4.279 577 HG2 GLU 74 2HG GLU 74 -8.015 -3.746 -5.010 578 HG3 GLU 74 1HG GLU 74 -8.279 -2.977 -3.454 579 H VAL 75 HN VAL 75 -4.814 -2.088 -7.328 580 HA VAL 75 HA VAL 75 -3.391 0.375 -6.678 581 HB VAL 75 HB VAL 75 -2.462 -2.354 -7.695 582 HG11 VAL 75 1HG1 VAL 75 -0.785 0.088 -7.023 583 HG12 VAL 75 2HG1 VAL 75 -0.990 -0.633 -8.622 584 HG13 VAL 75 3HG1 VAL 75 -0.152 -1.527 -7.353 585 HG21 VAL 75 3HG2 VAL 75 -1.427 -2.548 -5.450 586 HG22 VAL 75 1HG2 VAL 75 -3.175 -2.323 -5.330 587 HG23 VAL 75 2HG2 VAL 75 -2.085 -0.970 -5.007 588 H GLU 76 HN GLU 76 -2.979 1.887 -8.169 589 HA GLU 76 HA GLU 76 -3.309 1.302 -11.059 590 HB2 GLU 76 2HB GLU 76 -3.713 3.875 -9.475 591 HB3 GLU 76 1HB GLU 76 -3.574 3.859 -11.234 592 HG2 GLU 76 2HG GLU 76 -5.690 2.386 -9.638 593 HG3 GLU 76 1HG GLU 76 -5.923 3.943 -10.433 594 H GLU 77 HN GLU 77 -1.447 1.240 -12.114 595 HA GLU 77 HA GLU 77 0.993 2.306 -10.906 596 HB2 GLU 77 2HB GLU 77 2.208 1.070 -12.669 597 HB3 GLU 77 1HB GLU 77 1.151 0.020 -11.746 598 HG2 GLU 77 2HG GLU 77 0.468 1.100 -14.495 599 HG3 GLU 77 1HG GLU 77 1.280 -0.437 -14.232 600 H LYS 78 HN LYS 78 1.664 4.300 -11.413 601 HA LYS 78 HA LYS 78 0.653 5.648 -13.868 602 HB2 LYS 78 2HB LYS 78 1.085 6.876 -11.097 603 HB3 LYS 78 1HB LYS 78 0.512 7.727 -12.531 604 HG2 LYS 78 2HG LYS 78 -0.967 5.462 -11.142 605 HG3 LYS 78 1HG LYS 78 -1.302 7.181 -10.913 606 HD2 LYS 78 2HD LYS 78 -1.530 5.715 -13.577 607 HD3 LYS 78 1HD LYS 78 -2.886 6.036 -12.491 608 HE2 LYS 78 2HE LYS 78 -2.519 8.469 -12.749 609 HE3 LYS 78 1HE LYS 78 -1.152 8.151 -13.820 610 HZ1 LYS 78 3HZ LYS 78 -3.934 7.306 -14.335 611 HZ2 LYS 78 1HZ LYS 78 -2.616 7.136 -15.379 612 HZ3 LYS 78 2HZ LYS 78 -3.194 8.677 -14.995 613 H LEU 79 HN LEU 79 2.387 5.919 -15.171 614 HA LEU 79 HA LEU 79 5.067 5.614 -14.456 615 HB2 LEU 79 2HB LEU 79 4.169 5.368 -16.782 616 HB3 LEU 79 1HB LEU 79 3.973 7.113 -16.871 617 HG LEU 79 HG LEU 79 6.485 7.338 -16.535 618 HD11 LEU 79 1HD1 LEU 79 6.529 4.341 -17.007 619 HD12 LEU 79 2HD1 LEU 79 6.905 5.149 -15.482 620 HD13 LEU 79 3HD1 LEU 79 7.935 5.408 -16.890 621 HD21 LEU 79 3HD2 LEU 79 5.618 5.803 -19.003 622 HD22 LEU 79 1HD2 LEU 79 7.077 6.788 -18.848 623 HD23 LEU 79 2HD2 LEU 79 5.489 7.547 -18.764 624 H ASP 80 HN ASP 80 6.543 6.965 -13.647 625 HA ASP 80 HA ASP 80 5.954 9.832 -13.307 626 HB2 ASP 80 2HB ASP 80 5.330 8.619 -11.231 627 HB3 ASP 80 1HB ASP 80 6.934 7.895 -11.151 628 H THR 81 HN THR 81 7.761 11.175 -13.192 629 HA THR 81 HA THR 81 10.467 10.081 -13.567 630 HB THR 81 HB THR 81 10.860 11.841 -15.384 631 HG1 THR 81 HG1 THR 81 8.006 11.924 -15.421 632 HG21 THR 81 3HG2 THR 81 9.847 10.562 -17.228 633 HG22 THR 81 1HG2 THR 81 8.768 9.741 -16.095 634 HG23 THR 81 2HG2 THR 81 10.509 9.458 -16.022 635 H SER 82 HN SER 82 8.776 11.637 -11.463 636 HA SER 82 HA SER 82 9.827 14.288 -11.278 637 HB2 SER 82 2HB SER 82 8.463 12.589 -9.155 638 HB3 SER 82 1HB SER 82 8.720 14.329 -9.059 639 HG SER 82 HG SER 82 6.696 13.053 -10.128 640 H HIS 83 HN HIS 83 11.111 11.210 -10.363 641 HA HIS 83 HA HIS 83 12.998 12.223 -8.382 642 HB2 HIS 83 2HB HIS 83 11.961 9.892 -8.343 643 HB3 HIS 83 1HB HIS 83 12.958 9.487 -9.731 644 HD1 HIS 83 HD1 HIS 83 13.180 10.219 -6.036 645 HD2 HIS 83 HD2 HIS 83 15.620 8.859 -9.114 646 HE1 HIS 83 HE1 HIS 83 15.234 9.306 -4.915 647 HE2 HIS 83 HE2 HIS 83 16.763 8.654 -6.805 648 H GLY 84 HN GLY 84 12.834 12.381 -11.714 649 HA2 GLY 84 2HA GLY 84 14.398 13.361 -13.139 650 HA3 GLY 84 1HA GLY 84 15.680 13.015 -11.990 651 H MET 85 HN MET 85 13.820 10.282 -12.416 652 HA MET 85 HA MET 85 15.248 9.223 -14.767 653 HB2 MET 85 2HB MET 85 15.029 7.744 -12.087 654 HB3 MET 85 1HB MET 85 15.643 7.051 -13.581 655 HG2 MET 85 2HG MET 85 17.520 8.689 -13.523 656 HG3 MET 85 1HG MET 85 16.919 9.266 -11.967 657 HE1 MET 85 3HE MET 85 16.678 7.521 -9.798 658 HE2 MET 85 1HE MET 85 17.331 5.884 -9.839 659 HE3 MET 85 2HE MET 85 15.906 6.288 -10.798 660 H ILE 86 HN ILE 86 14.214 7.207 -15.557 661 HA ILE 86 HA ILE 86 11.354 7.286 -15.588 662 HB ILE 86 HB ILE 86 13.228 5.089 -16.577 663 HG12 ILE 86 2HG1 ILE 86 13.627 7.180 -17.778 664 HG13 ILE 86 1HG1 ILE 86 12.807 6.051 -18.847 665 HG21 ILE 86 1HG2 ILE 86 10.255 5.435 -17.147 666 HG22 ILE 86 2HG2 ILE 86 10.995 4.143 -16.200 667 HG23 ILE 86 3HG2 ILE 86 11.315 4.255 -17.933 668 HD11 ILE 86 3HD1 ILE 86 11.948 8.280 -19.127 669 HD12 ILE 86 1HD1 ILE 86 11.551 8.388 -17.412 670 HD13 ILE 86 2HD1 ILE 86 10.693 7.243 -18.449 671 H ARG 87 HN ARG 87 9.973 6.409 -14.222 672 HA ARG 87 HA ARG 87 10.376 3.941 -12.819 673 HB2 ARG 87 2HB ARG 87 10.189 4.827 -10.535 674 HB3 ARG 87 1HB ARG 87 11.598 5.549 -11.307 675 HG2 ARG 87 2HG ARG 87 10.297 7.609 -11.751 676 HG3 ARG 87 1HG ARG 87 8.894 6.896 -10.949 677 HD2 ARG 87 2HD ARG 87 11.572 7.549 -9.682 678 HD3 ARG 87 1HD ARG 87 10.055 8.425 -9.443 679 HE ARG 87 HE ARG 87 9.887 5.633 -8.725 680 HH11 ARG 87 1HH1 ARG 87 10.685 8.832 -7.516 681 HH12 ARG 87 2HH1 ARG 87 10.590 8.352 -5.855 682 HH21 ARG 87 1HH2 ARG 87 9.791 5.030 -6.546 683 HH22 ARG 87 2HH2 ARG 87 10.113 6.206 -5.310 684 H THR 88 HN THR 88 8.345 3.703 -11.329 685 HA THR 88 HA THR 88 6.007 5.194 -12.361 686 HB THR 88 HB THR 88 6.200 2.163 -12.022 687 HG1 THR 88 HG1 THR 88 6.866 3.597 -14.020 688 HG21 THR 88 3HG2 THR 88 3.875 2.042 -12.812 689 HG22 THR 88 1HG2 THR 88 3.770 3.803 -12.810 690 HG23 THR 88 2HG2 THR 88 3.960 2.929 -11.291 691 H GLU 89 HN GLU 89 4.556 5.747 -10.824 692 HA GLU 89 HA GLU 89 5.004 4.889 -8.023 693 HB2 GLU 89 2HB GLU 89 5.552 7.292 -8.432 694 HB3 GLU 89 1HB GLU 89 3.917 7.566 -9.020 695 HG2 GLU 89 2HG GLU 89 2.973 7.200 -6.846 696 HG3 GLU 89 1HG GLU 89 4.492 6.558 -6.223 697 H VAL 90 HN VAL 90 3.264 3.992 -6.977 698 HA VAL 90 HA VAL 90 0.871 3.549 -8.619 699 HB VAL 90 HB VAL 90 0.258 1.767 -6.930 700 HG11 VAL 90 1HG1 VAL 90 1.292 1.203 -9.066 701 HG12 VAL 90 2HG1 VAL 90 1.876 0.118 -7.803 702 HG13 VAL 90 3HG1 VAL 90 2.907 1.433 -8.382 703 HG21 VAL 90 3HG2 VAL 90 3.083 2.202 -5.883 704 HG22 VAL 90 1HG2 VAL 90 2.003 0.881 -5.431 705 HG23 VAL 90 2HG2 VAL 90 1.592 2.541 -5.002 706 H ARG 91 HN ARG 91 -0.882 4.610 -8.289 707 HA ARG 91 HA ARG 91 -1.771 5.735 -5.833 708 HB2 ARG 91 2HB ARG 91 -1.456 8.150 -6.531 709 HB3 ARG 91 1HB ARG 91 0.031 7.314 -6.110 710 HG2 ARG 91 2HG ARG 91 0.559 7.058 -8.526 711 HG3 ARG 91 1HG ARG 91 -0.924 7.930 -8.935 712 HD2 ARG 91 2HD ARG 91 1.458 9.025 -7.389 713 HD3 ARG 91 1HD ARG 91 1.008 9.434 -9.047 714 HE ARG 91 HE ARG 91 -1.209 10.162 -7.732 715 HH11 ARG 91 1HH1 ARG 91 2.141 10.832 -6.953 716 HH12 ARG 91 2HH1 ARG 91 1.791 12.361 -6.215 717 HH21 ARG 91 1HH2 ARG 91 -1.659 12.173 -6.715 718 HH22 ARG 91 2HH2 ARG 91 -0.353 13.121 -6.078 719 H SER 92 HN SER 92 -3.966 5.788 -6.056 720 HA SER 92 HA SER 92 -5.145 6.095 -8.747 721 HB2 SER 92 2HB SER 92 -5.841 4.155 -7.294 722 HB3 SER 92 1HB SER 92 -6.552 5.304 -6.170 723 HG SER 92 HG SER 92 -7.785 4.240 -8.100 724 H ARG 93 HN ARG 93 -7.552 7.274 -8.313 725 HA ARG 93 HA ARG 93 -6.496 9.954 -8.498 726 HB2 ARG 93 2HB ARG 93 -7.961 8.953 -10.234 727 HB3 ARG 93 1HB ARG 93 -9.285 8.906 -9.078 728 HG2 ARG 93 2HG ARG 93 -9.305 11.356 -8.949 729 HG3 ARG 93 1HG ARG 93 -7.916 11.445 -10.035 730 HD2 ARG 93 2HD ARG 93 -9.994 11.930 -11.244 731 HD3 ARG 93 1HD ARG 93 -9.264 10.441 -11.846 732 HE ARG 93 HE ARG 93 -10.936 9.317 -10.251 733 HH11 ARG 93 1HH1 ARG 93 -11.645 12.245 -12.036 734 HH12 ARG 93 2HH1 ARG 93 -13.350 11.949 -12.076 735 HH21 ARG 93 1HH2 ARG 93 -13.155 8.926 -10.293 736 HH22 ARG 93 2HH2 ARG 93 -14.216 10.059 -11.073 737 H THR 94 HN THR 94 -9.253 8.510 -6.647 738 HA THR 94 HA THR 94 -10.192 11.069 -5.830 739 HB THR 94 HB THR 94 -11.028 8.288 -4.908 740 HG1 THR 94 HG1 THR 94 -12.541 9.918 -6.634 741 HG21 THR 94 3HG2 THR 94 -11.772 9.970 -3.259 742 HG22 THR 94 1HG2 THR 94 -13.144 9.357 -4.183 743 HG23 THR 94 2HG2 THR 94 -12.473 10.946 -4.552 744 H ALA 95 HN ALA 95 -9.067 8.365 -3.731 745 HA ALA 95 HA ALA 95 -8.171 10.336 -1.683 746 HB1 ALA 95 3HB ALA 95 -10.282 9.269 -0.954 747 HB2 ALA 95 1HB ALA 95 -8.938 8.786 0.082 748 HB3 ALA 95 2HB ALA 95 -9.552 7.674 -1.145 749 H ASP 96 HN ASP 96 -7.268 7.945 -3.768 750 HA ASP 96 HA ASP 96 -5.764 6.273 -1.874 751 HB2 ASP 96 2HB ASP 96 -6.297 5.297 -4.663 752 HB3 ASP 96 1HB ASP 96 -6.368 4.431 -3.135 753 H SER 97 HN SER 97 -4.917 8.829 -3.575 754 HA SER 97 HA SER 97 -2.720 8.015 -5.179 755 HB2 SER 97 2HB SER 97 -1.948 10.389 -4.937 756 HB3 SER 97 1HB SER 97 -3.653 10.252 -5.371 757 HG SER 97 HG SER 97 -4.073 11.343 -3.657 758 H HIS 98 HN HIS 98 -3.089 7.686 -1.900 759 HA HIS 98 HA HIS 98 -0.415 8.291 -0.986 760 HB2 HIS 98 2HB HIS 98 -2.821 7.187 0.521 761 HB3 HIS 98 1HB HIS 98 -1.356 7.868 1.241 762 HD1 HIS 98 HD1 HIS 98 -4.683 8.805 0.437 763 HD2 HIS 98 HD2 HIS 98 -1.006 10.691 0.179 764 HE1 HIS 98 HE1 HIS 98 -5.196 11.255 0.287 765 HE2 HIS 98 HE2 HIS 98 -2.965 12.335 -0.132 766 H LEU 99 HN LEU 99 -1.610 5.595 -2.563 767 HA LEU 99 HA LEU 99 -0.989 3.343 -1.127 768 HB2 LEU 99 2HB LEU 99 -0.113 3.573 -4.028 769 HB3 LEU 99 1HB LEU 99 -0.578 2.118 -3.173 770 HG LEU 99 HG LEU 99 -2.412 4.346 -4.115 771 HD11 LEU 99 1HD1 LEU 99 -3.376 2.678 -5.618 772 HD12 LEU 99 2HD1 LEU 99 -2.217 1.470 -5.053 773 HD13 LEU 99 3HD1 LEU 99 -1.653 2.895 -5.929 774 HD21 LEU 99 3HD2 LEU 99 -4.290 2.928 -3.350 775 HD22 LEU 99 1HD2 LEU 99 -3.296 3.535 -2.029 776 HD23 LEU 99 2HD2 LEU 99 -3.128 1.868 -2.555 777 H GLY 100 HN GLY 100 1.398 4.694 -3.444 778 HA2 GLY 100 2HA GLY 100 3.699 4.883 -1.990 779 HA3 GLY 100 1HA GLY 100 3.533 3.147 -2.244 780 H HIS 101 HN HIS 101 5.442 3.162 -3.512 781 HA HIS 101 HA HIS 101 5.041 4.018 -6.307 782 HB2 HIS 101 2HB HIS 101 7.487 4.724 -6.389 783 HB3 HIS 101 1HB HIS 101 6.449 5.782 -5.431 784 HD1 HIS 101 HD1 HIS 101 9.099 3.099 -4.985 785 HD2 HIS 101 HD2 HIS 101 7.148 6.022 -2.770 786 HE1 HIS 101 HE1 HIS 101 10.313 3.214 -2.794 787 HE2 HIS 101 HE2 HIS 101 9.165 5.037 -1.510 788 H VAL 102 HN VAL 102 6.615 2.936 -7.762 789 HA VAL 102 HA VAL 102 7.703 0.382 -6.789 790 HB VAL 102 HB VAL 102 6.979 -0.880 -8.748 791 HG11 VAL 102 1HG1 VAL 102 4.571 0.511 -7.513 792 HG12 VAL 102 2HG1 VAL 102 5.406 -0.889 -6.853 793 HG13 VAL 102 3HG1 VAL 102 4.535 -1.029 -8.378 794 HG21 VAL 102 3HG2 VAL 102 5.566 1.639 -9.703 795 HG22 VAL 102 1HG2 VAL 102 5.419 0.041 -10.446 796 HG23 VAL 102 2HG2 VAL 102 6.973 0.874 -10.448 797 H PHE 103 HN PHE 103 9.511 -0.411 -8.164 798 HA PHE 103 HA PHE 103 10.756 1.797 -9.683 799 HB2 PHE 103 2HB PHE 103 11.833 0.761 -7.470 800 HB3 PHE 103 1HB PHE 103 12.391 -0.495 -8.568 801 HD1 PHE 103 HD2 PHE 103 12.096 2.999 -9.774 802 HD2 PHE 103 HD1 PHE 103 14.749 0.101 -8.059 803 HE1 PHE 103 HE2 PHE 103 14.018 4.436 -10.300 804 HE2 PHE 103 HE1 PHE 103 16.659 1.559 -8.579 805 HZ PHE 103 HZ PHE 103 16.300 3.725 -9.695 806 H ASN 104 HN ASN 104 10.865 1.537 -11.775 807 HA ASN 104 HA ASN 104 10.270 -0.890 -13.192 808 HB2 ASN 104 2HB ASN 104 11.347 1.781 -14.225 809 HB3 ASN 104 1HB ASN 104 10.705 0.485 -15.234 810 HD21 ASN 104 1HD2 ASN 104 9.063 1.709 -16.094 811 HD22 ASN 104 2HD2 ASN 104 7.708 2.272 -15.182 812 H ASP 105 HN ASP 105 12.967 0.083 -11.622 813 HA ASP 105 HA ASP 105 14.924 -1.322 -13.334 814 HB2 ASP 105 2HB ASP 105 15.256 1.164 -12.816 815 HB3 ASP 105 1HB ASP 105 15.437 0.732 -11.123 816 H GLY 106 HN GLY 106 12.987 -2.663 -11.706 817 HA2 GLY 106 2HA GLY 106 14.622 -3.881 -9.552 818 HA3 GLY 106 1HA GLY 106 12.946 -3.424 -9.278 819 HA PRO 107 HA PRO 107 13.345 -7.018 -12.749 820 HB2 PRO 107 2HB PRO 107 15.093 -9.028 -11.862 821 HB3 PRO 107 1HB PRO 107 15.511 -7.757 -13.020 822 HG2 PRO 107 2HG PRO 107 15.990 -7.837 -10.042 823 HG3 PRO 107 1HG PRO 107 17.102 -7.345 -11.338 824 HD2 PRO 107 2HD PRO 107 15.841 -5.493 -9.880 825 HD3 PRO 107 1HD PRO 107 16.032 -5.260 -11.635 826 H GLY 108 HN GLY 108 11.876 -8.644 -12.722 827 HA2 GLY 108 2HA GLY 108 11.357 -10.508 -10.685 828 HA3 GLY 108 1HA GLY 108 10.253 -9.144 -10.478 829 HA PRO 109 HA PRO 109 8.400 -12.188 -13.680 830 HB2 PRO 109 2HB PRO 109 5.907 -12.299 -12.406 831 HB3 PRO 109 1HB PRO 109 7.203 -13.474 -12.156 832 HG2 PRO 109 2HG PRO 109 6.475 -11.069 -10.494 833 HG3 PRO 109 1HG PRO 109 6.900 -12.710 -9.956 834 HD2 PRO 109 2HD PRO 109 8.708 -10.725 -9.847 835 HD3 PRO 109 1HD PRO 109 9.206 -12.366 -10.314 836 H ASN 110 HN ASN 110 7.380 -9.242 -12.074 837 HA ASN 110 HA ASN 110 5.853 -8.294 -14.414 838 HB2 ASN 110 2HB ASN 110 5.022 -6.517 -12.911 839 HB3 ASN 110 1HB ASN 110 4.718 -8.112 -12.235 840 HD21 ASN 110 1HD2 ASN 110 4.768 -5.616 -10.826 841 HD22 ASN 110 2HD2 ASN 110 5.999 -5.743 -9.618 842 H GLY 111 HN GLY 111 8.808 -7.832 -12.663 843 HA2 GLY 111 2HA GLY 111 10.761 -6.719 -13.308 844 HA3 GLY 111 1HA GLY 111 9.894 -6.000 -14.652 845 H LEU 112 HN LEU 112 8.097 -5.531 -11.884 846 HA LEU 112 HA LEU 112 9.255 -2.879 -11.263 847 HB2 LEU 112 2HB LEU 112 6.439 -3.941 -10.770 848 HB3 LEU 112 1HB LEU 112 7.010 -2.341 -10.326 849 HG LEU 112 HG LEU 112 6.683 -3.370 -13.175 850 HD11 LEU 112 1HD1 LEU 112 4.808 -1.778 -13.310 851 HD12 LEU 112 2HD1 LEU 112 5.020 -1.377 -11.600 852 HD13 LEU 112 3HD1 LEU 112 4.531 -3.007 -12.073 853 HD21 LEU 112 3HD2 LEU 112 8.527 -1.776 -13.042 854 HD22 LEU 112 1HD2 LEU 112 7.514 -0.627 -12.166 855 HD23 LEU 112 2HD2 LEU 112 7.153 -1.028 -13.847 856 H ARG 113 HN ARG 113 9.284 -2.282 -8.993 857 HA ARG 113 HA ARG 113 9.188 -4.571 -7.078 858 HB2 ARG 113 2HB ARG 113 11.484 -3.567 -7.413 859 HB3 ARG 113 1HB ARG 113 10.859 -2.036 -6.808 860 HG2 ARG 113 2HG ARG 113 12.045 -3.185 -5.017 861 HG3 ARG 113 1HG ARG 113 10.320 -3.134 -4.630 862 HD2 ARG 113 2HD ARG 113 11.342 -5.356 -4.125 863 HD3 ARG 113 1HD ARG 113 10.057 -5.471 -5.331 864 HE ARG 113 HE ARG 113 12.546 -5.154 -6.629 865 HH11 ARG 113 1HH1 ARG 113 10.817 -7.611 -4.833 866 HH12 ARG 113 2HH1 ARG 113 11.585 -8.916 -5.668 867 HH21 ARG 113 1HH2 ARG 113 13.549 -6.842 -7.677 868 HH22 ARG 113 2HH2 ARG 113 13.143 -8.478 -7.288 869 H TYR 114 HN TYR 114 7.218 -4.403 -6.194 870 HA TYR 114 HA TYR 114 5.801 -1.954 -5.767 871 HB2 TYR 114 2HB TYR 114 4.726 -4.157 -6.350 872 HB3 TYR 114 1HB TYR 114 5.169 -4.771 -4.760 873 HD1 TYR 114 HD2 TYR 114 3.459 -1.765 -6.228 874 HD2 TYR 114 HD1 TYR 114 3.403 -4.756 -3.167 875 HE1 TYR 114 HE2 TYR 114 1.370 -0.837 -5.372 876 HE2 TYR 114 HE1 TYR 114 1.301 -3.815 -2.300 877 HH TYR 114 HH TYR 114 -0.449 -1.350 -4.006 878 H CYS 115 HN CYS 115 6.707 -0.590 -4.265 879 HA CYS 115 HA CYS 115 7.509 -1.677 -1.621 880 HB2 CYS 115 2HB CYS 115 9.267 0.238 -1.693 881 HB3 CYS 115 1HB CYS 115 9.570 -1.193 -2.673 882 HG CYS 115 HG CYS 115 8.277 0.257 -4.938 883 H ILE 116 HN ILE 116 6.133 -0.995 -0.165 884 HA ILE 116 HA ILE 116 4.757 1.625 -0.427 885 HB ILE 116 HB ILE 116 3.659 -0.960 0.784 886 HG12 ILE 116 2HG1 ILE 116 3.890 -1.202 -1.664 887 HG13 ILE 116 1HG1 ILE 116 2.194 -1.121 -1.206 888 HG21 ILE 116 1HG2 ILE 116 2.666 1.033 1.802 889 HG22 ILE 116 2HG2 ILE 116 1.472 0.202 0.799 890 HG23 ILE 116 3HG2 ILE 116 2.255 1.670 0.209 891 HD11 ILE 116 3HD1 ILE 116 2.126 1.221 -1.939 892 HD12 ILE 116 1HD1 ILE 116 2.611 0.122 -3.227 893 HD13 ILE 116 2HD1 ILE 116 3.825 1.108 -2.418 894 H ASN 117 HN ASN 117 4.371 2.799 1.503 895 HA ASN 117 HA ASN 117 6.346 2.537 3.556 896 HB2 ASN 117 2HB ASN 117 3.953 4.400 3.270 897 HB3 ASN 117 1HB ASN 117 5.217 4.572 4.483 898 HD21 ASN 117 1HD2 ASN 117 4.248 6.116 1.973 899 HD22 ASN 117 2HD2 ASN 117 5.733 6.515 1.193 900 H SER 118 HN SER 118 6.123 1.026 5.175 901 HA SER 118 HA SER 118 3.740 -0.114 6.147 902 HB2 SER 118 2HB SER 118 6.038 -1.023 6.593 903 HB3 SER 118 1HB SER 118 6.326 0.307 7.707 904 HG SER 118 HG SER 118 4.220 -0.626 8.699 905 H ALA 119 HN ALA 119 5.233 2.946 6.804 906 HA ALA 119 HA ALA 119 3.769 3.576 9.226 907 HB1 ALA 119 3HB ALA 119 6.094 4.327 8.913 908 HB2 ALA 119 1HB ALA 119 5.004 5.703 9.108 909 HB3 ALA 119 2HB ALA 119 5.609 5.272 7.506 910 H ALA 120 HN ALA 120 2.739 3.399 6.103 911 HA ALA 120 HA ALA 120 0.624 5.422 6.556 912 HB1 ALA 120 3HB ALA 120 2.210 6.344 4.884 913 HB2 ALA 120 1HB ALA 120 0.644 5.988 4.149 914 HB3 ALA 120 2HB ALA 120 2.013 4.901 3.888 915 H LEU 121 HN LEU 121 0.921 2.456 6.958 916 HA LEU 121 HA LEU 121 -1.228 1.488 5.172 917 HB2 LEU 121 2HB LEU 121 1.129 0.007 6.375 918 HB3 LEU 121 1HB LEU 121 -0.265 -0.832 5.705 919 HG LEU 121 HG LEU 121 1.536 1.048 4.164 920 HD11 LEU 121 1HD1 LEU 121 2.738 -0.960 4.713 921 HD12 LEU 121 2HD1 LEU 121 2.336 -0.960 3.000 922 HD13 LEU 121 3HD1 LEU 121 1.416 -1.966 4.119 923 HD21 LEU 121 3HD2 LEU 121 0.284 0.254 2.177 924 HD22 LEU 121 1HD2 LEU 121 -0.707 1.151 3.322 925 HD23 LEU 121 2HD2 LEU 121 -0.826 -0.609 3.242 926 H ARG 122 HN ARG 122 -2.770 0.176 5.965 927 HA ARG 122 HA ARG 122 -3.158 -0.058 8.892 928 HB2 ARG 122 2HB ARG 122 -4.945 1.275 7.995 929 HB3 ARG 122 1HB ARG 122 -5.119 0.248 6.581 930 HG2 ARG 122 2HG ARG 122 -6.985 -0.023 8.136 931 HG3 ARG 122 1HG ARG 122 -6.079 -1.521 7.933 932 HD2 ARG 122 2HD ARG 122 -4.863 -0.940 10.097 933 HD3 ARG 122 1HD ARG 122 -6.052 0.353 10.320 934 HE ARG 122 HE ARG 122 -7.613 -1.793 9.890 935 HH11 ARG 122 1HH1 ARG 122 -5.024 -1.229 12.204 936 HH12 ARG 122 2HH1 ARG 122 -5.606 -2.449 13.288 937 HH21 ARG 122 1HH2 ARG 122 -8.325 -3.339 11.303 938 HH22 ARG 122 2HH2 ARG 122 -7.481 -3.630 12.783 939 H PHE 123 HN PHE 123 -2.591 -2.012 9.479 940 HA PHE 123 HA PHE 123 -2.617 -4.284 7.641 941 HB2 PHE 123 2HB PHE 123 -1.486 -4.010 10.467 942 HB3 PHE 123 1HB PHE 123 -1.248 -5.388 9.389 943 HD1 PHE 123 HD2 PHE 123 -0.541 -1.741 9.762 944 HD2 PHE 123 HD1 PHE 123 0.490 -5.330 7.703 945 HE1 PHE 123 HE2 PHE 123 1.387 -0.615 8.758 946 HE2 PHE 123 HE1 PHE 123 2.402 -4.167 6.686 947 HZ PHE 123 HZ PHE 123 2.855 -1.823 7.215 948 H VAL 124 HN VAL 124 -4.225 -5.698 7.642 949 HA VAL 124 HA VAL 124 -6.212 -5.715 9.830 950 HB VAL 124 HB VAL 124 -6.778 -6.117 6.848 951 HG11 VAL 124 1HG1 VAL 124 -9.171 -5.957 7.518 952 HG12 VAL 124 2HG1 VAL 124 -8.681 -5.872 9.212 953 HG13 VAL 124 3HG1 VAL 124 -8.352 -7.326 8.272 954 HG21 VAL 124 3HG2 VAL 124 -7.350 -3.637 8.533 955 HG22 VAL 124 1HG2 VAL 124 -7.869 -3.891 6.862 956 HG23 VAL 124 2HG2 VAL 124 -6.151 -3.764 7.241 957 HA PRO 125 HA PRO 125 -4.597 -10.011 9.666 958 HB2 PRO 125 2HB PRO 125 -5.850 -10.911 11.940 959 HB3 PRO 125 1HB PRO 125 -4.377 -9.929 11.990 960 HG2 PRO 125 2HG PRO 125 -7.253 -9.048 12.315 961 HG3 PRO 125 1HG PRO 125 -5.840 -8.614 13.301 962 HD2 PRO 125 2HD PRO 125 -6.782 -6.950 11.386 963 HD3 PRO 125 1HD PRO 125 -5.038 -7.079 11.719 964 H LYS 126 HN LYS 126 -5.607 -12.117 9.373 965 HA LYS 126 HA LYS 126 -7.855 -12.087 7.661 966 HB2 LYS 126 2HB LYS 126 -5.938 -13.673 7.518 967 HB3 LYS 126 1HB LYS 126 -6.507 -14.468 8.980 968 HG2 LYS 126 2HG LYS 126 -8.513 -15.243 7.855 969 HG3 LYS 126 1HG LYS 126 -8.129 -14.288 6.423 970 HD2 LYS 126 2HD LYS 126 -7.600 -16.684 6.093 971 HD3 LYS 126 1HD LYS 126 -6.165 -15.667 5.966 972 HE2 LYS 126 2HE LYS 126 -5.712 -17.750 7.223 973 HE3 LYS 126 1HE LYS 126 -5.478 -16.329 8.240 974 HZ1 LYS 126 3HZ LYS 126 -7.962 -17.929 8.201 975 HZ2 LYS 126 1HZ LYS 126 -7.551 -16.712 9.288 976 HZ3 LYS 126 2HZ LYS 126 -6.709 -18.176 9.306 977 H HIS 127 HN HIS 127 -7.553 -12.654 11.056 978 HA HIS 127 HA HIS 127 -10.161 -13.690 11.601 979 HB2 HIS 127 2HB HIS 127 -8.248 -13.962 13.161 980 HB3 HIS 127 1HB HIS 127 -8.226 -12.227 13.448 981 HD1 HIS 127 HD1 HIS 127 -9.014 -11.955 15.798 982 HD2 HIS 127 HD2 HIS 127 -11.285 -14.747 13.736 983 HE1 HIS 127 HE1 HIS 127 -10.885 -12.575 17.354 984 HE2 HIS 127 HE2 HIS 127 -12.329 -14.152 16.025 985 H LYS 128 HN LYS 128 -9.086 -10.553 10.754 986 HA LYS 128 HA LYS 128 -11.654 -9.318 11.564 987 HB2 LYS 128 2HB LYS 128 -8.902 -8.173 11.037 988 HB3 LYS 128 1HB LYS 128 -10.300 -7.155 10.729 989 HG2 LYS 128 2HG LYS 128 -9.616 -8.435 13.400 990 HG3 LYS 128 1HG LYS 128 -9.339 -6.746 12.949 991 HD2 LYS 128 2HD LYS 128 -11.868 -6.579 12.539 992 HD3 LYS 128 1HD LYS 128 -12.007 -8.164 13.307 993 HE2 LYS 128 2HE LYS 128 -10.939 -5.622 14.584 994 HE3 LYS 128 1HE LYS 128 -12.489 -6.397 14.917 995 HZ1 LYS 128 3HZ LYS 128 -9.782 -7.430 15.569 996 HZ2 LYS 128 1HZ LYS 128 -11.183 -8.369 15.676 997 HZ3 LYS 128 2HZ LYS 128 -11.016 -6.996 16.643 998 H LEU 129 HN LEU 129 -9.949 -10.562 8.849 999 HA LEU 129 HA LEU 129 -10.901 -8.794 6.829 1000 HB2 LEU 129 2HB LEU 129 -9.692 -11.560 6.738 1001 HB3 LEU 129 1HB LEU 129 -10.239 -10.761 5.272 1002 HG LEU 129 HG LEU 129 -8.081 -9.709 7.147 1003 HD11 LEU 129 1HD1 LEU 129 -6.513 -10.248 5.349 1004 HD12 LEU 129 2HD1 LEU 129 -7.825 -10.953 4.398 1005 HD13 LEU 129 3HD1 LEU 129 -7.350 -11.690 5.929 1006 HD21 LEU 129 3HD2 LEU 129 -9.299 -7.881 6.072 1007 HD22 LEU 129 1HD2 LEU 129 -9.023 -8.601 4.482 1008 HD23 LEU 129 2HD2 LEU 129 -7.661 -8.005 5.440 1009 H LYS 130 HN LYS 130 -12.135 -11.933 8.067 1010 HA LYS 130 HA LYS 130 -14.116 -12.456 6.155 1011 HB2 LYS 130 2HB LYS 130 -14.204 -13.004 9.141 1012 HB3 LYS 130 1HB LYS 130 -15.216 -13.796 7.932 1013 HG2 LYS 130 2HG LYS 130 -13.292 -14.919 6.972 1014 HG3 LYS 130 1HG LYS 130 -12.180 -14.001 7.997 1015 HD2 LYS 130 2HD LYS 130 -14.278 -15.974 9.009 1016 HD3 LYS 130 1HD LYS 130 -12.555 -16.331 8.830 1017 HE2 LYS 130 2HE LYS 130 -12.016 -14.598 10.513 1018 HE3 LYS 130 1HE LYS 130 -13.726 -14.188 10.652 1019 HZ1 LYS 130 3HZ LYS 130 -14.159 -16.371 11.511 1020 HZ2 LYS 130 1HZ LYS 130 -12.975 -15.606 12.436 1021 HZ3 LYS 130 2HZ LYS 130 -12.537 -16.811 11.336 1022 H GLU 131 HN GLU 131 -14.062 -10.196 8.788 1023 HA GLU 131 HA GLU 131 -16.838 -9.398 8.658 1024 HB2 GLU 131 2HB GLU 131 -15.620 -9.343 10.799 1025 HB3 GLU 131 1HB GLU 131 -14.391 -8.293 10.101 1026 HG2 GLU 131 2HG GLU 131 -16.228 -6.550 9.789 1027 HG3 GLU 131 1HG GLU 131 -17.265 -7.592 10.764 1028 H GLU 132 HN GLU 132 -13.649 -8.158 7.579 1029 HA GLU 132 HA GLU 132 -14.915 -5.598 6.775 1030 HB2 GLU 132 2HB GLU 132 -13.190 -5.644 8.687 1031 HB3 GLU 132 1HB GLU 132 -11.979 -6.073 7.481 1032 HG2 GLU 132 2HG GLU 132 -12.288 -3.964 6.335 1033 HG3 GLU 132 1HG GLU 132 -13.658 -3.554 7.363 1034 H GLY 133 HN GLY 133 -14.436 -8.232 5.173 1035 HA2 GLY 133 2HA GLY 133 -14.701 -7.979 2.747 1036 HA3 GLY 133 1HA GLY 133 -13.395 -6.812 2.760 1037 H TYR 134 HN TYR 134 -13.833 -10.135 4.068 1038 HA TYR 134 HA TYR 134 -11.403 -11.226 3.792 1039 HB2 TYR 134 2HB TYR 134 -12.568 -13.431 3.471 1040 HB3 TYR 134 1HB TYR 134 -13.224 -12.457 4.776 1041 HD1 TYR 134 HD1 TYR 134 -13.917 -13.839 1.408 1042 HD2 TYR 134 HD2 TYR 134 -15.480 -11.472 4.605 1043 HE1 TYR 134 HE1 TYR 134 -16.159 -13.980 0.418 1044 HE2 TYR 134 HE2 TYR 134 -17.715 -11.628 3.625 1045 HH TYR 134 HH TYR 134 -18.491 -13.787 1.107 1046 H GLU 135 HN GLU 135 -13.618 -10.654 1.113 1047 HA GLU 135 HA GLU 135 -12.615 -12.376 -0.810 1048 HB2 GLU 135 2HB GLU 135 -13.772 -11.007 -2.443 1049 HB3 GLU 135 1HB GLU 135 -14.735 -11.135 -0.976 1050 HG2 GLU 135 2HG GLU 135 -14.063 -8.878 -0.285 1051 HG3 GLU 135 1HG GLU 135 -13.021 -8.734 -1.701 1052 H SER 136 HN SER 136 -10.990 -9.746 0.510 1053 HA SER 136 HA SER 136 -9.580 -8.816 -1.857 1054 HB2 SER 136 2HB SER 136 -9.295 -8.054 1.075 1055 HB3 SER 136 1HB SER 136 -8.656 -7.163 -0.304 1056 HG SER 136 HG SER 136 -11.371 -7.578 0.395 1057 H TYR 137 HN TYR 137 -8.942 -10.773 1.023 1058 HA TYR 137 HA TYR 137 -6.298 -11.591 -0.084 1059 HB2 TYR 137 2HB TYR 137 -6.203 -10.713 2.199 1060 HB3 TYR 137 1HB TYR 137 -7.462 -11.820 2.721 1061 HD1 TYR 137 HD2 TYR 137 -4.219 -12.363 0.823 1062 HD2 TYR 137 HD1 TYR 137 -6.546 -13.294 4.295 1063 HE1 TYR 137 HE2 TYR 137 -2.493 -13.933 1.579 1064 HE2 TYR 137 HE1 TYR 137 -4.810 -14.855 5.037 1065 HH TYR 137 HH TYR 137 -1.735 -14.861 3.794 1066 H LEU 138 HN LEU 138 -9.135 -12.905 1.535 1067 HA LEU 138 HA LEU 138 -8.404 -15.618 1.287 1068 HB2 LEU 138 2HB LEU 138 -11.071 -14.347 2.033 1069 HB3 LEU 138 1HB LEU 138 -10.731 -16.066 2.136 1070 HG LEU 138 HG LEU 138 -8.871 -15.484 3.808 1071 HD11 LEU 138 1HD1 LEU 138 -8.657 -13.051 3.328 1072 HD12 LEU 138 2HD1 LEU 138 -8.968 -13.384 5.033 1073 HD13 LEU 138 3HD1 LEU 138 -10.269 -12.796 4.004 1074 HD21 LEU 138 3HD2 LEU 138 -10.982 -16.468 4.558 1075 HD22 LEU 138 1HD2 LEU 138 -11.723 -14.860 4.633 1076 HD23 LEU 138 2HD2 LEU 138 -10.394 -15.279 5.726 1077 H HIS 139 HN HIS 139 -10.458 -13.517 -0.772 1078 HA HIS 139 HA HIS 139 -10.918 -15.796 -2.572 1079 HB2 HIS 139 2HB HIS 139 -12.801 -14.217 -2.225 1080 HB3 HIS 139 1HB HIS 139 -11.854 -12.933 -2.972 1081 HD1 HIS 139 HD1 HIS 139 -12.525 -12.592 -5.351 1082 HD2 HIS 139 HD2 HIS 139 -12.896 -16.575 -4.201 1083 HE1 HIS 139 HE1 HIS 139 -13.348 -13.810 -7.392 1084 HE2 HIS 139 HE2 HIS 139 -13.678 -16.194 -6.628 1085 H LEU 140 HN LEU 140 -9.194 -12.630 -2.696 1086 HA LEU 140 HA LEU 140 -8.439 -12.830 -5.430 1087 HB2 LEU 140 2HB LEU 140 -7.270 -11.143 -3.190 1088 HB3 LEU 140 1HB LEU 140 -6.737 -11.011 -4.857 1089 HG LEU 140 HG LEU 140 -9.524 -10.365 -3.824 1090 HD11 LEU 140 1HD1 LEU 140 -8.964 -8.040 -4.335 1091 HD12 LEU 140 2HD1 LEU 140 -7.346 -8.522 -4.850 1092 HD13 LEU 140 3HD1 LEU 140 -7.830 -8.714 -3.160 1093 HD21 LEU 140 3HD2 LEU 140 -9.658 -11.260 -6.097 1094 HD22 LEU 140 1HD2 LEU 140 -8.430 -10.110 -6.642 1095 HD23 LEU 140 2HD2 LEU 140 -10.003 -9.533 -6.083 1096 H PHE 141 HN PHE 141 -6.463 -13.376 -2.481 1097 HA PHE 141 HA PHE 141 -4.257 -14.503 -4.015 1098 HB2 PHE 141 2HB PHE 141 -3.692 -13.347 -1.939 1099 HB3 PHE 141 1HB PHE 141 -4.758 -14.387 -1.001 1100 HD1 PHE 141 HD1 PHE 141 -1.607 -14.394 -3.028 1101 HD2 PHE 141 HD2 PHE 141 -3.942 -16.474 -0.105 1102 HE1 PHE 141 HE1 PHE 141 0.230 -15.989 -2.681 1103 HE2 PHE 141 HE2 PHE 141 -2.098 -18.059 0.230 1104 HZ PHE 141 HZ PHE 141 -0.014 -17.822 -1.060 1105 H ASN 142 HN ASN 142 -6.852 -15.762 -1.956 1106 HA ASN 142 HA ASN 142 -6.124 -18.548 -2.643 1107 HB2 ASN 142 2HB ASN 142 -6.309 -18.073 -0.230 1108 HB3 ASN 142 1HB ASN 142 -7.924 -17.418 -0.444 1109 HD21 ASN 142 1HD2 ASN 142 -9.666 -18.847 -0.770 1110 HD22 ASN 142 2HD2 ASN 142 -9.536 -20.543 -0.444 1111 H LYS 143 HN LYS 143 -6.919 -18.522 -4.739 1112 HA LYS 143 HA LYS 143 -9.420 -17.464 -5.582 1113 HB2 LYS 143 2HB LYS 143 -7.319 -17.912 -6.998 1114 HB3 LYS 143 1HB LYS 143 -7.784 -19.605 -7.011 1115 HG2 LYS 143 2HG LYS 143 -9.901 -18.998 -8.183 1116 HG3 LYS 143 1HG LYS 143 -9.397 -17.304 -8.183 1117 HD2 LYS 143 2HD LYS 143 -7.287 -18.107 -9.448 1118 HD3 LYS 143 1HD LYS 143 -8.138 -19.637 -9.663 1119 HE2 LYS 143 2HE LYS 143 -9.126 -16.934 -10.650 1120 HE3 LYS 143 1HE LYS 143 -8.324 -18.146 -11.645 1121 HZ1 LYS 143 3HZ LYS 143 -10.168 -19.652 -11.178 1122 HZ2 LYS 143 1HZ LYS 143 -10.685 -18.236 -11.934 1123 HZ3 LYS 143 2HZ LYS 143 -10.937 -18.448 -10.279 1124 H LEU 144 HN LEU 144 -10.897 -18.368 -4.049 1125 HA LEU 144 HA LEU 144 -11.355 -21.264 -4.038 1126 HB2 LEU 144 2HB LEU 144 -11.245 -19.848 -1.896 1127 HB3 LEU 144 1HB LEU 144 -12.778 -19.146 -2.357 1128 HG LEU 144 HG LEU 144 -12.873 -20.971 -0.592 1129 HD11 LEU 144 1HD1 LEU 144 -14.881 -22.071 -1.410 1130 HD12 LEU 144 2HD1 LEU 144 -14.544 -21.513 -3.052 1131 HD13 LEU 144 3HD1 LEU 144 -14.897 -20.346 -1.774 1132 HD21 LEU 144 3HD2 LEU 144 -12.225 -22.841 -2.893 1133 HD22 LEU 144 1HD2 LEU 144 -12.704 -23.318 -1.259 1134 HD23 LEU 144 2HD2 LEU 144 -11.179 -22.476 -1.518 1135 H GLU 145 HN GLU 145 -12.323 -21.747 -5.913 1136 HA GLU 145 HA GLU 145 -14.588 -20.368 -7.000 1137 HB2 GLU 145 2HB GLU 145 -12.908 -21.847 -8.270 1138 HB3 GLU 145 1HB GLU 145 -13.752 -23.238 -7.600 1139 HG2 GLU 145 2HG GLU 145 -15.797 -22.614 -8.750 1140 HG3 GLU 145 1HG GLU 145 -15.090 -21.086 -9.271 1141 H HIS 146 HN HIS 146 -16.705 -20.746 -6.559 1142 HA HIS 146 HA HIS 146 -17.379 -21.956 -4.091 1143 HB2 HIS 146 2HB HIS 146 -19.174 -20.856 -6.293 1144 HB3 HIS 146 1HB HIS 146 -19.733 -21.308 -4.681 1145 HD1 HIS 146 HD1 HIS 146 -18.591 -18.449 -6.531 1146 HD2 HIS 146 HD2 HIS 146 -18.266 -19.725 -2.587 1147 HE1 HIS 146 HE1 HIS 146 -17.982 -16.400 -5.214 1148 HE2 HIS 146 HE2 HIS 146 -17.898 -17.176 -2.816 1149 H HIS 147 HN HIS 147 -18.978 -23.560 -3.716 1150 HA HIS 147 HA HIS 147 -18.393 -26.044 -4.738 1151 HB2 HIS 147 2HB HIS 147 -20.379 -26.862 -3.458 1152 HB3 HIS 147 1HB HIS 147 -19.371 -25.762 -2.530 1153 HD1 HIS 147 HD1 HIS 147 -22.801 -26.268 -3.703 1154 HD2 HIS 147 HD2 HIS 147 -20.558 -23.113 -2.193 1155 HE1 HIS 147 HE1 HIS 147 -24.474 -24.510 -3.058 1156 HE2 HIS 147 HE2 HIS 147 -23.075 -22.537 -2.354 Start of MODEL 19 1 H1 MET 1 1H MET 1 -10.428 2.331 17.403 2 H2 MET 1 2H MET 1 -10.819 3.719 16.524 3 H3 MET 1 3H MET 1 -11.316 2.204 15.974 4 HA MET 1 HA MET 1 -12.742 1.916 17.859 5 HB2 MET 1 2HB MET 1 -11.850 4.742 18.602 6 HB3 MET 1 1HB MET 1 -13.106 3.824 19.427 7 HG2 MET 1 2HG MET 1 -10.151 3.171 19.342 8 HG3 MET 1 1HG MET 1 -11.076 3.754 20.732 9 HE1 MET 1 3HE MET 1 -10.158 -0.013 21.643 10 HE2 MET 1 1HE MET 1 -10.075 1.654 22.210 11 HE3 MET 1 2HE MET 1 -9.169 1.166 20.779 12 H ALA 2 HN ALA 2 -14.849 3.363 18.201 13 HA ALA 2 HA ALA 2 -16.066 3.686 15.672 14 HB1 ALA 2 3HB ALA 2 -17.339 3.063 17.687 15 HB2 ALA 2 1HB ALA 2 -18.032 4.495 16.924 16 HB3 ALA 2 2HB ALA 2 -17.051 4.661 18.383 17 H TYR 3 HN TYR 3 -15.702 5.292 14.280 18 HA TYR 3 HA TYR 3 -15.663 8.107 14.978 19 HB2 TYR 3 2HB TYR 3 -13.228 6.822 15.178 20 HB3 TYR 3 1HB TYR 3 -13.193 7.239 13.477 21 HD1 TYR 3 HD1 TYR 3 -14.033 8.918 16.752 22 HD2 TYR 3 HD2 TYR 3 -12.031 9.239 12.987 23 HE1 TYR 3 HE1 TYR 3 -13.140 11.110 17.412 24 HE2 TYR 3 HE2 TYR 3 -11.145 11.438 13.644 25 HH TYR 3 HH TYR 3 -11.546 13.224 15.181 26 H ASN 4 HN ASN 4 -16.193 9.357 13.091 27 HA ASN 4 HA ASN 4 -17.660 7.936 11.109 28 HB2 ASN 4 2HB ASN 4 -16.866 10.882 11.150 29 HB3 ASN 4 1HB ASN 4 -18.025 10.173 10.034 30 HD21 ASN 4 1HD2 ASN 4 -17.448 11.220 13.286 31 HD22 ASN 4 2HD2 ASN 4 -19.084 11.118 13.828 32 H LYS 5 HN LYS 5 -17.285 7.574 8.955 33 HA LYS 5 HA LYS 5 -14.791 6.703 8.144 34 HB2 LYS 5 2HB LYS 5 -16.862 5.915 7.129 35 HB3 LYS 5 1HB LYS 5 -17.206 7.506 6.477 36 HG2 LYS 5 2HG LYS 5 -16.501 6.325 4.603 37 HG3 LYS 5 1HG LYS 5 -15.044 7.192 5.060 38 HD2 LYS 5 2HD LYS 5 -15.562 4.301 5.866 39 HD3 LYS 5 1HD LYS 5 -14.799 4.729 4.337 40 HE2 LYS 5 2HE LYS 5 -12.985 5.881 5.647 41 HE3 LYS 5 1HE LYS 5 -13.734 5.284 7.128 42 HZ1 LYS 5 3HZ LYS 5 -13.392 3.042 6.374 43 HZ2 LYS 5 1HZ LYS 5 -11.927 3.883 6.377 44 HZ3 LYS 5 2HZ LYS 5 -12.727 3.589 4.921 45 H GLU 6 HN GLU 6 -16.415 9.606 6.815 46 HA GLU 6 HA GLU 6 -14.204 10.579 5.360 47 HB2 GLU 6 2HB GLU 6 -16.587 12.160 6.411 48 HB3 GLU 6 1HB GLU 6 -15.471 12.705 5.158 49 HG2 GLU 6 2HG GLU 6 -17.409 10.371 4.992 50 HG3 GLU 6 1HG GLU 6 -17.535 11.912 4.152 51 H GLU 7 HN GLU 7 -15.425 11.460 8.588 52 HA GLU 7 HA GLU 7 -13.641 13.424 9.382 53 HB2 GLU 7 2HB GLU 7 -15.614 12.789 10.665 54 HB3 GLU 7 1HB GLU 7 -14.953 11.192 10.971 55 HG2 GLU 7 2HG GLU 7 -13.187 12.186 12.376 56 HG3 GLU 7 1HG GLU 7 -13.861 13.792 12.074 57 H LYS 8 HN LYS 8 -13.121 9.971 9.162 58 HA LYS 8 HA LYS 8 -10.528 9.958 10.467 59 HB2 LYS 8 2HB LYS 8 -11.960 7.842 8.807 60 HB3 LYS 8 1HB LYS 8 -10.335 7.610 9.449 61 HG2 LYS 8 2HG LYS 8 -11.209 7.869 11.744 62 HG3 LYS 8 1HG LYS 8 -12.835 8.092 11.103 63 HD2 LYS 8 2HD LYS 8 -12.543 5.801 11.915 64 HD3 LYS 8 1HD LYS 8 -12.791 5.804 10.167 65 HE2 LYS 8 2HE LYS 8 -11.026 4.209 10.829 66 HE3 LYS 8 1HE LYS 8 -10.372 5.490 9.810 67 HZ1 LYS 8 3HZ LYS 8 -10.178 5.370 12.774 68 HZ2 LYS 8 1HZ LYS 8 -9.518 6.577 11.783 69 HZ3 LYS 8 2HZ LYS 8 -8.936 4.995 11.686 70 H ILE 9 HN ILE 9 -11.735 9.748 7.095 71 HA ILE 9 HA ILE 9 -9.236 9.248 5.890 72 HB ILE 9 HB ILE 9 -11.837 10.281 4.686 73 HG12 ILE 9 2HG1 ILE 9 -12.047 8.031 5.640 74 HG13 ILE 9 1HG1 ILE 9 -12.084 7.917 3.881 75 HG21 ILE 9 1HG2 ILE 9 -10.975 9.594 2.460 76 HG22 ILE 9 2HG2 ILE 9 -9.393 9.282 3.179 77 HG23 ILE 9 3HG2 ILE 9 -10.041 10.923 3.151 78 HD11 ILE 9 3HD1 ILE 9 -10.758 6.137 4.873 79 HD12 ILE 9 1HD1 ILE 9 -9.702 7.314 5.651 80 HD13 ILE 9 2HD1 ILE 9 -9.742 7.186 3.889 81 H LYS 10 HN LYS 10 -10.874 12.303 6.585 82 HA LYS 10 HA LYS 10 -9.293 13.991 4.958 83 HB2 LYS 10 2HB LYS 10 -10.947 14.584 7.450 84 HB3 LYS 10 1HB LYS 10 -10.277 15.819 6.379 85 HG2 LYS 10 2HG LYS 10 -11.679 15.101 4.553 86 HG3 LYS 10 1HG LYS 10 -12.211 13.672 5.442 87 HD2 LYS 10 2HD LYS 10 -13.967 15.381 5.435 88 HD3 LYS 10 1HD LYS 10 -13.375 15.124 7.074 89 HE2 LYS 10 2HE LYS 10 -13.723 17.522 6.591 90 HE3 LYS 10 1HE LYS 10 -12.025 17.175 6.927 91 HZ1 LYS 10 3HZ LYS 10 -13.191 17.427 4.206 92 HZ2 LYS 10 1HZ LYS 10 -11.553 17.234 4.584 93 HZ3 LYS 10 2HZ LYS 10 -12.361 18.655 5.013 94 H SER 11 HN SER 11 -9.053 13.031 8.364 95 HA SER 11 HA SER 11 -6.737 14.625 8.987 96 HB2 SER 11 2HB SER 11 -7.894 12.213 10.463 97 HB3 SER 11 1HB SER 11 -6.794 13.428 11.134 98 HG SER 11 HG SER 11 -9.451 13.469 11.052 99 H LEU 12 HN LEU 12 -7.289 11.122 8.687 100 HA LEU 12 HA LEU 12 -4.877 9.981 8.745 101 HB2 LEU 12 2HB LEU 12 -6.978 8.782 8.667 102 HB3 LEU 12 1HB LEU 12 -7.305 9.367 7.042 103 HG LEU 12 HG LEU 12 -5.296 8.026 6.262 104 HD11 LEU 12 1HD1 LEU 12 -4.523 6.172 7.671 105 HD12 LEU 12 2HD1 LEU 12 -5.435 6.830 9.037 106 HD13 LEU 12 3HD1 LEU 12 -4.099 7.755 8.329 107 HD21 LEU 12 3HD2 LEU 12 -7.582 6.435 7.443 108 HD22 LEU 12 1HD2 LEU 12 -6.499 5.935 6.135 109 HD23 LEU 12 2HD2 LEU 12 -7.599 7.288 5.893 110 H ASN 13 HN ASN 13 -6.418 10.998 5.654 111 HA ASN 13 HA ASN 13 -4.216 10.072 4.075 112 HB2 ASN 13 2HB ASN 13 -6.664 11.701 3.307 113 HB3 ASN 13 1HB ASN 13 -5.428 11.236 2.140 114 HD21 ASN 13 1HD2 ASN 13 -6.707 9.221 4.809 115 HD22 ASN 13 2HD2 ASN 13 -7.396 8.026 3.779 116 H ARG 14 HN ARG 14 -4.881 13.079 5.649 117 HA ARG 14 HA ARG 14 -3.007 14.716 4.260 118 HB2 ARG 14 2HB ARG 14 -4.739 15.651 5.746 119 HB3 ARG 14 1HB ARG 14 -4.017 14.843 7.134 120 HG2 ARG 14 2HG ARG 14 -1.973 16.249 6.855 121 HG3 ARG 14 1HG ARG 14 -2.756 17.083 5.507 122 HD2 ARG 14 2HD ARG 14 -3.673 17.056 8.406 123 HD3 ARG 14 1HD ARG 14 -2.966 18.419 7.535 124 HE ARG 14 HE ARG 14 -4.958 18.450 6.129 125 HH11 ARG 14 1HH1 ARG 14 -5.258 16.762 9.207 126 HH12 ARG 14 2HH1 ARG 14 -6.989 16.853 9.216 127 HH21 ARG 14 1HH2 ARG 14 -7.215 18.553 6.155 128 HH22 ARG 14 2HH2 ARG 14 -8.093 17.871 7.488 129 H MET 15 HN MET 15 -2.744 12.560 7.067 130 HA MET 15 HA MET 15 -0.052 13.048 7.813 131 HB2 MET 15 2HB MET 15 -1.581 10.409 8.040 132 HB3 MET 15 1HB MET 15 -0.141 10.852 8.949 133 HG2 MET 15 2HG MET 15 -2.861 12.159 9.209 134 HG3 MET 15 1HG MET 15 -2.194 10.949 10.299 135 HE1 MET 15 3HE MET 15 -2.901 14.569 9.923 136 HE2 MET 15 1HE MET 15 -1.496 14.661 8.857 137 HE3 MET 15 2HE MET 15 -1.462 15.444 10.438 138 H GLN 16 HN GLN 16 -1.563 10.625 5.779 139 HA GLN 16 HA GLN 16 0.818 9.324 4.852 140 HB2 GLN 16 2HB GLN 16 -2.051 9.249 3.839 141 HB3 GLN 16 1HB GLN 16 -0.778 8.130 3.350 142 HG2 GLN 16 2HG GLN 16 -0.741 7.039 5.411 143 HG3 GLN 16 1HG GLN 16 -1.440 8.412 6.273 144 HE21 GLN 16 1HE2 GLN 16 -2.287 5.559 6.173 145 HE22 GLN 16 2HE2 GLN 16 -3.938 5.612 5.680 146 H TYR 17 HN TYR 17 -1.165 11.953 3.725 147 HA TYR 17 HA TYR 17 -0.124 12.334 1.123 148 HB2 TYR 17 2HB TYR 17 -2.006 13.730 1.974 149 HB3 TYR 17 1HB TYR 17 -0.905 14.573 3.056 150 HD1 TYR 17 HD1 TYR 17 -1.712 13.995 -0.554 151 HD2 TYR 17 HD2 TYR 17 0.411 16.452 2.229 152 HE1 TYR 17 HE1 TYR 17 -1.209 15.608 -2.345 153 HE2 TYR 17 HE2 TYR 17 0.903 18.060 0.442 154 HH TYR 17 HH TYR 17 -0.638 17.985 -2.584 155 H GLU 18 HN GLU 18 1.033 13.728 4.229 156 HA GLU 18 HA GLU 18 3.293 15.060 3.143 157 HB2 GLU 18 2HB GLU 18 2.365 15.591 5.396 158 HB3 GLU 18 1HB GLU 18 2.913 14.028 5.993 159 HG2 GLU 18 2HG GLU 18 5.263 14.711 5.596 160 HG3 GLU 18 1HG GLU 18 4.709 16.268 4.990 161 H VAL 19 HN VAL 19 2.795 11.747 4.102 162 HA VAL 19 HA VAL 19 5.568 11.005 4.246 163 HB VAL 19 HB VAL 19 3.068 9.251 4.072 164 HG11 VAL 19 1HG1 VAL 19 4.512 7.405 4.827 165 HG12 VAL 19 2HG1 VAL 19 5.918 8.479 4.811 166 HG13 VAL 19 3HG1 VAL 19 5.108 8.068 3.301 167 HG21 VAL 19 3HG2 VAL 19 3.149 10.648 6.113 168 HG22 VAL 19 1HG2 VAL 19 4.764 10.035 6.489 169 HG23 VAL 19 2HG2 VAL 19 3.367 8.945 6.501 170 H THR 20 HN THR 20 2.963 10.048 1.917 171 HA THR 20 HA THR 20 4.730 8.826 0.096 172 HB THR 20 HB THR 20 2.271 8.303 0.266 173 HG1 THR 20 HG1 THR 20 2.565 8.808 -2.428 174 HG21 THR 20 3HG2 THR 20 0.657 9.608 -1.079 175 HG22 THR 20 1HG2 THR 20 1.908 10.791 -1.459 176 HG23 THR 20 2HG2 THR 20 1.341 10.610 0.203 177 H GLN 21 HN GLN 21 3.759 12.158 0.399 178 HA GLN 21 HA GLN 21 4.354 12.887 -2.359 179 HB2 GLN 21 2HB GLN 21 2.538 13.984 -0.927 180 HB3 GLN 21 1HB GLN 21 3.815 14.752 -0.001 181 HG2 GLN 21 2HG GLN 21 3.006 16.360 -1.559 182 HG3 GLN 21 1HG GLN 21 4.596 15.845 -2.131 183 HE21 GLN 21 1HE2 GLN 21 4.167 16.477 -4.260 184 HE22 GLN 21 2HE2 GLN 21 3.049 15.639 -5.279 185 H ASN 22 HN ASN 22 5.778 13.333 0.867 186 HA ASN 22 HA ASN 22 8.076 14.823 -0.245 187 HB2 ASN 22 2HB ASN 22 6.803 15.857 1.615 188 HB3 ASN 22 1HB ASN 22 7.141 14.471 2.637 189 HD21 ASN 22 1HD2 ASN 22 9.173 14.302 3.611 190 HD22 ASN 22 2HD2 ASN 22 10.329 15.585 3.592 191 H ASN 23 HN ASN 23 7.278 11.665 0.672 192 HA ASN 23 HA ASN 23 8.343 9.762 1.216 193 HB2 ASN 23 2HB ASN 23 10.884 11.239 0.397 194 HB3 ASN 23 1HB ASN 23 10.789 9.506 0.711 195 HD21 ASN 23 1HD2 ASN 23 11.453 11.080 -1.752 196 HD22 ASN 23 2HD2 ASN 23 10.404 10.462 -2.980 197 H GLY 24 HN GLY 24 7.638 11.642 3.118 198 HA2 GLY 24 2HA GLY 24 9.712 11.953 5.116 199 HA3 GLY 24 1HA GLY 24 8.039 12.469 5.234 200 H THR 25 HN THR 25 10.022 10.739 6.867 201 HA THR 25 HA THR 25 8.460 8.257 7.210 202 HB THR 25 HB THR 25 10.419 7.560 8.691 203 HG1 THR 25 HG1 THR 25 11.233 10.142 7.974 204 HG21 THR 25 3HG2 THR 25 10.309 6.806 6.335 205 HG22 THR 25 1HG2 THR 25 11.980 7.111 6.825 206 HG23 THR 25 2HG2 THR 25 11.127 8.285 5.818 207 H GLU 26 HN GLU 26 7.126 7.993 8.939 208 HA GLU 26 HA GLU 26 6.757 10.145 10.857 209 HB2 GLU 26 2HB GLU 26 5.309 7.463 10.535 210 HB3 GLU 26 1HB GLU 26 4.811 8.768 11.607 211 HG2 GLU 26 2HG GLU 26 4.882 8.873 8.580 212 HG3 GLU 26 1HG GLU 26 3.444 8.692 9.584 213 HA PRO 27 HA PRO 27 8.692 7.715 14.254 214 HB2 PRO 27 2HB PRO 27 6.841 9.048 16.156 215 HB3 PRO 27 1HB PRO 27 8.605 9.131 16.076 216 HG2 PRO 27 2HG PRO 27 7.032 11.246 15.413 217 HG3 PRO 27 1HG PRO 27 8.594 10.943 14.622 218 HD2 PRO 27 2HD PRO 27 5.812 10.309 13.625 219 HD3 PRO 27 1HD PRO 27 7.194 11.008 12.746 220 HA PRO 28 HA PRO 28 5.379 4.633 13.965 221 HB2 PRO 28 2HB PRO 28 7.127 2.784 15.487 222 HB3 PRO 28 1HB PRO 28 6.572 2.680 13.813 223 HG2 PRO 28 2HG PRO 28 9.155 3.242 14.436 224 HG3 PRO 28 1HG PRO 28 8.358 3.898 12.990 225 HD2 PRO 28 2HD PRO 28 8.887 5.249 15.639 226 HD3 PRO 28 1HD PRO 28 9.079 5.880 13.986 227 H PHE 29 HN PHE 29 4.024 5.884 15.413 228 HA PHE 29 HA PHE 29 3.999 5.256 18.261 229 HB2 PHE 29 2HB PHE 29 2.110 6.932 16.553 230 HB3 PHE 29 1HB PHE 29 1.958 6.739 18.294 231 HD1 PHE 29 HD1 PHE 29 4.514 7.130 19.449 232 HD2 PHE 29 HD2 PHE 29 2.888 9.073 16.008 233 HE1 PHE 29 HE1 PHE 29 5.984 9.063 19.841 234 HE2 PHE 29 HE2 PHE 29 4.369 11.001 16.402 235 HZ PHE 29 HZ PHE 29 5.914 11.001 18.321 236 H GLN 30 HN GLN 30 2.319 4.246 15.339 237 HA GLN 30 HA GLN 30 0.074 2.926 16.375 238 HB2 GLN 30 2HB GLN 30 1.796 2.324 13.930 239 HB3 GLN 30 1HB GLN 30 0.334 1.410 14.293 240 HG2 GLN 30 2HG GLN 30 0.454 4.402 13.773 241 HG3 GLN 30 1HG GLN 30 -0.048 3.170 12.614 242 HE21 GLN 30 1HE2 GLN 30 -0.976 4.982 15.451 243 HE22 GLN 30 2HE2 GLN 30 -2.622 4.468 15.486 244 H ASN 31 HN ASN 31 3.242 1.516 15.547 245 HA ASN 31 HA ASN 31 3.458 0.154 18.078 246 HB2 ASN 31 2HB ASN 31 3.031 -1.427 15.528 247 HB3 ASN 31 1HB ASN 31 4.136 -2.066 16.735 248 HD21 ASN 31 1HD2 ASN 31 2.612 -1.145 19.047 249 HD22 ASN 31 2HD2 ASN 31 1.214 -2.144 19.120 250 H GLU 32 HN GLU 32 5.627 -0.565 18.443 251 HA GLU 32 HA GLU 32 7.512 1.376 17.848 252 HB2 GLU 32 2HB GLU 32 7.969 -1.477 18.828 253 HB3 GLU 32 1HB GLU 32 9.152 -0.172 18.942 254 HG2 GLU 32 2HG GLU 32 7.744 1.050 20.483 255 HG3 GLU 32 1HG GLU 32 6.417 -0.090 20.250 256 H TYR 33 HN TYR 33 7.642 -2.023 16.692 257 HA TYR 33 HA TYR 33 9.214 -1.160 14.317 258 HB2 TYR 33 2HB TYR 33 9.011 -3.924 15.600 259 HB3 TYR 33 1HB TYR 33 10.024 -3.498 14.222 260 HD1 TYR 33 HD2 TYR 33 11.916 -1.789 14.583 261 HD2 TYR 33 HD1 TYR 33 9.828 -3.640 17.833 262 HE1 TYR 33 HE2 TYR 33 13.749 -1.191 16.098 263 HE2 TYR 33 HE1 TYR 33 11.674 -3.026 19.346 264 HH TYR 33 HH TYR 33 14.110 -2.514 19.173 265 H TRP 34 HN TRP 34 6.245 -1.092 14.737 266 HA TRP 34 HA TRP 34 4.249 -1.729 13.945 267 HB2 TRP 34 2HB TRP 34 5.898 -2.445 11.485 268 HB3 TRP 34 1HB TRP 34 4.131 -2.441 11.514 269 HD1 TRP 34 HD1 TRP 34 2.913 0.002 11.803 270 HE1 TRP 34 HE1 TRP 34 3.717 2.378 11.266 271 HE3 TRP 34 HE3 TRP 34 7.936 -0.917 11.378 272 HZ2 TRP 34 HZ2 TRP 34 6.144 3.696 10.726 273 HZ3 TRP 34 HZ3 TRP 34 9.434 0.966 10.836 274 HH2 TRP 34 HH2 TRP 34 8.553 3.226 10.519 275 H ASP 35 HN ASP 35 5.003 -3.177 15.756 276 HA ASP 35 HA ASP 35 5.640 -5.884 15.498 277 HB2 ASP 35 2HB ASP 35 4.103 -4.629 17.816 278 HB3 ASP 35 1HB ASP 35 5.123 -6.065 17.872 279 H HIS 36 HN HIS 36 2.611 -4.296 15.081 280 HA HIS 36 HA HIS 36 0.842 -6.479 15.368 281 HB2 HIS 36 2HB HIS 36 -0.558 -5.159 13.593 282 HB3 HIS 36 1HB HIS 36 -0.260 -4.429 15.164 283 HD1 HIS 36 HD1 HIS 36 0.315 -2.052 15.010 284 HD2 HIS 36 HD2 HIS 36 1.539 -4.100 11.611 285 HE1 HIS 36 HE1 HIS 36 1.287 -0.307 13.487 286 HE2 HIS 36 HE2 HIS 36 1.752 -1.535 11.342 287 H LYS 37 HN LYS 37 1.829 -8.305 14.639 288 HA LYS 37 HA LYS 37 2.857 -8.541 11.873 289 HB2 LYS 37 2HB LYS 37 4.218 -9.060 14.067 290 HB3 LYS 37 1HB LYS 37 3.252 -10.528 14.156 291 HG2 LYS 37 2HG LYS 37 4.131 -11.241 11.973 292 HG3 LYS 37 1HG LYS 37 5.052 -9.736 11.848 293 HD2 LYS 37 2HD LYS 37 6.222 -10.478 14.034 294 HD3 LYS 37 1HD LYS 37 5.484 -12.063 13.755 295 HE2 LYS 37 2HE LYS 37 7.771 -12.012 12.862 296 HE3 LYS 37 1HE LYS 37 6.610 -12.168 11.543 297 HZ1 LYS 37 3HZ LYS 37 8.293 -10.559 10.977 298 HZ2 LYS 37 1HZ LYS 37 7.978 -9.666 12.379 299 HZ3 LYS 37 2HZ LYS 37 6.812 -9.763 11.161 300 H GLU 38 HN GLU 38 0.198 -8.472 11.904 301 HA GLU 38 HA GLU 38 -1.091 -10.925 12.748 302 HB2 GLU 38 2HB GLU 38 -2.238 -8.364 11.546 303 HB3 GLU 38 1HB GLU 38 -3.159 -9.641 12.348 304 HG2 GLU 38 2HG GLU 38 -2.112 -9.172 14.469 305 HG3 GLU 38 1HG GLU 38 -0.969 -8.055 13.725 306 H GLU 39 HN GLU 39 -1.818 -12.506 11.480 307 HA GLU 39 HA GLU 39 -1.159 -12.594 8.661 308 HB2 GLU 39 2HB GLU 39 -1.931 -14.962 8.806 309 HB3 GLU 39 1HB GLU 39 -0.739 -14.565 10.038 310 HG2 GLU 39 2HG GLU 39 -2.553 -14.349 11.713 311 HG3 GLU 39 1HG GLU 39 -3.741 -14.758 10.476 312 H GLY 40 HN GLY 40 -2.585 -12.652 6.945 313 HA2 GLY 40 2HA GLY 40 -5.214 -12.805 6.577 314 HA3 GLY 40 1HA GLY 40 -5.120 -11.255 7.406 315 H LEU 41 HN LEU 41 -4.882 -9.491 6.103 316 HA LEU 41 HA LEU 41 -3.580 -9.830 3.457 317 HB2 LEU 41 2HB LEU 41 -6.017 -8.171 4.185 318 HB3 LEU 41 1HB LEU 41 -5.100 -7.906 2.708 319 HG LEU 41 HG LEU 41 -6.570 -10.482 3.416 320 HD11 LEU 41 1HD1 LEU 41 -7.254 -8.370 1.359 321 HD12 LEU 41 2HD1 LEU 41 -8.071 -8.602 2.908 322 HD13 LEU 41 3HD1 LEU 41 -8.142 -9.865 1.682 323 HD21 LEU 41 3HD2 LEU 41 -5.085 -9.726 0.871 324 HD22 LEU 41 1HD2 LEU 41 -6.092 -11.167 1.087 325 HD23 LEU 41 2HD2 LEU 41 -4.618 -10.975 2.030 326 H TYR 42 HN TYR 42 -2.965 -7.740 2.519 327 HA TYR 42 HA TYR 42 -1.682 -5.822 4.386 328 HB2 TYR 42 2HB TYR 42 0.015 -7.204 3.321 329 HB3 TYR 42 1HB TYR 42 -0.760 -7.089 1.756 330 HD1 TYR 42 HD1 TYR 42 -0.469 -5.010 0.372 331 HD2 TYR 42 HD2 TYR 42 1.585 -5.502 4.078 332 HE1 TYR 42 HE1 TYR 42 1.146 -3.291 -0.299 333 HE2 TYR 42 HE2 TYR 42 3.195 -3.771 3.412 334 HH TYR 42 HH TYR 42 2.717 -1.729 0.754 335 H VAL 43 HN VAL 43 -2.780 -3.866 4.178 336 HA VAL 43 HA VAL 43 -4.018 -3.193 1.576 337 HB VAL 43 HB VAL 43 -6.153 -2.585 2.496 338 HG11 VAL 43 1HG1 VAL 43 -5.951 -4.969 1.957 339 HG12 VAL 43 2HG1 VAL 43 -7.087 -4.726 3.286 340 HG13 VAL 43 3HG1 VAL 43 -5.457 -5.316 3.621 341 HG21 VAL 43 3HG2 VAL 43 -6.793 -2.802 4.881 342 HG22 VAL 43 1HG2 VAL 43 -5.493 -1.636 4.654 343 HG23 VAL 43 2HG2 VAL 43 -5.131 -3.244 5.287 344 H ASP 44 HN ASP 44 -4.562 -1.003 1.330 345 HA ASP 44 HA ASP 44 -2.928 0.946 2.736 346 HB2 ASP 44 2HB ASP 44 -3.921 2.557 1.095 347 HB3 ASP 44 1HB ASP 44 -3.202 1.161 0.298 348 H ILE 45 HN ILE 45 -3.677 2.196 4.392 349 HA ILE 45 HA ILE 45 -6.312 1.933 5.436 350 HB ILE 45 HB ILE 45 -4.622 4.328 6.200 351 HG12 ILE 45 2HG1 ILE 45 -4.149 1.516 7.281 352 HG13 ILE 45 1HG1 ILE 45 -3.116 2.281 6.078 353 HG21 ILE 45 1HG2 ILE 45 -6.397 2.478 7.856 354 HG22 ILE 45 2HG2 ILE 45 -6.865 4.066 7.245 355 HG23 ILE 45 3HG2 ILE 45 -5.578 3.925 8.445 356 HD11 ILE 45 3HD1 ILE 45 -2.584 4.050 7.696 357 HD12 ILE 45 1HD1 ILE 45 -2.136 2.441 8.256 358 HD13 ILE 45 2HD1 ILE 45 -3.579 3.222 8.900 359 H VAL 46 HN VAL 46 -5.045 4.048 3.011 360 HA VAL 46 HA VAL 46 -6.705 6.311 3.270 361 HB VAL 46 HB VAL 46 -6.106 6.876 0.911 362 HG11 VAL 46 1HG1 VAL 46 -3.664 7.069 1.241 363 HG12 VAL 46 2HG1 VAL 46 -3.742 5.879 2.546 364 HG13 VAL 46 3HG1 VAL 46 -4.544 7.439 2.733 365 HG21 VAL 46 3HG2 VAL 46 -6.146 4.628 -0.101 366 HG22 VAL 46 1HG2 VAL 46 -4.746 4.152 0.862 367 HG23 VAL 46 2HG2 VAL 46 -4.582 5.397 -0.382 368 H SER 47 HN SER 47 -7.391 3.227 1.783 369 HA SER 47 HA SER 47 -10.151 4.070 1.138 370 HB2 SER 47 2HB SER 47 -8.902 4.111 -0.991 371 HB3 SER 47 1HB SER 47 -8.304 2.478 -0.707 372 HG SER 47 HG SER 47 -10.053 2.419 -2.106 373 H GLY 48 HN GLY 48 -7.831 1.509 1.802 374 HA2 GLY 48 2HA GLY 48 -8.107 -0.303 3.273 375 HA3 GLY 48 1HA GLY 48 -9.847 -0.053 3.260 376 H LYS 49 HN LYS 49 -7.536 -0.523 0.591 377 HA LYS 49 HA LYS 49 -9.329 -2.613 -0.484 378 HB2 LYS 49 2HB LYS 49 -8.610 -0.329 -1.730 379 HB3 LYS 49 1HB LYS 49 -7.201 -1.282 -2.169 380 HG2 LYS 49 2HG LYS 49 -8.783 -1.447 -3.953 381 HG3 LYS 49 1HG LYS 49 -8.760 -3.016 -3.138 382 HD2 LYS 49 2HD LYS 49 -10.824 -2.471 -1.950 383 HD3 LYS 49 1HD LYS 49 -10.818 -0.830 -2.611 384 HE2 LYS 49 2HE LYS 49 -11.135 -3.395 -4.208 385 HE3 LYS 49 1HE LYS 49 -12.433 -2.283 -3.768 386 HZ1 LYS 49 3HZ LYS 49 -11.686 -1.907 -6.028 387 HZ2 LYS 49 1HZ LYS 49 -10.107 -1.620 -5.490 388 HZ3 LYS 49 2HZ LYS 49 -11.346 -0.557 -5.066 389 HA PRO 50 HA PRO 50 -6.016 -5.649 0.284 390 HB2 PRO 50 2HB PRO 50 -7.255 -7.027 -2.097 391 HB3 PRO 50 1HB PRO 50 -6.877 -7.676 -0.493 392 HG2 PRO 50 2HG PRO 50 -9.403 -7.128 -1.153 393 HG3 PRO 50 1HG PRO 50 -8.802 -6.758 0.476 394 HD2 PRO 50 2HD PRO 50 -9.255 -4.887 -1.844 395 HD3 PRO 50 1HD PRO 50 -9.604 -4.654 -0.114 396 H LEU 51 HN LEU 51 -3.982 -5.282 -0.365 397 HA LEU 51 HA LEU 51 -3.353 -4.520 -3.175 398 HB2 LEU 51 2HB LEU 51 -1.736 -3.998 -0.647 399 HB3 LEU 51 1HB LEU 51 -1.402 -3.367 -2.261 400 HG LEU 51 HG LEU 51 -3.740 -2.624 -0.460 401 HD11 LEU 51 1HD1 LEU 51 -2.707 -0.394 -0.421 402 HD12 LEU 51 2HD1 LEU 51 -1.346 -0.994 -1.371 403 HD13 LEU 51 3HD1 LEU 51 -1.638 -1.624 0.254 404 HD21 LEU 51 3HD2 LEU 51 -3.133 -1.659 -3.281 405 HD22 LEU 51 1HD2 LEU 51 -4.384 -1.010 -2.214 406 HD23 LEU 51 2HD2 LEU 51 -4.495 -2.668 -2.788 407 H PHE 52 HN PHE 52 -2.653 -6.624 -0.557 408 HA PHE 52 HA PHE 52 -1.266 -8.598 -2.109 409 HB2 PHE 52 2HB PHE 52 0.557 -6.891 -1.734 410 HB3 PHE 52 1HB PHE 52 0.307 -7.022 -0.006 411 HD1 PHE 52 HD1 PHE 52 1.401 -8.959 -3.002 412 HD2 PHE 52 HD2 PHE 52 1.526 -8.619 1.254 413 HE1 PHE 52 HE1 PHE 52 3.126 -10.701 -2.906 414 HE2 PHE 52 HE2 PHE 52 3.247 -10.371 1.334 415 HZ PHE 52 HZ PHE 52 4.045 -11.409 -0.745 416 H THR 53 HN THR 53 -0.495 -10.391 -0.398 417 HA THR 53 HA THR 53 -2.608 -10.520 1.698 418 HB THR 53 HB THR 53 -1.197 -12.810 0.254 419 HG1 THR 53 HG1 THR 53 -2.587 -11.501 -1.107 420 HG21 THR 53 3HG2 THR 53 -3.677 -12.817 2.005 421 HG22 THR 53 1HG2 THR 53 -2.095 -13.464 2.451 422 HG23 THR 53 2HG2 THR 53 -3.015 -14.206 1.141 423 H SER 54 HN SER 54 -2.032 -11.027 3.777 424 HA SER 54 HA SER 54 0.738 -10.719 4.530 425 HB2 SER 54 2HB SER 54 -1.119 -9.579 5.788 426 HB3 SER 54 1HB SER 54 -1.639 -11.154 6.384 427 HG SER 54 HG SER 54 0.169 -11.316 7.588 428 H LYS 55 HN LYS 55 -1.357 -13.451 3.998 429 HA LYS 55 HA LYS 55 0.135 -15.370 5.480 430 HB2 LYS 55 2HB LYS 55 -1.140 -17.007 4.447 431 HB3 LYS 55 1HB LYS 55 -2.166 -15.612 4.173 432 HG2 LYS 55 2HG LYS 55 -1.100 -15.439 1.858 433 HG3 LYS 55 1HG LYS 55 -0.362 -17.008 2.182 434 HD2 LYS 55 2HD LYS 55 -2.702 -17.927 2.559 435 HD3 LYS 55 1HD LYS 55 -3.333 -16.373 2.002 436 HE2 LYS 55 2HE LYS 55 -1.665 -18.346 0.399 437 HE3 LYS 55 1HE LYS 55 -3.372 -17.970 0.166 438 HZ1 LYS 55 3HZ LYS 55 -1.080 -16.138 -0.301 439 HZ2 LYS 55 1HZ LYS 55 -2.703 -15.698 -0.435 440 HZ3 LYS 55 2HZ LYS 55 -2.057 -16.858 -1.477 441 H ASP 56 HN ASP 56 0.945 -13.538 2.710 442 HA ASP 56 HA ASP 56 3.414 -15.105 2.174 443 HB2 ASP 56 2HB ASP 56 1.997 -13.030 0.433 444 HB3 ASP 56 1HB ASP 56 3.471 -13.893 -0.007 445 H LYS 57 HN LYS 57 2.837 -13.078 4.371 446 HA LYS 57 HA LYS 57 4.169 -10.620 3.716 447 HB2 LYS 57 2HB LYS 57 2.452 -10.648 5.444 448 HB3 LYS 57 1HB LYS 57 3.331 -11.838 6.385 449 HG2 LYS 57 2HG LYS 57 3.589 -9.735 7.478 450 HG3 LYS 57 1HG LYS 57 5.142 -10.125 6.736 451 HD2 LYS 57 2HD LYS 57 4.597 -8.592 4.851 452 HD3 LYS 57 1HD LYS 57 3.068 -8.185 5.642 453 HE2 LYS 57 2HE LYS 57 5.863 -7.652 6.719 454 HE3 LYS 57 1HE LYS 57 4.733 -6.453 6.088 455 HZ1 LYS 57 3HZ LYS 57 4.659 -6.399 8.458 456 HZ2 LYS 57 1HZ LYS 57 4.409 -8.069 8.560 457 HZ3 LYS 57 2HZ LYS 57 3.203 -7.075 7.925 458 H PHE 58 HN PHE 58 6.296 -10.407 3.484 459 HA PHE 58 HA PHE 58 8.113 -11.548 5.526 460 HB2 PHE 58 2HB PHE 58 8.727 -11.028 2.565 461 HB3 PHE 58 1HB PHE 58 9.931 -11.459 3.775 462 HD1 PHE 58 HD2 PHE 58 6.949 -12.725 1.926 463 HD2 PHE 58 HD1 PHE 58 10.288 -13.758 4.386 464 HE1 PHE 58 HE2 PHE 58 6.560 -15.106 1.465 465 HE2 PHE 58 HE1 PHE 58 9.896 -16.138 3.914 466 HZ PHE 58 HZ PHE 58 8.032 -16.815 2.456 467 H ASP 59 HN ASP 59 9.276 -9.950 6.593 468 HA ASP 59 HA ASP 59 8.507 -7.192 6.103 469 HB2 ASP 59 2HB ASP 59 10.437 -8.326 8.177 470 HB3 ASP 59 1HB ASP 59 9.777 -6.692 8.161 471 H SER 60 HN SER 60 9.537 -5.933 4.746 472 HA SER 60 HA SER 60 12.173 -6.615 3.695 473 HB2 SER 60 2HB SER 60 10.384 -6.035 2.099 474 HB3 SER 60 1HB SER 60 10.199 -4.449 2.851 475 HG SER 60 HG SER 60 11.628 -4.739 0.872 476 H GLN 61 HN GLN 61 13.982 -5.393 3.947 477 HA GLN 61 HA GLN 61 14.080 -3.593 6.233 478 HB2 GLN 61 2HB GLN 61 16.321 -4.760 4.530 479 HB3 GLN 61 1HB GLN 61 16.543 -3.827 6.011 480 HG2 GLN 61 2HG GLN 61 15.324 -5.585 7.282 481 HG3 GLN 61 1HG GLN 61 15.148 -6.521 5.796 482 HE21 GLN 61 1HE2 GLN 61 16.274 -8.281 6.687 483 HE22 GLN 61 2HE2 GLN 61 17.987 -8.254 6.930 484 H CYS 62 HN CYS 62 13.171 -2.943 3.261 485 HA CYS 62 HA CYS 62 14.883 -0.764 2.434 486 HB2 CYS 62 2HB CYS 62 12.104 -1.557 1.456 487 HB3 CYS 62 1HB CYS 62 13.244 -0.503 0.616 488 HG CYS 62 HG CYS 62 14.034 -3.741 1.338 489 H GLY 63 HN GLY 63 13.409 -0.615 5.146 490 HA2 GLY 63 2HA GLY 63 12.920 1.264 6.438 491 HA3 GLY 63 1HA GLY 63 12.627 2.199 4.979 492 H TRP 64 HN TRP 64 10.690 1.207 3.667 493 HA TRP 64 HA TRP 64 8.401 0.713 5.483 494 HB2 TRP 64 2HB TRP 64 8.441 1.898 2.667 495 HB3 TRP 64 1HB TRP 64 6.978 1.582 3.598 496 HD1 TRP 64 HD1 TRP 64 8.214 2.749 6.409 497 HE1 TRP 64 HE1 TRP 64 8.361 5.288 6.707 498 HE3 TRP 64 HE3 TRP 64 8.016 4.167 1.495 499 HZ2 TRP 64 HZ2 TRP 64 8.405 7.591 5.101 500 HZ3 TRP 64 HZ3 TRP 64 8.117 6.572 0.974 501 HH2 TRP 64 HH2 TRP 64 8.304 8.248 2.738 502 HA PRO 65 HA PRO 65 7.919 -3.463 3.940 503 HB2 PRO 65 2HB PRO 65 4.970 -2.853 3.745 504 HB3 PRO 65 1HB PRO 65 5.789 -4.192 4.562 505 HG2 PRO 65 2HG PRO 65 4.805 -2.170 5.987 506 HG3 PRO 65 1HG PRO 65 6.374 -2.887 6.416 507 HD2 PRO 65 2HD PRO 65 5.797 -0.303 4.973 508 HD3 PRO 65 1HD PRO 65 7.027 -0.658 6.208 509 H SER 66 HN SER 66 8.476 -4.026 1.931 510 HA SER 66 HA SER 66 7.020 -2.964 -0.394 511 HB2 SER 66 2HB SER 66 9.204 -2.720 -1.589 512 HB3 SER 66 1HB SER 66 9.064 -1.641 -0.202 513 HG SER 66 HG SER 66 10.521 -2.803 0.885 514 H PHE 67 HN PHE 67 6.511 -4.438 -1.856 515 HA PHE 67 HA PHE 67 7.657 -7.162 -1.830 516 HB2 PHE 67 2HB PHE 67 4.714 -6.351 -2.097 517 HB3 PHE 67 1HB PHE 67 5.320 -7.992 -2.317 518 HD1 PHE 67 HD2 PHE 67 6.635 -9.040 -0.338 519 HD2 PHE 67 HD1 PHE 67 4.059 -5.656 0.082 520 HE1 PHE 67 HE2 PHE 67 6.493 -9.443 2.076 521 HE2 PHE 67 HE1 PHE 67 3.941 -6.064 2.501 522 HZ PHE 67 HZ PHE 67 5.156 -7.951 3.496 523 H THR 68 HN THR 68 6.738 -8.291 -4.016 524 HA THR 68 HA THR 68 7.227 -6.389 -6.240 525 HB THR 68 HB THR 68 8.826 -8.199 -6.223 526 HG1 THR 68 HG1 THR 68 6.885 -8.612 -8.290 527 HG21 THR 68 3HG2 THR 68 6.469 -10.125 -6.303 528 HG22 THR 68 1HG2 THR 68 7.574 -9.888 -4.947 529 HG23 THR 68 2HG2 THR 68 8.168 -10.576 -6.459 530 H LYS 69 HN LYS 69 4.632 -7.885 -4.722 531 HA LYS 69 HA LYS 69 3.090 -8.244 -7.231 532 HB2 LYS 69 2HB LYS 69 3.389 -10.369 -6.080 533 HB3 LYS 69 1HB LYS 69 2.820 -9.688 -4.567 534 HG2 LYS 69 2HG LYS 69 1.128 -11.142 -5.631 535 HG3 LYS 69 1HG LYS 69 0.556 -9.486 -5.438 536 HD2 LYS 69 2HD LYS 69 -0.126 -10.357 -7.625 537 HD3 LYS 69 1HD LYS 69 1.025 -9.042 -7.836 538 HE2 LYS 69 2HE LYS 69 2.833 -10.752 -8.175 539 HE3 LYS 69 1HE LYS 69 1.601 -12.015 -8.110 540 HZ1 LYS 69 3HZ LYS 69 1.703 -9.791 -10.077 541 HZ2 LYS 69 1HZ LYS 69 0.549 -11.026 -10.037 542 HZ3 LYS 69 2HZ LYS 69 2.163 -11.390 -10.373 543 HA PRO 70 HA PRO 70 0.261 -5.187 -5.353 544 HB2 PRO 70 2HB PRO 70 -0.070 -3.587 -7.510 545 HB3 PRO 70 1HB PRO 70 1.350 -3.455 -6.471 546 HG2 PRO 70 2HG PRO 70 1.116 -4.632 -9.200 547 HG3 PRO 70 1HG PRO 70 2.500 -3.825 -8.442 548 HD2 PRO 70 2HD PRO 70 2.057 -6.656 -8.655 549 HD3 PRO 70 1HD PRO 70 3.360 -5.843 -7.763 550 H ILE 71 HN ILE 71 -1.829 -5.932 -5.257 551 HA ILE 71 HA ILE 71 -3.250 -7.245 -7.313 552 HB ILE 71 HB ILE 71 -4.207 -5.731 -4.845 553 HG12 ILE 71 2HG1 ILE 71 -4.181 -8.716 -5.526 554 HG13 ILE 71 1HG1 ILE 71 -2.979 -7.906 -4.529 555 HG21 ILE 71 1HG2 ILE 71 -6.488 -6.661 -5.229 556 HG22 ILE 71 2HG2 ILE 71 -5.971 -7.269 -6.804 557 HG23 ILE 71 3HG2 ILE 71 -6.020 -5.531 -6.505 558 HD11 ILE 71 3HD1 ILE 71 -4.600 -9.192 -3.235 559 HD12 ILE 71 1HD1 ILE 71 -5.905 -8.180 -3.846 560 HD13 ILE 71 2HD1 ILE 71 -4.647 -7.479 -2.824 561 H GLU 72 HN GLU 72 -3.962 -6.466 -9.133 562 HA GLU 72 HA GLU 72 -2.994 -3.852 -9.911 563 HB2 GLU 72 2HB GLU 72 -3.288 -4.586 -12.197 564 HB3 GLU 72 1HB GLU 72 -2.601 -5.922 -11.283 565 HG2 GLU 72 2HG GLU 72 -5.535 -5.664 -12.053 566 HG3 GLU 72 1HG GLU 72 -4.341 -6.612 -12.936 567 H GLU 73 HN GLU 73 -5.985 -5.144 -8.992 568 HA GLU 73 HA GLU 73 -7.895 -3.840 -10.531 569 HB2 GLU 73 2HB GLU 73 -8.399 -5.657 -8.929 570 HB3 GLU 73 1HB GLU 73 -8.021 -4.593 -7.578 571 HG2 GLU 73 2HG GLU 73 -9.936 -3.138 -8.232 572 HG3 GLU 73 1HG GLU 73 -10.327 -4.262 -9.528 573 H GLU 74 HN GLU 74 -6.371 -2.741 -7.475 574 HA GLU 74 HA GLU 74 -7.706 -0.121 -7.697 575 HB2 GLU 74 2HB GLU 74 -7.770 -1.420 -5.528 576 HB3 GLU 74 1HB GLU 74 -6.029 -1.222 -5.397 577 HG2 GLU 74 2HG GLU 74 -7.136 0.396 -3.976 578 HG3 GLU 74 1HG GLU 74 -6.332 1.241 -5.298 579 H VAL 75 HN VAL 75 -4.545 -1.612 -8.003 580 HA VAL 75 HA VAL 75 -3.084 0.803 -7.325 581 HB VAL 75 HB VAL 75 -2.178 -1.996 -8.118 582 HG11 VAL 75 1HG1 VAL 75 0.069 -1.294 -7.318 583 HG12 VAL 75 2HG1 VAL 75 -0.529 0.362 -7.146 584 HG13 VAL 75 3HG1 VAL 75 -0.450 -0.393 -8.740 585 HG21 VAL 75 3HG2 VAL 75 -3.334 -1.939 -5.955 586 HG22 VAL 75 1HG2 VAL 75 -2.267 -0.635 -5.401 587 HG23 VAL 75 2HG2 VAL 75 -1.611 -2.244 -5.725 588 H GLU 76 HN GLU 76 -2.576 2.227 -8.822 589 HA GLU 76 HA GLU 76 -2.491 1.464 -11.686 590 HB2 GLU 76 2HB GLU 76 -4.356 3.014 -11.231 591 HB3 GLU 76 1HB GLU 76 -3.264 4.130 -10.421 592 HG2 GLU 76 2HG GLU 76 -3.798 4.967 -12.634 593 HG3 GLU 76 1HG GLU 76 -2.091 4.553 -12.554 594 H GLU 77 HN GLU 77 -0.521 1.539 -12.513 595 HA GLU 77 HA GLU 77 1.718 2.743 -11.137 596 HB2 GLU 77 2HB GLU 77 3.031 1.848 -13.113 597 HB3 GLU 77 1HB GLU 77 2.115 0.634 -12.227 598 HG2 GLU 77 2HG GLU 77 0.325 0.763 -13.986 599 HG3 GLU 77 1HG GLU 77 1.360 1.870 -14.888 600 H LYS 78 HN LYS 78 2.527 4.709 -11.513 601 HA LYS 78 HA LYS 78 1.484 6.359 -13.748 602 HB2 LYS 78 2HB LYS 78 0.312 6.879 -11.597 603 HB3 LYS 78 1HB LYS 78 1.865 7.164 -10.820 604 HG2 LYS 78 2HG LYS 78 2.227 9.052 -12.485 605 HG3 LYS 78 1HG LYS 78 0.548 8.815 -12.989 606 HD2 LYS 78 2HD LYS 78 -0.087 9.175 -10.521 607 HD3 LYS 78 1HD LYS 78 1.582 9.703 -10.266 608 HE2 LYS 78 2HE LYS 78 0.138 11.637 -10.598 609 HE3 LYS 78 1HE LYS 78 1.231 11.487 -11.978 610 HZ1 LYS 78 3HZ LYS 78 -1.584 10.537 -11.905 611 HZ2 LYS 78 1HZ LYS 78 -0.550 10.476 -13.241 612 HZ3 LYS 78 2HZ LYS 78 -1.060 11.969 -12.634 613 H LEU 79 HN LEU 79 3.330 6.441 -14.986 614 HA LEU 79 HA LEU 79 5.958 6.294 -13.987 615 HB2 LEU 79 2HB LEU 79 5.237 5.695 -16.334 616 HB3 LEU 79 1HB LEU 79 5.104 7.413 -16.682 617 HG LEU 79 HG LEU 79 7.578 7.643 -16.121 618 HD11 LEU 79 1HD1 LEU 79 7.837 5.624 -14.738 619 HD12 LEU 79 2HD1 LEU 79 8.988 5.650 -16.070 620 HD13 LEU 79 3HD1 LEU 79 7.564 4.605 -16.162 621 HD21 LEU 79 3HD2 LEU 79 6.897 5.784 -18.422 622 HD22 LEU 79 1HD2 LEU 79 8.378 6.733 -18.258 623 HD23 LEU 79 2HD2 LEU 79 6.827 7.547 -18.448 624 H ASP 80 HN ASP 80 7.267 7.809 -13.230 625 HA ASP 80 HA ASP 80 6.636 10.672 -13.395 626 HB2 ASP 80 2HB ASP 80 5.757 9.883 -11.222 627 HB3 ASP 80 1HB ASP 80 7.293 9.102 -10.848 628 H THR 81 HN THR 81 8.376 11.600 -14.318 629 HA THR 81 HA THR 81 11.091 10.620 -13.757 630 HB THR 81 HB THR 81 10.286 12.996 -15.510 631 HG1 THR 81 HG1 THR 81 9.504 10.668 -16.025 632 HG21 THR 81 3HG2 THR 81 12.807 11.280 -15.465 633 HG22 THR 81 1HG2 THR 81 12.678 12.939 -14.868 634 HG23 THR 81 2HG2 THR 81 12.477 12.602 -16.589 635 H SER 82 HN SER 82 11.743 11.241 -11.769 636 HA SER 82 HA SER 82 10.693 13.400 -10.273 637 HB2 SER 82 2HB SER 82 11.696 11.358 -9.247 638 HB3 SER 82 1HB SER 82 13.287 11.837 -9.842 639 HG SER 82 HG SER 82 11.821 13.629 -8.241 640 H HIS 83 HN HIS 83 14.002 12.985 -11.554 641 HA HIS 83 HA HIS 83 14.249 15.261 -13.093 642 HB2 HIS 83 2HB HIS 83 14.043 16.486 -10.828 643 HB3 HIS 83 1HB HIS 83 15.590 15.776 -10.384 644 HD1 HIS 83 HD1 HIS 83 14.032 18.302 -12.678 645 HD2 HIS 83 HD2 HIS 83 17.833 17.032 -11.578 646 HE1 HIS 83 HE1 HIS 83 15.609 20.006 -13.630 647 HE2 HIS 83 HE2 HIS 83 17.910 19.127 -13.096 648 H GLY 84 HN GLY 84 15.430 13.906 -14.406 649 HA2 GLY 84 2HA GLY 84 17.390 12.955 -15.224 650 HA3 GLY 84 1HA GLY 84 18.166 13.219 -13.672 651 H MET 85 HN MET 85 16.005 11.814 -12.210 652 HA MET 85 HA MET 85 16.622 9.018 -12.784 653 HB2 MET 85 2HB MET 85 16.778 9.752 -10.436 654 HB3 MET 85 1HB MET 85 15.128 10.358 -10.471 655 HG2 MET 85 2HG MET 85 14.325 8.017 -10.812 656 HG3 MET 85 1HG MET 85 15.989 7.452 -10.656 657 HE1 MET 85 3HE MET 85 17.404 7.636 -8.387 658 HE2 MET 85 1HE MET 85 16.784 8.355 -6.902 659 HE3 MET 85 2HE MET 85 17.123 9.376 -8.301 660 H ILE 86 HN ILE 86 15.171 7.678 -13.695 661 HA ILE 86 HA ILE 86 12.385 8.539 -14.112 662 HB ILE 86 HB ILE 86 13.653 7.953 -16.183 663 HG12 ILE 86 2HG1 ILE 86 11.970 6.358 -17.159 664 HG13 ILE 86 1HG1 ILE 86 11.380 6.012 -15.531 665 HG21 ILE 86 1HG2 ILE 86 13.885 5.154 -15.029 666 HG22 ILE 86 2HG2 ILE 86 15.208 6.285 -15.307 667 HG23 ILE 86 3HG2 ILE 86 14.315 5.626 -16.676 668 HD11 ILE 86 3HD1 ILE 86 10.720 8.361 -15.299 669 HD12 ILE 86 1HD1 ILE 86 9.943 7.584 -16.677 670 HD13 ILE 86 2HD1 ILE 86 11.298 8.681 -16.934 671 H ARG 87 HN ARG 87 10.703 7.247 -13.331 672 HA ARG 87 HA ARG 87 11.000 4.787 -11.942 673 HB2 ARG 87 2HB ARG 87 10.584 5.685 -9.615 674 HB3 ARG 87 1HB ARG 87 12.166 6.116 -10.251 675 HG2 ARG 87 2HG ARG 87 11.230 8.386 -10.852 676 HG3 ARG 87 1HG ARG 87 9.744 7.937 -10.007 677 HD2 ARG 87 2HD ARG 87 12.528 8.174 -8.790 678 HD3 ARG 87 1HD ARG 87 11.176 9.286 -8.548 679 HE ARG 87 HE ARG 87 10.001 7.356 -7.502 680 HH11 ARG 87 1HH1 ARG 87 13.494 7.567 -7.327 681 HH12 ARG 87 2HH1 ARG 87 13.616 6.442 -6.014 682 HH21 ARG 87 1HH2 ARG 87 10.160 5.893 -5.791 683 HH22 ARG 87 2HH2 ARG 87 11.715 5.501 -5.128 684 H THR 88 HN THR 88 8.868 4.501 -10.537 685 HA THR 88 HA THR 88 6.633 6.022 -11.690 686 HB THR 88 HB THR 88 6.409 4.313 -13.227 687 HG1 THR 88 HG1 THR 88 4.672 2.976 -12.559 688 HG21 THR 88 3HG2 THR 88 8.228 2.875 -12.535 689 HG22 THR 88 1HG2 THR 88 6.790 1.895 -12.818 690 HG23 THR 88 2HG2 THR 88 7.292 2.275 -11.173 691 H GLU 89 HN GLU 89 4.885 6.227 -10.383 692 HA GLU 89 HA GLU 89 5.081 5.208 -7.611 693 HB2 GLU 89 2HB GLU 89 3.853 7.361 -6.976 694 HB3 GLU 89 1HB GLU 89 5.523 7.553 -7.499 695 HG2 GLU 89 2HG GLU 89 4.702 8.233 -9.761 696 HG3 GLU 89 1HG GLU 89 3.046 8.115 -9.160 697 H VAL 90 HN VAL 90 3.057 4.578 -6.604 698 HA VAL 90 HA VAL 90 1.075 3.819 -8.664 699 HB VAL 90 HB VAL 90 0.484 1.886 -7.128 700 HG11 VAL 90 1HG1 VAL 90 2.364 0.482 -7.930 701 HG12 VAL 90 2HG1 VAL 90 3.264 1.947 -8.347 702 HG13 VAL 90 3HG1 VAL 90 1.752 1.565 -9.181 703 HG21 VAL 90 3HG2 VAL 90 2.181 1.106 -5.508 704 HG22 VAL 90 1HG2 VAL 90 1.534 2.683 -5.037 705 HG23 VAL 90 2HG2 VAL 90 3.130 2.568 -5.786 706 H ARG 91 HN ARG 91 -0.683 4.875 -8.570 707 HA ARG 91 HA ARG 91 -2.245 5.362 -6.303 708 HB2 ARG 91 2HB ARG 91 -2.109 7.905 -6.333 709 HB3 ARG 91 1HB ARG 91 -0.710 7.066 -5.674 710 HG2 ARG 91 2HG ARG 91 0.296 7.351 -8.077 711 HG3 ARG 91 1HG ARG 91 -0.963 8.576 -8.273 712 HD2 ARG 91 2HD ARG 91 1.098 9.643 -7.543 713 HD3 ARG 91 1HD ARG 91 -0.095 9.746 -6.242 714 HE ARG 91 HE ARG 91 1.326 7.451 -5.722 715 HH11 ARG 91 1HH1 ARG 91 2.234 10.829 -6.062 716 HH12 ARG 91 2HH1 ARG 91 3.606 10.678 -5.013 717 HH21 ARG 91 1HH2 ARG 91 3.128 7.277 -4.387 718 HH22 ARG 91 2HH2 ARG 91 4.126 8.666 -4.081 719 H SER 92 HN SER 92 -4.295 5.971 -6.761 720 HA SER 92 HA SER 92 -5.286 5.927 -9.449 721 HB2 SER 92 2HB SER 92 -6.607 5.214 -7.428 722 HB3 SER 92 1HB SER 92 -6.721 6.894 -6.925 723 HG SER 92 HG SER 92 -8.067 5.508 -8.883 724 H ARG 93 HN ARG 93 -6.991 7.842 -9.945 725 HA ARG 93 HA ARG 93 -5.368 10.014 -10.785 726 HB2 ARG 93 2HB ARG 93 -8.413 9.928 -10.751 727 HB3 ARG 93 1HB ARG 93 -7.394 10.970 -11.750 728 HG2 ARG 93 2HG ARG 93 -6.551 8.951 -12.932 729 HG3 ARG 93 1HG ARG 93 -7.609 7.940 -11.944 730 HD2 ARG 93 2HD ARG 93 -8.468 10.065 -13.936 731 HD3 ARG 93 1HD ARG 93 -8.621 8.316 -14.126 732 HE ARG 93 HE ARG 93 -10.004 9.516 -11.844 733 HH11 ARG 93 1HH1 ARG 93 -10.302 8.204 -15.080 734 HH12 ARG 93 2HH1 ARG 93 -12.031 8.136 -15.027 735 HH21 ARG 93 1HH2 ARG 93 -12.292 9.451 -11.801 736 HH22 ARG 93 2HH2 ARG 93 -13.156 8.845 -13.177 737 H THR 94 HN THR 94 -8.257 10.123 -8.531 738 HA THR 94 HA THR 94 -7.169 12.581 -7.355 739 HB THR 94 HB THR 94 -9.788 11.150 -6.728 740 HG1 THR 94 HG1 THR 94 -10.709 12.644 -8.125 741 HG21 THR 94 3HG2 THR 94 -9.101 12.649 -4.884 742 HG22 THR 94 1HG2 THR 94 -10.488 13.318 -5.746 743 HG23 THR 94 2HG2 THR 94 -8.874 13.974 -6.030 744 H ALA 95 HN ALA 95 -8.682 9.730 -5.658 745 HA ALA 95 HA ALA 95 -6.597 9.974 -3.558 746 HB1 ALA 95 3HB ALA 95 -8.292 10.054 -1.803 747 HB2 ALA 95 1HB ALA 95 -9.576 10.025 -3.017 748 HB3 ALA 95 2HB ALA 95 -8.484 11.407 -2.918 749 H ASP 96 HN ASP 96 -8.394 7.862 -5.472 750 HA ASP 96 HA ASP 96 -9.562 6.145 -3.525 751 HB2 ASP 96 2HB ASP 96 -9.137 5.614 -6.498 752 HB3 ASP 96 1HB ASP 96 -10.336 4.843 -5.455 753 H SER 97 HN SER 97 -6.505 6.207 -4.982 754 HA SER 97 HA SER 97 -5.628 3.725 -3.707 755 HB2 SER 97 2HB SER 97 -6.124 3.152 -6.076 756 HB3 SER 97 1HB SER 97 -5.063 4.439 -6.615 757 HG SER 97 HG SER 97 -4.458 1.945 -5.564 758 H HIS 98 HN HIS 98 -5.376 6.214 -2.674 759 HA HIS 98 HA HIS 98 -3.161 7.835 -3.399 760 HB2 HIS 98 2HB HIS 98 -5.138 8.506 -1.974 761 HB3 HIS 98 1HB HIS 98 -4.443 7.590 -0.652 762 HD1 HIS 98 HD1 HIS 98 -2.337 8.610 0.522 763 HD2 HIS 98 HD2 HIS 98 -4.030 11.032 -2.403 764 HE1 HIS 98 HE1 HIS 98 -1.316 10.875 0.859 765 HE2 HIS 98 HE2 HIS 98 -2.464 12.362 -0.824 766 H LEU 99 HN LEU 99 -2.778 4.790 -2.555 767 HA LEU 99 HA LEU 99 -1.572 4.396 -0.168 768 HB2 LEU 99 2HB LEU 99 -0.585 2.251 -1.569 769 HB3 LEU 99 1HB LEU 99 -2.194 2.371 -0.907 770 HG LEU 99 HG LEU 99 -2.597 3.482 -3.385 771 HD11 LEU 99 1HD1 LEU 99 -0.390 3.050 -4.239 772 HD12 LEU 99 2HD1 LEU 99 -1.610 2.126 -5.121 773 HD13 LEU 99 3HD1 LEU 99 -0.584 1.320 -3.922 774 HD21 LEU 99 3HD2 LEU 99 -3.749 1.506 -4.038 775 HD22 LEU 99 1HD2 LEU 99 -3.994 1.767 -2.312 776 HD23 LEU 99 2HD2 LEU 99 -2.860 0.527 -2.861 777 H GLY 100 HN GLY 100 0.512 4.413 -3.263 778 HA2 GLY 100 2HA GLY 100 2.768 5.272 -1.625 779 HA3 GLY 100 1HA GLY 100 2.765 3.547 -1.954 780 H HIS 101 HN HIS 101 4.749 3.792 -2.973 781 HA HIS 101 HA HIS 101 4.636 4.601 -5.791 782 HB2 HIS 101 2HB HIS 101 6.834 5.809 -5.584 783 HB3 HIS 101 1HB HIS 101 5.505 6.612 -4.767 784 HD1 HIS 101 HD1 HIS 101 5.840 7.192 -2.370 785 HD2 HIS 101 HD2 HIS 101 8.687 4.484 -3.731 786 HE1 HIS 101 HE1 HIS 101 7.536 7.023 -0.529 787 HE2 HIS 101 HE2 HIS 101 9.371 5.589 -1.490 788 H VAL 102 HN VAL 102 6.713 3.774 -7.002 789 HA VAL 102 HA VAL 102 7.795 1.338 -5.702 790 HB VAL 102 HB VAL 102 7.401 -0.103 -7.619 791 HG11 VAL 102 1HG1 VAL 102 4.785 1.272 -6.901 792 HG12 VAL 102 2HG1 VAL 102 5.576 0.004 -5.969 793 HG13 VAL 102 3HG1 VAL 102 4.955 -0.353 -7.579 794 HG21 VAL 102 3HG2 VAL 102 6.062 0.590 -9.592 795 HG22 VAL 102 1HG2 VAL 102 7.575 1.490 -9.453 796 HG23 VAL 102 2HG2 VAL 102 6.052 2.251 -8.988 797 H PHE 103 HN PHE 103 9.734 0.490 -6.869 798 HA PHE 103 HA PHE 103 11.031 2.430 -8.648 799 HB2 PHE 103 2HB PHE 103 13.162 2.218 -7.306 800 HB3 PHE 103 1HB PHE 103 11.876 3.103 -6.501 801 HD1 PHE 103 HD1 PHE 103 10.499 1.873 -4.690 802 HD2 PHE 103 HD2 PHE 103 14.191 0.348 -6.220 803 HE1 PHE 103 HE1 PHE 103 10.755 0.469 -2.689 804 HE2 PHE 103 HE2 PHE 103 14.431 -1.051 -4.214 805 HZ PHE 103 HZ PHE 103 12.719 -0.989 -2.450 806 H ASN 104 HN ASN 104 12.671 1.619 -9.928 807 HA ASN 104 HA ASN 104 12.292 -1.150 -10.772 808 HB2 ASN 104 2HB ASN 104 13.875 1.173 -11.981 809 HB3 ASN 104 1HB ASN 104 13.689 -0.403 -12.744 810 HD21 ASN 104 1HD2 ASN 104 11.816 2.364 -11.515 811 HD22 ASN 104 2HD2 ASN 104 10.530 2.222 -12.658 812 H ASP 105 HN ASP 105 14.123 0.157 -8.467 813 HA ASP 105 HA ASP 105 16.704 -1.150 -9.010 814 HB2 ASP 105 2HB ASP 105 15.903 0.669 -6.695 815 HB3 ASP 105 1HB ASP 105 17.538 0.199 -7.156 816 H GLY 106 HN GLY 106 13.893 -2.219 -7.882 817 HA2 GLY 106 2HA GLY 106 14.962 -3.684 -5.522 818 HA3 GLY 106 1HA GLY 106 13.296 -3.140 -5.654 819 HA PRO 107 HA PRO 107 14.435 -7.212 -8.116 820 HB2 PRO 107 2HB PRO 107 14.719 -9.245 -6.325 821 HB3 PRO 107 1HB PRO 107 16.055 -8.161 -6.747 822 HG2 PRO 107 2HG PRO 107 14.244 -8.096 -4.339 823 HG3 PRO 107 1HG PRO 107 16.005 -7.881 -4.418 824 HD2 PRO 107 2HD PRO 107 14.236 -5.782 -4.258 825 HD3 PRO 107 1HD PRO 107 15.832 -5.652 -5.027 826 H GLY 108 HN GLY 108 12.779 -8.226 -9.031 827 HA2 GLY 108 2HA GLY 108 10.859 -9.773 -7.684 828 HA3 GLY 108 1HA GLY 108 10.146 -8.216 -8.095 829 HA PRO 109 HA PRO 109 10.057 -11.409 -11.866 830 HB2 PRO 109 2HB PRO 109 7.229 -11.500 -10.779 831 HB3 PRO 109 1HB PRO 109 8.125 -12.731 -11.685 832 HG2 PRO 109 2HG PRO 109 7.863 -12.980 -9.064 833 HG3 PRO 109 1HG PRO 109 9.431 -13.335 -9.822 834 HD2 PRO 109 2HD PRO 109 8.595 -10.918 -8.238 835 HD3 PRO 109 1HD PRO 109 10.165 -11.755 -8.276 836 H ASN 110 HN ASN 110 8.291 -8.688 -10.498 837 HA ASN 110 HA ASN 110 6.909 -7.955 -12.945 838 HB2 ASN 110 2HB ASN 110 5.878 -7.565 -10.701 839 HB3 ASN 110 1HB ASN 110 7.198 -6.487 -10.279 840 HD21 ASN 110 1HD2 ASN 110 5.694 -4.814 -9.878 841 HD22 ASN 110 2HD2 ASN 110 4.915 -3.957 -11.162 842 H GLY 111 HN GLY 111 9.872 -7.242 -11.323 843 HA2 GLY 111 2HA GLY 111 11.783 -6.138 -12.162 844 HA3 GLY 111 1HA GLY 111 10.800 -5.409 -13.423 845 H LEU 112 HN LEU 112 9.031 -4.967 -10.764 846 HA LEU 112 HA LEU 112 10.203 -2.359 -9.995 847 HB2 LEU 112 2HB LEU 112 7.284 -3.274 -10.025 848 HB3 LEU 112 1HB LEU 112 7.838 -1.739 -9.358 849 HG LEU 112 HG LEU 112 8.057 -2.562 -12.284 850 HD11 LEU 112 1HD1 LEU 112 6.329 -0.876 -12.720 851 HD12 LEU 112 2HD1 LEU 112 6.169 -0.567 -10.991 852 HD13 LEU 112 3HD1 LEU 112 5.724 -2.141 -11.651 853 HD21 LEU 112 3HD2 LEU 112 9.891 -1.076 -11.624 854 HD22 LEU 112 1HD2 LEU 112 8.740 0.076 -10.936 855 HD23 LEU 112 2HD2 LEU 112 8.759 -0.226 -12.676 856 H ARG 113 HN ARG 113 9.554 -1.761 -7.701 857 HA ARG 113 HA ARG 113 9.050 -4.099 -5.961 858 HB2 ARG 113 2HB ARG 113 11.472 -3.201 -5.865 859 HB3 ARG 113 1HB ARG 113 10.804 -1.751 -5.133 860 HG2 ARG 113 2HG ARG 113 11.622 -3.179 -3.372 861 HG3 ARG 113 1HG ARG 113 9.858 -3.164 -3.293 862 HD2 ARG 113 2HD ARG 113 9.840 -5.344 -4.534 863 HD3 ARG 113 1HD ARG 113 11.607 -5.360 -4.457 864 HE ARG 113 HE ARG 113 10.549 -5.061 -1.849 865 HH11 ARG 113 1HH1 ARG 113 10.846 -7.526 -4.346 866 HH12 ARG 113 2HH1 ARG 113 10.767 -8.842 -3.219 867 HH21 ARG 113 1HH2 ARG 113 10.427 -6.799 -0.398 868 HH22 ARG 113 2HH2 ARG 113 10.540 -8.428 -0.980 869 H TYR 114 HN TYR 114 7.046 -3.811 -5.466 870 HA TYR 114 HA TYR 114 5.570 -1.427 -5.323 871 HB2 TYR 114 2HB TYR 114 4.638 -3.643 -5.924 872 HB3 TYR 114 1HB TYR 114 4.953 -4.219 -4.292 873 HD1 TYR 114 HD2 TYR 114 3.254 -1.263 -5.877 874 HD2 TYR 114 HD1 TYR 114 3.007 -4.386 -2.965 875 HE1 TYR 114 HE2 TYR 114 1.020 -0.495 -5.233 876 HE2 TYR 114 HE1 TYR 114 0.770 -3.610 -2.324 877 HH TYR 114 HH TYR 114 -0.885 -1.119 -4.107 878 H CYS 115 HN CYS 115 6.154 0.090 -3.812 879 HA CYS 115 HA CYS 115 6.689 -0.803 -1.030 880 HB2 CYS 115 2HB CYS 115 8.773 -0.051 -2.157 881 HB3 CYS 115 1HB CYS 115 8.030 1.514 -2.486 882 HG CYS 115 HG CYS 115 7.817 0.789 0.738 883 H ILE 116 HN ILE 116 4.827 -0.317 -0.049 884 HA ILE 116 HA ILE 116 3.597 2.344 -0.496 885 HB ILE 116 HB ILE 116 2.386 0.049 1.113 886 HG12 ILE 116 2HG1 ILE 116 2.594 -0.701 -1.213 887 HG13 ILE 116 1HG1 ILE 116 0.905 -0.329 -0.882 888 HG21 ILE 116 1HG2 ILE 116 1.167 2.624 0.033 889 HG22 ILE 116 2HG2 ILE 116 1.496 2.254 1.727 890 HG23 ILE 116 3HG2 ILE 116 0.267 1.342 0.849 891 HD11 ILE 116 3HD1 ILE 116 1.442 0.487 -3.042 892 HD12 ILE 116 1HD1 ILE 116 2.879 1.322 -2.454 893 HD13 ILE 116 2HD1 ILE 116 1.268 1.888 -1.993 894 H ASN 117 HN ASN 117 3.336 3.727 1.159 895 HA ASN 117 HA ASN 117 5.358 3.991 3.080 896 HB2 ASN 117 2HB ASN 117 2.636 5.370 2.978 897 HB3 ASN 117 1HB ASN 117 4.096 5.981 3.755 898 HD21 ASN 117 1HD2 ASN 117 2.481 5.431 0.722 899 HD22 ASN 117 2HD2 ASN 117 3.513 6.416 -0.247 900 H SER 118 HN SER 118 5.451 3.404 5.226 901 HA SER 118 HA SER 118 3.876 1.328 6.243 902 HB2 SER 118 2HB SER 118 5.060 1.866 8.420 903 HB3 SER 118 1HB SER 118 6.138 1.686 7.034 904 HG SER 118 HG SER 118 5.877 3.784 8.646 905 H ALA 119 HN ALA 119 3.649 4.812 6.679 906 HA ALA 119 HA ALA 119 1.635 4.907 8.683 907 HB1 ALA 119 3HB ALA 119 2.366 6.986 6.599 908 HB2 ALA 119 1HB ALA 119 3.107 6.810 8.190 909 HB3 ALA 119 2HB ALA 119 1.411 7.278 8.059 910 H ALA 120 HN ALA 120 1.515 4.262 5.270 911 HA ALA 120 HA ALA 120 -1.396 4.716 5.098 912 HB1 ALA 120 3HB ALA 120 -0.030 5.794 3.353 913 HB2 ALA 120 1HB ALA 120 -1.075 4.556 2.656 914 HB3 ALA 120 2HB ALA 120 0.646 4.229 2.892 915 H LEU 121 HN LEU 121 0.120 2.359 6.428 916 HA LEU 121 HA LEU 121 -1.108 0.166 4.876 917 HB2 LEU 121 2HB LEU 121 1.567 0.229 6.293 918 HB3 LEU 121 1HB LEU 121 0.782 -1.278 5.819 919 HG LEU 121 HG LEU 121 1.687 0.938 3.955 920 HD11 LEU 121 1HD1 LEU 121 2.703 -1.876 4.340 921 HD12 LEU 121 2HD1 LEU 121 3.539 -0.374 4.760 922 HD13 LEU 121 3HD1 LEU 121 3.221 -0.765 3.072 923 HD21 LEU 121 3HD2 LEU 121 -0.357 0.066 3.096 924 HD22 LEU 121 1HD2 LEU 121 0.159 -1.609 3.361 925 HD23 LEU 121 2HD2 LEU 121 0.957 -0.614 2.141 926 H ARG 122 HN ARG 122 -2.038 -1.464 5.880 927 HA ARG 122 HA ARG 122 -2.048 -1.723 8.789 928 HB2 ARG 122 2HB ARG 122 -3.950 -0.174 8.246 929 HB3 ARG 122 1HB ARG 122 -4.631 -1.400 7.177 930 HG2 ARG 122 2HG ARG 122 -4.939 -2.911 9.120 931 HG3 ARG 122 1HG ARG 122 -4.251 -1.680 10.185 932 HD2 ARG 122 2HD ARG 122 -6.692 -1.666 10.317 933 HD3 ARG 122 1HD ARG 122 -6.112 -0.155 9.612 934 HE ARG 122 HE ARG 122 -6.655 -1.258 7.379 935 HH11 ARG 122 1HH1 ARG 122 -8.472 -1.977 10.286 936 HH12 ARG 122 2HH1 ARG 122 -9.932 -2.347 9.422 937 HH21 ARG 122 1HH2 ARG 122 -8.549 -1.749 6.265 938 HH22 ARG 122 2HH2 ARG 122 -9.976 -2.218 7.131 939 H PHE 123 HN PHE 123 -1.500 -3.785 9.031 940 HA PHE 123 HA PHE 123 -2.142 -5.844 7.059 941 HB2 PHE 123 2HB PHE 123 -0.755 -6.274 9.749 942 HB3 PHE 123 1HB PHE 123 -0.651 -7.279 8.307 943 HD1 PHE 123 HD1 PHE 123 0.523 -6.257 6.212 944 HD2 PHE 123 HD2 PHE 123 0.851 -4.580 10.131 945 HE1 PHE 123 HE1 PHE 123 2.523 -5.003 5.523 946 HE2 PHE 123 HE2 PHE 123 2.855 -3.340 9.430 947 HZ PHE 123 HZ PHE 123 3.685 -3.546 7.122 948 H VAL 124 HN VAL 124 -4.073 -6.959 7.221 949 HA VAL 124 HA VAL 124 -5.696 -6.381 9.635 950 HB VAL 124 HB VAL 124 -6.734 -6.968 6.823 951 HG11 VAL 124 1HG1 VAL 124 -8.920 -6.193 7.728 952 HG12 VAL 124 2HG1 VAL 124 -8.189 -6.014 9.322 953 HG13 VAL 124 3HG1 VAL 124 -8.318 -7.615 8.596 954 HG21 VAL 124 3HG2 VAL 124 -5.568 -4.798 6.854 955 HG22 VAL 124 1HG2 VAL 124 -6.528 -4.277 8.235 956 HG23 VAL 124 2HG2 VAL 124 -7.310 -4.567 6.675 957 HA PRO 125 HA PRO 125 -5.344 -10.889 10.397 958 HB2 PRO 125 2HB PRO 125 -7.766 -10.160 12.060 959 HB3 PRO 125 1HB PRO 125 -6.378 -11.176 12.485 960 HG2 PRO 125 2HG PRO 125 -6.551 -8.678 13.394 961 HG3 PRO 125 1HG PRO 125 -4.985 -9.329 12.870 962 HD2 PRO 125 2HD PRO 125 -6.789 -7.377 11.475 963 HD3 PRO 125 1HD PRO 125 -5.014 -7.477 11.480 964 H LYS 126 HN LYS 126 -6.371 -12.643 9.421 965 HA LYS 126 HA LYS 126 -8.511 -12.375 7.630 966 HB2 LYS 126 2HB LYS 126 -8.582 -14.864 7.568 967 HB3 LYS 126 1HB LYS 126 -6.947 -14.232 7.406 968 HG2 LYS 126 2HG LYS 126 -6.485 -14.783 9.763 969 HG3 LYS 126 1HG LYS 126 -8.132 -15.393 9.956 970 HD2 LYS 126 2HD LYS 126 -6.073 -16.540 8.018 971 HD3 LYS 126 1HD LYS 126 -6.409 -17.195 9.624 972 HE2 LYS 126 2HE LYS 126 -8.413 -16.996 7.342 973 HE3 LYS 126 1HE LYS 126 -7.570 -18.461 7.842 974 HZ1 LYS 126 3HZ LYS 126 -9.508 -16.912 9.471 975 HZ2 LYS 126 1HZ LYS 126 -8.652 -18.267 10.018 976 HZ3 LYS 126 2HZ LYS 126 -9.770 -18.419 8.758 977 H HIS 127 HN HIS 127 -8.485 -12.836 11.045 978 HA HIS 127 HA HIS 127 -11.238 -13.643 11.388 979 HB2 HIS 127 2HB HIS 127 -9.283 -12.405 13.385 980 HB3 HIS 127 1HB HIS 127 -10.830 -13.142 13.796 981 HD1 HIS 127 HD1 HIS 127 -8.402 -14.225 15.152 982 HD2 HIS 127 HD2 HIS 127 -9.752 -15.724 11.520 983 HE1 HIS 127 HE1 HIS 127 -7.525 -16.573 15.042 984 HE2 HIS 127 HE2 HIS 127 -8.177 -17.382 12.745 985 H LYS 128 HN LYS 128 -9.522 -10.665 10.974 986 HA LYS 128 HA LYS 128 -11.652 -8.937 12.015 987 HB2 LYS 128 2HB LYS 128 -9.272 -8.470 12.571 988 HB3 LYS 128 1HB LYS 128 -8.894 -8.314 10.863 989 HG2 LYS 128 2HG LYS 128 -9.026 -6.120 11.800 990 HG3 LYS 128 1HG LYS 128 -10.432 -6.343 10.755 991 HD2 LYS 128 2HD LYS 128 -11.817 -6.835 12.762 992 HD3 LYS 128 1HD LYS 128 -10.402 -6.558 13.788 993 HE2 LYS 128 2HE LYS 128 -11.802 -4.533 12.015 994 HE3 LYS 128 1HE LYS 128 -11.775 -4.567 13.780 995 HZ1 LYS 128 3HZ LYS 128 -9.356 -4.215 13.670 996 HZ2 LYS 128 1HZ LYS 128 -10.226 -2.942 12.975 997 HZ3 LYS 128 2HZ LYS 128 -9.453 -4.076 11.987 998 H LEU 129 HN LEU 129 -10.476 -10.264 9.048 999 HA LEU 129 HA LEU 129 -11.186 -8.268 7.198 1000 HB2 LEU 129 2HB LEU 129 -10.863 -11.264 6.948 1001 HB3 LEU 129 1HB LEU 129 -11.276 -10.258 5.568 1002 HG LEU 129 HG LEU 129 -8.719 -10.016 7.200 1003 HD11 LEU 129 1HD1 LEU 129 -9.222 -11.181 4.447 1004 HD12 LEU 129 2HD1 LEU 129 -8.734 -12.059 5.906 1005 HD13 LEU 129 3HD1 LEU 129 -7.623 -10.902 5.163 1006 HD21 LEU 129 3HD2 LEU 129 -9.461 -7.863 6.292 1007 HD22 LEU 129 1HD2 LEU 129 -9.570 -8.571 4.675 1008 HD23 LEU 129 2HD2 LEU 129 -8.002 -8.432 5.482 1009 H LYS 130 HN LYS 130 -13.108 -10.912 8.662 1010 HA LYS 130 HA LYS 130 -15.431 -10.714 7.176 1011 HB2 LYS 130 2HB LYS 130 -15.038 -12.452 8.897 1012 HB3 LYS 130 1HB LYS 130 -15.127 -11.229 10.163 1013 HG2 LYS 130 2HG LYS 130 -17.504 -10.811 9.569 1014 HG3 LYS 130 1HG LYS 130 -17.401 -12.062 8.321 1015 HD2 LYS 130 2HD LYS 130 -17.079 -13.784 10.004 1016 HD3 LYS 130 1HD LYS 130 -16.929 -12.577 11.286 1017 HE2 LYS 130 2HE LYS 130 -19.439 -13.138 9.655 1018 HE3 LYS 130 1HE LYS 130 -19.152 -13.619 11.330 1019 HZ1 LYS 130 3HZ LYS 130 -20.512 -11.629 11.210 1020 HZ2 LYS 130 1HZ LYS 130 -19.320 -10.819 10.323 1021 HZ3 LYS 130 2HZ LYS 130 -19.026 -11.263 11.928 1022 H GLU 131 HN GLU 131 -14.440 -8.854 10.028 1023 HA GLU 131 HA GLU 131 -16.648 -7.124 10.194 1024 HB2 GLU 131 2HB GLU 131 -13.781 -6.615 11.107 1025 HB3 GLU 131 1HB GLU 131 -15.207 -5.727 11.649 1026 HG2 GLU 131 2HG GLU 131 -16.124 -7.807 12.631 1027 HG3 GLU 131 1HG GLU 131 -14.684 -8.682 12.106 1028 H GLU 132 HN GLU 132 -13.652 -6.911 8.262 1029 HA GLU 132 HA GLU 132 -14.119 -4.212 7.373 1030 HB2 GLU 132 2HB GLU 132 -12.213 -6.315 6.264 1031 HB3 GLU 132 1HB GLU 132 -12.175 -4.590 5.909 1032 HG2 GLU 132 2HG GLU 132 -11.627 -5.889 8.588 1033 HG3 GLU 132 1HG GLU 132 -10.428 -5.203 7.498 1034 H GLY 133 HN GLY 133 -15.553 -7.200 6.461 1035 HA2 GLY 133 2HA GLY 133 -17.322 -7.223 4.895 1036 HA3 GLY 133 1HA GLY 133 -16.474 -6.049 3.901 1037 H TYR 134 HN TYR 134 -15.434 -9.084 5.398 1038 HA TYR 134 HA TYR 134 -13.694 -10.337 4.089 1039 HB2 TYR 134 2HB TYR 134 -14.838 -12.525 4.415 1040 HB3 TYR 134 1HB TYR 134 -14.956 -11.456 5.798 1041 HD1 TYR 134 HD2 TYR 134 -17.174 -10.274 6.266 1042 HD2 TYR 134 HD1 TYR 134 -16.857 -13.319 3.289 1043 HE1 TYR 134 HE2 TYR 134 -19.617 -10.544 6.282 1044 HE2 TYR 134 HE1 TYR 134 -19.300 -13.589 3.313 1045 HH TYR 134 HH TYR 134 -21.402 -11.358 4.794 1046 H GLU 135 HN GLU 135 -16.735 -9.897 2.375 1047 HA GLU 135 HA GLU 135 -16.987 -11.963 0.687 1048 HB2 GLU 135 2HB GLU 135 -17.481 -9.060 -0.064 1049 HB3 GLU 135 1HB GLU 135 -18.190 -10.460 -0.876 1050 HG2 GLU 135 2HG GLU 135 -19.284 -11.090 1.299 1051 HG3 GLU 135 1HG GLU 135 -18.668 -9.595 1.998 1052 H SER 136 HN SER 136 -15.034 -9.055 -0.400 1053 HA SER 136 HA SER 136 -13.915 -10.634 -2.586 1054 HB2 SER 136 2HB SER 136 -13.478 -7.719 -1.810 1055 HB3 SER 136 1HB SER 136 -12.876 -8.491 -3.276 1056 HG SER 136 HG SER 136 -15.184 -9.001 -3.677 1057 H TYR 137 HN TYR 137 -13.033 -9.690 0.642 1058 HA TYR 137 HA TYR 137 -10.205 -9.419 0.350 1059 HB2 TYR 137 2HB TYR 137 -11.946 -9.947 2.797 1060 HB3 TYR 137 1HB TYR 137 -10.222 -9.617 2.888 1061 HD1 TYR 137 HD2 TYR 137 -13.443 -8.098 1.704 1062 HD2 TYR 137 HD1 TYR 137 -9.482 -7.343 3.094 1063 HE1 TYR 137 HE2 TYR 137 -13.952 -5.710 1.882 1064 HE2 TYR 137 HE1 TYR 137 -9.992 -4.948 3.271 1065 HH TYR 137 HH TYR 137 -13.176 -3.758 3.139 1066 H LEU 138 HN LEU 138 -12.251 -12.002 1.664 1067 HA LEU 138 HA LEU 138 -10.178 -13.953 1.906 1068 HB2 LEU 138 2HB LEU 138 -13.178 -14.033 2.326 1069 HB3 LEU 138 1HB LEU 138 -12.226 -15.505 2.388 1070 HG LEU 138 HG LEU 138 -10.936 -14.655 4.299 1071 HD11 LEU 138 1HD1 LEU 138 -10.901 -12.279 3.785 1072 HD12 LEU 138 2HD1 LEU 138 -11.507 -12.552 5.414 1073 HD13 LEU 138 3HD1 LEU 138 -12.632 -12.161 4.113 1074 HD21 LEU 138 3HD2 LEU 138 -12.687 -14.572 6.022 1075 HD22 LEU 138 1HD2 LEU 138 -13.007 -15.849 4.844 1076 HD23 LEU 138 2HD2 LEU 138 -13.920 -14.336 4.774 1077 H HIS 139 HN HIS 139 -12.450 -13.063 -0.603 1078 HA HIS 139 HA HIS 139 -12.337 -15.395 -2.213 1079 HB2 HIS 139 2HB HIS 139 -13.927 -13.563 -2.653 1080 HB3 HIS 139 1HB HIS 139 -12.605 -12.469 -3.035 1081 HD1 HIS 139 HD1 HIS 139 -13.108 -11.983 -5.441 1082 HD2 HIS 139 HD2 HIS 139 -13.106 -16.063 -4.638 1083 HE1 HIS 139 HE1 HIS 139 -13.337 -13.116 -7.674 1084 HE2 HIS 139 HE2 HIS 139 -13.258 -15.578 -7.170 1085 H LEU 140 HN LEU 140 -10.110 -12.736 -1.742 1086 HA LEU 140 HA LEU 140 -8.190 -13.649 -3.739 1087 HB2 LEU 140 2HB LEU 140 -8.083 -11.432 -1.650 1088 HB3 LEU 140 1HB LEU 140 -6.845 -11.714 -2.873 1089 HG LEU 140 HG LEU 140 -9.744 -11.052 -3.551 1090 HD11 LEU 140 1HD1 LEU 140 -7.402 -9.140 -3.444 1091 HD12 LEU 140 2HD1 LEU 140 -8.784 -9.165 -2.350 1092 HD13 LEU 140 3HD1 LEU 140 -9.018 -8.771 -4.051 1093 HD21 LEU 140 3HD2 LEU 140 -7.243 -11.045 -5.282 1094 HD22 LEU 140 1HD2 LEU 140 -8.858 -10.563 -5.798 1095 HD23 LEU 140 2HD2 LEU 140 -8.549 -12.235 -5.341 1096 H PHE 141 HN PHE 141 -8.438 -13.424 -0.188 1097 HA PHE 141 HA PHE 141 -5.831 -14.242 0.477 1098 HB2 PHE 141 2HB PHE 141 -7.159 -12.996 2.075 1099 HB3 PHE 141 1HB PHE 141 -8.418 -14.221 2.090 1100 HD1 PHE 141 HD1 PHE 141 -4.867 -13.600 3.068 1101 HD2 PHE 141 HD2 PHE 141 -8.334 -16.015 3.681 1102 HE1 PHE 141 HE1 PHE 141 -3.760 -14.712 4.959 1103 HE2 PHE 141 HE2 PHE 141 -7.221 -17.107 5.576 1104 HZ PHE 141 HZ PHE 141 -4.938 -16.464 6.217 1105 H ASN 142 HN ASN 142 -8.766 -16.147 -0.011 1106 HA ASN 142 HA ASN 142 -8.050 -18.441 1.461 1107 HB2 ASN 142 2HB ASN 142 -9.944 -19.553 0.467 1108 HB3 ASN 142 1HB ASN 142 -10.396 -17.878 0.732 1109 HD21 ASN 142 1HD2 ASN 142 -8.946 -16.928 -1.708 1110 HD22 ASN 142 2HD2 ASN 142 -9.914 -17.434 -3.039 1111 H LYS 143 HN LYS 143 -7.299 -20.439 0.884 1112 HA LYS 143 HA LYS 143 -5.594 -20.634 -1.465 1113 HB2 LYS 143 2HB LYS 143 -4.843 -21.475 0.789 1114 HB3 LYS 143 1HB LYS 143 -6.133 -22.674 0.747 1115 HG2 LYS 143 2HG LYS 143 -5.101 -23.694 -1.272 1116 HG3 LYS 143 1HG LYS 143 -3.793 -22.508 -1.196 1117 HD2 LYS 143 2HD LYS 143 -4.422 -24.707 0.818 1118 HD3 LYS 143 1HD LYS 143 -3.011 -24.593 -0.234 1119 HE2 LYS 143 2HE LYS 143 -2.355 -22.490 1.016 1120 HE3 LYS 143 1HE LYS 143 -3.677 -22.816 2.139 1121 HZ1 LYS 143 3HZ LYS 143 -2.628 -24.946 2.656 1122 HZ2 LYS 143 1HZ LYS 143 -1.615 -23.639 3.005 1123 HZ3 LYS 143 2HZ LYS 143 -1.343 -24.569 1.619 1124 H LEU 144 HN LEU 144 -6.503 -21.255 -3.310 1125 HA LEU 144 HA LEU 144 -8.984 -22.641 -3.563 1126 HB2 LEU 144 2HB LEU 144 -6.801 -21.980 -5.584 1127 HB3 LEU 144 1HB LEU 144 -8.256 -22.847 -6.026 1128 HG LEU 144 HG LEU 144 -8.497 -20.539 -6.689 1129 HD11 LEU 144 1HD1 LEU 144 -10.224 -21.053 -4.263 1130 HD12 LEU 144 2HD1 LEU 144 -10.522 -21.629 -5.906 1131 HD13 LEU 144 3HD1 LEU 144 -10.558 -19.902 -5.563 1132 HD21 LEU 144 3HD2 LEU 144 -8.437 -18.639 -5.148 1133 HD22 LEU 144 1HD2 LEU 144 -6.887 -19.481 -5.169 1134 HD23 LEU 144 2HD2 LEU 144 -7.994 -19.710 -3.811 1135 H GLU 145 HN GLU 145 -8.669 -24.429 -2.231 1136 HA GLU 145 HA GLU 145 -6.731 -26.458 -2.411 1137 HB2 GLU 145 2HB GLU 145 -8.229 -26.251 -0.479 1138 HB3 GLU 145 1HB GLU 145 -9.641 -26.533 -1.487 1139 HG2 GLU 145 2HG GLU 145 -9.179 -28.507 -0.189 1140 HG3 GLU 145 1HG GLU 145 -8.876 -28.854 -1.887 1141 H HIS 146 HN HIS 146 -9.934 -26.131 -3.902 1142 HA HIS 146 HA HIS 146 -9.084 -27.696 -6.225 1143 HB2 HIS 146 2HB HIS 146 -10.233 -29.290 -4.563 1144 HB3 HIS 146 1HB HIS 146 -11.710 -28.364 -4.812 1145 HD1 HIS 146 HD1 HIS 146 -9.538 -30.937 -6.366 1146 HD2 HIS 146 HD2 HIS 146 -12.883 -28.702 -7.428 1147 HE1 HIS 146 HE1 HIS 146 -10.447 -32.037 -8.430 1148 HE2 HIS 146 HE2 HIS 146 -12.442 -30.641 -9.095 1149 H HIS 147 HN HIS 147 -9.557 -26.436 -7.903 1150 HA HIS 147 HA HIS 147 -12.117 -24.994 -8.064 1151 HB2 HIS 147 2HB HIS 147 -10.354 -23.346 -7.366 1152 HB3 HIS 147 1HB HIS 147 -9.407 -23.770 -8.787 1153 HD1 HIS 147 HD1 HIS 147 -12.435 -21.853 -7.712 1154 HD2 HIS 147 HD2 HIS 147 -10.329 -22.636 -11.209 1155 HE1 HIS 147 HE1 HIS 147 -13.300 -20.207 -9.399 1156 HE2 HIS 147 HE2 HIS 147 -11.895 -20.594 -11.458 Start of MODEL 20 1 H1 MET 1 1H MET 1 -17.876 9.268 15.817 2 H2 MET 1 2H MET 1 -18.308 10.901 15.869 3 H3 MET 1 3H MET 1 -18.518 10.014 14.446 4 HA MET 1 HA MET 1 -19.909 9.551 17.007 5 HB2 MET 1 2HB MET 1 -21.976 10.278 15.691 6 HB3 MET 1 1HB MET 1 -20.830 11.549 16.103 7 HG2 MET 1 2HG MET 1 -21.641 11.895 13.867 8 HG3 MET 1 1HG MET 1 -19.935 11.462 13.798 9 HE1 MET 1 3HE MET 1 -21.335 9.956 10.456 10 HE2 MET 1 1HE MET 1 -20.194 11.085 11.185 11 HE3 MET 1 2HE MET 1 -21.930 11.422 11.224 12 H ALA 2 HN ALA 2 -18.882 8.231 14.014 13 HA ALA 2 HA ALA 2 -19.918 5.633 14.690 14 HB1 ALA 2 3HB ALA 2 -21.926 6.561 13.564 15 HB2 ALA 2 1HB ALA 2 -21.217 5.253 12.614 16 HB3 ALA 2 2HB ALA 2 -20.962 6.935 12.134 17 H TYR 3 HN TYR 3 -19.195 3.991 12.922 18 HA TYR 3 HA TYR 3 -16.463 4.477 12.154 19 HB2 TYR 3 2HB TYR 3 -18.366 2.219 11.386 20 HB3 TYR 3 1HB TYR 3 -16.667 2.267 10.936 21 HD1 TYR 3 HD1 TYR 3 -19.029 1.818 13.749 22 HD2 TYR 3 HD2 TYR 3 -14.907 1.802 12.596 23 HE1 TYR 3 HE1 TYR 3 -18.424 0.732 15.871 24 HE2 TYR 3 HE2 TYR 3 -14.319 0.716 14.706 25 HH TYR 3 HH TYR 3 -16.544 -0.714 16.730 26 H ASN 4 HN ASN 4 -16.560 6.345 10.906 27 HA ASN 4 HA ASN 4 -17.430 5.972 8.089 28 HB2 ASN 4 2HB ASN 4 -17.087 8.621 9.568 29 HB3 ASN 4 1HB ASN 4 -17.626 8.422 7.908 30 HD21 ASN 4 1HD2 ASN 4 -18.516 8.218 11.265 31 HD22 ASN 4 2HD2 ASN 4 -20.216 8.043 11.003 32 H LYS 5 HN LYS 5 -15.788 5.835 6.701 33 HA LYS 5 HA LYS 5 -13.064 6.032 7.443 34 HB2 LYS 5 2HB LYS 5 -12.561 5.670 5.045 35 HB3 LYS 5 1HB LYS 5 -13.796 4.553 5.614 36 HG2 LYS 5 2HG LYS 5 -15.535 6.087 4.611 37 HG3 LYS 5 1HG LYS 5 -14.212 7.020 3.902 38 HD2 LYS 5 2HD LYS 5 -13.494 5.051 2.611 39 HD3 LYS 5 1HD LYS 5 -14.750 4.068 3.372 40 HE2 LYS 5 2HE LYS 5 -15.176 6.434 1.515 41 HE3 LYS 5 1HE LYS 5 -15.495 4.739 1.155 42 HZ1 LYS 5 3HZ LYS 5 -16.910 6.408 3.162 43 HZ2 LYS 5 1HZ LYS 5 -17.191 4.759 2.907 44 HZ3 LYS 5 2HZ LYS 5 -17.535 5.875 1.684 45 H GLU 6 HN GLU 6 -15.344 8.333 6.008 46 HA GLU 6 HA GLU 6 -13.464 10.303 5.152 47 HB2 GLU 6 2HB GLU 6 -15.490 11.751 4.892 48 HB3 GLU 6 1HB GLU 6 -15.657 10.178 4.125 49 HG2 GLU 6 2HG GLU 6 -16.974 9.392 6.097 50 HG3 GLU 6 1HG GLU 6 -16.877 11.018 6.768 51 H GLU 7 HN GLU 7 -15.549 10.020 8.029 52 HA GLU 7 HA GLU 7 -14.779 12.170 9.558 53 HB2 GLU 7 2HB GLU 7 -16.570 10.452 10.024 54 HB3 GLU 7 1HB GLU 7 -15.320 9.347 10.577 55 HG2 GLU 7 2HG GLU 7 -14.756 10.986 12.374 56 HG3 GLU 7 1HG GLU 7 -16.101 11.990 11.839 57 H LYS 8 HN LYS 8 -12.954 9.309 8.807 58 HA LYS 8 HA LYS 8 -10.886 9.737 10.810 59 HB2 LYS 8 2HB LYS 8 -10.987 7.752 8.503 60 HB3 LYS 8 1HB LYS 8 -9.721 7.822 9.729 61 HG2 LYS 8 2HG LYS 8 -11.386 7.322 11.481 62 HG3 LYS 8 1HG LYS 8 -12.647 7.229 10.246 63 HD2 LYS 8 2HD LYS 8 -11.423 5.332 9.176 64 HD3 LYS 8 1HD LYS 8 -10.214 5.403 10.464 65 HE2 LYS 8 2HE LYS 8 -11.873 3.612 10.865 66 HE3 LYS 8 1HE LYS 8 -11.951 4.842 12.131 67 HZ1 LYS 8 3HZ LYS 8 -14.156 4.251 11.434 68 HZ2 LYS 8 1HZ LYS 8 -13.781 4.559 9.814 69 HZ3 LYS 8 2HZ LYS 8 -13.839 5.833 10.924 70 H ILE 9 HN ILE 9 -11.348 10.188 7.295 71 HA ILE 9 HA ILE 9 -8.794 10.500 6.318 72 HB ILE 9 HB ILE 9 -11.323 11.976 5.453 73 HG12 ILE 9 2HG1 ILE 9 -11.471 9.540 5.176 74 HG13 ILE 9 1HG1 ILE 9 -11.424 10.322 3.608 75 HG21 ILE 9 1HG2 ILE 9 -10.231 12.479 3.285 76 HG22 ILE 9 2HG2 ILE 9 -8.707 11.861 3.913 77 HG23 ILE 9 3HG2 ILE 9 -9.434 13.298 4.629 78 HD11 ILE 9 3HD1 ILE 9 -10.124 8.285 3.627 79 HD12 ILE 9 1HD1 ILE 9 -9.130 8.900 4.949 80 HD13 ILE 9 2HD1 ILE 9 -9.079 9.682 3.367 81 H LYS 10 HN LYS 10 -10.758 12.945 7.916 82 HA LYS 10 HA LYS 10 -9.242 15.254 7.528 83 HB2 LYS 10 2HB LYS 10 -10.898 14.501 9.971 84 HB3 LYS 10 1HB LYS 10 -10.385 16.135 9.548 85 HG2 LYS 10 2HG LYS 10 -11.694 15.896 7.396 86 HG3 LYS 10 1HG LYS 10 -12.333 14.375 8.032 87 HD2 LYS 10 2HD LYS 10 -13.355 15.579 9.929 88 HD3 LYS 10 1HD LYS 10 -12.659 17.101 9.360 89 HE2 LYS 10 2HE LYS 10 -14.000 16.892 7.262 90 HE3 LYS 10 1HE LYS 10 -14.728 15.417 7.902 91 HZ1 LYS 10 3HZ LYS 10 -16.156 17.311 8.229 92 HZ2 LYS 10 1HZ LYS 10 -14.950 18.127 9.087 93 HZ3 LYS 10 2HZ LYS 10 -15.637 16.721 9.725 94 H SER 11 HN SER 11 -8.922 12.799 10.054 95 HA SER 11 HA SER 11 -6.358 13.957 10.992 96 HB2 SER 11 2HB SER 11 -6.872 12.661 13.110 97 HB3 SER 11 1HB SER 11 -8.038 13.928 12.745 98 HG SER 11 HG SER 11 -9.535 12.463 12.264 99 H LEU 12 HN LEU 12 -6.851 12.051 8.673 100 HA LEU 12 HA LEU 12 -5.179 9.741 9.552 101 HB2 LEU 12 2HB LEU 12 -7.424 8.928 9.076 102 HB3 LEU 12 1HB LEU 12 -7.500 9.836 7.580 103 HG LEU 12 HG LEU 12 -5.718 8.359 6.630 104 HD11 LEU 12 1HD1 LEU 12 -4.585 7.676 8.623 105 HD12 LEU 12 2HD1 LEU 12 -5.157 6.254 7.755 106 HD13 LEU 12 3HD1 LEU 12 -6.013 6.801 9.202 107 HD21 LEU 12 3HD2 LEU 12 -8.088 7.933 6.155 108 HD22 LEU 12 1HD2 LEU 12 -8.193 6.863 7.560 109 HD23 LEU 12 2HD2 LEU 12 -7.154 6.442 6.191 110 H ASN 13 HN ASN 13 -6.326 11.384 6.605 111 HA ASN 13 HA ASN 13 -4.050 10.796 5.020 112 HB2 ASN 13 2HB ASN 13 -6.345 12.746 4.692 113 HB3 ASN 13 1HB ASN 13 -5.052 12.644 3.505 114 HD21 ASN 13 1HD2 ASN 13 -6.163 9.711 5.125 115 HD22 ASN 13 2HD2 ASN 13 -6.982 9.072 3.752 116 H ARG 14 HN ARG 14 -4.629 13.274 7.375 117 HA ARG 14 HA ARG 14 -2.876 15.287 6.502 118 HB2 ARG 14 2HB ARG 14 -4.492 15.443 8.458 119 HB3 ARG 14 1HB ARG 14 -3.351 14.493 9.409 120 HG2 ARG 14 2HG ARG 14 -1.647 16.272 9.128 121 HG3 ARG 14 1HG ARG 14 -2.794 17.220 8.176 122 HD2 ARG 14 2HD ARG 14 -3.002 16.482 11.110 123 HD3 ARG 14 1HD ARG 14 -2.775 18.094 10.424 124 HE ARG 14 HE ARG 14 -5.102 17.343 9.317 125 HH11 ARG 14 1HH1 ARG 14 -4.074 17.362 12.679 126 HH12 ARG 14 2HH1 ARG 14 -5.695 17.464 13.281 127 HH21 ARG 14 1HH2 ARG 14 -7.185 17.466 10.125 128 HH22 ARG 14 2HH2 ARG 14 -7.452 17.534 11.837 129 H MET 15 HN MET 15 -2.257 12.196 8.057 130 HA MET 15 HA MET 15 0.593 12.542 8.467 131 HB2 MET 15 2HB MET 15 -1.213 10.083 8.480 132 HB3 MET 15 1HB MET 15 0.508 10.016 8.833 133 HG2 MET 15 2HG MET 15 0.237 11.184 10.872 134 HG3 MET 15 1HG MET 15 -1.387 11.723 10.438 135 HE1 MET 15 3HE MET 15 -0.271 7.998 9.671 136 HE2 MET 15 1HE MET 15 -0.557 7.230 11.230 137 HE3 MET 15 2HE MET 15 0.747 8.404 11.055 138 H GLN 16 HN GLN 16 -1.430 10.559 6.352 139 HA GLN 16 HA GLN 16 0.599 9.286 4.883 140 HB2 GLN 16 2HB GLN 16 -2.319 9.767 4.160 141 HB3 GLN 16 1HB GLN 16 -1.283 8.514 3.467 142 HG2 GLN 16 2HG GLN 16 -1.188 7.301 5.482 143 HG3 GLN 16 1HG GLN 16 -1.743 8.663 6.447 144 HE21 GLN 16 1HE2 GLN 16 -2.747 5.878 6.190 145 HE22 GLN 16 2HE2 GLN 16 -4.423 6.051 5.814 146 H TYR 17 HN TYR 17 -1.562 11.861 3.903 147 HA TYR 17 HA TYR 17 -0.568 12.512 1.344 148 HB2 TYR 17 2HB TYR 17 -2.694 13.423 2.147 149 HB3 TYR 17 1HB TYR 17 -1.875 14.330 3.405 150 HD1 TYR 17 HD1 TYR 17 -1.583 14.035 -0.353 151 HD2 TYR 17 HD2 TYR 17 -1.864 16.633 3.027 152 HE1 TYR 17 HE1 TYR 17 -1.537 15.985 -1.843 153 HE2 TYR 17 HE2 TYR 17 -1.808 18.585 1.540 154 HH TYR 17 HH TYR 17 -0.975 19.118 -0.791 155 H GLU 18 HN GLU 18 0.443 13.749 4.520 156 HA GLU 18 HA GLU 18 2.511 15.486 3.691 157 HB2 GLU 18 2HB GLU 18 1.561 15.571 5.953 158 HB3 GLU 18 1HB GLU 18 2.127 13.941 6.287 159 HG2 GLU 18 2HG GLU 18 4.482 14.771 6.101 160 HG3 GLU 18 1HG GLU 18 3.851 16.403 5.895 161 H VAL 19 HN VAL 19 2.487 12.009 4.389 162 HA VAL 19 HA VAL 19 5.349 11.726 4.541 163 HB VAL 19 HB VAL 19 3.058 9.711 4.560 164 HG11 VAL 19 1HG1 VAL 19 4.982 8.622 3.443 165 HG12 VAL 19 2HG1 VAL 19 4.694 7.925 5.040 166 HG13 VAL 19 3HG1 VAL 19 6.020 9.070 4.799 167 HG21 VAL 19 3HG2 VAL 19 3.821 9.310 6.905 168 HG22 VAL 19 1HG2 VAL 19 3.345 10.995 6.641 169 HG23 VAL 19 2HG2 VAL 19 5.053 10.557 6.705 170 H THR 20 HN THR 20 2.951 10.295 2.264 171 HA THR 20 HA THR 20 4.785 9.312 0.406 172 HB THR 20 HB THR 20 2.376 8.589 0.594 173 HG1 THR 20 HG1 THR 20 2.124 8.414 -1.793 174 HG21 THR 20 3HG2 THR 20 1.268 10.806 0.620 175 HG22 THR 20 1HG2 THR 20 0.628 9.798 -0.679 176 HG23 THR 20 2HG2 THR 20 1.773 11.091 -1.046 177 H GLN 21 HN GLN 21 3.730 12.564 0.836 178 HA GLN 21 HA GLN 21 4.192 13.626 -1.774 179 HB2 GLN 21 2HB GLN 21 2.877 14.811 -0.024 180 HB3 GLN 21 1HB GLN 21 4.333 15.014 0.933 181 HG2 GLN 21 2HG GLN 21 3.824 17.100 -0.165 182 HG3 GLN 21 1HG GLN 21 5.296 16.433 -0.866 183 HE21 GLN 21 1HE2 GLN 21 1.935 17.160 -1.422 184 HE22 GLN 21 2HE2 GLN 21 1.955 16.940 -3.135 185 H ASN 22 HN ASN 22 6.228 13.048 1.035 186 HA ASN 22 HA ASN 22 8.620 14.087 -0.365 187 HB2 ASN 22 2HB ASN 22 7.658 15.566 1.534 188 HB3 ASN 22 1HB ASN 22 8.135 14.296 2.654 189 HD21 ASN 22 1HD2 ASN 22 10.375 13.995 3.066 190 HD22 ASN 22 2HD2 ASN 22 11.557 15.171 2.611 191 H ASN 23 HN ASN 23 7.258 11.332 0.215 192 HA ASN 23 HA ASN 23 7.754 9.181 0.686 193 HB2 ASN 23 2HB ASN 23 9.877 8.279 -0.172 194 HB3 ASN 23 1HB ASN 23 9.193 9.438 -1.284 195 HD21 ASN 23 1HD2 ASN 23 11.804 8.828 0.978 196 HD22 ASN 23 2HD2 ASN 23 12.843 10.081 0.394 197 H GLY 24 HN GLY 24 7.686 10.732 2.913 198 HA2 GLY 24 2HA GLY 24 9.897 10.385 4.685 199 HA3 GLY 24 1HA GLY 24 8.288 10.947 5.106 200 H THR 25 HN THR 25 9.354 9.552 6.934 201 HA THR 25 HA THR 25 7.978 6.927 6.843 202 HB THR 25 HB THR 25 10.405 6.506 6.968 203 HG1 THR 25 HG1 THR 25 10.281 5.420 9.172 204 HG21 THR 25 3HG2 THR 25 11.182 8.589 8.046 205 HG22 THR 25 1HG2 THR 25 11.745 7.175 8.938 206 HG23 THR 25 2HG2 THR 25 10.388 8.123 9.552 207 H GLU 26 HN GLU 26 6.576 6.527 8.503 208 HA GLU 26 HA GLU 26 6.576 8.158 10.914 209 HB2 GLU 26 2HB GLU 26 5.048 9.315 9.245 210 HB3 GLU 26 1HB GLU 26 4.047 7.867 9.222 211 HG2 GLU 26 2HG GLU 26 3.100 9.589 10.705 212 HG3 GLU 26 1HG GLU 26 3.552 8.141 11.606 213 HA PRO 27 HA PRO 27 5.997 3.719 12.090 214 HB2 PRO 27 2HB PRO 27 6.346 5.035 14.794 215 HB3 PRO 27 1HB PRO 27 7.112 3.576 14.143 216 HG2 PRO 27 2HG PRO 27 8.509 5.842 14.303 217 HG3 PRO 27 1HG PRO 27 8.667 4.797 12.874 218 HD2 PRO 27 2HD PRO 27 7.081 7.357 13.181 219 HD3 PRO 27 1HD PRO 27 8.107 6.817 11.831 220 HA PRO 28 HA PRO 28 1.622 3.918 13.220 221 HB2 PRO 28 2HB PRO 28 1.378 1.640 14.815 222 HB3 PRO 28 1HB PRO 28 1.399 1.621 13.049 223 HG2 PRO 28 2HG PRO 28 3.656 1.088 14.971 224 HG3 PRO 28 1HG PRO 28 3.231 0.217 13.483 225 HD2 PRO 28 2HD PRO 28 5.256 2.005 13.533 226 HD3 PRO 28 1HD PRO 28 4.213 1.839 12.100 227 H PHE 29 HN PHE 29 0.968 5.478 14.573 228 HA PHE 29 HA PHE 29 2.238 6.402 16.852 229 HB2 PHE 29 2HB PHE 29 -0.537 6.849 15.747 230 HB3 PHE 29 1HB PHE 29 -0.108 7.544 17.301 231 HD1 PHE 29 HD1 PHE 29 1.761 9.210 17.451 232 HD2 PHE 29 HD2 PHE 29 0.241 7.865 13.686 233 HE1 PHE 29 HE1 PHE 29 2.783 11.148 16.339 234 HE2 PHE 29 HE2 PHE 29 1.273 9.807 12.589 235 HZ PHE 29 HZ PHE 29 2.545 11.440 13.912 236 H GLN 30 HN GLN 30 2.283 5.822 18.887 237 HA GLN 30 HA GLN 30 1.847 5.033 20.942 238 HB2 GLN 30 2HB GLN 30 -0.252 6.423 20.520 239 HB3 GLN 30 1HB GLN 30 -1.082 4.929 20.115 240 HG2 GLN 30 2HG GLN 30 -0.735 4.097 22.402 241 HG3 GLN 30 1HG GLN 30 0.162 5.556 22.815 242 HE21 GLN 30 1HE2 GLN 30 -2.259 4.443 24.012 243 HE22 GLN 30 2HE2 GLN 30 -3.470 5.674 23.917 244 H ASN 31 HN ASN 31 2.061 3.094 18.512 245 HA ASN 31 HA ASN 31 0.601 0.733 19.156 246 HB2 ASN 31 2HB ASN 31 1.551 1.329 16.868 247 HB3 ASN 31 1HB ASN 31 3.151 0.939 17.483 248 HD21 ASN 31 1HD2 ASN 31 0.184 -0.850 18.239 249 HD22 ASN 31 2HD2 ASN 31 0.641 -2.288 17.412 250 H GLU 32 HN GLU 32 1.397 -1.206 20.151 251 HA GLU 32 HA GLU 32 2.791 -0.579 22.539 252 HB2 GLU 32 2HB GLU 32 2.328 -2.824 23.293 253 HB3 GLU 32 1HB GLU 32 0.914 -2.178 22.489 254 HG2 GLU 32 2HG GLU 32 2.826 -4.256 21.412 255 HG3 GLU 32 1HG GLU 32 1.174 -4.527 21.950 256 H TYR 33 HN TYR 33 3.762 -2.673 19.773 257 HA TYR 33 HA TYR 33 6.556 -2.619 20.787 258 HB2 TYR 33 2HB TYR 33 5.239 -4.668 18.953 259 HB3 TYR 33 1HB TYR 33 6.922 -4.698 19.456 260 HD1 TYR 33 HD2 TYR 33 7.157 -4.557 22.205 261 HD2 TYR 33 HD1 TYR 33 3.833 -6.180 20.059 262 HE1 TYR 33 HE2 TYR 33 6.550 -5.903 24.163 263 HE2 TYR 33 HE1 TYR 33 3.236 -7.537 22.022 264 HH TYR 33 HH TYR 33 4.614 -6.999 25.110 265 H TRP 34 HN TRP 34 4.532 -1.330 18.423 266 HA TRP 34 HA TRP 34 4.754 -0.268 16.440 267 HB2 TRP 34 2HB TRP 34 7.646 0.003 17.362 268 HB3 TRP 34 1HB TRP 34 6.993 0.842 15.957 269 HD1 TRP 34 HD1 TRP 34 5.098 2.744 16.443 270 HE1 TRP 34 HE1 TRP 34 4.674 4.203 18.506 271 HE3 TRP 34 HE3 TRP 34 7.761 0.071 19.918 272 HZ2 TRP 34 HZ2 TRP 34 5.350 4.246 21.234 273 HZ3 TRP 34 HZ3 TRP 34 7.812 0.896 22.243 274 HH2 TRP 34 HH2 TRP 34 6.633 2.938 22.887 275 H ASP 35 HN ASP 35 5.326 -3.233 16.643 276 HA ASP 35 HA ASP 35 7.338 -3.877 14.677 277 HB2 ASP 35 2HB ASP 35 6.829 -6.200 15.195 278 HB3 ASP 35 1HB ASP 35 6.907 -5.298 16.705 279 H HIS 36 HN HIS 36 3.833 -3.738 14.863 280 HA HIS 36 HA HIS 36 2.132 -3.913 13.417 281 HB2 HIS 36 2HB HIS 36 2.319 -2.556 11.365 282 HB3 HIS 36 1HB HIS 36 3.012 -1.740 12.755 283 HD1 HIS 36 HD1 HIS 36 5.513 -1.187 12.663 284 HD2 HIS 36 HD2 HIS 36 4.148 -3.257 9.326 285 HE1 HIS 36 HE1 HIS 36 7.331 -0.974 10.945 286 HE2 HIS 36 HE2 HIS 36 6.442 -2.146 8.904 287 H LYS 37 HN LYS 37 3.534 -6.307 13.594 288 HA LYS 37 HA LYS 37 3.730 -7.497 10.909 289 HB2 LYS 37 2HB LYS 37 4.351 -8.665 13.661 290 HB3 LYS 37 1HB LYS 37 4.679 -9.456 12.127 291 HG2 LYS 37 2HG LYS 37 5.955 -6.857 13.027 292 HG3 LYS 37 1HG LYS 37 6.685 -8.448 13.229 293 HD2 LYS 37 2HD LYS 37 5.975 -7.175 10.554 294 HD3 LYS 37 1HD LYS 37 7.591 -7.211 11.258 295 HE2 LYS 37 2HE LYS 37 7.411 -9.765 11.233 296 HE3 LYS 37 1HE LYS 37 5.953 -9.566 10.256 297 HZ1 LYS 37 3HZ LYS 37 7.764 -9.911 8.806 298 HZ2 LYS 37 1HZ LYS 37 8.718 -8.743 9.571 299 HZ3 LYS 37 2HZ LYS 37 7.360 -8.276 8.681 300 H GLU 38 HN GLU 38 1.061 -6.747 12.105 301 HA GLU 38 HA GLU 38 -0.350 -9.165 12.666 302 HB2 GLU 38 2HB GLU 38 -1.339 -6.452 11.709 303 HB3 GLU 38 1HB GLU 38 -2.411 -7.801 12.078 304 HG2 GLU 38 2HG GLU 38 -1.486 -7.830 14.414 305 HG3 GLU 38 1HG GLU 38 -0.565 -6.376 14.027 306 H GLU 39 HN GLU 39 -0.951 -10.738 11.329 307 HA GLU 39 HA GLU 39 -0.407 -10.421 8.441 308 HB2 GLU 39 2HB GLU 39 0.928 -12.094 9.822 309 HB3 GLU 39 1HB GLU 39 -0.559 -13.011 10.040 310 HG2 GLU 39 2HG GLU 39 -0.699 -13.442 7.655 311 HG3 GLU 39 1HG GLU 39 0.658 -12.360 7.345 312 H GLY 40 HN GLY 40 -1.836 -11.517 6.949 313 HA2 GLY 40 2HA GLY 40 -4.308 -12.351 6.858 314 HA3 GLY 40 1HA GLY 40 -4.606 -10.778 7.615 315 H LEU 41 HN LEU 41 -4.703 -8.984 6.288 316 HA LEU 41 HA LEU 41 -3.487 -9.145 3.597 317 HB2 LEU 41 2HB LEU 41 -6.078 -7.858 4.477 318 HB3 LEU 41 1HB LEU 41 -5.245 -7.291 3.038 319 HG LEU 41 HG LEU 41 -6.296 -10.123 3.455 320 HD11 LEU 41 1HD1 LEU 41 -7.318 -7.913 1.661 321 HD12 LEU 41 2HD1 LEU 41 -8.066 -8.464 3.167 322 HD13 LEU 41 3HD1 LEU 41 -7.955 -9.558 1.792 323 HD21 LEU 41 3HD2 LEU 41 -5.002 -8.875 1.005 324 HD22 LEU 41 1HD2 LEU 41 -5.772 -10.467 1.067 325 HD23 LEU 41 2HD2 LEU 41 -4.325 -10.153 2.018 326 H TYR 42 HN TYR 42 -2.666 -7.284 2.753 327 HA TYR 42 HA TYR 42 -1.693 -5.163 4.574 328 HB2 TYR 42 2HB TYR 42 0.022 -6.611 3.494 329 HB3 TYR 42 1HB TYR 42 -0.650 -6.265 1.915 330 HD1 TYR 42 HD2 TYR 42 -0.469 -3.807 1.048 331 HD2 TYR 42 HD1 TYR 42 1.757 -5.280 4.386 332 HE1 TYR 42 HE2 TYR 42 1.200 -2.036 0.713 333 HE2 TYR 42 HE1 TYR 42 3.420 -3.522 4.044 334 HH TYR 42 HH TYR 42 2.962 -0.841 2.215 335 H VAL 43 HN VAL 43 -2.897 -3.271 4.290 336 HA VAL 43 HA VAL 43 -4.088 -2.763 1.615 337 HB VAL 43 HB VAL 43 -6.297 -2.393 2.350 338 HG11 VAL 43 1HG1 VAL 43 -5.451 -4.839 3.942 339 HG12 VAL 43 2HG1 VAL 43 -5.801 -4.801 2.214 340 HG13 VAL 43 3HG1 VAL 43 -7.092 -4.479 3.377 341 HG21 VAL 43 3HG2 VAL 43 -7.111 -2.331 4.677 342 HG22 VAL 43 1HG2 VAL 43 -5.907 -1.078 4.377 343 HG23 VAL 43 2HG2 VAL 43 -5.460 -2.536 5.264 344 H ASP 44 HN ASP 44 -4.734 -0.555 1.262 345 HA ASP 44 HA ASP 44 -3.210 1.465 2.738 346 HB2 ASP 44 2HB ASP 44 -3.906 2.986 0.920 347 HB3 ASP 44 1HB ASP 44 -3.227 1.510 0.251 348 H ILE 45 HN ILE 45 -4.149 2.783 4.258 349 HA ILE 45 HA ILE 45 -6.826 2.288 5.159 350 HB ILE 45 HB ILE 45 -5.467 4.843 6.063 351 HG12 ILE 45 2HG1 ILE 45 -4.574 2.096 6.991 352 HG13 ILE 45 1HG1 ILE 45 -3.621 3.192 6.011 353 HG21 ILE 45 1HG2 ILE 45 -6.450 4.232 8.248 354 HG22 ILE 45 2HG2 ILE 45 -7.032 2.705 7.580 355 HG23 ILE 45 3HG2 ILE 45 -7.686 4.233 6.985 356 HD11 ILE 45 3HD1 ILE 45 -2.888 3.236 8.293 357 HD12 ILE 45 1HD1 ILE 45 -4.505 3.652 8.857 358 HD13 ILE 45 2HD1 ILE 45 -3.587 4.798 7.871 359 H VAL 46 HN VAL 46 -5.483 4.550 2.931 360 HA VAL 46 HA VAL 46 -7.360 6.659 3.058 361 HB VAL 46 HB VAL 46 -6.454 7.263 0.733 362 HG11 VAL 46 1HG1 VAL 46 -4.406 6.762 2.924 363 HG12 VAL 46 2HG1 VAL 46 -5.464 8.169 2.809 364 HG13 VAL 46 3HG1 VAL 46 -4.233 7.891 1.573 365 HG21 VAL 46 3HG2 VAL 46 -4.676 4.830 1.220 366 HG22 VAL 46 1HG2 VAL 46 -4.458 6.017 -0.081 367 HG23 VAL 46 2HG2 VAL 46 -5.890 4.978 -0.048 368 H SER 47 HN SER 47 -7.484 3.608 1.278 369 HA SER 47 HA SER 47 -10.265 4.276 0.451 370 HB2 SER 47 2HB SER 47 -8.625 4.283 -1.477 371 HB3 SER 47 1HB SER 47 -8.321 2.577 -1.162 372 HG SER 47 HG SER 47 -9.916 2.331 -2.489 373 H GLY 48 HN GLY 48 -8.281 2.294 2.236 374 HA2 GLY 48 2HA GLY 48 -8.557 0.371 3.462 375 HA3 GLY 48 1HA GLY 48 -10.282 0.558 3.201 376 H LYS 49 HN LYS 49 -7.844 0.009 0.663 377 HA LYS 49 HA LYS 49 -9.403 -2.369 -0.205 378 HB2 LYS 49 2HB LYS 49 -7.612 -0.500 -1.792 379 HB3 LYS 49 1HB LYS 49 -8.461 -1.886 -2.467 380 HG2 LYS 49 2HG LYS 49 -9.819 0.515 -1.218 381 HG3 LYS 49 1HG LYS 49 -9.496 0.322 -2.940 382 HD2 LYS 49 2HD LYS 49 -10.879 -1.837 -2.815 383 HD3 LYS 49 1HD LYS 49 -11.383 -1.302 -1.206 384 HE2 LYS 49 2HE LYS 49 -13.036 -0.663 -2.941 385 HE3 LYS 49 1HE LYS 49 -12.328 0.763 -2.178 386 HZ1 LYS 49 3HZ LYS 49 -12.477 0.971 -4.599 387 HZ2 LYS 49 1HZ LYS 49 -11.471 -0.376 -4.788 388 HZ3 LYS 49 2HZ LYS 49 -10.871 1.031 -4.074 389 HA PRO 50 HA PRO 50 -5.755 -4.956 0.487 390 HB2 PRO 50 2HB PRO 50 -6.796 -6.608 -1.802 391 HB3 PRO 50 1HB PRO 50 -6.423 -7.094 -0.143 392 HG2 PRO 50 2HG PRO 50 -8.963 -6.859 -0.939 393 HG3 PRO 50 1HG PRO 50 -8.474 -6.336 0.687 394 HD2 PRO 50 2HD PRO 50 -8.970 -4.645 -1.772 395 HD3 PRO 50 1HD PRO 50 -9.481 -4.367 -0.088 396 H LEU 51 HN LEU 51 -3.800 -4.394 -0.189 397 HA LEU 51 HA LEU 51 -3.213 -3.594 -2.965 398 HB2 LEU 51 2HB LEU 51 -1.476 -3.440 -0.457 399 HB3 LEU 51 1HB LEU 51 -1.054 -2.787 -2.036 400 HG LEU 51 HG LEU 51 -3.269 -1.812 -0.196 401 HD11 LEU 51 1HD1 LEU 51 -0.718 -0.457 -1.116 402 HD12 LEU 51 2HD1 LEU 51 -1.057 -1.086 0.498 403 HD13 LEU 51 3HD1 LEU 51 -1.981 0.276 -0.124 404 HD21 LEU 51 3HD2 LEU 51 -4.062 -1.716 -2.509 405 HD22 LEU 51 1HD2 LEU 51 -2.606 -0.837 -2.995 406 HD23 LEU 51 2HD2 LEU 51 -3.761 -0.092 -1.885 407 H PHE 52 HN PHE 52 -2.445 -5.954 -0.532 408 HA PHE 52 HA PHE 52 -2.218 -8.074 -2.312 409 HB2 PHE 52 2HB PHE 52 0.132 -8.814 -2.085 410 HB3 PHE 52 1HB PHE 52 0.006 -7.300 -2.959 411 HD1 PHE 52 HD1 PHE 52 1.086 -8.836 0.256 412 HD2 PHE 52 HD2 PHE 52 1.112 -5.305 -2.144 413 HE1 PHE 52 HE1 PHE 52 2.858 -7.889 1.659 414 HE2 PHE 52 HE2 PHE 52 2.887 -4.365 -0.728 415 HZ PHE 52 HZ PHE 52 3.765 -5.663 1.171 416 H THR 53 HN THR 53 -1.160 -10.090 -1.003 417 HA THR 53 HA THR 53 -2.641 -10.082 1.537 418 HB THR 53 HB THR 53 -3.241 -11.907 0.079 419 HG1 THR 53 HG1 THR 53 -3.088 -13.468 1.569 420 HG21 THR 53 3HG2 THR 53 -0.322 -12.730 0.030 421 HG22 THR 53 1HG2 THR 53 -1.226 -12.050 -1.327 422 HG23 THR 53 2HG2 THR 53 -1.663 -13.632 -0.677 423 H SER 54 HN SER 54 -1.743 -10.669 3.476 424 HA SER 54 HA SER 54 0.981 -9.835 3.835 425 HB2 SER 54 2HB SER 54 -0.791 -9.018 5.342 426 HB3 SER 54 1HB SER 54 -1.082 -10.662 5.901 427 HG SER 54 HG SER 54 1.202 -10.622 6.579 428 H LYS 55 HN LYS 55 -0.559 -12.899 3.480 429 HA LYS 55 HA LYS 55 1.423 -14.478 4.834 430 HB2 LYS 55 2HB LYS 55 0.440 -16.385 3.744 431 HB3 LYS 55 1HB LYS 55 -0.869 -15.298 4.192 432 HG2 LYS 55 2HG LYS 55 -1.035 -14.500 1.876 433 HG3 LYS 55 1HG LYS 55 0.325 -15.527 1.414 434 HD2 LYS 55 2HD LYS 55 -1.055 -17.526 2.145 435 HD3 LYS 55 1HD LYS 55 -2.424 -16.429 2.355 436 HE2 LYS 55 2HE LYS 55 -2.459 -15.914 -0.005 437 HE3 LYS 55 1HE LYS 55 -0.928 -16.749 -0.266 438 HZ1 LYS 55 3HZ LYS 55 -2.675 -18.144 -0.997 439 HZ2 LYS 55 1HZ LYS 55 -3.523 -17.976 0.457 440 HZ3 LYS 55 2HZ LYS 55 -2.057 -18.821 0.421 441 H ASP 56 HN ASP 56 1.410 -12.726 1.873 442 HA ASP 56 HA ASP 56 3.995 -13.902 1.016 443 HB2 ASP 56 2HB ASP 56 1.855 -12.452 -0.612 444 HB3 ASP 56 1HB ASP 56 3.457 -12.826 -1.235 445 H LYS 57 HN LYS 57 3.336 -11.750 3.075 446 HA LYS 57 HA LYS 57 4.112 -9.202 1.931 447 HB2 LYS 57 2HB LYS 57 2.546 -9.377 3.870 448 HB3 LYS 57 1HB LYS 57 3.844 -10.018 4.863 449 HG2 LYS 57 2HG LYS 57 5.043 -7.864 4.718 450 HG3 LYS 57 1HG LYS 57 3.796 -7.239 3.631 451 HD2 LYS 57 2HD LYS 57 3.449 -6.394 5.915 452 HD3 LYS 57 1HD LYS 57 2.109 -7.433 5.432 453 HE2 LYS 57 2HE LYS 57 3.268 -9.314 6.707 454 HE3 LYS 57 1HE LYS 57 4.381 -8.100 7.339 455 HZ1 LYS 57 3HZ LYS 57 2.477 -6.949 8.314 456 HZ2 LYS 57 1HZ LYS 57 2.587 -8.543 8.865 457 HZ3 LYS 57 2HZ LYS 57 1.431 -8.134 7.705 458 H PHE 58 HN PHE 58 6.070 -8.163 2.139 459 HA PHE 58 HA PHE 58 8.397 -9.822 2.894 460 HB2 PHE 58 2HB PHE 58 8.289 -8.908 0.540 461 HB3 PHE 58 1HB PHE 58 8.318 -7.274 1.196 462 HD1 PHE 58 HD2 PHE 58 10.283 -10.475 1.249 463 HD2 PHE 58 HD1 PHE 58 10.414 -6.207 1.479 464 HE1 PHE 58 HE2 PHE 58 12.740 -10.547 1.261 465 HE2 PHE 58 HE1 PHE 58 12.864 -6.290 1.488 466 HZ PHE 58 HZ PHE 58 14.030 -8.453 1.378 467 H ASP 59 HN ASP 59 10.068 -8.839 4.155 468 HA ASP 59 HA ASP 59 9.192 -7.362 6.386 469 HB2 ASP 59 2HB ASP 59 11.968 -8.060 5.376 470 HB3 ASP 59 1HB ASP 59 11.727 -7.163 6.868 471 H SER 60 HN SER 60 9.825 -5.307 7.140 472 HA SER 60 HA SER 60 9.878 -3.190 5.191 473 HB2 SER 60 2HB SER 60 9.899 -1.747 7.300 474 HB3 SER 60 1HB SER 60 8.528 -2.842 7.152 475 HG SER 60 HG SER 60 9.383 -2.907 9.231 476 H GLN 61 HN GLN 61 11.842 -4.015 4.227 477 HA GLN 61 HA GLN 61 14.329 -4.261 5.561 478 HB2 GLN 61 2HB GLN 61 13.679 -5.537 3.540 479 HB3 GLN 61 1HB GLN 61 13.679 -4.054 2.595 480 HG2 GLN 61 2HG GLN 61 16.106 -3.829 2.911 481 HG3 GLN 61 1HG GLN 61 16.123 -5.267 3.928 482 HE21 GLN 61 1HE2 GLN 61 15.823 -4.067 0.667 483 HE22 GLN 61 2HE2 GLN 61 16.046 -5.583 -0.131 484 H CYS 62 HN CYS 62 12.852 -1.711 3.637 485 HA CYS 62 HA CYS 62 15.029 0.161 4.398 486 HB2 CYS 62 2HB CYS 62 13.305 0.216 1.890 487 HB3 CYS 62 1HB CYS 62 14.591 1.357 2.287 488 HG CYS 62 HG CYS 62 16.098 -1.431 2.456 489 H GLY 63 HN GLY 63 12.738 -0.533 5.975 490 HA2 GLY 63 2HA GLY 63 11.539 0.819 7.470 491 HA3 GLY 63 1HA GLY 63 11.516 2.127 6.299 492 H TRP 64 HN TRP 64 10.493 0.801 4.069 493 HA TRP 64 HA TRP 64 7.720 0.158 4.877 494 HB2 TRP 64 2HB TRP 64 8.737 0.819 2.076 495 HB3 TRP 64 1HB TRP 64 7.062 0.747 2.611 496 HD1 TRP 64 HD1 TRP 64 7.757 2.647 5.323 497 HE1 TRP 64 HE1 TRP 64 7.974 5.177 4.904 498 HE3 TRP 64 HE3 TRP 64 8.535 2.572 0.271 499 HZ2 TRP 64 HZ2 TRP 64 8.398 6.903 2.729 500 HZ3 TRP 64 HZ3 TRP 64 8.826 4.713 -0.910 501 HH2 TRP 64 HH2 TRP 64 8.756 6.835 0.306 502 HA PRO 65 HA PRO 65 8.389 -4.132 3.535 503 HB2 PRO 65 2HB PRO 65 5.441 -4.238 3.030 504 HB3 PRO 65 1HB PRO 65 6.423 -5.200 4.144 505 HG2 PRO 65 2HG PRO 65 4.760 -3.315 5.073 506 HG3 PRO 65 1HG PRO 65 6.348 -3.567 5.831 507 HD2 PRO 65 2HD PRO 65 5.536 -1.464 3.796 508 HD3 PRO 65 1HD PRO 65 6.430 -1.258 5.324 509 H SER 66 HN SER 66 9.261 -4.474 1.576 510 HA SER 66 HA SER 66 8.107 -3.136 -0.793 511 HB2 SER 66 2HB SER 66 10.436 -3.327 -1.705 512 HB3 SER 66 1HB SER 66 10.319 -2.354 -0.239 513 HG SER 66 HG SER 66 11.113 -5.087 -0.340 514 H PHE 67 HN PHE 67 6.711 -4.612 -1.597 515 HA PHE 67 HA PHE 67 7.495 -7.417 -1.954 516 HB2 PHE 67 2HB PHE 67 5.259 -6.737 -0.941 517 HB3 PHE 67 1HB PHE 67 4.802 -6.100 -2.514 518 HD1 PHE 67 HD1 PHE 67 6.623 -9.312 -1.783 519 HD2 PHE 67 HD2 PHE 67 2.987 -7.500 -3.086 520 HE1 PHE 67 HE1 PHE 67 5.738 -11.512 -2.425 521 HE2 PHE 67 HE2 PHE 67 2.115 -9.701 -3.706 522 HZ PHE 67 HZ PHE 67 3.489 -11.705 -3.387 523 H THR 68 HN THR 68 6.344 -8.233 -4.183 524 HA THR 68 HA THR 68 7.991 -7.008 -6.271 525 HB THR 68 HB THR 68 6.873 -9.822 -5.926 526 HG1 THR 68 HG1 THR 68 9.223 -8.546 -5.099 527 HG21 THR 68 3HG2 THR 68 8.524 -10.487 -7.635 528 HG22 THR 68 1HG2 THR 68 8.948 -8.791 -7.876 529 HG23 THR 68 2HG2 THR 68 7.331 -9.364 -8.288 530 H LYS 69 HN LYS 69 4.652 -7.411 -5.438 531 HA LYS 69 HA LYS 69 3.730 -6.468 -7.999 532 HB2 LYS 69 2HB LYS 69 2.156 -8.340 -8.463 533 HB3 LYS 69 1HB LYS 69 3.838 -8.839 -8.575 534 HG2 LYS 69 2HG LYS 69 3.731 -10.035 -6.516 535 HG3 LYS 69 1HG LYS 69 2.194 -9.298 -6.079 536 HD2 LYS 69 2HD LYS 69 1.881 -11.622 -6.751 537 HD3 LYS 69 1HD LYS 69 1.059 -10.542 -7.870 538 HE2 LYS 69 2HE LYS 69 3.819 -11.602 -8.509 539 HE3 LYS 69 1HE LYS 69 2.390 -12.592 -8.798 540 HZ1 LYS 69 3HZ LYS 69 2.953 -9.933 -9.984 541 HZ2 LYS 69 1HZ LYS 69 1.520 -10.800 -10.205 542 HZ3 LYS 69 2HZ LYS 69 2.981 -11.422 -10.778 543 HA PRO 70 HA PRO 70 0.317 -5.309 -5.208 544 HB2 PRO 70 2HB PRO 70 -0.668 -3.315 -6.617 545 HB3 PRO 70 1HB PRO 70 1.015 -3.233 -6.073 546 HG2 PRO 70 2HG PRO 70 -0.056 -3.874 -8.818 547 HG3 PRO 70 1HG PRO 70 1.362 -2.903 -8.367 548 HD2 PRO 70 2HD PRO 70 1.352 -5.677 -9.080 549 HD3 PRO 70 1HD PRO 70 2.716 -4.757 -8.407 550 H ILE 71 HN ILE 71 -2.109 -4.861 -5.487 551 HA ILE 71 HA ILE 71 -3.431 -6.795 -7.287 552 HB ILE 71 HB ILE 71 -4.492 -5.310 -4.838 553 HG12 ILE 71 2HG1 ILE 71 -4.062 -8.293 -5.319 554 HG13 ILE 71 1HG1 ILE 71 -2.997 -7.263 -4.366 555 HG21 ILE 71 1HG2 ILE 71 -6.625 -6.546 -5.120 556 HG22 ILE 71 2HG2 ILE 71 -6.035 -7.198 -6.651 557 HG23 ILE 71 3HG2 ILE 71 -6.310 -5.464 -6.482 558 HD11 ILE 71 3HD1 ILE 71 -5.866 -7.951 -3.717 559 HD12 ILE 71 1HD1 ILE 71 -4.828 -6.882 -2.761 560 HD13 ILE 71 2HD1 ILE 71 -4.425 -8.594 -2.934 561 H GLU 72 HN GLU 72 -4.593 -6.070 -9.011 562 HA GLU 72 HA GLU 72 -4.060 -3.506 -10.064 563 HB2 GLU 72 2HB GLU 72 -5.398 -4.241 -12.004 564 HB3 GLU 72 1HB GLU 72 -4.301 -5.506 -11.469 565 HG2 GLU 72 2HG GLU 72 -6.137 -6.701 -10.381 566 HG3 GLU 72 1HG GLU 72 -7.257 -5.408 -10.791 567 H GLU 73 HN GLU 73 -6.565 -4.496 -7.986 568 HA GLU 73 HA GLU 73 -8.834 -3.164 -8.960 569 HB2 GLU 73 2HB GLU 73 -8.567 -5.013 -7.115 570 HB3 GLU 73 1HB GLU 73 -8.329 -3.675 -6.003 571 HG2 GLU 73 2HG GLU 73 -10.783 -4.146 -7.711 572 HG3 GLU 73 1HG GLU 73 -10.647 -4.561 -6.011 573 H GLU 74 HN GLU 74 -6.433 -2.128 -6.508 574 HA GLU 74 HA GLU 74 -7.548 0.629 -6.623 575 HB2 GLU 74 2HB GLU 74 -7.749 -0.619 -4.420 576 HB3 GLU 74 1HB GLU 74 -5.992 -0.642 -4.319 577 HG2 GLU 74 2HG GLU 74 -7.105 1.145 -2.949 578 HG3 GLU 74 1HG GLU 74 -5.886 1.744 -4.073 579 H VAL 75 HN VAL 75 -5.089 -1.021 -7.950 580 HA VAL 75 HA VAL 75 -3.055 1.063 -7.421 581 HB VAL 75 HB VAL 75 -2.411 -1.887 -7.885 582 HG11 VAL 75 1HG1 VAL 75 -0.635 0.475 -7.156 583 HG12 VAL 75 2HG1 VAL 75 -0.662 -0.368 -8.707 584 HG13 VAL 75 3HG1 VAL 75 -0.107 -1.204 -7.258 585 HG21 VAL 75 3HG2 VAL 75 -1.728 -1.959 -5.508 586 HG22 VAL 75 1HG2 VAL 75 -3.452 -1.610 -5.671 587 HG23 VAL 75 2HG2 VAL 75 -2.319 -0.310 -5.286 588 H GLU 76 HN GLU 76 -1.946 1.756 -9.093 589 HA GLU 76 HA GLU 76 -2.242 0.771 -11.808 590 HB2 GLU 76 2HB GLU 76 -4.258 2.147 -11.613 591 HB3 GLU 76 1HB GLU 76 -3.342 3.467 -10.899 592 HG2 GLU 76 2HG GLU 76 -2.189 3.848 -13.026 593 HG3 GLU 76 1HG GLU 76 -3.037 2.478 -13.748 594 H GLU 77 HN GLU 77 -0.251 1.030 -12.719 595 HA GLU 77 HA GLU 77 1.733 2.630 -11.258 596 HB2 GLU 77 2HB GLU 77 3.437 1.339 -12.442 597 HB3 GLU 77 1HB GLU 77 2.295 0.253 -11.675 598 HG2 GLU 77 2HG GLU 77 1.307 -0.328 -13.778 599 HG3 GLU 77 1HG GLU 77 2.160 0.968 -14.613 600 H LYS 78 HN LYS 78 2.907 4.258 -12.228 601 HA LYS 78 HA LYS 78 2.358 5.034 -15.021 602 HB2 LYS 78 2HB LYS 78 1.990 6.859 -12.608 603 HB3 LYS 78 1HB LYS 78 2.217 7.485 -14.236 604 HG2 LYS 78 2HG LYS 78 -0.102 5.779 -13.266 605 HG3 LYS 78 1HG LYS 78 -0.146 7.498 -13.661 606 HD2 LYS 78 2HD LYS 78 0.386 5.235 -15.630 607 HD3 LYS 78 1HD LYS 78 -1.131 6.118 -15.466 608 HE2 LYS 78 2HE LYS 78 -0.080 8.163 -16.260 609 HE3 LYS 78 1HE LYS 78 1.510 7.400 -16.264 610 HZ1 LYS 78 3HZ LYS 78 0.497 7.541 -18.461 611 HZ2 LYS 78 1HZ LYS 78 -0.767 6.544 -17.951 612 HZ3 LYS 78 2HZ LYS 78 0.816 5.946 -18.006 613 H LEU 79 HN LEU 79 4.229 5.112 -15.955 614 HA LEU 79 HA LEU 79 6.742 5.092 -14.680 615 HB2 LEU 79 2HB LEU 79 6.132 4.114 -16.967 616 HB3 LEU 79 1HB LEU 79 6.176 5.747 -17.604 617 HG LEU 79 HG LEU 79 8.594 5.903 -16.920 618 HD11 LEU 79 1HD1 LEU 79 8.610 4.246 -15.128 619 HD12 LEU 79 2HD1 LEU 79 9.825 3.866 -16.347 620 HD13 LEU 79 3HD1 LEU 79 8.315 2.951 -16.296 621 HD21 LEU 79 3HD2 LEU 79 7.997 5.364 -19.233 622 HD22 LEU 79 1HD2 LEU 79 7.941 3.644 -18.838 623 HD23 LEU 79 2HD2 LEU 79 9.470 4.523 -18.753 624 H ASP 80 HN ASP 80 8.383 6.720 -14.683 625 HA ASP 80 HA ASP 80 7.719 9.460 -15.394 626 HB2 ASP 80 2HB ASP 80 6.918 9.224 -13.004 627 HB3 ASP 80 1HB ASP 80 8.540 8.735 -12.531 628 H THR 81 HN THR 81 9.520 10.561 -15.964 629 HA THR 81 HA THR 81 12.147 9.909 -15.006 630 HB THR 81 HB THR 81 12.167 8.264 -16.744 631 HG1 THR 81 HG1 THR 81 14.006 9.713 -16.571 632 HG21 THR 81 3HG2 THR 81 10.274 9.000 -18.144 633 HG22 THR 81 1HG2 THR 81 11.713 8.699 -19.124 634 HG23 THR 81 2HG2 THR 81 11.234 10.354 -18.749 635 H SER 82 HN SER 82 11.595 11.970 -14.170 636 HA SER 82 HA SER 82 11.151 14.319 -15.561 637 HB2 SER 82 2HB SER 82 11.005 14.063 -13.090 638 HB3 SER 82 1HB SER 82 12.763 13.966 -13.002 639 HG SER 82 HG SER 82 11.449 16.095 -12.760 640 H HIS 83 HN HIS 83 14.345 13.139 -14.392 641 HA HIS 83 HA HIS 83 15.656 13.349 -16.881 642 HB2 HIS 83 2HB HIS 83 15.650 15.774 -16.583 643 HB3 HIS 83 1HB HIS 83 16.272 15.636 -14.942 644 HD1 HIS 83 HD1 HIS 83 18.772 15.503 -14.656 645 HD2 HIS 83 HD2 HIS 83 17.625 15.174 -18.638 646 HE1 HIS 83 HE1 HIS 83 20.904 15.592 -15.975 647 HE2 HIS 83 HE2 HIS 83 20.198 15.189 -18.353 648 H GLY 84 HN GLY 84 17.330 11.971 -16.814 649 HA2 GLY 84 2HA GLY 84 19.427 11.232 -16.160 650 HA3 GLY 84 1HA GLY 84 19.196 11.956 -14.579 651 H MET 85 HN MET 85 16.528 10.473 -14.332 652 HA MET 85 HA MET 85 17.480 7.714 -13.929 653 HB2 MET 85 2HB MET 85 16.258 9.430 -11.708 654 HB3 MET 85 1HB MET 85 16.533 7.697 -11.596 655 HG2 MET 85 2HG MET 85 18.947 8.035 -11.715 656 HG3 MET 85 1HG MET 85 18.711 9.760 -11.975 657 HE1 MET 85 3HE MET 85 17.043 7.173 -9.406 658 HE2 MET 85 1HE MET 85 17.992 7.546 -7.969 659 HE3 MET 85 2HE MET 85 18.771 6.827 -9.378 660 H ILE 86 HN ILE 86 15.925 6.196 -14.174 661 HA ILE 86 HA ILE 86 13.201 6.967 -14.941 662 HB ILE 86 HB ILE 86 14.603 5.396 -16.381 663 HG12 ILE 86 2HG1 ILE 86 12.756 3.712 -16.793 664 HG13 ILE 86 1HG1 ILE 86 11.953 4.304 -15.338 665 HG21 ILE 86 1HG2 ILE 86 14.882 3.032 -15.728 666 HG22 ILE 86 2HG2 ILE 86 14.209 3.386 -14.136 667 HG23 ILE 86 3HG2 ILE 86 15.743 4.110 -14.627 668 HD11 ILE 86 3HD1 ILE 86 11.737 6.503 -16.361 669 HD12 ILE 86 1HD1 ILE 86 11.007 5.249 -17.360 670 HD13 ILE 86 2HD1 ILE 86 12.576 5.921 -17.802 671 H ARG 87 HN ARG 87 11.330 5.988 -13.858 672 HA ARG 87 HA ARG 87 11.478 4.120 -11.776 673 HB2 ARG 87 2HB ARG 87 10.974 5.363 -9.790 674 HB3 ARG 87 1HB ARG 87 12.376 6.161 -10.478 675 HG2 ARG 87 2HG ARG 87 9.526 7.157 -10.814 676 HG3 ARG 87 1HG ARG 87 10.605 7.695 -9.531 677 HD2 ARG 87 2HD ARG 87 11.147 8.026 -12.502 678 HD3 ARG 87 1HD ARG 87 10.489 9.275 -11.440 679 HE ARG 87 HE ARG 87 13.014 8.102 -10.639 680 HH11 ARG 87 1HH1 ARG 87 11.480 10.800 -12.269 681 HH12 ARG 87 2HH1 ARG 87 12.838 11.857 -12.029 682 HH21 ARG 87 1HH2 ARG 87 14.780 9.474 -10.349 683 HH22 ARG 87 2HH2 ARG 87 14.713 11.100 -10.955 684 H THR 88 HN THR 88 9.237 4.162 -10.590 685 HA THR 88 HA THR 88 7.061 5.062 -12.370 686 HB THR 88 HB THR 88 7.283 2.199 -11.317 687 HG1 THR 88 HG1 THR 88 8.252 3.376 -13.578 688 HG21 THR 88 3HG2 THR 88 5.273 3.411 -13.250 689 HG22 THR 88 1HG2 THR 88 4.936 3.000 -11.566 690 HG23 THR 88 2HG2 THR 88 5.335 1.728 -12.722 691 H GLU 89 HN GLU 89 5.175 5.633 -11.228 692 HA GLU 89 HA GLU 89 5.191 5.336 -8.262 693 HB2 GLU 89 2HB GLU 89 3.702 7.367 -8.257 694 HB3 GLU 89 1HB GLU 89 5.336 7.668 -8.832 695 HG2 GLU 89 2HG GLU 89 4.562 7.648 -11.156 696 HG3 GLU 89 1HG GLU 89 2.916 7.292 -10.624 697 H VAL 90 HN VAL 90 3.185 4.761 -7.202 698 HA VAL 90 HA VAL 90 1.175 3.572 -9.034 699 HB VAL 90 HB VAL 90 0.495 2.076 -7.078 700 HG11 VAL 90 1HG1 VAL 90 2.275 0.420 -7.537 701 HG12 VAL 90 2HG1 VAL 90 3.268 1.685 -8.273 702 HG13 VAL 90 3HG1 VAL 90 1.732 1.223 -9.014 703 HG21 VAL 90 3HG2 VAL 90 1.607 3.262 -5.234 704 HG22 VAL 90 1HG2 VAL 90 3.189 2.929 -5.946 705 HG23 VAL 90 2HG2 VAL 90 2.193 1.602 -5.341 706 H ARG 91 HN ARG 91 -0.531 4.679 -9.190 707 HA ARG 91 HA ARG 91 -1.259 6.731 -7.252 708 HB2 ARG 91 2HB ARG 91 -2.694 7.615 -9.112 709 HB3 ARG 91 1HB ARG 91 -0.974 7.571 -9.473 710 HG2 ARG 91 2HG ARG 91 -1.286 5.581 -10.870 711 HG3 ARG 91 1HG ARG 91 -3.006 5.548 -10.474 712 HD2 ARG 91 2HD ARG 91 -1.645 7.879 -11.867 713 HD3 ARG 91 1HD ARG 91 -2.459 6.565 -12.711 714 HE ARG 91 HE ARG 91 -4.529 7.240 -11.602 715 HH11 ARG 91 1HH1 ARG 91 -1.969 9.660 -11.671 716 HH12 ARG 91 2HH1 ARG 91 -3.073 10.991 -11.620 717 HH21 ARG 91 1HH2 ARG 91 -5.940 8.985 -11.546 718 HH22 ARG 91 2HH2 ARG 91 -5.326 10.604 -11.529 719 H SER 92 HN SER 92 -3.052 6.652 -6.081 720 HA SER 92 HA SER 92 -4.901 4.433 -6.218 721 HB2 SER 92 2HB SER 92 -4.121 5.410 -4.057 722 HB3 SER 92 1HB SER 92 -4.912 6.927 -4.476 723 HG SER 92 HG SER 92 -6.142 4.405 -4.023 724 H ARG 93 HN ARG 93 -7.318 5.191 -5.927 725 HA ARG 93 HA ARG 93 -8.014 6.157 -8.561 726 HB2 ARG 93 2HB ARG 93 -9.166 4.189 -7.680 727 HB3 ARG 93 1HB ARG 93 -9.686 5.078 -6.258 728 HG2 ARG 93 2HG ARG 93 -11.554 4.760 -7.778 729 HG3 ARG 93 1HG ARG 93 -11.163 6.476 -7.666 730 HD2 ARG 93 2HD ARG 93 -9.916 6.279 -9.830 731 HD3 ARG 93 1HD ARG 93 -10.438 4.593 -9.944 732 HE ARG 93 HE ARG 93 -12.640 6.396 -9.590 733 HH11 ARG 93 1HH1 ARG 93 -10.490 5.150 -12.080 734 HH12 ARG 93 2HH1 ARG 93 -11.646 5.403 -13.343 735 HH21 ARG 93 1HH2 ARG 93 -14.106 6.703 -11.257 736 HH22 ARG 93 2HH2 ARG 93 -13.679 6.292 -12.885 737 H THR 94 HN THR 94 -8.140 7.376 -5.245 738 HA THR 94 HA THR 94 -9.951 9.450 -5.464 739 HB THR 94 HB THR 94 -7.358 9.522 -3.856 740 HG1 THR 94 HG1 THR 94 -9.920 8.456 -3.159 741 HG21 THR 94 3HG2 THR 94 -8.632 10.933 -2.262 742 HG22 THR 94 1HG2 THR 94 -10.027 10.905 -3.344 743 HG23 THR 94 2HG2 THR 94 -8.536 11.703 -3.845 744 H ALA 95 HN ALA 95 -6.419 10.469 -5.415 745 HA ALA 95 HA ALA 95 -6.887 11.539 -8.146 746 HB1 ALA 95 3HB ALA 95 -5.753 13.642 -7.671 747 HB2 ALA 95 1HB ALA 95 -5.477 13.154 -5.993 748 HB3 ALA 95 2HB ALA 95 -7.120 13.427 -6.579 749 H ASP 96 HN ASP 96 -4.111 11.285 -5.833 750 HA ASP 96 HA ASP 96 -2.383 11.198 -8.236 751 HB2 ASP 96 2HB ASP 96 -2.407 13.373 -7.042 752 HB3 ASP 96 1HB ASP 96 -1.782 12.577 -5.604 753 H SER 97 HN SER 97 -1.934 10.403 -4.691 754 HA SER 97 HA SER 97 -0.198 8.162 -5.431 755 HB2 SER 97 2HB SER 97 1.782 9.175 -4.218 756 HB3 SER 97 1HB SER 97 1.350 10.010 -5.712 757 HG SER 97 HG SER 97 0.620 11.686 -4.614 758 H HIS 98 HN HIS 98 -2.638 8.445 -3.895 759 HA HIS 98 HA HIS 98 -2.266 8.676 -1.133 760 HB2 HIS 98 2HB HIS 98 -4.419 7.844 -2.937 761 HB3 HIS 98 1HB HIS 98 -4.451 6.897 -1.467 762 HD1 HIS 98 HD1 HIS 98 -6.848 8.421 -1.697 763 HD2 HIS 98 HD2 HIS 98 -3.406 10.212 -0.218 764 HE1 HIS 98 HE1 HIS 98 -7.641 10.395 -0.375 765 HE2 HIS 98 HE2 HIS 98 -5.559 11.359 0.633 766 H LEU 99 HN LEU 99 -1.889 5.840 -3.227 767 HA LEU 99 HA LEU 99 -1.253 3.952 -1.207 768 HB2 LEU 99 2HB LEU 99 -0.134 3.935 -4.037 769 HB3 LEU 99 1HB LEU 99 -0.459 2.554 -2.998 770 HG LEU 99 HG LEU 99 -2.602 4.327 -4.232 771 HD11 LEU 99 1HD1 LEU 99 -1.428 3.158 -5.982 772 HD12 LEU 99 2HD1 LEU 99 -3.040 2.482 -5.775 773 HD13 LEU 99 3HD1 LEU 99 -1.635 1.611 -5.146 774 HD21 LEU 99 3HD2 LEU 99 -4.172 2.548 -3.575 775 HD22 LEU 99 1HD2 LEU 99 -3.384 3.288 -2.181 776 HD23 LEU 99 2HD2 LEU 99 -2.865 1.696 -2.750 777 H GLY 100 HN GLY 100 1.107 5.260 -3.627 778 HA2 GLY 100 2HA GLY 100 3.235 5.987 -2.025 779 HA3 GLY 100 1HA GLY 100 3.284 4.225 -2.068 780 H HIS 101 HN HIS 101 5.276 4.241 -3.226 781 HA HIS 101 HA HIS 101 5.118 4.929 -6.094 782 HB2 HIS 101 2HB HIS 101 7.333 5.914 -4.213 783 HB3 HIS 101 1HB HIS 101 7.396 6.017 -5.970 784 HD1 HIS 101 HD1 HIS 101 5.316 7.357 -3.081 785 HD2 HIS 101 HD2 HIS 101 6.288 8.327 -7.003 786 HE1 HIS 101 HE1 HIS 101 4.297 9.607 -3.484 787 HE2 HIS 101 HE2 HIS 101 5.064 10.251 -5.786 788 H VAL 102 HN VAL 102 6.927 3.840 -7.326 789 HA VAL 102 HA VAL 102 7.999 1.463 -5.925 790 HB VAL 102 HB VAL 102 7.360 -0.101 -7.683 791 HG11 VAL 102 1HG1 VAL 102 4.906 1.457 -6.785 792 HG12 VAL 102 2HG1 VAL 102 5.740 0.212 -5.851 793 HG13 VAL 102 3HG1 VAL 102 4.924 -0.215 -7.356 794 HG21 VAL 102 3HG2 VAL 102 5.864 0.498 -9.549 795 HG22 VAL 102 1HG2 VAL 102 7.392 1.379 -9.626 796 HG23 VAL 102 2HG2 VAL 102 5.933 2.195 -9.059 797 H PHE 103 HN PHE 103 9.980 0.763 -6.603 798 HA PHE 103 HA PHE 103 11.413 2.619 -8.430 799 HB2 PHE 103 2HB PHE 103 12.509 0.935 -6.129 800 HB3 PHE 103 1HB PHE 103 13.436 2.076 -7.108 801 HD1 PHE 103 HD1 PHE 103 12.679 4.556 -7.109 802 HD2 PHE 103 HD2 PHE 103 11.371 1.723 -4.180 803 HE1 PHE 103 HE1 PHE 103 12.000 6.393 -5.626 804 HE2 PHE 103 HE2 PHE 103 10.692 3.574 -2.706 805 HZ PHE 103 HZ PHE 103 10.998 5.905 -3.427 806 H ASN 104 HN ASN 104 12.774 1.868 -10.015 807 HA ASN 104 HA ASN 104 12.338 -0.870 -10.944 808 HB2 ASN 104 2HB ASN 104 12.154 1.209 -12.444 809 HB3 ASN 104 1HB ASN 104 13.901 1.358 -12.340 810 HD21 ASN 104 1HD2 ASN 104 11.260 -0.674 -13.511 811 HD22 ASN 104 2HD2 ASN 104 12.194 -1.531 -14.683 812 H ASP 105 HN ASP 105 13.805 -0.687 -8.578 813 HA ASP 105 HA ASP 105 16.512 -1.633 -9.306 814 HB2 ASP 105 2HB ASP 105 16.638 0.537 -8.146 815 HB3 ASP 105 1HB ASP 105 15.645 -0.069 -6.827 816 H GLY 106 HN GLY 106 13.555 -2.204 -7.632 817 HA2 GLY 106 2HA GLY 106 14.626 -4.163 -5.732 818 HA3 GLY 106 1HA GLY 106 12.975 -3.585 -5.821 819 HA PRO 107 HA PRO 107 13.306 -8.068 -7.396 820 HB2 PRO 107 2HB PRO 107 11.300 -9.053 -5.746 821 HB3 PRO 107 1HB PRO 107 13.009 -9.013 -5.293 822 HG2 PRO 107 2HG PRO 107 10.825 -7.045 -4.600 823 HG3 PRO 107 1HG PRO 107 12.058 -7.758 -3.534 824 HD2 PRO 107 2HD PRO 107 12.362 -5.270 -4.514 825 HD3 PRO 107 1HD PRO 107 13.763 -6.356 -4.363 826 H GLY 108 HN GLY 108 11.861 -8.897 -9.056 827 HA2 GLY 108 2HA GLY 108 9.397 -7.868 -9.733 828 HA3 GLY 108 1HA GLY 108 10.556 -6.674 -10.299 829 HA PRO 109 HA PRO 109 10.521 -10.586 -13.398 830 HB2 PRO 109 2HB PRO 109 7.503 -10.347 -13.404 831 HB3 PRO 109 1HB PRO 109 8.516 -11.756 -13.760 832 HG2 PRO 109 2HG PRO 109 7.256 -11.577 -11.414 833 HG3 PRO 109 1HG PRO 109 8.920 -12.201 -11.484 834 HD2 PRO 109 2HD PRO 109 7.935 -9.498 -10.603 835 HD3 PRO 109 1HD PRO 109 9.251 -10.493 -9.940 836 H ASN 110 HN ASN 110 8.158 -7.919 -12.961 837 HA ASN 110 HA ASN 110 8.510 -6.839 -15.634 838 HB2 ASN 110 2HB ASN 110 6.351 -6.635 -14.329 839 HB3 ASN 110 1HB ASN 110 7.172 -5.578 -13.183 840 HD21 ASN 110 1HD2 ASN 110 5.916 -3.766 -13.596 841 HD22 ASN 110 2HD2 ASN 110 5.902 -2.934 -15.109 842 H GLY 111 HN GLY 111 9.737 -6.287 -12.380 843 HA2 GLY 111 2HA GLY 111 12.020 -5.659 -12.061 844 HA3 GLY 111 1HA GLY 111 11.925 -4.620 -13.472 845 H LEU 112 HN LEU 112 9.422 -4.635 -10.992 846 HA LEU 112 HA LEU 112 10.271 -1.919 -10.126 847 HB2 LEU 112 2HB LEU 112 7.466 -3.050 -10.492 848 HB3 LEU 112 1HB LEU 112 7.789 -1.549 -9.633 849 HG LEU 112 HG LEU 112 8.454 -2.061 -12.558 850 HD11 LEU 112 1HD1 LEU 112 6.046 -1.917 -12.243 851 HD12 LEU 112 2HD1 LEU 112 6.646 -0.493 -13.086 852 HD13 LEU 112 3HD1 LEU 112 6.222 -0.389 -11.375 853 HD21 LEU 112 3HD2 LEU 112 10.036 -0.502 -11.536 854 HD22 LEU 112 1HD2 LEU 112 8.705 0.487 -10.926 855 HD23 LEU 112 2HD2 LEU 112 8.981 0.343 -12.664 856 H ARG 113 HN ARG 113 9.329 -1.344 -7.923 857 HA ARG 113 HA ARG 113 9.513 -3.622 -6.011 858 HB2 ARG 113 2HB ARG 113 11.682 -2.471 -6.125 859 HB3 ARG 113 1HB ARG 113 10.905 -0.910 -5.905 860 HG2 ARG 113 2HG ARG 113 10.193 -1.650 -3.614 861 HG3 ARG 113 1HG ARG 113 11.134 -3.129 -3.840 862 HD2 ARG 113 2HD ARG 113 13.187 -1.826 -4.052 863 HD3 ARG 113 1HD ARG 113 12.278 -0.312 -3.965 864 HE ARG 113 HE ARG 113 12.518 -2.263 -1.746 865 HH11 ARG 113 1HH1 ARG 113 12.394 1.080 -2.835 866 HH12 ARG 113 2HH1 ARG 113 12.275 1.719 -1.231 867 HH21 ARG 113 1HH2 ARG 113 12.377 -1.410 0.339 868 HH22 ARG 113 2HH2 ARG 113 12.268 0.303 0.569 869 H TYR 114 HN TYR 114 7.469 -3.661 -5.148 870 HA TYR 114 HA TYR 114 5.839 -1.275 -5.036 871 HB2 TYR 114 2HB TYR 114 4.940 -3.539 -5.731 872 HB3 TYR 114 1HB TYR 114 5.134 -4.083 -4.063 873 HD1 TYR 114 HD2 TYR 114 3.623 -1.172 -5.920 874 HD2 TYR 114 HD1 TYR 114 3.159 -3.974 -2.727 875 HE1 TYR 114 HE2 TYR 114 1.440 -0.201 -5.390 876 HE2 TYR 114 HE1 TYR 114 0.964 -2.997 -2.194 877 HH TYR 114 HH TYR 114 -0.599 -0.736 -4.256 878 H CYS 115 HN CYS 115 6.366 0.133 -3.434 879 HA CYS 115 HA CYS 115 6.729 -0.877 -0.675 880 HB2 CYS 115 2HB CYS 115 8.597 0.782 -0.374 881 HB3 CYS 115 1HB CYS 115 8.984 -0.517 -1.496 882 HG CYS 115 HG CYS 115 7.852 2.441 -2.734 883 H ILE 116 HN ILE 116 5.409 0.138 0.662 884 HA ILE 116 HA ILE 116 4.084 2.658 -0.179 885 HB ILE 116 HB ILE 116 2.662 0.272 1.112 886 HG12 ILE 116 2HG1 ILE 116 3.209 -0.240 -1.238 887 HG13 ILE 116 1HG1 ILE 116 1.476 -0.030 -1.038 888 HG21 ILE 116 1HG2 ILE 116 1.664 2.413 1.779 889 HG22 ILE 116 2HG2 ILE 116 0.573 1.542 0.699 890 HG23 ILE 116 3HG2 ILE 116 1.523 2.895 0.085 891 HD11 ILE 116 3HD1 ILE 116 2.262 0.962 -3.103 892 HD12 ILE 116 1HD1 ILE 116 3.383 1.993 -2.211 893 HD13 ILE 116 2HD1 ILE 116 1.641 2.205 -2.020 894 H ASN 117 HN ASN 117 3.471 4.005 1.587 895 HA ASN 117 HA ASN 117 5.580 3.935 3.536 896 HB2 ASN 117 2HB ASN 117 4.875 6.221 4.057 897 HB3 ASN 117 1HB ASN 117 5.056 6.001 2.326 898 HD21 ASN 117 1HD2 ASN 117 3.164 5.974 1.008 899 HD22 ASN 117 2HD2 ASN 117 1.676 6.636 1.577 900 H SER 118 HN SER 118 5.392 3.834 5.746 901 HA SER 118 HA SER 118 3.636 1.982 6.815 902 HB2 SER 118 2HB SER 118 5.233 4.031 8.402 903 HB3 SER 118 1HB SER 118 4.708 2.433 8.952 904 HG SER 118 HG SER 118 6.933 2.603 8.203 905 H ALA 119 HN ALA 119 3.342 5.471 6.790 906 HA ALA 119 HA ALA 119 1.284 5.798 8.714 907 HB1 ALA 119 3HB ALA 119 2.698 7.663 7.945 908 HB2 ALA 119 1HB ALA 119 0.986 8.033 7.714 909 HB3 ALA 119 2HB ALA 119 1.984 7.556 6.336 910 H ALA 120 HN ALA 120 1.277 5.076 5.235 911 HA ALA 120 HA ALA 120 -1.625 5.421 4.982 912 HB1 ALA 120 3HB ALA 120 -1.287 4.917 2.608 913 HB2 ALA 120 1HB ALA 120 0.396 4.486 2.912 914 HB3 ALA 120 2HB ALA 120 -0.145 6.153 3.147 915 H LEU 121 HN LEU 121 0.029 3.014 6.405 916 HA LEU 121 HA LEU 121 -1.224 0.786 4.967 917 HB2 LEU 121 2HB LEU 121 1.067 0.838 6.947 918 HB3 LEU 121 1HB LEU 121 0.384 -0.637 6.260 919 HG LEU 121 HG LEU 121 1.777 1.585 4.746 920 HD11 LEU 121 1HD1 LEU 121 2.537 -1.299 5.211 921 HD12 LEU 121 2HD1 LEU 121 3.288 0.133 5.943 922 HD13 LEU 121 3HD1 LEU 121 3.413 -0.136 4.206 923 HD21 LEU 121 3HD2 LEU 121 1.438 0.136 2.734 924 HD22 LEU 121 1HD2 LEU 121 -0.040 0.847 3.373 925 HD23 LEU 121 2HD2 LEU 121 0.327 -0.854 3.682 926 H ARG 122 HN ARG 122 -2.483 -0.616 5.800 927 HA ARG 122 HA ARG 122 -3.195 -0.630 8.644 928 HB2 ARG 122 2HB ARG 122 -4.942 0.692 7.583 929 HB3 ARG 122 1HB ARG 122 -5.129 -0.470 6.282 930 HG2 ARG 122 2HG ARG 122 -6.981 -0.566 7.902 931 HG3 ARG 122 1HG ARG 122 -6.096 -2.082 7.810 932 HD2 ARG 122 2HD ARG 122 -4.846 -1.375 9.892 933 HD3 ARG 122 1HD ARG 122 -5.960 -0.009 10.014 934 HE ARG 122 HE ARG 122 -7.647 -2.099 9.856 935 HH11 ARG 122 1HH1 ARG 122 -4.846 -1.592 11.884 936 HH12 ARG 122 2HH1 ARG 122 -5.477 -2.517 13.206 937 HH21 ARG 122 1HH2 ARG 122 -8.465 -3.323 11.588 938 HH22 ARG 122 2HH2 ARG 122 -7.529 -3.486 13.037 939 H PHE 123 HN PHE 123 -2.673 -2.514 9.251 940 HA PHE 123 HA PHE 123 -2.485 -4.837 7.453 941 HB2 PHE 123 2HB PHE 123 -1.171 -5.649 9.724 942 HB3 PHE 123 1HB PHE 123 -0.365 -4.771 8.431 943 HD1 PHE 123 HD1 PHE 123 0.110 -2.319 8.679 944 HD2 PHE 123 HD2 PHE 123 -1.518 -4.587 11.923 945 HE1 PHE 123 HE1 PHE 123 0.634 -0.488 10.228 946 HE2 PHE 123 HE2 PHE 123 -0.974 -2.753 13.467 947 HZ PHE 123 HZ PHE 123 0.095 -0.701 12.621 948 H VAL 124 HN VAL 124 -4.201 -6.214 7.563 949 HA VAL 124 HA VAL 124 -5.967 -6.036 9.941 950 HB VAL 124 HB VAL 124 -7.107 -6.506 7.163 951 HG11 VAL 124 1HG1 VAL 124 -8.331 -5.462 9.750 952 HG12 VAL 124 2HG1 VAL 124 -8.521 -7.089 9.088 953 HG13 VAL 124 3HG1 VAL 124 -9.198 -5.705 8.232 954 HG21 VAL 124 3HG2 VAL 124 -5.963 -4.355 6.968 955 HG22 VAL 124 1HG2 VAL 124 -6.758 -3.770 8.434 956 HG23 VAL 124 2HG2 VAL 124 -7.711 -4.117 6.988 957 HA PRO 125 HA PRO 125 -5.020 -10.569 9.771 958 HB2 PRO 125 2HB PRO 125 -6.771 -10.185 12.215 959 HB3 PRO 125 1HB PRO 125 -5.354 -11.228 12.000 960 HG2 PRO 125 2HG PRO 125 -5.084 -8.941 13.298 961 HG3 PRO 125 1HG PRO 125 -3.847 -9.418 12.111 962 HD2 PRO 125 2HD PRO 125 -6.069 -7.391 11.836 963 HD3 PRO 125 1HD PRO 125 -4.392 -7.318 11.248 964 H LYS 126 HN LYS 126 -6.323 -12.334 9.243 965 HA LYS 126 HA LYS 126 -8.657 -11.920 7.753 966 HB2 LYS 126 2HB LYS 126 -8.818 -14.359 7.587 967 HB3 LYS 126 1HB LYS 126 -7.147 -13.836 7.392 968 HG2 LYS 126 2HG LYS 126 -6.702 -14.462 9.764 969 HG3 LYS 126 1HG LYS 126 -8.356 -15.051 9.910 970 HD2 LYS 126 2HD LYS 126 -6.217 -16.144 8.037 971 HD3 LYS 126 1HD LYS 126 -6.786 -16.901 9.525 972 HE2 LYS 126 2HE LYS 126 -9.059 -17.108 8.516 973 HE3 LYS 126 1HE LYS 126 -8.425 -16.424 7.018 974 HZ1 LYS 126 3HZ LYS 126 -8.466 -18.770 6.841 975 HZ2 LYS 126 1HZ LYS 126 -7.628 -18.972 8.293 976 HZ3 LYS 126 2HZ LYS 126 -6.846 -18.305 6.955 977 H HIS 127 HN HIS 127 -8.341 -12.181 11.115 978 HA HIS 127 HA HIS 127 -10.981 -13.209 11.740 979 HB2 HIS 127 2HB HIS 127 -8.953 -11.839 13.569 980 HB3 HIS 127 1HB HIS 127 -10.338 -12.802 14.080 981 HD1 HIS 127 HD1 HIS 127 -6.817 -13.087 12.975 982 HD2 HIS 127 HD2 HIS 127 -10.025 -15.615 13.720 983 HE1 HIS 127 HE1 HIS 127 -5.840 -15.392 13.072 984 HE2 HIS 127 HE2 HIS 127 -7.828 -16.911 13.333 985 H LYS 128 HN LYS 128 -9.403 -10.127 11.255 986 HA LYS 128 HA LYS 128 -11.693 -8.545 12.229 987 HB2 LYS 128 2HB LYS 128 -8.994 -7.604 11.166 988 HB3 LYS 128 1HB LYS 128 -10.225 -6.595 11.928 989 HG2 LYS 128 2HG LYS 128 -9.905 -7.845 14.051 990 HG3 LYS 128 1HG LYS 128 -8.642 -8.807 13.269 991 HD2 LYS 128 2HD LYS 128 -7.358 -6.685 12.843 992 HD3 LYS 128 1HD LYS 128 -8.587 -5.797 13.752 993 HE2 LYS 128 2HE LYS 128 -8.043 -7.162 15.765 994 HE3 LYS 128 1HE LYS 128 -6.798 -8.002 14.840 995 HZ1 LYS 128 3HZ LYS 128 -5.604 -5.948 14.595 996 HZ2 LYS 128 1HZ LYS 128 -5.913 -6.236 16.234 997 HZ3 LYS 128 2HZ LYS 128 -6.825 -5.089 15.399 998 H LEU 129 HN LEU 129 -10.180 -9.731 9.346 999 HA LEU 129 HA LEU 129 -11.268 -7.968 7.425 1000 HB2 LEU 129 2HB LEU 129 -10.353 -10.835 7.232 1001 HB3 LEU 129 1HB LEU 129 -10.912 -9.924 5.837 1002 HG LEU 129 HG LEU 129 -8.477 -9.225 7.514 1003 HD11 LEU 129 1HD1 LEU 129 -7.161 -10.015 5.637 1004 HD12 LEU 129 2HD1 LEU 129 -8.627 -10.422 4.729 1005 HD13 LEU 129 3HD1 LEU 129 -8.224 -11.310 6.203 1006 HD21 LEU 129 3HD2 LEU 129 -7.999 -7.595 5.750 1007 HD22 LEU 129 1HD2 LEU 129 -9.532 -7.248 6.551 1008 HD23 LEU 129 2HD2 LEU 129 -9.523 -7.997 4.950 1009 H LYS 130 HN LYS 130 -12.606 -10.860 9.048 1010 HA LYS 130 HA LYS 130 -14.931 -11.314 7.697 1011 HB2 LYS 130 2HB LYS 130 -14.608 -11.050 10.716 1012 HB3 LYS 130 1HB LYS 130 -15.923 -11.900 9.914 1013 HG2 LYS 130 2HG LYS 130 -12.993 -12.685 9.828 1014 HG3 LYS 130 1HG LYS 130 -14.217 -13.414 10.863 1015 HD2 LYS 130 2HD LYS 130 -14.147 -13.501 7.831 1016 HD3 LYS 130 1HD LYS 130 -13.769 -14.828 8.927 1017 HE2 LYS 130 2HE LYS 130 -16.486 -13.511 8.597 1018 HE3 LYS 130 1HE LYS 130 -16.010 -15.092 7.986 1019 HZ1 LYS 130 3HZ LYS 130 -16.123 -14.353 10.861 1020 HZ2 LYS 130 1HZ LYS 130 -15.752 -15.877 10.233 1021 HZ3 LYS 130 2HZ LYS 130 -17.300 -15.239 10.032 1022 H GLU 131 HN GLU 131 -14.364 -8.840 10.157 1023 HA GLU 131 HA GLU 131 -16.807 -7.467 9.976 1024 HB2 GLU 131 2HB GLU 131 -15.166 -7.325 11.869 1025 HB3 GLU 131 1HB GLU 131 -14.100 -6.372 10.841 1026 HG2 GLU 131 2HG GLU 131 -15.942 -4.655 10.666 1027 HG3 GLU 131 1HG GLU 131 -16.859 -5.594 11.843 1028 H GLU 132 HN GLU 132 -13.697 -7.040 8.209 1029 HA GLU 132 HA GLU 132 -14.428 -4.612 6.930 1030 HB2 GLU 132 2HB GLU 132 -12.305 -6.667 6.170 1031 HB3 GLU 132 1HB GLU 132 -12.420 -5.033 5.527 1032 HG2 GLU 132 2HG GLU 132 -11.815 -5.802 8.391 1033 HG3 GLU 132 1HG GLU 132 -10.673 -5.169 7.209 1034 H GLY 133 HN GLY 133 -15.400 -7.915 6.292 1035 HA2 GLY 133 2HA GLY 133 -17.105 -8.249 4.636 1036 HA3 GLY 133 1HA GLY 133 -16.279 -7.113 3.579 1037 H TYR 134 HN TYR 134 -15.104 -9.839 5.531 1038 HA TYR 134 HA TYR 134 -13.276 -11.154 4.317 1039 HB2 TYR 134 2HB TYR 134 -14.195 -13.322 5.038 1040 HB3 TYR 134 1HB TYR 134 -14.453 -12.076 6.248 1041 HD1 TYR 134 HD2 TYR 134 -16.798 -11.144 6.588 1042 HD2 TYR 134 HD1 TYR 134 -16.089 -14.471 4.001 1043 HE1 TYR 134 HE2 TYR 134 -19.194 -11.696 6.623 1044 HE2 TYR 134 HE1 TYR 134 -18.479 -15.021 4.041 1045 HH TYR 134 HH TYR 134 -20.819 -12.911 5.014 1046 H GLU 135 HN GLU 135 -16.521 -11.273 2.864 1047 HA GLU 135 HA GLU 135 -16.304 -13.275 1.013 1048 HB2 GLU 135 2HB GLU 135 -18.366 -11.973 1.479 1049 HB3 GLU 135 1HB GLU 135 -17.696 -10.593 0.617 1050 HG2 GLU 135 2HG GLU 135 -17.767 -11.813 -1.486 1051 HG3 GLU 135 1HG GLU 135 -18.264 -13.284 -0.657 1052 H SER 136 HN SER 136 -15.145 -9.917 0.609 1053 HA SER 136 HA SER 136 -14.014 -10.492 -2.022 1054 HB2 SER 136 2HB SER 136 -14.032 -7.924 -0.376 1055 HB3 SER 136 1HB SER 136 -13.536 -8.075 -2.067 1056 HG SER 136 HG SER 136 -15.910 -9.132 -1.978 1057 H TYR 137 HN TYR 137 -13.038 -9.836 1.315 1058 HA TYR 137 HA TYR 137 -10.303 -9.206 0.726 1059 HB2 TYR 137 2HB TYR 137 -11.850 -9.607 3.317 1060 HB3 TYR 137 1HB TYR 137 -10.116 -9.300 3.309 1061 HD1 TYR 137 HD2 TYR 137 -13.375 -7.838 2.227 1062 HD2 TYR 137 HD1 TYR 137 -9.283 -7.077 3.121 1063 HE1 TYR 137 HE2 TYR 137 -13.793 -5.436 2.079 1064 HE2 TYR 137 HE1 TYR 137 -9.691 -4.666 2.965 1065 HH TYR 137 HH TYR 137 -11.372 -3.171 1.800 1066 H LEU 138 HN LEU 138 -11.801 -11.946 2.497 1067 HA LEU 138 HA LEU 138 -9.429 -13.504 2.641 1068 HB2 LEU 138 2HB LEU 138 -12.335 -14.120 3.210 1069 HB3 LEU 138 1HB LEU 138 -11.174 -15.440 3.144 1070 HG LEU 138 HG LEU 138 -9.865 -14.428 4.976 1071 HD11 LEU 138 1HD1 LEU 138 -10.688 -12.473 6.197 1072 HD12 LEU 138 2HD1 LEU 138 -11.958 -12.254 4.990 1073 HD13 LEU 138 3HD1 LEU 138 -10.262 -12.080 4.533 1074 HD21 LEU 138 3HD2 LEU 138 -12.800 -14.621 5.704 1075 HD22 LEU 138 1HD2 LEU 138 -11.438 -14.674 6.831 1076 HD23 LEU 138 2HD2 LEU 138 -11.650 -15.966 5.641 1077 H HIS 139 HN HIS 139 -11.750 -13.112 0.094 1078 HA HIS 139 HA HIS 139 -11.172 -15.484 -1.381 1079 HB2 HIS 139 2HB HIS 139 -13.108 -14.044 -1.929 1080 HB3 HIS 139 1HB HIS 139 -12.029 -12.739 -2.407 1081 HD1 HIS 139 HD1 HIS 139 -10.988 -12.857 -4.734 1082 HD2 HIS 139 HD2 HIS 139 -13.243 -16.222 -3.780 1083 HE1 HIS 139 HE1 HIS 139 -11.162 -14.181 -6.866 1084 HE2 HIS 139 HE2 HIS 139 -12.458 -16.248 -6.254 1085 H LEU 140 HN LEU 140 -9.772 -12.185 -1.495 1086 HA LEU 140 HA LEU 140 -7.733 -12.786 -3.446 1087 HB2 LEU 140 2HB LEU 140 -7.940 -10.467 -1.474 1088 HB3 LEU 140 1HB LEU 140 -6.822 -10.546 -2.829 1089 HG LEU 140 HG LEU 140 -9.859 -10.464 -3.087 1090 HD11 LEU 140 1HD1 LEU 140 -7.834 -8.259 -3.564 1091 HD12 LEU 140 2HD1 LEU 140 -8.982 -8.359 -2.226 1092 HD13 LEU 140 3HD1 LEU 140 -9.573 -8.166 -3.874 1093 HD21 LEU 140 3HD2 LEU 140 -9.459 -10.114 -5.497 1094 HD22 LEU 140 1HD2 LEU 140 -8.815 -11.666 -4.957 1095 HD23 LEU 140 2HD2 LEU 140 -7.723 -10.311 -5.245 1096 H PHE 141 HN PHE 141 -7.817 -12.566 0.075 1097 HA PHE 141 HA PHE 141 -5.142 -13.152 0.705 1098 HB2 PHE 141 2HB PHE 141 -6.652 -12.344 2.424 1099 HB3 PHE 141 1HB PHE 141 -7.740 -13.706 2.193 1100 HD1 PHE 141 HD1 PHE 141 -4.144 -13.075 3.093 1101 HD2 PHE 141 HD2 PHE 141 -7.641 -15.429 3.804 1102 HE1 PHE 141 HE1 PHE 141 -2.960 -14.307 4.854 1103 HE2 PHE 141 HE2 PHE 141 -6.448 -16.652 5.575 1104 HZ PHE 141 HZ PHE 141 -4.104 -16.091 6.096 1105 H ASN 142 HN ASN 142 -7.886 -15.284 -0.092 1106 HA ASN 142 HA ASN 142 -6.327 -17.714 0.287 1107 HB2 ASN 142 2HB ASN 142 -8.727 -17.783 0.823 1108 HB3 ASN 142 1HB ASN 142 -9.131 -17.336 -0.830 1109 HD21 ASN 142 1HD2 ASN 142 -6.626 -19.709 0.081 1110 HD22 ASN 142 2HD2 ASN 142 -7.457 -21.073 -0.580 1111 H LYS 143 HN LYS 143 -4.688 -16.805 -1.165 1112 HA LYS 143 HA LYS 143 -5.050 -17.374 -4.011 1113 HB2 LYS 143 2HB LYS 143 -3.577 -15.503 -3.175 1114 HB3 LYS 143 1HB LYS 143 -2.560 -16.694 -2.374 1115 HG2 LYS 143 2HG LYS 143 -2.147 -17.692 -4.703 1116 HG3 LYS 143 1HG LYS 143 -2.903 -16.235 -5.354 1117 HD2 LYS 143 2HD LYS 143 -0.402 -16.373 -3.626 1118 HD3 LYS 143 1HD LYS 143 -0.465 -15.995 -5.348 1119 HE2 LYS 143 2HE LYS 143 -1.701 -13.918 -4.850 1120 HE3 LYS 143 1HE LYS 143 -1.677 -14.309 -3.129 1121 HZ1 LYS 143 3HZ LYS 143 0.713 -14.168 -3.161 1122 HZ2 LYS 143 1HZ LYS 143 0.034 -12.729 -3.727 1123 HZ3 LYS 143 2HZ LYS 143 0.713 -13.829 -4.818 1124 H LEU 144 HN LEU 144 -5.879 -19.528 -3.253 1125 HA LEU 144 HA LEU 144 -4.002 -21.639 -3.516 1126 HB2 LEU 144 2HB LEU 144 -3.522 -21.089 -1.133 1127 HB3 LEU 144 1HB LEU 144 -5.221 -21.277 -0.742 1128 HG LEU 144 HG LEU 144 -5.049 -23.713 -1.398 1129 HD11 LEU 144 1HD1 LEU 144 -3.150 -23.607 -2.905 1130 HD12 LEU 144 2HD1 LEU 144 -2.852 -24.769 -1.614 1131 HD13 LEU 144 3HD1 LEU 144 -2.076 -23.184 -1.567 1132 HD21 LEU 144 3HD2 LEU 144 -4.956 -23.080 0.962 1133 HD22 LEU 144 1HD2 LEU 144 -3.209 -22.855 0.859 1134 HD23 LEU 144 2HD2 LEU 144 -3.908 -24.462 0.648 1135 H GLU 145 HN GLU 145 -5.032 -23.409 -4.211 1136 HA GLU 145 HA GLU 145 -7.894 -23.838 -3.573 1137 HB2 GLU 145 2HB GLU 145 -8.075 -25.169 -5.676 1138 HB3 GLU 145 1HB GLU 145 -7.714 -23.483 -5.995 1139 HG2 GLU 145 2HG GLU 145 -5.642 -25.703 -6.055 1140 HG3 GLU 145 1HG GLU 145 -6.517 -25.144 -7.475 1141 H HIS 146 HN HIS 146 -8.237 -25.607 -2.367 1142 HA HIS 146 HA HIS 146 -6.089 -27.129 -1.282 1143 HB2 HIS 146 2HB HIS 146 -8.217 -26.601 -0.063 1144 HB3 HIS 146 1HB HIS 146 -9.088 -27.694 -1.133 1145 HD1 HIS 146 HD1 HIS 146 -9.698 -29.620 0.322 1146 HD2 HIS 146 HD2 HIS 146 -5.772 -28.414 0.947 1147 HE1 HIS 146 HE1 HIS 146 -8.750 -31.259 1.974 1148 HE2 HIS 146 HE2 HIS 146 -6.394 -30.479 2.378 1149 H HIS 147 HN HIS 147 -8.660 -27.867 -3.607 1150 HA HIS 147 HA HIS 147 -6.972 -29.319 -5.324 1151 HB2 HIS 147 2HB HIS 147 -8.058 -31.572 -5.263 1152 HB3 HIS 147 1HB HIS 147 -7.216 -31.199 -3.770 1153 HD1 HIS 147 HD1 HIS 147 -8.619 -30.953 -1.637 1154 HD2 HIS 147 HD2 HIS 147 -10.861 -31.830 -5.018 1155 HE1 HIS 147 HE1 HIS 147 -10.893 -31.586 -0.787 1156 HE2 HIS 147 HE2 HIS 147 -12.281 -31.902 -2.858
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