NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15930 | 1z4h | 6762 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -11.006 13.434 -7.719 2 2H MET 1 HT2 MET 1 -12.171 12.548 -8.566 3 3H MET 1 HT3 MET 1 -10.649 11.865 -8.255 4 HA MET 1 HA MET 1 -12.724 12.551 -6.261 5 1HB MET 1 HB2 MET 1 -11.608 9.907 -7.213 6 2HB MET 1 HB1 MET 1 -12.661 10.088 -5.819 7 1HG MET 1 HG2 MET 1 -13.998 9.352 -7.627 8 2HG MET 1 HG1 MET 1 -14.387 11.045 -7.346 9 1HE MET 1 HE1 MET 1 -14.807 10.566 -11.234 10 2HE MET 1 HE2 MET 1 -15.618 10.987 -9.725 11 3HE MET 1 HE3 MET 1 -15.100 9.326 -10.013 12 H GLN 2 HN GLN 2 -11.049 13.914 -5.257 13 HA GLN 2 HA GLN 2 -8.763 12.571 -4.106 14 1HB GLN 2 HB2 GLN 2 -9.885 15.352 -3.874 15 2HB GLN 2 HB1 GLN 2 -8.607 14.800 -2.801 16 1HG GLN 2 HG2 GLN 2 -8.452 14.873 -5.808 17 2HG GLN 2 HG1 GLN 2 -7.761 16.075 -4.720 18 1HE2 GLN 2 HE21 GLN 2 -5.660 15.775 -5.290 19 2HE2 GLN 2 HE22 GLN 2 -4.773 14.318 -4.967 20 H HIS 3 HN HIS 3 -9.437 10.984 -2.779 21 HA HIS 3 HA HIS 3 -11.226 11.715 -0.565 22 1HB HIS 3 HB2 HIS 3 -11.855 9.785 -2.058 23 2HB HIS 3 HB1 HIS 3 -10.416 8.949 -1.494 24 HD1 HIS 3 HD1 HIS 3 -13.521 10.528 0.054 25 HD2 HIS 3 HD2 HIS 3 -10.938 7.313 0.588 26 HE1 HIS 3 HE1 HIS 3 -14.475 9.201 1.967 27 HE2 HIS 3 HE2 HIS 3 -13.064 7.115 2.051 28 H GLU 4 HN GLU 4 -10.388 11.892 1.430 29 HA GLU 4 HA GLU 4 -7.592 11.058 1.772 30 1HB GLU 4 HB2 GLU 4 -9.269 13.077 3.262 31 2HB GLU 4 HB1 GLU 4 -7.660 12.588 3.776 32 1HG GLU 4 HG2 GLU 4 -6.756 13.377 1.634 33 2HG GLU 4 HG1 GLU 4 -8.370 13.916 1.173 34 H LEU 5 HN LEU 5 -6.937 9.781 3.389 35 HA LEU 5 HA LEU 5 -8.949 8.664 5.192 36 1HB LEU 5 HB2 LEU 5 -7.765 6.407 4.816 37 2HB LEU 5 HB1 LEU 5 -8.941 6.948 3.639 38 HG LEU 5 HG LEU 5 -7.150 7.601 2.110 39 1HD1 LEU 5 HD11 LEU 5 -4.820 7.034 2.580 40 2HD1 LEU 5 HD12 LEU 5 -5.267 6.566 4.221 41 3HD1 LEU 5 HD13 LEU 5 -5.436 8.244 3.706 42 1HD2 LEU 5 HD21 LEU 5 -6.949 4.805 3.209 43 2HD2 LEU 5 HD22 LEU 5 -6.214 5.327 1.693 44 3HD2 LEU 5 HD23 LEU 5 -7.970 5.370 1.886 45 H GLN 6 HN GLN 6 -7.859 7.328 6.938 46 HA GLN 6 HA GLN 6 -5.409 8.699 7.801 47 1HB GLN 6 HB2 GLN 6 -5.982 7.993 10.049 48 2HB GLN 6 HB1 GLN 6 -7.351 8.822 9.323 49 1HG GLN 6 HG2 GLN 6 -8.444 6.716 8.892 50 2HG GLN 6 HG1 GLN 6 -7.044 5.836 9.506 51 1HE2 GLN 6 HE21 GLN 6 -6.554 5.955 11.704 52 2HE2 GLN 6 HE22 GLN 6 -7.766 6.367 12.871 53 HA PRO 7 HA PRO 7 -2.529 5.386 7.532 54 1HB PRO 7 HB2 PRO 7 -2.883 4.955 10.477 55 2HB PRO 7 HB1 PRO 7 -1.397 4.993 9.519 56 1HG PRO 7 HG2 PRO 7 -2.166 7.116 10.948 57 2HG PRO 7 HG1 PRO 7 -1.396 7.304 9.362 58 1HD PRO 7 HD2 PRO 7 -4.206 7.751 10.153 59 2HD PRO 7 HD1 PRO 7 -3.298 8.424 8.787 60 H ASP 8 HN ASP 8 -5.129 4.487 9.859 61 HA ASP 8 HA ASP 8 -5.192 1.876 8.513 62 1HB ASP 8 HB2 ASP 8 -5.018 1.786 10.959 63 2HB ASP 8 HB1 ASP 8 -6.493 2.738 11.107 64 H SER 9 HN SER 9 -6.373 2.096 6.745 65 HA SER 9 HA SER 9 -9.192 2.459 6.906 66 1HB SER 9 HB2 SER 9 -7.435 4.518 5.569 67 2HB SER 9 HB1 SER 9 -9.119 4.282 5.133 68 HG SER 9 HG SER 9 -8.478 4.616 7.833 69 H LEU 10 HN LEU 10 -9.995 2.462 4.423 70 HA LEU 10 HA LEU 10 -8.545 0.205 3.260 71 1HB LEU 10 HB2 LEU 10 -10.650 -0.389 2.169 72 2HB LEU 10 HB1 LEU 10 -10.827 -0.290 3.907 73 HG LEU 10 HG LEU 10 -11.662 1.956 2.074 74 1HD1 LEU 10 HD11 LEU 10 -13.937 1.088 2.255 75 2HD1 LEU 10 HD12 LEU 10 -13.329 -0.328 3.114 76 3HD1 LEU 10 HD13 LEU 10 -12.874 -0.055 1.432 77 1HD2 LEU 10 HD21 LEU 10 -12.408 1.229 4.907 78 2HD2 LEU 10 HD22 LEU 10 -13.100 2.559 3.979 79 3HD2 LEU 10 HD23 LEU 10 -11.389 2.579 4.408 80 H VAL 11 HN VAL 11 -7.323 0.620 1.640 81 HA VAL 11 HA VAL 11 -7.996 2.758 -0.270 82 HB VAL 11 HB VAL 11 -5.776 3.227 -0.474 83 1HG1 VAL 11 HG11 VAL 11 -6.127 3.304 1.918 84 2HG1 VAL 11 HG12 VAL 11 -4.474 2.813 1.545 85 3HG1 VAL 11 HG13 VAL 11 -5.659 1.606 2.053 86 1HG2 VAL 11 HG21 VAL 11 -5.234 1.173 -1.636 87 2HG2 VAL 11 HG22 VAL 11 -5.138 0.307 -0.101 88 3HG2 VAL 11 HG23 VAL 11 -3.968 1.574 -0.476 89 H ASP 12 HN ASP 12 -7.379 2.249 -2.577 90 HA ASP 12 HA ASP 12 -7.628 -0.619 -3.150 91 1HB ASP 12 HB2 ASP 12 -9.714 0.473 -3.778 92 2HB ASP 12 HB1 ASP 12 -8.838 1.696 -4.688 93 H LEU 13 HN LEU 13 -6.813 -1.162 -5.422 94 HA LEU 13 HA LEU 13 -4.090 -0.716 -5.529 95 1HB LEU 13 HB2 LEU 13 -6.014 -1.517 -7.683 96 2HB LEU 13 HB1 LEU 13 -4.275 -1.527 -7.903 97 HG LEU 13 HG LEU 13 -5.873 -3.222 -5.988 98 1HD1 LEU 13 HD11 LEU 13 -4.160 -3.931 -8.366 99 2HD1 LEU 13 HD12 LEU 13 -5.922 -3.970 -8.308 100 3HD1 LEU 13 HD13 LEU 13 -4.982 -5.074 -7.305 101 1HD2 LEU 13 HD21 LEU 13 -3.814 -2.556 -4.898 102 2HD2 LEU 13 HD22 LEU 13 -2.883 -3.011 -6.325 103 3HD2 LEU 13 HD23 LEU 13 -3.718 -4.248 -5.384 104 H LYS 14 HN LYS 14 -6.643 0.952 -7.361 105 HA LYS 14 HA LYS 14 -5.007 2.467 -9.060 106 1HB LYS 14 HB2 LYS 14 -7.535 3.556 -7.834 107 2HB LYS 14 HB1 LYS 14 -6.877 3.881 -9.427 108 1HG LYS 14 HG2 LYS 14 -7.450 1.633 -10.143 109 2HG LYS 14 HG1 LYS 14 -8.055 1.265 -8.524 110 1HD LYS 14 HD2 LYS 14 -9.610 3.253 -8.822 111 2HD LYS 14 HD1 LYS 14 -9.164 3.208 -10.530 112 1HE LYS 14 HE2 LYS 14 -11.200 1.975 -10.247 113 2HE LYS 14 HE1 LYS 14 -9.902 0.834 -10.598 114 1HZ LYS 14 HZ1 LYS 14 -11.240 -0.018 -8.821 115 2HZ LYS 14 HZ2 LYS 14 -11.081 1.418 -7.934 116 3HZ LYS 14 HZ3 LYS 14 -9.732 0.424 -8.177 117 H PHE 15 HN PHE 15 -6.164 3.000 -5.826 118 HA PHE 15 HA PHE 15 -5.232 5.599 -5.404 119 1HB PHE 15 HB2 PHE 15 -6.815 4.103 -3.999 120 2HB PHE 15 HB1 PHE 15 -5.336 3.498 -3.265 121 HD1 PHE 15 HD1 PHE 15 -6.734 6.829 -4.189 122 HD2 PHE 15 HD2 PHE 15 -4.762 4.442 -1.271 123 HE1 PHE 15 HE1 PHE 15 -6.697 8.751 -2.652 124 HE2 PHE 15 HE2 PHE 15 -4.713 6.365 0.271 125 HZ PHE 15 HZ PHE 15 -5.683 8.522 -0.419 126 H ILE 16 HN ILE 16 -3.781 2.460 -4.538 127 HA ILE 16 HA ILE 16 -1.373 3.366 -3.511 128 HB ILE 16 HB ILE 16 -1.419 0.906 -5.225 129 1HG1 ILE 16 HG12 ILE 16 -2.548 1.116 -2.420 130 2HG1 ILE 16 HG11 ILE 16 -3.511 0.890 -3.873 131 1HG2 ILE 16 HG21 ILE 16 -0.107 1.618 -2.599 132 2HG2 ILE 16 HG22 ILE 16 0.674 1.605 -4.181 133 3HG2 ILE 16 HG23 ILE 16 0.095 0.100 -3.470 134 1HD1 ILE 16 HD11 ILE 16 -1.446 -1.032 -2.832 135 2HD1 ILE 16 HD12 ILE 16 -2.460 -1.262 -4.257 136 3HD1 ILE 16 HD13 ILE 16 -3.193 -1.192 -2.655 137 H MET 17 HN MET 17 -2.215 2.622 -6.886 138 HA MET 17 HA MET 17 0.344 3.165 -7.937 139 1HB MET 17 HB2 MET 17 -2.368 3.229 -9.263 140 2HB MET 17 HB1 MET 17 -0.848 3.402 -10.134 141 1HG MET 17 HG2 MET 17 -0.158 1.183 -9.245 142 2HG MET 17 HG1 MET 17 -1.765 1.016 -8.544 143 1HE MET 17 HE1 MET 17 -0.778 2.602 -12.045 144 2HE MET 17 HE2 MET 17 -0.870 1.169 -13.067 145 3HE MET 17 HE3 MET 17 0.350 1.270 -11.798 146 H ALA 18 HN ALA 18 -2.430 5.253 -7.335 147 HA ALA 18 HA ALA 18 -1.294 7.606 -8.453 148 1HB ALA 18 HB1 ALA 18 -2.986 8.804 -7.162 149 2HB ALA 18 HB2 ALA 18 -3.337 7.339 -6.243 150 3HB ALA 18 HB3 ALA 18 -3.687 7.402 -7.970 151 H ASP 19 HN ASP 19 -1.295 6.206 -5.233 152 HA ASP 19 HA ASP 19 0.055 8.252 -3.848 153 1HB ASP 19 HB2 ASP 19 -1.202 6.631 -2.637 154 2HB ASP 19 HB1 ASP 19 -0.335 5.298 -3.373 155 H THR 20 HN THR 20 1.233 5.437 -5.609 156 HA THR 20 HA THR 20 3.959 5.993 -4.710 157 HB THR 20 HB THR 20 4.506 3.749 -5.466 158 HG1 THR 20 HG1 THR 20 1.795 3.301 -6.140 159 1HG2 THR 20 HG21 THR 20 3.168 2.498 -3.919 160 2HG2 THR 20 HG22 THR 20 1.864 3.679 -4.016 161 3HG2 THR 20 HG23 THR 20 3.389 4.117 -3.251 162 H GLY 21 HN GLY 21 2.081 5.572 -7.680 163 1HA GLY 21 HA2 GLY 21 2.541 6.496 -9.776 164 2HA GLY 21 HA1 GLY 21 4.137 6.958 -9.200 165 H PHE 22 HN PHE 22 3.290 3.756 -8.454 166 HA PHE 22 HA PHE 22 4.998 2.803 -10.658 167 1HB PHE 22 HB2 PHE 22 4.834 1.801 -7.813 168 2HB PHE 22 HB1 PHE 22 5.772 1.037 -9.089 169 HD1 PHE 22 HD1 PHE 22 5.695 3.609 -6.593 170 HD2 PHE 22 HD2 PHE 22 7.664 2.310 -10.137 171 HE1 PHE 22 HE1 PHE 22 7.609 5.058 -6.058 172 HE2 PHE 22 HE2 PHE 22 9.578 3.761 -9.606 173 HZ PHE 22 HZ PHE 22 9.554 5.135 -7.566 174 H GLY 23 HN GLY 23 4.791 0.178 -10.550 175 1HA GLY 23 HA2 GLY 23 2.021 -0.227 -11.393 176 2HA GLY 23 HA1 GLY 23 3.390 -1.253 -11.788 177 H LYS 24 HN LYS 24 0.863 -2.121 -10.916 178 HA LYS 24 HA LYS 24 0.446 -2.675 -8.269 179 1HB LYS 24 HB2 LYS 24 -0.077 -4.552 -10.573 180 2HB LYS 24 HB1 LYS 24 -0.864 -4.599 -9.001 181 1HG LYS 24 HG2 LYS 24 -1.834 -2.395 -9.420 182 2HG LYS 24 HG1 LYS 24 -1.040 -2.356 -10.997 183 1HD LYS 24 HD2 LYS 24 -2.316 -4.257 -11.737 184 2HD LYS 24 HD1 LYS 24 -3.028 -4.453 -10.134 185 1HE LYS 24 HE2 LYS 24 -4.585 -3.369 -11.677 186 2HE LYS 24 HE1 LYS 24 -4.143 -2.297 -10.351 187 1HZ LYS 24 HZ1 LYS 24 -2.689 -1.092 -11.775 188 2HZ LYS 24 HZ2 LYS 24 -4.173 -1.232 -12.582 189 3HZ LYS 24 HZ3 LYS 24 -2.869 -2.215 -13.034 190 H THR 25 HN THR 25 2.412 -4.572 -10.519 191 HA THR 25 HA THR 25 3.073 -6.700 -8.865 192 HB THR 25 HB THR 25 3.659 -6.772 -11.188 193 HG1 THR 25 HG1 THR 25 5.067 -8.065 -10.160 194 1HG2 THR 25 HG21 THR 25 5.536 -4.477 -10.620 195 2HG2 THR 25 HG22 THR 25 4.092 -4.438 -11.633 196 3HG2 THR 25 HG23 THR 25 5.490 -5.394 -12.127 197 H PHE 26 HN PHE 26 4.728 -3.578 -9.184 198 HA PHE 26 HA PHE 26 6.800 -4.006 -7.360 199 1HB PHE 26 HB2 PHE 26 7.077 -2.147 -8.725 200 2HB PHE 26 HB1 PHE 26 5.418 -1.609 -8.504 201 HD1 PHE 26 HD1 PHE 26 4.776 -0.319 -6.585 202 HD2 PHE 26 HD2 PHE 26 8.795 -1.573 -7.135 203 HE1 PHE 26 HE1 PHE 26 5.503 1.317 -4.900 204 HE2 PHE 26 HE2 PHE 26 9.544 0.066 -5.443 205 HZ PHE 26 HZ PHE 26 7.890 1.511 -4.330 206 H ILE 27 HN ILE 27 3.506 -2.812 -6.963 207 HA ILE 27 HA ILE 27 3.643 -1.889 -4.348 208 HB ILE 27 HB ILE 27 1.289 -3.239 -5.673 209 1HG1 ILE 27 HG12 ILE 27 2.025 -0.309 -5.554 210 2HG1 ILE 27 HG11 ILE 27 2.229 -1.343 -6.966 211 1HG2 ILE 27 HG21 ILE 27 1.390 -1.320 -3.346 212 2HG2 ILE 27 HG22 ILE 27 1.026 -3.045 -3.253 213 3HG2 ILE 27 HG23 ILE 27 -0.075 -1.957 -4.099 214 1HD1 ILE 27 HD11 ILE 27 -0.230 -1.734 -6.932 215 2HD1 ILE 27 HD12 ILE 27 0.249 -0.066 -7.261 216 3HD1 ILE 27 HD13 ILE 27 -0.345 -0.515 -5.661 217 H TYR 28 HN TYR 28 2.397 -5.068 -5.390 218 HA TYR 28 HA TYR 28 1.981 -6.036 -2.810 219 1HB TYR 28 HB2 TYR 28 2.453 -7.468 -5.426 220 2HB TYR 28 HB1 TYR 28 2.073 -8.327 -3.938 221 HD1 TYR 28 HD1 TYR 28 0.745 -5.373 -5.824 222 HD2 TYR 28 HD2 TYR 28 -0.160 -8.958 -3.711 223 HE1 TYR 28 HE1 TYR 28 -1.642 -5.011 -6.248 224 HE2 TYR 28 HE2 TYR 28 -2.550 -8.599 -4.130 225 HH TYR 28 HH TYR 28 -3.698 -6.221 -6.332 226 H ASP 29 HN ASP 29 4.862 -6.294 -4.883 227 HA ASP 29 HA ASP 29 6.295 -7.976 -3.077 228 1HB ASP 29 HB2 ASP 29 7.011 -7.826 -5.386 229 2HB ASP 29 HB1 ASP 29 7.285 -6.094 -5.229 230 H ARG 30 HN ARG 30 6.404 -4.481 -3.673 231 HA ARG 30 HA ARG 30 8.452 -3.965 -1.805 232 1HB ARG 30 HB2 ARG 30 7.832 -2.496 -3.722 233 2HB ARG 30 HB1 ARG 30 6.382 -2.030 -2.842 234 1HG ARG 30 HG2 ARG 30 7.602 -0.364 -2.053 235 2HG ARG 30 HG1 ARG 30 8.351 -1.573 -1.006 236 1HD ARG 30 HD2 ARG 30 9.341 -0.644 -3.695 237 2HD ARG 30 HD1 ARG 30 10.036 -0.254 -2.126 238 HE ARG 30 HE ARG 30 10.224 -2.886 -2.089 239 1HH1 ARG 30 HH11 ARG 30 10.964 -0.628 -4.654 240 2HH1 ARG 30 HH12 ARG 30 12.190 -1.631 -5.359 241 1HH2 ARG 30 HH21 ARG 30 11.837 -4.202 -2.992 242 2HH2 ARG 30 HH22 ARG 30 12.697 -3.671 -4.408 243 H ILE 31 HN ILE 31 4.916 -3.810 -1.547 244 HA ILE 31 HA ILE 31 4.955 -2.602 1.030 245 HB ILE 31 HB ILE 31 2.789 -3.910 -0.591 246 1HG1 ILE 31 HG12 ILE 31 1.748 -1.645 -0.245 247 2HG1 ILE 31 HG11 ILE 31 3.218 -1.148 0.589 248 1HG2 ILE 31 HG21 ILE 31 1.182 -3.526 1.169 249 2HG2 ILE 31 HG22 ILE 31 2.444 -2.912 2.236 250 3HG2 ILE 31 HG23 ILE 31 2.444 -4.611 1.754 251 1HD1 ILE 31 HD11 ILE 31 3.175 -0.361 -1.705 252 2HD1 ILE 31 HD12 ILE 31 3.035 -2.022 -2.287 253 3HD1 ILE 31 HD13 ILE 31 4.497 -1.500 -1.449 254 H LYS 32 HN LYS 32 4.728 -5.985 -0.086 255 HA LYS 32 HA LYS 32 4.495 -7.177 2.437 256 1HB LYS 32 HB2 LYS 32 5.892 -8.115 -0.057 257 2HB LYS 32 HB1 LYS 32 5.853 -9.084 1.409 258 1HG LYS 32 HG2 LYS 32 3.332 -8.881 1.310 259 2HG LYS 32 HG1 LYS 32 3.550 -8.236 -0.317 260 1HD LYS 32 HD2 LYS 32 4.498 -10.923 0.668 261 2HD LYS 32 HD1 LYS 32 3.094 -10.636 -0.359 262 1HE LYS 32 HE2 LYS 32 4.550 -9.717 -2.096 263 2HE LYS 32 HE1 LYS 32 5.956 -9.998 -1.069 264 1HZ LYS 32 HZ1 LYS 32 5.744 -11.767 -2.667 265 2HZ LYS 32 HZ2 LYS 32 4.145 -12.075 -2.187 266 3HZ LYS 32 HZ3 LYS 32 5.426 -12.387 -1.117 267 H SER 33 HN SER 33 7.358 -6.102 0.676 268 HA SER 33 HA SER 33 9.256 -6.868 2.623 269 1HB SER 33 HB2 SER 33 9.841 -6.403 0.277 270 2HB SER 33 HB1 SER 33 9.398 -4.713 0.508 271 HG SER 33 HG SER 33 11.262 -5.706 2.305 272 H GLY 34 HN GLY 34 7.157 -4.102 2.322 273 1HA GLY 34 HA2 GLY 34 8.488 -2.247 3.936 274 2HA GLY 34 HA1 GLY 34 6.741 -2.344 3.742 275 H ASP 35 HN ASP 35 5.655 -4.066 5.034 276 HA ASP 35 HA ASP 35 7.107 -5.202 7.261 277 1HB ASP 35 HB2 ASP 35 6.524 -2.861 8.027 278 2HB ASP 35 HB1 ASP 35 4.829 -3.319 7.912 279 H LEU 36 HN LEU 36 5.614 -6.166 5.009 280 HA LEU 36 HA LEU 36 4.062 -7.705 4.416 281 1HB LEU 36 HB2 LEU 36 3.803 -8.180 7.383 282 2HB LEU 36 HB1 LEU 36 3.181 -9.229 6.124 283 HG LEU 36 HG LEU 36 6.100 -8.650 6.652 284 1HD1 LEU 36 HD11 LEU 36 6.195 -10.990 7.360 285 2HD1 LEU 36 HD12 LEU 36 4.451 -11.129 7.136 286 3HD1 LEU 36 HD13 LEU 36 5.099 -10.050 8.371 287 1HD2 LEU 36 HD21 LEU 36 5.714 -9.031 4.289 288 2HD2 LEU 36 HD22 LEU 36 4.780 -10.482 4.650 289 3HD2 LEU 36 HD23 LEU 36 6.507 -10.436 5.002 290 HA PRO 37 HA PRO 37 0.580 -4.964 4.471 291 1HB PRO 37 HB2 PRO 37 -0.754 -7.065 2.892 292 2HB PRO 37 HB1 PRO 37 -0.413 -5.386 2.466 293 1HG PRO 37 HG2 PRO 37 0.928 -7.453 1.376 294 2HG PRO 37 HG1 PRO 37 1.682 -5.875 1.668 295 1HD PRO 37 HD2 PRO 37 1.963 -8.423 3.184 296 2HD PRO 37 HD1 PRO 37 3.160 -7.151 2.865 297 H LYS 38 HN LYS 38 -0.790 -4.752 6.081 298 HA LYS 38 HA LYS 38 -2.102 -7.046 7.271 299 1HB LYS 38 HB2 LYS 38 -2.385 -4.089 7.834 300 2HB LYS 38 HB1 LYS 38 -3.243 -5.347 8.708 301 1HG LYS 38 HG2 LYS 38 -1.409 -4.702 10.050 302 2HG LYS 38 HG1 LYS 38 -0.998 -6.276 9.363 303 1HD LYS 38 HD2 LYS 38 0.321 -5.163 7.631 304 2HD LYS 38 HD1 LYS 38 -0.075 -3.596 8.340 305 1HE LYS 38 HE2 LYS 38 1.082 -4.208 10.385 306 2HE LYS 38 HE1 LYS 38 1.430 -5.810 9.729 307 1HZ LYS 38 HZ1 LYS 38 2.681 -4.710 7.936 308 2HZ LYS 38 HZ2 LYS 38 3.348 -4.424 9.467 309 3HZ LYS 38 HZ3 LYS 38 2.442 -3.212 8.698 310 H ALA 39 HN ALA 39 -2.528 -4.917 4.727 311 HA ALA 39 HA ALA 39 -5.096 -4.454 4.187 312 1HB ALA 39 HB1 ALA 39 -4.646 -4.868 1.855 313 2HB ALA 39 HB2 ALA 39 -3.254 -5.866 2.272 314 3HB ALA 39 HB3 ALA 39 -3.232 -4.135 2.612 315 H LYS 40 HN LYS 40 -6.884 -5.519 3.317 316 HA LYS 40 HA LYS 40 -7.010 -8.299 4.239 317 1HB LYS 40 HB2 LYS 40 -9.464 -6.780 3.494 318 2HB LYS 40 HB1 LYS 40 -9.224 -7.951 4.779 319 1HG LYS 40 HG2 LYS 40 -8.295 -5.085 4.797 320 2HG LYS 40 HG1 LYS 40 -9.671 -5.744 5.683 321 1HD LYS 40 HD2 LYS 40 -6.785 -6.547 6.064 322 2HD LYS 40 HD1 LYS 40 -7.685 -5.444 7.107 323 1HE LYS 40 HE2 LYS 40 -8.334 -8.347 6.609 324 2HE LYS 40 HE1 LYS 40 -7.581 -7.688 8.061 325 1HZ LYS 40 HZ1 LYS 40 -10.335 -7.195 7.075 326 2HZ LYS 40 HZ2 LYS 40 -9.622 -6.308 8.335 327 3HZ LYS 40 HZ3 LYS 40 -9.873 -7.976 8.509 328 H VAL 41 HN VAL 41 -5.962 -9.000 2.312 329 HA VAL 41 HA VAL 41 -7.583 -8.852 -0.116 330 HB VAL 41 HB VAL 41 -5.333 -8.130 -0.451 331 1HG1 VAL 41 HG11 VAL 41 -4.441 -10.721 0.793 332 2HG1 VAL 41 HG12 VAL 41 -4.250 -9.098 1.461 333 3HG1 VAL 41 HG13 VAL 41 -3.380 -9.558 -0.002 334 1HG2 VAL 41 HG21 VAL 41 -5.651 -10.927 -1.531 335 2HG2 VAL 41 HG22 VAL 41 -4.535 -9.710 -2.150 336 3HG2 VAL 41 HG23 VAL 41 -6.275 -9.449 -2.263 337 H ILE 42 HN ILE 42 -8.685 -10.578 -0.761 338 HA ILE 42 HA ILE 42 -8.077 -13.152 0.507 339 HB ILE 42 HB ILE 42 -9.992 -12.114 1.602 340 1HG1 ILE 42 HG12 ILE 42 -9.877 -14.668 1.024 341 2HG1 ILE 42 HG11 ILE 42 -11.342 -13.988 1.721 342 1HG2 ILE 42 HG21 ILE 42 -12.087 -11.701 0.406 343 2HG2 ILE 42 HG22 ILE 42 -11.287 -12.102 -1.113 344 3HG2 ILE 42 HG23 ILE 42 -10.766 -10.694 -0.188 345 1HD1 ILE 42 HD11 ILE 42 -12.355 -13.907 -0.494 346 2HD1 ILE 42 HD12 ILE 42 -11.842 -15.541 -0.074 347 3HD1 ILE 42 HD13 ILE 42 -10.882 -14.576 -1.195 348 H HIS 43 HN HIS 43 -8.960 -11.444 -2.353 349 HA HIS 43 HA HIS 43 -8.917 -13.973 -3.853 350 1HB HIS 43 HB2 HIS 43 -11.280 -13.049 -3.405 351 2HB HIS 43 HB1 HIS 43 -10.853 -11.759 -4.523 352 HD1 HIS 43 HD1 HIS 43 -13.186 -13.609 -5.177 353 HD2 HIS 43 HD2 HIS 43 -9.282 -14.296 -6.444 354 HE1 HIS 43 HE1 HIS 43 -13.376 -15.083 -7.205 355 HE2 HIS 43 HE2 HIS 43 -11.003 -15.603 -7.869 356 H GLY 44 HN GLY 44 -6.688 -12.627 -3.718 357 1HA GLY 44 HA2 GLY 44 -5.042 -11.676 -5.024 358 2HA GLY 44 HA1 GLY 44 -6.189 -11.637 -6.354 359 H ARG 45 HN ARG 45 -8.138 -10.090 -4.874 360 HA ARG 45 HA ARG 45 -6.796 -7.578 -4.207 361 1HB ARG 45 HB2 ARG 45 -9.050 -7.872 -6.217 362 2HB ARG 45 HB1 ARG 45 -8.572 -6.340 -5.508 363 1HG ARG 45 HG2 ARG 45 -6.348 -6.590 -6.526 364 2HG ARG 45 HG1 ARG 45 -6.888 -8.098 -7.275 365 1HD ARG 45 HD2 ARG 45 -7.047 -6.228 -8.839 366 2HD ARG 45 HD1 ARG 45 -8.636 -6.895 -8.470 367 HE ARG 45 HE ARG 45 -8.016 -4.716 -6.752 368 1HH1 ARG 45 HH11 ARG 45 -9.115 -5.489 -9.980 369 2HH1 ARG 45 HH12 ARG 45 -9.901 -3.957 -10.221 370 1HH2 ARG 45 HH21 ARG 45 -9.042 -2.679 -7.065 371 2HH2 ARG 45 HH22 ARG 45 -9.823 -2.359 -8.583 372 H ALA 46 HN ALA 46 -8.436 -6.062 -3.230 373 HA ALA 46 HA ALA 46 -11.044 -6.611 -2.632 374 1HB ALA 46 HB1 ALA 46 -9.309 -7.472 -0.319 375 2HB ALA 46 HB2 ALA 46 -10.278 -8.543 -1.331 376 3HB ALA 46 HB3 ALA 46 -11.070 -7.338 -0.315 377 H ARG 47 HN ARG 47 -8.963 -5.796 0.061 378 HA ARG 47 HA ARG 47 -9.188 -2.932 -0.499 379 1HB ARG 47 HB2 ARG 47 -10.271 -4.279 1.991 380 2HB ARG 47 HB1 ARG 47 -9.951 -2.552 1.889 381 1HG ARG 47 HG2 ARG 47 -11.631 -2.234 0.270 382 2HG ARG 47 HG1 ARG 47 -11.786 -3.968 -0.018 383 1HD ARG 47 HD2 ARG 47 -12.433 -2.616 2.597 384 2HD ARG 47 HD1 ARG 47 -13.624 -2.979 1.350 385 HE ARG 47 HE ARG 47 -12.069 -5.255 2.241 386 1HH1 ARG 47 HH11 ARG 47 -14.975 -3.360 2.709 387 2HH1 ARG 47 HH12 ARG 47 -15.846 -4.643 3.493 388 1HH2 ARG 47 HH21 ARG 47 -13.206 -6.943 3.292 389 2HH2 ARG 47 HH22 ARG 47 -14.831 -6.672 3.851 390 H TRP 48 HN TRP 48 -7.406 -1.821 0.207 391 HA TRP 48 HA TRP 48 -5.370 -3.473 1.547 392 1HB TRP 48 HB2 TRP 48 -5.090 -2.365 -0.851 393 2HB TRP 48 HB1 TRP 48 -4.694 -0.944 0.109 394 HD1 TRP 48 HD1 TRP 48 -2.628 -1.443 2.010 395 HE1 TRP 48 HE1 TRP 48 -0.445 -2.743 1.614 396 HE3 TRP 48 HE3 TRP 48 -4.004 -4.088 -2.145 397 HZ2 TRP 48 HZ2 TRP 48 0.564 -4.632 -0.232 398 HZ3 TRP 48 HZ3 TRP 48 -2.370 -5.616 -3.164 399 HH2 TRP 48 HH2 TRP 48 -0.133 -5.881 -2.226 400 H LEU 49 HN LEU 49 -4.334 -2.667 3.349 401 HA LEU 49 HA LEU 49 -5.621 -0.420 4.630 402 1HB LEU 49 HB2 LEU 49 -3.574 -2.415 5.552 403 2HB LEU 49 HB1 LEU 49 -4.095 -1.066 6.529 404 HG LEU 49 HG LEU 49 -5.813 -3.348 5.565 405 1HD1 LEU 49 HD11 LEU 49 -6.050 -3.843 7.944 406 2HD1 LEU 49 HD12 LEU 49 -4.944 -2.524 8.328 407 3HD1 LEU 49 HD13 LEU 49 -4.364 -3.927 7.430 408 1HD2 LEU 49 HD21 LEU 49 -6.580 -0.925 7.185 409 2HD2 LEU 49 HD22 LEU 49 -7.617 -2.312 6.851 410 3HD2 LEU 49 HD23 LEU 49 -7.082 -1.272 5.530 411 H TYR 50 HN TYR 50 -4.811 1.549 4.742 412 HA TYR 50 HA TYR 50 -2.723 2.312 3.047 413 1HB TYR 50 HB2 TYR 50 -4.618 3.778 3.824 414 2HB TYR 50 HB1 TYR 50 -3.774 3.949 5.361 415 HD1 TYR 50 HD1 TYR 50 -3.619 4.698 1.752 416 HD2 TYR 50 HD2 TYR 50 -1.892 5.413 5.574 417 HE1 TYR 50 HE1 TYR 50 -2.313 6.557 0.808 418 HE2 TYR 50 HE2 TYR 50 -0.584 7.278 4.645 419 HH TYR 50 HH TYR 50 -1.210 8.615 1.568 420 H ARG 51 HN ARG 51 -2.732 1.442 6.416 421 HA ARG 51 HA ARG 51 -0.358 2.424 7.362 422 1HB ARG 51 HB2 ARG 51 -0.322 0.619 8.928 423 2HB ARG 51 HB1 ARG 51 -2.001 1.062 8.650 424 1HG ARG 51 HG2 ARG 51 -2.340 -0.840 7.248 425 2HG ARG 51 HG1 ARG 51 -0.618 -1.233 7.285 426 1HD ARG 51 HD2 ARG 51 -1.589 -2.696 8.821 427 2HD ARG 51 HD1 ARG 51 -0.902 -1.414 9.810 428 HE ARG 51 HE ARG 51 -3.634 -0.920 9.150 429 1HH1 ARG 51 HH11 ARG 51 -1.522 -2.615 11.366 430 2HH1 ARG 51 HH12 ARG 51 -2.739 -2.795 12.591 431 1HH2 ARG 51 HH21 ARG 51 -5.239 -1.152 10.751 432 2HH2 ARG 51 HH22 ARG 51 -4.853 -1.988 12.228 433 H ASP 52 HN ASP 52 -0.837 -0.457 5.376 434 HA ASP 52 HA ASP 52 1.795 -1.375 5.345 435 1HB ASP 52 HB2 ASP 52 -0.243 -1.604 3.126 436 2HB ASP 52 HB1 ASP 52 1.154 -2.646 3.381 437 H HIS 53 HN HIS 53 0.188 1.112 3.520 438 HA HIS 53 HA HIS 53 2.265 1.516 1.610 439 1HB HIS 53 HB2 HIS 53 0.179 3.473 2.615 440 2HB HIS 53 HB1 HIS 53 1.220 3.729 1.223 441 HD1 HIS 53 HD1 HIS 53 -0.756 3.917 -0.402 442 HD2 HIS 53 HD2 HIS 53 -0.565 0.284 1.629 443 HE1 HIS 53 HE1 HIS 53 -2.502 2.420 -1.479 444 HE2 HIS 53 HE2 HIS 53 -2.255 0.204 -0.316 445 H CYS 54 HN CYS 54 1.364 3.008 4.673 446 HA CYS 54 HA CYS 54 3.333 4.972 4.787 447 1HB CYS 54 HB2 CYS 54 1.350 4.803 6.291 448 2HB CYS 54 HB1 CYS 54 2.125 3.453 7.112 449 HG CYS 54 HG CYS 54 3.907 6.312 6.964 450 H GLU 55 HN GLU 55 3.388 1.601 5.924 451 HA GLU 55 HA GLU 55 5.986 1.827 7.047 452 1HB GLU 55 HB2 GLU 55 4.390 -0.632 6.332 453 2HB GLU 55 HB1 GLU 55 5.823 -0.597 7.358 454 1HG GLU 55 HG2 GLU 55 4.585 0.974 8.872 455 2HG GLU 55 HG1 GLU 55 3.145 0.660 7.907 456 H PHE 56 HN PHE 56 4.743 0.530 3.967 457 HA PHE 56 HA PHE 56 7.258 -0.331 3.034 458 1HB PHE 56 HB2 PHE 56 6.056 -1.127 1.335 459 2HB PHE 56 HB1 PHE 56 4.637 -0.441 2.109 460 HD1 PHE 56 HD1 PHE 56 7.355 0.408 -0.283 461 HD2 PHE 56 HD2 PHE 56 3.363 1.104 0.988 462 HE1 PHE 56 HE1 PHE 56 6.985 1.860 -2.240 463 HE2 PHE 56 HE2 PHE 56 2.986 2.549 -0.958 464 HZ PHE 56 HZ PHE 56 4.824 2.878 -2.608 465 H LYS 57 HN LYS 57 5.476 2.699 2.482 466 HA LYS 57 HA LYS 57 7.285 4.044 0.864 467 1HB LYS 57 HB2 LYS 57 5.422 5.069 3.007 468 2HB LYS 57 HB1 LYS 57 6.347 6.136 1.954 469 1HG LYS 57 HG2 LYS 57 4.475 4.031 0.912 470 2HG LYS 57 HG1 LYS 57 3.966 5.686 1.266 471 1HD LYS 57 HD2 LYS 57 6.276 5.059 -0.545 472 2HD LYS 57 HD1 LYS 57 4.616 5.167 -1.140 473 1HE LYS 57 HE2 LYS 57 6.062 7.346 0.357 474 2HE LYS 57 HE1 LYS 57 5.900 7.274 -1.398 475 1HZ LYS 57 HZ1 LYS 57 3.606 7.385 0.494 476 2HZ LYS 57 HZ2 LYS 57 3.523 7.471 -1.196 477 3HZ LYS 57 HZ3 LYS 57 4.245 8.728 -0.316 478 H ASN 58 HN ASN 58 7.242 3.567 4.301 479 HA ASN 58 HA ASN 58 9.131 5.365 5.180 480 1HB ASN 58 HB2 ASN 58 7.864 4.125 6.755 481 2HB ASN 58 HB1 ASN 58 8.370 2.589 6.065 482 1HD2 ASN 58 HD21 ASN 58 9.279 1.639 7.719 483 2HD2 ASN 58 HD22 ASN 58 10.646 2.231 8.604 484 H LYS 59 HN LYS 59 9.642 2.081 3.870 485 HA LYS 59 HA LYS 59 12.449 2.157 4.433 486 1HB LYS 59 HB2 LYS 59 12.513 -0.027 3.708 487 2HB LYS 59 HB1 LYS 59 10.833 0.116 4.200 488 1HG LYS 59 HG2 LYS 59 10.469 0.754 1.688 489 2HG LYS 59 HG1 LYS 59 12.003 -0.093 1.474 490 1HD LYS 59 HD2 LYS 59 10.814 -1.912 2.958 491 2HD LYS 59 HD1 LYS 59 9.357 -1.131 2.340 492 1HE LYS 59 HE2 LYS 59 9.888 -2.931 0.863 493 2HE LYS 59 HE1 LYS 59 10.281 -1.421 0.028 494 1HZ LYS 59 HZ1 LYS 59 11.986 -3.308 -0.058 495 2HZ LYS 59 HZ2 LYS 59 12.338 -2.916 1.554 496 3HZ LYS 59 HZ3 LYS 59 12.555 -1.760 0.329 497 H LEU 60 HN LEU 60 10.424 2.771 1.611 498 HA LEU 60 HA LEU 60 12.636 3.039 -0.201 499 1HB LEU 60 HB2 LEU 60 9.743 3.811 -0.349 500 2HB LEU 60 HB1 LEU 60 10.871 4.254 -1.612 501 HG LEU 60 HG LEU 60 10.166 1.429 -0.779 502 1HD1 LEU 60 HD11 LEU 60 9.029 1.304 -2.857 503 2HD1 LEU 60 HD12 LEU 60 9.587 2.908 -3.333 504 3HD1 LEU 60 HD13 LEU 60 8.439 2.730 -2.006 505 1HD2 LEU 60 HD21 LEU 60 12.042 2.474 -2.902 506 2HD2 LEU 60 HD22 LEU 60 11.471 0.808 -2.802 507 3HD2 LEU 60 HD23 LEU 60 12.459 1.482 -1.502 508 H LEU 61 HN LEU 61 10.681 5.253 1.696 509 HA LEU 61 HA LEU 61 11.763 7.657 0.670 510 1HB LEU 61 HB2 LEU 61 9.634 7.478 1.912 511 2HB LEU 61 HB1 LEU 61 10.526 7.087 3.365 512 HG LEU 61 HG LEU 61 11.548 9.319 3.331 513 1HD1 LEU 61 HD11 LEU 61 10.645 11.031 1.811 514 2HD1 LEU 61 HD12 LEU 61 9.733 9.781 0.964 515 3HD1 LEU 61 HD13 LEU 61 11.497 9.755 0.941 516 1HD2 LEU 61 HD21 LEU 61 8.536 9.260 3.216 517 2HD2 LEU 61 HD22 LEU 61 9.499 10.567 3.910 518 3HD2 LEU 61 HD23 LEU 61 9.545 8.958 4.633 519 H SER 62 HN SER 62 12.736 5.467 3.197 520 HA SER 62 HA SER 62 14.730 7.130 4.350 521 1HB SER 62 HB2 SER 62 13.664 5.173 5.485 522 2HB SER 62 HB1 SER 62 14.544 4.110 4.389 523 HG SER 62 HG SER 62 15.760 5.992 6.142 524 H ARG 63 HN ARG 63 14.763 4.623 1.845 525 HA ARG 63 HA ARG 63 17.637 4.794 1.528 526 1HB ARG 63 HB2 ARG 63 15.574 3.275 -0.071 527 2HB ARG 63 HB1 ARG 63 17.314 3.114 -0.243 528 1HG ARG 63 HG2 ARG 63 17.464 2.282 2.052 529 2HG ARG 63 HG1 ARG 63 15.712 2.433 2.214 530 1HD ARG 63 HD2 ARG 63 15.472 0.883 0.278 531 2HD ARG 63 HD1 ARG 63 17.218 0.648 0.312 532 HE ARG 63 HE ARG 63 16.034 0.117 2.853 533 1HH1 ARG 63 HH11 ARG 63 16.542 -1.264 -0.341 534 2HH1 ARG 63 HH12 ARG 63 16.421 -2.911 0.221 535 1HH2 ARG 63 HH21 ARG 63 15.880 -2.047 3.575 536 2HH2 ARG 63 HH22 ARG 63 16.047 -3.346 2.436 537 H ALA 64 HN ALA 64 14.899 6.346 0.263 538 HA ALA 64 HA ALA 64 14.497 7.813 -1.403 539 1HB ALA 64 HB1 ALA 64 16.280 9.271 -2.105 540 2HB ALA 64 HB2 ALA 64 17.493 8.137 -1.510 541 3HB ALA 64 HB3 ALA 64 16.426 8.964 -0.374 542 H ASN 65 HN ASN 65 13.793 5.878 -2.607 543 HA ASN 65 HA ASN 65 15.599 4.677 -4.486 544 1HB ASN 65 HB2 ASN 65 13.688 3.412 -5.297 545 2HB ASN 65 HB1 ASN 65 13.700 3.403 -3.540 546 1HD2 ASN 65 HD21 ASN 65 11.560 3.059 -5.619 547 2HD2 ASN 65 HD22 ASN 65 10.321 4.170 -5.141 548 H GLY 66 HN GLY 66 15.813 5.009 -6.623 549 1HA GLY 66 HA2 GLY 66 14.987 5.909 -8.720 550 2HA GLY 66 HA1 GLY 66 14.245 7.213 -7.801 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -8.491 14.659 -1.145 2 2H MET 1 HT2 MET 1 -8.770 16.114 -1.975 3 3H MET 1 HT3 MET 1 -7.208 15.453 -1.928 4 HA MET 1 HA MET 1 -8.235 15.087 -4.066 5 1HB MET 1 HB2 MET 1 -6.699 13.389 -2.836 6 2HB MET 1 HB1 MET 1 -8.163 12.444 -2.619 7 1HG MET 1 HG2 MET 1 -7.235 13.363 -5.319 8 2HG MET 1 HG1 MET 1 -6.672 11.865 -4.583 9 1HE MET 1 HE1 MET 1 -9.154 10.603 -7.331 10 2HE MET 1 HE2 MET 1 -7.520 10.479 -6.678 11 3HE MET 1 HE3 MET 1 -8.057 11.980 -7.431 12 H GLN 2 HN GLN 2 -9.819 12.883 -1.780 13 HA GLN 2 HA GLN 2 -12.386 13.820 -1.842 14 1HB GLN 2 HB2 GLN 2 -13.599 12.419 -3.407 15 2HB GLN 2 HB1 GLN 2 -12.403 13.356 -4.284 16 1HG GLN 2 HG2 GLN 2 -10.960 11.428 -4.444 17 2HG GLN 2 HG1 GLN 2 -12.081 10.480 -3.469 18 1HE2 GLN 2 HE21 GLN 2 -14.023 9.805 -4.362 19 2HE2 GLN 2 HE22 GLN 2 -14.287 9.794 -6.074 20 H HIS 3 HN HIS 3 -10.340 10.990 -1.980 21 HA HIS 3 HA HIS 3 -11.901 9.765 0.183 22 1HB HIS 3 HB2 HIS 3 -11.310 8.413 -1.891 23 2HB HIS 3 HB1 HIS 3 -9.626 8.533 -1.395 24 HD1 HIS 3 HD1 HIS 3 -11.764 5.994 -1.557 25 HD2 HIS 3 HD2 HIS 3 -9.949 7.719 1.763 26 HE1 HIS 3 HE1 HIS 3 -11.787 4.220 0.231 27 HE2 HIS 3 HE2 HIS 3 -10.864 5.353 2.283 28 H GLU 4 HN GLU 4 -11.230 10.673 2.027 29 HA GLU 4 HA GLU 4 -8.340 11.062 2.425 30 1HB GLU 4 HB2 GLU 4 -10.607 12.206 4.068 31 2HB GLU 4 HB1 GLU 4 -8.911 12.662 4.131 32 1HG GLU 4 HG2 GLU 4 -10.796 13.122 1.829 33 2HG GLU 4 HG1 GLU 4 -10.211 14.337 2.961 34 H LEU 5 HN LEU 5 -7.302 10.084 4.134 35 HA LEU 5 HA LEU 5 -8.840 8.389 5.906 36 1HB LEU 5 HB2 LEU 5 -7.257 6.438 5.206 37 2HB LEU 5 HB1 LEU 5 -8.732 6.756 4.322 38 HG LEU 5 HG LEU 5 -7.455 7.880 2.559 39 1HD1 LEU 5 HD11 LEU 5 -5.607 8.757 3.867 40 2HD1 LEU 5 HD12 LEU 5 -5.012 7.768 2.534 41 3HD1 LEU 5 HD13 LEU 5 -5.029 7.118 4.174 42 1HD2 LEU 5 HD21 LEU 5 -6.392 5.923 1.641 43 2HD2 LEU 5 HD22 LEU 5 -7.879 5.455 2.470 44 3HD2 LEU 5 HD23 LEU 5 -6.312 5.176 3.236 45 H GLN 6 HN GLN 6 -7.484 7.216 7.434 46 HA GLN 6 HA GLN 6 -4.998 8.652 8.076 47 1HB GLN 6 HB2 GLN 6 -5.446 8.181 10.406 48 2HB GLN 6 HB1 GLN 6 -6.842 8.984 9.704 49 1HG GLN 6 HG2 GLN 6 -7.988 6.850 9.516 50 2HG GLN 6 HG1 GLN 6 -6.576 6.029 10.188 51 1HE2 GLN 6 HE21 GLN 6 -6.000 6.428 12.333 52 2HE2 GLN 6 HE22 GLN 6 -7.168 6.990 13.484 53 HA PRO 7 HA PRO 7 -2.260 5.111 8.062 54 1HB PRO 7 HB2 PRO 7 -2.825 4.949 11.005 55 2HB PRO 7 HB1 PRO 7 -1.301 4.686 10.143 56 1HG PRO 7 HG2 PRO 7 -1.844 7.036 11.312 57 2HG PRO 7 HG1 PRO 7 -0.970 6.953 9.772 58 1HD PRO 7 HD2 PRO 7 -3.692 7.913 10.320 59 2HD PRO 7 HD1 PRO 7 -2.663 8.204 8.908 60 H ASP 8 HN ASP 8 -5.018 4.522 10.307 61 HA ASP 8 HA ASP 8 -5.210 1.858 9.093 62 1HB ASP 8 HB2 ASP 8 -5.164 1.988 11.576 63 2HB ASP 8 HB1 ASP 8 -6.670 2.905 11.527 64 H SER 9 HN SER 9 -6.317 1.962 7.286 65 HA SER 9 HA SER 9 -9.068 2.489 7.197 66 1HB SER 9 HB2 SER 9 -8.077 4.864 7.339 67 2HB SER 9 HB1 SER 9 -7.467 4.579 5.708 68 HG SER 9 HG SER 9 -10.180 4.558 6.579 69 H LEU 10 HN LEU 10 -9.664 2.754 4.672 70 HA LEU 10 HA LEU 10 -8.215 0.524 3.441 71 1HB LEU 10 HB2 LEU 10 -11.034 1.500 3.003 72 2HB LEU 10 HB1 LEU 10 -10.291 0.170 2.138 73 HG LEU 10 HG LEU 10 -10.781 0.235 5.116 74 1HD1 LEU 10 HD11 LEU 10 -12.231 -1.228 2.915 75 2HD1 LEU 10 HD12 LEU 10 -12.861 0.124 3.854 76 3HD1 LEU 10 HD13 LEU 10 -12.522 -1.416 4.645 77 1HD2 LEU 10 HD21 LEU 10 -10.186 -2.137 5.023 78 2HD2 LEU 10 HD22 LEU 10 -8.847 -1.120 4.491 79 3HD2 LEU 10 HD23 LEU 10 -9.827 -1.980 3.303 80 H VAL 11 HN VAL 11 -6.944 0.966 1.837 81 HA VAL 11 HA VAL 11 -7.508 3.242 0.059 82 HB VAL 11 HB VAL 11 -5.202 3.102 -0.663 83 1HG1 VAL 11 HG11 VAL 11 -4.018 3.565 1.429 84 2HG1 VAL 11 HG12 VAL 11 -5.384 2.912 2.334 85 3HG1 VAL 11 HG13 VAL 11 -5.586 4.370 1.362 86 1HG2 VAL 11 HG21 VAL 11 -4.978 0.693 1.128 87 2HG2 VAL 11 HG22 VAL 11 -3.641 1.474 0.284 88 3HG2 VAL 11 HG23 VAL 11 -4.929 0.696 -0.636 89 H ASP 12 HN ASP 12 -6.979 2.799 -2.282 90 HA ASP 12 HA ASP 12 -7.942 0.115 -2.984 91 1HB ASP 12 HB2 ASP 12 -8.246 2.746 -4.437 92 2HB ASP 12 HB1 ASP 12 -8.658 1.195 -5.156 93 H LEU 13 HN LEU 13 -7.231 -0.677 -5.153 94 HA LEU 13 HA LEU 13 -4.434 -0.849 -5.302 95 1HB LEU 13 HB2 LEU 13 -6.694 -1.596 -7.083 96 2HB LEU 13 HB1 LEU 13 -5.078 -1.606 -7.758 97 HG LEU 13 HG LEU 13 -5.698 -3.839 -7.032 98 1HD1 LEU 13 HD11 LEU 13 -3.358 -3.201 -6.846 99 2HD1 LEU 13 HD12 LEU 13 -3.806 -4.324 -5.562 100 3HD1 LEU 13 HD13 LEU 13 -3.640 -2.603 -5.210 101 1HD2 LEU 13 HD21 LEU 13 -6.024 -2.644 -4.283 102 2HD2 LEU 13 HD22 LEU 13 -6.109 -4.360 -4.680 103 3HD2 LEU 13 HD23 LEU 13 -7.325 -3.246 -5.311 104 H LYS 14 HN LYS 14 -6.720 0.974 -7.315 105 HA LYS 14 HA LYS 14 -4.858 2.201 -9.017 106 1HB LYS 14 HB2 LYS 14 -7.354 2.144 -9.304 107 2HB LYS 14 HB1 LYS 14 -7.479 3.348 -8.029 108 1HG LYS 14 HG2 LYS 14 -6.099 4.875 -9.423 109 2HG LYS 14 HG1 LYS 14 -6.181 3.679 -10.722 110 1HD LYS 14 HD2 LYS 14 -8.687 3.811 -10.527 111 2HD LYS 14 HD1 LYS 14 -8.456 5.195 -9.456 112 1HE LYS 14 HE2 LYS 14 -8.880 5.946 -11.722 113 2HE LYS 14 HE1 LYS 14 -7.232 6.353 -11.242 114 1HZ LYS 14 HZ1 LYS 14 -7.437 5.412 -13.517 115 2HZ LYS 14 HZ2 LYS 14 -7.941 3.946 -12.829 116 3HZ LYS 14 HZ3 LYS 14 -6.386 4.542 -12.510 117 H PHE 15 HN PHE 15 -6.009 2.975 -5.829 118 HA PHE 15 HA PHE 15 -4.996 5.573 -5.551 119 1HB PHE 15 HB2 PHE 15 -6.626 4.366 -4.037 120 2HB PHE 15 HB1 PHE 15 -5.246 3.508 -3.365 121 HD1 PHE 15 HD1 PHE 15 -6.430 6.977 -4.013 122 HD2 PHE 15 HD2 PHE 15 -4.173 4.371 -1.518 123 HE1 PHE 15 HE1 PHE 15 -6.046 8.826 -2.432 124 HE2 PHE 15 HE2 PHE 15 -3.778 6.216 0.064 125 HZ PHE 15 HZ PHE 15 -4.692 8.438 -0.389 126 H ILE 16 HN ILE 16 -3.585 2.435 -4.611 127 HA ILE 16 HA ILE 16 -1.132 3.288 -3.675 128 HB ILE 16 HB ILE 16 -1.223 0.866 -5.429 129 1HG1 ILE 16 HG12 ILE 16 -2.399 1.077 -2.651 130 2HG1 ILE 16 HG11 ILE 16 -3.310 0.797 -4.125 131 1HG2 ILE 16 HG21 ILE 16 0.261 0.008 -3.647 132 2HG2 ILE 16 HG22 ILE 16 0.105 1.550 -2.808 133 3HG2 ILE 16 HG23 ILE 16 0.877 1.483 -4.392 134 1HD1 ILE 16 HD11 ILE 16 -3.010 -1.254 -2.862 135 2HD1 ILE 16 HD12 ILE 16 -1.258 -1.066 -2.953 136 3HD1 ILE 16 HD13 ILE 16 -2.194 -1.345 -4.424 137 H MET 17 HN MET 17 -2.071 2.519 -7.001 138 HA MET 17 HA MET 17 0.403 3.026 -8.210 139 1HB MET 17 HB2 MET 17 -2.387 3.261 -9.336 140 2HB MET 17 HB1 MET 17 -0.925 3.353 -10.306 141 1HG MET 17 HG2 MET 17 -0.337 1.068 -9.527 142 2HG MET 17 HG1 MET 17 -1.904 0.992 -8.721 143 1HE MET 17 HE1 MET 17 -1.173 2.782 -12.138 144 2HE MET 17 HE2 MET 17 -1.431 1.470 -13.288 145 3HE MET 17 HE3 MET 17 -0.069 1.408 -12.170 146 H ALA 18 HN ALA 18 -2.152 5.164 -7.197 147 HA ALA 18 HA ALA 18 -1.238 7.469 -8.583 148 1HB ALA 18 HB1 ALA 18 -2.937 7.296 -6.094 149 2HB ALA 18 HB2 ALA 18 -3.534 7.270 -7.754 150 3HB ALA 18 HB3 ALA 18 -2.739 8.713 -7.125 151 H ASP 19 HN ASP 19 -0.826 6.361 -5.198 152 HA ASP 19 HA ASP 19 0.737 8.664 -4.539 153 1HB ASP 19 HB2 ASP 19 0.775 7.910 -2.356 154 2HB ASP 19 HB1 ASP 19 -0.709 7.194 -2.961 155 H THR 20 HN THR 20 1.502 5.646 -5.967 156 HA THR 20 HA THR 20 4.344 5.985 -5.330 157 HB THR 20 HB THR 20 4.624 3.734 -6.369 158 HG1 THR 20 HG1 THR 20 1.805 3.478 -6.222 159 1HG2 THR 20 HG21 THR 20 3.625 2.503 -4.515 160 2HG2 THR 20 HG22 THR 20 2.628 3.906 -4.119 161 3HG2 THR 20 HG23 THR 20 4.385 3.998 -3.964 162 H GLY 21 HN GLY 21 2.242 5.442 -8.142 163 1HA GLY 21 HA2 GLY 21 2.578 6.300 -10.307 164 2HA GLY 21 HA1 GLY 21 4.231 6.716 -9.865 165 H PHE 22 HN PHE 22 3.262 3.627 -8.856 166 HA PHE 22 HA PHE 22 4.799 2.414 -11.065 167 1HB PHE 22 HB2 PHE 22 4.645 1.576 -8.164 168 2HB PHE 22 HB1 PHE 22 5.490 0.689 -9.425 169 HD1 PHE 22 HD1 PHE 22 5.591 3.492 -7.150 170 HD2 PHE 22 HD2 PHE 22 7.516 1.642 -10.461 171 HE1 PHE 22 HE1 PHE 22 7.604 4.843 -6.726 172 HE2 PHE 22 HE2 PHE 22 9.537 2.983 -10.040 173 HZ PHE 22 HZ PHE 22 9.614 4.528 -8.140 174 H GLY 23 HN GLY 23 4.369 -0.095 -11.024 175 1HA GLY 23 HA2 GLY 23 1.464 -0.394 -11.296 176 2HA GLY 23 HA1 GLY 23 2.680 -1.405 -12.063 177 H LYS 24 HN LYS 24 0.558 -2.552 -10.803 178 HA LYS 24 HA LYS 24 0.596 -3.084 -8.133 179 1HB LYS 24 HB2 LYS 24 -0.610 -5.126 -8.571 180 2HB LYS 24 HB1 LYS 24 -1.164 -3.857 -9.650 181 1HG LYS 24 HG2 LYS 24 0.081 -4.818 -11.484 182 2HG LYS 24 HG1 LYS 24 0.762 -6.044 -10.410 183 1HD LYS 24 HD2 LYS 24 -1.533 -6.852 -9.948 184 2HD LYS 24 HD1 LYS 24 -2.149 -5.693 -11.126 185 1HE LYS 24 HE2 LYS 24 -0.870 -6.778 -12.887 186 2HE LYS 24 HE1 LYS 24 -0.195 -7.912 -11.715 187 1HZ LYS 24 HZ1 LYS 24 -3.052 -7.662 -12.490 188 2HZ LYS 24 HZ2 LYS 24 -2.472 -8.683 -11.264 189 3HZ LYS 24 HZ3 LYS 24 -2.010 -8.946 -12.871 190 H THR 25 HN THR 25 2.713 -4.594 -10.529 191 HA THR 25 HA THR 25 3.601 -6.727 -8.967 192 HB THR 25 HB THR 25 4.086 -6.593 -11.355 193 HG1 THR 25 HG1 THR 25 6.683 -6.569 -10.396 194 1HG2 THR 25 HG21 THR 25 6.009 -4.377 -10.635 195 2HG2 THR 25 HG22 THR 25 4.530 -4.210 -11.580 196 3HG2 THR 25 HG23 THR 25 5.877 -5.151 -12.217 197 H PHE 26 HN PHE 26 4.924 -3.438 -9.247 198 HA PHE 26 HA PHE 26 7.015 -3.728 -7.403 199 1HB PHE 26 HB2 PHE 26 7.157 -1.815 -8.733 200 2HB PHE 26 HB1 PHE 26 5.461 -1.405 -8.506 201 HD1 PHE 26 HD1 PHE 26 4.732 -0.172 -6.614 202 HD2 PHE 26 HD2 PHE 26 8.821 -1.238 -7.047 203 HE1 PHE 26 HE1 PHE 26 5.328 1.443 -4.860 204 HE2 PHE 26 HE2 PHE 26 9.432 0.378 -5.283 205 HZ PHE 26 HZ PHE 26 7.676 1.718 -4.192 206 H ILE 27 HN ILE 27 3.650 -2.721 -7.070 207 HA ILE 27 HA ILE 27 3.670 -1.848 -4.441 208 HB ILE 27 HB ILE 27 1.431 -3.274 -5.882 209 1HG1 ILE 27 HG12 ILE 27 1.983 -0.310 -5.612 210 2HG1 ILE 27 HG11 ILE 27 2.321 -1.265 -7.052 211 1HG2 ILE 27 HG21 ILE 27 0.993 -3.245 -3.521 212 2HG2 ILE 27 HG22 ILE 27 -0.035 -2.043 -4.300 213 3HG2 ILE 27 HG23 ILE 27 1.405 -1.533 -3.416 214 1HD1 ILE 27 HD11 ILE 27 -0.359 -0.634 -5.855 215 2HD1 ILE 27 HD12 ILE 27 -0.115 -1.820 -7.133 216 3HD1 ILE 27 HD13 ILE 27 0.281 -0.127 -7.420 217 H TYR 28 HN TYR 28 2.709 -5.073 -5.605 218 HA TYR 28 HA TYR 28 2.193 -6.119 -3.063 219 1HB TYR 28 HB2 TYR 28 2.924 -7.475 -5.666 220 2HB TYR 28 HB1 TYR 28 2.497 -8.371 -4.215 221 HD1 TYR 28 HD1 TYR 28 0.985 -5.304 -5.770 222 HD2 TYR 28 HD2 TYR 28 0.447 -9.353 -4.572 223 HE1 TYR 28 HE1 TYR 28 -1.389 -5.170 -6.392 224 HE2 TYR 28 HE2 TYR 28 -1.924 -9.230 -5.199 225 HH TYR 28 HH TYR 28 -3.645 -7.676 -5.597 226 H ASP 29 HN ASP 29 5.184 -6.255 -5.009 227 HA ASP 29 HA ASP 29 6.566 -7.854 -3.086 228 1HB ASP 29 HB2 ASP 29 7.205 -7.514 -5.543 229 2HB ASP 29 HB1 ASP 29 7.891 -5.970 -5.036 230 H ARG 30 HN ARG 30 6.440 -4.396 -3.756 231 HA ARG 30 HA ARG 30 8.420 -3.611 -1.913 232 1HB ARG 30 HB2 ARG 30 7.656 -2.240 -3.815 233 2HB ARG 30 HB1 ARG 30 6.114 -2.002 -3.007 234 1HG ARG 30 HG2 ARG 30 7.265 -0.060 -2.533 235 2HG ARG 30 HG1 ARG 30 7.513 -1.039 -1.085 236 1HD ARG 30 HD2 ARG 30 9.465 -0.790 -3.370 237 2HD ARG 30 HD1 ARG 30 9.557 0.092 -1.845 238 HE ARG 30 HE ARG 30 9.780 -2.136 -0.770 239 1HH1 ARG 30 HH11 ARG 30 10.695 -1.706 -4.120 240 2HH1 ARG 30 HH12 ARG 30 11.775 -3.061 -4.131 241 1HH2 ARG 30 HH21 ARG 30 11.209 -3.927 -0.783 242 2HH2 ARG 30 HH22 ARG 30 12.042 -4.338 -2.256 243 H ILE 31 HN ILE 31 4.887 -3.843 -1.612 244 HA ILE 31 HA ILE 31 4.874 -2.618 0.964 245 HB ILE 31 HB ILE 31 2.774 -4.002 -0.675 246 1HG1 ILE 31 HG12 ILE 31 1.616 -1.818 -0.257 247 2HG1 ILE 31 HG11 ILE 31 3.040 -1.278 0.648 248 1HG2 ILE 31 HG21 ILE 31 2.448 -4.836 1.613 249 2HG2 ILE 31 HG22 ILE 31 1.153 -3.744 1.123 250 3HG2 ILE 31 HG23 ILE 31 2.421 -3.176 2.212 251 1HD1 ILE 31 HD11 ILE 31 4.382 -1.449 -1.365 252 2HD1 ILE 31 HD12 ILE 31 2.989 -0.398 -1.629 253 3HD1 ILE 31 HD13 ILE 31 2.989 -2.043 -2.269 254 H LYS 32 HN LYS 32 4.810 -6.010 -0.155 255 HA LYS 32 HA LYS 32 4.776 -7.202 2.384 256 1HB LYS 32 HB2 LYS 32 6.205 -8.039 -0.134 257 2HB LYS 32 HB1 LYS 32 6.167 -9.024 1.319 258 1HG LYS 32 HG2 LYS 32 3.654 -8.958 1.154 259 2HG LYS 32 HG1 LYS 32 3.871 -8.242 -0.447 260 1HD LYS 32 HD2 LYS 32 5.296 -10.196 -1.043 261 2HD LYS 32 HD1 LYS 32 4.858 -10.921 0.504 262 1HE LYS 32 HE2 LYS 32 3.445 -11.843 -1.199 263 2HE LYS 32 HE1 LYS 32 2.471 -10.789 -0.176 264 1HZ LYS 32 HZ1 LYS 32 2.546 -9.086 -1.823 265 2HZ LYS 32 HZ2 LYS 32 2.060 -10.522 -2.590 266 3HZ LYS 32 HZ3 LYS 32 3.652 -9.960 -2.770 267 H SER 33 HN SER 33 7.371 -5.820 0.508 268 HA SER 33 HA SER 33 9.529 -6.408 2.217 269 1HB SER 33 HB2 SER 33 9.852 -5.767 -0.096 270 2HB SER 33 HB1 SER 33 9.072 -4.214 0.190 271 HG SER 33 HG SER 33 11.497 -5.070 1.419 272 H GLY 34 HN GLY 34 7.130 -3.861 2.209 273 1HA GLY 34 HA2 GLY 34 8.397 -2.028 3.919 274 2HA GLY 34 HA1 GLY 34 6.660 -2.186 3.701 275 H ASP 35 HN ASP 35 5.596 -3.954 4.921 276 HA ASP 35 HA ASP 35 7.044 -5.118 7.127 277 1HB ASP 35 HB2 ASP 35 6.510 -2.794 7.928 278 2HB ASP 35 HB1 ASP 35 4.804 -3.202 7.797 279 H LEU 36 HN LEU 36 5.539 -6.079 4.889 280 HA LEU 36 HA LEU 36 4.033 -7.688 4.339 281 1HB LEU 36 HB2 LEU 36 3.930 -8.178 7.317 282 2HB LEU 36 HB1 LEU 36 3.323 -9.264 6.083 283 HG LEU 36 HG LEU 36 6.217 -8.492 6.463 284 1HD1 LEU 36 HD11 LEU 36 5.440 -9.900 8.265 285 2HD1 LEU 36 HD12 LEU 36 6.484 -10.828 7.189 286 3HD1 LEU 36 HD13 LEU 36 4.735 -11.034 7.113 287 1HD2 LEU 36 HD21 LEU 36 5.705 -8.947 4.132 288 2HD2 LEU 36 HD22 LEU 36 4.929 -10.467 4.579 289 3HD2 LEU 36 HD23 LEU 36 6.663 -10.258 4.821 290 HA PRO 37 HA PRO 37 0.554 -4.886 4.607 291 1HB PRO 37 HB2 PRO 37 -1.007 -6.468 2.886 292 2HB PRO 37 HB1 PRO 37 -0.017 -5.080 2.439 293 1HG PRO 37 HG2 PRO 37 0.542 -7.963 2.151 294 2HG PRO 37 HG1 PRO 37 1.157 -6.588 1.216 295 1HD PRO 37 HD2 PRO 37 2.649 -7.965 3.033 296 2HD PRO 37 HD1 PRO 37 2.926 -6.262 2.621 297 H LYS 38 HN LYS 38 -1.026 -4.783 6.002 298 HA LYS 38 HA LYS 38 -2.039 -7.230 7.209 299 1HB LYS 38 HB2 LYS 38 -2.521 -4.339 7.959 300 2HB LYS 38 HB1 LYS 38 -3.165 -5.719 8.831 301 1HG LYS 38 HG2 LYS 38 -1.305 -4.991 10.064 302 2HG LYS 38 HG1 LYS 38 -0.759 -6.433 9.203 303 1HD LYS 38 HD2 LYS 38 0.274 -5.050 7.508 304 2HD LYS 38 HD1 LYS 38 -0.305 -3.586 8.314 305 1HE LYS 38 HE2 LYS 38 1.958 -3.812 8.950 306 2HE LYS 38 HE1 LYS 38 1.016 -4.344 10.340 307 1HZ LYS 38 HZ1 LYS 38 2.424 -6.051 8.365 308 2HZ LYS 38 HZ2 LYS 38 1.357 -6.657 9.533 309 3HZ LYS 38 HZ3 LYS 38 2.784 -5.873 10.013 310 H ALA 39 HN ALA 39 -2.772 -5.086 4.757 311 HA ALA 39 HA ALA 39 -5.421 -4.707 4.531 312 1HB ALA 39 HB1 ALA 39 -3.758 -4.107 2.837 313 2HB ALA 39 HB2 ALA 39 -5.159 -4.911 2.129 314 3HB ALA 39 HB3 ALA 39 -3.654 -5.800 2.353 315 H LYS 40 HN LYS 40 -7.136 -5.840 3.369 316 HA LYS 40 HA LYS 40 -7.067 -8.678 4.103 317 1HB LYS 40 HB2 LYS 40 -9.328 -6.696 3.967 318 2HB LYS 40 HB1 LYS 40 -9.631 -8.429 3.947 319 1HG LYS 40 HG2 LYS 40 -9.875 -7.738 6.188 320 2HG LYS 40 HG1 LYS 40 -8.325 -8.572 6.098 321 1HD LYS 40 HD2 LYS 40 -7.857 -6.685 7.380 322 2HD LYS 40 HD1 LYS 40 -7.321 -6.219 5.762 323 1HE LYS 40 HE2 LYS 40 -8.565 -4.397 6.759 324 2HE LYS 40 HE1 LYS 40 -9.487 -5.072 5.418 325 1HZ LYS 40 HZ1 LYS 40 -10.844 -6.294 6.988 326 2HZ LYS 40 HZ2 LYS 40 -10.882 -4.638 7.359 327 3HZ LYS 40 HZ3 LYS 40 -9.941 -5.693 8.292 328 H VAL 41 HN VAL 41 -6.004 -9.207 2.232 329 HA VAL 41 HA VAL 41 -7.479 -8.937 -0.275 330 HB VAL 41 HB VAL 41 -5.269 -8.073 -0.409 331 1HG1 VAL 41 HG11 VAL 41 -4.289 -10.675 0.738 332 2HG1 VAL 41 HG12 VAL 41 -4.272 -9.098 1.529 333 3HG1 VAL 41 HG13 VAL 41 -3.262 -9.384 0.112 334 1HG2 VAL 41 HG21 VAL 41 -5.309 -10.817 -1.644 335 2HG2 VAL 41 HG22 VAL 41 -4.238 -9.497 -2.111 336 3HG2 VAL 41 HG23 VAL 41 -5.979 -9.346 -2.346 337 H ILE 42 HN ILE 42 -8.750 -10.620 -0.704 338 HA ILE 42 HA ILE 42 -7.994 -13.249 0.339 339 HB ILE 42 HB ILE 42 -10.131 -12.463 1.164 340 1HG1 ILE 42 HG12 ILE 42 -11.611 -14.314 0.362 341 2HG1 ILE 42 HG11 ILE 42 -10.411 -14.678 -0.874 342 1HG2 ILE 42 HG21 ILE 42 -10.925 -12.213 -1.729 343 2HG2 ILE 42 HG22 ILE 42 -10.745 -10.906 -0.558 344 3HG2 ILE 42 HG23 ILE 42 -12.036 -12.092 -0.364 345 1HD1 ILE 42 HD11 ILE 42 -9.963 -14.796 2.098 346 2HD1 ILE 42 HD12 ILE 42 -8.773 -15.180 0.854 347 3HD1 ILE 42 HD13 ILE 42 -10.219 -16.175 1.029 348 H HIS 43 HN HIS 43 -8.647 -11.491 -2.577 349 HA HIS 43 HA HIS 43 -8.336 -13.998 -4.088 350 1HB HIS 43 HB2 HIS 43 -10.126 -11.651 -4.727 351 2HB HIS 43 HB1 HIS 43 -9.753 -12.925 -5.880 352 HD1 HIS 43 HD1 HIS 43 -12.334 -11.977 -3.721 353 HD2 HIS 43 HD2 HIS 43 -10.456 -15.605 -4.509 354 HE1 HIS 43 HE1 HIS 43 -13.962 -13.757 -3.000 355 HE2 HIS 43 HE2 HIS 43 -12.906 -15.923 -3.733 356 H GLY 44 HN GLY 44 -6.153 -12.459 -3.367 357 1HA GLY 44 HA2 GLY 44 -4.210 -11.735 -4.405 358 2HA GLY 44 HA1 GLY 44 -5.054 -11.798 -5.949 359 H ARG 45 HN ARG 45 -7.238 -10.130 -5.006 360 HA ARG 45 HA ARG 45 -6.040 -7.605 -4.216 361 1HB ARG 45 HB2 ARG 45 -7.203 -6.407 -6.069 362 2HB ARG 45 HB1 ARG 45 -5.909 -7.460 -6.626 363 1HG ARG 45 HG2 ARG 45 -7.637 -9.183 -7.145 364 2HG ARG 45 HG1 ARG 45 -8.869 -7.982 -6.758 365 1HD ARG 45 HD2 ARG 45 -6.735 -7.619 -8.850 366 2HD ARG 45 HD1 ARG 45 -8.366 -8.190 -9.189 367 HE ARG 45 HE ARG 45 -8.686 -5.810 -7.838 368 1HH1 ARG 45 HH11 ARG 45 -7.021 -6.846 -10.738 369 2HH1 ARG 45 HH12 ARG 45 -7.348 -5.378 -11.613 370 1HH2 ARG 45 HH21 ARG 45 -9.102 -3.846 -8.975 371 2HH2 ARG 45 HH22 ARG 45 -8.532 -3.672 -10.612 372 H ALA 46 HN ALA 46 -7.511 -6.258 -3.168 373 HA ALA 46 HA ALA 46 -10.320 -6.635 -3.280 374 1HB ALA 46 HB1 ALA 46 -9.810 -8.599 -1.905 375 2HB ALA 46 HB2 ALA 46 -10.730 -7.399 -0.996 376 3HB ALA 46 HB3 ALA 46 -8.995 -7.567 -0.731 377 H ARG 47 HN ARG 47 -8.790 -5.856 -0.217 378 HA ARG 47 HA ARG 47 -8.920 -2.984 -0.853 379 1HB ARG 47 HB2 ARG 47 -10.019 -4.185 1.703 380 2HB ARG 47 HB1 ARG 47 -10.019 -2.484 1.259 381 1HG ARG 47 HG2 ARG 47 -11.563 -2.967 -0.575 382 2HG ARG 47 HG1 ARG 47 -11.563 -4.672 -0.121 383 1HD ARG 47 HD2 ARG 47 -12.363 -3.950 2.151 384 2HD ARG 47 HD1 ARG 47 -12.587 -2.337 1.476 385 HE ARG 47 HE ARG 47 -13.901 -4.414 -0.017 386 1HH1 ARG 47 HH11 ARG 47 -14.180 -2.178 2.650 387 2HH1 ARG 47 HH12 ARG 47 -15.912 -2.231 2.690 388 1HH2 ARG 47 HH21 ARG 47 -16.162 -4.500 0.012 389 2HH2 ARG 47 HH22 ARG 47 -17.053 -3.555 1.172 390 H TRP 48 HN TRP 48 -7.202 -1.900 -0.079 391 HA TRP 48 HA TRP 48 -5.274 -3.507 1.446 392 1HB TRP 48 HB2 TRP 48 -4.932 -2.289 -0.958 393 2HB TRP 48 HB1 TRP 48 -4.381 -1.012 0.121 394 HD1 TRP 48 HD1 TRP 48 -2.391 -1.833 1.922 395 HE1 TRP 48 HE1 TRP 48 -0.409 -3.409 1.492 396 HE3 TRP 48 HE3 TRP 48 -4.112 -4.156 -2.289 397 HZ2 TRP 48 HZ2 TRP 48 0.348 -5.361 -0.412 398 HZ3 TRP 48 HZ3 TRP 48 -2.697 -5.857 -3.363 399 HH2 TRP 48 HH2 TRP 48 -0.511 -6.447 -2.442 400 H LEU 49 HN LEU 49 -4.288 -2.631 3.293 401 HA LEU 49 HA LEU 49 -5.756 -0.478 4.538 402 1HB LEU 49 HB2 LEU 49 -3.584 -2.331 5.474 403 2HB LEU 49 HB1 LEU 49 -4.162 -1.000 6.448 404 HG LEU 49 HG LEU 49 -5.779 -3.365 5.512 405 1HD1 LEU 49 HD11 LEU 49 -5.916 -3.889 7.889 406 2HD1 LEU 49 HD12 LEU 49 -4.886 -2.505 8.258 407 3HD1 LEU 49 HD13 LEU 49 -4.243 -3.863 7.332 408 1HD2 LEU 49 HD21 LEU 49 -6.626 -0.995 7.175 409 2HD2 LEU 49 HD22 LEU 49 -7.602 -2.427 6.842 410 3HD2 LEU 49 HD23 LEU 49 -7.145 -1.343 5.527 411 H TYR 50 HN TYR 50 -4.995 1.546 4.921 412 HA TYR 50 HA TYR 50 -2.959 2.573 3.299 413 1HB TYR 50 HB2 TYR 50 -4.754 3.990 4.215 414 2HB TYR 50 HB1 TYR 50 -4.080 3.796 5.832 415 HD1 TYR 50 HD1 TYR 50 -3.530 5.307 2.519 416 HD2 TYR 50 HD2 TYR 50 -2.145 5.042 6.531 417 HE1 TYR 50 HE1 TYR 50 -2.117 7.279 2.147 418 HE2 TYR 50 HE2 TYR 50 -0.723 7.020 6.169 419 HH TYR 50 HH TYR 50 -1.094 9.091 3.538 420 H ARG 51 HN ARG 51 -2.933 1.525 6.662 421 HA ARG 51 HA ARG 51 -0.471 2.267 7.528 422 1HB ARG 51 HB2 ARG 51 -0.485 0.404 9.025 423 2HB ARG 51 HB1 ARG 51 -2.138 0.975 8.840 424 1HG ARG 51 HG2 ARG 51 -2.688 -0.843 7.413 425 2HG ARG 51 HG1 ARG 51 -0.996 -1.338 7.310 426 1HD ARG 51 HD2 ARG 51 -2.050 -2.809 8.833 427 2HD ARG 51 HD1 ARG 51 -1.075 -1.704 9.796 428 HE ARG 51 HE ARG 51 -3.825 -0.910 9.466 429 1HH1 ARG 51 HH11 ARG 51 -1.560 -2.718 11.426 430 2HH1 ARG 51 HH12 ARG 51 -2.566 -2.672 12.845 431 1HH2 ARG 51 HH21 ARG 51 -5.154 -0.867 11.335 432 2HH2 ARG 51 HH22 ARG 51 -4.579 -1.625 12.796 433 H ASP 52 HN ASP 52 -1.181 -0.491 5.422 434 HA ASP 52 HA ASP 52 1.391 -1.582 5.323 435 1HB ASP 52 HB2 ASP 52 -0.655 -1.561 3.095 436 2HB ASP 52 HB1 ASP 52 0.665 -2.708 3.302 437 H HIS 53 HN HIS 53 -0.106 1.046 3.599 438 HA HIS 53 HA HIS 53 2.089 1.465 1.801 439 1HB HIS 53 HB2 HIS 53 -0.203 3.266 2.624 440 2HB HIS 53 HB1 HIS 53 0.994 3.697 1.408 441 HD1 HIS 53 HD1 HIS 53 -0.932 3.879 -0.337 442 HD2 HIS 53 HD2 HIS 53 -0.367 0.079 1.258 443 HE1 HIS 53 HE1 HIS 53 -2.345 2.332 -1.740 444 HE2 HIS 53 HE2 HIS 53 -1.806 0.027 -0.881 445 H CYS 54 HN CYS 54 0.996 2.777 4.879 446 HA CYS 54 HA CYS 54 2.850 4.857 5.134 447 1HB CYS 54 HB2 CYS 54 0.863 4.498 6.606 448 2HB CYS 54 HB1 CYS 54 1.706 3.149 7.358 449 HG CYS 54 HG CYS 54 2.020 6.433 7.886 450 H GLU 55 HN GLU 55 3.028 1.452 6.102 451 HA GLU 55 HA GLU 55 5.605 1.593 7.250 452 1HB GLU 55 HB2 GLU 55 4.284 -0.824 6.012 453 2HB GLU 55 HB1 GLU 55 5.573 -0.817 7.211 454 1HG GLU 55 HG2 GLU 55 2.702 -0.012 7.593 455 2HG GLU 55 HG1 GLU 55 3.552 -1.369 8.326 456 H PHE 56 HN PHE 56 4.473 0.513 4.040 457 HA PHE 56 HA PHE 56 7.040 -0.174 3.142 458 1HB PHE 56 HB2 PHE 56 5.972 -0.997 1.365 459 2HB PHE 56 HB1 PHE 56 4.497 -0.551 2.207 460 HD1 PHE 56 HD1 PHE 56 6.955 0.648 -0.276 461 HD2 PHE 56 HD2 PHE 56 3.018 0.966 1.277 462 HE1 PHE 56 HE1 PHE 56 6.342 2.124 -2.144 463 HE2 PHE 56 HE2 PHE 56 2.388 2.439 -0.573 464 HZ PHE 56 HZ PHE 56 4.011 2.934 -2.340 465 H LYS 57 HN LYS 57 5.128 2.789 2.586 466 HA LYS 57 HA LYS 57 6.987 4.181 1.020 467 1HB LYS 57 HB2 LYS 57 4.959 5.181 3.021 468 2HB LYS 57 HB1 LYS 57 5.907 6.251 1.993 469 1HG LYS 57 HG2 LYS 57 4.064 4.090 1.000 470 2HG LYS 57 HG1 LYS 57 3.654 5.804 1.108 471 1HD LYS 57 HD2 LYS 57 6.096 4.949 -0.384 472 2HD LYS 57 HD1 LYS 57 4.511 4.789 -1.144 473 1HE LYS 57 HE2 LYS 57 5.640 7.335 0.007 474 2HE LYS 57 HE1 LYS 57 5.654 6.908 -1.704 475 1HZ LYS 57 HZ1 LYS 57 3.167 6.738 -1.531 476 2HZ LYS 57 HZ2 LYS 57 3.794 8.307 -1.364 477 3HZ LYS 57 HZ3 LYS 57 3.289 7.451 0.009 478 H ASN 58 HN ASN 58 6.717 3.731 4.450 479 HA ASN 58 HA ASN 58 8.628 5.512 5.400 480 1HB ASN 58 HB2 ASN 58 7.124 4.368 6.879 481 2HB ASN 58 HB1 ASN 58 7.729 2.796 6.360 482 1HD2 ASN 58 HD21 ASN 58 8.296 2.104 8.336 483 2HD2 ASN 58 HD22 ASN 58 9.603 2.774 9.263 484 H LYS 59 HN LYS 59 9.015 2.181 4.193 485 HA LYS 59 HA LYS 59 11.770 2.066 4.824 486 1HB LYS 59 HB2 LYS 59 10.813 -0.010 4.805 487 2HB LYS 59 HB1 LYS 59 9.732 0.378 3.477 488 1HG LYS 59 HG2 LYS 59 12.539 0.331 2.756 489 2HG LYS 59 HG1 LYS 59 11.902 -1.215 3.316 490 1HD LYS 59 HD2 LYS 59 10.851 -1.522 1.373 491 2HD LYS 59 HD1 LYS 59 10.011 0.022 1.574 492 1HE LYS 59 HE2 LYS 59 11.304 -0.086 -0.521 493 2HE LYS 59 HE1 LYS 59 11.853 1.199 0.552 494 1HZ LYS 59 HZ1 LYS 59 13.774 0.162 -0.269 495 2HZ LYS 59 HZ2 LYS 59 13.169 -1.399 -0.002 496 3HZ LYS 59 HZ3 LYS 59 13.607 -0.425 1.314 497 H LEU 60 HN LEU 60 9.870 2.920 1.979 498 HA LEU 60 HA LEU 60 12.051 3.159 0.177 499 1HB LEU 60 HB2 LEU 60 9.307 4.389 0.259 500 2HB LEU 60 HB1 LEU 60 10.465 4.842 -0.974 501 HG LEU 60 HG LEU 60 9.395 2.044 -0.535 502 1HD1 LEU 60 HD11 LEU 60 8.197 2.403 -2.600 503 2HD1 LEU 60 HD12 LEU 60 8.820 4.050 -2.702 504 3HD1 LEU 60 HD13 LEU 60 7.722 3.601 -1.397 505 1HD2 LEU 60 HD21 LEU 60 11.672 2.067 -1.439 506 2HD2 LEU 60 HD22 LEU 60 11.154 3.165 -2.716 507 3HD2 LEU 60 HD23 LEU 60 10.503 1.529 -2.641 508 H LEU 61 HN LEU 61 10.487 5.367 2.414 509 HA LEU 61 HA LEU 61 11.953 7.691 1.762 510 1HB LEU 61 HB2 LEU 61 9.836 7.758 2.959 511 2HB LEU 61 HB1 LEU 61 10.534 6.875 4.300 512 HG LEU 61 HG LEU 61 12.038 8.784 4.751 513 1HD1 LEU 61 HD11 LEU 61 12.143 9.721 2.508 514 2HD1 LEU 61 HD12 LEU 61 11.588 10.935 3.659 515 3HD1 LEU 61 HD13 LEU 61 10.433 10.142 2.588 516 1HD2 LEU 61 HD21 LEU 61 10.310 10.275 5.648 517 2HD2 LEU 61 HD22 LEU 61 9.936 8.580 5.957 518 3HD2 LEU 61 HD23 LEU 61 9.099 9.449 4.671 519 H SER 62 HN SER 62 12.459 5.085 4.073 520 HA SER 62 HA SER 62 14.604 6.114 5.514 521 1HB SER 62 HB2 SER 62 13.360 4.054 6.102 522 2HB SER 62 HB1 SER 62 14.108 3.225 4.739 523 HG SER 62 HG SER 62 15.712 4.482 6.695 524 H ARG 63 HN ARG 63 14.548 4.454 2.394 525 HA ARG 63 HA ARG 63 17.444 4.683 2.198 526 1HB ARG 63 HB2 ARG 63 15.419 3.301 0.469 527 2HB ARG 63 HB1 ARG 63 17.118 3.450 0.035 528 1HG ARG 63 HG2 ARG 63 16.029 2.103 2.496 529 2HG ARG 63 HG1 ARG 63 16.666 1.317 1.060 530 1HD ARG 63 HD2 ARG 63 18.848 2.387 1.455 531 2HD ARG 63 HD1 ARG 63 18.206 3.090 2.939 532 HE ARG 63 HE ARG 63 17.763 0.505 3.387 533 1HH1 ARG 63 HH11 ARG 63 20.602 2.126 2.139 534 2HH1 ARG 63 HH12 ARG 63 21.708 0.929 2.730 535 1HH2 ARG 63 HH21 ARG 63 19.210 -1.065 4.189 536 2HH2 ARG 63 HH22 ARG 63 20.916 -0.886 3.913 537 H ALA 64 HN ALA 64 15.511 4.862 -0.661 538 HA ALA 64 HA ALA 64 15.423 7.684 -0.953 539 1HB ALA 64 HB1 ALA 64 17.577 6.235 -2.497 540 2HB ALA 64 HB2 ALA 64 17.828 7.455 -1.247 541 3HB ALA 64 HB3 ALA 64 17.066 7.899 -2.774 542 H ASN 65 HN ASN 65 13.442 6.013 -1.161 543 HA ASN 65 HA ASN 65 11.808 5.062 -2.412 544 1HB ASN 65 HB2 ASN 65 12.087 7.354 -3.610 545 2HB ASN 65 HB1 ASN 65 12.896 6.429 -4.871 546 1HD2 ASN 65 HD21 ASN 65 11.695 4.936 -6.094 547 2HD2 ASN 65 HD22 ASN 65 9.966 4.986 -6.134 548 H GLY 66 HN GLY 66 13.992 3.542 -1.942 549 1HA GLY 66 HA2 GLY 66 14.013 1.803 -4.288 550 2HA GLY 66 HA1 GLY 66 15.562 2.304 -3.614 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -9.028 15.665 -7.316 2 2H MET 1 HT2 MET 1 -10.595 16.295 -7.426 3 3H MET 1 HT3 MET 1 -10.361 14.618 -7.340 4 HA MET 1 HA MET 1 -9.758 16.587 -5.214 5 1HB MET 1 HB2 MET 1 -12.160 16.145 -5.492 6 2HB MET 1 HB1 MET 1 -11.860 14.415 -5.389 7 1HG MET 1 HG2 MET 1 -10.981 14.754 -3.099 8 2HG MET 1 HG1 MET 1 -11.440 16.451 -3.215 9 1HE MET 1 HE1 MET 1 -14.098 15.009 -0.733 10 2HE MET 1 HE2 MET 1 -12.877 16.251 -0.999 11 3HE MET 1 HE3 MET 1 -12.395 14.560 -0.855 12 H GLN 2 HN GLN 2 -8.068 15.991 -4.066 13 HA GLN 2 HA GLN 2 -7.068 13.303 -4.107 14 1HB GLN 2 HB2 GLN 2 -5.387 14.145 -2.495 15 2HB GLN 2 HB1 GLN 2 -5.499 15.136 -3.940 16 1HG GLN 2 HG2 GLN 2 -5.379 16.748 -2.339 17 2HG GLN 2 HG1 GLN 2 -7.127 16.559 -2.461 18 1HE2 GLN 2 HE21 GLN 2 -7.469 17.306 -0.387 19 2HE2 GLN 2 HE22 GLN 2 -7.075 16.370 1.015 20 H HIS 3 HN HIS 3 -7.029 11.826 -2.390 21 HA HIS 3 HA HIS 3 -9.377 12.123 -0.660 22 1HB HIS 3 HB2 HIS 3 -7.957 9.618 -1.590 23 2HB HIS 3 HB1 HIS 3 -9.416 9.670 -0.612 24 HD1 HIS 3 HD1 HIS 3 -8.215 9.916 -4.113 25 HD2 HIS 3 HD2 HIS 3 -11.758 10.495 -2.012 26 HE1 HIS 3 HE1 HIS 3 -10.028 9.987 -5.852 27 HE2 HIS 3 HE2 HIS 3 -12.179 10.201 -4.552 28 H GLU 4 HN GLU 4 -9.210 11.966 1.504 29 HA GLU 4 HA GLU 4 -6.524 11.442 2.586 30 1HB GLU 4 HB2 GLU 4 -8.628 13.389 3.514 31 2HB GLU 4 HB1 GLU 4 -7.243 12.934 4.498 32 1HG GLU 4 HG2 GLU 4 -5.766 13.734 2.662 33 2HG GLU 4 HG1 GLU 4 -7.208 14.331 1.836 34 H LEU 5 HN LEU 5 -6.288 9.988 4.096 35 HA LEU 5 HA LEU 5 -8.463 9.165 5.817 36 1HB LEU 5 HB2 LEU 5 -8.075 6.759 5.386 37 2HB LEU 5 HB1 LEU 5 -8.757 7.591 4.004 38 HG LEU 5 HG LEU 5 -5.806 7.372 4.005 39 1HD1 LEU 5 HD11 LEU 5 -6.440 5.180 4.915 40 2HD1 LEU 5 HD12 LEU 5 -5.836 5.051 3.262 41 3HD1 LEU 5 HD13 LEU 5 -7.569 4.957 3.579 42 1HD2 LEU 5 HD21 LEU 5 -7.094 8.327 2.152 43 2HD2 LEU 5 HD22 LEU 5 -7.953 6.795 1.976 44 3HD2 LEU 5 HD23 LEU 5 -6.220 6.876 1.661 45 H GLN 6 HN GLN 6 -7.547 7.601 7.497 46 HA GLN 6 HA GLN 6 -4.853 8.541 8.183 47 1HB GLN 6 HB2 GLN 6 -5.381 8.071 10.460 48 2HB GLN 6 HB1 GLN 6 -6.741 8.948 9.777 49 1HG GLN 6 HG2 GLN 6 -7.956 6.841 9.512 50 2HG GLN 6 HG1 GLN 6 -6.595 5.980 10.236 51 1HE2 GLN 6 HE21 GLN 6 -6.072 6.400 12.410 52 2HE2 GLN 6 HE22 GLN 6 -7.277 6.985 13.511 53 HA PRO 7 HA PRO 7 -2.515 4.842 7.825 54 1HB PRO 7 HB2 PRO 7 -2.831 4.478 10.786 55 2HB PRO 7 HB1 PRO 7 -1.391 4.270 9.780 56 1HG PRO 7 HG2 PRO 7 -1.772 6.499 11.205 57 2HG PRO 7 HG1 PRO 7 -1.025 6.547 9.599 58 1HD PRO 7 HD2 PRO 7 -3.686 7.475 10.457 59 2HD PRO 7 HD1 PRO 7 -2.732 7.939 9.036 60 H ASP 8 HN ASP 8 -5.256 4.438 10.099 61 HA ASP 8 HA ASP 8 -5.636 1.759 8.964 62 1HB ASP 8 HB2 ASP 8 -5.580 2.000 11.459 63 2HB ASP 8 HB1 ASP 8 -7.052 2.964 11.350 64 H SER 9 HN SER 9 -6.647 1.977 7.134 65 HA SER 9 HA SER 9 -9.404 2.394 7.003 66 1HB SER 9 HB2 SER 9 -8.617 4.834 7.114 67 2HB SER 9 HB1 SER 9 -7.866 4.566 5.532 68 HG SER 9 HG SER 9 -10.256 5.348 5.857 69 H LEU 10 HN LEU 10 -9.968 2.500 4.458 70 HA LEU 10 HA LEU 10 -8.212 0.425 3.377 71 1HB LEU 10 HB2 LEU 10 -10.109 -0.364 2.077 72 2HB LEU 10 HB1 LEU 10 -10.483 -0.322 3.786 73 HG LEU 10 HG LEU 10 -11.467 2.085 3.017 74 1HD1 LEU 10 HD11 LEU 10 -12.719 1.771 0.942 75 2HD1 LEU 10 HD12 LEU 10 -11.920 0.219 0.688 76 3HD1 LEU 10 HD13 LEU 10 -10.978 1.711 0.657 77 1HD2 LEU 10 HD21 LEU 10 -12.899 -0.564 2.915 78 2HD2 LEU 10 HD22 LEU 10 -13.656 1.020 3.094 79 3HD2 LEU 10 HD23 LEU 10 -12.598 0.398 4.363 80 H VAL 11 HN VAL 11 -6.941 0.914 1.850 81 HA VAL 11 HA VAL 11 -7.585 3.064 -0.051 82 HB VAL 11 HB VAL 11 -5.218 2.970 -0.683 83 1HG1 VAL 11 HG11 VAL 11 -4.233 3.756 1.430 84 2HG1 VAL 11 HG12 VAL 11 -5.666 3.182 2.283 85 3HG1 VAL 11 HG13 VAL 11 -5.806 4.477 1.094 86 1HG2 VAL 11 HG21 VAL 11 -3.643 1.585 0.577 87 2HG2 VAL 11 HG22 VAL 11 -4.809 0.613 -0.320 88 3HG2 VAL 11 HG23 VAL 11 -4.995 0.827 1.421 89 H ASP 12 HN ASP 12 -7.043 2.576 -2.342 90 HA ASP 12 HA ASP 12 -7.869 -0.169 -2.939 91 1HB ASP 12 HB2 ASP 12 -9.356 1.725 -3.672 92 2HB ASP 12 HB1 ASP 12 -8.053 2.285 -4.710 93 H LEU 13 HN LEU 13 -6.999 -1.096 -5.008 94 HA LEU 13 HA LEU 13 -4.188 -1.060 -5.095 95 1HB LEU 13 HB2 LEU 13 -5.569 -2.917 -5.904 96 2HB LEU 13 HB1 LEU 13 -6.162 -1.907 -7.206 97 HG LEU 13 HG LEU 13 -3.911 -1.806 -8.173 98 1HD1 LEU 13 HD11 LEU 13 -2.124 -3.230 -7.277 99 2HD1 LEU 13 HD12 LEU 13 -3.148 -3.634 -5.899 100 3HD1 LEU 13 HD13 LEU 13 -2.601 -1.974 -6.135 101 1HD2 LEU 13 HD21 LEU 13 -3.757 -4.136 -8.892 102 2HD2 LEU 13 HD22 LEU 13 -5.431 -3.581 -8.873 103 3HD2 LEU 13 HD23 LEU 13 -4.830 -4.615 -7.577 104 H LYS 14 HN LYS 14 -6.649 0.550 -7.061 105 HA LYS 14 HA LYS 14 -4.936 1.857 -8.876 106 1HB LYS 14 HB2 LYS 14 -7.349 1.756 -9.224 107 2HB LYS 14 HB1 LYS 14 -7.626 2.676 -7.751 108 1HG LYS 14 HG2 LYS 14 -6.425 4.590 -8.811 109 2HG LYS 14 HG1 LYS 14 -6.378 3.659 -10.310 110 1HD LYS 14 HD2 LYS 14 -8.790 3.581 -10.383 111 2HD LYS 14 HD1 LYS 14 -8.895 4.386 -8.817 112 1HE LYS 14 HE2 LYS 14 -7.795 6.367 -9.794 113 2HE LYS 14 HE1 LYS 14 -7.775 5.558 -11.362 114 1HZ LYS 14 HZ1 LYS 14 -10.163 5.524 -11.373 115 2HZ LYS 14 HZ2 LYS 14 -9.646 7.114 -11.107 116 3HZ LYS 14 HZ3 LYS 14 -10.232 6.183 -9.815 117 H PHE 15 HN PHE 15 -6.002 2.577 -5.638 118 HA PHE 15 HA PHE 15 -5.069 5.215 -5.449 119 1HB PHE 15 HB2 PHE 15 -6.617 3.928 -3.850 120 2HB PHE 15 HB1 PHE 15 -5.137 3.290 -3.143 121 HD1 PHE 15 HD1 PHE 15 -6.654 6.558 -4.090 122 HD2 PHE 15 HD2 PHE 15 -4.161 4.415 -1.394 123 HE1 PHE 15 HE1 PHE 15 -6.416 8.580 -2.712 124 HE2 PHE 15 HE2 PHE 15 -3.913 6.434 -0.011 125 HZ PHE 15 HZ PHE 15 -5.043 8.521 -0.671 126 H ILE 16 HN ILE 16 -3.551 2.120 -4.529 127 HA ILE 16 HA ILE 16 -1.119 3.112 -3.624 128 HB ILE 16 HB ILE 16 -1.061 0.620 -5.263 129 1HG1 ILE 16 HG12 ILE 16 -2.348 0.806 -2.525 130 2HG1 ILE 16 HG11 ILE 16 -3.207 0.478 -4.022 131 1HG2 ILE 16 HG21 ILE 16 0.117 1.526 -2.643 132 2HG2 ILE 16 HG22 ILE 16 0.958 1.343 -4.184 133 3HG2 ILE 16 HG23 ILE 16 0.352 -0.078 -3.331 134 1HD1 ILE 16 HD11 ILE 16 -2.811 -1.547 -2.711 135 2HD1 ILE 16 HD12 ILE 16 -1.073 -1.269 -2.819 136 3HD1 ILE 16 HD13 ILE 16 -2.004 -1.611 -4.279 137 H MET 17 HN MET 17 -2.156 2.404 -6.931 138 HA MET 17 HA MET 17 0.303 2.963 -8.187 139 1HB MET 17 HB2 MET 17 -2.520 3.162 -9.245 140 2HB MET 17 HB1 MET 17 -1.082 3.309 -10.247 141 1HG MET 17 HG2 MET 17 -0.415 1.042 -9.616 142 2HG MET 17 HG1 MET 17 -1.865 0.898 -8.624 143 1HE MET 17 HE1 MET 17 -1.040 -1.210 -10.892 144 2HE MET 17 HE2 MET 17 -2.628 -1.510 -11.598 145 3HE MET 17 HE3 MET 17 -2.458 -1.344 -9.851 146 H ALA 18 HN ALA 18 -2.450 5.036 -7.376 147 HA ALA 18 HA ALA 18 -1.295 7.432 -8.394 148 1HB ALA 18 HB1 ALA 18 -3.375 7.125 -6.229 149 2HB ALA 18 HB2 ALA 18 -3.708 7.177 -7.960 150 3HB ALA 18 HB3 ALA 18 -3.027 8.587 -7.149 151 H ASP 19 HN ASP 19 -0.946 5.624 -5.483 152 HA ASP 19 HA ASP 19 -0.034 7.583 -3.688 153 1HB ASP 19 HB2 ASP 19 -0.781 5.168 -3.235 154 2HB ASP 19 HB1 ASP 19 0.837 4.687 -3.718 155 H THR 20 HN THR 20 1.762 5.354 -5.813 156 HA THR 20 HA THR 20 4.181 6.963 -5.316 157 HB THR 20 HB THR 20 5.363 4.870 -6.248 158 HG1 THR 20 HG1 THR 20 2.997 3.584 -5.338 159 1HG2 THR 20 HG21 THR 20 5.520 5.567 -3.923 160 2HG2 THR 20 HG22 THR 20 5.367 3.813 -4.027 161 3HG2 THR 20 HG23 THR 20 3.976 4.795 -3.570 162 H GLY 21 HN GLY 21 2.342 5.300 -7.843 163 1HA GLY 21 HA2 GLY 21 2.067 6.399 -9.986 164 2HA GLY 21 HA1 GLY 21 3.712 7.000 -9.825 165 H PHE 22 HN PHE 22 3.301 3.779 -8.796 166 HA PHE 22 HA PHE 22 4.601 2.878 -11.287 167 1HB PHE 22 HB2 PHE 22 5.024 1.812 -8.485 168 2HB PHE 22 HB1 PHE 22 5.835 1.246 -9.942 169 HD1 PHE 22 HD1 PHE 22 5.922 3.530 -7.223 170 HD2 PHE 22 HD2 PHE 22 7.296 2.921 -11.204 171 HE1 PHE 22 HE1 PHE 22 7.712 5.176 -6.852 172 HE2 PHE 22 HE2 PHE 22 9.086 4.571 -10.843 173 HZ PHE 22 HZ PHE 22 9.296 5.700 -8.667 174 H GLY 23 HN GLY 23 4.442 0.440 -11.557 175 1HA GLY 23 HA2 GLY 23 1.640 -0.228 -11.587 176 2HA GLY 23 HA1 GLY 23 2.946 -1.161 -12.298 177 H LYS 24 HN LYS 24 0.873 -2.366 -10.991 178 HA LYS 24 HA LYS 24 1.027 -2.844 -8.293 179 1HB LYS 24 HB2 LYS 24 -0.040 -5.052 -8.800 180 2HB LYS 24 HB1 LYS 24 -0.835 -3.653 -9.507 181 1HG LYS 24 HG2 LYS 24 0.391 -4.160 -11.635 182 2HG LYS 24 HG1 LYS 24 0.900 -5.676 -10.888 183 1HD LYS 24 HD2 LYS 24 -1.383 -6.388 -10.644 184 2HD LYS 24 HD1 LYS 24 -1.975 -4.818 -11.188 185 1HE LYS 24 HE2 LYS 24 -0.848 -5.232 -13.371 186 2HE LYS 24 HE1 LYS 24 -0.465 -6.858 -12.809 187 1HZ LYS 24 HZ1 LYS 24 -3.227 -5.790 -12.958 188 2HZ LYS 24 HZ2 LYS 24 -2.757 -7.399 -12.696 189 3HZ LYS 24 HZ3 LYS 24 -2.501 -6.673 -14.209 190 H THR 25 HN THR 25 3.045 -4.323 -10.803 191 HA THR 25 HA THR 25 4.067 -6.455 -9.320 192 HB THR 25 HB THR 25 4.494 -6.249 -11.708 193 HG1 THR 25 HG1 THR 25 6.197 -7.137 -10.027 194 1HG2 THR 25 HG21 THR 25 6.317 -3.946 -11.015 195 2HG2 THR 25 HG22 THR 25 4.769 -3.821 -11.850 196 3HG2 THR 25 HG23 THR 25 6.118 -4.663 -12.613 197 H PHE 26 HN PHE 26 5.168 -3.103 -9.476 198 HA PHE 26 HA PHE 26 7.305 -3.285 -7.654 199 1HB PHE 26 HB2 PHE 26 7.233 -1.370 -8.988 200 2HB PHE 26 HB1 PHE 26 5.518 -1.121 -8.715 201 HD1 PHE 26 HD1 PHE 26 4.731 0.058 -6.791 202 HD2 PHE 26 HD2 PHE 26 8.883 -0.581 -7.419 203 HE1 PHE 26 HE1 PHE 26 5.236 1.796 -5.130 204 HE2 PHE 26 HE2 PHE 26 9.407 1.154 -5.745 205 HZ PHE 26 HZ PHE 26 7.575 2.345 -4.602 206 H ILE 27 HN ILE 27 3.922 -2.323 -7.245 207 HA ILE 27 HA ILE 27 3.885 -1.594 -4.595 208 HB ILE 27 HB ILE 27 1.724 -3.054 -6.116 209 1HG1 ILE 27 HG12 ILE 27 2.130 -0.086 -5.701 210 2HG1 ILE 27 HG11 ILE 27 2.546 -0.952 -7.176 211 1HG2 ILE 27 HG21 ILE 27 0.185 -1.967 -4.507 212 2HG2 ILE 27 HG22 ILE 27 1.591 -1.430 -3.582 213 3HG2 ILE 27 HG23 ILE 27 1.260 -3.152 -3.764 214 1HD1 ILE 27 HD11 ILE 27 0.451 0.109 -7.517 215 2HD1 ILE 27 HD12 ILE 27 -0.189 -0.538 -6.007 216 3HD1 ILE 27 HD13 ILE 27 0.148 -1.623 -7.355 217 H TYR 28 HN TYR 28 2.972 -4.818 -5.818 218 HA TYR 28 HA TYR 28 2.398 -5.826 -3.280 219 1HB TYR 28 HB2 TYR 28 3.030 -7.205 -5.885 220 2HB TYR 28 HB1 TYR 28 2.578 -8.091 -4.427 221 HD1 TYR 28 HD1 TYR 28 1.359 -5.220 -6.508 222 HD2 TYR 28 HD2 TYR 28 0.320 -8.584 -4.108 223 HE1 TYR 28 HE1 TYR 28 -1.009 -4.872 -7.045 224 HE2 TYR 28 HE2 TYR 28 -2.041 -8.239 -4.654 225 HH TYR 28 HH TYR 28 -3.519 -6.382 -5.383 226 H ASP 29 HN ASP 29 5.478 -5.540 -4.916 227 HA ASP 29 HA ASP 29 6.762 -7.422 -3.119 228 1HB ASP 29 HB2 ASP 29 7.638 -7.121 -5.412 229 2HB ASP 29 HB1 ASP 29 8.026 -5.442 -5.037 230 H ARG 30 HN ARG 30 6.589 -3.939 -3.592 231 HA ARG 30 HA ARG 30 8.382 -3.152 -1.584 232 1HB ARG 30 HB2 ARG 30 5.934 -1.727 -2.627 233 2HB ARG 30 HB1 ARG 30 7.185 -0.985 -1.644 234 1HG ARG 30 HG2 ARG 30 7.682 -2.217 -4.338 235 2HG ARG 30 HG1 ARG 30 7.332 -0.507 -4.083 236 1HD ARG 30 HD2 ARG 30 9.622 -0.486 -4.125 237 2HD ARG 30 HD1 ARG 30 9.323 -0.657 -2.397 238 HE ARG 30 HE ARG 30 9.992 -2.909 -2.527 239 1HH1 ARG 30 HH11 ARG 30 10.347 -1.174 -5.544 240 2HH1 ARG 30 HH12 ARG 30 11.363 -2.370 -6.282 241 1HH2 ARG 30 HH21 ARG 30 11.336 -4.514 -3.503 242 2HH2 ARG 30 HH22 ARG 30 11.950 -4.255 -5.109 243 H ILE 31 HN ILE 31 4.893 -3.692 -1.509 244 HA ILE 31 HA ILE 31 4.675 -2.793 1.202 245 HB ILE 31 HB ILE 31 2.676 -4.075 -0.665 246 1HG1 ILE 31 HG12 ILE 31 1.534 -1.858 -0.355 247 2HG1 ILE 31 HG11 ILE 31 2.937 -1.318 0.570 248 1HG2 ILE 31 HG21 ILE 31 2.230 -4.820 1.627 249 2HG2 ILE 31 HG22 ILE 31 0.982 -3.723 1.036 250 3HG2 ILE 31 HG23 ILE 31 2.208 -3.137 2.159 251 1HD1 ILE 31 HD11 ILE 31 2.883 -0.525 -1.762 252 2HD1 ILE 31 HD12 ILE 31 3.012 -2.200 -2.304 253 3HD1 ILE 31 HD13 ILE 31 4.321 -1.468 -1.374 254 H LYS 32 HN LYS 32 4.561 -5.979 -0.400 255 HA LYS 32 HA LYS 32 4.030 -7.517 1.861 256 1HB LYS 32 HB2 LYS 32 5.137 -8.005 -0.789 257 2HB LYS 32 HB1 LYS 32 5.573 -9.185 0.448 258 1HG LYS 32 HG2 LYS 32 2.744 -8.301 0.164 259 2HG LYS 32 HG1 LYS 32 3.414 -9.501 -0.911 260 1HD LYS 32 HD2 LYS 32 4.082 -10.856 1.041 261 2HD LYS 32 HD1 LYS 32 3.309 -9.660 2.083 262 1HE LYS 32 HE2 LYS 32 1.156 -10.149 1.159 263 2HE LYS 32 HE1 LYS 32 1.868 -11.177 -0.086 264 1HZ LYS 32 HZ1 LYS 32 1.976 -11.715 2.835 265 2HZ LYS 32 HZ2 LYS 32 2.576 -12.718 1.605 266 3HZ LYS 32 HZ3 LYS 32 0.904 -12.458 1.748 267 H SER 33 HN SER 33 7.116 -6.443 0.527 268 HA SER 33 HA SER 33 8.664 -7.748 2.569 269 1HB SER 33 HB2 SER 33 9.470 -7.356 0.227 270 2HB SER 33 HB1 SER 33 9.514 -5.630 0.591 271 HG SER 33 HG SER 33 10.965 -7.643 1.978 272 H GLY 34 HN GLY 34 7.068 -4.728 2.226 273 1HA GLY 34 HA2 GLY 34 8.699 -3.057 3.802 274 2HA GLY 34 HA1 GLY 34 6.979 -2.831 3.516 275 H ASP 35 HN ASP 35 5.549 -4.352 4.792 276 HA ASP 35 HA ASP 35 6.560 -5.523 7.189 277 1HB ASP 35 HB2 ASP 35 6.573 -3.027 7.724 278 2HB ASP 35 HB1 ASP 35 4.817 -3.093 7.614 279 H LEU 36 HN LEU 36 5.323 -6.941 5.613 280 HA LEU 36 HA LEU 36 3.486 -8.255 5.180 281 1HB LEU 36 HB2 LEU 36 3.617 -8.108 8.181 282 2HB LEU 36 HB1 LEU 36 2.633 -9.268 7.313 283 HG LEU 36 HG LEU 36 4.828 -10.005 6.186 284 1HD1 LEU 36 HD11 LEU 36 6.852 -9.627 7.471 285 2HD1 LEU 36 HD12 LEU 36 5.969 -8.589 8.591 286 3HD1 LEU 36 HD13 LEU 36 6.182 -8.094 6.912 287 1HD2 LEU 36 HD21 LEU 36 3.604 -11.357 7.787 288 2HD2 LEU 36 HD22 LEU 36 4.362 -10.488 9.124 289 3HD2 LEU 36 HD23 LEU 36 5.341 -11.497 8.058 290 HA PRO 37 HA PRO 37 0.384 -4.857 5.157 291 1HB PRO 37 HB2 PRO 37 -1.100 -6.311 3.234 292 2HB PRO 37 HB1 PRO 37 -0.019 -4.949 2.942 293 1HG PRO 37 HG2 PRO 37 0.488 -7.861 2.669 294 2HG PRO 37 HG1 PRO 37 1.176 -6.500 1.760 295 1HD PRO 37 HD2 PRO 37 2.607 -7.813 3.603 296 2HD PRO 37 HD1 PRO 37 2.771 -6.057 3.381 297 H LYS 38 HN LYS 38 -1.274 -4.678 6.445 298 HA LYS 38 HA LYS 38 -2.581 -7.066 7.480 299 1HB LYS 38 HB2 LYS 38 -2.865 -4.159 8.272 300 2HB LYS 38 HB1 LYS 38 -3.720 -5.486 9.041 301 1HG LYS 38 HG2 LYS 38 -1.888 -4.927 10.433 302 2HG LYS 38 HG1 LYS 38 -1.480 -6.452 9.641 303 1HD LYS 38 HD2 LYS 38 -0.150 -5.221 7.993 304 2HD LYS 38 HD1 LYS 38 -0.535 -3.709 8.817 305 1HE LYS 38 HE2 LYS 38 0.562 -4.600 10.854 306 2HE LYS 38 HE1 LYS 38 1.035 -6.031 9.934 307 1HZ LYS 38 HZ1 LYS 38 2.255 -4.584 8.412 308 2HZ LYS 38 HZ2 LYS 38 2.833 -4.428 9.995 309 3HZ LYS 38 HZ3 LYS 38 1.829 -3.236 9.340 310 H ALA 39 HN ALA 39 -2.912 -5.041 4.929 311 HA ALA 39 HA ALA 39 -5.378 -4.388 4.284 312 1HB ALA 39 HB1 ALA 39 -3.523 -4.497 2.704 313 2HB ALA 39 HB2 ALA 39 -4.986 -5.211 2.025 314 3HB ALA 39 HB3 ALA 39 -3.691 -6.250 2.621 315 H LYS 40 HN LYS 40 -7.284 -5.318 3.485 316 HA LYS 40 HA LYS 40 -7.875 -7.884 4.757 317 1HB LYS 40 HB2 LYS 40 -9.626 -5.583 3.894 318 2HB LYS 40 HB1 LYS 40 -10.291 -7.145 4.342 319 1HG LYS 40 HG2 LYS 40 -10.443 -5.695 6.228 320 2HG LYS 40 HG1 LYS 40 -9.211 -6.908 6.568 321 1HD LYS 40 HD2 LYS 40 -7.468 -5.272 5.961 322 2HD LYS 40 HD1 LYS 40 -8.720 -4.061 5.681 323 1HE LYS 40 HE2 LYS 40 -8.314 -5.478 8.310 324 2HE LYS 40 HE1 LYS 40 -7.590 -3.921 7.916 325 1HZ LYS 40 HZ1 LYS 40 -9.647 -3.697 9.188 326 2HZ LYS 40 HZ2 LYS 40 -10.508 -4.484 7.959 327 3HZ LYS 40 HZ3 LYS 40 -9.784 -2.980 7.659 328 H VAL 41 HN VAL 41 -7.166 -9.311 3.267 329 HA VAL 41 HA VAL 41 -8.163 -9.091 0.519 330 HB VAL 41 HB VAL 41 -6.033 -10.900 1.674 331 1HG1 VAL 41 HG11 VAL 41 -5.489 -11.402 -0.672 332 2HG1 VAL 41 HG12 VAL 41 -6.891 -10.463 -1.184 333 3HG1 VAL 41 HG13 VAL 41 -7.113 -11.933 -0.235 334 1HG2 VAL 41 HG21 VAL 41 -4.453 -9.478 0.463 335 2HG2 VAL 41 HG22 VAL 41 -5.351 -8.562 1.673 336 3HG2 VAL 41 HG23 VAL 41 -5.778 -8.428 -0.032 337 H ILE 42 HN ILE 42 -10.156 -9.969 0.430 338 HA ILE 42 HA ILE 42 -10.602 -12.574 1.659 339 HB ILE 42 HB ILE 42 -12.399 -10.966 1.940 340 1HG1 ILE 42 HG12 ILE 42 -14.289 -12.272 0.998 341 2HG1 ILE 42 HG11 ILE 42 -13.144 -13.170 0.005 342 1HG2 ILE 42 HG21 ILE 42 -12.039 -9.563 0.006 343 2HG2 ILE 42 HG22 ILE 42 -13.706 -10.138 0.029 344 3HG2 ILE 42 HG23 ILE 42 -12.534 -10.871 -1.068 345 1HD1 ILE 42 HD11 ILE 42 -13.221 -13.127 3.015 346 2HD1 ILE 42 HD12 ILE 42 -12.073 -14.029 2.024 347 3HD1 ILE 42 HD13 ILE 42 -13.789 -14.434 1.974 348 H HIS 43 HN HIS 43 -10.212 -11.033 -1.442 349 HA HIS 43 HA HIS 43 -9.466 -13.468 -2.693 350 1HB HIS 43 HB2 HIS 43 -11.933 -13.753 -2.728 351 2HB HIS 43 HB1 HIS 43 -12.080 -12.242 -3.616 352 HD1 HIS 43 HD1 HIS 43 -12.477 -12.657 -6.018 353 HD2 HIS 43 HD2 HIS 43 -10.043 -15.581 -4.328 354 HE1 HIS 43 HE1 HIS 43 -11.944 -14.260 -7.884 355 HE2 HIS 43 HE2 HIS 43 -10.357 -15.946 -6.873 356 H GLY 44 HN GLY 44 -7.774 -12.753 -3.780 357 1HA GLY 44 HA2 GLY 44 -6.635 -11.722 -5.488 358 2HA GLY 44 HA1 GLY 44 -8.151 -11.003 -6.006 359 H ARG 45 HN ARG 45 -6.393 -10.686 -2.946 360 HA ARG 45 HA ARG 45 -5.708 -8.846 -1.773 361 1HB ARG 45 HB2 ARG 45 -4.872 -7.955 -4.537 362 2HB ARG 45 HB1 ARG 45 -4.262 -7.302 -3.020 363 1HG ARG 45 HG2 ARG 45 -3.944 -10.148 -3.960 364 2HG ARG 45 HG1 ARG 45 -2.702 -8.898 -4.008 365 1HD ARG 45 HD2 ARG 45 -2.723 -8.732 -1.598 366 2HD ARG 45 HD1 ARG 45 -4.051 -9.886 -1.505 367 HE ARG 45 HE ARG 45 -1.630 -10.837 -2.794 368 1HH1 ARG 45 HH11 ARG 45 -3.495 -10.629 0.157 369 2HH1 ARG 45 HH12 ARG 45 -2.731 -11.992 0.907 370 1HH2 ARG 45 HH21 ARG 45 -0.604 -12.645 -1.820 371 2HH2 ARG 45 HH22 ARG 45 -1.089 -13.145 -0.226 372 H ALA 46 HN ALA 46 -8.105 -8.476 -1.516 373 HA ALA 46 HA ALA 46 -9.553 -6.775 -3.211 374 1HB ALA 46 HB1 ALA 46 -10.571 -8.435 -1.713 375 2HB ALA 46 HB2 ALA 46 -11.285 -6.833 -1.539 376 3HB ALA 46 HB3 ALA 46 -10.143 -7.424 -0.332 377 H ARG 47 HN ARG 47 -9.198 -5.946 0.216 378 HA ARG 47 HA ARG 47 -8.852 -3.139 -0.631 379 1HB ARG 47 HB2 ARG 47 -9.909 -4.273 1.973 380 2HB ARG 47 HB1 ARG 47 -9.740 -2.562 1.606 381 1HG ARG 47 HG2 ARG 47 -11.371 -2.780 -0.192 382 2HG ARG 47 HG1 ARG 47 -11.534 -4.503 0.162 383 1HD ARG 47 HD2 ARG 47 -12.131 -2.263 2.088 384 2HD ARG 47 HD1 ARG 47 -13.339 -3.148 1.161 385 HE ARG 47 HE ARG 47 -12.328 -5.177 2.422 386 1HH1 ARG 47 HH11 ARG 47 -12.756 -1.950 3.714 387 2HH1 ARG 47 HH12 ARG 47 -12.921 -2.480 5.360 388 1HH2 ARG 47 HH21 ARG 47 -12.564 -5.895 4.568 389 2HH2 ARG 47 HH22 ARG 47 -12.805 -4.743 5.848 390 H TRP 48 HN TRP 48 -7.133 -1.989 0.096 391 HA TRP 48 HA TRP 48 -5.169 -3.500 1.681 392 1HB TRP 48 HB2 TRP 48 -4.844 -2.343 -0.780 393 2HB TRP 48 HB1 TRP 48 -4.260 -1.065 0.284 394 HD1 TRP 48 HD1 TRP 48 -2.296 -1.888 2.085 395 HE1 TRP 48 HE1 TRP 48 -0.360 -3.529 1.704 396 HE3 TRP 48 HE3 TRP 48 -4.084 -4.279 -2.053 397 HZ2 TRP 48 HZ2 TRP 48 0.335 -5.566 -0.134 398 HZ3 TRP 48 HZ3 TRP 48 -2.722 -6.058 -3.066 399 HH2 TRP 48 HH2 TRP 48 -0.558 -6.689 -2.128 400 H LEU 49 HN LEU 49 -4.096 -2.430 3.421 401 HA LEU 49 HA LEU 49 -5.618 -0.217 4.511 402 1HB LEU 49 HB2 LEU 49 -3.510 -2.013 5.678 403 2HB LEU 49 HB1 LEU 49 -4.195 -0.653 6.532 404 HG LEU 49 HG LEU 49 -5.638 -3.146 5.649 405 1HD1 LEU 49 HD11 LEU 49 -4.314 -3.384 7.673 406 2HD1 LEU 49 HD12 LEU 49 -6.040 -3.425 8.039 407 3HD1 LEU 49 HD13 LEU 49 -5.103 -1.966 8.367 408 1HD2 LEU 49 HD21 LEU 49 -7.640 -2.175 6.670 409 2HD2 LEU 49 HD22 LEU 49 -7.089 -1.222 5.292 410 3HD2 LEU 49 HD23 LEU 49 -6.771 -0.663 6.934 411 H TYR 50 HN TYR 50 -4.695 1.756 5.075 412 HA TYR 50 HA TYR 50 -2.649 2.651 3.335 413 1HB TYR 50 HB2 TYR 50 -4.523 4.068 4.296 414 2HB TYR 50 HB1 TYR 50 -3.619 4.099 5.808 415 HD1 TYR 50 HD1 TYR 50 -3.647 5.227 2.298 416 HD2 TYR 50 HD2 TYR 50 -1.641 5.443 6.039 417 HE1 TYR 50 HE1 TYR 50 -2.349 7.154 1.485 418 HE2 TYR 50 HE2 TYR 50 -0.339 7.364 5.242 419 HH TYR 50 HH TYR 50 -1.134 9.121 2.513 420 H ARG 51 HN ARG 51 -2.719 1.694 6.717 421 HA ARG 51 HA ARG 51 -0.247 2.418 7.625 422 1HB ARG 51 HB2 ARG 51 -0.335 0.551 9.140 423 2HB ARG 51 HB1 ARG 51 -1.944 1.241 8.964 424 1HG ARG 51 HG2 ARG 51 -2.624 -0.542 7.532 425 2HG ARG 51 HG1 ARG 51 -0.976 -1.182 7.471 426 1HD ARG 51 HD2 ARG 51 -2.185 -2.518 9.008 427 2HD ARG 51 HD1 ARG 51 -1.117 -1.486 9.954 428 HE ARG 51 HE ARG 51 -4.019 -1.050 9.633 429 1HH1 ARG 51 HH11 ARG 51 -1.061 -0.754 11.474 430 2HH1 ARG 51 HH12 ARG 51 -1.851 -0.085 12.870 431 1HH2 ARG 51 HH21 ARG 51 -5.078 -0.209 11.488 432 2HH2 ARG 51 HH22 ARG 51 -4.120 0.223 12.884 433 H ASP 52 HN ASP 52 -1.008 -0.372 5.582 434 HA ASP 52 HA ASP 52 1.582 -1.469 5.549 435 1HB ASP 52 HB2 ASP 52 -0.424 -1.667 3.302 436 2HB ASP 52 HB1 ASP 52 0.836 -2.820 3.733 437 H HIS 53 HN HIS 53 0.060 1.087 3.758 438 HA HIS 53 HA HIS 53 2.126 1.361 1.794 439 1HB HIS 53 HB2 HIS 53 -0.005 3.301 2.736 440 2HB HIS 53 HB1 HIS 53 1.138 3.662 1.449 441 HD1 HIS 53 HD1 HIS 53 -0.838 3.931 -0.226 442 HD2 HIS 53 HD2 HIS 53 -0.429 0.121 1.422 443 HE1 HIS 53 HE1 HIS 53 -2.426 2.438 -1.521 444 HE2 HIS 53 HE2 HIS 53 -2.189 0.166 -0.466 445 H CYS 54 HN CYS 54 1.395 2.787 4.942 446 HA CYS 54 HA CYS 54 3.336 4.771 5.028 447 1HB CYS 54 HB2 CYS 54 2.376 3.008 7.296 448 2HB CYS 54 HB1 CYS 54 3.247 4.525 7.489 449 HG CYS 54 HG CYS 54 1.037 5.798 7.814 450 H GLU 55 HN GLU 55 3.586 1.332 5.840 451 HA GLU 55 HA GLU 55 6.284 1.440 6.673 452 1HB GLU 55 HB2 GLU 55 4.681 -0.907 5.654 453 2HB GLU 55 HB1 GLU 55 6.211 -1.002 6.520 454 1HG GLU 55 HG2 GLU 55 3.594 0.032 7.595 455 2HG GLU 55 HG1 GLU 55 4.390 -1.484 8.015 456 H PHE 56 HN PHE 56 4.784 0.449 3.584 457 HA PHE 56 HA PHE 56 7.241 -0.235 2.397 458 1HB PHE 56 HB2 PHE 56 6.015 -0.935 0.648 459 2HB PHE 56 HB1 PHE 56 4.641 -0.621 1.701 460 HD1 PHE 56 HD1 PHE 56 6.675 0.769 -1.039 461 HD2 PHE 56 HD2 PHE 56 3.036 0.999 1.143 462 HE1 PHE 56 HE1 PHE 56 5.784 2.355 -2.696 463 HE2 PHE 56 HE2 PHE 56 2.137 2.578 -0.510 464 HZ PHE 56 HZ PHE 56 3.426 3.127 -2.502 465 H LYS 57 HN LYS 57 5.300 2.717 2.192 466 HA LYS 57 HA LYS 57 6.994 4.243 0.573 467 1HB LYS 57 HB2 LYS 57 5.126 5.029 2.811 468 2HB LYS 57 HB1 LYS 57 5.966 6.203 1.805 469 1HG LYS 57 HG2 LYS 57 4.159 4.076 0.695 470 2HG LYS 57 HG1 LYS 57 3.611 5.698 1.126 471 1HD LYS 57 HD2 LYS 57 5.922 5.245 -0.734 472 2HD LYS 57 HD1 LYS 57 4.254 5.259 -1.316 473 1HE LYS 57 HE2 LYS 57 5.603 7.491 0.200 474 2HE LYS 57 HE1 LYS 57 5.351 7.452 -1.544 475 1HZ LYS 57 HZ1 LYS 57 3.588 8.717 -0.736 476 2HZ LYS 57 HZ2 LYS 57 3.319 7.707 0.596 477 3HZ LYS 57 HZ3 LYS 57 2.892 7.184 -0.963 478 H ASN 58 HN ASN 58 7.139 3.378 3.914 479 HA ASN 58 HA ASN 58 8.877 5.342 4.877 480 1HB ASN 58 HB2 ASN 58 7.580 3.965 6.365 481 2HB ASN 58 HB1 ASN 58 8.338 2.500 5.744 482 1HD2 ASN 58 HD21 ASN 58 9.072 1.803 7.663 483 2HD2 ASN 58 HD22 ASN 58 10.329 2.598 8.566 484 H LYS 59 HN LYS 59 9.614 1.968 3.909 485 HA LYS 59 HA LYS 59 12.411 2.463 4.252 486 1HB LYS 59 HB2 LYS 59 12.748 0.231 4.006 487 2HB LYS 59 HB1 LYS 59 11.041 0.208 4.414 488 1HG LYS 59 HG2 LYS 59 11.726 0.374 1.546 489 2HG LYS 59 HG1 LYS 59 12.074 -1.144 2.372 490 1HD LYS 59 HD2 LYS 59 9.714 -1.144 3.189 491 2HD LYS 59 HD1 LYS 59 9.419 0.253 2.151 492 1HE LYS 59 HE2 LYS 59 8.759 -1.903 1.113 493 2HE LYS 59 HE1 LYS 59 9.966 -1.015 0.185 494 1HZ LYS 59 HZ1 LYS 59 10.669 -3.192 2.082 495 2HZ LYS 59 HZ2 LYS 59 11.666 -2.470 0.914 496 3HZ LYS 59 HZ3 LYS 59 10.375 -3.458 0.431 497 H LEU 60 HN LEU 60 10.207 2.681 1.575 498 HA LEU 60 HA LEU 60 12.213 2.779 -0.453 499 1HB LEU 60 HB2 LEU 60 9.333 3.553 -0.282 500 2HB LEU 60 HB1 LEU 60 10.288 4.089 -1.652 501 HG LEU 60 HG LEU 60 9.906 1.198 -0.855 502 1HD1 LEU 60 HD11 LEU 60 8.448 1.082 -2.804 503 2HD1 LEU 60 HD12 LEU 60 8.643 2.815 -3.070 504 3HD1 LEU 60 HD13 LEU 60 7.825 2.229 -1.619 505 1HD2 LEU 60 HD21 LEU 60 12.018 1.636 -2.009 506 2HD2 LEU 60 HD22 LEU 60 11.149 2.472 -3.297 507 3HD2 LEU 60 HD23 LEU 60 10.902 0.745 -3.043 508 H LEU 61 HN LEU 61 10.735 5.106 1.685 509 HA LEU 61 HA LEU 61 11.775 7.414 0.364 510 1HB LEU 61 HB2 LEU 61 9.745 7.447 1.759 511 2HB LEU 61 HB1 LEU 61 10.716 7.072 3.170 512 HG LEU 61 HG LEU 61 11.923 9.233 2.833 513 1HD1 LEU 61 HD11 LEU 61 10.913 10.913 1.387 514 2HD1 LEU 61 HD12 LEU 61 9.739 9.728 0.816 515 3HD1 LEU 61 HD13 LEU 61 11.452 9.518 0.452 516 1HD2 LEU 61 HD21 LEU 61 10.116 10.607 3.722 517 2HD2 LEU 61 HD22 LEU 61 10.116 9.003 4.454 518 3HD2 LEU 61 HD23 LEU 61 8.937 9.402 3.204 519 H SER 62 HN SER 62 12.666 5.600 3.279 520 HA SER 62 HA SER 62 14.927 7.271 3.836 521 1HB SER 62 HB2 SER 62 14.262 4.541 4.963 522 2HB SER 62 HB1 SER 62 15.349 5.739 5.667 523 HG SER 62 HG SER 62 12.682 5.522 5.917 524 H ARG 63 HN ARG 63 14.452 4.096 2.361 525 HA ARG 63 HA ARG 63 17.287 4.084 1.598 526 1HB ARG 63 HB2 ARG 63 15.446 1.720 2.008 527 2HB ARG 63 HB1 ARG 63 17.145 1.649 1.574 528 1HG ARG 63 HG2 ARG 63 17.760 2.627 3.702 529 2HG ARG 63 HG1 ARG 63 16.056 2.768 4.140 530 1HD ARG 63 HD2 ARG 63 15.858 0.303 3.940 531 2HD ARG 63 HD1 ARG 63 17.596 0.231 3.643 532 HE ARG 63 HE ARG 63 17.788 1.337 5.918 533 1HH1 ARG 63 HH11 ARG 63 15.154 -0.814 5.049 534 2HH1 ARG 63 HH12 ARG 63 14.815 -1.270 6.698 535 1HH2 ARG 63 HH21 ARG 63 17.360 0.722 8.071 536 2HH2 ARG 63 HH22 ARG 63 16.066 -0.388 8.415 537 H ALA 64 HN ALA 64 16.655 5.368 -0.232 538 HA ALA 64 HA ALA 64 14.618 4.806 -2.026 539 1HB ALA 64 HB1 ALA 64 17.258 6.119 -2.650 540 2HB ALA 64 HB2 ALA 64 15.860 6.925 -1.937 541 3HB ALA 64 HB3 ALA 64 15.764 6.274 -3.574 542 H ASN 65 HN ASN 65 14.396 2.747 -2.727 543 HA ASN 65 HA ASN 65 16.529 1.747 -4.494 544 1HB ASN 65 HB2 ASN 65 15.967 -0.535 -3.888 545 2HB ASN 65 HB1 ASN 65 16.354 0.370 -2.431 546 1HD2 ASN 65 HD21 ASN 65 14.669 0.930 -1.000 547 2HD2 ASN 65 HD22 ASN 65 13.167 0.067 -1.019 548 H GLY 66 HN GLY 66 13.923 3.332 -4.696 549 1HA GLY 66 HA2 GLY 66 13.058 2.146 -7.166 550 2HA GLY 66 HA1 GLY 66 11.844 2.085 -5.893 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -16.059 13.647 -4.639 2 2H MET 1 HT2 MET 1 -14.914 14.401 -3.638 3 3H MET 1 HT3 MET 1 -15.548 12.886 -3.210 4 HA MET 1 HA MET 1 -14.537 11.875 -5.131 5 1HB MET 1 HB2 MET 1 -14.554 13.821 -6.600 6 2HB MET 1 HB1 MET 1 -13.390 14.641 -5.569 7 1HG MET 1 HG2 MET 1 -12.310 13.762 -7.537 8 2HG MET 1 HG1 MET 1 -11.723 12.938 -6.094 9 1HE MET 1 HE1 MET 1 -14.019 12.679 -9.271 10 2HE MET 1 HE2 MET 1 -15.150 12.380 -7.951 11 3HE MET 1 HE3 MET 1 -14.732 11.079 -9.066 12 H GLN 2 HN GLN 2 -13.094 14.357 -3.030 13 HA GLN 2 HA GLN 2 -10.636 12.877 -2.784 14 1HB GLN 2 HB2 GLN 2 -11.559 15.264 -1.183 15 2HB GLN 2 HB1 GLN 2 -9.912 14.668 -1.330 16 1HG GLN 2 HG2 GLN 2 -9.993 15.186 -3.750 17 2HG GLN 2 HG1 GLN 2 -11.587 15.898 -3.505 18 1HE2 GLN 2 HE21 GLN 2 -11.006 17.939 -4.091 19 2HE2 GLN 2 HE22 GLN 2 -9.930 18.930 -3.162 20 H HIS 3 HN HIS 3 -10.075 11.468 -1.280 21 HA HIS 3 HA HIS 3 -11.772 11.198 1.113 22 1HB HIS 3 HB2 HIS 3 -10.314 9.099 -0.493 23 2HB HIS 3 HB1 HIS 3 -10.901 8.807 1.134 24 HD1 HIS 3 HD1 HIS 3 -13.253 8.016 1.342 25 HD2 HIS 3 HD2 HIS 3 -12.459 9.710 -2.374 26 HE1 HIS 3 HE1 HIS 3 -15.308 7.605 -0.048 27 HE2 HIS 3 HE2 HIS 3 -14.714 8.450 -2.353 28 H GLU 4 HN GLU 4 -10.757 11.742 2.943 29 HA GLU 4 HA GLU 4 -7.817 11.684 2.939 30 1HB GLU 4 HB2 GLU 4 -9.764 13.193 4.688 31 2HB GLU 4 HB1 GLU 4 -8.034 13.128 4.994 32 1HG GLU 4 HG2 GLU 4 -7.697 14.092 2.702 33 2HG GLU 4 HG1 GLU 4 -9.440 14.349 2.638 34 H LEU 5 HN LEU 5 -7.113 9.812 3.637 35 HA LEU 5 HA LEU 5 -8.530 8.524 5.846 36 1HB LEU 5 HB2 LEU 5 -7.081 6.515 5.126 37 2HB LEU 5 HB1 LEU 5 -8.477 6.956 4.171 38 HG LEU 5 HG LEU 5 -7.033 7.995 2.493 39 1HD1 LEU 5 HD11 LEU 5 -4.603 7.747 2.599 40 2HD1 LEU 5 HD12 LEU 5 -4.744 7.086 4.230 41 3HD1 LEU 5 HD13 LEU 5 -5.213 8.757 3.912 42 1HD2 LEU 5 HD21 LEU 5 -7.570 5.677 2.183 43 2HD2 LEU 5 HD22 LEU 5 -6.278 5.183 3.277 44 3HD2 LEU 5 HD23 LEU 5 -5.882 5.922 1.726 45 H GLN 6 HN GLN 6 -7.186 7.273 7.340 46 HA GLN 6 HA GLN 6 -4.638 8.609 7.948 47 1HB GLN 6 HB2 GLN 6 -5.113 8.362 10.292 48 2HB GLN 6 HB1 GLN 6 -6.488 9.148 9.538 49 1HG GLN 6 HG2 GLN 6 -7.683 7.013 9.516 50 2HG GLN 6 HG1 GLN 6 -6.307 6.250 10.314 51 1HE2 GLN 6 HE21 GLN 6 -5.733 6.976 12.407 52 2HE2 GLN 6 HE22 GLN 6 -6.928 7.652 13.461 53 HA PRO 7 HA PRO 7 -2.084 4.974 8.079 54 1HB PRO 7 HB2 PRO 7 -2.814 4.764 10.981 55 2HB PRO 7 HB1 PRO 7 -1.255 4.470 10.195 56 1HG PRO 7 HG2 PRO 7 -1.845 6.822 11.397 57 2HG PRO 7 HG1 PRO 7 -0.785 6.711 9.984 58 1HD PRO 7 HD2 PRO 7 -3.428 7.903 10.194 59 2HD PRO 7 HD1 PRO 7 -2.276 7.985 8.850 60 H ASP 8 HN ASP 8 -4.951 4.422 10.204 61 HA ASP 8 HA ASP 8 -5.172 1.793 8.916 62 1HB ASP 8 HB2 ASP 8 -5.156 1.850 11.415 63 2HB ASP 8 HB1 ASP 8 -6.662 2.765 11.362 64 H SER 9 HN SER 9 -6.267 1.962 7.120 65 HA SER 9 HA SER 9 -9.014 2.614 7.071 66 1HB SER 9 HB2 SER 9 -7.899 4.921 7.126 67 2HB SER 9 HB1 SER 9 -7.279 4.546 5.520 68 HG SER 9 HG SER 9 -9.888 5.071 6.359 69 H LEU 10 HN LEU 10 -9.729 2.695 4.634 70 HA LEU 10 HA LEU 10 -8.317 0.441 3.415 71 1HB LEU 10 HB2 LEU 10 -10.438 -0.102 2.319 72 2HB LEU 10 HB1 LEU 10 -10.574 -0.090 4.062 73 HG LEU 10 HG LEU 10 -11.456 2.241 2.361 74 1HD1 LEU 10 HD11 LEU 10 -13.729 1.347 2.577 75 2HD1 LEU 10 HD12 LEU 10 -13.072 -0.115 3.314 76 3HD1 LEU 10 HD13 LEU 10 -12.682 0.282 1.641 77 1HD2 LEU 10 HD21 LEU 10 -12.206 1.381 5.159 78 2HD2 LEU 10 HD22 LEU 10 -12.806 2.806 4.310 79 3HD2 LEU 10 HD23 LEU 10 -11.103 2.695 4.753 80 H VAL 11 HN VAL 11 -7.069 0.940 1.840 81 HA VAL 11 HA VAL 11 -7.740 3.093 -0.038 82 HB VAL 11 HB VAL 11 -5.454 3.131 -0.670 83 1HG1 VAL 11 HG11 VAL 11 -4.204 3.320 1.439 84 2HG1 VAL 11 HG12 VAL 11 -5.561 2.568 2.281 85 3HG1 VAL 11 HG13 VAL 11 -5.769 4.132 1.492 86 1HG2 VAL 11 HG21 VAL 11 -5.155 0.731 -0.959 87 2HG2 VAL 11 HG22 VAL 11 -5.089 0.529 0.793 88 3HG2 VAL 11 HG23 VAL 11 -3.826 1.437 -0.038 89 H ASP 12 HN ASP 12 -7.250 2.576 -2.376 90 HA ASP 12 HA ASP 12 -7.922 -0.225 -2.958 91 1HB ASP 12 HB2 ASP 12 -8.664 2.293 -4.452 92 2HB ASP 12 HB1 ASP 12 -8.796 0.693 -5.173 93 H LEU 13 HN LEU 13 -7.138 -1.035 -5.078 94 HA LEU 13 HA LEU 13 -4.348 -0.836 -5.226 95 1HB LEU 13 HB2 LEU 13 -6.402 -1.938 -7.122 96 2HB LEU 13 HB1 LEU 13 -4.700 -1.935 -7.532 97 HG LEU 13 HG LEU 13 -4.281 -3.281 -5.445 98 1HD1 LEU 13 HD11 LEU 13 -6.300 -2.741 -4.215 99 2HD1 LEU 13 HD12 LEU 13 -6.184 -4.481 -4.475 100 3HD1 LEU 13 HD13 LEU 13 -7.286 -3.513 -5.454 101 1HD2 LEU 13 HD21 LEU 13 -6.091 -4.470 -7.542 102 2HD2 LEU 13 HD22 LEU 13 -5.043 -5.375 -6.450 103 3HD2 LEU 13 HD23 LEU 13 -4.339 -4.295 -7.651 104 H LYS 14 HN LYS 14 -6.885 0.701 -7.103 105 HA LYS 14 HA LYS 14 -5.373 1.978 -9.062 106 1HB LYS 14 HB2 LYS 14 -7.914 1.806 -8.818 107 2HB LYS 14 HB1 LYS 14 -7.790 3.136 -7.669 108 1HG LYS 14 HG2 LYS 14 -6.684 3.414 -10.437 109 2HG LYS 14 HG1 LYS 14 -8.407 3.630 -10.132 110 1HD LYS 14 HD2 LYS 14 -7.903 5.373 -8.501 111 2HD LYS 14 HD1 LYS 14 -6.177 5.138 -8.772 112 1HE LYS 14 HE2 LYS 14 -8.144 5.976 -10.898 113 2HE LYS 14 HE1 LYS 14 -7.134 7.091 -9.981 114 1HZ LYS 14 HZ1 LYS 14 -6.109 4.904 -11.719 115 2HZ LYS 14 HZ2 LYS 14 -5.175 6.048 -10.887 116 3HZ LYS 14 HZ3 LYS 14 -6.191 6.544 -12.155 117 H PHE 15 HN PHE 15 -6.377 3.029 -5.860 118 HA PHE 15 HA PHE 15 -5.158 5.538 -5.845 119 1HB PHE 15 HB2 PHE 15 -6.852 4.976 -4.255 120 2HB PHE 15 HB1 PHE 15 -5.908 3.637 -3.636 121 HD1 PHE 15 HD1 PHE 15 -5.871 7.333 -3.997 122 HD2 PHE 15 HD2 PHE 15 -4.529 3.958 -1.782 123 HE1 PHE 15 HE1 PHE 15 -4.910 8.832 -2.300 124 HE2 PHE 15 HE2 PHE 15 -3.567 5.455 -0.080 125 HZ PHE 15 HZ PHE 15 -3.757 7.893 -0.340 126 H ILE 16 HN ILE 16 -3.974 2.378 -4.641 127 HA ILE 16 HA ILE 16 -1.517 3.148 -3.659 128 HB ILE 16 HB ILE 16 -1.621 0.677 -5.355 129 1HG1 ILE 16 HG12 ILE 16 -2.760 0.919 -2.559 130 2HG1 ILE 16 HG11 ILE 16 -3.714 0.687 -4.020 131 1HG2 ILE 16 HG21 ILE 16 0.483 1.254 -4.339 132 2HG2 ILE 16 HG22 ILE 16 -0.181 -0.145 -3.497 133 3HG2 ILE 16 HG23 ILE 16 -0.286 1.453 -2.765 134 1HD1 ILE 16 HD11 ILE 16 -1.677 -1.237 -2.920 135 2HD1 ILE 16 HD12 ILE 16 -2.631 -1.476 -4.384 136 3HD1 ILE 16 HD13 ILE 16 -3.429 -1.402 -2.811 137 H MET 17 HN MET 17 -2.431 2.581 -7.026 138 HA MET 17 HA MET 17 0.100 2.741 -8.188 139 1HB MET 17 HB2 MET 17 -2.567 3.621 -9.310 140 2HB MET 17 HB1 MET 17 -1.095 3.454 -10.257 141 1HG MET 17 HG2 MET 17 -1.024 1.079 -9.766 142 2HG MET 17 HG1 MET 17 -2.462 1.231 -8.757 143 1HE MET 17 HE1 MET 17 -2.235 -0.908 -11.075 144 2HE MET 17 HE2 MET 17 -3.822 -0.747 -11.830 145 3HE MET 17 HE3 MET 17 -3.673 -0.698 -10.075 146 H ALA 18 HN ALA 18 -2.159 5.310 -7.300 147 HA ALA 18 HA ALA 18 -0.550 7.432 -8.333 148 1HB ALA 18 HB1 ALA 18 -2.051 8.908 -7.115 149 2HB ALA 18 HB2 ALA 18 -2.723 7.530 -6.241 150 3HB ALA 18 HB3 ALA 18 -2.966 7.676 -7.982 151 H ASP 19 HN ASP 19 -0.993 5.947 -5.168 152 HA ASP 19 HA ASP 19 0.639 7.746 -3.709 153 1HB ASP 19 HB2 ASP 19 -1.083 6.339 -2.666 154 2HB ASP 19 HB1 ASP 19 -0.162 4.899 -3.078 155 H THR 20 HN THR 20 1.356 4.987 -5.671 156 HA THR 20 HA THR 20 4.095 4.828 -4.644 157 HB THR 20 HB THR 20 4.296 2.849 -6.169 158 HG1 THR 20 HG1 THR 20 1.481 2.976 -6.459 159 1HG2 THR 20 HG21 THR 20 3.738 2.412 -3.878 160 2HG2 THR 20 HG22 THR 20 2.744 1.369 -4.892 161 3HG2 THR 20 HG23 THR 20 2.046 2.815 -4.163 162 H GLY 21 HN GLY 21 2.335 5.234 -7.694 163 1HA GLY 21 HA2 GLY 21 3.007 6.561 -9.529 164 2HA GLY 21 HA1 GLY 21 4.640 6.607 -8.868 165 H PHE 22 HN PHE 22 3.421 3.529 -8.594 166 HA PHE 22 HA PHE 22 4.785 2.677 -11.056 167 1HB PHE 22 HB2 PHE 22 5.102 1.436 -8.314 168 2HB PHE 22 HB1 PHE 22 5.857 0.864 -9.799 169 HD1 PHE 22 HD1 PHE 22 6.169 2.991 -6.972 170 HD2 PHE 22 HD2 PHE 22 7.452 2.479 -10.996 171 HE1 PHE 22 HE1 PHE 22 8.092 4.461 -6.540 172 HE2 PHE 22 HE2 PHE 22 9.379 3.947 -10.572 173 HZ PHE 22 HZ PHE 22 9.701 4.941 -8.342 174 H GLY 23 HN GLY 23 4.493 0.019 -10.984 175 1HA GLY 23 HA2 GLY 23 1.577 -0.235 -11.220 176 2HA GLY 23 HA1 GLY 23 2.768 -1.250 -12.017 177 H LYS 24 HN LYS 24 0.855 -2.627 -10.999 178 HA LYS 24 HA LYS 24 0.552 -3.259 -8.364 179 1HB LYS 24 HB2 LYS 24 0.656 -5.261 -10.624 180 2HB LYS 24 HB1 LYS 24 -0.103 -5.511 -9.059 181 1HG LYS 24 HG2 LYS 24 -1.676 -3.694 -9.561 182 2HG LYS 24 HG1 LYS 24 -0.935 -3.530 -11.156 183 1HD LYS 24 HD2 LYS 24 -2.207 -6.053 -10.099 184 2HD LYS 24 HD1 LYS 24 -2.998 -4.907 -11.183 185 1HE LYS 24 HE2 LYS 24 -1.450 -5.360 -12.929 186 2HE LYS 24 HE1 LYS 24 -0.388 -6.253 -11.840 187 1HZ LYS 24 HZ1 LYS 24 -1.803 -7.632 -13.359 188 2HZ LYS 24 HZ2 LYS 24 -3.153 -7.130 -12.457 189 3HZ LYS 24 HZ3 LYS 24 -1.913 -8.019 -11.713 190 H THR 25 HN THR 25 2.983 -4.652 -10.535 191 HA THR 25 HA THR 25 3.964 -6.604 -8.844 192 HB THR 25 HB THR 25 4.583 -6.577 -11.174 193 HG1 THR 25 HG1 THR 25 6.325 -7.602 -10.601 194 1HG2 THR 25 HG21 THR 25 6.188 -4.095 -10.557 195 2HG2 THR 25 HG22 THR 25 4.735 -4.177 -11.552 196 3HG2 THR 25 HG23 THR 25 6.212 -4.978 -12.085 197 H PHE 26 HN PHE 26 5.101 -3.224 -9.112 198 HA PHE 26 HA PHE 26 7.137 -3.467 -7.183 199 1HB PHE 26 HB2 PHE 26 7.327 -1.563 -8.520 200 2HB PHE 26 HB1 PHE 26 5.622 -1.158 -8.365 201 HD1 PHE 26 HD1 PHE 26 4.817 0.131 -6.571 202 HD2 PHE 26 HD2 PHE 26 8.901 -1.044 -6.686 203 HE1 PHE 26 HE1 PHE 26 5.320 1.730 -4.778 204 HE2 PHE 26 HE2 PHE 26 9.415 0.558 -4.880 205 HZ PHE 26 HZ PHE 26 7.616 1.946 -3.926 206 H ILE 27 HN ILE 27 3.739 -2.548 -7.002 207 HA ILE 27 HA ILE 27 3.642 -1.695 -4.354 208 HB ILE 27 HB ILE 27 1.488 -3.122 -5.918 209 1HG1 ILE 27 HG12 ILE 27 1.897 -0.153 -5.534 210 2HG1 ILE 27 HG11 ILE 27 2.456 -1.033 -6.952 211 1HG2 ILE 27 HG21 ILE 27 -0.065 -1.977 -4.374 212 2HG2 ILE 27 HG22 ILE 27 1.320 -1.414 -3.435 213 3HG2 ILE 27 HG23 ILE 27 0.979 -3.140 -3.559 214 1HD1 ILE 27 HD11 ILE 27 -0.396 -0.716 -6.048 215 2HD1 ILE 27 HD12 ILE 27 0.131 -1.684 -7.424 216 3HD1 ILE 27 HD13 ILE 27 0.374 0.063 -7.430 217 H TYR 28 HN TYR 28 2.686 -4.899 -5.599 218 HA TYR 28 HA TYR 28 2.130 -5.985 -3.086 219 1HB TYR 28 HB2 TYR 28 2.903 -7.300 -5.696 220 2HB TYR 28 HB1 TYR 28 2.438 -8.218 -4.271 221 HD1 TYR 28 HD1 TYR 28 1.088 -5.194 -5.998 222 HD2 TYR 28 HD2 TYR 28 0.284 -9.088 -4.473 223 HE1 TYR 28 HE1 TYR 28 -1.267 -4.953 -6.634 224 HE2 TYR 28 HE2 TYR 28 -2.075 -8.855 -5.120 225 HH TYR 28 HH TYR 28 -3.186 -6.243 -7.093 226 H ASP 29 HN ASP 29 5.126 -6.039 -4.991 227 HA ASP 29 HA ASP 29 6.572 -7.670 -3.170 228 1HB ASP 29 HB2 ASP 29 7.357 -7.409 -5.444 229 2HB ASP 29 HB1 ASP 29 7.536 -5.672 -5.225 230 H ARG 30 HN ARG 30 6.504 -4.156 -3.656 231 HA ARG 30 HA ARG 30 8.432 -3.562 -1.690 232 1HB ARG 30 HB2 ARG 30 7.783 -2.058 -3.556 233 2HB ARG 30 HB1 ARG 30 6.252 -1.764 -2.746 234 1HG ARG 30 HG2 ARG 30 7.493 0.066 -2.131 235 2HG ARG 30 HG1 ARG 30 7.723 -1.016 -0.758 236 1HD ARG 30 HD2 ARG 30 9.637 -0.703 -3.067 237 2HD ARG 30 HD1 ARG 30 9.806 0.073 -1.493 238 HE ARG 30 HE ARG 30 9.749 -2.404 -0.712 239 1HH1 ARG 30 HH11 ARG 30 11.356 -1.134 -3.539 240 2HH1 ARG 30 HH12 ARG 30 12.621 -2.325 -3.517 241 1HH2 ARG 30 HH21 ARG 30 11.404 -4.010 -0.702 242 2HH2 ARG 30 HH22 ARG 30 12.624 -3.972 -1.935 243 H ILE 31 HN ILE 31 4.896 -3.712 -1.550 244 HA ILE 31 HA ILE 31 4.790 -2.578 1.073 245 HB ILE 31 HB ILE 31 2.725 -3.847 -0.708 246 1HG1 ILE 31 HG12 ILE 31 1.643 -1.592 -0.289 247 2HG1 ILE 31 HG11 ILE 31 3.101 -1.125 0.591 248 1HG2 ILE 31 HG21 ILE 31 2.266 -2.992 2.152 249 2HG2 ILE 31 HG22 ILE 31 2.264 -4.659 1.570 250 3HG2 ILE 31 HG23 ILE 31 1.034 -3.525 1.009 251 1HD1 ILE 31 HD11 ILE 31 2.970 -1.899 -2.314 252 2HD1 ILE 31 HD12 ILE 31 4.412 -1.403 -1.430 253 3HD1 ILE 31 HD13 ILE 31 3.093 -0.257 -1.675 254 H LYS 32 HN LYS 32 4.619 -5.912 -0.198 255 HA LYS 32 HA LYS 32 4.447 -7.211 2.280 256 1HB LYS 32 HB2 LYS 32 5.600 -7.951 -0.369 257 2HB LYS 32 HB1 LYS 32 5.920 -8.982 1.021 258 1HG LYS 32 HG2 LYS 32 3.580 -9.368 1.353 259 2HG LYS 32 HG1 LYS 32 3.166 -8.187 0.106 260 1HD LYS 32 HD2 LYS 32 4.068 -9.548 -1.604 261 2HD LYS 32 HD1 LYS 32 4.835 -10.621 -0.434 262 1HE LYS 32 HE2 LYS 32 1.851 -10.274 -0.650 263 2HE LYS 32 HE1 LYS 32 2.745 -11.510 -1.534 264 1HZ LYS 32 HZ1 LYS 32 2.641 -11.224 1.426 265 2HZ LYS 32 HZ2 LYS 32 3.533 -12.392 0.586 266 3HZ LYS 32 HZ3 LYS 32 1.837 -12.403 0.513 267 H SER 33 HN SER 33 7.140 -5.887 0.513 268 HA SER 33 HA SER 33 9.206 -6.639 2.286 269 1HB SER 33 HB2 SER 33 9.730 -6.047 0.028 270 2HB SER 33 HB1 SER 33 8.925 -4.488 0.190 271 HG SER 33 HG SER 33 11.412 -5.340 1.235 272 H GLY 34 HN GLY 34 6.799 -4.185 2.407 273 1HA GLY 34 HA2 GLY 34 8.166 -2.292 4.030 274 2HA GLY 34 HA1 GLY 34 6.423 -2.410 3.817 275 H ASP 35 HN ASP 35 5.445 -4.380 4.951 276 HA ASP 35 HA ASP 35 6.834 -5.408 7.248 277 1HB ASP 35 HB2 ASP 35 6.124 -3.069 7.951 278 2HB ASP 35 HB1 ASP 35 4.459 -3.626 7.828 279 H LEU 36 HN LEU 36 5.367 -6.348 4.909 280 HA LEU 36 HA LEU 36 3.794 -7.831 4.236 281 1HB LEU 36 HB2 LEU 36 3.707 -8.570 7.160 282 2HB LEU 36 HB1 LEU 36 3.002 -9.507 5.858 283 HG LEU 36 HG LEU 36 5.944 -8.974 6.282 284 1HD1 LEU 36 HD11 LEU 36 6.056 -11.394 6.673 285 2HD1 LEU 36 HD12 LEU 36 4.301 -11.490 6.529 286 3HD1 LEU 36 HD13 LEU 36 5.028 -10.582 7.855 287 1HD2 LEU 36 HD21 LEU 36 4.559 -10.584 4.139 288 2HD2 LEU 36 HD22 LEU 36 6.300 -10.501 4.403 289 3HD2 LEU 36 HD23 LEU 36 5.416 -9.058 3.903 290 HA PRO 37 HA PRO 37 0.471 -4.893 4.676 291 1HB PRO 37 HB2 PRO 37 -1.217 -6.274 2.926 292 2HB PRO 37 HB1 PRO 37 -0.075 -5.003 2.487 293 1HG PRO 37 HG2 PRO 37 0.211 -7.959 2.297 294 2HG PRO 37 HG1 PRO 37 0.837 -6.693 1.224 295 1HD PRO 37 HD2 PRO 37 2.424 -7.987 2.954 296 2HD PRO 37 HD1 PRO 37 2.659 -6.266 2.584 297 H LYS 38 HN LYS 38 -1.022 -4.738 6.130 298 HA LYS 38 HA LYS 38 -2.211 -7.121 7.298 299 1HB LYS 38 HB2 LYS 38 -2.510 -4.212 8.079 300 2HB LYS 38 HB1 LYS 38 -3.201 -5.567 8.955 301 1HG LYS 38 HG2 LYS 38 -1.265 -4.910 10.134 302 2HG LYS 38 HG1 LYS 38 -0.851 -6.406 9.294 303 1HD LYS 38 HD2 LYS 38 0.232 -5.136 7.535 304 2HD LYS 38 HD1 LYS 38 -0.202 -3.621 8.334 305 1HE LYS 38 HE2 LYS 38 2.070 -4.058 8.870 306 2HE LYS 38 HE1 LYS 38 1.125 -4.404 10.316 307 1HZ LYS 38 HZ1 LYS 38 1.249 -6.749 9.809 308 2HZ LYS 38 HZ2 LYS 38 2.809 -6.088 9.880 309 3HZ LYS 38 HZ3 LYS 38 2.101 -6.428 8.380 310 H ALA 39 HN ALA 39 -2.793 -5.007 4.832 311 HA ALA 39 HA ALA 39 -5.406 -4.503 4.509 312 1HB ALA 39 HB1 ALA 39 -3.671 -4.101 2.831 313 2HB ALA 39 HB2 ALA 39 -5.094 -4.879 2.135 314 3HB ALA 39 HB3 ALA 39 -3.643 -5.827 2.462 315 H LYS 40 HN LYS 40 -7.132 -5.595 3.376 316 HA LYS 40 HA LYS 40 -7.318 -8.379 4.282 317 1HB LYS 40 HB2 LYS 40 -9.474 -6.345 3.657 318 2HB LYS 40 HB1 LYS 40 -9.796 -8.026 4.054 319 1HG LYS 40 HG2 LYS 40 -10.154 -6.772 6.026 320 2HG LYS 40 HG1 LYS 40 -8.634 -7.638 6.241 321 1HD LYS 40 HD2 LYS 40 -7.446 -5.541 5.514 322 2HD LYS 40 HD1 LYS 40 -9.008 -4.717 5.584 323 1HE LYS 40 HE2 LYS 40 -7.801 -4.336 7.638 324 2HE LYS 40 HE1 LYS 40 -9.199 -5.362 7.965 325 1HZ LYS 40 HZ1 LYS 40 -7.176 -6.139 9.084 326 2HZ LYS 40 HZ2 LYS 40 -6.421 -6.350 7.580 327 3HZ LYS 40 HZ3 LYS 40 -7.774 -7.287 7.989 328 H VAL 41 HN VAL 41 -6.170 -9.132 2.503 329 HA VAL 41 HA VAL 41 -7.566 -8.968 -0.073 330 HB VAL 41 HB VAL 41 -5.413 -7.836 -0.075 331 1HG1 VAL 41 HG11 VAL 41 -3.313 -9.054 0.232 332 2HG1 VAL 41 HG12 VAL 41 -4.228 -10.483 0.714 333 3HG1 VAL 41 HG13 VAL 41 -4.288 -9.022 1.703 334 1HG2 VAL 41 HG21 VAL 41 -6.105 -8.889 -2.131 335 2HG2 VAL 41 HG22 VAL 41 -5.390 -10.418 -1.621 336 3HG2 VAL 41 HG23 VAL 41 -4.357 -9.029 -1.956 337 H ILE 42 HN ILE 42 -8.250 -10.844 -0.921 338 HA ILE 42 HA ILE 42 -6.988 -13.312 0.006 339 HB ILE 42 HB ILE 42 -9.067 -13.040 1.234 340 1HG1 ILE 42 HG12 ILE 42 -10.156 -15.185 0.606 341 2HG1 ILE 42 HG11 ILE 42 -9.192 -15.211 -0.867 342 1HG2 ILE 42 HG21 ILE 42 -11.234 -13.095 0.087 343 2HG2 ILE 42 HG22 ILE 42 -10.397 -12.968 -1.460 344 3HG2 ILE 42 HG23 ILE 42 -10.299 -11.649 -0.294 345 1HD1 ILE 42 HD11 ILE 42 -8.237 -16.655 0.827 346 2HD1 ILE 42 HD12 ILE 42 -8.129 -15.296 1.947 347 3HD1 ILE 42 HD13 ILE 42 -7.154 -15.307 0.477 348 H HIS 43 HN HIS 43 -8.690 -11.621 -2.530 349 HA HIS 43 HA HIS 43 -8.257 -13.863 -4.378 350 1HB HIS 43 HB2 HIS 43 -9.802 -11.283 -4.687 351 2HB HIS 43 HB1 HIS 43 -9.571 -12.443 -5.989 352 HD1 HIS 43 HD1 HIS 43 -12.363 -11.984 -5.502 353 HD2 HIS 43 HD2 HIS 43 -10.236 -14.664 -3.128 354 HE1 HIS 43 HE1 HIS 43 -14.086 -13.515 -4.490 355 HE2 HIS 43 HE2 HIS 43 -12.797 -15.047 -2.966 356 H GLY 44 HN GLY 44 -6.078 -12.127 -3.327 357 1HA GLY 44 HA2 GLY 44 -4.100 -11.323 -4.254 358 2HA GLY 44 HA1 GLY 44 -4.835 -11.439 -5.850 359 H ARG 45 HN ARG 45 -7.196 -9.966 -4.901 360 HA ARG 45 HA ARG 45 -6.169 -7.301 -4.316 361 1HB ARG 45 HB2 ARG 45 -7.667 -6.400 -6.157 362 2HB ARG 45 HB1 ARG 45 -6.222 -7.242 -6.704 363 1HG ARG 45 HG2 ARG 45 -7.489 -9.196 -7.246 364 2HG ARG 45 HG1 ARG 45 -8.943 -8.513 -6.520 365 1HD ARG 45 HD2 ARG 45 -7.496 -7.336 -8.886 366 2HD ARG 45 HD1 ARG 45 -8.902 -8.393 -9.000 367 HE ARG 45 HE ARG 45 -9.185 -5.969 -7.403 368 1HH1 ARG 45 HH11 ARG 45 -9.852 -7.697 -10.373 369 2HH1 ARG 45 HH12 ARG 45 -11.066 -6.568 -10.903 370 1HH2 ARG 45 HH21 ARG 45 -10.802 -4.522 -8.059 371 2HH2 ARG 45 HH22 ARG 45 -11.640 -4.781 -9.567 372 H ALA 46 HN ALA 46 -7.626 -6.105 -3.104 373 HA ALA 46 HA ALA 46 -10.420 -6.560 -3.113 374 1HB ALA 46 HB1 ALA 46 -9.000 -7.519 -0.629 375 2HB ALA 46 HB2 ALA 46 -9.779 -8.555 -1.828 376 3HB ALA 46 HB3 ALA 46 -10.745 -7.428 -0.876 377 H ARG 47 HN ARG 47 -8.867 -5.871 -0.072 378 HA ARG 47 HA ARG 47 -9.133 -2.977 -0.539 379 1HB ARG 47 HB2 ARG 47 -10.229 -4.535 1.815 380 2HB ARG 47 HB1 ARG 47 -10.064 -2.785 1.793 381 1HG ARG 47 HG2 ARG 47 -11.677 -2.578 0.052 382 2HG ARG 47 HG1 ARG 47 -11.705 -4.325 -0.205 383 1HD ARG 47 HD2 ARG 47 -12.539 -2.963 2.354 384 2HD ARG 47 HD1 ARG 47 -13.655 -3.459 1.080 385 HE ARG 47 HE ARG 47 -12.666 -5.780 1.503 386 1HH1 ARG 47 HH11 ARG 47 -13.065 -3.335 3.977 387 2HH1 ARG 47 HH12 ARG 47 -13.237 -4.474 5.272 388 1HH2 ARG 47 HH21 ARG 47 -12.872 -7.307 3.211 389 2HH2 ARG 47 HH22 ARG 47 -13.080 -6.738 4.845 390 H TRP 48 HN TRP 48 -7.327 -1.956 0.043 391 HA TRP 48 HA TRP 48 -5.361 -3.516 1.570 392 1HB TRP 48 HB2 TRP 48 -5.091 -2.475 -0.901 393 2HB TRP 48 HB1 TRP 48 -4.532 -1.103 0.050 394 HD1 TRP 48 HD1 TRP 48 -2.523 -1.848 1.941 395 HE1 TRP 48 HE1 TRP 48 -0.495 -3.363 1.510 396 HE3 TRP 48 HE3 TRP 48 -4.193 -4.257 -2.241 397 HZ2 TRP 48 HZ2 TRP 48 0.306 -5.314 -0.373 398 HZ3 TRP 48 HZ3 TRP 48 -2.735 -5.928 -3.301 399 HH2 TRP 48 HH2 TRP 48 -0.529 -6.445 -2.384 400 H LEU 49 HN LEU 49 -4.276 -2.574 3.334 401 HA LEU 49 HA LEU 49 -5.664 -0.330 4.516 402 1HB LEU 49 HB2 LEU 49 -3.537 -2.200 5.521 403 2HB LEU 49 HB1 LEU 49 -4.129 -0.843 6.447 404 HG LEU 49 HG LEU 49 -5.713 -3.252 5.571 405 1HD1 LEU 49 HD11 LEU 49 -5.952 -3.630 7.977 406 2HD1 LEU 49 HD12 LEU 49 -4.916 -2.236 8.293 407 3HD1 LEU 49 HD13 LEU 49 -4.261 -3.656 7.473 408 1HD2 LEU 49 HD21 LEU 49 -7.591 -2.265 6.795 409 2HD2 LEU 49 HD22 LEU 49 -7.114 -1.265 5.421 410 3HD2 LEU 49 HD23 LEU 49 -6.646 -0.798 7.057 411 H TYR 50 HN TYR 50 -4.793 1.655 4.884 412 HA TYR 50 HA TYR 50 -2.745 2.523 3.165 413 1HB TYR 50 HB2 TYR 50 -4.556 3.997 4.059 414 2HB TYR 50 HB1 TYR 50 -3.747 3.974 5.625 415 HD1 TYR 50 HD1 TYR 50 -3.284 4.926 2.064 416 HD2 TYR 50 HD2 TYR 50 -1.980 5.463 6.083 417 HE1 TYR 50 HE1 TYR 50 -1.840 6.787 1.346 418 HE2 TYR 50 HE2 TYR 50 -0.546 7.333 5.375 419 HH TYR 50 HH TYR 50 -0.662 8.611 2.105 420 H ARG 51 HN ARG 51 -2.753 1.527 6.529 421 HA ARG 51 HA ARG 51 -0.290 2.303 7.429 422 1HB ARG 51 HB2 ARG 51 -0.346 0.462 8.958 423 2HB ARG 51 HB1 ARG 51 -1.986 1.059 8.745 424 1HG ARG 51 HG2 ARG 51 -2.588 -0.779 7.402 425 2HG ARG 51 HG1 ARG 51 -0.904 -1.282 7.211 426 1HD ARG 51 HD2 ARG 51 -1.860 -2.749 8.790 427 2HD ARG 51 HD1 ARG 51 -0.857 -1.629 9.704 428 HE ARG 51 HE ARG 51 -3.663 -0.938 9.492 429 1HH1 ARG 51 HH11 ARG 51 -1.119 -2.399 11.399 430 2HH1 ARG 51 HH12 ARG 51 -2.048 -2.403 12.863 431 1HH2 ARG 51 HH21 ARG 51 -4.889 -0.926 11.421 432 2HH2 ARG 51 HH22 ARG 51 -4.174 -1.547 12.887 433 H ASP 52 HN ASP 52 -1.012 -0.447 5.338 434 HA ASP 52 HA ASP 52 1.557 -1.570 5.291 435 1HB ASP 52 HB2 ASP 52 -0.469 -1.601 3.048 436 2HB ASP 52 HB1 ASP 52 0.809 -2.777 3.343 437 H HIS 53 HN HIS 53 0.045 0.993 3.482 438 HA HIS 53 HA HIS 53 2.211 1.409 1.663 439 1HB HIS 53 HB2 HIS 53 0.006 3.290 2.551 440 2HB HIS 53 HB1 HIS 53 1.138 3.622 1.249 441 HD1 HIS 53 HD1 HIS 53 -0.903 3.839 -0.353 442 HD2 HIS 53 HD2 HIS 53 -0.353 0.051 1.276 443 HE1 HIS 53 HE1 HIS 53 -2.471 2.309 -1.621 444 HE2 HIS 53 HE2 HIS 53 -2.141 0.041 -0.582 445 H CYS 54 HN CYS 54 1.219 2.691 4.781 446 HA CYS 54 HA CYS 54 3.046 4.760 5.058 447 1HB CYS 54 HB2 CYS 54 1.194 4.342 6.627 448 2HB CYS 54 HB1 CYS 54 2.013 2.899 7.212 449 HG CYS 54 HG CYS 54 3.804 4.069 8.744 450 H GLU 55 HN GLU 55 3.421 1.302 5.796 451 HA GLU 55 HA GLU 55 6.050 1.515 6.814 452 1HB GLU 55 HB2 GLU 55 4.624 -0.847 5.580 453 2HB GLU 55 HB1 GLU 55 6.155 -0.933 6.445 454 1HG GLU 55 HG2 GLU 55 3.498 -0.098 7.589 455 2HG GLU 55 HG1 GLU 55 4.338 -1.622 7.873 456 H PHE 56 HN PHE 56 4.815 0.617 3.580 457 HA PHE 56 HA PHE 56 7.386 0.151 2.528 458 1HB PHE 56 HB2 PHE 56 6.317 -0.503 0.650 459 2HB PHE 56 HB1 PHE 56 4.865 -0.342 1.627 460 HD1 PHE 56 HD1 PHE 56 7.007 1.512 -0.778 461 HD2 PHE 56 HD2 PHE 56 3.158 1.049 0.962 462 HE1 PHE 56 HE1 PHE 56 6.094 3.108 -2.402 463 HE2 PHE 56 HE2 PHE 56 2.233 2.655 -0.657 464 HZ PHE 56 HZ PHE 56 3.701 3.692 -2.334 465 H LYS 57 HN LYS 57 5.278 3.005 2.312 466 HA LYS 57 HA LYS 57 6.998 4.685 0.876 467 1HB LYS 57 HB2 LYS 57 4.887 5.284 2.948 468 2HB LYS 57 HB1 LYS 57 5.720 6.539 2.037 469 1HG LYS 57 HG2 LYS 57 4.231 4.295 0.715 470 2HG LYS 57 HG1 LYS 57 3.462 5.821 1.165 471 1HD LYS 57 HD2 LYS 57 5.940 5.686 -0.526 472 2HD LYS 57 HD1 LYS 57 4.318 5.629 -1.222 473 1HE LYS 57 HE2 LYS 57 5.482 7.839 0.465 474 2HE LYS 57 HE1 LYS 57 5.197 7.893 -1.273 475 1HZ LYS 57 HZ1 LYS 57 3.444 9.032 -0.092 476 2HZ LYS 57 HZ2 LYS 57 3.115 7.654 0.831 477 3HZ LYS 57 HZ3 LYS 57 2.806 7.643 -0.833 478 H ASN 58 HN ASN 58 6.938 3.720 4.180 479 HA ASN 58 HA ASN 58 8.418 5.761 5.374 480 1HB ASN 58 HB2 ASN 58 7.173 4.233 6.720 481 2HB ASN 58 HB1 ASN 58 8.003 2.844 6.024 482 1HD2 ASN 58 HD21 ASN 58 8.688 2.020 7.914 483 2HD2 ASN 58 HD22 ASN 58 9.876 2.776 8.927 484 H LYS 59 HN LYS 59 9.504 2.527 4.319 485 HA LYS 59 HA LYS 59 12.221 3.262 4.880 486 1HB LYS 59 HB2 LYS 59 12.767 1.051 4.649 487 2HB LYS 59 HB1 LYS 59 11.066 0.937 5.076 488 1HG LYS 59 HG2 LYS 59 11.789 1.014 2.207 489 2HG LYS 59 HG1 LYS 59 12.101 -0.463 3.120 490 1HD LYS 59 HD2 LYS 59 9.679 -0.282 3.900 491 2HD LYS 59 HD1 LYS 59 9.482 0.909 2.609 492 1HE LYS 59 HE2 LYS 59 8.848 -1.356 1.892 493 2HE LYS 59 HE1 LYS 59 10.201 -0.710 0.959 494 1HZ LYS 59 HZ1 LYS 59 11.719 -1.990 2.361 495 2HZ LYS 59 HZ2 LYS 59 10.602 -3.010 1.605 496 3HZ LYS 59 HZ3 LYS 59 10.414 -2.615 3.237 497 H LEU 60 HN LEU 60 10.185 3.382 2.101 498 HA LEU 60 HA LEU 60 12.340 3.636 0.211 499 1HB LEU 60 HB2 LEU 60 9.400 4.245 0.066 500 2HB LEU 60 HB1 LEU 60 10.493 4.650 -1.241 501 HG LEU 60 HG LEU 60 9.919 1.869 -0.209 502 1HD1 LEU 60 HD11 LEU 60 9.225 3.219 -2.811 503 2HD1 LEU 60 HD12 LEU 60 8.102 2.886 -1.493 504 3HD1 LEU 60 HD13 LEU 60 8.858 1.553 -2.362 505 1HD2 LEU 60 HD21 LEU 60 11.271 1.115 -2.112 506 2HD2 LEU 60 HD22 LEU 60 12.221 2.029 -0.940 507 3HD2 LEU 60 HD23 LEU 60 11.712 2.791 -2.450 508 H LEU 61 HN LEU 61 10.594 5.741 2.346 509 HA LEU 61 HA LEU 61 11.435 8.211 1.203 510 1HB LEU 61 HB2 LEU 61 9.540 8.046 2.754 511 2HB LEU 61 HB1 LEU 61 10.622 7.530 4.031 512 HG LEU 61 HG LEU 61 11.747 9.737 3.932 513 1HD1 LEU 61 HD11 LEU 61 9.531 10.410 1.999 514 2HD1 LEU 61 HD12 LEU 61 11.253 10.325 1.628 515 3HD1 LEU 61 HD13 LEU 61 10.647 11.568 2.722 516 1HD2 LEU 61 HD21 LEU 61 9.983 9.316 5.556 517 2HD2 LEU 61 HD22 LEU 61 8.767 9.823 4.384 518 3HD2 LEU 61 HD23 LEU 61 9.938 10.988 5.001 519 H SER 62 HN SER 62 12.764 5.937 3.473 520 HA SER 62 HA SER 62 15.034 7.603 4.128 521 1HB SER 62 HB2 SER 62 13.982 6.002 5.753 522 2HB SER 62 HB1 SER 62 14.578 4.676 4.757 523 HG SER 62 HG SER 62 15.853 6.022 6.664 524 H ARG 63 HN ARG 63 14.159 5.750 1.554 525 HA ARG 63 HA ARG 63 15.105 4.515 -0.063 526 1HB ARG 63 HB2 ARG 63 16.932 6.841 0.352 527 2HB ARG 63 HB1 ARG 63 17.150 5.710 -0.965 528 1HG ARG 63 HG2 ARG 63 14.896 6.222 -1.775 529 2HG ARG 63 HG1 ARG 63 14.712 7.388 -0.462 530 1HD ARG 63 HD2 ARG 63 16.563 8.690 -1.328 531 2HD ARG 63 HD1 ARG 63 16.833 7.501 -2.600 532 HE ARG 63 HE ARG 63 14.296 8.207 -3.062 533 1HH1 ARG 63 HH11 ARG 63 17.165 10.119 -2.463 534 2HH1 ARG 63 HH12 ARG 63 16.617 11.470 -3.409 535 1HH2 ARG 63 HH21 ARG 63 13.567 9.997 -4.306 536 2HH2 ARG 63 HH22 ARG 63 14.594 11.393 -4.466 537 H ALA 64 HN ALA 64 15.659 3.306 2.368 538 HA ALA 64 HA ALA 64 18.354 2.238 1.862 539 1HB ALA 64 HB1 ALA 64 17.092 2.681 4.568 540 2HB ALA 64 HB2 ALA 64 18.394 3.640 3.866 541 3HB ALA 64 HB3 ALA 64 18.666 1.946 4.269 542 H ASN 65 HN ASN 65 16.650 0.926 0.531 543 HA ASN 65 HA ASN 65 16.252 -1.544 2.000 544 1HB ASN 65 HB2 ASN 65 13.921 -1.806 1.519 545 2HB ASN 65 HB1 ASN 65 14.124 -0.258 2.315 546 1HD2 ASN 65 HD21 ASN 65 15.109 1.031 -0.178 547 2HD2 ASN 65 HD22 ASN 65 13.700 1.226 -1.160 548 H GLY 66 HN GLY 66 17.916 -0.539 -0.156 549 1HA GLY 66 HA2 GLY 66 17.244 -2.576 -2.159 550 2HA GLY 66 HA1 GLY 66 17.607 -0.939 -2.692 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -13.652 17.642 -4.410 2 2H MET 1 HT2 MET 1 -14.404 17.476 -2.904 3 3H MET 1 HT3 MET 1 -15.321 17.367 -4.328 4 HA MET 1 HA MET 1 -14.920 15.191 -3.342 5 1HB MET 1 HB2 MET 1 -13.573 15.757 -5.990 6 2HB MET 1 HB1 MET 1 -13.841 14.132 -5.380 7 1HG MET 1 HG2 MET 1 -15.562 14.649 -6.940 8 2HG MET 1 HG1 MET 1 -16.272 14.609 -5.326 9 1HE MET 1 HE1 MET 1 -18.355 17.360 -7.220 10 2HE MET 1 HE2 MET 1 -18.434 15.849 -6.311 11 3HE MET 1 HE3 MET 1 -17.675 15.881 -7.903 12 H GLN 2 HN GLN 2 -13.667 14.438 -1.774 13 HA GLN 2 HA GLN 2 -10.762 14.458 -2.167 14 1HB GLN 2 HB2 GLN 2 -11.341 16.413 -0.763 15 2HB GLN 2 HB1 GLN 2 -12.134 15.340 0.380 16 1HG GLN 2 HG2 GLN 2 -9.935 14.190 0.690 17 2HG GLN 2 HG1 GLN 2 -9.204 15.465 -0.283 18 1HE2 GLN 2 HE21 GLN 2 -11.843 15.970 1.962 19 2HE2 GLN 2 HE22 GLN 2 -10.936 16.908 3.105 20 H HIS 3 HN HIS 3 -9.711 12.705 -1.317 21 HA HIS 3 HA HIS 3 -11.375 10.646 -0.038 22 1HB HIS 3 HB2 HIS 3 -8.787 10.501 -1.583 23 2HB HIS 3 HB1 HIS 3 -9.306 9.184 -0.543 24 HD1 HIS 3 HD1 HIS 3 -10.443 7.399 -1.789 25 HD2 HIS 3 HD2 HIS 3 -11.071 11.131 -3.523 26 HE1 HIS 3 HE1 HIS 3 -11.812 6.970 -3.854 27 HE2 HIS 3 HE2 HIS 3 -11.993 9.212 -4.993 28 H GLU 4 HN GLU 4 -11.330 11.025 2.114 29 HA GLU 4 HA GLU 4 -8.700 11.378 3.381 30 1HB GLU 4 HB2 GLU 4 -11.484 11.807 4.471 31 2HB GLU 4 HB1 GLU 4 -10.029 11.887 5.452 32 1HG GLU 4 HG2 GLU 4 -9.221 13.705 3.936 33 2HG GLU 4 HG1 GLU 4 -10.820 13.699 3.192 34 H LEU 5 HN LEU 5 -7.981 9.986 4.925 35 HA LEU 5 HA LEU 5 -9.597 7.847 5.907 36 1HB LEU 5 HB2 LEU 5 -7.857 6.115 5.069 37 2HB LEU 5 HB1 LEU 5 -9.162 6.612 4.017 38 HG LEU 5 HG LEU 5 -7.608 8.112 2.816 39 1HD1 LEU 5 HD11 LEU 5 -6.009 8.585 4.574 40 2HD1 LEU 5 HD12 LEU 5 -5.194 7.880 3.176 41 3HD1 LEU 5 HD13 LEU 5 -5.514 6.893 4.603 42 1HD2 LEU 5 HD21 LEU 5 -6.729 5.235 3.040 43 2HD2 LEU 5 HD22 LEU 5 -6.317 6.332 1.721 44 3HD2 LEU 5 HD23 LEU 5 -7.999 5.870 1.990 45 H GLN 6 HN GLN 6 -8.458 6.531 7.456 46 HA GLN 6 HA GLN 6 -6.218 7.969 8.704 47 1HB GLN 6 HB2 GLN 6 -6.937 7.002 10.808 48 2HB GLN 6 HB1 GLN 6 -8.285 7.839 10.051 49 1HG GLN 6 HG2 GLN 6 -9.215 5.744 9.313 50 2HG GLN 6 HG1 GLN 6 -7.821 4.870 9.951 51 1HE2 GLN 6 HE21 GLN 6 -7.508 4.821 12.199 52 2HE2 GLN 6 HE22 GLN 6 -8.838 4.995 13.289 53 HA PRO 7 HA PRO 7 -3.176 4.712 8.468 54 1HB PRO 7 HB2 PRO 7 -3.953 4.037 11.284 55 2HB PRO 7 HB1 PRO 7 -2.343 4.122 10.560 56 1HG PRO 7 HG2 PRO 7 -3.308 6.142 12.026 57 2HG PRO 7 HG1 PRO 7 -2.294 6.428 10.602 58 1HD PRO 7 HD2 PRO 7 -5.169 6.935 10.981 59 2HD PRO 7 HD1 PRO 7 -4.050 7.621 9.787 60 H ASP 8 HN ASP 8 -6.014 3.622 10.376 61 HA ASP 8 HA ASP 8 -5.963 1.141 8.815 62 1HB ASP 8 HB2 ASP 8 -6.080 0.836 11.251 63 2HB ASP 8 HB1 ASP 8 -7.542 1.820 11.310 64 H SER 9 HN SER 9 -6.967 1.409 6.989 65 HA SER 9 HA SER 9 -9.723 2.026 6.797 66 1HB SER 9 HB2 SER 9 -8.686 4.328 7.106 67 2HB SER 9 HB1 SER 9 -7.852 4.073 5.572 68 HG SER 9 HG SER 9 -10.667 4.047 5.985 69 H LEU 10 HN LEU 10 -9.749 2.766 4.063 70 HA LEU 10 HA LEU 10 -8.377 0.430 2.928 71 1HB LEU 10 HB2 LEU 10 -10.319 -0.035 1.523 72 2HB LEU 10 HB1 LEU 10 -10.712 -0.137 3.227 73 HG LEU 10 HG LEU 10 -11.296 2.382 1.703 74 1HD1 LEU 10 HD11 LEU 10 -13.048 -0.067 1.815 75 2HD1 LEU 10 HD12 LEU 10 -12.248 0.570 0.377 76 3HD1 LEU 10 HD13 LEU 10 -13.511 1.510 1.176 77 1HD2 LEU 10 HD21 LEU 10 -13.090 2.577 3.343 78 2HD2 LEU 10 HD22 LEU 10 -11.525 2.400 4.139 79 3HD2 LEU 10 HD23 LEU 10 -12.628 1.026 4.046 80 H VAL 11 HN VAL 11 -6.897 1.128 1.633 81 HA VAL 11 HA VAL 11 -7.577 3.107 -0.426 82 HB VAL 11 HB VAL 11 -5.237 3.192 -0.973 83 1HG1 VAL 11 HG11 VAL 11 -5.884 4.521 0.951 84 2HG1 VAL 11 HG12 VAL 11 -4.235 3.921 1.129 85 3HG1 VAL 11 HG13 VAL 11 -5.551 3.157 2.020 86 1HG2 VAL 11 HG21 VAL 11 -4.706 0.834 -0.772 87 2HG2 VAL 11 HG22 VAL 11 -4.848 0.938 0.984 88 3HG2 VAL 11 HG23 VAL 11 -3.560 1.810 0.149 89 H ASP 12 HN ASP 12 -6.957 2.444 -2.700 90 HA ASP 12 HA ASP 12 -7.281 -0.460 -3.036 91 1HB ASP 12 HB2 ASP 12 -8.948 -0.243 -4.597 92 2HB ASP 12 HB1 ASP 12 -9.306 1.158 -3.596 93 H LEU 13 HN LEU 13 -6.721 -1.128 -5.341 94 HA LEU 13 HA LEU 13 -4.055 -0.869 -5.853 95 1HB LEU 13 HB2 LEU 13 -6.284 -1.307 -7.818 96 2HB LEU 13 HB1 LEU 13 -4.592 -1.605 -8.164 97 HG LEU 13 HG LEU 13 -6.250 -3.047 -6.091 98 1HD1 LEU 13 HD11 LEU 13 -5.137 -3.989 -8.728 99 2HD1 LEU 13 HD12 LEU 13 -6.833 -3.653 -8.380 100 3HD1 LEU 13 HD13 LEU 13 -6.009 -4.976 -7.555 101 1HD2 LEU 13 HD21 LEU 13 -3.960 -2.870 -5.352 102 2HD2 LEU 13 HD22 LEU 13 -3.376 -3.413 -6.925 103 3HD2 LEU 13 HD23 LEU 13 -4.279 -4.519 -5.890 104 H LYS 14 HN LYS 14 -6.652 1.022 -7.395 105 HA LYS 14 HA LYS 14 -5.064 2.498 -9.163 106 1HB LYS 14 HB2 LYS 14 -7.468 2.451 -9.402 107 2HB LYS 14 HB1 LYS 14 -7.689 3.143 -7.802 108 1HG LYS 14 HG2 LYS 14 -8.112 4.866 -9.362 109 2HG LYS 14 HG1 LYS 14 -6.536 5.210 -8.645 110 1HD LYS 14 HD2 LYS 14 -6.293 5.582 -10.961 111 2HD LYS 14 HD1 LYS 14 -5.526 4.025 -10.632 112 1HE LYS 14 HE2 LYS 14 -6.918 3.990 -12.673 113 2HE LYS 14 HE1 LYS 14 -7.468 2.846 -11.448 114 1HZ LYS 14 HZ1 LYS 14 -8.649 5.541 -11.890 115 2HZ LYS 14 HZ2 LYS 14 -9.214 4.352 -10.818 116 3HZ LYS 14 HZ3 LYS 14 -9.296 4.093 -12.491 117 H PHE 15 HN PHE 15 -6.051 3.067 -5.854 118 HA PHE 15 HA PHE 15 -4.991 5.636 -5.512 119 1HB PHE 15 HB2 PHE 15 -6.564 4.208 -4.024 120 2HB PHE 15 HB1 PHE 15 -5.072 3.593 -3.322 121 HD1 PHE 15 HD1 PHE 15 -6.604 6.873 -4.210 122 HD2 PHE 15 HD2 PHE 15 -4.257 4.631 -1.463 123 HE1 PHE 15 HE1 PHE 15 -6.470 8.842 -2.732 124 HE2 PHE 15 HE2 PHE 15 -4.109 6.594 0.020 125 HZ PHE 15 HZ PHE 15 -5.203 8.706 -0.623 126 H ILE 16 HN ILE 16 -3.605 2.461 -4.665 127 HA ILE 16 HA ILE 16 -1.136 3.309 -3.723 128 HB ILE 16 HB ILE 16 -1.252 0.850 -5.430 129 1HG1 ILE 16 HG12 ILE 16 -2.378 1.059 -2.628 130 2HG1 ILE 16 HG11 ILE 16 -3.357 0.889 -4.076 131 1HG2 ILE 16 HG21 ILE 16 0.195 0.015 -3.578 132 2HG2 ILE 16 HG22 ILE 16 0.081 1.606 -2.830 133 3HG2 ILE 16 HG23 ILE 16 0.854 1.427 -4.405 134 1HD1 ILE 16 HD11 ILE 16 -1.362 -1.121 -3.057 135 2HD1 ILE 16 HD12 ILE 16 -2.337 -1.290 -4.514 136 3HD1 ILE 16 HD13 ILE 16 -3.116 -1.237 -2.933 137 H MET 17 HN MET 17 -2.118 2.532 -7.029 138 HA MET 17 HA MET 17 0.336 3.032 -8.293 139 1HB MET 17 HB2 MET 17 -2.496 3.248 -9.324 140 2HB MET 17 HB1 MET 17 -1.073 3.397 -10.345 141 1HG MET 17 HG2 MET 17 -0.410 1.125 -9.765 142 2HG MET 17 HG1 MET 17 -1.821 0.976 -8.718 143 1HE MET 17 HE1 MET 17 -2.122 1.554 -13.290 144 2HE MET 17 HE2 MET 17 -0.582 1.418 -12.444 145 3HE MET 17 HE3 MET 17 -1.621 2.815 -12.160 146 H ALA 18 HN ALA 18 -2.325 5.151 -7.407 147 HA ALA 18 HA ALA 18 -1.396 7.463 -8.747 148 1HB ALA 18 HB1 ALA 18 -2.976 8.681 -7.331 149 2HB ALA 18 HB2 ALA 18 -3.178 7.251 -6.318 150 3HB ALA 18 HB3 ALA 18 -3.709 7.223 -8.000 151 H ASP 19 HN ASP 19 -0.931 6.256 -5.436 152 HA ASP 19 HA ASP 19 0.426 8.552 -4.486 153 1HB ASP 19 HB2 ASP 19 -0.595 6.913 -2.966 154 2HB ASP 19 HB1 ASP 19 0.576 5.701 -3.479 155 H THR 20 HN THR 20 1.580 5.563 -5.976 156 HA THR 20 HA THR 20 4.334 6.376 -5.442 157 HB THR 20 HB THR 20 4.895 4.071 -6.267 158 HG1 THR 20 HG1 THR 20 2.136 3.479 -5.988 159 1HG2 THR 20 HG21 THR 20 4.679 4.563 -3.884 160 2HG2 THR 20 HG22 THR 20 4.082 2.943 -4.246 161 3HG2 THR 20 HG23 THR 20 2.943 4.263 -3.970 162 H GLY 21 HN GLY 21 2.207 5.619 -8.154 163 1HA GLY 21 HA2 GLY 21 2.439 6.389 -10.349 164 2HA GLY 21 HA1 GLY 21 4.074 6.917 -9.974 165 H PHE 22 HN PHE 22 3.138 3.731 -9.034 166 HA PHE 22 HA PHE 22 4.684 2.621 -11.284 167 1HB PHE 22 HB2 PHE 22 4.699 1.692 -8.406 168 2HB PHE 22 HB1 PHE 22 5.550 0.909 -9.734 169 HD1 PHE 22 HD1 PHE 22 5.785 3.279 -7.124 170 HD2 PHE 22 HD2 PHE 22 7.255 2.379 -11.016 171 HE1 PHE 22 HE1 PHE 22 7.735 4.723 -6.719 172 HE2 PHE 22 HE2 PHE 22 9.206 3.825 -10.619 173 HZ PHE 22 HZ PHE 22 9.466 4.959 -8.423 174 H GLY 23 HN GLY 23 4.362 0.022 -11.052 175 1HA GLY 23 HA2 GLY 23 1.454 -0.318 -11.346 176 2HA GLY 23 HA1 GLY 23 2.682 -1.300 -12.131 177 H LYS 24 HN LYS 24 0.686 -2.602 -11.005 178 HA LYS 24 HA LYS 24 0.572 -3.146 -8.331 179 1HB LYS 24 HB2 LYS 24 -0.346 -5.374 -8.962 180 2HB LYS 24 HB1 LYS 24 -1.096 -4.009 -9.773 181 1HG LYS 24 HG2 LYS 24 0.171 -4.483 -11.793 182 2HG LYS 24 HG1 LYS 24 0.985 -5.823 -10.980 183 1HD LYS 24 HD2 LYS 24 -1.133 -6.969 -10.693 184 2HD LYS 24 HD1 LYS 24 -1.990 -5.612 -11.426 185 1HE LYS 24 HE2 LYS 24 0.069 -7.338 -12.794 186 2HE LYS 24 HE1 LYS 24 -1.676 -7.462 -13.006 187 1HZ LYS 24 HZ1 LYS 24 -1.575 -5.063 -13.744 188 2HZ LYS 24 HZ2 LYS 24 -0.908 -6.201 -14.804 189 3HZ LYS 24 HZ3 LYS 24 0.108 -5.251 -13.841 190 H THR 25 HN THR 25 2.875 -4.624 -10.618 191 HA THR 25 HA THR 25 3.752 -6.671 -8.918 192 HB THR 25 HB THR 25 4.351 -6.623 -11.301 193 HG1 THR 25 HG1 THR 25 6.865 -6.789 -10.676 194 1HG2 THR 25 HG21 THR 25 4.802 -4.235 -11.564 195 2HG2 THR 25 HG22 THR 25 6.179 -5.193 -12.106 196 3HG2 THR 25 HG23 THR 25 6.233 -4.379 -10.541 197 H PHE 26 HN PHE 26 4.905 -3.344 -9.268 198 HA PHE 26 HA PHE 26 7.012 -3.464 -7.428 199 1HB PHE 26 HB2 PHE 26 7.019 -1.568 -8.795 200 2HB PHE 26 HB1 PHE 26 5.299 -1.278 -8.569 201 HD1 PHE 26 HD1 PHE 26 4.490 -0.039 -6.680 202 HD2 PHE 26 HD2 PHE 26 8.629 -0.870 -7.145 203 HE1 PHE 26 HE1 PHE 26 5.019 1.632 -4.949 204 HE2 PHE 26 HE2 PHE 26 9.171 0.798 -5.422 205 HZ PHE 26 HZ PHE 26 7.293 2.061 -4.310 206 H ILE 27 HN ILE 27 3.601 -2.668 -7.104 207 HA ILE 27 HA ILE 27 3.590 -1.812 -4.454 208 HB ILE 27 HB ILE 27 1.387 -3.261 -5.931 209 1HG1 ILE 27 HG12 ILE 27 1.873 -0.286 -5.655 210 2HG1 ILE 27 HG11 ILE 27 2.302 -1.228 -7.080 211 1HG2 ILE 27 HG21 ILE 27 0.961 -3.209 -3.550 212 2HG2 ILE 27 HG22 ILE 27 -0.109 -2.065 -4.361 213 3HG2 ILE 27 HG23 ILE 27 1.311 -1.480 -3.491 214 1HD1 ILE 27 HD11 ILE 27 -0.087 -1.832 -7.320 215 2HD1 ILE 27 HD12 ILE 27 0.245 -0.106 -7.489 216 3HD1 ILE 27 HD13 ILE 27 -0.452 -0.728 -5.992 217 H TYR 28 HN TYR 28 2.704 -5.021 -5.711 218 HA TYR 28 HA TYR 28 2.181 -6.126 -3.201 219 1HB TYR 28 HB2 TYR 28 2.771 -7.341 -5.882 220 2HB TYR 28 HB1 TYR 28 2.508 -8.350 -4.461 221 HD1 TYR 28 HD1 TYR 28 0.893 -5.421 -6.174 222 HD2 TYR 28 HD2 TYR 28 0.364 -9.095 -4.081 223 HE1 TYR 28 HE1 TYR 28 -1.542 -5.224 -6.447 224 HE2 TYR 28 HE2 TYR 28 -2.067 -8.911 -4.364 225 HH TYR 28 HH TYR 28 -3.749 -7.240 -4.766 226 H ASP 29 HN ASP 29 5.182 -6.145 -5.109 227 HA ASP 29 HA ASP 29 6.641 -7.742 -3.261 228 1HB ASP 29 HB2 ASP 29 7.462 -7.431 -5.536 229 2HB ASP 29 HB1 ASP 29 7.618 -5.696 -5.272 230 H ARG 30 HN ARG 30 6.405 -4.246 -3.758 231 HA ARG 30 HA ARG 30 8.311 -3.517 -1.832 232 1HB ARG 30 HB2 ARG 30 7.359 -2.114 -3.734 233 2HB ARG 30 HB1 ARG 30 5.984 -1.807 -2.679 234 1HG ARG 30 HG2 ARG 30 7.185 -0.022 -2.077 235 2HG ARG 30 HG1 ARG 30 8.000 -1.174 -1.020 236 1HD ARG 30 HD2 ARG 30 8.899 -0.110 -3.678 237 2HD ARG 30 HD1 ARG 30 9.702 0.017 -2.116 238 HE ARG 30 HE ARG 30 9.706 -2.615 -2.496 239 1HH1 ARG 30 HH11 ARG 30 10.670 0.028 -4.598 240 2HH1 ARG 30 HH12 ARG 30 11.776 -0.953 -5.516 241 1HH2 ARG 30 HH21 ARG 30 11.122 -3.899 -3.757 242 2HH2 ARG 30 HH22 ARG 30 12.037 -3.158 -5.033 243 H ILE 31 HN ILE 31 4.806 -3.905 -1.624 244 HA ILE 31 HA ILE 31 4.607 -2.816 1.005 245 HB ILE 31 HB ILE 31 2.732 -4.244 -0.824 246 1HG1 ILE 31 HG12 ILE 31 1.309 -2.253 -0.289 247 2HG1 ILE 31 HG11 ILE 31 2.604 -1.639 0.755 248 1HG2 ILE 31 HG21 ILE 31 1.018 -4.406 0.869 249 2HG2 ILE 31 HG22 ILE 31 2.131 -3.781 2.086 250 3HG2 ILE 31 HG23 ILE 31 2.427 -5.357 1.345 251 1HD1 ILE 31 HD11 ILE 31 4.075 -1.486 -1.185 252 2HD1 ILE 31 HD12 ILE 31 2.590 -0.568 -1.441 253 3HD1 ILE 31 HD13 ILE 31 2.803 -2.137 -2.219 254 H LYS 32 HN LYS 32 4.612 -6.171 -0.257 255 HA LYS 32 HA LYS 32 4.378 -7.457 2.220 256 1HB LYS 32 HB2 LYS 32 5.691 -8.298 -0.351 257 2HB LYS 32 HB1 LYS 32 5.658 -9.344 1.061 258 1HG LYS 32 HG2 LYS 32 3.163 -9.125 1.050 259 2HG LYS 32 HG1 LYS 32 3.316 -8.302 -0.505 260 1HD LYS 32 HD2 LYS 32 4.411 -10.263 -1.447 261 2HD LYS 32 HD1 LYS 32 4.307 -11.080 0.113 262 1HE LYS 32 HE2 LYS 32 1.858 -10.968 -0.001 263 2HE LYS 32 HE1 LYS 32 1.972 -10.171 -1.570 264 1HZ LYS 32 HZ1 LYS 32 3.043 -12.142 -2.461 265 2HZ LYS 32 HZ2 LYS 32 1.533 -12.535 -1.799 266 3HZ LYS 32 HZ3 LYS 32 2.953 -12.905 -0.947 267 H SER 33 HN SER 33 7.154 -6.182 0.530 268 HA SER 33 HA SER 33 9.024 -7.058 2.557 269 1HB SER 33 HB2 SER 33 9.585 -6.942 0.129 270 2HB SER 33 HB1 SER 33 9.391 -5.192 0.211 271 HG SER 33 HG SER 33 11.515 -6.728 0.900 272 H GLY 34 HN GLY 34 6.824 -4.572 2.329 273 1HA GLY 34 HA2 GLY 34 8.348 -2.428 3.456 274 2HA GLY 34 HA1 GLY 34 6.592 -2.529 3.373 275 H ASP 35 HN ASP 35 5.713 -4.356 4.826 276 HA ASP 35 HA ASP 35 7.281 -5.226 7.043 277 1HB ASP 35 HB2 ASP 35 6.653 -2.792 7.636 278 2HB ASP 35 HB1 ASP 35 5.017 -3.406 7.848 279 H LEU 36 HN LEU 36 5.714 -6.389 5.008 280 HA LEU 36 HA LEU 36 4.219 -8.049 4.655 281 1HB LEU 36 HB2 LEU 36 3.918 -8.113 7.654 282 2HB LEU 36 HB1 LEU 36 3.365 -9.344 6.537 283 HG LEU 36 HG LEU 36 6.238 -8.602 7.089 284 1HD1 LEU 36 HD11 LEU 36 6.386 -10.850 8.018 285 2HD1 LEU 36 HD12 LEU 36 4.667 -11.096 7.713 286 3HD1 LEU 36 HD13 LEU 36 5.189 -9.881 8.880 287 1HD2 LEU 36 HD21 LEU 36 6.782 -10.511 5.633 288 2HD2 LEU 36 HD22 LEU 36 5.976 -9.205 4.762 289 3HD2 LEU 36 HD23 LEU 36 5.075 -10.654 5.212 290 HA PRO 37 HA PRO 37 0.717 -5.587 3.905 291 1HB PRO 37 HB2 PRO 37 -0.659 -8.220 3.625 292 2HB PRO 37 HB1 PRO 37 -0.641 -6.836 2.526 293 1HG PRO 37 HG2 PRO 37 0.844 -8.974 2.010 294 2HG PRO 37 HG1 PRO 37 1.473 -7.342 1.711 295 1HD PRO 37 HD2 PRO 37 2.110 -9.247 3.917 296 2HD PRO 37 HD1 PRO 37 3.161 -8.082 3.084 297 H LYS 38 HN LYS 38 -0.216 -4.546 5.514 298 HA LYS 38 HA LYS 38 -1.585 -5.857 7.694 299 1HB LYS 38 HB2 LYS 38 -2.012 -2.982 6.933 300 2HB LYS 38 HB1 LYS 38 -2.001 -3.704 8.532 301 1HG LYS 38 HG2 LYS 38 0.412 -3.259 6.788 302 2HG LYS 38 HG1 LYS 38 -0.072 -2.265 8.162 303 1HD LYS 38 HD2 LYS 38 0.205 -4.167 9.650 304 2HD LYS 38 HD1 LYS 38 0.656 -5.182 8.274 305 1HE LYS 38 HE2 LYS 38 2.622 -3.846 7.874 306 2HE LYS 38 HE1 LYS 38 2.145 -2.700 9.126 307 1HZ LYS 38 HZ1 LYS 38 2.463 -4.369 10.787 308 2HZ LYS 38 HZ2 LYS 38 3.872 -4.294 9.838 309 3HZ LYS 38 HZ3 LYS 38 2.768 -5.559 9.619 310 H ALA 39 HN ALA 39 -2.302 -4.712 4.555 311 HA ALA 39 HA ALA 39 -4.952 -4.120 4.468 312 1HB ALA 39 HB1 ALA 39 -3.420 -3.991 2.571 313 2HB ALA 39 HB2 ALA 39 -4.903 -4.849 2.158 314 3HB ALA 39 HB3 ALA 39 -3.419 -5.750 2.460 315 H LYS 40 HN LYS 40 -6.800 -5.298 3.734 316 HA LYS 40 HA LYS 40 -6.885 -7.984 4.916 317 1HB LYS 40 HB2 LYS 40 -8.984 -5.850 4.593 318 2HB LYS 40 HB1 LYS 40 -9.434 -7.528 4.853 319 1HG LYS 40 HG2 LYS 40 -9.484 -6.351 6.947 320 2HG LYS 40 HG1 LYS 40 -8.162 -7.516 6.970 321 1HD LYS 40 HD2 LYS 40 -6.570 -5.719 6.486 322 2HD LYS 40 HD1 LYS 40 -7.897 -4.557 6.438 323 1HE LYS 40 HE2 LYS 40 -7.170 -6.222 8.845 324 2HE LYS 40 HE1 LYS 40 -6.643 -4.561 8.587 325 1HZ LYS 40 HZ1 LYS 40 -9.009 -3.915 8.518 326 2HZ LYS 40 HZ2 LYS 40 -8.552 -4.570 10.009 327 3HZ LYS 40 HZ3 LYS 40 -9.441 -5.501 8.909 328 H VAL 41 HN VAL 41 -6.088 -9.005 3.087 329 HA VAL 41 HA VAL 41 -7.494 -8.701 0.544 330 HB VAL 41 HB VAL 41 -5.026 -10.297 1.275 331 1HG1 VAL 41 HG11 VAL 41 -6.231 -9.732 -1.428 332 2HG1 VAL 41 HG12 VAL 41 -6.189 -11.294 -0.612 333 3HG1 VAL 41 HG13 VAL 41 -4.687 -10.531 -1.136 334 1HG2 VAL 41 HG21 VAL 41 -4.648 -7.907 1.437 335 2HG2 VAL 41 HG22 VAL 41 -5.325 -7.669 -0.174 336 3HG2 VAL 41 HG23 VAL 41 -3.815 -8.559 0.026 337 H ILE 42 HN ILE 42 -8.886 -10.170 -0.247 338 HA ILE 42 HA ILE 42 -9.194 -12.675 1.252 339 HB ILE 42 HB ILE 42 -11.118 -11.221 1.541 340 1HG1 ILE 42 HG12 ILE 42 -12.894 -12.759 0.730 341 2HG1 ILE 42 HG11 ILE 42 -11.694 -13.588 -0.254 342 1HG2 ILE 42 HG21 ILE 42 -10.967 -9.889 -0.463 343 2HG2 ILE 42 HG22 ILE 42 -12.562 -10.637 -0.368 344 3HG2 ILE 42 HG23 ILE 42 -11.345 -11.292 -1.463 345 1HD1 ILE 42 HD11 ILE 42 -11.654 -13.384 2.750 346 2HD1 ILE 42 HD12 ILE 42 -10.488 -14.251 1.749 347 3HD1 ILE 42 HD13 ILE 42 -12.167 -14.786 1.815 348 H HIS 43 HN HIS 43 -8.840 -11.263 -1.899 349 HA HIS 43 HA HIS 43 -8.598 -13.944 -3.046 350 1HB HIS 43 HB2 HIS 43 -10.993 -13.059 -3.306 351 2HB HIS 43 HB1 HIS 43 -10.315 -11.874 -4.415 352 HD1 HIS 43 HD1 HIS 43 -11.219 -15.461 -4.115 353 HD2 HIS 43 HD2 HIS 43 -9.474 -12.920 -6.906 354 HE1 HIS 43 HE1 HIS 43 -11.202 -16.743 -6.280 355 HE2 HIS 43 HE2 HIS 43 -10.344 -15.105 -7.995 356 H GLY 44 HN GLY 44 -6.402 -12.708 -2.652 357 1HA GLY 44 HA2 GLY 44 -4.482 -12.030 -3.753 358 2HA GLY 44 HA1 GLY 44 -5.411 -11.943 -5.243 359 H ARG 45 HN ARG 45 -7.406 -10.194 -4.088 360 HA ARG 45 HA ARG 45 -6.003 -7.838 -3.141 361 1HB ARG 45 HB2 ARG 45 -7.044 -6.369 -4.812 362 2HB ARG 45 HB1 ARG 45 -6.016 -7.562 -5.596 363 1HG ARG 45 HG2 ARG 45 -8.052 -8.909 -6.066 364 2HG ARG 45 HG1 ARG 45 -9.021 -7.580 -5.426 365 1HD ARG 45 HD2 ARG 45 -8.932 -7.432 -7.835 366 2HD ARG 45 HD1 ARG 45 -8.033 -6.088 -7.128 367 HE ARG 45 HE ARG 45 -6.066 -7.826 -7.530 368 1HH1 ARG 45 HH11 ARG 45 -8.658 -6.815 -9.658 369 2HH1 ARG 45 HH12 ARG 45 -7.778 -7.194 -11.111 370 1HH2 ARG 45 HH21 ARG 45 -4.894 -8.281 -9.432 371 2HH2 ARG 45 HH22 ARG 45 -5.646 -8.025 -10.983 372 H ALA 46 HN ALA 46 -7.772 -6.112 -2.641 373 HA ALA 46 HA ALA 46 -10.470 -6.655 -2.455 374 1HB ALA 46 HB1 ALA 46 -10.841 -7.225 -0.129 375 2HB ALA 46 HB2 ALA 46 -9.103 -7.271 0.166 376 3HB ALA 46 HB3 ALA 46 -9.850 -8.468 -0.895 377 H ARG 47 HN ARG 47 -8.775 -5.603 0.424 378 HA ARG 47 HA ARG 47 -8.940 -2.796 -0.410 379 1HB ARG 47 HB2 ARG 47 -10.014 -3.841 2.230 380 2HB ARG 47 HB1 ARG 47 -9.892 -2.148 1.775 381 1HG ARG 47 HG2 ARG 47 -11.511 -2.496 -0.008 382 2HG ARG 47 HG1 ARG 47 -11.611 -4.208 0.408 383 1HD ARG 47 HD2 ARG 47 -12.379 -1.886 2.173 384 2HD ARG 47 HD1 ARG 47 -13.485 -2.992 1.362 385 HE ARG 47 HE ARG 47 -11.959 -4.655 2.854 386 1HH1 ARG 47 HH11 ARG 47 -13.841 -1.784 3.576 387 2HH1 ARG 47 HH12 ARG 47 -14.117 -2.227 5.235 388 1HH2 ARG 47 HH21 ARG 47 -12.345 -5.249 5.039 389 2HH2 ARG 47 HH22 ARG 47 -13.262 -4.184 6.069 390 H TRP 48 HN TRP 48 -7.185 -1.675 0.216 391 HA TRP 48 HA TRP 48 -5.180 -3.227 1.697 392 1HB TRP 48 HB2 TRP 48 -4.983 -2.149 -0.782 393 2HB TRP 48 HB1 TRP 48 -4.362 -0.822 0.191 394 HD1 TRP 48 HD1 TRP 48 -2.202 -1.446 1.806 395 HE1 TRP 48 HE1 TRP 48 -0.247 -3.054 1.347 396 HE3 TRP 48 HE3 TRP 48 -4.334 -4.235 -1.914 397 HZ2 TRP 48 HZ2 TRP 48 0.304 -5.226 -0.383 398 HZ3 TRP 48 HZ3 TRP 48 -3.018 -6.057 -2.917 399 HH2 TRP 48 HH2 TRP 48 -0.751 -6.541 -2.167 400 H LEU 49 HN LEU 49 -4.196 -2.388 3.482 401 HA LEU 49 HA LEU 49 -5.532 -0.211 4.769 402 1HB LEU 49 HB2 LEU 49 -3.761 -2.373 5.551 403 2HB LEU 49 HB1 LEU 49 -3.411 -0.859 6.373 404 HG LEU 49 HG LEU 49 -5.663 -0.720 7.198 405 1HD1 LEU 49 HD11 LEU 49 -6.187 -3.230 5.641 406 2HD1 LEU 49 HD12 LEU 49 -6.835 -1.624 5.304 407 3HD1 LEU 49 HD13 LEU 49 -7.303 -2.473 6.778 408 1HD2 LEU 49 HD21 LEU 49 -4.517 -3.469 7.607 409 2HD2 LEU 49 HD22 LEU 49 -5.753 -2.717 8.616 410 3HD2 LEU 49 HD23 LEU 49 -4.134 -2.019 8.539 411 H TYR 50 HN TYR 50 -4.882 1.799 5.040 412 HA TYR 50 HA TYR 50 -2.811 2.850 3.459 413 1HB TYR 50 HB2 TYR 50 -4.835 4.113 4.278 414 2HB TYR 50 HB1 TYR 50 -4.050 4.216 5.853 415 HD1 TYR 50 HD1 TYR 50 -3.779 5.234 2.308 416 HD2 TYR 50 HD2 TYR 50 -2.323 5.777 6.272 417 HE1 TYR 50 HE1 TYR 50 -2.592 7.270 1.590 418 HE2 TYR 50 HE2 TYR 50 -1.136 7.812 5.566 419 HH TYR 50 HH TYR 50 -0.249 8.817 3.521 420 H ARG 51 HN ARG 51 -2.968 2.104 6.935 421 HA ARG 51 HA ARG 51 -0.459 3.058 7.687 422 1HB ARG 51 HB2 ARG 51 -0.590 1.635 9.593 423 2HB ARG 51 HB1 ARG 51 -2.208 2.222 9.243 424 1HG ARG 51 HG2 ARG 51 -2.670 0.067 8.095 425 2HG ARG 51 HG1 ARG 51 -1.092 -0.498 8.658 426 1HD ARG 51 HD2 ARG 51 -1.823 0.016 10.985 427 2HD ARG 51 HD1 ARG 51 -3.417 0.388 10.337 428 HE ARG 51 HE ARG 51 -2.454 -2.231 9.653 429 1HH1 ARG 51 HH11 ARG 51 -4.245 -0.305 11.959 430 2HH1 ARG 51 HH12 ARG 51 -5.076 -1.674 12.643 431 1HH2 ARG 51 HH21 ARG 51 -3.516 -4.042 10.602 432 2HH2 ARG 51 HH22 ARG 51 -4.654 -3.782 11.888 433 H ASP 52 HN ASP 52 -1.367 0.036 6.186 434 HA ASP 52 HA ASP 52 1.081 -1.291 6.175 435 1HB ASP 52 HB2 ASP 52 -0.949 -2.353 5.386 436 2HB ASP 52 HB1 ASP 52 -1.055 -1.210 4.043 437 H HIS 53 HN HIS 53 -0.228 1.095 3.942 438 HA HIS 53 HA HIS 53 1.935 1.133 2.150 439 1HB HIS 53 HB2 HIS 53 -0.183 3.160 2.849 440 2HB HIS 53 HB1 HIS 53 1.093 3.536 1.695 441 HD1 HIS 53 HD1 HIS 53 -0.797 3.747 -0.124 442 HD2 HIS 53 HD2 HIS 53 -0.286 -0.051 1.489 443 HE1 HIS 53 HE1 HIS 53 -2.005 2.180 -1.680 444 HE2 HIS 53 HE2 HIS 53 -1.545 -0.121 -0.762 445 H CYS 54 HN CYS 54 1.295 2.897 5.132 446 HA CYS 54 HA CYS 54 3.483 4.616 5.105 447 1HB CYS 54 HB2 CYS 54 1.623 4.632 6.790 448 2HB CYS 54 HB1 CYS 54 2.340 3.210 7.533 449 HG CYS 54 HG CYS 54 2.884 6.278 8.271 450 H GLU 55 HN GLU 55 3.251 1.191 5.912 451 HA GLU 55 HA GLU 55 5.853 0.913 6.978 452 1HB GLU 55 HB2 GLU 55 4.085 -1.158 5.692 453 2HB GLU 55 HB1 GLU 55 5.471 -1.464 6.738 454 1HG GLU 55 HG2 GLU 55 3.131 0.151 7.665 455 2HG GLU 55 HG1 GLU 55 3.142 -1.604 7.756 456 H PHE 56 HN PHE 56 4.485 0.132 3.770 457 HA PHE 56 HA PHE 56 6.957 -0.632 2.671 458 1HB PHE 56 HB2 PHE 56 5.805 -1.100 0.779 459 2HB PHE 56 HB1 PHE 56 4.411 -0.860 1.822 460 HD1 PHE 56 HD1 PHE 56 6.618 0.998 -0.539 461 HD2 PHE 56 HD2 PHE 56 2.758 0.577 1.195 462 HE1 PHE 56 HE1 PHE 56 5.746 2.683 -2.097 463 HE2 PHE 56 HE2 PHE 56 1.878 2.282 -0.353 464 HZ PHE 56 HZ PHE 56 3.378 3.338 -1.993 465 H LYS 57 HN LYS 57 5.187 2.427 2.531 466 HA LYS 57 HA LYS 57 7.029 3.983 1.127 467 1HB LYS 57 HB2 LYS 57 5.151 4.726 3.370 468 2HB LYS 57 HB1 LYS 57 6.084 5.906 2.458 469 1HG LYS 57 HG2 LYS 57 4.164 3.972 1.192 470 2HG LYS 57 HG1 LYS 57 3.722 5.601 1.708 471 1HD LYS 57 HD2 LYS 57 6.045 5.135 -0.124 472 2HD LYS 57 HD1 LYS 57 4.397 5.230 -0.754 473 1HE LYS 57 HE2 LYS 57 5.699 7.341 0.956 474 2HE LYS 57 HE1 LYS 57 5.642 7.388 -0.805 475 1HZ LYS 57 HZ1 LYS 57 3.275 7.362 0.997 476 2HZ LYS 57 HZ2 LYS 57 3.219 7.394 -0.695 477 3HZ LYS 57 HZ3 LYS 57 3.862 8.712 0.161 478 H ASN 58 HN ASN 58 7.097 2.791 4.371 479 HA ASN 58 HA ASN 58 8.938 4.626 5.492 480 1HB ASN 58 HB2 ASN 58 7.551 3.360 6.954 481 2HB ASN 58 HB1 ASN 58 8.031 1.839 6.204 482 1HD2 ASN 58 HD21 ASN 58 8.720 0.859 8.006 483 2HD2 ASN 58 HD22 ASN 58 10.131 1.347 8.897 484 H LYS 59 HN LYS 59 9.307 1.320 4.199 485 HA LYS 59 HA LYS 59 12.106 1.346 4.655 486 1HB LYS 59 HB2 LYS 59 12.139 -0.771 3.408 487 2HB LYS 59 HB1 LYS 59 10.935 -0.732 4.683 488 1HG LYS 59 HG2 LYS 59 9.890 -1.799 2.906 489 2HG LYS 59 HG1 LYS 59 9.263 -0.153 2.882 490 1HD LYS 59 HD2 LYS 59 10.162 0.291 0.882 491 2HD LYS 59 HD1 LYS 59 11.674 -0.533 1.274 492 1HE LYS 59 HE2 LYS 59 9.104 -1.926 0.537 493 2HE LYS 59 HE1 LYS 59 10.405 -1.568 -0.600 494 1HZ LYS 59 HZ1 LYS 59 11.893 -2.875 0.914 495 2HZ LYS 59 HZ2 LYS 59 10.704 -3.786 0.127 496 3HZ LYS 59 HZ3 LYS 59 10.511 -3.375 1.757 497 H LEU 60 HN LEU 60 10.099 2.389 2.045 498 HA LEU 60 HA LEU 60 12.243 2.719 0.167 499 1HB LEU 60 HB2 LEU 60 9.408 3.675 0.323 500 2HB LEU 60 HB1 LEU 60 10.498 4.340 -0.877 501 HG LEU 60 HG LEU 60 9.788 1.410 -0.611 502 1HD1 LEU 60 HD11 LEU 60 7.910 2.782 -1.387 503 2HD1 LEU 60 HD12 LEU 60 8.537 1.745 -2.667 504 3HD1 LEU 60 HD13 LEU 60 8.933 3.466 -2.652 505 1HD2 LEU 60 HD21 LEU 60 12.025 1.734 -1.472 506 2HD2 LEU 60 HD22 LEU 60 11.434 2.920 -2.636 507 3HD2 LEU 60 HD23 LEU 60 10.951 1.230 -2.779 508 H LEU 61 HN LEU 61 10.611 4.745 2.523 509 HA LEU 61 HA LEU 61 11.973 7.151 1.855 510 1HB LEU 61 HB2 LEU 61 9.846 7.251 2.935 511 2HB LEU 61 HB1 LEU 61 10.393 6.234 4.248 512 HG LEU 61 HG LEU 61 11.804 8.019 5.089 513 1HD1 LEU 61 HD11 LEU 61 10.712 9.660 2.801 514 2HD1 LEU 61 HD12 LEU 61 12.371 9.086 2.961 515 3HD1 LEU 61 HD13 LEU 61 11.731 10.259 4.111 516 1HD2 LEU 61 HD21 LEU 61 8.986 8.930 4.522 517 2HD2 LEU 61 HD22 LEU 61 10.042 9.560 5.789 518 3HD2 LEU 61 HD23 LEU 61 9.494 7.884 5.849 519 H SER 62 HN SER 62 12.462 4.628 4.265 520 HA SER 62 HA SER 62 14.593 5.971 5.604 521 1HB SER 62 HB2 SER 62 13.165 4.335 6.746 522 2HB SER 62 HB1 SER 62 13.749 3.062 5.677 523 HG SER 62 HG SER 62 15.260 4.555 7.562 524 H ARG 63 HN ARG 63 14.501 3.223 3.318 525 HA ARG 63 HA ARG 63 17.428 3.206 3.347 526 1HB ARG 63 HB2 ARG 63 15.474 1.146 2.324 527 2HB ARG 63 HB1 ARG 63 17.221 0.963 2.369 528 1HG ARG 63 HG2 ARG 63 17.123 1.241 4.839 529 2HG ARG 63 HG1 ARG 63 15.364 1.222 4.717 530 1HD ARG 63 HD2 ARG 63 15.485 -1.006 3.683 531 2HD ARG 63 HD1 ARG 63 17.238 -0.982 3.873 532 HE ARG 63 HE ARG 63 15.596 -0.659 6.273 533 1HH1 ARG 63 HH11 ARG 63 17.722 -2.670 4.322 534 2HH1 ARG 63 HH12 ARG 63 17.964 -3.838 5.590 535 1HH2 ARG 63 HH21 ARG 63 15.921 -2.223 7.920 536 2HH2 ARG 63 HH22 ARG 63 16.932 -3.601 7.598 537 H ALA 64 HN ALA 64 14.821 4.125 1.346 538 HA ALA 64 HA ALA 64 14.655 4.860 -0.800 539 1HB ALA 64 HB1 ALA 64 16.195 6.527 0.095 540 2HB ALA 64 HB2 ALA 64 16.522 6.206 -1.609 541 3HB ALA 64 HB3 ALA 64 17.567 5.517 -0.366 542 H ASN 65 HN ASN 65 14.289 2.719 -1.614 543 HA ASN 65 HA ASN 65 16.506 1.736 -3.275 544 1HB ASN 65 HB2 ASN 65 15.697 -0.577 -2.916 545 2HB ASN 65 HB1 ASN 65 16.225 0.181 -1.420 546 1HD2 ASN 65 HD21 ASN 65 14.701 0.733 0.138 547 2HD2 ASN 65 HD22 ASN 65 13.102 0.080 0.129 548 H GLY 66 HN GLY 66 15.573 0.180 -5.026 549 1HA GLY 66 HA2 GLY 66 12.923 0.983 -5.933 550 2HA GLY 66 HA1 GLY 66 14.277 1.447 -6.954 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -13.295 18.261 -3.368 2 2H MET 1 HT2 MET 1 -13.871 18.409 -4.954 3 3H MET 1 HT3 MET 1 -12.256 18.787 -4.600 4 HA MET 1 HA MET 1 -13.478 16.101 -4.361 5 1HB MET 1 HB2 MET 1 -11.689 17.327 -6.456 6 2HB MET 1 HB1 MET 1 -11.856 15.588 -6.258 7 1HG MET 1 HG2 MET 1 -14.090 17.504 -6.889 8 2HG MET 1 HG1 MET 1 -13.272 16.458 -8.048 9 1HE MET 1 HE1 MET 1 -13.323 13.759 -7.860 10 2HE MET 1 HE2 MET 1 -14.263 12.896 -6.643 11 3HE MET 1 HE3 MET 1 -12.859 13.848 -6.159 12 H GLN 2 HN GLN 2 -12.598 15.723 -2.316 13 HA GLN 2 HA GLN 2 -9.894 14.811 -2.363 14 1HB GLN 2 HB2 GLN 2 -9.692 17.332 -1.998 15 2HB GLN 2 HB1 GLN 2 -10.442 17.062 -0.430 16 1HG GLN 2 HG2 GLN 2 -8.057 17.169 -0.180 17 2HG GLN 2 HG1 GLN 2 -8.616 15.533 0.162 18 1HE2 GLN 2 HE21 GLN 2 -8.415 16.736 -3.096 19 2HE2 GLN 2 HE22 GLN 2 -7.057 15.779 -3.581 20 H HIS 3 HN HIS 3 -10.331 12.901 -1.472 21 HA HIS 3 HA HIS 3 -11.866 12.851 1.045 22 1HB HIS 3 HB2 HIS 3 -12.724 11.447 -0.863 23 2HB HIS 3 HB1 HIS 3 -11.235 10.515 -0.780 24 HD1 HIS 3 HD1 HIS 3 -14.511 11.018 0.899 25 HD2 HIS 3 HD2 HIS 3 -11.039 8.794 1.467 26 HE1 HIS 3 HE1 HIS 3 -15.083 9.292 2.639 27 HE2 HIS 3 HE2 HIS 3 -13.000 7.901 2.902 28 H GLU 4 HN GLU 4 -10.731 12.559 2.843 29 HA GLU 4 HA GLU 4 -7.927 11.748 2.559 30 1HB GLU 4 HB2 GLU 4 -9.362 13.422 4.606 31 2HB GLU 4 HB1 GLU 4 -7.751 12.782 4.894 32 1HG GLU 4 HG2 GLU 4 -8.471 14.518 2.549 33 2HG GLU 4 HG1 GLU 4 -7.809 15.126 4.067 34 H LEU 5 HN LEU 5 -7.138 10.018 3.531 35 HA LEU 5 HA LEU 5 -8.853 8.601 5.447 36 1HB LEU 5 HB2 LEU 5 -7.387 6.571 4.664 37 2HB LEU 5 HB1 LEU 5 -8.812 7.055 3.773 38 HG LEU 5 HG LEU 5 -7.414 8.194 2.117 39 1HD1 LEU 5 HD11 LEU 5 -4.993 7.949 2.142 40 2HD1 LEU 5 HD12 LEU 5 -5.082 7.135 3.705 41 3HD1 LEU 5 HD13 LEU 5 -5.553 8.830 3.564 42 1HD2 LEU 5 HD21 LEU 5 -6.414 5.383 2.587 43 2HD2 LEU 5 HD22 LEU 5 -6.537 6.244 1.052 44 3HD2 LEU 5 HD23 LEU 5 -8.001 5.771 1.914 45 H GLN 6 HN GLN 6 -7.736 7.359 7.073 46 HA GLN 6 HA GLN 6 -5.237 8.677 7.884 47 1HB GLN 6 HB2 GLN 6 -5.874 8.131 10.179 48 2HB GLN 6 HB1 GLN 6 -7.105 9.089 9.382 49 1HG GLN 6 HG2 GLN 6 -8.450 7.103 9.036 50 2HG GLN 6 HG1 GLN 6 -7.193 6.118 9.795 51 1HE2 GLN 6 HE21 GLN 6 -6.742 6.409 11.972 52 2HE2 GLN 6 HE22 GLN 6 -7.925 7.074 13.057 53 HA PRO 7 HA PRO 7 -2.445 5.260 8.046 54 1HB PRO 7 HB2 PRO 7 -3.257 4.938 10.921 55 2HB PRO 7 HB1 PRO 7 -1.652 4.781 10.187 56 1HG PRO 7 HG2 PRO 7 -2.398 7.045 11.402 57 2HG PRO 7 HG1 PRO 7 -1.391 7.062 9.944 58 1HD PRO 7 HD2 PRO 7 -4.182 7.894 10.287 59 2HD PRO 7 HD1 PRO 7 -3.048 8.288 8.984 60 H ASP 8 HN ASP 8 -5.250 4.400 10.132 61 HA ASP 8 HA ASP 8 -5.299 1.830 8.705 62 1HB ASP 8 HB2 ASP 8 -5.273 1.790 11.209 63 2HB ASP 8 HB1 ASP 8 -6.838 2.594 11.191 64 H SER 9 HN SER 9 -6.410 2.031 6.915 65 HA SER 9 HA SER 9 -9.185 2.692 6.920 66 1HB SER 9 HB2 SER 9 -8.040 4.962 6.911 67 2HB SER 9 HB1 SER 9 -7.371 4.533 5.337 68 HG SER 9 HG SER 9 -9.763 5.545 5.892 69 H LEU 10 HN LEU 10 -9.858 2.856 4.424 70 HA LEU 10 HA LEU 10 -8.651 0.432 3.292 71 1HB LEU 10 HB2 LEU 10 -11.406 1.586 2.844 72 2HB LEU 10 HB1 LEU 10 -10.806 0.072 2.193 73 HG LEU 10 HG LEU 10 -11.232 0.676 5.122 74 1HD1 LEU 10 HD11 LEU 10 -13.047 -0.963 4.954 75 2HD1 LEU 10 HD12 LEU 10 -12.777 -1.079 3.215 76 3HD1 LEU 10 HD13 LEU 10 -13.332 0.438 3.923 77 1HD2 LEU 10 HD21 LEU 10 -9.369 -0.856 4.770 78 2HD2 LEU 10 HD22 LEU 10 -10.386 -1.873 3.749 79 3HD2 LEU 10 HD23 LEU 10 -10.754 -1.699 5.466 80 H VAL 11 HN VAL 11 -7.182 1.020 1.860 81 HA VAL 11 HA VAL 11 -7.833 3.008 -0.198 82 HB VAL 11 HB VAL 11 -5.520 3.149 -0.671 83 1HG1 VAL 11 HG11 VAL 11 -4.421 3.497 1.509 84 2HG1 VAL 11 HG12 VAL 11 -5.808 2.741 2.295 85 3HG1 VAL 11 HG13 VAL 11 -6.012 4.246 1.400 86 1HG2 VAL 11 HG21 VAL 11 -5.037 0.777 -0.825 87 2HG2 VAL 11 HG22 VAL 11 -5.118 0.634 0.933 88 3HG2 VAL 11 HG23 VAL 11 -3.842 1.592 0.183 89 H ASP 12 HN ASP 12 -7.099 2.347 -2.467 90 HA ASP 12 HA ASP 12 -7.640 -0.514 -2.867 91 1HB ASP 12 HB2 ASP 12 -9.611 0.783 -3.503 92 2HB ASP 12 HB1 ASP 12 -8.628 1.790 -4.560 93 H LEU 13 HN LEU 13 -6.895 -1.339 -5.017 94 HA LEU 13 HA LEU 13 -4.156 -1.057 -5.310 95 1HB LEU 13 HB2 LEU 13 -5.469 -2.967 -6.127 96 2HB LEU 13 HB1 LEU 13 -6.163 -1.952 -7.376 97 HG LEU 13 HG LEU 13 -3.913 -1.661 -8.360 98 1HD1 LEU 13 HD11 LEU 13 -3.095 -3.649 -6.247 99 2HD1 LEU 13 HD12 LEU 13 -2.567 -1.969 -6.371 100 3HD1 LEU 13 HD13 LEU 13 -2.098 -3.136 -7.607 101 1HD2 LEU 13 HD21 LEU 13 -4.794 -4.518 -7.990 102 2HD2 LEU 13 HD22 LEU 13 -3.717 -3.932 -9.258 103 3HD2 LEU 13 HD23 LEU 13 -5.397 -3.391 -9.205 104 H LYS 14 HN LYS 14 -6.779 0.532 -7.061 105 HA LYS 14 HA LYS 14 -5.317 1.919 -9.001 106 1HB LYS 14 HB2 LYS 14 -7.804 1.771 -8.862 107 2HB LYS 14 HB1 LYS 14 -7.757 2.831 -7.458 108 1HG LYS 14 HG2 LYS 14 -6.587 3.783 -10.036 109 2HG LYS 14 HG1 LYS 14 -8.339 3.774 -9.830 110 1HD LYS 14 HD2 LYS 14 -7.985 5.065 -7.700 111 2HD LYS 14 HD1 LYS 14 -6.291 5.223 -8.163 112 1HE LYS 14 HE2 LYS 14 -8.648 6.202 -9.773 113 2HE LYS 14 HE1 LYS 14 -7.607 7.207 -8.765 114 1HZ LYS 14 HZ1 LYS 14 -6.858 5.750 -11.239 115 2HZ LYS 14 HZ2 LYS 14 -5.723 6.463 -10.200 116 3HZ LYS 14 HZ3 LYS 14 -6.874 7.426 -10.984 117 H PHE 15 HN PHE 15 -6.288 2.848 -5.761 118 HA PHE 15 HA PHE 15 -5.213 5.416 -5.728 119 1HB PHE 15 HB2 PHE 15 -6.889 4.697 -4.165 120 2HB PHE 15 HB1 PHE 15 -5.823 3.467 -3.518 121 HD1 PHE 15 HD1 PHE 15 -6.261 7.125 -3.867 122 HD2 PHE 15 HD2 PHE 15 -4.398 3.967 -1.712 123 HE1 PHE 15 HE1 PHE 15 -5.475 8.742 -2.189 124 HE2 PHE 15 HE2 PHE 15 -3.608 5.579 -0.027 125 HZ PHE 15 HZ PHE 15 -4.146 7.971 -0.267 126 H ILE 16 HN ILE 16 -3.832 2.335 -4.574 127 HA ILE 16 HA ILE 16 -1.458 3.241 -3.497 128 HB ILE 16 HB ILE 16 -1.412 0.770 -5.198 129 1HG1 ILE 16 HG12 ILE 16 -2.640 0.977 -2.432 130 2HG1 ILE 16 HG11 ILE 16 -3.548 0.725 -3.918 131 1HG2 ILE 16 HG21 ILE 16 0.018 -0.005 -3.339 132 2HG2 ILE 16 HG22 ILE 16 -0.180 1.564 -2.562 133 3HG2 ILE 16 HG23 ILE 16 0.640 1.447 -4.119 134 1HD1 ILE 16 HD11 ILE 16 -2.410 -1.405 -4.256 135 2HD1 ILE 16 HD12 ILE 16 -3.252 -1.350 -2.707 136 3HD1 ILE 16 HD13 ILE 16 -1.501 -1.152 -2.766 137 H MET 17 HN MET 17 -2.295 2.831 -6.884 138 HA MET 17 HA MET 17 0.320 3.147 -7.928 139 1HB MET 17 HB2 MET 17 -2.322 3.845 -9.225 140 2HB MET 17 HB1 MET 17 -0.788 3.608 -10.055 141 1HG MET 17 HG2 MET 17 -0.755 1.277 -9.381 142 2HG MET 17 HG1 MET 17 -2.254 1.503 -8.481 143 1HE MET 17 HE1 MET 17 -3.571 -0.675 -11.375 144 2HE MET 17 HE2 MET 17 -3.561 -0.394 -9.633 145 3HE MET 17 HE3 MET 17 -2.069 -0.841 -10.462 146 H ALA 18 HN ALA 18 -2.167 5.369 -6.915 147 HA ALA 18 HA ALA 18 -0.911 7.744 -7.878 148 1HB ALA 18 HB1 ALA 18 -3.313 7.640 -7.380 149 2HB ALA 18 HB2 ALA 18 -2.509 8.930 -6.485 150 3HB ALA 18 HB3 ALA 18 -2.940 7.427 -5.670 151 H ASP 19 HN ASP 19 -0.672 5.816 -4.963 152 HA ASP 19 HA ASP 19 0.641 7.625 -3.274 153 1HB ASP 19 HB2 ASP 19 0.875 4.615 -3.491 154 2HB ASP 19 HB1 ASP 19 1.691 5.544 -2.244 155 H THR 20 HN THR 20 1.831 5.625 -5.895 156 HA THR 20 HA THR 20 4.549 6.630 -5.379 157 HB THR 20 HB THR 20 5.317 4.464 -6.446 158 HG1 THR 20 HG1 THR 20 2.746 3.499 -5.713 159 1HG2 THR 20 HG21 THR 20 5.082 3.207 -4.376 160 2HG2 THR 20 HG22 THR 20 3.792 4.294 -3.853 161 3HG2 THR 20 HG23 THR 20 5.439 4.903 -4.039 162 H GLY 21 HN GLY 21 2.678 5.074 -7.971 163 1HA GLY 21 HA2 GLY 21 2.481 6.212 -10.144 164 2HA GLY 21 HA1 GLY 21 4.133 6.771 -9.904 165 H PHE 22 HN PHE 22 3.239 3.580 -8.936 166 HA PHE 22 HA PHE 22 4.739 2.482 -11.224 167 1HB PHE 22 HB2 PHE 22 4.817 1.592 -8.332 168 2HB PHE 22 HB1 PHE 22 5.567 0.719 -9.666 169 HD1 PHE 22 HD1 PHE 22 5.852 3.476 -7.353 170 HD2 PHE 22 HD2 PHE 22 7.463 1.740 -10.887 171 HE1 PHE 22 HE1 PHE 22 7.890 4.829 -7.081 172 HE2 PHE 22 HE2 PHE 22 9.507 3.086 -10.621 173 HZ PHE 22 HZ PHE 22 9.723 4.627 -8.698 174 H GLY 23 HN GLY 23 4.337 0.056 -11.449 175 1HA GLY 23 HA2 GLY 23 1.470 -0.380 -11.524 176 2HA GLY 23 HA1 GLY 23 2.709 -1.427 -12.202 177 H LYS 24 HN LYS 24 0.597 -2.529 -10.904 178 HA LYS 24 HA LYS 24 0.611 -2.857 -8.189 179 1HB LYS 24 HB2 LYS 24 -0.548 -4.965 -8.508 180 2HB LYS 24 HB1 LYS 24 -1.135 -3.755 -9.641 181 1HG LYS 24 HG2 LYS 24 0.121 -4.761 -11.432 182 2HG LYS 24 HG1 LYS 24 0.855 -5.912 -10.313 183 1HD LYS 24 HD2 LYS 24 -0.914 -7.035 -11.455 184 2HD LYS 24 HD1 LYS 24 -1.446 -6.747 -9.797 185 1HE LYS 24 HE2 LYS 24 -3.252 -6.247 -11.312 186 2HE LYS 24 HE1 LYS 24 -2.679 -4.751 -10.580 187 1HZ LYS 24 HZ1 LYS 24 -1.802 -5.699 -13.250 188 2HZ LYS 24 HZ2 LYS 24 -1.547 -4.168 -12.562 189 3HZ LYS 24 HZ3 LYS 24 -3.109 -4.645 -13.020 190 H THR 25 HN THR 25 2.769 -4.450 -10.483 191 HA THR 25 HA THR 25 3.716 -6.510 -8.882 192 HB THR 25 HB THR 25 4.329 -6.436 -11.207 193 HG1 THR 25 HG1 THR 25 5.921 -7.207 -9.471 194 1HG2 THR 25 HG21 THR 25 5.902 -3.947 -10.561 195 2HG2 THR 25 HG22 THR 25 4.446 -4.040 -11.553 196 3HG2 THR 25 HG23 THR 25 5.937 -4.807 -12.102 197 H PHE 26 HN PHE 26 4.955 -3.174 -9.117 198 HA PHE 26 HA PHE 26 7.017 -3.455 -7.235 199 1HB PHE 26 HB2 PHE 26 7.187 -1.564 -8.598 200 2HB PHE 26 HB1 PHE 26 5.494 -1.135 -8.385 201 HD1 PHE 26 HD1 PHE 26 4.773 0.168 -6.545 202 HD2 PHE 26 HD2 PHE 26 8.841 -1.013 -6.874 203 HE1 PHE 26 HE1 PHE 26 5.374 1.783 -4.799 204 HE2 PHE 26 HE2 PHE 26 9.456 0.597 -5.115 205 HZ PHE 26 HZ PHE 26 7.721 1.998 -4.070 206 H ILE 27 HN ILE 27 3.625 -2.574 -6.968 207 HA ILE 27 HA ILE 27 3.591 -1.698 -4.320 208 HB ILE 27 HB ILE 27 1.395 -3.132 -5.814 209 1HG1 ILE 27 HG12 ILE 27 1.908 -0.162 -5.510 210 2HG1 ILE 27 HG11 ILE 27 2.271 -1.097 -6.956 211 1HG2 ILE 27 HG21 ILE 27 0.957 -3.120 -3.443 212 2HG2 ILE 27 HG22 ILE 27 -0.108 -1.958 -4.236 213 3HG2 ILE 27 HG23 ILE 27 1.311 -1.394 -3.348 214 1HD1 ILE 27 HD11 ILE 27 0.214 0.051 -7.293 215 2HD1 ILE 27 HD12 ILE 27 -0.434 -0.554 -5.768 216 3HD1 ILE 27 HD13 ILE 27 -0.146 -1.667 -7.105 217 H TYR 28 HN TYR 28 2.562 -4.904 -5.526 218 HA TYR 28 HA TYR 28 2.110 -5.943 -2.968 219 1HB TYR 28 HB2 TYR 28 2.693 -7.328 -5.588 220 2HB TYR 28 HB1 TYR 28 2.259 -8.196 -4.122 221 HD1 TYR 28 HD1 TYR 28 0.944 -5.217 -6.003 222 HD2 TYR 28 HD2 TYR 28 0.061 -8.902 -4.060 223 HE1 TYR 28 HE1 TYR 28 -1.428 -4.947 -6.572 224 HE2 TYR 28 HE2 TYR 28 -2.312 -8.636 -4.629 225 HH TYR 28 HH TYR 28 -3.885 -7.115 -5.331 226 H ASP 29 HN ASP 29 5.037 -5.996 -4.966 227 HA ASP 29 HA ASP 29 6.510 -7.689 -3.215 228 1HB ASP 29 HB2 ASP 29 7.227 -7.315 -5.523 229 2HB ASP 29 HB1 ASP 29 7.512 -5.610 -5.173 230 H ARG 30 HN ARG 30 6.450 -4.166 -3.632 231 HA ARG 30 HA ARG 30 8.440 -3.669 -1.700 232 1HB ARG 30 HB2 ARG 30 7.613 -2.149 -3.597 233 2HB ARG 30 HB1 ARG 30 6.335 -1.676 -2.483 234 1HG ARG 30 HG2 ARG 30 7.807 -0.078 -1.941 235 2HG ARG 30 HG1 ARG 30 8.449 -1.341 -0.885 236 1HD ARG 30 HD2 ARG 30 9.490 -0.298 -3.478 237 2HD ARG 30 HD1 ARG 30 10.334 -0.564 -1.954 238 HE ARG 30 HE ARG 30 9.881 -3.034 -2.545 239 1HH1 ARG 30 HH11 ARG 30 10.791 -0.501 -4.765 240 2HH1 ARG 30 HH12 ARG 30 11.492 -1.577 -5.929 241 1HH2 ARG 30 HH21 ARG 30 10.738 -4.493 -4.120 242 2HH2 ARG 30 HH22 ARG 30 11.465 -3.837 -5.565 243 H ILE 31 HN ILE 31 4.907 -3.697 -1.517 244 HA ILE 31 HA ILE 31 4.841 -2.632 1.119 245 HB ILE 31 HB ILE 31 2.743 -3.937 -0.601 246 1HG1 ILE 31 HG12 ILE 31 1.627 -1.729 -0.199 247 2HG1 ILE 31 HG11 ILE 31 3.051 -1.221 0.714 248 1HG2 ILE 31 HG21 ILE 31 2.323 -3.038 2.245 249 2HG2 ILE 31 HG22 ILE 31 2.413 -4.723 1.729 250 3HG2 ILE 31 HG23 ILE 31 1.106 -3.693 1.147 251 1HD1 ILE 31 HD11 ILE 31 4.404 -1.472 -1.312 252 2HD1 ILE 31 HD12 ILE 31 3.093 -0.311 -1.516 253 3HD1 ILE 31 HD13 ILE 31 2.955 -1.925 -2.212 254 H LYS 32 HN LYS 32 4.859 -5.956 -0.187 255 HA LYS 32 HA LYS 32 4.636 -7.297 2.269 256 1HB LYS 32 HB2 LYS 32 6.314 -8.007 -0.138 257 2HB LYS 32 HB1 LYS 32 6.150 -9.051 1.263 258 1HG LYS 32 HG2 LYS 32 3.642 -8.953 0.823 259 2HG LYS 32 HG1 LYS 32 4.078 -8.293 -0.757 260 1HD LYS 32 HD2 LYS 32 5.753 -10.394 -0.653 261 2HD LYS 32 HD1 LYS 32 4.429 -11.018 0.330 262 1HE LYS 32 HE2 LYS 32 4.003 -11.693 -1.901 263 2HE LYS 32 HE1 LYS 32 2.880 -10.380 -1.546 264 1HZ LYS 32 HZ1 LYS 32 4.342 -8.859 -2.716 265 2HZ LYS 32 HZ2 LYS 32 3.895 -10.138 -3.736 266 3HZ LYS 32 HZ3 LYS 32 5.441 -10.108 -3.039 267 H SER 33 HN SER 33 7.491 -6.009 0.642 268 HA SER 33 HA SER 33 9.360 -6.770 2.614 269 1HB SER 33 HB2 SER 33 9.889 -6.181 0.244 270 2HB SER 33 HB1 SER 33 9.548 -4.494 0.633 271 HG SER 33 HG SER 33 11.592 -6.141 1.714 272 H GLY 34 HN GLY 34 7.189 -4.076 2.352 273 1HA GLY 34 HA2 GLY 34 8.442 -2.223 4.037 274 2HA GLY 34 HA1 GLY 34 6.708 -2.344 3.775 275 H ASP 35 HN ASP 35 5.616 -4.150 4.994 276 HA ASP 35 HA ASP 35 6.974 -5.164 7.330 277 1HB ASP 35 HB2 ASP 35 6.288 -2.833 7.999 278 2HB ASP 35 HB1 ASP 35 4.611 -3.322 7.781 279 H LEU 36 HN LEU 36 5.542 -6.146 4.985 280 HA LEU 36 HA LEU 36 4.049 -7.729 4.350 281 1HB LEU 36 HB2 LEU 36 3.883 -8.331 7.306 282 2HB LEU 36 HB1 LEU 36 3.288 -9.367 6.023 283 HG LEU 36 HG LEU 36 6.178 -8.649 6.523 284 1HD1 LEU 36 HD11 LEU 36 5.254 -10.205 8.170 285 2HD1 LEU 36 HD12 LEU 36 6.435 -10.991 7.122 286 3HD1 LEU 36 HD13 LEU 36 4.710 -11.261 6.866 287 1HD2 LEU 36 HD21 LEU 36 6.658 -10.319 4.772 288 2HD2 LEU 36 HD22 LEU 36 5.788 -8.917 4.151 289 3HD2 LEU 36 HD23 LEU 36 4.930 -10.433 4.434 290 HA PRO 37 HA PRO 37 0.599 -4.909 4.522 291 1HB PRO 37 HB2 PRO 37 -0.989 -6.467 2.832 292 2HB PRO 37 HB1 PRO 37 0.119 -5.188 2.334 293 1HG PRO 37 HG2 PRO 37 0.512 -8.135 2.344 294 2HG PRO 37 HG1 PRO 37 1.129 -6.914 1.215 295 1HD PRO 37 HD2 PRO 37 2.698 -8.051 3.073 296 2HD PRO 37 HD1 PRO 37 2.897 -6.354 2.588 297 H LYS 38 HN LYS 38 -0.899 -4.726 5.983 298 HA LYS 38 HA LYS 38 -2.036 -7.088 7.230 299 1HB LYS 38 HB2 LYS 38 -2.449 -4.159 7.861 300 2HB LYS 38 HB1 LYS 38 -3.128 -5.489 8.784 301 1HG LYS 38 HG2 LYS 38 -1.256 -4.734 9.997 302 2HG LYS 38 HG1 LYS 38 -0.742 -6.231 9.211 303 1HD LYS 38 HD2 LYS 38 0.360 -5.000 7.481 304 2HD LYS 38 HD1 LYS 38 -0.245 -3.469 8.120 305 1HE LYS 38 HE2 LYS 38 1.967 -3.574 8.863 306 2HE LYS 38 HE1 LYS 38 1.012 -4.064 10.258 307 1HZ LYS 38 HZ1 LYS 38 3.019 -5.434 9.806 308 2HZ LYS 38 HZ2 LYS 38 2.273 -5.988 8.389 309 3HZ LYS 38 HZ3 LYS 38 1.580 -6.324 9.897 310 H ALA 39 HN ALA 39 -2.656 -4.977 4.708 311 HA ALA 39 HA ALA 39 -5.277 -4.557 4.370 312 1HB ALA 39 HB1 ALA 39 -3.472 -5.789 2.301 313 2HB ALA 39 HB2 ALA 39 -3.567 -4.074 2.703 314 3HB ALA 39 HB3 ALA 39 -4.956 -4.890 1.986 315 H LYS 40 HN LYS 40 -7.004 -5.650 3.247 316 HA LYS 40 HA LYS 40 -7.057 -8.497 3.973 317 1HB LYS 40 HB2 LYS 40 -9.273 -6.448 3.902 318 2HB LYS 40 HB1 LYS 40 -9.577 -8.173 4.009 319 1HG LYS 40 HG2 LYS 40 -9.715 -7.319 6.205 320 2HG LYS 40 HG1 LYS 40 -8.183 -8.186 6.102 321 1HD LYS 40 HD2 LYS 40 -7.064 -5.994 5.682 322 2HD LYS 40 HD1 LYS 40 -8.608 -5.201 5.993 323 1HE LYS 40 HE2 LYS 40 -7.204 -5.177 7.981 324 2HE LYS 40 HE1 LYS 40 -8.647 -6.154 8.242 325 1HZ LYS 40 HZ1 LYS 40 -6.677 -7.232 9.125 326 2HZ LYS 40 HZ2 LYS 40 -5.937 -7.198 7.601 327 3HZ LYS 40 HZ3 LYS 40 -7.326 -8.144 7.850 328 H VAL 41 HN VAL 41 -6.168 -9.111 1.992 329 HA VAL 41 HA VAL 41 -7.688 -8.548 -0.443 330 HB VAL 41 HB VAL 41 -5.094 -10.062 -0.053 331 1HG1 VAL 41 HG11 VAL 41 -6.454 -9.126 -2.575 332 2HG1 VAL 41 HG12 VAL 41 -6.267 -10.799 -2.045 333 3HG1 VAL 41 HG13 VAL 41 -4.847 -9.848 -2.486 334 1HG2 VAL 41 HG21 VAL 41 -4.832 -7.717 0.505 335 2HG2 VAL 41 HG22 VAL 41 -5.598 -7.243 -1.012 336 3HG2 VAL 41 HG23 VAL 41 -4.036 -8.062 -1.031 337 H ILE 42 HN ILE 42 -9.172 -9.959 -1.178 338 HA ILE 42 HA ILE 42 -9.118 -12.667 -0.039 339 HB ILE 42 HB ILE 42 -10.917 -11.287 0.887 340 1HG1 ILE 42 HG12 ILE 42 -12.811 -12.826 0.382 341 2HG1 ILE 42 HG11 ILE 42 -11.849 -13.524 -0.918 342 1HG2 ILE 42 HG21 ILE 42 -12.794 -10.581 -0.521 343 2HG2 ILE 42 HG22 ILE 42 -11.903 -11.110 -1.948 344 3HG2 ILE 42 HG23 ILE 42 -11.282 -9.786 -0.961 345 1HD1 ILE 42 HD11 ILE 42 -11.788 -14.888 1.096 346 2HD1 ILE 42 HD12 ILE 42 -11.112 -13.531 1.996 347 3HD1 ILE 42 HD13 ILE 42 -10.190 -14.265 0.684 348 H HIS 43 HN HIS 43 -9.080 -10.876 -2.929 349 HA HIS 43 HA HIS 43 -9.017 -13.328 -4.440 350 1HB HIS 43 HB2 HIS 43 -10.752 -12.738 -6.065 351 2HB HIS 43 HB1 HIS 43 -11.425 -12.927 -4.454 352 HD1 HIS 43 HD1 HIS 43 -11.461 -10.715 -7.298 353 HD2 HIS 43 HD2 HIS 43 -11.923 -10.278 -3.191 354 HE1 HIS 43 HE1 HIS 43 -12.616 -8.508 -6.980 355 HE2 HIS 43 HE2 HIS 43 -12.716 -8.177 -4.485 356 H GLY 44 HN GLY 44 -6.850 -12.252 -4.324 357 1HA GLY 44 HA2 GLY 44 -5.099 -11.317 -5.487 358 2HA GLY 44 HA1 GLY 44 -6.205 -11.017 -6.817 359 H ARG 45 HN ARG 45 -8.033 -9.438 -5.255 360 HA ARG 45 HA ARG 45 -6.523 -7.283 -4.042 361 1HB ARG 45 HB2 ARG 45 -7.685 -5.548 -5.381 362 2HB ARG 45 HB1 ARG 45 -6.633 -6.549 -6.372 363 1HG ARG 45 HG2 ARG 45 -8.499 -7.750 -7.258 364 2HG ARG 45 HG1 ARG 45 -9.604 -6.970 -6.128 365 1HD ARG 45 HD2 ARG 45 -8.017 -5.521 -8.240 366 2HD ARG 45 HD1 ARG 45 -9.690 -6.037 -8.434 367 HE ARG 45 HE ARG 45 -8.785 -4.053 -6.442 368 1HH1 ARG 45 HH11 ARG 45 -11.196 -5.299 -8.657 369 2HH1 ARG 45 HH12 ARG 45 -12.318 -4.006 -8.355 370 1HH2 ARG 45 HH21 ARG 45 -10.267 -2.337 -6.045 371 2HH2 ARG 45 HH22 ARG 45 -11.806 -2.355 -6.862 372 H ALA 46 HN ALA 46 -8.142 -5.685 -3.074 373 HA ALA 46 HA ALA 46 -10.884 -6.161 -2.966 374 1HB ALA 46 HB1 ALA 46 -9.439 -7.231 -0.539 375 2HB ALA 46 HB2 ALA 46 -10.337 -8.190 -1.717 376 3HB ALA 46 HB3 ALA 46 -11.184 -7.027 -0.697 377 H ARG 47 HN ARG 47 -9.124 -5.560 0.006 378 HA ARG 47 HA ARG 47 -9.180 -2.694 -0.498 379 1HB ARG 47 HB2 ARG 47 -10.082 -2.332 1.830 380 2HB ARG 47 HB1 ARG 47 -11.231 -2.952 0.657 381 1HG ARG 47 HG2 ARG 47 -10.823 -5.237 1.573 382 2HG ARG 47 HG1 ARG 47 -9.856 -4.482 2.844 383 1HD ARG 47 HD2 ARG 47 -11.779 -3.173 3.551 384 2HD ARG 47 HD1 ARG 47 -12.753 -3.879 2.260 385 HE ARG 47 HE ARG 47 -11.945 -6.057 3.586 386 1HH1 ARG 47 HH11 ARG 47 -13.385 -3.051 4.650 387 2HH1 ARG 47 HH12 ARG 47 -14.124 -3.745 6.060 388 1HH2 ARG 47 HH21 ARG 47 -12.929 -6.997 5.432 389 2HH2 ARG 47 HH22 ARG 47 -13.856 -5.992 6.513 390 H TRP 48 HN TRP 48 -7.339 -1.798 0.049 391 HA TRP 48 HA TRP 48 -5.426 -3.449 1.541 392 1HB TRP 48 HB2 TRP 48 -5.102 -2.425 -0.897 393 2HB TRP 48 HB1 TRP 48 -4.625 -1.001 0.018 394 HD1 TRP 48 HD1 TRP 48 -2.568 -1.547 1.907 395 HE1 TRP 48 HE1 TRP 48 -0.459 -2.969 1.529 396 HE3 TRP 48 HE3 TRP 48 -4.130 -4.250 -2.139 397 HZ2 TRP 48 HZ2 TRP 48 0.435 -4.956 -0.268 398 HZ3 TRP 48 HZ3 TRP 48 -2.584 -5.888 -3.131 399 HH2 TRP 48 HH2 TRP 48 -0.353 -6.233 -2.214 400 H LEU 49 HN LEU 49 -4.265 -2.536 3.288 401 HA LEU 49 HA LEU 49 -5.665 -0.364 4.576 402 1HB LEU 49 HB2 LEU 49 -3.496 -2.242 5.474 403 2HB LEU 49 HB1 LEU 49 -4.098 -0.934 6.461 404 HG LEU 49 HG LEU 49 -5.660 -3.324 5.501 405 1HD1 LEU 49 HD11 LEU 49 -5.890 -3.765 7.910 406 2HD1 LEU 49 HD12 LEU 49 -4.817 -2.404 8.242 407 3HD1 LEU 49 HD13 LEU 49 -4.213 -3.811 7.366 408 1HD2 LEU 49 HD21 LEU 49 -7.533 -2.402 6.785 409 2HD2 LEU 49 HD22 LEU 49 -7.080 -1.353 5.443 410 3HD2 LEU 49 HD23 LEU 49 -6.598 -0.936 7.087 411 H TYR 50 HN TYR 50 -4.916 1.642 4.819 412 HA TYR 50 HA TYR 50 -2.905 2.634 3.159 413 1HB TYR 50 HB2 TYR 50 -4.784 3.958 4.156 414 2HB TYR 50 HB1 TYR 50 -3.923 3.937 5.693 415 HD1 TYR 50 HD1 TYR 50 -3.660 5.049 2.157 416 HD2 TYR 50 HD2 TYR 50 -2.257 5.537 6.149 417 HE1 TYR 50 HE1 TYR 50 -2.408 7.056 1.474 418 HE2 TYR 50 HE2 TYR 50 -1.014 7.549 5.475 419 HH TYR 50 HH TYR 50 -1.444 9.011 2.355 420 H ARG 51 HN ARG 51 -2.828 1.671 6.546 421 HA ARG 51 HA ARG 51 -0.367 2.454 7.397 422 1HB ARG 51 HB2 ARG 51 -0.350 0.555 8.885 423 2HB ARG 51 HB1 ARG 51 -1.987 1.185 8.760 424 1HG ARG 51 HG2 ARG 51 -2.655 -0.599 7.351 425 2HG ARG 51 HG1 ARG 51 -0.987 -1.143 7.151 426 1HD ARG 51 HD2 ARG 51 -1.939 -2.619 8.705 427 2HD ARG 51 HD1 ARG 51 -0.965 -1.508 9.660 428 HE ARG 51 HE ARG 51 -3.842 -1.013 9.374 429 1HH1 ARG 51 HH11 ARG 51 -1.092 -1.828 11.376 430 2HH1 ARG 51 HH12 ARG 51 -1.971 -1.692 12.870 431 1HH2 ARG 51 HH21 ARG 51 -5.017 -0.850 11.311 432 2HH2 ARG 51 HH22 ARG 51 -4.213 -1.132 12.836 433 H ASP 52 HN ASP 52 -1.062 -0.314 5.298 434 HA ASP 52 HA ASP 52 1.501 -1.427 5.246 435 1HB ASP 52 HB2 ASP 52 -0.602 -1.434 3.072 436 2HB ASP 52 HB1 ASP 52 0.779 -2.526 3.166 437 H HIS 53 HN HIS 53 0.097 1.242 3.499 438 HA HIS 53 HA HIS 53 2.259 1.507 1.632 439 1HB HIS 53 HB2 HIS 53 0.190 3.553 2.503 440 2HB HIS 53 HB1 HIS 53 1.310 3.756 1.163 441 HD1 HIS 53 HD1 HIS 53 -1.013 4.112 -0.186 442 HD2 HIS 53 HD2 HIS 53 -0.157 0.250 1.137 443 HE1 HIS 53 HE1 HIS 53 -2.598 2.581 -1.425 444 HE2 HIS 53 HE2 HIS 53 -2.083 0.270 -0.576 445 H CYS 54 HN CYS 54 1.355 2.930 4.722 446 HA CYS 54 HA CYS 54 3.427 4.796 4.943 447 1HB CYS 54 HB2 CYS 54 1.456 4.692 6.456 448 2HB CYS 54 HB1 CYS 54 2.118 3.231 7.181 449 HG CYS 54 HG CYS 54 2.838 4.875 9.096 450 H GLU 55 HN GLU 55 3.265 1.387 5.961 451 HA GLU 55 HA GLU 55 5.824 1.297 7.126 452 1HB GLU 55 HB2 GLU 55 4.202 -0.941 5.908 453 2HB GLU 55 HB1 GLU 55 5.592 -1.143 6.971 454 1HG GLU 55 HG2 GLU 55 2.944 0.093 7.682 455 2HG GLU 55 HG1 GLU 55 3.568 -1.465 8.222 456 H PHE 56 HN PHE 56 4.680 0.363 3.891 457 HA PHE 56 HA PHE 56 7.191 -0.538 3.008 458 1HB PHE 56 HB2 PHE 56 6.070 -1.145 1.154 459 2HB PHE 56 HB1 PHE 56 4.632 -0.591 2.002 460 HD1 PHE 56 HD1 PHE 56 7.306 0.602 -0.270 461 HD2 PHE 56 HD2 PHE 56 3.296 1.020 1.058 462 HE1 PHE 56 HE1 PHE 56 6.908 2.235 -2.050 463 HE2 PHE 56 HE2 PHE 56 2.883 2.679 -0.714 464 HZ PHE 56 HZ PHE 56 4.694 3.294 -2.254 465 H LYS 57 HN LYS 57 5.558 2.589 2.535 466 HA LYS 57 HA LYS 57 7.557 3.885 1.081 467 1HB LYS 57 HB2 LYS 57 5.371 4.790 2.896 468 2HB LYS 57 HB1 LYS 57 6.550 5.963 2.329 469 1HG LYS 57 HG2 LYS 57 5.002 4.184 0.479 470 2HG LYS 57 HG1 LYS 57 4.428 5.774 0.996 471 1HD LYS 57 HD2 LYS 57 7.071 5.262 -0.371 472 2HD LYS 57 HD1 LYS 57 5.609 5.808 -1.198 473 1HE LYS 57 HE2 LYS 57 5.575 7.827 0.141 474 2HE LYS 57 HE1 LYS 57 6.968 7.266 1.063 475 1HZ LYS 57 HZ1 LYS 57 7.049 7.719 -1.866 476 2HZ LYS 57 HZ2 LYS 57 8.359 7.489 -0.809 477 3HZ LYS 57 HZ3 LYS 57 7.446 8.918 -0.733 478 H ASN 58 HN ASN 58 7.144 3.351 4.468 479 HA ASN 58 HA ASN 58 9.057 5.004 5.583 480 1HB ASN 58 HB2 ASN 58 7.449 3.795 6.889 481 2HB ASN 58 HB1 ASN 58 8.084 2.250 6.332 482 1HD2 ASN 58 HD21 ASN 58 8.418 1.520 8.362 483 2HD2 ASN 58 HD22 ASN 58 9.675 2.108 9.403 484 H LYS 59 HN LYS 59 9.411 1.784 4.146 485 HA LYS 59 HA LYS 59 12.168 1.557 4.867 486 1HB LYS 59 HB2 LYS 59 11.630 -0.573 4.489 487 2HB LYS 59 HB1 LYS 59 10.098 -0.088 3.779 488 1HG LYS 59 HG2 LYS 59 11.811 0.403 1.736 489 2HG LYS 59 HG1 LYS 59 12.564 -0.999 2.505 490 1HD LYS 59 HD2 LYS 59 10.357 -2.136 2.440 491 2HD LYS 59 HD1 LYS 59 9.727 -0.758 1.531 492 1HE LYS 59 HE2 LYS 59 10.333 -2.554 0.016 493 2HE LYS 59 HE1 LYS 59 11.402 -1.171 -0.222 494 1HZ LYS 59 HZ1 LYS 59 12.620 -3.277 -0.196 495 2HZ LYS 59 HZ2 LYS 59 12.057 -3.602 1.369 496 3HZ LYS 59 HZ3 LYS 59 13.096 -2.287 1.099 497 H LEU 60 HN LEU 60 10.365 2.562 2.008 498 HA LEU 60 HA LEU 60 12.677 2.813 0.324 499 1HB LEU 60 HB2 LEU 60 9.840 3.790 0.091 500 2HB LEU 60 HB1 LEU 60 11.063 4.210 -1.090 501 HG LEU 60 HG LEU 60 10.092 1.415 -0.457 502 1HD1 LEU 60 HD11 LEU 60 9.751 3.122 -2.914 503 2HD1 LEU 60 HD12 LEU 60 8.511 2.826 -1.696 504 3HD1 LEU 60 HD13 LEU 60 9.134 1.487 -2.660 505 1HD2 LEU 60 HD21 LEU 60 11.454 0.820 -2.472 506 2HD2 LEU 60 HD22 LEU 60 12.407 1.284 -1.058 507 3HD2 LEU 60 HD23 LEU 60 12.182 2.426 -2.385 508 H LEU 61 HN LEU 61 11.155 4.765 2.683 509 HA LEU 61 HA LEU 61 11.757 7.364 1.847 510 1HB LEU 61 HB2 LEU 61 10.290 6.550 3.756 511 2HB LEU 61 HB1 LEU 61 11.756 6.324 4.679 512 HG LEU 61 HG LEU 61 10.634 8.337 5.331 513 1HD1 LEU 61 HD11 LEU 61 13.136 9.015 3.818 514 2HD1 LEU 61 HD12 LEU 61 13.061 8.360 5.453 515 3HD1 LEU 61 HD13 LEU 61 12.415 9.966 5.116 516 1HD2 LEU 61 HD21 LEU 61 10.293 10.206 3.819 517 2HD2 LEU 61 HD22 LEU 61 9.449 8.768 3.245 518 3HD2 LEU 61 HD23 LEU 61 10.963 9.263 2.488 519 H SER 62 HN SER 62 13.459 5.380 4.218 520 HA SER 62 HA SER 62 15.782 7.074 4.137 521 1HB SER 62 HB2 SER 62 16.690 5.339 5.744 522 2HB SER 62 HB1 SER 62 15.193 6.123 6.252 523 HG SER 62 HG SER 62 14.885 3.958 6.562 524 H ARG 63 HN ARG 63 14.804 4.044 2.742 525 HA ARG 63 HA ARG 63 17.453 3.671 1.560 526 1HB ARG 63 HB2 ARG 63 15.541 1.634 2.676 527 2HB ARG 63 HB1 ARG 63 17.019 1.248 1.805 528 1HG ARG 63 HG2 ARG 63 18.376 2.080 3.493 529 2HG ARG 63 HG1 ARG 63 17.069 3.012 4.212 530 1HD ARG 63 HD2 ARG 63 17.017 0.031 4.082 531 2HD ARG 63 HD1 ARG 63 17.788 0.888 5.416 532 HE ARG 63 HE ARG 63 15.434 2.028 5.520 533 1HH1 ARG 63 HH11 ARG 63 16.120 -1.335 4.846 534 2HH1 ARG 63 HH12 ARG 63 14.656 -1.911 5.585 535 1HH2 ARG 63 HH21 ARG 63 13.506 1.260 6.511 536 2HH2 ARG 63 HH22 ARG 63 13.178 -0.449 6.526 537 H ALA 64 HN ALA 64 16.744 4.711 -0.334 538 HA ALA 64 HA ALA 64 14.508 3.912 -1.859 539 1HB ALA 64 HB1 ALA 64 15.557 5.111 -3.700 540 2HB ALA 64 HB2 ALA 64 17.085 5.160 -2.818 541 3HB ALA 64 HB3 ALA 64 15.685 6.041 -2.206 542 H ASN 65 HN ASN 65 14.406 1.690 -2.026 543 HA ASN 65 HA ASN 65 16.607 0.048 -2.731 544 1HB ASN 65 HB2 ASN 65 13.641 -0.408 -2.617 545 2HB ASN 65 HB1 ASN 65 14.704 -1.636 -3.288 546 1HD2 ASN 65 HD21 ASN 65 15.483 0.495 -0.594 547 2HD2 ASN 65 HD22 ASN 65 15.542 -0.759 0.597 548 H GLY 66 HN GLY 66 13.828 1.218 -4.600 549 1HA GLY 66 HA2 GLY 66 14.324 1.809 -6.968 550 2HA GLY 66 HA1 GLY 66 15.207 0.287 -7.034 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -13.389 13.120 -3.833 2 2H MET 1 HT2 MET 1 -13.903 14.165 -5.062 3 3H MET 1 HT3 MET 1 -12.720 14.674 -3.958 4 HA MET 1 HA MET 1 -12.388 12.407 -5.830 5 1HB MET 1 HB2 MET 1 -11.541 15.291 -6.067 6 2HB MET 1 HB1 MET 1 -10.779 13.999 -6.990 7 1HG MET 1 HG2 MET 1 -13.662 14.849 -7.088 8 2HG MET 1 HG1 MET 1 -12.447 15.035 -8.354 9 1HE MET 1 HE1 MET 1 -15.360 13.703 -8.748 10 2HE MET 1 HE2 MET 1 -14.956 12.331 -9.780 11 3HE MET 1 HE3 MET 1 -14.208 13.902 -10.069 12 H GLN 2 HN GLN 2 -10.803 14.789 -3.695 13 HA GLN 2 HA GLN 2 -8.502 13.067 -3.373 14 1HB GLN 2 HB2 GLN 2 -8.303 15.548 -3.264 15 2HB GLN 2 HB1 GLN 2 -9.305 15.544 -1.819 16 1HG GLN 2 HG2 GLN 2 -7.605 14.145 -0.691 17 2HG GLN 2 HG1 GLN 2 -6.589 14.285 -2.124 18 1HE2 GLN 2 HE21 GLN 2 -6.076 15.136 0.607 19 2HE2 GLN 2 HE22 GLN 2 -5.758 16.835 0.530 20 H HIS 3 HN HIS 3 -8.317 11.490 -1.888 21 HA HIS 3 HA HIS 3 -10.464 11.252 0.100 22 1HB HIS 3 HB2 HIS 3 -8.520 9.178 -0.940 23 2HB HIS 3 HB1 HIS 3 -9.762 8.885 0.266 24 HD1 HIS 3 HD1 HIS 3 -12.273 8.990 -0.586 25 HD2 HIS 3 HD2 HIS 3 -9.352 9.047 -3.546 26 HE1 HIS 3 HE1 HIS 3 -13.466 8.428 -2.732 27 HE2 HIS 3 HE2 HIS 3 -11.643 8.281 -4.469 28 H GLU 4 HN GLU 4 -9.987 11.731 2.147 29 HA GLU 4 HA GLU 4 -7.184 11.608 2.973 30 1HB GLU 4 HB2 GLU 4 -7.800 13.011 4.851 31 2HB GLU 4 HB1 GLU 4 -8.311 13.750 3.340 32 1HG GLU 4 HG2 GLU 4 -10.563 13.151 3.712 33 2HG GLU 4 HG1 GLU 4 -10.128 12.140 5.088 34 H LEU 5 HN LEU 5 -6.507 10.268 4.517 35 HA LEU 5 HA LEU 5 -8.356 8.867 6.214 36 1HB LEU 5 HB2 LEU 5 -7.273 6.623 5.488 37 2HB LEU 5 HB1 LEU 5 -8.614 7.272 4.577 38 HG LEU 5 HG LEU 5 -7.175 7.942 2.779 39 1HD1 LEU 5 HD11 LEU 5 -5.255 8.726 4.056 40 2HD1 LEU 5 HD12 LEU 5 -4.761 7.582 2.808 41 3HD1 LEU 5 HD13 LEU 5 -4.855 7.063 4.491 42 1HD2 LEU 5 HD21 LEU 5 -6.079 5.712 2.242 43 2HD2 LEU 5 HD22 LEU 5 -7.807 5.675 2.599 44 3HD2 LEU 5 HD23 LEU 5 -6.646 5.169 3.823 45 H GLN 6 HN GLN 6 -7.210 7.436 7.734 46 HA GLN 6 HA GLN 6 -4.506 8.428 8.290 47 1HB GLN 6 HB2 GLN 6 -4.858 7.766 10.576 48 2HB GLN 6 HB1 GLN 6 -6.225 8.741 10.061 49 1HG GLN 6 HG2 GLN 6 -7.554 6.731 9.740 50 2HG GLN 6 HG1 GLN 6 -6.178 5.740 10.232 51 1HE2 GLN 6 HE21 GLN 6 -5.427 5.902 12.369 52 2HE2 GLN 6 HE22 GLN 6 -6.477 6.423 13.641 53 HA PRO 7 HA PRO 7 -2.267 4.647 7.582 54 1HB PRO 7 HB2 PRO 7 -2.339 4.246 10.556 55 2HB PRO 7 HB1 PRO 7 -1.003 3.991 9.424 56 1HG PRO 7 HG2 PRO 7 -1.134 6.213 10.887 57 2HG PRO 7 HG1 PRO 7 -0.577 6.258 9.206 58 1HD PRO 7 HD2 PRO 7 -3.107 7.239 10.375 59 2HD PRO 7 HD1 PRO 7 -2.280 7.741 8.888 60 H ASP 8 HN ASP 8 -4.885 4.343 10.008 61 HA ASP 8 HA ASP 8 -5.367 1.650 8.949 62 1HB ASP 8 HB2 ASP 8 -5.250 2.024 11.456 63 2HB ASP 8 HB1 ASP 8 -6.760 2.920 11.308 64 H SER 9 HN SER 9 -6.513 1.732 7.183 65 HA SER 9 HA SER 9 -9.172 2.642 7.067 66 1HB SER 9 HB2 SER 9 -7.840 4.837 6.993 67 2HB SER 9 HB1 SER 9 -7.279 4.313 5.405 68 HG SER 9 HG SER 9 -9.815 5.127 6.238 69 H LEU 10 HN LEU 10 -9.548 2.962 4.396 70 HA LEU 10 HA LEU 10 -8.383 0.491 3.320 71 1HB LEU 10 HB2 LEU 10 -10.496 -0.019 2.217 72 2HB LEU 10 HB1 LEU 10 -10.672 0.052 3.955 73 HG LEU 10 HG LEU 10 -11.416 2.412 2.246 74 1HD1 LEU 10 HD11 LEU 10 -13.718 1.555 2.213 75 2HD1 LEU 10 HD12 LEU 10 -13.154 0.041 2.920 76 3HD1 LEU 10 HD13 LEU 10 -12.612 0.517 1.312 77 1HD2 LEU 10 HD21 LEU 10 -12.328 1.416 4.945 78 2HD2 LEU 10 HD22 LEU 10 -12.977 2.827 4.112 79 3HD2 LEU 10 HD23 LEU 10 -11.294 2.809 4.637 80 H VAL 11 HN VAL 11 -7.060 0.989 1.788 81 HA VAL 11 HA VAL 11 -7.765 3.018 -0.216 82 HB VAL 11 HB VAL 11 -5.469 3.005 -0.892 83 1HG1 VAL 11 HG11 VAL 11 -5.937 4.330 1.079 84 2HG1 VAL 11 HG12 VAL 11 -4.316 3.644 1.172 85 3HG1 VAL 11 HG13 VAL 11 -5.628 2.938 2.116 86 1HG2 VAL 11 HG21 VAL 11 -5.019 0.630 -0.765 87 2HG2 VAL 11 HG22 VAL 11 -5.082 0.690 0.997 88 3HG2 VAL 11 HG23 VAL 11 -3.795 1.530 0.131 89 H ASP 12 HN ASP 12 -7.246 2.372 -2.517 90 HA ASP 12 HA ASP 12 -7.575 -0.520 -2.916 91 1HB ASP 12 HB2 ASP 12 -9.251 -0.285 -4.476 92 2HB ASP 12 HB1 ASP 12 -9.640 1.045 -3.393 93 H LEU 13 HN LEU 13 -7.021 -1.132 -5.258 94 HA LEU 13 HA LEU 13 -4.318 -0.839 -5.608 95 1HB LEU 13 HB2 LEU 13 -6.394 -1.417 -7.708 96 2HB LEU 13 HB1 LEU 13 -4.673 -1.676 -7.909 97 HG LEU 13 HG LEU 13 -6.440 -3.086 -5.904 98 1HD1 LEU 13 HD11 LEU 13 -5.133 -4.084 -8.431 99 2HD1 LEU 13 HD12 LEU 13 -6.857 -3.796 -8.198 100 3HD1 LEU 13 HD13 LEU 13 -6.043 -5.062 -7.279 101 1HD2 LEU 13 HD21 LEU 13 -3.518 -3.461 -6.553 102 2HD2 LEU 13 HD22 LEU 13 -4.471 -4.479 -5.474 103 3HD2 LEU 13 HD23 LEU 13 -4.173 -2.790 -5.061 104 H LYS 14 HN LYS 14 -6.875 1.072 -7.169 105 HA LYS 14 HA LYS 14 -5.300 2.555 -8.961 106 1HB LYS 14 HB2 LYS 14 -7.702 3.490 -7.378 107 2HB LYS 14 HB1 LYS 14 -7.079 4.243 -8.842 108 1HG LYS 14 HG2 LYS 14 -7.683 2.289 -10.140 109 2HG LYS 14 HG1 LYS 14 -8.238 1.472 -8.674 110 1HD LYS 14 HD2 LYS 14 -9.872 3.313 -8.338 111 2HD LYS 14 HD1 LYS 14 -9.376 3.983 -9.892 112 1HE LYS 14 HE2 LYS 14 -10.094 1.950 -11.018 113 2HE LYS 14 HE1 LYS 14 -10.546 1.237 -9.470 114 1HZ LYS 14 HZ1 LYS 14 -11.764 3.657 -10.689 115 2HZ LYS 14 HZ2 LYS 14 -12.188 2.996 -9.188 116 3HZ LYS 14 HZ3 LYS 14 -12.473 2.119 -10.611 117 H PHE 15 HN PHE 15 -6.301 3.152 -5.689 118 HA PHE 15 HA PHE 15 -5.184 5.680 -5.356 119 1HB PHE 15 HB2 PHE 15 -6.967 4.657 -3.996 120 2HB PHE 15 HB1 PHE 15 -5.784 3.569 -3.296 121 HD1 PHE 15 HD1 PHE 15 -6.912 7.069 -3.500 122 HD2 PHE 15 HD2 PHE 15 -4.293 4.309 -1.600 123 HE1 PHE 15 HE1 PHE 15 -6.420 8.738 -1.758 124 HE2 PHE 15 HE2 PHE 15 -3.796 5.975 0.145 125 HZ PHE 15 HZ PHE 15 -4.885 8.252 0.015 126 H ILE 16 HN ILE 16 -3.868 2.441 -4.544 127 HA ILE 16 HA ILE 16 -1.449 3.219 -3.440 128 HB ILE 16 HB ILE 16 -1.513 0.954 -5.407 129 1HG1 ILE 16 HG12 ILE 16 -2.570 0.899 -2.565 130 2HG1 ILE 16 HG11 ILE 16 -3.545 0.730 -4.020 131 1HG2 ILE 16 HG21 ILE 16 0.076 -0.005 -3.789 132 2HG2 ILE 16 HG22 ILE 16 -0.099 1.430 -2.780 133 3HG2 ILE 16 HG23 ILE 16 0.614 1.564 -4.391 134 1HD1 ILE 16 HD11 ILE 16 -3.152 -1.421 -2.979 135 2HD1 ILE 16 HD12 ILE 16 -1.409 -1.179 -3.087 136 3HD1 ILE 16 HD13 ILE 16 -2.367 -1.349 -4.559 137 H MET 17 HN MET 17 -2.345 2.902 -6.845 138 HA MET 17 HA MET 17 0.183 3.552 -7.920 139 1HB MET 17 HB2 MET 17 -2.571 3.875 -9.127 140 2HB MET 17 HB1 MET 17 -1.062 4.050 -10.014 141 1HG MET 17 HG2 MET 17 -0.511 1.706 -9.433 142 2HG MET 17 HG1 MET 17 -2.102 1.555 -8.690 143 1HE MET 17 HE1 MET 17 -4.386 1.763 -10.050 144 2HE MET 17 HE2 MET 17 -4.467 2.047 -11.789 145 3HE MET 17 HE3 MET 17 -3.882 3.317 -10.716 146 H ALA 18 HN ALA 18 -2.449 5.497 -6.732 147 HA ALA 18 HA ALA 18 -1.515 7.985 -7.746 148 1HB ALA 18 HB1 ALA 18 -3.034 9.000 -6.127 149 2HB ALA 18 HB2 ALA 18 -3.253 7.436 -5.341 150 3HB ALA 18 HB3 ALA 18 -3.821 7.680 -6.993 151 H ASP 19 HN ASP 19 -1.003 6.198 -4.746 152 HA ASP 19 HA ASP 19 0.534 8.129 -3.392 153 1HB ASP 19 HB2 ASP 19 0.442 5.120 -3.188 154 2HB ASP 19 HB1 ASP 19 1.501 6.090 -2.176 155 H THR 20 HN THR 20 1.382 5.714 -5.788 156 HA THR 20 HA THR 20 4.214 6.463 -5.486 157 HB THR 20 HB THR 20 4.670 4.222 -6.576 158 HG1 THR 20 HG1 THR 20 2.006 3.604 -5.778 159 1HG2 THR 20 HG21 THR 20 3.244 4.234 -3.916 160 2HG2 THR 20 HG22 THR 20 4.951 4.598 -4.177 161 3HG2 THR 20 HG23 THR 20 4.336 2.975 -4.493 162 H GLY 21 HN GLY 21 2.232 4.964 -8.017 163 1HA GLY 21 HA2 GLY 21 1.915 6.132 -10.162 164 2HA GLY 21 HA1 GLY 21 3.564 6.724 -9.983 165 H PHE 22 HN PHE 22 2.785 3.494 -9.031 166 HA PHE 22 HA PHE 22 4.219 2.477 -11.392 167 1HB PHE 22 HB2 PHE 22 4.600 1.585 -8.528 168 2HB PHE 22 HB1 PHE 22 5.375 0.864 -9.935 169 HD1 PHE 22 HD1 PHE 22 5.496 3.469 -7.478 170 HD2 PHE 22 HD2 PHE 22 6.977 2.256 -11.279 171 HE1 PHE 22 HE1 PHE 22 7.354 5.069 -7.262 172 HE2 PHE 22 HE2 PHE 22 8.838 3.851 -11.070 173 HZ PHE 22 HZ PHE 22 9.029 5.262 -9.060 174 H GLY 23 HN GLY 23 4.107 -0.140 -11.132 175 1HA GLY 23 HA2 GLY 23 1.208 -0.625 -11.223 176 2HA GLY 23 HA1 GLY 23 2.417 -1.514 -12.132 177 H LYS 24 HN LYS 24 0.985 -3.226 -11.202 178 HA LYS 24 HA LYS 24 0.552 -3.872 -8.599 179 1HB LYS 24 HB2 LYS 24 1.207 -5.866 -10.768 180 2HB LYS 24 HB1 LYS 24 0.301 -6.185 -9.299 181 1HG LYS 24 HG2 LYS 24 -0.553 -4.384 -11.554 182 2HG LYS 24 HG1 LYS 24 -1.160 -6.006 -11.228 183 1HD LYS 24 HD2 LYS 24 -1.842 -5.096 -8.936 184 2HD LYS 24 HD1 LYS 24 -1.566 -3.496 -9.629 185 1HE LYS 24 HE2 LYS 24 -3.514 -5.589 -10.587 186 2HE LYS 24 HE1 LYS 24 -3.901 -4.042 -9.836 187 1HZ LYS 24 HZ1 LYS 24 -2.985 -2.904 -11.748 188 2HZ LYS 24 HZ2 LYS 24 -4.187 -3.998 -12.247 189 3HZ LYS 24 HZ3 LYS 24 -2.551 -4.382 -12.466 190 H THR 25 HN THR 25 3.309 -5.092 -10.503 191 HA THR 25 HA THR 25 4.280 -6.798 -8.543 192 HB THR 25 HB THR 25 4.925 -6.921 -10.923 193 HG1 THR 25 HG1 THR 25 6.486 -8.068 -10.120 194 1HG2 THR 25 HG21 THR 25 6.694 -4.561 -10.287 195 2HG2 THR 25 HG22 THR 25 5.306 -4.555 -11.375 196 3HG2 THR 25 HG23 THR 25 6.739 -5.504 -11.777 197 H PHE 26 HN PHE 26 5.125 -3.394 -9.141 198 HA PHE 26 HA PHE 26 7.225 -3.234 -7.292 199 1HB PHE 26 HB2 PHE 26 7.028 -1.490 -8.888 200 2HB PHE 26 HB1 PHE 26 5.339 -1.208 -8.488 201 HD1 PHE 26 HD1 PHE 26 4.720 0.175 -6.626 202 HD2 PHE 26 HD2 PHE 26 8.792 -0.707 -7.450 203 HE1 PHE 26 HE1 PHE 26 5.416 1.964 -5.075 204 HE2 PHE 26 HE2 PHE 26 9.501 1.068 -5.904 205 HZ PHE 26 HZ PHE 26 7.718 2.421 -4.684 206 H ILE 27 HN ILE 27 3.756 -2.582 -7.037 207 HA ILE 27 HA ILE 27 3.674 -1.609 -4.436 208 HB ILE 27 HB ILE 27 1.587 -3.299 -5.828 209 1HG1 ILE 27 HG12 ILE 27 1.854 -0.284 -5.696 210 2HG1 ILE 27 HG11 ILE 27 2.282 -1.268 -7.092 211 1HG2 ILE 27 HG21 ILE 27 1.150 -3.185 -3.457 212 2HG2 ILE 27 HG22 ILE 27 -0.003 -2.161 -4.311 213 3HG2 ILE 27 HG23 ILE 27 1.362 -1.433 -3.462 214 1HD1 ILE 27 HD11 ILE 27 -0.025 -1.976 -7.324 215 2HD1 ILE 27 HD12 ILE 27 0.101 -0.215 -7.347 216 3HD1 ILE 27 HD13 ILE 27 -0.468 -1.041 -5.895 217 H TYR 28 HN TYR 28 2.942 -4.931 -5.480 218 HA TYR 28 HA TYR 28 2.516 -5.892 -2.896 219 1HB TYR 28 HB2 TYR 28 3.227 -7.320 -5.459 220 2HB TYR 28 HB1 TYR 28 2.846 -8.172 -3.965 221 HD1 TYR 28 HD1 TYR 28 1.357 -5.327 -5.914 222 HD2 TYR 28 HD2 TYR 28 0.687 -9.013 -3.888 223 HE1 TYR 28 HE1 TYR 28 -1.035 -5.192 -6.461 224 HE2 TYR 28 HE2 TYR 28 -1.701 -8.887 -4.439 225 HH TYR 28 HH TYR 28 -2.945 -6.687 -6.710 226 H ASP 29 HN ASP 29 5.479 -5.821 -4.844 227 HA ASP 29 HA ASP 29 7.071 -7.305 -3.037 228 1HB ASP 29 HB2 ASP 29 7.784 -6.857 -5.350 229 2HB ASP 29 HB1 ASP 29 7.923 -5.142 -4.977 230 H ARG 30 HN ARG 30 6.622 -3.797 -3.441 231 HA ARG 30 HA ARG 30 8.450 -2.994 -1.457 232 1HB ARG 30 HB2 ARG 30 5.960 -1.570 -2.409 233 2HB ARG 30 HB1 ARG 30 7.235 -0.839 -1.451 234 1HG ARG 30 HG2 ARG 30 7.571 -1.954 -4.218 235 2HG ARG 30 HG1 ARG 30 7.330 -0.253 -3.827 236 1HD ARG 30 HD2 ARG 30 9.600 -0.286 -3.976 237 2HD ARG 30 HD1 ARG 30 9.419 -0.686 -2.269 238 HE ARG 30 HE ARG 30 9.583 -3.081 -3.096 239 1HH1 ARG 30 HH11 ARG 30 11.224 -0.385 -4.638 240 2HH1 ARG 30 HH12 ARG 30 12.465 -1.388 -5.324 241 1HH2 ARG 30 HH21 ARG 30 11.188 -4.388 -4.048 242 2HH2 ARG 30 HH22 ARG 30 12.461 -3.634 -4.982 243 H ILE 31 HN ILE 31 4.918 -3.379 -1.315 244 HA ILE 31 HA ILE 31 4.688 -2.419 1.318 245 HB ILE 31 HB ILE 31 2.805 -4.015 -0.411 246 1HG1 ILE 31 HG12 ILE 31 1.428 -1.931 -0.202 247 2HG1 ILE 31 HG11 ILE 31 2.731 -1.200 0.727 248 1HG2 ILE 31 HG21 ILE 31 1.097 -3.787 1.300 249 2HG2 ILE 31 HG22 ILE 31 2.267 -3.035 2.385 250 3HG2 ILE 31 HG23 ILE 31 2.462 -4.725 1.912 251 1HD1 ILE 31 HD11 ILE 31 4.186 -1.337 -1.216 252 2HD1 ILE 31 HD12 ILE 31 2.715 -0.424 -1.558 253 3HD1 ILE 31 HD13 ILE 31 2.880 -2.081 -2.139 254 H LYS 32 HN LYS 32 4.904 -5.750 0.071 255 HA LYS 32 HA LYS 32 4.704 -7.060 2.556 256 1HB LYS 32 HB2 LYS 32 6.134 -7.807 0.026 257 2HB LYS 32 HB1 LYS 32 6.051 -8.866 1.424 258 1HG LYS 32 HG2 LYS 32 3.614 -8.884 1.253 259 2HG LYS 32 HG1 LYS 32 3.724 -7.850 -0.182 260 1HD LYS 32 HD2 LYS 32 5.093 -9.519 -1.282 261 2HD LYS 32 HD1 LYS 32 5.007 -10.541 0.149 262 1HE LYS 32 HE2 LYS 32 2.616 -10.796 -0.136 263 2HE LYS 32 HE1 LYS 32 2.640 -9.685 -1.509 264 1HZ LYS 32 HZ1 LYS 32 2.625 -12.161 -2.012 265 2HZ LYS 32 HZ2 LYS 32 4.243 -12.173 -1.501 266 3HZ LYS 32 HZ3 LYS 32 3.779 -11.222 -2.822 267 H SER 33 HN SER 33 7.558 -6.066 0.701 268 HA SER 33 HA SER 33 9.454 -6.965 2.570 269 1HB SER 33 HB2 SER 33 9.932 -6.461 0.174 270 2HB SER 33 HB1 SER 33 9.760 -4.744 0.533 271 HG SER 33 HG SER 33 11.661 -6.527 1.681 272 H GLY 34 HN GLY 34 7.598 -4.027 2.303 273 1HA GLY 34 HA2 GLY 34 8.967 -2.478 4.222 274 2HA GLY 34 HA1 GLY 34 7.262 -2.330 3.808 275 H ASP 35 HN ASP 35 5.921 -4.305 4.650 276 HA ASP 35 HA ASP 35 6.697 -5.711 6.935 277 1HB ASP 35 HB2 ASP 35 6.813 -3.325 7.864 278 2HB ASP 35 HB1 ASP 35 5.058 -3.300 7.716 279 H LEU 36 HN LEU 36 5.513 -7.131 5.643 280 HA LEU 36 HA LEU 36 3.547 -8.156 4.858 281 1HB LEU 36 HB2 LEU 36 3.431 -8.254 7.860 282 2HB LEU 36 HB1 LEU 36 2.641 -9.378 6.771 283 HG LEU 36 HG LEU 36 5.617 -9.026 7.144 284 1HD1 LEU 36 HD11 LEU 36 5.517 -11.328 7.954 285 2HD1 LEU 36 HD12 LEU 36 3.765 -11.327 7.745 286 3HD1 LEU 36 HD13 LEU 36 4.511 -10.257 8.931 287 1HD2 LEU 36 HD21 LEU 36 5.070 -9.458 4.797 288 2HD2 LEU 36 HD22 LEU 36 4.128 -10.870 5.278 289 3HD2 LEU 36 HD23 LEU 36 5.871 -10.841 5.543 290 HA PRO 37 HA PRO 37 0.489 -4.838 4.863 291 1HB PRO 37 HB2 PRO 37 -1.177 -6.195 3.085 292 2HB PRO 37 HB1 PRO 37 0.100 -5.060 2.639 293 1HG PRO 37 HG2 PRO 37 0.146 -8.041 2.703 294 2HG PRO 37 HG1 PRO 37 0.907 -6.928 1.550 295 1HD PRO 37 HD2 PRO 37 2.334 -8.159 3.445 296 2HD PRO 37 HD1 PRO 37 2.693 -6.487 2.964 297 H LYS 38 HN LYS 38 -1.183 -4.513 6.118 298 HA LYS 38 HA LYS 38 -2.489 -6.792 7.385 299 1HB LYS 38 HB2 LYS 38 -2.618 -3.828 7.968 300 2HB LYS 38 HB1 LYS 38 -3.526 -5.046 8.856 301 1HG LYS 38 HG2 LYS 38 -1.627 -4.539 10.165 302 2HG LYS 38 HG1 LYS 38 -1.306 -6.110 9.426 303 1HD LYS 38 HD2 LYS 38 0.000 -4.980 7.672 304 2HD LYS 38 HD1 LYS 38 -0.263 -3.438 8.490 305 1HE LYS 38 HE2 LYS 38 0.893 -4.325 10.477 306 2HE LYS 38 HE1 LYS 38 1.192 -5.834 9.614 307 1HZ LYS 38 HZ1 LYS 38 2.407 -4.494 7.927 308 2HZ LYS 38 HZ2 LYS 38 3.141 -4.502 9.455 309 3HZ LYS 38 HZ3 LYS 38 2.262 -3.146 8.945 310 H ALA 39 HN ALA 39 -2.869 -4.901 4.722 311 HA ALA 39 HA ALA 39 -5.435 -4.361 4.204 312 1HB ALA 39 HB1 ALA 39 -5.055 -5.095 1.910 313 2HB ALA 39 HB2 ALA 39 -3.643 -6.014 2.434 314 3HB ALA 39 HB3 ALA 39 -3.643 -4.255 2.552 315 H LYS 40 HN LYS 40 -7.241 -5.541 3.275 316 HA LYS 40 HA LYS 40 -7.469 -8.162 4.568 317 1HB LYS 40 HB2 LYS 40 -9.520 -6.056 3.933 318 2HB LYS 40 HB1 LYS 40 -9.989 -7.716 4.271 319 1HG LYS 40 HG2 LYS 40 -10.202 -6.529 6.294 320 2HG LYS 40 HG1 LYS 40 -8.746 -7.511 6.446 321 1HD LYS 40 HD2 LYS 40 -7.419 -5.490 5.772 322 2HD LYS 40 HD1 LYS 40 -8.913 -4.555 5.881 323 1HE LYS 40 HE2 LYS 40 -7.720 -4.289 7.935 324 2HE LYS 40 HE1 LYS 40 -9.130 -5.297 8.248 325 1HZ LYS 40 HZ1 LYS 40 -6.361 -6.292 7.833 326 2HZ LYS 40 HZ2 LYS 40 -7.716 -7.252 8.167 327 3HZ LYS 40 HZ3 LYS 40 -7.144 -6.158 9.330 328 H VAL 41 HN VAL 41 -6.521 -9.285 2.940 329 HA VAL 41 HA VAL 41 -7.565 -9.139 0.244 330 HB VAL 41 HB VAL 41 -5.440 -10.939 1.436 331 1HG1 VAL 41 HG11 VAL 41 -6.134 -10.395 -1.444 332 2HG1 VAL 41 HG12 VAL 41 -6.406 -11.902 -0.568 333 3HG1 VAL 41 HG13 VAL 41 -4.760 -11.347 -0.876 334 1HG2 VAL 41 HG21 VAL 41 -4.799 -8.602 1.567 335 2HG2 VAL 41 HG22 VAL 41 -5.173 -8.382 -0.142 336 3HG2 VAL 41 HG23 VAL 41 -3.840 -9.430 0.341 337 H ILE 42 HN ILE 42 -9.668 -9.908 0.461 338 HA ILE 42 HA ILE 42 -10.023 -12.607 1.539 339 HB ILE 42 HB ILE 42 -11.510 -10.818 2.401 340 1HG1 ILE 42 HG12 ILE 42 -13.637 -12.046 2.134 341 2HG1 ILE 42 HG11 ILE 42 -12.931 -12.963 0.806 342 1HG2 ILE 42 HG21 ILE 42 -12.577 -10.732 -0.414 343 2HG2 ILE 42 HG22 ILE 42 -11.679 -9.454 0.402 344 3HG2 ILE 42 HG23 ILE 42 -13.282 -9.909 0.979 345 1HD1 ILE 42 HD11 ILE 42 -11.263 -13.878 2.362 346 2HD1 ILE 42 HD12 ILE 42 -12.918 -14.277 2.825 347 3HD1 ILE 42 HD13 ILE 42 -12.047 -13.004 3.682 348 H HIS 43 HN HIS 43 -9.841 -10.873 -1.391 349 HA HIS 43 HA HIS 43 -10.462 -13.327 -2.828 350 1HB HIS 43 HB2 HIS 43 -12.479 -11.746 -2.832 351 2HB HIS 43 HB1 HIS 43 -11.503 -10.685 -3.845 352 HD1 HIS 43 HD1 HIS 43 -11.654 -11.103 -6.307 353 HD2 HIS 43 HD2 HIS 43 -12.825 -14.405 -4.065 354 HE1 HIS 43 HE1 HIS 43 -12.489 -12.794 -7.972 355 HE2 HIS 43 HE2 HIS 43 -12.939 -14.865 -6.605 356 H GLY 44 HN GLY 44 -7.983 -12.805 -2.405 357 1HA GLY 44 HA2 GLY 44 -6.016 -12.803 -3.606 358 2HA GLY 44 HA1 GLY 44 -6.926 -12.372 -5.042 359 H ARG 45 HN ARG 45 -8.072 -9.974 -3.768 360 HA ARG 45 HA ARG 45 -5.742 -8.290 -3.228 361 1HB ARG 45 HB2 ARG 45 -7.754 -7.670 -5.417 362 2HB ARG 45 HB1 ARG 45 -6.434 -6.624 -4.909 363 1HG ARG 45 HG2 ARG 45 -4.806 -8.087 -5.775 364 2HG ARG 45 HG1 ARG 45 -5.974 -9.393 -5.963 365 1HD ARG 45 HD2 ARG 45 -7.162 -7.730 -7.575 366 2HD ARG 45 HD1 ARG 45 -5.581 -6.942 -7.624 367 HE ARG 45 HE ARG 45 -4.697 -9.191 -8.306 368 1HH1 ARG 45 HH11 ARG 45 -7.970 -8.168 -9.022 369 2HH1 ARG 45 HH12 ARG 45 -8.221 -9.377 -10.250 370 1HH2 ARG 45 HH21 ARG 45 -4.997 -10.754 -9.969 371 2HH2 ARG 45 HH22 ARG 45 -6.530 -10.844 -10.787 372 H ALA 46 HN ALA 46 -9.164 -7.785 -4.041 373 HA ALA 46 HA ALA 46 -10.919 -6.906 -2.947 374 1HB ALA 46 HB1 ALA 46 -11.181 -7.379 -0.583 375 2HB ALA 46 HB2 ALA 46 -9.471 -7.797 -0.464 376 3HB ALA 46 HB3 ALA 46 -10.554 -8.785 -1.443 377 H ARG 47 HN ARG 47 -8.865 -6.068 -0.208 378 HA ARG 47 HA ARG 47 -8.935 -3.262 -1.023 379 1HB ARG 47 HB2 ARG 47 -9.890 -2.564 1.128 380 2HB ARG 47 HB1 ARG 47 -11.003 -3.589 0.232 381 1HG ARG 47 HG2 ARG 47 -10.279 -5.505 1.620 382 2HG ARG 47 HG1 ARG 47 -9.291 -4.392 2.567 383 1HD ARG 47 HD2 ARG 47 -11.374 -4.753 3.711 384 2HD ARG 47 HD1 ARG 47 -11.334 -3.100 3.101 385 HE ARG 47 HE ARG 47 -12.601 -4.585 1.154 386 1HH1 ARG 47 HH11 ARG 47 -13.124 -3.830 4.541 387 2HH1 ARG 47 HH12 ARG 47 -14.855 -3.959 4.429 388 1HH2 ARG 47 HH21 ARG 47 -14.880 -4.806 1.025 389 2HH2 ARG 47 HH22 ARG 47 -15.850 -4.517 2.442 390 H TRP 48 HN TRP 48 -7.329 -2.007 -0.117 391 HA TRP 48 HA TRP 48 -5.299 -3.539 1.368 392 1HB TRP 48 HB2 TRP 48 -4.966 -2.519 -1.103 393 2HB TRP 48 HB1 TRP 48 -4.514 -1.104 -0.155 394 HD1 TRP 48 HD1 TRP 48 -2.537 -1.698 1.813 395 HE1 TRP 48 HE1 TRP 48 -0.439 -3.152 1.529 396 HE3 TRP 48 HE3 TRP 48 -3.945 -4.330 -2.332 397 HZ2 TRP 48 HZ2 TRP 48 0.518 -5.129 -0.253 398 HZ3 TRP 48 HZ3 TRP 48 -2.374 -5.976 -3.275 399 HH2 TRP 48 HH2 TRP 48 -0.192 -6.365 -2.256 400 H LEU 49 HN LEU 49 -4.102 -2.387 3.011 401 HA LEU 49 HA LEU 49 -5.638 -0.184 4.139 402 1HB LEU 49 HB2 LEU 49 -3.858 -2.263 5.231 403 2HB LEU 49 HB1 LEU 49 -3.783 -0.697 6.014 404 HG LEU 49 HG LEU 49 -6.227 -0.786 6.374 405 1HD1 LEU 49 HD11 LEU 49 -6.823 -2.252 4.531 406 2HD1 LEU 49 HD12 LEU 49 -7.417 -2.882 6.068 407 3HD1 LEU 49 HD13 LEU 49 -5.987 -3.590 5.319 408 1HD2 LEU 49 HD21 LEU 49 -6.175 -2.480 8.140 409 2HD2 LEU 49 HD22 LEU 49 -4.722 -1.481 8.133 410 3HD2 LEU 49 HD23 LEU 49 -4.670 -3.116 7.473 411 H TYR 50 HN TYR 50 -4.672 1.725 4.850 412 HA TYR 50 HA TYR 50 -2.712 2.707 3.026 413 1HB TYR 50 HB2 TYR 50 -4.596 4.074 3.996 414 2HB TYR 50 HB1 TYR 50 -3.708 4.094 5.518 415 HD1 TYR 50 HD1 TYR 50 -3.490 5.087 1.941 416 HD2 TYR 50 HD2 TYR 50 -1.988 5.641 5.886 417 HE1 TYR 50 HE1 TYR 50 -2.202 7.040 1.172 418 HE2 TYR 50 HE2 TYR 50 -0.707 7.601 5.128 419 HH TYR 50 HH TYR 50 -1.202 9.083 2.101 420 H ARG 51 HN ARG 51 -2.724 1.737 6.404 421 HA ARG 51 HA ARG 51 -0.223 2.521 7.234 422 1HB ARG 51 HB2 ARG 51 -0.269 0.728 8.824 423 2HB ARG 51 HB1 ARG 51 -1.906 1.344 8.644 424 1HG ARG 51 HG2 ARG 51 -2.563 -0.518 7.352 425 2HG ARG 51 HG1 ARG 51 -0.890 -1.059 7.157 426 1HD ARG 51 HD2 ARG 51 -1.791 -2.467 8.794 427 2HD ARG 51 HD1 ARG 51 -0.855 -1.282 9.696 428 HE ARG 51 HE ARG 51 -3.587 -0.511 9.449 429 1HH1 ARG 51 HH11 ARG 51 -1.373 -2.503 11.264 430 2HH1 ARG 51 HH12 ARG 51 -2.430 -2.675 12.633 431 1HH2 ARG 51 HH21 ARG 51 -5.006 -0.717 11.239 432 2HH2 ARG 51 HH22 ARG 51 -4.481 -1.625 12.635 433 H ASP 52 HN ASP 52 -1.089 -0.225 5.199 434 HA ASP 52 HA ASP 52 1.425 -1.480 5.172 435 1HB ASP 52 HB2 ASP 52 -0.657 -1.479 2.981 436 2HB ASP 52 HB1 ASP 52 0.614 -2.675 3.220 437 H HIS 53 HN HIS 53 0.125 1.225 3.444 438 HA HIS 53 HA HIS 53 2.276 1.373 1.549 439 1HB HIS 53 HB2 HIS 53 0.249 3.466 2.398 440 2HB HIS 53 HB1 HIS 53 1.398 3.663 1.079 441 HD1 HIS 53 HD1 HIS 53 -1.022 4.030 -0.244 442 HD2 HIS 53 HD2 HIS 53 0.028 0.158 0.905 443 HE1 HIS 53 HE1 HIS 53 -2.534 2.488 -1.526 444 HE2 HIS 53 HE2 HIS 53 -1.958 0.173 -0.737 445 H CYS 54 HN CYS 54 1.506 2.729 4.696 446 HA CYS 54 HA CYS 54 3.713 4.472 4.922 447 1HB CYS 54 HB2 CYS 54 2.394 2.929 7.167 448 2HB CYS 54 HB1 CYS 54 3.295 4.435 7.301 449 HG CYS 54 HG CYS 54 0.389 4.230 5.511 450 H GLU 55 HN GLU 55 3.275 1.046 5.655 451 HA GLU 55 HA GLU 55 5.790 0.585 6.832 452 1HB GLU 55 HB2 GLU 55 4.140 -1.418 5.286 453 2HB GLU 55 HB1 GLU 55 5.317 -1.757 6.543 454 1HG GLU 55 HG2 GLU 55 2.759 -0.245 7.003 455 2HG GLU 55 HG1 GLU 55 2.935 -1.979 7.230 456 H PHE 56 HN PHE 56 4.642 0.119 3.486 457 HA PHE 56 HA PHE 56 7.117 -0.826 2.540 458 1HB PHE 56 HB2 PHE 56 6.093 -1.069 0.545 459 2HB PHE 56 HB1 PHE 56 4.641 -0.736 1.475 460 HD1 PHE 56 HD1 PHE 56 7.225 0.937 -0.612 461 HD2 PHE 56 HD2 PHE 56 3.235 0.951 0.851 462 HE1 PHE 56 HE1 PHE 56 6.692 2.806 -2.106 463 HE2 PHE 56 HE2 PHE 56 2.696 2.839 -0.638 464 HZ PHE 56 HZ PHE 56 4.438 3.769 -2.107 465 H LYS 57 HN LYS 57 5.698 2.428 2.500 466 HA LYS 57 HA LYS 57 7.788 3.792 1.257 467 1HB LYS 57 HB2 LYS 57 5.789 4.619 3.341 468 2HB LYS 57 HB1 LYS 57 6.991 5.745 2.727 469 1HG LYS 57 HG2 LYS 57 5.026 4.262 1.010 470 2HG LYS 57 HG1 LYS 57 4.790 5.904 1.613 471 1HD LYS 57 HD2 LYS 57 7.185 5.081 -0.011 472 2HD LYS 57 HD1 LYS 57 5.702 5.698 -0.744 473 1HE LYS 57 HE2 LYS 57 7.395 7.152 1.288 474 2HE LYS 57 HE1 LYS 57 7.405 7.450 -0.448 475 1HZ LYS 57 HZ1 LYS 57 6.022 9.066 0.621 476 2HZ LYS 57 HZ2 LYS 57 5.125 7.864 1.409 477 3HZ LYS 57 HZ3 LYS 57 5.025 8.024 -0.278 478 H ASN 58 HN ASN 58 7.316 2.843 4.567 479 HA ASN 58 HA ASN 58 9.424 4.058 5.845 480 1HB ASN 58 HB2 ASN 58 7.765 2.854 7.055 481 2HB ASN 58 HB1 ASN 58 8.119 1.366 6.186 482 1HD2 ASN 58 HD21 ASN 58 8.554 0.121 7.873 483 2HD2 ASN 58 HD22 ASN 58 9.922 0.326 8.918 484 H LYS 59 HN LYS 59 9.449 1.109 3.873 485 HA LYS 59 HA LYS 59 12.203 0.581 4.477 486 1HB LYS 59 HB2 LYS 59 11.247 -1.437 4.166 487 2HB LYS 59 HB1 LYS 59 9.950 -0.778 3.180 488 1HG LYS 59 HG2 LYS 59 12.474 -0.689 1.819 489 2HG LYS 59 HG1 LYS 59 12.063 -2.328 2.323 490 1HD LYS 59 HD2 LYS 59 9.902 -2.131 1.219 491 2HD LYS 59 HD1 LYS 59 10.274 -0.466 0.763 492 1HE LYS 59 HE2 LYS 59 10.623 -2.058 -1.090 493 2HE LYS 59 HE1 LYS 59 12.102 -1.215 -0.628 494 1HZ LYS 59 HZ1 LYS 59 12.848 -3.147 0.563 495 2HZ LYS 59 HZ2 LYS 59 12.421 -3.632 -1.005 496 3HZ LYS 59 HZ3 LYS 59 11.385 -3.950 0.295 497 H LEU 60 HN LEU 60 10.299 1.805 1.747 498 HA LEU 60 HA LEU 60 12.484 2.023 -0.050 499 1HB LEU 60 HB2 LEU 60 9.740 3.198 0.056 500 2HB LEU 60 HB1 LEU 60 10.897 3.811 -1.107 501 HG LEU 60 HG LEU 60 9.865 0.972 -0.935 502 1HD1 LEU 60 HD11 LEU 60 8.870 1.458 -3.072 503 2HD1 LEU 60 HD12 LEU 60 9.515 3.101 -3.027 504 3HD1 LEU 60 HD13 LEU 60 8.299 2.598 -1.854 505 1HD2 LEU 60 HD21 LEU 60 11.885 2.209 -2.804 506 2HD2 LEU 60 HD22 LEU 60 11.162 0.611 -2.995 507 3HD2 LEU 60 HD23 LEU 60 12.197 0.952 -1.605 508 H LEU 61 HN LEU 61 11.343 3.987 2.550 509 HA LEU 61 HA LEU 61 12.424 6.468 1.872 510 1HB LEU 61 HB2 LEU 61 10.877 6.039 3.751 511 2HB LEU 61 HB1 LEU 61 12.173 5.237 4.613 512 HG LEU 61 HG LEU 61 13.429 7.357 4.675 513 1HD1 LEU 61 HD11 LEU 61 12.509 8.380 2.658 514 2HD1 LEU 61 HD12 LEU 61 12.321 9.439 4.056 515 3HD1 LEU 61 HD13 LEU 61 10.937 8.529 3.446 516 1HD2 LEU 61 HD21 LEU 61 10.622 7.529 5.764 517 2HD2 LEU 61 HD22 LEU 61 12.004 8.478 6.311 518 3HD2 LEU 61 HD23 LEU 61 11.991 6.729 6.539 519 H SER 62 HN SER 62 13.914 3.620 3.263 520 HA SER 62 HA SER 62 16.380 4.840 3.969 521 1HB SER 62 HB2 SER 62 15.916 1.923 3.309 522 2HB SER 62 HB1 SER 62 17.168 2.602 4.350 523 HG SER 62 HG SER 62 15.314 1.689 5.471 524 H ARG 63 HN ARG 63 15.028 3.952 0.981 525 HA ARG 63 HA ARG 63 17.657 3.666 -0.292 526 1HB ARG 63 HB2 ARG 63 14.899 2.877 -1.226 527 2HB ARG 63 HB1 ARG 63 16.355 2.718 -2.194 528 1HG ARG 63 HG2 ARG 63 17.289 1.189 -0.526 529 2HG ARG 63 HG1 ARG 63 15.806 1.328 0.421 530 1HD ARG 63 HD2 ARG 63 14.530 0.405 -1.445 531 2HD ARG 63 HD1 ARG 63 16.006 0.287 -2.401 532 HE ARG 63 HE ARG 63 16.192 -1.101 0.101 533 1HH1 ARG 63 HH11 ARG 63 15.032 -1.362 -3.200 534 2HH1 ARG 63 HH12 ARG 63 15.161 -3.097 -3.238 535 1HH2 ARG 63 HH21 ARG 63 16.351 -3.361 0.055 536 2HH2 ARG 63 HH22 ARG 63 15.903 -4.236 -1.377 537 H ALA 64 HN ALA 64 14.572 5.374 -0.523 538 HA ALA 64 HA ALA 64 13.867 7.188 -1.673 539 1HB ALA 64 HB1 ALA 64 15.449 8.992 -2.080 540 2HB ALA 64 HB2 ALA 64 16.797 7.894 -1.778 541 3HB ALA 64 HB3 ALA 64 15.682 8.301 -0.475 542 H ASN 65 HN ASN 65 13.009 6.303 -3.468 543 HA ASN 65 HA ASN 65 14.738 5.364 -5.598 544 1HB ASN 65 HB2 ASN 65 12.636 4.565 -6.656 545 2HB ASN 65 HB1 ASN 65 12.893 3.925 -5.041 546 1HD2 ASN 65 HD21 ASN 65 10.736 3.444 -4.785 547 2HD2 ASN 65 HD22 ASN 65 9.526 4.661 -4.532 548 H GLY 66 HN GLY 66 13.426 8.269 -4.770 549 1HA GLY 66 HA2 GLY 66 14.368 9.734 -6.828 550 2HA GLY 66 HA1 GLY 66 12.808 9.194 -7.436 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -13.389 13.120 -3.833 2 2H MET 1 HT2 MET 1 -13.903 14.165 -5.062 3 3H MET 1 HT3 MET 1 -12.720 14.674 -3.958 4 HA MET 1 HA MET 1 -12.388 12.407 -5.830 5 1HB MET 1 HB2 MET 1 -11.541 15.291 -6.067 6 2HB MET 1 HB1 MET 1 -10.779 13.999 -6.990 7 1HG MET 1 HG2 MET 1 -13.662 14.849 -7.088 8 2HG MET 1 HG1 MET 1 -12.447 15.035 -8.354 9 1HE MET 1 HE1 MET 1 -15.360 13.703 -8.748 10 2HE MET 1 HE2 MET 1 -14.956 12.331 -9.780 11 3HE MET 1 HE3 MET 1 -14.208 13.902 -10.069 12 H GLN 2 HN GLN 2 -10.803 14.789 -3.695 13 HA GLN 2 HA GLN 2 -8.502 13.067 -3.373 14 1HB GLN 2 HB2 GLN 2 -8.303 15.548 -3.264 15 2HB GLN 2 HB1 GLN 2 -9.305 15.544 -1.819 16 1HG GLN 2 HG2 GLN 2 -7.605 14.145 -0.691 17 2HG GLN 2 HG1 GLN 2 -6.589 14.285 -2.124 18 1HE2 GLN 2 HE21 GLN 2 -6.076 15.136 0.607 19 2HE2 GLN 2 HE22 GLN 2 -5.758 16.835 0.530 20 H HIS 3 HN HIS 3 -8.317 11.490 -1.888 21 HA HIS 3 HA HIS 3 -10.464 11.252 0.100 22 1HB HIS 3 HB2 HIS 3 -8.520 9.178 -0.940 23 2HB HIS 3 HB1 HIS 3 -9.762 8.885 0.266 24 HD1 HIS 3 HD1 HIS 3 -12.273 8.990 -0.586 25 HD2 HIS 3 HD2 HIS 3 -9.352 9.047 -3.546 26 HE1 HIS 3 HE1 HIS 3 -13.466 8.428 -2.732 27 HE2 HIS 3 HE2 HIS 3 -11.643 8.281 -4.469 28 H GLU 4 HN GLU 4 -9.987 11.731 2.147 29 HA GLU 4 HA GLU 4 -7.184 11.608 2.973 30 1HB GLU 4 HB2 GLU 4 -7.800 13.011 4.851 31 2HB GLU 4 HB1 GLU 4 -8.311 13.750 3.340 32 1HG GLU 4 HG2 GLU 4 -10.563 13.151 3.712 33 2HG GLU 4 HG1 GLU 4 -10.128 12.140 5.088 34 H LEU 5 HN LEU 5 -6.507 10.268 4.517 35 HA LEU 5 HA LEU 5 -8.356 8.867 6.214 36 1HB LEU 5 HB2 LEU 5 -7.273 6.623 5.488 37 2HB LEU 5 HB1 LEU 5 -8.614 7.272 4.577 38 HG LEU 5 HG LEU 5 -7.175 7.942 2.779 39 1HD1 LEU 5 HD11 LEU 5 -5.255 8.726 4.056 40 2HD1 LEU 5 HD12 LEU 5 -4.761 7.582 2.808 41 3HD1 LEU 5 HD13 LEU 5 -4.855 7.063 4.491 42 1HD2 LEU 5 HD21 LEU 5 -6.079 5.712 2.242 43 2HD2 LEU 5 HD22 LEU 5 -7.807 5.675 2.599 44 3HD2 LEU 5 HD23 LEU 5 -6.646 5.169 3.823 45 H GLN 6 HN GLN 6 -7.210 7.436 7.734 46 HA GLN 6 HA GLN 6 -4.506 8.428 8.290 47 1HB GLN 6 HB2 GLN 6 -4.858 7.766 10.576 48 2HB GLN 6 HB1 GLN 6 -6.225 8.741 10.061 49 1HG GLN 6 HG2 GLN 6 -7.554 6.731 9.740 50 2HG GLN 6 HG1 GLN 6 -6.178 5.740 10.232 51 1HE2 GLN 6 HE21 GLN 6 -5.427 5.902 12.369 52 2HE2 GLN 6 HE22 GLN 6 -6.477 6.423 13.641 53 HA PRO 7 HA PRO 7 -2.267 4.647 7.582 54 1HB PRO 7 HB2 PRO 7 -2.339 4.246 10.556 55 2HB PRO 7 HB1 PRO 7 -1.003 3.991 9.424 56 1HG PRO 7 HG2 PRO 7 -1.134 6.213 10.887 57 2HG PRO 7 HG1 PRO 7 -0.577 6.258 9.206 58 1HD PRO 7 HD2 PRO 7 -3.107 7.239 10.375 59 2HD PRO 7 HD1 PRO 7 -2.280 7.741 8.888 60 H ASP 8 HN ASP 8 -4.885 4.343 10.008 61 HA ASP 8 HA ASP 8 -5.367 1.650 8.949 62 1HB ASP 8 HB2 ASP 8 -5.250 2.024 11.456 63 2HB ASP 8 HB1 ASP 8 -6.760 2.920 11.308 64 H SER 9 HN SER 9 -6.513 1.732 7.183 65 HA SER 9 HA SER 9 -9.172 2.642 7.067 66 1HB SER 9 HB2 SER 9 -7.840 4.837 6.993 67 2HB SER 9 HB1 SER 9 -7.279 4.313 5.405 68 HG SER 9 HG SER 9 -9.815 5.127 6.238 69 H LEU 10 HN LEU 10 -9.548 2.962 4.396 70 HA LEU 10 HA LEU 10 -8.383 0.491 3.320 71 1HB LEU 10 HB2 LEU 10 -10.496 -0.019 2.217 72 2HB LEU 10 HB1 LEU 10 -10.672 0.052 3.955 73 HG LEU 10 HG LEU 10 -11.416 2.412 2.246 74 1HD1 LEU 10 HD11 LEU 10 -13.718 1.555 2.213 75 2HD1 LEU 10 HD12 LEU 10 -13.154 0.041 2.920 76 3HD1 LEU 10 HD13 LEU 10 -12.612 0.517 1.312 77 1HD2 LEU 10 HD21 LEU 10 -12.328 1.416 4.945 78 2HD2 LEU 10 HD22 LEU 10 -12.977 2.827 4.112 79 3HD2 LEU 10 HD23 LEU 10 -11.294 2.809 4.637 80 H VAL 11 HN VAL 11 -7.060 0.989 1.788 81 HA VAL 11 HA VAL 11 -7.765 3.018 -0.216 82 HB VAL 11 HB VAL 11 -5.469 3.005 -0.892 83 1HG1 VAL 11 HG11 VAL 11 -5.937 4.330 1.079 84 2HG1 VAL 11 HG12 VAL 11 -4.316 3.644 1.172 85 3HG1 VAL 11 HG13 VAL 11 -5.628 2.938 2.116 86 1HG2 VAL 11 HG21 VAL 11 -5.019 0.630 -0.765 87 2HG2 VAL 11 HG22 VAL 11 -5.082 0.690 0.997 88 3HG2 VAL 11 HG23 VAL 11 -3.795 1.530 0.131 89 H ASP 12 HN ASP 12 -7.246 2.372 -2.517 90 HA ASP 12 HA ASP 12 -7.575 -0.520 -2.916 91 1HB ASP 12 HB2 ASP 12 -9.251 -0.285 -4.476 92 2HB ASP 12 HB1 ASP 12 -9.640 1.045 -3.393 93 H LEU 13 HN LEU 13 -7.021 -1.132 -5.258 94 HA LEU 13 HA LEU 13 -4.318 -0.839 -5.608 95 1HB LEU 13 HB2 LEU 13 -6.394 -1.417 -7.708 96 2HB LEU 13 HB1 LEU 13 -4.673 -1.676 -7.909 97 HG LEU 13 HG LEU 13 -6.440 -3.086 -5.904 98 1HD1 LEU 13 HD11 LEU 13 -5.133 -4.084 -8.431 99 2HD1 LEU 13 HD12 LEU 13 -6.857 -3.796 -8.198 100 3HD1 LEU 13 HD13 LEU 13 -6.043 -5.062 -7.279 101 1HD2 LEU 13 HD21 LEU 13 -3.518 -3.461 -6.553 102 2HD2 LEU 13 HD22 LEU 13 -4.471 -4.479 -5.474 103 3HD2 LEU 13 HD23 LEU 13 -4.173 -2.790 -5.061 104 H LYS 14 HN LYS 14 -6.875 1.072 -7.169 105 HA LYS 14 HA LYS 14 -5.300 2.555 -8.961 106 1HB LYS 14 HB2 LYS 14 -7.702 3.490 -7.378 107 2HB LYS 14 HB1 LYS 14 -7.079 4.243 -8.842 108 1HG LYS 14 HG2 LYS 14 -7.683 2.289 -10.140 109 2HG LYS 14 HG1 LYS 14 -8.238 1.472 -8.674 110 1HD LYS 14 HD2 LYS 14 -9.872 3.313 -8.338 111 2HD LYS 14 HD1 LYS 14 -9.376 3.983 -9.892 112 1HE LYS 14 HE2 LYS 14 -10.094 1.950 -11.018 113 2HE LYS 14 HE1 LYS 14 -10.546 1.237 -9.470 114 1HZ LYS 14 HZ1 LYS 14 -11.764 3.657 -10.689 115 2HZ LYS 14 HZ2 LYS 14 -12.188 2.996 -9.188 116 3HZ LYS 14 HZ3 LYS 14 -12.473 2.119 -10.611 117 H PHE 15 HN PHE 15 -6.301 3.152 -5.689 118 HA PHE 15 HA PHE 15 -5.184 5.680 -5.356 119 1HB PHE 15 HB2 PHE 15 -6.967 4.657 -3.996 120 2HB PHE 15 HB1 PHE 15 -5.784 3.569 -3.296 121 HD1 PHE 15 HD1 PHE 15 -6.912 7.069 -3.500 122 HD2 PHE 15 HD2 PHE 15 -4.293 4.309 -1.600 123 HE1 PHE 15 HE1 PHE 15 -6.420 8.738 -1.758 124 HE2 PHE 15 HE2 PHE 15 -3.796 5.975 0.145 125 HZ PHE 15 HZ PHE 15 -4.885 8.252 0.015 126 H ILE 16 HN ILE 16 -3.868 2.441 -4.544 127 HA ILE 16 HA ILE 16 -1.449 3.219 -3.440 128 HB ILE 16 HB ILE 16 -1.513 0.954 -5.407 129 1HG1 ILE 16 HG12 ILE 16 -2.570 0.899 -2.565 130 2HG1 ILE 16 HG11 ILE 16 -3.545 0.730 -4.020 131 1HG2 ILE 16 HG21 ILE 16 0.076 -0.005 -3.789 132 2HG2 ILE 16 HG22 ILE 16 -0.099 1.430 -2.780 133 3HG2 ILE 16 HG23 ILE 16 0.614 1.564 -4.391 134 1HD1 ILE 16 HD11 ILE 16 -3.152 -1.421 -2.979 135 2HD1 ILE 16 HD12 ILE 16 -1.409 -1.179 -3.087 136 3HD1 ILE 16 HD13 ILE 16 -2.367 -1.349 -4.559 137 H MET 17 HN MET 17 -2.345 2.902 -6.845 138 HA MET 17 HA MET 17 0.183 3.552 -7.920 139 1HB MET 17 HB2 MET 17 -2.571 3.875 -9.127 140 2HB MET 17 HB1 MET 17 -1.062 4.050 -10.014 141 1HG MET 17 HG2 MET 17 -0.511 1.706 -9.433 142 2HG MET 17 HG1 MET 17 -2.102 1.555 -8.690 143 1HE MET 17 HE1 MET 17 -4.386 1.763 -10.050 144 2HE MET 17 HE2 MET 17 -4.467 2.047 -11.789 145 3HE MET 17 HE3 MET 17 -3.882 3.317 -10.716 146 H ALA 18 HN ALA 18 -2.449 5.497 -6.732 147 HA ALA 18 HA ALA 18 -1.515 7.985 -7.746 148 1HB ALA 18 HB1 ALA 18 -3.034 9.000 -6.127 149 2HB ALA 18 HB2 ALA 18 -3.253 7.436 -5.341 150 3HB ALA 18 HB3 ALA 18 -3.821 7.680 -6.993 151 H ASP 19 HN ASP 19 -1.003 6.198 -4.746 152 HA ASP 19 HA ASP 19 0.534 8.129 -3.392 153 1HB ASP 19 HB2 ASP 19 0.442 5.120 -3.188 154 2HB ASP 19 HB1 ASP 19 1.501 6.090 -2.176 155 H THR 20 HN THR 20 1.382 5.714 -5.788 156 HA THR 20 HA THR 20 4.214 6.463 -5.486 157 HB THR 20 HB THR 20 4.670 4.222 -6.576 158 HG1 THR 20 HG1 THR 20 2.006 3.604 -5.778 159 1HG2 THR 20 HG21 THR 20 3.244 4.234 -3.916 160 2HG2 THR 20 HG22 THR 20 4.951 4.598 -4.177 161 3HG2 THR 20 HG23 THR 20 4.336 2.975 -4.493 162 H GLY 21 HN GLY 21 2.232 4.964 -8.017 163 1HA GLY 21 HA2 GLY 21 1.915 6.132 -10.162 164 2HA GLY 21 HA1 GLY 21 3.564 6.724 -9.983 165 H PHE 22 HN PHE 22 2.785 3.494 -9.031 166 HA PHE 22 HA PHE 22 4.219 2.477 -11.392 167 1HB PHE 22 HB2 PHE 22 4.600 1.585 -8.528 168 2HB PHE 22 HB1 PHE 22 5.375 0.864 -9.935 169 HD1 PHE 22 HD1 PHE 22 5.496 3.469 -7.478 170 HD2 PHE 22 HD2 PHE 22 6.977 2.256 -11.279 171 HE1 PHE 22 HE1 PHE 22 7.354 5.069 -7.262 172 HE2 PHE 22 HE2 PHE 22 8.838 3.851 -11.070 173 HZ PHE 22 HZ PHE 22 9.029 5.262 -9.060 174 H GLY 23 HN GLY 23 4.107 -0.140 -11.132 175 1HA GLY 23 HA2 GLY 23 1.208 -0.625 -11.223 176 2HA GLY 23 HA1 GLY 23 2.417 -1.514 -12.132 177 H LYS 24 HN LYS 24 0.985 -3.226 -11.202 178 HA LYS 24 HA LYS 24 0.552 -3.872 -8.599 179 1HB LYS 24 HB2 LYS 24 1.207 -5.866 -10.768 180 2HB LYS 24 HB1 LYS 24 0.301 -6.185 -9.299 181 1HG LYS 24 HG2 LYS 24 -0.553 -4.384 -11.554 182 2HG LYS 24 HG1 LYS 24 -1.160 -6.006 -11.228 183 1HD LYS 24 HD2 LYS 24 -1.842 -5.096 -8.936 184 2HD LYS 24 HD1 LYS 24 -1.566 -3.496 -9.629 185 1HE LYS 24 HE2 LYS 24 -3.514 -5.589 -10.587 186 2HE LYS 24 HE1 LYS 24 -3.901 -4.042 -9.836 187 1HZ LYS 24 HZ1 LYS 24 -2.985 -2.904 -11.748 188 2HZ LYS 24 HZ2 LYS 24 -4.187 -3.998 -12.247 189 3HZ LYS 24 HZ3 LYS 24 -2.551 -4.382 -12.466 190 H THR 25 HN THR 25 3.309 -5.092 -10.503 191 HA THR 25 HA THR 25 4.280 -6.798 -8.543 192 HB THR 25 HB THR 25 4.925 -6.921 -10.923 193 HG1 THR 25 HG1 THR 25 6.486 -8.068 -10.120 194 1HG2 THR 25 HG21 THR 25 6.694 -4.561 -10.287 195 2HG2 THR 25 HG22 THR 25 5.306 -4.555 -11.375 196 3HG2 THR 25 HG23 THR 25 6.739 -5.504 -11.777 197 H PHE 26 HN PHE 26 5.125 -3.394 -9.141 198 HA PHE 26 HA PHE 26 7.225 -3.234 -7.292 199 1HB PHE 26 HB2 PHE 26 7.028 -1.490 -8.888 200 2HB PHE 26 HB1 PHE 26 5.339 -1.208 -8.488 201 HD1 PHE 26 HD1 PHE 26 4.720 0.175 -6.626 202 HD2 PHE 26 HD2 PHE 26 8.792 -0.707 -7.450 203 HE1 PHE 26 HE1 PHE 26 5.416 1.964 -5.075 204 HE2 PHE 26 HE2 PHE 26 9.501 1.068 -5.904 205 HZ PHE 26 HZ PHE 26 7.718 2.421 -4.684 206 H ILE 27 HN ILE 27 3.756 -2.582 -7.037 207 HA ILE 27 HA ILE 27 3.674 -1.609 -4.436 208 HB ILE 27 HB ILE 27 1.587 -3.299 -5.828 209 1HG1 ILE 27 HG12 ILE 27 1.854 -0.284 -5.696 210 2HG1 ILE 27 HG11 ILE 27 2.282 -1.268 -7.092 211 1HG2 ILE 27 HG21 ILE 27 1.150 -3.185 -3.457 212 2HG2 ILE 27 HG22 ILE 27 -0.003 -2.161 -4.311 213 3HG2 ILE 27 HG23 ILE 27 1.362 -1.433 -3.462 214 1HD1 ILE 27 HD11 ILE 27 -0.025 -1.976 -7.324 215 2HD1 ILE 27 HD12 ILE 27 0.101 -0.215 -7.347 216 3HD1 ILE 27 HD13 ILE 27 -0.468 -1.041 -5.895 217 H TYR 28 HN TYR 28 2.942 -4.931 -5.480 218 HA TYR 28 HA TYR 28 2.516 -5.892 -2.896 219 1HB TYR 28 HB2 TYR 28 3.227 -7.320 -5.459 220 2HB TYR 28 HB1 TYR 28 2.846 -8.172 -3.965 221 HD1 TYR 28 HD1 TYR 28 1.357 -5.327 -5.914 222 HD2 TYR 28 HD2 TYR 28 0.687 -9.013 -3.888 223 HE1 TYR 28 HE1 TYR 28 -1.035 -5.192 -6.461 224 HE2 TYR 28 HE2 TYR 28 -1.701 -8.887 -4.439 225 HH TYR 28 HH TYR 28 -2.945 -6.687 -6.710 226 H ASP 29 HN ASP 29 5.479 -5.821 -4.844 227 HA ASP 29 HA ASP 29 7.071 -7.305 -3.037 228 1HB ASP 29 HB2 ASP 29 7.784 -6.857 -5.350 229 2HB ASP 29 HB1 ASP 29 7.923 -5.142 -4.977 230 H ARG 30 HN ARG 30 6.622 -3.797 -3.441 231 HA ARG 30 HA ARG 30 8.450 -2.994 -1.457 232 1HB ARG 30 HB2 ARG 30 5.960 -1.570 -2.409 233 2HB ARG 30 HB1 ARG 30 7.235 -0.839 -1.451 234 1HG ARG 30 HG2 ARG 30 7.571 -1.954 -4.218 235 2HG ARG 30 HG1 ARG 30 7.330 -0.253 -3.827 236 1HD ARG 30 HD2 ARG 30 9.600 -0.286 -3.976 237 2HD ARG 30 HD1 ARG 30 9.419 -0.686 -2.269 238 HE ARG 30 HE ARG 30 9.583 -3.081 -3.096 239 1HH1 ARG 30 HH11 ARG 30 11.224 -0.385 -4.638 240 2HH1 ARG 30 HH12 ARG 30 12.465 -1.388 -5.324 241 1HH2 ARG 30 HH21 ARG 30 11.188 -4.388 -4.048 242 2HH2 ARG 30 HH22 ARG 30 12.461 -3.634 -4.982 243 H ILE 31 HN ILE 31 4.918 -3.379 -1.315 244 HA ILE 31 HA ILE 31 4.688 -2.419 1.318 245 HB ILE 31 HB ILE 31 2.805 -4.015 -0.411 246 1HG1 ILE 31 HG12 ILE 31 1.428 -1.931 -0.202 247 2HG1 ILE 31 HG11 ILE 31 2.731 -1.200 0.727 248 1HG2 ILE 31 HG21 ILE 31 1.097 -3.787 1.300 249 2HG2 ILE 31 HG22 ILE 31 2.267 -3.035 2.385 250 3HG2 ILE 31 HG23 ILE 31 2.462 -4.725 1.912 251 1HD1 ILE 31 HD11 ILE 31 4.186 -1.337 -1.216 252 2HD1 ILE 31 HD12 ILE 31 2.715 -0.424 -1.558 253 3HD1 ILE 31 HD13 ILE 31 2.880 -2.081 -2.139 254 H LYS 32 HN LYS 32 4.904 -5.750 0.071 255 HA LYS 32 HA LYS 32 4.704 -7.060 2.556 256 1HB LYS 32 HB2 LYS 32 6.134 -7.807 0.026 257 2HB LYS 32 HB1 LYS 32 6.051 -8.866 1.424 258 1HG LYS 32 HG2 LYS 32 3.614 -8.884 1.253 259 2HG LYS 32 HG1 LYS 32 3.724 -7.850 -0.182 260 1HD LYS 32 HD2 LYS 32 5.093 -9.519 -1.282 261 2HD LYS 32 HD1 LYS 32 5.007 -10.541 0.149 262 1HE LYS 32 HE2 LYS 32 2.616 -10.796 -0.136 263 2HE LYS 32 HE1 LYS 32 2.640 -9.685 -1.509 264 1HZ LYS 32 HZ1 LYS 32 2.625 -12.161 -2.012 265 2HZ LYS 32 HZ2 LYS 32 4.243 -12.173 -1.501 266 3HZ LYS 32 HZ3 LYS 32 3.779 -11.222 -2.822 267 H SER 33 HN SER 33 7.558 -6.066 0.701 268 HA SER 33 HA SER 33 9.454 -6.965 2.570 269 1HB SER 33 HB2 SER 33 9.932 -6.461 0.174 270 2HB SER 33 HB1 SER 33 9.760 -4.744 0.533 271 HG SER 33 HG SER 33 11.661 -6.527 1.681 272 H GLY 34 HN GLY 34 7.598 -4.027 2.303 273 1HA GLY 34 HA2 GLY 34 8.967 -2.478 4.222 274 2HA GLY 34 HA1 GLY 34 7.262 -2.330 3.808 275 H ASP 35 HN ASP 35 5.921 -4.305 4.650 276 HA ASP 35 HA ASP 35 6.697 -5.711 6.935 277 1HB ASP 35 HB2 ASP 35 6.813 -3.325 7.864 278 2HB ASP 35 HB1 ASP 35 5.058 -3.300 7.716 279 H LEU 36 HN LEU 36 5.513 -7.131 5.643 280 HA LEU 36 HA LEU 36 3.547 -8.156 4.858 281 1HB LEU 36 HB2 LEU 36 3.431 -8.254 7.860 282 2HB LEU 36 HB1 LEU 36 2.641 -9.378 6.771 283 HG LEU 36 HG LEU 36 5.617 -9.026 7.144 284 1HD1 LEU 36 HD11 LEU 36 5.517 -11.328 7.954 285 2HD1 LEU 36 HD12 LEU 36 3.765 -11.327 7.745 286 3HD1 LEU 36 HD13 LEU 36 4.511 -10.257 8.931 287 1HD2 LEU 36 HD21 LEU 36 5.070 -9.458 4.797 288 2HD2 LEU 36 HD22 LEU 36 4.128 -10.870 5.278 289 3HD2 LEU 36 HD23 LEU 36 5.871 -10.841 5.543 290 HA PRO 37 HA PRO 37 0.489 -4.838 4.863 291 1HB PRO 37 HB2 PRO 37 -1.177 -6.195 3.085 292 2HB PRO 37 HB1 PRO 37 0.100 -5.060 2.639 293 1HG PRO 37 HG2 PRO 37 0.146 -8.041 2.703 294 2HG PRO 37 HG1 PRO 37 0.907 -6.928 1.550 295 1HD PRO 37 HD2 PRO 37 2.334 -8.159 3.445 296 2HD PRO 37 HD1 PRO 37 2.693 -6.487 2.964 297 H LYS 38 HN LYS 38 -1.183 -4.513 6.118 298 HA LYS 38 HA LYS 38 -2.489 -6.792 7.385 299 1HB LYS 38 HB2 LYS 38 -2.618 -3.828 7.968 300 2HB LYS 38 HB1 LYS 38 -3.526 -5.046 8.856 301 1HG LYS 38 HG2 LYS 38 -1.627 -4.539 10.165 302 2HG LYS 38 HG1 LYS 38 -1.306 -6.110 9.426 303 1HD LYS 38 HD2 LYS 38 0.000 -4.980 7.672 304 2HD LYS 38 HD1 LYS 38 -0.263 -3.438 8.490 305 1HE LYS 38 HE2 LYS 38 0.893 -4.325 10.477 306 2HE LYS 38 HE1 LYS 38 1.192 -5.834 9.614 307 1HZ LYS 38 HZ1 LYS 38 2.407 -4.494 7.927 308 2HZ LYS 38 HZ2 LYS 38 3.141 -4.502 9.455 309 3HZ LYS 38 HZ3 LYS 38 2.262 -3.146 8.945 310 H ALA 39 HN ALA 39 -2.869 -4.901 4.722 311 HA ALA 39 HA ALA 39 -5.435 -4.361 4.204 312 1HB ALA 39 HB1 ALA 39 -5.055 -5.095 1.910 313 2HB ALA 39 HB2 ALA 39 -3.643 -6.014 2.434 314 3HB ALA 39 HB3 ALA 39 -3.643 -4.255 2.552 315 H LYS 40 HN LYS 40 -7.241 -5.541 3.275 316 HA LYS 40 HA LYS 40 -7.469 -8.162 4.568 317 1HB LYS 40 HB2 LYS 40 -9.520 -6.056 3.933 318 2HB LYS 40 HB1 LYS 40 -9.989 -7.716 4.271 319 1HG LYS 40 HG2 LYS 40 -10.202 -6.529 6.294 320 2HG LYS 40 HG1 LYS 40 -8.746 -7.511 6.446 321 1HD LYS 40 HD2 LYS 40 -7.419 -5.490 5.772 322 2HD LYS 40 HD1 LYS 40 -8.913 -4.555 5.881 323 1HE LYS 40 HE2 LYS 40 -7.720 -4.289 7.935 324 2HE LYS 40 HE1 LYS 40 -9.130 -5.297 8.248 325 1HZ LYS 40 HZ1 LYS 40 -6.361 -6.292 7.833 326 2HZ LYS 40 HZ2 LYS 40 -7.716 -7.252 8.167 327 3HZ LYS 40 HZ3 LYS 40 -7.144 -6.158 9.330 328 H VAL 41 HN VAL 41 -6.521 -9.285 2.940 329 HA VAL 41 HA VAL 41 -7.565 -9.139 0.244 330 HB VAL 41 HB VAL 41 -5.440 -10.939 1.436 331 1HG1 VAL 41 HG11 VAL 41 -6.134 -10.395 -1.444 332 2HG1 VAL 41 HG12 VAL 41 -6.406 -11.902 -0.568 333 3HG1 VAL 41 HG13 VAL 41 -4.760 -11.347 -0.876 334 1HG2 VAL 41 HG21 VAL 41 -4.799 -8.602 1.567 335 2HG2 VAL 41 HG22 VAL 41 -5.173 -8.382 -0.142 336 3HG2 VAL 41 HG23 VAL 41 -3.840 -9.430 0.341 337 H ILE 42 HN ILE 42 -9.668 -9.908 0.461 338 HA ILE 42 HA ILE 42 -10.023 -12.607 1.539 339 HB ILE 42 HB ILE 42 -11.510 -10.818 2.401 340 1HG1 ILE 42 HG12 ILE 42 -13.637 -12.046 2.134 341 2HG1 ILE 42 HG11 ILE 42 -12.931 -12.963 0.806 342 1HG2 ILE 42 HG21 ILE 42 -12.577 -10.732 -0.414 343 2HG2 ILE 42 HG22 ILE 42 -11.679 -9.454 0.402 344 3HG2 ILE 42 HG23 ILE 42 -13.282 -9.909 0.979 345 1HD1 ILE 42 HD11 ILE 42 -11.263 -13.878 2.362 346 2HD1 ILE 42 HD12 ILE 42 -12.918 -14.277 2.825 347 3HD1 ILE 42 HD13 ILE 42 -12.047 -13.004 3.682 348 H HIS 43 HN HIS 43 -9.841 -10.873 -1.391 349 HA HIS 43 HA HIS 43 -10.462 -13.327 -2.828 350 1HB HIS 43 HB2 HIS 43 -12.479 -11.746 -2.832 351 2HB HIS 43 HB1 HIS 43 -11.503 -10.685 -3.845 352 HD1 HIS 43 HD1 HIS 43 -11.654 -11.103 -6.307 353 HD2 HIS 43 HD2 HIS 43 -12.825 -14.405 -4.065 354 HE1 HIS 43 HE1 HIS 43 -12.489 -12.794 -7.972 355 HE2 HIS 43 HE2 HIS 43 -12.939 -14.865 -6.605 356 H GLY 44 HN GLY 44 -7.983 -12.805 -2.405 357 1HA GLY 44 HA2 GLY 44 -6.016 -12.803 -3.606 358 2HA GLY 44 HA1 GLY 44 -6.926 -12.372 -5.042 359 H ARG 45 HN ARG 45 -8.072 -9.974 -3.768 360 HA ARG 45 HA ARG 45 -5.742 -8.290 -3.228 361 1HB ARG 45 HB2 ARG 45 -7.754 -7.670 -5.417 362 2HB ARG 45 HB1 ARG 45 -6.434 -6.624 -4.909 363 1HG ARG 45 HG2 ARG 45 -4.806 -8.087 -5.775 364 2HG ARG 45 HG1 ARG 45 -5.974 -9.393 -5.963 365 1HD ARG 45 HD2 ARG 45 -7.162 -7.730 -7.575 366 2HD ARG 45 HD1 ARG 45 -5.581 -6.942 -7.624 367 HE ARG 45 HE ARG 45 -4.697 -9.191 -8.306 368 1HH1 ARG 45 HH11 ARG 45 -7.970 -8.168 -9.022 369 2HH1 ARG 45 HH12 ARG 45 -8.221 -9.377 -10.250 370 1HH2 ARG 45 HH21 ARG 45 -4.997 -10.754 -9.969 371 2HH2 ARG 45 HH22 ARG 45 -6.530 -10.844 -10.787 372 H ALA 46 HN ALA 46 -9.164 -7.785 -4.041 373 HA ALA 46 HA ALA 46 -10.919 -6.906 -2.947 374 1HB ALA 46 HB1 ALA 46 -11.181 -7.379 -0.583 375 2HB ALA 46 HB2 ALA 46 -9.471 -7.797 -0.464 376 3HB ALA 46 HB3 ALA 46 -10.554 -8.785 -1.443 377 H ARG 47 HN ARG 47 -8.865 -6.068 -0.208 378 HA ARG 47 HA ARG 47 -8.935 -3.262 -1.023 379 1HB ARG 47 HB2 ARG 47 -9.890 -2.564 1.128 380 2HB ARG 47 HB1 ARG 47 -11.003 -3.589 0.232 381 1HG ARG 47 HG2 ARG 47 -10.279 -5.505 1.620 382 2HG ARG 47 HG1 ARG 47 -9.291 -4.392 2.567 383 1HD ARG 47 HD2 ARG 47 -11.374 -4.753 3.711 384 2HD ARG 47 HD1 ARG 47 -11.334 -3.100 3.101 385 HE ARG 47 HE ARG 47 -12.601 -4.585 1.154 386 1HH1 ARG 47 HH11 ARG 47 -13.124 -3.830 4.541 387 2HH1 ARG 47 HH12 ARG 47 -14.855 -3.959 4.429 388 1HH2 ARG 47 HH21 ARG 47 -14.880 -4.806 1.025 389 2HH2 ARG 47 HH22 ARG 47 -15.850 -4.517 2.442 390 H TRP 48 HN TRP 48 -7.329 -2.007 -0.117 391 HA TRP 48 HA TRP 48 -5.299 -3.539 1.368 392 1HB TRP 48 HB2 TRP 48 -4.966 -2.519 -1.103 393 2HB TRP 48 HB1 TRP 48 -4.514 -1.104 -0.155 394 HD1 TRP 48 HD1 TRP 48 -2.537 -1.698 1.813 395 HE1 TRP 48 HE1 TRP 48 -0.439 -3.152 1.529 396 HE3 TRP 48 HE3 TRP 48 -3.945 -4.330 -2.332 397 HZ2 TRP 48 HZ2 TRP 48 0.518 -5.129 -0.253 398 HZ3 TRP 48 HZ3 TRP 48 -2.374 -5.976 -3.275 399 HH2 TRP 48 HH2 TRP 48 -0.192 -6.365 -2.256 400 H LEU 49 HN LEU 49 -4.102 -2.387 3.011 401 HA LEU 49 HA LEU 49 -5.638 -0.184 4.139 402 1HB LEU 49 HB2 LEU 49 -3.858 -2.263 5.231 403 2HB LEU 49 HB1 LEU 49 -3.783 -0.697 6.014 404 HG LEU 49 HG LEU 49 -6.227 -0.786 6.374 405 1HD1 LEU 49 HD11 LEU 49 -6.823 -2.252 4.531 406 2HD1 LEU 49 HD12 LEU 49 -7.417 -2.882 6.068 407 3HD1 LEU 49 HD13 LEU 49 -5.987 -3.590 5.319 408 1HD2 LEU 49 HD21 LEU 49 -6.175 -2.480 8.140 409 2HD2 LEU 49 HD22 LEU 49 -4.722 -1.481 8.133 410 3HD2 LEU 49 HD23 LEU 49 -4.670 -3.116 7.473 411 H TYR 50 HN TYR 50 -4.672 1.725 4.850 412 HA TYR 50 HA TYR 50 -2.712 2.707 3.026 413 1HB TYR 50 HB2 TYR 50 -4.596 4.074 3.996 414 2HB TYR 50 HB1 TYR 50 -3.708 4.094 5.518 415 HD1 TYR 50 HD1 TYR 50 -3.490 5.087 1.941 416 HD2 TYR 50 HD2 TYR 50 -1.988 5.641 5.886 417 HE1 TYR 50 HE1 TYR 50 -2.202 7.040 1.172 418 HE2 TYR 50 HE2 TYR 50 -0.707 7.601 5.128 419 HH TYR 50 HH TYR 50 -1.202 9.083 2.101 420 H ARG 51 HN ARG 51 -2.724 1.737 6.404 421 HA ARG 51 HA ARG 51 -0.223 2.521 7.234 422 1HB ARG 51 HB2 ARG 51 -0.269 0.728 8.824 423 2HB ARG 51 HB1 ARG 51 -1.906 1.344 8.644 424 1HG ARG 51 HG2 ARG 51 -2.563 -0.518 7.352 425 2HG ARG 51 HG1 ARG 51 -0.890 -1.059 7.157 426 1HD ARG 51 HD2 ARG 51 -1.791 -2.467 8.794 427 2HD ARG 51 HD1 ARG 51 -0.855 -1.282 9.696 428 HE ARG 51 HE ARG 51 -3.587 -0.511 9.449 429 1HH1 ARG 51 HH11 ARG 51 -1.373 -2.503 11.264 430 2HH1 ARG 51 HH12 ARG 51 -2.430 -2.675 12.633 431 1HH2 ARG 51 HH21 ARG 51 -5.006 -0.717 11.239 432 2HH2 ARG 51 HH22 ARG 51 -4.481 -1.625 12.635 433 H ASP 52 HN ASP 52 -1.089 -0.225 5.199 434 HA ASP 52 HA ASP 52 1.425 -1.480 5.172 435 1HB ASP 52 HB2 ASP 52 -0.657 -1.479 2.981 436 2HB ASP 52 HB1 ASP 52 0.614 -2.675 3.220 437 H HIS 53 HN HIS 53 0.125 1.225 3.444 438 HA HIS 53 HA HIS 53 2.276 1.373 1.549 439 1HB HIS 53 HB2 HIS 53 0.249 3.466 2.398 440 2HB HIS 53 HB1 HIS 53 1.398 3.663 1.079 441 HD1 HIS 53 HD1 HIS 53 -1.022 4.030 -0.244 442 HD2 HIS 53 HD2 HIS 53 0.028 0.158 0.905 443 HE1 HIS 53 HE1 HIS 53 -2.534 2.488 -1.526 444 HE2 HIS 53 HE2 HIS 53 -1.958 0.173 -0.737 445 H CYS 54 HN CYS 54 1.506 2.729 4.696 446 HA CYS 54 HA CYS 54 3.713 4.472 4.922 447 1HB CYS 54 HB2 CYS 54 2.394 2.929 7.167 448 2HB CYS 54 HB1 CYS 54 3.295 4.435 7.301 449 HG CYS 54 HG CYS 54 0.389 4.230 5.511 450 H GLU 55 HN GLU 55 3.275 1.046 5.655 451 HA GLU 55 HA GLU 55 5.790 0.585 6.832 452 1HB GLU 55 HB2 GLU 55 4.140 -1.418 5.286 453 2HB GLU 55 HB1 GLU 55 5.317 -1.757 6.543 454 1HG GLU 55 HG2 GLU 55 2.759 -0.245 7.003 455 2HG GLU 55 HG1 GLU 55 2.935 -1.979 7.230 456 H PHE 56 HN PHE 56 4.642 0.119 3.486 457 HA PHE 56 HA PHE 56 7.117 -0.826 2.540 458 1HB PHE 56 HB2 PHE 56 6.093 -1.069 0.545 459 2HB PHE 56 HB1 PHE 56 4.641 -0.736 1.475 460 HD1 PHE 56 HD1 PHE 56 7.225 0.937 -0.612 461 HD2 PHE 56 HD2 PHE 56 3.235 0.951 0.851 462 HE1 PHE 56 HE1 PHE 56 6.692 2.806 -2.106 463 HE2 PHE 56 HE2 PHE 56 2.696 2.839 -0.638 464 HZ PHE 56 HZ PHE 56 4.438 3.769 -2.107 465 H LYS 57 HN LYS 57 5.698 2.428 2.500 466 HA LYS 57 HA LYS 57 7.788 3.792 1.257 467 1HB LYS 57 HB2 LYS 57 5.789 4.619 3.341 468 2HB LYS 57 HB1 LYS 57 6.991 5.745 2.727 469 1HG LYS 57 HG2 LYS 57 5.026 4.262 1.010 470 2HG LYS 57 HG1 LYS 57 4.790 5.904 1.613 471 1HD LYS 57 HD2 LYS 57 7.185 5.081 -0.011 472 2HD LYS 57 HD1 LYS 57 5.702 5.698 -0.744 473 1HE LYS 57 HE2 LYS 57 7.395 7.152 1.288 474 2HE LYS 57 HE1 LYS 57 7.405 7.450 -0.448 475 1HZ LYS 57 HZ1 LYS 57 6.022 9.066 0.621 476 2HZ LYS 57 HZ2 LYS 57 5.125 7.864 1.409 477 3HZ LYS 57 HZ3 LYS 57 5.025 8.024 -0.278 478 H ASN 58 HN ASN 58 7.316 2.843 4.567 479 HA ASN 58 HA ASN 58 9.424 4.058 5.845 480 1HB ASN 58 HB2 ASN 58 7.765 2.854 7.055 481 2HB ASN 58 HB1 ASN 58 8.119 1.366 6.186 482 1HD2 ASN 58 HD21 ASN 58 8.554 0.121 7.873 483 2HD2 ASN 58 HD22 ASN 58 9.922 0.326 8.918 484 H LYS 59 HN LYS 59 9.449 1.109 3.873 485 HA LYS 59 HA LYS 59 12.203 0.581 4.477 486 1HB LYS 59 HB2 LYS 59 11.247 -1.437 4.166 487 2HB LYS 59 HB1 LYS 59 9.950 -0.778 3.180 488 1HG LYS 59 HG2 LYS 59 12.474 -0.689 1.819 489 2HG LYS 59 HG1 LYS 59 12.063 -2.328 2.323 490 1HD LYS 59 HD2 LYS 59 9.902 -2.131 1.219 491 2HD LYS 59 HD1 LYS 59 10.274 -0.466 0.763 492 1HE LYS 59 HE2 LYS 59 10.623 -2.058 -1.090 493 2HE LYS 59 HE1 LYS 59 12.102 -1.215 -0.628 494 1HZ LYS 59 HZ1 LYS 59 12.848 -3.147 0.563 495 2HZ LYS 59 HZ2 LYS 59 12.421 -3.632 -1.005 496 3HZ LYS 59 HZ3 LYS 59 11.385 -3.950 0.295 497 H LEU 60 HN LEU 60 10.299 1.805 1.747 498 HA LEU 60 HA LEU 60 12.484 2.023 -0.050 499 1HB LEU 60 HB2 LEU 60 9.740 3.198 0.056 500 2HB LEU 60 HB1 LEU 60 10.897 3.811 -1.107 501 HG LEU 60 HG LEU 60 9.865 0.972 -0.935 502 1HD1 LEU 60 HD11 LEU 60 8.870 1.458 -3.072 503 2HD1 LEU 60 HD12 LEU 60 9.515 3.101 -3.027 504 3HD1 LEU 60 HD13 LEU 60 8.299 2.598 -1.854 505 1HD2 LEU 60 HD21 LEU 60 11.885 2.209 -2.804 506 2HD2 LEU 60 HD22 LEU 60 11.162 0.611 -2.995 507 3HD2 LEU 60 HD23 LEU 60 12.197 0.952 -1.605 508 H LEU 61 HN LEU 61 11.343 3.987 2.550 509 HA LEU 61 HA LEU 61 12.424 6.468 1.872 510 1HB LEU 61 HB2 LEU 61 10.877 6.039 3.751 511 2HB LEU 61 HB1 LEU 61 12.173 5.237 4.613 512 HG LEU 61 HG LEU 61 13.429 7.357 4.675 513 1HD1 LEU 61 HD11 LEU 61 12.509 8.380 2.658 514 2HD1 LEU 61 HD12 LEU 61 12.321 9.439 4.056 515 3HD1 LEU 61 HD13 LEU 61 10.937 8.529 3.446 516 1HD2 LEU 61 HD21 LEU 61 10.622 7.529 5.764 517 2HD2 LEU 61 HD22 LEU 61 12.004 8.478 6.311 518 3HD2 LEU 61 HD23 LEU 61 11.991 6.729 6.539 519 H SER 62 HN SER 62 13.914 3.620 3.263 520 HA SER 62 HA SER 62 16.380 4.840 3.969 521 1HB SER 62 HB2 SER 62 15.916 1.923 3.309 522 2HB SER 62 HB1 SER 62 17.168 2.602 4.350 523 HG SER 62 HG SER 62 15.314 1.689 5.471 524 H ARG 63 HN ARG 63 15.028 3.952 0.981 525 HA ARG 63 HA ARG 63 17.657 3.666 -0.292 526 1HB ARG 63 HB2 ARG 63 14.899 2.877 -1.226 527 2HB ARG 63 HB1 ARG 63 16.355 2.718 -2.194 528 1HG ARG 63 HG2 ARG 63 17.289 1.189 -0.526 529 2HG ARG 63 HG1 ARG 63 15.806 1.328 0.421 530 1HD ARG 63 HD2 ARG 63 14.530 0.405 -1.445 531 2HD ARG 63 HD1 ARG 63 16.006 0.287 -2.401 532 HE ARG 63 HE ARG 63 16.192 -1.101 0.101 533 1HH1 ARG 63 HH11 ARG 63 15.032 -1.362 -3.200 534 2HH1 ARG 63 HH12 ARG 63 15.161 -3.097 -3.238 535 1HH2 ARG 63 HH21 ARG 63 16.351 -3.361 0.055 536 2HH2 ARG 63 HH22 ARG 63 15.903 -4.236 -1.377 537 H ALA 64 HN ALA 64 14.572 5.374 -0.523 538 HA ALA 64 HA ALA 64 13.867 7.188 -1.673 539 1HB ALA 64 HB1 ALA 64 15.449 8.992 -2.080 540 2HB ALA 64 HB2 ALA 64 16.797 7.894 -1.778 541 3HB ALA 64 HB3 ALA 64 15.682 8.301 -0.475 542 H ASN 65 HN ASN 65 13.009 6.303 -3.468 543 HA ASN 65 HA ASN 65 14.738 5.364 -5.598 544 1HB ASN 65 HB2 ASN 65 12.636 4.565 -6.656 545 2HB ASN 65 HB1 ASN 65 12.893 3.925 -5.041 546 1HD2 ASN 65 HD21 ASN 65 10.736 3.444 -4.785 547 2HD2 ASN 65 HD22 ASN 65 9.526 4.661 -4.532 548 H GLY 66 HN GLY 66 13.426 8.269 -4.770 549 1HA GLY 66 HA2 GLY 66 14.368 9.734 -6.828 550 2HA GLY 66 HA1 GLY 66 12.808 9.194 -7.436 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -12.352 17.419 -5.394 2 2H MET 1 HT2 MET 1 -12.679 17.735 -3.764 3 3H MET 1 HT3 MET 1 -13.883 17.978 -4.931 4 HA MET 1 HA MET 1 -14.240 15.949 -3.657 5 1HB MET 1 HB2 MET 1 -15.013 16.144 -6.008 6 2HB MET 1 HB1 MET 1 -13.486 15.463 -6.549 7 1HG MET 1 HG2 MET 1 -15.176 13.763 -6.588 8 2HG MET 1 HG1 MET 1 -13.999 13.393 -5.328 9 1HE MET 1 HE1 MET 1 -17.317 11.985 -3.823 10 2HE MET 1 HE2 MET 1 -15.659 11.627 -4.308 11 3HE MET 1 HE3 MET 1 -16.875 11.997 -5.530 12 H GLN 2 HN GLN 2 -12.321 15.824 -2.254 13 HA GLN 2 HA GLN 2 -10.340 13.886 -3.239 14 1HB GLN 2 HB2 GLN 2 -10.259 15.858 -0.960 15 2HB GLN 2 HB1 GLN 2 -9.074 14.573 -1.143 16 1HG GLN 2 HG2 GLN 2 -9.619 16.742 -3.157 17 2HG GLN 2 HG1 GLN 2 -8.277 16.713 -2.013 18 1HE2 GLN 2 HE21 GLN 2 -8.215 16.787 -4.911 19 2HE2 GLN 2 HE22 GLN 2 -7.325 15.384 -5.412 20 H HIS 3 HN HIS 3 -9.950 12.009 -2.112 21 HA HIS 3 HA HIS 3 -12.079 11.222 -0.247 22 1HB HIS 3 HB2 HIS 3 -11.592 9.937 -2.434 23 2HB HIS 3 HB1 HIS 3 -10.136 9.368 -1.628 24 HD1 HIS 3 HD1 HIS 3 -11.924 7.195 -2.407 25 HD2 HIS 3 HD2 HIS 3 -12.511 9.270 1.155 26 HE1 HIS 3 HE1 HIS 3 -13.293 5.671 -0.944 27 HE2 HIS 3 HE2 HIS 3 -13.801 7.027 1.120 28 H GLU 4 HN GLU 4 -11.522 11.260 1.846 29 HA GLU 4 HA GLU 4 -8.651 11.309 2.465 30 1HB GLU 4 HB2 GLU 4 -11.015 12.346 4.032 31 2HB GLU 4 HB1 GLU 4 -9.348 12.401 4.588 32 1HG GLU 4 HG2 GLU 4 -10.452 13.778 2.153 33 2HG GLU 4 HG1 GLU 4 -10.047 14.541 3.689 34 H LEU 5 HN LEU 5 -7.737 9.907 3.758 35 HA LEU 5 HA LEU 5 -9.328 8.262 5.544 36 1HB LEU 5 HB2 LEU 5 -7.822 6.273 4.784 37 2HB LEU 5 HB1 LEU 5 -9.275 6.665 3.892 38 HG LEU 5 HG LEU 5 -7.936 7.782 2.169 39 1HD1 LEU 5 HD11 LEU 5 -5.559 6.893 3.794 40 2HD1 LEU 5 HD12 LEU 5 -6.080 8.559 3.536 41 3HD1 LEU 5 HD13 LEU 5 -5.501 7.597 2.176 42 1HD2 LEU 5 HD21 LEU 5 -8.409 5.280 2.190 43 2HD2 LEU 5 HD22 LEU 5 -6.722 5.080 2.684 44 3HD2 LEU 5 HD23 LEU 5 -7.109 5.846 1.142 45 H GLN 6 HN GLN 6 -7.897 7.028 7.050 46 HA GLN 6 HA GLN 6 -5.370 8.463 7.528 47 1HB GLN 6 HB2 GLN 6 -5.769 8.204 9.937 48 2HB GLN 6 HB1 GLN 6 -7.075 9.096 9.182 49 1HG GLN 6 HG2 GLN 6 -8.382 6.974 9.127 50 2HG GLN 6 HG1 GLN 6 -7.102 6.230 10.082 51 1HE2 GLN 6 HE21 GLN 6 -6.614 8.733 11.564 52 2HE2 GLN 6 HE22 GLN 6 -7.922 8.868 12.692 53 HA PRO 7 HA PRO 7 -2.696 4.937 7.736 54 1HB PRO 7 HB2 PRO 7 -3.247 4.905 10.689 55 2HB PRO 7 HB1 PRO 7 -1.727 4.594 9.836 56 1HG PRO 7 HG2 PRO 7 -2.255 7.002 10.885 57 2HG PRO 7 HG1 PRO 7 -1.377 6.826 9.357 58 1HD PRO 7 HD2 PRO 7 -4.070 7.872 9.838 59 2HD PRO 7 HD1 PRO 7 -3.047 8.031 8.401 60 H ASP 8 HN ASP 8 -5.466 4.448 9.985 61 HA ASP 8 HA ASP 8 -5.578 1.695 8.969 62 1HB ASP 8 HB2 ASP 8 -5.531 1.997 11.439 63 2HB ASP 8 HB1 ASP 8 -7.052 2.877 11.332 64 H SER 9 HN SER 9 -6.681 1.634 7.180 65 HA SER 9 HA SER 9 -9.417 2.140 6.942 66 1HB SER 9 HB2 SER 9 -8.646 4.532 7.035 67 2HB SER 9 HB1 SER 9 -7.692 4.241 5.579 68 HG SER 9 HG SER 9 -10.373 4.709 5.856 69 H LEU 10 HN LEU 10 -9.994 2.152 4.474 70 HA LEU 10 HA LEU 10 -8.279 0.104 3.267 71 1HB LEU 10 HB2 LEU 10 -11.194 0.745 2.817 72 2HB LEU 10 HB1 LEU 10 -10.302 -0.480 1.937 73 HG LEU 10 HG LEU 10 -10.824 -0.504 4.912 74 1HD1 LEU 10 HD11 LEU 10 -12.858 -0.876 3.637 75 2HD1 LEU 10 HD12 LEU 10 -12.323 -2.375 4.396 76 3HD1 LEU 10 HD13 LEU 10 -12.049 -2.112 2.672 77 1HD2 LEU 10 HD21 LEU 10 -9.560 -2.560 3.104 78 2HD2 LEU 10 HD22 LEU 10 -9.939 -2.781 4.812 79 3HD2 LEU 10 HD23 LEU 10 -8.728 -1.596 4.322 80 H VAL 11 HN VAL 11 -7.023 0.757 1.708 81 HA VAL 11 HA VAL 11 -7.837 2.957 -0.064 82 HB VAL 11 HB VAL 11 -5.567 3.218 -0.657 83 1HG1 VAL 11 HG11 VAL 11 -5.636 2.504 2.270 84 2HG1 VAL 11 HG12 VAL 11 -5.994 4.078 1.559 85 3HG1 VAL 11 HG13 VAL 11 -4.359 3.424 1.478 86 1HG2 VAL 11 HG21 VAL 11 -3.798 1.632 -0.042 87 2HG2 VAL 11 HG22 VAL 11 -5.024 0.891 -1.072 88 3HG2 VAL 11 HG23 VAL 11 -5.011 0.565 0.663 89 H ASP 12 HN ASP 12 -7.207 2.595 -2.412 90 HA ASP 12 HA ASP 12 -7.820 -0.181 -3.106 91 1HB ASP 12 HB2 ASP 12 -8.721 2.385 -4.382 92 2HB ASP 12 HB1 ASP 12 -8.748 0.869 -5.275 93 H LEU 13 HN LEU 13 -7.192 -0.798 -5.360 94 HA LEU 13 HA LEU 13 -4.435 -0.866 -5.557 95 1HB LEU 13 HB2 LEU 13 -6.498 -1.240 -7.715 96 2HB LEU 13 HB1 LEU 13 -4.815 -1.707 -7.858 97 HG LEU 13 HG LEU 13 -6.817 -2.857 -5.911 98 1HD1 LEU 13 HD11 LEU 13 -7.147 -3.573 -8.231 99 2HD1 LEU 13 HD12 LEU 13 -6.585 -4.895 -7.211 100 3HD1 LEU 13 HD13 LEU 13 -5.462 -4.087 -8.305 101 1HD2 LEU 13 HD21 LEU 13 -3.921 -3.574 -6.368 102 2HD2 LEU 13 HD22 LEU 13 -5.043 -4.416 -5.295 103 3HD2 LEU 13 HD23 LEU 13 -4.570 -2.752 -4.948 104 H LYS 14 HN LYS 14 -6.667 1.025 -7.603 105 HA LYS 14 HA LYS 14 -4.732 2.399 -9.071 106 1HB LYS 14 HB2 LYS 14 -7.120 2.362 -9.671 107 2HB LYS 14 HB1 LYS 14 -7.492 3.315 -8.240 108 1HG LYS 14 HG2 LYS 14 -6.166 5.168 -9.137 109 2HG LYS 14 HG1 LYS 14 -5.833 4.218 -10.586 110 1HD LYS 14 HD2 LYS 14 -8.178 4.158 -11.140 111 2HD LYS 14 HD1 LYS 14 -8.590 4.972 -9.630 112 1HE LYS 14 HE2 LYS 14 -8.638 6.552 -11.465 113 2HE LYS 14 HE1 LYS 14 -7.324 6.941 -10.361 114 1HZ LYS 14 HZ1 LYS 14 -5.801 5.781 -11.908 115 2HZ LYS 14 HZ2 LYS 14 -6.546 7.136 -12.595 116 3HZ LYS 14 HZ3 LYS 14 -7.091 5.580 -12.994 117 H PHE 15 HN PHE 15 -6.092 2.958 -5.921 118 HA PHE 15 HA PHE 15 -5.166 5.572 -5.501 119 1HB PHE 15 HB2 PHE 15 -6.864 4.282 -4.129 120 2HB PHE 15 HB1 PHE 15 -5.502 3.462 -3.375 121 HD1 PHE 15 HD1 PHE 15 -6.804 6.887 -4.032 122 HD2 PHE 15 HD2 PHE 15 -4.511 4.354 -1.496 123 HE1 PHE 15 HE1 PHE 15 -6.555 8.732 -2.421 124 HE2 PHE 15 HE2 PHE 15 -4.254 6.195 0.118 125 HZ PHE 15 HZ PHE 15 -5.278 8.387 -0.344 126 H ILE 16 HN ILE 16 -3.745 2.425 -4.577 127 HA ILE 16 HA ILE 16 -1.322 3.331 -3.555 128 HB ILE 16 HB ILE 16 -1.388 0.869 -5.276 129 1HG1 ILE 16 HG12 ILE 16 -2.504 1.093 -2.466 130 2HG1 ILE 16 HG11 ILE 16 -3.465 0.839 -3.916 131 1HG2 ILE 16 HG21 ILE 16 -0.065 1.533 -2.648 132 2HG2 ILE 16 HG22 ILE 16 0.710 1.593 -4.229 133 3HG2 ILE 16 HG23 ILE 16 0.158 0.052 -3.577 134 1HD1 ILE 16 HD11 ILE 16 -3.145 -1.228 -2.684 135 2HD1 ILE 16 HD12 ILE 16 -1.397 -1.055 -2.827 136 3HD1 ILE 16 HD13 ILE 16 -2.378 -1.312 -4.269 137 H MET 17 HN MET 17 -2.304 2.803 -6.897 138 HA MET 17 HA MET 17 0.187 3.327 -8.113 139 1HB MET 17 HB2 MET 17 -2.600 3.769 -9.197 140 2HB MET 17 HB1 MET 17 -1.127 3.793 -10.158 141 1HG MET 17 HG2 MET 17 -0.716 1.455 -9.588 142 2HG MET 17 HG1 MET 17 -2.190 1.434 -8.620 143 1HE MET 17 HE1 MET 17 -3.210 -0.772 -11.670 144 2HE MET 17 HE2 MET 17 -3.077 -0.672 -9.915 145 3HE MET 17 HE3 MET 17 -1.621 -0.707 -10.909 146 H ALA 18 HN ALA 18 -2.515 5.442 -7.254 147 HA ALA 18 HA ALA 18 -1.317 7.848 -8.179 148 1HB ALA 18 HB1 ALA 18 -3.041 8.980 -6.876 149 2HB ALA 18 HB2 ALA 18 -3.432 7.467 -6.056 150 3HB ALA 18 HB3 ALA 18 -3.727 7.634 -7.786 151 H ASP 19 HN ASP 19 -1.044 5.964 -5.301 152 HA ASP 19 HA ASP 19 -0.001 7.854 -3.505 153 1HB ASP 19 HB2 ASP 19 -0.831 5.493 -3.023 154 2HB ASP 19 HB1 ASP 19 0.719 4.916 -3.614 155 H THR 20 HN THR 20 1.610 5.645 -5.776 156 HA THR 20 HA THR 20 4.106 7.155 -5.351 157 HB THR 20 HB THR 20 5.224 5.012 -6.188 158 HG1 THR 20 HG1 THR 20 2.880 3.735 -5.238 159 1HG2 THR 20 HG21 THR 20 5.164 3.998 -3.952 160 2HG2 THR 20 HG22 THR 20 3.792 5.025 -3.536 161 3HG2 THR 20 HG23 THR 20 5.364 5.748 -3.878 162 H GLY 21 HN GLY 21 2.557 5.072 -7.774 163 1HA GLY 21 HA2 GLY 21 2.090 6.180 -9.963 164 2HA GLY 21 HA1 GLY 21 3.734 6.795 -9.862 165 H PHE 22 HN PHE 22 3.030 3.585 -8.752 166 HA PHE 22 HA PHE 22 4.433 2.535 -11.120 167 1HB PHE 22 HB2 PHE 22 4.688 1.596 -8.257 168 2HB PHE 22 HB1 PHE 22 5.482 0.865 -9.648 169 HD1 PHE 22 HD1 PHE 22 5.672 3.375 -7.123 170 HD2 PHE 22 HD2 PHE 22 7.128 2.285 -10.968 171 HE1 PHE 22 HE1 PHE 22 7.572 4.903 -6.830 172 HE2 PHE 22 HE2 PHE 22 9.033 3.815 -10.685 173 HZ PHE 22 HZ PHE 22 9.258 5.127 -8.613 174 H GLY 23 HN GLY 23 4.208 -0.002 -11.121 175 1HA GLY 23 HA2 GLY 23 1.331 -0.476 -11.271 176 2HA GLY 23 HA1 GLY 23 2.588 -1.463 -11.997 177 H LYS 24 HN LYS 24 0.560 -2.694 -10.824 178 HA LYS 24 HA LYS 24 0.454 -3.164 -8.138 179 1HB LYS 24 HB2 LYS 24 -0.531 -5.359 -8.682 180 2HB LYS 24 HB1 LYS 24 -1.187 -4.055 -9.661 181 1HG LYS 24 HG2 LYS 24 0.371 -4.729 -11.479 182 2HG LYS 24 HG1 LYS 24 0.827 -6.123 -10.499 183 1HD LYS 24 HD2 LYS 24 -1.538 -6.842 -10.485 184 2HD LYS 24 HD1 LYS 24 -1.928 -5.483 -11.543 185 1HE LYS 24 HE2 LYS 24 -0.119 -7.817 -12.156 186 2HE LYS 24 HE1 LYS 24 -1.681 -7.454 -12.889 187 1HZ LYS 24 HZ1 LYS 24 0.140 -6.808 -14.339 188 2HZ LYS 24 HZ2 LYS 24 0.776 -5.799 -13.139 189 3HZ LYS 24 HZ3 LYS 24 -0.729 -5.437 -13.838 190 H THR 25 HN THR 25 2.722 -4.731 -10.397 191 HA THR 25 HA THR 25 3.674 -6.704 -8.680 192 HB THR 25 HB THR 25 4.193 -6.703 -11.063 193 HG1 THR 25 HG1 THR 25 6.763 -6.513 -9.979 194 1HG2 THR 25 HG21 THR 25 5.911 -5.247 -12.006 195 2HG2 THR 25 HG22 THR 25 6.054 -4.401 -10.465 196 3HG2 THR 25 HG23 THR 25 4.555 -4.301 -11.391 197 H PHE 26 HN PHE 26 4.767 -3.367 -9.095 198 HA PHE 26 HA PHE 26 6.920 -3.370 -7.304 199 1HB PHE 26 HB2 PHE 26 6.808 -1.486 -8.661 200 2HB PHE 26 HB1 PHE 26 5.071 -1.308 -8.448 201 HD1 PHE 26 HD1 PHE 26 4.164 -0.123 -6.567 202 HD2 PHE 26 HD2 PHE 26 8.357 -0.593 -7.036 203 HE1 PHE 26 HE1 PHE 26 4.537 1.624 -4.878 204 HE2 PHE 26 HE2 PHE 26 8.746 1.154 -5.345 205 HZ PHE 26 HZ PHE 26 6.834 2.264 -4.260 206 H ILE 27 HN ILE 27 3.493 -2.704 -6.888 207 HA ILE 27 HA ILE 27 3.541 -1.828 -4.243 208 HB ILE 27 HB ILE 27 1.308 -3.306 -5.645 209 1HG1 ILE 27 HG12 ILE 27 1.808 -0.324 -5.468 210 2HG1 ILE 27 HG11 ILE 27 2.187 -1.311 -6.876 211 1HG2 ILE 27 HG21 ILE 27 -0.150 -2.071 -4.078 212 2HG2 ILE 27 HG22 ILE 27 1.285 -1.460 -3.256 213 3HG2 ILE 27 HG23 ILE 27 0.937 -3.189 -3.259 214 1HD1 ILE 27 HD11 ILE 27 -0.536 -0.797 -5.717 215 2HD1 ILE 27 HD12 ILE 27 -0.202 -1.903 -7.049 216 3HD1 ILE 27 HD13 ILE 27 0.116 -0.177 -7.235 217 H TYR 28 HN TYR 28 2.539 -5.049 -5.412 218 HA TYR 28 HA TYR 28 2.154 -6.086 -2.851 219 1HB TYR 28 HB2 TYR 28 2.665 -7.455 -5.494 220 2HB TYR 28 HB1 TYR 28 2.318 -8.345 -4.015 221 HD1 TYR 28 HD1 TYR 28 0.872 -5.403 -5.855 222 HD2 TYR 28 HD2 TYR 28 0.134 -9.042 -3.775 223 HE1 TYR 28 HE1 TYR 28 -1.538 -5.147 -6.270 224 HE2 TYR 28 HE2 TYR 28 -2.274 -8.798 -4.187 225 HH TYR 28 HH TYR 28 -3.541 -6.645 -6.428 226 H ASP 29 HN ASP 29 5.072 -6.091 -4.880 227 HA ASP 29 HA ASP 29 6.531 -7.817 -3.128 228 1HB ASP 29 HB2 ASP 29 7.186 -7.513 -5.485 229 2HB ASP 29 HB1 ASP 29 7.597 -5.832 -5.152 230 H ARG 30 HN ARG 30 6.600 -4.297 -3.644 231 HA ARG 30 HA ARG 30 8.599 -3.757 -1.745 232 1HB ARG 30 HB2 ARG 30 7.850 -2.257 -3.605 233 2HB ARG 30 HB1 ARG 30 6.431 -1.871 -2.638 234 1HG ARG 30 HG2 ARG 30 7.573 -0.308 -1.587 235 2HG ARG 30 HG1 ARG 30 8.719 -1.519 -1.007 236 1HD ARG 30 HD2 ARG 30 8.863 -0.193 -3.707 237 2HD ARG 30 HD1 ARG 30 9.752 0.356 -2.290 238 HE ARG 30 HE ARG 30 10.833 -1.886 -2.324 239 1HH1 ARG 30 HH11 ARG 30 9.484 -0.511 -5.242 240 2HH1 ARG 30 HH12 ARG 30 10.519 -1.417 -6.308 241 1HH2 ARG 30 HH21 ARG 30 12.211 -3.077 -3.739 242 2HH2 ARG 30 HH22 ARG 30 12.091 -2.826 -5.455 243 H ILE 31 HN ILE 31 5.051 -3.656 -1.500 244 HA ILE 31 HA ILE 31 5.020 -2.628 1.145 245 HB ILE 31 HB ILE 31 2.915 -4.039 -0.504 246 1HG1 ILE 31 HG12 ILE 31 1.730 -1.853 -0.221 247 2HG1 ILE 31 HG11 ILE 31 3.129 -1.226 0.636 248 1HG2 ILE 31 HG21 ILE 31 2.591 -3.034 2.326 249 2HG2 ILE 31 HG22 ILE 31 2.631 -4.728 1.835 250 3HG2 ILE 31 HG23 ILE 31 1.316 -3.683 1.293 251 1HD1 ILE 31 HD11 ILE 31 3.061 -0.451 -1.655 252 2HD1 ILE 31 HD12 ILE 31 3.071 -2.118 -2.235 253 3HD1 ILE 31 HD13 ILE 31 4.471 -1.475 -1.379 254 H LYS 32 HN LYS 32 4.709 -5.956 -0.128 255 HA LYS 32 HA LYS 32 4.289 -7.230 2.328 256 1HB LYS 32 HB2 LYS 32 5.144 -8.069 -0.360 257 2HB LYS 32 HB1 LYS 32 5.569 -9.154 0.957 258 1HG LYS 32 HG2 LYS 32 3.269 -9.345 1.614 259 2HG LYS 32 HG1 LYS 32 2.791 -8.138 0.417 260 1HD LYS 32 HD2 LYS 32 3.284 -9.567 -1.377 261 2HD LYS 32 HD1 LYS 32 4.210 -10.663 -0.350 262 1HE LYS 32 HE2 LYS 32 1.251 -10.196 -0.050 263 2HE LYS 32 HE1 LYS 32 1.936 -11.500 -1.023 264 1HZ LYS 32 HZ1 LYS 32 2.434 -11.109 1.886 265 2HZ LYS 32 HZ2 LYS 32 2.999 -12.390 0.929 266 3HZ LYS 32 HZ3 LYS 32 1.337 -12.225 1.227 267 H SER 33 HN SER 33 7.308 -6.512 0.635 268 HA SER 33 HA SER 33 8.959 -7.867 2.484 269 1HB SER 33 HB2 SER 33 9.599 -5.675 0.511 270 2HB SER 33 HB1 SER 33 10.761 -6.753 1.271 271 HG SER 33 HG SER 33 8.946 -7.252 -0.781 272 H GLY 34 HN GLY 34 7.487 -4.739 2.450 273 1HA GLY 34 HA2 GLY 34 9.363 -3.381 4.110 274 2HA GLY 34 HA1 GLY 34 7.703 -2.890 3.805 275 H ASP 35 HN ASP 35 6.021 -4.200 4.952 276 HA ASP 35 HA ASP 35 6.844 -5.588 7.342 277 1HB ASP 35 HB2 ASP 35 6.954 -3.131 7.966 278 2HB ASP 35 HB1 ASP 35 5.210 -3.075 7.716 279 H LEU 36 HN LEU 36 5.662 -6.902 5.656 280 HA LEU 36 HA LEU 36 3.779 -8.101 5.045 281 1HB LEU 36 HB2 LEU 36 3.639 -8.240 8.047 282 2HB LEU 36 HB1 LEU 36 3.077 -9.451 6.911 283 HG LEU 36 HG LEU 36 5.942 -8.668 7.435 284 1HD1 LEU 36 HD11 LEU 36 4.431 -11.217 7.971 285 2HD1 LEU 36 HD12 LEU 36 4.974 -10.049 9.176 286 3HD1 LEU 36 HD13 LEU 36 6.156 -10.963 8.239 287 1HD2 LEU 36 HD21 LEU 36 4.823 -10.649 5.457 288 2HD2 LEU 36 HD22 LEU 36 6.527 -10.484 5.881 289 3HD2 LEU 36 HD23 LEU 36 5.686 -9.156 5.083 290 HA PRO 37 HA PRO 37 0.615 -4.828 5.212 291 1HB PRO 37 HB2 PRO 37 -0.949 -6.090 3.289 292 2HB PRO 37 HB1 PRO 37 0.305 -4.890 2.970 293 1HG PRO 37 HG2 PRO 37 0.458 -7.870 2.842 294 2HG PRO 37 HG1 PRO 37 1.183 -6.660 1.766 295 1HD PRO 37 HD2 PRO 37 2.662 -7.916 3.583 296 2HD PRO 37 HD1 PRO 37 2.904 -6.184 3.256 297 H LYS 38 HN LYS 38 -1.197 -4.619 6.308 298 HA LYS 38 HA LYS 38 -2.486 -7.020 7.364 299 1HB LYS 38 HB2 LYS 38 -2.804 -4.113 8.144 300 2HB LYS 38 HB1 LYS 38 -3.666 -5.447 8.894 301 1HG LYS 38 HG2 LYS 38 -1.868 -4.883 10.329 302 2HG LYS 38 HG1 LYS 38 -1.435 -6.401 9.537 303 1HD LYS 38 HD2 LYS 38 -0.125 -5.103 7.887 304 2HD LYS 38 HD1 LYS 38 -0.466 -3.640 8.815 305 1HE LYS 38 HE2 LYS 38 0.692 -4.573 10.739 306 2HE LYS 38 HE1 LYS 38 0.992 -6.069 9.850 307 1HZ LYS 38 HZ1 LYS 38 2.926 -4.614 9.808 308 2HZ LYS 38 HZ2 LYS 38 2.010 -3.382 9.096 309 3HZ LYS 38 HZ3 LYS 38 2.299 -4.822 8.249 310 H ALA 39 HN ALA 39 -2.721 -5.062 4.785 311 HA ALA 39 HA ALA 39 -5.251 -4.388 4.191 312 1HB ALA 39 HB1 ALA 39 -3.350 -4.189 2.669 313 2HB ALA 39 HB2 ALA 39 -4.753 -4.903 1.874 314 3HB ALA 39 HB3 ALA 39 -3.410 -5.928 2.377 315 H LYS 40 HN LYS 40 -7.009 -5.443 3.017 316 HA LYS 40 HA LYS 40 -7.307 -8.209 3.950 317 1HB LYS 40 HB2 LYS 40 -9.348 -6.035 3.500 318 2HB LYS 40 HB1 LYS 40 -9.810 -7.730 3.596 319 1HG LYS 40 HG2 LYS 40 -10.146 -6.814 5.743 320 2HG LYS 40 HG1 LYS 40 -8.687 -7.798 5.847 321 1HD LYS 40 HD2 LYS 40 -7.358 -5.699 5.503 322 2HD LYS 40 HD1 LYS 40 -8.869 -4.797 5.647 323 1HE LYS 40 HE2 LYS 40 -7.814 -4.769 7.784 324 2HE LYS 40 HE1 LYS 40 -9.189 -5.869 7.888 325 1HZ LYS 40 HZ1 LYS 40 -6.372 -6.697 7.464 326 2HZ LYS 40 HZ2 LYS 40 -7.702 -7.734 7.652 327 3HZ LYS 40 HZ3 LYS 40 -7.195 -6.763 8.943 328 H VAL 41 HN VAL 41 -6.205 -8.988 2.178 329 HA VAL 41 HA VAL 41 -7.644 -8.812 -0.386 330 HB VAL 41 HB VAL 41 -4.698 -9.396 0.025 331 1HG1 VAL 41 HG11 VAL 41 -6.268 -8.833 -2.482 332 2HG1 VAL 41 HG12 VAL 41 -5.623 -10.398 -1.987 333 3HG1 VAL 41 HG13 VAL 41 -4.523 -9.078 -2.387 334 1HG2 VAL 41 HG21 VAL 41 -4.277 -7.159 -0.871 335 2HG2 VAL 41 HG22 VAL 41 -5.189 -7.090 0.638 336 3HG2 VAL 41 HG23 VAL 41 -6.014 -6.845 -0.903 337 H ILE 42 HN ILE 42 -8.990 -10.598 0.177 338 HA ILE 42 HA ILE 42 -7.601 -13.079 0.885 339 HB ILE 42 HB ILE 42 -9.351 -12.269 2.438 340 1HG1 ILE 42 HG12 ILE 42 -10.578 -14.411 2.647 341 2HG1 ILE 42 HG11 ILE 42 -10.004 -14.877 1.047 342 1HG2 ILE 42 HG21 ILE 42 -11.701 -12.385 1.819 343 2HG2 ILE 42 HG22 ILE 42 -11.252 -12.815 0.169 344 3HG2 ILE 42 HG23 ILE 42 -10.830 -11.227 0.811 345 1HD1 ILE 42 HD11 ILE 42 -7.701 -14.796 1.861 346 2HD1 ILE 42 HD12 ILE 42 -8.689 -15.937 2.774 347 3HD1 ILE 42 HD13 ILE 42 -8.291 -14.363 3.464 348 H HIS 43 HN HIS 43 -9.088 -11.563 -1.730 349 HA HIS 43 HA HIS 43 -9.691 -14.142 -3.000 350 1HB HIS 43 HB2 HIS 43 -10.540 -11.366 -3.854 351 2HB HIS 43 HB1 HIS 43 -10.944 -12.856 -4.695 352 HD1 HIS 43 HD1 HIS 43 -12.935 -10.729 -3.350 353 HD2 HIS 43 HD2 HIS 43 -11.888 -14.475 -1.877 354 HE1 HIS 43 HE1 HIS 43 -14.814 -11.405 -1.819 355 HE2 HIS 43 HE2 HIS 43 -14.208 -13.712 -1.011 356 H GLY 44 HN GLY 44 -7.039 -12.702 -2.627 357 1HA GLY 44 HA2 GLY 44 -5.098 -12.656 -3.921 358 2HA GLY 44 HA1 GLY 44 -6.073 -12.962 -5.354 359 H ARG 45 HN ARG 45 -7.939 -10.821 -4.765 360 HA ARG 45 HA ARG 45 -6.343 -8.383 -4.650 361 1HB ARG 45 HB2 ARG 45 -8.163 -9.178 -6.924 362 2HB ARG 45 HB1 ARG 45 -7.845 -7.489 -6.557 363 1HG ARG 45 HG2 ARG 45 -5.467 -7.840 -6.931 364 2HG ARG 45 HG1 ARG 45 -5.763 -9.550 -7.251 365 1HD ARG 45 HD2 ARG 45 -7.068 -7.355 -8.835 366 2HD ARG 45 HD1 ARG 45 -5.502 -8.036 -9.271 367 HE ARG 45 HE ARG 45 -6.870 -10.250 -9.211 368 1HH1 ARG 45 HH11 ARG 45 -8.095 -7.150 -10.275 369 2HH1 ARG 45 HH12 ARG 45 -9.064 -7.830 -11.546 370 1HH2 ARG 45 HH21 ARG 45 -8.150 -11.150 -10.866 371 2HH2 ARG 45 HH22 ARG 45 -9.095 -10.102 -11.889 372 H ALA 46 HN ALA 46 -7.450 -6.698 -3.657 373 HA ALA 46 HA ALA 46 -10.271 -6.562 -3.510 374 1HB ALA 46 HB1 ALA 46 -9.960 -8.396 -1.906 375 2HB ALA 46 HB2 ALA 46 -10.632 -6.953 -1.147 376 3HB ALA 46 HB3 ALA 46 -8.927 -7.353 -0.929 377 H ARG 47 HN ARG 47 -8.628 -5.633 -0.592 378 HA ARG 47 HA ARG 47 -8.063 -2.970 -1.648 379 1HB ARG 47 HB2 ARG 47 -10.204 -3.605 0.297 380 2HB ARG 47 HB1 ARG 47 -9.183 -2.227 0.691 381 1HG ARG 47 HG2 ARG 47 -9.687 -1.261 -1.523 382 2HG ARG 47 HG1 ARG 47 -10.782 -2.614 -1.830 383 1HD ARG 47 HD2 ARG 47 -12.219 -1.958 -0.061 384 2HD ARG 47 HD1 ARG 47 -11.049 -0.784 0.539 385 HE ARG 47 HE ARG 47 -11.465 0.292 -1.790 386 1HH1 ARG 47 HH11 ARG 47 -13.854 -1.352 0.183 387 2HH1 ARG 47 HH12 ARG 47 -15.169 -0.333 -0.329 388 1HH2 ARG 47 HH21 ARG 47 -13.180 1.608 -2.488 389 2HH2 ARG 47 HH22 ARG 47 -14.786 1.340 -1.883 390 H TRP 48 HN TRP 48 -6.700 -1.733 -0.312 391 HA TRP 48 HA TRP 48 -4.963 -3.468 1.309 392 1HB TRP 48 HB2 TRP 48 -4.336 -2.195 -0.996 393 2HB TRP 48 HB1 TRP 48 -3.913 -0.944 0.168 394 HD1 TRP 48 HD1 TRP 48 -2.067 -1.712 2.089 395 HE1 TRP 48 HE1 TRP 48 -0.065 -3.308 1.858 396 HE3 TRP 48 HE3 TRP 48 -3.478 -4.157 -2.166 397 HZ2 TRP 48 HZ2 TRP 48 0.806 -5.333 0.091 398 HZ3 TRP 48 HZ3 TRP 48 -2.003 -5.906 -3.065 399 HH2 TRP 48 HH2 TRP 48 0.095 -6.481 -1.959 400 H LEU 49 HN LEU 49 -4.017 -2.554 3.225 401 HA LEU 49 HA LEU 49 -5.588 -0.406 4.361 402 1HB LEU 49 HB2 LEU 49 -3.842 -2.523 5.403 403 2HB LEU 49 HB1 LEU 49 -3.737 -0.995 6.259 404 HG LEU 49 HG LEU 49 -6.190 -1.040 6.573 405 1HD1 LEU 49 HD11 LEU 49 -7.415 -3.101 6.161 406 2HD1 LEU 49 HD12 LEU 49 -5.983 -3.803 5.407 407 3HD1 LEU 49 HD13 LEU 49 -6.780 -2.418 4.665 408 1HD2 LEU 49 HD21 LEU 49 -4.725 -1.837 8.327 409 2HD2 LEU 49 HD22 LEU 49 -4.708 -3.447 7.608 410 3HD2 LEU 49 HD23 LEU 49 -6.203 -2.795 8.278 411 H TYR 50 HN TYR 50 -4.751 1.512 5.122 412 HA TYR 50 HA TYR 50 -2.794 2.637 3.398 413 1HB TYR 50 HB2 TYR 50 -4.794 3.836 4.425 414 2HB TYR 50 HB1 TYR 50 -3.855 3.922 5.914 415 HD1 TYR 50 HD1 TYR 50 -3.976 4.994 2.387 416 HD2 TYR 50 HD2 TYR 50 -2.118 5.529 6.174 417 HE1 TYR 50 HE1 TYR 50 -2.854 7.014 1.544 418 HE2 TYR 50 HE2 TYR 50 -1.000 7.556 5.349 419 HH TYR 50 HH TYR 50 -0.345 8.590 3.307 420 H ARG 51 HN ARG 51 -2.802 1.612 6.760 421 HA ARG 51 HA ARG 51 -0.374 2.509 7.653 422 1HB ARG 51 HB2 ARG 51 -0.384 0.739 9.253 423 2HB ARG 51 HB1 ARG 51 -2.048 1.248 8.996 424 1HG ARG 51 HG2 ARG 51 -2.488 -0.666 7.632 425 2HG ARG 51 HG1 ARG 51 -0.783 -1.128 7.660 426 1HD ARG 51 HD2 ARG 51 -1.860 -2.517 9.224 427 2HD ARG 51 HD1 ARG 51 -1.011 -1.301 10.170 428 HE ARG 51 HE ARG 51 -3.772 -0.679 9.594 429 1HH1 ARG 51 HH11 ARG 51 -1.498 -2.060 11.858 430 2HH1 ARG 51 HH12 ARG 51 -2.626 -2.077 13.183 431 1HH2 ARG 51 HH21 ARG 51 -5.282 -0.711 11.317 432 2HH2 ARG 51 HH22 ARG 51 -4.779 -1.317 12.874 433 H ASP 52 HN ASP 52 -0.972 -0.311 5.589 434 HA ASP 52 HA ASP 52 1.660 -1.327 5.675 435 1HB ASP 52 HB2 ASP 52 -0.225 -1.608 3.334 436 2HB ASP 52 HB1 ASP 52 1.043 -2.717 3.849 437 H HIS 53 HN HIS 53 0.128 1.192 3.852 438 HA HIS 53 HA HIS 53 2.167 1.445 1.870 439 1HB HIS 53 HB2 HIS 53 0.050 3.398 2.818 440 2HB HIS 53 HB1 HIS 53 1.168 3.742 1.505 441 HD1 HIS 53 HD1 HIS 53 -0.767 3.944 -0.198 442 HD2 HIS 53 HD2 HIS 53 -0.452 0.210 1.632 443 HE1 HIS 53 HE1 HIS 53 -2.371 2.414 -1.446 444 HE2 HIS 53 HE2 HIS 53 -2.132 0.171 -0.323 445 H CYS 54 HN CYS 54 1.541 2.821 5.038 446 HA CYS 54 HA CYS 54 3.474 4.822 5.066 447 1HB CYS 54 HB2 CYS 54 2.605 3.069 7.377 448 2HB CYS 54 HB1 CYS 54 3.385 4.643 7.504 449 HG CYS 54 HG CYS 54 0.937 5.391 5.695 450 H GLU 55 HN GLU 55 3.734 1.370 5.823 451 HA GLU 55 HA GLU 55 6.434 1.435 6.640 452 1HB GLU 55 HB2 GLU 55 4.899 -0.877 5.449 453 2HB GLU 55 HB1 GLU 55 6.376 -0.985 6.399 454 1HG GLU 55 HG2 GLU 55 3.649 -0.138 7.334 455 2HG GLU 55 HG1 GLU 55 4.556 -1.577 7.790 456 H PHE 56 HN PHE 56 4.910 0.629 3.528 457 HA PHE 56 HA PHE 56 7.364 0.021 2.278 458 1HB PHE 56 HB2 PHE 56 6.116 -0.629 0.519 459 2HB PHE 56 HB1 PHE 56 4.773 -0.412 1.628 460 HD1 PHE 56 HD1 PHE 56 6.682 1.327 -1.049 461 HD2 PHE 56 HD2 PHE 56 3.035 0.989 1.104 462 HE1 PHE 56 HE1 PHE 56 5.595 2.829 -2.657 463 HE2 PHE 56 HE2 PHE 56 1.944 2.503 -0.497 464 HZ PHE 56 HZ PHE 56 3.227 3.427 -2.377 465 H LYS 57 HN LYS 57 5.398 2.969 2.285 466 HA LYS 57 HA LYS 57 7.047 4.569 0.695 467 1HB LYS 57 HB2 LYS 57 5.346 5.306 3.080 468 2HB LYS 57 HB1 LYS 57 6.113 6.487 2.026 469 1HG LYS 57 HG2 LYS 57 4.152 4.403 1.120 470 2HG LYS 57 HG1 LYS 57 3.740 6.077 1.497 471 1HD LYS 57 HD2 LYS 57 5.879 5.417 -0.491 472 2HD LYS 57 HD1 LYS 57 4.176 5.429 -0.962 473 1HE LYS 57 HE2 LYS 57 5.660 7.733 0.301 474 2HE LYS 57 HE1 LYS 57 5.303 7.571 -1.420 475 1HZ LYS 57 HZ1 LYS 57 3.695 8.992 -0.333 476 2HZ LYS 57 HZ2 LYS 57 3.289 7.762 0.758 477 3HZ LYS 57 HZ3 LYS 57 2.934 7.577 -0.890 478 H ASN 58 HN ASN 58 7.194 3.728 4.063 479 HA ASN 58 HA ASN 58 9.206 5.400 4.962 480 1HB ASN 58 HB2 ASN 58 8.053 4.233 6.598 481 2HB ASN 58 HB1 ASN 58 8.148 2.710 5.722 482 1HD2 ASN 58 HD21 ASN 58 9.686 1.307 6.218 483 2HD2 ASN 58 HD22 ASN 58 10.959 1.589 7.356 484 H LYS 59 HN LYS 59 9.454 2.222 3.420 485 HA LYS 59 HA LYS 59 12.252 1.910 3.550 486 1HB LYS 59 HB2 LYS 59 10.391 0.997 1.350 487 2HB LYS 59 HB1 LYS 59 11.982 0.342 1.704 488 1HG LYS 59 HG2 LYS 59 11.244 -0.874 3.463 489 2HG LYS 59 HG1 LYS 59 9.966 0.278 3.868 490 1HD LYS 59 HD2 LYS 59 9.109 -1.873 2.963 491 2HD LYS 59 HD1 LYS 59 8.636 -0.456 2.022 492 1HE LYS 59 HE2 LYS 59 9.322 -2.356 0.609 493 2HE LYS 59 HE1 LYS 59 10.323 -0.923 0.368 494 1HZ LYS 59 HZ1 LYS 59 11.463 -3.206 0.599 495 2HZ LYS 59 HZ2 LYS 59 11.157 -3.043 2.261 496 3HZ LYS 59 HZ3 LYS 59 12.113 -1.899 1.455 497 H LEU 60 HN LEU 60 10.160 3.240 1.063 498 HA LEU 60 HA LEU 60 12.280 3.851 -0.744 499 1HB LEU 60 HB2 LEU 60 9.367 4.583 -0.658 500 2HB LEU 60 HB1 LEU 60 10.433 5.003 -1.988 501 HG LEU 60 HG LEU 60 10.239 2.136 -1.149 502 1HD1 LEU 60 HD11 LEU 60 8.332 1.749 -2.477 503 2HD1 LEU 60 HD12 LEU 60 8.318 3.409 -3.081 504 3HD1 LEU 60 HD13 LEU 60 7.914 3.078 -1.395 505 1HD2 LEU 60 HD21 LEU 60 10.642 3.542 -3.784 506 2HD2 LEU 60 HD22 LEU 60 10.691 1.798 -3.520 507 3HD2 LEU 60 HD23 LEU 60 11.907 2.837 -2.777 508 H LEU 61 HN LEU 61 10.842 5.486 1.877 509 HA LEU 61 HA LEU 61 11.615 8.140 1.092 510 1HB LEU 61 HB2 LEU 61 9.707 7.695 2.589 511 2HB LEU 61 HB1 LEU 61 10.806 7.040 3.785 512 HG LEU 61 HG LEU 61 11.873 9.279 3.970 513 1HD1 LEU 61 HD11 LEU 61 11.295 10.143 1.763 514 2HD1 LEU 61 HD12 LEU 61 10.710 11.216 3.035 515 3HD1 LEU 61 HD13 LEU 61 9.586 10.143 2.204 516 1HD2 LEU 61 HD21 LEU 61 8.906 9.151 4.480 517 2HD2 LEU 61 HD22 LEU 61 10.010 10.321 5.198 518 3HD2 LEU 61 HD23 LEU 61 10.184 8.606 5.566 519 H SER 62 HN SER 62 12.947 5.562 3.064 520 HA SER 62 HA SER 62 15.089 7.229 4.057 521 1HB SER 62 HB2 SER 62 15.791 5.003 5.124 522 2HB SER 62 HB1 SER 62 14.249 5.692 5.639 523 HG SER 62 HG SER 62 13.217 4.082 4.748 524 H ARG 63 HN ARG 63 14.826 4.322 1.989 525 HA ARG 63 HA ARG 63 17.652 4.706 1.284 526 1HB ARG 63 HB2 ARG 63 15.931 2.234 1.114 527 2HB ARG 63 HB1 ARG 63 17.622 2.329 0.657 528 1HG ARG 63 HG2 ARG 63 18.187 2.941 2.976 529 2HG ARG 63 HG1 ARG 63 16.491 2.726 3.412 530 1HD ARG 63 HD2 ARG 63 16.629 0.388 2.641 531 2HD ARG 63 HD1 ARG 63 18.345 0.623 2.311 532 HE ARG 63 HE ARG 63 17.650 1.291 5.003 533 1HH1 ARG 63 HH11 ARG 63 18.526 -1.317 2.833 534 2HH1 ARG 63 HH12 ARG 63 18.982 -2.401 4.116 535 1HH2 ARG 63 HH21 ARG 63 18.307 -0.106 6.694 536 2HH2 ARG 63 HH22 ARG 63 18.915 -1.696 6.306 537 H ALA 64 HN ALA 64 14.601 5.188 0.003 538 HA ALA 64 HA ALA 64 13.786 5.564 -2.096 539 1HB ALA 64 HB1 ALA 64 16.624 6.452 -2.586 540 2HB ALA 64 HB2 ALA 64 15.365 7.420 -1.820 541 3HB ALA 64 HB3 ALA 64 15.201 6.934 -3.509 542 H ASN 65 HN ASN 65 13.530 3.240 -2.406 543 HA ASN 65 HA ASN 65 15.487 1.909 -4.111 544 1HB ASN 65 HB2 ASN 65 12.909 0.846 -2.925 545 2HB ASN 65 HB1 ASN 65 14.143 -0.107 -3.740 546 1HD2 ASN 65 HD21 ASN 65 13.252 1.535 -0.823 547 2HD2 ASN 65 HD22 ASN 65 14.547 0.941 0.150 548 H GLY 66 HN GLY 66 13.862 0.242 -5.604 549 1HA GLY 66 HA2 GLY 66 11.805 0.419 -6.956 550 2HA GLY 66 HA1 GLY 66 12.202 2.118 -7.171 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -5.918 11.866 -6.011 2 2H MET 1 HT2 MET 1 -6.537 11.340 -4.526 3 3H MET 1 HT3 MET 1 -5.687 12.804 -4.616 4 HA MET 1 HA MET 1 -7.409 13.717 -6.053 5 1HB MET 1 HB2 MET 1 -8.141 11.472 -6.904 6 2HB MET 1 HB1 MET 1 -8.911 11.181 -5.352 7 1HG MET 1 HG2 MET 1 -10.430 11.926 -7.196 8 2HG MET 1 HG1 MET 1 -10.505 12.884 -5.719 9 1HE MET 1 HE1 MET 1 -9.145 12.713 -9.407 10 2HE MET 1 HE2 MET 1 -7.680 12.980 -8.461 11 3HE MET 1 HE3 MET 1 -8.280 14.245 -9.531 12 H GLN 2 HN GLN 2 -9.655 14.399 -5.055 13 HA GLN 2 HA GLN 2 -8.925 15.391 -2.472 14 1HB GLN 2 HB2 GLN 2 -11.073 16.673 -2.665 15 2HB GLN 2 HB1 GLN 2 -9.929 16.931 -3.973 16 1HG GLN 2 HG2 GLN 2 -11.209 15.354 -5.368 17 2HG GLN 2 HG1 GLN 2 -12.379 15.183 -4.062 18 1HE2 GLN 2 HE21 GLN 2 -10.819 18.211 -4.865 19 2HE2 GLN 2 HE22 GLN 2 -12.235 18.995 -5.469 20 H HIS 3 HN HIS 3 -9.130 12.783 -2.041 21 HA HIS 3 HA HIS 3 -11.217 12.768 -0.015 22 1HB HIS 3 HB2 HIS 3 -11.073 10.860 -2.268 23 2HB HIS 3 HB1 HIS 3 -11.235 10.125 -0.678 24 HD1 HIS 3 HD1 HIS 3 -13.424 10.650 0.661 25 HD2 HIS 3 HD2 HIS 3 -13.345 12.153 -3.220 26 HE1 HIS 3 HE1 HIS 3 -15.796 11.303 0.133 27 HE2 HIS 3 HE2 HIS 3 -15.742 12.148 -2.243 28 H GLU 4 HN GLU 4 -10.507 11.857 1.885 29 HA GLU 4 HA GLU 4 -7.615 11.297 1.848 30 1HB GLU 4 HB2 GLU 4 -9.207 12.671 4.018 31 2HB GLU 4 HB1 GLU 4 -7.459 12.483 3.953 32 1HG GLU 4 HG2 GLU 4 -7.300 13.945 2.072 33 2HG GLU 4 HG1 GLU 4 -9.054 14.002 1.906 34 H LEU 5 HN LEU 5 -6.764 9.979 3.536 35 HA LEU 5 HA LEU 5 -8.681 8.431 5.087 36 1HB LEU 5 HB2 LEU 5 -7.228 6.351 4.539 37 2HB LEU 5 HB1 LEU 5 -8.498 6.845 3.445 38 HG LEU 5 HG LEU 5 -6.865 7.796 1.910 39 1HD1 LEU 5 HD11 LEU 5 -4.459 7.510 2.271 40 2HD1 LEU 5 HD12 LEU 5 -4.781 6.897 3.896 41 3HD1 LEU 5 HD13 LEU 5 -5.185 8.564 3.487 42 1HD2 LEU 5 HD21 LEU 5 -7.430 5.450 1.661 43 2HD2 LEU 5 HD22 LEU 5 -6.166 4.997 2.805 44 3HD2 LEU 5 HD23 LEU 5 -5.734 5.711 1.252 45 H GLN 6 HN GLN 6 -7.624 7.127 6.770 46 HA GLN 6 HA GLN 6 -5.288 8.559 7.842 47 1HB GLN 6 HB2 GLN 6 -6.061 7.901 10.039 48 2HB GLN 6 HB1 GLN 6 -7.363 8.704 9.174 49 1HG GLN 6 HG2 GLN 6 -8.328 6.522 8.636 50 2HG GLN 6 HG1 GLN 6 -7.042 5.743 9.559 51 1HE2 GLN 6 HE21 GLN 6 -6.923 6.119 11.786 52 2HE2 GLN 6 HE22 GLN 6 -8.345 6.544 12.688 53 HA PRO 7 HA PRO 7 -2.453 5.135 7.932 54 1HB PRO 7 HB2 PRO 7 -3.116 4.862 10.846 55 2HB PRO 7 HB1 PRO 7 -1.543 4.776 10.042 56 1HG PRO 7 HG2 PRO 7 -2.308 7.006 11.276 57 2HG PRO 7 HG1 PRO 7 -1.418 7.072 9.745 58 1HD PRO 7 HD2 PRO 7 -4.267 7.662 10.294 59 2HD PRO 7 HD1 PRO 7 -3.220 8.257 8.991 60 H ASP 8 HN ASP 8 -5.296 4.485 10.028 61 HA ASP 8 HA ASP 8 -5.423 1.816 8.800 62 1HB ASP 8 HB2 ASP 8 -5.508 2.048 11.317 63 2HB ASP 8 HB1 ASP 8 -7.062 2.857 11.121 64 H SER 9 HN SER 9 -6.402 2.075 6.890 65 HA SER 9 HA SER 9 -9.173 2.714 6.755 66 1HB SER 9 HB2 SER 9 -7.092 4.536 5.547 67 2HB SER 9 HB1 SER 9 -8.738 4.454 4.948 68 HG SER 9 HG SER 9 -8.527 4.761 7.672 69 H LEU 10 HN LEU 10 -9.739 2.710 4.245 70 HA LEU 10 HA LEU 10 -8.346 0.364 3.184 71 1HB LEU 10 HB2 LEU 10 -10.393 -0.042 1.849 72 2HB LEU 10 HB1 LEU 10 -10.654 -0.114 3.578 73 HG LEU 10 HG LEU 10 -11.260 2.446 2.152 74 1HD1 LEU 10 HD11 LEU 10 -12.284 0.697 0.765 75 2HD1 LEU 10 HD12 LEU 10 -13.499 1.647 1.620 76 3HD1 LEU 10 HD13 LEU 10 -13.076 0.034 2.194 77 1HD2 LEU 10 HD21 LEU 10 -11.421 2.320 4.599 78 2HD2 LEU 10 HD22 LEU 10 -12.557 0.981 4.452 79 3HD2 LEU 10 HD23 LEU 10 -13.000 2.581 3.860 80 H VAL 11 HN VAL 11 -6.949 0.771 1.701 81 HA VAL 11 HA VAL 11 -7.371 2.937 -0.249 82 HB VAL 11 HB VAL 11 -4.844 1.546 -0.516 83 1HG1 VAL 11 HG11 VAL 11 -5.496 4.380 0.263 84 2HG1 VAL 11 HG12 VAL 11 -5.307 3.771 -1.379 85 3HG1 VAL 11 HG13 VAL 11 -3.927 3.788 -0.283 86 1HG2 VAL 11 HG21 VAL 11 -5.414 2.708 2.207 87 2HG2 VAL 11 HG22 VAL 11 -3.823 2.244 1.605 88 3HG2 VAL 11 HG23 VAL 11 -5.070 1.018 1.834 89 H ASP 12 HN ASP 12 -7.309 2.453 -2.484 90 HA ASP 12 HA ASP 12 -7.660 -0.408 -3.061 91 1HB ASP 12 HB2 ASP 12 -9.434 0.030 -4.425 92 2HB ASP 12 HB1 ASP 12 -9.563 1.471 -3.422 93 H LEU 13 HN LEU 13 -7.212 -0.937 -5.426 94 HA LEU 13 HA LEU 13 -4.504 -0.750 -5.851 95 1HB LEU 13 HB2 LEU 13 -6.700 -1.245 -7.837 96 2HB LEU 13 HB1 LEU 13 -4.999 -1.501 -8.175 97 HG LEU 13 HG LEU 13 -6.676 -2.975 -6.145 98 1HD1 LEU 13 HD11 LEU 13 -7.046 -3.659 -8.447 99 2HD1 LEU 13 HD12 LEU 13 -6.188 -4.910 -7.547 100 3HD1 LEU 13 HD13 LEU 13 -5.310 -3.874 -8.673 101 1HD2 LEU 13 HD21 LEU 13 -3.738 -3.267 -6.767 102 2HD2 LEU 13 HD22 LEU 13 -4.679 -4.301 -5.691 103 3HD2 LEU 13 HD23 LEU 13 -4.419 -2.606 -5.281 104 H LYS 14 HN LYS 14 -7.041 1.238 -7.397 105 HA LYS 14 HA LYS 14 -5.338 2.592 -9.196 106 1HB LYS 14 HB2 LYS 14 -7.697 3.935 -7.899 107 2HB LYS 14 HB1 LYS 14 -7.095 4.124 -9.538 108 1HG LYS 14 HG2 LYS 14 -7.942 1.949 -10.140 109 2HG LYS 14 HG1 LYS 14 -8.447 1.657 -8.472 110 1HD LYS 14 HD2 LYS 14 -9.760 3.906 -8.813 111 2HD LYS 14 HD1 LYS 14 -9.613 3.484 -10.522 112 1HE LYS 14 HE2 LYS 14 -11.689 2.620 -9.731 113 2HE LYS 14 HE1 LYS 14 -10.599 1.257 -9.975 114 1HZ LYS 14 HZ1 LYS 14 -10.107 1.349 -7.560 115 2HZ LYS 14 HZ2 LYS 14 -11.726 0.971 -7.909 116 3HZ LYS 14 HZ3 LYS 14 -11.312 2.533 -7.390 117 H PHE 15 HN PHE 15 -6.422 3.283 -5.947 118 HA PHE 15 HA PHE 15 -5.208 5.743 -5.511 119 1HB PHE 15 HB2 PHE 15 -6.839 4.224 -4.084 120 2HB PHE 15 HB1 PHE 15 -5.335 3.696 -3.345 121 HD1 PHE 15 HD1 PHE 15 -7.960 5.832 -2.888 122 HD2 PHE 15 HD2 PHE 15 -3.706 5.838 -2.864 123 HE1 PHE 15 HE1 PHE 15 -7.974 7.822 -1.428 124 HE2 PHE 15 HE2 PHE 15 -3.708 7.819 -1.399 125 HZ PHE 15 HZ PHE 15 -5.890 8.765 -0.618 126 H ILE 16 HN ILE 16 -4.010 2.476 -4.646 127 HA ILE 16 HA ILE 16 -1.539 3.237 -3.651 128 HB ILE 16 HB ILE 16 -1.564 0.743 -5.261 129 1HG1 ILE 16 HG12 ILE 16 -3.198 1.143 -2.743 130 2HG1 ILE 16 HG11 ILE 16 -3.800 0.674 -4.323 131 1HG2 ILE 16 HG21 ILE 16 -0.595 1.546 -2.521 132 2HG2 ILE 16 HG22 ILE 16 0.383 1.324 -3.972 133 3HG2 ILE 16 HG23 ILE 16 -0.401 -0.062 -3.216 134 1HD1 ILE 16 HD11 ILE 16 -2.507 -1.425 -4.153 135 2HD1 ILE 16 HD12 ILE 16 -3.733 -1.249 -2.897 136 3HD1 ILE 16 HD13 ILE 16 -2.035 -0.962 -2.517 137 H MET 17 HN MET 17 -2.474 2.660 -7.017 138 HA MET 17 HA MET 17 0.113 2.724 -8.104 139 1HB MET 17 HB2 MET 17 -2.539 3.481 -9.326 140 2HB MET 17 HB1 MET 17 -1.035 3.424 -10.237 141 1HG MET 17 HG2 MET 17 -0.812 1.030 -9.527 142 2HG MET 17 HG1 MET 17 -2.445 1.147 -8.874 143 1HE MET 17 HE1 MET 17 -4.558 1.850 -12.096 144 2HE MET 17 HE2 MET 17 -3.896 3.015 -10.947 145 3HE MET 17 HE3 MET 17 -4.620 1.515 -10.366 146 H ALA 18 HN ALA 18 -2.100 5.314 -7.266 147 HA ALA 18 HA ALA 18 -0.458 7.429 -8.269 148 1HB ALA 18 HB1 ALA 18 -2.852 7.737 -7.873 149 2HB ALA 18 HB2 ALA 18 -1.900 8.893 -6.941 150 3HB ALA 18 HB3 ALA 18 -2.604 7.482 -6.144 151 H ASP 19 HN ASP 19 -0.936 5.911 -5.134 152 HA ASP 19 HA ASP 19 0.770 7.582 -3.617 153 1HB ASP 19 HB2 ASP 19 -1.023 6.215 -2.647 154 2HB ASP 19 HB1 ASP 19 -0.169 4.750 -3.107 155 H THR 20 HN THR 20 1.384 4.836 -5.638 156 HA THR 20 HA THR 20 4.115 4.549 -4.613 157 HB THR 20 HB THR 20 4.221 2.576 -6.163 158 HG1 THR 20 HG1 THR 20 1.405 2.830 -6.393 159 1HG2 THR 20 HG21 THR 20 3.724 2.095 -3.891 160 2HG2 THR 20 HG22 THR 20 2.580 1.168 -4.861 161 3HG2 THR 20 HG23 THR 20 2.061 2.653 -4.064 162 H GLY 21 HN GLY 21 2.377 5.002 -7.670 163 1HA GLY 21 HA2 GLY 21 3.029 6.402 -9.446 164 2HA GLY 21 HA1 GLY 21 4.641 6.497 -8.746 165 H PHE 22 HN PHE 22 3.407 3.349 -8.781 166 HA PHE 22 HA PHE 22 4.892 2.719 -11.237 167 1HB PHE 22 HB2 PHE 22 5.261 1.373 -8.559 168 2HB PHE 22 HB1 PHE 22 5.952 0.797 -10.075 169 HD1 PHE 22 HD1 PHE 22 6.202 3.220 -7.393 170 HD2 PHE 22 HD2 PHE 22 7.703 2.080 -11.206 171 HE1 PHE 22 HE1 PHE 22 8.150 4.676 -7.054 172 HE2 PHE 22 HE2 PHE 22 9.659 3.537 -10.874 173 HZ PHE 22 HZ PHE 22 9.885 4.836 -8.793 174 H GLY 23 HN GLY 23 4.758 0.073 -11.360 175 1HA GLY 23 HA2 GLY 23 1.944 -0.357 -11.896 176 2HA GLY 23 HA1 GLY 23 3.269 -1.421 -12.335 177 H LYS 24 HN LYS 24 0.938 -2.420 -11.402 178 HA LYS 24 HA LYS 24 0.471 -2.798 -8.743 179 1HB LYS 24 HB2 LYS 24 -0.587 -4.942 -9.386 180 2HB LYS 24 HB1 LYS 24 -1.042 -3.602 -10.429 181 1HG LYS 24 HG2 LYS 24 0.869 -4.459 -11.954 182 2HG LYS 24 HG1 LYS 24 0.711 -5.948 -11.023 183 1HD LYS 24 HD2 LYS 24 -1.613 -6.139 -11.650 184 2HD LYS 24 HD1 LYS 24 -1.545 -4.584 -12.485 185 1HE LYS 24 HE2 LYS 24 0.255 -5.578 -13.941 186 2HE LYS 24 HE1 LYS 24 -0.131 -7.140 -13.219 187 1HZ LYS 24 HZ1 LYS 24 -1.997 -5.406 -14.744 188 2HZ LYS 24 HZ2 LYS 24 -2.411 -6.882 -14.021 189 3HZ LYS 24 HZ3 LYS 24 -1.298 -6.849 -15.300 190 H THR 25 HN THR 25 2.816 -4.601 -10.721 191 HA THR 25 HA THR 25 3.366 -6.616 -8.864 192 HB THR 25 HB THR 25 4.061 -6.735 -11.230 193 HG1 THR 25 HG1 THR 25 5.237 -7.754 -9.248 194 1HG2 THR 25 HG21 THR 25 4.853 -4.441 -11.535 195 2HG2 THR 25 HG22 THR 25 6.108 -5.603 -11.974 196 3HG2 THR 25 HG23 THR 25 6.194 -4.748 -10.432 197 H PHE 26 HN PHE 26 4.851 -3.430 -9.283 198 HA PHE 26 HA PHE 26 6.924 -3.718 -7.422 199 1HB PHE 26 HB2 PHE 26 7.172 -1.872 -8.806 200 2HB PHE 26 HB1 PHE 26 5.482 -1.406 -8.664 201 HD1 PHE 26 HD1 PHE 26 4.736 0.021 -6.882 202 HD2 PHE 26 HD2 PHE 26 8.767 -1.310 -7.083 203 HE1 PHE 26 HE1 PHE 26 5.373 1.702 -5.184 204 HE2 PHE 26 HE2 PHE 26 9.413 0.359 -5.398 205 HZ PHE 26 HZ PHE 26 7.617 1.884 -4.431 206 H ILE 27 HN ILE 27 3.593 -2.649 -7.121 207 HA ILE 27 HA ILE 27 3.676 -1.667 -4.513 208 HB ILE 27 HB ILE 27 1.355 -3.016 -5.891 209 1HG1 ILE 27 HG12 ILE 27 2.071 -0.079 -5.800 210 2HG1 ILE 27 HG11 ILE 27 2.430 -1.136 -7.162 211 1HG2 ILE 27 HG21 ILE 27 1.420 -1.046 -3.599 212 2HG2 ILE 27 HG22 ILE 27 1.012 -2.759 -3.491 213 3HG2 ILE 27 HG23 ILE 27 -0.033 -1.662 -4.393 214 1HD1 ILE 27 HD11 ILE 27 -0.292 -0.408 -6.117 215 2HD1 ILE 27 HD12 ILE 27 0.019 -1.566 -7.412 216 3HD1 ILE 27 HD13 ILE 27 0.456 0.133 -7.621 217 H TYR 28 HN TYR 28 2.481 -4.850 -5.590 218 HA TYR 28 HA TYR 28 1.960 -5.835 -3.035 219 1HB TYR 28 HB2 TYR 28 2.567 -7.227 -5.643 220 2HB TYR 28 HB1 TYR 28 2.169 -8.119 -4.179 221 HD1 TYR 28 HD1 TYR 28 0.767 -5.138 -6.017 222 HD2 TYR 28 HD2 TYR 28 0.012 -8.853 -4.073 223 HE1 TYR 28 HE1 TYR 28 -1.629 -4.910 -6.513 224 HE2 TYR 28 HE2 TYR 28 -2.384 -8.629 -4.562 225 HH TYR 28 HH TYR 28 -4.002 -6.887 -5.069 226 H ASP 29 HN ASP 29 4.905 -6.102 -5.003 227 HA ASP 29 HA ASP 29 6.319 -7.721 -3.153 228 1HB ASP 29 HB2 ASP 29 7.083 -7.564 -5.442 229 2HB ASP 29 HB1 ASP 29 7.318 -5.826 -5.287 230 H ARG 30 HN ARG 30 6.328 -4.228 -3.742 231 HA ARG 30 HA ARG 30 8.327 -3.604 -1.856 232 1HB ARG 30 HB2 ARG 30 7.642 -2.146 -3.746 233 2HB ARG 30 HB1 ARG 30 6.137 -1.807 -2.905 234 1HG ARG 30 HG2 ARG 30 7.214 -0.040 -2.098 235 2HG ARG 30 HG1 ARG 30 7.983 -1.192 -1.004 236 1HD ARG 30 HD2 ARG 30 9.056 -0.248 -3.656 237 2HD ARG 30 HD1 ARG 30 9.632 0.242 -2.066 238 HE ARG 30 HE ARG 30 10.064 -2.328 -1.887 239 1HH1 ARG 30 HH11 ARG 30 10.650 -0.217 -4.626 240 2HH1 ARG 30 HH12 ARG 30 11.908 -1.221 -5.285 241 1HH2 ARG 30 HH21 ARG 30 11.731 -3.626 -2.748 242 2HH2 ARG 30 HH22 ARG 30 12.534 -3.142 -4.213 243 H ILE 31 HN ILE 31 4.799 -3.715 -1.605 244 HA ILE 31 HA ILE 31 4.773 -2.505 0.988 245 HB ILE 31 HB ILE 31 2.650 -3.791 -0.701 246 1HG1 ILE 31 HG12 ILE 31 1.576 -1.552 -0.305 247 2HG1 ILE 31 HG11 ILE 31 3.030 -1.067 0.580 248 1HG2 ILE 31 HG21 ILE 31 2.295 -2.941 2.173 249 2HG2 ILE 31 HG22 ILE 31 2.240 -4.600 1.573 250 3HG2 ILE 31 HG23 ILE 31 1.013 -3.438 1.069 251 1HD1 ILE 31 HD11 ILE 31 2.881 -1.833 -2.328 252 2HD1 ILE 31 HD12 ILE 31 4.343 -1.385 -1.452 253 3HD1 ILE 31 HD13 ILE 31 3.053 -0.202 -1.676 254 H LYS 32 HN LYS 32 4.541 -5.887 -0.171 255 HA LYS 32 HA LYS 32 4.306 -7.088 2.347 256 1HB LYS 32 HB2 LYS 32 5.732 -8.018 -0.138 257 2HB LYS 32 HB1 LYS 32 5.656 -8.994 1.321 258 1HG LYS 32 HG2 LYS 32 3.132 -8.768 1.160 259 2HG LYS 32 HG1 LYS 32 3.409 -8.145 -0.473 260 1HD LYS 32 HD2 LYS 32 4.645 -10.197 -1.022 261 2HD LYS 32 HD1 LYS 32 4.320 -10.814 0.598 262 1HE LYS 32 HE2 LYS 32 1.892 -10.672 0.109 263 2HE LYS 32 HE1 LYS 32 2.289 -10.186 -1.540 264 1HZ LYS 32 HZ1 LYS 32 2.936 -12.774 -0.235 265 2HZ LYS 32 HZ2 LYS 32 3.537 -12.304 -1.750 266 3HZ LYS 32 HZ3 LYS 32 1.866 -12.517 -1.530 267 H SER 33 HN SER 33 7.116 -5.963 0.591 268 HA SER 33 HA SER 33 8.994 -6.693 2.624 269 1HB SER 33 HB2 SER 33 9.577 -6.556 0.215 270 2HB SER 33 HB1 SER 33 9.264 -4.822 0.267 271 HG SER 33 HG SER 33 11.097 -5.906 2.090 272 H GLY 34 HN GLY 34 6.710 -4.266 2.429 273 1HA GLY 34 HA2 GLY 34 8.166 -2.116 3.632 274 2HA GLY 34 HA1 GLY 34 6.413 -2.272 3.556 275 H ASP 35 HN ASP 35 5.623 -4.205 4.933 276 HA ASP 35 HA ASP 35 7.168 -4.986 7.202 277 1HB ASP 35 HB2 ASP 35 6.555 -2.635 7.831 278 2HB ASP 35 HB1 ASP 35 4.862 -3.107 7.771 279 H LEU 36 HN LEU 36 5.578 -6.140 5.083 280 HA LEU 36 HA LEU 36 4.041 -7.748 4.676 281 1HB LEU 36 HB2 LEU 36 3.945 -8.058 7.673 282 2HB LEU 36 HB1 LEU 36 3.301 -9.194 6.505 283 HG LEU 36 HG LEU 36 6.217 -8.505 6.882 284 1HD1 LEU 36 HD11 LEU 36 6.415 -10.812 7.660 285 2HD1 LEU 36 HD12 LEU 36 4.670 -11.016 7.502 286 3HD1 LEU 36 HD13 LEU 36 5.322 -9.877 8.680 287 1HD2 LEU 36 HD21 LEU 36 6.635 -10.315 5.275 288 2HD2 LEU 36 HD22 LEU 36 5.748 -8.975 4.547 289 3HD2 LEU 36 HD23 LEU 36 4.899 -10.456 4.996 290 HA PRO 37 HA PRO 37 0.538 -5.016 4.810 291 1HB PRO 37 HB2 PRO 37 -0.774 -7.122 3.213 292 2HB PRO 37 HB1 PRO 37 -0.487 -5.426 2.820 293 1HG PRO 37 HG2 PRO 37 0.900 -7.395 1.646 294 2HG PRO 37 HG1 PRO 37 1.642 -5.829 2.031 295 1HD PRO 37 HD2 PRO 37 1.884 -8.447 3.460 296 2HD PRO 37 HD1 PRO 37 3.117 -7.208 3.145 297 H LYS 38 HN LYS 38 -0.957 -4.800 6.297 298 HA LYS 38 HA LYS 38 -2.224 -7.152 7.471 299 1HB LYS 38 HB2 LYS 38 -2.420 -4.224 8.193 300 2HB LYS 38 HB1 LYS 38 -3.312 -5.498 9.008 301 1HG LYS 38 HG2 LYS 38 -1.458 -5.006 10.374 302 2HG LYS 38 HG1 LYS 38 -1.079 -6.531 9.574 303 1HD LYS 38 HD2 LYS 38 0.243 -5.322 7.916 304 2HD LYS 38 HD1 LYS 38 -0.115 -3.802 8.743 305 1HE LYS 38 HE2 LYS 38 1.029 -4.621 10.744 306 2HE LYS 38 HE1 LYS 38 1.377 -6.146 9.925 307 1HZ LYS 38 HZ1 LYS 38 2.330 -3.472 9.063 308 2HZ LYS 38 HZ2 LYS 38 2.678 -4.944 8.298 309 3HZ LYS 38 HZ3 LYS 38 3.274 -4.638 9.854 310 H ALA 39 HN ALA 39 -2.632 -5.068 4.935 311 HA ALA 39 HA ALA 39 -5.228 -4.526 4.491 312 1HB ALA 39 HB1 ALA 39 -3.401 -5.926 2.547 313 2HB ALA 39 HB2 ALA 39 -3.441 -4.191 2.858 314 3HB ALA 39 HB3 ALA 39 -4.836 -4.988 2.132 315 H LYS 40 HN LYS 40 -7.005 -5.632 3.452 316 HA LYS 40 HA LYS 40 -7.090 -8.417 4.365 317 1HB LYS 40 HB2 LYS 40 -9.255 -6.349 4.034 318 2HB LYS 40 HB1 LYS 40 -9.633 -8.063 4.137 319 1HG LYS 40 HG2 LYS 40 -9.903 -7.131 6.301 320 2HG LYS 40 HG1 LYS 40 -8.440 -8.114 6.332 321 1HD LYS 40 HD2 LYS 40 -7.122 -6.017 5.958 322 2HD LYS 40 HD1 LYS 40 -8.625 -5.110 6.154 323 1HE LYS 40 HE2 LYS 40 -7.424 -5.127 8.239 324 2HE LYS 40 HE1 LYS 40 -8.886 -6.100 8.398 325 1HZ LYS 40 HZ1 LYS 40 -6.946 -7.164 9.402 326 2HZ LYS 40 HZ2 LYS 40 -6.168 -7.186 7.894 327 3HZ LYS 40 HZ3 LYS 40 -7.578 -8.095 8.134 328 H VAL 41 HN VAL 41 -5.964 -9.012 2.484 329 HA VAL 41 HA VAL 41 -7.491 -8.957 0.012 330 HB VAL 41 HB VAL 41 -5.197 -8.423 -0.268 331 1HG1 VAL 41 HG11 VAL 41 -3.355 -9.892 0.425 332 2HG1 VAL 41 HG12 VAL 41 -4.521 -10.939 1.235 333 3HG1 VAL 41 HG13 VAL 41 -4.294 -9.278 1.787 334 1HG2 VAL 41 HG21 VAL 41 -4.373 -10.198 -1.765 335 2HG2 VAL 41 HG22 VAL 41 -6.077 -9.828 -2.031 336 3HG2 VAL 41 HG23 VAL 41 -5.619 -11.279 -1.139 337 H ILE 42 HN ILE 42 -9.180 -10.243 0.760 338 HA ILE 42 HA ILE 42 -8.545 -13.016 1.456 339 HB ILE 42 HB ILE 42 -9.948 -11.840 3.064 340 1HG1 ILE 42 HG12 ILE 42 -11.930 -13.379 3.076 341 2HG1 ILE 42 HG11 ILE 42 -11.435 -13.947 1.485 342 1HG2 ILE 42 HG21 ILE 42 -11.886 -11.435 0.794 343 2HG2 ILE 42 HG22 ILE 42 -10.941 -10.186 1.604 344 3HG2 ILE 42 HG23 ILE 42 -12.195 -11.055 2.489 345 1HD1 ILE 42 HD11 ILE 42 -9.358 -14.788 2.407 346 2HD1 ILE 42 HD12 ILE 42 -10.740 -15.460 3.271 347 3HD1 ILE 42 HD13 ILE 42 -9.791 -14.165 3.999 348 H HIS 43 HN HIS 43 -9.818 -11.028 -1.016 349 HA HIS 43 HA HIS 43 -10.622 -13.417 -2.519 350 1HB HIS 43 HB2 HIS 43 -11.925 -10.709 -2.425 351 2HB HIS 43 HB1 HIS 43 -12.131 -11.766 -3.818 352 HD1 HIS 43 HD1 HIS 43 -13.744 -13.699 -3.598 353 HD2 HIS 43 HD2 HIS 43 -13.112 -11.693 -0.009 354 HE1 HIS 43 HE1 HIS 43 -15.465 -14.604 -2.000 355 HE2 HIS 43 HE2 HIS 43 -15.176 -13.244 0.103 356 H GLY 44 HN GLY 44 -8.048 -12.719 -2.581 357 1HA GLY 44 HA2 GLY 44 -6.407 -12.546 -4.189 358 2HA GLY 44 HA1 GLY 44 -7.654 -12.174 -5.365 359 H ARG 45 HN ARG 45 -8.656 -9.865 -3.827 360 HA ARG 45 HA ARG 45 -6.364 -8.053 -3.723 361 1HB ARG 45 HB2 ARG 45 -8.797 -7.569 -5.465 362 2HB ARG 45 HB1 ARG 45 -7.558 -6.370 -5.121 363 1HG ARG 45 HG2 ARG 45 -5.903 -7.716 -6.257 364 2HG ARG 45 HG1 ARG 45 -7.090 -8.991 -6.528 365 1HD ARG 45 HD2 ARG 45 -8.432 -7.392 -7.857 366 2HD ARG 45 HD1 ARG 45 -7.156 -6.192 -7.650 367 HE ARG 45 HE ARG 45 -6.215 -8.672 -8.764 368 1HH1 ARG 45 HH11 ARG 45 -7.666 -5.572 -9.504 369 2HH1 ARG 45 HH12 ARG 45 -7.114 -5.561 -11.151 370 1HH2 ARG 45 HH21 ARG 45 -5.552 -8.696 -10.954 371 2HH2 ARG 45 HH22 ARG 45 -5.971 -7.362 -11.991 372 H ALA 46 HN ALA 46 -9.891 -7.612 -3.826 373 HA ALA 46 HA ALA 46 -11.380 -6.706 -2.411 374 1HB ALA 46 HB1 ALA 46 -9.574 -7.741 -0.242 375 2HB ALA 46 HB2 ALA 46 -10.828 -8.664 -1.068 376 3HB ALA 46 HB3 ALA 46 -11.267 -7.280 -0.068 377 H ARG 47 HN ARG 47 -9.005 -5.999 0.089 378 HA ARG 47 HA ARG 47 -8.966 -3.183 -0.714 379 1HB ARG 47 HB2 ARG 47 -10.160 -4.209 1.863 380 2HB ARG 47 HB1 ARG 47 -9.615 -2.548 1.667 381 1HG ARG 47 HG2 ARG 47 -11.241 -2.133 -0.023 382 2HG ARG 47 HG1 ARG 47 -11.674 -3.843 -0.101 383 1HD ARG 47 HD2 ARG 47 -11.992 -2.136 2.357 384 2HD ARG 47 HD1 ARG 47 -13.276 -2.411 1.178 385 HE ARG 47 HE ARG 47 -12.942 -4.858 1.729 386 1HH1 ARG 47 HH11 ARG 47 -12.255 -2.324 4.059 387 2HH1 ARG 47 HH12 ARG 47 -12.595 -3.329 5.429 388 1HH2 ARG 47 HH21 ARG 47 -13.383 -6.168 3.531 389 2HH2 ARG 47 HH22 ARG 47 -13.237 -5.511 5.139 390 H TRP 48 HN TRP 48 -7.326 -1.958 0.263 391 HA TRP 48 HA TRP 48 -5.273 -3.579 1.617 392 1HB TRP 48 HB2 TRP 48 -4.980 -2.324 -0.762 393 2HB TRP 48 HB1 TRP 48 -4.507 -1.019 0.322 394 HD1 TRP 48 HD1 TRP 48 -2.483 -1.739 2.137 395 HE1 TRP 48 HE1 TRP 48 -0.404 -3.183 1.696 396 HE3 TRP 48 HE3 TRP 48 -4.051 -4.121 -2.095 397 HZ2 TRP 48 HZ2 TRP 48 0.469 -5.079 -0.221 398 HZ3 TRP 48 HZ3 TRP 48 -2.538 -5.733 -3.175 399 HH2 TRP 48 HH2 TRP 48 -0.326 -6.200 -2.256 400 H LEU 49 HN LEU 49 -4.310 -2.759 3.481 401 HA LEU 49 HA LEU 49 -5.646 -0.499 4.718 402 1HB LEU 49 HB2 LEU 49 -3.684 -2.552 5.706 403 2HB LEU 49 HB1 LEU 49 -4.112 -1.150 6.653 404 HG LEU 49 HG LEU 49 -5.945 -3.379 5.788 405 1HD1 LEU 49 HD11 LEU 49 -4.526 -3.897 7.693 406 2HD1 LEU 49 HD12 LEU 49 -6.207 -3.717 8.198 407 3HD1 LEU 49 HD13 LEU 49 -5.051 -2.421 8.503 408 1HD2 LEU 49 HD21 LEU 49 -6.624 -0.824 7.245 409 2HD2 LEU 49 HD22 LEU 49 -7.712 -2.191 7.002 410 3HD2 LEU 49 HD23 LEU 49 -7.137 -1.265 5.615 411 H TYR 50 HN TYR 50 -4.730 1.462 5.059 412 HA TYR 50 HA TYR 50 -2.584 2.185 3.363 413 1HB TYR 50 HB2 TYR 50 -4.467 3.709 4.041 414 2HB TYR 50 HB1 TYR 50 -3.688 3.869 5.613 415 HD1 TYR 50 HD1 TYR 50 -3.276 4.541 1.988 416 HD2 TYR 50 HD2 TYR 50 -1.832 5.324 5.918 417 HE1 TYR 50 HE1 TYR 50 -1.883 6.370 1.110 418 HE2 TYR 50 HE2 TYR 50 -0.439 7.155 5.048 419 HH TYR 50 HH TYR 50 0.555 7.905 2.979 420 H ARG 51 HN ARG 51 -2.721 1.327 6.740 421 HA ARG 51 HA ARG 51 -0.336 2.246 7.708 422 1HB ARG 51 HB2 ARG 51 -0.338 0.434 9.265 423 2HB ARG 51 HB1 ARG 51 -2.009 0.900 8.977 424 1HG ARG 51 HG2 ARG 51 -2.376 -0.993 7.585 425 2HG ARG 51 HG1 ARG 51 -0.657 -1.397 7.588 426 1HD ARG 51 HD2 ARG 51 -1.612 -2.872 9.124 427 2HD ARG 51 HD1 ARG 51 -0.893 -1.606 10.114 428 HE ARG 51 HE ARG 51 -3.584 -0.977 9.581 429 1HH1 ARG 51 HH11 ARG 51 -1.618 -3.127 11.510 430 2HH1 ARG 51 HH12 ARG 51 -2.860 -3.422 12.688 431 1HH2 ARG 51 HH21 ARG 51 -5.237 -1.361 11.117 432 2HH2 ARG 51 HH22 ARG 51 -4.912 -2.426 12.463 433 H ASP 52 HN ASP 52 -0.848 -0.611 5.692 434 HA ASP 52 HA ASP 52 1.796 -1.534 5.618 435 1HB ASP 52 HB2 ASP 52 -0.192 -1.759 3.352 436 2HB ASP 52 HB1 ASP 52 1.128 -2.857 3.742 437 H HIS 53 HN HIS 53 0.066 0.852 3.745 438 HA HIS 53 HA HIS 53 2.074 1.383 1.821 439 1HB HIS 53 HB2 HIS 53 -0.092 3.168 2.943 440 2HB HIS 53 HB1 HIS 53 0.947 3.613 1.597 441 HD1 HIS 53 HD1 HIS 53 -0.581 3.633 -0.326 442 HD2 HIS 53 HD2 HIS 53 -1.023 0.202 1.989 443 HE1 HIS 53 HE1 HIS 53 -2.349 2.246 -1.479 444 HE2 HIS 53 HE2 HIS 53 -2.440 0.093 -0.167 445 H CYS 54 HN CYS 54 1.282 2.760 4.969 446 HA CYS 54 HA CYS 54 3.176 4.805 5.015 447 1HB CYS 54 HB2 CYS 54 1.307 4.519 6.645 448 2HB CYS 54 HB1 CYS 54 2.191 3.186 7.376 449 HG CYS 54 HG CYS 54 3.812 6.140 7.162 450 H GLU 55 HN GLU 55 3.433 1.409 6.035 451 HA GLU 55 HA GLU 55 6.083 1.661 6.997 452 1HB GLU 55 HB2 GLU 55 4.575 -0.801 6.122 453 2HB GLU 55 HB1 GLU 55 6.100 -0.796 7.007 454 1HG GLU 55 HG2 GLU 55 3.485 0.329 8.001 455 2HG GLU 55 HG1 GLU 55 4.200 -1.209 8.478 456 H PHE 56 HN PHE 56 4.728 0.547 3.893 457 HA PHE 56 HA PHE 56 7.232 -0.078 2.775 458 1HB PHE 56 HB2 PHE 56 6.031 -0.804 1.039 459 2HB PHE 56 HB1 PHE 56 4.609 -0.358 1.964 460 HD1 PHE 56 HD1 PHE 56 7.052 1.073 -0.459 461 HD2 PHE 56 HD2 PHE 56 3.071 1.075 1.030 462 HE1 PHE 56 HE1 PHE 56 6.391 2.647 -2.234 463 HE2 PHE 56 HE2 PHE 56 2.397 2.628 -0.736 464 HZ PHE 56 HZ PHE 56 4.068 3.376 -2.418 465 H LYS 57 HN LYS 57 5.237 2.857 2.466 466 HA LYS 57 HA LYS 57 6.983 4.384 0.920 467 1HB LYS 57 HB2 LYS 57 4.999 5.182 3.047 468 2HB LYS 57 HB1 LYS 57 5.878 6.358 2.081 469 1HG LYS 57 HG2 LYS 57 4.110 4.214 0.932 470 2HG LYS 57 HG1 LYS 57 3.591 5.871 1.256 471 1HD LYS 57 HD2 LYS 57 5.995 5.298 -0.439 472 2HD LYS 57 HD1 LYS 57 4.370 5.261 -1.128 473 1HE LYS 57 HE2 LYS 57 5.598 7.593 0.336 474 2HE LYS 57 HE1 LYS 57 5.499 7.438 -1.418 475 1HZ LYS 57 HZ1 LYS 57 3.680 8.749 -0.833 476 2HZ LYS 57 HZ2 LYS 57 3.291 7.809 0.518 477 3HZ LYS 57 HZ3 LYS 57 2.997 7.210 -1.040 478 H ASN 58 HN ASN 58 7.043 3.537 4.254 479 HA ASN 58 HA ASN 58 8.743 5.517 5.259 480 1HB ASN 58 HB2 ASN 58 7.424 4.092 6.697 481 2HB ASN 58 HB1 ASN 58 8.270 2.659 6.115 482 1HD2 ASN 58 HD21 ASN 58 8.961 2.038 8.097 483 2HD2 ASN 58 HD22 ASN 58 10.159 2.902 9.008 484 H LYS 59 HN LYS 59 9.503 2.295 3.873 485 HA LYS 59 HA LYS 59 12.308 2.781 4.460 486 1HB LYS 59 HB2 LYS 59 12.701 0.565 4.226 487 2HB LYS 59 HB1 LYS 59 10.978 0.479 4.539 488 1HG LYS 59 HG2 LYS 59 11.964 0.630 1.732 489 2HG LYS 59 HG1 LYS 59 12.045 -0.892 2.617 490 1HD LYS 59 HD2 LYS 59 9.601 -0.616 3.114 491 2HD LYS 59 HD1 LYS 59 9.600 0.740 1.984 492 1HE LYS 59 HE2 LYS 59 8.858 -1.326 0.907 493 2HE LYS 59 HE1 LYS 59 10.358 -0.727 0.195 494 1HZ LYS 59 HZ1 LYS 59 10.507 -3.097 0.536 495 2HZ LYS 59 HZ2 LYS 59 10.105 -2.937 2.174 496 3HZ LYS 59 HZ3 LYS 59 11.576 -2.328 1.601 497 H LEU 60 HN LEU 60 10.142 3.197 1.852 498 HA LEU 60 HA LEU 60 12.232 3.560 -0.106 499 1HB LEU 60 HB2 LEU 60 9.294 4.199 -0.055 500 2HB LEU 60 HB1 LEU 60 10.328 4.759 -1.353 501 HG LEU 60 HG LEU 60 9.689 1.893 -0.652 502 1HD1 LEU 60 HD11 LEU 60 7.978 3.122 -1.882 503 2HD1 LEU 60 HD12 LEU 60 8.710 1.849 -2.854 504 3HD1 LEU 60 HD13 LEU 60 9.166 3.533 -3.118 505 1HD2 LEU 60 HD21 LEU 60 12.004 1.942 -1.269 506 2HD2 LEU 60 HD22 LEU 60 11.673 3.027 -2.617 507 3HD2 LEU 60 HD23 LEU 60 11.083 1.365 -2.662 508 H LEU 61 HN LEU 61 10.557 5.435 2.267 509 HA LEU 61 HA LEU 61 11.028 8.034 1.326 510 1HB LEU 61 HB2 LEU 61 9.457 7.301 3.162 511 2HB LEU 61 HB1 LEU 61 10.855 7.161 4.208 512 HG LEU 61 HG LEU 61 11.292 9.589 3.853 513 1HD1 LEU 61 HD11 LEU 61 9.473 10.960 2.940 514 2HD1 LEU 61 HD12 LEU 61 8.598 9.491 2.498 515 3HD1 LEU 61 HD13 LEU 61 10.141 9.866 1.729 516 1HD2 LEU 61 HD21 LEU 61 8.592 8.864 4.986 517 2HD2 LEU 61 HD22 LEU 61 9.488 10.344 5.327 518 3HD2 LEU 61 HD23 LEU 61 10.133 8.784 5.842 519 H SER 62 HN SER 62 12.907 5.925 3.443 520 HA SER 62 HA SER 62 14.942 7.865 3.942 521 1HB SER 62 HB2 SER 62 16.179 5.875 4.879 522 2HB SER 62 HB1 SER 62 14.591 6.159 5.586 523 HG SER 62 HG SER 62 14.264 4.141 5.092 524 H ARG 63 HN ARG 63 14.196 6.003 1.256 525 HA ARG 63 HA ARG 63 16.964 5.895 0.332 526 1HB ARG 63 HB2 ARG 63 14.438 4.740 -0.852 527 2HB ARG 63 HB1 ARG 63 16.029 4.609 -1.584 528 1HG ARG 63 HG2 ARG 63 16.827 3.388 0.385 529 2HG ARG 63 HG1 ARG 63 15.212 3.501 1.092 530 1HD ARG 63 HD2 ARG 63 14.313 2.268 -0.844 531 2HD ARG 63 HD1 ARG 63 15.948 2.115 -1.483 532 HE ARG 63 HE ARG 63 15.995 1.088 1.090 533 1HH1 ARG 63 HH11 ARG 63 14.471 0.350 -1.986 534 2HH1 ARG 63 HH12 ARG 63 14.349 -1.353 -1.646 535 1HH2 ARG 63 HH21 ARG 63 15.800 -1.134 1.539 536 2HH2 ARG 63 HH22 ARG 63 15.080 -2.191 0.366 537 H ALA 64 HN ALA 64 14.020 6.466 -1.562 538 HA ALA 64 HA ALA 64 14.551 9.199 -2.121 539 1HB ALA 64 HB1 ALA 64 16.447 8.253 -3.336 540 2HB ALA 64 HB2 ALA 64 15.285 8.987 -4.442 541 3HB ALA 64 HB3 ALA 64 15.348 7.234 -4.267 542 H ASN 65 HN ASN 65 12.286 7.396 -1.505 543 HA ASN 65 HA ASN 65 10.576 8.178 -3.752 544 1HB ASN 65 HB2 ASN 65 11.305 5.780 -4.035 545 2HB ASN 65 HB1 ASN 65 10.455 5.411 -2.539 546 1HD2 ASN 65 HD21 ASN 65 9.989 4.381 -5.197 547 2HD2 ASN 65 HD22 ASN 65 8.359 4.783 -5.603 548 H GLY 66 HN GLY 66 9.612 9.744 -2.525 549 1HA GLY 66 HA2 GLY 66 7.610 8.750 -0.651 550 2HA GLY 66 HA1 GLY 66 8.741 9.946 -0.030 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -7.388 11.743 -7.074 2 2H MET 1 HT2 MET 1 -8.070 13.288 -6.900 3 3H MET 1 HT3 MET 1 -8.990 11.913 -6.546 4 HA MET 1 HA MET 1 -7.628 11.381 -4.681 5 1HB MET 1 HB2 MET 1 -6.072 13.850 -5.490 6 2HB MET 1 HB1 MET 1 -5.869 13.002 -3.964 7 1HG MET 1 HG2 MET 1 -5.215 10.980 -5.212 8 2HG MET 1 HG1 MET 1 -5.324 11.903 -6.709 9 1HE MET 1 HE1 MET 1 -2.293 12.812 -3.341 10 2HE MET 1 HE2 MET 1 -3.429 11.466 -3.291 11 3HE MET 1 HE3 MET 1 -4.022 13.121 -3.197 12 H GLN 2 HN GLN 2 -10.015 12.028 -4.560 13 HA GLN 2 HA GLN 2 -10.422 14.760 -3.592 14 1HB GLN 2 HB2 GLN 2 -11.825 13.544 -5.413 15 2HB GLN 2 HB1 GLN 2 -12.587 12.735 -4.052 16 1HG GLN 2 HG2 GLN 2 -13.327 14.855 -3.161 17 2HG GLN 2 HG1 GLN 2 -12.476 15.715 -4.449 18 1HE2 GLN 2 HE21 GLN 2 -15.239 13.806 -3.614 19 2HE2 GLN 2 HE22 GLN 2 -16.098 14.022 -5.109 20 H HIS 3 HN HIS 3 -10.067 11.575 -2.464 21 HA HIS 3 HA HIS 3 -11.172 12.345 0.158 22 1HB HIS 3 HB2 HIS 3 -11.185 9.704 -1.273 23 2HB HIS 3 HB1 HIS 3 -11.288 9.773 0.479 24 HD1 HIS 3 HD1 HIS 3 -13.553 10.124 1.454 25 HD2 HIS 3 HD2 HIS 3 -13.403 11.068 -2.594 26 HE1 HIS 3 HE1 HIS 3 -15.934 10.557 0.770 27 HE2 HIS 3 HE2 HIS 3 -15.781 11.362 -1.614 28 H GLU 4 HN GLU 4 -9.774 12.386 1.801 29 HA GLU 4 HA GLU 4 -7.183 11.071 1.461 30 1HB GLU 4 HB2 GLU 4 -6.333 12.509 3.187 31 2HB GLU 4 HB1 GLU 4 -7.172 13.496 1.995 32 1HG GLU 4 HG2 GLU 4 -9.026 13.789 3.405 33 2HG GLU 4 HG1 GLU 4 -8.467 12.538 4.512 34 H LEU 5 HN LEU 5 -6.265 10.145 3.546 35 HA LEU 5 HA LEU 5 -8.320 9.049 5.279 36 1HB LEU 5 HB2 LEU 5 -7.278 6.727 4.954 37 2HB LEU 5 HB1 LEU 5 -8.435 7.317 3.782 38 HG LEU 5 HG LEU 5 -6.689 7.738 2.173 39 1HD1 LEU 5 HD11 LEU 5 -4.347 7.203 2.620 40 2HD1 LEU 5 HD12 LEU 5 -4.743 6.880 4.308 41 3HD1 LEU 5 HD13 LEU 5 -4.921 8.509 3.656 42 1HD2 LEU 5 HD21 LEU 5 -5.732 5.408 1.998 43 2HD2 LEU 5 HD22 LEU 5 -7.490 5.515 2.125 44 3HD2 LEU 5 HD23 LEU 5 -6.530 5.062 3.535 45 H GLN 6 HN GLN 6 -7.397 7.699 7.017 46 HA GLN 6 HA GLN 6 -4.837 8.806 7.923 47 1HB GLN 6 HB2 GLN 6 -5.538 8.137 10.168 48 2HB GLN 6 HB1 GLN 6 -6.787 9.119 9.417 49 1HG GLN 6 HG2 GLN 6 -8.129 7.196 8.975 50 2HG GLN 6 HG1 GLN 6 -6.837 6.116 9.496 51 1HE2 GLN 6 HE21 GLN 6 -7.560 9.089 11.158 52 2HE2 GLN 6 HE22 GLN 6 -8.206 8.358 12.593 53 HA PRO 7 HA PRO 7 -2.363 5.121 7.794 54 1HB PRO 7 HB2 PRO 7 -2.921 4.799 10.724 55 2HB PRO 7 HB1 PRO 7 -1.399 4.593 9.845 56 1HG PRO 7 HG2 PRO 7 -1.898 6.836 11.189 57 2HG PRO 7 HG1 PRO 7 -1.060 6.869 9.627 58 1HD PRO 7 HD2 PRO 7 -3.807 7.725 10.309 59 2HD PRO 7 HD1 PRO 7 -2.759 8.249 8.977 60 H ASP 8 HN ASP 8 -5.259 4.697 9.877 61 HA ASP 8 HA ASP 8 -5.506 2.007 8.721 62 1HB ASP 8 HB2 ASP 8 -5.600 2.262 11.221 63 2HB ASP 8 HB1 ASP 8 -7.100 3.163 11.015 64 H SER 9 HN SER 9 -6.521 2.102 6.858 65 HA SER 9 HA SER 9 -9.227 2.808 6.611 66 1HB SER 9 HB2 SER 9 -8.221 5.113 6.682 67 2HB SER 9 HB1 SER 9 -7.326 4.712 5.220 68 HG SER 9 HG SER 9 -9.786 5.649 5.404 69 H LEU 10 HN LEU 10 -9.709 2.941 4.059 70 HA LEU 10 HA LEU 10 -8.319 0.563 3.051 71 1HB LEU 10 HB2 LEU 10 -10.302 -0.095 1.918 72 2HB LEU 10 HB1 LEU 10 -10.733 0.295 3.568 73 HG LEU 10 HG LEU 10 -11.152 2.235 1.297 74 1HD1 LEU 10 HD11 LEU 10 -13.063 0.167 2.371 75 2HD1 LEU 10 HD12 LEU 10 -12.360 0.212 0.754 76 3HD1 LEU 10 HD13 LEU 10 -13.484 1.472 1.261 77 1HD2 LEU 10 HD21 LEU 10 -12.210 2.018 4.109 78 2HD2 LEU 10 HD22 LEU 10 -12.944 3.048 2.881 79 3HD2 LEU 10 HD23 LEU 10 -11.283 3.337 3.391 80 H VAL 11 HN VAL 11 -6.939 0.918 1.515 81 HA VAL 11 HA VAL 11 -7.513 2.924 -0.564 82 HB VAL 11 HB VAL 11 -5.193 2.894 -1.138 83 1HG1 VAL 11 HG11 VAL 11 -4.077 3.532 0.938 84 2HG1 VAL 11 HG12 VAL 11 -5.410 2.840 1.862 85 3HG1 VAL 11 HG13 VAL 11 -5.690 4.235 0.819 86 1HG2 VAL 11 HG21 VAL 11 -4.805 0.509 -0.995 87 2HG2 VAL 11 HG22 VAL 11 -4.877 0.591 0.769 88 3HG2 VAL 11 HG23 VAL 11 -3.570 1.398 -0.101 89 H ASP 12 HN ASP 12 -6.884 2.195 -2.816 90 HA ASP 12 HA ASP 12 -7.175 -0.705 -3.151 91 1HB ASP 12 HB2 ASP 12 -8.826 -0.547 -4.759 92 2HB ASP 12 HB1 ASP 12 -9.268 0.803 -3.721 93 H LEU 13 HN LEU 13 -6.529 -1.361 -5.455 94 HA LEU 13 HA LEU 13 -3.849 -0.950 -5.820 95 1HB LEU 13 HB2 LEU 13 -5.974 -1.672 -7.805 96 2HB LEU 13 HB1 LEU 13 -4.266 -1.701 -8.197 97 HG LEU 13 HG LEU 13 -5.670 -3.406 -6.139 98 1HD1 LEU 13 HD11 LEU 13 -4.305 -4.092 -8.740 99 2HD1 LEU 13 HD12 LEU 13 -6.042 -4.118 -8.434 100 3HD1 LEU 13 HD13 LEU 13 -4.981 -5.252 -7.597 101 1HD2 LEU 13 HD21 LEU 13 -2.748 -3.324 -6.874 102 2HD2 LEU 13 HD22 LEU 13 -3.509 -4.455 -5.757 103 3HD2 LEU 13 HD23 LEU 13 -3.443 -2.738 -5.365 104 H LYS 14 HN LYS 14 -6.465 0.709 -7.575 105 HA LYS 14 HA LYS 14 -4.785 2.244 -9.242 106 1HB LYS 14 HB2 LYS 14 -7.163 1.877 -9.709 107 2HB LYS 14 HB1 LYS 14 -7.600 2.790 -8.274 108 1HG LYS 14 HG2 LYS 14 -6.692 4.810 -9.249 109 2HG LYS 14 HG1 LYS 14 -6.156 3.909 -10.669 110 1HD LYS 14 HD2 LYS 14 -8.474 3.335 -11.183 111 2HD LYS 14 HD1 LYS 14 -9.014 4.219 -9.756 112 1HE LYS 14 HE2 LYS 14 -9.278 5.513 -11.841 113 2HE LYS 14 HE1 LYS 14 -8.205 6.295 -10.681 114 1HZ LYS 14 HZ1 LYS 14 -6.310 5.564 -11.912 115 2HZ LYS 14 HZ2 LYS 14 -7.365 6.334 -12.988 116 3HZ LYS 14 HZ3 LYS 14 -7.269 4.641 -12.963 117 H PHE 15 HN PHE 15 -6.137 2.750 -6.065 118 HA PHE 15 HA PHE 15 -5.309 5.411 -5.680 119 1HB PHE 15 HB2 PHE 15 -6.922 3.954 -4.295 120 2HB PHE 15 HB1 PHE 15 -5.474 3.370 -3.485 121 HD1 PHE 15 HD1 PHE 15 -7.204 6.545 -4.370 122 HD2 PHE 15 HD2 PHE 15 -4.617 4.507 -1.676 123 HE1 PHE 15 HE1 PHE 15 -7.220 8.505 -2.884 124 HE2 PHE 15 HE2 PHE 15 -4.623 6.468 -0.184 125 HZ PHE 15 HZ PHE 15 -5.924 8.469 -0.788 126 H ILE 16 HN ILE 16 -3.754 2.317 -4.793 127 HA ILE 16 HA ILE 16 -1.412 3.332 -3.686 128 HB ILE 16 HB ILE 16 -1.390 0.846 -5.389 129 1HG1 ILE 16 HG12 ILE 16 -2.417 1.081 -2.545 130 2HG1 ILE 16 HG11 ILE 16 -3.432 0.812 -3.953 131 1HG2 ILE 16 HG21 ILE 16 0.005 1.652 -2.836 132 2HG2 ILE 16 HG22 ILE 16 0.726 1.580 -4.441 133 3HG2 ILE 16 HG23 ILE 16 0.191 0.100 -3.648 134 1HD1 ILE 16 HD11 ILE 16 -3.049 -1.248 -2.730 135 2HD1 ILE 16 HD12 ILE 16 -1.306 -1.053 -2.925 136 3HD1 ILE 16 HD13 ILE 16 -2.327 -1.333 -4.338 137 H MET 17 HN MET 17 -2.290 2.856 -7.069 138 HA MET 17 HA MET 17 0.192 3.525 -8.218 139 1HB MET 17 HB2 MET 17 -2.595 4.005 -9.291 140 2HB MET 17 HB1 MET 17 -1.118 4.138 -10.234 141 1HG MET 17 HG2 MET 17 -0.665 1.752 -9.782 142 2HG MET 17 HG1 MET 17 -2.218 1.651 -8.952 143 1HE MET 17 HE1 MET 17 -1.359 3.734 -12.201 144 2HE MET 17 HE2 MET 17 -1.735 2.553 -13.454 145 3HE MET 17 HE3 MET 17 -0.391 2.267 -12.350 146 H ALA 18 HN ALA 18 -2.516 5.508 -7.151 147 HA ALA 18 HA ALA 18 -1.387 8.007 -7.913 148 1HB ALA 18 HB1 ALA 18 -3.104 9.003 -6.493 149 2HB ALA 18 HB2 ALA 18 -3.459 7.423 -5.794 150 3HB ALA 18 HB3 ALA 18 -3.787 7.727 -7.500 151 H ASP 19 HN ASP 19 -1.152 5.950 -5.126 152 HA ASP 19 HA ASP 19 -0.063 7.699 -3.231 153 1HB ASP 19 HB2 ASP 19 -0.919 5.329 -2.892 154 2HB ASP 19 HB1 ASP 19 0.609 4.765 -3.546 155 H THR 20 HN THR 20 1.539 5.551 -5.570 156 HA THR 20 HA THR 20 4.036 7.044 -5.113 157 HB THR 20 HB THR 20 5.123 4.971 -6.151 158 HG1 THR 20 HG1 THR 20 2.806 3.629 -5.231 159 1HG2 THR 20 HG21 THR 20 3.775 4.808 -3.460 160 2HG2 THR 20 HG22 THR 20 5.353 5.517 -3.805 161 3HG2 THR 20 HG23 THR 20 5.106 3.779 -3.989 162 H GLY 21 HN GLY 21 2.654 5.025 -7.678 163 1HA GLY 21 HA2 GLY 21 2.070 6.370 -9.768 164 2HA GLY 21 HA1 GLY 21 3.734 6.919 -9.660 165 H PHE 22 HN PHE 22 3.048 3.665 -8.725 166 HA PHE 22 HA PHE 22 4.373 2.762 -11.192 167 1HB PHE 22 HB2 PHE 22 4.722 1.614 -8.418 168 2HB PHE 22 HB1 PHE 22 5.545 1.079 -9.879 169 HD1 PHE 22 HD1 PHE 22 5.676 3.240 -7.072 170 HD2 PHE 22 HD2 PHE 22 7.026 2.804 -11.081 171 HE1 PHE 22 HE1 PHE 22 7.485 4.846 -6.631 172 HE2 PHE 22 HE2 PHE 22 8.837 4.410 -10.650 173 HZ PHE 22 HZ PHE 22 9.069 5.433 -8.422 174 H GLY 23 HN GLY 23 4.218 0.110 -11.035 175 1HA GLY 23 HA2 GLY 23 1.332 -0.293 -11.335 176 2HA GLY 23 HA1 GLY 23 2.593 -1.273 -12.063 177 H LYS 24 HN LYS 24 0.603 -2.590 -10.999 178 HA LYS 24 HA LYS 24 0.343 -3.177 -8.353 179 1HB LYS 24 HB2 LYS 24 0.325 -5.241 -10.554 180 2HB LYS 24 HB1 LYS 24 -0.488 -5.357 -9.000 181 1HG LYS 24 HG2 LYS 24 -1.935 -3.490 -9.618 182 2HG LYS 24 HG1 LYS 24 -1.107 -3.370 -11.172 183 1HD LYS 24 HD2 LYS 24 -2.663 -5.755 -10.174 184 2HD LYS 24 HD1 LYS 24 -3.217 -4.592 -11.381 185 1HE LYS 24 HE2 LYS 24 -0.810 -6.391 -11.640 186 2HE LYS 24 HE1 LYS 24 -2.373 -6.653 -12.409 187 1HZ LYS 24 HZ1 LYS 24 -0.751 -5.647 -13.916 188 2HZ LYS 24 HZ2 LYS 24 -0.614 -4.304 -12.885 189 3HZ LYS 24 HZ3 LYS 24 -2.081 -4.624 -13.664 190 H THR 25 HN THR 25 2.707 -4.648 -10.555 191 HA THR 25 HA THR 25 3.691 -6.585 -8.820 192 HB THR 25 HB THR 25 4.230 -6.604 -11.196 193 HG1 THR 25 HG1 THR 25 6.607 -6.364 -9.622 194 1HG2 THR 25 HG21 THR 25 5.998 -4.224 -10.612 195 2HG2 THR 25 HG22 THR 25 4.519 -4.209 -11.573 196 3HG2 THR 25 HG23 THR 25 5.929 -5.104 -12.139 197 H PHE 26 HN PHE 26 4.740 -3.214 -9.210 198 HA PHE 26 HA PHE 26 6.916 -3.306 -7.442 199 1HB PHE 26 HB2 PHE 26 6.843 -1.412 -8.804 200 2HB PHE 26 HB1 PHE 26 5.131 -1.140 -8.503 201 HD1 PHE 26 HD1 PHE 26 4.389 0.096 -6.583 202 HD2 PHE 26 HD2 PHE 26 8.511 -0.727 -7.204 203 HE1 PHE 26 HE1 PHE 26 4.976 1.754 -4.861 204 HE2 PHE 26 HE2 PHE 26 9.111 0.931 -5.487 205 HZ PHE 26 HZ PHE 26 7.255 2.191 -4.301 206 H ILE 27 HN ILE 27 3.500 -2.632 -6.996 207 HA ILE 27 HA ILE 27 3.571 -1.746 -4.350 208 HB ILE 27 HB ILE 27 1.345 -3.246 -5.728 209 1HG1 ILE 27 HG12 ILE 27 1.777 -0.258 -5.555 210 2HG1 ILE 27 HG11 ILE 27 2.235 -1.228 -6.951 211 1HG2 ILE 27 HG21 ILE 27 -0.106 -1.998 -4.156 212 2HG2 ILE 27 HG22 ILE 27 1.340 -1.392 -3.345 213 3HG2 ILE 27 HG23 ILE 27 0.986 -3.121 -3.344 214 1HD1 ILE 27 HD11 ILE 27 -0.538 -0.780 -5.883 215 2HD1 ILE 27 HD12 ILE 27 -0.137 -1.896 -7.188 216 3HD1 ILE 27 HD13 ILE 27 0.146 -0.166 -7.391 217 H TYR 28 HN TYR 28 2.555 -4.973 -5.503 218 HA TYR 28 HA TYR 28 2.269 -6.054 -2.951 219 1HB TYR 28 HB2 TYR 28 2.752 -7.367 -5.624 220 2HB TYR 28 HB1 TYR 28 2.464 -8.290 -4.152 221 HD1 TYR 28 HD1 TYR 28 0.910 -5.403 -5.986 222 HD2 TYR 28 HD2 TYR 28 0.299 -8.996 -3.787 223 HE1 TYR 28 HE1 TYR 28 -1.516 -5.192 -6.323 224 HE2 TYR 28 HE2 TYR 28 -2.124 -8.795 -4.121 225 HH TYR 28 HH TYR 28 -3.782 -7.127 -4.622 226 H ASP 29 HN ASP 29 5.090 -5.986 -5.090 227 HA ASP 29 HA ASP 29 6.743 -7.619 -3.465 228 1HB ASP 29 HB2 ASP 29 7.370 -7.238 -5.755 229 2HB ASP 29 HB1 ASP 29 7.411 -5.494 -5.509 230 H ARG 30 HN ARG 30 6.562 -4.078 -3.792 231 HA ARG 30 HA ARG 30 8.567 -3.513 -1.898 232 1HB ARG 30 HB2 ARG 30 7.704 -1.977 -3.693 233 2HB ARG 30 HB1 ARG 30 6.279 -1.713 -2.699 234 1HG ARG 30 HG2 ARG 30 7.405 0.012 -1.868 235 2HG ARG 30 HG1 ARG 30 8.311 -1.189 -0.948 236 1HD ARG 30 HD2 ARG 30 9.077 -0.115 -3.664 237 2HD ARG 30 HD1 ARG 30 9.776 0.405 -2.131 238 HE ARG 30 HE ARG 30 10.573 -1.938 -1.905 239 1HH1 ARG 30 HH11 ARG 30 9.940 -0.556 -5.051 240 2HH1 ARG 30 HH12 ARG 30 10.964 -1.677 -5.894 241 1HH2 ARG 30 HH21 ARG 30 11.929 -3.416 -3.008 242 2HH2 ARG 30 HH22 ARG 30 12.061 -3.321 -4.738 243 H ILE 31 HN ILE 31 5.035 -3.667 -1.605 244 HA ILE 31 HA ILE 31 4.984 -2.631 1.044 245 HB ILE 31 HB ILE 31 2.908 -3.994 -0.654 246 1HG1 ILE 31 HG12 ILE 31 1.720 -1.812 -0.264 247 2HG1 ILE 31 HG11 ILE 31 3.140 -1.238 0.600 248 1HG2 ILE 31 HG21 ILE 31 2.575 -3.178 2.232 249 2HG2 ILE 31 HG22 ILE 31 2.536 -4.823 1.601 250 3HG2 ILE 31 HG23 ILE 31 1.273 -3.677 1.151 251 1HD1 ILE 31 HD11 ILE 31 4.462 -1.418 -1.420 252 2HD1 ILE 31 HD12 ILE 31 3.045 -0.395 -1.671 253 3HD1 ILE 31 HD13 ILE 31 3.062 -2.045 -2.294 254 H LYS 32 HN LYS 32 4.666 -5.978 -0.228 255 HA LYS 32 HA LYS 32 4.352 -7.227 2.267 256 1HB LYS 32 HB2 LYS 32 5.493 -8.235 -0.324 257 2HB LYS 32 HB1 LYS 32 5.327 -9.257 1.096 258 1HG LYS 32 HG2 LYS 32 2.894 -8.769 1.097 259 2HG LYS 32 HG1 LYS 32 3.118 -7.892 -0.421 260 1HD LYS 32 HD2 LYS 32 3.969 -9.903 -1.479 261 2HD LYS 32 HD1 LYS 32 3.833 -10.779 0.044 262 1HE LYS 32 HE2 LYS 32 1.414 -10.486 0.009 263 2HE LYS 32 HE1 LYS 32 1.537 -9.564 -1.488 264 1HZ LYS 32 HZ1 LYS 32 2.362 -11.510 -2.614 265 2HZ LYS 32 HZ2 LYS 32 0.895 -11.889 -1.856 266 3HZ LYS 32 HZ3 LYS 32 2.359 -12.403 -1.174 267 H SER 33 HN SER 33 7.252 -6.413 0.441 268 HA SER 33 HA SER 33 9.088 -7.693 2.173 269 1HB SER 33 HB2 SER 33 9.584 -7.072 -0.175 270 2HB SER 33 HB1 SER 33 9.531 -5.371 0.292 271 HG SER 33 HG SER 33 11.282 -7.248 1.504 272 H GLY 34 HN GLY 34 7.389 -4.700 2.344 273 1HA GLY 34 HA2 GLY 34 9.255 -3.296 4.000 274 2HA GLY 34 HA1 GLY 34 7.572 -2.867 3.729 275 H ASP 35 HN ASP 35 5.957 -4.291 4.860 276 HA ASP 35 HA ASP 35 6.835 -5.633 7.251 277 1HB ASP 35 HB2 ASP 35 7.034 -3.201 7.849 278 2HB ASP 35 HB1 ASP 35 5.297 -3.056 7.612 279 H LEU 36 HN LEU 36 5.581 -7.075 5.814 280 HA LEU 36 HA LEU 36 3.639 -8.231 5.296 281 1HB LEU 36 HB2 LEU 36 3.665 -8.065 8.298 282 2HB LEU 36 HB1 LEU 36 2.757 -9.245 7.373 283 HG LEU 36 HG LEU 36 5.762 -8.976 7.438 284 1HD1 LEU 36 HD11 LEU 36 4.835 -9.902 9.489 285 2HD1 LEU 36 HD12 LEU 36 5.685 -11.140 8.565 286 3HD1 LEU 36 HD13 LEU 36 3.923 -11.086 8.550 287 1HD2 LEU 36 HD21 LEU 36 4.012 -10.970 6.003 288 2HD2 LEU 36 HD22 LEU 36 5.771 -11.039 6.117 289 3HD2 LEU 36 HD23 LEU 36 4.995 -9.715 5.246 290 HA PRO 37 HA PRO 37 0.536 -4.861 5.240 291 1HB PRO 37 HB2 PRO 37 -0.977 -6.236 3.333 292 2HB PRO 37 HB1 PRO 37 0.234 -4.996 3.000 293 1HG PRO 37 HG2 PRO 37 0.480 -7.964 2.906 294 2HG PRO 37 HG1 PRO 37 1.219 -6.738 1.859 295 1HD PRO 37 HD2 PRO 37 2.636 -7.986 3.751 296 2HD PRO 37 HD1 PRO 37 2.902 -6.270 3.388 297 H LYS 38 HN LYS 38 -1.146 -4.683 6.509 298 HA LYS 38 HA LYS 38 -2.403 -7.074 7.592 299 1HB LYS 38 HB2 LYS 38 -2.764 -4.165 8.339 300 2HB LYS 38 HB1 LYS 38 -3.542 -5.510 9.155 301 1HG LYS 38 HG2 LYS 38 -1.712 -4.868 10.501 302 2HG LYS 38 HG1 LYS 38 -1.231 -6.368 9.698 303 1HD LYS 38 HD2 LYS 38 -0.064 -5.036 7.992 304 2HD LYS 38 HD1 LYS 38 -0.480 -3.567 8.877 305 1HE LYS 38 HE2 LYS 38 0.807 -4.344 10.793 306 2HE LYS 38 HE1 LYS 38 1.197 -5.839 9.939 307 1HZ LYS 38 HZ1 LYS 38 1.988 -3.100 9.100 308 2HZ LYS 38 HZ2 LYS 38 2.346 -4.524 8.256 309 3HZ LYS 38 HZ3 LYS 38 3.016 -4.258 9.785 310 H ALA 39 HN ALA 39 -2.811 -4.946 5.071 311 HA ALA 39 HA ALA 39 -5.448 -4.565 4.606 312 1HB ALA 39 HB1 ALA 39 -3.657 -3.983 3.046 313 2HB ALA 39 HB2 ALA 39 -4.965 -4.848 2.239 314 3HB ALA 39 HB3 ALA 39 -3.464 -5.687 2.635 315 H LYS 40 HN LYS 40 -7.140 -5.770 3.616 316 HA LYS 40 HA LYS 40 -6.903 -8.638 4.185 317 1HB LYS 40 HB2 LYS 40 -9.226 -6.736 4.214 318 2HB LYS 40 HB1 LYS 40 -9.511 -8.449 3.949 319 1HG LYS 40 HG2 LYS 40 -9.827 -7.914 6.270 320 2HG LYS 40 HG1 LYS 40 -8.409 -8.945 6.089 321 1HD LYS 40 HD2 LYS 40 -6.985 -6.903 6.198 322 2HD LYS 40 HD1 LYS 40 -8.442 -5.961 6.534 323 1HE LYS 40 HE2 LYS 40 -8.830 -7.216 8.565 324 2HE LYS 40 HE1 LYS 40 -7.463 -8.271 8.211 325 1HZ LYS 40 HZ1 LYS 40 -6.807 -6.640 9.811 326 2HZ LYS 40 HZ2 LYS 40 -7.350 -5.369 8.834 327 3HZ LYS 40 HZ3 LYS 40 -6.016 -6.299 8.352 328 H VAL 41 HN VAL 41 -5.844 -9.071 2.252 329 HA VAL 41 HA VAL 41 -7.278 -8.444 -0.222 330 HB VAL 41 HB VAL 41 -4.486 -9.568 0.117 331 1HG1 VAL 41 HG11 VAL 41 -5.809 -8.358 -2.309 332 2HG1 VAL 41 HG12 VAL 41 -5.570 -10.084 -2.043 333 3HG1 VAL 41 HG13 VAL 41 -4.174 -9.017 -2.219 334 1HG2 VAL 41 HG21 VAL 41 -3.709 -7.307 -0.451 335 2HG2 VAL 41 HG22 VAL 41 -4.620 -7.332 1.059 336 3HG2 VAL 41 HG23 VAL 41 -5.378 -6.736 -0.418 337 H ILE 42 HN ILE 42 -8.904 -10.040 0.207 338 HA ILE 42 HA ILE 42 -7.980 -12.796 -0.201 339 HB ILE 42 HB ILE 42 -9.358 -12.477 1.797 340 1HG1 ILE 42 HG12 ILE 42 -11.005 -14.235 1.382 341 2HG1 ILE 42 HG11 ILE 42 -10.848 -13.992 -0.357 342 1HG2 ILE 42 HG21 ILE 42 -11.737 -11.886 1.595 343 2HG2 ILE 42 HG22 ILE 42 -11.486 -11.531 -0.115 344 3HG2 ILE 42 HG23 ILE 42 -10.669 -10.567 1.116 345 1HD1 ILE 42 HD11 ILE 42 -8.691 -14.970 1.498 346 2HD1 ILE 42 HD12 ILE 42 -8.517 -14.706 -0.239 347 3HD1 ILE 42 HD13 ILE 42 -9.618 -15.948 0.360 348 H HIS 43 HN HIS 43 -9.742 -10.194 -1.584 349 HA HIS 43 HA HIS 43 -10.872 -11.898 -3.679 350 1HB HIS 43 HB2 HIS 43 -12.243 -10.153 -2.392 351 2HB HIS 43 HB1 HIS 43 -11.342 -8.940 -3.294 352 HD1 HIS 43 HD1 HIS 43 -12.219 -8.335 -5.548 353 HD2 HIS 43 HD2 HIS 43 -13.836 -11.892 -4.116 354 HE1 HIS 43 HE1 HIS 43 -14.017 -8.975 -7.190 355 HE2 HIS 43 HE2 HIS 43 -15.037 -11.086 -6.261 356 H GLY 44 HN GLY 44 -8.079 -11.542 -3.665 357 1HA GLY 44 HA2 GLY 44 -6.443 -11.222 -5.269 358 2HA GLY 44 HA1 GLY 44 -7.661 -10.509 -6.316 359 H ARG 45 HN ARG 45 -8.497 -8.511 -4.423 360 HA ARG 45 HA ARG 45 -6.099 -7.109 -3.591 361 1HB ARG 45 HB2 ARG 45 -6.705 -4.998 -4.613 362 2HB ARG 45 HB1 ARG 45 -6.580 -6.222 -5.867 363 1HG ARG 45 HG2 ARG 45 -8.994 -6.404 -5.965 364 2HG ARG 45 HG1 ARG 45 -9.152 -5.237 -4.651 365 1HD ARG 45 HD2 ARG 45 -7.895 -3.609 -6.139 366 2HD ARG 45 HD1 ARG 45 -8.139 -4.769 -7.446 367 HE ARG 45 HE ARG 45 -10.488 -3.833 -5.970 368 1HH1 ARG 45 HH11 ARG 45 -8.619 -3.883 -8.940 369 2HH1 ARG 45 HH12 ARG 45 -9.844 -3.070 -9.871 370 1HH2 ARG 45 HH21 ARG 45 -12.087 -2.757 -7.190 371 2HH2 ARG 45 HH22 ARG 45 -11.832 -2.472 -8.887 372 H ALA 46 HN ALA 46 -9.630 -7.133 -3.779 373 HA ALA 46 HA ALA 46 -11.287 -6.516 -2.389 374 1HB ALA 46 HB1 ALA 46 -9.379 -7.423 -0.245 375 2HB ALA 46 HB2 ALA 46 -10.466 -8.460 -1.170 376 3HB ALA 46 HB3 ALA 46 -11.125 -7.238 -0.081 377 H ARG 47 HN ARG 47 -9.112 -5.658 0.217 378 HA ARG 47 HA ARG 47 -9.043 -2.888 -0.653 379 1HB ARG 47 HB2 ARG 47 -10.085 -1.929 1.220 380 2HB ARG 47 HB1 ARG 47 -11.148 -3.246 0.759 381 1HG ARG 47 HG2 ARG 47 -10.093 -4.630 2.547 382 2HG ARG 47 HG1 ARG 47 -9.212 -3.188 3.063 383 1HD ARG 47 HD2 ARG 47 -11.672 -2.164 2.997 384 2HD ARG 47 HD1 ARG 47 -12.093 -3.848 3.301 385 HE ARG 47 HE ARG 47 -10.433 -2.150 5.054 386 1HH1 ARG 47 HH11 ARG 47 -12.452 -4.984 4.562 387 2HH1 ARG 47 HH12 ARG 47 -12.567 -5.343 6.263 388 1HH2 ARG 47 HH21 ARG 47 -10.606 -2.600 7.266 389 2HH2 ARG 47 HH22 ARG 47 -11.525 -3.973 7.810 390 H TRP 48 HN TRP 48 -7.187 -1.915 -0.084 391 HA TRP 48 HA TRP 48 -5.337 -3.524 1.531 392 1HB TRP 48 HB2 TRP 48 -4.884 -2.601 -0.932 393 2HB TRP 48 HB1 TRP 48 -4.426 -1.153 -0.045 394 HD1 TRP 48 HD1 TRP 48 -2.547 -1.737 2.047 395 HE1 TRP 48 HE1 TRP 48 -0.442 -3.196 1.844 396 HE3 TRP 48 HE3 TRP 48 -3.806 -4.374 -2.136 397 HZ2 TRP 48 HZ2 TRP 48 0.565 -5.187 0.111 398 HZ3 TRP 48 HZ3 TRP 48 -2.215 -6.032 -3.008 399 HH2 TRP 48 HH2 TRP 48 -0.075 -6.429 -1.908 400 H LEU 49 HN LEU 49 -4.304 -2.607 3.307 401 HA LEU 49 HA LEU 49 -5.690 -0.299 4.378 402 1HB LEU 49 HB2 LEU 49 -4.141 -2.539 5.516 403 2HB LEU 49 HB1 LEU 49 -4.069 -1.010 6.373 404 HG LEU 49 HG LEU 49 -6.552 -1.005 6.493 405 1HD1 LEU 49 HD11 LEU 49 -6.326 -3.806 5.411 406 2HD1 LEU 49 HD12 LEU 49 -6.995 -2.425 4.544 407 3HD1 LEU 49 HD13 LEU 49 -7.794 -3.025 5.997 408 1HD2 LEU 49 HD21 LEU 49 -6.713 -2.825 8.163 409 2HD2 LEU 49 HD22 LEU 49 -5.316 -1.775 8.380 410 3HD2 LEU 49 HD23 LEU 49 -5.114 -3.372 7.659 411 H TYR 50 HN TYR 50 -4.736 1.573 4.984 412 HA TYR 50 HA TYR 50 -2.555 2.339 3.347 413 1HB TYR 50 HB2 TYR 50 -4.446 3.842 4.010 414 2HB TYR 50 HB1 TYR 50 -3.750 3.919 5.627 415 HD1 TYR 50 HD1 TYR 50 -3.137 4.758 2.072 416 HD2 TYR 50 HD2 TYR 50 -1.935 5.353 6.114 417 HE1 TYR 50 HE1 TYR 50 -1.705 6.628 1.365 418 HE2 TYR 50 HE2 TYR 50 -0.501 7.231 5.415 419 HH TYR 50 HH TYR 50 0.596 8.086 3.467 420 H ARG 51 HN ARG 51 -2.857 1.364 6.670 421 HA ARG 51 HA ARG 51 -0.493 2.217 7.777 422 1HB ARG 51 HB2 ARG 51 -0.633 0.358 9.308 423 2HB ARG 51 HB1 ARG 51 -2.242 1.003 9.011 424 1HG ARG 51 HG2 ARG 51 -2.791 -0.816 7.587 425 2HG ARG 51 HG1 ARG 51 -1.122 -1.398 7.599 426 1HD ARG 51 HD2 ARG 51 -2.402 -2.755 9.085 427 2HD ARG 51 HD1 ARG 51 -1.338 -1.741 10.053 428 HE ARG 51 HE ARG 51 -4.102 -0.891 9.621 429 1HH1 ARG 51 HH11 ARG 51 -1.589 -1.991 11.779 430 2HH1 ARG 51 HH12 ARG 51 -2.532 -1.729 13.222 431 1HH2 ARG 51 HH21 ARG 51 -5.363 -0.552 11.487 432 2HH2 ARG 51 HH22 ARG 51 -4.691 -0.933 13.051 433 H ASP 52 HN ASP 52 -1.028 -0.490 5.605 434 HA ASP 52 HA ASP 52 1.586 -1.574 5.784 435 1HB ASP 52 HB2 ASP 52 -0.240 -1.781 3.392 436 2HB ASP 52 HB1 ASP 52 0.968 -2.940 3.945 437 H HIS 53 HN HIS 53 0.112 0.962 3.952 438 HA HIS 53 HA HIS 53 2.230 1.264 2.052 439 1HB HIS 53 HB2 HIS 53 0.000 3.126 2.915 440 2HB HIS 53 HB1 HIS 53 1.177 3.545 1.677 441 HD1 HIS 53 HD1 HIS 53 -0.566 3.683 -0.185 442 HD2 HIS 53 HD2 HIS 53 -0.377 -0.029 1.707 443 HE1 HIS 53 HE1 HIS 53 -2.005 2.122 -1.563 444 HE2 HIS 53 HE2 HIS 53 -1.952 -0.075 -0.336 445 H CYS 54 HN CYS 54 1.424 2.620 5.188 446 HA CYS 54 HA CYS 54 3.326 4.652 5.312 447 1HB CYS 54 HB2 CYS 54 1.478 4.135 6.992 448 2HB CYS 54 HB1 CYS 54 2.552 2.907 7.654 449 HG CYS 54 HG CYS 54 3.426 4.603 9.392 450 H GLU 55 HN GLU 55 3.591 1.189 5.914 451 HA GLU 55 HA GLU 55 6.256 1.208 6.857 452 1HB GLU 55 HB2 GLU 55 4.854 -1.036 5.408 453 2HB GLU 55 HB1 GLU 55 6.246 -1.172 6.476 454 1HG GLU 55 HG2 GLU 55 3.464 -0.352 7.280 455 2HG GLU 55 HG1 GLU 55 4.212 -1.921 7.555 456 H PHE 56 HN PHE 56 4.886 0.457 3.643 457 HA PHE 56 HA PHE 56 7.400 -0.001 2.483 458 1HB PHE 56 HB2 PHE 56 6.273 -0.570 0.617 459 2HB PHE 56 HB1 PHE 56 4.891 -0.519 1.696 460 HD1 PHE 56 HD1 PHE 56 6.720 1.454 -0.854 461 HD2 PHE 56 HD2 PHE 56 3.091 0.860 1.267 462 HE1 PHE 56 HE1 PHE 56 5.568 2.967 -2.407 463 HE2 PHE 56 HE2 PHE 56 1.935 2.385 -0.273 464 HZ PHE 56 HZ PHE 56 3.174 3.441 -2.109 465 H LYS 57 HN LYS 57 5.325 2.884 2.435 466 HA LYS 57 HA LYS 57 7.006 4.568 0.973 467 1HB LYS 57 HB2 LYS 57 5.080 5.202 3.206 468 2HB LYS 57 HB1 LYS 57 5.876 6.427 2.224 469 1HG LYS 57 HG2 LYS 57 4.094 4.259 1.155 470 2HG LYS 57 HG1 LYS 57 3.587 5.919 1.481 471 1HD LYS 57 HD2 LYS 57 5.931 5.368 -0.294 472 2HD LYS 57 HD1 LYS 57 4.286 5.249 -0.929 473 1HE LYS 57 HE2 LYS 57 5.523 7.667 0.384 474 2HE LYS 57 HE1 LYS 57 5.235 7.458 -1.344 475 1HZ LYS 57 HZ1 LYS 57 3.448 8.723 -0.575 476 2HZ LYS 57 HZ2 LYS 57 3.250 7.787 0.823 477 3HZ LYS 57 HZ3 LYS 57 2.812 7.150 -0.694 478 H ASN 58 HN ASN 58 7.099 3.556 4.283 479 HA ASN 58 HA ASN 58 8.680 5.492 5.453 480 1HB ASN 58 HB2 ASN 58 7.621 3.862 6.802 481 2HB ASN 58 HB1 ASN 58 8.352 2.538 5.908 482 1HD2 ASN 58 HD21 ASN 58 9.174 1.549 7.664 483 2HD2 ASN 58 HD22 ASN 58 10.513 2.192 8.574 484 H LYS 59 HN LYS 59 9.645 2.615 3.615 485 HA LYS 59 HA LYS 59 12.436 3.134 4.200 486 1HB LYS 59 HB2 LYS 59 12.882 1.037 3.188 487 2HB LYS 59 HB1 LYS 59 11.418 0.848 4.145 488 1HG LYS 59 HG2 LYS 59 10.197 1.328 1.916 489 2HG LYS 59 HG1 LYS 59 11.744 0.889 1.183 490 1HD LYS 59 HD2 LYS 59 11.652 -1.195 2.628 491 2HD LYS 59 HD1 LYS 59 9.969 -0.767 2.935 492 1HE LYS 59 HE2 LYS 59 9.462 -0.890 0.578 493 2HE LYS 59 HE1 LYS 59 11.161 -1.183 0.201 494 1HZ LYS 59 HZ1 LYS 59 10.170 -3.281 0.166 495 2HZ LYS 59 HZ2 LYS 59 9.256 -2.990 1.560 496 3HZ LYS 59 HZ3 LYS 59 10.931 -3.218 1.683 497 H LEU 60 HN LEU 60 10.229 3.301 1.474 498 HA LEU 60 HA LEU 60 12.114 4.051 -0.494 499 1HB LEU 60 HB2 LEU 60 9.154 4.469 -0.222 500 2HB LEU 60 HB1 LEU 60 10.046 5.095 -1.595 501 HG LEU 60 HG LEU 60 10.012 2.165 -0.847 502 1HD1 LEU 60 HD11 LEU 60 8.346 3.612 -2.894 503 2HD1 LEU 60 HD12 LEU 60 7.757 2.956 -1.367 504 3HD1 LEU 60 HD13 LEU 60 8.385 1.872 -2.606 505 1HD2 LEU 60 HD21 LEU 60 10.780 3.593 -3.393 506 2HD2 LEU 60 HD22 LEU 60 10.830 1.851 -3.108 507 3HD2 LEU 60 HD23 LEU 60 11.910 2.923 -2.216 508 H LEU 61 HN LEU 61 10.131 5.958 1.737 509 HA LEU 61 HA LEU 61 10.821 8.507 0.735 510 1HB LEU 61 HB2 LEU 61 8.890 8.019 2.215 511 2HB LEU 61 HB1 LEU 61 10.005 7.743 3.537 512 HG LEU 61 HG LEU 61 10.756 10.113 3.323 513 1HD1 LEU 61 HD11 LEU 61 10.125 10.487 1.005 514 2HD1 LEU 61 HD12 LEU 61 9.335 11.660 2.058 515 3HD1 LEU 61 HD13 LEU 61 8.422 10.291 1.420 516 1HD2 LEU 61 HD21 LEU 61 9.111 9.431 4.995 517 2HD2 LEU 61 HD22 LEU 61 7.813 9.687 3.829 518 3HD2 LEU 61 HD23 LEU 61 8.772 11.056 4.394 519 H SER 62 HN SER 62 12.264 6.405 3.135 520 HA SER 62 HA SER 62 14.244 8.312 3.958 521 1HB SER 62 HB2 SER 62 14.181 5.320 4.391 522 2HB SER 62 HB1 SER 62 15.172 6.485 5.267 523 HG SER 62 HG SER 62 12.358 6.152 5.330 524 H ARG 63 HN ARG 63 13.828 6.555 1.216 525 HA ARG 63 HA ARG 63 15.047 5.757 -0.468 526 1HB ARG 63 HB2 ARG 63 16.540 8.119 0.536 527 2HB ARG 63 HB1 ARG 63 17.142 7.195 -0.821 528 1HG ARG 63 HG2 ARG 63 15.188 7.649 -2.107 529 2HG ARG 63 HG1 ARG 63 14.387 8.370 -0.709 530 1HD ARG 63 HD2 ARG 63 16.916 9.437 -1.928 531 2HD ARG 63 HD1 ARG 63 15.308 10.003 -2.375 532 HE ARG 63 HE ARG 63 15.752 10.114 0.449 533 1HH1 ARG 63 HH11 ARG 63 16.400 11.787 -2.559 534 2HH1 ARG 63 HH12 ARG 63 16.491 13.354 -1.808 535 1HH2 ARG 63 HH21 ARG 63 15.839 12.142 1.431 536 2HH2 ARG 63 HH22 ARG 63 16.153 13.562 0.476 537 H ALA 64 HN ALA 64 15.391 4.294 1.903 538 HA ALA 64 HA ALA 64 18.246 3.618 1.934 539 1HB ALA 64 HB1 ALA 64 16.009 2.738 3.763 540 2HB ALA 64 HB2 ALA 64 17.207 3.984 4.110 541 3HB ALA 64 HB3 ALA 64 17.709 2.303 3.938 542 H ASN 65 HN ASN 65 16.744 3.020 -0.352 543 HA ASN 65 HA ASN 65 15.939 0.234 -0.192 544 1HB ASN 65 HB2 ASN 65 15.939 2.056 -2.608 545 2HB ASN 65 HB1 ASN 65 15.078 0.529 -2.429 546 1HD2 ASN 65 HD21 ASN 65 13.291 0.436 -0.993 547 2HD2 ASN 65 HD22 ASN 65 12.431 1.877 -0.570 548 H GLY 66 HN GLY 66 18.203 -0.338 0.350 549 1HA GLY 66 HA2 GLY 66 20.188 -0.193 -1.725 550 2HA GLY 66 HA1 GLY 66 20.318 -1.080 -0.212 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -13.865 15.319 -3.723 2 2H MET 1 HT2 MET 1 -14.655 13.861 -3.385 3 3H MET 1 HT3 MET 1 -15.155 14.814 -4.699 4 HA MET 1 HA MET 1 -13.905 12.961 -5.508 5 1HB MET 1 HB2 MET 1 -13.679 15.146 -6.649 6 2HB MET 1 HB1 MET 1 -12.306 15.531 -5.626 7 1HG MET 1 HG2 MET 1 -12.309 13.113 -7.399 8 2HG MET 1 HG1 MET 1 -11.865 14.704 -8.007 9 1HE MET 1 HE1 MET 1 -9.713 16.065 -7.192 10 2HE MET 1 HE2 MET 1 -8.707 15.549 -5.839 11 3HE MET 1 HE3 MET 1 -10.385 16.018 -5.562 12 H GLN 2 HN GLN 2 -12.055 14.934 -3.205 13 HA GLN 2 HA GLN 2 -9.783 13.291 -3.082 14 1HB GLN 2 HB2 GLN 2 -10.977 15.124 -1.003 15 2HB GLN 2 HB1 GLN 2 -9.393 14.377 -0.868 16 1HG GLN 2 HG2 GLN 2 -8.674 15.550 -2.889 17 2HG GLN 2 HG1 GLN 2 -10.262 16.311 -3.001 18 1HE2 GLN 2 HE21 GLN 2 -8.647 15.700 0.030 19 2HE2 GLN 2 HE22 GLN 2 -8.331 17.359 0.415 20 H HIS 3 HN HIS 3 -9.280 11.515 -1.956 21 HA HIS 3 HA HIS 3 -11.357 10.347 -0.243 22 1HB HIS 3 HB2 HIS 3 -10.432 9.023 -2.210 23 2HB HIS 3 HB1 HIS 3 -8.895 8.982 -1.357 24 HD1 HIS 3 HD1 HIS 3 -12.229 7.387 -1.496 25 HD2 HIS 3 HD2 HIS 3 -8.896 7.360 0.993 26 HE1 HIS 3 HE1 HIS 3 -12.498 5.373 -0.027 27 HE2 HIS 3 HE2 HIS 3 -10.599 5.510 1.613 28 H GLU 4 HN GLU 4 -11.055 10.972 1.805 29 HA GLU 4 HA GLU 4 -8.324 11.624 2.668 30 1HB GLU 4 HB2 GLU 4 -10.995 12.386 3.868 31 2HB GLU 4 HB1 GLU 4 -9.429 12.908 4.464 32 1HG GLU 4 HG2 GLU 4 -10.486 13.533 1.720 33 2HG GLU 4 HG1 GLU 4 -10.640 14.601 3.115 34 H LEU 5 HN LEU 5 -7.418 9.892 3.511 35 HA LEU 5 HA LEU 5 -8.853 8.473 5.632 36 1HB LEU 5 HB2 LEU 5 -7.408 6.458 4.917 37 2HB LEU 5 HB1 LEU 5 -8.860 6.830 4.016 38 HG LEU 5 HG LEU 5 -7.542 7.798 2.212 39 1HD1 LEU 5 HD11 LEU 5 -5.104 7.678 2.212 40 2HD1 LEU 5 HD12 LEU 5 -5.129 7.088 3.873 41 3HD1 LEU 5 HD13 LEU 5 -5.693 8.719 3.510 42 1HD2 LEU 5 HD21 LEU 5 -7.978 5.441 2.076 43 2HD2 LEU 5 HD22 LEU 5 -6.604 5.079 3.124 44 3HD2 LEU 5 HD23 LEU 5 -6.331 5.741 1.512 45 H GLN 6 HN GLN 6 -7.334 7.257 7.073 46 HA GLN 6 HA GLN 6 -4.794 8.690 7.429 47 1HB GLN 6 HB2 GLN 6 -5.159 8.583 9.871 48 2HB GLN 6 HB1 GLN 6 -6.404 9.515 9.065 49 1HG GLN 6 HG2 GLN 6 -7.851 7.478 9.147 50 2HG GLN 6 HG1 GLN 6 -6.621 6.735 10.171 51 1HE2 GLN 6 HE21 GLN 6 -5.972 9.338 11.394 52 2HE2 GLN 6 HE22 GLN 6 -7.265 9.687 12.497 53 HA PRO 7 HA PRO 7 -2.172 5.142 7.860 54 1HB PRO 7 HB2 PRO 7 -2.851 5.170 10.784 55 2HB PRO 7 HB1 PRO 7 -1.299 4.837 10.001 56 1HG PRO 7 HG2 PRO 7 -1.947 7.279 11.000 57 2HG PRO 7 HG1 PRO 7 -0.868 7.056 9.614 58 1HD PRO 7 HD2 PRO 7 -3.501 8.250 9.679 59 2HD PRO 7 HD1 PRO 7 -2.368 8.153 8.322 60 H ASP 8 HN ASP 8 -4.939 4.673 10.126 61 HA ASP 8 HA ASP 8 -5.155 1.955 9.030 62 1HB ASP 8 HB2 ASP 8 -5.080 2.215 11.512 63 2HB ASP 8 HB1 ASP 8 -6.585 3.126 11.425 64 H SER 9 HN SER 9 -6.277 2.005 7.225 65 HA SER 9 HA SER 9 -9.027 2.514 7.128 66 1HB SER 9 HB2 SER 9 -8.176 4.901 7.238 67 2HB SER 9 HB1 SER 9 -7.376 4.615 5.693 68 HG SER 9 HG SER 9 -9.994 5.141 6.233 69 H LEU 10 HN LEU 10 -9.695 2.551 4.673 70 HA LEU 10 HA LEU 10 -8.059 0.430 3.492 71 1HB LEU 10 HB2 LEU 10 -10.115 -0.271 2.307 72 2HB LEU 10 HB1 LEU 10 -10.227 -0.384 4.050 73 HG LEU 10 HG LEU 10 -11.305 2.063 2.715 74 1HD1 LEU 10 HD11 LEU 10 -12.199 0.256 1.366 75 2HD1 LEU 10 HD12 LEU 10 -13.461 0.916 2.409 76 3HD1 LEU 10 HD13 LEU 10 -12.687 -0.618 2.819 77 1HD2 LEU 10 HD21 LEU 10 -12.224 0.418 5.074 78 2HD2 LEU 10 HD22 LEU 10 -12.901 1.960 4.548 79 3HD2 LEU 10 HD23 LEU 10 -11.255 1.886 5.169 80 H VAL 11 HN VAL 11 -7.022 0.787 1.763 81 HA VAL 11 HA VAL 11 -7.697 3.023 -0.014 82 HB VAL 11 HB VAL 11 -5.431 2.847 -0.861 83 1HG1 VAL 11 HG11 VAL 11 -5.533 2.786 2.144 84 2HG1 VAL 11 HG12 VAL 11 -5.673 4.202 1.103 85 3HG1 VAL 11 HG13 VAL 11 -4.149 3.324 1.196 86 1HG2 VAL 11 HG21 VAL 11 -5.145 0.488 0.988 87 2HG2 VAL 11 HG22 VAL 11 -3.838 1.233 0.067 88 3HG2 VAL 11 HG23 VAL 11 -5.170 0.441 -0.775 89 H ASP 12 HN ASP 12 -7.248 2.575 -2.361 90 HA ASP 12 HA ASP 12 -8.203 -0.114 -3.053 91 1HB ASP 12 HB2 ASP 12 -9.851 1.571 -3.621 92 2HB ASP 12 HB1 ASP 12 -8.638 2.541 -4.447 93 H LEU 13 HN LEU 13 -7.508 -0.876 -5.263 94 HA LEU 13 HA LEU 13 -4.742 -1.068 -5.421 95 1HB LEU 13 HB2 LEU 13 -6.310 -2.649 -6.454 96 2HB LEU 13 HB1 LEU 13 -6.764 -1.427 -7.626 97 HG LEU 13 HG LEU 13 -4.425 -1.438 -8.480 98 1HD1 LEU 13 HD11 LEU 13 -2.939 -3.264 -7.844 99 2HD1 LEU 13 HD12 LEU 13 -4.109 -3.805 -6.642 100 3HD1 LEU 13 HD13 LEU 13 -3.317 -2.242 -6.458 101 1HD2 LEU 13 HD21 LEU 13 -5.851 -4.096 -8.503 102 2HD2 LEU 13 HD22 LEU 13 -4.609 -3.589 -9.644 103 3HD2 LEU 13 HD23 LEU 13 -6.154 -2.742 -9.591 104 H LYS 14 HN LYS 14 -6.931 0.924 -7.419 105 HA LYS 14 HA LYS 14 -4.910 2.108 -8.996 106 1HB LYS 14 HB2 LYS 14 -7.310 2.111 -9.591 107 2HB LYS 14 HB1 LYS 14 -7.632 3.188 -8.239 108 1HG LYS 14 HG2 LYS 14 -6.268 4.920 -9.281 109 2HG LYS 14 HG1 LYS 14 -5.923 3.837 -10.633 110 1HD LYS 14 HD2 LYS 14 -8.279 3.763 -11.209 111 2HD LYS 14 HD1 LYS 14 -8.670 4.763 -9.809 112 1HE LYS 14 HE2 LYS 14 -8.662 6.130 -11.800 113 2HE LYS 14 HE1 LYS 14 -7.314 6.587 -10.762 114 1HZ LYS 14 HZ1 LYS 14 -5.832 5.298 -12.165 115 2HZ LYS 14 HZ2 LYS 14 -6.657 6.462 -13.085 116 3HZ LYS 14 HZ3 LYS 14 -7.130 4.832 -13.156 117 H PHE 15 HN PHE 15 -6.308 2.850 -5.908 118 HA PHE 15 HA PHE 15 -5.202 5.404 -5.511 119 1HB PHE 15 HB2 PHE 15 -7.032 4.202 -4.174 120 2HB PHE 15 HB1 PHE 15 -5.716 3.400 -3.325 121 HD1 PHE 15 HD1 PHE 15 -6.928 6.803 -4.222 122 HD2 PHE 15 HD2 PHE 15 -4.779 4.380 -1.461 123 HE1 PHE 15 HE1 PHE 15 -6.722 8.726 -2.703 124 HE2 PHE 15 HE2 PHE 15 -4.569 6.300 0.067 125 HZ PHE 15 HZ PHE 15 -5.541 8.479 -0.553 126 H ILE 16 HN ILE 16 -4.033 2.155 -4.530 127 HA ILE 16 HA ILE 16 -1.616 2.872 -3.406 128 HB ILE 16 HB ILE 16 -1.741 0.538 -5.294 129 1HG1 ILE 16 HG12 ILE 16 -2.814 0.595 -2.459 130 2HG1 ILE 16 HG11 ILE 16 -3.798 0.458 -3.912 131 1HG2 ILE 16 HG21 ILE 16 0.396 1.012 -4.320 132 2HG2 ILE 16 HG22 ILE 16 -0.261 -0.424 -3.536 133 3HG2 ILE 16 HG23 ILE 16 -0.313 1.131 -2.710 134 1HD1 ILE 16 HD11 ILE 16 -1.740 -1.537 -2.982 135 2HD1 ILE 16 HD12 ILE 16 -2.731 -1.676 -4.436 136 3HD1 ILE 16 HD13 ILE 16 -3.490 -1.703 -2.843 137 H MET 17 HN MET 17 -2.422 2.413 -6.811 138 HA MET 17 HA MET 17 0.145 2.822 -7.869 139 1HB MET 17 HB2 MET 17 -2.549 3.397 -9.116 140 2HB MET 17 HB1 MET 17 -1.025 3.313 -9.992 141 1HG MET 17 HG2 MET 17 -0.782 0.975 -9.388 142 2HG MET 17 HG1 MET 17 -2.275 1.048 -8.451 143 1HE MET 17 HE1 MET 17 -1.688 -1.132 -10.717 144 2HE MET 17 HE2 MET 17 -3.251 -1.176 -11.533 145 3HE MET 17 HE3 MET 17 -3.178 -1.079 -9.772 146 H ALA 18 HN ALA 18 -2.342 5.052 -6.852 147 HA ALA 18 HA ALA 18 -1.092 7.411 -7.854 148 1HB ALA 18 HB1 ALA 18 -3.087 7.103 -5.610 149 2HB ALA 18 HB2 ALA 18 -3.477 7.351 -7.313 150 3HB ALA 18 HB3 ALA 18 -2.644 8.614 -6.407 151 H ASP 19 HN ASP 19 -1.109 5.745 -4.727 152 HA ASP 19 HA ASP 19 0.538 7.561 -3.327 153 1HB ASP 19 HB2 ASP 19 0.016 4.612 -2.909 154 2HB ASP 19 HB1 ASP 19 1.033 5.562 -1.832 155 H THR 20 HN THR 20 1.264 4.999 -5.552 156 HA THR 20 HA THR 20 4.062 4.947 -4.703 157 HB THR 20 HB THR 20 4.221 2.935 -6.190 158 HG1 THR 20 HG1 THR 20 1.398 2.907 -6.270 159 1HG2 THR 20 HG21 THR 20 3.780 2.682 -3.793 160 2HG2 THR 20 HG22 THR 20 2.937 1.446 -4.725 161 3HG2 THR 20 HG23 THR 20 2.048 2.831 -4.090 162 H GLY 21 HN GLY 21 2.118 5.339 -7.644 163 1HA GLY 21 HA2 GLY 21 2.662 6.533 -9.570 164 2HA GLY 21 HA1 GLY 21 4.270 6.822 -8.911 165 H PHE 22 HN PHE 22 3.259 3.617 -8.645 166 HA PHE 22 HA PHE 22 4.811 2.854 -11.029 167 1HB PHE 22 HB2 PHE 22 5.009 1.616 -8.274 168 2HB PHE 22 HB1 PHE 22 5.821 1.020 -9.722 169 HD1 PHE 22 HD1 PHE 22 6.075 3.148 -6.904 170 HD2 PHE 22 HD2 PHE 22 7.402 2.665 -10.916 171 HE1 PHE 22 HE1 PHE 22 7.984 4.631 -6.449 172 HE2 PHE 22 HE2 PHE 22 9.310 4.147 -10.469 173 HZ PHE 22 HZ PHE 22 9.598 5.131 -8.199 174 H GLY 23 HN GLY 23 4.644 0.208 -11.036 175 1HA GLY 23 HA2 GLY 23 1.781 -0.211 -11.456 176 2HA GLY 23 HA1 GLY 23 3.080 -1.179 -12.134 177 H LYS 24 HN LYS 24 1.074 -2.540 -11.185 178 HA LYS 24 HA LYS 24 0.733 -3.117 -8.539 179 1HB LYS 24 HB2 LYS 24 0.023 -5.391 -9.258 180 2HB LYS 24 HB1 LYS 24 -0.713 -4.085 -10.175 181 1HG LYS 24 HG2 LYS 24 0.733 -4.498 -12.039 182 2HG LYS 24 HG1 LYS 24 1.666 -5.676 -11.111 183 1HD LYS 24 HD2 LYS 24 -0.331 -7.096 -10.937 184 2HD LYS 24 HD1 LYS 24 -1.242 -5.924 -11.891 185 1HE LYS 24 HE2 LYS 24 0.164 -6.308 -13.801 186 2HE LYS 24 HE1 LYS 24 1.239 -7.338 -12.858 187 1HZ LYS 24 HZ1 LYS 24 -0.253 -8.662 -14.210 188 2HZ LYS 24 HZ2 LYS 24 -1.605 -7.922 -13.505 189 3HZ LYS 24 HZ3 LYS 24 -0.588 -8.904 -12.565 190 H THR 25 HN THR 25 3.292 -4.423 -10.629 191 HA THR 25 HA THR 25 4.145 -6.463 -8.928 192 HB THR 25 HB THR 25 4.925 -6.476 -11.176 193 HG1 THR 25 HG1 THR 25 6.638 -7.403 -10.385 194 1HG2 THR 25 HG21 THR 25 6.346 -3.878 -10.584 195 2HG2 THR 25 HG22 THR 25 4.938 -4.080 -11.627 196 3HG2 THR 25 HG23 THR 25 6.480 -4.807 -12.077 197 H PHE 26 HN PHE 26 5.261 -3.092 -9.118 198 HA PHE 26 HA PHE 26 7.253 -3.254 -7.159 199 1HB PHE 26 HB2 PHE 26 7.310 -1.343 -8.515 200 2HB PHE 26 HB1 PHE 26 5.590 -1.036 -8.317 201 HD1 PHE 26 HD1 PHE 26 4.752 0.149 -6.427 202 HD2 PHE 26 HD2 PHE 26 8.902 -0.667 -6.806 203 HE1 PHE 26 HE1 PHE 26 5.226 1.790 -4.668 204 HE2 PHE 26 HE2 PHE 26 9.390 0.975 -5.030 205 HZ PHE 26 HZ PHE 26 7.548 2.205 -3.953 206 H ILE 27 HN ILE 27 3.808 -2.563 -7.012 207 HA ILE 27 HA ILE 27 3.620 -1.736 -4.357 208 HB ILE 27 HB ILE 27 1.583 -3.221 -6.016 209 1HG1 ILE 27 HG12 ILE 27 1.845 -0.251 -5.509 210 2HG1 ILE 27 HG11 ILE 27 2.462 -1.057 -6.947 211 1HG2 ILE 27 HG21 ILE 27 1.261 -1.642 -3.468 212 2HG2 ILE 27 HG22 ILE 27 0.992 -3.370 -3.691 213 3HG2 ILE 27 HG23 ILE 27 -0.071 -2.204 -4.479 214 1HD1 ILE 27 HD11 ILE 27 0.167 -1.786 -7.471 215 2HD1 ILE 27 HD12 ILE 27 0.355 -0.031 -7.437 216 3HD1 ILE 27 HD13 ILE 27 -0.411 -0.862 -6.083 217 H TYR 28 HN TYR 28 2.771 -4.953 -5.635 218 HA TYR 28 HA TYR 28 2.244 -6.044 -3.115 219 1HB TYR 28 HB2 TYR 28 2.937 -7.348 -5.752 220 2HB TYR 28 HB1 TYR 28 2.510 -8.274 -4.318 221 HD1 TYR 28 HD1 TYR 28 1.163 -5.309 -6.160 222 HD2 TYR 28 HD2 TYR 28 0.312 -9.023 -4.257 223 HE1 TYR 28 HE1 TYR 28 -1.214 -5.056 -6.733 224 HE2 TYR 28 HE2 TYR 28 -2.064 -8.773 -4.824 225 HH TYR 28 HH TYR 28 -3.187 -6.533 -7.066 226 H ASP 29 HN ASP 29 5.237 -6.006 -5.005 227 HA ASP 29 HA ASP 29 6.645 -7.720 -3.214 228 1HB ASP 29 HB2 ASP 29 7.465 -7.491 -5.455 229 2HB ASP 29 HB1 ASP 29 7.624 -5.746 -5.279 230 H ARG 30 HN ARG 30 6.678 -4.183 -3.669 231 HA ARG 30 HA ARG 30 8.569 -3.693 -1.633 232 1HB ARG 30 HB2 ARG 30 8.042 -2.123 -3.479 233 2HB ARG 30 HB1 ARG 30 6.513 -1.762 -2.681 234 1HG ARG 30 HG2 ARG 30 7.504 -0.283 -1.384 235 2HG ARG 30 HG1 ARG 30 8.627 -1.508 -0.791 236 1HD ARG 30 HD2 ARG 30 8.934 0.209 -3.240 237 2HD ARG 30 HD1 ARG 30 9.863 0.311 -1.747 238 HE ARG 30 HE ARG 30 10.304 -2.214 -2.590 239 1HH1 ARG 30 HH11 ARG 30 10.681 0.925 -4.082 240 2HH1 ARG 30 HH12 ARG 30 11.901 0.395 -5.197 241 1HH2 ARG 30 HH21 ARG 30 11.889 -2.938 -4.086 242 2HH2 ARG 30 HH22 ARG 30 12.586 -1.792 -5.204 243 H ILE 31 HN ILE 31 5.013 -3.663 -1.601 244 HA ILE 31 HA ILE 31 4.836 -2.638 1.042 245 HB ILE 31 HB ILE 31 2.833 -4.005 -0.747 246 1HG1 ILE 31 HG12 ILE 31 1.631 -1.825 -0.385 247 2HG1 ILE 31 HG11 ILE 31 3.018 -1.260 0.543 248 1HG2 ILE 31 HG21 ILE 31 1.123 -3.748 0.958 249 2HG2 ILE 31 HG22 ILE 31 2.324 -3.144 2.100 250 3HG2 ILE 31 HG23 ILE 31 2.404 -4.816 1.536 251 1HD1 ILE 31 HD11 ILE 31 4.418 -1.456 -1.430 252 2HD1 ILE 31 HD12 ILE 31 3.039 -0.393 -1.716 253 3HD1 ILE 31 HD13 ILE 31 3.036 -2.035 -2.360 254 H LYS 32 HN LYS 32 4.854 -5.971 -0.262 255 HA LYS 32 HA LYS 32 4.671 -7.329 2.180 256 1HB LYS 32 HB2 LYS 32 6.191 -7.980 -0.331 257 2HB LYS 32 HB1 LYS 32 6.209 -9.044 1.066 258 1HG LYS 32 HG2 LYS 32 3.724 -9.166 0.917 259 2HG LYS 32 HG1 LYS 32 3.831 -8.260 -0.597 260 1HD LYS 32 HD2 LYS 32 5.304 -10.012 -1.511 261 2HD LYS 32 HD1 LYS 32 5.126 -10.917 -0.008 262 1HE LYS 32 HE2 LYS 32 3.644 -11.827 -1.681 263 2HE LYS 32 HE1 LYS 32 2.700 -11.055 -0.407 264 1HZ LYS 32 HZ1 LYS 32 1.854 -10.509 -2.599 265 2HZ LYS 32 HZ2 LYS 32 3.348 -9.861 -3.051 266 3HZ LYS 32 HZ3 LYS 32 2.432 -9.120 -1.826 267 H SER 33 HN SER 33 7.473 -5.958 0.541 268 HA SER 33 HA SER 33 9.431 -6.775 2.398 269 1HB SER 33 HB2 SER 33 9.954 -6.076 0.096 270 2HB SER 33 HB1 SER 33 9.432 -4.435 0.475 271 HG SER 33 HG SER 33 11.498 -5.728 1.931 272 H GLY 34 HN GLY 34 7.235 -4.070 2.323 273 1HA GLY 34 HA2 GLY 34 8.530 -2.338 4.103 274 2HA GLY 34 HA1 GLY 34 6.794 -2.407 3.836 275 H ASP 35 HN ASP 35 5.655 -4.232 4.971 276 HA ASP 35 HA ASP 35 6.930 -5.341 7.300 277 1HB ASP 35 HB2 ASP 35 6.391 -2.955 7.960 278 2HB ASP 35 HB1 ASP 35 4.691 -3.368 7.786 279 H LEU 36 HN LEU 36 5.350 -6.087 4.920 280 HA LEU 36 HA LEU 36 3.776 -7.591 4.288 281 1HB LEU 36 HB2 LEU 36 3.458 -8.188 7.226 282 2HB LEU 36 HB1 LEU 36 2.888 -9.177 5.898 283 HG LEU 36 HG LEU 36 5.770 -8.637 6.608 284 1HD1 LEU 36 HD11 LEU 36 4.685 -10.168 8.144 285 2HD1 LEU 36 HD12 LEU 36 5.826 -11.032 7.114 286 3HD1 LEU 36 HD13 LEU 36 4.096 -11.134 6.792 287 1HD2 LEU 36 HD21 LEU 36 6.298 -10.272 4.846 288 2HD2 LEU 36 HD22 LEU 36 5.534 -8.820 4.200 289 3HD2 LEU 36 HD23 LEU 36 4.596 -10.303 4.382 290 HA PRO 37 HA PRO 37 0.258 -4.912 4.380 291 1HB PRO 37 HB2 PRO 37 -1.140 -7.169 3.073 292 2HB PRO 37 HB1 PRO 37 -0.900 -5.514 2.509 293 1HG PRO 37 HG2 PRO 37 0.438 -7.567 1.435 294 2HG PRO 37 HG1 PRO 37 1.183 -5.972 1.639 295 1HD PRO 37 HD2 PRO 37 1.551 -8.456 3.251 296 2HD PRO 37 HD1 PRO 37 2.739 -7.222 2.780 297 H LYS 38 HN LYS 38 -1.091 -4.555 5.997 298 HA LYS 38 HA LYS 38 -2.190 -6.792 7.494 299 1HB LYS 38 HB2 LYS 38 -2.486 -3.821 7.971 300 2HB LYS 38 HB1 LYS 38 -3.129 -5.076 9.016 301 1HG LYS 38 HG2 LYS 38 -1.159 -4.323 10.058 302 2HG LYS 38 HG1 LYS 38 -0.730 -5.863 9.306 303 1HD LYS 38 HD2 LYS 38 0.248 -4.714 7.431 304 2HD LYS 38 HD1 LYS 38 -0.243 -3.151 8.091 305 1HE LYS 38 HE2 LYS 38 2.054 -3.383 8.593 306 2HE LYS 38 HE1 LYS 38 1.192 -3.689 10.099 307 1HZ LYS 38 HZ1 LYS 38 2.133 -5.836 8.281 308 2HZ LYS 38 HZ2 LYS 38 1.544 -6.008 9.865 309 3HZ LYS 38 HZ3 LYS 38 3.038 -5.256 9.592 310 H ALA 39 HN ALA 39 -2.881 -4.985 4.839 311 HA ALA 39 HA ALA 39 -5.447 -4.375 4.532 312 1HB ALA 39 HB1 ALA 39 -5.286 -5.076 2.230 313 2HB ALA 39 HB2 ALA 39 -3.926 -6.131 2.621 314 3HB ALA 39 HB3 ALA 39 -3.755 -4.381 2.760 315 H LYS 40 HN LYS 40 -7.296 -5.481 3.541 316 HA LYS 40 HA LYS 40 -7.735 -8.005 4.968 317 1HB LYS 40 HB2 LYS 40 -9.640 -5.840 4.071 318 2HB LYS 40 HB1 LYS 40 -10.195 -7.417 4.609 319 1HG LYS 40 HG2 LYS 40 -10.374 -5.886 6.430 320 2HG LYS 40 HG1 LYS 40 -9.069 -7.016 6.785 321 1HD LYS 40 HD2 LYS 40 -7.434 -5.317 6.037 322 2HD LYS 40 HD1 LYS 40 -8.764 -4.188 5.766 323 1HE LYS 40 HE2 LYS 40 -8.122 -5.472 8.415 324 2HE LYS 40 HE1 LYS 40 -7.590 -3.863 7.930 325 1HZ LYS 40 HZ1 LYS 40 -9.677 -4.027 9.334 326 2HZ LYS 40 HZ2 LYS 40 -10.452 -4.615 7.944 327 3HZ LYS 40 HZ3 LYS 40 -9.766 -3.065 7.939 328 H VAL 41 HN VAL 41 -6.776 -9.245 3.399 329 HA VAL 41 HA VAL 41 -7.856 -9.163 0.686 330 HB VAL 41 HB VAL 41 -5.492 -10.693 1.799 331 1HG1 VAL 41 HG11 VAL 41 -6.480 -11.729 -0.190 332 2HG1 VAL 41 HG12 VAL 41 -4.872 -11.080 -0.506 333 3HG1 VAL 41 HG13 VAL 41 -6.300 -10.205 -1.061 334 1HG2 VAL 41 HG21 VAL 41 -5.153 -8.275 1.893 335 2HG2 VAL 41 HG22 VAL 41 -5.545 -8.152 0.177 336 3HG2 VAL 41 HG23 VAL 41 -4.104 -9.028 0.693 337 H ILE 42 HN ILE 42 -9.709 -10.317 0.596 338 HA ILE 42 HA ILE 42 -9.748 -12.943 1.904 339 HB ILE 42 HB ILE 42 -11.496 -11.424 2.681 340 1HG1 ILE 42 HG12 ILE 42 -13.461 -12.886 2.269 341 2HG1 ILE 42 HG11 ILE 42 -12.562 -13.702 0.994 342 1HG2 ILE 42 HG21 ILE 42 -11.723 -10.048 0.683 343 2HG2 ILE 42 HG22 ILE 42 -13.285 -10.665 1.217 344 3HG2 ILE 42 HG23 ILE 42 -12.476 -11.397 -0.170 345 1HD1 ILE 42 HD11 ILE 42 -12.565 -14.988 3.055 346 2HD1 ILE 42 HD12 ILE 42 -11.815 -13.640 3.910 347 3HD1 ILE 42 HD13 ILE 42 -10.932 -14.474 2.629 348 H HIS 43 HN HIS 43 -9.798 -11.350 -1.140 349 HA HIS 43 HA HIS 43 -10.141 -13.954 -2.448 350 1HB HIS 43 HB2 HIS 43 -11.403 -11.371 -3.390 351 2HB HIS 43 HB1 HIS 43 -11.370 -12.866 -4.315 352 HD1 HIS 43 HD1 HIS 43 -13.615 -11.001 -2.423 353 HD2 HIS 43 HD2 HIS 43 -12.623 -15.038 -2.491 354 HE1 HIS 43 HE1 HIS 43 -15.578 -12.202 -1.400 355 HE2 HIS 43 HE2 HIS 43 -14.841 -14.608 -1.232 356 H GLY 44 HN GLY 44 -7.674 -13.042 -1.912 357 1HA GLY 44 HA2 GLY 44 -5.680 -12.958 -3.097 358 2HA GLY 44 HA1 GLY 44 -6.603 -12.744 -4.576 359 H ARG 45 HN ARG 45 -8.055 -10.442 -3.396 360 HA ARG 45 HA ARG 45 -5.936 -8.427 -3.211 361 1HB ARG 45 HB2 ARG 45 -8.144 -8.551 -5.248 362 2HB ARG 45 HB1 ARG 45 -7.421 -7.018 -4.785 363 1HG ARG 45 HG2 ARG 45 -5.326 -7.621 -5.658 364 2HG ARG 45 HG1 ARG 45 -5.778 -9.324 -5.772 365 1HD ARG 45 HD2 ARG 45 -5.747 -8.047 -7.942 366 2HD ARG 45 HD1 ARG 45 -7.234 -8.920 -7.582 367 HE ARG 45 HE ARG 45 -7.760 -6.451 -6.622 368 1HH1 ARG 45 HH11 ARG 45 -6.449 -7.549 -9.669 369 2HH1 ARG 45 HH12 ARG 45 -7.212 -6.302 -10.608 370 1HH2 ARG 45 HH21 ARG 45 -8.763 -4.786 -7.843 371 2HH2 ARG 45 HH22 ARG 45 -8.527 -4.728 -9.566 372 H ALA 46 HN ALA 46 -9.440 -8.264 -3.669 373 HA ALA 46 HA ALA 46 -11.073 -7.166 -2.584 374 1HB ALA 46 HB1 ALA 46 -10.702 -8.913 -0.911 375 2HB ALA 46 HB2 ALA 46 -11.235 -7.400 -0.179 376 3HB ALA 46 HB3 ALA 46 -9.539 -7.873 -0.087 377 H ARG 47 HN ARG 47 -9.085 -6.093 0.085 378 HA ARG 47 HA ARG 47 -8.833 -3.430 -1.121 379 1HB ARG 47 HB2 ARG 47 -10.345 -4.005 1.440 380 2HB ARG 47 HB1 ARG 47 -9.849 -2.399 0.924 381 1HG ARG 47 HG2 ARG 47 -11.275 -2.506 -0.997 382 2HG ARG 47 HG1 ARG 47 -11.660 -4.199 -0.678 383 1HD ARG 47 HD2 ARG 47 -12.365 -1.847 1.075 384 2HD ARG 47 HD1 ARG 47 -13.475 -2.749 0.044 385 HE ARG 47 HE ARG 47 -12.286 -4.587 1.744 386 1HH1 ARG 47 HH11 ARG 47 -14.409 -1.823 1.987 387 2HH1 ARG 47 HH12 ARG 47 -15.148 -2.356 3.468 388 1HH2 ARG 47 HH21 ARG 47 -13.271 -5.326 3.656 389 2HH2 ARG 47 HH22 ARG 47 -14.512 -4.365 4.409 390 H TRP 48 HN TRP 48 -7.300 -2.121 -0.105 391 HA TRP 48 HA TRP 48 -5.388 -3.676 1.506 392 1HB TRP 48 HB2 TRP 48 -5.040 -2.493 -0.951 393 2HB TRP 48 HB1 TRP 48 -4.413 -1.264 0.140 394 HD1 TRP 48 HD1 TRP 48 -2.413 -2.159 1.860 395 HE1 TRP 48 HE1 TRP 48 -0.522 -3.831 1.384 396 HE3 TRP 48 HE3 TRP 48 -4.396 -4.459 -2.238 397 HZ2 TRP 48 HZ2 TRP 48 0.063 -5.860 -0.500 398 HZ3 TRP 48 HZ3 TRP 48 -3.111 -6.250 -3.325 399 HH2 TRP 48 HH2 TRP 48 -0.926 -6.936 -2.475 400 H LEU 49 HN LEU 49 -4.171 -2.488 3.150 401 HA LEU 49 HA LEU 49 -5.726 -0.314 4.304 402 1HB LEU 49 HB2 LEU 49 -3.528 -2.064 5.369 403 2HB LEU 49 HB1 LEU 49 -4.123 -0.666 6.230 404 HG LEU 49 HG LEU 49 -5.643 -3.173 5.556 405 1HD1 LEU 49 HD11 LEU 49 -4.929 -1.850 8.163 406 2HD1 LEU 49 HD12 LEU 49 -4.196 -3.308 7.499 407 3HD1 LEU 49 HD13 LEU 49 -5.892 -3.317 7.980 408 1HD2 LEU 49 HD21 LEU 49 -7.074 -1.204 5.199 409 2HD2 LEU 49 HD22 LEU 49 -6.697 -0.654 6.832 410 3HD2 LEU 49 HD23 LEU 49 -7.584 -2.158 6.592 411 H TYR 50 HN TYR 50 -4.863 1.701 4.763 412 HA TYR 50 HA TYR 50 -2.912 2.661 2.958 413 1HB TYR 50 HB2 TYR 50 -4.756 4.031 3.985 414 2HB TYR 50 HB1 TYR 50 -3.839 4.038 5.489 415 HD1 TYR 50 HD1 TYR 50 -3.618 5.007 1.898 416 HD2 TYR 50 HD2 TYR 50 -2.184 5.637 5.856 417 HE1 TYR 50 HE1 TYR 50 -2.373 6.984 1.127 418 HE2 TYR 50 HE2 TYR 50 -0.942 7.617 5.097 419 HH TYR 50 HH TYR 50 -0.094 8.632 3.173 420 H ARG 51 HN ARG 51 -2.787 1.843 6.392 421 HA ARG 51 HA ARG 51 -0.264 2.592 7.103 422 1HB ARG 51 HB2 ARG 51 -0.257 0.790 8.715 423 2HB ARG 51 HB1 ARG 51 -1.856 1.516 8.622 424 1HG ARG 51 HG2 ARG 51 -2.716 -0.308 7.402 425 2HG ARG 51 HG1 ARG 51 -1.098 -0.959 7.115 426 1HD ARG 51 HD2 ARG 51 -2.064 -2.277 8.820 427 2HD ARG 51 HD1 ARG 51 -0.893 -1.225 9.607 428 HE ARG 51 HE ARG 51 -3.816 -0.841 9.672 429 1HH1 ARG 51 HH11 ARG 51 -0.638 -0.336 11.047 430 2HH1 ARG 51 HH12 ARG 51 -1.252 0.275 12.559 431 1HH2 ARG 51 HH21 ARG 51 -4.631 -0.059 11.656 432 2HH2 ARG 51 HH22 ARG 51 -3.517 0.411 12.910 433 H ASP 52 HN ASP 52 -1.139 -0.253 5.198 434 HA ASP 52 HA ASP 52 1.362 -1.478 5.082 435 1HB ASP 52 HB2 ASP 52 -0.762 -1.420 2.925 436 2HB ASP 52 HB1 ASP 52 0.544 -2.594 3.061 437 H HIS 53 HN HIS 53 0.038 1.232 3.364 438 HA HIS 53 HA HIS 53 2.219 1.416 1.490 439 1HB HIS 53 HB2 HIS 53 0.137 3.496 2.256 440 2HB HIS 53 HB1 HIS 53 1.254 3.620 0.903 441 HD1 HIS 53 HD1 HIS 53 -1.271 3.930 -0.276 442 HD2 HIS 53 HD2 HIS 53 -0.071 0.110 0.894 443 HE1 HIS 53 HE1 HIS 53 -2.768 2.334 -1.510 444 HE2 HIS 53 HE2 HIS 53 -2.122 0.047 -0.669 445 H CYS 54 HN CYS 54 1.278 2.848 4.563 446 HA CYS 54 HA CYS 54 3.340 4.712 4.838 447 1HB CYS 54 HB2 CYS 54 2.056 3.052 7.022 448 2HB CYS 54 HB1 CYS 54 2.939 4.558 7.246 449 HG CYS 54 HG CYS 54 1.074 6.166 6.005 450 H GLU 55 HN GLU 55 3.206 1.265 5.706 451 HA GLU 55 HA GLU 55 5.779 1.160 6.845 452 1HB GLU 55 HB2 GLU 55 4.120 -1.048 5.634 453 2HB GLU 55 HB1 GLU 55 5.582 -1.289 6.582 454 1HG GLU 55 HG2 GLU 55 3.022 -0.042 7.555 455 2HG GLU 55 HG1 GLU 55 3.599 -1.667 7.920 456 H PHE 56 HN PHE 56 4.641 0.410 3.540 457 HA PHE 56 HA PHE 56 7.162 -0.497 2.679 458 1HB PHE 56 HB2 PHE 56 6.227 -0.820 0.620 459 2HB PHE 56 HB1 PHE 56 4.740 -0.610 1.533 460 HD1 PHE 56 HD1 PHE 56 7.200 1.322 -0.466 461 HD2 PHE 56 HD2 PHE 56 3.152 0.921 0.768 462 HE1 PHE 56 HE1 PHE 56 6.556 3.151 -1.976 463 HE2 PHE 56 HE2 PHE 56 2.504 2.741 -0.733 464 HZ PHE 56 HZ PHE 56 4.103 3.784 -2.156 465 H LYS 57 HN LYS 57 5.621 2.669 2.392 466 HA LYS 57 HA LYS 57 7.755 4.044 1.221 467 1HB LYS 57 HB2 LYS 57 5.540 4.903 3.052 468 2HB LYS 57 HB1 LYS 57 6.736 6.045 2.451 469 1HG LYS 57 HG2 LYS 57 5.282 4.304 0.531 470 2HG LYS 57 HG1 LYS 57 4.474 5.718 1.213 471 1HD LYS 57 HD2 LYS 57 5.464 6.419 -0.819 472 2HD LYS 57 HD1 LYS 57 6.468 7.061 0.475 473 1HE LYS 57 HE2 LYS 57 8.068 5.259 0.122 474 2HE LYS 57 HE1 LYS 57 7.056 4.609 -1.166 475 1HZ LYS 57 HZ1 LYS 57 7.342 7.051 -2.076 476 2HZ LYS 57 HZ2 LYS 57 8.491 5.846 -2.392 477 3HZ LYS 57 HZ3 LYS 57 8.773 6.977 -1.161 478 H ASN 58 HN ASN 58 7.119 3.124 4.489 479 HA ASN 58 HA ASN 58 8.990 4.687 5.838 480 1HB ASN 58 HB2 ASN 58 7.292 3.583 7.057 481 2HB ASN 58 HB1 ASN 58 7.710 2.013 6.370 482 1HD2 ASN 58 HD21 ASN 58 9.071 0.748 7.430 483 2HD2 ASN 58 HD22 ASN 58 9.919 1.177 8.877 484 H LYS 59 HN LYS 59 9.328 1.473 4.334 485 HA LYS 59 HA LYS 59 12.049 1.176 5.154 486 1HB LYS 59 HB2 LYS 59 11.540 -0.917 4.575 487 2HB LYS 59 HB1 LYS 59 10.038 -0.376 3.844 488 1HG LYS 59 HG2 LYS 59 11.829 0.282 1.922 489 2HG LYS 59 HG1 LYS 59 12.560 -1.173 2.604 490 1HD LYS 59 HD2 LYS 59 10.444 -2.362 2.312 491 2HD LYS 59 HD1 LYS 59 9.726 -0.901 1.624 492 1HE LYS 59 HE2 LYS 59 10.412 -2.450 -0.131 493 2HE LYS 59 HE1 LYS 59 11.354 -0.959 -0.198 494 1HZ LYS 59 HZ1 LYS 59 12.265 -3.510 1.048 495 2HZ LYS 59 HZ2 LYS 59 13.180 -2.086 0.903 496 3HZ LYS 59 HZ3 LYS 59 12.736 -2.951 -0.483 497 H LEU 60 HN LEU 60 10.379 2.367 2.303 498 HA LEU 60 HA LEU 60 12.684 2.856 0.710 499 1HB LEU 60 HB2 LEU 60 9.857 3.859 0.678 500 2HB LEU 60 HB1 LEU 60 11.054 4.529 -0.411 501 HG LEU 60 HG LEU 60 10.357 1.585 -0.320 502 1HD1 LEU 60 HD11 LEU 60 9.338 3.777 -2.117 503 2HD1 LEU 60 HD12 LEU 60 8.396 2.834 -0.958 504 3HD1 LEU 60 HD13 LEU 60 9.094 2.051 -2.372 505 1HD2 LEU 60 HD21 LEU 60 12.552 2.084 -1.230 506 2HD2 LEU 60 HD22 LEU 60 11.842 3.279 -2.318 507 3HD2 LEU 60 HD23 LEU 60 11.440 1.569 -2.506 508 H LEU 61 HN LEU 61 11.354 4.379 3.420 509 HA LEU 61 HA LEU 61 12.379 7.017 2.896 510 1HB LEU 61 HB2 LEU 61 10.329 6.684 4.180 511 2HB LEU 61 HB1 LEU 61 11.211 5.756 5.375 512 HG LEU 61 HG LEU 61 12.496 7.776 5.970 513 1HD1 LEU 61 HD11 LEU 61 12.360 8.955 3.846 514 2HD1 LEU 61 HD12 LEU 61 11.735 9.958 5.156 515 3HD1 LEU 61 HD13 LEU 61 10.619 9.155 4.052 516 1HD2 LEU 61 HD21 LEU 61 10.667 8.924 7.118 517 2HD2 LEU 61 HD22 LEU 61 10.503 7.170 7.226 518 3HD2 LEU 61 HD23 LEU 61 9.500 8.082 6.096 519 H SER 62 HN SER 62 13.198 4.299 5.024 520 HA SER 62 HA SER 62 15.405 5.674 6.225 521 1HB SER 62 HB2 SER 62 14.122 3.880 7.384 522 2HB SER 62 HB1 SER 62 14.783 2.708 6.246 523 HG SER 62 HG SER 62 16.062 2.665 8.063 524 H ARG 63 HN ARG 63 15.137 3.016 3.862 525 HA ARG 63 HA ARG 63 17.979 3.022 3.401 526 1HB ARG 63 HB2 ARG 63 15.657 1.466 2.352 527 2HB ARG 63 HB1 ARG 63 17.177 1.437 1.467 528 1HG ARG 63 HG2 ARG 63 18.329 0.640 3.473 529 2HG ARG 63 HG1 ARG 63 16.798 0.661 4.352 530 1HD ARG 63 HD2 ARG 63 16.014 -1.198 3.311 531 2HD ARG 63 HD1 ARG 63 16.862 -0.839 1.806 532 HE ARG 63 HE ARG 63 18.933 -1.508 3.197 533 1HH1 ARG 63 HH11 ARG 63 15.748 -2.935 3.556 534 2HH1 ARG 63 HH12 ARG 63 16.362 -4.512 3.955 535 1HH2 ARG 63 HH21 ARG 63 19.738 -3.587 3.739 536 2HH2 ARG 63 HH22 ARG 63 18.622 -4.882 4.079 537 H ALA 64 HN ALA 64 15.218 4.593 2.059 538 HA ALA 64 HA ALA 64 14.930 6.030 0.311 539 1HB ALA 64 HB1 ALA 64 16.638 7.751 0.129 540 2HB ALA 64 HB2 ALA 64 17.781 6.729 1.000 541 3HB ALA 64 HB3 ALA 64 16.343 7.342 1.819 542 H ASN 65 HN ASN 65 14.977 3.937 -1.009 543 HA ASN 65 HA ASN 65 17.165 4.069 -2.962 544 1HB ASN 65 HB2 ASN 65 16.510 1.690 -3.531 545 2HB ASN 65 HB1 ASN 65 17.224 1.923 -1.939 546 1HD2 ASN 65 HD21 ASN 65 14.458 0.942 -3.705 547 2HD2 ASN 65 HD22 ASN 65 13.495 0.453 -2.354 548 H GLY 66 HN GLY 66 15.940 5.874 -3.847 549 1HA GLY 66 HA2 GLY 66 14.084 4.894 -5.899 550 2HA GLY 66 HA1 GLY 66 13.590 6.254 -4.895 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -15.906 12.199 -4.995 2 2H MET 1 HT2 MET 1 -14.966 12.694 -3.675 3 3H MET 1 HT3 MET 1 -14.710 11.171 -4.371 4 HA MET 1 HA MET 1 -13.957 12.160 -6.406 5 1HB MET 1 HB2 MET 1 -13.697 14.535 -6.661 6 2HB MET 1 HB1 MET 1 -15.359 14.223 -6.184 7 1HG MET 1 HG2 MET 1 -14.776 14.833 -3.871 8 2HG MET 1 HG1 MET 1 -13.141 15.211 -4.407 9 1HE MET 1 HE1 MET 1 -13.193 17.638 -3.467 10 2HE MET 1 HE2 MET 1 -14.793 17.318 -2.796 11 3HE MET 1 HE3 MET 1 -14.508 18.779 -3.745 12 H GLN 2 HN GLN 2 -13.324 12.745 -3.034 13 HA GLN 2 HA GLN 2 -10.523 12.122 -3.458 14 1HB GLN 2 HB2 GLN 2 -10.635 14.590 -3.640 15 2HB GLN 2 HB1 GLN 2 -11.377 14.661 -2.048 16 1HG GLN 2 HG2 GLN 2 -9.378 13.821 -1.018 17 2HG GLN 2 HG1 GLN 2 -8.638 13.537 -2.592 18 1HE2 GLN 2 HE21 GLN 2 -6.895 14.850 -2.129 19 2HE2 GLN 2 HE22 GLN 2 -7.018 16.577 -2.078 20 H HIS 3 HN HIS 3 -9.673 11.007 -1.777 21 HA HIS 3 HA HIS 3 -11.307 10.805 0.664 22 1HB HIS 3 HB2 HIS 3 -11.680 8.806 -0.719 23 2HB HIS 3 HB1 HIS 3 -9.946 8.520 -0.784 24 HD1 HIS 3 HD1 HIS 3 -10.292 6.188 0.302 25 HD2 HIS 3 HD2 HIS 3 -11.473 9.379 2.700 26 HE1 HIS 3 HE1 HIS 3 -10.586 5.234 2.614 27 HE2 HIS 3 HE2 HIS 3 -11.425 7.151 4.022 28 H GLU 4 HN GLU 4 -10.156 11.736 2.175 29 HA GLU 4 HA GLU 4 -7.254 11.283 2.279 30 1HB GLU 4 HB2 GLU 4 -9.003 13.304 3.705 31 2HB GLU 4 HB1 GLU 4 -7.260 13.169 3.898 32 1HG GLU 4 HG2 GLU 4 -8.605 13.718 1.269 33 2HG GLU 4 HG1 GLU 4 -8.033 14.979 2.361 34 H LEU 5 HN LEU 5 -6.531 9.807 3.661 35 HA LEU 5 HA LEU 5 -8.246 9.088 5.938 36 1HB LEU 5 HB2 LEU 5 -7.852 6.712 5.520 37 2HB LEU 5 HB1 LEU 5 -8.718 7.474 4.201 38 HG LEU 5 HG LEU 5 -5.767 7.274 3.918 39 1HD1 LEU 5 HD11 LEU 5 -6.338 5.088 4.836 40 2HD1 LEU 5 HD12 LEU 5 -5.935 4.968 3.123 41 3HD1 LEU 5 HD13 LEU 5 -7.621 4.914 3.638 42 1HD2 LEU 5 HD21 LEU 5 -6.371 6.857 1.611 43 2HD2 LEU 5 HD22 LEU 5 -7.205 8.294 2.203 44 3HD2 LEU 5 HD23 LEU 5 -8.074 6.766 2.054 45 H GLN 6 HN GLN 6 -7.181 7.689 7.473 46 HA GLN 6 HA GLN 6 -4.399 8.484 7.919 47 1HB GLN 6 HB2 GLN 6 -4.870 8.052 10.275 48 2HB GLN 6 HB1 GLN 6 -6.006 9.207 9.602 49 1HG GLN 6 HG2 GLN 6 -7.622 7.326 9.320 50 2HG GLN 6 HG1 GLN 6 -6.494 6.313 10.227 51 1HE2 GLN 6 HE21 GLN 6 -5.966 6.946 12.360 52 2HE2 GLN 6 HE22 GLN 6 -7.108 7.826 13.321 53 HA PRO 7 HA PRO 7 -2.359 4.580 7.722 54 1HB PRO 7 HB2 PRO 7 -2.727 4.362 10.691 55 2HB PRO 7 HB1 PRO 7 -1.320 3.943 9.705 56 1HG PRO 7 HG2 PRO 7 -1.441 6.270 11.008 57 2HG PRO 7 HG1 PRO 7 -0.704 6.149 9.401 58 1HD PRO 7 HD2 PRO 7 -3.228 7.429 10.208 59 2HD PRO 7 HD1 PRO 7 -2.252 7.683 8.752 60 H ASP 8 HN ASP 8 -5.191 4.481 9.908 61 HA ASP 8 HA ASP 8 -5.664 1.747 8.952 62 1HB ASP 8 HB2 ASP 8 -5.650 2.184 11.440 63 2HB ASP 8 HB1 ASP 8 -7.110 3.144 11.209 64 H SER 9 HN SER 9 -6.689 1.856 7.099 65 HA SER 9 HA SER 9 -9.394 2.368 6.897 66 1HB SER 9 HB2 SER 9 -8.650 4.788 7.055 67 2HB SER 9 HB1 SER 9 -7.791 4.559 5.529 68 HG SER 9 HG SER 9 -10.587 4.431 6.017 69 H LEU 10 HN LEU 10 -9.914 2.580 4.351 70 HA LEU 10 HA LEU 10 -8.306 0.404 3.242 71 1HB LEU 10 HB2 LEU 10 -10.235 -0.331 2.018 72 2HB LEU 10 HB1 LEU 10 -10.660 -0.148 3.704 73 HG LEU 10 HG LEU 10 -11.328 1.955 1.643 74 1HD1 LEU 10 HD11 LEU 10 -12.338 -0.157 0.955 75 2HD1 LEU 10 HD12 LEU 10 -13.559 0.979 1.530 76 3HD1 LEU 10 HD13 LEU 10 -13.036 -0.353 2.563 77 1HD2 LEU 10 HD21 LEU 10 -13.162 2.395 3.352 78 2HD2 LEU 10 HD22 LEU 10 -11.529 2.864 3.803 79 3HD2 LEU 10 HD23 LEU 10 -12.229 1.383 4.456 80 H VAL 11 HN VAL 11 -6.956 0.948 1.754 81 HA VAL 11 HA VAL 11 -7.667 3.033 -0.193 82 HB VAL 11 HB VAL 11 -5.284 3.036 -0.827 83 1HG1 VAL 11 HG11 VAL 11 -5.757 3.406 2.121 84 2HG1 VAL 11 HG12 VAL 11 -6.034 4.603 0.856 85 3HG1 VAL 11 HG13 VAL 11 -4.395 4.058 1.211 86 1HG2 VAL 11 HG21 VAL 11 -4.760 0.722 -0.277 87 2HG2 VAL 11 HG22 VAL 11 -4.949 1.082 1.440 88 3HG2 VAL 11 HG23 VAL 11 -3.643 1.831 0.519 89 H ASP 12 HN ASP 12 -6.870 2.504 -2.476 90 HA ASP 12 HA ASP 12 -7.600 -0.286 -3.019 91 1HB ASP 12 HB2 ASP 12 -9.359 1.283 -3.693 92 2HB ASP 12 HB1 ASP 12 -8.202 2.172 -4.677 93 H LEU 13 HN LEU 13 -6.818 -1.125 -5.151 94 HA LEU 13 HA LEU 13 -4.037 -1.033 -5.325 95 1HB LEU 13 HB2 LEU 13 -6.163 -1.911 -7.251 96 2HB LEU 13 HB1 LEU 13 -4.470 -1.985 -7.684 97 HG LEU 13 HG LEU 13 -5.122 -4.161 -6.966 98 1HD1 LEU 13 HD11 LEU 13 -3.591 -2.804 -4.760 99 2HD1 LEU 13 HD12 LEU 13 -2.917 -3.476 -6.244 100 3HD1 LEU 13 HD13 LEU 13 -3.655 -4.541 -5.047 101 1HD2 LEU 13 HD21 LEU 13 -6.124 -4.650 -4.827 102 2HD2 LEU 13 HD22 LEU 13 -7.134 -3.501 -5.704 103 3HD2 LEU 13 HD23 LEU 13 -6.101 -2.943 -4.389 104 H LYS 14 HN LYS 14 -6.474 0.522 -7.380 105 HA LYS 14 HA LYS 14 -4.676 1.883 -9.074 106 1HB LYS 14 HB2 LYS 14 -7.090 1.518 -9.544 107 2HB LYS 14 HB1 LYS 14 -7.493 2.646 -8.259 108 1HG LYS 14 HG2 LYS 14 -6.417 4.452 -9.493 109 2HG LYS 14 HG1 LYS 14 -5.986 3.321 -10.780 110 1HD LYS 14 HD2 LYS 14 -8.395 2.844 -11.103 111 2HD LYS 14 HD1 LYS 14 -8.772 4.069 -9.892 112 1HE LYS 14 HE2 LYS 14 -7.282 4.565 -12.466 113 2HE LYS 14 HE1 LYS 14 -8.988 4.911 -12.201 114 1HZ LYS 14 HZ1 LYS 14 -7.549 6.866 -11.957 115 2HZ LYS 14 HZ2 LYS 14 -6.762 6.127 -10.648 116 3HZ LYS 14 HZ3 LYS 14 -8.408 6.520 -10.538 117 H PHE 15 HN PHE 15 -6.113 2.595 -5.988 118 HA PHE 15 HA PHE 15 -5.316 5.278 -5.736 119 1HB PHE 15 HB2 PHE 15 -6.986 3.979 -4.303 120 2HB PHE 15 HB1 PHE 15 -5.592 3.334 -3.449 121 HD1 PHE 15 HD1 PHE 15 -7.351 6.474 -4.296 122 HD2 PHE 15 HD2 PHE 15 -4.490 4.562 -1.798 123 HE1 PHE 15 HE1 PHE 15 -7.290 8.466 -2.854 124 HE2 PHE 15 HE2 PHE 15 -4.419 6.552 -0.349 125 HZ PHE 15 HZ PHE 15 -5.821 8.506 -0.874 126 H ILE 16 HN ILE 16 -3.723 2.239 -4.742 127 HA ILE 16 HA ILE 16 -1.424 3.289 -3.591 128 HB ILE 16 HB ILE 16 -1.366 0.848 -5.363 129 1HG1 ILE 16 HG12 ILE 16 -2.238 0.978 -2.464 130 2HG1 ILE 16 HG11 ILE 16 -3.346 0.788 -3.815 131 1HG2 ILE 16 HG21 ILE 16 0.122 1.642 -2.855 132 2HG2 ILE 16 HG22 ILE 16 0.774 1.631 -4.493 133 3HG2 ILE 16 HG23 ILE 16 0.318 0.115 -3.714 134 1HD1 ILE 16 HD11 ILE 16 -1.179 -1.137 -3.016 135 2HD1 ILE 16 HD12 ILE 16 -2.282 -1.338 -4.379 136 3HD1 ILE 16 HD13 ILE 16 -2.907 -1.327 -2.730 137 H MET 17 HN MET 17 -2.218 2.775 -6.992 138 HA MET 17 HA MET 17 0.272 3.560 -8.055 139 1HB MET 17 HB2 MET 17 -2.483 3.800 -9.275 140 2HB MET 17 HB1 MET 17 -0.970 3.980 -10.153 141 1HG MET 17 HG2 MET 17 -0.401 1.638 -9.465 142 2HG MET 17 HG1 MET 17 -2.043 1.494 -8.842 143 1HE MET 17 HE1 MET 17 -0.994 2.188 -13.280 144 2HE MET 17 HE2 MET 17 0.203 1.992 -11.999 145 3HE MET 17 HE3 MET 17 -0.814 3.432 -12.043 146 H ALA 18 HN ALA 18 -2.610 5.409 -7.175 147 HA ALA 18 HA ALA 18 -1.569 7.948 -7.946 148 1HB ALA 18 HB1 ALA 18 -3.405 8.886 -6.661 149 2HB ALA 18 HB2 ALA 18 -3.698 7.325 -5.894 150 3HB ALA 18 HB3 ALA 18 -3.978 7.524 -7.624 151 H ASP 19 HN ASP 19 -1.268 5.930 -5.158 152 HA ASP 19 HA ASP 19 -0.378 7.769 -3.228 153 1HB ASP 19 HB2 ASP 19 -1.115 5.384 -2.841 154 2HB ASP 19 HB1 ASP 19 0.424 4.858 -3.503 155 H THR 20 HN THR 20 1.331 5.905 -5.684 156 HA THR 20 HA THR 20 3.722 7.546 -5.165 157 HB THR 20 HB THR 20 5.035 5.524 -6.010 158 HG1 THR 20 HG1 THR 20 2.797 4.028 -5.129 159 1HG2 THR 20 HG21 THR 20 5.057 6.211 -3.670 160 2HG2 THR 20 HG22 THR 20 5.057 4.452 -3.807 161 3HG2 THR 20 HG23 THR 20 3.570 5.303 -3.383 162 H GLY 21 HN GLY 21 2.922 5.120 -7.573 163 1HA GLY 21 HA2 GLY 21 2.059 6.282 -9.763 164 2HA GLY 21 HA1 GLY 21 3.676 6.973 -9.711 165 H PHE 22 HN PHE 22 3.016 3.729 -8.593 166 HA PHE 22 HA PHE 22 4.530 2.711 -10.905 167 1HB PHE 22 HB2 PHE 22 4.592 1.704 -8.052 168 2HB PHE 22 HB1 PHE 22 5.475 1.008 -9.405 169 HD1 PHE 22 HD1 PHE 22 5.517 3.427 -6.785 170 HD2 PHE 22 HD2 PHE 22 7.204 2.461 -10.569 171 HE1 PHE 22 HE1 PHE 22 7.402 4.941 -6.330 172 HE2 PHE 22 HE2 PHE 22 9.093 3.971 -10.122 173 HZ PHE 22 HZ PHE 22 9.210 5.182 -7.964 174 H GLY 23 HN GLY 23 4.258 0.159 -10.903 175 1HA GLY 23 HA2 GLY 23 1.366 -0.233 -11.157 176 2HA GLY 23 HA1 GLY 23 2.611 -1.167 -11.973 177 H LYS 24 HN LYS 24 0.507 -2.384 -10.768 178 HA LYS 24 HA LYS 24 0.488 -3.150 -8.190 179 1HB LYS 24 HB2 LYS 24 -0.260 -5.453 -9.108 180 2HB LYS 24 HB1 LYS 24 -1.219 -4.020 -9.456 181 1HG LYS 24 HG2 LYS 24 -0.236 -3.866 -11.665 182 2HG LYS 24 HG1 LYS 24 0.803 -5.249 -11.318 183 1HD LYS 24 HD2 LYS 24 -1.064 -6.719 -11.192 184 2HD LYS 24 HD1 LYS 24 -2.202 -5.371 -11.243 185 1HE LYS 24 HE2 LYS 24 -1.996 -6.587 -13.396 186 2HE LYS 24 HE1 LYS 24 -1.604 -4.873 -13.510 187 1HZ LYS 24 HZ1 LYS 24 0.711 -5.378 -13.557 188 2HZ LYS 24 HZ2 LYS 24 -0.047 -6.361 -14.712 189 3HZ LYS 24 HZ3 LYS 24 0.433 -7.014 -13.223 190 H THR 25 HN THR 25 2.730 -4.557 -10.587 191 HA THR 25 HA THR 25 3.652 -6.644 -8.977 192 HB THR 25 HB THR 25 4.183 -6.606 -11.345 193 HG1 THR 25 HG1 THR 25 6.674 -6.374 -9.987 194 1HG2 THR 25 HG21 THR 25 4.500 -4.198 -11.646 195 2HG2 THR 25 HG22 THR 25 5.866 -5.112 -12.284 196 3HG2 THR 25 HG23 THR 25 6.010 -4.282 -10.734 197 H PHE 26 HN PHE 26 4.889 -3.316 -9.273 198 HA PHE 26 HA PHE 26 6.988 -3.566 -7.429 199 1HB PHE 26 HB2 PHE 26 7.090 -1.634 -8.734 200 2HB PHE 26 HB1 PHE 26 5.382 -1.274 -8.511 201 HD1 PHE 26 HD1 PHE 26 4.608 -0.076 -6.612 202 HD2 PHE 26 HD2 PHE 26 8.725 -1.046 -7.016 203 HE1 PHE 26 HE1 PHE 26 5.146 1.512 -4.815 204 HE2 PHE 26 HE2 PHE 26 9.280 0.546 -5.210 205 HZ PHE 26 HZ PHE 26 7.486 1.826 -4.113 206 H ILE 27 HN ILE 27 3.599 -2.687 -7.080 207 HA ILE 27 HA ILE 27 3.611 -1.823 -4.444 208 HB ILE 27 HB ILE 27 1.393 -3.327 -5.833 209 1HG1 ILE 27 HG12 ILE 27 1.910 -0.344 -5.698 210 2HG1 ILE 27 HG11 ILE 27 2.204 -1.354 -7.110 211 1HG2 ILE 27 HG21 ILE 27 -0.076 -2.115 -4.271 212 2HG2 ILE 27 HG22 ILE 27 1.350 -1.450 -3.472 213 3HG2 ILE 27 HG23 ILE 27 1.049 -3.187 -3.438 214 1HD1 ILE 27 HD11 ILE 27 -0.216 -1.908 -7.137 215 2HD1 ILE 27 HD12 ILE 27 0.136 -0.200 -7.406 216 3HD1 ILE 27 HD13 ILE 27 -0.449 -0.744 -5.834 217 H TYR 28 HN TYR 28 2.612 -5.043 -5.594 218 HA TYR 28 HA TYR 28 2.234 -6.097 -3.040 219 1HB TYR 28 HB2 TYR 28 2.768 -7.395 -5.709 220 2HB TYR 28 HB1 TYR 28 2.547 -8.355 -4.251 221 HD1 TYR 28 HD1 TYR 28 0.844 -5.458 -5.902 222 HD2 TYR 28 HD2 TYR 28 0.418 -9.237 -3.981 223 HE1 TYR 28 HE1 TYR 28 -1.588 -5.341 -6.223 224 HE2 TYR 28 HE2 TYR 28 -2.019 -9.127 -4.304 225 HH TYR 28 HH TYR 28 -3.494 -6.797 -6.336 226 H ASP 29 HN ASP 29 5.128 -6.192 -5.117 227 HA ASP 29 HA ASP 29 6.656 -7.805 -3.358 228 1HB ASP 29 HB2 ASP 29 7.327 -7.500 -5.673 229 2HB ASP 29 HB1 ASP 29 7.547 -5.773 -5.414 230 H ARG 30 HN ARG 30 6.492 -4.284 -3.767 231 HA ARG 30 HA ARG 30 8.504 -3.695 -1.874 232 1HB ARG 30 HB2 ARG 30 7.620 -2.194 -3.719 233 2HB ARG 30 HB1 ARG 30 6.255 -1.858 -2.663 234 1HG ARG 30 HG2 ARG 30 7.575 -0.110 -2.112 235 2HG ARG 30 HG1 ARG 30 8.186 -1.289 -0.949 236 1HD ARG 30 HD2 ARG 30 9.391 -0.629 -3.636 237 2HD ARG 30 HD1 ARG 30 10.012 -0.121 -2.069 238 HE ARG 30 HE ARG 30 10.562 -2.420 -1.617 239 1HH1 ARG 30 HH11 ARG 30 9.810 -1.632 -4.942 240 2HH1 ARG 30 HH12 ARG 30 10.500 -3.092 -5.582 241 1HH2 ARG 30 HH21 ARG 30 11.521 -4.314 -2.444 242 2HH2 ARG 30 HH22 ARG 30 11.472 -4.619 -4.153 243 H ILE 31 HN ILE 31 4.961 -3.797 -1.609 244 HA ILE 31 HA ILE 31 4.953 -2.682 1.012 245 HB ILE 31 HB ILE 31 2.808 -3.982 -0.653 246 1HG1 ILE 31 HG12 ILE 31 1.752 -1.719 -0.325 247 2HG1 ILE 31 HG11 ILE 31 3.209 -1.201 0.515 248 1HG2 ILE 31 HG21 ILE 31 1.201 -3.509 1.138 249 2HG2 ILE 31 HG22 ILE 31 2.525 -3.031 2.201 250 3HG2 ILE 31 HG23 ILE 31 2.401 -4.701 1.643 251 1HD1 ILE 31 HD11 ILE 31 4.495 -1.602 -1.535 252 2HD1 ILE 31 HD12 ILE 31 3.222 -0.400 -1.745 253 3HD1 ILE 31 HD13 ILE 31 3.002 -2.038 -2.366 254 H LYS 32 HN LYS 32 4.786 -6.027 -0.216 255 HA LYS 32 HA LYS 32 4.470 -7.338 2.240 256 1HB LYS 32 HB2 LYS 32 5.989 -8.143 -0.233 257 2HB LYS 32 HB1 LYS 32 5.818 -9.197 1.162 258 1HG LYS 32 HG2 LYS 32 3.392 -9.152 0.898 259 2HG LYS 32 HG1 LYS 32 3.571 -8.102 -0.514 260 1HD LYS 32 HD2 LYS 32 4.993 -9.865 -1.548 261 2HD LYS 32 HD1 LYS 32 4.604 -10.907 -0.182 262 1HE LYS 32 HE2 LYS 32 2.555 -9.700 -2.032 263 2HE LYS 32 HE1 LYS 32 3.225 -11.318 -2.219 264 1HZ LYS 32 HZ1 LYS 32 1.640 -10.322 0.085 265 2HZ LYS 32 HZ2 LYS 32 2.373 -11.845 0.013 266 3HZ LYS 32 HZ3 LYS 32 1.141 -11.445 -1.083 267 H SER 33 HN SER 33 7.335 -6.191 0.579 268 HA SER 33 HA SER 33 9.279 -7.024 2.411 269 1HB SER 33 HB2 SER 33 9.797 -6.278 0.139 270 2HB SER 33 HB1 SER 33 9.241 -4.653 0.542 271 HG SER 33 HG SER 33 11.623 -5.930 1.160 272 H GLY 34 HN GLY 34 7.088 -4.314 2.411 273 1HA GLY 34 HA2 GLY 34 8.393 -2.601 4.212 274 2HA GLY 34 HA1 GLY 34 6.653 -2.674 3.955 275 H ASP 35 HN ASP 35 5.483 -4.427 5.085 276 HA ASP 35 HA ASP 35 6.685 -5.895 7.176 277 1HB ASP 35 HB2 ASP 35 6.957 -3.690 8.239 278 2HB ASP 35 HB1 ASP 35 5.216 -3.431 8.139 279 H LEU 36 HN LEU 36 5.235 -7.154 5.692 280 HA LEU 36 HA LEU 36 3.414 -8.502 5.442 281 1HB LEU 36 HB2 LEU 36 3.270 -7.984 8.407 282 2HB LEU 36 HB1 LEU 36 2.382 -9.248 7.577 283 HG LEU 36 HG LEU 36 5.394 -9.054 7.676 284 1HD1 LEU 36 HD11 LEU 36 5.279 -10.914 9.233 285 2HD1 LEU 36 HD12 LEU 36 3.518 -10.850 9.204 286 3HD1 LEU 36 HD13 LEU 36 4.439 -9.505 9.877 287 1HD2 LEU 36 HD21 LEU 36 5.307 -11.341 6.803 288 2HD2 LEU 36 HD22 LEU 36 4.575 -10.188 5.689 289 3HD2 LEU 36 HD23 LEU 36 3.551 -11.224 6.682 290 HA PRO 37 HA PRO 37 0.475 -5.047 4.674 291 1HB PRO 37 HB2 PRO 37 -0.647 -7.363 3.153 292 2HB PRO 37 HB1 PRO 37 -0.488 -5.671 2.667 293 1HG PRO 37 HG2 PRO 37 1.211 -7.512 1.766 294 2HG PRO 37 HG1 PRO 37 1.768 -5.882 2.189 295 1HD PRO 37 HD2 PRO 37 2.147 -8.447 3.639 296 2HD PRO 37 HD1 PRO 37 3.186 -7.008 3.587 297 H LYS 38 HN LYS 38 -0.964 -4.610 6.215 298 HA LYS 38 HA LYS 38 -2.419 -6.729 7.528 299 1HB LYS 38 HB2 LYS 38 -2.509 -3.736 7.897 300 2HB LYS 38 HB1 LYS 38 -3.479 -4.864 8.832 301 1HG LYS 38 HG2 LYS 38 -1.660 -4.370 10.200 302 2HG LYS 38 HG1 LYS 38 -1.265 -5.943 9.504 303 1HD LYS 38 HD2 LYS 38 0.110 -4.842 7.819 304 2HD LYS 38 HD1 LYS 38 -0.269 -3.269 8.530 305 1HE LYS 38 HE2 LYS 38 1.845 -3.827 9.386 306 2HE LYS 38 HE1 LYS 38 0.715 -4.184 10.691 307 1HZ LYS 38 HZ1 LYS 38 2.273 -5.961 10.495 308 2HZ LYS 38 HZ2 LYS 38 1.972 -6.131 8.838 309 3HZ LYS 38 HZ3 LYS 38 0.769 -6.532 9.962 310 H ALA 39 HN ALA 39 -2.742 -4.891 4.787 311 HA ALA 39 HA ALA 39 -5.340 -4.417 4.271 312 1HB ALA 39 HB1 ALA 39 -4.897 -4.968 1.959 313 2HB ALA 39 HB2 ALA 39 -3.484 -5.912 2.429 314 3HB ALA 39 HB3 ALA 39 -3.493 -4.164 2.664 315 H LYS 40 HN LYS 40 -7.064 -5.650 3.266 316 HA LYS 40 HA LYS 40 -7.099 -8.395 4.310 317 1HB LYS 40 HB2 LYS 40 -9.404 -6.502 3.799 318 2HB LYS 40 HB1 LYS 40 -9.591 -8.185 4.267 319 1HG LYS 40 HG2 LYS 40 -9.867 -6.959 6.242 320 2HG LYS 40 HG1 LYS 40 -8.229 -7.607 6.336 321 1HD LYS 40 HD2 LYS 40 -7.335 -5.459 5.574 322 2HD LYS 40 HD1 LYS 40 -8.976 -4.816 5.464 323 1HE LYS 40 HE2 LYS 40 -7.991 -4.062 7.515 324 2HE LYS 40 HE1 LYS 40 -9.249 -5.237 7.889 325 1HZ LYS 40 HZ1 LYS 40 -7.205 -5.544 9.194 326 2HZ LYS 40 HZ2 LYS 40 -6.351 -5.872 7.764 327 3HZ LYS 40 HZ3 LYS 40 -7.594 -6.908 8.265 328 H VAL 41 HN VAL 41 -6.095 -9.238 2.507 329 HA VAL 41 HA VAL 41 -7.453 -8.967 -0.069 330 HB VAL 41 HB VAL 41 -4.825 -10.314 0.593 331 1HG1 VAL 41 HG11 VAL 41 -6.014 -9.562 -2.071 332 2HG1 VAL 41 HG12 VAL 41 -5.883 -11.196 -1.422 333 3HG1 VAL 41 HG13 VAL 41 -4.425 -10.282 -1.807 334 1HG2 VAL 41 HG21 VAL 41 -5.366 -7.588 -0.584 335 2HG2 VAL 41 HG22 VAL 41 -3.778 -8.339 -0.428 336 3HG2 VAL 41 HG23 VAL 41 -4.703 -7.924 1.015 337 H ILE 42 HN ILE 42 -9.221 -10.294 0.036 338 HA ILE 42 HA ILE 42 -8.801 -13.064 0.903 339 HB ILE 42 HB ILE 42 -10.568 -11.843 2.080 340 1HG1 ILE 42 HG12 ILE 42 -12.404 -13.459 1.753 341 2HG1 ILE 42 HG11 ILE 42 -11.645 -14.007 0.260 342 1HG2 ILE 42 HG21 ILE 42 -11.240 -10.265 0.405 343 2HG2 ILE 42 HG22 ILE 42 -12.644 -11.220 0.885 344 3HG2 ILE 42 HG23 ILE 42 -11.827 -11.558 -0.641 345 1HD1 ILE 42 HD11 ILE 42 -10.469 -14.215 3.022 346 2HD1 ILE 42 HD12 ILE 42 -9.704 -14.758 1.528 347 3HD1 ILE 42 HD13 ILE 42 -11.187 -15.530 2.091 348 H HIS 43 HN HIS 43 -9.402 -11.115 -1.838 349 HA HIS 43 HA HIS 43 -10.254 -13.450 -3.407 350 1HB HIS 43 HB2 HIS 43 -11.889 -11.562 -3.229 351 2HB HIS 43 HB1 HIS 43 -10.715 -10.520 -4.019 352 HD1 HIS 43 HD1 HIS 43 -11.523 -10.094 -6.305 353 HD2 HIS 43 HD2 HIS 43 -12.137 -14.047 -5.160 354 HE1 HIS 43 HE1 HIS 43 -12.506 -11.237 -8.312 355 HE2 HIS 43 HE2 HIS 43 -13.023 -13.584 -7.549 356 H GLY 44 HN GLY 44 -7.519 -12.821 -2.754 357 1HA GLY 44 HA2 GLY 44 -5.460 -12.782 -3.789 358 2HA GLY 44 HA1 GLY 44 -6.291 -12.849 -5.335 359 H ARG 45 HN ARG 45 -7.848 -10.490 -4.887 360 HA ARG 45 HA ARG 45 -6.021 -8.295 -4.295 361 1HB ARG 45 HB2 ARG 45 -7.687 -8.355 -6.831 362 2HB ARG 45 HB1 ARG 45 -6.588 -7.083 -6.322 363 1HG ARG 45 HG2 ARG 45 -4.696 -8.621 -6.615 364 2HG ARG 45 HG1 ARG 45 -5.814 -9.873 -7.159 365 1HD ARG 45 HD2 ARG 45 -5.268 -7.224 -8.483 366 2HD ARG 45 HD1 ARG 45 -4.808 -8.820 -9.076 367 HE ARG 45 HE ARG 45 -7.558 -8.869 -8.782 368 1HH1 ARG 45 HH11 ARG 45 -5.180 -7.167 -10.708 369 2HH1 ARG 45 HH12 ARG 45 -6.302 -6.768 -11.973 370 1HH2 ARG 45 HH21 ARG 45 -9.035 -8.354 -10.475 371 2HH2 ARG 45 HH22 ARG 45 -8.469 -7.457 -11.847 372 H ALA 46 HN ALA 46 -7.175 -6.929 -2.944 373 HA ALA 46 HA ALA 46 -10.057 -6.750 -3.324 374 1HB ALA 46 HB1 ALA 46 -10.598 -7.257 -1.022 375 2HB ALA 46 HB2 ALA 46 -8.896 -7.535 -0.656 376 3HB ALA 46 HB3 ALA 46 -9.749 -8.615 -1.759 377 H ARG 47 HN ARG 47 -8.567 -5.832 -0.313 378 HA ARG 47 HA ARG 47 -8.469 -3.039 -1.185 379 1HB ARG 47 HB2 ARG 47 -10.030 -4.082 1.187 380 2HB ARG 47 HB1 ARG 47 -9.613 -2.387 0.971 381 1HG ARG 47 HG2 ARG 47 -10.893 -2.290 -1.069 382 2HG ARG 47 HG1 ARG 47 -11.235 -4.016 -0.973 383 1HD ARG 47 HD2 ARG 47 -12.078 -1.991 1.089 384 2HD ARG 47 HD1 ARG 47 -13.107 -2.562 -0.224 385 HE ARG 47 HE ARG 47 -12.045 -4.301 1.922 386 1HH1 ARG 47 HH11 ARG 47 -14.515 -3.423 -0.406 387 2HH1 ARG 47 HH12 ARG 47 -15.664 -4.600 0.173 388 1HH2 ARG 47 HH21 ARG 47 -13.545 -5.885 2.663 389 2HH2 ARG 47 HH22 ARG 47 -15.087 -6.032 1.870 390 H TRP 48 HN TRP 48 -6.916 -1.840 -0.193 391 HA TRP 48 HA TRP 48 -5.039 -3.424 1.422 392 1HB TRP 48 HB2 TRP 48 -4.596 -2.219 -0.977 393 2HB TRP 48 HB1 TRP 48 -4.093 -0.942 0.128 394 HD1 TRP 48 HD1 TRP 48 -2.150 -1.712 1.977 395 HE1 TRP 48 HE1 TRP 48 -0.170 -3.316 1.646 396 HE3 TRP 48 HE3 TRP 48 -3.785 -4.161 -2.203 397 HZ2 TRP 48 HZ2 TRP 48 0.609 -5.340 -0.168 398 HZ3 TRP 48 HZ3 TRP 48 -2.357 -5.914 -3.177 399 HH2 TRP 48 HH2 TRP 48 -0.206 -6.488 -2.178 400 H LEU 49 HN LEU 49 -3.928 -2.356 3.168 401 HA LEU 49 HA LEU 49 -5.502 -0.198 4.309 402 1HB LEU 49 HB2 LEU 49 -3.791 -2.331 5.391 403 2HB LEU 49 HB1 LEU 49 -3.695 -0.791 6.225 404 HG LEU 49 HG LEU 49 -6.156 -0.822 6.490 405 1HD1 LEU 49 HD11 LEU 49 -5.940 -3.624 5.425 406 2HD1 LEU 49 HD12 LEU 49 -6.688 -2.260 4.596 407 3HD1 LEU 49 HD13 LEU 49 -7.386 -2.871 6.096 408 1HD2 LEU 49 HD21 LEU 49 -4.707 -1.580 8.281 409 2HD2 LEU 49 HD22 LEU 49 -4.703 -3.210 7.608 410 3HD2 LEU 49 HD23 LEU 49 -6.198 -2.519 8.242 411 H TYR 50 HN TYR 50 -4.658 1.681 5.014 412 HA TYR 50 HA TYR 50 -2.667 2.824 3.368 413 1HB TYR 50 HB2 TYR 50 -4.649 3.976 4.463 414 2HB TYR 50 HB1 TYR 50 -3.722 3.963 5.957 415 HD1 TYR 50 HD1 TYR 50 -3.714 5.216 2.465 416 HD2 TYR 50 HD2 TYR 50 -2.129 5.631 6.395 417 HE1 TYR 50 HE1 TYR 50 -2.663 7.343 1.815 418 HE2 TYR 50 HE2 TYR 50 -1.072 7.756 5.751 419 HH TYR 50 HH TYR 50 -0.328 8.910 3.746 420 H ARG 51 HN ARG 51 -2.682 1.706 6.712 421 HA ARG 51 HA ARG 51 -0.195 2.535 7.547 422 1HB ARG 51 HB2 ARG 51 -0.260 0.813 9.197 423 2HB ARG 51 HB1 ARG 51 -1.897 1.409 8.964 424 1HG ARG 51 HG2 ARG 51 -2.497 -0.510 7.704 425 2HG ARG 51 HG1 ARG 51 -0.820 -1.058 7.649 426 1HD ARG 51 HD2 ARG 51 -1.825 -2.366 9.311 427 2HD ARG 51 HD1 ARG 51 -0.930 -1.132 10.189 428 HE ARG 51 HE ARG 51 -3.734 -0.571 9.688 429 1HH1 ARG 51 HH11 ARG 51 -1.271 -1.600 11.947 430 2HH1 ARG 51 HH12 ARG 51 -2.333 -1.543 13.326 431 1HH2 ARG 51 HH21 ARG 51 -5.143 -0.472 11.508 432 2HH2 ARG 51 HH22 ARG 51 -4.524 -0.898 13.075 433 H ASP 52 HN ASP 52 -0.976 -0.323 5.573 434 HA ASP 52 HA ASP 52 1.603 -1.425 5.520 435 1HB ASP 52 HB2 ASP 52 -0.360 -1.515 3.224 436 2HB ASP 52 HB1 ASP 52 0.900 -2.683 3.616 437 H HIS 53 HN HIS 53 0.076 1.075 3.605 438 HA HIS 53 HA HIS 53 2.215 1.441 1.769 439 1HB HIS 53 HB2 HIS 53 0.063 3.364 2.708 440 2HB HIS 53 HB1 HIS 53 1.219 3.735 1.438 441 HD1 HIS 53 HD1 HIS 53 -0.820 4.042 -0.178 442 HD2 HIS 53 HD2 HIS 53 -0.269 0.179 1.292 443 HE1 HIS 53 HE1 HIS 53 -2.326 2.550 -1.561 444 HE2 HIS 53 HE2 HIS 53 -2.008 0.237 -0.616 445 H CYS 54 HN CYS 54 1.405 2.742 4.926 446 HA CYS 54 HA CYS 54 3.298 4.777 5.097 447 1HB CYS 54 HB2 CYS 54 1.484 4.428 6.750 448 2HB CYS 54 HB1 CYS 54 2.302 2.981 7.328 449 HG CYS 54 HG CYS 54 2.524 5.798 8.661 450 H GLU 55 HN GLU 55 3.565 1.310 5.813 451 HA GLU 55 HA GLU 55 6.211 1.411 6.787 452 1HB GLU 55 HB2 GLU 55 4.847 -0.914 5.430 453 2HB GLU 55 HB1 GLU 55 6.242 -0.984 6.500 454 1HG GLU 55 HG2 GLU 55 3.410 -0.288 7.220 455 2HG GLU 55 HG1 GLU 55 4.341 -1.703 7.715 456 H PHE 56 HN PHE 56 4.886 0.635 3.581 457 HA PHE 56 HA PHE 56 7.405 0.044 2.476 458 1HB PHE 56 HB2 PHE 56 6.256 -0.652 0.673 459 2HB PHE 56 HB1 PHE 56 4.847 -0.405 1.691 460 HD1 PHE 56 HD1 PHE 56 6.939 1.219 -0.886 461 HD2 PHE 56 HD2 PHE 56 3.150 1.050 1.028 462 HE1 PHE 56 HE1 PHE 56 6.047 2.819 -2.526 463 HE2 PHE 56 HE2 PHE 56 2.244 2.643 -0.609 464 HZ PHE 56 HZ PHE 56 3.569 3.331 -2.498 465 H LYS 57 HN LYS 57 5.410 2.968 2.259 466 HA LYS 57 HA LYS 57 7.170 4.551 0.758 467 1HB LYS 57 HB2 LYS 57 5.227 5.294 2.945 468 2HB LYS 57 HB1 LYS 57 6.024 6.464 1.896 469 1HG LYS 57 HG2 LYS 57 4.294 4.215 0.899 470 2HG LYS 57 HG1 LYS 57 3.711 5.854 1.201 471 1HD LYS 57 HD2 LYS 57 6.080 5.390 -0.560 472 2HD LYS 57 HD1 LYS 57 4.444 5.174 -1.192 473 1HE LYS 57 HE2 LYS 57 5.536 7.671 0.092 474 2HE LYS 57 HE1 LYS 57 5.284 7.424 -1.636 475 1HZ LYS 57 HZ1 LYS 57 3.434 8.641 -0.774 476 2HZ LYS 57 HZ2 LYS 57 3.197 7.517 0.475 477 3HZ LYS 57 HZ3 LYS 57 2.890 7.069 -1.130 478 H ASN 58 HN ASN 58 7.024 3.790 4.145 479 HA ASN 58 HA ASN 58 8.812 5.616 5.214 480 1HB ASN 58 HB2 ASN 58 7.387 4.243 6.594 481 2HB ASN 58 HB1 ASN 58 8.145 2.771 5.982 482 1HD2 ASN 58 HD21 ASN 58 8.699 2.059 7.977 483 2HD2 ASN 58 HD22 ASN 58 9.944 2.790 8.942 484 H LYS 59 HN LYS 59 9.418 2.291 4.132 485 HA LYS 59 HA LYS 59 12.193 2.421 4.711 486 1HB LYS 59 HB2 LYS 59 12.303 0.215 3.966 487 2HB LYS 59 HB1 LYS 59 10.654 0.364 4.553 488 1HG LYS 59 HG2 LYS 59 10.194 0.973 2.024 489 2HG LYS 59 HG1 LYS 59 11.663 0.021 1.792 490 1HD LYS 59 HD2 LYS 59 10.445 -1.655 3.398 491 2HD LYS 59 HD1 LYS 59 9.002 -0.805 2.840 492 1HE LYS 59 HE2 LYS 59 9.278 -2.651 1.394 493 2HE LYS 59 HE1 LYS 59 9.810 -1.231 0.487 494 1HZ LYS 59 HZ1 LYS 59 11.235 -3.505 0.767 495 2HZ LYS 59 HZ2 LYS 59 11.909 -2.540 1.986 496 3HZ LYS 59 HZ3 LYS 59 11.899 -1.994 0.379 497 H LEU 60 HN LEU 60 10.264 3.049 1.860 498 HA LEU 60 HA LEU 60 12.476 3.206 0.046 499 1HB LEU 60 HB2 LEU 60 9.593 4.004 -0.088 500 2HB LEU 60 HB1 LEU 60 10.709 4.489 -1.349 501 HG LEU 60 HG LEU 60 10.203 1.619 -0.551 502 1HD1 LEU 60 HD11 LEU 60 8.883 1.451 -2.558 503 2HD1 LEU 60 HD12 LEU 60 9.159 3.155 -2.927 504 3HD1 LEU 60 HD13 LEU 60 8.209 2.701 -1.512 505 1HD2 LEU 60 HD21 LEU 60 11.670 2.859 -2.879 506 2HD2 LEU 60 HD22 LEU 60 11.355 1.137 -2.668 507 3HD2 LEU 60 HD23 LEU 60 12.397 1.988 -1.526 508 H LEU 61 HN LEU 61 10.924 5.399 2.219 509 HA LEU 61 HA LEU 61 11.694 7.874 1.163 510 1HB LEU 61 HB2 LEU 61 10.135 7.351 3.094 511 2HB LEU 61 HB1 LEU 61 11.554 7.094 4.079 512 HG LEU 61 HG LEU 61 10.582 9.231 4.535 513 1HD1 LEU 61 HD11 LEU 61 13.151 9.599 3.028 514 2HD1 LEU 61 HD12 LEU 61 12.990 9.136 4.722 515 3HD1 LEU 61 HD13 LEU 61 12.463 10.732 4.190 516 1HD2 LEU 61 HD21 LEU 61 11.000 9.870 1.630 517 2HD2 LEU 61 HD22 LEU 61 10.414 10.989 2.861 518 3HD2 LEU 61 HD23 LEU 61 9.450 9.580 2.417 519 H SER 62 HN SER 62 13.204 5.980 3.716 520 HA SER 62 HA SER 62 15.613 7.518 3.705 521 1HB SER 62 HB2 SER 62 14.777 6.509 5.766 522 2HB SER 62 HB1 SER 62 14.934 4.899 5.063 523 HG SER 62 HG SER 62 17.165 6.626 5.247 524 H ARG 63 HN ARG 63 14.638 4.495 2.187 525 HA ARG 63 HA ARG 63 17.358 4.092 1.235 526 1HB ARG 63 HB2 ARG 63 15.567 1.861 2.175 527 2HB ARG 63 HB1 ARG 63 17.267 1.782 1.765 528 1HG ARG 63 HG2 ARG 63 17.793 3.173 3.715 529 2HG ARG 63 HG1 ARG 63 16.080 3.191 4.136 530 1HD ARG 63 HD2 ARG 63 16.321 0.599 4.027 531 2HD ARG 63 HD1 ARG 63 18.037 0.946 4.233 532 HE ARG 63 HE ARG 63 17.071 2.343 6.249 533 1HH1 ARG 63 HH11 ARG 63 16.309 -0.900 5.190 534 2HH1 ARG 63 HH12 ARG 63 15.641 -1.392 6.715 535 1HH2 ARG 63 HH21 ARG 63 16.197 1.695 8.285 536 2HH2 ARG 63 HH22 ARG 63 15.582 0.080 8.477 537 H ALA 64 HN ALA 64 17.083 4.440 -0.873 538 HA ALA 64 HA ALA 64 14.797 3.692 -2.393 539 1HB ALA 64 HB1 ALA 64 16.354 5.457 -3.104 540 2HB ALA 64 HB2 ALA 64 16.126 4.230 -4.349 541 3HB ALA 64 HB3 ALA 64 17.598 4.236 -3.377 542 H ASN 65 HN ASN 65 14.726 1.483 -1.387 543 HA ASN 65 HA ASN 65 16.667 -0.452 -2.326 544 1HB ASN 65 HB2 ASN 65 15.368 -2.033 -0.929 545 2HB ASN 65 HB1 ASN 65 15.897 -0.620 -0.027 546 1HD2 ASN 65 HD21 ASN 65 14.379 0.840 0.714 547 2HD2 ASN 65 HD22 ASN 65 12.683 0.513 0.690 548 H GLY 66 HN GLY 66 14.170 0.935 -3.825 549 1HA GLY 66 HA2 GLY 66 13.854 -0.973 -5.818 550 2HA GLY 66 HA1 GLY 66 12.559 -1.236 -4.657 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -5.503 16.315 -2.432 2 2H MET 1 HT2 MET 1 -6.310 15.327 -1.318 3 3H MET 1 HT3 MET 1 -7.150 16.573 -2.101 4 HA MET 1 HA MET 1 -6.799 15.467 -4.231 5 1HB MET 1 HB2 MET 1 -5.644 13.297 -2.466 6 2HB MET 1 HB1 MET 1 -6.105 13.058 -4.146 7 1HG MET 1 HG2 MET 1 -3.994 14.959 -3.145 8 2HG MET 1 HG1 MET 1 -3.707 13.394 -3.904 9 1HE MET 1 HE1 MET 1 -4.987 14.025 -7.560 10 2HE MET 1 HE2 MET 1 -5.932 13.381 -6.216 11 3HE MET 1 HE3 MET 1 -4.263 12.859 -6.451 12 H GLN 2 HN GLN 2 -7.899 13.018 -4.558 13 HA GLN 2 HA GLN 2 -10.575 13.480 -4.133 14 1HB GLN 2 HB2 GLN 2 -10.889 11.059 -4.706 15 2HB GLN 2 HB1 GLN 2 -9.896 11.966 -5.835 16 1HG GLN 2 HG2 GLN 2 -7.878 11.037 -4.729 17 2HG GLN 2 HG1 GLN 2 -8.933 10.050 -3.721 18 1HE2 GLN 2 HE21 GLN 2 -8.086 8.133 -4.517 19 2HE2 GLN 2 HE22 GLN 2 -8.421 7.562 -6.112 20 H HIS 3 HN HIS 3 -8.454 11.404 -2.148 21 HA HIS 3 HA HIS 3 -10.526 11.472 -0.075 22 1HB HIS 3 HB2 HIS 3 -10.737 9.332 -1.321 23 2HB HIS 3 HB1 HIS 3 -9.068 8.956 -0.913 24 HD1 HIS 3 HD1 HIS 3 -8.639 7.908 1.350 25 HD2 HIS 3 HD2 HIS 3 -12.535 9.291 0.929 26 HE1 HIS 3 HE1 HIS 3 -9.890 7.020 3.342 27 HE2 HIS 3 HE2 HIS 3 -12.207 7.990 3.141 28 H GLU 4 HN GLU 4 -9.760 11.913 1.884 29 HA GLU 4 HA GLU 4 -6.858 11.715 2.341 30 1HB GLU 4 HB2 GLU 4 -8.967 13.299 3.827 31 2HB GLU 4 HB1 GLU 4 -7.259 13.261 4.239 32 1HG GLU 4 HG2 GLU 4 -6.736 14.233 2.039 33 2HG GLU 4 HG1 GLU 4 -8.462 14.331 1.696 34 H LEU 5 HN LEU 5 -6.078 10.506 4.051 35 HA LEU 5 HA LEU 5 -7.979 9.198 5.807 36 1HB LEU 5 HB2 LEU 5 -6.844 6.937 5.196 37 2HB LEU 5 HB1 LEU 5 -8.191 7.540 4.260 38 HG LEU 5 HG LEU 5 -6.677 8.273 2.493 39 1HD1 LEU 5 HD11 LEU 5 -4.469 7.104 4.181 40 2HD1 LEU 5 HD12 LEU 5 -4.717 8.821 3.858 41 3HD1 LEU 5 HD13 LEU 5 -4.309 7.724 2.538 42 1HD2 LEU 5 HD21 LEU 5 -7.543 6.048 2.319 43 2HD2 LEU 5 HD22 LEU 5 -6.304 5.427 3.410 44 3HD2 LEU 5 HD23 LEU 5 -5.851 6.022 1.815 45 H GLN 6 HN GLN 6 -6.947 7.774 7.369 46 HA GLN 6 HA GLN 6 -4.354 8.846 8.227 47 1HB GLN 6 HB2 GLN 6 -5.004 8.209 10.466 48 2HB GLN 6 HB1 GLN 6 -6.270 9.189 9.745 49 1HG GLN 6 HG2 GLN 6 -7.565 7.181 9.278 50 2HG GLN 6 HG1 GLN 6 -6.292 6.192 9.999 51 1HE2 GLN 6 HE21 GLN 6 -5.862 6.427 12.214 52 2HE2 GLN 6 HE22 GLN 6 -7.084 6.982 13.306 53 HA PRO 7 HA PRO 7 -1.843 5.180 8.058 54 1HB PRO 7 HB2 PRO 7 -2.578 4.788 10.941 55 2HB PRO 7 HB1 PRO 7 -1.018 4.556 10.141 56 1HG PRO 7 HG2 PRO 7 -1.596 6.805 11.505 57 2HG PRO 7 HG1 PRO 7 -0.571 6.818 10.062 58 1HD PRO 7 HD2 PRO 7 -3.263 7.903 10.426 59 2HD PRO 7 HD1 PRO 7 -2.106 8.191 9.112 60 H ASP 8 HN ASP 8 -4.701 4.547 10.151 61 HA ASP 8 HA ASP 8 -4.932 1.970 8.767 62 1HB ASP 8 HB2 ASP 8 -4.868 2.010 11.286 63 2HB ASP 8 HB1 ASP 8 -6.427 2.834 11.251 64 H SER 9 HN SER 9 -6.054 2.178 7.003 65 HA SER 9 HA SER 9 -8.768 3.018 6.978 66 1HB SER 9 HB2 SER 9 -7.613 5.234 6.967 67 2HB SER 9 HB1 SER 9 -6.767 4.754 5.497 68 HG SER 9 HG SER 9 -9.599 4.892 5.755 69 H LEU 10 HN LEU 10 -9.492 3.071 4.532 70 HA LEU 10 HA LEU 10 -8.318 0.631 3.410 71 1HB LEU 10 HB2 LEU 10 -11.074 1.810 3.081 72 2HB LEU 10 HB1 LEU 10 -10.514 0.345 2.299 73 HG LEU 10 HG LEU 10 -10.759 0.721 5.286 74 1HD1 LEU 10 HD11 LEU 10 -12.934 0.689 4.174 75 2HD1 LEU 10 HD12 LEU 10 -12.670 -0.778 5.115 76 3HD1 LEU 10 HD13 LEU 10 -12.498 -0.814 3.360 77 1HD2 LEU 10 HD21 LEU 10 -10.403 -1.705 5.364 78 2HD2 LEU 10 HD22 LEU 10 -9.013 -0.858 4.687 79 3HD2 LEU 10 HD23 LEU 10 -10.127 -1.714 3.621 80 H VAL 11 HN VAL 11 -6.874 1.164 1.926 81 HA VAL 11 HA VAL 11 -7.642 2.989 -0.246 82 HB VAL 11 HB VAL 11 -5.289 2.767 -0.997 83 1HG1 VAL 11 HG11 VAL 11 -5.510 3.556 1.898 84 2HG1 VAL 11 HG12 VAL 11 -5.941 4.576 0.525 85 3HG1 VAL 11 HG13 VAL 11 -4.269 4.069 0.756 86 1HG2 VAL 11 HG21 VAL 11 -4.968 1.121 1.503 87 2HG2 VAL 11 HG22 VAL 11 -3.650 1.701 0.482 88 3HG2 VAL 11 HG23 VAL 11 -4.822 0.549 -0.158 89 H ASP 12 HN ASP 12 -6.994 2.205 -2.460 90 HA ASP 12 HA ASP 12 -7.600 -0.657 -2.732 91 1HB ASP 12 HB2 ASP 12 -9.482 0.751 -3.469 92 2HB ASP 12 HB1 ASP 12 -8.414 1.620 -4.561 93 H LEU 13 HN LEU 13 -6.791 -1.589 -4.856 94 HA LEU 13 HA LEU 13 -4.044 -1.284 -5.155 95 1HB LEU 13 HB2 LEU 13 -5.274 -3.232 -5.940 96 2HB LEU 13 HB1 LEU 13 -6.086 -2.253 -7.147 97 HG LEU 13 HG LEU 13 -3.969 -1.893 -8.315 98 1HD1 LEU 13 HD11 LEU 13 -2.771 -3.693 -6.214 99 2HD1 LEU 13 HD12 LEU 13 -2.482 -1.961 -6.376 100 3HD1 LEU 13 HD13 LEU 13 -1.947 -3.066 -7.642 101 1HD2 LEU 13 HD21 LEU 13 -5.330 -3.824 -8.919 102 2HD2 LEU 13 HD22 LEU 13 -4.488 -4.802 -7.715 103 3HD2 LEU 13 HD23 LEU 13 -3.611 -4.169 -9.108 104 H LYS 14 HN LYS 14 -6.688 0.119 -7.033 105 HA LYS 14 HA LYS 14 -5.164 1.566 -8.897 106 1HB LYS 14 HB2 LYS 14 -7.592 1.163 -9.082 107 2HB LYS 14 HB1 LYS 14 -7.870 2.205 -7.697 108 1HG LYS 14 HG2 LYS 14 -6.945 4.100 -8.978 109 2HG LYS 14 HG1 LYS 14 -6.784 3.033 -10.376 110 1HD LYS 14 HD2 LYS 14 -9.214 2.598 -10.279 111 2HD LYS 14 HD1 LYS 14 -9.341 3.746 -8.946 112 1HE LYS 14 HE2 LYS 14 -9.975 4.797 -11.040 113 2HE LYS 14 HE1 LYS 14 -8.499 5.525 -10.407 114 1HZ LYS 14 HZ1 LYS 14 -7.199 4.322 -11.971 115 2HZ LYS 14 HZ2 LYS 14 -8.472 5.050 -12.830 116 3HZ LYS 14 HZ3 LYS 14 -8.529 3.397 -12.473 117 H PHE 15 HN PHE 15 -6.246 2.267 -5.654 118 HA PHE 15 HA PHE 15 -5.471 4.968 -5.505 119 1HB PHE 15 HB2 PHE 15 -6.918 3.510 -3.900 120 2HB PHE 15 HB1 PHE 15 -5.376 3.124 -3.149 121 HD1 PHE 15 HD1 PHE 15 -8.010 5.512 -3.391 122 HD2 PHE 15 HD2 PHE 15 -3.929 5.028 -2.316 123 HE1 PHE 15 HE1 PHE 15 -8.119 7.598 -2.093 124 HE2 PHE 15 HE2 PHE 15 -4.026 7.114 -0.995 125 HZ PHE 15 HZ PHE 15 -6.123 8.401 -0.890 126 H ILE 16 HN ILE 16 -3.766 1.962 -4.595 127 HA ILE 16 HA ILE 16 -1.401 3.055 -3.643 128 HB ILE 16 HB ILE 16 -1.290 0.614 -5.383 129 1HG1 ILE 16 HG12 ILE 16 -2.424 0.748 -2.575 130 2HG1 ILE 16 HG11 ILE 16 -3.332 0.354 -4.024 131 1HG2 ILE 16 HG21 ILE 16 0.769 1.401 -4.414 132 2HG2 ILE 16 HG22 ILE 16 0.280 -0.074 -3.581 133 3HG2 ILE 16 HG23 ILE 16 0.027 1.493 -2.818 134 1HD1 ILE 16 HD11 ILE 16 -2.026 -1.674 -4.310 135 2HD1 ILE 16 HD12 ILE 16 -2.794 -1.629 -2.722 136 3HD1 ILE 16 HD13 ILE 16 -1.075 -1.271 -2.881 137 H MET 17 HN MET 17 -2.364 2.392 -6.979 138 HA MET 17 HA MET 17 0.036 3.150 -8.229 139 1HB MET 17 HB2 MET 17 -2.806 3.349 -9.251 140 2HB MET 17 HB1 MET 17 -1.367 3.506 -10.247 141 1HG MET 17 HG2 MET 17 -0.734 1.217 -9.722 142 2HG MET 17 HG1 MET 17 -2.148 1.056 -8.683 143 1HE MET 17 HE1 MET 17 -2.360 1.583 -13.266 144 2HE MET 17 HE2 MET 17 -0.848 1.448 -12.368 145 3HE MET 17 HE3 MET 17 -1.865 2.876 -12.175 146 H ALA 18 HN ALA 18 -2.750 5.005 -7.163 147 HA ALA 18 HA ALA 18 -1.851 7.527 -8.140 148 1HB ALA 18 HB1 ALA 18 -3.598 8.474 -6.742 149 2HB ALA 18 HB2 ALA 18 -3.787 6.935 -5.900 150 3HB ALA 18 HB3 ALA 18 -4.207 7.066 -7.610 151 H ASP 19 HN ASP 19 -1.306 5.675 -5.260 152 HA ASP 19 HA ASP 19 -0.469 7.664 -3.469 153 1HB ASP 19 HB2 ASP 19 -1.026 5.187 -3.035 154 2HB ASP 19 HB1 ASP 19 0.618 4.840 -3.548 155 H THR 20 HN THR 20 1.357 5.663 -5.747 156 HA THR 20 HA THR 20 3.695 7.395 -5.302 157 HB THR 20 HB THR 20 5.004 5.412 -6.233 158 HG1 THR 20 HG1 THR 20 2.834 3.835 -5.360 159 1HG2 THR 20 HG21 THR 20 3.572 5.158 -3.590 160 2HG2 THR 20 HG22 THR 20 5.096 5.997 -3.886 161 3HG2 THR 20 HG23 THR 20 5.005 4.242 -4.052 162 H GLY 21 HN GLY 21 2.239 5.306 -7.779 163 1HA GLY 21 HA2 GLY 21 1.617 6.353 -9.924 164 2HA GLY 21 HA1 GLY 21 3.130 7.247 -9.820 165 H PHE 22 HN PHE 22 2.996 3.910 -8.849 166 HA PHE 22 HA PHE 22 4.690 3.277 -11.180 167 1HB PHE 22 HB2 PHE 22 4.881 2.120 -8.392 168 2HB PHE 22 HB1 PHE 22 5.938 1.738 -9.748 169 HD1 PHE 22 HD1 PHE 22 6.114 3.232 -6.808 170 HD2 PHE 22 HD2 PHE 22 6.585 4.300 -10.899 171 HE1 PHE 22 HE1 PHE 22 7.593 5.079 -6.145 172 HE2 PHE 22 HE2 PHE 22 8.068 6.153 -10.245 173 HZ PHE 22 HZ PHE 22 8.577 6.542 -7.869 174 H GLY 23 HN GLY 23 4.944 0.656 -11.125 175 1HA GLY 23 HA2 GLY 23 2.279 -0.217 -11.886 176 2HA GLY 23 HA1 GLY 23 3.790 -1.043 -12.229 177 H LYS 24 HN LYS 24 1.410 -2.257 -11.321 178 HA LYS 24 HA LYS 24 1.132 -2.711 -8.628 179 1HB LYS 24 HB2 LYS 24 -0.026 -4.751 -9.174 180 2HB LYS 24 HB1 LYS 24 -0.436 -3.512 -10.350 181 1HG LYS 24 HG2 LYS 24 1.231 -4.542 -11.900 182 2HG LYS 24 HG1 LYS 24 1.417 -5.853 -10.730 183 1HD LYS 24 HD2 LYS 24 -1.051 -6.237 -10.894 184 2HD LYS 24 HD1 LYS 24 -1.095 -5.056 -12.202 185 1HE LYS 24 HE2 LYS 24 0.336 -7.707 -12.162 186 2HE LYS 24 HE1 LYS 24 -1.019 -7.230 -13.183 187 1HZ LYS 24 HZ1 LYS 24 1.802 -6.390 -13.349 188 2HZ LYS 24 HZ2 LYS 24 0.581 -5.436 -14.032 189 3HZ LYS 24 HZ3 LYS 24 0.811 -7.031 -14.566 190 H THR 25 HN THR 25 3.521 -4.180 -10.778 191 HA THR 25 HA THR 25 4.302 -6.288 -9.105 192 HB THR 25 HB THR 25 5.008 -6.121 -11.460 193 HG1 THR 25 HG1 THR 25 7.339 -6.181 -9.824 194 1HG2 THR 25 HG21 THR 25 5.533 -3.734 -11.571 195 2HG2 THR 25 HG22 THR 25 6.907 -4.705 -12.102 196 3HG2 THR 25 HG23 THR 25 6.908 -3.977 -10.495 197 H PHE 26 HN PHE 26 5.440 -2.954 -9.281 198 HA PHE 26 HA PHE 26 7.458 -3.067 -7.350 199 1HB PHE 26 HB2 PHE 26 7.487 -1.127 -8.616 200 2HB PHE 26 HB1 PHE 26 5.741 -0.928 -8.544 201 HD1 PHE 26 HD1 PHE 26 4.704 0.263 -6.770 202 HD2 PHE 26 HD2 PHE 26 8.902 -0.396 -6.766 203 HE1 PHE 26 HE1 PHE 26 4.954 1.934 -4.986 204 HE2 PHE 26 HE2 PHE 26 9.166 1.276 -4.978 205 HZ PHE 26 HZ PHE 26 7.187 2.442 -4.084 206 H ILE 27 HN ILE 27 4.005 -2.462 -7.129 207 HA ILE 27 HA ILE 27 3.857 -1.664 -4.459 208 HB ILE 27 HB ILE 27 1.775 -3.192 -6.023 209 1HG1 ILE 27 HG12 ILE 27 2.156 -0.199 -5.761 210 2HG1 ILE 27 HG11 ILE 27 2.594 -1.143 -7.181 211 1HG2 ILE 27 HG21 ILE 27 1.271 -3.162 -3.674 212 2HG2 ILE 27 HG22 ILE 27 0.192 -2.041 -4.502 213 3HG2 ILE 27 HG23 ILE 27 1.571 -1.428 -3.586 214 1HD1 ILE 27 HD11 ILE 27 0.216 -1.808 -7.396 215 2HD1 ILE 27 HD12 ILE 27 0.500 -0.076 -7.582 216 3HD1 ILE 27 HD13 ILE 27 -0.166 -0.706 -6.074 217 H TYR 28 HN TYR 28 3.045 -4.874 -5.787 218 HA TYR 28 HA TYR 28 2.534 -5.945 -3.249 219 1HB TYR 28 HB2 TYR 28 3.020 -7.264 -5.912 220 2HB TYR 28 HB1 TYR 28 2.607 -8.173 -4.457 221 HD1 TYR 28 HD1 TYR 28 1.401 -5.428 -6.666 222 HD2 TYR 28 HD2 TYR 28 0.362 -8.397 -3.795 223 HE1 TYR 28 HE1 TYR 28 -0.980 -5.012 -7.096 224 HE2 TYR 28 HE2 TYR 28 -2.018 -7.982 -4.218 225 HH TYR 28 HH TYR 28 -3.140 -6.279 -6.870 226 H ASP 29 HN ASP 29 5.484 -5.934 -5.188 227 HA ASP 29 HA ASP 29 6.990 -7.638 -3.493 228 1HB ASP 29 HB2 ASP 29 7.745 -6.972 -5.752 229 2HB ASP 29 HB1 ASP 29 7.927 -5.312 -5.198 230 H ARG 30 HN ARG 30 6.703 -4.116 -3.637 231 HA ARG 30 HA ARG 30 8.510 -3.597 -1.545 232 1HB ARG 30 HB2 ARG 30 7.517 -2.053 -3.410 233 2HB ARG 30 HB1 ARG 30 6.282 -1.715 -2.206 234 1HG ARG 30 HG2 ARG 30 7.658 -0.108 -1.523 235 2HG ARG 30 HG1 ARG 30 8.573 -1.411 -0.764 236 1HD ARG 30 HD2 ARG 30 9.041 -0.250 -3.506 237 2HD ARG 30 HD1 ARG 30 10.040 0.014 -2.079 238 HE ARG 30 HE ARG 30 10.274 -2.566 -2.228 239 1HH1 ARG 30 HH11 ARG 30 10.296 -0.287 -4.902 240 2HH1 ARG 30 HH12 ARG 30 11.192 -1.348 -5.945 241 1HH2 ARG 30 HH21 ARG 30 11.443 -3.948 -3.634 242 2HH2 ARG 30 HH22 ARG 30 11.823 -3.399 -5.239 243 H ILE 31 HN ILE 31 4.970 -3.771 -1.595 244 HA ILE 31 HA ILE 31 4.743 -2.872 1.105 245 HB ILE 31 HB ILE 31 2.720 -3.934 -0.859 246 1HG1 ILE 31 HG12 ILE 31 1.730 -1.640 -0.436 247 2HG1 ILE 31 HG11 ILE 31 3.180 -1.255 0.488 248 1HG2 ILE 31 HG21 ILE 31 2.186 -3.130 1.995 249 2HG2 ILE 31 HG22 ILE 31 2.080 -4.767 1.347 250 3HG2 ILE 31 HG23 ILE 31 0.968 -3.520 0.780 251 1HD1 ILE 31 HD11 ILE 31 3.240 -0.372 -1.786 252 2HD1 ILE 31 HD12 ILE 31 3.118 -2.014 -2.422 253 3HD1 ILE 31 HD13 ILE 31 4.534 -1.532 -1.491 254 H LYS 32 HN LYS 32 4.570 -6.089 -0.446 255 HA LYS 32 HA LYS 32 3.724 -7.522 1.814 256 1HB LYS 32 HB2 LYS 32 5.199 -8.238 -0.665 257 2HB LYS 32 HB1 LYS 32 5.195 -9.393 0.661 258 1HG LYS 32 HG2 LYS 32 2.732 -9.340 0.672 259 2HG LYS 32 HG1 LYS 32 2.777 -8.250 -0.718 260 1HD LYS 32 HD2 LYS 32 3.794 -9.913 -2.083 261 2HD LYS 32 HD1 LYS 32 4.068 -10.964 -0.695 262 1HE LYS 32 HE2 LYS 32 1.341 -10.145 -1.684 263 2HE LYS 32 HE1 LYS 32 2.149 -11.641 -2.150 264 1HZ LYS 32 HZ1 LYS 32 2.168 -12.341 0.140 265 2HZ LYS 32 HZ2 LYS 32 0.580 -11.955 -0.311 266 3HZ LYS 32 HZ3 LYS 32 1.479 -10.877 0.643 267 H SER 33 HN SER 33 6.948 -6.585 0.755 268 HA SER 33 HA SER 33 8.239 -7.812 3.028 269 1HB SER 33 HB2 SER 33 9.286 -7.498 0.748 270 2HB SER 33 HB1 SER 33 9.341 -5.771 1.107 271 HG SER 33 HG SER 33 10.592 -7.829 2.623 272 H GLY 34 HN GLY 34 6.430 -5.043 2.602 273 1HA GLY 34 HA2 GLY 34 8.026 -3.140 4.017 274 2HA GLY 34 HA1 GLY 34 6.334 -2.961 3.579 275 H ASP 35 HN ASP 35 4.879 -4.568 4.908 276 HA ASP 35 HA ASP 35 5.747 -4.569 7.706 277 1HB ASP 35 HB2 ASP 35 4.766 -2.324 7.262 278 2HB ASP 35 HB1 ASP 35 3.260 -3.098 6.799 279 H LEU 36 HN LEU 36 4.787 -6.471 5.535 280 HA LEU 36 HA LEU 36 3.413 -8.268 5.224 281 1HB LEU 36 HB2 LEU 36 3.220 -8.152 8.242 282 2HB LEU 36 HB1 LEU 36 2.708 -9.501 7.248 283 HG LEU 36 HG LEU 36 5.550 -8.511 7.486 284 1HD1 LEU 36 HD11 LEU 36 4.745 -9.523 9.560 285 2HD1 LEU 36 HD12 LEU 36 5.939 -10.549 8.763 286 3HD1 LEU 36 HD13 LEU 36 4.224 -10.950 8.663 287 1HD2 LEU 36 HD21 LEU 36 4.412 -10.957 6.143 288 2HD2 LEU 36 HD22 LEU 36 6.124 -10.560 6.295 289 3HD2 LEU 36 HD23 LEU 36 5.061 -9.538 5.325 290 HA PRO 37 HA PRO 37 0.095 -5.171 4.822 291 1HB PRO 37 HB2 PRO 37 -0.934 -7.477 3.214 292 2HB PRO 37 HB1 PRO 37 -0.949 -5.750 2.838 293 1HG PRO 37 HG2 PRO 37 0.872 -7.373 1.761 294 2HG PRO 37 HG1 PRO 37 1.284 -5.720 2.245 295 1HD PRO 37 HD2 PRO 37 2.041 -8.289 3.492 296 2HD PRO 37 HD1 PRO 37 2.853 -6.714 3.560 297 H LYS 38 HN LYS 38 -1.251 -4.860 6.409 298 HA LYS 38 HA LYS 38 -2.810 -7.026 7.568 299 1HB LYS 38 HB2 LYS 38 -2.624 -4.080 8.213 300 2HB LYS 38 HB1 LYS 38 -3.733 -5.173 9.029 301 1HG LYS 38 HG2 LYS 38 -1.842 -4.911 10.427 302 2HG LYS 38 HG1 LYS 38 -1.732 -6.524 9.719 303 1HD LYS 38 HD2 LYS 38 -0.202 -5.576 7.993 304 2HD LYS 38 HD1 LYS 38 -0.228 -4.052 8.888 305 1HE LYS 38 HE2 LYS 38 0.424 -6.472 10.451 306 2HE LYS 38 HE1 LYS 38 1.621 -5.974 9.257 307 1HZ LYS 38 HZ1 LYS 38 0.526 -4.288 11.444 308 2HZ LYS 38 HZ2 LYS 38 1.635 -3.768 10.262 309 3HZ LYS 38 HZ3 LYS 38 2.084 -4.964 11.376 310 H ALA 39 HN ALA 39 -2.986 -5.034 4.975 311 HA ALA 39 HA ALA 39 -5.524 -4.280 4.471 312 1HB ALA 39 HB1 ALA 39 -5.126 -4.870 2.149 313 2HB ALA 39 HB2 ALA 39 -3.794 -5.919 2.632 314 3HB ALA 39 HB3 ALA 39 -3.671 -4.176 2.869 315 H LYS 40 HN LYS 40 -7.353 -5.332 3.395 316 HA LYS 40 HA LYS 40 -7.649 -8.060 4.433 317 1HB LYS 40 HB2 LYS 40 -9.724 -5.965 3.744 318 2HB LYS 40 HB1 LYS 40 -10.129 -7.636 4.107 319 1HG LYS 40 HG2 LYS 40 -10.475 -6.370 6.087 320 2HG LYS 40 HG1 LYS 40 -9.025 -7.342 6.330 321 1HD LYS 40 HD2 LYS 40 -7.646 -5.364 5.748 322 2HD LYS 40 HD1 LYS 40 -9.125 -4.409 5.620 323 1HE LYS 40 HE2 LYS 40 -8.180 -4.006 7.773 324 2HE LYS 40 HE1 LYS 40 -9.616 -5.003 8.001 325 1HZ LYS 40 HZ1 LYS 40 -7.748 -5.769 9.342 326 2HZ LYS 40 HZ2 LYS 40 -6.821 -6.006 7.944 327 3HZ LYS 40 HZ3 LYS 40 -8.208 -6.945 8.211 328 H VAL 41 HN VAL 41 -6.385 -8.755 2.720 329 HA VAL 41 HA VAL 41 -7.795 -8.923 0.171 330 HB VAL 41 HB VAL 41 -5.790 -7.681 -0.081 331 1HG1 VAL 41 HG11 VAL 41 -4.587 -8.272 1.897 332 2HG1 VAL 41 HG12 VAL 41 -3.563 -8.571 0.491 333 3HG1 VAL 41 HG13 VAL 41 -4.354 -9.918 1.312 334 1HG2 VAL 41 HG21 VAL 41 -4.501 -9.097 -1.653 335 2HG2 VAL 41 HG22 VAL 41 -6.245 -9.194 -1.899 336 3HG2 VAL 41 HG23 VAL 41 -5.400 -10.499 -1.068 337 H ILE 42 HN ILE 42 -8.902 -10.815 0.456 338 HA ILE 42 HA ILE 42 -7.207 -13.206 0.612 339 HB ILE 42 HB ILE 42 -8.337 -12.813 2.807 340 1HG1 ILE 42 HG12 ILE 42 -9.181 -15.131 3.050 341 2HG1 ILE 42 HG11 ILE 42 -9.183 -15.297 1.296 342 1HG2 ILE 42 HG21 ILE 42 -10.736 -13.239 3.001 343 2HG2 ILE 42 HG22 ILE 42 -10.858 -13.351 1.245 344 3HG2 ILE 42 HG23 ILE 42 -10.407 -11.824 2.003 345 1HD1 ILE 42 HD11 ILE 42 -6.760 -14.820 3.019 346 2HD1 ILE 42 HD12 ILE 42 -6.763 -14.988 1.264 347 3HD1 ILE 42 HD13 ILE 42 -7.231 -16.352 2.281 348 H HIS 43 HN HIS 43 -9.691 -11.450 -0.878 349 HA HIS 43 HA HIS 43 -10.684 -13.816 -2.292 350 1HB HIS 43 HB2 HIS 43 -11.773 -10.999 -2.197 351 2HB HIS 43 HB1 HIS 43 -12.460 -12.303 -3.158 352 HD1 HIS 43 HD1 HIS 43 -12.924 -14.564 -1.424 353 HD2 HIS 43 HD2 HIS 43 -13.146 -10.686 0.068 354 HE1 HIS 43 HE1 HIS 43 -14.330 -14.710 0.657 355 HE2 HIS 43 HE2 HIS 43 -14.636 -12.319 1.400 356 H GLY 44 HN GLY 44 -8.039 -12.302 -2.782 357 1HA GLY 44 HA2 GLY 44 -6.902 -12.471 -4.866 358 2HA GLY 44 HA1 GLY 44 -8.442 -12.302 -5.692 359 H ARG 45 HN ARG 45 -6.764 -10.361 -3.241 360 HA ARG 45 HA ARG 45 -5.985 -8.222 -3.223 361 1HB ARG 45 HB2 ARG 45 -6.384 -8.263 -6.222 362 2HB ARG 45 HB1 ARG 45 -5.408 -7.116 -5.311 363 1HG ARG 45 HG2 ARG 45 -3.842 -8.816 -4.714 364 2HG ARG 45 HG1 ARG 45 -4.881 -10.078 -5.372 365 1HD ARG 45 HD2 ARG 45 -4.601 -9.073 -7.621 366 2HD ARG 45 HD1 ARG 45 -3.473 -7.909 -6.921 367 HE ARG 45 HE ARG 45 -2.891 -10.743 -6.536 368 1HH1 ARG 45 HH11 ARG 45 -2.188 -7.776 -8.259 369 2HH1 ARG 45 HH12 ARG 45 -0.644 -8.329 -8.837 370 1HH2 ARG 45 HH21 ARG 45 -0.875 -11.461 -7.275 371 2HH2 ARG 45 HH22 ARG 45 0.092 -10.440 -8.299 372 H ALA 46 HN ALA 46 -7.645 -7.331 -2.062 373 HA ALA 46 HA ALA 46 -9.888 -6.229 -3.606 374 1HB ALA 46 HB1 ALA 46 -11.354 -6.661 -1.727 375 2HB ALA 46 HB2 ALA 46 -10.008 -7.343 -0.813 376 3HB ALA 46 HB3 ALA 46 -10.583 -8.150 -2.272 377 H ARG 47 HN ARG 47 -9.021 -5.812 -0.155 378 HA ARG 47 HA ARG 47 -8.863 -2.920 -0.720 379 1HB ARG 47 HB2 ARG 47 -10.159 -4.347 1.603 380 2HB ARG 47 HB1 ARG 47 -9.772 -2.633 1.636 381 1HG ARG 47 HG2 ARG 47 -11.276 -2.195 -0.177 382 2HG ARG 47 HG1 ARG 47 -11.554 -3.920 -0.419 383 1HD ARG 47 HD2 ARG 47 -12.257 -2.386 2.078 384 2HD ARG 47 HD1 ARG 47 -13.395 -2.814 0.799 385 HE ARG 47 HE ARG 47 -12.200 -5.179 1.561 386 1HH1 ARG 47 HH11 ARG 47 -14.157 -2.718 3.127 387 2HH1 ARG 47 HH12 ARG 47 -14.844 -3.829 4.273 388 1HH2 ARG 47 HH21 ARG 47 -13.095 -6.616 3.041 389 2HH2 ARG 47 HH22 ARG 47 -14.241 -6.058 4.226 390 H TRP 48 HN TRP 48 -7.236 -1.789 0.258 391 HA TRP 48 HA TRP 48 -5.306 -3.447 1.731 392 1HB TRP 48 HB2 TRP 48 -4.903 -2.310 -0.717 393 2HB TRP 48 HB1 TRP 48 -4.263 -1.064 0.353 394 HD1 TRP 48 HD1 TRP 48 -2.236 -1.836 2.015 395 HE1 TRP 48 HE1 TRP 48 -0.437 -3.642 1.707 396 HE3 TRP 48 HE3 TRP 48 -4.404 -4.489 -1.774 397 HZ2 TRP 48 HZ2 TRP 48 0.025 -5.882 0.039 398 HZ3 TRP 48 HZ3 TRP 48 -3.217 -6.444 -2.678 399 HH2 TRP 48 HH2 TRP 48 -1.048 -7.124 -1.788 400 H LEU 49 HN LEU 49 -4.274 -2.561 3.507 401 HA LEU 49 HA LEU 49 -5.545 -0.241 4.666 402 1HB LEU 49 HB2 LEU 49 -3.992 -2.526 5.618 403 2HB LEU 49 HB1 LEU 49 -3.559 -1.010 6.394 404 HG LEU 49 HG LEU 49 -5.819 -0.676 7.134 405 1HD1 LEU 49 HD11 LEU 49 -6.514 -3.234 5.722 406 2HD1 LEU 49 HD12 LEU 49 -6.954 -1.615 5.182 407 3HD1 LEU 49 HD13 LEU 49 -7.599 -2.245 6.698 408 1HD2 LEU 49 HD21 LEU 49 -4.324 -2.142 8.463 409 2HD2 LEU 49 HD22 LEU 49 -5.062 -3.536 7.676 410 3HD2 LEU 49 HD23 LEU 49 -6.038 -2.478 8.695 411 H TYR 50 HN TYR 50 -4.582 1.668 5.059 412 HA TYR 50 HA TYR 50 -2.494 2.430 3.324 413 1HB TYR 50 HB2 TYR 50 -4.354 3.915 4.182 414 2HB TYR 50 HB1 TYR 50 -3.478 4.003 5.706 415 HD1 TYR 50 HD1 TYR 50 -3.321 4.862 2.105 416 HD2 TYR 50 HD2 TYR 50 -1.592 5.403 5.960 417 HE1 TYR 50 HE1 TYR 50 -1.981 6.740 1.240 418 HE2 TYR 50 HE2 TYR 50 -0.261 7.285 5.107 419 HH TYR 50 HH TYR 50 0.542 8.221 3.128 420 H ARG 51 HN ARG 51 -2.567 1.412 6.663 421 HA ARG 51 HA ARG 51 -0.096 2.232 7.561 422 1HB ARG 51 HB2 ARG 51 -0.143 0.415 9.125 423 2HB ARG 51 HB1 ARG 51 -1.779 1.031 8.932 424 1HG ARG 51 HG2 ARG 51 -2.408 -0.817 7.593 425 2HG ARG 51 HG1 ARG 51 -0.732 -1.360 7.455 426 1HD ARG 51 HD2 ARG 51 -1.854 -2.743 9.055 427 2HD ARG 51 HD1 ARG 51 -0.713 -1.715 9.915 428 HE ARG 51 HE ARG 51 -3.570 -1.032 9.760 429 1HH1 ARG 51 HH11 ARG 51 -0.651 -1.550 11.617 430 2HH1 ARG 51 HH12 ARG 51 -1.417 -1.182 13.142 431 1HH2 ARG 51 HH21 ARG 51 -4.571 -0.533 11.734 432 2HH2 ARG 51 HH22 ARG 51 -3.636 -0.608 13.207 433 H ASP 52 HN ASP 52 -0.858 -0.611 5.580 434 HA ASP 52 HA ASP 52 1.724 -1.673 5.399 435 1HB ASP 52 HB2 ASP 52 -0.346 -1.713 3.191 436 2HB ASP 52 HB1 ASP 52 0.924 -2.895 3.486 437 H HIS 53 HN HIS 53 0.117 0.918 3.720 438 HA HIS 53 HA HIS 53 2.154 1.363 1.770 439 1HB HIS 53 HB2 HIS 53 -0.059 3.151 2.794 440 2HB HIS 53 HB1 HIS 53 1.062 3.632 1.530 441 HD1 HIS 53 HD1 HIS 53 -0.861 3.867 -0.172 442 HD2 HIS 53 HD2 HIS 53 -0.382 0.025 1.384 443 HE1 HIS 53 HE1 HIS 53 -2.380 2.367 -1.529 444 HE2 HIS 53 HE2 HIS 53 -2.098 0.072 -0.543 445 H CYS 54 HN CYS 54 1.459 2.568 5.001 446 HA CYS 54 HA CYS 54 3.219 4.718 5.096 447 1HB CYS 54 HB2 CYS 54 2.481 2.790 7.310 448 2HB CYS 54 HB1 CYS 54 3.281 4.338 7.553 449 HG CYS 54 HG CYS 54 0.723 5.160 5.862 450 H GLU 55 HN GLU 55 3.821 1.304 5.900 451 HA GLU 55 HA GLU 55 6.555 1.734 6.481 452 1HB GLU 55 HB2 GLU 55 4.894 -0.700 6.009 453 2HB GLU 55 HB1 GLU 55 6.647 -0.833 6.114 454 1HG GLU 55 HG2 GLU 55 4.760 0.195 8.213 455 2HG GLU 55 HG1 GLU 55 5.759 -1.258 8.270 456 H PHE 56 HN PHE 56 4.906 0.660 3.494 457 HA PHE 56 HA PHE 56 7.358 0.119 2.199 458 1HB PHE 56 HB2 PHE 56 6.116 -0.568 0.448 459 2HB PHE 56 HB1 PHE 56 4.764 -0.376 1.550 460 HD1 PHE 56 HD1 PHE 56 6.671 1.432 -1.092 461 HD2 PHE 56 HD2 PHE 56 2.992 0.984 0.986 462 HE1 PHE 56 HE1 PHE 56 5.589 2.923 -2.708 463 HE2 PHE 56 HE2 PHE 56 1.900 2.485 -0.629 464 HZ PHE 56 HZ PHE 56 3.199 3.457 -2.474 465 H LYS 57 HN LYS 57 5.315 3.006 2.236 466 HA LYS 57 HA LYS 57 6.972 4.653 0.686 467 1HB LYS 57 HB2 LYS 57 5.171 5.332 3.012 468 2HB LYS 57 HB1 LYS 57 5.932 6.533 1.974 469 1HG LYS 57 HG2 LYS 57 4.071 4.380 1.000 470 2HG LYS 57 HG1 LYS 57 3.582 6.035 1.377 471 1HD LYS 57 HD2 LYS 57 5.807 5.486 -0.550 472 2HD LYS 57 HD1 LYS 57 4.121 5.408 -1.072 473 1HE LYS 57 HE2 LYS 57 5.460 7.787 0.217 474 2HE LYS 57 HE1 LYS 57 5.123 7.607 -1.506 475 1HZ LYS 57 HZ1 LYS 57 2.715 7.345 -0.822 476 2HZ LYS 57 HZ2 LYS 57 3.380 8.897 -0.649 477 3HZ LYS 57 HZ3 LYS 57 3.185 7.908 0.711 478 H ASN 58 HN ASN 58 7.304 3.433 3.869 479 HA ASN 58 HA ASN 58 9.155 5.385 4.855 480 1HB ASN 58 HB2 ASN 58 7.724 4.238 6.413 481 2HB ASN 58 HB1 ASN 58 8.269 2.664 5.823 482 1HD2 ASN 58 HD21 ASN 58 8.877 2.015 7.859 483 2HD2 ASN 58 HD22 ASN 58 10.285 2.637 8.649 484 H LYS 59 HN LYS 59 9.436 1.945 3.935 485 HA LYS 59 HA LYS 59 12.206 1.719 4.252 486 1HB LYS 59 HB2 LYS 59 11.964 -0.203 2.650 487 2HB LYS 59 HB1 LYS 59 10.850 -0.240 4.015 488 1HG LYS 59 HG2 LYS 59 9.144 0.823 2.535 489 2HG LYS 59 HG1 LYS 59 10.257 0.580 1.190 490 1HD LYS 59 HD2 LYS 59 9.500 -1.702 2.942 491 2HD LYS 59 HD1 LYS 59 8.412 -1.155 1.666 492 1HE LYS 59 HE2 LYS 59 10.078 -1.514 -0.008 493 2HE LYS 59 HE1 LYS 59 11.300 -1.868 1.223 494 1HZ LYS 59 HZ1 LYS 59 10.273 -3.882 1.762 495 2HZ LYS 59 HZ2 LYS 59 10.262 -3.839 0.068 496 3HZ LYS 59 HZ3 LYS 59 8.844 -3.494 0.936 497 H LEU 60 HN LEU 60 10.267 2.790 1.530 498 HA LEU 60 HA LEU 60 12.459 3.106 -0.262 499 1HB LEU 60 HB2 LEU 60 9.624 4.063 -0.218 500 2HB LEU 60 HB1 LEU 60 10.736 4.582 -1.472 501 HG LEU 60 HG LEU 60 10.341 1.652 -0.921 502 1HD1 LEU 60 HD11 LEU 60 8.566 1.566 -2.502 503 2HD1 LEU 60 HD12 LEU 60 8.690 3.296 -2.838 504 3HD1 LEU 60 HD13 LEU 60 8.117 2.738 -1.263 505 1HD2 LEU 60 HD21 LEU 60 12.203 2.375 -2.320 506 2HD2 LEU 60 HD22 LEU 60 11.084 3.241 -3.372 507 3HD2 LEU 60 HD23 LEU 60 11.002 1.482 -3.252 508 H LEU 61 HN LEU 61 11.071 5.095 2.211 509 HA LEU 61 HA LEU 61 12.340 7.515 1.296 510 1HB LEU 61 HB2 LEU 61 10.215 7.622 2.476 511 2HB LEU 61 HB1 LEU 61 10.924 6.844 3.875 512 HG LEU 61 HG LEU 61 12.386 8.807 4.204 513 1HD1 LEU 61 HD11 LEU 61 12.512 9.596 1.912 514 2HD1 LEU 61 HD12 LEU 61 11.908 10.872 2.969 515 3HD1 LEU 61 HD13 LEU 61 10.791 9.982 1.932 516 1HD2 LEU 61 HD21 LEU 61 9.437 9.400 4.050 517 2HD2 LEU 61 HD22 LEU 61 10.619 10.333 4.967 518 3HD2 LEU 61 HD23 LEU 61 10.286 8.657 5.404 519 H SER 62 HN SER 62 12.907 5.047 3.733 520 HA SER 62 HA SER 62 15.192 6.486 4.810 521 1HB SER 62 HB2 SER 62 14.010 3.811 5.597 522 2HB SER 62 HB1 SER 62 15.251 4.691 6.489 523 HG SER 62 HG SER 62 12.559 5.008 6.531 524 H ARG 63 HN ARG 63 14.618 3.284 3.308 525 HA ARG 63 HA ARG 63 17.496 2.908 3.027 526 1HB ARG 63 HB2 ARG 63 15.124 1.123 2.517 527 2HB ARG 63 HB1 ARG 63 16.745 0.685 1.996 528 1HG ARG 63 HG2 ARG 63 17.493 0.877 4.354 529 2HG ARG 63 HG1 ARG 63 15.813 1.155 4.821 530 1HD ARG 63 HD2 ARG 63 16.747 -1.273 3.303 531 2HD ARG 63 HD1 ARG 63 16.634 -1.213 5.060 532 HE ARG 63 HE ARG 63 14.194 -0.704 4.668 533 1HH1 ARG 63 HH11 ARG 63 16.102 -2.524 2.341 534 2HH1 ARG 63 HH12 ARG 63 14.748 -3.459 1.776 535 1HH2 ARG 63 HH21 ARG 63 12.433 -1.995 3.957 536 2HH2 ARG 63 HH22 ARG 63 12.684 -3.193 2.726 537 H ALA 64 HN ALA 64 14.645 3.429 1.079 538 HA ALA 64 HA ALA 64 14.298 4.018 -1.066 539 1HB ALA 64 HB1 ALA 64 17.260 4.530 -1.224 540 2HB ALA 64 HB2 ALA 64 16.064 5.681 -0.631 541 3HB ALA 64 HB3 ALA 64 16.017 5.149 -2.314 542 H ASN 65 HN ASN 65 13.696 2.535 -2.438 543 HA ASN 65 HA ASN 65 15.581 0.384 -3.159 544 1HB ASN 65 HB2 ASN 65 12.546 0.359 -3.217 545 2HB ASN 65 HB1 ASN 65 13.566 -0.947 -3.795 546 1HD2 ASN 65 HD21 ASN 65 14.048 0.952 -0.869 547 2HD2 ASN 65 HD22 ASN 65 13.839 -0.364 0.227 548 H GLY 66 HN GLY 66 15.647 -0.258 -5.378 549 1HA GLY 66 HA2 GLY 66 14.171 0.688 -7.483 550 2HA GLY 66 HA1 GLY 66 15.366 1.943 -7.191 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -14.105 13.067 -4.264 2 2H MET 1 HT2 MET 1 -14.399 14.244 -5.445 3 3H MET 1 HT3 MET 1 -13.208 14.506 -4.268 4 HA MET 1 HA MET 1 -13.163 12.432 -6.381 5 1HB MET 1 HB2 MET 1 -11.585 14.986 -6.032 6 2HB MET 1 HB1 MET 1 -11.130 13.713 -7.153 7 1HG MET 1 HG2 MET 1 -12.254 15.287 -8.454 8 2HG MET 1 HG1 MET 1 -13.433 14.007 -8.181 9 1HE MET 1 HE1 MET 1 -12.201 16.917 -5.809 10 2HE MET 1 HE2 MET 1 -13.464 18.116 -6.083 11 3HE MET 1 HE3 MET 1 -12.366 17.680 -7.392 12 H GLN 2 HN GLN 2 -11.340 13.992 -3.737 13 HA GLN 2 HA GLN 2 -9.466 11.753 -3.734 14 1HB GLN 2 HB2 GLN 2 -9.498 14.254 -2.034 15 2HB GLN 2 HB1 GLN 2 -8.200 13.070 -2.103 16 1HG GLN 2 HG2 GLN 2 -7.888 13.616 -4.495 17 2HG GLN 2 HG1 GLN 2 -9.114 14.872 -4.336 18 1HE2 GLN 2 HE21 GLN 2 -8.221 15.558 -1.617 19 2HE2 GLN 2 HE22 GLN 2 -6.748 16.444 -1.816 20 H HIS 3 HN HIS 3 -9.411 10.184 -2.219 21 HA HIS 3 HA HIS 3 -11.436 10.292 -0.101 22 1HB HIS 3 HB2 HIS 3 -9.911 7.924 -1.216 23 2HB HIS 3 HB1 HIS 3 -11.142 7.846 0.034 24 HD1 HIS 3 HD1 HIS 3 -10.661 7.907 -3.593 25 HD2 HIS 3 HD2 HIS 3 -13.809 8.446 -0.933 26 HE1 HIS 3 HE1 HIS 3 -12.751 7.738 -4.978 27 HE2 HIS 3 HE2 HIS 3 -14.626 8.270 -3.380 28 H GLU 4 HN GLU 4 -10.692 10.942 1.782 29 HA GLU 4 HA GLU 4 -7.836 10.598 2.357 30 1HB GLU 4 HB2 GLU 4 -9.863 12.536 3.482 31 2HB GLU 4 HB1 GLU 4 -8.181 12.437 3.998 32 1HG GLU 4 HG2 GLU 4 -7.419 13.066 1.802 33 2HG GLU 4 HG1 GLU 4 -9.072 13.036 1.186 34 H LEU 5 HN LEU 5 -7.159 9.949 4.442 35 HA LEU 5 HA LEU 5 -9.034 8.656 6.191 36 1HB LEU 5 HB2 LEU 5 -7.898 6.375 5.739 37 2HB LEU 5 HB1 LEU 5 -9.202 6.914 4.705 38 HG LEU 5 HG LEU 5 -7.654 7.496 2.946 39 1HD1 LEU 5 HD11 LEU 5 -5.796 8.309 4.316 40 2HD1 LEU 5 HD12 LEU 5 -5.262 7.127 3.122 41 3HD1 LEU 5 HD13 LEU 5 -5.445 6.655 4.811 42 1HD2 LEU 5 HD21 LEU 5 -8.307 5.246 2.841 43 2HD2 LEU 5 HD22 LEU 5 -7.250 4.794 4.180 44 3HD2 LEU 5 HD23 LEU 5 -6.552 5.233 2.618 45 H GLN 6 HN GLN 6 -7.903 7.314 7.844 46 HA GLN 6 HA GLN 6 -5.301 8.487 8.523 47 1HB GLN 6 HB2 GLN 6 -5.792 7.867 10.814 48 2HB GLN 6 HB1 GLN 6 -7.122 8.799 10.151 49 1HG GLN 6 HG2 GLN 6 -8.395 6.754 9.807 50 2HG GLN 6 HG1 GLN 6 -7.050 5.807 10.453 51 1HE2 GLN 6 HE21 GLN 6 -6.469 6.076 12.618 52 2HE2 GLN 6 HE22 GLN 6 -7.620 6.638 13.788 53 HA PRO 7 HA PRO 7 -2.573 4.999 8.317 54 1HB PRO 7 HB2 PRO 7 -3.269 4.601 11.216 55 2HB PRO 7 HB1 PRO 7 -1.706 4.392 10.409 56 1HG PRO 7 HG2 PRO 7 -2.298 6.656 11.706 57 2HG PRO 7 HG1 PRO 7 -1.355 6.669 10.205 58 1HD PRO 7 HD2 PRO 7 -4.074 7.637 10.690 59 2HD PRO 7 HD1 PRO 7 -2.998 7.963 9.322 60 H ASP 8 HN ASP 8 -5.370 4.128 10.414 61 HA ASP 8 HA ASP 8 -5.386 1.528 9.039 62 1HB ASP 8 HB2 ASP 8 -5.368 1.595 11.564 63 2HB ASP 8 HB1 ASP 8 -6.980 2.303 11.491 64 H SER 9 HN SER 9 -6.504 1.657 7.249 65 HA SER 9 HA SER 9 -9.285 2.005 7.181 66 1HB SER 9 HB2 SER 9 -8.571 4.424 7.410 67 2HB SER 9 HB1 SER 9 -7.761 4.265 5.852 68 HG SER 9 HG SER 9 -10.355 4.722 6.370 69 H LEU 10 HN LEU 10 -9.815 2.413 4.592 70 HA LEU 10 HA LEU 10 -8.237 0.267 3.358 71 1HB LEU 10 HB2 LEU 10 -10.264 -0.283 2.050 72 2HB LEU 10 HB1 LEU 10 -10.461 -0.498 3.775 73 HG LEU 10 HG LEU 10 -11.395 2.055 2.526 74 1HD1 LEU 10 HD11 LEU 10 -12.890 -0.565 2.475 75 2HD1 LEU 10 HD12 LEU 10 -12.301 0.333 1.074 76 3HD1 LEU 10 HD13 LEU 10 -13.574 1.014 2.087 77 1HD2 LEU 10 HD21 LEU 10 -12.432 0.351 4.792 78 2HD2 LEU 10 HD22 LEU 10 -13.063 1.922 4.300 79 3HD2 LEU 10 HD23 LEU 10 -11.437 1.793 4.965 80 H VAL 11 HN VAL 11 -6.987 0.858 1.807 81 HA VAL 11 HA VAL 11 -7.730 3.084 0.030 82 HB VAL 11 HB VAL 11 -5.401 3.123 -0.680 83 1HG1 VAL 11 HG11 VAL 11 -5.954 4.475 1.234 84 2HG1 VAL 11 HG12 VAL 11 -4.334 3.804 1.429 85 3HG1 VAL 11 HG13 VAL 11 -5.690 3.107 2.317 86 1HG2 VAL 11 HG21 VAL 11 -3.710 1.721 0.414 87 2HG2 VAL 11 HG22 VAL 11 -4.870 0.770 -0.514 88 3HG2 VAL 11 HG23 VAL 11 -4.993 0.842 1.246 89 H ASP 12 HN ASP 12 -7.075 2.729 -2.297 90 HA ASP 12 HA ASP 12 -7.802 -0.007 -3.075 91 1HB ASP 12 HB2 ASP 12 -9.356 1.851 -3.752 92 2HB ASP 12 HB1 ASP 12 -8.053 2.530 -4.715 93 H LEU 13 HN LEU 13 -6.853 -0.748 -5.180 94 HA LEU 13 HA LEU 13 -4.021 -0.605 -5.095 95 1HB LEU 13 HB2 LEU 13 -6.004 -1.753 -7.014 96 2HB LEU 13 HB1 LEU 13 -4.300 -1.726 -7.413 97 HG LEU 13 HG LEU 13 -3.877 -3.033 -5.301 98 1HD1 LEU 13 HD11 LEU 13 -6.877 -3.303 -5.336 99 2HD1 LEU 13 HD12 LEU 13 -5.902 -2.528 -4.088 100 3HD1 LEU 13 HD13 LEU 13 -5.777 -4.267 -4.351 101 1HD2 LEU 13 HD21 LEU 13 -3.893 -4.081 -7.489 102 2HD2 LEU 13 HD22 LEU 13 -5.640 -4.292 -7.392 103 3HD2 LEU 13 HD23 LEU 13 -4.584 -5.156 -6.277 104 H LYS 14 HN LYS 14 -6.485 0.837 -7.150 105 HA LYS 14 HA LYS 14 -4.788 2.111 -9.008 106 1HB LYS 14 HB2 LYS 14 -7.221 1.809 -9.311 107 2HB LYS 14 HB1 LYS 14 -7.522 2.919 -7.984 108 1HG LYS 14 HG2 LYS 14 -6.487 4.727 -9.287 109 2HG LYS 14 HG1 LYS 14 -6.258 3.602 -10.629 110 1HD LYS 14 HD2 LYS 14 -8.656 3.250 -10.773 111 2HD LYS 14 HD1 LYS 14 -8.913 4.302 -9.382 112 1HE LYS 14 HE2 LYS 14 -7.994 6.186 -10.645 113 2HE LYS 14 HE1 LYS 14 -7.748 5.132 -12.040 114 1HZ LYS 14 HZ1 LYS 14 -10.124 4.774 -12.163 115 2HZ LYS 14 HZ2 LYS 14 -9.792 6.437 -12.216 116 3HZ LYS 14 HZ3 LYS 14 -10.376 5.734 -10.786 117 H PHE 15 HN PHE 15 -5.932 2.900 -5.839 118 HA PHE 15 HA PHE 15 -5.077 5.566 -5.641 119 1HB PHE 15 HB2 PHE 15 -6.618 4.311 -4.086 120 2HB PHE 15 HB1 PHE 15 -5.192 3.528 -3.423 121 HD1 PHE 15 HD1 PHE 15 -6.260 7.012 -4.240 122 HD2 PHE 15 HD2 PHE 15 -4.406 4.379 -1.463 123 HE1 PHE 15 HE1 PHE 15 -5.940 8.888 -2.681 124 HE2 PHE 15 HE2 PHE 15 -4.080 6.249 0.100 125 HZ PHE 15 HZ PHE 15 -4.797 8.517 -0.525 126 H ILE 16 HN ILE 16 -3.493 2.536 -4.649 127 HA ILE 16 HA ILE 16 -1.084 3.517 -3.725 128 HB ILE 16 HB ILE 16 -1.129 1.054 -5.445 129 1HG1 ILE 16 HG12 ILE 16 -2.157 1.261 -2.602 130 2HG1 ILE 16 HG11 ILE 16 -3.156 0.975 -4.017 131 1HG2 ILE 16 HG21 ILE 16 0.999 1.757 -4.534 132 2HG2 ILE 16 HG22 ILE 16 0.470 0.282 -3.722 133 3HG2 ILE 16 HG23 ILE 16 0.309 1.838 -2.913 134 1HD1 ILE 16 HD11 ILE 16 -2.764 -1.073 -2.782 135 2HD1 ILE 16 HD12 ILE 16 -1.025 -0.870 -2.965 136 3HD1 ILE 16 HD13 ILE 16 -2.032 -1.162 -4.383 137 H MET 17 HN MET 17 -1.992 2.694 -7.040 138 HA MET 17 HA MET 17 0.458 3.311 -8.258 139 1HB MET 17 HB2 MET 17 -2.328 3.464 -9.425 140 2HB MET 17 HB1 MET 17 -0.836 3.483 -10.356 141 1HG MET 17 HG2 MET 17 -0.305 1.237 -9.437 142 2HG MET 17 HG1 MET 17 -1.893 1.226 -8.672 143 1HE MET 17 HE1 MET 17 -1.246 1.382 -13.237 144 2HE MET 17 HE2 MET 17 0.069 1.313 -12.066 145 3HE MET 17 HE3 MET 17 -0.947 2.752 -12.168 146 H ALA 18 HN ALA 18 -2.178 5.323 -7.210 147 HA ALA 18 HA ALA 18 -1.377 7.662 -8.622 148 1HB ALA 18 HB1 ALA 18 -2.944 8.843 -7.198 149 2HB ALA 18 HB2 ALA 18 -3.077 7.433 -6.148 150 3HB ALA 18 HB3 ALA 18 -3.663 7.352 -7.810 151 H ASP 19 HN ASP 19 -0.861 6.523 -5.264 152 HA ASP 19 HA ASP 19 0.507 8.915 -4.527 153 1HB ASP 19 HB2 ASP 19 0.830 7.991 -2.401 154 2HB ASP 19 HB1 ASP 19 -0.689 7.295 -2.940 155 H THR 20 HN THR 20 1.544 5.939 -5.996 156 HA THR 20 HA THR 20 4.333 6.838 -5.738 157 HB THR 20 HB THR 20 4.879 4.531 -6.658 158 HG1 THR 20 HG1 THR 20 2.222 3.910 -5.832 159 1HG2 THR 20 HG21 THR 20 5.147 5.102 -4.298 160 2HG2 THR 20 HG22 THR 20 4.594 3.439 -4.493 161 3HG2 THR 20 HG23 THR 20 3.456 4.697 -4.004 162 H GLY 21 HN GLY 21 2.702 4.918 -8.211 163 1HA GLY 21 HA2 GLY 21 2.291 6.138 -10.403 164 2HA GLY 21 HA1 GLY 21 3.975 6.619 -10.261 165 H PHE 22 HN PHE 22 3.166 3.469 -9.138 166 HA PHE 22 HA PHE 22 4.355 2.325 -11.575 167 1HB PHE 22 HB2 PHE 22 4.834 1.437 -8.725 168 2HB PHE 22 HB1 PHE 22 5.531 0.704 -10.168 169 HD1 PHE 22 HD1 PHE 22 5.766 3.382 -7.763 170 HD2 PHE 22 HD2 PHE 22 7.184 1.963 -11.513 171 HE1 PHE 22 HE1 PHE 22 7.676 4.927 -7.617 172 HE2 PHE 22 HE2 PHE 22 9.098 3.504 -11.379 173 HZ PHE 22 HZ PHE 22 9.344 4.988 -9.428 174 H GLY 23 HN GLY 23 4.088 -0.227 -11.372 175 1HA GLY 23 HA2 GLY 23 1.191 -0.586 -11.308 176 2HA GLY 23 HA1 GLY 23 2.350 -1.623 -12.117 177 H LYS 24 HN LYS 24 0.451 -2.823 -10.834 178 HA LYS 24 HA LYS 24 0.362 -3.353 -8.185 179 1HB LYS 24 HB2 LYS 24 0.193 -5.434 -10.362 180 2HB LYS 24 HB1 LYS 24 -0.504 -5.553 -8.751 181 1HG LYS 24 HG2 LYS 24 -2.012 -3.746 -9.213 182 2HG LYS 24 HG1 LYS 24 -1.242 -3.456 -10.770 183 1HD LYS 24 HD2 LYS 24 -2.673 -5.998 -10.003 184 2HD LYS 24 HD1 LYS 24 -3.385 -4.690 -10.946 185 1HE LYS 24 HE2 LYS 24 -1.018 -6.393 -11.711 186 2HE LYS 24 HE1 LYS 24 -2.626 -6.442 -12.426 187 1HZ LYS 24 HZ1 LYS 24 -1.209 -5.211 -13.862 188 2HZ LYS 24 HZ2 LYS 24 -0.651 -4.234 -12.599 189 3HZ LYS 24 HZ3 LYS 24 -2.257 -4.092 -13.129 190 H THR 25 HN THR 25 2.593 -4.915 -10.452 191 HA THR 25 HA THR 25 3.683 -6.789 -8.717 192 HB THR 25 HB THR 25 4.138 -6.926 -11.074 193 HG1 THR 25 HG1 THR 25 6.086 -7.739 -10.786 194 1HG2 THR 25 HG21 THR 25 5.727 -4.374 -10.767 195 2HG2 THR 25 HG22 THR 25 4.197 -4.553 -11.628 196 3HG2 THR 25 HG23 THR 25 5.646 -5.360 -12.226 197 H PHE 26 HN PHE 26 4.787 -3.462 -9.318 198 HA PHE 26 HA PHE 26 6.982 -3.441 -7.578 199 1HB PHE 26 HB2 PHE 26 6.886 -1.640 -9.051 200 2HB PHE 26 HB1 PHE 26 5.172 -1.374 -8.776 201 HD1 PHE 26 HD1 PHE 26 4.410 -0.032 -6.913 202 HD2 PHE 26 HD2 PHE 26 8.548 -0.746 -7.570 203 HE1 PHE 26 HE1 PHE 26 4.972 1.772 -5.325 204 HE2 PHE 26 HE2 PHE 26 9.120 1.050 -5.994 205 HZ PHE 26 HZ PHE 26 7.252 2.373 -4.912 206 H ILE 27 HN ILE 27 3.578 -2.665 -7.119 207 HA ILE 27 HA ILE 27 3.676 -1.665 -4.526 208 HB ILE 27 HB ILE 27 1.445 -3.222 -5.831 209 1HG1 ILE 27 HG12 ILE 27 1.892 -0.235 -5.712 210 2HG1 ILE 27 HG11 ILE 27 2.294 -1.239 -7.102 211 1HG2 ILE 27 HG21 ILE 27 -0.021 -2.010 -4.274 212 2HG2 ILE 27 HG22 ILE 27 1.400 -1.308 -3.499 213 3HG2 ILE 27 HG23 ILE 27 1.126 -3.049 -3.429 214 1HD1 ILE 27 HD11 ILE 27 -0.442 -0.763 -5.953 215 2HD1 ILE 27 HD12 ILE 27 -0.080 -1.879 -7.272 216 3HD1 ILE 27 HD13 ILE 27 0.200 -0.146 -7.479 217 H TYR 28 HN TYR 28 2.740 -4.965 -5.513 218 HA TYR 28 HA TYR 28 2.409 -5.927 -2.915 219 1HB TYR 28 HB2 TYR 28 3.014 -7.345 -5.512 220 2HB TYR 28 HB1 TYR 28 2.711 -8.213 -4.011 221 HD1 TYR 28 HD1 TYR 28 1.076 -5.300 -5.743 222 HD2 TYR 28 HD2 TYR 28 0.597 -9.141 -3.967 223 HE1 TYR 28 HE1 TYR 28 -1.340 -5.194 -6.173 224 HE2 TYR 28 HE2 TYR 28 -1.813 -9.047 -4.403 225 HH TYR 28 HH TYR 28 -3.543 -7.524 -4.855 226 H ASP 29 HN ASP 29 5.291 -5.857 -4.968 227 HA ASP 29 HA ASP 29 6.977 -7.342 -3.242 228 1HB ASP 29 HB2 ASP 29 7.560 -6.875 -5.588 229 2HB ASP 29 HB1 ASP 29 7.692 -5.160 -5.217 230 H ARG 30 HN ARG 30 6.488 -3.840 -3.611 231 HA ARG 30 HA ARG 30 8.371 -3.056 -1.668 232 1HB ARG 30 HB2 ARG 30 5.892 -1.627 -2.628 233 2HB ARG 30 HB1 ARG 30 7.151 -0.892 -1.652 234 1HG ARG 30 HG2 ARG 30 7.596 -2.045 -4.387 235 2HG ARG 30 HG1 ARG 30 7.243 -0.350 -4.068 236 1HD ARG 30 HD2 ARG 30 9.509 -0.249 -4.137 237 2HD ARG 30 HD1 ARG 30 9.293 -0.609 -2.424 238 HE ARG 30 HE ARG 30 9.715 -2.974 -3.050 239 1HH1 ARG 30 HH11 ARG 30 10.988 -0.355 -4.996 240 2HH1 ARG 30 HH12 ARG 30 12.183 -1.340 -5.778 241 1HH2 ARG 30 HH21 ARG 30 11.266 -4.291 -4.094 242 2HH2 ARG 30 HH22 ARG 30 12.338 -3.582 -5.269 243 H ILE 31 HN ILE 31 4.856 -3.543 -1.448 244 HA ILE 31 HA ILE 31 4.731 -2.471 1.171 245 HB ILE 31 HB ILE 31 2.715 -3.925 -0.512 246 1HG1 ILE 31 HG12 ILE 31 1.507 -1.730 -0.222 247 2HG1 ILE 31 HG11 ILE 31 2.932 -1.118 0.620 248 1HG2 ILE 31 HG21 ILE 31 1.059 -3.616 1.227 249 2HG2 ILE 31 HG22 ILE 31 2.274 -2.911 2.292 250 3HG2 ILE 31 HG23 ILE 31 2.386 -4.611 1.834 251 1HD1 ILE 31 HD11 ILE 31 2.858 -2.061 -2.232 252 2HD1 ILE 31 HD12 ILE 31 4.244 -1.368 -1.392 253 3HD1 ILE 31 HD13 ILE 31 2.813 -0.383 -1.700 254 H LYS 32 HN LYS 32 4.919 -5.809 -0.034 255 HA LYS 32 HA LYS 32 4.488 -7.027 2.470 256 1HB LYS 32 HB2 LYS 32 6.095 -7.986 0.114 257 2HB LYS 32 HB1 LYS 32 5.737 -8.970 1.529 258 1HG LYS 32 HG2 LYS 32 3.274 -8.018 0.818 259 2HG LYS 32 HG1 LYS 32 4.062 -8.276 -0.737 260 1HD LYS 32 HD2 LYS 32 3.727 -10.279 1.491 261 2HD LYS 32 HD1 LYS 32 2.886 -10.283 -0.059 262 1HE LYS 32 HE2 LYS 32 5.862 -10.620 0.328 263 2HE LYS 32 HE1 LYS 32 4.716 -11.923 0.015 264 1HZ LYS 32 HZ1 LYS 32 4.151 -10.683 -2.089 265 2HZ LYS 32 HZ2 LYS 32 5.683 -11.407 -2.037 266 3HZ LYS 32 HZ3 LYS 32 5.535 -9.737 -1.808 267 H SER 33 HN SER 33 7.531 -6.045 0.892 268 HA SER 33 HA SER 33 9.191 -6.761 3.043 269 1HB SER 33 HB2 SER 33 9.591 -4.659 0.905 270 2HB SER 33 HB1 SER 33 10.843 -5.360 1.915 271 HG SER 33 HG SER 33 9.990 -7.454 1.001 272 H GLY 34 HN GLY 34 7.114 -4.059 2.480 273 1HA GLY 34 HA2 GLY 34 8.218 -2.204 4.286 274 2HA GLY 34 HA1 GLY 34 6.526 -2.285 3.810 275 H ASP 35 HN ASP 35 5.335 -4.238 4.830 276 HA ASP 35 HA ASP 35 6.278 -5.389 7.224 277 1HB ASP 35 HB2 ASP 35 6.026 -3.072 8.095 278 2HB ASP 35 HB1 ASP 35 4.320 -3.117 7.650 279 H LEU 36 HN LEU 36 5.364 -6.904 5.614 280 HA LEU 36 HA LEU 36 3.643 -8.251 4.802 281 1HB LEU 36 HB2 LEU 36 3.451 -8.501 7.799 282 2HB LEU 36 HB1 LEU 36 2.899 -9.691 6.637 283 HG LEU 36 HG LEU 36 5.763 -8.859 7.106 284 1HD1 LEU 36 HD11 LEU 36 4.317 -11.443 7.664 285 2HD1 LEU 36 HD12 LEU 36 4.851 -10.272 8.871 286 3HD1 LEU 36 HD13 LEU 36 6.038 -11.149 7.905 287 1HD2 LEU 36 HD21 LEU 36 6.311 -10.667 5.522 288 2HD2 LEU 36 HD22 LEU 36 5.429 -9.343 4.765 289 3HD2 LEU 36 HD23 LEU 36 4.593 -10.844 5.163 290 HA PRO 37 HA PRO 37 0.401 -5.132 4.654 291 1HB PRO 37 HB2 PRO 37 -0.824 -7.301 3.017 292 2HB PRO 37 HB1 PRO 37 -0.668 -5.578 2.665 293 1HG PRO 37 HG2 PRO 37 0.935 -7.459 1.563 294 2HG PRO 37 HG1 PRO 37 1.459 -5.798 1.869 295 1HD PRO 37 HD2 PRO 37 2.261 -8.280 3.201 296 2HD PRO 37 HD1 PRO 37 3.045 -6.691 3.215 297 H LYS 38 HN LYS 38 -0.979 -4.827 6.224 298 HA LYS 38 HA LYS 38 -2.467 -7.012 7.396 299 1HB LYS 38 HB2 LYS 38 -2.490 -4.039 7.947 300 2HB LYS 38 HB1 LYS 38 -3.491 -5.199 8.809 301 1HG LYS 38 HG2 LYS 38 -1.622 -4.763 10.188 302 2HG LYS 38 HG1 LYS 38 -1.363 -6.364 9.491 303 1HD LYS 38 HD2 LYS 38 0.056 -5.292 7.746 304 2HD LYS 38 HD1 LYS 38 -0.097 -3.767 8.624 305 1HE LYS 38 HE2 LYS 38 1.058 -6.312 9.753 306 2HE LYS 38 HE1 LYS 38 2.005 -4.975 9.112 307 1HZ LYS 38 HZ1 LYS 38 1.867 -4.876 11.508 308 2HZ LYS 38 HZ2 LYS 38 0.175 -4.844 11.447 309 3HZ LYS 38 HZ3 LYS 38 1.068 -3.545 10.826 310 H ALA 39 HN ALA 39 -2.693 -4.989 4.778 311 HA ALA 39 HA ALA 39 -5.278 -4.424 4.237 312 1HB ALA 39 HB1 ALA 39 -3.335 -5.787 2.383 313 2HB ALA 39 HB2 ALA 39 -3.443 -4.052 2.683 314 3HB ALA 39 HB3 ALA 39 -4.775 -4.898 1.893 315 H LYS 40 HN LYS 40 -7.020 -5.533 3.193 316 HA LYS 40 HA LYS 40 -7.125 -8.332 4.070 317 1HB LYS 40 HB2 LYS 40 -9.547 -6.799 3.185 318 2HB LYS 40 HB1 LYS 40 -9.434 -8.130 4.325 319 1HG LYS 40 HG2 LYS 40 -8.704 -5.247 4.776 320 2HG LYS 40 HG1 LYS 40 -9.977 -6.178 5.560 321 1HD LYS 40 HD2 LYS 40 -7.007 -6.637 5.858 322 2HD LYS 40 HD1 LYS 40 -8.048 -5.842 7.037 323 1HE LYS 40 HE2 LYS 40 -9.329 -7.916 7.292 324 2HE LYS 40 HE1 LYS 40 -8.277 -8.706 6.116 325 1HZ LYS 40 HZ1 LYS 40 -7.387 -7.548 8.703 326 2HZ LYS 40 HZ2 LYS 40 -6.406 -8.367 7.591 327 3HZ LYS 40 HZ3 LYS 40 -7.634 -9.199 8.407 328 H VAL 41 HN VAL 41 -5.931 -9.014 2.264 329 HA VAL 41 HA VAL 41 -7.271 -8.796 -0.320 330 HB VAL 41 HB VAL 41 -5.000 -8.105 -0.397 331 1HG1 VAL 41 HG11 VAL 41 -4.186 -9.105 1.645 332 2HG1 VAL 41 HG12 VAL 41 -3.118 -9.501 0.298 333 3HG1 VAL 41 HG13 VAL 41 -4.250 -10.709 0.908 334 1HG2 VAL 41 HG21 VAL 41 -5.690 -9.404 -2.321 335 2HG2 VAL 41 HG22 VAL 41 -5.208 -10.896 -1.513 336 3HG2 VAL 41 HG23 VAL 41 -3.987 -9.708 -1.971 337 H ILE 42 HN ILE 42 -8.718 -10.372 -0.602 338 HA ILE 42 HA ILE 42 -8.075 -13.051 0.403 339 HB ILE 42 HB ILE 42 -10.089 -12.082 1.385 340 1HG1 ILE 42 HG12 ILE 42 -11.678 -13.908 0.851 341 2HG1 ILE 42 HG11 ILE 42 -10.683 -14.340 -0.538 342 1HG2 ILE 42 HG21 ILE 42 -11.176 -11.981 -1.422 343 2HG2 ILE 42 HG22 ILE 42 -10.721 -10.592 -0.436 344 3HG2 ILE 42 HG23 ILE 42 -12.072 -11.615 0.051 345 1HD1 ILE 42 HD11 ILE 42 -10.268 -15.804 1.356 346 2HD1 ILE 42 HD12 ILE 42 -9.806 -14.415 2.339 347 3HD1 ILE 42 HD13 ILE 42 -8.831 -14.869 0.940 348 H HIS 43 HN HIS 43 -8.874 -11.227 -2.422 349 HA HIS 43 HA HIS 43 -8.890 -13.712 -3.991 350 1HB HIS 43 HB2 HIS 43 -11.152 -12.638 -3.776 351 2HB HIS 43 HB1 HIS 43 -10.508 -11.230 -4.607 352 HD1 HIS 43 HD1 HIS 43 -12.031 -11.430 -6.620 353 HD2 HIS 43 HD2 HIS 43 -9.781 -14.857 -5.916 354 HE1 HIS 43 HE1 HIS 43 -12.323 -12.868 -8.664 355 HE2 HIS 43 HE2 HIS 43 -11.159 -15.030 -8.101 356 H GLY 44 HN GLY 44 -6.527 -12.641 -3.624 357 1HA GLY 44 HA2 GLY 44 -4.648 -11.965 -4.774 358 2HA GLY 44 HA1 GLY 44 -5.648 -11.784 -6.209 359 H ARG 45 HN ARG 45 -7.500 -9.970 -5.016 360 HA ARG 45 HA ARG 45 -6.029 -7.765 -3.857 361 1HB ARG 45 HB2 ARG 45 -6.806 -6.120 -5.462 362 2HB ARG 45 HB1 ARG 45 -5.903 -7.361 -6.317 363 1HG ARG 45 HG2 ARG 45 -7.978 -8.386 -7.057 364 2HG ARG 45 HG1 ARG 45 -8.903 -7.178 -6.166 365 1HD ARG 45 HD2 ARG 45 -7.810 -5.417 -7.543 366 2HD ARG 45 HD1 ARG 45 -7.053 -6.693 -8.495 367 HE ARG 45 HE ARG 45 -9.861 -7.058 -8.395 368 1HH1 ARG 45 HH11 ARG 45 -7.383 -5.118 -9.923 369 2HH1 ARG 45 HH12 ARG 45 -8.363 -4.721 -11.303 370 1HH2 ARG 45 HH21 ARG 45 -11.152 -6.538 -10.197 371 2HH2 ARG 45 HH22 ARG 45 -10.501 -5.536 -11.457 372 H ALA 46 HN ALA 46 -7.663 -6.086 -3.108 373 HA ALA 46 HA ALA 46 -10.427 -6.481 -3.258 374 1HB ALA 46 HB1 ALA 46 -9.288 -7.418 -0.624 375 2HB ALA 46 HB2 ALA 46 -9.980 -8.471 -1.857 376 3HB ALA 46 HB3 ALA 46 -10.995 -7.280 -1.045 377 H ARG 47 HN ARG 47 -8.791 -5.771 -0.221 378 HA ARG 47 HA ARG 47 -8.898 -2.909 -0.812 379 1HB ARG 47 HB2 ARG 47 -9.870 -2.463 1.444 380 2HB ARG 47 HB1 ARG 47 -10.978 -3.266 0.342 381 1HG ARG 47 HG2 ARG 47 -10.512 -5.406 1.439 382 2HG ARG 47 HG1 ARG 47 -9.423 -4.584 2.559 383 1HD ARG 47 HD2 ARG 47 -11.660 -4.974 3.519 384 2HD ARG 47 HD1 ARG 47 -11.250 -3.261 3.425 385 HE ARG 47 HE ARG 47 -12.725 -4.216 1.145 386 1HH1 ARG 47 HH11 ARG 47 -13.017 -3.055 4.436 387 2HH1 ARG 47 HH12 ARG 47 -14.599 -2.370 4.195 388 1HH2 ARG 47 HH21 ARG 47 -14.792 -3.308 0.812 389 2HH2 ARG 47 HH22 ARG 47 -15.623 -2.532 2.129 390 H TRP 48 HN TRP 48 -7.157 -1.858 -0.088 391 HA TRP 48 HA TRP 48 -5.211 -3.480 1.405 392 1HB TRP 48 HB2 TRP 48 -4.854 -2.303 -0.984 393 2HB TRP 48 HB1 TRP 48 -4.407 -0.952 0.051 394 HD1 TRP 48 HD1 TRP 48 -2.427 -1.629 1.965 395 HE1 TRP 48 HE1 TRP 48 -0.341 -3.084 1.619 396 HE3 TRP 48 HE3 TRP 48 -3.860 -4.076 -2.285 397 HZ2 TRP 48 HZ2 TRP 48 0.594 -4.998 -0.241 398 HZ3 TRP 48 HZ3 TRP 48 -2.309 -5.698 -3.289 399 HH2 TRP 48 HH2 TRP 48 -0.126 -6.150 -2.288 400 H LEU 49 HN LEU 49 -4.135 -2.572 3.204 401 HA LEU 49 HA LEU 49 -5.616 -0.406 4.454 402 1HB LEU 49 HB2 LEU 49 -3.893 -2.601 5.397 403 2HB LEU 49 HB1 LEU 49 -3.777 -1.102 6.301 404 HG LEU 49 HG LEU 49 -6.255 -1.158 6.598 405 1HD1 LEU 49 HD11 LEU 49 -6.825 -2.570 4.698 406 2HD1 LEU 49 HD12 LEU 49 -7.441 -3.245 6.207 407 3HD1 LEU 49 HD13 LEU 49 -6.000 -3.932 5.460 408 1HD2 LEU 49 HD21 LEU 49 -4.766 -1.913 8.347 409 2HD2 LEU 49 HD22 LEU 49 -4.726 -3.529 7.644 410 3HD2 LEU 49 HD23 LEU 49 -6.229 -2.894 8.314 411 H TYR 50 HN TYR 50 -4.687 1.443 5.252 412 HA TYR 50 HA TYR 50 -2.755 2.567 3.502 413 1HB TYR 50 HB2 TYR 50 -4.682 3.793 4.584 414 2HB TYR 50 HB1 TYR 50 -3.760 3.767 6.083 415 HD1 TYR 50 HD1 TYR 50 -3.860 5.085 2.645 416 HD2 TYR 50 HD2 TYR 50 -1.924 5.269 6.429 417 HE1 TYR 50 HE1 TYR 50 -2.697 7.134 1.945 418 HE2 TYR 50 HE2 TYR 50 -0.767 7.326 5.742 419 HH TYR 50 HH TYR 50 -0.057 8.378 3.497 420 H ARG 51 HN ARG 51 -2.686 1.444 6.834 421 HA ARG 51 HA ARG 51 -0.231 2.293 7.690 422 1HB ARG 51 HB2 ARG 51 -0.175 0.406 9.183 423 2HB ARG 51 HB1 ARG 51 -1.819 1.021 9.069 424 1HG ARG 51 HG2 ARG 51 -2.482 -0.786 7.675 425 2HG ARG 51 HG1 ARG 51 -0.808 -1.322 7.480 426 1HD ARG 51 HD2 ARG 51 -1.835 -2.761 9.060 427 2HD ARG 51 HD1 ARG 51 -0.748 -1.704 9.953 428 HE ARG 51 HE ARG 51 -3.649 -1.212 9.812 429 1HH1 ARG 51 HH11 ARG 51 -0.671 -1.498 11.638 430 2HH1 ARG 51 HH12 ARG 51 -1.428 -1.120 13.161 431 1HH2 ARG 51 HH21 ARG 51 -4.649 -0.736 11.792 432 2HH2 ARG 51 HH22 ARG 51 -3.687 -0.667 13.239 433 H ASP 52 HN ASP 52 -0.893 -0.504 5.615 434 HA ASP 52 HA ASP 52 1.725 -1.515 5.533 435 1HB ASP 52 HB2 ASP 52 -0.211 -1.692 3.230 436 2HB ASP 52 HB1 ASP 52 1.026 -2.847 3.712 437 H HIS 53 HN HIS 53 0.100 1.015 3.782 438 HA HIS 53 HA HIS 53 2.133 1.408 1.823 439 1HB HIS 53 HB2 HIS 53 -0.057 3.233 2.834 440 2HB HIS 53 HB1 HIS 53 1.068 3.700 1.566 441 HD1 HIS 53 HD1 HIS 53 -0.834 3.892 -0.182 442 HD2 HIS 53 HD2 HIS 53 -0.418 0.100 1.484 443 HE1 HIS 53 HE1 HIS 53 -2.325 2.378 -1.545 444 HE2 HIS 53 HE2 HIS 53 -1.902 0.070 -0.626 445 H CYS 54 HN CYS 54 1.393 2.825 4.983 446 HA CYS 54 HA CYS 54 3.336 4.818 5.027 447 1HB CYS 54 HB2 CYS 54 2.325 3.137 7.332 448 2HB CYS 54 HB1 CYS 54 3.203 4.654 7.493 449 HG CYS 54 HG CYS 54 1.232 6.287 7.017 450 H GLU 55 HN GLU 55 3.554 1.417 5.998 451 HA GLU 55 HA GLU 55 6.232 1.536 6.879 452 1HB GLU 55 HB2 GLU 55 4.714 -0.849 5.827 453 2HB GLU 55 HB1 GLU 55 6.185 -0.889 6.794 454 1HG GLU 55 HG2 GLU 55 3.489 0.119 7.678 455 2HG GLU 55 HG1 GLU 55 4.257 -1.396 8.154 456 H PHE 56 HN PHE 56 4.790 0.486 3.793 457 HA PHE 56 HA PHE 56 7.245 -0.239 2.642 458 1HB PHE 56 HB2 PHE 56 5.987 -1.019 0.970 459 2HB PHE 56 HB1 PHE 56 4.603 -0.515 1.927 460 HD1 PHE 56 HD1 PHE 56 6.897 0.568 -0.766 461 HD2 PHE 56 HD2 PHE 56 3.139 1.103 1.144 462 HE1 PHE 56 HE1 PHE 56 6.189 2.046 -2.591 463 HE2 PHE 56 HE2 PHE 56 2.420 2.587 -0.678 464 HZ PHE 56 HZ PHE 56 3.952 3.065 -2.536 465 H LYS 57 HN LYS 57 5.340 2.751 2.320 466 HA LYS 57 HA LYS 57 7.002 4.167 0.582 467 1HB LYS 57 HB2 LYS 57 5.366 5.200 2.910 468 2HB LYS 57 HB1 LYS 57 6.078 6.212 1.661 469 1HG LYS 57 HG2 LYS 57 4.126 4.015 1.076 470 2HG LYS 57 HG1 LYS 57 3.647 5.685 1.385 471 1HD LYS 57 HD2 LYS 57 5.688 5.007 -0.694 472 2HD LYS 57 HD1 LYS 57 3.960 4.923 -1.055 473 1HE LYS 57 HE2 LYS 57 3.920 7.321 -0.053 474 2HE LYS 57 HE1 LYS 57 5.655 7.283 -0.375 475 1HZ LYS 57 HZ1 LYS 57 5.235 6.910 -2.686 476 2HZ LYS 57 HZ2 LYS 57 4.318 8.251 -2.199 477 3HZ LYS 57 HZ3 LYS 57 3.565 6.744 -2.420 478 H ASN 58 HN ASN 58 7.137 3.659 4.015 479 HA ASN 58 HA ASN 58 9.113 5.436 4.772 480 1HB ASN 58 HB2 ASN 58 7.772 4.288 6.391 481 2HB ASN 58 HB1 ASN 58 8.314 2.717 5.808 482 1HD2 ASN 58 HD21 ASN 58 8.986 2.049 7.772 483 2HD2 ASN 58 HD22 ASN 58 10.388 2.682 8.570 484 H LYS 59 HN LYS 59 9.444 2.153 3.449 485 HA LYS 59 HA LYS 59 12.285 2.105 3.957 486 1HB LYS 59 HB2 LYS 59 12.221 -0.104 3.347 487 2HB LYS 59 HB1 LYS 59 10.537 0.125 3.799 488 1HG LYS 59 HG2 LYS 59 10.271 0.722 1.258 489 2HG LYS 59 HG1 LYS 59 11.752 -0.228 1.110 490 1HD LYS 59 HD2 LYS 59 10.528 -2.000 2.482 491 2HD LYS 59 HD1 LYS 59 9.065 -1.075 2.120 492 1HE LYS 59 HE2 LYS 59 9.296 -2.822 0.482 493 2HE LYS 59 HE1 LYS 59 9.604 -1.267 -0.297 494 1HZ LYS 59 HZ1 LYS 59 11.882 -1.685 -0.392 495 2HZ LYS 59 HZ2 LYS 59 11.186 -3.181 -0.796 496 3HZ LYS 59 HZ3 LYS 59 11.812 -2.929 0.761 497 H LEU 60 HN LEU 60 10.155 2.836 1.289 498 HA LEU 60 HA LEU 60 12.248 2.973 -0.665 499 1HB LEU 60 HB2 LEU 60 9.380 3.865 -0.607 500 2HB LEU 60 HB1 LEU 60 10.437 4.310 -1.934 501 HG LEU 60 HG LEU 60 9.731 1.472 -1.129 502 1HD1 LEU 60 HD11 LEU 60 8.918 3.090 -3.528 503 2HD1 LEU 60 HD12 LEU 60 7.883 2.709 -2.152 504 3HD1 LEU 60 HD13 LEU 60 8.490 1.414 -3.186 505 1HD2 LEU 60 HD21 LEU 60 12.005 1.696 -2.045 506 2HD2 LEU 60 HD22 LEU 60 11.334 2.492 -3.468 507 3HD2 LEU 60 HD23 LEU 60 10.926 0.811 -3.122 508 H LEU 61 HN LEU 61 10.620 5.213 1.473 509 HA LEU 61 HA LEU 61 11.583 7.630 0.465 510 1HB LEU 61 HB2 LEU 61 9.774 7.472 2.087 511 2HB LEU 61 HB1 LEU 61 10.876 6.838 3.290 512 HG LEU 61 HG LEU 61 12.058 8.980 3.352 513 1HD1 LEU 61 HD11 LEU 61 11.176 10.926 2.191 514 2HD1 LEU 61 HD12 LEU 61 9.939 9.927 1.428 515 3HD1 LEU 61 HD13 LEU 61 11.642 9.676 1.034 516 1HD2 LEU 61 HD21 LEU 61 9.077 9.262 3.688 517 2HD2 LEU 61 HD22 LEU 61 10.312 10.270 4.443 518 3HD2 LEU 61 HD23 LEU 61 10.184 8.564 4.871 519 H SER 62 HN SER 62 12.996 5.382 2.816 520 HA SER 62 HA SER 62 15.230 7.079 3.383 521 1HB SER 62 HB2 SER 62 16.116 5.034 4.543 522 2HB SER 62 HB1 SER 62 14.510 5.531 5.076 523 HG SER 62 HG SER 62 14.273 3.409 4.727 524 H ARG 63 HN ARG 63 14.444 5.032 0.809 525 HA ARG 63 HA ARG 63 17.254 4.689 0.053 526 1HB ARG 63 HB2 ARG 63 14.761 3.378 -0.999 527 2HB ARG 63 HB1 ARG 63 16.374 3.117 -1.647 528 1HG ARG 63 HG2 ARG 63 16.972 2.452 0.785 529 2HG ARG 63 HG1 ARG 63 15.224 2.256 0.967 530 1HD ARG 63 HD2 ARG 63 15.979 0.137 0.323 531 2HD ARG 63 HD1 ARG 63 15.339 0.862 -1.151 532 HE ARG 63 HE ARG 63 18.205 0.629 -0.500 533 1HH1 ARG 63 HH11 ARG 63 15.618 0.928 -2.841 534 2HH1 ARG 63 HH12 ARG 63 16.653 0.722 -4.220 535 1HH2 ARG 63 HH21 ARG 63 19.577 0.319 -2.291 536 2HH2 ARG 63 HH22 ARG 63 18.912 0.361 -3.908 537 H ALA 64 HN ALA 64 15.655 7.185 -0.132 538 HA ALA 64 HA ALA 64 15.405 8.955 -1.524 539 1HB ALA 64 HB1 ALA 64 17.791 8.541 -1.892 540 2HB ALA 64 HB2 ALA 64 17.008 9.194 -3.330 541 3HB ALA 64 HB3 ALA 64 17.396 7.476 -3.241 542 H ASN 65 HN ASN 65 13.373 7.167 -1.730 543 HA ASN 65 HA ASN 65 12.539 7.596 -4.498 544 1HB ASN 65 HB2 ASN 65 13.388 5.241 -4.308 545 2HB ASN 65 HB1 ASN 65 12.174 4.943 -3.072 546 1HD2 ASN 65 HD21 ASN 65 10.041 4.668 -3.669 547 2HD2 ASN 65 HD22 ASN 65 9.544 4.502 -5.316 548 H GLY 66 HN GLY 66 10.133 7.378 -4.693 549 1HA GLY 66 HA2 GLY 66 8.665 7.396 -2.179 550 2HA GLY 66 HA1 GLY 66 8.590 8.868 -3.142 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -14.407 11.226 -8.319 2 2H MET 1 HT2 MET 1 -12.759 11.353 -7.960 3 3H MET 1 HT3 MET 1 -13.879 12.349 -7.163 4 HA MET 1 HA MET 1 -14.893 10.390 -6.145 5 1HB MET 1 HB2 MET 1 -12.529 8.974 -7.396 6 2HB MET 1 HB1 MET 1 -13.631 8.265 -6.224 7 1HG MET 1 HG2 MET 1 -15.478 8.526 -7.798 8 2HG MET 1 HG1 MET 1 -14.375 9.241 -8.973 9 1HE MET 1 HE1 MET 1 -16.254 6.802 -9.691 10 2HE MET 1 HE2 MET 1 -15.136 5.772 -10.585 11 3HE MET 1 HE3 MET 1 -15.106 7.521 -10.820 12 H GLN 2 HN GLN 2 -13.690 12.548 -5.236 13 HA GLN 2 HA GLN 2 -11.172 12.136 -3.981 14 1HB GLN 2 HB2 GLN 2 -13.276 14.239 -3.926 15 2HB GLN 2 HB1 GLN 2 -12.149 14.187 -2.581 16 1HG GLN 2 HG2 GLN 2 -11.437 15.751 -4.292 17 2HG GLN 2 HG1 GLN 2 -10.281 14.438 -4.092 18 1HE2 GLN 2 HE21 GLN 2 -9.398 14.801 -6.101 19 2HE2 GLN 2 HE22 GLN 2 -10.216 14.367 -7.573 20 H HIS 3 HN HIS 3 -10.715 11.088 -2.194 21 HA HIS 3 HA HIS 3 -12.460 11.172 0.088 22 1HB HIS 3 HB2 HIS 3 -13.448 9.269 -1.140 23 2HB HIS 3 HB1 HIS 3 -11.871 8.489 -1.197 24 HD1 HIS 3 HD1 HIS 3 -14.641 9.366 1.186 25 HD2 HIS 3 HD2 HIS 3 -11.131 7.138 1.115 26 HE1 HIS 3 HE1 HIS 3 -14.627 8.058 3.333 27 HE2 HIS 3 HE2 HIS 3 -12.539 6.646 3.235 28 H GLU 4 HN GLU 4 -11.141 11.540 1.710 29 HA GLU 4 HA GLU 4 -8.364 10.603 1.533 30 1HB GLU 4 HB2 GLU 4 -9.556 12.636 3.428 31 2HB GLU 4 HB1 GLU 4 -7.849 12.326 3.153 32 1HG GLU 4 HG2 GLU 4 -9.759 13.428 1.106 33 2HG GLU 4 HG1 GLU 4 -8.634 14.382 2.066 34 H LEU 5 HN LEU 5 -7.376 9.912 3.653 35 HA LEU 5 HA LEU 5 -9.225 8.716 5.521 36 1HB LEU 5 HB2 LEU 5 -8.505 6.436 5.174 37 2HB LEU 5 HB1 LEU 5 -9.198 7.084 3.700 38 HG LEU 5 HG LEU 5 -6.298 7.408 3.816 39 1HD1 LEU 5 HD11 LEU 5 -5.791 5.045 3.446 40 2HD1 LEU 5 HD12 LEU 5 -7.466 4.626 3.807 41 3HD1 LEU 5 HD13 LEU 5 -6.439 5.318 5.064 42 1HD2 LEU 5 HD21 LEU 5 -8.177 6.078 1.875 43 2HD2 LEU 5 HD22 LEU 5 -6.477 6.449 1.578 44 3HD2 LEU 5 HD23 LEU 5 -7.639 7.757 1.810 45 H GLN 6 HN GLN 6 -8.108 7.470 7.186 46 HA GLN 6 HA GLN 6 -5.562 8.717 7.916 47 1HB GLN 6 HB2 GLN 6 -6.181 8.119 10.216 48 2HB GLN 6 HB1 GLN 6 -7.386 9.140 9.451 49 1HG GLN 6 HG2 GLN 6 -8.783 7.192 9.037 50 2HG GLN 6 HG1 GLN 6 -7.567 6.161 9.797 51 1HE2 GLN 6 HE21 GLN 6 -7.175 6.362 11.979 52 2HE2 GLN 6 HE22 GLN 6 -8.348 7.045 13.055 53 HA PRO 7 HA PRO 7 -2.899 5.189 7.889 54 1HB PRO 7 HB2 PRO 7 -3.366 4.911 10.841 55 2HB PRO 7 HB1 PRO 7 -1.855 4.785 9.932 56 1HG PRO 7 HG2 PRO 7 -2.476 7.021 11.235 57 2HG PRO 7 HG1 PRO 7 -1.678 7.078 9.651 58 1HD PRO 7 HD2 PRO 7 -4.460 7.758 10.382 59 2HD PRO 7 HD1 PRO 7 -3.481 8.321 9.016 60 H ASP 8 HN ASP 8 -5.700 4.663 10.044 61 HA ASP 8 HA ASP 8 -5.862 1.920 9.071 62 1HB ASP 8 HB2 ASP 8 -7.553 1.712 10.937 63 2HB ASP 8 HB1 ASP 8 -5.905 2.023 11.448 64 H SER 9 HN SER 9 -6.869 1.904 7.207 65 HA SER 9 HA SER 9 -9.615 2.221 6.923 66 1HB SER 9 HB2 SER 9 -9.050 4.670 7.046 67 2HB SER 9 HB1 SER 9 -8.049 4.472 5.606 68 HG SER 9 HG SER 9 -9.823 4.839 4.564 69 H LEU 10 HN LEU 10 -10.092 2.298 4.373 70 HA LEU 10 HA LEU 10 -8.242 0.296 3.311 71 1HB LEU 10 HB2 LEU 10 -10.183 -0.395 1.868 72 2HB LEU 10 HB1 LEU 10 -10.354 -0.685 3.585 73 HG LEU 10 HG LEU 10 -11.598 1.684 3.443 74 1HD1 LEU 10 HD11 LEU 10 -12.143 0.409 0.766 75 2HD1 LEU 10 HD12 LEU 10 -11.263 1.913 1.030 76 3HD1 LEU 10 HD13 LEU 10 -12.972 1.809 1.447 77 1HD2 LEU 10 HD21 LEU 10 -13.705 0.406 3.330 78 2HD2 LEU 10 HD22 LEU 10 -12.524 -0.313 4.424 79 3HD2 LEU 10 HD23 LEU 10 -12.789 -1.015 2.828 80 H VAL 11 HN VAL 11 -6.953 0.856 1.812 81 HA VAL 11 HA VAL 11 -7.642 2.993 -0.086 82 HB VAL 11 HB VAL 11 -5.234 3.039 -0.616 83 1HG1 VAL 11 HG11 VAL 11 -4.416 3.917 1.503 84 2HG1 VAL 11 HG12 VAL 11 -5.781 3.174 2.341 85 3HG1 VAL 11 HG13 VAL 11 -6.059 4.466 1.170 86 1HG2 VAL 11 HG21 VAL 11 -4.987 0.917 1.500 87 2HG2 VAL 11 HG22 VAL 11 -3.648 1.731 0.691 88 3HG2 VAL 11 HG23 VAL 11 -4.735 0.692 -0.230 89 H ASP 12 HN ASP 12 -7.057 2.578 -2.387 90 HA ASP 12 HA ASP 12 -7.674 -0.212 -3.052 91 1HB ASP 12 HB2 ASP 12 -9.317 1.517 -3.793 92 2HB ASP 12 HB1 ASP 12 -8.058 2.252 -4.775 93 H LEU 13 HN LEU 13 -6.779 -0.980 -5.177 94 HA LEU 13 HA LEU 13 -3.976 -0.922 -5.177 95 1HB LEU 13 HB2 LEU 13 -5.397 -2.713 -6.140 96 2HB LEU 13 HB1 LEU 13 -5.817 -1.627 -7.450 97 HG LEU 13 HG LEU 13 -3.355 -1.523 -8.017 98 1HD1 LEU 13 HD11 LEU 13 -1.940 -3.328 -7.190 99 2HD1 LEU 13 HD12 LEU 13 -3.238 -3.867 -6.126 100 3HD1 LEU 13 HD13 LEU 13 -2.487 -2.290 -5.874 101 1HD2 LEU 13 HD21 LEU 13 -3.361 -3.648 -9.199 102 2HD2 LEU 13 HD22 LEU 13 -4.949 -2.881 -9.289 103 3HD2 LEU 13 HD23 LEU 13 -4.680 -4.227 -8.180 104 H LYS 14 HN LYS 14 -6.345 0.711 -7.278 105 HA LYS 14 HA LYS 14 -4.473 1.993 -8.955 106 1HB LYS 14 HB2 LYS 14 -6.888 1.789 -9.466 107 2HB LYS 14 HB1 LYS 14 -7.242 2.905 -8.150 108 1HG LYS 14 HG2 LYS 14 -5.858 4.613 -9.334 109 2HG LYS 14 HG1 LYS 14 -5.762 3.498 -10.698 110 1HD LYS 14 HD2 LYS 14 -8.197 3.505 -10.878 111 2HD LYS 14 HD1 LYS 14 -8.295 4.614 -9.508 112 1HE LYS 14 HE2 LYS 14 -7.012 6.278 -10.772 113 2HE LYS 14 HE1 LYS 14 -6.936 5.175 -12.144 114 1HZ LYS 14 HZ1 LYS 14 -8.680 6.769 -12.475 115 2HZ LYS 14 HZ2 LYS 14 -9.385 6.388 -10.986 116 3HZ LYS 14 HZ3 LYS 14 -9.374 5.240 -12.237 117 H PHE 15 HN PHE 15 -5.884 2.759 -5.884 118 HA PHE 15 HA PHE 15 -5.018 5.397 -5.583 119 1HB PHE 15 HB2 PHE 15 -6.641 4.122 -4.123 120 2HB PHE 15 HB1 PHE 15 -5.246 3.331 -3.398 121 HD1 PHE 15 HD1 PHE 15 -6.587 6.735 -4.079 122 HD2 PHE 15 HD2 PHE 15 -4.243 4.245 -1.548 123 HE1 PHE 15 HE1 PHE 15 -6.330 8.599 -2.493 124 HE2 PHE 15 HE2 PHE 15 -3.976 6.104 0.043 125 HZ PHE 15 HZ PHE 15 -5.020 8.286 -0.429 126 H ILE 16 HN ILE 16 -3.480 2.323 -4.658 127 HA ILE 16 HA ILE 16 -1.090 3.289 -3.637 128 HB ILE 16 HB ILE 16 -1.151 0.837 -5.376 129 1HG1 ILE 16 HG12 ILE 16 -2.185 1.096 -2.540 130 2HG1 ILE 16 HG11 ILE 16 -3.156 0.734 -3.958 131 1HG2 ILE 16 HG21 ILE 16 0.988 1.548 -4.468 132 2HG2 ILE 16 HG22 ILE 16 0.463 0.048 -3.704 133 3HG2 ILE 16 HG23 ILE 16 0.305 1.575 -2.842 134 1HD1 ILE 16 HD11 ILE 16 -0.992 -1.022 -2.821 135 2HD1 ILE 16 HD12 ILE 16 -2.006 -1.394 -4.217 136 3HD1 ILE 16 HD13 ILE 16 -2.727 -1.248 -2.610 137 H MET 17 HN MET 17 -2.039 2.745 -6.992 138 HA MET 17 HA MET 17 0.435 3.326 -8.196 139 1HB MET 17 HB2 MET 17 -2.353 3.779 -9.279 140 2HB MET 17 HB1 MET 17 -0.878 3.797 -10.237 141 1HG MET 17 HG2 MET 17 -0.483 1.457 -9.682 142 2HG MET 17 HG1 MET 17 -1.951 1.435 -8.708 143 1HE MET 17 HE1 MET 17 -1.357 3.232 -12.168 144 2HE MET 17 HE2 MET 17 -1.904 1.989 -13.294 145 3HE MET 17 HE3 MET 17 -0.455 1.725 -12.325 146 H ALA 18 HN ALA 18 -2.274 5.406 -7.275 147 HA ALA 18 HA ALA 18 -1.055 7.838 -8.122 148 1HB ALA 18 HB1 ALA 18 -2.785 8.929 -6.756 149 2HB ALA 18 HB2 ALA 18 -3.235 7.358 -6.088 150 3HB ALA 18 HB3 ALA 18 -3.461 7.685 -7.808 151 H ASP 19 HN ASP 19 -0.902 5.882 -5.271 152 HA ASP 19 HA ASP 19 0.102 7.733 -3.410 153 1HB ASP 19 HB2 ASP 19 -0.810 5.315 -3.097 154 2HB ASP 19 HB1 ASP 19 0.839 4.812 -3.425 155 H THR 20 HN THR 20 1.655 5.752 -5.864 156 HA THR 20 HA THR 20 4.185 7.158 -5.308 157 HB THR 20 HB THR 20 5.287 5.054 -6.317 158 HG1 THR 20 HG1 THR 20 2.875 3.859 -5.366 159 1HG2 THR 20 HG21 THR 20 4.025 4.959 -3.578 160 2HG2 THR 20 HG22 THR 20 5.569 5.701 -3.993 161 3HG2 THR 20 HG23 THR 20 5.370 3.954 -4.118 162 H GLY 21 HN GLY 21 3.003 4.970 -7.820 163 1HA GLY 21 HA2 GLY 21 2.302 6.378 -9.911 164 2HA GLY 21 HA1 GLY 21 4.005 6.811 -9.868 165 H PHE 22 HN PHE 22 3.296 3.614 -8.823 166 HA PHE 22 HA PHE 22 4.476 2.647 -11.337 167 1HB PHE 22 HB2 PHE 22 4.802 1.545 -8.544 168 2HB PHE 22 HB1 PHE 22 5.520 0.862 -9.999 169 HD1 PHE 22 HD1 PHE 22 5.744 3.420 -7.461 170 HD2 PHE 22 HD2 PHE 22 7.283 2.096 -11.199 171 HE1 PHE 22 HE1 PHE 22 7.702 4.881 -7.167 172 HE2 PHE 22 HE2 PHE 22 9.245 3.552 -10.913 173 HZ PHE 22 HZ PHE 22 9.459 4.947 -8.902 174 H GLY 23 HN GLY 23 4.191 0.028 -11.216 175 1HA GLY 23 HA2 GLY 23 1.275 -0.277 -11.352 176 2HA GLY 23 HA1 GLY 23 2.453 -1.252 -12.214 177 H LYS 24 HN LYS 24 0.626 -2.663 -11.165 178 HA LYS 24 HA LYS 24 0.372 -3.290 -8.531 179 1HB LYS 24 HB2 LYS 24 -0.246 -5.620 -9.380 180 2HB LYS 24 HB1 LYS 24 -1.146 -4.253 -10.023 181 1HG LYS 24 HG2 LYS 24 0.421 -4.297 -11.997 182 2HG LYS 24 HG1 LYS 24 1.023 -5.832 -11.377 183 1HD LYS 24 HD2 LYS 24 -1.912 -5.453 -11.781 184 2HD LYS 24 HD1 LYS 24 -0.882 -5.775 -13.174 185 1HE LYS 24 HE2 LYS 24 -1.742 -7.859 -12.423 186 2HE LYS 24 HE1 LYS 24 -0.042 -7.800 -11.970 187 1HZ LYS 24 HZ1 LYS 24 -2.276 -7.158 -10.123 188 2HZ LYS 24 HZ2 LYS 24 -0.632 -7.333 -9.727 189 3HZ LYS 24 HZ3 LYS 24 -1.534 -8.677 -10.227 190 H THR 25 HN THR 25 2.755 -4.784 -10.721 191 HA THR 25 HA THR 25 3.630 -6.754 -8.956 192 HB THR 25 HB THR 25 4.148 -6.866 -11.315 193 HG1 THR 25 HG1 THR 25 6.513 -7.214 -11.115 194 1HG2 THR 25 HG21 THR 25 5.792 -5.412 -12.375 195 2HG2 THR 25 HG22 THR 25 5.975 -4.504 -10.875 196 3HG2 THR 25 HG23 THR 25 4.439 -4.471 -11.744 197 H PHE 26 HN PHE 26 4.859 -3.452 -9.426 198 HA PHE 26 HA PHE 26 7.027 -3.565 -7.661 199 1HB PHE 26 HB2 PHE 26 7.019 -1.679 -9.008 200 2HB PHE 26 HB1 PHE 26 5.297 -1.399 -8.787 201 HD1 PHE 26 HD1 PHE 26 4.469 -0.111 -6.979 202 HD2 PHE 26 HD2 PHE 26 8.624 -0.950 -7.306 203 HE1 PHE 26 HE1 PHE 26 4.940 1.603 -5.281 204 HE2 PHE 26 HE2 PHE 26 9.106 0.765 -5.606 205 HZ PHE 26 HZ PHE 26 7.261 2.043 -4.589 206 H ILE 27 HN ILE 27 3.651 -2.709 -7.188 207 HA ILE 27 HA ILE 27 3.755 -1.815 -4.558 208 HB ILE 27 HB ILE 27 1.506 -3.298 -5.924 209 1HG1 ILE 27 HG12 ILE 27 1.952 -0.316 -5.708 210 2HG1 ILE 27 HG11 ILE 27 2.379 -1.270 -7.125 211 1HG2 ILE 27 HG21 ILE 27 0.053 -2.114 -4.330 212 2HG2 ILE 27 HG22 ILE 27 1.483 -1.466 -3.527 213 3HG2 ILE 27 HG23 ILE 27 1.181 -3.204 -3.525 214 1HD1 ILE 27 HD11 ILE 27 0.021 -1.908 -7.372 215 2HD1 ILE 27 HD12 ILE 27 0.267 -0.159 -7.465 216 3HD1 ILE 27 HD13 ILE 27 -0.380 -0.885 -5.992 217 H TYR 28 HN TYR 28 2.965 -5.051 -5.776 218 HA TYR 28 HA TYR 28 2.396 -6.158 -3.272 219 1HB TYR 28 HB2 TYR 28 3.332 -7.503 -5.822 220 2HB TYR 28 HB1 TYR 28 2.744 -8.374 -4.413 221 HD1 TYR 28 HD1 TYR 28 1.192 -5.202 -5.473 222 HD2 TYR 28 HD2 TYR 28 0.981 -9.446 -5.654 223 HE1 TYR 28 HE1 TYR 28 -1.093 -5.044 -6.350 224 HE2 TYR 28 HE2 TYR 28 -1.304 -9.299 -6.539 225 HH TYR 28 HH TYR 28 -3.204 -7.532 -6.362 226 H ASP 29 HN ASP 29 5.442 -6.100 -5.117 227 HA ASP 29 HA ASP 29 6.881 -7.635 -3.192 228 1HB ASP 29 HB2 ASP 29 7.779 -7.437 -5.424 229 2HB ASP 29 HB1 ASP 29 7.851 -5.682 -5.285 230 H ARG 30 HN ARG 30 6.672 -4.164 -3.834 231 HA ARG 30 HA ARG 30 8.563 -3.369 -1.918 232 1HB ARG 30 HB2 ARG 30 7.683 -2.044 -3.892 233 2HB ARG 30 HB1 ARG 30 6.251 -1.712 -2.930 234 1HG ARG 30 HG2 ARG 30 7.371 0.129 -2.355 235 2HG ARG 30 HG1 ARG 30 8.179 -0.950 -1.214 236 1HD ARG 30 HD2 ARG 30 9.163 -0.216 -3.972 237 2HD ARG 30 HD1 ARG 30 9.781 0.419 -2.451 238 HE ARG 30 HE ARG 30 10.301 -2.067 -2.018 239 1HH1 ARG 30 HH11 ARG 30 10.546 -0.420 -5.089 240 2HH1 ARG 30 HH12 ARG 30 11.770 -1.489 -5.710 241 1HH2 ARG 30 HH21 ARG 30 11.906 -3.482 -2.826 242 2HH2 ARG 30 HH22 ARG 30 12.539 -3.227 -4.422 243 H ILE 31 HN ILE 31 5.074 -3.817 -1.721 244 HA ILE 31 HA ILE 31 4.929 -2.609 0.892 245 HB ILE 31 HB ILE 31 2.879 -3.866 -0.917 246 1HG1 ILE 31 HG12 ILE 31 1.802 -1.609 -0.471 247 2HG1 ILE 31 HG11 ILE 31 3.261 -1.160 0.416 248 1HG2 ILE 31 HG21 ILE 31 2.430 -3.049 1.962 249 2HG2 ILE 31 HG22 ILE 31 2.384 -4.700 1.339 250 3HG2 ILE 31 HG23 ILE 31 1.178 -3.522 0.812 251 1HD1 ILE 31 HD11 ILE 31 3.126 -1.901 -2.503 252 2HD1 ILE 31 HD12 ILE 31 4.574 -1.431 -1.614 253 3HD1 ILE 31 HD13 ILE 31 3.267 -0.270 -1.848 254 H LYS 32 HN LYS 32 4.488 -5.947 -0.350 255 HA LYS 32 HA LYS 32 3.924 -7.059 2.172 256 1HB LYS 32 HB2 LYS 32 5.048 -8.342 -0.313 257 2HB LYS 32 HB1 LYS 32 4.600 -9.243 1.125 258 1HG LYS 32 HG2 LYS 32 2.323 -7.906 0.755 259 2HG LYS 32 HG1 LYS 32 2.896 -7.939 -0.912 260 1HD LYS 32 HD2 LYS 32 2.494 -10.331 0.884 261 2HD LYS 32 HD1 LYS 32 1.446 -9.844 -0.447 262 1HE LYS 32 HE2 LYS 32 3.279 -10.206 -2.023 263 2HE LYS 32 HE1 LYS 32 4.332 -10.683 -0.692 264 1HZ LYS 32 HZ1 LYS 32 2.856 -12.552 -0.244 265 2HZ LYS 32 HZ2 LYS 32 3.426 -12.606 -1.836 266 3HZ LYS 32 HZ3 LYS 32 1.845 -12.087 -1.523 267 H SER 33 HN SER 33 6.957 -6.614 0.465 268 HA SER 33 HA SER 33 8.576 -7.924 2.404 269 1HB SER 33 HB2 SER 33 9.172 -7.420 -0.018 270 2HB SER 33 HB1 SER 33 9.436 -5.755 0.491 271 HG SER 33 HG SER 33 11.267 -7.420 0.445 272 H GLY 34 HN GLY 34 7.097 -4.824 2.218 273 1HA GLY 34 HA2 GLY 34 8.969 -3.361 3.805 274 2HA GLY 34 HA1 GLY 34 7.331 -2.866 3.401 275 H ASP 35 HN ASP 35 5.578 -4.116 4.613 276 HA ASP 35 HA ASP 35 6.421 -5.042 7.250 277 1HB ASP 35 HB2 ASP 35 6.094 -2.525 7.376 278 2HB ASP 35 HB1 ASP 35 4.388 -2.814 7.048 279 H LEU 36 HN LEU 36 5.431 -6.642 5.368 280 HA LEU 36 HA LEU 36 3.698 -8.089 4.834 281 1HB LEU 36 HB2 LEU 36 3.906 -8.212 7.838 282 2HB LEU 36 HB1 LEU 36 3.155 -9.443 6.839 283 HG LEU 36 HG LEU 36 6.059 -8.630 6.674 284 1HD1 LEU 36 HD11 LEU 36 5.618 -9.727 8.777 285 2HD1 LEU 36 HD12 LEU 36 6.494 -10.820 7.705 286 3HD1 LEU 36 HD13 LEU 36 4.759 -11.028 7.950 287 1HD2 LEU 36 HD21 LEU 36 4.543 -10.889 5.375 288 2HD2 LEU 36 HD22 LEU 36 6.287 -10.634 5.286 289 3HD2 LEU 36 HD23 LEU 36 5.185 -9.462 4.561 290 HA PRO 37 HA PRO 37 0.310 -5.055 4.959 291 1HB PRO 37 HB2 PRO 37 -0.793 -7.301 3.325 292 2HB PRO 37 HB1 PRO 37 -0.873 -5.559 3.042 293 1HG PRO 37 HG2 PRO 37 0.868 -7.118 1.737 294 2HG PRO 37 HG1 PRO 37 1.266 -5.458 2.214 295 1HD PRO 37 HD2 PRO 37 2.263 -8.012 3.289 296 2HD PRO 37 HD1 PRO 37 2.984 -6.393 3.356 297 H LYS 38 HN LYS 38 -1.046 -4.859 6.558 298 HA LYS 38 HA LYS 38 -2.457 -7.131 7.679 299 1HB LYS 38 HB2 LYS 38 -2.489 -4.179 8.300 300 2HB LYS 38 HB1 LYS 38 -3.584 -5.317 9.069 301 1HG LYS 38 HG2 LYS 38 -1.801 -4.993 10.566 302 2HG LYS 38 HG1 LYS 38 -1.545 -6.579 9.838 303 1HD LYS 38 HD2 LYS 38 -0.012 -5.406 8.187 304 2HD LYS 38 HD1 LYS 38 -0.110 -3.999 9.260 305 1HE LYS 38 HE2 LYS 38 0.910 -5.171 11.042 306 2HE LYS 38 HE1 LYS 38 0.690 -6.729 10.251 307 1HZ LYS 38 HZ1 LYS 38 2.949 -6.152 10.009 308 2HZ LYS 38 HZ2 LYS 38 2.589 -4.572 9.512 309 3HZ LYS 38 HZ3 LYS 38 2.240 -5.881 8.493 310 H ALA 39 HN ALA 39 -2.755 -5.039 5.120 311 HA ALA 39 HA ALA 39 -5.356 -4.491 4.633 312 1HB ALA 39 HB1 ALA 39 -3.414 -5.698 2.674 313 2HB ALA 39 HB2 ALA 39 -3.502 -3.994 3.125 314 3HB ALA 39 HB3 ALA 39 -4.849 -4.752 2.277 315 H LYS 40 HN LYS 40 -6.957 -5.574 3.255 316 HA LYS 40 HA LYS 40 -7.069 -8.420 3.978 317 1HB LYS 40 HB2 LYS 40 -9.432 -6.750 3.137 318 2HB LYS 40 HB1 LYS 40 -9.438 -8.297 3.968 319 1HG LYS 40 HG2 LYS 40 -8.791 -5.584 5.067 320 2HG LYS 40 HG1 LYS 40 -10.038 -6.718 5.586 321 1HD LYS 40 HD2 LYS 40 -8.165 -8.272 6.268 322 2HD LYS 40 HD1 LYS 40 -7.053 -6.928 5.972 323 1HE LYS 40 HE2 LYS 40 -7.551 -6.948 8.302 324 2HE LYS 40 HE1 LYS 40 -8.400 -5.576 7.589 325 1HZ LYS 40 HZ1 LYS 40 -9.593 -8.209 8.275 326 2HZ LYS 40 HZ2 LYS 40 -10.427 -6.927 7.547 327 3HZ LYS 40 HZ3 LYS 40 -9.827 -6.760 9.121 328 H VAL 41 HN VAL 41 -5.801 -9.014 2.248 329 HA VAL 41 HA VAL 41 -6.784 -8.460 -0.443 330 HB VAL 41 HB VAL 41 -4.501 -7.928 -0.177 331 1HG1 VAL 41 HG11 VAL 41 -4.121 -10.634 1.076 332 2HG1 VAL 41 HG12 VAL 41 -3.993 -9.058 1.864 333 3HG1 VAL 41 HG13 VAL 41 -2.814 -9.532 0.642 334 1HG2 VAL 41 HG21 VAL 41 -4.675 -10.624 -1.506 335 2HG2 VAL 41 HG22 VAL 41 -3.357 -9.469 -1.709 336 3HG2 VAL 41 HG23 VAL 41 -4.981 -9.060 -2.261 337 H ILE 42 HN ILE 42 -7.982 -9.931 -1.431 338 HA ILE 42 HA ILE 42 -7.747 -12.729 -0.567 339 HB ILE 42 HB ILE 42 -9.887 -11.819 0.091 340 1HG1 ILE 42 HG12 ILE 42 -11.413 -13.366 -1.131 341 2HG1 ILE 42 HG11 ILE 42 -10.116 -13.680 -2.280 342 1HG2 ILE 42 HG21 ILE 42 -10.048 -9.992 -1.490 343 2HG2 ILE 42 HG22 ILE 42 -11.505 -10.984 -1.541 344 3HG2 ILE 42 HG23 ILE 42 -10.291 -11.133 -2.812 345 1HD1 ILE 42 HD11 ILE 42 -8.744 -14.590 -0.482 346 2HD1 ILE 42 HD12 ILE 42 -10.279 -15.451 -0.634 347 3HD1 ILE 42 HD13 ILE 42 -10.045 -14.280 0.667 348 H HIS 43 HN HIS 43 -7.821 -10.560 -3.276 349 HA HIS 43 HA HIS 43 -7.390 -12.867 -5.069 350 1HB HIS 43 HB2 HIS 43 -8.922 -10.336 -5.711 351 2HB HIS 43 HB1 HIS 43 -8.502 -11.579 -6.882 352 HD1 HIS 43 HD1 HIS 43 -9.418 -14.123 -5.815 353 HD2 HIS 43 HD2 HIS 43 -11.503 -10.605 -5.028 354 HE1 HIS 43 HE1 HIS 43 -11.757 -14.835 -5.198 355 HE2 HIS 43 HE2 HIS 43 -12.989 -12.694 -4.668 356 H GLY 44 HN GLY 44 -5.289 -11.575 -3.839 357 1HA GLY 44 HA2 GLY 44 -3.254 -10.613 -4.370 358 2HA GLY 44 HA1 GLY 44 -3.814 -10.448 -6.029 359 H ARG 45 HN ARG 45 -6.217 -9.023 -5.236 360 HA ARG 45 HA ARG 45 -5.292 -6.616 -3.882 361 1HB ARG 45 HB2 ARG 45 -6.259 -5.166 -5.619 362 2HB ARG 45 HB1 ARG 45 -4.958 -6.148 -6.279 363 1HG ARG 45 HG2 ARG 45 -6.556 -7.646 -7.300 364 2HG ARG 45 HG1 ARG 45 -7.895 -6.767 -6.561 365 1HD ARG 45 HD2 ARG 45 -5.957 -5.722 -8.620 366 2HD ARG 45 HD1 ARG 45 -7.661 -6.096 -8.868 367 HE ARG 45 HE ARG 45 -6.602 -3.838 -7.315 368 1HH1 ARG 45 HH11 ARG 45 -9.266 -5.476 -8.868 369 2HH1 ARG 45 HH12 ARG 45 -10.335 -4.108 -8.771 370 1HH2 ARG 45 HH21 ARG 45 -8.008 -2.019 -7.183 371 2HH2 ARG 45 HH22 ARG 45 -9.618 -2.146 -7.815 372 H ALA 46 HN ALA 46 -7.127 -5.346 -3.110 373 HA ALA 46 HA ALA 46 -9.812 -5.953 -3.556 374 1HB ALA 46 HB1 ALA 46 -10.467 -7.107 -1.523 375 2HB ALA 46 HB2 ALA 46 -8.786 -7.182 -0.992 376 3HB ALA 46 HB3 ALA 46 -9.303 -8.082 -2.419 377 H ARG 47 HN ARG 47 -8.564 -5.603 -0.292 378 HA ARG 47 HA ARG 47 -8.930 -2.700 -0.436 379 1HB ARG 47 HB2 ARG 47 -10.006 -2.867 1.876 380 2HB ARG 47 HB1 ARG 47 -10.997 -3.388 0.517 381 1HG ARG 47 HG2 ARG 47 -10.286 -5.727 1.013 382 2HG ARG 47 HG1 ARG 47 -9.518 -5.116 2.476 383 1HD ARG 47 HD2 ARG 47 -11.620 -4.392 3.358 384 2HD ARG 47 HD1 ARG 47 -12.438 -4.753 1.836 385 HE ARG 47 HE ARG 47 -11.207 -7.091 2.738 386 1HH1 ARG 47 HH11 ARG 47 -13.792 -4.959 3.762 387 2HH1 ARG 47 HH12 ARG 47 -14.730 -6.249 4.458 388 1HH2 ARG 47 HH21 ARG 47 -12.381 -8.752 3.696 389 2HH2 ARG 47 HH22 ARG 47 -13.908 -8.408 4.453 390 H TRP 48 HN TRP 48 -7.140 -1.760 0.251 391 HA TRP 48 HA TRP 48 -5.248 -3.423 1.763 392 1HB TRP 48 HB2 TRP 48 -4.871 -2.232 -0.650 393 2HB TRP 48 HB1 TRP 48 -4.276 -0.969 0.419 394 HD1 TRP 48 HD1 TRP 48 -2.290 -1.809 2.195 395 HE1 TRP 48 HE1 TRP 48 -0.374 -3.473 1.791 396 HE3 TRP 48 HE3 TRP 48 -4.152 -4.181 -1.935 397 HZ2 TRP 48 HZ2 TRP 48 0.278 -5.505 -0.072 398 HZ3 TRP 48 HZ3 TRP 48 -2.818 -5.966 -2.971 399 HH2 TRP 48 HH2 TRP 48 -0.649 -6.613 -2.056 400 H LEU 49 HN LEU 49 -4.240 -2.597 3.612 401 HA LEU 49 HA LEU 49 -5.603 -0.365 4.826 402 1HB LEU 49 HB2 LEU 49 -3.492 -2.256 5.812 403 2HB LEU 49 HB1 LEU 49 -4.092 -0.918 6.758 404 HG LEU 49 HG LEU 49 -5.634 -3.339 5.852 405 1HD1 LEU 49 HD11 LEU 49 -5.988 -3.626 8.267 406 2HD1 LEU 49 HD12 LEU 49 -4.971 -2.219 8.572 407 3HD1 LEU 49 HD13 LEU 49 -4.278 -3.665 7.836 408 1HD2 LEU 49 HD21 LEU 49 -7.036 -1.355 5.576 409 2HD2 LEU 49 HD22 LEU 49 -6.681 -0.869 7.231 410 3HD2 LEU 49 HD23 LEU 49 -7.591 -2.346 6.925 411 H TYR 50 HN TYR 50 -4.771 1.586 5.231 412 HA TYR 50 HA TYR 50 -2.748 2.568 3.556 413 1HB TYR 50 HB2 TYR 50 -4.656 3.882 4.509 414 2HB TYR 50 HB1 TYR 50 -3.846 3.852 6.069 415 HD1 TYR 50 HD1 TYR 50 -3.677 5.160 2.626 416 HD2 TYR 50 HD2 TYR 50 -2.035 5.338 6.549 417 HE1 TYR 50 HE1 TYR 50 -2.439 7.193 2.005 418 HE2 TYR 50 HE2 TYR 50 -0.801 7.377 5.942 419 HH TYR 50 HH TYR 50 0.015 8.542 4.028 420 H ARG 51 HN ARG 51 -2.731 1.433 6.886 421 HA ARG 51 HA ARG 51 -0.278 2.279 7.789 422 1HB ARG 51 HB2 ARG 51 -0.244 0.416 9.284 423 2HB ARG 51 HB1 ARG 51 -1.900 0.976 9.130 424 1HG ARG 51 HG2 ARG 51 -2.505 -0.871 7.801 425 2HG ARG 51 HG1 ARG 51 -0.818 -1.329 7.542 426 1HD ARG 51 HD2 ARG 51 -1.963 -2.761 9.190 427 2HD ARG 51 HD1 ARG 51 -0.577 -1.912 9.868 428 HE ARG 51 HE ARG 51 -3.005 -0.486 10.256 429 1HH1 ARG 51 HH11 ARG 51 -1.075 -3.103 11.516 430 2HH1 ARG 51 HH12 ARG 51 -1.729 -2.989 13.117 431 1HH2 ARG 51 HH21 ARG 51 -3.844 -0.291 12.368 432 2HH2 ARG 51 HH22 ARG 51 -3.313 -1.383 13.612 433 H ASP 52 HN ASP 52 -0.937 -0.533 5.720 434 HA ASP 52 HA ASP 52 1.687 -1.510 5.614 435 1HB ASP 52 HB2 ASP 52 -0.335 -1.711 3.379 436 2HB ASP 52 HB1 ASP 52 0.972 -2.830 3.750 437 H HIS 53 HN HIS 53 0.011 0.966 3.816 438 HA HIS 53 HA HIS 53 2.042 1.414 1.872 439 1HB HIS 53 HB2 HIS 53 -0.212 3.156 2.880 440 2HB HIS 53 HB1 HIS 53 0.914 3.683 1.636 441 HD1 HIS 53 HD1 HIS 53 -0.857 3.839 -0.187 442 HD2 HIS 53 HD2 HIS 53 -0.521 0.052 1.527 443 HE1 HIS 53 HE1 HIS 53 -2.303 2.310 -1.587 444 HE2 HIS 53 HE2 HIS 53 -2.014 0.020 -0.578 445 H CYS 54 HN CYS 54 1.298 2.735 5.039 446 HA CYS 54 HA CYS 54 3.044 4.877 5.119 447 1HB CYS 54 HB2 CYS 54 1.508 4.609 6.909 448 2HB CYS 54 HB1 CYS 54 2.090 2.988 7.266 449 HG CYS 54 HG CYS 54 4.164 3.635 8.738 450 H GLU 55 HN GLU 55 3.653 1.492 5.997 451 HA GLU 55 HA GLU 55 6.340 1.970 6.758 452 1HB GLU 55 HB2 GLU 55 4.892 -0.592 6.122 453 2HB GLU 55 HB1 GLU 55 6.490 -0.494 6.856 454 1HG GLU 55 HG2 GLU 55 3.868 0.415 8.010 455 2HG GLU 55 HG1 GLU 55 4.941 -0.851 8.608 456 H PHE 56 HN PHE 56 4.853 0.627 3.802 457 HA PHE 56 HA PHE 56 7.313 0.096 2.561 458 1HB PHE 56 HB2 PHE 56 6.026 -0.767 0.950 459 2HB PHE 56 HB1 PHE 56 4.646 -0.308 1.935 460 HD1 PHE 56 HD1 PHE 56 6.883 0.985 -0.731 461 HD2 PHE 56 HD2 PHE 56 3.042 1.096 1.077 462 HE1 PHE 56 HE1 PHE 56 6.075 2.386 -2.573 463 HE2 PHE 56 HE2 PHE 56 2.214 2.509 -0.759 464 HZ PHE 56 HZ PHE 56 3.729 3.155 -2.585 465 H LYS 57 HN LYS 57 5.184 2.947 2.327 466 HA LYS 57 HA LYS 57 6.797 4.496 0.647 467 1HB LYS 57 HB2 LYS 57 4.874 5.272 2.837 468 2HB LYS 57 HB1 LYS 57 5.686 6.461 1.830 469 1HG LYS 57 HG2 LYS 57 3.892 4.271 0.821 470 2HG LYS 57 HG1 LYS 57 3.416 5.955 1.058 471 1HD LYS 57 HD2 LYS 57 5.711 5.141 -0.703 472 2HD LYS 57 HD1 LYS 57 4.056 5.277 -1.304 473 1HE LYS 57 HE2 LYS 57 5.664 7.480 -0.015 474 2HE LYS 57 HE1 LYS 57 5.360 7.305 -1.742 475 1HZ LYS 57 HZ1 LYS 57 3.461 8.024 0.400 476 2HZ LYS 57 HZ2 LYS 57 2.901 7.378 -1.065 477 3HZ LYS 57 HZ3 LYS 57 3.783 8.831 -1.056 478 H ASN 58 HN ASN 58 6.978 3.784 4.011 479 HA ASN 58 HA ASN 58 8.641 5.830 4.905 480 1HB ASN 58 HB2 ASN 58 7.455 4.437 6.453 481 2HB ASN 58 HB1 ASN 58 8.227 2.982 5.822 482 1HD2 ASN 58 HD21 ASN 58 8.957 2.392 7.821 483 2HD2 ASN 58 HD22 ASN 58 10.261 3.194 8.626 484 H LYS 59 HN LYS 59 9.475 2.544 3.772 485 HA LYS 59 HA LYS 59 12.262 2.947 4.128 486 1HB LYS 59 HB2 LYS 59 12.549 0.822 3.182 487 2HB LYS 59 HB1 LYS 59 10.981 0.742 3.972 488 1HG LYS 59 HG2 LYS 59 10.015 1.328 1.672 489 2HG LYS 59 HG1 LYS 59 11.605 0.880 1.051 490 1HD LYS 59 HD2 LYS 59 11.298 -1.273 2.402 491 2HD LYS 59 HD1 LYS 59 9.600 -0.797 2.493 492 1HE LYS 59 HE2 LYS 59 9.434 -0.784 0.076 493 2HE LYS 59 HE1 LYS 59 11.156 -1.136 -0.070 494 1HZ LYS 59 HZ1 LYS 59 10.646 -3.233 1.238 495 2HZ LYS 59 HZ2 LYS 59 10.089 -3.186 -0.359 496 3HZ LYS 59 HZ3 LYS 59 9.009 -2.921 0.917 497 H LEU 60 HN LEU 60 10.095 3.277 1.356 498 HA LEU 60 HA LEU 60 12.094 3.920 -0.540 499 1HB LEU 60 HB2 LEU 60 9.141 4.456 -0.400 500 2HB LEU 60 HB1 LEU 60 10.111 5.063 -1.726 501 HG LEU 60 HG LEU 60 9.703 2.152 -1.004 502 1HD1 LEU 60 HD11 LEU 60 8.808 3.742 -3.394 503 2HD1 LEU 60 HD12 LEU 60 7.781 3.217 -2.061 504 3HD1 LEU 60 HD13 LEU 60 8.541 2.021 -3.109 505 1HD2 LEU 60 HD21 LEU 60 11.378 3.459 -3.138 506 2HD2 LEU 60 HD22 LEU 60 10.954 1.748 -3.122 507 3HD2 LEU 60 HD23 LEU 60 11.938 2.424 -1.825 508 H LEU 61 HN LEU 61 10.150 5.890 1.640 509 HA LEU 61 HA LEU 61 11.021 8.419 0.789 510 1HB LEU 61 HB2 LEU 61 9.088 8.011 2.267 511 2HB LEU 61 HB1 LEU 61 10.179 7.524 3.545 512 HG LEU 61 HG LEU 61 11.124 9.806 3.584 513 1HD1 LEU 61 HD11 LEU 61 9.992 11.596 2.385 514 2HD1 LEU 61 HD12 LEU 61 8.910 10.425 1.631 515 3HD1 LEU 61 HD13 LEU 61 10.634 10.403 1.256 516 1HD2 LEU 61 HD21 LEU 61 8.128 9.669 3.910 517 2HD2 LEU 61 HD22 LEU 61 9.197 10.875 4.635 518 3HD2 LEU 61 HD23 LEU 61 9.323 9.180 5.113 519 H SER 62 HN SER 62 12.261 6.204 3.242 520 HA SER 62 HA SER 62 14.340 7.864 4.177 521 1HB SER 62 HB2 SER 62 14.189 4.835 4.197 522 2HB SER 62 HB1 SER 62 15.237 5.833 5.207 523 HG SER 62 HG SER 62 12.406 5.637 5.258 524 H ARG 63 HN ARG 63 14.155 5.514 1.555 525 HA ARG 63 HA ARG 63 16.976 5.762 0.976 526 1HB ARG 63 HB2 ARG 63 14.777 4.305 -0.454 527 2HB ARG 63 HB1 ARG 63 16.469 4.267 -0.927 528 1HG ARG 63 HG2 ARG 63 17.033 3.334 1.286 529 2HG ARG 63 HG1 ARG 63 15.309 3.284 1.670 530 1HD ARG 63 HD2 ARG 63 15.841 1.123 0.914 531 2HD ARG 63 HD1 ARG 63 15.035 1.928 -0.430 532 HE ARG 63 HE ARG 63 17.942 2.045 -0.425 533 1HH1 ARG 63 HH11 ARG 63 15.054 0.459 -1.632 534 2HH1 ARG 63 HH12 ARG 63 15.867 -0.277 -2.985 535 1HH2 ARG 63 HH21 ARG 63 19.014 1.074 -2.194 536 2HH2 ARG 63 HH22 ARG 63 18.117 0.100 -3.326 537 H ALA 64 HN ALA 64 14.732 7.915 0.648 538 HA ALA 64 HA ALA 64 14.330 9.729 -0.644 539 1HB ALA 64 HB1 ALA 64 16.245 10.686 -1.822 540 2HB ALA 64 HB2 ALA 64 17.122 9.167 -1.633 541 3HB ALA 64 HB3 ALA 64 16.690 10.121 -0.212 542 H ASN 65 HN ASN 65 13.260 7.364 -1.665 543 HA ASN 65 HA ASN 65 13.541 7.778 -4.575 544 1HB ASN 65 HB2 ASN 65 14.096 5.476 -3.593 545 2HB ASN 65 HB1 ASN 65 12.373 5.323 -3.265 546 1HD2 ASN 65 HD21 ASN 65 12.059 3.630 -4.672 547 2HD2 ASN 65 HD22 ASN 65 12.142 3.808 -6.390 548 H GLY 66 HN GLY 66 11.837 8.993 -2.310 549 1HA GLY 66 HA2 GLY 66 9.296 8.844 -3.787 550 2HA GLY 66 HA1 GLY 66 9.320 8.744 -2.030 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -15.490 12.733 -2.941 2 2H MET 1 HT2 MET 1 -14.417 13.670 -2.018 3 3H MET 1 HT3 MET 1 -14.187 11.993 -2.143 4 HA MET 1 HA MET 1 -13.761 12.204 -4.507 5 1HB MET 1 HB2 MET 1 -15.128 14.315 -4.731 6 2HB MET 1 HB1 MET 1 -13.796 15.183 -3.978 7 1HG MET 1 HG2 MET 1 -13.744 15.410 -6.389 8 2HG MET 1 HG1 MET 1 -12.327 14.542 -5.800 9 1HE MET 1 HE1 MET 1 -15.842 14.194 -7.543 10 2HE MET 1 HE2 MET 1 -15.972 13.121 -6.150 11 3HE MET 1 HE3 MET 1 -15.938 12.450 -7.781 12 H GLN 2 HN GLN 2 -12.607 14.731 -2.268 13 HA GLN 2 HA GLN 2 -9.887 13.637 -2.559 14 1HB GLN 2 HB2 GLN 2 -10.768 16.283 -1.373 15 2HB GLN 2 HB1 GLN 2 -9.109 15.758 -1.618 16 1HG GLN 2 HG2 GLN 2 -11.106 16.208 -3.821 17 2HG GLN 2 HG1 GLN 2 -9.895 17.375 -3.304 18 1HE2 GLN 2 HE21 GLN 2 -8.935 17.421 -5.310 19 2HE2 GLN 2 HE22 GLN 2 -7.977 16.110 -5.916 20 H HIS 3 HN HIS 3 -9.310 12.268 -0.998 21 HA HIS 3 HA HIS 3 -10.385 12.696 1.699 22 1HB HIS 3 HB2 HIS 3 -11.868 11.076 0.627 23 2HB HIS 3 HB1 HIS 3 -10.490 10.077 0.185 24 HD1 HIS 3 HD1 HIS 3 -12.001 11.454 3.413 25 HD2 HIS 3 HD2 HIS 3 -10.104 8.053 1.934 26 HE1 HIS 3 HE1 HIS 3 -11.959 9.809 5.320 27 HE2 HIS 3 HE2 HIS 3 -10.998 7.701 4.341 28 H GLU 4 HN GLU 4 -8.734 12.866 3.022 29 HA GLU 4 HA GLU 4 -6.426 11.106 2.612 30 1HB GLU 4 HB2 GLU 4 -6.772 13.580 4.310 31 2HB GLU 4 HB1 GLU 4 -5.353 12.544 4.386 32 1HG GLU 4 HG2 GLU 4 -5.017 12.957 1.946 33 2HG GLU 4 HG1 GLU 4 -6.320 14.141 2.028 34 H LEU 5 HN LEU 5 -5.717 9.773 4.279 35 HA LEU 5 HA LEU 5 -7.745 9.184 6.306 36 1HB LEU 5 HB2 LEU 5 -7.560 6.781 5.789 37 2HB LEU 5 HB1 LEU 5 -8.266 7.715 4.487 38 HG LEU 5 HG LEU 5 -5.342 7.069 4.408 39 1HD1 LEU 5 HD11 LEU 5 -5.852 5.007 3.216 40 2HD1 LEU 5 HD12 LEU 5 -7.573 5.241 3.528 41 3HD1 LEU 5 HD13 LEU 5 -6.465 4.946 4.870 42 1HD2 LEU 5 HD21 LEU 5 -6.318 8.622 2.773 43 2HD2 LEU 5 HD22 LEU 5 -7.457 7.365 2.287 44 3HD2 LEU 5 HD23 LEU 5 -5.729 7.141 2.017 45 H GLN 6 HN GLN 6 -6.970 7.508 7.836 46 HA GLN 6 HA GLN 6 -4.205 8.119 8.595 47 1HB GLN 6 HB2 GLN 6 -4.909 7.475 10.857 48 2HB GLN 6 HB1 GLN 6 -5.961 8.721 10.208 49 1HG GLN 6 HG2 GLN 6 -7.574 6.919 9.592 50 2HG GLN 6 HG1 GLN 6 -6.545 5.787 10.468 51 1HE2 GLN 6 HE21 GLN 6 -7.003 9.091 11.466 52 2HE2 GLN 6 HE22 GLN 6 -7.942 8.741 12.882 53 HA PRO 7 HA PRO 7 -2.258 4.144 8.315 54 1HB PRO 7 HB2 PRO 7 -3.006 3.788 11.199 55 2HB PRO 7 HB1 PRO 7 -1.501 3.362 10.374 56 1HG PRO 7 HG2 PRO 7 -1.743 5.633 11.793 57 2HG PRO 7 HG1 PRO 7 -0.746 5.536 10.332 58 1HD PRO 7 HD2 PRO 7 -3.250 6.975 10.767 59 2HD PRO 7 HD1 PRO 7 -2.086 7.132 9.441 60 H ASP 8 HN ASP 8 -5.241 3.963 10.309 61 HA ASP 8 HA ASP 8 -5.818 1.431 8.941 62 1HB ASP 8 HB2 ASP 8 -5.892 1.603 11.501 63 2HB ASP 8 HB1 ASP 8 -7.376 2.527 11.278 64 H SER 9 HN SER 9 -6.726 1.896 7.080 65 HA SER 9 HA SER 9 -9.420 2.619 6.926 66 1HB SER 9 HB2 SER 9 -8.286 4.932 7.260 67 2HB SER 9 HB1 SER 9 -7.668 4.720 5.615 68 HG SER 9 HG SER 9 -10.399 4.710 6.424 69 H LEU 10 HN LEU 10 -9.853 3.094 4.366 70 HA LEU 10 HA LEU 10 -8.524 0.759 3.194 71 1HB LEU 10 HB2 LEU 10 -11.225 1.956 2.599 72 2HB LEU 10 HB1 LEU 10 -10.550 0.553 1.793 73 HG LEU 10 HG LEU 10 -11.214 0.723 4.734 74 1HD1 LEU 10 HD11 LEU 10 -13.026 -0.820 4.197 75 2HD1 LEU 10 HD12 LEU 10 -12.613 -0.713 2.485 76 3HD1 LEU 10 HD13 LEU 10 -13.207 0.711 3.340 77 1HD2 LEU 10 HD21 LEU 10 -10.291 -1.611 3.059 78 2HD2 LEU 10 HD22 LEU 10 -10.772 -1.676 4.754 79 3HD2 LEU 10 HD23 LEU 10 -9.334 -0.772 4.281 80 H VAL 11 HN VAL 11 -6.939 1.340 1.918 81 HA VAL 11 HA VAL 11 -7.456 3.340 -0.181 82 HB VAL 11 HB VAL 11 -4.989 3.082 -0.688 83 1HG1 VAL 11 HG11 VAL 11 -5.713 4.054 2.065 84 2HG1 VAL 11 HG12 VAL 11 -5.807 4.981 0.568 85 3HG1 VAL 11 HG13 VAL 11 -4.239 4.460 1.187 86 1HG2 VAL 11 HG21 VAL 11 -4.976 1.616 1.942 87 2HG2 VAL 11 HG22 VAL 11 -3.554 2.115 1.025 88 3HG2 VAL 11 HG23 VAL 11 -4.654 0.909 0.361 89 H ASP 12 HN ASP 12 -6.838 2.661 -2.421 90 HA ASP 12 HA ASP 12 -7.556 -0.172 -2.711 91 1HB ASP 12 HB2 ASP 12 -9.279 1.426 -3.485 92 2HB ASP 12 HB1 ASP 12 -8.123 2.095 -4.629 93 H LEU 13 HN LEU 13 -6.771 -1.302 -4.615 94 HA LEU 13 HA LEU 13 -4.043 -1.253 -4.973 95 1HB LEU 13 HB2 LEU 13 -5.567 -3.077 -5.639 96 2HB LEU 13 HB1 LEU 13 -6.109 -2.103 -6.991 97 HG LEU 13 HG LEU 13 -3.812 -2.150 -7.919 98 1HD1 LEU 13 HD11 LEU 13 -2.184 -3.724 -7.002 99 2HD1 LEU 13 HD12 LEU 13 -3.276 -4.075 -5.661 100 3HD1 LEU 13 HD13 LEU 13 -2.585 -2.462 -5.836 101 1HD2 LEU 13 HD21 LEU 13 -3.849 -4.530 -8.584 102 2HD2 LEU 13 HD22 LEU 13 -5.424 -3.746 -8.723 103 3HD2 LEU 13 HD23 LEU 13 -5.089 -4.822 -7.364 104 H LYS 14 HN LYS 14 -6.496 0.207 -7.112 105 HA LYS 14 HA LYS 14 -4.641 1.335 -8.924 106 1HB LYS 14 HB2 LYS 14 -7.211 0.964 -9.139 107 2HB LYS 14 HB1 LYS 14 -7.344 2.521 -8.337 108 1HG LYS 14 HG2 LYS 14 -5.785 2.099 -10.868 109 2HG LYS 14 HG1 LYS 14 -7.482 2.571 -10.833 110 1HD LYS 14 HD2 LYS 14 -6.940 4.602 -9.666 111 2HD LYS 14 HD1 LYS 14 -5.254 4.107 -9.513 112 1HE LYS 14 HE2 LYS 14 -5.038 4.152 -11.961 113 2HE LYS 14 HE1 LYS 14 -6.712 4.690 -12.089 114 1HZ LYS 14 HZ1 LYS 14 -4.572 6.174 -10.666 115 2HZ LYS 14 HZ2 LYS 14 -6.157 6.704 -10.930 116 3HZ LYS 14 HZ3 LYS 14 -5.094 6.518 -12.238 117 H PHE 15 HN PHE 15 -6.147 2.431 -5.979 118 HA PHE 15 HA PHE 15 -5.331 5.097 -5.968 119 1HB PHE 15 HB2 PHE 15 -6.941 3.930 -4.374 120 2HB PHE 15 HB1 PHE 15 -5.518 3.365 -3.507 121 HD1 PHE 15 HD1 PHE 15 -7.375 6.386 -4.525 122 HD2 PHE 15 HD2 PHE 15 -4.334 4.762 -2.033 123 HE1 PHE 15 HE1 PHE 15 -7.302 8.491 -3.253 124 HE2 PHE 15 HE2 PHE 15 -4.255 6.860 -0.753 125 HZ PHE 15 HZ PHE 15 -5.741 8.731 -1.361 126 H ILE 16 HN ILE 16 -3.635 2.176 -4.859 127 HA ILE 16 HA ILE 16 -1.352 3.331 -3.779 128 HB ILE 16 HB ILE 16 -1.218 0.842 -5.466 129 1HG1 ILE 16 HG12 ILE 16 -2.182 1.024 -2.602 130 2HG1 ILE 16 HG11 ILE 16 -3.228 0.729 -3.983 131 1HG2 ILE 16 HG21 ILE 16 0.194 1.757 -2.964 132 2HG2 ILE 16 HG22 ILE 16 0.883 1.663 -4.587 133 3HG2 ILE 16 HG23 ILE 16 0.422 0.188 -3.733 134 1HD1 ILE 16 HD11 ILE 16 -1.012 -1.058 -3.021 135 2HD1 ILE 16 HD12 ILE 16 -2.034 -1.358 -4.428 136 3HD1 ILE 16 HD13 ILE 16 -2.742 -1.323 -2.811 137 H MET 17 HN MET 17 -2.223 2.812 -7.154 138 HA MET 17 HA MET 17 0.256 3.558 -8.299 139 1HB MET 17 HB2 MET 17 -2.539 3.783 -9.435 140 2HB MET 17 HB1 MET 17 -1.058 3.974 -10.363 141 1HG MET 17 HG2 MET 17 -0.443 1.670 -9.879 142 2HG MET 17 HG1 MET 17 -1.904 1.475 -8.914 143 1HE MET 17 HE1 MET 17 -2.507 -0.701 -10.350 144 2HE MET 17 HE2 MET 17 -1.037 -0.465 -11.295 145 3HE MET 17 HE3 MET 17 -2.582 -0.709 -12.112 146 H ALA 18 HN ALA 18 -2.547 5.392 -7.236 147 HA ALA 18 HA ALA 18 -1.552 7.927 -8.105 148 1HB ALA 18 HB1 ALA 18 -3.583 7.328 -5.954 149 2HB ALA 18 HB2 ALA 18 -3.940 7.546 -7.669 150 3HB ALA 18 HB3 ALA 18 -3.301 8.890 -6.722 151 H ASP 19 HN ASP 19 -1.197 5.934 -5.294 152 HA ASP 19 HA ASP 19 -0.132 7.774 -3.465 153 1HB ASP 19 HB2 ASP 19 -0.932 5.459 -2.944 154 2HB ASP 19 HB1 ASP 19 0.503 4.820 -3.731 155 H THR 20 HN THR 20 1.523 5.527 -5.686 156 HA THR 20 HA THR 20 3.970 7.131 -5.339 157 HB THR 20 HB THR 20 5.115 5.021 -6.250 158 HG1 THR 20 HG1 THR 20 2.830 3.690 -5.238 159 1HG2 THR 20 HG21 THR 20 3.776 4.911 -3.545 160 2HG2 THR 20 HG22 THR 20 5.269 5.774 -3.915 161 3HG2 THR 20 HG23 THR 20 5.215 4.016 -4.032 162 H GLY 21 HN GLY 21 2.465 5.019 -7.778 163 1HA GLY 21 HA2 GLY 21 1.894 6.218 -9.925 164 2HA GLY 21 HA1 GLY 21 3.546 6.816 -9.855 165 H PHE 22 HN PHE 22 3.030 3.611 -8.747 166 HA PHE 22 HA PHE 22 4.278 2.617 -11.222 167 1HB PHE 22 HB2 PHE 22 4.703 1.651 -8.393 168 2HB PHE 22 HB1 PHE 22 5.438 0.951 -9.833 169 HD1 PHE 22 HD1 PHE 22 5.564 3.623 -7.404 170 HD2 PHE 22 HD2 PHE 22 7.114 2.234 -11.114 171 HE1 PHE 22 HE1 PHE 22 7.436 5.206 -7.207 172 HE2 PHE 22 HE2 PHE 22 8.992 3.814 -10.923 173 HZ PHE 22 HZ PHE 22 9.165 5.287 -8.966 174 H GLY 23 HN GLY 23 4.138 0.009 -11.056 175 1HA GLY 23 HA2 GLY 23 1.244 -0.437 -11.168 176 2HA GLY 23 HA1 GLY 23 2.452 -1.334 -12.070 177 H LYS 24 HN LYS 24 0.802 -2.917 -11.100 178 HA LYS 24 HA LYS 24 0.511 -3.624 -8.496 179 1HB LYS 24 HB2 LYS 24 0.125 -5.956 -9.337 180 2HB LYS 24 HB1 LYS 24 -0.782 -4.700 -10.172 181 1HG LYS 24 HG2 LYS 24 0.849 -4.748 -11.999 182 2HG LYS 24 HG1 LYS 24 1.740 -6.019 -11.162 183 1HD LYS 24 HD2 LYS 24 0.330 -6.970 -12.894 184 2HD LYS 24 HD1 LYS 24 -0.228 -7.476 -11.298 185 1HE LYS 24 HE2 LYS 24 -2.003 -5.841 -11.355 186 2HE LYS 24 HE1 LYS 24 -1.410 -5.201 -12.888 187 1HZ LYS 24 HZ1 LYS 24 -2.381 -7.983 -12.499 188 2HZ LYS 24 HZ2 LYS 24 -1.955 -7.250 -13.968 189 3HZ LYS 24 HZ3 LYS 24 -3.322 -6.715 -13.123 190 H THR 25 HN THR 25 3.142 -4.815 -10.597 191 HA THR 25 HA THR 25 4.137 -6.693 -8.792 192 HB THR 25 HB THR 25 4.728 -6.740 -11.153 193 HG1 THR 25 HG1 THR 25 6.172 -7.625 -9.480 194 1HG2 THR 25 HG21 THR 25 6.407 -5.203 -12.078 195 2HG2 THR 25 HG22 THR 25 6.380 -4.278 -10.577 196 3HG2 THR 25 HG23 THR 25 4.938 -4.355 -11.590 197 H PHE 26 HN PHE 26 5.017 -3.287 -9.244 198 HA PHE 26 HA PHE 26 7.139 -3.176 -7.419 199 1HB PHE 26 HB2 PHE 26 6.915 -1.367 -8.909 200 2HB PHE 26 HB1 PHE 26 5.204 -1.171 -8.557 201 HD1 PHE 26 HD1 PHE 26 4.472 0.064 -6.614 202 HD2 PHE 26 HD2 PHE 26 8.597 -0.463 -7.480 203 HE1 PHE 26 HE1 PHE 26 5.034 1.832 -4.988 204 HE2 PHE 26 HE2 PHE 26 9.173 1.294 -5.860 205 HZ PHE 26 HZ PHE 26 7.309 2.512 -4.657 206 H ILE 27 HN ILE 27 3.676 -2.574 -7.081 207 HA ILE 27 HA ILE 27 3.623 -1.683 -4.446 208 HB ILE 27 HB ILE 27 1.518 -3.319 -5.864 209 1HG1 ILE 27 HG12 ILE 27 1.779 -0.310 -5.686 210 2HG1 ILE 27 HG11 ILE 27 2.314 -1.256 -7.072 211 1HG2 ILE 27 HG21 ILE 27 -0.047 -2.230 -4.331 212 2HG2 ILE 27 HG22 ILE 27 1.300 -1.423 -3.524 213 3HG2 ILE 27 HG23 ILE 27 1.154 -3.182 -3.457 214 1HD1 ILE 27 HD11 ILE 27 0.010 -2.043 -7.390 215 2HD1 ILE 27 HD12 ILE 27 0.164 -0.289 -7.514 216 3HD1 ILE 27 HD13 ILE 27 -0.503 -1.015 -6.050 217 H TYR 28 HN TYR 28 2.896 -4.987 -5.589 218 HA TYR 28 HA TYR 28 2.515 -6.032 -3.026 219 1HB TYR 28 HB2 TYR 28 3.198 -7.347 -5.652 220 2HB TYR 28 HB1 TYR 28 2.968 -8.280 -4.178 221 HD1 TYR 28 HD1 TYR 28 1.165 -5.403 -5.749 222 HD2 TYR 28 HD2 TYR 28 0.897 -9.352 -4.174 223 HE1 TYR 28 HE1 TYR 28 -1.253 -5.392 -6.146 224 HE2 TYR 28 HE2 TYR 28 -1.526 -9.351 -4.573 225 HH TYR 28 HH TYR 28 -3.074 -6.937 -6.449 226 H ASP 29 HN ASP 29 5.461 -5.819 -4.993 227 HA ASP 29 HA ASP 29 7.148 -7.242 -3.227 228 1HB ASP 29 HB2 ASP 29 7.920 -6.719 -5.461 229 2HB ASP 29 HB1 ASP 29 7.770 -4.991 -5.152 230 H ARG 30 HN ARG 30 6.615 -3.750 -3.595 231 HA ARG 30 HA ARG 30 8.379 -2.920 -1.596 232 1HB ARG 30 HB2 ARG 30 5.870 -1.573 -2.594 233 2HB ARG 30 HB1 ARG 30 7.095 -0.799 -1.607 234 1HG ARG 30 HG2 ARG 30 7.623 -1.949 -4.325 235 2HG ARG 30 HG1 ARG 30 7.182 -0.269 -4.033 236 1HD ARG 30 HD2 ARG 30 9.445 -0.069 -4.068 237 2HD ARG 30 HD1 ARG 30 9.205 -0.400 -2.351 238 HE ARG 30 HE ARG 30 9.644 -2.811 -3.061 239 1HH1 ARG 30 HH11 ARG 30 11.143 -0.021 -4.581 240 2HH1 ARG 30 HH12 ARG 30 12.523 -0.922 -5.136 241 1HH2 ARG 30 HH21 ARG 30 11.415 -3.979 -3.819 242 2HH2 ARG 30 HH22 ARG 30 12.687 -3.159 -4.685 243 H ILE 31 HN ILE 31 4.871 -3.436 -1.459 244 HA ILE 31 HA ILE 31 4.640 -2.458 1.180 245 HB ILE 31 HB ILE 31 2.751 -3.997 -0.587 246 1HG1 ILE 31 HG12 ILE 31 1.404 -1.880 -0.237 247 2HG1 ILE 31 HG11 ILE 31 2.802 -1.219 0.619 248 1HG2 ILE 31 HG21 ILE 31 1.039 -3.826 1.116 249 2HG2 ILE 31 HG22 ILE 31 2.191 -3.095 2.234 250 3HG2 ILE 31 HG23 ILE 31 2.401 -4.772 1.724 251 1HD1 ILE 31 HD11 ILE 31 2.785 -2.113 -2.251 252 2HD1 ILE 31 HD12 ILE 31 4.120 -1.346 -1.392 253 3HD1 ILE 31 HD13 ILE 31 2.633 -0.446 -1.695 254 H LYS 32 HN LYS 32 4.840 -5.799 -0.092 255 HA LYS 32 HA LYS 32 4.638 -7.024 2.451 256 1HB LYS 32 HB2 LYS 32 5.955 -7.962 -0.085 257 2HB LYS 32 HB1 LYS 32 5.835 -8.951 1.363 258 1HG LYS 32 HG2 LYS 32 3.294 -8.430 1.178 259 2HG LYS 32 HG1 LYS 32 3.694 -8.056 -0.502 260 1HD LYS 32 HD2 LYS 32 4.318 -10.628 0.927 261 2HD LYS 32 HD1 LYS 32 3.001 -10.391 -0.223 262 1HE LYS 32 HE2 LYS 32 5.940 -10.078 -0.829 263 2HE LYS 32 HE1 LYS 32 4.961 -11.484 -1.248 264 1HZ LYS 32 HZ1 LYS 32 3.608 -10.085 -2.668 265 2HZ LYS 32 HZ2 LYS 32 5.239 -9.962 -3.121 266 3HZ LYS 32 HZ3 LYS 32 4.510 -8.718 -2.233 267 H SER 33 HN SER 33 7.419 -5.925 0.568 268 HA SER 33 HA SER 33 9.393 -6.798 2.384 269 1HB SER 33 HB2 SER 33 9.835 -6.215 0.015 270 2HB SER 33 HB1 SER 33 9.518 -4.522 0.391 271 HG SER 33 HG SER 33 11.565 -6.136 1.527 272 H GLY 34 HN GLY 34 7.297 -4.042 2.304 273 1HA GLY 34 HA2 GLY 34 8.618 -2.457 4.244 274 2HA GLY 34 HA1 GLY 34 6.899 -2.404 3.862 275 H ASP 35 HN ASP 35 5.674 -4.442 4.647 276 HA ASP 35 HA ASP 35 6.649 -6.045 6.714 277 1HB ASP 35 HB2 ASP 35 6.690 -3.823 7.951 278 2HB ASP 35 HB1 ASP 35 4.933 -3.814 7.822 279 H LEU 36 HN LEU 36 5.437 -7.224 5.084 280 HA LEU 36 HA LEU 36 3.538 -8.329 4.349 281 1HB LEU 36 HB2 LEU 36 3.574 -8.755 7.325 282 2HB LEU 36 HB1 LEU 36 2.738 -9.779 6.171 283 HG LEU 36 HG LEU 36 5.728 -9.341 6.253 284 1HD1 LEU 36 HD11 LEU 36 4.050 -11.687 7.129 285 2HD1 LEU 36 HD12 LEU 36 4.974 -10.609 8.176 286 3HD1 LEU 36 HD13 LEU 36 5.809 -11.666 7.037 287 1HD2 LEU 36 HD21 LEU 36 5.806 -11.174 4.638 288 2HD2 LEU 36 HD22 LEU 36 4.893 -9.803 4.006 289 3HD2 LEU 36 HD23 LEU 36 4.045 -11.228 4.607 290 HA PRO 37 HA PRO 37 0.570 -4.925 4.669 291 1HB PRO 37 HB2 PRO 37 -1.238 -6.371 3.014 292 2HB PRO 37 HB1 PRO 37 -0.170 -5.046 2.551 293 1HG PRO 37 HG2 PRO 37 0.208 -7.967 2.253 294 2HG PRO 37 HG1 PRO 37 0.849 -6.635 1.274 295 1HD PRO 37 HD2 PRO 37 2.410 -8.015 2.948 296 2HD PRO 37 HD1 PRO 37 2.629 -6.267 2.710 297 H LYS 38 HN LYS 38 -1.019 -4.524 6.023 298 HA LYS 38 HA LYS 38 -2.269 -6.762 7.401 299 1HB LYS 38 HB2 LYS 38 -2.413 -3.802 7.998 300 2HB LYS 38 HB1 LYS 38 -3.097 -5.076 8.995 301 1HG LYS 38 HG2 LYS 38 -1.092 -4.423 10.044 302 2HG LYS 38 HG1 LYS 38 -0.736 -5.960 9.248 303 1HD LYS 38 HD2 LYS 38 0.215 -4.741 7.355 304 2HD LYS 38 HD1 LYS 38 -0.097 -3.212 8.183 305 1HE LYS 38 HE2 LYS 38 2.212 -3.783 8.478 306 2HE LYS 38 HE1 LYS 38 1.385 -3.976 10.024 307 1HZ LYS 38 HZ1 LYS 38 2.980 -5.791 9.312 308 2HZ LYS 38 HZ2 LYS 38 1.800 -6.255 8.189 309 3HZ LYS 38 HZ3 LYS 38 1.450 -6.283 9.852 310 H ALA 39 HN ALA 39 -2.743 -4.937 4.760 311 HA ALA 39 HA ALA 39 -5.300 -4.151 4.471 312 1HB ALA 39 HB1 ALA 39 -3.604 -4.087 2.713 313 2HB ALA 39 HB2 ALA 39 -5.124 -4.765 2.129 314 3HB ALA 39 HB3 ALA 39 -3.766 -5.830 2.494 315 H LYS 40 HN LYS 40 -7.095 -5.202 3.290 316 HA LYS 40 HA LYS 40 -7.646 -7.763 4.613 317 1HB LYS 40 HB2 LYS 40 -9.533 -5.576 3.705 318 2HB LYS 40 HB1 LYS 40 -10.054 -7.130 4.339 319 1HG LYS 40 HG2 LYS 40 -10.210 -5.602 6.128 320 2HG LYS 40 HG1 LYS 40 -8.775 -6.577 6.441 321 1HD LYS 40 HD2 LYS 40 -7.420 -4.726 5.384 322 2HD LYS 40 HD1 LYS 40 -8.895 -3.751 5.389 323 1HE LYS 40 HE2 LYS 40 -7.630 -4.993 7.826 324 2HE LYS 40 HE1 LYS 40 -7.402 -3.322 7.323 325 1HZ LYS 40 HZ1 LYS 40 -9.669 -2.848 7.733 326 2HZ LYS 40 HZ2 LYS 40 -9.107 -3.696 9.086 327 3HZ LYS 40 HZ3 LYS 40 -10.065 -4.486 7.934 328 H VAL 41 HN VAL 41 -6.704 -8.987 3.030 329 HA VAL 41 HA VAL 41 -7.814 -8.798 0.311 330 HB VAL 41 HB VAL 41 -5.251 -10.122 1.215 331 1HG1 VAL 41 HG11 VAL 41 -6.310 -9.482 -1.529 332 2HG1 VAL 41 HG12 VAL 41 -6.113 -11.085 -0.822 333 3HG1 VAL 41 HG13 VAL 41 -4.696 -10.101 -1.184 334 1HG2 VAL 41 HG21 VAL 41 -5.641 -7.436 -0.105 335 2HG2 VAL 41 HG22 VAL 41 -4.091 -8.202 0.240 336 3HG2 VAL 41 HG23 VAL 41 -5.144 -7.706 1.566 337 H ILE 42 HN ILE 42 -9.001 -10.455 -0.458 338 HA ILE 42 HA ILE 42 -9.074 -12.903 1.167 339 HB ILE 42 HB ILE 42 -11.055 -11.068 1.096 340 1HG1 ILE 42 HG12 ILE 42 -10.893 -12.979 2.634 341 2HG1 ILE 42 HG11 ILE 42 -12.529 -12.756 2.034 342 1HG2 ILE 42 HG21 ILE 42 -11.564 -11.316 -1.225 343 2HG2 ILE 42 HG22 ILE 42 -12.904 -11.949 -0.269 344 3HG2 ILE 42 HG23 ILE 42 -11.769 -13.058 -1.037 345 1HD1 ILE 42 HD11 ILE 42 -12.200 -14.602 0.473 346 2HD1 ILE 42 HD12 ILE 42 -11.944 -15.100 2.145 347 3HD1 ILE 42 HD13 ILE 42 -10.561 -14.824 1.085 348 H HIS 43 HN HIS 43 -8.541 -11.620 -1.907 349 HA HIS 43 HA HIS 43 -8.278 -14.290 -2.961 350 1HB HIS 43 HB2 HIS 43 -9.572 -13.815 -5.061 351 2HB HIS 43 HB1 HIS 43 -10.554 -13.999 -3.619 352 HD1 HIS 43 HD1 HIS 43 -12.300 -12.279 -3.316 353 HD2 HIS 43 HD2 HIS 43 -9.221 -10.937 -5.772 354 HE1 HIS 43 HE1 HIS 43 -13.009 -10.002 -4.117 355 HE2 HIS 43 HE2 HIS 43 -11.057 -9.138 -5.451 356 H GLY 44 HN GLY 44 -6.235 -12.755 -2.386 357 1HA GLY 44 HA2 GLY 44 -4.216 -12.186 -3.379 358 2HA GLY 44 HA1 GLY 44 -4.970 -12.377 -4.954 359 H ARG 45 HN ARG 45 -7.125 -10.539 -4.322 360 HA ARG 45 HA ARG 45 -5.823 -7.968 -3.818 361 1HB ARG 45 HB2 ARG 45 -7.750 -8.386 -6.126 362 2HB ARG 45 HB1 ARG 45 -6.840 -6.931 -5.750 363 1HG ARG 45 HG2 ARG 45 -4.777 -8.017 -6.358 364 2HG ARG 45 HG1 ARG 45 -5.625 -9.539 -6.621 365 1HD ARG 45 HD2 ARG 45 -7.006 -8.275 -8.353 366 2HD ARG 45 HD1 ARG 45 -5.784 -7.007 -8.228 367 HE ARG 45 HE ARG 45 -4.308 -9.238 -8.654 368 1HH1 ARG 45 HH11 ARG 45 -6.950 -7.696 -10.371 369 2HH1 ARG 45 HH12 ARG 45 -6.573 -8.462 -11.884 370 1HH2 ARG 45 HH21 ARG 45 -3.816 -10.233 -10.651 371 2HH2 ARG 45 HH22 ARG 45 -4.799 -9.886 -12.048 372 H ALA 46 HN ALA 46 -7.493 -6.328 -3.234 373 HA ALA 46 HA ALA 46 -10.227 -6.761 -3.145 374 1HB ALA 46 HB1 ALA 46 -9.773 -8.573 -1.557 375 2HB ALA 46 HB2 ALA 46 -10.686 -7.267 -0.803 376 3HB ALA 46 HB3 ALA 46 -8.960 -7.432 -0.487 377 H ARG 47 HN ARG 47 -8.747 -5.724 -0.165 378 HA ARG 47 HA ARG 47 -8.811 -2.921 -1.027 379 1HB ARG 47 HB2 ARG 47 -10.132 -4.061 1.445 380 2HB ARG 47 HB1 ARG 47 -9.830 -2.346 1.207 381 1HG ARG 47 HG2 ARG 47 -11.298 -2.309 -0.705 382 2HG ARG 47 HG1 ARG 47 -11.527 -4.056 -0.600 383 1HD ARG 47 HD2 ARG 47 -12.615 -3.830 1.537 384 2HD ARG 47 HD1 ARG 47 -12.275 -2.101 1.567 385 HE ARG 47 HE ARG 47 -13.753 -2.001 -0.471 386 1HH1 ARG 47 HH11 ARG 47 -14.097 -4.536 1.913 387 2HH1 ARG 47 HH12 ARG 47 -15.809 -4.728 1.655 388 1HH2 ARG 47 HH21 ARG 47 -16.015 -2.233 -0.813 389 2HH2 ARG 47 HH22 ARG 47 -16.902 -3.413 0.111 390 H TRP 48 HN TRP 48 -7.122 -1.757 -0.240 391 HA TRP 48 HA TRP 48 -5.205 -3.325 1.318 392 1HB TRP 48 HB2 TRP 48 -4.833 -2.043 -1.049 393 2HB TRP 48 HB1 TRP 48 -4.310 -0.794 0.079 394 HD1 TRP 48 HD1 TRP 48 -2.372 -1.669 1.919 395 HE1 TRP 48 HE1 TRP 48 -0.379 -3.229 1.503 396 HE3 TRP 48 HE3 TRP 48 -3.961 -3.869 -2.410 397 HZ2 TRP 48 HZ2 TRP 48 0.433 -5.130 -0.424 398 HZ3 TRP 48 HZ3 TRP 48 -2.517 -5.546 -3.479 399 HH2 TRP 48 HH2 TRP 48 -0.363 -6.163 -2.505 400 H LEU 49 HN LEU 49 -4.144 -2.427 3.104 401 HA LEU 49 HA LEU 49 -5.706 -0.395 4.454 402 1HB LEU 49 HB2 LEU 49 -5.096 -2.685 5.422 403 2HB LEU 49 HB1 LEU 49 -3.468 -2.052 5.582 404 HG LEU 49 HG LEU 49 -4.301 -0.278 7.021 405 1HD1 LEU 49 HD11 LEU 49 -6.945 -1.692 6.767 406 2HD1 LEU 49 HD12 LEU 49 -6.559 -0.092 6.135 407 3HD1 LEU 49 HD13 LEU 49 -6.596 -0.367 7.877 408 1HD2 LEU 49 HD21 LEU 49 -4.778 -1.659 8.968 409 2HD2 LEU 49 HD22 LEU 49 -3.504 -2.385 7.987 410 3HD2 LEU 49 HD23 LEU 49 -5.147 -3.025 7.915 411 H TYR 50 HN TYR 50 -4.850 1.496 5.148 412 HA TYR 50 HA TYR 50 -2.923 2.643 3.472 413 1HB TYR 50 HB2 TYR 50 -4.756 3.905 4.509 414 2HB TYR 50 HB1 TYR 50 -4.004 3.698 6.088 415 HD1 TYR 50 HD1 TYR 50 -3.305 5.084 2.693 416 HD2 TYR 50 HD2 TYR 50 -2.557 5.325 6.877 417 HE1 TYR 50 HE1 TYR 50 -1.996 7.142 2.343 418 HE2 TYR 50 HE2 TYR 50 -1.254 7.380 6.536 419 HH TYR 50 HH TYR 50 -0.131 8.593 4.922 420 H ARG 51 HN ARG 51 -2.679 1.557 6.845 421 HA ARG 51 HA ARG 51 -0.162 2.512 7.476 422 1HB ARG 51 HB2 ARG 51 -0.076 0.889 9.199 423 2HB ARG 51 HB1 ARG 51 -1.769 1.328 9.007 424 1HG ARG 51 HG2 ARG 51 -2.243 -0.681 7.843 425 2HG ARG 51 HG1 ARG 51 -0.526 -1.085 7.725 426 1HD ARG 51 HD2 ARG 51 -1.273 -2.411 9.465 427 2HD ARG 51 HD1 ARG 51 -0.565 -1.030 10.293 428 HE ARG 51 HE ARG 51 -3.268 -0.487 9.943 429 1HH1 ARG 51 HH11 ARG 51 -1.214 -2.684 11.719 430 2HH1 ARG 51 HH12 ARG 51 -2.426 -3.058 12.915 431 1HH2 ARG 51 HH21 ARG 51 -4.878 -0.966 11.533 432 2HH2 ARG 51 HH22 ARG 51 -4.483 -2.062 12.820 433 H ASP 52 HN ASP 52 -1.029 -0.254 5.507 434 HA ASP 52 HA ASP 52 1.465 -1.527 5.382 435 1HB ASP 52 HB2 ASP 52 -0.559 -1.345 3.142 436 2HB ASP 52 HB1 ASP 52 0.688 -2.570 3.340 437 H HIS 53 HN HIS 53 0.075 1.148 3.633 438 HA HIS 53 HA HIS 53 2.234 1.475 1.808 439 1HB HIS 53 HB2 HIS 53 0.139 3.448 2.756 440 2HB HIS 53 HB1 HIS 53 1.303 3.781 1.481 441 HD1 HIS 53 HD1 HIS 53 -0.626 4.111 -0.235 442 HD2 HIS 53 HD2 HIS 53 -0.415 0.296 1.439 443 HE1 HIS 53 HE1 HIS 53 -2.230 2.667 -1.569 444 HE2 HIS 53 HE2 HIS 53 -2.138 0.406 -0.478 445 H CYS 54 HN CYS 54 1.448 2.692 5.016 446 HA CYS 54 HA CYS 54 3.491 4.580 5.275 447 1HB CYS 54 HB2 CYS 54 2.348 2.794 7.435 448 2HB CYS 54 HB1 CYS 54 3.242 4.288 7.696 449 HG CYS 54 HG CYS 54 1.206 5.755 6.191 450 H GLU 55 HN GLU 55 3.469 1.095 6.010 451 HA GLU 55 HA GLU 55 6.119 0.959 6.946 452 1HB GLU 55 HB2 GLU 55 4.536 -1.234 5.599 453 2HB GLU 55 HB1 GLU 55 5.933 -1.433 6.653 454 1HG GLU 55 HG2 GLU 55 3.215 -0.410 7.454 455 2HG GLU 55 HG1 GLU 55 3.907 -1.988 7.832 456 H PHE 56 HN PHE 56 4.723 0.210 3.766 457 HA PHE 56 HA PHE 56 7.167 -0.543 2.620 458 1HB PHE 56 HB2 PHE 56 5.891 -1.184 0.919 459 2HB PHE 56 HB1 PHE 56 4.524 -0.646 1.878 460 HD1 PHE 56 HD1 PHE 56 6.967 0.526 -0.648 461 HD2 PHE 56 HD2 PHE 56 3.097 0.960 1.046 462 HE1 PHE 56 HE1 PHE 56 6.383 2.146 -2.404 463 HE2 PHE 56 HE2 PHE 56 2.496 2.565 -0.700 464 HZ PHE 56 HZ PHE 56 4.098 3.067 -2.496 465 H LYS 57 HN LYS 57 5.382 2.533 2.382 466 HA LYS 57 HA LYS 57 7.202 3.918 0.776 467 1HB LYS 57 HB2 LYS 57 5.332 4.896 2.933 468 2HB LYS 57 HB1 LYS 57 6.264 5.977 1.904 469 1HG LYS 57 HG2 LYS 57 4.293 3.939 0.903 470 2HG LYS 57 HG1 LYS 57 3.941 5.652 1.147 471 1HD LYS 57 HD2 LYS 57 6.255 4.813 -0.546 472 2HD LYS 57 HD1 LYS 57 4.620 4.804 -1.214 473 1HE LYS 57 HE2 LYS 57 5.933 7.177 0.089 474 2HE LYS 57 HE1 LYS 57 5.873 6.897 -1.650 475 1HZ LYS 57 HZ1 LYS 57 3.416 6.886 -1.468 476 2HZ LYS 57 HZ2 LYS 57 4.118 8.375 -1.052 477 3HZ LYS 57 HZ3 LYS 57 3.556 7.334 0.162 478 H ASN 58 HN ASN 58 7.184 3.198 4.153 479 HA ASN 58 HA ASN 58 9.134 4.942 5.103 480 1HB ASN 58 HB2 ASN 58 7.751 3.689 6.594 481 2HB ASN 58 HB1 ASN 58 8.287 2.160 5.907 482 1HD2 ASN 58 HD21 ASN 58 8.938 1.308 7.785 483 2HD2 ASN 58 HD22 ASN 58 10.316 1.881 8.682 484 H LYS 59 HN LYS 59 9.473 1.686 3.657 485 HA LYS 59 HA LYS 59 12.294 1.600 4.138 486 1HB LYS 59 HB2 LYS 59 12.186 -0.534 3.375 487 2HB LYS 59 HB1 LYS 59 10.465 -0.303 3.639 488 1HG LYS 59 HG2 LYS 59 10.555 0.550 1.146 489 2HG LYS 59 HG1 LYS 59 11.995 -0.468 1.105 490 1HD LYS 59 HD2 LYS 59 10.478 -2.256 2.178 491 2HD LYS 59 HD1 LYS 59 9.151 -1.234 1.620 492 1HE LYS 59 HE2 LYS 59 9.537 -2.863 -0.075 493 2HE LYS 59 HE1 LYS 59 10.174 -1.326 -0.675 494 1HZ LYS 59 HZ1 LYS 59 12.386 -2.019 -0.164 495 2HZ LYS 59 HZ2 LYS 59 11.665 -3.285 -1.033 496 3HZ LYS 59 HZ3 LYS 59 11.843 -3.406 0.646 497 H LEU 60 HN LEU 60 10.216 2.600 1.506 498 HA LEU 60 HA LEU 60 12.329 2.973 -0.388 499 1HB LEU 60 HB2 LEU 60 9.471 3.916 -0.268 500 2HB LEU 60 HB1 LEU 60 10.551 4.395 -1.560 501 HG LEU 60 HG LEU 60 9.679 1.558 -0.939 502 1HD1 LEU 60 HD11 LEU 60 7.958 2.925 -1.966 503 2HD1 LEU 60 HD12 LEU 60 8.560 1.685 -3.067 504 3HD1 LEU 60 HD13 LEU 60 9.074 3.364 -3.260 505 1HD2 LEU 60 HD21 LEU 60 11.508 2.629 -3.083 506 2HD2 LEU 60 HD22 LEU 60 10.891 0.977 -2.989 507 3HD2 LEU 60 HD23 LEU 60 11.974 1.590 -1.735 508 H LEU 61 HN LEU 61 10.560 5.056 1.848 509 HA LEU 61 HA LEU 61 11.790 7.495 1.176 510 1HB LEU 61 HB2 LEU 61 9.740 7.305 2.513 511 2HB LEU 61 HB1 LEU 61 10.649 6.563 3.812 512 HG LEU 61 HG LEU 61 11.897 8.651 4.137 513 1HD1 LEU 61 HD11 LEU 61 11.822 9.526 1.877 514 2HD1 LEU 61 HD12 LEU 61 11.130 10.699 2.998 515 3HD1 LEU 61 HD13 LEU 61 10.072 9.716 1.984 516 1HD2 LEU 61 HD21 LEU 61 9.859 8.240 5.419 517 2HD2 LEU 61 HD22 LEU 61 8.903 9.013 4.153 518 3HD2 LEU 61 HD23 LEU 61 10.067 9.958 5.081 519 H SER 62 HN SER 62 12.693 4.901 3.374 520 HA SER 62 HA SER 62 14.876 6.118 4.628 521 1HB SER 62 HB2 SER 62 13.862 3.962 5.332 522 2HB SER 62 HB1 SER 62 14.542 3.193 3.898 523 HG SER 62 HG SER 62 15.875 4.240 6.164 524 H ARG 63 HN ARG 63 14.510 4.756 1.448 525 HA ARG 63 HA ARG 63 17.378 5.040 0.920 526 1HB ARG 63 HB2 ARG 63 15.211 3.735 -0.736 527 2HB ARG 63 HB1 ARG 63 16.921 3.764 -1.130 528 1HG ARG 63 HG2 ARG 63 17.394 2.483 0.917 529 2HG ARG 63 HG1 ARG 63 15.660 2.408 1.242 530 1HD ARG 63 HD2 ARG 63 15.335 1.261 -0.912 531 2HD ARG 63 HD1 ARG 63 17.078 1.290 -1.173 532 HE ARG 63 HE ARG 63 16.011 -0.048 1.217 533 1HH1 ARG 63 HH11 ARG 63 17.658 -0.208 -1.871 534 2HH1 ARG 63 HH12 ARG 63 18.137 -1.870 -1.674 535 1HH2 ARG 63 HH21 ARG 63 16.632 -2.225 1.477 536 2HH2 ARG 63 HH22 ARG 63 17.568 -3.015 0.238 537 H ALA 64 HN ALA 64 15.225 7.173 1.120 538 HA ALA 64 HA ALA 64 14.735 9.171 0.182 539 1HB ALA 64 HB1 ALA 64 17.185 9.345 0.209 540 2HB ALA 64 HB2 ALA 64 16.457 10.254 -1.115 541 3HB ALA 64 HB3 ALA 64 17.234 8.703 -1.432 542 H ASN 65 HN ASN 65 13.413 6.958 -0.981 543 HA ASN 65 HA ASN 65 13.258 7.570 -3.826 544 1HB ASN 65 HB2 ASN 65 13.079 5.222 -3.090 545 2HB ASN 65 HB1 ASN 65 11.657 5.629 -2.136 546 1HD2 ASN 65 HD21 ASN 65 9.685 5.994 -3.176 547 2HD2 ASN 65 HD22 ASN 65 9.444 5.572 -4.839 548 H GLY 66 HN GLY 66 10.996 7.451 -1.092 549 1HA GLY 66 HA2 GLY 66 9.418 9.112 -0.530 550 2HA GLY 66 HA1 GLY 66 9.621 9.811 -2.134
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