NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22295 | 2jng | 15109 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 4 HN MET 4 9.316 4.039 -17.227 2 HA MET 4 HA MET 4 10.057 1.525 -16.036 3 1HB MET 4 HB2 MET 4 11.938 3.087 -15.455 4 2HB MET 4 HB1 MET 4 10.767 4.110 -14.635 5 1HG MET 4 HG2 MET 4 10.761 1.335 -13.756 6 2HG MET 4 HG1 MET 4 12.292 2.174 -13.471 7 1HE MET 4 HE1 MET 4 11.176 5.195 -11.277 8 2HE MET 4 HE2 MET 4 11.333 5.175 -13.034 9 3HE MET 4 HE3 MET 4 12.526 4.347 -12.023 10 H ARG 5 HN ARG 5 8.976 1.739 -13.563 11 HA ARG 5 HA ARG 5 6.230 1.900 -14.003 12 1HB ARG 5 HB2 ARG 5 7.758 1.995 -11.403 13 2HB ARG 5 HB1 ARG 5 6.021 1.746 -11.537 14 1HG ARG 5 HG2 ARG 5 6.400 -0.312 -12.790 15 2HG ARG 5 HG1 ARG 5 8.142 -0.068 -12.667 16 1HD ARG 5 HD2 ARG 5 7.893 -0.103 -10.176 17 2HD ARG 5 HD1 ARG 5 6.212 -0.596 -10.413 18 HE ARG 5 HE ARG 5 7.356 -2.474 -11.816 19 1HH1 ARG 5 HH11 ARG 5 8.463 -1.132 -8.771 20 2HH1 ARG 5 HH12 ARG 5 9.391 -2.547 -8.347 21 1HH2 ARG 5 HH21 ARG 5 8.508 -4.343 -11.222 22 2HH2 ARG 5 HH22 ARG 5 9.357 -4.385 -9.713 23 H SER 6 HN SER 6 8.502 4.358 -13.035 24 HA SER 6 HA SER 6 6.642 6.336 -12.166 25 1HB SER 6 HB2 SER 6 9.154 6.313 -11.817 26 2HB SER 6 HB1 SER 6 9.313 6.848 -13.480 27 HG SER 6 HG SER 6 8.415 8.770 -12.978 28 H GLU 7 HN GLU 7 6.332 4.858 -14.857 29 HA GLU 7 HA GLU 7 6.617 6.420 -17.106 30 1HB GLU 7 HB2 GLU 7 5.975 4.031 -16.969 31 2HB GLU 7 HB1 GLU 7 4.365 4.518 -16.459 32 1HG GLU 7 HG2 GLU 7 4.208 5.775 -18.621 33 2HG GLU 7 HG1 GLU 7 5.686 4.960 -19.101 34 H PHE 8 HN PHE 8 4.363 6.829 -14.503 35 HA PHE 8 HA PHE 8 2.187 8.060 -15.705 36 1HB PHE 8 HB2 PHE 8 3.468 8.755 -13.035 37 2HB PHE 8 HB1 PHE 8 1.831 9.163 -13.536 38 HD1 PHE 8 HD1 PHE 8 0.161 7.340 -13.907 39 HD2 PHE 8 HD2 PHE 8 4.003 6.640 -12.209 40 HE1 PHE 8 HE1 PHE 8 -0.627 5.183 -13.046 41 HE2 PHE 8 HE2 PHE 8 3.209 4.474 -11.327 42 HZ PHE 8 HZ PHE 8 0.884 3.739 -11.729 43 H ALA 9 HN ALA 9 1.615 10.382 -15.692 44 HA ALA 9 HA ALA 9 3.167 11.694 -17.563 45 1HB ALA 9 HB1 ALA 9 0.805 12.150 -17.141 46 2HB ALA 9 HB2 ALA 9 1.767 13.634 -17.205 47 3HB ALA 9 HB3 ALA 9 1.248 12.982 -15.653 48 H SER 10 HN SER 10 3.054 12.363 -14.090 49 HA SER 10 HA SER 10 5.553 13.888 -14.419 50 1HB SER 10 HB2 SER 10 3.535 14.033 -12.136 51 2HB SER 10 HB1 SER 10 4.944 15.088 -12.345 52 HG SER 10 HG SER 10 3.968 15.745 -14.377 53 H GLY 11 HN GLY 11 4.261 10.996 -13.346 54 1HA GLY 11 HA2 GLY 11 5.353 9.192 -12.366 55 2HA GLY 11 HA1 GLY 11 6.741 10.235 -12.095 56 H ASN 12 HN ASN 12 4.260 11.938 -10.887 57 HA ASN 12 HA ASN 12 4.968 11.458 -8.203 58 1HB ASN 12 HB2 ASN 12 2.634 13.032 -9.316 59 2HB ASN 12 HB1 ASN 12 3.143 13.047 -7.628 60 1HD2 ASN 12 HD21 ASN 12 3.652 15.173 -7.497 61 2HD2 ASN 12 HD22 ASN 12 4.947 15.906 -8.386 62 H THR 13 HN THR 13 2.382 10.258 -10.258 63 HA THR 13 HA THR 13 0.735 9.221 -8.259 64 HB THR 13 HB THR 13 1.141 7.945 -10.979 65 HG1 THR 13 HG1 THR 13 -0.582 10.161 -10.477 66 1HG2 THR 13 HG21 THR 13 -1.251 7.540 -10.798 67 2HG2 THR 13 HG22 THR 13 -1.290 8.352 -9.230 68 3HG2 THR 13 HG23 THR 13 -0.399 6.834 -9.422 69 H TYR 14 HN TYR 14 3.657 8.071 -9.765 70 HA TYR 14 HA TYR 14 3.595 5.434 -8.815 71 1HB TYR 14 HB2 TYR 14 5.096 6.110 -10.627 72 2HB TYR 14 HB1 TYR 14 5.915 7.224 -9.564 73 HD1 TYR 14 HD1 TYR 14 5.023 3.577 -9.510 74 HD2 TYR 14 HD2 TYR 14 8.004 6.557 -8.892 75 HE1 TYR 14 HE1 TYR 14 6.661 1.835 -8.907 76 HE2 TYR 14 HE2 TYR 14 9.633 4.819 -8.309 77 HH TYR 14 HH TYR 14 9.725 2.549 -7.514 78 H ALA 15 HN ALA 15 5.070 8.411 -7.588 79 HA ALA 15 HA ALA 15 6.104 7.502 -5.207 80 1HB ALA 15 HB1 ALA 15 4.806 10.175 -5.731 81 2HB ALA 15 HB2 ALA 15 6.486 9.754 -6.077 82 3HB ALA 15 HB3 ALA 15 5.909 9.791 -4.418 83 H LEU 16 HN LEU 16 2.798 8.267 -6.051 84 HA LEU 16 HA LEU 16 1.796 8.240 -3.403 85 1HB LEU 16 HB2 LEU 16 0.658 9.467 -5.135 86 2HB LEU 16 HB1 LEU 16 0.422 7.988 -6.069 87 HG LEU 16 HG LEU 16 -1.004 7.156 -4.187 88 1HD1 LEU 16 HD11 LEU 16 -0.785 10.008 -3.244 89 2HD1 LEU 16 HD12 LEU 16 -0.127 8.577 -2.422 90 3HD1 LEU 16 HD13 LEU 16 -1.881 8.776 -2.601 91 1HD2 LEU 16 HD21 LEU 16 -2.925 8.530 -4.792 92 2HD2 LEU 16 HD22 LEU 16 -1.957 8.067 -6.189 93 3HD2 LEU 16 HD23 LEU 16 -1.849 9.698 -5.534 94 H TYR 17 HN TYR 17 1.775 5.999 -6.126 95 HA TYR 17 HA TYR 17 0.323 3.884 -5.053 96 1HB TYR 17 HB2 TYR 17 0.829 3.960 -7.396 97 2HB TYR 17 HB1 TYR 17 2.563 3.960 -7.073 98 HD1 TYR 17 HD1 TYR 17 3.728 1.910 -6.909 99 HD2 TYR 17 HD2 TYR 17 -0.522 1.876 -6.839 100 HE1 TYR 17 HE1 TYR 17 3.757 -0.546 -7.136 101 HE2 TYR 17 HE2 TYR 17 -0.515 -0.577 -7.064 102 HH TYR 17 HH TYR 17 2.314 -2.448 -6.658 103 H VAL 18 HN VAL 18 3.836 4.255 -5.188 104 HA VAL 18 HA VAL 18 4.383 1.978 -3.654 105 HB VAL 18 HB VAL 18 6.647 2.872 -3.301 106 1HG1 VAL 18 HG11 VAL 18 6.077 1.685 -5.356 107 2HG1 VAL 18 HG12 VAL 18 7.304 2.928 -5.632 108 3HG1 VAL 18 HG13 VAL 18 5.637 3.227 -6.118 109 1HG2 VAL 18 HG21 VAL 18 6.180 5.223 -2.995 110 2HG2 VAL 18 HG22 VAL 18 5.555 5.349 -4.644 111 3HG2 VAL 18 HG23 VAL 18 7.268 5.007 -4.360 112 H ARG 19 HN ARG 19 3.992 5.365 -2.622 113 HA ARG 19 HA ARG 19 4.828 5.123 0.007 114 1HB ARG 19 HB2 ARG 19 4.274 7.243 -1.200 115 2HB ARG 19 HB1 ARG 19 2.563 6.887 -0.967 116 1HG ARG 19 HG2 ARG 19 4.408 7.060 1.395 117 2HG ARG 19 HG1 ARG 19 3.769 8.522 0.638 118 1HD ARG 19 HD2 ARG 19 2.123 6.233 1.731 119 2HD ARG 19 HD1 ARG 19 2.398 7.777 2.549 120 HE ARG 19 HE ARG 19 1.317 8.698 0.372 121 1HH1 ARG 19 HH11 ARG 19 0.377 5.780 2.082 122 2HH1 ARG 19 HH12 ARG 19 -1.273 5.870 1.544 123 1HH2 ARG 19 HH21 ARG 19 -0.832 8.830 -0.272 124 2HH2 ARG 19 HH22 ARG 19 -1.967 7.601 0.181 125 H ASP 20 HN ASP 20 1.674 4.303 -1.368 126 HA ASP 20 HA ASP 20 0.336 3.936 1.116 127 1HB ASP 20 HB2 ASP 20 -0.890 4.188 -1.010 128 2HB ASP 20 HB1 ASP 20 -0.260 2.636 -1.553 129 H THR 21 HN THR 21 2.172 1.714 -0.939 130 HA THR 21 HA THR 21 1.538 -0.486 0.815 131 HB THR 21 HB THR 21 3.297 -0.437 -1.633 132 HG1 THR 21 HG1 THR 21 0.525 -0.961 -1.216 133 1HG2 THR 21 HG21 THR 21 2.905 -2.877 -1.663 134 2HG2 THR 21 HG22 THR 21 2.025 -2.733 -0.153 135 3HG2 THR 21 HG23 THR 21 3.738 -2.369 -0.192 136 H LEU 22 HN LEU 22 4.206 1.661 0.182 137 HA LEU 22 HA LEU 22 6.159 0.070 1.568 138 1HB LEU 22 HB2 LEU 22 6.100 2.798 0.367 139 2HB LEU 22 HB1 LEU 22 7.307 2.485 1.598 140 HG LEU 22 HG LEU 22 8.187 2.171 -0.678 141 1HD1 LEU 22 HD11 LEU 22 8.040 -0.384 0.901 142 2HD1 LEU 22 HD12 LEU 22 9.141 0.955 1.218 143 3HD1 LEU 22 HD13 LEU 22 9.265 0.047 -0.279 144 1HD2 LEU 22 HD21 LEU 22 6.106 1.357 -1.727 145 2HD2 LEU 22 HD22 LEU 22 6.278 -0.145 -0.822 146 3HD2 LEU 22 HD23 LEU 22 7.481 0.289 -2.028 147 H GLN 23 HN GLN 23 5.230 -0.386 3.557 148 HA GLN 23 HA GLN 23 5.106 1.839 5.459 149 1HB GLN 23 HB2 GLN 23 3.772 -0.754 5.251 150 2HB GLN 23 HB1 GLN 23 4.437 -0.438 6.850 151 1HG GLN 23 HG2 GLN 23 2.284 0.300 7.007 152 2HG GLN 23 HG1 GLN 23 3.197 1.794 6.718 153 1HE2 GLN 23 HE21 GLN 23 3.523 1.126 3.842 154 2HE2 GLN 23 HE22 GLN 23 1.965 1.410 3.102 155 HA PRO 24 HA PRO 24 8.985 0.960 7.427 156 1HB PRO 24 HB2 PRO 24 7.387 0.466 9.905 157 2HB PRO 24 HB1 PRO 24 8.816 1.493 9.685 158 1HG PRO 24 HG2 PRO 24 6.356 2.509 9.860 159 2HG PRO 24 HG1 PRO 24 7.589 3.226 8.806 160 1HD PRO 24 HD2 PRO 24 5.166 1.667 8.106 161 2HD PRO 24 HD1 PRO 24 6.073 2.872 7.152 162 H GLY 25 HN GLY 25 9.914 -0.924 6.926 163 1HA GLY 25 HA2 GLY 25 10.375 -3.173 7.852 164 2HA GLY 25 HA1 GLY 25 8.645 -3.412 7.897 165 H MET 26 HN MET 26 8.610 -1.837 5.205 166 HA MET 26 HA MET 26 8.900 -4.140 3.497 167 1HB MET 26 HB2 MET 26 8.388 -1.229 2.887 168 2HB MET 26 HB1 MET 26 8.414 -2.494 1.678 169 1HG MET 26 HG2 MET 26 6.545 -2.431 4.018 170 2HG MET 26 HG1 MET 26 6.155 -1.840 2.398 171 1HE MET 26 HE1 MET 26 4.251 -3.882 3.678 172 2HE MET 26 HE2 MET 26 4.036 -5.045 2.347 173 3HE MET 26 HE3 MET 26 4.134 -3.315 2.014 174 H ARG 27 HN ARG 27 10.696 -4.778 2.500 175 HA ARG 27 HA ARG 27 13.114 -3.294 2.728 176 1HB ARG 27 HB2 ARG 27 12.889 -5.823 2.803 177 2HB ARG 27 HB1 ARG 27 12.644 -5.760 1.053 178 1HG ARG 27 HG2 ARG 27 14.830 -5.027 0.665 179 2HG ARG 27 HG1 ARG 27 15.092 -4.580 2.355 180 1HD ARG 27 HD2 ARG 27 14.769 -7.358 1.279 181 2HD ARG 27 HD1 ARG 27 16.252 -6.645 1.890 182 HE ARG 27 HE ARG 27 13.972 -6.832 3.703 183 1HH1 ARG 27 HH11 ARG 27 17.112 -8.037 2.699 184 2HH1 ARG 27 HH12 ARG 27 17.411 -8.847 4.205 185 1HH2 ARG 27 HH21 ARG 27 14.337 -7.911 5.650 186 2HH2 ARG 27 HH22 ARG 27 15.838 -8.777 5.905 187 H VAL 28 HN VAL 28 14.390 -2.476 0.997 188 HA VAL 28 HA VAL 28 12.903 -1.992 -1.490 189 HB VAL 28 HB VAL 28 13.606 0.348 -1.534 190 1HG1 VAL 28 HG11 VAL 28 11.420 -0.170 -0.617 191 2HG1 VAL 28 HG12 VAL 28 12.126 1.234 0.175 192 3HG1 VAL 28 HG13 VAL 28 12.112 -0.324 1.000 193 1HG2 VAL 28 HG21 VAL 28 14.662 1.425 0.323 194 2HG2 VAL 28 HG22 VAL 28 15.624 0.013 -0.117 195 3HG2 VAL 28 HG23 VAL 28 14.567 -0.044 1.294 196 H ARG 29 HN ARG 29 14.180 -1.494 -3.292 197 HA ARG 29 HA ARG 29 17.089 -1.856 -2.914 198 1HB ARG 29 HB2 ARG 29 16.035 -3.789 -4.054 199 2HB ARG 29 HB1 ARG 29 15.414 -2.705 -5.292 200 1HG ARG 29 HG2 ARG 29 17.601 -2.223 -6.079 201 2HG ARG 29 HG1 ARG 29 18.325 -3.103 -4.722 202 1HD ARG 29 HD2 ARG 29 17.424 -5.177 -5.550 203 2HD ARG 29 HD1 ARG 29 16.543 -4.328 -6.820 204 HE ARG 29 HE ARG 29 18.570 -3.962 -7.964 205 1HH1 ARG 29 HH11 ARG 29 19.009 -5.803 -5.021 206 2HH1 ARG 29 HH12 ARG 29 20.570 -6.400 -5.455 207 1HH2 ARG 29 HH21 ARG 29 20.633 -4.745 -8.578 208 2HH2 ARG 29 HH22 ARG 29 21.510 -5.788 -7.486 209 H MET 30 HN MET 30 18.400 -0.402 -3.860 210 HA MET 30 HA MET 30 17.228 2.049 -4.877 211 1HB MET 30 HB2 MET 30 19.265 1.924 -3.398 212 2HB MET 30 HB1 MET 30 20.151 1.264 -4.768 213 1HG MET 30 HG2 MET 30 20.639 3.581 -4.602 214 2HG MET 30 HG1 MET 30 19.626 3.330 -6.033 215 1HE MET 30 HE1 MET 30 20.245 6.098 -4.496 216 2HE MET 30 HE2 MET 30 18.671 6.901 -4.508 217 3HE MET 30 HE3 MET 30 19.251 6.058 -5.958 218 H LEU 31 HN LEU 31 16.543 2.201 -6.820 219 HA LEU 31 HA LEU 31 17.410 0.289 -8.833 220 1HB LEU 31 HB2 LEU 31 15.027 0.640 -8.403 221 2HB LEU 31 HB1 LEU 31 15.195 2.350 -8.779 222 HG LEU 31 HG LEU 31 15.939 1.643 -11.047 223 1HD1 LEU 31 HD11 LEU 31 16.528 -0.664 -10.513 224 2HD1 LEU 31 HD12 LEU 31 15.315 -0.624 -11.792 225 3HD1 LEU 31 HD13 LEU 31 14.836 -1.026 -10.135 226 1HD2 LEU 31 HD21 LEU 31 13.649 1.203 -11.855 227 2HD2 LEU 31 HD22 LEU 31 13.727 2.525 -10.696 228 3HD2 LEU 31 HD23 LEU 31 13.134 0.935 -10.189 229 H ASP 32 HN ASP 32 17.765 3.660 -8.058 230 HA ASP 32 HA ASP 32 19.179 4.091 -10.614 231 1HB ASP 32 HB2 ASP 32 17.048 5.438 -10.298 232 2HB ASP 32 HB1 ASP 32 17.851 6.231 -8.945 233 H ASP 33 HN ASP 33 21.098 5.463 -10.463 234 HA ASP 33 HA ASP 33 22.417 5.115 -7.876 235 1HB ASP 33 HB2 ASP 33 23.648 4.256 -9.766 236 2HB ASP 33 HB1 ASP 33 23.492 5.796 -10.609 237 H TYR 34 HN TYR 34 22.918 6.864 -6.563 238 HA TYR 34 HA TYR 34 22.777 9.525 -7.629 239 1HB TYR 34 HB2 TYR 34 20.403 8.988 -7.518 240 2HB TYR 34 HB1 TYR 34 20.571 8.507 -5.814 241 HD1 TYR 34 HD1 TYR 34 21.463 11.492 -7.880 242 HD2 TYR 34 HD2 TYR 34 19.702 9.972 -4.310 243 HE1 TYR 34 HE1 TYR 34 20.983 13.792 -7.149 244 HE2 TYR 34 HE2 TYR 34 19.211 12.273 -3.585 245 HH TYR 34 HH TYR 34 20.155 14.560 -3.994 246 H GLU 35 HN GLU 35 24.350 10.485 -6.642 247 HA GLU 35 HA GLU 35 25.682 11.438 -5.059 248 1HB GLU 35 HB2 GLU 35 23.364 10.738 -3.258 249 2HB GLU 35 HB1 GLU 35 24.716 11.750 -2.773 250 1HG GLU 35 HG2 GLU 35 22.792 12.351 -5.005 251 2HG GLU 35 HG1 GLU 35 22.751 13.059 -3.412 252 H GLU 36 HN GLU 36 25.019 10.097 -2.171 253 HA GLU 36 HA GLU 36 27.420 8.592 -2.114 254 1HB GLU 36 HB2 GLU 36 25.205 8.860 -0.076 255 2HB GLU 36 HB1 GLU 36 26.747 8.045 0.234 256 1HG GLU 36 HG2 GLU 36 27.927 10.120 -0.116 257 2HG GLU 36 HG1 GLU 36 26.430 10.937 -0.517 258 H ILE 37 HN ILE 37 24.162 7.841 -2.788 259 HA ILE 37 HA ILE 37 24.455 5.005 -2.117 260 HB ILE 37 HB ILE 37 22.004 6.332 -3.269 261 1HG1 ILE 37 HG12 ILE 37 22.554 7.492 -1.198 262 2HG1 ILE 37 HG11 ILE 37 21.157 6.445 -0.935 263 1HG2 ILE 37 HG21 ILE 37 22.351 3.790 -1.694 264 2HG2 ILE 37 HG22 ILE 37 22.079 3.907 -3.434 265 3HG2 ILE 37 HG23 ILE 37 20.827 4.439 -2.314 266 1HD1 ILE 37 HD11 ILE 37 22.692 6.330 0.945 267 2HD1 ILE 37 HD12 ILE 37 24.003 5.854 -0.128 268 3HD1 ILE 37 HD13 ILE 37 22.642 4.765 0.116 269 H SER 38 HN SER 38 24.240 3.367 -3.673 270 HA SER 38 HA SER 38 24.758 4.285 -6.430 271 1HB SER 38 HB2 SER 38 25.985 1.870 -5.048 272 2HB SER 38 HB1 SER 38 26.311 2.410 -6.698 273 HG SER 38 HG SER 38 26.887 4.496 -5.510 274 H ALA 39 HN ALA 39 23.943 2.960 -8.102 275 HA ALA 39 HA ALA 39 21.448 1.793 -7.641 276 1HB ALA 39 HB1 ALA 39 21.555 1.043 -9.958 277 2HB ALA 39 HB2 ALA 39 23.277 1.391 -9.999 278 3HB ALA 39 HB3 ALA 39 22.120 2.706 -9.816 279 H GLY 40 HN GLY 40 20.819 -0.175 -7.079 280 1HA GLY 40 HA2 GLY 40 21.075 -2.588 -7.115 281 2HA GLY 40 HA1 GLY 40 22.828 -2.362 -7.154 282 H ASP 41 HN ASP 41 22.216 -0.137 -4.983 283 HA ASP 41 HA ASP 41 22.800 -1.702 -2.728 284 1HB ASP 41 HB2 ASP 41 23.102 0.834 -3.054 285 2HB ASP 41 HB1 ASP 41 21.437 0.995 -2.588 286 H GLU 42 HN GLU 42 21.519 -2.471 -1.045 287 HA GLU 42 HA GLU 42 18.622 -2.327 -1.525 288 1HB GLU 42 HB2 GLU 42 20.162 -4.727 -0.484 289 2HB GLU 42 HB1 GLU 42 18.413 -4.619 -0.654 290 1HG GLU 42 HG2 GLU 42 18.684 -4.301 -3.084 291 2HG GLU 42 HG1 GLU 42 20.426 -4.540 -2.888 292 H GLY 43 HN GLY 43 17.333 -2.278 0.373 293 1HA GLY 43 HA2 GLY 43 18.571 -2.017 2.944 294 2HA GLY 43 HA1 GLY 43 18.122 -0.460 2.237 295 H GLU 44 HN GLU 44 16.804 -0.524 4.265 296 HA GLU 44 HA GLU 44 14.226 -1.866 3.726 297 1HB GLU 44 HB2 GLU 44 15.465 -2.895 5.647 298 2HB GLU 44 HB1 GLU 44 15.407 -1.340 6.472 299 1HG GLU 44 HG2 GLU 44 12.973 -1.441 6.468 300 2HG GLU 44 HG1 GLU 44 13.050 -3.016 5.651 301 H PHE 45 HN PHE 45 12.340 -0.734 4.324 302 HA PHE 45 HA PHE 45 12.619 2.167 4.244 303 1HB PHE 45 HB2 PHE 45 11.030 1.053 2.738 304 2HB PHE 45 HB1 PHE 45 10.191 0.339 4.103 305 HD1 PHE 45 HD1 PHE 45 10.373 3.114 1.907 306 HD2 PHE 45 HD2 PHE 45 9.055 1.891 5.750 307 HE1 PHE 45 HE1 PHE 45 8.845 5.022 1.973 308 HE2 PHE 45 HE2 PHE 45 7.514 3.797 5.856 309 HZ PHE 45 HZ PHE 45 7.412 5.376 3.957 310 H ARG 46 HN ARG 46 12.819 3.198 6.116 311 HA ARG 46 HA ARG 46 11.852 1.976 8.579 312 1HB ARG 46 HB2 ARG 46 13.431 4.516 8.192 313 2HB ARG 46 HB1 ARG 46 13.116 3.711 9.709 314 1HG ARG 46 HG2 ARG 46 14.755 2.606 7.451 315 2HG ARG 46 HG1 ARG 46 15.373 3.254 8.967 316 1HD ARG 46 HD2 ARG 46 13.569 0.855 8.702 317 2HD ARG 46 HD1 ARG 46 15.304 0.812 8.983 318 HE ARG 46 HE ARG 46 14.378 2.337 11.025 319 1HH1 ARG 46 HH11 ARG 46 13.600 -0.886 9.858 320 2HH1 ARG 46 HH12 ARG 46 13.081 -1.447 11.421 321 1HH2 ARG 46 HH21 ARG 46 13.718 1.551 13.086 322 2HH2 ARG 46 HH22 ARG 46 13.175 -0.091 13.230 323 H GLN 47 HN GLN 47 11.537 5.054 6.817 324 HA GLN 47 HA GLN 47 8.805 5.371 7.580 325 1HB GLN 47 HB2 GLN 47 9.092 7.425 8.923 326 2HB GLN 47 HB1 GLN 47 9.758 6.007 9.731 327 1HG GLN 47 HG2 GLN 47 11.994 6.645 9.118 328 2HG GLN 47 HG1 GLN 47 11.379 8.006 8.177 329 1HE2 GLN 47 HE21 GLN 47 9.320 8.769 10.077 330 2HE2 GLN 47 HE22 GLN 47 10.124 9.455 11.439 331 H SER 48 HN SER 48 7.944 7.502 6.759 332 HA SER 48 HA SER 48 9.745 8.785 4.818 333 1HB SER 48 HB2 SER 48 7.842 8.759 3.159 334 2HB SER 48 HB1 SER 48 8.561 7.187 3.507 335 HG SER 48 HG SER 48 6.606 7.576 5.266 336 H ASN 49 HN ASN 49 8.805 10.830 3.965 337 HA ASN 49 HA ASN 49 7.127 12.154 5.962 338 1HB ASN 49 HB2 ASN 49 8.651 13.277 3.589 339 2HB ASN 49 HB1 ASN 49 7.656 14.244 4.673 340 1HD2 ASN 49 HD21 ASN 49 8.454 12.712 7.021 341 2HD2 ASN 49 HD22 ASN 49 10.083 13.187 7.388 342 H ASN 50 HN ASN 50 5.022 11.892 5.660 343 HA ASN 50 HA ASN 50 4.069 10.698 3.239 344 1HB ASN 50 HB2 ASN 50 3.288 10.004 5.444 345 2HB ASN 50 HB1 ASN 50 2.564 11.599 5.707 346 1HD2 ASN 50 HD21 ASN 50 0.502 10.810 5.924 347 2HD2 ASN 50 HD22 ASN 50 -0.400 10.179 4.581 348 H GLY 51 HN GLY 51 4.845 12.930 2.131 349 1HA GLY 51 HA2 GLY 51 2.540 13.694 0.763 350 2HA GLY 51 HA1 GLY 51 2.880 14.950 1.962 351 H VAL 52 HN VAL 52 5.836 14.099 1.617 352 HA VAL 52 HA VAL 52 6.318 15.547 -0.907 353 HB VAL 52 HB VAL 52 8.482 16.348 0.229 354 1HG1 VAL 52 HG11 VAL 52 6.570 17.815 -0.257 355 2HG1 VAL 52 HG12 VAL 52 7.381 18.260 1.253 356 3HG1 VAL 52 HG13 VAL 52 5.848 17.375 1.294 357 1HG2 VAL 52 HG21 VAL 52 8.428 16.490 2.666 358 2HG2 VAL 52 HG22 VAL 52 8.413 14.810 2.135 359 3HG2 VAL 52 HG23 VAL 52 6.919 15.577 2.706 360 HA PRO 53 HA PRO 53 8.890 12.363 -2.468 361 1HB PRO 53 HB2 PRO 53 11.295 13.769 -2.893 362 2HB PRO 53 HB1 PRO 53 9.962 13.536 -4.039 363 1HG PRO 53 HG2 PRO 53 10.612 15.868 -2.311 364 2HG PRO 53 HG1 PRO 53 9.823 15.821 -3.900 365 1HD PRO 53 HD2 PRO 53 8.462 16.269 -1.597 366 2HD PRO 53 HD1 PRO 53 7.729 15.419 -2.980 367 HA PRO 54 HA PRO 54 12.871 12.393 0.479 368 1HB PRO 54 HB2 PRO 54 12.169 13.463 2.951 369 2HB PRO 54 HB1 PRO 54 13.259 14.215 1.773 370 1HG PRO 54 HG2 PRO 54 10.366 14.733 2.311 371 2HG PRO 54 HG1 PRO 54 11.641 15.863 1.814 372 1HD PRO 54 HD2 PRO 54 9.796 14.994 0.086 373 2HD PRO 54 HD1 PRO 54 11.477 15.273 -0.402 374 H VAL 55 HN VAL 55 12.967 10.391 1.087 375 HA VAL 55 HA VAL 55 11.049 9.376 3.077 376 HB VAL 55 HB VAL 55 10.403 8.398 0.945 377 1HG1 VAL 55 HG11 VAL 55 11.950 7.059 -0.398 378 2HG1 VAL 55 HG12 VAL 55 13.271 7.535 0.676 379 3HG1 VAL 55 HG13 VAL 55 12.441 8.748 -0.307 380 1HG2 VAL 55 HG21 VAL 55 10.772 5.984 1.418 381 2HG2 VAL 55 HG22 VAL 55 10.257 6.900 2.833 382 3HG2 VAL 55 HG23 VAL 55 11.953 6.448 2.644 383 H GLN 56 HN GLN 56 11.927 8.117 4.686 384 HA GLN 56 HA GLN 56 14.831 8.295 4.908 385 1HB GLN 56 HB2 GLN 56 13.513 9.195 6.751 386 2HB GLN 56 HB1 GLN 56 12.716 7.652 6.965 387 1HG GLN 56 HG2 GLN 56 14.264 7.738 8.680 388 2HG GLN 56 HG1 GLN 56 15.018 6.712 7.478 389 1HE2 GLN 56 HE21 GLN 56 15.803 8.916 5.734 390 2HE2 GLN 56 HE22 GLN 56 17.118 9.724 6.526 391 H VAL 57 HN VAL 57 15.904 6.584 4.102 392 HA VAL 57 HA VAL 57 14.815 3.903 4.646 393 HB VAL 57 HB VAL 57 16.200 4.870 2.132 394 1HG1 VAL 57 HG11 VAL 57 15.917 2.612 1.279 395 2HG1 VAL 57 HG12 VAL 57 15.245 2.096 2.828 396 3HG1 VAL 57 HG13 VAL 57 16.920 2.631 2.721 397 1HG2 VAL 57 HG21 VAL 57 14.091 4.272 1.007 398 2HG2 VAL 57 HG22 VAL 57 13.889 5.529 2.233 399 3HG2 VAL 57 HG23 VAL 57 13.395 3.874 2.578 400 H PHE 58 HN PHE 58 16.262 2.416 5.357 401 HA PHE 58 HA PHE 58 18.984 3.348 5.864 402 1HB PHE 58 HB2 PHE 58 17.808 2.475 7.811 403 2HB PHE 58 HB1 PHE 58 17.467 0.975 6.963 404 HD1 PHE 58 HD1 PHE 58 20.273 3.074 8.225 405 HD2 PHE 58 HD2 PHE 58 18.943 -0.811 7.086 406 HE1 PHE 58 HE1 PHE 58 22.378 2.102 9.071 407 HE2 PHE 58 HE2 PHE 58 21.036 -1.781 7.944 408 HZ PHE 58 HZ PHE 58 22.766 -0.331 8.927 409 H TRP 59 HN TRP 59 20.543 2.741 4.516 410 HA TRP 59 HA TRP 59 19.969 0.572 2.637 411 1HB TRP 59 HB2 TRP 59 22.127 2.699 2.589 412 2HB TRP 59 HB1 TRP 59 21.926 1.431 1.362 413 HD1 TRP 59 HD1 TRP 59 20.825 4.875 2.169 414 HE1 TRP 59 HE1 TRP 59 18.917 5.602 0.597 415 HE3 TRP 59 HE3 TRP 59 19.676 0.333 0.131 416 HZ2 TRP 59 HZ2 TRP 59 17.147 4.411 -1.239 417 HZ3 TRP 59 HZ3 TRP 59 17.858 0.213 -1.512 418 HH2 TRP 59 HH2 TRP 59 16.613 2.212 -2.184 419 H GLU 60 HN GLU 60 20.800 -1.308 2.809 420 HA GLU 60 HA GLU 60 22.210 -2.005 5.128 421 1HB GLU 60 HB2 GLU 60 20.488 -3.363 4.071 422 2HB GLU 60 HB1 GLU 60 21.545 -3.646 2.697 423 1HG GLU 60 HG2 GLU 60 21.571 -5.558 4.124 424 2HG GLU 60 HG1 GLU 60 23.132 -4.751 4.244 425 H SER 61 HN SER 61 23.167 -2.033 1.698 426 HA SER 61 HA SER 61 25.607 -3.345 2.233 427 1HB SER 61 HB2 SER 61 26.201 -2.969 -0.053 428 2HB SER 61 HB1 SER 61 24.476 -3.292 -0.002 429 HG SER 61 HG SER 61 24.082 -1.073 -0.212 430 H THR 62 HN THR 62 24.745 0.053 2.049 431 HA THR 62 HA THR 62 27.482 0.918 2.400 432 HB THR 62 HB THR 62 26.269 3.161 2.798 433 HG1 THR 62 HG1 THR 62 24.118 2.231 1.336 434 1HG2 THR 62 HG21 THR 62 25.975 3.535 0.408 435 2HG2 THR 62 HG22 THR 62 26.016 1.794 0.136 436 3HG2 THR 62 HG23 THR 62 27.450 2.619 0.734 437 H GLY 63 HN GLY 63 24.497 0.938 4.250 438 1HA GLY 63 HA2 GLY 63 24.332 0.386 6.553 439 2HA GLY 63 HA1 GLY 63 26.055 0.742 6.742 440 H ARG 64 HN ARG 64 24.059 2.893 4.906 441 HA ARG 64 HA ARG 64 24.146 4.828 7.112 442 1HB ARG 64 HB2 ARG 64 24.211 5.513 4.165 443 2HB ARG 64 HB1 ARG 64 24.582 6.574 5.528 444 1HG ARG 64 HG2 ARG 64 26.240 4.141 4.905 445 2HG ARG 64 HG1 ARG 64 26.531 5.706 4.133 446 1HD ARG 64 HD2 ARG 64 26.360 5.439 7.113 447 2HD ARG 64 HD1 ARG 64 27.868 5.137 6.245 448 HE ARG 64 HE ARG 64 27.354 7.490 5.285 449 1HH1 ARG 64 HH11 ARG 64 26.882 6.444 8.588 450 2HH1 ARG 64 HH12 ARG 64 27.169 8.010 9.275 451 1HH2 ARG 64 HH21 ARG 64 27.752 9.557 6.181 452 2HH2 ARG 64 HH22 ARG 64 27.702 9.784 7.906 453 H THR 65 HN THR 65 22.178 5.847 7.592 454 HA THR 65 HA THR 65 19.882 5.164 6.002 455 HB THR 65 HB THR 65 19.880 7.248 8.166 456 HG1 THR 65 HG1 THR 65 19.442 5.281 9.558 457 1HG2 THR 65 HG21 THR 65 17.810 6.833 6.923 458 2HG2 THR 65 HG22 THR 65 17.665 6.331 8.616 459 3HG2 THR 65 HG23 THR 65 17.907 5.117 7.354 460 H TYR 66 HN TYR 66 18.762 6.551 4.645 461 HA TYR 66 HA TYR 66 19.950 9.171 4.089 462 1HB TYR 66 HB2 TYR 66 21.243 7.524 2.740 463 2HB TYR 66 HB1 TYR 66 19.726 6.947 2.024 464 HD1 TYR 66 HD1 TYR 66 21.709 10.100 2.402 465 HD2 TYR 66 HD2 TYR 66 19.066 7.800 0.011 466 HE1 TYR 66 HE1 TYR 66 21.953 11.732 0.597 467 HE2 TYR 66 HE2 TYR 66 19.297 9.428 -1.835 468 HH TYR 66 HH TYR 66 19.869 11.817 -2.098 469 H TRP 67 HN TRP 67 18.531 10.613 3.100 470 HA TRP 67 HA TRP 67 15.767 9.712 2.843 471 1HB TRP 67 HB2 TRP 67 17.021 12.448 2.631 472 2HB TRP 67 HB1 TRP 67 15.317 12.126 2.273 473 HD1 TRP 67 HD1 TRP 67 13.896 11.033 4.426 474 HE1 TRP 67 HE1 TRP 67 14.060 11.653 6.928 475 HE3 TRP 67 HE3 TRP 67 18.486 13.276 4.405 476 HZ2 TRP 67 HZ2 TRP 67 15.895 12.956 8.636 477 HZ3 TRP 67 HZ3 TRP 67 19.361 14.199 6.519 478 HH2 TRP 67 HH2 TRP 67 18.105 14.039 8.582 479 H VAL 68 HN VAL 68 15.127 8.836 0.974 480 HA VAL 68 HA VAL 68 16.731 9.337 -1.413 481 HB VAL 68 HB VAL 68 14.739 7.108 -1.219 482 1HG1 VAL 68 HG11 VAL 68 17.527 7.269 -2.369 483 2HG1 VAL 68 HG12 VAL 68 16.025 7.475 -3.267 484 3HG1 VAL 68 HG13 VAL 68 16.410 5.914 -2.539 485 1HG2 VAL 68 HG21 VAL 68 17.436 6.996 0.129 486 2HG2 VAL 68 HG22 VAL 68 16.307 5.660 -0.033 487 3HG2 VAL 68 HG23 VAL 68 15.887 7.044 0.954 488 H HIS 69 HN HIS 69 14.379 8.032 -2.912 489 HA HIS 69 HA HIS 69 12.636 10.270 -3.057 490 1HB HIS 69 HB2 HIS 69 14.648 9.737 -5.232 491 2HB HIS 69 HB1 HIS 69 13.071 10.398 -5.649 492 HD1 HIS 69 HD1 HIS 69 12.685 12.862 -5.210 493 HD2 HIS 69 HD2 HIS 69 16.291 11.485 -3.671 494 HE1 HIS 69 HE1 HIS 69 13.952 14.916 -4.533 495 HE2 HIS 69 HE2 HIS 69 16.186 14.079 -3.737 496 H TRP 70 HN TRP 70 10.649 9.513 -3.671 497 HA TRP 70 HA TRP 70 10.106 6.860 -3.654 498 1HB TRP 70 HB2 TRP 70 8.507 8.999 -5.042 499 2HB TRP 70 HB1 TRP 70 7.902 7.409 -4.593 500 HD1 TRP 70 HD1 TRP 70 8.164 10.861 -3.241 501 HE1 TRP 70 HE1 TRP 70 7.527 10.851 -0.725 502 HE3 TRP 70 HE3 TRP 70 8.209 5.818 -2.347 503 HZ2 TRP 70 HZ2 TRP 70 7.083 8.999 1.320 504 HZ3 TRP 70 HZ3 TRP 70 7.659 5.002 -0.090 505 HH2 TRP 70 HH2 TRP 70 7.115 6.565 1.696 506 H HIS 71 HN HIS 71 10.614 8.808 -6.567 507 HA HIS 71 HA HIS 71 9.762 6.753 -8.333 508 1HB HIS 71 HB2 HIS 71 10.394 8.158 -10.139 509 2HB HIS 71 HB1 HIS 71 9.818 9.233 -8.849 510 HD1 HIS 71 HD1 HIS 71 12.599 8.726 -11.121 511 HD2 HIS 71 HD2 HIS 71 12.050 10.473 -7.387 512 HE1 HIS 71 HE1 HIS 71 14.608 10.190 -10.777 513 HE2 HIS 71 HE2 HIS 71 14.129 11.445 -8.604 514 H MET 72 HN MET 72 12.687 6.970 -6.606 515 HA MET 72 HA MET 72 14.019 5.323 -8.671 516 1HB MET 72 HB2 MET 72 16.163 5.979 -7.625 517 2HB MET 72 HB1 MET 72 15.245 7.365 -8.201 518 1HG MET 72 HG2 MET 72 14.498 7.818 -5.922 519 2HG MET 72 HG1 MET 72 15.416 6.430 -5.348 520 1HE MET 72 HE1 MET 72 17.467 10.085 -7.298 521 2HE MET 72 HE2 MET 72 15.714 9.973 -7.123 522 3HE MET 72 HE3 MET 72 16.568 8.859 -8.201 523 H LEU 73 HN LEU 73 12.156 4.719 -6.282 524 HA LEU 73 HA LEU 73 13.877 2.841 -4.843 525 1HB LEU 73 HB2 LEU 73 11.097 3.841 -4.249 526 2HB LEU 73 HB1 LEU 73 11.864 2.573 -3.333 527 HG LEU 73 HG LEU 73 12.810 5.425 -3.572 528 1HD1 LEU 73 HD11 LEU 73 10.814 5.133 -2.177 529 2HD1 LEU 73 HD12 LEU 73 12.213 5.594 -1.224 530 3HD1 LEU 73 HD13 LEU 73 11.664 3.922 -1.226 531 1HD2 LEU 73 HD21 LEU 73 14.504 4.803 -1.914 532 2HD2 LEU 73 HD22 LEU 73 14.701 3.859 -3.395 533 3HD2 LEU 73 HD23 LEU 73 13.948 3.135 -1.972 534 H GLU 74 HN GLU 74 13.827 0.744 -5.240 535 HA GLU 74 HA GLU 74 11.658 -0.391 -6.855 536 1HB GLU 74 HB2 GLU 74 13.874 -0.776 -7.698 537 2HB GLU 74 HB1 GLU 74 14.395 -1.431 -6.149 538 1HG GLU 74 HG2 GLU 74 13.980 -3.119 -7.862 539 2HG GLU 74 HG1 GLU 74 12.983 -3.353 -6.417 540 H ILE 75 HN ILE 75 10.164 -1.672 -5.857 541 HA ILE 75 HA ILE 75 10.406 -1.902 -2.969 542 HB ILE 75 HB ILE 75 8.289 -1.155 -3.901 543 1HG1 ILE 75 HG12 ILE 75 8.083 -3.855 -2.554 544 2HG1 ILE 75 HG11 ILE 75 8.252 -2.289 -1.739 545 1HG2 ILE 75 HG21 ILE 75 7.992 -3.899 -5.095 546 2HG2 ILE 75 HG22 ILE 75 8.374 -2.445 -6.009 547 3HG2 ILE 75 HG23 ILE 75 6.826 -2.584 -5.175 548 1HD1 ILE 75 HD11 ILE 75 6.055 -1.609 -2.642 549 2HD1 ILE 75 HD12 ILE 75 5.957 -3.056 -1.640 550 3HD1 ILE 75 HD13 ILE 75 5.890 -3.210 -3.391 551 H LEU 76 HN LEU 76 11.011 -3.613 -1.890 552 HA LEU 76 HA LEU 76 10.822 -6.284 -3.120 553 1HB LEU 76 HB2 LEU 76 12.977 -5.305 -1.235 554 2HB LEU 76 HB1 LEU 76 12.856 -6.922 -1.888 555 HG LEU 76 HG LEU 76 13.371 -4.423 -3.509 556 1HD1 LEU 76 HD11 LEU 76 15.218 -6.665 -2.678 557 2HD1 LEU 76 HD12 LEU 76 15.254 -5.011 -2.075 558 3HD1 LEU 76 HD13 LEU 76 15.617 -5.328 -3.766 559 1HD2 LEU 76 HD21 LEU 76 13.852 -5.981 -5.346 560 2HD2 LEU 76 HD22 LEU 76 12.190 -6.131 -4.793 561 3HD2 LEU 76 HD23 LEU 76 13.375 -7.330 -4.315 562 H GLY 77 HN GLY 77 8.928 -4.900 -1.510 563 1HA GLY 77 HA2 GLY 77 9.265 -5.510 1.269 564 2HA GLY 77 HA1 GLY 77 7.819 -4.848 0.511 565 H PHE 78 HN PHE 78 7.042 -6.409 2.265 566 HA PHE 78 HA PHE 78 5.896 -8.280 2.832 567 1HB PHE 78 HB2 PHE 78 6.098 -8.866 -0.137 568 2HB PHE 78 HB1 PHE 78 5.112 -9.790 0.996 569 HD1 PHE 78 HD1 PHE 78 5.334 -6.850 -1.047 570 HD2 PHE 78 HD2 PHE 78 3.200 -8.636 2.175 571 HE1 PHE 78 HE1 PHE 78 3.472 -5.275 -1.417 572 HE2 PHE 78 HE2 PHE 78 1.329 -7.070 1.788 573 HZ PHE 78 HZ PHE 78 1.487 -5.381 0.003 574 H GLU 79 HN GLU 79 8.781 -8.170 2.923 575 HA GLU 79 HA GLU 79 9.965 -10.587 2.082 576 1HB GLU 79 HB2 GLU 79 11.781 -9.972 3.660 577 2HB GLU 79 HB1 GLU 79 11.327 -8.666 2.562 578 1HG GLU 79 HG2 GLU 79 10.064 -7.590 4.317 579 2HG GLU 79 HG1 GLU 79 10.384 -8.938 5.409 580 H GLU 80 HN GLU 80 8.029 -9.720 4.816 581 HA GLU 80 HA GLU 80 8.773 -12.005 6.431 582 1HB GLU 80 HB2 GLU 80 7.674 -9.567 6.991 583 2HB GLU 80 HB1 GLU 80 6.256 -10.593 7.014 584 1HG GLU 80 HG2 GLU 80 7.084 -10.444 9.242 585 2HG GLU 80 HG1 GLU 80 7.429 -12.071 8.655 Start of MODEL 2 1 H MET 4 HN MET 4 10.563 1.528 -18.400 2 HA MET 4 HA MET 4 10.069 0.372 -15.759 3 1HB MET 4 HB2 MET 4 12.150 1.522 -15.087 4 2HB MET 4 HB1 MET 4 12.394 0.477 -16.488 5 1HG MET 4 HG2 MET 4 12.366 2.383 -17.972 6 2HG MET 4 HG1 MET 4 12.008 3.453 -16.619 7 1HE MET 4 HE1 MET 4 13.797 2.259 -14.315 8 2HE MET 4 HE2 MET 4 13.751 4.004 -14.639 9 3HE MET 4 HE3 MET 4 15.302 3.156 -14.470 10 H ARG 5 HN ARG 5 10.870 2.350 -14.139 11 HA ARG 5 HA ARG 5 8.636 3.655 -13.338 12 1HB ARG 5 HB2 ARG 5 10.723 3.475 -12.054 13 2HB ARG 5 HB1 ARG 5 11.511 4.586 -13.161 14 1HG ARG 5 HG2 ARG 5 9.745 6.284 -12.435 15 2HG ARG 5 HG1 ARG 5 9.427 5.171 -11.098 16 1HD ARG 5 HD2 ARG 5 11.019 6.802 -10.361 17 2HD ARG 5 HD1 ARG 5 11.858 5.261 -10.551 18 HE ARG 5 HE ARG 5 11.961 7.221 -12.732 19 1HH1 ARG 5 HH11 ARG 5 13.595 5.503 -10.145 20 2HH1 ARG 5 HH12 ARG 5 15.191 5.959 -10.671 21 1HH2 ARG 5 HH21 ARG 5 14.033 7.809 -13.435 22 2HH2 ARG 5 HH22 ARG 5 15.427 7.239 -12.572 23 H SER 6 HN SER 6 10.816 4.733 -15.879 24 HA SER 6 HA SER 6 10.005 7.476 -15.786 25 1HB SER 6 HB2 SER 6 11.449 6.297 -18.130 26 2HB SER 6 HB1 SER 6 11.668 7.853 -17.326 27 HG SER 6 HG SER 6 13.053 6.977 -15.979 28 H GLU 7 HN GLU 7 8.288 4.889 -16.905 29 HA GLU 7 HA GLU 7 7.396 5.708 -19.430 30 1HB GLU 7 HB2 GLU 7 5.962 4.150 -17.273 31 2HB GLU 7 HB1 GLU 7 5.329 4.366 -18.898 32 1HG GLU 7 HG2 GLU 7 7.883 2.998 -18.151 33 2HG GLU 7 HG1 GLU 7 6.402 2.215 -18.701 34 H PHE 8 HN PHE 8 6.639 6.865 -16.270 35 HA PHE 8 HA PHE 8 4.258 8.280 -17.116 36 1HB PHE 8 HB2 PHE 8 5.814 8.493 -14.527 37 2HB PHE 8 HB1 PHE 8 4.213 9.159 -14.819 38 HD1 PHE 8 HD1 PHE 8 5.978 6.435 -13.467 39 HD2 PHE 8 HD2 PHE 8 2.412 7.406 -15.579 40 HE1 PHE 8 HE1 PHE 8 4.951 4.350 -12.692 41 HE2 PHE 8 HE2 PHE 8 1.369 5.316 -14.812 42 HZ PHE 8 HZ PHE 8 2.649 3.793 -13.352 43 H ALA 9 HN ALA 9 4.251 10.702 -16.232 44 HA ALA 9 HA ALA 9 5.760 12.166 -18.098 45 1HB ALA 9 HB1 ALA 9 4.973 14.163 -16.875 46 2HB ALA 9 HB2 ALA 9 4.490 13.139 -15.528 47 3HB ALA 9 HB3 ALA 9 3.675 12.987 -17.074 48 H SER 10 HN SER 10 6.253 11.796 -14.600 49 HA SER 10 HA SER 10 9.112 12.317 -15.072 50 1HB SER 10 HB2 SER 10 7.952 14.270 -13.958 51 2HB SER 10 HB1 SER 10 7.577 13.195 -12.594 52 HG SER 10 HG SER 10 10.093 14.160 -13.504 53 H GLY 11 HN GLY 11 6.892 10.121 -14.337 54 1HA GLY 11 HA2 GLY 11 7.111 7.977 -13.472 55 2HA GLY 11 HA1 GLY 11 8.725 8.404 -12.908 56 H ASN 12 HN ASN 12 6.052 10.469 -12.144 57 HA ASN 12 HA ASN 12 6.673 10.177 -9.371 58 1HB ASN 12 HB2 ASN 12 4.909 12.017 -10.927 59 2HB ASN 12 HB1 ASN 12 4.704 11.885 -9.181 60 1HD2 ASN 12 HD21 ASN 12 5.661 14.123 -10.866 61 2HD2 ASN 12 HD22 ASN 12 7.223 14.538 -10.232 62 H THR 13 HN THR 13 4.075 8.956 -11.424 63 HA THR 13 HA THR 13 2.228 8.373 -9.430 64 HB THR 13 HB THR 13 2.705 6.692 -11.895 65 HG1 THR 13 HG1 THR 13 1.403 9.232 -11.636 66 1HG2 THR 13 HG21 THR 13 0.175 7.418 -10.425 67 2HG2 THR 13 HG22 THR 13 1.022 5.873 -10.286 68 3HG2 THR 13 HG23 THR 13 0.303 6.347 -11.825 69 H TYR 14 HN TYR 14 5.204 6.816 -10.397 70 HA TYR 14 HA TYR 14 4.904 4.351 -9.121 71 1HB TYR 14 HB2 TYR 14 6.815 5.406 -10.631 72 2HB TYR 14 HB1 TYR 14 7.526 5.775 -9.082 73 HD1 TYR 14 HD1 TYR 14 6.324 3.029 -11.241 74 HD2 TYR 14 HD2 TYR 14 8.640 4.054 -7.811 75 HE1 TYR 14 HE1 TYR 14 7.264 0.776 -11.211 76 HE2 TYR 14 HE2 TYR 14 9.580 1.773 -7.781 77 HH TYR 14 HH TYR 14 9.006 -0.486 -8.584 78 H ALA 15 HN ALA 15 5.873 7.529 -7.951 79 HA ALA 15 HA ALA 15 6.610 6.815 -5.351 80 1HB ALA 15 HB1 ALA 15 5.457 9.417 -6.310 81 2HB ALA 15 HB2 ALA 15 7.173 8.982 -6.307 82 3HB ALA 15 HB3 ALA 15 6.299 9.158 -4.784 83 H LEU 16 HN LEU 16 3.481 7.292 -6.806 84 HA LEU 16 HA LEU 16 2.043 7.707 -4.402 85 1HB LEU 16 HB2 LEU 16 1.102 8.469 -6.444 86 2HB LEU 16 HB1 LEU 16 1.278 6.906 -7.192 87 HG LEU 16 HG LEU 16 -0.471 6.015 -5.658 88 1HD1 LEU 16 HD11 LEU 16 -0.183 7.694 -3.883 89 2HD1 LEU 16 HD12 LEU 16 -1.859 7.587 -4.424 90 3HD1 LEU 16 HD13 LEU 16 -0.838 8.922 -4.959 91 1HD2 LEU 16 HD21 LEU 16 -2.339 6.984 -6.850 92 2HD2 LEU 16 HD22 LEU 16 -0.968 6.742 -7.952 93 3HD2 LEU 16 HD23 LEU 16 -1.328 8.350 -7.335 94 H TYR 17 HN TYR 17 2.634 4.963 -6.522 95 HA TYR 17 HA TYR 17 1.198 3.041 -5.086 96 1HB TYR 17 HB2 TYR 17 1.915 2.679 -7.409 97 2HB TYR 17 HB1 TYR 17 3.602 2.736 -6.902 98 HD1 TYR 17 HD1 TYR 17 4.712 0.769 -6.509 99 HD2 TYR 17 HD2 TYR 17 0.462 0.798 -6.252 100 HE1 TYR 17 HE1 TYR 17 4.708 -1.686 -6.202 101 HE2 TYR 17 HE2 TYR 17 0.448 -1.617 -5.916 102 HH TYR 17 HH TYR 17 3.256 -3.417 -5.220 103 H VAL 18 HN VAL 18 4.681 3.782 -5.097 104 HA VAL 18 HA VAL 18 5.306 1.805 -3.207 105 HB VAL 18 HB VAL 18 7.482 2.891 -2.917 106 1HG1 VAL 18 HG11 VAL 18 8.228 2.766 -5.259 107 2HG1 VAL 18 HG12 VAL 18 6.538 2.817 -5.784 108 3HG1 VAL 18 HG13 VAL 18 7.128 1.442 -4.847 109 1HG2 VAL 18 HG21 VAL 18 8.050 4.943 -4.125 110 2HG2 VAL 18 HG22 VAL 18 6.775 5.233 -2.936 111 3HG2 VAL 18 HG23 VAL 18 6.372 5.105 -4.650 112 H ARG 19 HN ARG 19 4.652 5.290 -2.674 113 HA ARG 19 HA ARG 19 5.294 5.321 0.013 114 1HB ARG 19 HB2 ARG 19 4.102 7.374 0.169 115 2HB ARG 19 HB1 ARG 19 4.824 7.328 -1.422 116 1HG ARG 19 HG2 ARG 19 2.743 6.895 -2.440 117 2HG ARG 19 HG1 ARG 19 1.981 6.537 -0.885 118 1HD ARG 19 HD2 ARG 19 2.406 8.901 -0.216 119 2HD ARG 19 HD1 ARG 19 3.008 9.208 -1.854 120 HE ARG 19 HE ARG 19 0.852 9.327 -2.601 121 1HH1 ARG 19 HH11 ARG 19 0.824 7.703 0.523 122 2HH1 ARG 19 HH12 ARG 19 -0.907 7.697 0.634 123 1HH2 ARG 19 HH21 ARG 19 -1.414 9.377 -2.395 124 2HH2 ARG 19 HH22 ARG 19 -2.171 8.677 -0.984 125 H ASP 20 HN ASP 20 2.513 4.000 -1.555 126 HA ASP 20 HA ASP 20 0.946 3.969 0.883 127 1HB ASP 20 HB2 ASP 20 -0.233 4.391 -1.197 128 2HB ASP 20 HB1 ASP 20 0.360 2.865 -1.870 129 H THR 21 HN THR 21 2.593 1.658 -1.183 130 HA THR 21 HA THR 21 1.626 -0.557 0.358 131 HB THR 21 HB THR 21 3.642 -0.596 -1.893 132 HG1 THR 21 HG1 THR 21 0.799 -0.845 -1.902 133 1HG2 THR 21 HG21 THR 21 1.875 -2.778 -0.762 134 2HG2 THR 21 HG22 THR 21 3.630 -2.671 -0.585 135 3HG2 THR 21 HG23 THR 21 2.927 -2.939 -2.190 136 H LEU 22 HN LEU 22 4.419 1.432 0.313 137 HA LEU 22 HA LEU 22 6.266 -0.457 1.415 138 1HB LEU 22 HB2 LEU 22 6.830 1.623 0.098 139 2HB LEU 22 HB1 LEU 22 6.418 2.568 1.513 140 HG LEU 22 HG LEU 22 8.202 1.541 2.784 141 1HD1 LEU 22 HD11 LEU 22 8.732 -0.042 0.276 142 2HD1 LEU 22 HD12 LEU 22 8.168 -0.676 1.802 143 3HD1 LEU 22 HD13 LEU 22 9.780 0.008 1.679 144 1HD2 LEU 22 HD21 LEU 22 8.727 3.524 1.461 145 2HD2 LEU 22 HD22 LEU 22 9.115 2.515 0.077 146 3HD2 LEU 22 HD23 LEU 22 10.114 2.441 1.530 147 H GLN 23 HN GLN 23 5.438 -1.375 3.216 148 HA GLN 23 HA GLN 23 4.450 0.140 5.460 149 1HB GLN 23 HB2 GLN 23 5.206 -2.800 5.195 150 2HB GLN 23 HB1 GLN 23 4.353 -2.091 6.564 151 1HG GLN 23 HG2 GLN 23 2.484 -1.524 5.118 152 2HG GLN 23 HG1 GLN 23 3.359 -2.163 3.716 153 1HE2 GLN 23 HE21 GLN 23 3.400 -3.615 6.889 154 2HE2 GLN 23 HE22 GLN 23 2.520 -5.058 6.455 155 HA PRO 24 HA PRO 24 8.201 0.878 7.716 156 1HB PRO 24 HB2 PRO 24 6.778 -0.157 10.093 157 2HB PRO 24 HB1 PRO 24 7.551 1.414 9.841 158 1HG PRO 24 HG2 PRO 24 4.869 1.126 9.862 159 2HG PRO 24 HG1 PRO 24 5.680 2.319 8.817 160 1HD PRO 24 HD2 PRO 24 4.456 -0.315 8.119 161 2HD PRO 24 HD1 PRO 24 4.562 1.181 7.156 162 H GLY 25 HN GLY 25 9.775 -0.543 7.266 163 1HA GLY 25 HA2 GLY 25 11.138 -2.308 8.293 164 2HA GLY 25 HA1 GLY 25 9.640 -3.189 8.550 165 H MET 26 HN MET 26 9.018 -1.970 5.715 166 HA MET 26 HA MET 26 9.641 -4.396 4.329 167 1HB MET 26 HB2 MET 26 7.541 -3.159 3.948 168 2HB MET 26 HB1 MET 26 8.456 -1.810 3.292 169 1HG MET 26 HG2 MET 26 9.128 -3.106 1.403 170 2HG MET 26 HG1 MET 26 8.480 -4.573 2.115 171 1HE MET 26 HE1 MET 26 5.757 -3.676 3.320 172 2HE MET 26 HE2 MET 26 5.897 -5.120 2.327 173 3HE MET 26 HE3 MET 26 4.630 -3.942 1.990 174 H ARG 27 HN ARG 27 11.162 -4.821 2.905 175 HA ARG 27 HA ARG 27 13.451 -3.116 2.750 176 1HB ARG 27 HB2 ARG 27 13.026 -5.817 2.505 177 2HB ARG 27 HB1 ARG 27 13.368 -5.332 0.843 178 1HG ARG 27 HG2 ARG 27 15.440 -4.237 1.668 179 2HG ARG 27 HG1 ARG 27 15.120 -4.921 3.261 180 1HD ARG 27 HD2 ARG 27 14.964 -7.166 2.085 181 2HD ARG 27 HD1 ARG 27 15.698 -6.373 0.693 182 HE ARG 27 HE ARG 27 17.326 -5.799 2.837 183 1HH1 ARG 27 HH11 ARG 27 16.186 -8.685 1.225 184 2HH1 ARG 27 HH12 ARG 27 17.625 -9.596 1.563 185 1HH2 ARG 27 HH21 ARG 27 19.201 -6.989 3.314 186 2HH2 ARG 27 HH22 ARG 27 19.348 -8.640 2.758 187 H VAL 28 HN VAL 28 14.399 -2.229 0.895 188 HA VAL 28 HA VAL 28 12.627 -1.768 -1.396 189 HB VAL 28 HB VAL 28 13.174 0.577 -1.443 190 1HG1 VAL 28 HG11 VAL 28 12.089 -0.267 1.227 191 2HG1 VAL 28 HG12 VAL 28 11.179 -0.074 -0.263 192 3HG1 VAL 28 HG13 VAL 28 11.911 1.330 0.502 193 1HG2 VAL 28 HG21 VAL 28 14.368 1.671 0.374 194 2HG2 VAL 28 HG22 VAL 28 15.381 0.482 -0.443 195 3HG2 VAL 28 HG23 VAL 28 14.661 0.110 1.131 196 H ARG 29 HN ARG 29 13.731 -1.088 -3.310 197 HA ARG 29 HA ARG 29 16.640 -1.524 -3.295 198 1HB ARG 29 HB2 ARG 29 15.349 -3.426 -4.283 199 2HB ARG 29 HB1 ARG 29 14.749 -2.311 -5.501 200 1HG ARG 29 HG2 ARG 29 17.040 -1.946 -6.276 201 2HG ARG 29 HG1 ARG 29 17.613 -3.096 -5.065 202 1HD ARG 29 HD2 ARG 29 17.458 -4.325 -7.064 203 2HD ARG 29 HD1 ARG 29 16.029 -4.771 -6.153 204 HE ARG 29 HE ARG 29 16.118 -3.113 -8.577 205 1HH1 ARG 29 HH11 ARG 29 14.199 -4.656 -6.077 206 2HH1 ARG 29 HH12 ARG 29 12.694 -4.467 -6.924 207 1HH2 ARG 29 HH21 ARG 29 14.143 -2.931 -9.724 208 2HH2 ARG 29 HH22 ARG 29 12.663 -3.479 -8.977 209 H MET 30 HN MET 30 17.896 -0.188 -4.534 210 HA MET 30 HA MET 30 16.670 2.289 -5.436 211 1HB MET 30 HB2 MET 30 18.845 2.108 -4.129 212 2HB MET 30 HB1 MET 30 19.572 1.484 -5.609 213 1HG MET 30 HG2 MET 30 20.061 3.816 -5.376 214 2HG MET 30 HG1 MET 30 18.966 3.578 -6.744 215 1HE MET 30 HE1 MET 30 17.957 7.063 -5.141 216 2HE MET 30 HE2 MET 30 18.617 6.289 -6.592 217 3HE MET 30 HE3 MET 30 19.567 6.378 -5.103 218 H LEU 31 HN LEU 31 16.634 3.028 -7.597 219 HA LEU 31 HA LEU 31 16.829 0.867 -9.559 220 1HB LEU 31 HB2 LEU 31 15.512 3.579 -9.716 221 2HB LEU 31 HB1 LEU 31 15.564 2.423 -11.038 222 HG LEU 31 HG LEU 31 14.333 0.826 -9.437 223 1HD1 LEU 31 HD11 LEU 31 12.994 1.861 -7.722 224 2HD1 LEU 31 HD12 LEU 31 13.765 3.415 -8.038 225 3HD1 LEU 31 HD13 LEU 31 14.714 2.076 -7.393 226 1HD2 LEU 31 HD21 LEU 31 12.946 3.313 -10.442 227 2HD2 LEU 31 HD22 LEU 31 12.178 1.785 -10.042 228 3HD2 LEU 31 HD23 LEU 31 13.310 1.864 -11.395 229 H ASP 32 HN ASP 32 17.911 4.161 -9.006 230 HA ASP 32 HA ASP 32 20.005 3.769 -11.012 231 1HB ASP 32 HB2 ASP 32 19.668 6.056 -11.869 232 2HB ASP 32 HB1 ASP 32 18.266 5.027 -12.105 233 H ASP 33 HN ASP 33 21.861 5.201 -10.789 234 HA ASP 33 HA ASP 33 22.650 5.323 -8.045 235 1HB ASP 33 HB2 ASP 33 24.153 6.478 -10.411 236 2HB ASP 33 HB1 ASP 33 24.830 5.882 -8.894 237 H TYR 34 HN TYR 34 22.902 7.129 -6.742 238 HA TYR 34 HA TYR 34 22.430 9.775 -7.868 239 1HB TYR 34 HB2 TYR 34 20.180 8.741 -7.695 240 2HB TYR 34 HB1 TYR 34 20.420 8.587 -5.954 241 HD1 TYR 34 HD1 TYR 34 20.230 11.059 -8.708 242 HD2 TYR 34 HD2 TYR 34 19.895 10.380 -4.518 243 HE1 TYR 34 HE1 TYR 34 19.328 13.327 -8.414 244 HE2 TYR 34 HE2 TYR 34 18.970 12.636 -4.231 245 HH TYR 34 HH TYR 34 18.854 14.744 -5.300 246 H GLU 35 HN GLU 35 24.362 10.420 -6.886 247 HA GLU 35 HA GLU 35 25.325 11.839 -5.412 248 1HB GLU 35 HB2 GLU 35 23.087 12.697 -5.020 249 2HB GLU 35 HB1 GLU 35 22.809 11.473 -3.797 250 1HG GLU 35 HG2 GLU 35 24.494 12.427 -2.367 251 2HG GLU 35 HG1 GLU 35 24.932 13.595 -3.619 252 H GLU 36 HN GLU 36 24.286 8.801 -4.271 253 HA GLU 36 HA GLU 36 26.403 8.444 -2.448 254 1HB GLU 36 HB2 GLU 36 23.693 9.004 -1.263 255 2HB GLU 36 HB1 GLU 36 24.948 8.129 -0.383 256 1HG GLU 36 HG2 GLU 36 26.393 10.193 -0.737 257 2HG GLU 36 HG1 GLU 36 24.936 11.001 -1.287 258 H ILE 37 HN ILE 37 23.205 7.520 -3.469 259 HA ILE 37 HA ILE 37 23.779 4.727 -2.752 260 HB ILE 37 HB ILE 37 21.153 5.869 -3.702 261 1HG1 ILE 37 HG12 ILE 37 21.808 7.041 -1.654 262 2HG1 ILE 37 HG11 ILE 37 20.496 5.907 -1.300 263 1HG2 ILE 37 HG21 ILE 37 21.347 3.455 -3.923 264 2HG2 ILE 37 HG22 ILE 37 20.203 3.877 -2.638 265 3HG2 ILE 37 HG23 ILE 37 21.835 3.318 -2.224 266 1HD1 ILE 37 HD11 ILE 37 23.425 5.468 -0.717 267 2HD1 ILE 37 HD12 ILE 37 22.130 4.323 -0.406 268 3HD1 ILE 37 HD13 ILE 37 22.159 5.868 0.443 269 H SER 38 HN SER 38 23.461 3.050 -4.303 270 HA SER 38 HA SER 38 23.879 4.024 -7.059 271 1HB SER 38 HB2 SER 38 25.910 3.128 -5.951 272 2HB SER 38 HB1 SER 38 25.082 1.587 -5.730 273 HG SER 38 HG SER 38 25.150 2.618 -8.320 274 H ALA 39 HN ALA 39 23.121 2.667 -8.748 275 HA ALA 39 HA ALA 39 20.616 1.498 -8.380 276 1HB ALA 39 HB1 ALA 39 20.851 0.685 -10.673 277 2HB ALA 39 HB2 ALA 39 22.575 1.037 -10.619 278 3HB ALA 39 HB3 ALA 39 21.410 2.369 -10.536 279 H GLY 40 HN GLY 40 20.035 -0.461 -7.586 280 1HA GLY 40 HA2 GLY 40 20.331 -2.845 -7.475 281 2HA GLY 40 HA1 GLY 40 22.074 -2.594 -7.625 282 H ASP 41 HN ASP 41 21.578 -0.282 -5.570 283 HA ASP 41 HA ASP 41 22.259 -1.730 -3.277 284 1HB ASP 41 HB2 ASP 41 21.551 1.101 -3.832 285 2HB ASP 41 HB1 ASP 41 21.474 0.548 -2.162 286 H GLU 42 HN GLU 42 21.069 -2.042 -1.346 287 HA GLU 42 HA GLU 42 18.143 -1.988 -1.660 288 1HB GLU 42 HB2 GLU 42 19.798 -4.284 -0.583 289 2HB GLU 42 HB1 GLU 42 18.034 -4.223 -0.553 290 1HG GLU 42 HG2 GLU 42 17.981 -4.219 -2.978 291 2HG GLU 42 HG1 GLU 42 19.740 -4.199 -3.039 292 H GLY 43 HN GLY 43 16.988 -1.828 0.329 293 1HA GLY 43 HA2 GLY 43 18.462 -1.423 2.774 294 2HA GLY 43 HA1 GLY 43 17.809 0.059 2.071 295 H GLU 44 HN GLU 44 16.733 -0.054 4.269 296 HA GLU 44 HA GLU 44 14.186 -1.527 4.017 297 1HB GLU 44 HB2 GLU 44 15.700 -2.546 5.736 298 2HB GLU 44 HB1 GLU 44 15.704 -0.999 6.584 299 1HG GLU 44 HG2 GLU 44 13.241 -1.180 6.800 300 2HG GLU 44 HG1 GLU 44 13.342 -2.796 6.108 301 H PHE 45 HN PHE 45 12.356 -0.498 4.890 302 HA PHE 45 HA PHE 45 12.588 2.419 4.895 303 1HB PHE 45 HB2 PHE 45 10.959 1.644 3.362 304 2HB PHE 45 HB1 PHE 45 10.273 0.513 4.527 305 HD1 PHE 45 HD1 PHE 45 8.531 1.161 5.960 306 HD2 PHE 45 HD2 PHE 45 10.651 4.094 3.717 307 HE1 PHE 45 HE1 PHE 45 6.828 2.831 6.551 308 HE2 PHE 45 HE2 PHE 45 8.958 5.773 4.327 309 HZ PHE 45 HZ PHE 45 7.045 5.156 5.750 310 H ARG 46 HN ARG 46 12.662 3.403 6.799 311 HA ARG 46 HA ARG 46 11.633 1.951 9.147 312 1HB ARG 46 HB2 ARG 46 13.654 4.185 9.085 313 2HB ARG 46 HB1 ARG 46 13.154 3.291 10.514 314 1HG ARG 46 HG2 ARG 46 14.032 1.220 9.435 315 2HG ARG 46 HG1 ARG 46 14.685 2.238 8.145 316 1HD ARG 46 HD2 ARG 46 16.414 1.792 9.769 317 2HD ARG 46 HD1 ARG 46 15.980 3.500 9.841 318 HE ARG 46 HE ARG 46 14.865 3.082 11.908 319 1HH1 ARG 46 HH11 ARG 46 16.612 0.298 10.665 320 2HH1 ARG 46 HH12 ARG 46 16.730 -0.467 12.218 321 1HH2 ARG 46 HH21 ARG 46 15.017 2.046 13.955 322 2HH2 ARG 46 HH22 ARG 46 15.814 0.494 14.072 323 H GLN 47 HN GLN 47 11.847 5.243 7.828 324 HA GLN 47 HA GLN 47 9.254 5.906 8.845 325 1HB GLN 47 HB2 GLN 47 10.153 7.883 10.188 326 2HB GLN 47 HB1 GLN 47 10.303 6.296 10.937 327 1HG GLN 47 HG2 GLN 47 12.606 6.206 10.516 328 2HG GLN 47 HG1 GLN 47 12.554 7.568 9.391 329 1HE2 GLN 47 HE21 GLN 47 10.923 9.250 10.957 330 2HE2 GLN 47 HE22 GLN 47 11.866 9.782 12.321 331 H SER 48 HN SER 48 8.468 7.908 8.025 332 HA SER 48 HA SER 48 10.122 9.515 6.311 333 1HB SER 48 HB2 SER 48 8.206 7.550 5.012 334 2HB SER 48 HB1 SER 48 9.047 8.870 4.183 335 HG SER 48 HG SER 48 10.702 7.207 5.640 336 H ASN 49 HN ASN 49 8.437 10.595 4.625 337 HA ASN 49 HA ASN 49 6.083 11.485 6.171 338 1HB ASN 49 HB2 ASN 49 8.187 13.107 4.795 339 2HB ASN 49 HB1 ASN 49 6.535 13.699 4.846 340 1HD2 ASN 49 HD21 ASN 49 7.794 11.814 7.481 341 2HD2 ASN 49 HD22 ASN 49 7.957 13.132 8.611 342 H ASN 50 HN ASN 50 4.233 11.472 4.972 343 HA ASN 50 HA ASN 50 4.434 10.167 2.420 344 1HB ASN 50 HB2 ASN 50 2.645 9.624 4.109 345 2HB ASN 50 HB1 ASN 50 1.948 11.218 3.810 346 1HD2 ASN 50 HD21 ASN 50 0.775 11.547 1.969 347 2HD2 ASN 50 HD22 ASN 50 0.334 10.286 0.873 348 H GLY 51 HN GLY 51 2.681 13.078 3.430 349 1HA GLY 51 HA2 GLY 51 2.137 14.262 1.051 350 2HA GLY 51 HA1 GLY 51 2.565 15.192 2.481 351 H VAL 52 HN VAL 52 5.177 14.930 2.807 352 HA VAL 52 HA VAL 52 6.208 16.208 0.405 353 HB VAL 52 HB VAL 52 8.139 16.860 1.835 354 1HG1 VAL 52 HG11 VAL 52 6.263 18.360 1.530 355 2HG1 VAL 52 HG12 VAL 52 6.878 18.507 3.166 356 3HG1 VAL 52 HG13 VAL 52 5.400 17.596 2.858 357 1HG2 VAL 52 HG21 VAL 52 6.515 15.596 4.044 358 2HG2 VAL 52 HG22 VAL 52 7.939 16.619 4.261 359 3HG2 VAL 52 HG23 VAL 52 8.096 15.065 3.452 360 HA PRO 53 HA PRO 53 8.480 12.966 -1.308 361 1HB PRO 53 HB2 PRO 53 10.865 14.290 -1.883 362 2HB PRO 53 HB1 PRO 53 9.419 14.210 -2.883 363 1HG PRO 53 HG2 PRO 53 10.349 16.356 -1.043 364 2HG PRO 53 HG1 PRO 53 9.500 16.500 -2.590 365 1HD PRO 53 HD2 PRO 53 8.246 16.857 -0.234 366 2HD PRO 53 HD1 PRO 53 7.436 16.132 -1.642 367 HA PRO 54 HA PRO 54 12.675 12.891 1.317 368 1HB PRO 54 HB2 PRO 54 12.165 13.680 3.939 369 2HB PRO 54 HB1 PRO 54 13.044 14.620 2.741 370 1HG PRO 54 HG2 PRO 54 10.181 14.813 3.558 371 2HG PRO 54 HG1 PRO 54 11.333 16.107 3.193 372 1HD PRO 54 HD2 PRO 54 9.502 15.403 1.402 373 2HD PRO 54 HD1 PRO 54 11.168 15.776 0.884 374 H VAL 55 HN VAL 55 12.637 10.795 1.448 375 HA VAL 55 HA VAL 55 11.026 9.490 3.532 376 HB VAL 55 HB VAL 55 10.199 8.675 1.445 377 1HG1 VAL 55 HG11 VAL 55 11.580 7.794 -0.341 378 2HG1 VAL 55 HG12 VAL 55 13.051 8.151 0.592 379 3HG1 VAL 55 HG13 VAL 55 12.023 9.473 0.018 380 1HG2 VAL 55 HG21 VAL 55 12.241 6.678 2.415 381 2HG2 VAL 55 HG22 VAL 55 10.812 6.325 1.427 382 3HG2 VAL 55 HG23 VAL 55 10.629 6.906 3.080 383 H GLN 56 HN GLN 56 12.176 8.377 5.058 384 HA GLN 56 HA GLN 56 15.085 8.495 4.736 385 1HB GLN 56 HB2 GLN 56 14.220 9.501 6.775 386 2HB GLN 56 HB1 GLN 56 13.481 7.976 7.251 387 1HG GLN 56 HG2 GLN 56 15.696 6.929 7.290 388 2HG GLN 56 HG1 GLN 56 16.427 8.470 6.849 389 1HE2 GLN 56 HE21 GLN 56 16.566 10.080 8.381 390 2HE2 GLN 56 HE22 GLN 56 16.397 9.748 10.087 391 H VAL 57 HN VAL 57 16.050 6.788 3.985 392 HA VAL 57 HA VAL 57 14.908 4.153 4.647 393 HB VAL 57 HB VAL 57 16.247 4.971 2.060 394 1HG1 VAL 57 HG11 VAL 57 16.886 2.708 2.591 395 2HG1 VAL 57 HG12 VAL 57 15.687 2.674 1.308 396 3HG1 VAL 57 HG13 VAL 57 15.207 2.290 2.956 397 1HG2 VAL 57 HG21 VAL 57 13.959 5.773 2.161 398 2HG2 VAL 57 HG22 VAL 57 13.409 4.177 2.668 399 3HG2 VAL 57 HG23 VAL 57 14.063 4.410 1.047 400 H PHE 58 HN PHE 58 16.253 2.744 5.560 401 HA PHE 58 HA PHE 58 19.038 3.495 5.867 402 1HB PHE 58 HB2 PHE 58 17.951 2.664 7.872 403 2HB PHE 58 HB1 PHE 58 17.464 1.184 7.041 404 HD1 PHE 58 HD1 PHE 58 18.761 -0.702 7.278 405 HD2 PHE 58 HD2 PHE 58 20.568 3.095 7.948 406 HE1 PHE 58 HE1 PHE 58 20.819 -1.821 7.999 407 HE2 PHE 58 HE2 PHE 58 22.626 1.974 8.655 408 HZ PHE 58 HZ PHE 58 22.766 -0.478 8.680 409 H TRP 59 HN TRP 59 20.430 2.922 4.411 410 HA TRP 59 HA TRP 59 19.727 0.733 2.578 411 1HB TRP 59 HB2 TRP 59 21.953 2.790 2.391 412 2HB TRP 59 HB1 TRP 59 21.627 1.551 1.198 413 HD1 TRP 59 HD1 TRP 59 20.401 4.910 2.436 414 HE1 TRP 59 HE1 TRP 59 18.589 5.813 0.836 415 HE3 TRP 59 HE3 TRP 59 19.718 0.742 -0.413 416 HZ2 TRP 59 HZ2 TRP 59 17.080 4.874 -1.331 417 HZ3 TRP 59 HZ3 TRP 59 18.067 0.822 -2.237 418 HH2 TRP 59 HH2 TRP 59 16.775 2.834 -2.684 419 H GLU 60 HN GLU 60 20.438 -1.216 2.991 420 HA GLU 60 HA GLU 60 22.314 -1.512 5.156 421 1HB GLU 60 HB2 GLU 60 21.584 -3.869 5.179 422 2HB GLU 60 HB1 GLU 60 20.262 -2.724 5.316 423 1HG GLU 60 HG2 GLU 60 19.830 -3.011 2.913 424 2HG GLU 60 HG1 GLU 60 21.070 -4.263 2.886 425 H SER 61 HN SER 61 22.172 -1.978 1.765 426 HA SER 61 HA SER 61 24.419 -3.656 1.499 427 1HB SER 61 HB2 SER 61 24.400 -2.693 -0.886 428 2HB SER 61 HB1 SER 61 22.963 -3.561 -0.343 429 HG SER 61 HG SER 61 23.240 -0.942 -1.077 430 H THR 62 HN THR 62 23.999 -0.175 1.715 431 HA THR 62 HA THR 62 26.842 0.291 1.417 432 HB THR 62 HB THR 62 24.699 2.283 2.157 433 HG1 THR 62 HG1 THR 62 25.069 0.990 -0.167 434 1HG2 THR 62 HG21 THR 62 26.293 3.940 1.291 435 2HG2 THR 62 HG22 THR 62 27.446 2.640 0.956 436 3HG2 THR 62 HG23 THR 62 26.990 3.005 2.621 437 H GLY 63 HN GLY 63 24.343 0.926 3.852 438 1HA GLY 63 HA2 GLY 63 24.641 0.071 6.124 439 2HA GLY 63 HA1 GLY 63 26.358 0.437 5.955 440 H ARG 64 HN ARG 64 24.077 2.700 4.694 441 HA ARG 64 HA ARG 64 24.210 4.308 7.131 442 1HB ARG 64 HB2 ARG 64 24.735 6.322 5.873 443 2HB ARG 64 HB1 ARG 64 26.026 5.137 5.722 444 1HG ARG 64 HG2 ARG 64 25.302 4.548 3.508 445 2HG ARG 64 HG1 ARG 64 23.875 5.572 3.646 446 1HD ARG 64 HD2 ARG 64 26.736 6.556 3.725 447 2HD ARG 64 HD1 ARG 64 25.682 6.593 2.303 448 HE ARG 64 HE ARG 64 24.210 8.087 3.668 449 1HH1 ARG 64 HH11 ARG 64 27.648 7.848 4.293 450 2HH1 ARG 64 HH12 ARG 64 27.739 9.379 5.097 451 1HH2 ARG 64 HH21 ARG 64 24.340 10.151 4.698 452 2HH2 ARG 64 HH22 ARG 64 25.868 10.688 5.332 453 H THR 65 HN THR 65 22.481 5.729 7.420 454 HA THR 65 HA THR 65 20.107 5.107 5.875 455 HB THR 65 HB THR 65 20.259 7.197 8.036 456 HG1 THR 65 HG1 THR 65 19.687 5.243 9.416 457 1HG2 THR 65 HG21 THR 65 18.157 6.991 6.890 458 2HG2 THR 65 HG22 THR 65 17.996 6.347 8.527 459 3HG2 THR 65 HG23 THR 65 18.140 5.248 7.152 460 H TYR 66 HN TYR 66 18.935 6.636 4.676 461 HA TYR 66 HA TYR 66 20.140 9.217 4.133 462 1HB TYR 66 HB2 TYR 66 21.367 7.763 2.586 463 2HB TYR 66 HB1 TYR 66 19.856 7.087 1.987 464 HD1 TYR 66 HD1 TYR 66 21.211 10.538 2.473 465 HD2 TYR 66 HD2 TYR 66 19.370 7.754 -0.149 466 HE1 TYR 66 HE1 TYR 66 21.188 12.245 0.702 467 HE2 TYR 66 HE2 TYR 66 19.317 9.455 -1.929 468 HH TYR 66 HH TYR 66 21.063 12.390 -1.746 469 H TRP 67 HN TRP 67 18.705 10.698 3.218 470 HA TRP 67 HA TRP 67 15.894 9.830 3.147 471 1HB TRP 67 HB2 TRP 67 17.130 12.601 3.056 472 2HB TRP 67 HB1 TRP 67 15.391 12.269 3.025 473 HD1 TRP 67 HD1 TRP 67 14.209 11.816 5.300 474 HE1 TRP 67 HE1 TRP 67 14.956 11.978 7.745 475 HE3 TRP 67 HE3 TRP 67 19.262 12.164 4.564 476 HZ2 TRP 67 HZ2 TRP 67 17.398 12.189 9.204 477 HZ3 TRP 67 HZ3 TRP 67 20.735 12.316 6.526 478 HH2 TRP 67 HH2 TRP 67 19.820 12.340 8.788 479 H VAL 68 HN VAL 68 15.109 9.272 1.265 480 HA VAL 68 HA VAL 68 16.444 10.227 -1.189 481 HB VAL 68 HB VAL 68 14.622 7.865 -1.282 482 1HG1 VAL 68 HG11 VAL 68 16.415 7.027 -2.771 483 2HG1 VAL 68 HG12 VAL 68 17.264 8.552 -2.531 484 3HG1 VAL 68 HG13 VAL 68 15.691 8.540 -3.311 485 1HG2 VAL 68 HG21 VAL 68 15.801 7.412 0.773 486 2HG2 VAL 68 HG22 VAL 68 17.348 7.721 -0.017 487 3HG2 VAL 68 HG23 VAL 68 16.365 6.332 -0.505 488 H HIS 69 HN HIS 69 14.699 10.047 -3.118 489 HA HIS 69 HA HIS 69 12.239 11.351 -2.257 490 1HB HIS 69 HB2 HIS 69 13.449 10.945 -4.986 491 2HB HIS 69 HB1 HIS 69 11.911 11.742 -4.701 492 HD1 HIS 69 HD1 HIS 69 11.977 14.193 -4.287 493 HD2 HIS 69 HD2 HIS 69 15.696 12.405 -3.795 494 HE1 HIS 69 HE1 HIS 69 13.575 16.073 -3.915 495 HE2 HIS 69 HE2 HIS 69 15.850 14.998 -3.770 496 H TRP 70 HN TRP 70 10.260 10.399 -2.410 497 HA TRP 70 HA TRP 70 9.928 7.708 -2.308 498 1HB TRP 70 HB2 TRP 70 7.993 9.849 -3.163 499 2HB TRP 70 HB1 TRP 70 7.506 8.141 -3.041 500 HD1 TRP 70 HD1 TRP 70 7.857 11.242 -1.034 501 HE1 TRP 70 HE1 TRP 70 7.351 10.724 1.448 502 HE3 TRP 70 HE3 TRP 70 7.966 6.126 -1.209 503 HZ2 TRP 70 HZ2 TRP 70 7.061 8.485 3.077 504 HZ3 TRP 70 HZ3 TRP 70 7.546 4.867 0.853 505 HH2 TRP 70 HH2 TRP 70 7.102 6.029 2.973 506 H HIS 71 HN HIS 71 9.715 9.682 -5.245 507 HA HIS 71 HA HIS 71 8.618 7.599 -6.816 508 1HB HIS 71 HB2 HIS 71 9.038 9.024 -8.779 509 2HB HIS 71 HB1 HIS 71 8.241 9.910 -7.466 510 HD1 HIS 71 HD1 HIS 71 9.027 12.223 -7.953 511 HD2 HIS 71 HD2 HIS 71 12.168 9.494 -7.947 512 HE1 HIS 71 HE1 HIS 71 11.119 13.597 -8.107 513 HE2 HIS 71 HE2 HIS 71 12.971 11.911 -8.406 514 H MET 72 HN MET 72 11.729 7.715 -5.648 515 HA MET 72 HA MET 72 12.709 6.249 -8.010 516 1HB MET 72 HB2 MET 72 14.946 7.037 -7.505 517 2HB MET 72 HB1 MET 72 13.851 8.404 -7.630 518 1HG MET 72 HG2 MET 72 13.679 8.158 -5.063 519 2HG MET 72 HG1 MET 72 15.172 7.250 -5.217 520 1HE MET 72 HE1 MET 72 16.402 8.862 -7.827 521 2HE MET 72 HE2 MET 72 17.333 8.243 -6.451 522 3HE MET 72 HE3 MET 72 17.498 9.927 -6.929 523 H LEU 73 HN LEU 73 11.277 5.351 -5.481 524 HA LEU 73 HA LEU 73 13.345 3.497 -4.512 525 1HB LEU 73 HB2 LEU 73 10.720 4.263 -3.256 526 2HB LEU 73 HB1 LEU 73 11.844 3.084 -2.595 527 HG LEU 73 HG LEU 73 12.388 6.036 -2.934 528 1HD1 LEU 73 HD11 LEU 73 12.296 6.077 -0.500 529 2HD1 LEU 73 HD12 LEU 73 11.885 4.365 -0.472 530 3HD1 LEU 73 HD13 LEU 73 10.766 5.519 -1.188 531 1HD2 LEU 73 HD21 LEU 73 14.063 3.890 -1.627 532 2HD2 LEU 73 HD22 LEU 73 14.434 5.609 -1.724 533 3HD2 LEU 73 HD23 LEU 73 14.394 4.634 -3.192 534 H GLU 74 HN GLU 74 13.108 1.358 -4.800 535 HA GLU 74 HA GLU 74 10.668 0.425 -6.168 536 1HB GLU 74 HB2 GLU 74 13.340 0.103 -6.814 537 2HB GLU 74 HB1 GLU 74 12.893 -1.454 -6.090 538 1HG GLU 74 HG2 GLU 74 11.405 -0.096 -8.341 539 2HG GLU 74 HG1 GLU 74 12.622 -1.344 -8.547 540 H ILE 75 HN ILE 75 9.418 -1.145 -5.286 541 HA ILE 75 HA ILE 75 9.985 -1.788 -2.469 542 HB ILE 75 HB ILE 75 7.449 -1.948 -4.112 543 1HG1 ILE 75 HG12 ILE 75 8.360 -0.234 -1.786 544 2HG1 ILE 75 HG11 ILE 75 7.965 0.289 -3.429 545 1HG2 ILE 75 HG21 ILE 75 6.297 -2.675 -2.093 546 2HG2 ILE 75 HG22 ILE 75 7.839 -2.786 -1.255 547 3HG2 ILE 75 HG23 ILE 75 7.503 -3.855 -2.620 548 1HD1 ILE 75 HD11 ILE 75 5.991 -0.879 -1.486 549 2HD1 ILE 75 HD12 ILE 75 5.642 -0.245 -3.091 550 3HD1 ILE 75 HD13 ILE 75 6.203 0.841 -1.823 551 H LEU 76 HN LEU 76 10.399 -3.773 -1.746 552 HA LEU 76 HA LEU 76 10.138 -6.050 -3.586 553 1HB LEU 76 HB2 LEU 76 11.707 -5.649 -1.035 554 2HB LEU 76 HB1 LEU 76 11.442 -7.248 -1.707 555 HG LEU 76 HG LEU 76 12.597 -6.529 -3.796 556 1HD1 LEU 76 HD11 LEU 76 13.959 -4.512 -3.765 557 2HD1 LEU 76 HD12 LEU 76 13.361 -4.111 -2.165 558 3HD1 LEU 76 HD13 LEU 76 12.256 -4.093 -3.547 559 1HD2 LEU 76 HD21 LEU 76 14.837 -6.633 -2.828 560 2HD2 LEU 76 HD22 LEU 76 13.754 -7.791 -2.060 561 3HD2 LEU 76 HD23 LEU 76 14.174 -6.272 -1.243 562 H GLY 77 HN GLY 77 9.842 -5.531 -0.096 563 1HA GLY 77 HA2 GLY 77 8.213 -6.100 1.418 564 2HA GLY 77 HA1 GLY 77 7.089 -6.034 0.056 565 H PHE 78 HN PHE 78 5.987 -7.788 1.089 566 HA PHE 78 HA PHE 78 7.172 -10.344 0.262 567 1HB PHE 78 HB2 PHE 78 5.567 -9.879 2.785 568 2HB PHE 78 HB1 PHE 78 6.129 -11.449 2.206 569 HD1 PHE 78 HD1 PHE 78 8.598 -11.872 2.085 570 HD2 PHE 78 HD2 PHE 78 6.949 -8.471 4.038 571 HE1 PHE 78 HE1 PHE 78 10.706 -11.541 3.293 572 HE2 PHE 78 HE2 PHE 78 9.064 -8.121 5.246 573 HZ PHE 78 HZ PHE 78 10.962 -9.660 4.865 574 H GLU 79 HN GLU 79 5.178 -8.236 -0.693 575 HA GLU 79 HA GLU 79 2.636 -9.363 -0.913 576 1HB GLU 79 HB2 GLU 79 4.092 -7.761 -3.016 577 2HB GLU 79 HB1 GLU 79 2.351 -7.951 -2.854 578 1HG GLU 79 HG2 GLU 79 4.143 -6.583 -0.866 579 2HG GLU 79 HG1 GLU 79 3.099 -5.787 -2.023 580 H GLU 80 HN GLU 80 5.585 -9.820 -2.737 581 HA GLU 80 HA GLU 80 4.609 -12.412 -3.663 582 1HB GLU 80 HB2 GLU 80 4.222 -10.773 -5.499 583 2HB GLU 80 HB1 GLU 80 5.937 -10.426 -5.522 584 1HG GLU 80 HG2 GLU 80 6.423 -12.672 -6.215 585 2HG GLU 80 HG1 GLU 80 4.727 -13.136 -6.018 Start of MODEL 3 1 H MET 4 HN MET 4 5.514 1.783 -17.869 2 HA MET 4 HA MET 4 7.948 1.450 -16.449 3 1HB MET 4 HB2 MET 4 7.067 3.538 -18.431 4 2HB MET 4 HB1 MET 4 8.690 3.470 -17.756 5 1HG MET 4 HG2 MET 4 8.956 1.209 -18.681 6 2HG MET 4 HG1 MET 4 7.341 1.348 -19.417 7 1HE MET 4 HE1 MET 4 8.432 0.719 -21.753 8 2HE MET 4 HE2 MET 4 10.068 0.705 -21.073 9 3HE MET 4 HE3 MET 4 9.725 1.643 -22.514 10 H ARG 5 HN ARG 5 9.076 3.069 -15.257 11 HA ARG 5 HA ARG 5 7.712 3.718 -12.961 12 1HB ARG 5 HB2 ARG 5 10.217 3.442 -13.339 13 2HB ARG 5 HB1 ARG 5 10.198 5.121 -13.906 14 1HG ARG 5 HG2 ARG 5 9.201 5.713 -11.669 15 2HG ARG 5 HG1 ARG 5 9.578 4.071 -11.154 16 1HD ARG 5 HD2 ARG 5 11.469 6.234 -12.047 17 2HD ARG 5 HD1 ARG 5 11.380 5.440 -10.478 18 HE ARG 5 HE ARG 5 11.941 3.599 -12.598 19 1HH1 ARG 5 HH11 ARG 5 13.354 5.832 -10.281 20 2HH1 ARG 5 HH12 ARG 5 14.962 5.194 -10.505 21 1HH2 ARG 5 HH21 ARG 5 14.062 2.764 -12.834 22 2HH2 ARG 5 HH22 ARG 5 15.371 3.477 -11.905 23 H SER 6 HN SER 6 8.850 5.983 -15.480 24 HA SER 6 HA SER 6 7.414 8.141 -14.129 25 1HB SER 6 HB2 SER 6 9.806 8.400 -14.839 26 2HB SER 6 HB1 SER 6 9.263 8.332 -16.521 27 HG SER 6 HG SER 6 8.278 10.263 -16.300 28 H GLU 7 HN GLU 7 6.326 5.907 -16.069 29 HA GLU 7 HA GLU 7 5.198 7.650 -18.118 30 1HB GLU 7 HB2 GLU 7 5.239 4.665 -17.812 31 2HB GLU 7 HB1 GLU 7 4.264 5.473 -19.015 32 1HG GLU 7 HG2 GLU 7 7.247 5.511 -18.755 33 2HG GLU 7 HG1 GLU 7 6.289 4.792 -20.049 34 H PHE 8 HN PHE 8 4.396 7.216 -15.109 35 HA PHE 8 HA PHE 8 1.608 6.609 -15.353 36 1HB PHE 8 HB2 PHE 8 3.337 7.756 -13.138 37 2HB PHE 8 HB1 PHE 8 1.566 7.771 -13.008 38 HD1 PHE 8 HD1 PHE 8 0.575 5.993 -11.961 39 HD2 PHE 8 HD2 PHE 8 4.302 5.378 -13.906 40 HE1 PHE 8 HE1 PHE 8 0.592 3.663 -11.180 41 HE2 PHE 8 HE2 PHE 8 4.326 3.037 -13.137 42 HZ PHE 8 HZ PHE 8 2.465 2.171 -11.762 43 H ALA 9 HN ALA 9 -0.005 8.343 -14.512 44 HA ALA 9 HA ALA 9 -0.384 10.121 -16.566 45 1HB ALA 9 HB1 ALA 9 -1.441 10.410 -13.762 46 2HB ALA 9 HB2 ALA 9 -2.121 9.396 -15.030 47 3HB ALA 9 HB3 ALA 9 -2.117 11.149 -15.230 48 H SER 10 HN SER 10 0.992 10.895 -13.385 49 HA SER 10 HA SER 10 1.953 13.433 -14.582 50 1HB SER 10 HB2 SER 10 0.311 13.752 -12.755 51 2HB SER 10 HB1 SER 10 1.351 12.834 -11.664 52 HG SER 10 HG SER 10 2.802 14.464 -11.642 53 H GLY 11 HN GLY 11 3.000 10.505 -14.172 54 1HA GLY 11 HA2 GLY 11 5.129 9.620 -14.059 55 2HA GLY 11 HA1 GLY 11 5.752 11.247 -13.813 56 H ASN 12 HN ASN 12 4.939 12.127 -11.570 57 HA ASN 12 HA ASN 12 6.258 10.733 -9.558 58 1HB ASN 12 HB2 ASN 12 5.382 12.342 -8.012 59 2HB ASN 12 HB1 ASN 12 5.858 13.153 -9.494 60 1HD2 ASN 12 HD21 ASN 12 3.257 12.309 -7.386 61 2HD2 ASN 12 HD22 ASN 12 2.044 13.255 -8.179 62 H THR 13 HN THR 13 3.080 10.322 -10.786 63 HA THR 13 HA THR 13 1.570 9.548 -8.630 64 HB THR 13 HB THR 13 1.428 8.030 -11.200 65 HG1 THR 13 HG1 THR 13 0.691 10.773 -10.852 66 1HG2 THR 13 HG21 THR 13 -0.669 9.319 -9.451 67 2HG2 THR 13 HG22 THR 13 -0.278 7.613 -9.485 68 3HG2 THR 13 HG23 THR 13 -0.984 8.370 -10.903 69 H TYR 14 HN TYR 14 4.062 7.736 -10.301 70 HA TYR 14 HA TYR 14 3.506 5.189 -9.298 71 1HB TYR 14 HB2 TYR 14 5.048 5.592 -11.156 72 2HB TYR 14 HB1 TYR 14 6.169 6.364 -10.058 73 HD1 TYR 14 HD1 TYR 14 7.893 5.082 -9.118 74 HD2 TYR 14 HD2 TYR 14 4.393 3.140 -10.585 75 HE1 TYR 14 HE1 TYR 14 8.946 2.898 -8.716 76 HE2 TYR 14 HE2 TYR 14 5.425 0.952 -10.156 77 HH TYR 14 HH TYR 14 7.676 -0.016 -9.953 78 H ALA 15 HN ALA 15 5.517 7.817 -8.119 79 HA ALA 15 HA ALA 15 6.572 6.498 -5.860 80 1HB ALA 15 HB1 ALA 15 7.594 8.494 -6.856 81 2HB ALA 15 HB2 ALA 15 7.254 8.731 -5.133 82 3HB ALA 15 HB3 ALA 15 6.198 9.446 -6.355 83 H LEU 16 HN LEU 16 3.625 8.329 -6.380 84 HA LEU 16 HA LEU 16 3.058 8.487 -3.581 85 1HB LEU 16 HB2 LEU 16 0.944 9.495 -4.176 86 2HB LEU 16 HB1 LEU 16 2.246 10.251 -5.053 87 HG LEU 16 HG LEU 16 1.540 8.704 -7.006 88 1HD1 LEU 16 HD11 LEU 16 0.029 7.294 -5.714 89 2HD1 LEU 16 HD12 LEU 16 -0.813 8.117 -7.026 90 3HD1 LEU 16 HD13 LEU 16 -0.987 8.695 -5.375 91 1HD2 LEU 16 HD21 LEU 16 -0.099 10.384 -7.718 92 2HD2 LEU 16 HD22 LEU 16 1.337 11.118 -7.006 93 3HD2 LEU 16 HD23 LEU 16 -0.152 11.012 -6.069 94 H TYR 17 HN TYR 17 2.358 6.315 -6.188 95 HA TYR 17 HA TYR 17 0.438 4.791 -4.805 96 1HB TYR 17 HB2 TYR 17 0.594 4.675 -7.213 97 2HB TYR 17 HB1 TYR 17 2.247 4.076 -7.119 98 HD1 TYR 17 HD1 TYR 17 2.666 1.733 -6.916 99 HD2 TYR 17 HD2 TYR 17 -1.266 3.247 -6.303 100 HE1 TYR 17 HE1 TYR 17 1.792 -0.568 -6.860 101 HE2 TYR 17 HE2 TYR 17 -2.149 0.955 -6.291 102 HH TYR 17 HH TYR 17 -0.133 -1.784 -6.033 103 H VAL 18 HN VAL 18 3.910 4.286 -5.402 104 HA VAL 18 HA VAL 18 4.138 1.886 -4.023 105 HB VAL 18 HB VAL 18 6.532 2.278 -3.835 106 1HG1 VAL 18 HG11 VAL 18 7.032 2.601 -6.224 107 2HG1 VAL 18 HG12 VAL 18 5.397 3.208 -6.464 108 3HG1 VAL 18 HG13 VAL 18 5.651 1.535 -5.962 109 1HG2 VAL 18 HG21 VAL 18 5.945 5.071 -4.779 110 2HG2 VAL 18 HG22 VAL 18 7.555 4.373 -4.632 111 3HG2 VAL 18 HG23 VAL 18 6.546 4.607 -3.204 112 H ARG 19 HN ARG 19 4.122 5.141 -2.655 113 HA ARG 19 HA ARG 19 5.140 4.410 -0.156 114 1HB ARG 19 HB2 ARG 19 4.302 6.532 0.660 115 2HB ARG 19 HB1 ARG 19 5.068 6.755 -0.903 116 1HG ARG 19 HG2 ARG 19 3.189 8.075 -1.096 117 2HG ARG 19 HG1 ARG 19 2.660 6.557 -1.843 118 1HD ARG 19 HD2 ARG 19 0.887 7.208 -0.437 119 2HD ARG 19 HD1 ARG 19 1.721 5.937 0.453 120 HE ARG 19 HE ARG 19 2.049 8.829 1.028 121 1HH1 ARG 19 HH11 ARG 19 1.848 5.489 2.114 122 2HH1 ARG 19 HH12 ARG 19 1.853 5.910 3.797 123 1HH2 ARG 19 HH21 ARG 19 2.071 9.379 3.234 124 2HH2 ARG 19 HH22 ARG 19 2.030 8.115 4.441 125 H ASP 20 HN ASP 20 2.146 3.781 -1.609 126 HA ASP 20 HA ASP 20 0.689 3.501 0.878 127 1HB ASP 20 HB2 ASP 20 -0.560 4.193 -1.063 128 2HB ASP 20 HB1 ASP 20 -0.001 2.806 -1.991 129 H THR 21 HN THR 21 2.231 1.440 -1.491 130 HA THR 21 HA THR 21 1.373 -0.992 -0.238 131 HB THR 21 HB THR 21 3.435 -0.560 -2.408 132 HG1 THR 21 HG1 THR 21 0.620 -0.822 -2.386 133 1HG2 THR 21 HG21 THR 21 3.016 -2.908 -2.948 134 2HG2 THR 21 HG22 THR 21 1.940 -3.025 -1.569 135 3HG2 THR 21 HG23 THR 21 3.657 -2.721 -1.315 136 H LEU 22 HN LEU 22 4.356 0.898 -0.422 137 HA LEU 22 HA LEU 22 5.845 -1.104 1.065 138 1HB LEU 22 HB2 LEU 22 6.655 0.560 -0.813 139 2HB LEU 22 HB1 LEU 22 6.875 1.650 0.536 140 HG LEU 22 HG LEU 22 8.938 0.467 -0.116 141 1HD1 LEU 22 HD11 LEU 22 9.621 -0.231 2.110 142 2HD1 LEU 22 HD12 LEU 22 7.941 -0.262 2.620 143 3HD1 LEU 22 HD13 LEU 22 8.679 1.260 2.181 144 1HD2 LEU 22 HD21 LEU 22 7.460 -1.987 0.788 145 2HD2 LEU 22 HD22 LEU 22 9.174 -1.905 0.383 146 3HD2 LEU 22 HD23 LEU 22 7.964 -1.626 -0.867 147 H GLN 23 HN GLN 23 5.122 -1.269 3.088 148 HA GLN 23 HA GLN 23 4.577 1.107 4.685 149 1HB GLN 23 HB2 GLN 23 3.772 -0.453 6.352 150 2HB GLN 23 HB1 GLN 23 3.038 -0.809 4.786 151 1HG GLN 23 HG2 GLN 23 4.379 -2.718 4.508 152 2HG GLN 23 HG1 GLN 23 5.453 -2.247 5.823 153 1HE2 GLN 23 HE21 GLN 23 4.780 -2.501 7.937 154 2HE2 GLN 23 HE22 GLN 23 3.465 -3.543 8.375 155 HA PRO 24 HA PRO 24 8.297 1.394 7.064 156 1HB PRO 24 HB2 PRO 24 6.618 0.831 9.487 157 2HB PRO 24 HB1 PRO 24 7.749 2.164 9.192 158 1HG PRO 24 HG2 PRO 24 5.124 2.551 9.065 159 2HG PRO 24 HG1 PRO 24 6.213 3.316 7.907 160 1HD PRO 24 HD2 PRO 24 4.403 0.982 7.497 161 2HD PRO 24 HD1 PRO 24 4.843 2.281 6.366 162 H GLY 25 HN GLY 25 9.759 -0.144 7.139 163 1HA GLY 25 HA2 GLY 25 10.684 -2.006 8.398 164 2HA GLY 25 HA1 GLY 25 9.063 -2.701 8.413 165 H MET 26 HN MET 26 8.786 -1.824 5.507 166 HA MET 26 HA MET 26 9.661 -4.340 4.438 167 1HB MET 26 HB2 MET 26 8.301 -1.994 3.138 168 2HB MET 26 HB1 MET 26 8.729 -3.457 2.278 169 1HG MET 26 HG2 MET 26 7.352 -4.726 3.977 170 2HG MET 26 HG1 MET 26 6.762 -3.144 4.503 171 1HE MET 26 HE1 MET 26 3.890 -4.927 2.308 172 2HE MET 26 HE2 MET 26 4.318 -4.387 3.932 173 3HE MET 26 HE3 MET 26 5.152 -5.764 3.207 174 H ARG 27 HN ARG 27 11.083 -4.716 2.801 175 HA ARG 27 HA ARG 27 13.368 -2.964 2.739 176 1HB ARG 27 HB2 ARG 27 12.837 -5.739 2.001 177 2HB ARG 27 HB1 ARG 27 13.963 -4.927 0.931 178 1HG ARG 27 HG2 ARG 27 15.236 -4.225 3.006 179 2HG ARG 27 HG1 ARG 27 14.209 -5.363 3.893 180 1HD ARG 27 HD2 ARG 27 14.967 -7.185 2.499 181 2HD ARG 27 HD1 ARG 27 15.929 -6.068 1.520 182 HE ARG 27 HE ARG 27 17.033 -5.629 3.859 183 1HH1 ARG 27 HH11 ARG 27 16.073 -8.705 2.483 184 2HH1 ARG 27 HH12 ARG 27 17.274 -9.619 3.352 185 1HH2 ARG 27 HH21 ARG 27 18.622 -6.779 4.962 186 2HH2 ARG 27 HH22 ARG 27 18.742 -8.508 4.761 187 H VAL 28 HN VAL 28 14.494 -2.394 0.831 188 HA VAL 28 HA VAL 28 12.848 -1.972 -1.561 189 HB VAL 28 HB VAL 28 13.466 0.391 -1.724 190 1HG1 VAL 28 HG11 VAL 28 11.323 -0.192 -0.683 191 2HG1 VAL 28 HG12 VAL 28 12.001 1.295 -0.009 192 3HG1 VAL 28 HG13 VAL 28 12.112 -0.212 0.899 193 1HG2 VAL 28 HG21 VAL 28 14.663 0.033 1.022 194 2HG2 VAL 28 HG22 VAL 28 14.500 1.567 0.151 195 3HG2 VAL 28 HG23 VAL 28 15.568 0.297 -0.479 196 H ARG 29 HN ARG 29 14.045 -1.505 -3.468 197 HA ARG 29 HA ARG 29 16.968 -1.835 -3.229 198 1HB ARG 29 HB2 ARG 29 15.947 -3.869 -4.184 199 2HB ARG 29 HB1 ARG 29 15.212 -2.894 -5.447 200 1HG ARG 29 HG2 ARG 29 17.429 -2.298 -6.296 201 2HG ARG 29 HG1 ARG 29 18.160 -3.244 -5.004 202 1HD ARG 29 HD2 ARG 29 18.197 -4.538 -7.013 203 2HD ARG 29 HD1 ARG 29 17.063 -5.268 -5.874 204 HE ARG 29 HE ARG 29 15.294 -4.053 -7.235 205 1HH1 ARG 29 HH11 ARG 29 18.332 -5.063 -8.634 206 2HH1 ARG 29 HH12 ARG 29 17.662 -5.256 -10.232 207 1HH2 ARG 29 HH21 ARG 29 14.410 -4.293 -9.318 208 2HH2 ARG 29 HH22 ARG 29 15.433 -4.836 -10.623 209 H MET 30 HN MET 30 18.204 -0.374 -4.239 210 HA MET 30 HA MET 30 16.878 1.933 -5.408 211 1HB MET 30 HB2 MET 30 18.776 2.144 -3.830 212 2HB MET 30 HB1 MET 30 19.826 1.372 -5.006 213 1HG MET 30 HG2 MET 30 20.149 3.749 -5.078 214 2HG MET 30 HG1 MET 30 19.402 3.189 -6.579 215 1HE MET 30 HE1 MET 30 19.508 6.256 -5.616 216 2HE MET 30 HE2 MET 30 17.887 6.779 -6.055 217 3HE MET 30 HE3 MET 30 18.793 5.723 -7.132 218 H LEU 31 HN LEU 31 16.610 2.335 -7.509 219 HA LEU 31 HA LEU 31 17.666 0.347 -9.374 220 1HB LEU 31 HB2 LEU 31 15.536 2.450 -9.723 221 2HB LEU 31 HB1 LEU 31 16.007 1.298 -10.963 222 HG LEU 31 HG LEU 31 14.778 0.587 -8.296 223 1HD1 LEU 31 HD11 LEU 31 12.785 0.044 -9.599 224 2HD1 LEU 31 HD12 LEU 31 13.605 0.553 -11.065 225 3HD1 LEU 31 HD13 LEU 31 13.249 1.734 -9.817 226 1HD2 LEU 31 HD21 LEU 31 16.303 -1.136 -9.135 227 2HD2 LEU 31 HD22 LEU 31 15.452 -1.127 -10.683 228 3HD2 LEU 31 HD23 LEU 31 14.622 -1.666 -9.218 229 H ASP 32 HN ASP 32 18.331 3.548 -8.440 230 HA ASP 32 HA ASP 32 19.825 3.976 -10.956 231 1HB ASP 32 HB2 ASP 32 18.201 6.002 -9.417 232 2HB ASP 32 HB1 ASP 32 19.380 6.434 -10.659 233 H ASP 33 HN ASP 33 21.610 5.539 -10.742 234 HA ASP 33 HA ASP 33 23.021 5.249 -8.229 235 1HB ASP 33 HB2 ASP 33 24.197 5.061 -10.436 236 2HB ASP 33 HB1 ASP 33 23.857 6.772 -10.693 237 H TYR 34 HN TYR 34 23.009 6.722 -6.633 238 HA TYR 34 HA TYR 34 22.292 9.485 -7.255 239 1HB TYR 34 HB2 TYR 34 20.148 8.186 -6.900 240 2HB TYR 34 HB1 TYR 34 20.688 7.876 -5.260 241 HD1 TYR 34 HD1 TYR 34 20.410 10.889 -7.461 242 HD2 TYR 34 HD2 TYR 34 19.628 9.108 -3.676 243 HE1 TYR 34 HE1 TYR 34 19.292 12.949 -6.732 244 HE2 TYR 34 HE2 TYR 34 18.545 11.174 -2.912 245 HH TYR 34 HH TYR 34 18.426 13.519 -3.446 246 H GLU 35 HN GLU 35 24.317 10.103 -6.544 247 HA GLU 35 HA GLU 35 25.872 10.790 -5.113 248 1HB GLU 35 HB2 GLU 35 23.605 10.547 -3.156 249 2HB GLU 35 HB1 GLU 35 25.136 11.311 -2.780 250 1HG GLU 35 HG2 GLU 35 23.151 12.171 -4.873 251 2HG GLU 35 HG1 GLU 35 23.499 12.992 -3.346 252 H GLU 36 HN GLU 36 24.912 9.401 -2.228 253 HA GLU 36 HA GLU 36 27.247 7.795 -2.117 254 1HB GLU 36 HB2 GLU 36 24.958 8.130 -0.181 255 2HB GLU 36 HB1 GLU 36 26.454 7.269 0.173 256 1HG GLU 36 HG2 GLU 36 27.726 9.233 0.037 257 2HG GLU 36 HG1 GLU 36 26.395 10.144 -0.672 258 H ILE 37 HN ILE 37 23.960 7.234 -2.957 259 HA ILE 37 HA ILE 37 24.183 4.366 -2.502 260 HB ILE 37 HB ILE 37 21.804 5.890 -3.546 261 1HG1 ILE 37 HG12 ILE 37 22.367 6.818 -1.392 262 2HG1 ILE 37 HG11 ILE 37 20.949 5.784 -1.217 263 1HG2 ILE 37 HG21 ILE 37 21.717 3.526 -3.976 264 2HG2 ILE 37 HG22 ILE 37 20.538 3.941 -2.735 265 3HG2 ILE 37 HG23 ILE 37 22.065 3.161 -2.290 266 1HD1 ILE 37 HD11 ILE 37 22.488 5.495 0.631 267 2HD1 ILE 37 HD12 ILE 37 23.776 5.040 -0.478 268 3HD1 ILE 37 HD13 ILE 37 22.357 4.017 -0.298 269 H SER 38 HN SER 38 24.034 2.853 -4.136 270 HA SER 38 HA SER 38 24.464 3.936 -6.860 271 1HB SER 38 HB2 SER 38 25.606 1.381 -5.669 272 2HB SER 38 HB1 SER 38 25.939 2.038 -7.274 273 HG SER 38 HG SER 38 26.522 3.981 -5.686 274 H ALA 39 HN ALA 39 23.672 2.547 -8.581 275 HA ALA 39 HA ALA 39 21.134 1.485 -8.147 276 1HB ALA 39 HB1 ALA 39 21.807 2.310 -10.324 277 2HB ALA 39 HB2 ALA 39 21.304 0.613 -10.445 278 3HB ALA 39 HB3 ALA 39 23.021 1.026 -10.449 279 H GLY 40 HN GLY 40 20.496 -0.460 -7.410 280 1HA GLY 40 HA2 GLY 40 20.737 -2.866 -7.316 281 2HA GLY 40 HA1 GLY 40 22.487 -2.630 -7.417 282 H ASP 41 HN ASP 41 21.968 -0.332 -5.331 283 HA ASP 41 HA ASP 41 22.599 -1.803 -3.033 284 1HB ASP 41 HB2 ASP 41 21.829 1.031 -3.551 285 2HB ASP 41 HB1 ASP 41 21.752 0.464 -1.882 286 H GLU 42 HN GLU 42 21.343 -2.340 -1.200 287 HA GLU 42 HA GLU 42 18.433 -2.123 -1.522 288 1HB GLU 42 HB2 GLU 42 20.044 -4.542 -0.753 289 2HB GLU 42 HB1 GLU 42 18.329 -4.394 -0.377 290 1HG GLU 42 HG2 GLU 42 17.868 -4.181 -2.803 291 2HG GLU 42 HG1 GLU 42 19.598 -4.377 -3.118 292 H GLY 43 HN GLY 43 17.218 -2.081 0.431 293 1HA GLY 43 HA2 GLY 43 18.579 -1.963 2.956 294 2HA GLY 43 HA1 GLY 43 18.128 -0.371 2.338 295 H GLU 44 HN GLU 44 16.918 -0.486 4.412 296 HA GLU 44 HA GLU 44 14.296 -1.771 4.002 297 1HB GLU 44 HB2 GLU 44 15.665 -2.793 5.848 298 2HB GLU 44 HB1 GLU 44 15.653 -1.237 6.658 299 1HG GLU 44 HG2 GLU 44 13.197 -1.334 6.772 300 2HG GLU 44 HG1 GLU 44 13.260 -2.924 6.015 301 H PHE 45 HN PHE 45 12.462 -0.536 4.549 302 HA PHE 45 HA PHE 45 12.937 2.333 4.530 303 1HB PHE 45 HB2 PHE 45 11.292 1.600 2.968 304 2HB PHE 45 HB1 PHE 45 10.450 0.646 4.196 305 HD1 PHE 45 HD1 PHE 45 11.394 4.175 3.411 306 HD2 PHE 45 HD2 PHE 45 8.599 1.512 5.194 307 HE1 PHE 45 HE1 PHE 45 9.901 6.060 3.892 308 HE2 PHE 45 HE2 PHE 45 7.094 3.407 5.683 309 HZ PHE 45 HZ PHE 45 7.750 5.685 5.012 310 H ARG 46 HN ARG 46 13.131 3.380 6.381 311 HA ARG 46 HA ARG 46 12.307 2.158 8.856 312 1HB ARG 46 HB2 ARG 46 13.784 4.691 8.185 313 2HB ARG 46 HB1 ARG 46 13.381 4.236 9.840 314 1HG ARG 46 HG2 ARG 46 14.984 2.454 8.019 315 2HG ARG 46 HG1 ARG 46 15.716 3.692 9.042 316 1HD ARG 46 HD2 ARG 46 15.844 1.680 10.257 317 2HD ARG 46 HD1 ARG 46 14.548 2.609 11.000 318 HE ARG 46 HE ARG 46 14.093 0.341 9.146 319 1HH1 ARG 46 HH11 ARG 46 13.183 2.237 11.940 320 2HH1 ARG 46 HH12 ARG 46 11.925 1.164 12.461 321 1HH2 ARG 46 HH21 ARG 46 12.518 -1.152 9.845 322 2HH2 ARG 46 HH22 ARG 46 11.545 -0.794 11.249 323 H GLN 47 HN GLN 47 11.618 5.230 7.208 324 HA GLN 47 HA GLN 47 8.942 5.367 7.994 325 1HB GLN 47 HB2 GLN 47 8.941 7.107 9.716 326 2HB GLN 47 HB1 GLN 47 9.819 5.701 10.283 327 1HG GLN 47 HG2 GLN 47 11.310 7.958 9.058 328 2HG GLN 47 HG1 GLN 47 10.720 8.099 10.712 329 1HE2 GLN 47 HE21 GLN 47 13.446 8.052 9.805 330 2HE2 GLN 47 HE22 GLN 47 14.211 6.674 10.549 331 H SER 48 HN SER 48 8.069 7.683 7.717 332 HA SER 48 HA SER 48 9.665 9.390 6.023 333 1HB SER 48 HB2 SER 48 7.898 9.323 4.191 334 2HB SER 48 HB1 SER 48 8.911 7.884 4.324 335 HG SER 48 HG SER 48 6.240 8.089 4.553 336 H ASN 49 HN ASN 49 8.062 11.254 5.206 337 HA ASN 49 HA ASN 49 6.464 11.962 7.578 338 1HB ASN 49 HB2 ASN 49 8.231 13.726 5.871 339 2HB ASN 49 HB1 ASN 49 7.163 14.313 7.136 340 1HD2 ASN 49 HD21 ASN 49 9.994 12.425 6.433 341 2HD2 ASN 49 HD22 ASN 49 10.700 12.496 8.018 342 H ASN 50 HN ASN 50 4.430 11.724 6.947 343 HA ASN 50 HA ASN 50 2.443 12.135 5.945 344 1HB ASN 50 HB2 ASN 50 3.815 14.603 4.904 345 2HB ASN 50 HB1 ASN 50 2.073 14.348 4.949 346 1HD2 ASN 50 HD21 ASN 50 1.004 14.438 6.935 347 2HD2 ASN 50 HD22 ASN 50 1.727 15.145 8.336 348 H GLY 51 HN GLY 51 3.899 13.831 3.304 349 1HA GLY 51 HA2 GLY 51 4.015 11.450 1.620 350 2HA GLY 51 HA1 GLY 51 2.797 12.650 1.194 351 H VAL 52 HN VAL 52 6.017 13.159 2.465 352 HA VAL 52 HA VAL 52 6.484 15.147 0.393 353 HB VAL 52 HB VAL 52 8.542 15.671 1.593 354 1HG1 VAL 52 HG11 VAL 52 7.521 16.509 3.652 355 2HG1 VAL 52 HG12 VAL 52 6.155 15.409 3.414 356 3HG1 VAL 52 HG13 VAL 52 6.444 16.717 2.275 357 1HG2 VAL 52 HG21 VAL 52 9.146 13.454 2.376 358 2HG2 VAL 52 HG22 VAL 52 7.752 13.449 3.462 359 3HG2 VAL 52 HG23 VAL 52 9.080 14.593 3.713 360 HA PRO 53 HA PRO 53 8.750 12.744 -2.522 361 1HB PRO 53 HB2 PRO 53 10.735 14.922 -2.552 362 2HB PRO 53 HB1 PRO 53 9.782 14.251 -3.869 363 1HG PRO 53 HG2 PRO 53 9.308 16.660 -2.668 364 2HG PRO 53 HG1 PRO 53 8.100 15.739 -3.573 365 1HD PRO 53 HD2 PRO 53 8.302 16.238 -0.707 366 2HD PRO 53 HD1 PRO 53 6.944 15.602 -1.641 367 HA PRO 54 HA PRO 54 12.997 12.468 -0.226 368 1HB PRO 54 HB2 PRO 54 13.099 13.612 2.243 369 2HB PRO 54 HB1 PRO 54 13.679 14.401 0.778 370 1HG PRO 54 HG2 PRO 54 11.079 14.740 2.190 371 2HG PRO 54 HG1 PRO 54 12.142 15.987 1.501 372 1HD PRO 54 HD2 PRO 54 9.942 15.151 0.207 373 2HD PRO 54 HD1 PRO 54 11.425 15.557 -0.663 374 H VAL 55 HN VAL 55 13.303 10.622 0.819 375 HA VAL 55 HA VAL 55 11.273 9.710 2.728 376 HB VAL 55 HB VAL 55 10.736 8.648 0.594 377 1HG1 VAL 55 HG11 VAL 55 13.551 7.596 0.630 378 2HG1 VAL 55 HG12 VAL 55 12.883 8.776 -0.495 379 3HG1 VAL 55 HG13 VAL 55 12.286 7.121 -0.510 380 1HG2 VAL 55 HG21 VAL 55 10.336 7.317 2.566 381 2HG2 VAL 55 HG22 VAL 55 11.995 6.751 2.562 382 3HG2 VAL 55 HG23 VAL 55 10.912 6.267 1.258 383 H GLN 56 HN GLN 56 12.063 8.433 4.423 384 HA GLN 56 HA GLN 56 14.980 8.586 4.706 385 1HB GLN 56 HB2 GLN 56 13.549 9.571 6.496 386 2HB GLN 56 HB1 GLN 56 12.873 7.976 6.796 387 1HG GLN 56 HG2 GLN 56 14.519 8.322 8.436 388 2HG GLN 56 HG1 GLN 56 15.190 7.181 7.291 389 1HE2 GLN 56 HE21 GLN 56 16.855 7.853 5.901 390 2HE2 GLN 56 HE22 GLN 56 17.779 9.292 6.211 391 H VAL 57 HN VAL 57 15.974 6.830 3.964 392 HA VAL 57 HA VAL 57 14.807 4.196 4.512 393 HB VAL 57 HB VAL 57 16.365 5.057 2.074 394 1HG1 VAL 57 HG11 VAL 57 15.227 2.360 2.779 395 2HG1 VAL 57 HG12 VAL 57 16.945 2.783 2.679 396 3HG1 VAL 57 HG13 VAL 57 15.945 2.803 1.227 397 1HG2 VAL 57 HG21 VAL 57 14.052 5.830 2.082 398 2HG2 VAL 57 HG22 VAL 57 13.510 4.174 2.369 399 3HG2 VAL 57 HG23 VAL 57 14.327 4.588 0.862 400 H PHE 58 HN PHE 58 16.126 2.689 5.394 401 HA PHE 58 HA PHE 58 18.864 3.492 5.979 402 1HB PHE 58 HB2 PHE 58 17.582 2.616 7.863 403 2HB PHE 58 HB1 PHE 58 17.217 1.136 6.960 404 HD1 PHE 58 HD1 PHE 58 20.138 3.124 8.189 405 HD2 PHE 58 HD2 PHE 58 18.544 -0.711 7.273 406 HE1 PHE 58 HE1 PHE 58 22.160 2.063 9.089 407 HE2 PHE 58 HE2 PHE 58 20.562 -1.780 8.166 408 HZ PHE 58 HZ PHE 58 22.383 -0.378 9.075 409 H TRP 59 HN TRP 59 20.339 2.980 4.570 410 HA TRP 59 HA TRP 59 19.826 0.773 2.710 411 1HB TRP 59 HB2 TRP 59 21.926 2.936 2.720 412 2HB TRP 59 HB1 TRP 59 21.817 1.669 1.487 413 HD1 TRP 59 HD1 TRP 59 20.413 5.041 2.419 414 HE1 TRP 59 HE1 TRP 59 18.607 5.726 0.707 415 HE3 TRP 59 HE3 TRP 59 19.894 0.593 -0.071 416 HZ2 TRP 59 HZ2 TRP 59 17.156 4.545 -1.367 417 HZ3 TRP 59 HZ3 TRP 59 18.265 0.462 -1.913 418 HH2 TRP 59 HH2 TRP 59 16.915 2.405 -2.538 419 H GLU 60 HN GLU 60 20.561 -1.134 3.175 420 HA GLU 60 HA GLU 60 22.130 -1.518 5.520 421 1HB GLU 60 HB2 GLU 60 20.968 -3.538 3.594 422 2HB GLU 60 HB1 GLU 60 21.705 -3.918 5.158 423 1HG GLU 60 HG2 GLU 60 19.961 -2.637 6.283 424 2HG GLU 60 HG1 GLU 60 19.251 -2.217 4.727 425 H SER 61 HN SER 61 22.649 -1.787 2.096 426 HA SER 61 HA SER 61 25.083 -3.191 2.167 427 1HB SER 61 HB2 SER 61 25.368 -2.098 -0.131 428 2HB SER 61 HB1 SER 61 23.985 -3.176 0.093 429 HG SER 61 HG SER 61 23.865 -0.778 -0.800 430 H THR 62 HN THR 62 24.285 0.230 2.332 431 HA THR 62 HA THR 62 27.053 1.030 2.459 432 HB THR 62 HB THR 62 24.938 2.881 3.372 433 HG1 THR 62 HG1 THR 62 25.083 2.466 0.588 434 1HG2 THR 62 HG21 THR 62 26.117 4.430 1.909 435 2HG2 THR 62 HG22 THR 62 27.132 3.112 1.307 436 3HG2 THR 62 HG23 THR 62 27.246 3.623 2.993 437 H GLY 63 HN GLY 63 24.251 1.074 4.626 438 1HA GLY 63 HA2 GLY 63 24.410 0.048 6.822 439 2HA GLY 63 HA1 GLY 63 26.091 0.617 6.906 440 H ARG 64 HN ARG 64 23.968 2.874 5.553 441 HA ARG 64 HA ARG 64 23.504 4.207 8.126 442 1HB ARG 64 HB2 ARG 64 24.839 5.453 5.718 443 2HB ARG 64 HB1 ARG 64 24.093 6.415 6.995 444 1HG ARG 64 HG2 ARG 64 26.220 6.403 7.764 445 2HG ARG 64 HG1 ARG 64 25.691 4.875 8.484 446 1HD ARG 64 HD2 ARG 64 27.833 4.560 7.434 447 2HD ARG 64 HD1 ARG 64 26.600 3.694 6.505 448 HE ARG 64 HE ARG 64 26.833 6.196 5.324 449 1HH1 ARG 64 HH11 ARG 64 28.971 3.505 6.011 450 2HH1 ARG 64 HH12 ARG 64 29.959 3.780 4.604 451 1HH2 ARG 64 HH21 ARG 64 28.134 6.564 3.493 452 2HH2 ARG 64 HH22 ARG 64 29.495 5.528 3.188 453 H THR 65 HN THR 65 21.908 5.962 7.958 454 HA THR 65 HA THR 65 19.797 5.242 6.106 455 HB THR 65 HB THR 65 18.655 7.233 7.382 456 HG1 THR 65 HG1 THR 65 19.848 8.070 8.910 457 1HG2 THR 65 HG21 THR 65 18.016 4.898 7.603 458 2HG2 THR 65 HG22 THR 65 17.961 5.694 9.164 459 3HG2 THR 65 HG23 THR 65 19.312 4.625 8.763 460 H TYR 66 HN TYR 66 18.835 6.706 4.658 461 HA TYR 66 HA TYR 66 20.219 9.221 4.135 462 1HB TYR 66 HB2 TYR 66 21.518 7.573 2.847 463 2HB TYR 66 HB1 TYR 66 20.036 7.044 2.037 464 HD1 TYR 66 HD1 TYR 66 21.768 10.292 2.703 465 HD2 TYR 66 HD2 TYR 66 19.829 7.792 -0.126 466 HE1 TYR 66 HE1 TYR 66 22.119 11.995 0.956 467 HE2 TYR 66 HE2 TYR 66 20.164 9.476 -1.885 468 HH TYR 66 HH TYR 66 20.534 11.953 -1.998 469 H TRP 67 HN TRP 67 18.999 10.698 2.965 470 HA TRP 67 HA TRP 67 16.172 10.050 2.721 471 1HB TRP 67 HB2 TRP 67 17.624 12.690 2.299 472 2HB TRP 67 HB1 TRP 67 15.880 12.469 2.390 473 HD1 TRP 67 HD1 TRP 67 14.781 12.380 4.760 474 HE1 TRP 67 HE1 TRP 67 15.657 12.769 7.154 475 HE3 TRP 67 HE3 TRP 67 19.808 12.346 3.785 476 HZ2 TRP 67 HZ2 TRP 67 18.146 12.985 8.451 477 HZ3 TRP 67 HZ3 TRP 67 21.365 12.648 5.676 478 HH2 TRP 67 HH2 TRP 67 20.552 12.967 7.945 479 H VAL 68 HN VAL 68 15.521 9.248 0.810 480 HA VAL 68 HA VAL 68 16.923 10.074 -1.644 481 HB VAL 68 HB VAL 68 15.159 7.650 -1.444 482 1HG1 VAL 68 HG11 VAL 68 17.585 8.358 -3.101 483 2HG1 VAL 68 HG12 VAL 68 15.898 8.225 -3.646 484 3HG1 VAL 68 HG13 VAL 68 16.784 6.782 -3.134 485 1HG2 VAL 68 HG21 VAL 68 18.063 7.656 -0.635 486 2HG2 VAL 68 HG22 VAL 68 17.026 6.241 -0.786 487 3HG2 VAL 68 HG23 VAL 68 16.693 7.454 0.453 488 H HIS 69 HN HIS 69 15.232 9.837 -3.594 489 HA HIS 69 HA HIS 69 12.643 10.909 -2.706 490 1HB HIS 69 HB2 HIS 69 13.991 10.898 -5.413 491 2HB HIS 69 HB1 HIS 69 12.318 11.380 -5.179 492 HD1 HIS 69 HD1 HIS 69 12.009 13.794 -4.909 493 HD2 HIS 69 HD2 HIS 69 15.783 12.593 -3.695 494 HE1 HIS 69 HE1 HIS 69 13.179 15.890 -4.192 495 HE2 HIS 69 HE2 HIS 69 15.518 15.169 -3.566 496 H TRP 70 HN TRP 70 10.785 9.778 -3.009 497 HA TRP 70 HA TRP 70 10.774 7.096 -2.803 498 1HB TRP 70 HB2 TRP 70 8.626 8.849 -3.985 499 2HB TRP 70 HB1 TRP 70 8.388 7.136 -3.607 500 HD1 TRP 70 HD1 TRP 70 8.674 10.570 -2.007 501 HE1 TRP 70 HE1 TRP 70 8.006 10.409 0.470 502 HE3 TRP 70 HE3 TRP 70 8.349 5.490 -1.590 503 HZ2 TRP 70 HZ2 TRP 70 7.417 8.414 2.332 504 HZ3 TRP 70 HZ3 TRP 70 7.705 4.517 0.576 505 HH2 TRP 70 HH2 TRP 70 7.247 5.965 2.508 506 H HIS 71 HN HIS 71 10.511 8.813 -5.915 507 HA HIS 71 HA HIS 71 9.858 6.377 -7.294 508 1HB HIS 71 HB2 HIS 71 9.796 7.654 -9.302 509 2HB HIS 71 HB1 HIS 71 9.091 8.639 -8.045 510 HD1 HIS 71 HD1 HIS 71 9.747 10.996 -8.265 511 HD2 HIS 71 HD2 HIS 71 12.753 8.446 -9.618 512 HE1 HIS 71 HE1 HIS 71 11.578 12.487 -9.094 513 HE2 HIS 71 HE2 HIS 71 13.291 10.919 -10.114 514 H MET 72 HN MET 72 12.761 7.304 -6.026 515 HA MET 72 HA MET 72 14.410 6.443 -8.240 516 1HB MET 72 HB2 MET 72 14.952 7.285 -5.406 517 2HB MET 72 HB1 MET 72 16.224 6.568 -6.387 518 1HG MET 72 HG2 MET 72 14.680 9.057 -7.083 519 2HG MET 72 HG1 MET 72 16.301 9.007 -6.394 520 1HE MET 72 HE1 MET 72 17.286 10.093 -9.964 521 2HE MET 72 HE2 MET 72 17.572 10.310 -8.240 522 3HE MET 72 HE3 MET 72 16.002 10.694 -8.921 523 H LEU 73 HN LEU 73 12.806 4.963 -5.598 524 HA LEU 73 HA LEU 73 14.620 2.661 -5.714 525 1HB LEU 73 HB2 LEU 73 13.747 2.141 -3.406 526 2HB LEU 73 HB1 LEU 73 14.772 3.559 -3.549 527 HG LEU 73 HG LEU 73 12.482 4.840 -3.720 528 1HD1 LEU 73 HD11 LEU 73 11.075 2.813 -3.807 529 2HD1 LEU 73 HD12 LEU 73 10.696 3.840 -2.429 530 3HD1 LEU 73 HD13 LEU 73 11.634 2.369 -2.192 531 1HD2 LEU 73 HD21 LEU 73 12.538 5.154 -1.313 532 2HD2 LEU 73 HD22 LEU 73 14.173 5.106 -1.973 533 3HD2 LEU 73 HD23 LEU 73 13.520 3.704 -1.126 534 H GLU 74 HN GLU 74 13.810 0.614 -5.668 535 HA GLU 74 HA GLU 74 11.045 0.264 -6.621 536 1HB GLU 74 HB2 GLU 74 12.789 -0.708 -8.000 537 2HB GLU 74 HB1 GLU 74 13.462 -1.561 -6.623 538 1HG GLU 74 HG2 GLU 74 11.443 -2.917 -6.454 539 2HG GLU 74 HG1 GLU 74 10.744 -2.050 -7.822 540 H ILE 75 HN ILE 75 9.610 -0.992 -5.491 541 HA ILE 75 HA ILE 75 10.193 -1.281 -2.681 542 HB ILE 75 HB ILE 75 7.819 -2.015 -2.458 543 1HG1 ILE 75 HG12 ILE 75 7.604 -1.278 -5.393 544 2HG1 ILE 75 HG11 ILE 75 7.643 -2.940 -4.801 545 1HG2 ILE 75 HG21 ILE 75 6.862 0.184 -2.934 546 2HG2 ILE 75 HG22 ILE 75 8.288 0.598 -3.879 547 3HG2 ILE 75 HG23 ILE 75 8.431 0.301 -2.138 548 1HD1 ILE 75 HD11 ILE 75 5.375 -2.250 -5.250 549 2HD1 ILE 75 HD12 ILE 75 5.554 -0.870 -4.162 550 3HD1 ILE 75 HD13 ILE 75 5.603 -2.511 -3.513 551 H LEU 76 HN LEU 76 11.226 -2.995 -1.956 552 HA LEU 76 HA LEU 76 11.298 -5.396 -3.560 553 1HB LEU 76 HB2 LEU 76 13.322 -4.391 -2.484 554 2HB LEU 76 HB1 LEU 76 12.636 -4.796 -0.923 555 HG LEU 76 HG LEU 76 12.751 -7.194 -1.492 556 1HD1 LEU 76 HD11 LEU 76 14.139 -6.267 -4.020 557 2HD1 LEU 76 HD12 LEU 76 12.543 -7.026 -3.925 558 3HD1 LEU 76 HD13 LEU 76 13.966 -7.943 -3.463 559 1HD2 LEU 76 HD21 LEU 76 15.176 -7.418 -1.364 560 2HD2 LEU 76 HD22 LEU 76 14.585 -6.137 -0.301 561 3HD2 LEU 76 HD23 LEU 76 15.341 -5.728 -1.835 562 H GLY 77 HN GLY 77 10.008 -4.333 -0.472 563 1HA GLY 77 HA2 GLY 77 7.919 -5.213 0.296 564 2HA GLY 77 HA1 GLY 77 8.272 -6.709 -0.520 565 H PHE 78 HN PHE 78 7.407 -7.274 1.744 566 HA PHE 78 HA PHE 78 9.472 -8.455 3.255 567 1HB PHE 78 HB2 PHE 78 9.500 -5.876 3.895 568 2HB PHE 78 HB1 PHE 78 8.130 -6.349 4.910 569 HD1 PHE 78 HD1 PHE 78 9.155 -5.981 7.006 570 HD2 PHE 78 HD2 PHE 78 11.012 -8.506 4.139 571 HE1 PHE 78 HE1 PHE 78 10.749 -6.740 8.715 572 HE2 PHE 78 HE2 PHE 78 12.601 -9.277 5.844 573 HZ PHE 78 HZ PHE 78 12.479 -8.391 8.138 574 H GLU 79 HN GLU 79 8.598 -10.083 4.456 575 HA GLU 79 HA GLU 79 5.789 -10.545 4.249 576 1HB GLU 79 HB2 GLU 79 6.330 -12.511 5.737 577 2HB GLU 79 HB1 GLU 79 7.225 -12.454 4.224 578 1HG GLU 79 HG2 GLU 79 9.185 -11.616 5.366 579 2HG GLU 79 HG1 GLU 79 8.294 -11.548 6.894 580 H GLU 80 HN GLU 80 5.695 -8.242 5.335 581 HA GLU 80 HA GLU 80 4.710 -7.034 6.963 582 1HB GLU 80 HB2 GLU 80 3.327 -9.040 7.354 583 2HB GLU 80 HB1 GLU 80 4.528 -9.628 8.480 584 1HG GLU 80 HG2 GLU 80 4.097 -7.619 9.896 585 2HG GLU 80 HG1 GLU 80 2.779 -7.198 8.792 Start of MODEL 4 1 H MET 4 HN MET 4 8.977 2.118 -16.343 2 HA MET 4 HA MET 4 11.127 3.839 -15.277 3 1HB MET 4 HB2 MET 4 11.165 3.597 -17.795 4 2HB MET 4 HB1 MET 4 9.566 4.349 -17.842 5 1HG MET 4 HG2 MET 4 10.465 6.385 -16.948 6 2HG MET 4 HG1 MET 4 12.046 5.620 -16.695 7 1HE MET 4 HE1 MET 4 11.770 8.374 -18.282 8 2HE MET 4 HE2 MET 4 12.911 8.038 -19.579 9 3HE MET 4 HE3 MET 4 13.263 7.497 -17.931 10 H ARG 5 HN ARG 5 10.401 5.965 -14.592 11 HA ARG 5 HA ARG 5 8.043 5.710 -13.033 12 1HB ARG 5 HB2 ARG 5 9.911 7.981 -13.612 13 2HB ARG 5 HB1 ARG 5 8.450 8.252 -12.681 14 1HG ARG 5 HG2 ARG 5 10.300 7.956 -11.199 15 2HG ARG 5 HG1 ARG 5 9.228 6.577 -11.048 16 1HD ARG 5 HD2 ARG 5 11.473 6.362 -12.976 17 2HD ARG 5 HD1 ARG 5 11.856 6.299 -11.256 18 HE ARG 5 HE ARG 5 9.760 4.550 -11.681 19 1HH1 ARG 5 HH11 ARG 5 13.121 4.860 -12.628 20 2HH1 ARG 5 HH12 ARG 5 13.353 3.141 -12.797 21 1HH2 ARG 5 HH21 ARG 5 10.066 2.283 -11.854 22 2HH2 ARG 5 HH22 ARG 5 11.626 1.678 -12.328 23 H SER 6 HN SER 6 8.791 7.576 -15.940 24 HA SER 6 HA SER 6 6.287 8.932 -15.981 25 1HB SER 6 HB2 SER 6 7.234 9.454 -18.395 26 2HB SER 6 HB1 SER 6 7.954 10.187 -16.964 27 HG SER 6 HG SER 6 9.215 8.794 -18.729 28 H GLU 7 HN GLU 7 6.857 5.790 -16.517 29 HA GLU 7 HA GLU 7 5.256 5.416 -18.907 30 1HB GLU 7 HB2 GLU 7 6.305 3.499 -16.818 31 2HB GLU 7 HB1 GLU 7 5.293 2.985 -18.154 32 1HG GLU 7 HG2 GLU 7 7.949 4.363 -18.458 33 2HG GLU 7 HG1 GLU 7 7.693 2.622 -18.581 34 H PHE 8 HN PHE 8 4.692 5.866 -15.560 35 HA PHE 8 HA PHE 8 2.072 4.695 -15.529 36 1HB PHE 8 HB2 PHE 8 3.523 6.504 -13.599 37 2HB PHE 8 HB1 PHE 8 1.890 5.910 -13.314 38 HD1 PHE 8 HD1 PHE 8 5.385 4.774 -13.927 39 HD2 PHE 8 HD2 PHE 8 1.541 3.825 -12.347 40 HE1 PHE 8 HE1 PHE 8 6.300 2.733 -12.948 41 HE2 PHE 8 HE2 PHE 8 2.462 1.771 -11.356 42 HZ PHE 8 HZ PHE 8 4.844 1.217 -11.660 43 H ALA 9 HN ALA 9 0.159 6.078 -14.846 44 HA ALA 9 HA ALA 9 -0.584 7.673 -16.955 45 1HB ALA 9 HB1 ALA 9 -2.144 6.658 -15.360 46 2HB ALA 9 HB2 ALA 9 -2.489 8.356 -15.660 47 3HB ALA 9 HB3 ALA 9 -1.679 7.871 -14.162 48 H SER 10 HN SER 10 0.658 8.800 -13.833 49 HA SER 10 HA SER 10 0.926 11.470 -14.998 50 1HB SER 10 HB2 SER 10 -0.720 11.326 -13.158 51 2HB SER 10 HB1 SER 10 0.551 10.707 -12.106 52 HG SER 10 HG SER 10 0.858 13.171 -13.443 53 H GLY 11 HN GLY 11 2.699 8.828 -14.331 54 1HA GLY 11 HA2 GLY 11 4.991 8.482 -14.122 55 2HA GLY 11 HA1 GLY 11 5.210 10.235 -14.104 56 H ASN 12 HN ASN 12 4.034 11.154 -11.994 57 HA ASN 12 HA ASN 12 5.488 10.409 -9.720 58 1HB ASN 12 HB2 ASN 12 2.800 11.781 -9.808 59 2HB ASN 12 HB1 ASN 12 3.918 11.795 -8.450 60 1HD2 ASN 12 HD21 ASN 12 4.141 13.988 -8.419 61 2HD2 ASN 12 HD22 ASN 12 4.965 14.879 -9.642 62 H THR 13 HN THR 13 2.642 9.138 -11.107 63 HA THR 13 HA THR 13 1.242 7.963 -9.060 64 HB THR 13 HB THR 13 1.716 6.521 -11.661 65 HG1 THR 13 HG1 THR 13 0.298 8.943 -11.129 66 1HG2 THR 13 HG21 THR 13 0.263 5.444 -10.016 67 2HG2 THR 13 HG22 THR 13 -0.670 5.991 -11.419 68 3HG2 THR 13 HG23 THR 13 -0.709 6.899 -9.891 69 H TYR 14 HN TYR 14 4.285 6.914 -10.483 70 HA TYR 14 HA TYR 14 4.397 4.336 -9.380 71 1HB TYR 14 HB2 TYR 14 5.917 5.063 -11.137 72 2HB TYR 14 HB1 TYR 14 6.631 6.265 -10.074 73 HD1 TYR 14 HD1 TYR 14 6.030 2.586 -10.297 74 HD2 TYR 14 HD2 TYR 14 8.563 5.722 -8.925 75 HE1 TYR 14 HE1 TYR 14 7.686 0.927 -9.555 76 HE2 TYR 14 HE2 TYR 14 10.202 4.066 -8.146 77 HH TYR 14 HH TYR 14 10.353 1.777 -7.554 78 H ALA 15 HN ALA 15 5.815 7.375 -8.250 79 HA ALA 15 HA ALA 15 6.704 6.463 -5.755 80 1HB ALA 15 HB1 ALA 15 5.887 9.267 -6.496 81 2HB ALA 15 HB2 ALA 15 7.468 8.550 -6.801 82 3HB ALA 15 HB3 ALA 15 6.922 8.802 -5.139 83 H LEU 16 HN LEU 16 3.622 7.589 -6.853 84 HA LEU 16 HA LEU 16 2.492 8.045 -4.288 85 1HB LEU 16 HB2 LEU 16 1.638 9.127 -6.359 86 2HB LEU 16 HB1 LEU 16 1.126 7.566 -6.950 87 HG LEU 16 HG LEU 16 -0.477 7.393 -5.062 88 1HD1 LEU 16 HD11 LEU 16 -0.946 9.347 -3.705 89 2HD1 LEU 16 HD12 LEU 16 0.393 10.220 -4.453 90 3HD1 LEU 16 HD13 LEU 16 0.716 8.809 -3.443 91 1HD2 LEU 16 HD21 LEU 16 -0.718 9.907 -6.740 92 2HD2 LEU 16 HD22 LEU 16 -2.050 9.118 -5.894 93 3HD2 LEU 16 HD23 LEU 16 -1.221 8.271 -7.196 94 H TYR 17 HN TYR 17 2.521 5.396 -6.605 95 HA TYR 17 HA TYR 17 0.742 3.696 -5.258 96 1HB TYR 17 HB2 TYR 17 1.370 3.377 -7.613 97 2HB TYR 17 HB1 TYR 17 3.031 2.993 -7.126 98 HD1 TYR 17 HD1 TYR 17 3.517 0.872 -5.942 99 HD2 TYR 17 HD2 TYR 17 -0.362 1.736 -7.472 100 HE1 TYR 17 HE1 TYR 17 2.930 -1.503 -5.765 101 HE2 TYR 17 HE2 TYR 17 -0.952 -0.664 -7.306 102 HH TYR 17 HH TYR 17 0.701 -2.829 -5.476 103 H VAL 18 HN VAL 18 4.282 3.789 -5.303 104 HA VAL 18 HA VAL 18 4.652 1.662 -3.541 105 HB VAL 18 HB VAL 18 6.967 2.495 -3.206 106 1HG1 VAL 18 HG11 VAL 18 7.648 2.285 -5.553 107 2HG1 VAL 18 HG12 VAL 18 5.983 2.524 -6.056 108 3HG1 VAL 18 HG13 VAL 18 6.422 1.095 -5.124 109 1HG2 VAL 18 HG21 VAL 18 6.079 4.804 -4.931 110 2HG2 VAL 18 HG22 VAL 18 7.725 4.455 -4.406 111 3HG2 VAL 18 HG23 VAL 18 6.495 4.898 -3.220 112 H ARG 19 HN ARG 19 4.243 5.105 -2.860 113 HA ARG 19 HA ARG 19 4.928 5.104 -0.183 114 1HB ARG 19 HB2 ARG 19 4.273 7.051 -1.740 115 2HB ARG 19 HB1 ARG 19 2.619 6.729 -1.229 116 1HG ARG 19 HG2 ARG 19 4.419 6.934 1.032 117 2HG ARG 19 HG1 ARG 19 4.485 8.376 0.022 118 1HD ARG 19 HD2 ARG 19 2.809 8.812 1.598 119 2HD ARG 19 HD1 ARG 19 1.942 8.363 0.124 120 HE ARG 19 HE ARG 19 2.250 6.038 1.573 121 1HH1 ARG 19 HH11 ARG 19 0.685 9.136 1.993 122 2HH1 ARG 19 HH12 ARG 19 -0.556 8.507 3.047 123 1HH2 ARG 19 HH21 ARG 19 0.655 5.193 2.933 124 2HH2 ARG 19 HH22 ARG 19 -0.584 6.236 3.583 125 H ASP 20 HN ASP 20 2.090 3.872 -1.753 126 HA ASP 20 HA ASP 20 0.428 3.775 0.565 127 1HB ASP 20 HB2 ASP 20 -0.727 3.888 -1.464 128 2HB ASP 20 HB1 ASP 20 0.244 2.611 -2.192 129 H THR 21 HN THR 21 2.219 1.337 -1.258 130 HA THR 21 HA THR 21 1.376 -0.740 0.558 131 HB THR 21 HB THR 21 3.283 -0.954 -1.774 132 HG1 THR 21 HG1 THR 21 0.598 -0.524 -1.685 133 1HG2 THR 21 HG21 THR 21 3.331 -2.852 -0.210 134 2HG2 THR 21 HG22 THR 21 2.627 -3.314 -1.766 135 3HG2 THR 21 HG23 THR 21 1.588 -3.021 -0.372 136 H LEU 22 HN LEU 22 4.256 1.152 -0.068 137 HA LEU 22 HA LEU 22 6.090 -0.554 1.243 138 1HB LEU 22 HB2 LEU 22 6.709 1.213 -0.408 139 2HB LEU 22 HB1 LEU 22 6.286 2.427 0.765 140 HG LEU 22 HG LEU 22 8.087 1.642 2.245 141 1HD1 LEU 22 HD11 LEU 22 8.725 -0.232 -0.026 142 2HD1 LEU 22 HD12 LEU 22 8.129 -0.686 1.571 143 3HD1 LEU 22 HD13 LEU 22 9.708 0.050 1.414 144 1HD2 LEU 22 HD21 LEU 22 9.934 2.444 0.876 145 2HD2 LEU 22 HD22 LEU 22 8.505 3.447 0.677 146 3HD2 LEU 22 HD23 LEU 22 8.946 2.281 -0.575 147 H GLN 23 HN GLN 23 5.426 -1.113 3.249 148 HA GLN 23 HA GLN 23 4.868 0.922 5.240 149 1HB GLN 23 HB2 GLN 23 4.809 -2.092 5.303 150 2HB GLN 23 HB1 GLN 23 4.490 -1.098 6.709 151 1HG GLN 23 HG2 GLN 23 2.594 -0.061 5.460 152 2HG GLN 23 HG1 GLN 23 2.890 -1.239 4.168 153 1HE2 GLN 23 HE21 GLN 23 3.668 -3.264 6.179 154 2HE2 GLN 23 HE22 GLN 23 2.182 -3.863 6.844 155 HA PRO 24 HA PRO 24 8.852 0.795 7.237 156 1HB PRO 24 HB2 PRO 24 7.608 0.034 9.803 157 2HB PRO 24 HB1 PRO 24 8.524 1.504 9.390 158 1HG PRO 24 HG2 PRO 24 5.859 1.550 9.784 159 2HG PRO 24 HG1 PRO 24 6.646 2.589 8.575 160 1HD PRO 24 HD2 PRO 24 5.113 0.042 8.191 161 2HD PRO 24 HD1 PRO 24 5.112 1.519 7.201 162 H GLY 25 HN GLY 25 10.366 -0.730 7.265 163 1HA GLY 25 HA2 GLY 25 11.322 -2.798 7.963 164 2HA GLY 25 HA1 GLY 25 9.692 -3.400 8.256 165 H MET 26 HN MET 26 9.251 -1.985 5.456 166 HA MET 26 HA MET 26 9.567 -4.437 3.976 167 1HB MET 26 HB2 MET 26 7.491 -3.177 3.728 168 2HB MET 26 HB1 MET 26 8.392 -1.780 3.159 169 1HG MET 26 HG2 MET 26 9.017 -2.950 1.164 170 2HG MET 26 HG1 MET 26 8.309 -4.456 1.767 171 1HE MET 26 HE1 MET 26 5.731 -4.933 1.916 172 2HE MET 26 HE2 MET 26 4.511 -3.702 1.665 173 3HE MET 26 HE3 MET 26 5.605 -3.561 3.028 174 H ARG 27 HN ARG 27 11.012 -4.850 2.454 175 HA ARG 27 HA ARG 27 13.324 -3.121 2.359 176 1HB ARG 27 HB2 ARG 27 12.846 -5.827 1.083 177 2HB ARG 27 HB1 ARG 27 14.369 -4.954 1.054 178 1HG ARG 27 HG2 ARG 27 14.389 -4.964 3.549 179 2HG ARG 27 HG1 ARG 27 12.948 -5.987 3.486 180 1HD ARG 27 HD2 ARG 27 15.684 -6.613 2.388 181 2HD ARG 27 HD1 ARG 27 14.901 -7.368 3.779 182 HE ARG 27 HE ARG 27 13.170 -8.051 1.953 183 1HH1 ARG 27 HH11 ARG 27 16.646 -7.863 1.581 184 2HH1 ARG 27 HH12 ARG 27 16.738 -9.163 0.411 185 1HH2 ARG 27 HH21 ARG 27 13.262 -9.764 0.420 186 2HH2 ARG 27 HH22 ARG 27 14.810 -10.253 -0.226 187 H VAL 28 HN VAL 28 14.319 -2.325 0.586 188 HA VAL 28 HA VAL 28 12.688 -2.024 -1.874 189 HB VAL 28 HB VAL 28 13.340 0.368 -1.955 190 1HG1 VAL 28 HG11 VAL 28 11.819 1.196 -0.287 191 2HG1 VAL 28 HG12 VAL 28 11.944 -0.312 0.616 192 3HG1 VAL 28 HG13 VAL 28 11.176 -0.304 -0.971 193 1HG2 VAL 28 HG21 VAL 28 14.406 -0.122 0.811 194 2HG2 VAL 28 HG22 VAL 28 14.284 1.452 0.012 195 3HG2 VAL 28 HG23 VAL 28 15.373 0.221 -0.631 196 H ARG 29 HN ARG 29 13.930 -1.430 -3.760 197 HA ARG 29 HA ARG 29 16.847 -1.853 -3.472 198 1HB ARG 29 HB2 ARG 29 15.767 -3.710 -4.684 199 2HB ARG 29 HB1 ARG 29 15.128 -2.555 -5.863 200 1HG ARG 29 HG2 ARG 29 17.322 -2.012 -6.619 201 2HG ARG 29 HG1 ARG 29 18.056 -2.928 -5.314 202 1HD ARG 29 HD2 ARG 29 18.240 -4.207 -7.322 203 2HD ARG 29 HD1 ARG 29 17.036 -4.984 -6.278 204 HE ARG 29 HE ARG 29 15.325 -3.863 -7.729 205 1HH1 ARG 29 HH11 ARG 29 18.559 -4.504 -8.964 206 2HH1 ARG 29 HH12 ARG 29 18.036 -4.545 -10.627 207 1HH2 ARG 29 HH21 ARG 29 14.652 -3.937 -9.917 208 2HH2 ARG 29 HH22 ARG 29 15.822 -4.266 -11.157 209 H MET 30 HN MET 30 18.123 -0.289 -4.119 210 HA MET 30 HA MET 30 17.055 2.171 -5.122 211 1HB MET 30 HB2 MET 30 18.962 2.027 -3.518 212 2HB MET 30 HB1 MET 30 19.954 1.361 -4.818 213 1HG MET 30 HG2 MET 30 20.426 3.698 -4.577 214 2HG MET 30 HG1 MET 30 19.599 3.423 -6.106 215 1HE MET 30 HE1 MET 30 19.398 6.160 -6.015 216 2HE MET 30 HE2 MET 30 20.052 6.194 -4.379 217 3HE MET 30 HE3 MET 30 18.532 7.022 -4.735 218 H LEU 31 HN LEU 31 16.703 2.661 -7.205 219 HA LEU 31 HA LEU 31 17.693 0.782 -9.209 220 1HB LEU 31 HB2 LEU 31 15.699 3.043 -9.397 221 2HB LEU 31 HB1 LEU 31 16.102 1.971 -10.733 222 HG LEU 31 HG LEU 31 14.882 1.104 -8.118 223 1HD1 LEU 31 HD11 LEU 31 12.881 0.711 -9.421 224 2HD1 LEU 31 HD12 LEU 31 13.671 1.349 -10.857 225 3HD1 LEU 31 HD13 LEU 31 13.342 2.412 -9.489 226 1HD2 LEU 31 HD21 LEU 31 14.628 -1.066 -9.213 227 2HD2 LEU 31 HD22 LEU 31 16.328 -0.599 -9.135 228 3HD2 LEU 31 HD23 LEU 31 15.440 -0.449 -10.661 229 H ASP 32 HN ASP 32 18.787 3.778 -8.058 230 HA ASP 32 HA ASP 32 20.379 4.123 -10.463 231 1HB ASP 32 HB2 ASP 32 18.304 5.498 -10.738 232 2HB ASP 32 HB1 ASP 32 18.762 6.402 -9.302 233 H ASP 33 HN ASP 33 22.275 5.467 -10.124 234 HA ASP 33 HA ASP 33 23.177 5.426 -7.347 235 1HB ASP 33 HB2 ASP 33 24.728 4.630 -9.016 236 2HB ASP 33 HB1 ASP 33 24.565 6.123 -9.941 237 H TYR 34 HN TYR 34 23.458 7.202 -6.065 238 HA TYR 34 HA TYR 34 23.084 9.865 -7.126 239 1HB TYR 34 HB2 TYR 34 20.794 9.081 -7.109 240 2HB TYR 34 HB1 TYR 34 20.950 8.594 -5.420 241 HD1 TYR 34 HD1 TYR 34 20.271 10.052 -3.778 242 HD2 TYR 34 HD2 TYR 34 21.206 11.584 -7.627 243 HE1 TYR 34 HE1 TYR 34 19.482 12.276 -3.064 244 HE2 TYR 34 HE2 TYR 34 20.426 13.820 -6.924 245 HH TYR 34 HH TYR 34 19.812 14.601 -3.664 246 H GLU 35 HN GLU 35 24.981 10.460 -6.133 247 HA GLU 35 HA GLU 35 26.187 11.546 -4.642 248 1HB GLU 35 HB2 GLU 35 23.509 11.899 -3.285 249 2HB GLU 35 HB1 GLU 35 24.980 12.784 -2.903 250 1HG GLU 35 HG2 GLU 35 24.967 13.320 -5.482 251 2HG GLU 35 HG1 GLU 35 23.246 12.941 -5.323 252 H GLU 36 HN GLU 36 25.003 8.591 -3.691 253 HA GLU 36 HA GLU 36 27.083 8.127 -1.908 254 1HB GLU 36 HB2 GLU 36 25.757 9.660 -0.425 255 2HB GLU 36 HB1 GLU 36 24.446 8.487 -0.474 256 1HG GLU 36 HG2 GLU 36 25.812 6.842 0.611 257 2HG GLU 36 HG1 GLU 36 27.200 7.928 0.544 258 H ILE 37 HN ILE 37 23.743 7.419 -2.703 259 HA ILE 37 HA ILE 37 24.184 4.565 -2.180 260 HB ILE 37 HB ILE 37 21.584 5.890 -2.988 261 1HG1 ILE 37 HG12 ILE 37 22.358 6.932 -0.903 262 2HG1 ILE 37 HG11 ILE 37 21.000 5.847 -0.570 263 1HG2 ILE 37 HG21 ILE 37 21.727 3.471 -3.314 264 2HG2 ILE 37 HG22 ILE 37 20.563 3.902 -2.063 265 3HG2 ILE 37 HG23 ILE 37 22.157 3.266 -1.610 266 1HD1 ILE 37 HD11 ILE 37 22.562 4.138 0.188 267 2HD1 ILE 37 HD12 ILE 37 22.693 5.624 1.121 268 3HD1 ILE 37 HD13 ILE 37 23.913 5.240 -0.106 269 H SER 38 HN SER 38 23.803 2.998 -3.838 270 HA SER 38 HA SER 38 24.046 4.148 -6.529 271 1HB SER 38 HB2 SER 38 25.574 1.794 -5.394 272 2HB SER 38 HB1 SER 38 25.666 2.363 -7.061 273 HG SER 38 HG SER 38 26.341 4.440 -6.127 274 H ALA 39 HN ALA 39 23.497 2.652 -8.265 275 HA ALA 39 HA ALA 39 20.980 1.460 -7.909 276 1HB ALA 39 HB1 ALA 39 21.238 0.667 -10.208 277 2HB ALA 39 HB2 ALA 39 22.950 1.081 -10.160 278 3HB ALA 39 HB3 ALA 39 21.734 2.358 -10.049 279 H GLY 40 HN GLY 40 20.429 -0.479 -7.126 280 1HA GLY 40 HA2 GLY 40 20.707 -2.869 -7.083 281 2HA GLY 40 HA1 GLY 40 22.439 -2.618 -7.209 282 H ASP 41 HN ASP 41 21.938 -0.346 -5.117 283 HA ASP 41 HA ASP 41 22.582 -1.829 -2.814 284 1HB ASP 41 HB2 ASP 41 22.946 0.702 -3.332 285 2HB ASP 41 HB1 ASP 41 21.322 0.894 -2.700 286 H GLU 42 HN GLU 42 21.296 -2.526 -1.108 287 HA GLU 42 HA GLU 42 18.401 -2.479 -1.624 288 1HB GLU 42 HB2 GLU 42 20.011 -4.525 -0.070 289 2HB GLU 42 HB1 GLU 42 18.269 -4.573 -0.342 290 1HG GLU 42 HG2 GLU 42 18.639 -4.767 -2.743 291 2HG GLU 42 HG1 GLU 42 20.389 -4.740 -2.478 292 H GLY 43 HN GLY 43 17.004 -2.139 0.135 293 1HA GLY 43 HA2 GLY 43 18.248 -1.232 2.604 294 2HA GLY 43 HA1 GLY 43 17.462 0.006 1.639 295 H GLU 44 HN GLU 44 16.549 -0.232 4.072 296 HA GLU 44 HA GLU 44 13.987 -1.671 3.810 297 1HB GLU 44 HB2 GLU 44 15.380 -2.646 5.559 298 2HB GLU 44 HB1 GLU 44 15.592 -1.063 6.295 299 1HG GLU 44 HG2 GLU 44 13.131 -0.985 6.660 300 2HG GLU 44 HG1 GLU 44 13.055 -2.664 6.099 301 H PHE 45 HN PHE 45 12.132 -0.504 4.393 302 HA PHE 45 HA PHE 45 12.490 2.373 4.307 303 1HB PHE 45 HB2 PHE 45 10.796 1.447 2.842 304 2HB PHE 45 HB1 PHE 45 10.045 0.604 4.206 305 HD1 PHE 45 HD1 PHE 45 10.778 4.002 2.894 306 HD2 PHE 45 HD2 PHE 45 8.331 1.615 5.417 307 HE1 PHE 45 HE1 PHE 45 9.285 5.921 3.257 308 HE2 PHE 45 HE2 PHE 45 6.824 3.532 5.777 309 HZ PHE 45 HZ PHE 45 7.317 5.686 4.703 310 H ARG 46 HN ARG 46 12.738 3.483 6.143 311 HA ARG 46 HA ARG 46 11.758 2.315 8.611 312 1HB ARG 46 HB2 ARG 46 13.637 4.559 7.965 313 2HB ARG 46 HB1 ARG 46 12.932 4.424 9.567 314 1HG ARG 46 HG2 ARG 46 14.548 2.274 8.197 315 2HG ARG 46 HG1 ARG 46 15.135 3.366 9.460 316 1HD ARG 46 HD2 ARG 46 13.493 2.492 11.010 317 2HD ARG 46 HD1 ARG 46 12.837 1.449 9.760 318 HE ARG 46 HE ARG 46 15.410 0.679 9.861 319 1HH1 ARG 46 HH11 ARG 46 12.966 1.143 12.289 320 2HH1 ARG 46 HH12 ARG 46 13.578 -0.058 13.378 321 1HH2 ARG 46 HH21 ARG 46 16.222 -1.010 11.250 322 2HH2 ARG 46 HH22 ARG 46 15.399 -1.340 12.749 323 H GLN 47 HN GLN 47 11.442 5.403 6.865 324 HA GLN 47 HA GLN 47 8.739 5.724 7.622 325 1HB GLN 47 HB2 GLN 47 8.915 7.629 9.140 326 2HB GLN 47 HB1 GLN 47 9.667 6.197 9.824 327 1HG GLN 47 HG2 GLN 47 11.356 7.598 10.305 328 2HG GLN 47 HG1 GLN 47 11.789 7.335 8.628 329 1HE2 GLN 47 HE21 GLN 47 11.525 8.981 7.132 330 2HE2 GLN 47 HE22 GLN 47 11.129 10.598 7.603 331 H SER 48 HN SER 48 7.883 7.863 6.982 332 HA SER 48 HA SER 48 9.539 9.106 4.891 333 1HB SER 48 HB2 SER 48 7.388 9.411 3.604 334 2HB SER 48 HB1 SER 48 7.887 7.729 3.761 335 HG SER 48 HG SER 48 5.598 8.894 4.537 336 H ASN 49 HN ASN 49 9.190 11.383 4.607 337 HA ASN 49 HA ASN 49 8.084 12.679 6.945 338 1HB ASN 49 HB2 ASN 49 9.528 13.767 4.510 339 2HB ASN 49 HB1 ASN 49 8.934 14.766 5.860 340 1HD2 ASN 49 HD21 ASN 49 9.611 12.824 7.904 341 2HD2 ASN 49 HD22 ASN 49 11.337 12.843 8.047 342 H ASN 50 HN ASN 50 6.165 13.562 7.068 343 HA ASN 50 HA ASN 50 4.223 12.778 5.196 344 1HB ASN 50 HB2 ASN 50 4.024 14.691 7.511 345 2HB ASN 50 HB1 ASN 50 2.652 14.072 6.597 346 1HD2 ASN 50 HD21 ASN 50 2.006 11.975 6.851 347 2HD2 ASN 50 HD22 ASN 50 2.560 10.962 8.137 348 H GLY 51 HN GLY 51 3.659 13.665 3.367 349 1HA GLY 51 HA2 GLY 51 2.701 15.362 2.078 350 2HA GLY 51 HA1 GLY 51 3.369 16.542 3.219 351 H VAL 52 HN VAL 52 6.090 15.401 3.092 352 HA VAL 52 HA VAL 52 6.764 16.805 0.607 353 HB VAL 52 HB VAL 52 9.010 17.191 1.718 354 1HG1 VAL 52 HG11 VAL 52 6.598 18.328 3.138 355 2HG1 VAL 52 HG12 VAL 52 7.278 18.925 1.626 356 3HG1 VAL 52 HG13 VAL 52 8.220 19.019 3.116 357 1HG2 VAL 52 HG21 VAL 52 8.947 15.428 3.355 358 2HG2 VAL 52 HG22 VAL 52 7.530 16.148 4.126 359 3HG2 VAL 52 HG23 VAL 52 9.081 16.989 4.173 360 HA PRO 53 HA PRO 53 8.741 13.517 -1.441 361 1HB PRO 53 HB2 PRO 53 11.193 15.186 -1.587 362 2HB PRO 53 HB1 PRO 53 10.269 14.404 -2.878 363 1HG PRO 53 HG2 PRO 53 10.133 17.038 -2.422 364 2HG PRO 53 HG1 PRO 53 8.719 16.109 -2.949 365 1HD PRO 53 HD2 PRO 53 9.373 17.199 -0.265 366 2HD PRO 53 HD1 PRO 53 7.800 16.972 -1.047 367 HA PRO 54 HA PRO 54 13.038 12.958 0.973 368 1HB PRO 54 HB2 PRO 54 12.693 13.804 3.643 369 2HB PRO 54 HB1 PRO 54 13.708 14.561 2.403 370 1HG PRO 54 HG2 PRO 54 10.936 15.244 3.274 371 2HG PRO 54 HG1 PRO 54 12.257 16.317 2.779 372 1HD PRO 54 HD2 PRO 54 10.228 15.821 1.147 373 2HD PRO 54 HD1 PRO 54 11.896 15.929 0.520 374 H VAL 55 HN VAL 55 13.161 10.891 1.485 375 HA VAL 55 HA VAL 55 11.237 9.799 3.444 376 HB VAL 55 HB VAL 55 10.495 9.091 1.208 377 1HG1 VAL 55 HG11 VAL 55 12.573 9.226 -0.030 378 2HG1 VAL 55 HG12 VAL 55 11.884 7.606 -0.182 379 3HG1 VAL 55 HG13 VAL 55 13.231 7.880 0.917 380 1HG2 VAL 55 HG21 VAL 55 11.736 6.874 2.810 381 2HG2 VAL 55 HG22 VAL 55 10.500 6.650 1.574 382 3HG2 VAL 55 HG23 VAL 55 10.131 7.569 3.036 383 H GLN 56 HN GLN 56 12.091 8.301 4.883 384 HA GLN 56 HA GLN 56 15.022 8.299 4.982 385 1HB GLN 56 HB2 GLN 56 13.924 9.255 6.917 386 2HB GLN 56 HB1 GLN 56 12.984 7.789 7.134 387 1HG GLN 56 HG2 GLN 56 14.762 7.841 8.728 388 2HG GLN 56 HG1 GLN 56 15.033 6.533 7.568 389 1HE2 GLN 56 HE21 GLN 56 16.847 8.003 9.349 390 2HE2 GLN 56 HE22 GLN 56 18.090 8.619 8.315 391 H VAL 57 HN VAL 57 15.899 6.588 4.118 392 HA VAL 57 HA VAL 57 14.676 3.955 4.602 393 HB VAL 57 HB VAL 57 16.127 4.909 2.129 394 1HG1 VAL 57 HG11 VAL 57 15.609 2.730 1.162 395 2HG1 VAL 57 HG12 VAL 57 14.855 2.236 2.673 396 3HG1 VAL 57 HG13 VAL 57 16.590 2.567 2.623 397 1HG2 VAL 57 HG21 VAL 57 13.865 5.798 2.306 398 2HG2 VAL 57 HG22 VAL 57 13.234 4.177 2.540 399 3HG2 VAL 57 HG23 VAL 57 13.978 4.627 1.006 400 H PHE 58 HN PHE 58 15.972 2.465 5.475 401 HA PHE 58 HA PHE 58 18.759 3.157 5.987 402 1HB PHE 58 HB2 PHE 58 17.471 2.294 7.863 403 2HB PHE 58 HB1 PHE 58 17.032 0.861 6.936 404 HD1 PHE 58 HD1 PHE 58 18.307 -1.051 7.145 405 HD2 PHE 58 HD2 PHE 58 20.008 2.695 8.201 406 HE1 PHE 58 HE1 PHE 58 20.295 -2.205 8.005 407 HE2 PHE 58 HE2 PHE 58 22.021 1.563 9.052 408 HZ PHE 58 HZ PHE 58 22.173 -0.903 8.942 409 H TRP 59 HN TRP 59 20.227 2.600 4.546 410 HA TRP 59 HA TRP 59 19.648 0.406 2.682 411 1HB TRP 59 HB2 TRP 59 21.803 2.532 2.572 412 2HB TRP 59 HB1 TRP 59 21.528 1.293 1.340 413 HD1 TRP 59 HD1 TRP 59 20.340 4.682 2.472 414 HE1 TRP 59 HE1 TRP 59 18.495 5.537 0.881 415 HE3 TRP 59 HE3 TRP 59 19.443 0.404 -0.147 416 HZ2 TRP 59 HZ2 TRP 59 16.884 4.544 -1.159 417 HZ3 TRP 59 HZ3 TRP 59 17.734 0.440 -1.910 418 HH2 TRP 59 HH2 TRP 59 16.471 2.468 -2.395 419 H GLU 60 HN GLU 60 20.615 -1.527 2.864 420 HA GLU 60 HA GLU 60 22.316 -1.895 5.135 421 1HB GLU 60 HB2 GLU 60 22.012 -4.329 4.679 422 2HB GLU 60 HB1 GLU 60 20.499 -3.446 4.868 423 1HG GLU 60 HG2 GLU 60 19.924 -4.599 3.046 424 2HG GLU 60 HG1 GLU 60 20.787 -3.308 2.209 425 H SER 61 HN SER 61 22.737 -1.844 1.699 426 HA SER 61 HA SER 61 25.128 -3.331 1.627 427 1HB SER 61 HB2 SER 61 23.674 -2.922 -0.359 428 2HB SER 61 HB1 SER 61 24.174 -1.227 -0.324 429 HG SER 61 HG SER 61 25.462 -3.449 -1.285 430 H THR 62 HN THR 62 24.386 0.075 2.027 431 HA THR 62 HA THR 62 27.223 0.742 2.289 432 HB THR 62 HB THR 62 26.081 3.054 2.860 433 HG1 THR 62 HG1 THR 62 24.042 2.017 1.206 434 1HG2 THR 62 HG21 THR 62 26.044 1.843 0.101 435 2HG2 THR 62 HG22 THR 62 27.435 2.577 0.873 436 3HG2 THR 62 HG23 THR 62 26.032 3.574 0.463 437 H GLY 63 HN GLY 63 24.278 0.621 4.218 438 1HA GLY 63 HA2 GLY 63 24.191 -0.178 6.458 439 2HA GLY 63 HA1 GLY 63 25.905 0.212 6.616 440 H ARG 64 HN ARG 64 23.617 2.437 5.227 441 HA ARG 64 HA ARG 64 23.637 4.052 7.691 442 1HB ARG 64 HB2 ARG 64 24.183 5.161 4.927 443 2HB ARG 64 HB1 ARG 64 24.132 6.078 6.434 444 1HG ARG 64 HG2 ARG 64 26.111 4.913 7.221 445 2HG ARG 64 HG1 ARG 64 26.163 3.957 5.733 446 1HD ARG 64 HD2 ARG 64 26.352 6.091 4.468 447 2HD ARG 64 HD1 ARG 64 26.469 6.937 6.006 448 HE ARG 64 HE ARG 64 28.546 5.707 6.411 449 1HH1 ARG 64 HH11 ARG 64 27.285 5.801 3.116 450 2HH1 ARG 64 HH12 ARG 64 28.856 5.598 2.395 451 1HH2 ARG 64 HH21 ARG 64 30.620 5.463 5.425 452 2HH2 ARG 64 HH22 ARG 64 30.747 5.372 3.693 453 H THR 65 HN THR 65 21.841 5.474 7.870 454 HA THR 65 HA THR 65 19.593 4.949 6.137 455 HB THR 65 HB THR 65 18.510 6.776 7.551 456 HG1 THR 65 HG1 THR 65 21.042 7.195 8.232 457 1HG2 THR 65 HG21 THR 65 18.204 4.422 8.097 458 2HG2 THR 65 HG22 THR 65 18.328 5.388 9.571 459 3HG2 THR 65 HG23 THR 65 19.701 4.427 9.018 460 H TYR 66 HN TYR 66 18.623 6.495 4.769 461 HA TYR 66 HA TYR 66 19.993 9.004 4.293 462 1HB TYR 66 HB2 TYR 66 21.278 7.236 3.009 463 2HB TYR 66 HB1 TYR 66 19.826 7.005 2.050 464 HD1 TYR 66 HD1 TYR 66 19.693 8.187 0.046 465 HD2 TYR 66 HD2 TYR 66 22.067 9.768 3.201 466 HE1 TYR 66 HE1 TYR 66 20.376 10.031 -1.409 467 HE2 TYR 66 HE2 TYR 66 22.772 11.622 1.740 468 HH TYR 66 HH TYR 66 22.993 12.081 -0.644 469 H TRP 67 HN TRP 67 18.805 10.476 3.140 470 HA TRP 67 HA TRP 67 15.994 9.789 2.860 471 1HB TRP 67 HB2 TRP 67 17.436 12.446 2.963 472 2HB TRP 67 HB1 TRP 67 15.706 12.297 2.597 473 HD1 TRP 67 HD1 TRP 67 14.080 11.985 4.597 474 HE1 TRP 67 HE1 TRP 67 14.347 11.910 7.152 475 HE3 TRP 67 HE3 TRP 67 19.186 11.655 4.863 476 HZ2 TRP 67 HZ2 TRP 67 16.455 11.762 9.032 477 HZ3 TRP 67 HZ3 TRP 67 20.231 11.554 7.074 478 HH2 TRP 67 HH2 TRP 67 18.914 11.591 9.119 479 H VAL 68 HN VAL 68 15.336 9.213 0.919 480 HA VAL 68 HA VAL 68 16.908 10.074 -1.433 481 HB VAL 68 HB VAL 68 15.174 7.627 -1.479 482 1HG1 VAL 68 HG11 VAL 68 16.228 8.252 -3.536 483 2HG1 VAL 68 HG12 VAL 68 17.020 6.802 -2.934 484 3HG1 VAL 68 HG13 VAL 68 17.810 8.369 -2.763 485 1HG2 VAL 68 HG21 VAL 68 16.375 7.342 0.594 486 2HG2 VAL 68 HG22 VAL 68 17.911 7.684 -0.212 487 3HG2 VAL 68 HG23 VAL 68 17.008 6.232 -0.615 488 H HIS 69 HN HIS 69 15.463 9.805 -3.513 489 HA HIS 69 HA HIS 69 12.892 11.091 -3.035 490 1HB HIS 69 HB2 HIS 69 14.404 10.483 -5.573 491 2HB HIS 69 HB1 HIS 69 12.811 11.239 -5.562 492 HD1 HIS 69 HD1 HIS 69 15.813 12.181 -3.380 493 HD2 HIS 69 HD2 HIS 69 13.421 13.731 -6.403 494 HE1 HIS 69 HE1 HIS 69 16.589 14.535 -3.710 495 HE2 HIS 69 HE2 HIS 69 15.317 15.354 -5.733 496 H TRP 70 HN TRP 70 10.980 10.004 -3.265 497 HA TRP 70 HA TRP 70 10.771 7.329 -2.971 498 1HB TRP 70 HB2 TRP 70 8.878 9.351 -4.075 499 2HB TRP 70 HB1 TRP 70 8.388 7.652 -3.963 500 HD1 TRP 70 HD1 TRP 70 9.094 10.712 -1.802 501 HE1 TRP 70 HE1 TRP 70 8.282 10.244 0.607 502 HE3 TRP 70 HE3 TRP 70 8.015 5.747 -2.277 503 HZ2 TRP 70 HZ2 TRP 70 7.347 8.066 2.065 504 HZ3 TRP 70 HZ3 TRP 70 7.161 4.534 -0.307 505 HH2 TRP 70 HH2 TRP 70 6.834 5.663 1.820 506 H HIS 71 HN HIS 71 10.609 9.016 -6.093 507 HA HIS 71 HA HIS 71 9.879 6.599 -7.468 508 1HB HIS 71 HB2 HIS 71 10.180 7.919 -9.548 509 2HB HIS 71 HB1 HIS 71 9.161 8.726 -8.372 510 HD1 HIS 71 HD1 HIS 71 9.575 11.136 -8.436 511 HD2 HIS 71 HD2 HIS 71 13.072 8.989 -9.105 512 HE1 HIS 71 HE1 HIS 71 11.372 12.854 -8.782 513 HE2 HIS 71 HE2 HIS 71 13.418 11.541 -9.431 514 H MET 72 HN MET 72 12.770 7.235 -6.113 515 HA MET 72 HA MET 72 14.369 6.087 -8.279 516 1HB MET 72 HB2 MET 72 15.280 6.855 -5.514 517 2HB MET 72 HB1 MET 72 16.280 6.602 -6.931 518 1HG MET 72 HG2 MET 72 15.246 8.566 -7.987 519 2HG MET 72 HG1 MET 72 14.317 8.844 -6.508 520 1HE MET 72 HE1 MET 72 18.918 9.120 -6.781 521 2HE MET 72 HE2 MET 72 17.867 8.964 -8.205 522 3HE MET 72 HE3 MET 72 17.996 7.640 -7.059 523 H LEU 73 HN LEU 73 12.478 4.978 -5.758 524 HA LEU 73 HA LEU 73 14.246 2.718 -5.161 525 1HB LEU 73 HB2 LEU 73 11.937 3.898 -3.664 526 2HB LEU 73 HB1 LEU 73 12.560 2.304 -3.302 527 HG LEU 73 HG LEU 73 14.807 3.417 -2.873 528 1HD1 LEU 73 HD11 LEU 73 13.106 5.906 -2.815 529 2HD1 LEU 73 HD12 LEU 73 14.308 5.520 -4.051 530 3HD1 LEU 73 HD13 LEU 73 14.813 5.786 -2.376 531 1HD2 LEU 73 HD21 LEU 73 13.327 2.641 -1.103 532 2HD2 LEU 73 HD22 LEU 73 12.501 4.207 -1.105 533 3HD2 LEU 73 HD23 LEU 73 14.211 4.099 -0.633 534 H GLU 74 HN GLU 74 13.723 0.698 -5.679 535 HA GLU 74 HA GLU 74 11.165 0.193 -7.000 536 1HB GLU 74 HB2 GLU 74 13.283 -0.604 -8.033 537 2HB GLU 74 HB1 GLU 74 13.563 -1.612 -6.612 538 1HG GLU 74 HG2 GLU 74 11.456 -2.806 -7.125 539 2HG GLU 74 HG1 GLU 74 11.335 -1.870 -8.602 540 H ILE 75 HN ILE 75 9.630 -1.122 -6.100 541 HA ILE 75 HA ILE 75 9.950 -1.516 -3.231 542 HB ILE 75 HB ILE 75 7.897 -0.401 -3.842 543 1HG1 ILE 75 HG12 ILE 75 7.277 -3.259 -3.084 544 2HG1 ILE 75 HG11 ILE 75 7.791 -2.002 -1.958 545 1HG2 ILE 75 HG21 ILE 75 6.194 -1.408 -5.260 546 2HG2 ILE 75 HG22 ILE 75 7.273 -2.776 -5.562 547 3HG2 ILE 75 HG23 ILE 75 7.721 -1.177 -6.136 548 1HD1 ILE 75 HD11 ILE 75 5.244 -2.055 -3.558 549 2HD1 ILE 75 HD12 ILE 75 5.764 -0.749 -2.510 550 3HD1 ILE 75 HD13 ILE 75 5.417 -2.324 -1.830 551 H LEU 76 HN LEU 76 10.874 -3.319 -2.658 552 HA LEU 76 HA LEU 76 10.555 -5.741 -4.166 553 1HB LEU 76 HB2 LEU 76 11.860 -5.295 -1.467 554 2HB LEU 76 HB1 LEU 76 11.973 -6.761 -2.415 555 HG LEU 76 HG LEU 76 13.112 -4.069 -3.174 556 1HD1 LEU 76 HD11 LEU 76 15.272 -5.134 -2.874 557 2HD1 LEU 76 HD12 LEU 76 14.486 -6.646 -2.403 558 3HD1 LEU 76 HD13 LEU 76 14.336 -5.219 -1.383 559 1HD2 LEU 76 HD21 LEU 76 13.155 -6.703 -4.633 560 2HD2 LEU 76 HD22 LEU 76 14.128 -5.308 -5.072 561 3HD2 LEU 76 HD23 LEU 76 12.378 -5.217 -5.156 562 H GLY 77 HN GLY 77 9.719 -4.623 -0.914 563 1HA GLY 77 HA2 GLY 77 7.761 -4.999 0.273 564 2HA GLY 77 HA1 GLY 77 7.194 -6.008 -1.046 565 H PHE 78 HN PHE 78 6.781 -7.951 -0.368 566 HA PHE 78 HA PHE 78 8.799 -9.392 1.200 567 1HB PHE 78 HB2 PHE 78 5.863 -9.249 1.907 568 2HB PHE 78 HB1 PHE 78 7.005 -10.363 2.651 569 HD1 PHE 78 HD1 PHE 78 5.474 -7.168 2.829 570 HD2 PHE 78 HD2 PHE 78 9.036 -9.281 3.865 571 HE1 PHE 78 HE1 PHE 78 5.995 -5.481 4.515 572 HE2 PHE 78 HE2 PHE 78 9.561 -7.560 5.538 573 HZ PHE 78 HZ PHE 78 8.050 -5.662 5.876 574 H GLU 79 HN GLU 79 7.645 -9.233 -1.593 575 HA GLU 79 HA GLU 79 6.036 -11.509 -2.019 576 1HB GLU 79 HB2 GLU 79 6.512 -11.131 -4.394 577 2HB GLU 79 HB1 GLU 79 6.037 -9.644 -3.589 578 1HG GLU 79 HG2 GLU 79 8.294 -8.886 -3.514 579 2HG GLU 79 HG1 GLU 79 8.889 -10.442 -4.141 580 H GLU 80 HN GLU 80 9.409 -11.093 -1.594 581 HA GLU 80 HA GLU 80 10.424 -13.284 -2.957 582 1HB GLU 80 HB2 GLU 80 11.341 -12.458 -0.201 583 2HB GLU 80 HB1 GLU 80 12.287 -13.259 -1.453 584 1HG GLU 80 HG2 GLU 80 13.066 -11.105 -1.548 585 2HG GLU 80 HG1 GLU 80 11.837 -11.113 -2.814 Start of MODEL 5 1 H MET 4 HN MET 4 9.698 5.076 -20.026 2 HA MET 4 HA MET 4 11.609 6.282 -18.292 3 1HB MET 4 HB2 MET 4 10.327 8.369 -18.678 4 2HB MET 4 HB1 MET 4 10.822 7.581 -20.167 5 1HG MET 4 HG2 MET 4 8.091 7.281 -18.963 6 2HG MET 4 HG1 MET 4 8.512 8.526 -20.134 7 1HE MET 4 HE1 MET 4 6.361 6.073 -22.304 8 2HE MET 4 HE2 MET 4 6.580 7.736 -21.779 9 3HE MET 4 HE3 MET 4 6.090 6.506 -20.620 10 H ARG 5 HN ARG 5 11.182 7.403 -16.348 11 HA ARG 5 HA ARG 5 9.512 5.990 -14.529 12 1HB ARG 5 HB2 ARG 5 11.638 7.292 -13.990 13 2HB ARG 5 HB1 ARG 5 10.668 8.763 -14.131 14 1HG ARG 5 HG2 ARG 5 10.809 8.251 -11.818 15 2HG ARG 5 HG1 ARG 5 9.181 7.766 -12.338 16 1HD ARG 5 HD2 ARG 5 10.035 6.034 -10.942 17 2HD ARG 5 HD1 ARG 5 10.095 5.431 -12.605 18 HE ARG 5 HE ARG 5 12.520 6.651 -11.522 19 1HH1 ARG 5 HH11 ARG 5 10.759 3.760 -12.435 20 2HH1 ARG 5 HH12 ARG 5 12.161 2.730 -12.430 21 1HH2 ARG 5 HH21 ARG 5 14.394 5.315 -11.536 22 2HH2 ARG 5 HH22 ARG 5 14.234 3.634 -11.968 23 H SER 6 HN SER 6 9.141 8.904 -16.418 24 HA SER 6 HA SER 6 6.686 9.746 -15.152 25 1HB SER 6 HB2 SER 6 7.948 10.618 -17.761 26 2HB SER 6 HB1 SER 6 6.639 11.448 -16.916 27 HG SER 6 HG SER 6 9.187 10.928 -15.763 28 H GLU 7 HN GLU 7 7.068 7.039 -16.700 29 HA GLU 7 HA GLU 7 5.321 7.139 -18.922 30 1HB GLU 7 HB2 GLU 7 6.990 5.312 -18.324 31 2HB GLU 7 HB1 GLU 7 5.775 4.716 -17.209 32 1HG GLU 7 HG2 GLU 7 4.184 4.642 -19.174 33 2HG GLU 7 HG1 GLU 7 5.617 4.890 -20.179 34 H PHE 8 HN PHE 8 4.755 6.995 -15.524 35 HA PHE 8 HA PHE 8 2.058 5.978 -15.778 36 1HB PHE 8 HB2 PHE 8 3.637 7.028 -13.405 37 2HB PHE 8 HB1 PHE 8 1.991 6.422 -13.305 38 HD1 PHE 8 HD1 PHE 8 1.557 4.097 -13.187 39 HD2 PHE 8 HD2 PHE 8 5.451 5.494 -14.190 40 HE1 PHE 8 HE1 PHE 8 2.421 1.809 -12.979 41 HE2 PHE 8 HE2 PHE 8 6.321 3.206 -13.971 42 HZ PHE 8 HZ PHE 8 4.813 1.356 -13.353 43 H ALA 9 HN ALA 9 0.413 7.360 -14.302 44 HA ALA 9 HA ALA 9 -0.574 9.208 -16.053 45 1HB ALA 9 HB1 ALA 9 -2.124 9.864 -14.326 46 2HB ALA 9 HB2 ALA 9 -1.128 9.083 -13.102 47 3HB ALA 9 HB3 ALA 9 -1.910 8.119 -14.360 48 H SER 10 HN SER 10 1.248 9.932 -13.101 49 HA SER 10 HA SER 10 1.741 12.608 -14.233 50 1HB SER 10 HB2 SER 10 1.355 11.999 -11.292 51 2HB SER 10 HB1 SER 10 1.590 13.585 -12.013 52 HG SER 10 HG SER 10 -0.400 13.139 -13.204 53 H GLY 11 HN GLY 11 3.210 9.914 -14.005 54 1HA GLY 11 HA2 GLY 11 5.411 9.305 -13.887 55 2HA GLY 11 HA1 GLY 11 5.828 10.975 -13.510 56 H ASN 12 HN ASN 12 5.051 11.674 -11.267 57 HA ASN 12 HA ASN 12 6.398 10.254 -9.290 58 1HB ASN 12 HB2 ASN 12 5.341 11.733 -7.693 59 2HB ASN 12 HB1 ASN 12 5.798 12.640 -9.116 60 1HD2 ASN 12 HD21 ASN 12 3.195 11.555 -7.127 61 2HD2 ASN 12 HD22 ASN 12 1.937 12.418 -7.950 62 H THR 13 HN THR 13 3.197 9.802 -10.536 63 HA THR 13 HA THR 13 1.846 8.567 -8.506 64 HB THR 13 HB THR 13 1.734 7.473 -11.286 65 HG1 THR 13 HG1 THR 13 0.224 9.734 -10.902 66 1HG2 THR 13 HG21 THR 13 -0.318 8.206 -9.172 67 2HG2 THR 13 HG22 THR 13 0.151 6.582 -9.683 68 3HG2 THR 13 HG23 THR 13 -0.715 7.631 -10.793 69 H TYR 14 HN TYR 14 4.408 7.212 -10.528 70 HA TYR 14 HA TYR 14 4.161 4.555 -9.721 71 1HB TYR 14 HB2 TYR 14 5.527 5.136 -11.634 72 2HB TYR 14 HB1 TYR 14 6.600 6.086 -10.620 73 HD1 TYR 14 HD1 TYR 14 8.600 5.114 -10.004 74 HD2 TYR 14 HD2 TYR 14 5.245 2.591 -10.780 75 HE1 TYR 14 HE1 TYR 14 10.012 3.117 -9.639 76 HE2 TYR 14 HE2 TYR 14 6.653 0.589 -10.396 77 HH TYR 14 HH TYR 14 9.038 -0.025 -10.486 78 H ALA 15 HN ALA 15 6.262 7.132 -8.538 79 HA ALA 15 HA ALA 15 7.354 5.845 -6.347 80 1HB ALA 15 HB1 ALA 15 8.219 7.923 -7.221 81 2HB ALA 15 HB2 ALA 15 7.809 8.120 -5.522 82 3HB ALA 15 HB3 ALA 15 6.747 8.773 -6.766 83 H LEU 16 HN LEU 16 4.266 7.406 -6.801 84 HA LEU 16 HA LEU 16 3.509 7.469 -4.082 85 1HB LEU 16 HB2 LEU 16 2.458 8.858 -5.808 86 2HB LEU 16 HB1 LEU 16 1.824 7.425 -6.571 87 HG LEU 16 HG LEU 16 0.437 6.952 -4.608 88 1HD1 LEU 16 HD11 LEU 16 0.211 8.632 -2.835 89 2HD1 LEU 16 HD12 LEU 16 1.560 9.537 -3.547 90 3HD1 LEU 16 HD13 LEU 16 1.832 7.930 -2.889 91 1HD2 LEU 16 HD21 LEU 16 -1.125 8.786 -4.901 92 2HD2 LEU 16 HD22 LEU 16 -0.458 8.308 -6.462 93 3HD2 LEU 16 HD23 LEU 16 0.120 9.776 -5.665 94 H TYR 17 HN TYR 17 3.250 5.096 -6.654 95 HA TYR 17 HA TYR 17 1.443 3.375 -5.376 96 1HB TYR 17 HB2 TYR 17 1.980 3.323 -7.820 97 2HB TYR 17 HB1 TYR 17 3.547 2.613 -7.407 98 HD1 TYR 17 HD1 TYR 17 3.755 0.279 -6.950 99 HD2 TYR 17 HD2 TYR 17 -0.100 2.039 -7.279 100 HE1 TYR 17 HE1 TYR 17 2.742 -1.963 -6.966 101 HE2 TYR 17 HE2 TYR 17 -1.126 -0.194 -7.305 102 HH TYR 17 HH TYR 17 0.547 -3.023 -6.428 103 H VAL 18 HN VAL 18 4.990 3.285 -5.626 104 HA VAL 18 HA VAL 18 5.310 1.046 -3.964 105 HB VAL 18 HB VAL 18 7.650 1.627 -3.734 106 1HG1 VAL 18 HG11 VAL 18 6.915 0.658 -5.848 107 2HG1 VAL 18 HG12 VAL 18 8.270 1.739 -6.080 108 3HG1 VAL 18 HG13 VAL 18 6.644 2.275 -6.516 109 1HG2 VAL 18 HG21 VAL 18 7.430 4.040 -3.311 110 2HG2 VAL 18 HG22 VAL 18 6.944 4.283 -4.984 111 3HG2 VAL 18 HG23 VAL 18 8.583 3.717 -4.610 112 H ARG 19 HN ARG 19 5.264 4.510 -3.232 113 HA ARG 19 HA ARG 19 5.796 4.403 -0.503 114 1HB ARG 19 HB2 ARG 19 5.788 6.522 -1.529 115 2HB ARG 19 HB1 ARG 19 4.189 6.283 -2.231 116 1HG ARG 19 HG2 ARG 19 3.240 6.395 0.072 117 2HG ARG 19 HG1 ARG 19 4.860 6.804 0.659 118 1HD ARG 19 HD2 ARG 19 4.860 8.861 -0.412 119 2HD ARG 19 HD1 ARG 19 3.616 8.367 -1.565 120 HE ARG 19 HE ARG 19 2.600 8.370 1.097 121 1HH1 ARG 19 HH11 ARG 19 3.469 10.475 -1.600 122 2HH1 ARG 19 HH12 ARG 19 2.281 11.683 -1.169 123 1HH2 ARG 19 HH21 ARG 19 1.043 9.997 1.629 124 2HH2 ARG 19 HH22 ARG 19 0.930 11.436 0.636 125 H ASP 20 HN ASP 20 2.786 4.021 -2.272 126 HA ASP 20 HA ASP 20 0.942 4.116 -0.194 127 1HB ASP 20 HB2 ASP 20 0.338 4.178 -2.571 128 2HB ASP 20 HB1 ASP 20 0.836 2.483 -2.739 129 H THR 21 HN THR 21 3.017 1.479 -1.246 130 HA THR 21 HA THR 21 1.620 -0.281 0.673 131 HB THR 21 HB THR 21 3.451 -1.263 -1.531 132 HG1 THR 21 HG1 THR 21 1.149 0.055 -1.872 133 1HG2 THR 21 HG21 THR 21 1.084 -2.515 -0.109 134 2HG2 THR 21 HG22 THR 21 2.774 -2.832 0.260 135 3HG2 THR 21 HG23 THR 21 2.131 -3.286 -1.311 136 H LEU 22 HN LEU 22 4.406 1.564 0.450 137 HA LEU 22 HA LEU 22 6.152 -0.311 1.779 138 1HB LEU 22 HB2 LEU 22 6.411 2.602 1.112 139 2HB LEU 22 HB1 LEU 22 7.597 1.776 2.124 140 HG LEU 22 HG LEU 22 6.952 1.275 -0.788 141 1HD1 LEU 22 HD11 LEU 22 9.293 1.792 -1.107 142 2HD1 LEU 22 HD12 LEU 22 9.515 1.973 0.622 143 3HD1 LEU 22 HD13 LEU 22 8.499 3.120 -0.256 144 1HD2 LEU 22 HD21 LEU 22 7.186 -0.889 0.307 145 2HD2 LEU 22 HD22 LEU 22 8.703 -0.359 1.051 146 3HD2 LEU 22 HD23 LEU 22 8.592 -0.537 -0.702 147 H GLN 23 HN GLN 23 5.323 -0.945 3.619 148 HA GLN 23 HA GLN 23 4.468 0.980 5.628 149 1HB GLN 23 HB2 GLN 23 4.592 -2.045 5.618 150 2HB GLN 23 HB1 GLN 23 4.003 -1.078 6.973 151 1HG GLN 23 HG2 GLN 23 2.165 -0.287 5.692 152 2HG GLN 23 HG1 GLN 23 2.822 -0.980 4.213 153 1HE2 GLN 23 HE21 GLN 23 2.979 -2.654 7.259 154 2HE2 GLN 23 HE22 GLN 23 1.786 -3.871 6.882 155 HA PRO 24 HA PRO 24 8.252 1.060 8.015 156 1HB PRO 24 HB2 PRO 24 6.680 -0.015 10.305 157 2HB PRO 24 HB1 PRO 24 7.717 1.420 10.232 158 1HG PRO 24 HG2 PRO 24 5.055 1.641 10.220 159 2HG PRO 24 HG1 PRO 24 6.065 2.710 9.242 160 1HD PRO 24 HD2 PRO 24 4.401 0.391 8.407 161 2HD PRO 24 HD1 PRO 24 4.732 1.899 7.545 162 H GLY 25 HN GLY 25 9.659 -0.496 7.424 163 1HA GLY 25 HA2 GLY 25 10.760 -2.537 8.180 164 2HA GLY 25 HA1 GLY 25 9.156 -3.228 8.403 165 H MET 26 HN MET 26 8.697 -1.616 5.670 166 HA MET 26 HA MET 26 8.987 -3.949 4.018 167 1HB MET 26 HB2 MET 26 7.451 -1.671 3.893 168 2HB MET 26 HB1 MET 26 8.609 -1.426 2.602 169 1HG MET 26 HG2 MET 26 6.636 -2.458 1.752 170 2HG MET 26 HG1 MET 26 7.974 -3.589 1.667 171 1HE MET 26 HE1 MET 26 4.554 -3.978 1.752 172 2HE MET 26 HE2 MET 26 4.562 -5.596 2.453 173 3HE MET 26 HE3 MET 26 5.702 -5.178 1.171 174 H ARG 27 HN ARG 27 10.519 -4.443 2.608 175 HA ARG 27 HA ARG 27 13.001 -3.012 2.749 176 1HB ARG 27 HB2 ARG 27 12.630 -5.576 2.666 177 2HB ARG 27 HB1 ARG 27 12.478 -5.348 0.929 178 1HG ARG 27 HG2 ARG 27 14.699 -4.447 0.803 179 2HG ARG 27 HG1 ARG 27 14.867 -4.524 2.566 180 1HD ARG 27 HD2 ARG 27 14.484 -6.961 2.438 181 2HD ARG 27 HD1 ARG 27 14.520 -6.836 0.680 182 HE ARG 27 HE ARG 27 16.851 -5.774 2.032 183 1HH1 ARG 27 HH11 ARG 27 15.378 -8.534 0.464 184 2HH1 ARG 27 HH12 ARG 27 16.877 -9.370 0.231 185 1HH2 ARG 27 HH21 ARG 27 18.814 -6.856 1.778 186 2HH2 ARG 27 HH22 ARG 27 18.832 -8.421 1.013 187 H VAL 28 HN VAL 28 14.167 -2.181 0.931 188 HA VAL 28 HA VAL 28 12.554 -1.596 -1.452 189 HB VAL 28 HB VAL 28 13.263 0.757 -1.446 190 1HG1 VAL 28 HG11 VAL 28 11.838 1.555 0.387 191 2HG1 VAL 28 HG12 VAL 28 11.868 -0.049 1.117 192 3HG1 VAL 28 HG13 VAL 28 11.096 0.189 -0.456 193 1HG2 VAL 28 HG21 VAL 28 14.389 0.174 1.302 194 2HG2 VAL 28 HG22 VAL 28 14.340 1.754 0.507 195 3HG2 VAL 28 HG23 VAL 28 15.341 0.451 -0.161 196 H ARG 29 HN ARG 29 13.777 -0.973 -3.284 197 HA ARG 29 HA ARG 29 16.697 -1.362 -3.063 198 1HB ARG 29 HB2 ARG 29 15.670 -3.343 -4.070 199 2HB ARG 29 HB1 ARG 29 14.919 -2.338 -5.317 200 1HG ARG 29 HG2 ARG 29 16.959 -1.918 -6.352 201 2HG ARG 29 HG1 ARG 29 17.891 -2.429 -4.951 202 1HD ARG 29 HD2 ARG 29 17.913 -4.089 -6.775 203 2HD ARG 29 HD1 ARG 29 17.252 -4.717 -5.272 204 HE ARG 29 HE ARG 29 15.223 -3.692 -7.016 205 1HH1 ARG 29 HH11 ARG 29 17.305 -6.451 -6.482 206 2HH1 ARG 29 HH12 ARG 29 16.196 -7.607 -7.165 207 1HH2 ARG 29 HH21 ARG 29 13.780 -5.166 -7.955 208 2HH2 ARG 29 HH22 ARG 29 14.176 -6.867 -8.031 209 H MET 30 HN MET 30 17.984 -0.059 -4.283 210 HA MET 30 HA MET 30 16.838 2.450 -5.094 211 1HB MET 30 HB2 MET 30 18.980 2.267 -3.844 212 2HB MET 30 HB1 MET 30 19.706 1.477 -5.240 213 1HG MET 30 HG2 MET 30 20.362 3.780 -5.179 214 2HG MET 30 HG1 MET 30 19.300 3.500 -6.568 215 1HE MET 30 HE1 MET 30 20.130 6.333 -5.115 216 2HE MET 30 HE2 MET 30 18.602 7.186 -5.308 217 3HE MET 30 HE3 MET 30 19.237 6.200 -6.635 218 H LEU 31 HN LEU 31 16.123 2.885 -7.096 219 HA LEU 31 HA LEU 31 16.781 1.053 -9.275 220 1HB LEU 31 HB2 LEU 31 14.837 3.340 -9.016 221 2HB LEU 31 HB1 LEU 31 15.066 2.432 -10.489 222 HG LEU 31 HG LEU 31 14.176 1.202 -7.890 223 1HD1 LEU 31 HD11 LEU 31 12.559 2.096 -10.283 224 2HD1 LEU 31 HD12 LEU 31 12.482 2.762 -8.638 225 3HD1 LEU 31 HD13 LEU 31 11.939 1.114 -8.953 226 1HD2 LEU 31 HD21 LEU 31 13.561 -0.693 -9.322 227 2HD2 LEU 31 HD22 LEU 31 15.284 -0.330 -9.446 228 3HD2 LEU 31 HD23 LEU 31 14.183 0.166 -10.725 229 H ASP 32 HN ASP 32 17.560 4.297 -8.264 230 HA ASP 32 HA ASP 32 18.737 4.824 -10.917 231 1HB ASP 32 HB2 ASP 32 17.453 6.642 -8.904 232 2HB ASP 32 HB1 ASP 32 18.626 7.289 -10.048 233 H ASP 33 HN ASP 33 20.636 6.374 -10.821 234 HA ASP 33 HA ASP 33 22.405 5.472 -8.666 235 1HB ASP 33 HB2 ASP 33 23.099 5.172 -11.065 236 2HB ASP 33 HB1 ASP 33 23.175 6.932 -11.210 237 H TYR 34 HN TYR 34 23.110 6.828 -7.135 238 HA TYR 34 HA TYR 34 22.265 9.640 -7.348 239 1HB TYR 34 HB2 TYR 34 20.827 8.158 -5.882 240 2HB TYR 34 HB1 TYR 34 22.226 8.003 -4.813 241 HD1 TYR 34 HD1 TYR 34 20.142 10.671 -6.449 242 HD2 TYR 34 HD2 TYR 34 22.360 9.445 -3.017 243 HE1 TYR 34 HE1 TYR 34 19.471 12.745 -5.276 244 HE2 TYR 34 HE2 TYR 34 21.676 11.495 -1.840 245 HH TYR 34 HH TYR 34 20.881 13.722 -2.296 246 H GLU 35 HN GLU 35 23.276 10.778 -5.276 247 HA GLU 35 HA GLU 35 26.091 10.810 -5.892 248 1HB GLU 35 HB2 GLU 35 24.497 12.670 -4.151 249 2HB GLU 35 HB1 GLU 35 26.152 12.938 -4.700 250 1HG GLU 35 HG2 GLU 35 23.689 12.794 -6.427 251 2HG GLU 35 HG1 GLU 35 24.586 14.251 -6.000 252 H GLU 36 HN GLU 36 25.041 8.608 -4.322 253 HA GLU 36 HA GLU 36 26.857 8.470 -2.186 254 1HB GLU 36 HB2 GLU 36 24.988 10.103 -1.340 255 2HB GLU 36 HB1 GLU 36 24.011 8.648 -1.208 256 1HG GLU 36 HG2 GLU 36 24.958 9.109 0.926 257 2HG GLU 36 HG1 GLU 36 25.759 7.679 0.261 258 H ILE 37 HN ILE 37 23.772 7.503 -3.482 259 HA ILE 37 HA ILE 37 24.315 4.691 -2.838 260 HB ILE 37 HB ILE 37 21.611 5.937 -3.362 261 1HG1 ILE 37 HG12 ILE 37 22.550 6.863 -1.317 262 2HG1 ILE 37 HG11 ILE 37 21.197 5.792 -0.967 263 1HG2 ILE 37 HG21 ILE 37 20.724 3.878 -2.429 264 2HG2 ILE 37 HG22 ILE 37 22.358 3.265 -2.211 265 3HG2 ILE 37 HG23 ILE 37 21.731 3.549 -3.829 266 1HD1 ILE 37 HD11 ILE 37 22.801 4.005 -0.388 267 2HD1 ILE 37 HD12 ILE 37 22.990 5.427 0.651 268 3HD1 ILE 37 HD13 ILE 37 24.129 5.125 -0.668 269 H SER 38 HN SER 38 23.545 3.140 -4.531 270 HA SER 38 HA SER 38 23.546 4.384 -7.202 271 1HB SER 38 HB2 SER 38 25.864 3.654 -6.674 272 2HB SER 38 HB1 SER 38 25.255 2.015 -6.386 273 HG SER 38 HG SER 38 25.287 3.487 -8.819 274 H ALA 39 HN ALA 39 22.834 2.817 -8.897 275 HA ALA 39 HA ALA 39 20.374 1.704 -8.191 276 1HB ALA 39 HB1 ALA 39 22.041 1.171 -10.655 277 2HB ALA 39 HB2 ALA 39 20.857 2.472 -10.461 278 3HB ALA 39 HB3 ALA 39 20.329 0.779 -10.457 279 H GLY 40 HN GLY 40 19.825 -0.212 -7.406 280 1HA GLY 40 HA2 GLY 40 19.971 -2.613 -7.380 281 2HA GLY 40 HA1 GLY 40 21.704 -2.467 -7.646 282 H ASP 41 HN ASP 41 21.648 -0.255 -5.475 283 HA ASP 41 HA ASP 41 22.285 -1.849 -3.260 284 1HB ASP 41 HB2 ASP 41 21.589 1.090 -3.450 285 2HB ASP 41 HB1 ASP 41 22.030 0.303 -1.949 286 H GLU 42 HN GLU 42 21.060 -2.555 -1.531 287 HA GLU 42 HA GLU 42 18.187 -1.945 -1.682 288 1HB GLU 42 HB2 GLU 42 19.594 -4.470 -0.829 289 2HB GLU 42 HB1 GLU 42 17.884 -4.188 -0.560 290 1HG GLU 42 HG2 GLU 42 17.456 -4.057 -2.916 291 2HG GLU 42 HG1 GLU 42 19.182 -4.129 -3.264 292 H GLY 43 HN GLY 43 17.011 -1.869 0.297 293 1HA GLY 43 HA2 GLY 43 18.437 -1.835 2.817 294 2HA GLY 43 HA1 GLY 43 17.940 -0.225 2.249 295 H GLU 44 HN GLU 44 16.759 -0.434 4.364 296 HA GLU 44 HA GLU 44 14.136 -1.707 3.903 297 1HB GLU 44 HB2 GLU 44 15.443 -2.865 5.670 298 2HB GLU 44 HB1 GLU 44 15.511 -1.363 6.572 299 1HG GLU 44 HG2 GLU 44 13.099 -1.369 6.797 300 2HG GLU 44 HG1 GLU 44 13.001 -2.845 5.854 301 H PHE 45 HN PHE 45 12.316 -0.603 4.668 302 HA PHE 45 HA PHE 45 12.694 2.301 4.721 303 1HB PHE 45 HB2 PHE 45 11.087 1.516 3.120 304 2HB PHE 45 HB1 PHE 45 10.295 0.520 4.337 305 HD1 PHE 45 HD1 PHE 45 10.884 3.983 3.247 306 HD2 PHE 45 HD2 PHE 45 8.612 1.388 5.731 307 HE1 PHE 45 HE1 PHE 45 9.319 5.800 3.731 308 HE2 PHE 45 HE2 PHE 45 7.014 3.195 6.189 309 HZ PHE 45 HZ PHE 45 7.371 5.417 5.193 310 H ARG 46 HN ARG 46 12.732 3.331 6.623 311 HA ARG 46 HA ARG 46 11.587 2.015 8.968 312 1HB ARG 46 HB2 ARG 46 13.535 4.303 8.688 313 2HB ARG 46 HB1 ARG 46 12.850 3.818 10.225 314 1HG ARG 46 HG2 ARG 46 13.808 1.586 9.962 315 2HG ARG 46 HG1 ARG 46 14.526 2.094 8.434 316 1HD ARG 46 HD2 ARG 46 15.876 3.747 9.564 317 2HD ARG 46 HD1 ARG 46 15.070 3.383 11.095 318 HE ARG 46 HE ARG 46 16.173 1.018 10.127 319 1HH1 ARG 46 HH11 ARG 46 17.232 4.129 11.350 320 2HH1 ARG 46 HH12 ARG 46 18.776 3.527 11.907 321 1HH2 ARG 46 HH21 ARG 46 18.185 0.229 10.871 322 2HH2 ARG 46 HH22 ARG 46 19.296 1.314 11.650 323 H GLN 47 HN GLN 47 11.577 5.169 7.343 324 HA GLN 47 HA GLN 47 8.874 5.688 8.070 325 1HB GLN 47 HB2 GLN 47 9.244 7.622 9.514 326 2HB GLN 47 HB1 GLN 47 9.812 6.131 10.258 327 1HG GLN 47 HG2 GLN 47 12.109 6.708 9.629 328 2HG GLN 47 HG1 GLN 47 11.523 8.187 8.891 329 1HE2 GLN 47 HE21 GLN 47 10.735 9.844 10.181 330 2HE2 GLN 47 HE22 GLN 47 11.089 9.912 11.872 331 H SER 48 HN SER 48 8.135 7.794 7.310 332 HA SER 48 HA SER 48 9.962 9.088 5.416 333 1HB SER 48 HB2 SER 48 8.120 8.916 3.687 334 2HB SER 48 HB1 SER 48 8.951 7.400 4.051 335 HG SER 48 HG SER 48 6.377 7.806 4.137 336 H ASN 49 HN ASN 49 8.754 10.908 4.312 337 HA ASN 49 HA ASN 49 6.716 12.093 6.085 338 1HB ASN 49 HB2 ASN 49 8.366 13.517 3.985 339 2HB ASN 49 HB1 ASN 49 7.275 14.258 5.161 340 1HD2 ASN 49 HD21 ASN 49 10.370 12.854 4.629 341 2HD2 ASN 49 HD22 ASN 49 11.083 13.311 6.152 342 H ASN 50 HN ASN 50 4.790 11.516 5.327 343 HA ASN 50 HA ASN 50 4.600 10.603 2.593 344 1HB ASN 50 HB2 ASN 50 2.651 10.537 4.884 345 2HB ASN 50 HB1 ASN 50 2.241 9.977 3.258 346 1HD2 ASN 50 HD21 ASN 50 2.396 8.480 5.762 347 2HD2 ASN 50 HD22 ASN 50 3.522 7.199 5.486 348 H GLY 51 HN GLY 51 4.962 12.687 1.655 349 1HA GLY 51 HA2 GLY 51 2.714 13.707 0.399 350 2HA GLY 51 HA1 GLY 51 3.008 14.747 1.798 351 H VAL 52 HN VAL 52 5.905 14.224 1.705 352 HA VAL 52 HA VAL 52 6.618 15.806 -0.653 353 HB VAL 52 HB VAL 52 8.559 16.611 0.755 354 1HG1 VAL 52 HG11 VAL 52 6.646 18.013 0.256 355 2HG1 VAL 52 HG12 VAL 52 7.228 18.317 1.887 356 3HG1 VAL 52 HG13 VAL 52 5.775 17.347 1.639 357 1HG2 VAL 52 HG21 VAL 52 8.268 16.517 3.190 358 2HG2 VAL 52 HG22 VAL 52 8.495 14.927 2.487 359 3HG2 VAL 52 HG23 VAL 52 6.888 15.453 2.972 360 HA PRO 53 HA PRO 53 9.564 12.863 -2.073 361 1HB PRO 53 HB2 PRO 53 11.768 14.795 -1.739 362 2HB PRO 53 HB1 PRO 53 11.237 13.921 -3.190 363 1HG PRO 53 HG2 PRO 53 10.710 16.527 -2.875 364 2HG PRO 53 HG1 PRO 53 9.535 15.434 -3.635 365 1HD PRO 53 HD2 PRO 53 9.529 16.598 -0.882 366 2HD PRO 53 HD1 PRO 53 8.168 16.270 -1.983 367 HA PRO 54 HA PRO 54 13.185 12.852 1.246 368 1HB PRO 54 HB2 PRO 54 12.314 13.855 3.716 369 2HB PRO 54 HB1 PRO 54 13.433 14.643 2.598 370 1HG PRO 54 HG2 PRO 54 10.499 15.042 2.955 371 2HG PRO 54 HG1 PRO 54 11.770 16.231 2.622 372 1HD PRO 54 HD2 PRO 54 10.118 15.409 0.683 373 2HD PRO 54 HD1 PRO 54 11.845 15.708 0.349 374 H VAL 55 HN VAL 55 13.150 10.749 1.588 375 HA VAL 55 HA VAL 55 11.315 9.706 3.638 376 HB VAL 55 HB VAL 55 10.466 8.813 1.571 377 1HG1 VAL 55 HG11 VAL 55 11.824 7.581 -0.029 378 2HG1 VAL 55 HG12 VAL 55 13.263 7.908 0.931 379 3HG1 VAL 55 HG13 VAL 55 12.403 9.234 0.168 380 1HG2 VAL 55 HG21 VAL 55 12.170 6.689 2.819 381 2HG2 VAL 55 HG22 VAL 55 10.691 6.444 1.907 382 3HG2 VAL 55 HG23 VAL 55 10.644 7.253 3.475 383 H GLN 56 HN GLN 56 12.263 8.376 5.156 384 HA GLN 56 HA GLN 56 15.191 8.375 5.101 385 1HB GLN 56 HB2 GLN 56 14.163 9.409 7.045 386 2HB GLN 56 HB1 GLN 56 13.211 7.962 7.350 387 1HG GLN 56 HG2 GLN 56 15.132 6.732 8.028 388 2HG GLN 56 HG1 GLN 56 16.209 7.989 7.399 389 1HE2 GLN 56 HE21 GLN 56 17.267 8.242 9.344 390 2HE2 GLN 56 HE22 GLN 56 16.529 9.007 10.712 391 H VAL 57 HN VAL 57 16.136 6.618 4.405 392 HA VAL 57 HA VAL 57 14.876 3.997 4.885 393 HB VAL 57 HB VAL 57 16.430 4.928 2.451 394 1HG1 VAL 57 HG11 VAL 57 16.922 2.605 2.923 395 2HG1 VAL 57 HG12 VAL 57 15.902 2.718 1.500 396 3HG1 VAL 57 HG13 VAL 57 15.202 2.224 3.037 397 1HG2 VAL 57 HG21 VAL 57 14.316 4.525 1.243 398 2HG2 VAL 57 HG22 VAL 57 14.180 5.823 2.443 399 3HG2 VAL 57 HG23 VAL 57 13.522 4.221 2.779 400 H PHE 58 HN PHE 58 16.248 2.389 5.629 401 HA PHE 58 HA PHE 58 19.009 3.179 6.192 402 1HB PHE 58 HB2 PHE 58 17.663 2.182 8.040 403 2HB PHE 58 HB1 PHE 58 17.496 0.710 7.083 404 HD1 PHE 58 HD1 PHE 58 19.157 -0.943 7.107 405 HD2 PHE 58 HD2 PHE 58 19.999 2.901 8.726 406 HE1 PHE 58 HE1 PHE 58 21.262 -1.785 8.047 407 HE2 PHE 58 HE2 PHE 58 22.113 2.070 9.652 408 HZ PHE 58 HZ PHE 58 22.737 -0.288 9.330 409 H TRP 59 HN TRP 59 20.377 2.768 4.629 410 HA TRP 59 HA TRP 59 19.833 0.705 2.664 411 1HB TRP 59 HB2 TRP 59 22.059 2.736 2.905 412 2HB TRP 59 HB1 TRP 59 21.942 1.571 1.578 413 HD1 TRP 59 HD1 TRP 59 20.793 4.967 2.575 414 HE1 TRP 59 HE1 TRP 59 19.068 5.843 0.887 415 HE3 TRP 59 HE3 TRP 59 19.853 0.621 0.043 416 HZ2 TRP 59 HZ2 TRP 59 17.532 4.834 -1.239 417 HZ3 TRP 59 HZ3 TRP 59 18.242 0.679 -1.835 418 HH2 TRP 59 HH2 TRP 59 17.096 2.742 -2.446 419 H GLU 60 HN GLU 60 20.443 -1.326 2.967 420 HA GLU 60 HA GLU 60 22.171 -1.973 5.156 421 1HB GLU 60 HB2 GLU 60 21.567 -4.263 4.729 422 2HB GLU 60 HB1 GLU 60 20.119 -3.287 4.711 423 1HG GLU 60 HG2 GLU 60 20.100 -3.312 2.271 424 2HG GLU 60 HG1 GLU 60 21.607 -4.250 2.269 425 H SER 61 HN SER 61 22.415 -1.572 1.780 426 HA SER 61 HA SER 61 24.661 -3.148 1.220 427 1HB SER 61 HB2 SER 61 23.222 -2.183 -0.508 428 2HB SER 61 HB1 SER 61 23.740 -0.566 -0.053 429 HG SER 61 HG SER 61 24.882 -1.326 -1.878 430 H THR 62 HN THR 62 24.317 0.189 2.293 431 HA THR 62 HA THR 62 27.219 0.508 2.478 432 HB THR 62 HB THR 62 25.203 2.641 3.147 433 HG1 THR 62 HG1 THR 62 26.020 1.709 0.581 434 1HG2 THR 62 HG21 THR 62 27.945 2.764 1.912 435 2HG2 THR 62 HG22 THR 62 27.599 3.071 3.617 436 3HG2 THR 62 HG23 THR 62 26.957 4.141 2.363 437 H GLY 63 HN GLY 63 24.309 0.390 4.408 438 1HA GLY 63 HA2 GLY 63 24.206 -0.464 6.611 439 2HA GLY 63 HA1 GLY 63 25.927 -0.127 6.794 440 H ARG 64 HN ARG 64 23.818 2.278 5.448 441 HA ARG 64 HA ARG 64 23.857 3.726 8.012 442 1HB ARG 64 HB2 ARG 64 24.465 5.810 6.846 443 2HB ARG 64 HB1 ARG 64 25.720 4.581 6.685 444 1HG ARG 64 HG2 ARG 64 25.154 4.163 4.433 445 2HG ARG 64 HG1 ARG 64 23.631 5.038 4.582 446 1HD ARG 64 HD2 ARG 64 25.276 6.349 3.358 447 2HD ARG 64 HD1 ARG 64 24.872 7.140 4.883 448 HE ARG 64 HE ARG 64 27.304 5.483 4.718 449 1HH1 ARG 64 HH11 ARG 64 25.753 8.580 5.174 450 2HH1 ARG 64 HH12 ARG 64 27.233 9.419 5.554 451 1HH2 ARG 64 HH21 ARG 64 29.240 6.528 5.263 452 2HH2 ARG 64 HH22 ARG 64 29.231 8.247 5.620 453 H THR 65 HN THR 65 22.192 5.209 8.332 454 HA THR 65 HA THR 65 19.811 4.888 6.766 455 HB THR 65 HB THR 65 20.183 7.005 8.858 456 HG1 THR 65 HG1 THR 65 20.014 5.510 10.472 457 1HG2 THR 65 HG21 THR 65 17.866 6.456 9.374 458 2HG2 THR 65 HG22 THR 65 17.902 5.181 8.170 459 3HG2 THR 65 HG23 THR 65 18.045 6.863 7.670 460 H TYR 66 HN TYR 66 18.922 6.391 5.363 461 HA TYR 66 HA TYR 66 20.215 8.951 4.964 462 1HB TYR 66 HB2 TYR 66 21.606 7.267 3.677 463 2HB TYR 66 HB1 TYR 66 20.179 6.992 2.664 464 HD1 TYR 66 HD1 TYR 66 22.296 9.832 3.898 465 HD2 TYR 66 HD2 TYR 66 19.998 8.199 0.703 466 HE1 TYR 66 HE1 TYR 66 22.980 11.706 2.454 467 HE2 TYR 66 HE2 TYR 66 20.665 10.064 -0.742 468 HH TYR 66 HH TYR 66 23.174 12.242 0.104 469 H TRP 67 HN TRP 67 19.015 10.411 3.726 470 HA TRP 67 HA TRP 67 16.211 9.649 3.389 471 1HB TRP 67 HB2 TRP 67 17.529 12.381 3.449 472 2HB TRP 67 HB1 TRP 67 15.803 12.118 3.205 473 HD1 TRP 67 HD1 TRP 67 14.326 11.773 5.318 474 HE1 TRP 67 HE1 TRP 67 14.783 11.750 7.849 475 HE3 TRP 67 HE3 TRP 67 19.458 11.663 5.224 476 HZ2 TRP 67 HZ2 TRP 67 17.011 11.689 9.586 477 HZ3 TRP 67 HZ3 TRP 67 20.666 11.615 7.376 478 HH2 TRP 67 HH2 TRP 67 19.467 11.621 9.507 479 H VAL 68 HN VAL 68 15.492 9.169 1.419 480 HA VAL 68 HA VAL 68 17.080 10.091 -0.899 481 HB VAL 68 HB VAL 68 15.393 7.639 -1.084 482 1HG1 VAL 68 HG11 VAL 68 16.536 8.278 -3.061 483 2HG1 VAL 68 HG12 VAL 68 17.398 6.879 -2.419 484 3HG1 VAL 68 HG13 VAL 68 18.056 8.511 -2.197 485 1HG2 VAL 68 HG21 VAL 68 16.475 7.282 1.047 486 2HG2 VAL 68 HG22 VAL 68 18.047 7.664 0.359 487 3HG2 VAL 68 HG23 VAL 68 17.182 6.214 -0.159 488 H HIS 69 HN HIS 69 15.585 9.751 -2.989 489 HA HIS 69 HA HIS 69 13.005 11.053 -2.399 490 1HB HIS 69 HB2 HIS 69 14.549 10.824 -4.998 491 2HB HIS 69 HB1 HIS 69 12.984 11.587 -4.852 492 HD1 HIS 69 HD1 HIS 69 13.054 14.030 -4.582 493 HD2 HIS 69 HD2 HIS 69 16.563 12.230 -3.273 494 HE1 HIS 69 HE1 HIS 69 14.614 15.912 -3.980 495 HE2 HIS 69 HE2 HIS 69 16.790 14.806 -3.391 496 H TRP 70 HN TRP 70 11.108 10.082 -2.865 497 HA TRP 70 HA TRP 70 10.818 7.377 -3.011 498 1HB TRP 70 HB2 TRP 70 8.907 9.506 -3.927 499 2HB TRP 70 HB1 TRP 70 8.482 7.801 -3.840 500 HD1 TRP 70 HD1 TRP 70 8.760 10.887 -1.731 501 HE1 TRP 70 HE1 TRP 70 8.040 10.344 0.688 502 HE3 TRP 70 HE3 TRP 70 8.632 5.797 -2.049 503 HZ2 TRP 70 HZ2 TRP 70 7.498 8.065 2.215 504 HZ3 TRP 70 HZ3 TRP 70 8.016 4.506 -0.042 505 HH2 TRP 70 HH2 TRP 70 7.468 5.616 2.056 506 H HIS 71 HN HIS 71 11.164 9.587 -5.742 507 HA HIS 71 HA HIS 71 9.970 7.931 -7.684 508 1HB HIS 71 HB2 HIS 71 10.765 9.419 -9.320 509 2HB HIS 71 HB1 HIS 71 10.462 10.407 -7.904 510 HD1 HIS 71 HD1 HIS 71 13.123 9.365 -10.229 511 HD2 HIS 71 HD2 HIS 71 12.816 11.383 -6.600 512 HE1 HIS 71 HE1 HIS 71 15.342 10.483 -9.901 513 HE2 HIS 71 HE2 HIS 71 15.079 11.867 -7.802 514 H MET 72 HN MET 72 12.965 7.526 -6.130 515 HA MET 72 HA MET 72 13.977 5.923 -8.392 516 1HB MET 72 HB2 MET 72 16.234 6.343 -7.572 517 2HB MET 72 HB1 MET 72 15.396 7.856 -7.861 518 1HG MET 72 HG2 MET 72 14.875 7.271 -5.210 519 2HG MET 72 HG1 MET 72 16.566 6.820 -5.441 520 1HE MET 72 HE1 MET 72 17.951 10.249 -6.912 521 2HE MET 72 HE2 MET 72 17.124 9.067 -7.923 522 3HE MET 72 HE3 MET 72 18.291 8.533 -6.708 523 H LEU 73 HN LEU 73 12.248 5.361 -5.839 524 HA LEU 73 HA LEU 73 13.923 3.204 -4.754 525 1HB LEU 73 HB2 LEU 73 11.459 4.507 -3.589 526 2HB LEU 73 HB1 LEU 73 12.355 3.200 -2.850 527 HG LEU 73 HG LEU 73 13.336 6.008 -3.325 528 1HD1 LEU 73 HD11 LEU 73 12.704 4.491 -0.794 529 2HD1 LEU 73 HD12 LEU 73 11.813 5.859 -1.458 530 3HD1 LEU 73 HD13 LEU 73 13.454 6.084 -0.869 531 1HD2 LEU 73 HD21 LEU 73 15.383 5.325 -2.160 532 2HD2 LEU 73 HD22 LEU 73 15.171 4.415 -3.661 533 3HD2 LEU 73 HD23 LEU 73 14.807 3.652 -2.111 534 H GLU 74 HN GLU 74 13.392 1.156 -5.013 535 HA GLU 74 HA GLU 74 10.885 0.478 -6.384 536 1HB GLU 74 HB2 GLU 74 12.979 -0.348 -7.377 537 2HB GLU 74 HB1 GLU 74 13.361 -1.203 -5.881 538 1HG GLU 74 HG2 GLU 74 11.232 -2.501 -6.219 539 2HG GLU 74 HG1 GLU 74 11.110 -1.742 -7.811 540 H ILE 75 HN ILE 75 9.327 -0.661 -5.426 541 HA ILE 75 HA ILE 75 9.487 -1.156 -2.601 542 HB ILE 75 HB ILE 75 7.381 -0.452 -3.423 543 1HG1 ILE 75 HG12 ILE 75 7.245 -3.384 -2.710 544 2HG1 ILE 75 HG11 ILE 75 7.345 -2.046 -1.571 545 1HG2 ILE 75 HG21 ILE 75 7.536 -1.181 -5.733 546 2HG2 ILE 75 HG22 ILE 75 6.040 -1.770 -5.017 547 3HG2 ILE 75 HG23 ILE 75 7.399 -2.868 -5.222 548 1HD1 ILE 75 HD11 ILE 75 5.166 -1.222 -2.378 549 2HD1 ILE 75 HD12 ILE 75 5.083 -2.864 -1.717 550 3HD1 ILE 75 HD13 ILE 75 5.080 -2.617 -3.465 551 H LEU 76 HN LEU 76 10.257 -2.919 -1.648 552 HA LEU 76 HA LEU 76 10.035 -5.505 -3.065 553 1HB LEU 76 HB2 LEU 76 12.098 -4.647 -1.020 554 2HB LEU 76 HB1 LEU 76 11.966 -6.255 -1.685 555 HG LEU 76 HG LEU 76 12.714 -3.764 -3.207 556 1HD1 LEU 76 HD11 LEU 76 14.900 -4.872 -3.422 557 2HD1 LEU 76 HD12 LEU 76 14.324 -6.186 -2.390 558 3HD1 LEU 76 HD13 LEU 76 14.481 -4.548 -1.748 559 1HD2 LEU 76 HD21 LEU 76 13.124 -5.257 -5.114 560 2HD2 LEU 76 HD22 LEU 76 11.429 -5.286 -4.622 561 3HD2 LEU 76 HD23 LEU 76 12.509 -6.615 -4.178 562 H GLY 77 HN GLY 77 7.893 -5.670 -2.187 563 1HA GLY 77 HA2 GLY 77 7.646 -5.771 0.698 564 2HA GLY 77 HA1 GLY 77 6.348 -5.970 -0.454 565 H PHE 78 HN PHE 78 8.660 -7.545 1.536 566 HA PHE 78 HA PHE 78 8.299 -10.123 0.292 567 1HB PHE 78 HB2 PHE 78 9.759 -9.230 2.781 568 2HB PHE 78 HB1 PHE 78 9.637 -10.926 2.305 569 HD1 PHE 78 HD1 PHE 78 10.860 -11.776 0.392 570 HD2 PHE 78 HD2 PHE 78 11.122 -7.661 1.488 571 HE1 PHE 78 HE1 PHE 78 12.813 -11.495 -1.084 572 HE2 PHE 78 HE2 PHE 78 13.079 -7.391 0.034 573 HZ PHE 78 HZ PHE 78 13.920 -9.289 -1.271 574 H GLU 79 HN GLU 79 6.306 -8.304 2.010 575 HA GLU 79 HA GLU 79 5.200 -10.353 3.712 576 1HB GLU 79 HB2 GLU 79 4.988 -8.003 4.355 577 2HB GLU 79 HB1 GLU 79 4.096 -7.655 2.868 578 1HG GLU 79 HG2 GLU 79 2.291 -9.124 3.602 579 2HG GLU 79 HG1 GLU 79 3.178 -9.515 5.065 580 H GLU 80 HN GLU 80 4.811 -12.034 2.305 581 HA GLU 80 HA GLU 80 3.939 -13.218 0.570 582 1HB GLU 80 HB2 GLU 80 1.437 -13.304 0.683 583 2HB GLU 80 HB1 GLU 80 2.265 -13.596 2.201 584 1HG GLU 80 HG2 GLU 80 1.794 -11.255 2.848 585 2HG GLU 80 HG1 GLU 80 0.865 -11.058 1.357 Start of MODEL 6 1 H MET 4 HN MET 4 12.228 0.124 -15.841 2 HA MET 4 HA MET 4 11.775 -1.991 -13.819 3 1HB MET 4 HB2 MET 4 13.269 0.588 -13.574 4 2HB MET 4 HB1 MET 4 12.326 0.059 -12.192 5 1HG MET 4 HG2 MET 4 14.555 -0.700 -11.894 6 2HG MET 4 HG1 MET 4 13.554 -2.109 -12.256 7 1HE MET 4 HE1 MET 4 15.780 -3.461 -12.708 8 2HE MET 4 HE2 MET 4 16.800 -2.055 -12.411 9 3HE MET 4 HE3 MET 4 17.006 -3.002 -13.876 10 H ARG 5 HN ARG 5 10.322 -1.191 -12.008 11 HA ARG 5 HA ARG 5 7.851 -0.471 -13.218 12 1HB ARG 5 HB2 ARG 5 8.405 -0.583 -10.252 13 2HB ARG 5 HB1 ARG 5 6.889 -0.901 -11.088 14 1HG ARG 5 HG2 ARG 5 7.909 -2.900 -12.113 15 2HG ARG 5 HG1 ARG 5 9.387 -2.619 -11.160 16 1HD ARG 5 HD2 ARG 5 7.891 -2.729 -9.117 17 2HD ARG 5 HD1 ARG 5 6.591 -3.279 -10.175 18 HE ARG 5 HE ARG 5 8.860 -4.784 -9.243 19 1HH1 ARG 5 HH11 ARG 5 6.469 -4.500 -11.797 20 2HH1 ARG 5 HH12 ARG 5 6.558 -6.194 -12.243 21 1HH2 ARG 5 HH21 ARG 5 8.989 -7.007 -9.833 22 2HH2 ARG 5 HH22 ARG 5 7.999 -7.604 -11.134 23 H SER 6 HN SER 6 10.241 1.241 -11.335 24 HA SER 6 HA SER 6 8.574 3.330 -10.414 25 1HB SER 6 HB2 SER 6 11.579 3.366 -10.677 26 2HB SER 6 HB1 SER 6 10.593 4.321 -9.575 27 HG SER 6 HG SER 6 10.936 1.514 -9.552 28 H GLU 7 HN GLU 7 9.377 2.838 -13.542 29 HA GLU 7 HA GLU 7 10.369 5.427 -14.251 30 1HB GLU 7 HB2 GLU 7 9.350 3.120 -15.893 31 2HB GLU 7 HB1 GLU 7 9.877 4.624 -16.607 32 1HG GLU 7 HG2 GLU 7 12.088 4.338 -15.618 33 2HG GLU 7 HG1 GLU 7 11.558 2.799 -14.902 34 H PHE 8 HN PHE 8 7.348 3.855 -15.316 35 HA PHE 8 HA PHE 8 5.362 4.744 -16.010 36 1HB PHE 8 HB2 PHE 8 6.051 6.378 -13.591 37 2HB PHE 8 HB1 PHE 8 4.606 6.785 -14.520 38 HD1 PHE 8 HD1 PHE 8 2.691 5.381 -14.488 39 HD2 PHE 8 HD2 PHE 8 6.226 4.237 -12.408 40 HE1 PHE 8 HE1 PHE 8 1.409 3.654 -13.294 41 HE2 PHE 8 HE2 PHE 8 4.959 2.478 -11.227 42 HZ PHE 8 HZ PHE 8 2.559 2.183 -11.686 43 H ALA 9 HN ALA 9 4.445 7.422 -16.029 44 HA ALA 9 HA ALA 9 5.798 8.492 -18.306 45 1HB ALA 9 HB1 ALA 9 4.215 10.364 -18.121 46 2HB ALA 9 HB2 ALA 9 3.680 9.747 -16.550 47 3HB ALA 9 HB3 ALA 9 3.398 8.793 -18.012 48 H SER 10 HN SER 10 5.513 9.510 -14.938 49 HA SER 10 HA SER 10 8.054 10.948 -15.249 50 1HB SER 10 HB2 SER 10 5.677 11.948 -13.652 51 2HB SER 10 HB1 SER 10 7.222 12.787 -13.892 52 HG SER 10 HG SER 10 6.682 13.269 -15.900 53 H GLY 11 HN GLY 11 6.583 8.478 -13.833 54 1HA GLY 11 HA2 GLY 11 7.235 7.077 -12.130 55 2HA GLY 11 HA1 GLY 11 8.513 8.226 -11.738 56 H ASN 12 HN ASN 12 5.893 10.063 -11.858 57 HA ASN 12 HA ASN 12 5.831 10.375 -9.030 58 1HB ASN 12 HB2 ASN 12 4.084 11.635 -11.156 59 2HB ASN 12 HB1 ASN 12 4.106 12.103 -9.455 60 1HD2 ASN 12 HD21 ASN 12 4.699 13.680 -11.793 61 2HD2 ASN 12 HD22 ASN 12 6.325 14.244 -11.589 62 H THR 13 HN THR 13 3.890 8.623 -11.350 63 HA THR 13 HA THR 13 1.631 8.275 -9.690 64 HB THR 13 HB THR 13 2.543 6.384 -11.853 65 HG1 THR 13 HG1 THR 13 1.513 9.020 -12.033 66 1HG2 THR 13 HG21 THR 13 0.134 6.103 -12.194 67 2HG2 THR 13 HG22 THR 13 -0.178 7.230 -10.874 68 3HG2 THR 13 HG23 THR 13 0.619 5.690 -10.545 69 H TYR 14 HN TYR 14 4.668 6.588 -10.226 70 HA TYR 14 HA TYR 14 4.116 4.326 -8.624 71 1HB TYR 14 HB2 TYR 14 5.951 4.451 -10.309 72 2HB TYR 14 HB1 TYR 14 6.794 5.570 -9.273 73 HD1 TYR 14 HD1 TYR 14 5.454 2.122 -9.403 74 HD2 TYR 14 HD2 TYR 14 8.214 4.795 -7.576 75 HE1 TYR 14 HE1 TYR 14 6.495 0.224 -8.243 76 HE2 TYR 14 HE2 TYR 14 9.266 2.891 -6.396 77 HH TYR 14 HH TYR 14 8.753 -0.293 -7.206 78 H ALA 15 HN ALA 15 5.675 7.439 -8.000 79 HA ALA 15 HA ALA 15 6.326 7.148 -5.331 80 1HB ALA 15 HB1 ALA 15 5.343 9.650 -6.751 81 2HB ALA 15 HB2 ALA 15 7.008 9.070 -6.700 82 3HB ALA 15 HB3 ALA 15 6.212 9.597 -5.218 83 H LEU 16 HN LEU 16 3.227 7.868 -6.832 84 HA LEU 16 HA LEU 16 1.834 8.413 -4.424 85 1HB LEU 16 HB2 LEU 16 1.080 9.217 -6.606 86 2HB LEU 16 HB1 LEU 16 0.829 7.571 -7.135 87 HG LEU 16 HG LEU 16 -0.913 7.300 -5.405 88 1HD1 LEU 16 HD11 LEU 16 -0.474 10.250 -4.949 89 2HD1 LEU 16 HD12 LEU 16 -0.144 8.949 -3.806 90 3HD1 LEU 16 HD13 LEU 16 -1.793 9.286 -4.279 91 1HD2 LEU 16 HD21 LEU 16 -1.346 9.633 -7.278 92 2HD2 LEU 16 HD22 LEU 16 -2.611 8.666 -6.524 93 3HD2 LEU 16 HD23 LEU 16 -1.516 7.929 -7.695 94 H TYR 17 HN TYR 17 2.281 5.590 -6.453 95 HA TYR 17 HA TYR 17 0.546 3.855 -5.159 96 1HB TYR 17 HB2 TYR 17 1.374 3.378 -7.371 97 2HB TYR 17 HB1 TYR 17 3.029 3.308 -6.767 98 HD1 TYR 17 HD1 TYR 17 -0.238 1.578 -6.656 99 HD2 TYR 17 HD2 TYR 17 3.936 1.310 -5.913 100 HE1 TYR 17 HE1 TYR 17 -0.453 -0.845 -6.329 101 HE2 TYR 17 HE2 TYR 17 3.728 -1.131 -5.607 102 HH TYR 17 HH TYR 17 2.158 -2.808 -5.144 103 H VAL 18 HN VAL 18 4.069 4.128 -4.858 104 HA VAL 18 HA VAL 18 4.387 2.232 -2.887 105 HB VAL 18 HB VAL 18 6.524 3.361 -2.315 106 1HG1 VAL 18 HG11 VAL 18 6.428 1.758 -4.110 107 2HG1 VAL 18 HG12 VAL 18 7.539 3.051 -4.536 108 3HG1 VAL 18 HG13 VAL 18 5.923 3.003 -5.245 109 1HG2 VAL 18 HG21 VAL 18 7.238 5.286 -3.625 110 2HG2 VAL 18 HG22 VAL 18 5.840 5.667 -2.628 111 3HG2 VAL 18 HG23 VAL 18 5.638 5.379 -4.354 112 H ARG 19 HN ARG 19 3.400 5.574 -2.517 113 HA ARG 19 HA ARG 19 3.825 6.100 0.097 114 1HB ARG 19 HB2 ARG 19 2.060 7.035 -1.913 115 2HB ARG 19 HB1 ARG 19 1.136 6.857 -0.421 116 1HG ARG 19 HG2 ARG 19 3.705 8.393 -0.688 117 2HG ARG 19 HG1 ARG 19 2.094 9.106 -0.748 118 1HD ARG 19 HD2 ARG 19 2.782 9.443 1.452 119 2HD ARG 19 HD1 ARG 19 1.735 8.023 1.552 120 HE ARG 19 HE ARG 19 4.579 7.494 1.272 121 1HH1 ARG 19 HH11 ARG 19 1.850 7.895 3.444 122 2HH1 ARG 19 HH12 ARG 19 2.654 7.165 4.805 123 1HH2 ARG 19 HH21 ARG 19 5.624 6.493 3.037 124 2HH2 ARG 19 HH22 ARG 19 4.804 6.332 4.553 125 H ASP 20 HN ASP 20 1.046 4.194 -1.089 126 HA ASP 20 HA ASP 20 0.235 3.702 1.672 127 1HB ASP 20 HB2 ASP 20 -1.717 2.625 0.796 128 2HB ASP 20 HB1 ASP 20 -1.487 4.126 -0.085 129 H THR 21 HN THR 21 2.137 2.175 -0.744 130 HA THR 21 HA THR 21 1.633 -0.520 0.186 131 HB THR 21 HB THR 21 3.663 0.395 -1.893 132 HG1 THR 21 HG1 THR 21 1.005 0.570 -1.982 133 1HG2 THR 21 HG21 THR 21 3.423 -1.871 -2.749 134 2HG2 THR 21 HG22 THR 21 2.263 -2.256 -1.466 135 3HG2 THR 21 HG23 THR 21 3.952 -1.917 -1.071 136 H LEU 22 HN LEU 22 3.955 1.993 0.634 137 HA LEU 22 HA LEU 22 6.036 0.258 1.609 138 1HB LEU 22 HB2 LEU 22 5.725 3.166 1.201 139 2HB LEU 22 HB1 LEU 22 6.804 2.681 2.502 140 HG LEU 22 HG LEU 22 7.991 3.076 0.349 141 1HD1 LEU 22 HD11 LEU 22 9.309 1.034 0.391 142 2HD1 LEU 22 HD12 LEU 22 8.046 0.202 1.303 143 3HD1 LEU 22 HD13 LEU 22 8.913 1.556 2.031 144 1HD2 LEU 22 HD21 LEU 22 7.729 1.457 -1.446 145 2HD2 LEU 22 HD22 LEU 22 6.231 2.322 -1.151 146 3HD2 LEU 22 HD23 LEU 22 6.420 0.675 -0.560 147 H GLN 23 HN GLN 23 5.435 -0.870 3.285 148 HA GLN 23 HA GLN 23 4.576 0.518 5.713 149 1HB GLN 23 HB2 GLN 23 4.265 -2.191 4.677 150 2HB GLN 23 HB1 GLN 23 4.858 -2.180 6.328 151 1HG GLN 23 HG2 GLN 23 2.416 -2.330 6.228 152 2HG GLN 23 HG1 GLN 23 2.962 -0.882 7.065 153 1HE2 GLN 23 HE21 GLN 23 3.084 -1.119 3.619 154 2HE2 GLN 23 HE22 GLN 23 1.779 -0.041 3.286 155 HA PRO 24 HA PRO 24 8.688 0.775 7.362 156 1HB PRO 24 HB2 PRO 24 7.256 0.073 9.889 157 2HB PRO 24 HB1 PRO 24 8.382 1.397 9.549 158 1HG PRO 24 HG2 PRO 24 5.749 1.841 9.709 159 2HG PRO 24 HG1 PRO 24 6.780 2.701 8.537 160 1HD PRO 24 HD2 PRO 24 4.825 0.500 8.084 161 2HD PRO 24 HD1 PRO 24 5.287 1.849 7.027 162 H GLY 25 HN GLY 25 9.779 -0.969 6.627 163 1HA GLY 25 HA2 GLY 25 10.862 -3.007 7.687 164 2HA GLY 25 HA1 GLY 25 9.211 -3.582 7.884 165 H MET 26 HN MET 26 8.974 -2.057 5.062 166 HA MET 26 HA MET 26 9.286 -4.508 3.560 167 1HB MET 26 HB2 MET 26 7.320 -3.051 3.227 168 2HB MET 26 HB1 MET 26 8.360 -1.764 2.662 169 1HG MET 26 HG2 MET 26 7.387 -2.825 0.758 170 2HG MET 26 HG1 MET 26 9.093 -3.240 0.804 171 1HE MET 26 HE1 MET 26 5.440 -4.420 1.503 172 2HE MET 26 HE2 MET 26 6.198 -4.737 3.060 173 3HE MET 26 HE3 MET 26 5.677 -6.083 2.028 174 H ARG 27 HN ARG 27 10.954 -5.002 2.274 175 HA ARG 27 HA ARG 27 13.227 -3.233 2.281 176 1HB ARG 27 HB2 ARG 27 13.698 -5.541 2.590 177 2HB ARG 27 HB1 ARG 27 12.822 -5.994 1.127 178 1HG ARG 27 HG2 ARG 27 14.490 -5.187 -0.260 179 2HG ARG 27 HG1 ARG 27 15.192 -4.180 1.001 180 1HD ARG 27 HD2 ARG 27 15.187 -7.174 1.060 181 2HD ARG 27 HD1 ARG 27 16.519 -6.215 0.402 182 HE ARG 27 HE ARG 27 15.700 -5.559 3.112 183 1HH1 ARG 27 HH11 ARG 27 17.894 -7.402 1.096 184 2HH1 ARG 27 HH12 ARG 27 19.090 -7.579 2.353 185 1HH2 ARG 27 HH21 ARG 27 17.240 -5.748 4.734 186 2HH2 ARG 27 HH22 ARG 27 18.713 -6.645 4.460 187 H VAL 28 HN VAL 28 14.211 -2.226 0.624 188 HA VAL 28 HA VAL 28 12.665 -1.984 -1.891 189 HB VAL 28 HB VAL 28 13.294 0.375 -1.989 190 1HG1 VAL 28 HG11 VAL 28 11.937 -0.384 0.590 191 2HG1 VAL 28 HG12 VAL 28 11.163 -0.170 -0.975 192 3HG1 VAL 28 HG13 VAL 28 11.879 1.205 -0.148 193 1HG2 VAL 28 HG21 VAL 28 14.323 1.494 -0.082 194 2HG2 VAL 28 HG22 VAL 28 15.391 0.244 -0.718 195 3HG2 VAL 28 HG23 VAL 28 14.466 -0.047 0.754 196 H ARG 29 HN ARG 29 13.869 -1.369 -3.750 197 HA ARG 29 HA ARG 29 16.796 -1.806 -3.530 198 1HB ARG 29 HB2 ARG 29 15.406 -3.565 -4.788 199 2HB ARG 29 HB1 ARG 29 15.124 -2.309 -6.000 200 1HG ARG 29 HG2 ARG 29 17.400 -2.163 -6.537 201 2HG ARG 29 HG1 ARG 29 17.869 -3.177 -5.170 202 1HD ARG 29 HD2 ARG 29 16.660 -5.055 -6.182 203 2HD ARG 29 HD1 ARG 29 16.254 -4.030 -7.556 204 HE ARG 29 HE ARG 29 18.589 -3.980 -8.128 205 1HH1 ARG 29 HH11 ARG 29 17.674 -6.343 -5.727 206 2HH1 ARG 29 HH12 ARG 29 19.094 -7.326 -5.975 207 1HH2 ARG 29 HH21 ARG 29 20.505 -5.224 -8.411 208 2HH2 ARG 29 HH22 ARG 29 20.690 -6.689 -7.474 209 H MET 30 HN MET 30 18.067 -0.183 -4.223 210 HA MET 30 HA MET 30 16.904 2.151 -5.488 211 1HB MET 30 HB2 MET 30 18.865 2.164 -3.858 212 2HB MET 30 HB1 MET 30 19.845 1.451 -5.151 213 1HG MET 30 HG2 MET 30 20.288 3.767 -5.157 214 2HG MET 30 HG1 MET 30 19.259 3.450 -6.546 215 1HE MET 30 HE1 MET 30 18.853 6.103 -6.667 216 2HE MET 30 HE2 MET 30 19.815 6.369 -5.196 217 3HE MET 30 HE3 MET 30 18.198 7.048 -5.331 218 H LEU 31 HN LEU 31 16.288 1.908 -7.586 219 HA LEU 31 HA LEU 31 17.812 0.082 -9.241 220 1HB LEU 31 HB2 LEU 31 15.957 -0.059 -10.726 221 2HB LEU 31 HB1 LEU 31 15.384 -0.271 -9.090 222 HG LEU 31 HG LEU 31 13.706 0.977 -10.154 223 1HD1 LEU 31 HD11 LEU 31 13.658 3.149 -9.116 224 2HD1 LEU 31 HD12 LEU 31 15.383 3.056 -8.785 225 3HD1 LEU 31 HD13 LEU 31 14.272 1.937 -7.993 226 1HD2 LEU 31 HD21 LEU 31 14.880 1.545 -12.170 227 2HD2 LEU 31 HD22 LEU 31 15.850 2.727 -11.285 228 3HD2 LEU 31 HD23 LEU 31 14.126 2.990 -11.489 229 H ASP 32 HN ASP 32 17.593 3.380 -8.717 230 HA ASP 32 HA ASP 32 18.926 3.865 -11.301 231 1HB ASP 32 HB2 ASP 32 16.734 5.116 -10.985 232 2HB ASP 32 HB1 ASP 32 17.497 5.964 -9.635 233 H ASP 33 HN ASP 33 20.911 4.992 -11.222 234 HA ASP 33 HA ASP 33 22.236 4.604 -8.675 235 1HB ASP 33 HB2 ASP 33 23.191 3.829 -10.897 236 2HB ASP 33 HB1 ASP 33 23.512 5.529 -11.244 237 H TYR 34 HN TYR 34 23.447 6.174 -7.593 238 HA TYR 34 HA TYR 34 23.125 8.974 -8.248 239 1HB TYR 34 HB2 TYR 34 20.979 8.227 -7.131 240 2HB TYR 34 HB1 TYR 34 21.942 7.846 -5.702 241 HD1 TYR 34 HD1 TYR 34 22.105 9.457 -4.047 242 HD2 TYR 34 HD2 TYR 34 21.233 10.696 -8.023 243 HE1 TYR 34 HE1 TYR 34 21.821 11.754 -3.246 244 HE2 TYR 34 HE2 TYR 34 20.921 13.009 -7.238 245 HH TYR 34 HH TYR 34 21.909 14.050 -4.135 246 H GLU 35 HN GLU 35 24.550 10.314 -6.986 247 HA GLU 35 HA GLU 35 26.967 9.522 -6.310 248 1HB GLU 35 HB2 GLU 35 25.372 11.534 -4.735 249 2HB GLU 35 HB1 GLU 35 27.126 11.399 -4.716 250 1HG GLU 35 HG2 GLU 35 26.704 13.148 -6.159 251 2HG GLU 35 HG1 GLU 35 26.995 11.797 -7.233 252 H GLU 36 HN GLU 36 24.711 9.986 -3.581 253 HA GLU 36 HA GLU 36 26.429 8.696 -1.776 254 1HB GLU 36 HB2 GLU 36 23.563 9.569 -1.621 255 2HB GLU 36 HB1 GLU 36 24.367 8.776 -0.276 256 1HG GLU 36 HG2 GLU 36 24.372 11.179 0.022 257 2HG GLU 36 HG1 GLU 36 26.012 10.571 -0.199 258 H ILE 37 HN ILE 37 23.299 7.683 -3.088 259 HA ILE 37 HA ILE 37 23.853 4.923 -2.217 260 HB ILE 37 HB ILE 37 21.211 6.124 -3.063 261 1HG1 ILE 37 HG12 ILE 37 21.943 7.198 -1.029 262 2HG1 ILE 37 HG11 ILE 37 20.657 6.059 -0.638 263 1HG2 ILE 37 HG21 ILE 37 21.880 3.504 -1.742 264 2HG2 ILE 37 HG22 ILE 37 21.309 3.724 -3.393 265 3HG2 ILE 37 HG23 ILE 37 20.258 4.114 -2.035 266 1HD1 ILE 37 HD11 ILE 37 22.383 5.936 1.031 267 2HD1 ILE 37 HD12 ILE 37 23.603 5.643 -0.200 268 3HD1 ILE 37 HD13 ILE 37 22.357 4.444 0.115 269 H SER 38 HN SER 38 23.759 3.213 -3.754 270 HA SER 38 HA SER 38 24.112 4.276 -6.473 271 1HB SER 38 HB2 SER 38 25.487 1.886 -5.210 272 2HB SER 38 HB1 SER 38 25.788 2.531 -6.835 273 HG SER 38 HG SER 38 26.583 4.436 -5.882 274 H ALA 39 HN ALA 39 23.493 2.915 -8.226 275 HA ALA 39 HA ALA 39 21.085 1.565 -7.949 276 1HB ALA 39 HB1 ALA 39 21.846 2.489 -10.065 277 2HB ALA 39 HB2 ALA 39 21.427 0.782 -10.219 278 3HB ALA 39 HB3 ALA 39 23.126 1.265 -10.139 279 H GLY 40 HN GLY 40 20.576 -0.461 -7.314 280 1HA GLY 40 HA2 GLY 40 21.058 -2.796 -7.236 281 2HA GLY 40 HA1 GLY 40 22.774 -2.417 -7.201 282 H ASP 41 HN ASP 41 21.877 -0.182 -5.176 283 HA ASP 41 HA ASP 41 22.448 -1.686 -2.850 284 1HB ASP 41 HB2 ASP 41 22.896 0.834 -3.294 285 2HB ASP 41 HB1 ASP 41 21.231 1.060 -2.758 286 H GLU 42 HN GLU 42 21.102 -2.217 -1.135 287 HA GLU 42 HA GLU 42 18.223 -2.096 -1.668 288 1HB GLU 42 HB2 GLU 42 19.730 -4.561 -0.750 289 2HB GLU 42 HB1 GLU 42 17.991 -4.438 -1.009 290 1HG GLU 42 HG2 GLU 42 18.272 -4.179 -3.352 291 2HG GLU 42 HG1 GLU 42 20.017 -4.049 -3.178 292 H GLY 43 HN GLY 43 16.913 -2.171 0.278 293 1HA GLY 43 HA2 GLY 43 18.220 -2.234 2.829 294 2HA GLY 43 HA1 GLY 43 17.865 -0.602 2.306 295 H GLU 44 HN GLU 44 16.635 -0.723 4.343 296 HA GLU 44 HA GLU 44 14.010 -1.988 3.931 297 1HB GLU 44 HB2 GLU 44 15.699 -1.754 6.336 298 2HB GLU 44 HB1 GLU 44 14.005 -1.359 6.594 299 1HG GLU 44 HG2 GLU 44 14.204 -3.633 7.102 300 2HG GLU 44 HG1 GLU 44 13.464 -3.563 5.503 301 H PHE 45 HN PHE 45 12.143 -0.802 4.397 302 HA PHE 45 HA PHE 45 12.465 2.085 4.276 303 1HB PHE 45 HB2 PHE 45 10.774 1.137 2.842 304 2HB PHE 45 HB1 PHE 45 10.055 0.262 4.191 305 HD1 PHE 45 HD1 PHE 45 8.360 1.235 5.451 306 HD2 PHE 45 HD2 PHE 45 10.714 3.655 2.863 307 HE1 PHE 45 HE1 PHE 45 6.816 3.112 5.815 308 HE2 PHE 45 HE2 PHE 45 9.169 5.534 3.227 309 HZ PHE 45 HZ PHE 45 7.210 5.266 4.718 310 H ARG 46 HN ARG 46 12.631 3.244 6.100 311 HA ARG 46 HA ARG 46 11.791 2.044 8.615 312 1HB ARG 46 HB2 ARG 46 13.363 4.542 7.974 313 2HB ARG 46 HB1 ARG 46 12.925 4.056 9.603 314 1HG ARG 46 HG2 ARG 46 14.144 1.957 9.303 315 2HG ARG 46 HG1 ARG 46 14.650 2.496 7.702 316 1HD ARG 46 HD2 ARG 46 16.370 2.883 9.415 317 2HD ARG 46 HD1 ARG 46 15.814 4.389 8.694 318 HE ARG 46 HE ARG 46 14.302 3.864 11.016 319 1HH1 ARG 46 HH11 ARG 46 17.634 4.632 10.184 320 2HH1 ARG 46 HH12 ARG 46 17.876 5.570 11.624 321 1HH2 ARG 46 HH21 ARG 46 14.664 5.095 12.902 322 2HH2 ARG 46 HH22 ARG 46 16.217 5.850 13.145 323 H GLN 47 HN GLN 47 11.285 5.130 6.924 324 HA GLN 47 HA GLN 47 8.559 5.290 7.572 325 1HB GLN 47 HB2 GLN 47 8.516 7.076 9.226 326 2HB GLN 47 HB1 GLN 47 9.317 5.655 9.869 327 1HG GLN 47 HG2 GLN 47 10.942 7.856 8.680 328 2HG GLN 47 HG1 GLN 47 10.267 8.049 10.289 329 1HE2 GLN 47 HE21 GLN 47 13.045 7.881 9.435 330 2HE2 GLN 47 HE22 GLN 47 13.726 6.515 10.277 331 H SER 48 HN SER 48 7.653 7.546 7.187 332 HA SER 48 HA SER 48 9.333 9.017 5.260 333 1HB SER 48 HB2 SER 48 6.342 8.555 5.022 334 2HB SER 48 HB1 SER 48 7.389 9.351 3.836 335 HG SER 48 HG SER 48 8.289 6.875 4.470 336 H ASN 49 HN ASN 49 8.956 11.281 5.158 337 HA ASN 49 HA ASN 49 8.084 12.339 7.709 338 1HB ASN 49 HB2 ASN 49 9.265 13.734 5.279 339 2HB ASN 49 HB1 ASN 49 9.004 14.452 6.876 340 1HD2 ASN 49 HD21 ASN 49 10.942 12.298 4.975 341 2HD2 ASN 49 HD22 ASN 49 12.248 12.119 6.119 342 H ASN 50 HN ASN 50 5.955 12.538 7.900 343 HA ASN 50 HA ASN 50 3.775 13.032 7.492 344 1HB ASN 50 HB2 ASN 50 5.154 15.421 6.267 345 2HB ASN 50 HB1 ASN 50 3.411 15.340 6.581 346 1HD2 ASN 50 HD21 ASN 50 5.668 17.021 7.695 347 2HD2 ASN 50 HD22 ASN 50 5.513 16.859 9.413 348 H GLY 51 HN GLY 51 4.131 14.900 4.692 349 1HA GLY 51 HA2 GLY 51 3.644 12.636 2.907 350 2HA GLY 51 HA1 GLY 51 2.440 13.914 2.962 351 H VAL 52 HN VAL 52 5.963 14.064 3.033 352 HA VAL 52 HA VAL 52 5.858 15.740 0.622 353 HB VAL 52 HB VAL 52 7.943 16.835 1.504 354 1HG1 VAL 52 HG11 VAL 52 5.754 17.894 1.706 355 2HG1 VAL 52 HG12 VAL 52 6.775 18.293 3.080 356 3HG1 VAL 52 HG13 VAL 52 5.502 17.085 3.240 357 1HG2 VAL 52 HG21 VAL 52 8.630 15.086 3.036 358 2HG2 VAL 52 HG22 VAL 52 7.219 15.395 4.037 359 3HG2 VAL 52 HG23 VAL 52 8.465 16.632 3.873 360 HA PRO 53 HA PRO 53 8.831 13.357 -1.638 361 1HB PRO 53 HB2 PRO 53 10.984 15.364 -1.289 362 2HB PRO 53 HB1 PRO 53 10.316 14.661 -2.771 363 1HG PRO 53 HG2 PRO 53 9.745 17.160 -1.961 364 2HG PRO 53 HG1 PRO 53 8.581 16.164 -2.854 365 1HD PRO 53 HD2 PRO 53 8.632 16.928 0.013 366 2HD PRO 53 HD1 PRO 53 7.256 16.551 -1.032 367 HA PRO 54 HA PRO 54 12.741 12.954 1.253 368 1HB PRO 54 HB2 PRO 54 12.202 13.770 3.866 369 2HB PRO 54 HB1 PRO 54 13.260 14.592 2.714 370 1HG PRO 54 HG2 PRO 54 10.428 15.150 3.452 371 2HG PRO 54 HG1 PRO 54 11.723 16.274 3.007 372 1HD PRO 54 HD2 PRO 54 9.730 15.645 1.308 373 2HD PRO 54 HD1 PRO 54 11.378 15.961 0.744 374 H VAL 55 HN VAL 55 12.723 10.922 1.568 375 HA VAL 55 HA VAL 55 10.805 9.697 3.425 376 HB VAL 55 HB VAL 55 10.107 9.126 1.149 377 1HG1 VAL 55 HG11 VAL 55 12.853 7.928 0.848 378 2HG1 VAL 55 HG12 VAL 55 12.181 9.288 -0.063 379 3HG1 VAL 55 HG13 VAL 55 11.502 7.666 -0.263 380 1HG2 VAL 55 HG21 VAL 55 10.094 6.682 1.397 381 2HG2 VAL 55 HG22 VAL 55 9.723 7.517 2.910 382 3HG2 VAL 55 HG23 VAL 55 11.326 6.821 2.650 383 H GLN 56 HN GLN 56 11.732 8.172 4.835 384 HA GLN 56 HA GLN 56 14.653 8.356 4.814 385 1HB GLN 56 HB2 GLN 56 13.319 9.274 6.764 386 2HB GLN 56 HB1 GLN 56 12.904 7.600 7.162 387 1HG GLN 56 HG2 GLN 56 14.754 8.216 8.537 388 2HG GLN 56 HG1 GLN 56 15.376 7.131 7.283 389 1HE2 GLN 56 HE21 GLN 56 16.806 9.033 8.869 390 2HE2 GLN 56 HE22 GLN 56 17.558 10.149 7.762 391 H VAL 57 HN VAL 57 15.566 6.648 3.964 392 HA VAL 57 HA VAL 57 14.487 3.967 4.548 393 HB VAL 57 HB VAL 57 15.815 4.908 1.974 394 1HG1 VAL 57 HG11 VAL 57 14.679 2.180 2.701 395 2HG1 VAL 57 HG12 VAL 57 16.378 2.587 2.484 396 3HG1 VAL 57 HG13 VAL 57 15.288 2.676 1.105 397 1HG2 VAL 57 HG21 VAL 57 12.947 4.152 2.569 398 2HG2 VAL 57 HG22 VAL 57 13.606 4.471 0.953 399 3HG2 VAL 57 HG23 VAL 57 13.562 5.753 2.179 400 H PHE 58 HN PHE 58 15.994 2.451 5.183 401 HA PHE 58 HA PHE 58 18.723 3.407 5.584 402 1HB PHE 58 HB2 PHE 58 17.398 2.442 7.541 403 2HB PHE 58 HB1 PHE 58 17.472 0.887 6.704 404 HD1 PHE 58 HD1 PHE 58 19.382 3.398 8.548 405 HD2 PHE 58 HD2 PHE 58 19.537 -0.349 6.546 406 HE1 PHE 58 HE1 PHE 58 21.578 2.932 9.563 407 HE2 PHE 58 HE2 PHE 58 21.719 -0.825 7.578 408 HZ PHE 58 HZ PHE 58 22.753 0.820 9.101 409 H TRP 59 HN TRP 59 20.260 2.762 4.283 410 HA TRP 59 HA TRP 59 19.679 0.609 2.386 411 1HB TRP 59 HB2 TRP 59 21.698 2.839 2.245 412 2HB TRP 59 HB1 TRP 59 21.476 1.620 1.022 413 HD1 TRP 59 HD1 TRP 59 20.091 4.885 2.208 414 HE1 TRP 59 HE1 TRP 59 18.153 5.612 0.675 415 HE3 TRP 59 HE3 TRP 59 19.487 0.568 -0.451 416 HZ2 TRP 59 HZ2 TRP 59 16.579 4.502 -1.361 417 HZ3 TRP 59 HZ3 TRP 59 17.733 0.480 -2.174 418 HH2 TRP 59 HH2 TRP 59 16.308 2.406 -2.627 419 H GLU 60 HN GLU 60 20.811 -1.243 2.397 420 HA GLU 60 HA GLU 60 22.321 -1.800 4.715 421 1HB GLU 60 HB2 GLU 60 21.720 -3.483 2.286 422 2HB GLU 60 HB1 GLU 60 22.517 -4.092 3.731 423 1HG GLU 60 HG2 GLU 60 19.758 -2.891 3.665 424 2HG GLU 60 HG1 GLU 60 20.102 -4.632 3.626 425 H SER 61 HN SER 61 23.236 -1.335 1.321 426 HA SER 61 HA SER 61 25.844 -2.375 1.628 427 1HB SER 61 HB2 SER 61 25.009 -0.344 -0.430 428 2HB SER 61 HB1 SER 61 26.247 -1.596 -0.571 429 HG SER 61 HG SER 61 23.479 -1.780 -0.792 430 H THR 62 HN THR 62 24.493 0.863 1.838 431 HA THR 62 HA THR 62 27.077 2.061 2.415 432 HB THR 62 HB THR 62 24.380 3.350 2.793 433 HG1 THR 62 HG1 THR 62 24.201 2.888 0.692 434 1HG2 THR 62 HG21 THR 62 25.607 5.408 2.317 435 2HG2 THR 62 HG22 THR 62 27.091 4.482 2.085 436 3HG2 THR 62 HG23 THR 62 26.333 4.551 3.674 437 H GLY 63 HN GLY 63 24.346 0.858 4.116 438 1HA GLY 63 HA2 GLY 63 24.020 0.305 6.346 439 2HA GLY 63 HA1 GLY 63 25.736 0.671 6.614 440 H ARG 64 HN ARG 64 23.615 2.990 5.204 441 HA ARG 64 HA ARG 64 23.416 4.484 7.717 442 1HB ARG 64 HB2 ARG 64 24.561 5.448 5.115 443 2HB ARG 64 HB1 ARG 64 23.680 6.580 6.142 444 1HG ARG 64 HG2 ARG 64 25.979 6.832 6.640 445 2HG ARG 64 HG1 ARG 64 25.250 5.978 7.991 446 1HD ARG 64 HD2 ARG 64 26.104 3.868 7.150 447 2HD ARG 64 HD1 ARG 64 26.757 4.676 5.723 448 HE ARG 64 HE ARG 64 27.752 5.692 8.238 449 1HH1 ARG 64 HH11 ARG 64 28.215 3.331 5.697 450 2HH1 ARG 64 HH12 ARG 64 29.917 3.168 6.005 451 1HH2 ARG 64 HH21 ARG 64 29.991 5.451 8.665 452 2HH2 ARG 64 HH22 ARG 64 30.922 4.366 7.674 453 H THR 65 HN THR 65 21.525 5.781 7.908 454 HA THR 65 HA THR 65 19.413 5.115 6.089 455 HB THR 65 HB THR 65 19.143 7.300 8.142 456 HG1 THR 65 HG1 THR 65 19.892 5.998 9.629 457 1HG2 THR 65 HG21 THR 65 16.946 6.263 8.461 458 2HG2 THR 65 HG22 THR 65 17.402 4.950 7.373 459 3HG2 THR 65 HG23 THR 65 17.231 6.599 6.744 460 H TYR 66 HN TYR 66 18.355 6.571 4.750 461 HA TYR 66 HA TYR 66 19.608 9.164 4.249 462 1HB TYR 66 HB2 TYR 66 21.012 7.635 2.964 463 2HB TYR 66 HB1 TYR 66 19.590 6.990 2.137 464 HD1 TYR 66 HD1 TYR 66 21.339 10.255 2.718 465 HD2 TYR 66 HD2 TYR 66 19.028 7.847 0.074 466 HE1 TYR 66 HE1 TYR 66 21.556 11.954 0.974 467 HE2 TYR 66 HE2 TYR 66 19.233 9.552 -1.665 468 HH TYR 66 HH TYR 66 19.642 12.011 -1.808 469 H TRP 67 HN TRP 67 18.346 10.591 3.084 470 HA TRP 67 HA TRP 67 15.555 9.736 2.794 471 1HB TRP 67 HB2 TRP 67 15.602 12.447 2.254 472 2HB TRP 67 HB1 TRP 67 15.211 11.714 3.804 473 HD1 TRP 67 HD1 TRP 67 16.945 11.938 5.775 474 HE1 TRP 67 HE1 TRP 67 19.053 13.401 6.083 475 HE3 TRP 67 HE3 TRP 67 17.610 13.487 0.934 476 HZ2 TRP 67 HZ2 TRP 67 20.771 14.978 4.486 477 HZ3 TRP 67 HZ3 TRP 67 19.499 14.957 0.414 478 HH2 TRP 67 HH2 TRP 67 21.041 15.695 2.151 479 H VAL 68 HN VAL 68 14.893 9.163 0.856 480 HA VAL 68 HA VAL 68 16.466 9.963 -1.491 481 HB VAL 68 HB VAL 68 14.504 7.673 -1.408 482 1HG1 VAL 68 HG11 VAL 68 16.979 8.179 -3.033 483 2HG1 VAL 68 HG12 VAL 68 15.318 8.333 -3.605 484 3HG1 VAL 68 HG13 VAL 68 15.956 6.753 -3.154 485 1HG2 VAL 68 HG21 VAL 68 16.026 7.336 0.476 486 2HG2 VAL 68 HG22 VAL 68 17.412 7.501 -0.622 487 3HG2 VAL 68 HG23 VAL 68 16.285 6.157 -0.814 488 H HIS 69 HN HIS 69 15.120 10.197 -3.557 489 HA HIS 69 HA HIS 69 12.542 11.441 -3.002 490 1HB HIS 69 HB2 HIS 69 14.162 11.114 -5.538 491 2HB HIS 69 HB1 HIS 69 12.509 11.756 -5.548 492 HD1 HIS 69 HD1 HIS 69 12.261 14.201 -5.136 493 HD2 HIS 69 HD2 HIS 69 16.007 12.783 -4.007 494 HE1 HIS 69 HE1 HIS 69 13.623 16.241 -4.574 495 HE2 HIS 69 HE2 HIS 69 15.905 15.374 -3.932 496 H TRP 70 HN TRP 70 10.579 10.483 -3.528 497 HA TRP 70 HA TRP 70 10.303 7.836 -3.063 498 1HB TRP 70 HB2 TRP 70 8.484 9.683 -4.596 499 2HB TRP 70 HB1 TRP 70 8.017 8.056 -4.132 500 HD1 TRP 70 HD1 TRP 70 8.403 11.537 -2.710 501 HE1 TRP 70 HE1 TRP 70 7.570 11.556 -0.268 502 HE3 TRP 70 HE3 TRP 70 7.867 6.502 -2.003 503 HZ2 TRP 70 HZ2 TRP 70 6.813 9.693 1.680 504 HZ3 TRP 70 HZ3 TRP 70 7.055 5.711 0.174 505 HH2 TRP 70 HH2 TRP 70 6.554 7.261 1.981 506 H HIS 71 HN HIS 71 10.327 9.263 -6.324 507 HA HIS 71 HA HIS 71 9.834 6.746 -7.601 508 1HB HIS 71 HB2 HIS 71 9.917 7.874 -9.653 509 2HB HIS 71 HB1 HIS 71 9.323 9.080 -8.519 510 HD1 HIS 71 HD1 HIS 71 11.948 8.474 -10.978 511 HD2 HIS 71 HD2 HIS 71 11.409 11.010 -7.720 512 HE1 HIS 71 HE1 HIS 71 13.661 10.297 -11.227 513 HE2 HIS 71 HE2 HIS 71 13.451 11.692 -9.138 514 H MET 72 HN MET 72 12.571 7.682 -6.019 515 HA MET 72 HA MET 72 14.449 6.651 -7.987 516 1HB MET 72 HB2 MET 72 14.912 7.659 -5.177 517 2HB MET 72 HB1 MET 72 16.171 7.217 -6.325 518 1HG MET 72 HG2 MET 72 14.155 9.423 -6.705 519 2HG MET 72 HG1 MET 72 15.803 9.657 -6.136 520 1HE MET 72 HE1 MET 72 17.397 7.568 -7.848 521 2HE MET 72 HE2 MET 72 17.967 9.225 -7.628 522 3HE MET 72 HE3 MET 72 17.902 8.516 -9.238 523 H LEU 73 HN LEU 73 12.560 5.443 -5.418 524 HA LEU 73 HA LEU 73 14.373 3.140 -5.156 525 1HB LEU 73 HB2 LEU 73 13.324 2.811 -2.922 526 2HB LEU 73 HB1 LEU 73 14.327 4.233 -3.056 527 HG LEU 73 HG LEU 73 11.952 5.356 -3.559 528 1HD1 LEU 73 HD11 LEU 73 11.289 2.985 -1.819 529 2HD1 LEU 73 HD12 LEU 73 10.651 3.327 -3.423 530 3HD1 LEU 73 HD13 LEU 73 10.251 4.380 -2.075 531 1HD2 LEU 73 HD21 LEU 73 12.959 4.686 -0.802 532 2HD2 LEU 73 HD22 LEU 73 11.880 6.017 -1.237 533 3HD2 LEU 73 HD23 LEU 73 13.541 6.002 -1.818 534 H GLU 74 HN GLU 74 13.615 1.192 -5.595 535 HA GLU 74 HA GLU 74 10.723 0.926 -6.157 536 1HB GLU 74 HB2 GLU 74 12.213 0.886 -8.166 537 2HB GLU 74 HB1 GLU 74 13.015 -0.534 -7.498 538 1HG GLU 74 HG2 GLU 74 11.091 -1.871 -7.737 539 2HG GLU 74 HG1 GLU 74 10.052 -0.453 -8.060 540 H ILE 75 HN ILE 75 9.910 -0.121 -4.421 541 HA ILE 75 HA ILE 75 11.085 -1.824 -2.701 542 HB ILE 75 HB ILE 75 8.832 -2.853 -2.359 543 1HG1 ILE 75 HG12 ILE 75 8.065 -0.865 -4.531 544 2HG1 ILE 75 HG11 ILE 75 7.949 -2.624 -4.637 545 1HG2 ILE 75 HG21 ILE 75 9.033 0.145 -2.354 546 2HG2 ILE 75 HG22 ILE 75 9.614 -0.951 -1.103 547 3HG2 ILE 75 HG23 ILE 75 7.881 -0.820 -1.425 548 1HD1 ILE 75 HD11 ILE 75 6.267 -2.629 -2.879 549 2HD1 ILE 75 HD12 ILE 75 5.778 -1.613 -4.242 550 3HD1 ILE 75 HD13 ILE 75 6.380 -0.871 -2.755 551 H LEU 76 HN LEU 76 11.791 -3.776 -2.584 552 HA LEU 76 HA LEU 76 11.331 -5.613 -4.819 553 1HB LEU 76 HB2 LEU 76 13.667 -4.911 -4.005 554 2HB LEU 76 HB1 LEU 76 13.345 -5.918 -2.610 555 HG LEU 76 HG LEU 76 13.136 -7.873 -4.082 556 1HD1 LEU 76 HD11 LEU 76 12.305 -6.749 -6.087 557 2HD1 LEU 76 HD12 LEU 76 13.750 -7.715 -6.432 558 3HD1 LEU 76 HD13 LEU 76 13.877 -5.960 -6.269 559 1HD2 LEU 76 HD21 LEU 76 15.494 -7.989 -4.763 560 2HD2 LEU 76 HD22 LEU 76 15.302 -7.359 -3.121 561 3HD2 LEU 76 HD23 LEU 76 15.634 -6.261 -4.461 562 H GLY 77 HN GLY 77 11.019 -5.095 -1.387 563 1HA GLY 77 HA2 GLY 77 9.761 -6.071 0.233 564 2HA GLY 77 HA1 GLY 77 8.695 -6.541 -1.090 565 H PHE 78 HN PHE 78 8.129 -8.479 -0.159 566 HA PHE 78 HA PHE 78 10.204 -10.460 0.322 567 1HB PHE 78 HB2 PHE 78 7.184 -10.654 0.555 568 2HB PHE 78 HB1 PHE 78 8.323 -11.933 0.974 569 HD1 PHE 78 HD1 PHE 78 6.756 -8.860 2.043 570 HD2 PHE 78 HD2 PHE 78 9.881 -11.630 2.879 571 HE1 PHE 78 HE1 PHE 78 6.952 -7.940 4.309 572 HE2 PHE 78 HE2 PHE 78 10.070 -10.715 5.168 573 HZ PHE 78 HZ PHE 78 8.588 -8.889 5.871 574 H GLU 79 HN GLU 79 9.370 -9.255 -2.349 575 HA GLU 79 HA GLU 79 8.501 -11.586 -3.832 576 1HB GLU 79 HB2 GLU 79 9.141 -8.762 -4.675 577 2HB GLU 79 HB1 GLU 79 8.732 -10.037 -5.818 578 1HG GLU 79 HG2 GLU 79 6.762 -8.777 -5.425 579 2HG GLU 79 HG1 GLU 79 6.571 -10.329 -4.625 580 H GLU 80 HN GLU 80 11.305 -10.857 -2.510 581 HA GLU 80 HA GLU 80 13.181 -11.070 -4.610 582 1HB GLU 80 HB2 GLU 80 13.485 -11.905 -1.711 583 2HB GLU 80 HB1 GLU 80 14.791 -11.714 -2.870 584 1HG GLU 80 HG2 GLU 80 14.171 -9.334 -3.087 585 2HG GLU 80 HG1 GLU 80 12.988 -9.565 -1.798 Start of MODEL 7 1 H MET 4 HN MET 4 8.061 0.180 -16.335 2 HA MET 4 HA MET 4 10.347 1.859 -15.634 3 1HB MET 4 HB2 MET 4 8.199 2.155 -17.740 4 2HB MET 4 HB1 MET 4 9.491 3.325 -17.479 5 1HG MET 4 HG2 MET 4 11.156 1.643 -18.014 6 2HG MET 4 HG1 MET 4 9.874 0.449 -18.277 7 1HE MET 4 HE1 MET 4 8.200 0.508 -20.343 8 2HE MET 4 HE2 MET 4 8.084 1.890 -21.447 9 3HE MET 4 HE3 MET 4 7.658 2.085 -19.744 10 H ARG 5 HN ARG 5 10.220 3.512 -14.273 11 HA ARG 5 HA ARG 5 7.893 4.153 -12.858 12 1HB ARG 5 HB2 ARG 5 9.210 6.069 -11.993 13 2HB ARG 5 HB1 ARG 5 10.073 4.544 -11.882 14 1HG ARG 5 HG2 ARG 5 11.384 5.102 -13.856 15 2HG ARG 5 HG1 ARG 5 10.506 6.637 -14.007 16 1HD ARG 5 HD2 ARG 5 11.361 7.371 -11.856 17 2HD ARG 5 HD1 ARG 5 12.144 5.814 -11.597 18 HE ARG 5 HE ARG 5 12.972 7.239 -14.003 19 1HH1 ARG 5 HH11 ARG 5 13.582 6.575 -10.630 20 2HH1 ARG 5 HH12 ARG 5 15.270 6.990 -10.721 21 1HH2 ARG 5 HH21 ARG 5 15.191 7.849 -14.112 22 2HH2 ARG 5 HH22 ARG 5 16.188 7.706 -12.695 23 H SER 6 HN SER 6 9.349 5.469 -15.733 24 HA SER 6 HA SER 6 7.515 7.728 -15.784 25 1HB SER 6 HB2 SER 6 9.675 6.930 -17.761 26 2HB SER 6 HB1 SER 6 8.793 8.443 -17.755 27 HG SER 6 HG SER 6 10.913 7.657 -16.209 28 H GLU 7 HN GLU 7 6.938 4.672 -16.325 29 HA GLU 7 HA GLU 7 5.774 4.711 -18.970 30 1HB GLU 7 HB2 GLU 7 6.563 2.630 -17.723 31 2HB GLU 7 HB1 GLU 7 5.126 2.794 -16.721 32 1HG GLU 7 HG2 GLU 7 3.885 2.839 -19.013 33 2HG GLU 7 HG1 GLU 7 5.367 2.054 -19.604 34 H PHE 8 HN PHE 8 4.844 5.623 -15.804 35 HA PHE 8 HA PHE 8 2.007 5.454 -16.130 36 1HB PHE 8 HB2 PHE 8 3.714 6.928 -14.112 37 2HB PHE 8 HB1 PHE 8 1.954 6.789 -14.015 38 HD1 PHE 8 HD1 PHE 8 0.905 4.662 -13.487 39 HD2 PHE 8 HD2 PHE 8 5.149 5.078 -13.558 40 HE1 PHE 8 HE1 PHE 8 1.134 2.542 -12.248 41 HE2 PHE 8 HE2 PHE 8 5.385 2.959 -12.361 42 HZ PHE 8 HZ PHE 8 3.386 1.682 -11.687 43 H ALA 9 HN ALA 9 0.729 7.615 -15.616 44 HA ALA 9 HA ALA 9 0.893 9.070 -18.033 45 1HB ALA 9 HB1 ALA 9 -0.909 10.416 -17.142 46 2HB ALA 9 HB2 ALA 9 -0.580 9.848 -15.514 47 3HB ALA 9 HB3 ALA 9 -1.185 8.721 -16.728 48 H SER 10 HN SER 10 1.725 10.001 -14.702 49 HA SER 10 HA SER 10 3.215 12.279 -15.803 50 1HB SER 10 HB2 SER 10 1.984 11.947 -13.065 51 2HB SER 10 HB1 SER 10 2.937 13.349 -13.582 52 HG SER 10 HG SER 10 0.403 12.461 -14.538 53 H GLY 11 HN GLY 11 3.562 9.270 -14.352 54 1HA GLY 11 HA2 GLY 11 5.547 8.197 -13.742 55 2HA GLY 11 HA1 GLY 11 6.386 9.742 -13.878 56 H ASN 12 HN ASN 12 4.639 11.210 -12.139 57 HA ASN 12 HA ASN 12 5.702 10.704 -9.612 58 1HB ASN 12 HB2 ASN 12 3.197 12.211 -10.400 59 2HB ASN 12 HB1 ASN 12 3.896 12.235 -8.778 60 1HD2 ASN 12 HD21 ASN 12 4.266 14.417 -8.817 61 2HD2 ASN 12 HD22 ASN 12 5.499 15.151 -9.788 62 H THR 13 HN THR 13 2.945 9.397 -11.224 63 HA THR 13 HA THR 13 1.444 8.288 -9.244 64 HB THR 13 HB THR 13 1.843 6.428 -11.416 65 HG1 THR 13 HG1 THR 13 0.896 8.715 -12.566 66 1HG2 THR 13 HG21 THR 13 -0.527 6.909 -11.843 67 2HG2 THR 13 HG22 THR 13 -0.456 8.267 -10.721 68 3HG2 THR 13 HG23 THR 13 -0.239 6.611 -10.130 69 H TYR 14 HN TYR 14 4.519 7.215 -10.557 70 HA TYR 14 HA TYR 14 4.619 4.697 -9.339 71 1HB TYR 14 HB2 TYR 14 6.101 5.386 -11.194 72 2HB TYR 14 HB1 TYR 14 6.882 6.542 -10.135 73 HD1 TYR 14 HD1 TYR 14 6.165 2.907 -10.462 74 HD2 TYR 14 HD2 TYR 14 8.762 5.906 -8.952 75 HE1 TYR 14 HE1 TYR 14 7.760 1.156 -9.784 76 HE2 TYR 14 HE2 TYR 14 10.378 4.175 -8.278 77 HH TYR 14 HH TYR 14 10.352 1.777 -7.707 78 H ALA 15 HN ALA 15 6.018 7.811 -8.384 79 HA ALA 15 HA ALA 15 7.045 7.102 -5.929 80 1HB ALA 15 HB1 ALA 15 6.961 9.473 -5.419 81 2HB ALA 15 HB2 ALA 15 5.850 9.744 -6.766 82 3HB ALA 15 HB3 ALA 15 7.513 9.216 -7.072 83 H LEU 16 HN LEU 16 3.749 7.902 -6.822 84 HA LEU 16 HA LEU 16 2.787 8.100 -4.167 85 1HB LEU 16 HB2 LEU 16 1.613 9.162 -6.026 86 2HB LEU 16 HB1 LEU 16 1.304 7.595 -6.756 87 HG LEU 16 HG LEU 16 -0.069 6.976 -4.787 88 1HD1 LEU 16 HD11 LEU 16 0.910 8.437 -3.140 89 2HD1 LEU 16 HD12 LEU 16 -0.819 8.763 -3.277 90 3HD1 LEU 16 HD13 LEU 16 0.343 9.853 -4.033 91 1HD2 LEU 16 HD21 LEU 16 -1.981 8.435 -5.377 92 2HD2 LEU 16 HD22 LEU 16 -1.139 7.780 -6.791 93 3HD2 LEU 16 HD23 LEU 16 -0.878 9.453 -6.300 94 H TYR 17 HN TYR 17 2.915 5.579 -6.613 95 HA TYR 17 HA TYR 17 1.479 3.605 -5.307 96 1HB TYR 17 HB2 TYR 17 2.108 3.442 -7.642 97 2HB TYR 17 HB1 TYR 17 3.807 3.342 -7.214 98 HD1 TYR 17 HD1 TYR 17 0.570 1.576 -6.577 99 HD2 TYR 17 HD2 TYR 17 4.777 1.241 -7.101 100 HE1 TYR 17 HE1 TYR 17 0.371 -0.863 -6.501 101 HE2 TYR 17 HE2 TYR 17 4.600 -1.200 -7.031 102 HH TYR 17 HH TYR 17 3.107 -2.930 -6.259 103 H VAL 18 HN VAL 18 4.981 4.146 -5.382 104 HA VAL 18 HA VAL 18 5.640 2.085 -3.571 105 HB VAL 18 HB VAL 18 7.844 3.124 -3.342 106 1HG1 VAL 18 HG11 VAL 18 8.448 3.175 -5.737 107 2HG1 VAL 18 HG12 VAL 18 6.729 3.159 -6.138 108 3HG1 VAL 18 HG13 VAL 18 7.458 1.785 -5.291 109 1HG2 VAL 18 HG21 VAL 18 8.383 5.238 -4.426 110 2HG2 VAL 18 HG22 VAL 18 7.150 5.468 -3.190 111 3HG2 VAL 18 HG23 VAL 18 6.696 5.449 -4.888 112 H ARG 19 HN ARG 19 4.913 5.505 -2.984 113 HA ARG 19 HA ARG 19 5.507 5.722 -0.336 114 1HB ARG 19 HB2 ARG 19 4.693 7.611 -1.637 115 2HB ARG 19 HB1 ARG 19 3.105 6.861 -1.796 116 1HG ARG 19 HG2 ARG 19 2.907 6.977 0.685 117 2HG ARG 19 HG1 ARG 19 4.392 7.935 0.700 118 1HD ARG 19 HD2 ARG 19 1.872 8.649 -0.812 119 2HD ARG 19 HD1 ARG 19 2.338 9.317 0.750 120 HE ARG 19 HE ARG 19 4.432 9.762 -1.035 121 1HH1 ARG 19 HH11 ARG 19 1.107 10.726 -0.578 122 2HH1 ARG 19 HH12 ARG 19 1.340 12.298 -1.280 123 1HH2 ARG 19 HH21 ARG 19 4.742 11.823 -1.995 124 2HH2 ARG 19 HH22 ARG 19 3.402 12.914 -2.111 125 H ASP 20 HN ASP 20 2.454 4.521 -1.672 126 HA ASP 20 HA ASP 20 1.340 4.055 0.929 127 1HB ASP 20 HB2 ASP 20 0.352 3.477 -1.840 128 2HB ASP 20 HB1 ASP 20 -0.544 2.989 -0.419 129 H THR 21 HN THR 21 3.107 2.145 -1.366 130 HA THR 21 HA THR 21 2.121 -0.355 -0.337 131 HB THR 21 HB THR 21 3.961 -1.310 -1.830 132 HG1 THR 21 HG1 THR 21 3.820 1.196 -3.136 133 1HG2 THR 21 HG21 THR 21 1.570 -1.306 -2.418 134 2HG2 THR 21 HG22 THR 21 2.579 -1.056 -3.836 135 3HG2 THR 21 HG23 THR 21 1.745 0.310 -3.093 136 H LEU 22 HN LEU 22 5.000 1.630 -0.035 137 HA LEU 22 HA LEU 22 6.383 -0.410 1.442 138 1HB LEU 22 HB2 LEU 22 7.068 2.377 0.639 139 2HB LEU 22 HB1 LEU 22 8.059 1.525 1.805 140 HG LEU 22 HG LEU 22 7.502 0.638 -1.029 141 1HD1 LEU 22 HD11 LEU 22 9.901 1.007 -1.334 142 2HD1 LEU 22 HD12 LEU 22 9.999 1.646 0.301 143 3HD1 LEU 22 HD13 LEU 22 9.049 2.504 -0.914 144 1HD2 LEU 22 HD21 LEU 22 7.689 -1.276 0.466 145 2HD2 LEU 22 HD22 LEU 22 9.186 -0.628 1.120 146 3HD2 LEU 22 HD23 LEU 22 9.118 -1.137 -0.562 147 H GLN 23 HN GLN 23 5.511 -0.889 3.293 148 HA GLN 23 HA GLN 23 4.907 1.171 5.274 149 1HB GLN 23 HB2 GLN 23 4.370 -1.705 4.947 150 2HB GLN 23 HB1 GLN 23 4.716 -1.209 6.596 151 1HG GLN 23 HG2 GLN 23 2.430 -1.077 6.498 152 2HG GLN 23 HG1 GLN 23 2.950 0.599 6.227 153 1HE2 GLN 23 HE21 GLN 23 3.753 0.065 3.467 154 2HE2 GLN 23 HE22 GLN 23 2.272 -0.070 2.559 155 HA PRO 24 HA PRO 24 8.758 1.156 7.499 156 1HB PRO 24 HB2 PRO 24 7.134 0.462 9.897 157 2HB PRO 24 HB1 PRO 24 8.280 1.787 9.658 158 1HG PRO 24 HG2 PRO 24 5.645 2.248 9.660 159 2HG PRO 24 HG1 PRO 24 6.752 3.130 8.567 160 1HD PRO 24 HD2 PRO 24 4.851 0.899 7.977 161 2HD PRO 24 HD1 PRO 24 5.321 2.286 6.953 162 H GLY 25 HN GLY 25 10.162 -0.459 7.378 163 1HA GLY 25 HA2 GLY 25 11.068 -2.453 8.363 164 2HA GLY 25 HA1 GLY 25 9.421 -3.030 8.606 165 H MET 26 HN MET 26 9.065 -1.841 5.695 166 HA MET 26 HA MET 26 9.546 -4.368 4.403 167 1HB MET 26 HB2 MET 26 8.271 -1.809 3.440 168 2HB MET 26 HB1 MET 26 8.430 -3.264 2.444 169 1HG MET 26 HG2 MET 26 7.097 -4.521 4.042 170 2HG MET 26 HG1 MET 26 6.962 -3.108 5.078 171 1HE MET 26 HE1 MET 26 5.067 -3.355 0.890 172 2HE MET 26 HE2 MET 26 5.967 -4.683 1.615 173 3HE MET 26 HE3 MET 26 6.800 -3.192 1.148 174 H ARG 27 HN ARG 27 10.952 -4.805 2.817 175 HA ARG 27 HA ARG 27 13.302 -3.131 2.800 176 1HB ARG 27 HB2 ARG 27 12.868 -5.788 1.444 177 2HB ARG 27 HB1 ARG 27 14.403 -4.941 1.560 178 1HG ARG 27 HG2 ARG 27 13.944 -5.004 4.108 179 2HG ARG 27 HG1 ARG 27 12.821 -6.295 3.681 180 1HD ARG 27 HD2 ARG 27 15.785 -6.213 3.214 181 2HD ARG 27 HD1 ARG 27 14.893 -7.291 4.294 182 HE ARG 27 HE ARG 27 14.373 -7.439 1.421 183 1HH1 ARG 27 HH11 ARG 27 15.688 -8.858 4.320 184 2HH1 ARG 27 HH12 ARG 27 16.055 -10.386 3.580 185 1HH2 ARG 27 HH21 ARG 27 14.871 -9.475 0.403 186 2HH2 ARG 27 HH22 ARG 27 15.550 -10.749 1.368 187 H VAL 28 HN VAL 28 14.391 -2.406 0.976 188 HA VAL 28 HA VAL 28 12.663 -1.798 -1.326 189 HB VAL 28 HB VAL 28 13.476 0.535 -1.248 190 1HG1 VAL 28 HG11 VAL 28 12.198 1.265 0.722 191 2HG1 VAL 28 HG12 VAL 28 12.175 -0.394 1.325 192 3HG1 VAL 28 HG13 VAL 28 11.357 0.013 -0.177 193 1HG2 VAL 28 HG21 VAL 28 15.599 0.165 -0.155 194 2HG2 VAL 28 HG22 VAL 28 14.779 -0.330 1.339 195 3HG2 VAL 28 HG23 VAL 28 14.648 1.332 0.766 196 H ARG 29 HN ARG 29 13.776 -1.132 -3.201 197 HA ARG 29 HA ARG 29 16.670 -1.733 -3.278 198 1HB ARG 29 HB2 ARG 29 15.440 -3.478 -4.424 199 2HB ARG 29 HB1 ARG 29 14.578 -2.292 -5.406 200 1HG ARG 29 HG2 ARG 29 16.722 -1.615 -6.408 201 2HG ARG 29 HG1 ARG 29 17.536 -2.873 -5.458 202 1HD ARG 29 HD2 ARG 29 15.325 -3.395 -7.432 203 2HD ARG 29 HD1 ARG 29 17.050 -3.543 -7.799 204 HE ARG 29 HE ARG 29 16.633 -5.090 -5.544 205 1HH1 ARG 29 HH11 ARG 29 15.371 -5.000 -8.829 206 2HH1 ARG 29 HH12 ARG 29 15.006 -6.698 -8.859 207 1HH2 ARG 29 HH21 ARG 29 16.253 -7.311 -5.635 208 2HH2 ARG 29 HH22 ARG 29 15.562 -8.044 -7.070 209 H MET 30 HN MET 30 17.933 -0.213 -4.197 210 HA MET 30 HA MET 30 16.789 2.328 -4.933 211 1HB MET 30 HB2 MET 30 18.954 1.996 -3.662 212 2HB MET 30 HB1 MET 30 19.656 1.453 -5.197 213 1HG MET 30 HG2 MET 30 20.224 3.754 -4.780 214 2HG MET 30 HG1 MET 30 19.142 3.643 -6.180 215 1HE MET 30 HE1 MET 30 18.863 6.324 -5.884 216 2HE MET 30 HE2 MET 30 19.882 6.252 -4.438 217 3HE MET 30 HE3 MET 30 18.324 7.060 -4.373 218 H LEU 31 HN LEU 31 15.900 2.604 -6.772 219 HA LEU 31 HA LEU 31 16.624 0.949 -9.020 220 1HB LEU 31 HB2 LEU 31 14.311 1.151 -8.389 221 2HB LEU 31 HB1 LEU 31 14.377 2.893 -8.545 222 HG LEU 31 HG LEU 31 14.966 2.513 -10.981 223 1HD1 LEU 31 HD11 LEU 31 14.126 0.416 -11.950 224 2HD1 LEU 31 HD12 LEU 31 13.856 -0.207 -10.326 225 3HD1 LEU 31 HD13 LEU 31 15.500 0.155 -10.878 226 1HD2 LEU 31 HD21 LEU 31 12.619 2.341 -11.608 227 2HD2 LEU 31 HD22 LEU 31 12.827 3.393 -10.220 228 3HD2 LEU 31 HD23 LEU 31 12.221 1.753 -9.990 229 H ASP 32 HN ASP 32 17.558 3.932 -7.869 230 HA ASP 32 HA ASP 32 18.459 4.776 -10.529 231 1HB ASP 32 HB2 ASP 32 16.366 6.007 -9.830 232 2HB ASP 32 HB1 ASP 32 17.281 6.691 -8.494 233 H ASP 33 HN ASP 33 20.471 5.970 -10.473 234 HA ASP 33 HA ASP 33 21.955 5.583 -7.998 235 1HB ASP 33 HB2 ASP 33 23.929 6.250 -9.237 236 2HB ASP 33 HB1 ASP 33 23.037 5.108 -10.217 237 H TYR 34 HN TYR 34 22.376 7.161 -6.547 238 HA TYR 34 HA TYR 34 21.821 9.913 -7.200 239 1HB TYR 34 HB2 TYR 34 19.594 8.942 -6.756 240 2HB TYR 34 HB1 TYR 34 20.167 8.464 -5.141 241 HD1 TYR 34 HD1 TYR 34 20.208 11.618 -7.171 242 HD2 TYR 34 HD2 TYR 34 19.377 9.763 -3.424 243 HE1 TYR 34 HE1 TYR 34 19.512 13.806 -6.250 244 HE2 TYR 34 HE2 TYR 34 18.672 11.928 -2.523 245 HH TYR 34 HH TYR 34 19.033 14.306 -2.926 246 H GLU 35 HN GLU 35 23.832 10.498 -6.542 247 HA GLU 35 HA GLU 35 25.424 11.209 -5.125 248 1HB GLU 35 HB2 GLU 35 23.296 10.889 -3.026 249 2HB GLU 35 HB1 GLU 35 24.768 11.838 -2.870 250 1HG GLU 35 HG2 GLU 35 24.004 13.313 -4.644 251 2HG GLU 35 HG1 GLU 35 22.540 12.350 -4.830 252 H GLU 36 HN GLU 36 24.491 9.762 -2.211 253 HA GLU 36 HA GLU 36 26.853 8.247 -2.112 254 1HB GLU 36 HB2 GLU 36 24.507 8.150 -0.222 255 2HB GLU 36 HB1 GLU 36 26.169 7.678 0.120 256 1HG GLU 36 HG2 GLU 36 25.166 10.454 -0.436 257 2HG GLU 36 HG1 GLU 36 25.721 9.803 1.110 258 H ILE 37 HN ILE 37 23.616 7.521 -3.038 259 HA ILE 37 HA ILE 37 24.105 4.641 -2.728 260 HB ILE 37 HB ILE 37 21.418 5.910 -3.215 261 1HG1 ILE 37 HG12 ILE 37 22.367 6.881 -1.171 262 2HG1 ILE 37 HG11 ILE 37 21.004 5.816 -0.818 263 1HG2 ILE 37 HG21 ILE 37 22.247 3.256 -2.036 264 2HG2 ILE 37 HG22 ILE 37 21.596 3.510 -3.648 265 3HG2 ILE 37 HG23 ILE 37 20.588 3.821 -2.229 266 1HD1 ILE 37 HD11 ILE 37 22.564 4.071 -0.131 267 2HD1 ILE 37 HD12 ILE 37 22.806 5.554 0.799 268 3HD1 ILE 37 HD13 ILE 37 23.916 5.130 -0.503 269 H SER 38 HN SER 38 23.505 3.235 -4.504 270 HA SER 38 HA SER 38 23.292 4.594 -7.101 271 1HB SER 38 HB2 SER 38 25.219 2.354 -6.433 272 2HB SER 38 HB1 SER 38 25.017 3.094 -8.032 273 HG SER 38 HG SER 38 25.475 4.971 -6.138 274 H ALA 39 HN ALA 39 22.644 3.057 -8.831 275 HA ALA 39 HA ALA 39 20.301 1.710 -8.099 276 1HB ALA 39 HB1 ALA 39 20.250 0.932 -10.418 277 2HB ALA 39 HB2 ALA 39 21.920 1.456 -10.646 278 3HB ALA 39 HB3 ALA 39 20.647 2.641 -10.322 279 H GLY 40 HN GLY 40 19.940 -0.238 -7.356 280 1HA GLY 40 HA2 GLY 40 20.312 -2.661 -7.448 281 2HA GLY 40 HA1 GLY 40 22.014 -2.329 -7.683 282 H ASP 41 HN ASP 41 21.746 -0.146 -5.528 283 HA ASP 41 HA ASP 41 22.461 -1.669 -3.292 284 1HB ASP 41 HB2 ASP 41 21.718 1.218 -3.681 285 2HB ASP 41 HB1 ASP 41 21.865 0.558 -2.056 286 H GLU 42 HN GLU 42 21.224 -2.345 -1.523 287 HA GLU 42 HA GLU 42 18.348 -1.824 -1.706 288 1HB GLU 42 HB2 GLU 42 19.621 -4.515 -1.137 289 2HB GLU 42 HB1 GLU 42 17.894 -4.163 -1.023 290 1HG GLU 42 HG2 GLU 42 17.964 -3.524 -3.423 291 2HG GLU 42 HG1 GLU 42 19.634 -4.122 -3.473 292 H GLY 43 HN GLY 43 17.170 -2.098 0.271 293 1HA GLY 43 HA2 GLY 43 18.611 -2.058 2.744 294 2HA GLY 43 HA1 GLY 43 18.140 -0.448 2.200 295 H GLU 44 HN GLU 44 16.974 -0.575 4.307 296 HA GLU 44 HA GLU 44 14.389 -1.914 3.962 297 1HB GLU 44 HB2 GLU 44 15.747 -2.877 5.797 298 2HB GLU 44 HB1 GLU 44 15.756 -1.309 6.580 299 1HG GLU 44 HG2 GLU 44 13.177 -1.495 6.421 300 2HG GLU 44 HG1 GLU 44 13.498 -3.219 6.221 301 H PHE 45 HN PHE 45 12.548 -0.738 4.617 302 HA PHE 45 HA PHE 45 12.813 2.154 4.417 303 1HB PHE 45 HB2 PHE 45 11.142 0.834 3.110 304 2HB PHE 45 HB1 PHE 45 10.394 0.341 4.619 305 HD1 PHE 45 HD1 PHE 45 10.705 2.939 2.131 306 HD2 PHE 45 HD2 PHE 45 9.192 1.998 5.995 307 HE1 PHE 45 HE1 PHE 45 9.198 4.881 2.039 308 HE2 PHE 45 HE2 PHE 45 7.714 3.940 5.917 309 HZ PHE 45 HZ PHE 45 7.697 5.387 3.930 310 H ARG 46 HN ARG 46 13.188 3.271 6.262 311 HA ARG 46 HA ARG 46 12.409 2.157 8.833 312 1HB ARG 46 HB2 ARG 46 13.920 4.651 8.022 313 2HB ARG 46 HB1 ARG 46 13.548 4.252 9.692 314 1HG ARG 46 HG2 ARG 46 15.062 2.356 7.939 315 2HG ARG 46 HG1 ARG 46 15.871 3.661 8.817 316 1HD ARG 46 HD2 ARG 46 16.018 1.735 10.166 317 2HD ARG 46 HD1 ARG 46 14.779 2.756 10.898 318 HE ARG 46 HE ARG 46 14.168 0.385 9.223 319 1HH1 ARG 46 HH11 ARG 46 13.587 2.371 12.063 320 2HH1 ARG 46 HH12 ARG 46 12.233 1.424 12.584 321 1HH2 ARG 46 HH21 ARG 46 12.444 -0.886 9.947 322 2HH2 ARG 46 HH22 ARG 46 11.586 -0.448 11.388 323 H GLN 47 HN GLN 47 11.876 5.244 7.097 324 HA GLN 47 HA GLN 47 9.239 5.551 8.272 325 1HB GLN 47 HB2 GLN 47 11.543 7.332 9.083 326 2HB GLN 47 HB1 GLN 47 9.885 7.910 9.096 327 1HG GLN 47 HG2 GLN 47 9.309 6.044 10.643 328 2HG GLN 47 HG1 GLN 47 11.030 5.628 10.696 329 1HE2 GLN 47 HE21 GLN 47 11.958 8.340 10.629 330 2HE2 GLN 47 HE22 GLN 47 11.596 9.053 12.176 331 H SER 48 HN SER 48 8.048 7.255 7.316 332 HA SER 48 HA SER 48 9.285 8.376 4.876 333 1HB SER 48 HB2 SER 48 6.907 8.247 3.953 334 2HB SER 48 HB1 SER 48 7.772 6.716 4.128 335 HG SER 48 HG SER 48 5.500 7.604 5.417 336 H ASN 49 HN ASN 49 8.667 10.494 4.285 337 HA ASN 49 HA ASN 49 7.361 12.095 6.285 338 1HB ASN 49 HB2 ASN 49 8.473 12.638 3.532 339 2HB ASN 49 HB1 ASN 49 7.490 13.837 4.359 340 1HD2 ASN 49 HD21 ASN 49 9.631 11.669 6.061 341 2HD2 ASN 49 HD22 ASN 49 10.819 12.856 6.486 342 H ASN 50 HN ASN 50 5.376 13.307 5.798 343 HA ASN 50 HA ASN 50 3.471 11.342 5.041 344 1HB ASN 50 HB2 ASN 50 1.759 12.980 5.800 345 2HB ASN 50 HB1 ASN 50 3.015 12.649 6.999 346 1HD2 ASN 50 HD21 ASN 50 4.364 14.246 7.631 347 2HD2 ASN 50 HD22 ASN 50 4.186 15.899 7.148 348 H GLY 51 HN GLY 51 4.794 14.114 3.351 349 1HA GLY 51 HA2 GLY 51 3.041 13.456 1.123 350 2HA GLY 51 HA1 GLY 51 2.795 15.047 1.811 351 H VAL 52 HN VAL 52 6.047 14.310 2.106 352 HA VAL 52 HA VAL 52 6.580 15.684 -0.434 353 HB VAL 52 HB VAL 52 8.655 16.588 0.664 354 1HG1 VAL 52 HG11 VAL 52 6.694 17.963 0.356 355 2HG1 VAL 52 HG12 VAL 52 7.466 18.345 1.888 356 3HG1 VAL 52 HG13 VAL 52 6.004 17.359 1.872 357 1HG2 VAL 52 HG21 VAL 52 8.775 14.971 2.515 358 2HG2 VAL 52 HG22 VAL 52 7.298 15.652 3.187 359 3HG2 VAL 52 HG23 VAL 52 8.768 16.633 3.093 360 HA PRO 53 HA PRO 53 9.147 12.608 -2.124 361 1HB PRO 53 HB2 PRO 53 11.549 14.051 -2.442 362 2HB PRO 53 HB1 PRO 53 10.259 13.814 -3.624 363 1HG PRO 53 HG2 PRO 53 10.792 16.143 -1.872 364 2HG PRO 53 HG1 PRO 53 10.000 16.065 -3.456 365 1HD PRO 53 HD2 PRO 53 8.625 16.459 -1.176 366 2HD PRO 53 HD1 PRO 53 7.937 15.575 -2.547 367 HA PRO 54 HA PRO 54 13.125 12.508 0.803 368 1HB PRO 54 HB2 PRO 54 12.521 13.599 3.298 369 2HB PRO 54 HB1 PRO 54 13.586 14.311 2.076 370 1HG PRO 54 HG2 PRO 54 10.737 14.914 2.711 371 2HG PRO 54 HG1 PRO 54 12.021 16.013 2.169 372 1HD PRO 54 HD2 PRO 54 10.087 15.157 0.496 373 2HD PRO 54 HD1 PRO 54 11.756 15.431 -0.046 374 H VAL 55 HN VAL 55 13.202 10.522 1.456 375 HA VAL 55 HA VAL 55 11.270 9.528 3.422 376 HB VAL 55 HB VAL 55 10.648 8.617 1.210 377 1HG1 VAL 55 HG11 VAL 55 13.405 7.412 1.226 378 2HG1 VAL 55 HG12 VAL 55 12.792 8.649 0.112 379 3HG1 VAL 55 HG13 VAL 55 12.114 7.024 0.093 380 1HG2 VAL 55 HG21 VAL 55 10.219 7.296 3.182 381 2HG2 VAL 55 HG22 VAL 55 11.825 6.576 3.063 382 3HG2 VAL 55 HG23 VAL 55 10.616 6.271 1.822 383 H GLN 56 HN GLN 56 12.118 8.154 4.992 384 HA GLN 56 HA GLN 56 15.028 8.243 5.189 385 1HB GLN 56 HB2 GLN 56 13.850 9.104 7.118 386 2HB GLN 56 HB1 GLN 56 12.882 7.628 7.230 387 1HG GLN 56 HG2 GLN 56 14.766 6.356 7.885 388 2HG GLN 56 HG1 GLN 56 15.877 7.684 7.558 389 1HE2 GLN 56 HE21 GLN 56 16.694 7.731 9.605 390 2HE2 GLN 56 HE22 GLN 56 15.769 8.268 10.972 391 H VAL 57 HN VAL 57 16.014 6.552 4.263 392 HA VAL 57 HA VAL 57 14.901 3.858 4.751 393 HB VAL 57 HB VAL 57 16.316 4.871 2.277 394 1HG1 VAL 57 HG11 VAL 57 16.994 2.592 2.792 395 2HG1 VAL 57 HG12 VAL 57 15.982 2.630 1.352 396 3HG1 VAL 57 HG13 VAL 57 15.303 2.093 2.894 397 1HG2 VAL 57 HG21 VAL 57 13.959 5.534 2.424 398 2HG2 VAL 57 HG22 VAL 57 13.482 3.839 2.637 399 3HG2 VAL 57 HG23 VAL 57 14.223 4.377 1.132 400 H PHE 58 HN PHE 58 16.245 2.428 5.617 401 HA PHE 58 HA PHE 58 18.998 3.172 6.139 402 1HB PHE 58 HB2 PHE 58 17.723 2.264 8.005 403 2HB PHE 58 HB1 PHE 58 17.351 0.817 7.069 404 HD1 PHE 58 HD1 PHE 58 20.074 2.667 8.726 405 HD2 PHE 58 HD2 PHE 58 18.856 -0.999 6.956 406 HE1 PHE 58 HE1 PHE 58 22.086 1.576 9.627 407 HE2 PHE 58 HE2 PHE 58 20.869 -2.095 7.824 408 HZ PHE 58 HZ PHE 58 22.485 -0.814 9.175 409 H TRP 59 HN TRP 59 20.475 2.651 4.638 410 HA TRP 59 HA TRP 59 19.847 0.487 2.774 411 1HB TRP 59 HB2 TRP 59 22.038 2.576 2.739 412 2HB TRP 59 HB1 TRP 59 21.806 1.336 1.515 413 HD1 TRP 59 HD1 TRP 59 20.654 4.776 2.467 414 HE1 TRP 59 HE1 TRP 59 18.802 5.549 0.842 415 HE3 TRP 59 HE3 TRP 59 19.730 0.330 0.075 416 HZ2 TRP 59 HZ2 TRP 59 17.184 4.438 -1.157 417 HZ3 TRP 59 HZ3 TRP 59 17.999 0.299 -1.688 418 HH2 TRP 59 HH2 TRP 59 16.756 2.306 -2.278 419 H GLU 60 HN GLU 60 20.599 -1.475 3.061 420 HA GLU 60 HA GLU 60 22.137 -2.098 5.346 421 1HB GLU 60 HB2 GLU 60 21.302 -3.896 3.076 422 2HB GLU 60 HB1 GLU 60 21.885 -4.426 4.646 423 1HG GLU 60 HG2 GLU 60 19.939 -3.434 5.722 424 2HG GLU 60 HG1 GLU 60 19.360 -2.840 4.174 425 H SER 61 HN SER 61 22.802 -1.949 1.911 426 HA SER 61 HA SER 61 25.250 -3.290 1.907 427 1HB SER 61 HB2 SER 61 25.567 -1.845 -0.242 428 2HB SER 61 HB1 SER 61 24.250 -3.019 -0.194 429 HG SER 61 HG SER 61 23.903 -0.609 -0.832 430 H THR 62 HN THR 62 24.439 0.100 2.433 431 HA THR 62 HA THR 62 27.245 0.836 2.682 432 HB THR 62 HB THR 62 24.897 2.562 3.439 433 HG1 THR 62 HG1 THR 62 25.788 1.767 0.857 434 1HG2 THR 62 HG21 THR 62 27.610 3.196 2.275 435 2HG2 THR 62 HG22 THR 62 27.101 3.460 3.939 436 3HG2 THR 62 HG23 THR 62 26.346 4.380 2.643 437 H GLY 63 HN GLY 63 24.405 0.444 4.695 438 1HA GLY 63 HA2 GLY 63 24.427 -0.491 6.868 439 2HA GLY 63 HA1 GLY 63 26.116 -0.038 7.015 440 H ARG 64 HN ARG 64 23.773 2.229 5.819 441 HA ARG 64 HA ARG 64 23.450 3.461 8.404 442 1HB ARG 64 HB2 ARG 64 24.347 5.670 7.601 443 2HB ARG 64 HB1 ARG 64 25.563 4.420 7.849 444 1HG ARG 64 HG2 ARG 64 25.684 4.032 5.461 445 2HG ARG 64 HG1 ARG 64 24.413 5.228 5.186 446 1HD ARG 64 HD2 ARG 64 26.694 6.102 4.777 447 2HD ARG 64 HD1 ARG 64 25.795 6.989 6.007 448 HE ARG 64 HE ARG 64 27.129 5.865 7.698 449 1HH1 ARG 64 HH11 ARG 64 28.306 5.679 4.405 450 2HH1 ARG 64 HH12 ARG 64 29.958 5.340 4.859 451 1HH2 ARG 64 HH21 ARG 64 29.284 5.464 8.317 452 2HH2 ARG 64 HH22 ARG 64 30.513 5.231 7.106 453 H THR 65 HN THR 65 22.042 5.450 8.197 454 HA THR 65 HA THR 65 19.920 4.817 6.308 455 HB THR 65 HB THR 65 19.849 6.912 8.475 456 HG1 THR 65 HG1 THR 65 19.840 5.347 9.907 457 1HG2 THR 65 HG21 THR 65 17.452 6.440 8.462 458 2HG2 THR 65 HG22 THR 65 17.689 5.219 7.216 459 3HG2 THR 65 HG23 THR 65 17.989 6.926 6.838 460 H TYR 66 HN TYR 66 18.961 6.362 4.981 461 HA TYR 66 HA TYR 66 20.346 8.861 4.466 462 1HB TYR 66 HB2 TYR 66 21.469 6.935 3.129 463 2HB TYR 66 HB1 TYR 66 19.990 6.924 2.167 464 HD1 TYR 66 HD1 TYR 66 19.992 8.177 0.214 465 HD2 TYR 66 HD2 TYR 66 22.541 9.368 3.408 466 HE1 TYR 66 HE1 TYR 66 20.894 9.964 -1.196 467 HE2 TYR 66 HE2 TYR 66 23.463 11.152 1.990 468 HH TYR 66 HH TYR 66 22.093 12.035 -1.058 469 H TRP 67 HN TRP 67 19.026 10.354 3.349 470 HA TRP 67 HA TRP 67 16.215 9.577 3.151 471 1HB TRP 67 HB2 TRP 67 17.556 12.292 3.169 472 2HB TRP 67 HB1 TRP 67 15.819 12.040 2.961 473 HD1 TRP 67 HD1 TRP 67 14.487 10.996 5.108 474 HE1 TRP 67 HE1 TRP 67 14.968 11.207 7.638 475 HE3 TRP 67 HE3 TRP 67 19.358 12.520 4.864 476 HZ2 TRP 67 HZ2 TRP 67 17.139 11.930 9.296 477 HZ3 TRP 67 HZ3 TRP 67 20.555 12.949 6.970 478 HH2 TRP 67 HH2 TRP 67 19.462 12.666 9.130 479 H VAL 68 HN VAL 68 15.494 8.946 1.304 480 HA VAL 68 HA VAL 68 16.835 9.820 -1.154 481 HB VAL 68 HB VAL 68 15.085 7.376 -0.909 482 1HG1 VAL 68 HG11 VAL 68 15.649 7.936 -3.151 483 2HG1 VAL 68 HG12 VAL 68 16.606 6.532 -2.687 484 3HG1 VAL 68 HG13 VAL 68 17.356 8.126 -2.745 485 1HG2 VAL 68 HG21 VAL 68 17.082 6.046 -0.430 486 2HG2 VAL 68 HG22 VAL 68 16.694 7.159 0.867 487 3HG2 VAL 68 HG23 VAL 68 18.014 7.521 -0.234 488 H HIS 69 HN HIS 69 15.194 9.685 -3.097 489 HA HIS 69 HA HIS 69 12.628 10.822 -2.233 490 1HB HIS 69 HB2 HIS 69 14.029 11.031 -4.897 491 2HB HIS 69 HB1 HIS 69 12.471 11.765 -4.514 492 HD1 HIS 69 HD1 HIS 69 15.422 13.116 -5.187 493 HD2 HIS 69 HD2 HIS 69 13.277 13.096 -1.627 494 HE1 HIS 69 HE1 HIS 69 16.266 15.094 -3.867 495 HE2 HIS 69 HE2 HIS 69 15.040 14.994 -1.683 496 H TRP 70 HN TRP 70 10.678 10.139 -3.136 497 HA TRP 70 HA TRP 70 10.361 7.414 -3.167 498 1HB TRP 70 HB2 TRP 70 8.502 9.502 -4.322 499 2HB TRP 70 HB1 TRP 70 8.066 7.830 -3.946 500 HD1 TRP 70 HD1 TRP 70 8.314 11.238 -2.410 501 HE1 TRP 70 HE1 TRP 70 7.734 11.111 0.094 502 HE3 TRP 70 HE3 TRP 70 8.325 6.155 -1.818 503 HZ2 TRP 70 HZ2 TRP 70 7.354 9.139 2.043 504 HZ3 TRP 70 HZ3 TRP 70 7.834 5.229 0.402 505 HH2 TRP 70 HH2 TRP 70 7.355 6.703 2.303 506 H HIS 71 HN HIS 71 10.701 9.529 -6.001 507 HA HIS 71 HA HIS 71 9.610 7.628 -7.796 508 1HB HIS 71 HB2 HIS 71 10.276 9.092 -9.594 509 2HB HIS 71 HB1 HIS 71 9.593 10.046 -8.269 510 HD1 HIS 71 HD1 HIS 71 10.744 12.187 -8.219 511 HD2 HIS 71 HD2 HIS 71 13.407 9.074 -9.001 512 HE1 HIS 71 HE1 HIS 71 13.012 13.259 -8.436 513 HE2 HIS 71 HE2 HIS 71 14.543 11.393 -9.164 514 H MET 72 HN MET 72 12.559 7.568 -6.288 515 HA MET 72 HA MET 72 13.727 5.928 -8.435 516 1HB MET 72 HB2 MET 72 15.920 6.419 -7.389 517 2HB MET 72 HB1 MET 72 15.104 7.855 -7.995 518 1HG MET 72 HG2 MET 72 14.350 8.355 -5.710 519 2HG MET 72 HG1 MET 72 15.241 6.958 -5.135 520 1HE MET 72 HE1 MET 72 16.536 9.245 -8.049 521 2HE MET 72 HE2 MET 72 17.379 10.505 -7.156 522 3HE MET 72 HE3 MET 72 15.626 10.384 -7.059 523 H LEU 73 HN LEU 73 11.864 5.364 -6.039 524 HA LEU 73 HA LEU 73 13.532 3.344 -4.686 525 1HB LEU 73 HB2 LEU 73 10.799 4.439 -3.985 526 2HB LEU 73 HB1 LEU 73 11.627 3.174 -3.103 527 HG LEU 73 HG LEU 73 12.615 6.006 -3.410 528 1HD1 LEU 73 HD11 LEU 73 12.135 6.165 -1.006 529 2HD1 LEU 73 HD12 LEU 73 11.420 4.554 -1.067 530 3HD1 LEU 73 HD13 LEU 73 10.685 5.880 -1.964 531 1HD2 LEU 73 HD21 LEU 73 14.319 5.369 -1.772 532 2HD2 LEU 73 HD22 LEU 73 14.447 4.388 -3.235 533 3HD2 LEU 73 HD23 LEU 73 13.711 3.710 -1.787 534 H GLU 74 HN GLU 74 13.339 1.297 -5.147 535 HA GLU 74 HA GLU 74 10.974 0.314 -6.556 536 1HB GLU 74 HB2 GLU 74 13.091 -0.070 -7.699 537 2HB GLU 74 HB1 GLU 74 13.717 -0.885 -6.273 538 1HG GLU 74 HG2 GLU 74 13.014 -2.411 -8.029 539 2HG GLU 74 HG1 GLU 74 12.134 -2.665 -6.521 540 H ILE 75 HN ILE 75 9.717 -1.233 -5.588 541 HA ILE 75 HA ILE 75 10.281 -1.604 -2.734 542 HB ILE 75 HB ILE 75 7.964 -2.075 -2.401 543 1HG1 ILE 75 HG12 ILE 75 7.549 -1.896 -5.392 544 2HG1 ILE 75 HG11 ILE 75 7.568 -3.406 -4.482 545 1HG2 ILE 75 HG21 ILE 75 8.321 0.243 -4.310 546 2HG2 ILE 75 HG22 ILE 75 8.527 0.269 -2.561 547 3HG2 ILE 75 HG23 ILE 75 6.934 0.004 -3.250 548 1HD1 ILE 75 HD11 ILE 75 5.633 -1.130 -4.152 549 2HD1 ILE 75 HD12 ILE 75 5.634 -2.607 -3.192 550 3HD1 ILE 75 HD13 ILE 75 5.303 -2.681 -4.922 551 H LEU 76 HN LEU 76 10.633 -3.495 -1.805 552 HA LEU 76 HA LEU 76 10.525 -5.919 -3.528 553 1HB LEU 76 HB2 LEU 76 12.299 -5.298 -1.143 554 2HB LEU 76 HB1 LEU 76 12.260 -6.824 -1.988 555 HG LEU 76 HG LEU 76 13.116 -4.197 -3.182 556 1HD1 LEU 76 HD11 LEU 76 15.337 -5.220 -3.200 557 2HD1 LEU 76 HD12 LEU 76 14.691 -6.614 -2.328 558 3HD1 LEU 76 HD13 LEU 76 14.703 -5.021 -1.570 559 1HD2 LEU 76 HD21 LEU 76 13.830 -5.580 -5.094 560 2HD2 LEU 76 HD22 LEU 76 12.087 -5.643 -4.845 561 3HD2 LEU 76 HD23 LEU 76 13.095 -6.992 -4.341 562 H GLY 77 HN GLY 77 8.812 -4.405 -1.219 563 1HA GLY 77 HA2 GLY 77 7.252 -5.091 0.319 564 2HA GLY 77 HA1 GLY 77 7.449 -6.712 -0.339 565 H PHE 78 HN PHE 78 8.094 -8.165 1.106 566 HA PHE 78 HA PHE 78 9.983 -7.291 3.203 567 1HB PHE 78 HB2 PHE 78 8.121 -9.688 3.114 568 2HB PHE 78 HB1 PHE 78 9.307 -9.371 4.372 569 HD1 PHE 78 HD1 PHE 78 5.999 -8.896 3.355 570 HD2 PHE 78 HD2 PHE 78 9.134 -7.053 5.548 571 HE1 PHE 78 HE1 PHE 78 4.343 -7.518 4.552 572 HE2 PHE 78 HE2 PHE 78 7.489 -5.655 6.749 573 HZ PHE 78 HZ PHE 78 5.085 -5.884 6.247 574 H GLU 79 HN GLU 79 9.286 -9.713 0.768 575 HA GLU 79 HA GLU 79 10.599 -11.004 -0.544 576 1HB GLU 79 HB2 GLU 79 11.925 -8.506 -0.221 577 2HB GLU 79 HB1 GLU 79 13.160 -9.769 -0.268 578 1HG GLU 79 HG2 GLU 79 10.960 -9.402 -2.330 579 2HG GLU 79 HG1 GLU 79 12.621 -8.820 -2.481 580 H GLU 80 HN GLU 80 10.607 -11.416 2.475 581 HA GLU 80 HA GLU 80 12.508 -13.558 2.517 582 1HB GLU 80 HB2 GLU 80 13.876 -11.540 3.093 583 2HB GLU 80 HB1 GLU 80 12.845 -11.317 4.490 584 1HG GLU 80 HG2 GLU 80 13.595 -13.371 5.469 585 2HG GLU 80 HG1 GLU 80 14.494 -13.774 3.992 Start of MODEL 8 1 H MET 4 HN MET 4 10.767 5.130 -17.928 2 HA MET 4 HA MET 4 12.099 5.464 -15.381 3 1HB MET 4 HB2 MET 4 11.577 7.431 -17.616 4 2HB MET 4 HB1 MET 4 12.475 7.806 -16.148 5 1HG MET 4 HG2 MET 4 14.166 6.171 -16.721 6 2HG MET 4 HG1 MET 4 13.258 5.697 -18.152 7 1HE MET 4 HE1 MET 4 13.893 9.287 -16.652 8 2HE MET 4 HE2 MET 4 15.314 9.809 -17.594 9 3HE MET 4 HE3 MET 4 15.426 8.469 -16.457 10 H ARG 5 HN ARG 5 11.382 7.965 -14.606 11 HA ARG 5 HA ARG 5 9.233 7.411 -12.964 12 1HB ARG 5 HB2 ARG 5 11.028 9.115 -12.572 13 2HB ARG 5 HB1 ARG 5 10.210 10.164 -13.734 14 1HG ARG 5 HG2 ARG 5 8.669 9.142 -11.422 15 2HG ARG 5 HG1 ARG 5 9.836 10.432 -11.149 16 1HD ARG 5 HD2 ARG 5 7.642 10.541 -13.222 17 2HD ARG 5 HD1 ARG 5 7.508 11.212 -11.596 18 HE ARG 5 HE ARG 5 9.810 12.278 -12.734 19 1HH1 ARG 5 HH11 ARG 5 6.370 12.275 -13.342 20 2HH1 ARG 5 HH12 ARG 5 6.358 13.869 -14.039 21 1HH2 ARG 5 HH21 ARG 5 9.773 14.427 -13.610 22 2HH2 ARG 5 HH22 ARG 5 8.261 15.100 -14.138 23 H SER 6 HN SER 6 9.243 9.041 -16.089 24 HA SER 6 HA SER 6 6.515 9.917 -15.837 25 1HB SER 6 HB2 SER 6 8.237 9.811 -18.320 26 2HB SER 6 HB1 SER 6 6.764 10.760 -18.085 27 HG SER 6 HG SER 6 7.998 12.248 -17.305 28 H GLU 7 HN GLU 7 7.483 6.914 -15.977 29 HA GLU 7 HA GLU 7 6.293 5.676 -18.195 30 1HB GLU 7 HB2 GLU 7 7.780 4.601 -16.468 31 2HB GLU 7 HB1 GLU 7 6.397 4.588 -15.380 32 1HG GLU 7 HG2 GLU 7 5.194 3.157 -16.977 33 2HG GLU 7 HG1 GLU 7 6.618 3.153 -18.019 34 H PHE 8 HN PHE 8 4.962 6.367 -14.982 35 HA PHE 8 HA PHE 8 2.294 5.699 -15.805 36 1HB PHE 8 HB2 PHE 8 3.414 6.896 -13.275 37 2HB PHE 8 HB1 PHE 8 1.679 6.660 -13.525 38 HD1 PHE 8 HD1 PHE 8 0.786 4.353 -13.826 39 HD2 PHE 8 HD2 PHE 8 4.812 5.104 -12.654 40 HE1 PHE 8 HE1 PHE 8 0.980 2.042 -13.002 41 HE2 PHE 8 HE2 PHE 8 5.015 2.815 -11.827 42 HZ PHE 8 HZ PHE 8 3.087 1.257 -11.993 43 H ALA 9 HN ALA 9 0.515 7.314 -15.549 44 HA ALA 9 HA ALA 9 0.931 9.354 -17.409 45 1HB ALA 9 HB1 ALA 9 -1.367 10.018 -16.963 46 2HB ALA 9 HB2 ALA 9 -1.376 9.039 -15.500 47 3HB ALA 9 HB3 ALA 9 -1.224 8.274 -17.077 48 H SER 10 HN SER 10 0.919 9.427 -13.913 49 HA SER 10 HA SER 10 1.301 12.339 -14.013 50 1HB SER 10 HB2 SER 10 0.668 10.539 -11.665 51 2HB SER 10 HB1 SER 10 0.772 12.305 -11.620 52 HG SER 10 HG SER 10 -0.938 12.241 -13.273 53 H GLY 11 HN GLY 11 2.945 9.367 -13.330 54 1HA GLY 11 HA2 GLY 11 5.214 9.046 -12.940 55 2HA GLY 11 HA1 GLY 11 5.435 10.789 -12.872 56 H ASN 12 HN ASN 12 3.790 11.549 -10.865 57 HA ASN 12 HA ASN 12 4.983 10.887 -8.459 58 1HB ASN 12 HB2 ASN 12 2.171 11.889 -8.932 59 2HB ASN 12 HB1 ASN 12 2.990 11.887 -7.367 60 1HD2 ASN 12 HD21 ASN 12 2.778 14.108 -7.160 61 2HD2 ASN 12 HD22 ASN 12 3.731 15.202 -8.103 62 H THR 13 HN THR 13 2.678 9.228 -10.261 63 HA THR 13 HA THR 13 1.191 7.733 -8.524 64 HB THR 13 HB THR 13 2.357 6.559 -11.034 65 HG1 THR 13 HG1 THR 13 0.484 8.688 -10.706 66 1HG2 THR 13 HG21 THR 13 0.885 5.131 -9.725 67 2HG2 THR 13 HG22 THR 13 0.098 5.591 -11.242 68 3HG2 THR 13 HG23 THR 13 -0.364 6.375 -9.732 69 H TYR 14 HN TYR 14 4.592 7.298 -9.407 70 HA TYR 14 HA TYR 14 4.978 4.746 -8.322 71 1HB TYR 14 HB2 TYR 14 6.800 7.114 -8.668 72 2HB TYR 14 HB1 TYR 14 7.363 5.643 -7.872 73 HD1 TYR 14 HD1 TYR 14 6.815 7.282 -10.981 74 HD2 TYR 14 HD2 TYR 14 7.218 3.453 -9.182 75 HE1 TYR 14 HE1 TYR 14 7.354 6.321 -13.174 76 HE2 TYR 14 HE2 TYR 14 7.768 2.478 -11.380 77 HH TYR 14 HH TYR 14 7.283 3.082 -13.840 78 H ALA 15 HN ALA 15 5.521 7.951 -6.900 79 HA ALA 15 HA ALA 15 6.155 7.152 -4.317 80 1HB ALA 15 HB1 ALA 15 4.794 9.686 -5.180 81 2HB ALA 15 HB2 ALA 15 6.535 9.398 -5.208 82 3HB ALA 15 HB3 ALA 15 5.662 9.441 -3.678 83 H LEU 16 HN LEU 16 3.059 7.531 -5.879 84 HA LEU 16 HA LEU 16 1.530 7.655 -3.491 85 1HB LEU 16 HB2 LEU 16 0.828 8.636 -5.633 86 2HB LEU 16 HB1 LEU 16 0.687 7.015 -6.316 87 HG LEU 16 HG LEU 16 -1.103 6.526 -4.650 88 1HD1 LEU 16 HD11 LEU 16 -2.146 8.344 -3.417 89 2HD1 LEU 16 HD12 LEU 16 -0.944 9.484 -4.030 90 3HD1 LEU 16 HD13 LEU 16 -0.455 8.177 -2.940 91 1HD2 LEU 16 HD21 LEU 16 -1.678 7.216 -6.884 92 2HD2 LEU 16 HD22 LEU 16 -1.555 8.913 -6.444 93 3HD2 LEU 16 HD23 LEU 16 -2.826 7.905 -5.746 94 H TYR 17 HN TYR 17 2.265 5.174 -5.898 95 HA TYR 17 HA TYR 17 0.877 3.052 -4.724 96 1HB TYR 17 HB2 TYR 17 1.715 2.964 -7.019 97 2HB TYR 17 HB1 TYR 17 3.371 3.086 -6.427 98 HD1 TYR 17 HD1 TYR 17 0.375 0.908 -6.160 99 HD2 TYR 17 HD2 TYR 17 4.607 1.142 -6.139 100 HE1 TYR 17 HE1 TYR 17 0.516 -1.549 -6.097 101 HE2 TYR 17 HE2 TYR 17 4.756 -1.294 -6.083 102 HH TYR 17 HH TYR 17 3.317 -3.238 -5.361 103 H VAL 18 HN VAL 18 4.313 3.895 -4.474 104 HA VAL 18 HA VAL 18 4.935 1.779 -2.749 105 HB VAL 18 HB VAL 18 7.020 2.924 -2.200 106 1HG1 VAL 18 HG11 VAL 18 6.314 3.094 -5.126 107 2HG1 VAL 18 HG12 VAL 18 6.843 1.650 -4.243 108 3HG1 VAL 18 HG13 VAL 18 7.937 3.020 -4.449 109 1HG2 VAL 18 HG21 VAL 18 7.587 5.100 -3.211 110 2HG2 VAL 18 HG22 VAL 18 6.250 5.234 -2.053 111 3HG2 VAL 18 HG23 VAL 18 5.925 5.255 -3.786 112 H ARG 19 HN ARG 19 4.039 5.144 -1.933 113 HA ARG 19 HA ARG 19 4.400 4.997 0.815 114 1HB ARG 19 HB2 ARG 19 3.927 7.079 -0.299 115 2HB ARG 19 HB1 ARG 19 2.315 6.502 -0.738 116 1HG ARG 19 HG2 ARG 19 1.706 6.417 1.630 117 2HG ARG 19 HG1 ARG 19 3.326 6.994 2.068 118 1HD ARG 19 HD2 ARG 19 2.936 9.087 1.001 119 2HD ARG 19 HD1 ARG 19 1.421 8.513 0.294 120 HE ARG 19 HE ARG 19 1.260 8.268 3.089 121 1HH1 ARG 19 HH11 ARG 19 1.418 10.776 0.619 122 2HH1 ARG 19 HH12 ARG 19 0.491 11.903 1.555 123 1HH2 ARG 19 HH21 ARG 19 0.057 9.741 4.291 124 2HH2 ARG 19 HH22 ARG 19 -0.254 11.339 3.667 125 H ASP 20 HN ASP 20 1.851 3.682 -1.174 126 HA ASP 20 HA ASP 20 0.057 3.263 1.033 127 1HB ASP 20 HB2 ASP 20 -0.784 3.739 -1.223 128 2HB ASP 20 HB1 ASP 20 -0.070 2.251 -1.812 129 H THR 21 HN THR 21 1.969 1.156 -1.094 130 HA THR 21 HA THR 21 1.139 -1.160 0.420 131 HB THR 21 HB THR 21 2.981 -0.993 -1.963 132 HG1 THR 21 HG1 THR 21 0.169 -1.393 -1.684 133 1HG2 THR 21 HG21 THR 21 1.552 -3.360 -0.758 134 2HG2 THR 21 HG22 THR 21 3.282 -3.044 -0.651 135 3HG2 THR 21 HG23 THR 21 2.533 -3.386 -2.213 136 H LEU 22 HN LEU 22 4.079 0.708 -0.065 137 HA LEU 22 HA LEU 22 5.833 -1.214 1.103 138 1HB LEU 22 HB2 LEU 22 6.542 0.421 -0.587 139 2HB LEU 22 HB1 LEU 22 6.197 1.728 0.526 140 HG LEU 22 HG LEU 22 8.011 0.892 2.010 141 1HD1 LEU 22 HD11 LEU 22 7.981 -1.465 1.347 142 2HD1 LEU 22 HD12 LEU 22 9.601 -0.762 1.143 143 3HD1 LEU 22 HD13 LEU 22 8.553 -1.012 -0.257 144 1HD2 LEU 22 HD21 LEU 22 8.425 2.649 0.398 145 2HD2 LEU 22 HD22 LEU 22 8.818 1.443 -0.825 146 3HD2 LEU 22 HD23 LEU 22 9.851 1.626 0.597 147 H GLN 23 HN GLN 23 5.210 -1.727 3.136 148 HA GLN 23 HA GLN 23 4.667 0.273 5.126 149 1HB GLN 23 HB2 GLN 23 4.988 -2.728 5.273 150 2HB GLN 23 HB1 GLN 23 4.594 -1.722 6.660 151 1HG GLN 23 HG2 GLN 23 2.514 -1.017 5.500 152 2HG GLN 23 HG1 GLN 23 2.923 -2.109 4.173 153 1HE2 GLN 23 HE21 GLN 23 3.563 -2.859 7.532 154 2HE2 GLN 23 HE22 GLN 23 2.406 -4.132 7.677 155 HA PRO 24 HA PRO 24 8.760 0.746 6.872 156 1HB PRO 24 HB2 PRO 24 7.420 0.262 9.477 157 2HB PRO 24 HB1 PRO 24 8.431 1.631 8.980 158 1HG PRO 24 HG2 PRO 24 5.788 1.899 9.202 159 2HG PRO 24 HG1 PRO 24 6.687 2.698 7.900 160 1HD PRO 24 HD2 PRO 24 4.953 0.260 7.784 161 2HD PRO 24 HD1 PRO 24 5.164 1.563 6.606 162 H GLY 25 HN GLY 25 10.153 -0.877 6.707 163 1HA GLY 25 HA2 GLY 25 11.164 -2.785 7.875 164 2HA GLY 25 HA1 GLY 25 9.529 -3.405 8.090 165 H MET 26 HN MET 26 9.076 -2.285 5.236 166 HA MET 26 HA MET 26 9.707 -4.743 3.882 167 1HB MET 26 HB2 MET 26 8.354 -2.218 3.026 168 2HB MET 26 HB1 MET 26 8.816 -3.424 1.838 169 1HG MET 26 HG2 MET 26 7.456 -5.081 3.054 170 2HG MET 26 HG1 MET 26 6.932 -3.809 4.158 171 1HE MET 26 HE1 MET 26 5.086 -5.770 2.281 172 2HE MET 26 HE2 MET 26 3.821 -4.612 1.830 173 3HE MET 26 HE3 MET 26 4.447 -4.635 3.479 174 H ARG 27 HN ARG 27 11.199 -5.079 2.333 175 HA ARG 27 HA ARG 27 13.510 -3.362 2.372 176 1HB ARG 27 HB2 ARG 27 13.398 -5.962 2.291 177 2HB ARG 27 HB1 ARG 27 13.221 -5.744 0.551 178 1HG ARG 27 HG2 ARG 27 15.333 -4.506 0.495 179 2HG ARG 27 HG1 ARG 27 15.528 -4.744 2.231 180 1HD ARG 27 HD2 ARG 27 15.353 -7.221 1.801 181 2HD ARG 27 HD1 ARG 27 15.471 -6.835 0.093 182 HE ARG 27 HE ARG 27 17.633 -5.761 1.672 183 1HH1 ARG 27 HH11 ARG 27 16.469 -8.417 -0.261 184 2HH1 ARG 27 HH12 ARG 27 18.036 -9.151 -0.453 185 1HH2 ARG 27 HH21 ARG 27 19.693 -6.699 1.447 186 2HH2 ARG 27 HH22 ARG 27 19.897 -8.154 0.503 187 H VAL 28 HN VAL 28 14.478 -2.342 0.688 188 HA VAL 28 HA VAL 28 12.831 -1.914 -1.743 189 HB VAL 28 HB VAL 28 13.493 0.466 -1.761 190 1HG1 VAL 28 HG11 VAL 28 12.086 -0.437 0.759 191 2HG1 VAL 28 HG12 VAL 28 11.351 -0.167 -0.823 192 3HG1 VAL 28 HG13 VAL 28 12.014 1.201 0.064 193 1HG2 VAL 28 HG21 VAL 28 14.443 1.483 0.250 194 2HG2 VAL 28 HG22 VAL 28 15.546 0.305 -0.457 195 3HG2 VAL 28 HG23 VAL 28 14.625 -0.113 0.989 196 H ARG 29 HN ARG 29 14.013 -1.183 -3.596 197 HA ARG 29 HA ARG 29 16.879 -1.849 -3.507 198 1HB ARG 29 HB2 ARG 29 15.598 -3.701 -4.511 199 2HB ARG 29 HB1 ARG 29 14.912 -2.577 -5.679 200 1HG ARG 29 HG2 ARG 29 16.973 -2.270 -6.777 201 2HG ARG 29 HG1 ARG 29 17.850 -3.098 -5.479 202 1HD ARG 29 HD2 ARG 29 15.813 -4.363 -7.319 203 2HD ARG 29 HD1 ARG 29 17.554 -4.533 -7.447 204 HE ARG 29 HE ARG 29 17.113 -5.390 -4.943 205 1HH1 ARG 29 HH11 ARG 29 15.526 -6.247 -7.966 206 2HH1 ARG 29 HH12 ARG 29 15.146 -7.855 -7.447 207 1HH2 ARG 29 HH21 ARG 29 16.660 -7.484 -4.292 208 2HH2 ARG 29 HH22 ARG 29 15.831 -8.574 -5.372 209 H MET 30 HN MET 30 18.202 -0.444 -4.441 210 HA MET 30 HA MET 30 17.097 1.994 -5.539 211 1HB MET 30 HB2 MET 30 18.959 1.979 -3.854 212 2HB MET 30 HB1 MET 30 19.988 1.260 -5.076 213 1HG MET 30 HG2 MET 30 20.456 3.587 -4.976 214 2HG MET 30 HG1 MET 30 19.605 3.267 -6.496 215 1HE MET 30 HE1 MET 30 19.248 5.893 -6.681 216 2HE MET 30 HE2 MET 30 20.000 6.168 -5.113 217 3HE MET 30 HE3 MET 30 18.416 6.874 -5.471 218 H LEU 31 HN LEU 31 17.026 2.448 -7.671 219 HA LEU 31 HA LEU 31 18.526 0.654 -9.441 220 1HB LEU 31 HB2 LEU 31 16.740 1.315 -11.162 221 2HB LEU 31 HB1 LEU 31 16.349 0.143 -9.919 222 HG LEU 31 HG LEU 31 15.068 1.800 -8.683 223 1HD1 LEU 31 HD11 LEU 31 15.737 3.728 -10.908 224 2HD1 LEU 31 HD12 LEU 31 16.341 3.816 -9.250 225 3HD1 LEU 31 HD13 LEU 31 14.621 3.999 -9.572 226 1HD2 LEU 31 HD21 LEU 31 14.369 1.711 -11.624 227 2HD2 LEU 31 HD22 LEU 31 13.267 2.144 -10.316 228 3HD2 LEU 31 HD23 LEU 31 13.938 0.505 -10.403 229 H ASP 32 HN ASP 32 19.110 3.435 -8.212 230 HA ASP 32 HA ASP 32 20.069 4.588 -10.712 231 1HB ASP 32 HB2 ASP 32 17.912 5.677 -10.145 232 2HB ASP 32 HB1 ASP 32 18.619 6.245 -8.643 233 H ASP 33 HN ASP 33 21.839 6.097 -10.408 234 HA ASP 33 HA ASP 33 23.416 5.460 -8.033 235 1HB ASP 33 HB2 ASP 33 24.445 5.125 -10.269 236 2HB ASP 33 HB1 ASP 33 24.204 6.837 -10.612 237 H TYR 34 HN TYR 34 23.661 6.951 -6.399 238 HA TYR 34 HA TYR 34 23.456 9.766 -6.952 239 1HB TYR 34 HB2 TYR 34 21.087 9.191 -6.983 240 2HB TYR 34 HB1 TYR 34 21.222 8.469 -5.373 241 HD1 TYR 34 HD1 TYR 34 20.860 9.804 -3.468 242 HD2 TYR 34 HD2 TYR 34 21.649 11.706 -7.191 243 HE1 TYR 34 HE1 TYR 34 20.341 11.977 -2.467 244 HE2 TYR 34 HE2 TYR 34 21.137 13.881 -6.194 245 HH TYR 34 HH TYR 34 20.928 14.405 -2.892 246 H GLU 35 HN GLU 35 25.392 9.999 -5.867 247 HA GLU 35 HA GLU 35 26.312 11.207 -4.168 248 1HB GLU 35 HB2 GLU 35 23.779 11.635 -3.718 249 2HB GLU 35 HB1 GLU 35 24.019 10.550 -2.355 250 1HG GLU 35 HG2 GLU 35 25.852 12.897 -2.707 251 2HG GLU 35 HG1 GLU 35 24.213 13.147 -2.072 252 H GLU 36 HN GLU 36 25.307 7.963 -3.653 253 HA GLU 36 HA GLU 36 27.412 7.189 -1.999 254 1HB GLU 36 HB2 GLU 36 26.407 8.585 -0.280 255 2HB GLU 36 HB1 GLU 36 24.844 7.803 -0.504 256 1HG GLU 36 HG2 GLU 36 25.783 6.945 1.469 257 2HG GLU 36 HG1 GLU 36 25.887 5.670 0.244 258 H ILE 37 HN ILE 37 24.052 6.781 -2.875 259 HA ILE 37 HA ILE 37 24.307 3.874 -2.646 260 HB ILE 37 HB ILE 37 21.812 5.366 -3.449 261 1HG1 ILE 37 HG12 ILE 37 22.568 6.290 -1.311 262 2HG1 ILE 37 HG11 ILE 37 21.131 5.306 -1.073 263 1HG2 ILE 37 HG21 ILE 37 20.690 3.360 -2.604 264 2HG2 ILE 37 HG22 ILE 37 22.258 2.677 -2.181 265 3HG2 ILE 37 HG23 ILE 37 21.852 2.973 -3.876 266 1HD1 ILE 37 HD11 ILE 37 22.528 3.457 -0.284 267 2HD1 ILE 37 HD12 ILE 37 22.755 4.921 0.679 268 3HD1 ILE 37 HD13 ILE 37 23.965 4.460 -0.520 269 H SER 38 HN SER 38 23.932 2.490 -4.424 270 HA SER 38 HA SER 38 24.203 3.833 -7.033 271 1HB SER 38 HB2 SER 38 25.566 1.242 -6.226 272 2HB SER 38 HB1 SER 38 25.822 2.164 -7.722 273 HG SER 38 HG SER 38 26.709 2.665 -5.095 274 H ALA 39 HN ALA 39 23.648 2.317 -8.858 275 HA ALA 39 HA ALA 39 21.075 1.262 -8.453 276 1HB ALA 39 HB1 ALA 39 21.816 2.239 -10.590 277 2HB ALA 39 HB2 ALA 39 21.158 0.621 -10.788 278 3HB ALA 39 HB3 ALA 39 22.907 0.868 -10.821 279 H GLY 40 HN GLY 40 20.481 -0.704 -7.804 280 1HA GLY 40 HA2 GLY 40 20.669 -3.106 -7.920 281 2HA GLY 40 HA1 GLY 40 22.403 -2.917 -8.043 282 H ASP 41 HN ASP 41 22.077 -0.759 -5.845 283 HA ASP 41 HA ASP 41 22.561 -2.486 -3.648 284 1HB ASP 41 HB2 ASP 41 22.366 0.483 -3.955 285 2HB ASP 41 HB1 ASP 41 22.448 -0.249 -2.347 286 H GLU 42 HN GLU 42 21.334 -2.593 -1.697 287 HA GLU 42 HA GLU 42 18.507 -1.938 -2.017 288 1HB GLU 42 HB2 GLU 42 19.675 -4.581 -1.180 289 2HB GLU 42 HB1 GLU 42 17.984 -4.159 -0.921 290 1HG GLU 42 HG2 GLU 42 17.589 -3.970 -3.264 291 2HG GLU 42 HG1 GLU 42 19.307 -4.177 -3.612 292 H GLY 43 HN GLY 43 17.283 -1.932 -0.016 293 1HA GLY 43 HA2 GLY 43 18.674 -1.958 2.511 294 2HA GLY 43 HA1 GLY 43 18.197 -0.347 1.970 295 H GLU 44 HN GLU 44 16.972 -0.571 4.093 296 HA GLU 44 HA GLU 44 14.404 -1.952 3.585 297 1HB GLU 44 HB2 GLU 44 15.661 -2.959 5.476 298 2HB GLU 44 HB1 GLU 44 15.694 -1.390 6.273 299 1HG GLU 44 HG2 GLU 44 13.231 -1.413 6.389 300 2HG GLU 44 HG1 GLU 44 13.230 -3.006 5.622 301 H PHE 45 HN PHE 45 12.506 -0.835 4.054 302 HA PHE 45 HA PHE 45 12.827 2.070 3.986 303 1HB PHE 45 HB2 PHE 45 11.336 1.282 2.341 304 2HB PHE 45 HB1 PHE 45 10.540 0.181 3.463 305 HD1 PHE 45 HD1 PHE 45 8.608 0.841 4.608 306 HD2 PHE 45 HD2 PHE 45 11.034 3.777 2.708 307 HE1 PHE 45 HE1 PHE 45 6.886 2.517 5.041 308 HE2 PHE 45 HE2 PHE 45 9.306 5.465 3.151 309 HZ PHE 45 HZ PHE 45 7.234 4.850 4.321 310 H ARG 46 HN ARG 46 12.607 3.278 5.816 311 HA ARG 46 HA ARG 46 11.317 2.014 8.116 312 1HB ARG 46 HB2 ARG 46 13.340 4.240 7.886 313 2HB ARG 46 HB1 ARG 46 12.504 3.852 9.385 314 1HG ARG 46 HG2 ARG 46 13.461 1.678 9.462 315 2HG ARG 46 HG1 ARG 46 14.126 1.851 7.834 316 1HD ARG 46 HD2 ARG 46 15.796 2.156 9.616 317 2HD ARG 46 HD1 ARG 46 15.639 3.560 8.556 318 HE ARG 46 HE ARG 46 14.105 4.415 10.448 319 1HH1 ARG 46 HH11 ARG 46 16.852 2.295 11.016 320 2HH1 ARG 46 HH12 ARG 46 17.336 3.115 12.474 321 1HH2 ARG 46 HH21 ARG 46 14.722 5.457 12.372 322 2HH2 ARG 46 HH22 ARG 46 16.122 4.914 13.246 323 H GLN 47 HN GLN 47 11.491 5.200 6.523 324 HA GLN 47 HA GLN 47 8.833 5.811 7.531 325 1HB GLN 47 HB2 GLN 47 10.353 6.411 9.370 326 2HB GLN 47 HB1 GLN 47 11.251 7.460 8.290 327 1HG GLN 47 HG2 GLN 47 9.305 8.878 8.000 328 2HG GLN 47 HG1 GLN 47 8.361 7.815 9.052 329 1HE2 GLN 47 HE21 GLN 47 11.721 8.606 9.634 330 2HE2 GLN 47 HE22 GLN 47 11.429 9.577 11.032 331 H SER 48 HN SER 48 7.812 7.567 6.559 332 HA SER 48 HA SER 48 9.292 8.928 4.404 333 1HB SER 48 HB2 SER 48 6.361 8.111 4.359 334 2HB SER 48 HB1 SER 48 7.221 8.983 3.084 335 HG SER 48 HG SER 48 7.894 6.398 4.024 336 H ASN 49 HN ASN 49 8.653 11.147 4.050 337 HA ASN 49 HA ASN 49 7.555 12.433 6.421 338 1HB ASN 49 HB2 ASN 49 8.490 13.593 3.787 339 2HB ASN 49 HB1 ASN 49 7.990 14.542 5.172 340 1HD2 ASN 49 HD21 ASN 49 9.162 12.785 7.159 341 2HD2 ASN 49 HD22 ASN 49 10.879 13.014 7.059 342 H ASN 50 HN ASN 50 6.010 14.436 5.706 343 HA ASN 50 HA ASN 50 3.538 13.151 5.326 344 1HB ASN 50 HB2 ASN 50 3.874 15.309 6.560 345 2HB ASN 50 HB1 ASN 50 4.058 16.125 5.027 346 1HD2 ASN 50 HD21 ASN 50 2.283 17.409 5.243 347 2HD2 ASN 50 HD22 ASN 50 0.673 16.797 5.192 348 H GLY 51 HN GLY 51 5.048 15.595 3.172 349 1HA GLY 51 HA2 GLY 51 4.051 14.087 0.871 350 2HA GLY 51 HA1 GLY 51 3.314 15.665 1.126 351 H VAL 52 HN VAL 52 6.689 15.085 1.878 352 HA VAL 52 HA VAL 52 7.394 16.772 -0.413 353 HB VAL 52 HB VAL 52 9.538 17.197 0.824 354 1HG1 VAL 52 HG11 VAL 52 7.735 18.822 0.835 355 2HG1 VAL 52 HG12 VAL 52 8.517 18.790 2.419 356 3HG1 VAL 52 HG13 VAL 52 6.961 18.005 2.168 357 1HG2 VAL 52 HG21 VAL 52 9.474 15.229 2.280 358 2HG2 VAL 52 HG22 VAL 52 8.055 15.863 3.102 359 3HG2 VAL 52 HG23 VAL 52 9.597 16.715 3.224 360 HA PRO 53 HA PRO 53 9.775 13.816 -2.600 361 1HB PRO 53 HB2 PRO 53 12.233 15.428 -2.223 362 2HB PRO 53 HB1 PRO 53 11.453 14.860 -3.704 363 1HG PRO 53 HG2 PRO 53 11.317 17.425 -2.842 364 2HG PRO 53 HG1 PRO 53 10.050 16.658 -3.818 365 1HD PRO 53 HD2 PRO 53 10.061 17.401 -0.962 366 2HD PRO 53 HD1 PRO 53 8.689 17.182 -2.071 367 HA PRO 54 HA PRO 54 13.479 12.840 0.491 368 1HB PRO 54 HB2 PRO 54 12.277 14.036 2.930 369 2HB PRO 54 HB1 PRO 54 13.974 13.884 2.473 370 1HG PRO 54 HG2 PRO 54 12.713 16.226 2.277 371 2HG PRO 54 HG1 PRO 54 13.887 15.727 1.049 372 1HD PRO 54 HD2 PRO 54 10.910 15.761 0.927 373 2HD PRO 54 HD1 PRO 54 12.089 16.080 -0.349 374 H VAL 55 HN VAL 55 13.324 10.809 0.947 375 HA VAL 55 HA VAL 55 11.199 9.864 2.734 376 HB VAL 55 HB VAL 55 10.618 9.160 0.422 377 1HG1 VAL 55 HG11 VAL 55 12.826 8.967 -0.556 378 2HG1 VAL 55 HG12 VAL 55 11.979 7.434 -0.716 379 3HG1 VAL 55 HG13 VAL 55 13.232 7.629 0.523 380 1HG2 VAL 55 HG21 VAL 55 10.278 6.794 0.904 381 2HG2 VAL 55 HG22 VAL 55 9.900 7.805 2.298 382 3HG2 VAL 55 HG23 VAL 55 11.415 6.903 2.247 383 H GLN 56 HN GLN 56 11.875 8.362 4.266 384 HA GLN 56 HA GLN 56 14.790 8.416 4.610 385 1HB GLN 56 HB2 GLN 56 13.436 9.431 6.380 386 2HB GLN 56 HB1 GLN 56 12.574 7.903 6.584 387 1HG GLN 56 HG2 GLN 56 14.566 6.800 7.336 388 2HG GLN 56 HG1 GLN 56 15.516 8.262 7.043 389 1HE2 GLN 56 HE21 GLN 56 15.366 9.972 8.454 390 2HE2 GLN 56 HE22 GLN 56 14.605 9.849 10.007 391 H VAL 57 HN VAL 57 15.769 6.679 3.929 392 HA VAL 57 HA VAL 57 14.550 4.030 4.403 393 HB VAL 57 HB VAL 57 16.238 4.897 2.059 394 1HG1 VAL 57 HG11 VAL 57 15.060 2.189 2.607 395 2HG1 VAL 57 HG12 VAL 57 16.780 2.626 2.704 396 3HG1 VAL 57 HG13 VAL 57 15.923 2.690 1.158 397 1HG2 VAL 57 HG21 VAL 57 14.249 4.450 0.728 398 2HG2 VAL 57 HG22 VAL 57 13.965 5.711 1.932 399 3HG2 VAL 57 HG23 VAL 57 13.354 4.075 2.202 400 H PHE 58 HN PHE 58 15.867 2.498 5.348 401 HA PHE 58 HA PHE 58 18.521 3.366 6.179 402 1HB PHE 58 HB2 PHE 58 17.068 2.400 7.898 403 2HB PHE 58 HB1 PHE 58 16.908 0.918 6.959 404 HD1 PHE 58 HD1 PHE 58 18.542 -0.796 7.112 405 HD2 PHE 58 HD2 PHE 58 19.287 3.032 8.817 406 HE1 PHE 58 HE1 PHE 58 20.543 -1.697 8.271 407 HE2 PHE 58 HE2 PHE 58 21.284 2.150 9.960 408 HZ PHE 58 HZ PHE 58 21.912 -0.207 9.679 409 H TRP 59 HN TRP 59 20.094 2.959 4.792 410 HA TRP 59 HA TRP 59 19.753 0.802 2.868 411 1HB TRP 59 HB2 TRP 59 21.771 3.038 3.087 412 2HB TRP 59 HB1 TRP 59 21.850 1.784 1.836 413 HD1 TRP 59 HD1 TRP 59 20.192 5.051 2.666 414 HE1 TRP 59 HE1 TRP 59 18.528 5.679 0.797 415 HE3 TRP 59 HE3 TRP 59 20.103 0.621 0.108 416 HZ2 TRP 59 HZ2 TRP 59 17.331 4.467 -1.420 417 HZ3 TRP 59 HZ3 TRP 59 18.669 0.435 -1.878 418 HH2 TRP 59 HH2 TRP 59 17.310 2.334 -2.619 419 H GLU 60 HN GLU 60 20.524 -1.092 3.209 420 HA GLU 60 HA GLU 60 22.062 -1.682 5.533 421 1HB GLU 60 HB2 GLU 60 21.959 -4.035 4.698 422 2HB GLU 60 HB1 GLU 60 20.382 -3.267 4.818 423 1HG GLU 60 HG2 GLU 60 20.454 -2.783 2.404 424 2HG GLU 60 HG1 GLU 60 21.983 -3.657 2.299 425 H SER 61 HN SER 61 22.744 -0.986 2.278 426 HA SER 61 HA SER 61 25.234 -2.258 1.972 427 1HB SER 61 HB2 SER 61 23.774 -1.332 0.129 428 2HB SER 61 HB1 SER 61 24.307 0.281 0.604 429 HG SER 61 HG SER 61 25.476 -0.956 -1.150 430 H THR 62 HN THR 62 24.323 1.023 2.995 431 HA THR 62 HA THR 62 27.108 1.657 3.608 432 HB THR 62 HB THR 62 24.781 3.505 4.115 433 HG1 THR 62 HG1 THR 62 26.143 3.228 1.616 434 1HG2 THR 62 HG21 THR 62 26.477 5.215 3.530 435 2HG2 THR 62 HG22 THR 62 27.663 3.931 3.304 436 3HG2 THR 62 HG23 THR 62 26.975 4.218 4.906 437 H GLY 63 HN GLY 63 24.162 0.753 5.173 438 1HA GLY 63 HA2 GLY 63 23.825 0.132 7.386 439 2HA GLY 63 HA1 GLY 63 25.498 0.597 7.726 440 H ARG 64 HN ARG 64 23.272 2.737 6.135 441 HA ARG 64 HA ARG 64 23.046 4.375 8.561 442 1HB ARG 64 HB2 ARG 64 24.124 5.303 5.871 443 2HB ARG 64 HB1 ARG 64 23.553 6.401 7.122 444 1HG ARG 64 HG2 ARG 64 25.807 4.436 7.470 445 2HG ARG 64 HG1 ARG 64 25.996 6.138 7.091 446 1HD ARG 64 HD2 ARG 64 24.729 6.679 9.165 447 2HD ARG 64 HD1 ARG 64 24.767 4.962 9.587 448 HE ARG 64 HE ARG 64 27.391 5.713 9.104 449 1HH1 ARG 64 HH11 ARG 64 24.822 6.564 11.343 450 2HH1 ARG 64 HH12 ARG 64 25.916 7.003 12.626 451 1HH2 ARG 64 HH21 ARG 64 28.821 6.363 10.807 452 2HH2 ARG 64 HH22 ARG 64 28.158 6.897 12.324 453 H THR 65 HN THR 65 21.317 5.881 8.547 454 HA THR 65 HA THR 65 19.159 5.275 6.750 455 HB THR 65 HB THR 65 18.119 7.309 8.069 456 HG1 THR 65 HG1 THR 65 20.382 7.665 8.967 457 1HG2 THR 65 HG21 THR 65 18.744 4.685 9.415 458 2HG2 THR 65 HG22 THR 65 17.399 4.988 8.323 459 3HG2 THR 65 HG23 THR 65 17.463 5.804 9.880 460 H TYR 66 HN TYR 66 18.428 6.544 5.101 461 HA TYR 66 HA TYR 66 19.842 9.049 4.542 462 1HB TYR 66 HB2 TYR 66 21.112 7.150 3.472 463 2HB TYR 66 HB1 TYR 66 19.683 6.841 2.477 464 HD1 TYR 66 HD1 TYR 66 21.978 9.620 3.426 465 HD2 TYR 66 HD2 TYR 66 19.580 7.863 0.391 466 HE1 TYR 66 HE1 TYR 66 22.774 11.312 1.838 467 HE2 TYR 66 HE2 TYR 66 20.365 9.537 -1.226 468 HH TYR 66 HH TYR 66 23.042 11.557 -0.585 469 H TRP 67 HN TRP 67 18.713 10.500 3.264 470 HA TRP 67 HA TRP 67 15.928 9.793 2.771 471 1HB TRP 67 HB2 TRP 67 17.356 12.470 2.884 472 2HB TRP 67 HB1 TRP 67 15.663 12.283 2.422 473 HD1 TRP 67 HD1 TRP 67 13.905 11.802 4.354 474 HE1 TRP 67 HE1 TRP 67 14.050 11.916 6.929 475 HE3 TRP 67 HE3 TRP 67 18.984 12.019 4.878 476 HZ2 TRP 67 HZ2 TRP 67 16.053 12.076 8.902 477 HZ3 TRP 67 HZ3 TRP 67 19.932 12.154 7.137 478 HH2 TRP 67 HH2 TRP 67 18.490 12.181 9.097 479 H VAL 68 HN VAL 68 15.390 9.131 0.828 480 HA VAL 68 HA VAL 68 16.973 10.038 -1.497 481 HB VAL 68 HB VAL 68 15.247 7.596 -1.657 482 1HG1 VAL 68 HG11 VAL 68 16.459 8.253 -3.618 483 2HG1 VAL 68 HG12 VAL 68 17.163 6.775 -2.993 484 3HG1 VAL 68 HG13 VAL 68 17.976 8.317 -2.716 485 1HG2 VAL 68 HG21 VAL 68 16.279 7.181 0.474 486 2HG2 VAL 68 HG22 VAL 68 17.867 7.643 -0.146 487 3HG2 VAL 68 HG23 VAL 68 17.068 6.184 -0.737 488 H HIS 69 HN HIS 69 15.455 9.706 -3.594 489 HA HIS 69 HA HIS 69 12.894 11.001 -3.003 490 1HB HIS 69 HB2 HIS 69 14.222 10.471 -5.683 491 2HB HIS 69 HB1 HIS 69 12.756 11.402 -5.432 492 HD1 HIS 69 HD1 HIS 69 15.742 12.283 -6.566 493 HD2 HIS 69 HD2 HIS 69 13.880 13.304 -2.979 494 HE1 HIS 69 HE1 HIS 69 16.799 14.446 -5.864 495 HE2 HIS 69 HE2 HIS 69 15.558 15.127 -3.768 496 H TRP 70 HN TRP 70 10.968 10.021 -3.227 497 HA TRP 70 HA TRP 70 10.494 7.366 -3.148 498 1HB TRP 70 HB2 TRP 70 8.732 9.316 -4.623 499 2HB TRP 70 HB1 TRP 70 8.219 7.797 -3.880 500 HD1 TRP 70 HD1 TRP 70 9.711 11.203 -2.788 501 HE1 TRP 70 HE1 TRP 70 8.735 11.814 -0.489 502 HE3 TRP 70 HE3 TRP 70 6.954 6.988 -1.963 503 HZ2 TRP 70 HZ2 TRP 70 7.016 10.672 1.399 504 HZ3 TRP 70 HZ3 TRP 70 5.649 6.827 0.113 505 HH2 TRP 70 HH2 TRP 70 5.692 8.635 1.768 506 H HIS 71 HN HIS 71 10.541 9.277 -6.134 507 HA HIS 71 HA HIS 71 9.677 7.067 -7.738 508 1HB HIS 71 HB2 HIS 71 9.836 8.542 -9.620 509 2HB HIS 71 HB1 HIS 71 9.231 9.474 -8.256 510 HD1 HIS 71 HD1 HIS 71 12.328 9.084 -10.397 511 HD2 HIS 71 HD2 HIS 71 10.835 11.577 -7.401 512 HE1 HIS 71 HE1 HIS 71 13.839 11.088 -10.354 513 HE2 HIS 71 HE2 HIS 71 12.913 12.607 -8.554 514 H MET 72 HN MET 72 12.731 7.610 -6.445 515 HA MET 72 HA MET 72 14.046 6.456 -8.821 516 1HB MET 72 HB2 MET 72 16.110 7.385 -8.048 517 2HB MET 72 HB1 MET 72 14.900 8.655 -7.954 518 1HG MET 72 HG2 MET 72 14.660 7.993 -5.507 519 2HG MET 72 HG1 MET 72 16.170 7.099 -5.732 520 1HE MET 72 HE1 MET 72 17.509 9.124 -7.951 521 2HE MET 72 HE2 MET 72 18.416 8.320 -6.670 522 3HE MET 72 HE3 MET 72 18.534 10.062 -6.878 523 H LEU 73 HN LEU 73 12.502 5.106 -6.529 524 HA LEU 73 HA LEU 73 14.569 3.081 -6.109 525 1HB LEU 73 HB2 LEU 73 13.734 2.724 -3.779 526 2HB LEU 73 HB1 LEU 73 14.547 4.239 -4.026 527 HG LEU 73 HG LEU 73 12.107 5.179 -4.344 528 1HD1 LEU 73 HD11 LEU 73 10.457 4.027 -2.989 529 2HD1 LEU 73 HD12 LEU 73 11.600 2.716 -2.685 530 3HD1 LEU 73 HD13 LEU 73 11.004 3.010 -4.311 531 1HD2 LEU 73 HD21 LEU 73 13.631 5.873 -2.589 532 2HD2 LEU 73 HD22 LEU 73 13.258 4.417 -1.668 533 3HD2 LEU 73 HD23 LEU 73 12.017 5.634 -1.930 534 H GLU 74 HN GLU 74 13.802 0.950 -5.729 535 HA GLU 74 HA GLU 74 11.154 0.463 -6.908 536 1HB GLU 74 HB2 GLU 74 13.709 -1.091 -6.739 537 2HB GLU 74 HB1 GLU 74 12.184 -1.941 -6.962 538 1HG GLU 74 HG2 GLU 74 13.053 0.312 -8.719 539 2HG GLU 74 HG1 GLU 74 13.517 -1.364 -9.025 540 H ILE 75 HN ILE 75 9.624 -0.710 -5.849 541 HA ILE 75 HA ILE 75 10.065 -1.158 -3.003 542 HB ILE 75 HB ILE 75 8.109 0.172 -3.669 543 1HG1 ILE 75 HG12 ILE 75 8.143 -1.354 -1.613 544 2HG1 ILE 75 HG11 ILE 75 6.597 -0.706 -2.138 545 1HG2 ILE 75 HG21 ILE 75 7.609 -0.877 -5.796 546 2HG2 ILE 75 HG22 ILE 75 6.185 -0.822 -4.761 547 3HG2 ILE 75 HG23 ILE 75 7.061 -2.335 -4.961 548 1HD1 ILE 75 HD11 ILE 75 6.434 -3.053 -1.474 549 2HD1 ILE 75 HD12 ILE 75 7.597 -3.498 -2.725 550 3HD1 ILE 75 HD13 ILE 75 6.026 -2.830 -3.174 551 H LEU 76 HN LEU 76 10.555 -3.104 -2.273 552 HA LEU 76 HA LEU 76 10.025 -5.435 -3.963 553 1HB LEU 76 HB2 LEU 76 11.841 -4.931 -1.624 554 2HB LEU 76 HB1 LEU 76 11.385 -6.561 -2.047 555 HG LEU 76 HG LEU 76 13.560 -6.024 -2.998 556 1HD1 LEU 76 HD11 LEU 76 12.080 -7.522 -4.254 557 2HD1 LEU 76 HD12 LEU 76 13.113 -6.575 -5.328 558 3HD1 LEU 76 HD13 LEU 76 11.417 -6.132 -5.116 559 1HD2 LEU 76 HD21 LEU 76 13.774 -4.289 -4.703 560 2HD2 LEU 76 HD22 LEU 76 13.329 -3.615 -3.126 561 3HD2 LEU 76 HD23 LEU 76 12.114 -3.778 -4.394 562 H GLY 77 HN GLY 77 9.663 -4.489 -0.561 563 1HA GLY 77 HA2 GLY 77 7.824 -4.880 0.835 564 2HA GLY 77 HA1 GLY 77 7.124 -5.851 -0.463 565 H PHE 78 HN PHE 78 6.889 -7.905 0.086 566 HA PHE 78 HA PHE 78 9.134 -9.274 1.363 567 1HB PHE 78 HB2 PHE 78 6.259 -9.390 2.331 568 2HB PHE 78 HB1 PHE 78 7.456 -10.613 2.748 569 HD1 PHE 78 HD1 PHE 78 9.620 -9.785 3.899 570 HD2 PHE 78 HD2 PHE 78 6.021 -7.507 3.660 571 HE1 PHE 78 HE1 PHE 78 10.364 -8.420 5.787 572 HE2 PHE 78 HE2 PHE 78 6.782 -6.119 5.544 573 HZ PHE 78 HZ PHE 78 8.963 -6.571 6.621 574 H GLU 79 HN GLU 79 6.006 -10.719 1.012 575 HA GLU 79 HA GLU 79 5.065 -12.194 -0.385 576 1HB GLU 79 HB2 GLU 79 6.943 -10.894 -2.328 577 2HB GLU 79 HB1 GLU 79 5.853 -12.197 -2.806 578 1HG GLU 79 HG2 GLU 79 4.938 -10.002 -3.341 579 2HG GLU 79 HG1 GLU 79 3.927 -10.855 -2.186 580 H GLU 80 HN GLU 80 8.490 -12.272 -1.286 581 HA GLU 80 HA GLU 80 8.608 -15.042 -1.718 582 1HB GLU 80 HB2 GLU 80 10.246 -13.333 -2.522 583 2HB GLU 80 HB1 GLU 80 10.886 -13.214 -0.902 584 1HG GLU 80 HG2 GLU 80 11.584 -15.519 -0.980 585 2HG GLU 80 HG1 GLU 80 10.853 -15.722 -2.564 Start of MODEL 9 1 H MET 4 HN MET 4 13.562 5.610 -16.777 2 HA MET 4 HA MET 4 14.226 3.422 -14.970 3 1HB MET 4 HB2 MET 4 13.036 6.063 -14.050 4 2HB MET 4 HB1 MET 4 13.138 4.608 -13.062 5 1HG MET 4 HG2 MET 4 15.529 4.700 -13.076 6 2HG MET 4 HG1 MET 4 15.517 6.040 -14.209 7 1HE MET 4 HE1 MET 4 13.129 5.468 -11.119 8 2HE MET 4 HE2 MET 4 14.008 6.353 -9.861 9 3HE MET 4 HE3 MET 4 14.704 4.884 -10.552 10 H ARG 5 HN ARG 5 12.158 2.575 -13.933 11 HA ARG 5 HA ARG 5 10.080 2.295 -15.814 12 1HB ARG 5 HB2 ARG 5 10.153 1.710 -12.860 13 2HB ARG 5 HB1 ARG 5 8.803 1.288 -13.905 14 1HG ARG 5 HG2 ARG 5 9.979 -0.688 -13.765 15 2HG ARG 5 HG1 ARG 5 10.602 0.018 -15.266 16 1HD ARG 5 HD2 ARG 5 12.506 0.937 -13.985 17 2HD ARG 5 HD1 ARG 5 11.896 0.103 -12.550 18 HE ARG 5 HE ARG 5 12.631 -1.378 -15.000 19 1HH1 ARG 5 HH11 ARG 5 12.940 -0.835 -11.550 20 2HH1 ARG 5 HH12 ARG 5 14.079 -2.129 -11.314 21 1HH2 ARG 5 HH21 ARG 5 14.083 -3.097 -14.664 22 2HH2 ARG 5 HH22 ARG 5 14.697 -3.436 -13.086 23 H SER 6 HN SER 6 10.735 4.554 -13.320 24 HA SER 6 HA SER 6 8.142 5.598 -12.906 25 1HB SER 6 HB2 SER 6 10.710 7.089 -12.422 26 2HB SER 6 HB1 SER 6 9.217 7.119 -11.462 27 HG SER 6 HG SER 6 10.748 5.850 -10.397 28 H GLU 7 HN GLU 7 9.518 5.592 -15.755 29 HA GLU 7 HA GLU 7 9.743 8.353 -16.452 30 1HB GLU 7 HB2 GLU 7 9.949 7.559 -18.738 31 2HB GLU 7 HB1 GLU 7 10.950 6.608 -17.659 32 1HG GLU 7 HG2 GLU 7 9.369 4.798 -17.695 33 2HG GLU 7 HG1 GLU 7 8.257 5.761 -18.667 34 H PHE 8 HN PHE 8 7.086 7.200 -15.385 35 HA PHE 8 HA PHE 8 5.092 7.491 -17.326 36 1HB PHE 8 HB2 PHE 8 4.983 8.167 -14.376 37 2HB PHE 8 HB1 PHE 8 3.578 8.000 -15.441 38 HD1 PHE 8 HD1 PHE 8 5.896 6.319 -13.310 39 HD2 PHE 8 HD2 PHE 8 3.147 5.728 -16.514 40 HE1 PHE 8 HE1 PHE 8 5.785 3.909 -12.775 41 HE2 PHE 8 HE2 PHE 8 3.040 3.329 -15.995 42 HZ PHE 8 HZ PHE 8 4.369 2.413 -14.132 43 H ALA 9 HN ALA 9 3.341 9.405 -16.834 44 HA ALA 9 HA ALA 9 4.178 11.547 -18.300 45 1HB ALA 9 HB1 ALA 9 2.072 11.665 -16.152 46 2HB ALA 9 HB2 ALA 9 1.843 11.099 -17.809 47 3HB ALA 9 HB3 ALA 9 2.239 12.778 -17.512 48 H SER 10 HN SER 10 4.057 11.471 -14.760 49 HA SER 10 HA SER 10 6.205 13.470 -14.752 50 1HB SER 10 HB2 SER 10 4.007 14.526 -14.156 51 2HB SER 10 HB1 SER 10 3.893 13.449 -12.765 52 HG SER 10 HG SER 10 6.215 14.985 -13.098 53 H GLY 11 HN GLY 11 5.672 10.434 -14.352 54 1HA GLY 11 HA2 GLY 11 6.672 8.763 -13.112 55 2HA GLY 11 HA1 GLY 11 7.578 9.999 -12.257 56 H ASN 12 HN ASN 12 4.285 10.596 -12.261 57 HA ASN 12 HA ASN 12 4.227 10.513 -9.431 58 1HB ASN 12 HB2 ASN 12 1.865 11.215 -9.638 59 2HB ASN 12 HB1 ASN 12 2.971 12.243 -10.565 60 1HD2 ASN 12 HD21 ASN 12 0.090 11.676 -10.833 61 2HD2 ASN 12 HD22 ASN 12 -0.130 11.160 -12.475 62 H THR 13 HN THR 13 2.546 8.479 -11.879 63 HA THR 13 HA THR 13 1.101 6.858 -10.252 64 HB THR 13 HB THR 13 2.760 5.823 -12.578 65 HG1 THR 13 HG1 THR 13 0.276 7.269 -12.588 66 1HG2 THR 13 HG21 THR 13 0.022 5.055 -11.548 67 2HG2 THR 13 HG22 THR 13 1.507 4.137 -11.290 68 3HG2 THR 13 HG23 THR 13 0.866 4.327 -12.922 69 H TYR 14 HN TYR 14 4.564 6.580 -10.916 70 HA TYR 14 HA TYR 14 4.948 4.185 -9.467 71 1HB TYR 14 HB2 TYR 14 6.513 5.188 -11.196 72 2HB TYR 14 HB1 TYR 14 7.050 6.280 -9.934 73 HD1 TYR 14 HD1 TYR 14 6.776 2.707 -10.826 74 HD2 TYR 14 HD2 TYR 14 8.651 5.606 -8.377 75 HE1 TYR 14 HE1 TYR 14 8.359 0.983 -10.030 76 HE2 TYR 14 HE2 TYR 14 10.245 3.911 -7.572 77 HH TYR 14 HH TYR 14 10.461 1.539 -7.360 78 H ALA 15 HN ALA 15 5.594 7.573 -8.625 79 HA ALA 15 HA ALA 15 6.307 7.299 -6.002 80 1HB ALA 15 HB1 ALA 15 4.645 9.484 -7.255 81 2HB ALA 15 HB2 ALA 15 6.401 9.385 -7.236 82 3HB ALA 15 HB3 ALA 15 5.513 9.605 -5.736 83 H LEU 16 HN LEU 16 3.069 7.340 -7.401 84 HA LEU 16 HA LEU 16 1.640 7.525 -4.991 85 1HB LEU 16 HB2 LEU 16 0.702 8.088 -7.200 86 2HB LEU 16 HB1 LEU 16 0.785 6.390 -7.635 87 HG LEU 16 HG LEU 16 -0.823 5.886 -5.810 88 1HD1 LEU 16 HD11 LEU 16 -2.135 7.752 -4.888 89 2HD1 LEU 16 HD12 LEU 16 -1.061 8.892 -5.693 90 3HD1 LEU 16 HD13 LEU 16 -0.437 7.852 -4.421 91 1HD2 LEU 16 HD21 LEU 16 -2.772 6.763 -7.000 92 2HD2 LEU 16 HD22 LEU 16 -1.580 6.042 -8.096 93 3HD2 LEU 16 HD23 LEU 16 -1.705 7.798 -7.940 94 H TYR 17 HN TYR 17 2.590 4.844 -7.033 95 HA TYR 17 HA TYR 17 1.295 2.794 -5.676 96 1HB TYR 17 HB2 TYR 17 2.283 2.603 -7.956 97 2HB TYR 17 HB1 TYR 17 3.886 2.613 -7.216 98 HD1 TYR 17 HD1 TYR 17 0.849 0.657 -7.757 99 HD2 TYR 17 HD2 TYR 17 4.721 0.661 -6.029 100 HE1 TYR 17 HE1 TYR 17 0.730 -1.788 -7.524 101 HE2 TYR 17 HE2 TYR 17 4.622 -1.784 -5.796 102 HH TYR 17 HH TYR 17 2.341 -3.684 -7.351 103 H VAL 18 HN VAL 18 4.651 3.909 -5.425 104 HA VAL 18 HA VAL 18 5.437 2.022 -3.515 105 HB VAL 18 HB VAL 18 7.351 3.492 -3.042 106 1HG1 VAL 18 HG11 VAL 18 7.432 1.908 -4.888 107 2HG1 VAL 18 HG12 VAL 18 8.299 3.383 -5.312 108 3HG1 VAL 18 HG13 VAL 18 6.683 3.096 -5.953 109 1HG2 VAL 18 HG21 VAL 18 5.997 5.394 -4.938 110 2HG2 VAL 18 HG22 VAL 18 7.656 5.531 -4.364 111 3HG2 VAL 18 HG23 VAL 18 6.327 5.662 -3.220 112 H ARG 19 HN ARG 19 4.183 5.347 -2.961 113 HA ARG 19 HA ARG 19 4.563 5.462 -0.235 114 1HB ARG 19 HB2 ARG 19 2.161 6.505 -1.737 115 2HB ARG 19 HB1 ARG 19 2.698 7.012 -0.137 116 1HG ARG 19 HG2 ARG 19 4.808 7.801 -1.194 117 2HG ARG 19 HG1 ARG 19 4.087 7.446 -2.765 118 1HD ARG 19 HD2 ARG 19 3.221 9.453 -0.724 119 2HD ARG 19 HD1 ARG 19 3.680 9.730 -2.402 120 HE ARG 19 HE ARG 19 1.399 8.034 -2.272 121 1HH1 ARG 19 HH11 ARG 19 2.356 11.367 -1.782 122 2HH1 ARG 19 HH12 ARG 19 0.785 12.005 -2.173 123 1HH2 ARG 19 HH21 ARG 19 -0.656 8.855 -2.764 124 2HH2 ARG 19 HH22 ARG 19 -0.927 10.568 -2.754 125 H ASP 20 HN ASP 20 1.940 3.934 -1.982 126 HA ASP 20 HA ASP 20 0.520 3.302 0.436 127 1HB ASP 20 HB2 ASP 20 -0.686 3.884 -1.654 128 2HB ASP 20 HB1 ASP 20 -0.066 2.401 -2.390 129 H THR 21 HN THR 21 2.355 1.487 -1.994 130 HA THR 21 HA THR 21 1.658 -1.025 -0.782 131 HB THR 21 HB THR 21 3.634 -0.451 -2.999 132 HG1 THR 21 HG1 THR 21 0.846 -1.079 -2.989 133 1HG2 THR 21 HG21 THR 21 3.247 -2.814 -3.593 134 2HG2 THR 21 HG22 THR 21 2.266 -2.998 -2.144 135 3HG2 THR 21 HG23 THR 21 3.991 -2.643 -2.001 136 H LEU 22 HN LEU 22 4.408 1.140 -0.713 137 HA LEU 22 HA LEU 22 6.027 -0.897 0.592 138 1HB LEU 22 HB2 LEU 22 6.761 0.834 -1.293 139 2HB LEU 22 HB1 LEU 22 7.050 1.848 0.110 140 HG LEU 22 HG LEU 22 8.269 -0.890 -0.215 141 1HD1 LEU 22 HD11 LEU 22 9.029 0.506 -2.040 142 2HD1 LEU 22 HD12 LEU 22 10.321 0.289 -0.867 143 3HD1 LEU 22 HD13 LEU 22 9.405 1.805 -0.908 144 1HD2 LEU 22 HD21 LEU 22 9.840 -0.067 1.478 145 2HD2 LEU 22 HD22 LEU 22 8.174 -0.069 2.072 146 3HD2 LEU 22 HD23 LEU 22 8.935 1.437 1.576 147 H GLN 23 HN GLN 23 5.213 -1.066 2.620 148 HA GLN 23 HA GLN 23 4.765 1.320 4.230 149 1HB GLN 23 HB2 GLN 23 3.923 -0.289 5.886 150 2HB GLN 23 HB1 GLN 23 3.089 -0.435 4.351 151 1HG GLN 23 HG2 GLN 23 4.423 -2.375 3.799 152 2HG GLN 23 HG1 GLN 23 5.318 -2.212 5.317 153 1HE2 GLN 23 HE21 GLN 23 2.924 -1.454 6.805 154 2HE2 GLN 23 HE22 GLN 23 1.982 -2.895 7.011 155 HA PRO 24 HA PRO 24 8.524 1.278 6.639 156 1HB PRO 24 HB2 PRO 24 6.744 1.012 9.021 157 2HB PRO 24 HB1 PRO 24 8.049 2.185 8.700 158 1HG PRO 24 HG2 PRO 24 5.455 2.852 8.513 159 2HG PRO 24 HG1 PRO 24 6.656 3.524 7.409 160 1HD PRO 24 HD2 PRO 24 4.594 1.443 6.917 161 2HD PRO 24 HD1 PRO 24 5.283 2.635 5.803 162 H GLY 25 HN GLY 25 9.818 -0.423 6.864 163 1HA GLY 25 HA2 GLY 25 10.337 -2.435 8.197 164 2HA GLY 25 HA1 GLY 25 8.658 -2.902 7.970 165 H MET 26 HN MET 26 8.700 -1.925 5.170 166 HA MET 26 HA MET 26 9.597 -4.334 3.928 167 1HB MET 26 HB2 MET 26 8.619 -1.745 2.712 168 2HB MET 26 HB1 MET 26 8.947 -3.202 1.800 169 1HG MET 26 HG2 MET 26 6.876 -2.853 3.914 170 2HG MET 26 HG1 MET 26 6.604 -2.999 2.184 171 1HE MET 26 HE1 MET 26 4.855 -4.836 3.847 172 2HE MET 26 HE2 MET 26 5.136 -6.393 3.061 173 3HE MET 26 HE3 MET 26 5.017 -4.926 2.087 174 H ARG 27 HN ARG 27 11.387 -4.779 2.841 175 HA ARG 27 HA ARG 27 13.601 -2.984 2.837 176 1HB ARG 27 HB2 ARG 27 14.009 -5.345 3.044 177 2HB ARG 27 HB1 ARG 27 13.159 -5.666 1.535 178 1HG ARG 27 HG2 ARG 27 14.878 -4.582 0.270 179 2HG ARG 27 HG1 ARG 27 15.707 -4.070 1.751 180 1HD ARG 27 HD2 ARG 27 15.190 -6.957 1.114 181 2HD ARG 27 HD1 ARG 27 16.621 -6.107 0.530 182 HE ARG 27 HE ARG 27 16.938 -5.589 3.031 183 1HH1 ARG 27 HH11 ARG 27 15.598 -8.562 1.772 184 2HH1 ARG 27 HH12 ARG 27 16.220 -9.532 3.073 185 1HH2 ARG 27 HH21 ARG 27 17.714 -6.833 4.768 186 2HH2 ARG 27 HH22 ARG 27 17.381 -8.545 4.798 187 H VAL 28 HN VAL 28 14.616 -2.018 1.035 188 HA VAL 28 HA VAL 28 12.858 -1.641 -1.286 189 HB VAL 28 HB VAL 28 13.569 0.690 -1.439 190 1HG1 VAL 28 HG11 VAL 28 12.549 1.595 0.614 191 2HG1 VAL 28 HG12 VAL 28 12.620 -0.021 1.337 192 3HG1 VAL 28 HG13 VAL 28 11.610 0.280 -0.080 193 1HG2 VAL 28 HG21 VAL 28 14.995 1.719 0.234 194 2HG2 VAL 28 HG22 VAL 28 15.842 0.357 -0.521 195 3HG2 VAL 28 HG23 VAL 28 15.132 0.193 1.080 196 H ARG 29 HN ARG 29 13.950 -1.272 -3.297 197 HA ARG 29 HA ARG 29 16.889 -1.561 -3.192 198 1HB ARG 29 HB2 ARG 29 15.970 -3.607 -4.107 199 2HB ARG 29 HB1 ARG 29 14.995 -2.693 -5.258 200 1HG ARG 29 HG2 ARG 29 16.869 -2.118 -6.549 201 2HG ARG 29 HG1 ARG 29 17.990 -2.484 -5.252 202 1HD ARG 29 HD2 ARG 29 17.959 -4.149 -7.106 203 2HD ARG 29 HD1 ARG 29 17.650 -4.826 -5.507 204 HE ARG 29 HE ARG 29 15.307 -4.119 -7.075 205 1HH1 ARG 29 HH11 ARG 29 17.572 -6.639 -6.144 206 2HH1 ARG 29 HH12 ARG 29 16.445 -7.927 -6.429 207 1HH2 ARG 29 HH21 ARG 29 13.845 -5.839 -7.502 208 2HH2 ARG 29 HH22 ARG 29 14.336 -7.486 -7.196 209 H MET 30 HN MET 30 18.100 -0.216 -4.418 210 HA MET 30 HA MET 30 16.789 2.217 -5.302 211 1HB MET 30 HB2 MET 30 18.885 2.156 -3.879 212 2HB MET 30 HB1 MET 30 19.739 1.566 -5.308 213 1HG MET 30 HG2 MET 30 20.061 3.947 -4.988 214 2HG MET 30 HG1 MET 30 19.170 3.634 -6.475 215 1HE MET 30 HE1 MET 30 17.658 7.033 -5.216 216 2HE MET 30 HE2 MET 30 18.499 6.203 -6.526 217 3HE MET 30 HE3 MET 30 19.332 6.497 -5.007 218 H LEU 31 HN LEU 31 16.269 2.678 -7.318 219 HA LEU 31 HA LEU 31 16.848 0.783 -9.389 220 1HB LEU 31 HB2 LEU 31 15.448 3.442 -9.541 221 2HB LEU 31 HB1 LEU 31 15.415 2.173 -10.757 222 HG LEU 31 HG LEU 31 14.262 2.003 -7.972 223 1HD1 LEU 31 HD11 LEU 31 12.108 2.002 -9.114 224 2HD1 LEU 31 HD12 LEU 31 12.913 2.258 -10.661 225 3HD1 LEU 31 HD13 LEU 31 13.006 3.491 -9.393 226 1HD2 LEU 31 HD21 LEU 31 14.162 0.038 -10.260 227 2HD2 LEU 31 HD22 LEU 31 13.281 -0.114 -8.727 228 3HD2 LEU 31 HD23 LEU 31 15.053 -0.164 -8.750 229 H ASP 32 HN ASP 32 17.872 4.058 -8.619 230 HA ASP 32 HA ASP 32 19.681 3.966 -10.934 231 1HB ASP 32 HB2 ASP 32 17.707 5.359 -11.427 232 2HB ASP 32 HB1 ASP 32 18.095 6.361 -10.031 233 H ASP 33 HN ASP 33 21.545 5.485 -10.752 234 HA ASP 33 HA ASP 33 22.682 5.345 -8.108 235 1HB ASP 33 HB2 ASP 33 23.785 6.557 -10.664 236 2HB ASP 33 HB1 ASP 33 24.701 6.186 -9.197 237 H TYR 34 HN TYR 34 22.766 7.045 -6.668 238 HA TYR 34 HA TYR 34 22.103 9.704 -7.598 239 1HB TYR 34 HB2 TYR 34 19.903 8.667 -7.472 240 2HB TYR 34 HB1 TYR 34 20.232 8.136 -5.821 241 HD1 TYR 34 HD1 TYR 34 19.850 11.175 -7.901 242 HD2 TYR 34 HD2 TYR 34 19.653 9.489 -4.016 243 HE1 TYR 34 HE1 TYR 34 18.860 13.246 -7.064 244 HE2 TYR 34 HE2 TYR 34 18.666 11.574 -3.146 245 HH TYR 34 HH TYR 34 18.566 13.907 -3.706 246 H GLU 35 HN GLU 35 23.959 10.483 -6.683 247 HA GLU 35 HA GLU 35 24.868 11.909 -5.180 248 1HB GLU 35 HB2 GLU 35 22.496 11.195 -3.450 249 2HB GLU 35 HB1 GLU 35 23.613 12.517 -3.160 250 1HG GLU 35 HG2 GLU 35 21.799 12.213 -5.533 251 2HG GLU 35 HG1 GLU 35 21.545 13.297 -4.175 252 H GLU 36 HN GLU 36 24.288 8.675 -4.227 253 HA GLU 36 HA GLU 36 26.488 8.455 -2.462 254 1HB GLU 36 HB2 GLU 36 23.753 8.669 -1.206 255 2HB GLU 36 HB1 GLU 36 25.075 7.833 -0.400 256 1HG GLU 36 HG2 GLU 36 25.035 10.749 -1.164 257 2HG GLU 36 HG1 GLU 36 24.772 10.105 0.457 258 H ILE 37 HN ILE 37 23.385 7.310 -3.457 259 HA ILE 37 HA ILE 37 24.161 4.535 -2.873 260 HB ILE 37 HB ILE 37 21.407 5.537 -3.600 261 1HG1 ILE 37 HG12 ILE 37 22.130 6.639 -1.542 262 2HG1 ILE 37 HG11 ILE 37 20.893 5.437 -1.171 263 1HG2 ILE 37 HG21 ILE 37 20.644 3.460 -2.593 264 2HG2 ILE 37 HG22 ILE 37 22.325 2.997 -2.296 265 3HG2 ILE 37 HG23 ILE 37 21.736 3.158 -3.954 266 1HD1 ILE 37 HD11 ILE 37 22.632 5.354 0.482 267 2HD1 ILE 37 HD12 ILE 37 23.868 5.141 -0.760 268 3HD1 ILE 37 HD13 ILE 37 22.668 3.866 -0.471 269 H SER 38 HN SER 38 23.731 2.928 -4.531 270 HA SER 38 HA SER 38 23.827 4.102 -7.231 271 1HB SER 38 HB2 SER 38 25.258 1.847 -7.610 272 2HB SER 38 HB1 SER 38 25.994 3.380 -7.142 273 HG SER 38 HG SER 38 25.116 1.433 -5.247 274 H ALA 39 HN ALA 39 23.215 2.526 -8.951 275 HA ALA 39 HA ALA 39 20.701 1.417 -8.429 276 1HB ALA 39 HB1 ALA 39 21.372 2.183 -10.629 277 2HB ALA 39 HB2 ALA 39 20.827 0.499 -10.679 278 3HB ALA 39 HB3 ALA 39 22.556 0.875 -10.741 279 H GLY 40 HN GLY 40 20.095 -0.565 -7.714 280 1HA GLY 40 HA2 GLY 40 20.371 -2.945 -7.677 281 2HA GLY 40 HA1 GLY 40 22.110 -2.701 -7.761 282 H ASP 41 HN ASP 41 21.598 -0.473 -5.658 283 HA ASP 41 HA ASP 41 22.260 -2.079 -3.437 284 1HB ASP 41 HB2 ASP 41 21.807 0.857 -3.785 285 2HB ASP 41 HB1 ASP 41 21.969 0.177 -2.178 286 H GLU 42 HN GLU 42 21.136 -2.174 -1.412 287 HA GLU 42 HA GLU 42 18.254 -1.680 -1.609 288 1HB GLU 42 HB2 GLU 42 17.767 -3.907 -0.615 289 2HB GLU 42 HB1 GLU 42 18.423 -3.989 -2.243 290 1HG GLU 42 HG2 GLU 42 20.674 -4.341 -1.178 291 2HG GLU 42 HG1 GLU 42 19.811 -4.583 0.349 292 H GLY 43 HN GLY 43 17.135 -1.836 0.436 293 1HA GLY 43 HA2 GLY 43 18.659 -1.663 2.870 294 2HA GLY 43 HA1 GLY 43 18.085 -0.107 2.294 295 H GLU 44 HN GLU 44 16.963 -0.274 4.445 296 HA GLU 44 HA GLU 44 14.417 -1.733 4.088 297 1HB GLU 44 HB2 GLU 44 15.957 -2.630 5.902 298 2HB GLU 44 HB1 GLU 44 15.680 -1.108 6.757 299 1HG GLU 44 HG2 GLU 44 13.305 -1.546 6.884 300 2HG GLU 44 HG1 GLU 44 13.522 -3.025 5.931 301 H PHE 45 HN PHE 45 12.533 -0.600 4.632 302 HA PHE 45 HA PHE 45 12.866 2.299 4.505 303 1HB PHE 45 HB2 PHE 45 11.292 1.147 2.985 304 2HB PHE 45 HB1 PHE 45 10.377 0.583 4.382 305 HD1 PHE 45 HD1 PHE 45 10.529 2.964 1.847 306 HD2 PHE 45 HD2 PHE 45 9.564 2.569 5.963 307 HE1 PHE 45 HE1 PHE 45 9.115 4.963 1.697 308 HE2 PHE 45 HE2 PHE 45 8.148 4.562 5.834 309 HZ PHE 45 HZ PHE 45 7.912 5.771 3.707 310 H ARG 46 HN ARG 46 12.788 3.481 6.322 311 HA ARG 46 HA ARG 46 11.678 2.227 8.723 312 1HB ARG 46 HB2 ARG 46 13.500 4.648 8.561 313 2HB ARG 46 HB1 ARG 46 13.008 3.800 10.015 314 1HG ARG 46 HG2 ARG 46 14.095 1.726 8.924 315 2HG ARG 46 HG1 ARG 46 14.916 2.908 7.896 316 1HD ARG 46 HD2 ARG 46 16.266 2.343 9.823 317 2HD ARG 46 HD1 ARG 46 15.775 4.042 9.868 318 HE ARG 46 HE ARG 46 14.334 3.566 11.652 319 1HH1 ARG 46 HH11 ARG 46 16.034 0.684 10.609 320 2HH1 ARG 46 HH12 ARG 46 15.717 -0.184 12.076 321 1HH2 ARG 46 HH21 ARG 46 13.894 2.424 13.577 322 2HH2 ARG 46 HH22 ARG 46 14.514 0.803 13.768 323 H GLN 47 HN GLN 47 11.816 5.428 7.177 324 HA GLN 47 HA GLN 47 9.233 6.085 8.357 325 1HB GLN 47 HB2 GLN 47 10.862 6.621 10.085 326 2HB GLN 47 HB1 GLN 47 11.802 7.543 8.944 327 1HG GLN 47 HG2 GLN 47 9.980 9.181 8.764 328 2HG GLN 47 HG1 GLN 47 9.064 8.238 9.971 329 1HE2 GLN 47 HE21 GLN 47 11.810 10.328 9.420 330 2HE2 GLN 47 HE22 GLN 47 12.160 10.638 11.093 331 H SER 48 HN SER 48 8.182 7.795 7.373 332 HA SER 48 HA SER 48 9.586 9.078 5.129 333 1HB SER 48 HB2 SER 48 7.332 9.438 4.104 334 2HB SER 48 HB1 SER 48 7.769 7.740 4.227 335 HG SER 48 HG SER 48 6.108 7.438 5.470 336 H ASN 49 HN ASN 49 9.700 11.303 5.226 337 HA ASN 49 HA ASN 49 9.022 12.319 7.847 338 1HB ASN 49 HB2 ASN 49 10.582 13.525 5.566 339 2HB ASN 49 HB1 ASN 49 10.306 14.355 7.091 340 1HD2 ASN 49 HD21 ASN 49 12.833 13.660 5.977 341 2HD2 ASN 49 HD22 ASN 49 13.582 12.552 7.086 342 H ASN 50 HN ASN 50 6.988 12.837 8.105 343 HA ASN 50 HA ASN 50 5.270 14.322 8.193 344 1HB ASN 50 HB2 ASN 50 6.902 15.855 6.201 345 2HB ASN 50 HB1 ASN 50 5.360 16.441 6.837 346 1HD2 ASN 50 HD21 ASN 50 7.575 14.642 8.823 347 2HD2 ASN 50 HD22 ASN 50 8.062 15.959 9.838 348 H GLY 51 HN GLY 51 6.255 13.429 4.930 349 1HA GLY 51 HA2 GLY 51 4.444 12.181 3.698 350 2HA GLY 51 HA1 GLY 51 3.406 13.534 4.141 351 H VAL 52 HN VAL 52 6.572 13.027 2.676 352 HA VAL 52 HA VAL 52 5.890 14.656 0.412 353 HB VAL 52 HB VAL 52 7.946 16.123 0.743 354 1HG1 VAL 52 HG11 VAL 52 5.596 16.563 2.579 355 2HG1 VAL 52 HG12 VAL 52 5.666 17.008 0.878 356 3HG1 VAL 52 HG13 VAL 52 6.726 17.795 2.035 357 1HG2 VAL 52 HG21 VAL 52 8.897 14.864 2.636 358 2HG2 VAL 52 HG22 VAL 52 7.533 15.381 3.623 359 3HG2 VAL 52 HG23 VAL 52 8.669 16.569 3.009 360 HA PRO 53 HA PRO 53 8.753 12.392 -2.058 361 1HB PRO 53 HB2 PRO 53 10.768 14.461 -2.314 362 2HB PRO 53 HB1 PRO 53 9.641 13.841 -3.525 363 1HG PRO 53 HG2 PRO 53 9.454 16.251 -1.881 364 2HG PRO 53 HG1 PRO 53 8.559 15.824 -3.344 365 1HD PRO 53 HD2 PRO 53 7.443 15.913 -0.858 366 2HD PRO 53 HD1 PRO 53 6.854 14.840 -2.150 367 HA PRO 54 HA PRO 54 12.949 12.622 0.473 368 1HB PRO 54 HB2 PRO 54 12.670 13.882 2.909 369 2HB PRO 54 HB1 PRO 54 13.464 14.574 1.490 370 1HG PRO 54 HG2 PRO 54 10.701 15.026 2.531 371 2HG PRO 54 HG1 PRO 54 11.830 16.171 1.775 372 1HD PRO 54 HD2 PRO 54 9.744 15.127 0.453 373 2HD PRO 54 HD1 PRO 54 11.268 15.486 -0.357 374 H VAL 55 HN VAL 55 13.204 10.757 1.370 375 HA VAL 55 HA VAL 55 11.316 9.834 3.426 376 HB VAL 55 HB VAL 55 10.575 8.830 1.321 377 1HG1 VAL 55 HG11 VAL 55 11.965 7.244 0.076 378 2HG1 VAL 55 HG12 VAL 55 13.339 7.667 1.103 379 3HG1 VAL 55 HG13 VAL 55 12.611 8.887 0.057 380 1HG2 VAL 55 HG21 VAL 55 10.603 6.475 1.969 381 2HG2 VAL 55 HG22 VAL 55 10.324 7.529 3.355 382 3HG2 VAL 55 HG23 VAL 55 11.906 6.822 3.113 383 H GLN 56 HN GLN 56 12.197 8.443 5.008 384 HA GLN 56 HA GLN 56 15.125 8.591 5.120 385 1HB GLN 56 HB2 GLN 56 13.903 9.595 7.004 386 2HB GLN 56 HB1 GLN 56 13.092 8.055 7.307 387 1HG GLN 56 HG2 GLN 56 14.875 8.344 8.891 388 2HG GLN 56 HG1 GLN 56 15.264 7.032 7.791 389 1HE2 GLN 56 HE21 GLN 56 16.068 10.246 8.810 390 2HE2 GLN 56 HE22 GLN 56 17.582 10.361 7.960 391 H VAL 57 HN VAL 57 16.088 6.851 4.346 392 HA VAL 57 HA VAL 57 14.908 4.211 4.951 393 HB VAL 57 HB VAL 57 16.358 5.063 2.437 394 1HG1 VAL 57 HG11 VAL 57 16.971 2.793 2.996 395 2HG1 VAL 57 HG12 VAL 57 15.871 2.787 1.608 396 3HG1 VAL 57 HG13 VAL 57 15.277 2.364 3.217 397 1HG2 VAL 57 HG21 VAL 57 14.207 4.550 1.321 398 2HG2 VAL 57 HG22 VAL 57 14.063 5.861 2.488 399 3HG2 VAL 57 HG23 VAL 57 13.485 4.253 2.908 400 H PHE 58 HN PHE 58 16.226 2.758 5.898 401 HA PHE 58 HA PHE 58 19.007 3.507 6.329 402 1HB PHE 58 HB2 PHE 58 17.733 2.615 8.270 403 2HB PHE 58 HB1 PHE 58 17.433 1.141 7.370 404 HD1 PHE 58 HD1 PHE 58 18.897 -0.666 7.495 405 HD2 PHE 58 HD2 PHE 58 20.206 3.222 8.688 406 HE1 PHE 58 HE1 PHE 58 20.992 -1.634 8.361 407 HE2 PHE 58 HE2 PHE 58 22.299 2.250 9.565 408 HZ PHE 58 HZ PHE 58 22.698 -0.176 9.378 409 H TRP 59 HN TRP 59 20.515 2.830 4.970 410 HA TRP 59 HA TRP 59 19.807 0.782 3.013 411 1HB TRP 59 HB2 TRP 59 22.123 2.716 3.124 412 2HB TRP 59 HB1 TRP 59 21.879 1.538 1.831 413 HD1 TRP 59 HD1 TRP 59 20.657 4.914 3.024 414 HE1 TRP 59 HE1 TRP 59 18.984 5.864 1.296 415 HE3 TRP 59 HE3 TRP 59 20.094 0.771 0.068 416 HZ2 TRP 59 HZ2 TRP 59 17.622 4.971 -0.992 417 HZ3 TRP 59 HZ3 TRP 59 18.596 0.900 -1.864 418 HH2 TRP 59 HH2 TRP 59 17.373 2.960 -2.390 419 H GLU 60 HN GLU 60 20.279 -1.236 3.408 420 HA GLU 60 HA GLU 60 21.935 -2.020 5.558 421 1HB GLU 60 HB2 GLU 60 20.820 -3.699 3.318 422 2HB GLU 60 HB1 GLU 60 21.416 -4.300 4.859 423 1HG GLU 60 HG2 GLU 60 19.617 -3.267 6.045 424 2HG GLU 60 HG1 GLU 60 19.083 -2.411 4.597 425 H SER 61 HN SER 61 22.296 -1.906 2.087 426 HA SER 61 HA SER 61 24.714 -3.287 1.805 427 1HB SER 61 HB2 SER 61 23.237 -2.746 -0.070 428 2HB SER 61 HB1 SER 61 23.537 -1.026 0.161 429 HG SER 61 HG SER 61 24.967 -1.492 -1.344 430 H THR 62 HN THR 62 24.036 0.100 2.549 431 HA THR 62 HA THR 62 26.865 0.813 2.468 432 HB THR 62 HB THR 62 24.542 2.560 3.268 433 HG1 THR 62 HG1 THR 62 25.582 1.938 0.693 434 1HG2 THR 62 HG21 THR 62 26.046 4.366 2.492 435 2HG2 THR 62 HG22 THR 62 27.291 3.170 2.160 436 3HG2 THR 62 HG23 THR 62 26.759 3.452 3.821 437 H GLY 63 HN GLY 63 24.232 1.012 4.805 438 1HA GLY 63 HA2 GLY 63 24.491 0.123 7.035 439 2HA GLY 63 HA1 GLY 63 26.176 0.650 6.988 440 H ARG 64 HN ARG 64 23.768 2.713 5.696 441 HA ARG 64 HA ARG 64 23.667 4.335 8.119 442 1HB ARG 64 HB2 ARG 64 24.247 6.370 6.909 443 2HB ARG 64 HB1 ARG 64 25.569 5.213 6.801 444 1HG ARG 64 HG2 ARG 64 25.025 4.671 4.553 445 2HG ARG 64 HG1 ARG 64 23.496 5.535 4.640 446 1HD ARG 64 HD2 ARG 64 26.190 6.860 4.966 447 2HD ARG 64 HD1 ARG 64 25.386 6.669 3.407 448 HE ARG 64 HE ARG 64 23.681 7.929 5.305 449 1HH1 ARG 64 HH11 ARG 64 26.368 8.512 3.121 450 2HH1 ARG 64 HH12 ARG 64 26.025 10.220 2.982 451 1HH2 ARG 64 HH21 ARG 64 23.240 10.176 5.109 452 2HH2 ARG 64 HH22 ARG 64 24.265 11.146 4.097 453 H THR 65 HN THR 65 21.992 5.930 8.079 454 HA THR 65 HA THR 65 19.766 5.309 6.340 455 HB THR 65 HB THR 65 18.713 7.264 7.654 456 HG1 THR 65 HG1 THR 65 20.994 6.834 9.310 457 1HG2 THR 65 HG21 THR 65 19.708 4.893 9.226 458 2HG2 THR 65 HG22 THR 65 18.299 4.897 8.174 459 3HG2 THR 65 HG23 THR 65 18.307 5.905 9.630 460 H TYR 66 HN TYR 66 18.725 6.984 5.050 461 HA TYR 66 HA TYR 66 20.179 9.379 4.410 462 1HB TYR 66 HB2 TYR 66 21.422 7.678 3.102 463 2HB TYR 66 HB1 TYR 66 19.930 7.210 2.301 464 HD1 TYR 66 HD1 TYR 66 19.474 8.134 0.237 465 HD2 TYR 66 HD2 TYR 66 22.015 10.271 2.906 466 HE1 TYR 66 HE1 TYR 66 19.863 9.827 -1.494 467 HE2 TYR 66 HE2 TYR 66 22.416 11.947 1.185 468 HH TYR 66 HH TYR 66 22.284 12.274 -1.179 469 H TRP 67 HN TRP 67 18.869 10.869 3.267 470 HA TRP 67 HA TRP 67 16.037 10.129 3.153 471 1HB TRP 67 HB2 TRP 67 17.394 12.809 2.642 472 2HB TRP 67 HB1 TRP 67 15.644 12.525 2.740 473 HD1 TRP 67 HD1 TRP 67 14.712 11.773 5.242 474 HE1 TRP 67 HE1 TRP 67 15.572 12.455 7.572 475 HE3 TRP 67 HE3 TRP 67 19.389 13.438 3.943 476 HZ2 TRP 67 HZ2 TRP 67 17.922 13.559 8.703 477 HZ3 TRP 67 HZ3 TRP 67 20.877 14.298 5.702 478 HH2 TRP 67 HH2 TRP 67 20.149 14.345 8.045 479 H VAL 68 HN VAL 68 15.293 9.252 1.305 480 HA VAL 68 HA VAL 68 16.662 9.883 -1.208 481 HB VAL 68 HB VAL 68 14.904 7.473 -0.901 482 1HG1 VAL 68 HG11 VAL 68 17.523 7.972 -2.334 483 2HG1 VAL 68 HG12 VAL 68 15.911 7.992 -3.059 484 3HG1 VAL 68 HG13 VAL 68 16.564 6.493 -2.404 485 1HG2 VAL 68 HG21 VAL 68 17.722 7.561 0.174 486 2HG2 VAL 68 HG22 VAL 68 16.688 6.145 0.048 487 3HG2 VAL 68 HG23 VAL 68 16.257 7.465 1.145 488 H HIS 69 HN HIS 69 14.271 8.411 -2.486 489 HA HIS 69 HA HIS 69 12.367 10.537 -2.445 490 1HB HIS 69 HB2 HIS 69 14.187 10.134 -4.813 491 2HB HIS 69 HB1 HIS 69 12.545 10.755 -5.018 492 HD1 HIS 69 HD1 HIS 69 15.879 11.908 -4.549 493 HD2 HIS 69 HD2 HIS 69 12.144 13.139 -3.220 494 HE1 HIS 69 HE1 HIS 69 16.161 14.318 -3.889 495 HE2 HIS 69 HE2 HIS 69 13.866 15.072 -3.196 496 H TRP 70 HN TRP 70 10.379 9.721 -2.886 497 HA TRP 70 HA TRP 70 9.849 7.064 -2.979 498 1HB TRP 70 HB2 TRP 70 8.183 9.311 -4.113 499 2HB TRP 70 HB1 TRP 70 7.579 7.688 -3.805 500 HD1 TRP 70 HD1 TRP 70 8.260 10.965 -2.151 501 HE1 TRP 70 HE1 TRP 70 7.569 10.853 0.337 502 HE3 TRP 70 HE3 TRP 70 7.534 5.931 -1.748 503 HZ2 TRP 70 HZ2 TRP 70 6.833 8.903 2.193 504 HZ3 TRP 70 HZ3 TRP 70 6.825 5.022 0.427 505 HH2 TRP 70 HH2 TRP 70 6.477 6.483 2.358 506 H HIS 71 HN HIS 71 10.075 9.189 -5.836 507 HA HIS 71 HA HIS 71 9.146 7.153 -7.578 508 1HB HIS 71 HB2 HIS 71 9.563 8.650 -9.405 509 2HB HIS 71 HB1 HIS 71 8.894 9.573 -8.061 510 HD1 HIS 71 HD1 HIS 71 11.848 9.333 -10.286 511 HD2 HIS 71 HD2 HIS 71 10.713 11.357 -6.835 512 HE1 HIS 71 HE1 HIS 71 13.497 11.195 -10.038 513 HE2 HIS 71 HE2 HIS 71 12.667 12.552 -8.085 514 H MET 72 HN MET 72 12.130 7.260 -6.089 515 HA MET 72 HA MET 72 13.287 5.797 -8.380 516 1HB MET 72 HB2 MET 72 15.526 6.487 -7.529 517 2HB MET 72 HB1 MET 72 14.519 7.835 -8.051 518 1HG MET 72 HG2 MET 72 13.930 8.259 -5.698 519 2HG MET 72 HG1 MET 72 15.064 6.988 -5.224 520 1HE MET 72 HE1 MET 72 14.786 10.489 -7.095 521 2HE MET 72 HE2 MET 72 15.648 9.438 -8.218 522 3HE MET 72 HE3 MET 72 16.490 10.785 -7.446 523 H LEU 73 HN LEU 73 11.766 4.928 -5.799 524 HA LEU 73 HA LEU 73 13.793 3.025 -4.827 525 1HB LEU 73 HB2 LEU 73 11.321 4.106 -3.485 526 2HB LEU 73 HB1 LEU 73 12.279 2.808 -2.839 527 HG LEU 73 HG LEU 73 13.234 5.620 -3.281 528 1HD1 LEU 73 HD11 LEU 73 12.619 4.107 -0.749 529 2HD1 LEU 73 HD12 LEU 73 11.670 5.440 -1.430 530 3HD1 LEU 73 HD13 LEU 73 13.308 5.737 -0.852 531 1HD2 LEU 73 HD21 LEU 73 15.254 4.924 -2.135 532 2HD2 LEU 73 HD22 LEU 73 15.020 3.991 -3.607 533 3HD2 LEU 73 HD23 LEU 73 14.651 3.276 -2.038 534 H GLU 74 HN GLU 74 13.437 0.880 -5.060 535 HA GLU 74 HA GLU 74 10.968 0.062 -6.393 536 1HB GLU 74 HB2 GLU 74 13.128 -0.726 -7.317 537 2HB GLU 74 HB1 GLU 74 13.492 -1.521 -5.786 538 1HG GLU 74 HG2 GLU 74 11.489 -2.932 -6.101 539 2HG GLU 74 HG1 GLU 74 11.256 -2.206 -7.690 540 H ILE 75 HN ILE 75 9.411 -1.007 -5.364 541 HA ILE 75 HA ILE 75 9.678 -1.543 -2.550 542 HB ILE 75 HB ILE 75 7.571 -0.652 -3.419 543 1HG1 ILE 75 HG12 ILE 75 7.702 -2.207 -1.383 544 2HG1 ILE 75 HG11 ILE 75 6.117 -1.899 -2.077 545 1HG2 ILE 75 HG21 ILE 75 6.037 -2.094 -4.716 546 2HG2 ILE 75 HG22 ILE 75 7.329 -3.271 -4.908 547 3HG2 ILE 75 HG23 ILE 75 7.488 -1.658 -5.611 548 1HD1 ILE 75 HD11 ILE 75 6.371 -4.226 -1.443 549 2HD1 ILE 75 HD12 ILE 75 7.791 -4.363 -2.489 550 3HD1 ILE 75 HD13 ILE 75 6.201 -4.066 -3.196 551 H LEU 76 HN LEU 76 10.547 -3.332 -1.790 552 HA LEU 76 HA LEU 76 10.532 -5.715 -3.464 553 1HB LEU 76 HB2 LEU 76 12.737 -4.697 -2.789 554 2HB LEU 76 HB1 LEU 76 12.347 -5.112 -1.141 555 HG LEU 76 HG LEU 76 12.359 -7.500 -1.700 556 1HD1 LEU 76 HD11 LEU 76 13.142 -8.244 -3.899 557 2HD1 LEU 76 HD12 LEU 76 13.203 -6.564 -4.446 558 3HD1 LEU 76 HD13 LEU 76 11.650 -7.313 -4.046 559 1HD2 LEU 76 HD21 LEU 76 14.762 -7.692 -2.117 560 2HD2 LEU 76 HD22 LEU 76 14.420 -6.444 -0.940 561 3HD2 LEU 76 HD23 LEU 76 14.830 -5.997 -2.602 562 H GLY 77 HN GLY 77 10.419 -4.710 -0.064 563 1HA GLY 77 HA2 GLY 77 8.599 -5.349 1.368 564 2HA GLY 77 HA1 GLY 77 8.371 -6.789 0.375 565 H PHE 78 HN PHE 78 8.671 -8.425 1.784 566 HA PHE 78 HA PHE 78 11.314 -9.011 2.568 567 1HB PHE 78 HB2 PHE 78 10.557 -7.362 4.386 568 2HB PHE 78 HB1 PHE 78 9.397 -8.596 4.871 569 HD1 PHE 78 HD1 PHE 78 13.032 -8.010 4.361 570 HD2 PHE 78 HD2 PHE 78 10.032 -10.294 6.352 571 HE1 PHE 78 HE1 PHE 78 14.760 -9.065 5.746 572 HE2 PHE 78 HE2 PHE 78 11.772 -11.369 7.730 573 HZ PHE 78 HZ PHE 78 14.131 -10.739 7.423 574 H GLU 79 HN GLU 79 7.882 -9.636 2.898 575 HA GLU 79 HA GLU 79 8.082 -12.334 3.665 576 1HB GLU 79 HB2 GLU 79 5.858 -11.271 1.945 577 2HB GLU 79 HB1 GLU 79 5.780 -12.536 3.182 578 1HG GLU 79 HG2 GLU 79 4.743 -10.756 4.232 579 2HG GLU 79 HG1 GLU 79 6.399 -10.587 4.809 580 H GLU 80 HN GLU 80 8.098 -10.715 0.580 581 HA GLU 80 HA GLU 80 8.025 -13.214 -0.925 582 1HB GLU 80 HB2 GLU 80 8.206 -10.329 -1.802 583 2HB GLU 80 HB1 GLU 80 8.162 -11.699 -2.903 584 1HG GLU 80 HG2 GLU 80 5.986 -12.351 -1.863 585 2HG GLU 80 HG1 GLU 80 6.024 -10.800 -1.009 Start of MODEL 10 1 H MET 4 HN MET 4 11.211 8.032 -19.361 2 HA MET 4 HA MET 4 13.011 7.132 -17.345 3 1HB MET 4 HB2 MET 4 12.494 9.541 -18.243 4 2HB MET 4 HB1 MET 4 11.193 9.518 -17.063 5 1HG MET 4 HG2 MET 4 13.973 8.878 -16.218 6 2HG MET 4 HG1 MET 4 13.470 10.555 -16.435 7 1HE MET 4 HE1 MET 4 13.468 10.241 -12.536 8 2HE MET 4 HE2 MET 4 13.979 11.214 -13.933 9 3HE MET 4 HE3 MET 4 14.625 9.595 -13.705 10 H ARG 5 HN ARG 5 12.416 7.020 -15.050 11 HA ARG 5 HA ARG 5 10.335 5.254 -14.513 12 1HB ARG 5 HB2 ARG 5 12.452 5.863 -13.128 13 2HB ARG 5 HB1 ARG 5 11.440 7.128 -12.445 14 1HG ARG 5 HG2 ARG 5 11.434 5.236 -10.999 15 2HG ARG 5 HG1 ARG 5 9.825 5.423 -11.704 16 1HD ARG 5 HD2 ARG 5 10.236 3.619 -13.246 17 2HD ARG 5 HD1 ARG 5 11.936 3.534 -12.762 18 HE ARG 5 HE ARG 5 10.432 3.140 -10.481 19 1HH1 ARG 5 HH11 ARG 5 10.935 1.523 -13.551 20 2HH1 ARG 5 HH12 ARG 5 10.722 -0.071 -12.889 21 1HH2 ARG 5 HH21 ARG 5 10.126 1.069 -9.630 22 2HH2 ARG 5 HH22 ARG 5 10.278 -0.330 -10.636 23 H SER 6 HN SER 6 10.345 8.713 -14.671 24 HA SER 6 HA SER 6 7.936 9.099 -13.127 25 1HB SER 6 HB2 SER 6 9.335 11.075 -14.951 26 2HB SER 6 HB1 SER 6 8.221 11.434 -13.634 27 HG SER 6 HG SER 6 10.900 10.629 -13.543 28 H GLU 7 HN GLU 7 8.124 7.555 -15.873 29 HA GLU 7 HA GLU 7 6.409 8.995 -17.648 30 1HB GLU 7 HB2 GLU 7 7.798 6.415 -17.639 31 2HB GLU 7 HB1 GLU 7 6.272 6.393 -18.505 32 1HG GLU 7 HG2 GLU 7 8.453 8.411 -19.011 33 2HG GLU 7 HG1 GLU 7 8.285 6.905 -19.909 34 H PHE 8 HN PHE 8 5.598 7.825 -14.786 35 HA PHE 8 HA PHE 8 3.253 6.317 -15.403 36 1HB PHE 8 HB2 PHE 8 4.256 7.660 -12.902 37 2HB PHE 8 HB1 PHE 8 2.677 6.889 -12.967 38 HD1 PHE 8 HD1 PHE 8 2.485 4.622 -12.548 39 HD2 PHE 8 HD2 PHE 8 6.266 6.212 -13.660 40 HE1 PHE 8 HE1 PHE 8 3.527 2.450 -12.116 41 HE2 PHE 8 HE2 PHE 8 7.313 4.037 -13.234 42 HZ PHE 8 HZ PHE 8 5.956 2.142 -12.436 43 H ALA 9 HN ALA 9 1.107 7.243 -14.209 44 HA ALA 9 HA ALA 9 -0.051 8.708 -16.198 45 1HB ALA 9 HB1 ALA 9 -1.227 7.396 -14.473 46 2HB ALA 9 HB2 ALA 9 -1.964 8.972 -14.801 47 3HB ALA 9 HB3 ALA 9 -0.989 8.733 -13.358 48 H SER 10 HN SER 10 1.056 10.036 -13.089 49 HA SER 10 HA SER 10 1.151 12.672 -14.430 50 1HB SER 10 HB2 SER 10 -0.752 12.369 -12.735 51 2HB SER 10 HB1 SER 10 0.503 12.308 -11.502 52 HG SER 10 HG SER 10 0.374 14.437 -13.368 53 H GLY 11 HN GLY 11 3.108 10.427 -13.759 54 1HA GLY 11 HA2 GLY 11 5.370 10.346 -13.272 55 2HA GLY 11 HA1 GLY 11 5.306 12.077 -12.966 56 H ASN 12 HN ASN 12 3.930 12.565 -10.894 57 HA ASN 12 HA ASN 12 5.302 11.549 -8.669 58 1HB ASN 12 HB2 ASN 12 2.709 13.069 -8.868 59 2HB ASN 12 HB1 ASN 12 3.468 12.653 -7.333 60 1HD2 ASN 12 HD21 ASN 12 3.490 14.735 -10.089 61 2HD2 ASN 12 HD22 ASN 12 4.763 15.779 -9.529 62 H THR 13 HN THR 13 2.484 10.386 -10.315 63 HA THR 13 HA THR 13 1.102 9.025 -8.393 64 HB THR 13 HB THR 13 1.590 7.748 -11.056 65 HG1 THR 13 HG1 THR 13 0.266 10.225 -10.512 66 1HG2 THR 13 HG21 THR 13 -0.838 7.362 -10.944 67 2HG2 THR 13 HG22 THR 13 -0.897 8.224 -9.405 68 3HG2 THR 13 HG23 THR 13 -0.015 6.710 -9.522 69 H TYR 14 HN TYR 14 4.163 8.141 -9.893 70 HA TYR 14 HA TYR 14 4.202 5.452 -9.050 71 1HB TYR 14 HB2 TYR 14 5.671 6.213 -10.835 72 2HB TYR 14 HB1 TYR 14 6.471 7.329 -9.741 73 HD1 TYR 14 HD1 TYR 14 8.494 6.668 -8.885 74 HD2 TYR 14 HD2 TYR 14 5.669 3.696 -9.932 75 HE1 TYR 14 HE1 TYR 14 10.117 4.911 -8.240 76 HE2 TYR 14 HE2 TYR 14 7.246 1.934 -9.289 77 HH TYR 14 HH TYR 14 10.113 2.581 -7.565 78 H ALA 15 HN ALA 15 5.687 8.375 -7.730 79 HA ALA 15 HA ALA 15 6.793 7.298 -5.435 80 1HB ALA 15 HB1 ALA 15 5.656 10.048 -5.812 81 2HB ALA 15 HB2 ALA 15 7.291 9.544 -6.235 82 3HB ALA 15 HB3 ALA 15 6.777 9.553 -4.539 83 H LEU 16 HN LEU 16 3.508 8.260 -6.131 84 HA LEU 16 HA LEU 16 2.591 8.173 -3.444 85 1HB LEU 16 HB2 LEU 16 1.412 9.513 -5.134 86 2HB LEU 16 HB1 LEU 16 1.093 8.054 -6.069 87 HG LEU 16 HG LEU 16 -0.327 7.236 -4.187 88 1HD1 LEU 16 HD11 LEU 16 -0.998 8.813 -2.448 89 2HD1 LEU 16 HD12 LEU 16 0.147 9.994 -3.065 90 3HD1 LEU 16 HD13 LEU 16 0.717 8.490 -2.364 91 1HD2 LEU 16 HD21 LEU 16 -1.057 9.947 -5.285 92 2HD2 LEU 16 HD22 LEU 16 -2.176 8.778 -4.608 93 3HD2 LEU 16 HD23 LEU 16 -1.322 8.388 -6.086 94 H TYR 17 HN TYR 17 2.428 6.022 -6.248 95 HA TYR 17 HA TYR 17 0.900 4.000 -5.145 96 1HB TYR 17 HB2 TYR 17 1.555 4.289 -7.559 97 2HB TYR 17 HB1 TYR 17 3.137 3.618 -7.137 98 HD1 TYR 17 HD1 TYR 17 3.427 1.250 -6.840 99 HD2 TYR 17 HD2 TYR 17 -0.468 2.890 -7.410 100 HE1 TYR 17 HE1 TYR 17 2.537 -1.007 -7.199 101 HE2 TYR 17 HE2 TYR 17 -1.375 0.615 -7.766 102 HH TYR 17 HH TYR 17 0.378 -2.197 -7.034 103 H VAL 18 HN VAL 18 4.436 4.156 -5.410 104 HA VAL 18 HA VAL 18 4.940 1.871 -3.858 105 HB VAL 18 HB VAL 18 7.227 2.690 -3.563 106 1HG1 VAL 18 HG11 VAL 18 7.810 2.808 -5.943 107 2HG1 VAL 18 HG12 VAL 18 6.117 3.069 -6.342 108 3HG1 VAL 18 HG13 VAL 18 6.619 1.540 -5.615 109 1HG2 VAL 18 HG21 VAL 18 7.927 4.832 -4.537 110 2HG2 VAL 18 HG22 VAL 18 6.778 5.079 -3.220 111 3HG2 VAL 18 HG23 VAL 18 6.243 5.228 -4.893 112 H ARG 19 HN ARG 19 4.557 5.248 -2.886 113 HA ARG 19 HA ARG 19 5.243 5.032 -0.196 114 1HB ARG 19 HB2 ARG 19 4.930 7.189 -1.148 115 2HB ARG 19 HB1 ARG 19 3.281 6.813 -1.602 116 1HG ARG 19 HG2 ARG 19 2.703 6.666 0.817 117 2HG ARG 19 HG1 ARG 19 4.335 7.245 1.180 118 1HD ARG 19 HD2 ARG 19 3.943 9.334 0.128 119 2HD ARG 19 HD1 ARG 19 2.455 8.745 -0.635 120 HE ARG 19 HE ARG 19 2.512 8.760 2.277 121 1HH1 ARG 19 HH11 ARG 19 1.626 10.534 -0.615 122 2HH1 ARG 19 HH12 ARG 19 0.318 11.377 0.164 123 1HH2 ARG 19 HH21 ARG 19 0.795 9.876 3.265 124 2HH2 ARG 19 HH22 ARG 19 -0.148 11.016 2.366 125 H ASP 20 HN ASP 20 2.107 4.560 -1.757 126 HA ASP 20 HA ASP 20 0.706 4.135 0.703 127 1HB ASP 20 HB2 ASP 20 -0.364 5.047 -1.328 128 2HB ASP 20 HB1 ASP 20 -0.120 3.509 -2.139 129 H THR 21 HN THR 21 2.546 2.087 -1.327 130 HA THR 21 HA THR 21 1.156 -0.324 -0.381 131 HB THR 21 HB THR 21 3.340 -0.163 -2.475 132 HG1 THR 21 HG1 THR 21 1.756 0.997 -3.403 133 1HG2 THR 21 HG21 THR 21 2.383 -2.288 -3.240 134 2HG2 THR 21 HG22 THR 21 1.215 -2.244 -1.910 135 3HG2 THR 21 HG23 THR 21 2.945 -2.392 -1.569 136 H LEU 22 HN LEU 22 4.162 1.408 -0.157 137 HA LEU 22 HA LEU 22 5.708 -0.771 0.925 138 1HB LEU 22 HB2 LEU 22 6.626 1.131 -0.383 139 2HB LEU 22 HB1 LEU 22 6.283 2.183 0.971 140 HG LEU 22 HG LEU 22 7.846 0.835 2.351 141 1HD1 LEU 22 HD11 LEU 22 7.696 -1.282 1.161 142 2HD1 LEU 22 HD12 LEU 22 9.370 -0.720 1.205 143 3HD1 LEU 22 HD13 LEU 22 8.438 -0.553 -0.274 144 1HD2 LEU 22 HD21 LEU 22 8.570 2.894 1.205 145 2HD2 LEU 22 HD22 LEU 22 9.045 1.925 -0.196 146 3HD2 LEU 22 HD23 LEU 22 9.865 1.712 1.345 147 H GLN 23 HN GLN 23 5.074 -1.529 2.837 148 HA GLN 23 HA GLN 23 4.216 0.237 4.971 149 1HB GLN 23 HB2 GLN 23 4.519 -2.757 4.737 150 2HB GLN 23 HB1 GLN 23 4.101 -1.951 6.248 151 1HG GLN 23 HG2 GLN 23 2.101 -0.992 5.152 152 2HG GLN 23 HG1 GLN 23 2.529 -1.881 3.683 153 1HE2 GLN 23 HE21 GLN 23 3.043 -3.209 6.868 154 2HE2 GLN 23 HE22 GLN 23 1.796 -4.429 6.767 155 HA PRO 24 HA PRO 24 8.049 0.759 7.111 156 1HB PRO 24 HB2 PRO 24 6.561 0.012 9.570 157 2HB PRO 24 HB1 PRO 24 7.496 1.469 9.216 158 1HG PRO 24 HG2 PRO 24 4.811 1.503 9.254 159 2HG PRO 24 HG1 PRO 24 5.754 2.504 8.113 160 1HD PRO 24 HD2 PRO 24 4.226 -0.011 7.639 161 2HD PRO 24 HD1 PRO 24 4.467 1.382 6.590 162 H GLY 25 HN GLY 25 9.670 -0.662 7.223 163 1HA GLY 25 HA2 GLY 25 10.721 -2.553 8.309 164 2HA GLY 25 HA1 GLY 25 9.143 -3.327 8.374 165 H MET 26 HN MET 26 8.789 -2.217 5.507 166 HA MET 26 HA MET 26 9.557 -4.623 4.195 167 1HB MET 26 HB2 MET 26 8.313 -2.052 3.287 168 2HB MET 26 HB1 MET 26 8.898 -3.219 2.108 169 1HG MET 26 HG2 MET 26 7.422 -4.918 3.061 170 2HG MET 26 HG1 MET 26 6.818 -3.727 4.213 171 1HE MET 26 HE1 MET 26 4.360 -4.500 3.240 172 2HE MET 26 HE2 MET 26 5.123 -5.537 2.055 173 3HE MET 26 HE3 MET 26 3.912 -4.366 1.547 174 H ARG 27 HN ARG 27 11.084 -5.017 2.736 175 HA ARG 27 HA ARG 27 13.409 -3.292 2.735 176 1HB ARG 27 HB2 ARG 27 12.837 -6.068 1.959 177 2HB ARG 27 HB1 ARG 27 14.048 -5.267 0.970 178 1HG ARG 27 HG2 ARG 27 15.096 -6.460 2.778 179 2HG ARG 27 HG1 ARG 27 15.308 -4.720 3.013 180 1HD ARG 27 HD2 ARG 27 13.406 -4.746 4.589 181 2HD ARG 27 HD1 ARG 27 13.319 -6.506 4.405 182 HE ARG 27 HE ARG 27 15.887 -6.147 5.117 183 1HH1 ARG 27 HH11 ARG 27 12.860 -5.045 6.499 184 2HH1 ARG 27 HH12 ARG 27 13.519 -4.823 8.081 185 1HH2 ARG 27 HH21 ARG 27 16.750 -5.897 7.225 186 2HH2 ARG 27 HH22 ARG 27 15.728 -5.337 8.517 187 H VAL 28 HN VAL 28 14.272 -2.239 1.087 188 HA VAL 28 HA VAL 28 12.746 -2.065 -1.408 189 HB VAL 28 HB VAL 28 13.278 0.331 -1.528 190 1HG1 VAL 28 HG11 VAL 28 11.787 1.148 0.211 191 2HG1 VAL 28 HG12 VAL 28 11.903 -0.397 1.048 192 3HG1 VAL 28 HG13 VAL 28 11.164 -0.326 -0.550 193 1HG2 VAL 28 HG21 VAL 28 15.347 0.348 -0.249 194 2HG2 VAL 28 HG22 VAL 28 14.466 -0.060 1.218 195 3HG2 VAL 28 HG23 VAL 28 14.209 1.501 0.441 196 H ARG 29 HN ARG 29 14.031 -1.477 -3.254 197 HA ARG 29 HA ARG 29 16.934 -1.630 -2.773 198 1HB ARG 29 HB2 ARG 29 16.040 -3.726 -3.758 199 2HB ARG 29 HB1 ARG 29 15.525 -2.808 -5.171 200 1HG ARG 29 HG2 ARG 29 17.705 -2.452 -5.879 201 2HG ARG 29 HG1 ARG 29 18.389 -2.773 -4.290 202 1HD ARG 29 HD2 ARG 29 18.847 -4.607 -5.820 203 2HD ARG 29 HD1 ARG 29 17.806 -5.127 -4.485 204 HE ARG 29 HE ARG 29 16.725 -4.462 -7.148 205 1HH1 ARG 29 HH11 ARG 29 16.962 -6.568 -4.376 206 2HH1 ARG 29 HH12 ARG 29 15.841 -7.743 -5.003 207 1HH2 ARG 29 HH21 ARG 29 15.257 -5.991 -8.004 208 2HH2 ARG 29 HH22 ARG 29 14.871 -7.410 -7.066 209 H MET 30 HN MET 30 18.237 -0.243 -3.774 210 HA MET 30 HA MET 30 17.077 2.114 -4.938 211 1HB MET 30 HB2 MET 30 19.170 2.039 -3.509 212 2HB MET 30 HB1 MET 30 19.992 1.283 -4.852 213 1HG MET 30 HG2 MET 30 20.527 3.625 -4.779 214 2HG MET 30 HG1 MET 30 19.562 3.298 -6.217 215 1HE MET 30 HE1 MET 30 20.165 6.169 -4.511 216 2HE MET 30 HE2 MET 30 18.628 6.947 -4.889 217 3HE MET 30 HE3 MET 30 19.490 6.047 -6.139 218 H LEU 31 HN LEU 31 16.885 2.667 -6.983 219 HA LEU 31 HA LEU 31 17.534 0.538 -8.892 220 1HB LEU 31 HB2 LEU 31 15.133 0.819 -8.394 221 2HB LEU 31 HB1 LEU 31 15.231 2.507 -8.888 222 HG LEU 31 HG LEU 31 15.944 1.707 -11.128 223 1HD1 LEU 31 HD11 LEU 31 15.419 -0.620 -11.750 224 2HD1 LEU 31 HD12 LEU 31 15.075 -0.963 -10.060 225 3HD1 LEU 31 HD13 LEU 31 16.701 -0.521 -10.543 226 1HD2 LEU 31 HD21 LEU 31 13.678 2.460 -10.713 227 2HD2 LEU 31 HD22 LEU 31 13.239 0.856 -10.115 228 3HD2 LEU 31 HD23 LEU 31 13.665 1.075 -11.817 229 H ASP 32 HN ASP 32 17.832 3.842 -8.073 230 HA ASP 32 HA ASP 32 19.075 4.439 -10.698 231 1HB ASP 32 HB2 ASP 32 17.095 5.854 -10.093 232 2HB ASP 32 HB1 ASP 32 17.979 6.413 -8.673 233 H ASP 33 HN ASP 33 21.104 5.584 -10.654 234 HA ASP 33 HA ASP 33 22.660 4.904 -8.271 235 1HB ASP 33 HB2 ASP 33 23.358 5.382 -11.144 236 2HB ASP 33 HB1 ASP 33 24.585 5.658 -9.909 237 H TYR 34 HN TYR 34 23.929 6.395 -7.177 238 HA TYR 34 HA TYR 34 23.872 9.188 -7.854 239 1HB TYR 34 HB2 TYR 34 21.604 8.735 -6.850 240 2HB TYR 34 HB1 TYR 34 22.402 8.194 -5.381 241 HD1 TYR 34 HD1 TYR 34 22.261 9.674 -3.661 242 HD2 TYR 34 HD2 TYR 34 22.623 11.195 -7.615 243 HE1 TYR 34 HE1 TYR 34 22.165 11.953 -2.786 244 HE2 TYR 34 HE2 TYR 34 22.555 13.488 -6.757 245 HH TYR 34 HH TYR 34 22.806 14.184 -3.353 246 H GLU 35 HN GLU 35 25.284 10.440 -6.422 247 HA GLU 35 HA GLU 35 27.600 9.300 -5.636 248 1HB GLU 35 HB2 GLU 35 26.212 11.715 -4.491 249 2HB GLU 35 HB1 GLU 35 27.874 11.292 -4.124 250 1HG GLU 35 HG2 GLU 35 27.888 12.988 -5.818 251 2HG GLU 35 HG1 GLU 35 28.385 11.451 -6.554 252 H GLU 36 HN GLU 36 24.771 9.710 -3.533 253 HA GLU 36 HA GLU 36 26.153 8.715 -1.251 254 1HB GLU 36 HB2 GLU 36 23.221 9.180 -1.715 255 2HB GLU 36 HB1 GLU 36 23.913 8.719 -0.172 256 1HG GLU 36 HG2 GLU 36 24.435 11.261 -1.720 257 2HG GLU 36 HG1 GLU 36 23.537 11.090 -0.181 258 H ILE 37 HN ILE 37 23.402 7.450 -3.093 259 HA ILE 37 HA ILE 37 24.122 4.757 -2.160 260 HB ILE 37 HB ILE 37 21.348 5.692 -2.877 261 1HG1 ILE 37 HG12 ILE 37 22.059 6.895 -0.888 262 2HG1 ILE 37 HG11 ILE 37 20.865 5.669 -0.444 263 1HG2 ILE 37 HG21 ILE 37 20.629 3.640 -1.783 264 2HG2 ILE 37 HG22 ILE 37 22.315 3.205 -1.497 265 3HG2 ILE 37 HG23 ILE 37 21.709 3.327 -3.152 266 1HD1 ILE 37 HD11 ILE 37 22.613 4.223 0.365 267 2HD1 ILE 37 HD12 ILE 37 22.710 5.799 1.143 268 3HD1 ILE 37 HD13 ILE 37 23.847 5.376 -0.142 269 H SER 38 HN SER 38 23.651 3.023 -3.722 270 HA SER 38 HA SER 38 23.852 4.005 -6.477 271 1HB SER 38 HB2 SER 38 25.536 1.828 -5.201 272 2HB SER 38 HB1 SER 38 25.564 2.275 -6.916 273 HG SER 38 HG SER 38 26.162 4.012 -4.756 274 H ALA 39 HN ALA 39 23.091 2.523 -8.059 275 HA ALA 39 HA ALA 39 20.707 1.274 -7.341 276 1HB ALA 39 HB1 ALA 39 21.187 2.116 -9.592 277 2HB ALA 39 HB2 ALA 39 20.641 0.440 -9.626 278 3HB ALA 39 HB3 ALA 39 22.354 0.818 -9.822 279 H GLY 40 HN GLY 40 20.156 -0.734 -6.798 280 1HA GLY 40 HA2 GLY 40 20.496 -3.132 -6.784 281 2HA GLY 40 HA1 GLY 40 22.231 -2.830 -6.877 282 H ASP 41 HN ASP 41 21.750 -0.629 -4.760 283 HA ASP 41 HA ASP 41 22.340 -2.235 -2.492 284 1HB ASP 41 HB2 ASP 41 22.995 0.226 -2.946 285 2HB ASP 41 HB1 ASP 41 21.391 0.626 -2.338 286 H GLU 42 HN GLU 42 21.051 -2.829 -0.808 287 HA GLU 42 HA GLU 42 18.161 -2.467 -1.209 288 1HB GLU 42 HB2 GLU 42 19.577 -4.779 0.095 289 2HB GLU 42 HB1 GLU 42 17.822 -4.613 -0.056 290 1HG GLU 42 HG2 GLU 42 18.107 -4.600 -2.520 291 2HG GLU 42 HG1 GLU 42 19.819 -4.884 -2.291 292 H GLY 43 HN GLY 43 16.861 -2.074 0.637 293 1HA GLY 43 HA2 GLY 43 18.258 -1.566 3.151 294 2HA GLY 43 HA1 GLY 43 17.587 -0.162 2.323 295 H GLU 44 HN GLU 44 16.677 -0.470 4.723 296 HA GLU 44 HA GLU 44 14.065 -1.834 4.468 297 1HB GLU 44 HB2 GLU 44 15.371 -2.561 6.400 298 2HB GLU 44 HB1 GLU 44 15.582 -0.908 6.946 299 1HG GLU 44 HG2 GLU 44 13.111 -0.783 7.205 300 2HG GLU 44 HG1 GLU 44 13.052 -2.500 6.844 301 H PHE 45 HN PHE 45 12.219 -0.666 4.745 302 HA PHE 45 HA PHE 45 12.460 2.228 4.653 303 1HB PHE 45 HB2 PHE 45 10.907 1.341 3.046 304 2HB PHE 45 HB1 PHE 45 10.116 0.344 4.256 305 HD1 PHE 45 HD1 PHE 45 8.147 1.117 5.221 306 HD2 PHE 45 HD2 PHE 45 10.836 3.921 3.460 307 HE1 PHE 45 HE1 PHE 45 6.507 2.945 5.590 308 HE2 PHE 45 HE2 PHE 45 9.208 5.710 3.835 309 HZ PHE 45 HZ PHE 45 7.043 5.234 4.910 310 H ARG 46 HN ARG 46 12.466 3.308 6.492 311 HA ARG 46 HA ARG 46 11.387 2.019 8.888 312 1HB ARG 46 HB2 ARG 46 13.226 4.408 8.585 313 2HB ARG 46 HB1 ARG 46 12.753 3.678 10.115 314 1HG ARG 46 HG2 ARG 46 13.882 1.639 9.555 315 2HG ARG 46 HG1 ARG 46 14.228 2.236 7.931 316 1HD ARG 46 HD2 ARG 46 16.190 2.389 9.363 317 2HD ARG 46 HD1 ARG 46 15.630 3.989 8.863 318 HE ARG 46 HE ARG 46 14.463 3.906 11.180 319 1HH1 ARG 46 HH11 ARG 46 17.560 2.524 10.374 320 2HH1 ARG 46 HH12 ARG 46 18.272 2.837 11.936 321 1HH2 ARG 46 HH21 ARG 46 15.347 4.285 13.268 322 2HH2 ARG 46 HH22 ARG 46 16.992 3.836 13.585 323 H GLN 47 HN GLN 47 11.457 5.196 7.367 324 HA GLN 47 HA GLN 47 8.742 5.746 7.782 325 1HB GLN 47 HB2 GLN 47 8.914 7.546 9.468 326 2HB GLN 47 HB1 GLN 47 9.321 5.953 10.138 327 1HG GLN 47 HG2 GLN 47 10.949 7.300 11.037 328 2HG GLN 47 HG1 GLN 47 11.777 6.653 9.615 329 1HE2 GLN 47 HE21 GLN 47 13.204 8.402 9.587 330 2HE2 GLN 47 HE22 GLN 47 12.700 9.983 9.076 331 H SER 48 HN SER 48 8.212 8.037 7.177 332 HA SER 48 HA SER 48 10.346 9.538 5.896 333 1HB SER 48 HB2 SER 48 8.034 8.411 4.307 334 2HB SER 48 HB1 SER 48 9.212 9.581 3.694 335 HG SER 48 HG SER 48 10.235 7.257 4.830 336 H ASN 49 HN ASN 49 9.160 11.367 4.519 337 HA ASN 49 HA ASN 49 7.310 12.664 6.409 338 1HB ASN 49 HB2 ASN 49 8.724 13.714 3.946 339 2HB ASN 49 HB1 ASN 49 7.510 14.637 4.832 340 1HD2 ASN 49 HD21 ASN 49 9.894 12.508 6.305 341 2HD2 ASN 49 HD22 ASN 49 10.815 13.759 7.076 342 H ASN 50 HN ASN 50 5.236 12.219 6.146 343 HA ASN 50 HA ASN 50 4.576 10.445 3.960 344 1HB ASN 50 HB2 ASN 50 3.881 10.147 6.385 345 2HB ASN 50 HB1 ASN 50 2.700 11.442 6.091 346 1HD2 ASN 50 HD21 ASN 50 0.976 10.041 6.477 347 2HD2 ASN 50 HD22 ASN 50 0.477 8.836 5.327 348 H GLY 51 HN GLY 51 4.943 12.378 2.444 349 1HA GLY 51 HA2 GLY 51 2.637 12.699 0.990 350 2HA GLY 51 HA1 GLY 51 2.725 14.120 2.053 351 H VAL 52 HN VAL 52 5.858 13.307 1.494 352 HA VAL 52 HA VAL 52 6.052 14.793 -1.014 353 HB VAL 52 HB VAL 52 8.034 16.070 -0.017 354 1HG1 VAL 52 HG11 VAL 52 5.284 16.605 1.088 355 2HG1 VAL 52 HG12 VAL 52 5.916 17.172 -0.455 356 3HG1 VAL 52 HG13 VAL 52 6.608 17.755 1.064 357 1HG2 VAL 52 HG21 VAL 52 6.771 15.111 2.549 358 2HG2 VAL 52 HG22 VAL 52 8.011 16.351 2.421 359 3HG2 VAL 52 HG23 VAL 52 8.379 14.695 1.955 360 HA PRO 53 HA PRO 53 9.181 12.204 -2.602 361 1HB PRO 53 HB2 PRO 53 11.418 13.903 -2.717 362 2HB PRO 53 HB1 PRO 53 10.234 13.586 -3.988 363 1HG PRO 53 HG2 PRO 53 10.412 15.860 -2.074 364 2HG PRO 53 HG1 PRO 53 9.771 15.820 -3.728 365 1HD PRO 53 HD2 PRO 53 8.157 15.953 -1.605 366 2HD PRO 53 HD1 PRO 53 7.712 15.045 -3.062 367 HA PRO 54 HA PRO 54 12.935 12.406 0.572 368 1HB PRO 54 HB2 PRO 54 12.105 13.273 3.102 369 2HB PRO 54 HB1 PRO 54 13.082 14.209 1.954 370 1HG PRO 54 HG2 PRO 54 10.138 14.280 2.456 371 2HG PRO 54 HG1 PRO 54 11.262 15.621 2.155 372 1HD PRO 54 HD2 PRO 54 9.628 14.728 0.246 373 2HD PRO 54 HD1 PRO 54 11.295 15.216 -0.136 374 H VAL 55 HN VAL 55 12.975 10.316 0.817 375 HA VAL 55 HA VAL 55 11.202 9.043 2.772 376 HB VAL 55 HB VAL 55 10.694 8.139 0.586 377 1HG1 VAL 55 HG11 VAL 55 12.397 6.901 -0.732 378 2HG1 VAL 55 HG12 VAL 55 13.646 7.470 0.400 379 3HG1 VAL 55 HG13 VAL 55 12.743 8.622 -0.596 380 1HG2 VAL 55 HG21 VAL 55 12.319 6.193 2.217 381 2HG2 VAL 55 HG22 VAL 55 11.106 5.782 1.004 382 3HG2 VAL 55 HG23 VAL 55 10.625 6.615 2.473 383 H GLN 56 HN GLN 56 12.163 8.050 4.477 384 HA GLN 56 HA GLN 56 15.091 8.296 4.566 385 1HB GLN 56 HB2 GLN 56 13.891 9.416 6.382 386 2HB GLN 56 HB1 GLN 56 13.058 7.913 6.786 387 1HG GLN 56 HG2 GLN 56 14.786 8.304 8.372 388 2HG GLN 56 HG1 GLN 56 15.205 6.885 7.396 389 1HE2 GLN 56 HE21 GLN 56 16.888 8.656 8.999 390 2HE2 GLN 56 HE22 GLN 56 18.110 9.255 7.913 391 H VAL 57 HN VAL 57 16.170 6.547 4.053 392 HA VAL 57 HA VAL 57 14.978 3.906 4.633 393 HB VAL 57 HB VAL 57 16.532 4.756 2.165 394 1HG1 VAL 57 HG11 VAL 57 16.064 2.512 1.312 395 2HG1 VAL 57 HG12 VAL 57 15.346 2.073 2.866 396 3HG1 VAL 57 HG13 VAL 57 17.068 2.450 2.775 397 1HG2 VAL 57 HG21 VAL 57 13.654 3.956 2.490 398 2HG2 VAL 57 HG22 VAL 57 14.461 4.304 0.967 399 3HG2 VAL 57 HG23 VAL 57 14.237 5.574 2.169 400 H PHE 58 HN PHE 58 16.349 2.376 5.472 401 HA PHE 58 HA PHE 58 19.097 3.229 6.038 402 1HB PHE 58 HB2 PHE 58 17.810 2.311 7.933 403 2HB PHE 58 HB1 PHE 58 17.533 0.812 7.024 404 HD1 PHE 58 HD1 PHE 58 20.235 2.959 8.438 405 HD2 PHE 58 HD2 PHE 58 19.032 -0.963 7.215 406 HE1 PHE 58 HE1 PHE 58 22.328 2.026 9.378 407 HE2 PHE 58 HE2 PHE 58 21.115 -1.882 8.146 408 HZ PHE 58 HZ PHE 58 22.756 -0.405 9.242 409 H TRP 59 HN TRP 59 20.538 2.769 4.576 410 HA TRP 59 HA TRP 59 20.046 0.574 2.700 411 1HB TRP 59 HB2 TRP 59 22.055 2.826 2.579 412 2HB TRP 59 HB1 TRP 59 21.818 1.634 1.326 413 HD1 TRP 59 HD1 TRP 59 20.373 4.851 2.672 414 HE1 TRP 59 HE1 TRP 59 18.433 5.596 1.151 415 HE3 TRP 59 HE3 TRP 59 19.883 0.631 -0.161 416 HZ2 TRP 59 HZ2 TRP 59 16.899 4.526 -0.936 417 HZ3 TRP 59 HZ3 TRP 59 18.136 0.569 -1.905 418 HH2 TRP 59 HH2 TRP 59 16.663 2.472 -2.280 419 H GLU 60 HN GLU 60 21.199 -1.280 2.755 420 HA GLU 60 HA GLU 60 22.735 -1.733 5.076 421 1HB GLU 60 HB2 GLU 60 22.968 -4.059 4.253 422 2HB GLU 60 HB1 GLU 60 21.305 -3.484 4.274 423 1HG GLU 60 HG2 GLU 60 21.361 -3.138 1.880 424 2HG GLU 60 HG1 GLU 60 23.054 -3.624 1.833 425 H SER 61 HN SER 61 23.629 -1.531 1.615 426 HA SER 61 HA SER 61 26.253 -2.472 1.974 427 1HB SER 61 HB2 SER 61 25.317 -0.585 -0.192 428 2HB SER 61 HB1 SER 61 26.645 -1.729 -0.290 429 HG SER 61 HG SER 61 23.867 -2.171 -0.331 430 H THR 62 HN THR 62 24.948 0.807 1.953 431 HA THR 62 HA THR 62 27.518 2.029 2.516 432 HB THR 62 HB THR 62 24.745 3.236 2.750 433 HG1 THR 62 HG1 THR 62 24.862 2.646 0.635 434 1HG2 THR 62 HG21 THR 62 25.937 5.354 2.354 435 2HG2 THR 62 HG22 THR 62 27.467 4.478 2.324 436 3HG2 THR 62 HG23 THR 62 26.525 4.527 3.811 437 H GLY 63 HN GLY 63 24.909 0.638 4.218 438 1HA GLY 63 HA2 GLY 63 24.465 0.301 6.453 439 2HA GLY 63 HA1 GLY 63 26.168 0.638 6.739 440 H ARG 64 HN ARG 64 23.892 2.857 5.293 441 HA ARG 64 HA ARG 64 23.852 4.529 7.697 442 1HB ARG 64 HB2 ARG 64 24.808 5.332 4.958 443 2HB ARG 64 HB1 ARG 64 24.203 6.508 6.119 444 1HG ARG 64 HG2 ARG 64 25.941 6.015 7.658 445 2HG ARG 64 HG1 ARG 64 26.464 4.635 6.708 446 1HD ARG 64 HD2 ARG 64 27.865 6.731 6.493 447 2HD ARG 64 HD1 ARG 64 27.300 6.012 4.985 448 HE ARG 64 HE ARG 64 25.614 7.755 4.882 449 1HH1 ARG 64 HH11 ARG 64 28.237 8.264 7.147 450 2HH1 ARG 64 HH12 ARG 64 28.155 9.994 7.054 451 1HH2 ARG 64 HH21 ARG 64 25.518 10.039 4.745 452 2HH2 ARG 64 HH22 ARG 64 26.616 11.003 5.703 453 H THR 65 HN THR 65 22.042 5.910 7.850 454 HA THR 65 HA THR 65 19.822 5.342 6.123 455 HB THR 65 HB THR 65 18.724 7.155 7.587 456 HG1 THR 65 HG1 THR 65 20.291 8.200 8.615 457 1HG2 THR 65 HG21 THR 65 19.790 4.669 8.906 458 2HG2 THR 65 HG22 THR 65 18.347 4.750 7.897 459 3HG2 THR 65 HG23 THR 65 18.392 5.602 9.439 460 H TYR 66 HN TYR 66 18.821 6.805 4.736 461 HA TYR 66 HA TYR 66 20.038 9.406 4.314 462 1HB TYR 66 HB2 TYR 66 21.524 7.915 3.016 463 2HB TYR 66 HB1 TYR 66 20.127 7.339 2.093 464 HD1 TYR 66 HD1 TYR 66 19.737 8.317 0.038 465 HD2 TYR 66 HD2 TYR 66 21.758 10.586 3.023 466 HE1 TYR 66 HE1 TYR 66 20.017 10.165 -1.564 467 HE2 TYR 66 HE2 TYR 66 22.010 12.458 1.454 468 HH TYR 66 HH TYR 66 20.330 12.648 -1.496 469 H TRP 67 HN TRP 67 18.683 10.804 3.203 470 HA TRP 67 HA TRP 67 15.926 9.872 2.894 471 1HB TRP 67 HB2 TRP 67 17.031 12.691 2.634 472 2HB TRP 67 HB1 TRP 67 15.336 12.219 2.767 473 HD1 TRP 67 HD1 TRP 67 14.439 11.481 5.184 474 HE1 TRP 67 HE1 TRP 67 15.320 11.982 7.553 475 HE3 TRP 67 HE3 TRP 67 19.152 13.040 3.972 476 HZ2 TRP 67 HZ2 TRP 67 17.691 12.936 8.741 477 HZ3 TRP 67 HZ3 TRP 67 20.661 13.736 5.790 478 HH2 TRP 67 HH2 TRP 67 19.942 13.678 8.116 479 H VAL 68 HN VAL 68 15.356 9.152 0.978 480 HA VAL 68 HA VAL 68 16.835 10.098 -1.404 481 HB VAL 68 HB VAL 68 15.221 7.612 -1.504 482 1HG1 VAL 68 HG11 VAL 68 17.122 6.828 -2.836 483 2HG1 VAL 68 HG12 VAL 68 17.949 8.347 -2.524 484 3HG1 VAL 68 HG13 VAL 68 16.445 8.328 -3.441 485 1HG2 VAL 68 HG21 VAL 68 17.010 6.255 -0.482 486 2HG2 VAL 68 HG22 VAL 68 16.270 7.364 0.671 487 3HG2 VAL 68 HG23 VAL 68 17.850 7.736 -0.010 488 H HIS 69 HN HIS 69 15.323 9.719 -3.450 489 HA HIS 69 HA HIS 69 12.690 10.830 -2.834 490 1HB HIS 69 HB2 HIS 69 14.192 10.640 -5.457 491 2HB HIS 69 HB1 HIS 69 12.564 11.280 -5.288 492 HD1 HIS 69 HD1 HIS 69 12.583 13.766 -5.318 493 HD2 HIS 69 HD2 HIS 69 16.015 12.220 -3.532 494 HE1 HIS 69 HE1 HIS 69 13.986 15.762 -4.667 495 HE2 HIS 69 HE2 HIS 69 15.974 14.798 -3.474 496 H TRP 70 HN TRP 70 10.821 9.715 -3.260 497 HA TRP 70 HA TRP 70 10.771 6.992 -3.230 498 1HB TRP 70 HB2 TRP 70 8.665 8.842 -4.381 499 2HB TRP 70 HB1 TRP 70 8.403 7.151 -3.980 500 HD1 TRP 70 HD1 TRP 70 8.617 10.584 -2.456 501 HE1 TRP 70 HE1 TRP 70 7.983 10.457 0.042 502 HE3 TRP 70 HE3 TRP 70 8.473 5.508 -1.896 503 HZ2 TRP 70 HZ2 TRP 70 7.458 8.496 1.958 504 HZ3 TRP 70 HZ3 TRP 70 7.882 4.580 0.314 505 HH2 TRP 70 HH2 TRP 70 7.378 6.062 2.198 506 H HIS 71 HN HIS 71 10.841 9.053 -6.100 507 HA HIS 71 HA HIS 71 9.882 7.062 -7.865 508 1HB HIS 71 HB2 HIS 71 10.366 8.553 -9.650 509 2HB HIS 71 HB1 HIS 71 9.783 9.523 -8.314 510 HD1 HIS 71 HD1 HIS 71 12.976 8.673 -10.163 511 HD2 HIS 71 HD2 HIS 71 11.531 11.478 -7.452 512 HE1 HIS 71 HE1 HIS 71 14.758 10.437 -9.988 513 HE2 HIS 71 HE2 HIS 71 13.941 12.024 -8.223 514 H MET 72 HN MET 72 12.966 7.333 -6.452 515 HA MET 72 HA MET 72 14.190 5.951 -8.735 516 1HB MET 72 HB2 MET 72 16.368 6.686 -7.864 517 2HB MET 72 HB1 MET 72 15.296 8.049 -8.167 518 1HG MET 72 HG2 MET 72 14.727 7.764 -5.631 519 2HG MET 72 HG1 MET 72 16.310 6.981 -5.609 520 1HE MET 72 HE1 MET 72 17.812 8.780 -7.963 521 2HE MET 72 HE2 MET 72 18.531 8.163 -6.491 522 3HE MET 72 HE3 MET 72 18.659 9.881 -6.883 523 H LEU 73 HN LEU 73 12.596 5.023 -6.230 524 HA LEU 73 HA LEU 73 14.501 2.903 -5.450 525 1HB LEU 73 HB2 LEU 73 12.309 4.272 -3.942 526 2HB LEU 73 HB1 LEU 73 12.697 2.614 -3.543 527 HG LEU 73 HG LEU 73 15.079 3.363 -3.173 528 1HD1 LEU 73 HD11 LEU 73 15.377 5.764 -2.714 529 2HD1 LEU 73 HD12 LEU 73 13.749 6.059 -3.338 530 3HD1 LEU 73 HD13 LEU 73 15.008 5.446 -4.414 531 1HD2 LEU 73 HD21 LEU 73 14.611 4.222 -0.959 532 2HD2 LEU 73 HD22 LEU 73 13.520 2.895 -1.356 533 3HD2 LEU 73 HD23 LEU 73 12.953 4.561 -1.428 534 H GLU 74 HN GLU 74 13.946 0.824 -5.774 535 HA GLU 74 HA GLU 74 11.374 0.287 -7.093 536 1HB GLU 74 HB2 GLU 74 13.413 -0.529 -8.197 537 2HB GLU 74 HB1 GLU 74 13.824 -1.460 -6.762 538 1HG GLU 74 HG2 GLU 74 12.834 -2.802 -8.545 539 2HG GLU 74 HG1 GLU 74 11.884 -2.853 -7.056 540 H ILE 75 HN ILE 75 9.818 -0.871 -6.076 541 HA ILE 75 HA ILE 75 10.226 -1.307 -3.238 542 HB ILE 75 HB ILE 75 8.272 -0.002 -3.790 543 1HG1 ILE 75 HG12 ILE 75 7.454 -2.786 -2.909 544 2HG1 ILE 75 HG11 ILE 75 8.091 -1.517 -1.859 545 1HG2 ILE 75 HG21 ILE 75 7.887 -0.794 -6.043 546 2HG2 ILE 75 HG22 ILE 75 6.411 -0.908 -5.092 547 3HG2 ILE 75 HG23 ILE 75 7.356 -2.356 -5.419 548 1HD1 ILE 75 HD11 ILE 75 5.515 -1.389 -3.399 549 2HD1 ILE 75 HD12 ILE 75 6.144 -0.138 -2.320 550 3HD1 ILE 75 HD13 ILE 75 5.675 -1.720 -1.676 551 H LEU 76 HN LEU 76 10.488 -3.241 -2.365 552 HA LEU 76 HA LEU 76 10.135 -5.588 -4.085 553 1HB LEU 76 HB2 LEU 76 11.611 -5.380 -1.450 554 2HB LEU 76 HB1 LEU 76 11.618 -6.720 -2.573 555 HG LEU 76 HG LEU 76 12.786 -4.003 -3.128 556 1HD1 LEU 76 HD11 LEU 76 14.131 -6.631 -2.495 557 2HD1 LEU 76 HD12 LEU 76 14.070 -5.215 -1.445 558 3HD1 LEU 76 HD13 LEU 76 14.947 -5.140 -2.969 559 1HD2 LEU 76 HD21 LEU 76 12.834 -6.563 -4.727 560 2HD2 LEU 76 HD22 LEU 76 13.772 -5.121 -5.108 561 3HD2 LEU 76 HD23 LEU 76 12.013 -5.060 -5.160 562 H GLY 77 HN GLY 77 9.977 -5.004 -0.601 563 1HA GLY 77 HA2 GLY 77 7.551 -5.234 0.291 564 2HA GLY 77 HA1 GLY 77 7.679 -6.833 -0.455 565 H PHE 78 HN PHE 78 7.660 -8.097 1.394 566 HA PHE 78 HA PHE 78 10.095 -7.818 3.018 567 1HB PHE 78 HB2 PHE 78 8.005 -7.004 4.223 568 2HB PHE 78 HB1 PHE 78 7.456 -8.682 4.213 569 HD1 PHE 78 HD1 PHE 78 10.219 -6.478 5.284 570 HD2 PHE 78 HD2 PHE 78 8.212 -10.179 5.877 571 HE1 PHE 78 HE1 PHE 78 11.567 -6.875 7.302 572 HE2 PHE 78 HE2 PHE 78 9.537 -10.582 7.900 573 HZ PHE 78 HZ PHE 78 11.212 -8.936 8.618 574 H GLU 79 HN GLU 79 10.935 -9.392 1.587 575 HA GLU 79 HA GLU 79 11.738 -11.474 1.233 576 1HB GLU 79 HB2 GLU 79 11.553 -11.848 3.644 577 2HB GLU 79 HB1 GLU 79 9.859 -12.294 3.451 578 1HG GLU 79 HG2 GLU 79 10.425 -14.309 2.326 579 2HG GLU 79 HG1 GLU 79 12.109 -13.792 2.128 580 H GLU 80 HN GLU 80 8.267 -11.834 1.915 581 HA GLU 80 HA GLU 80 7.939 -13.353 -0.568 582 1HB GLU 80 HB2 GLU 80 6.918 -14.100 1.651 583 2HB GLU 80 HB1 GLU 80 5.848 -12.723 1.529 584 1HG GLU 80 HG2 GLU 80 4.790 -14.804 0.801 585 2HG GLU 80 HG1 GLU 80 4.853 -13.603 -0.482 Start of MODEL 11 1 H MET 4 HN MET 4 7.480 0.727 -19.834 2 HA MET 4 HA MET 4 9.419 0.765 -17.780 3 1HB MET 4 HB2 MET 4 9.922 1.570 -20.008 4 2HB MET 4 HB1 MET 4 8.656 2.801 -19.892 5 1HG MET 4 HG2 MET 4 9.928 3.894 -18.097 6 2HG MET 4 HG1 MET 4 11.186 2.685 -18.256 7 1HE MET 4 HE1 MET 4 10.129 5.647 -21.636 8 2HE MET 4 HE2 MET 4 9.233 5.529 -20.121 9 3HE MET 4 HE3 MET 4 9.172 4.214 -21.298 10 H ARG 5 HN ARG 5 9.751 2.352 -16.144 11 HA ARG 5 HA ARG 5 7.480 3.037 -14.685 12 1HB ARG 5 HB2 ARG 5 9.640 2.696 -13.634 13 2HB ARG 5 HB1 ARG 5 10.316 4.078 -14.511 14 1HG ARG 5 HG2 ARG 5 8.944 5.599 -13.259 15 2HG ARG 5 HG1 ARG 5 8.105 4.265 -12.469 16 1HD ARG 5 HD2 ARG 5 9.845 5.281 -11.042 17 2HD ARG 5 HD1 ARG 5 10.160 3.583 -11.384 18 HE ARG 5 HE ARG 5 11.583 5.867 -12.579 19 1HH1 ARG 5 HH11 ARG 5 11.368 2.438 -11.863 20 2HH1 ARG 5 HH12 ARG 5 13.014 2.119 -12.330 21 1HH2 ARG 5 HH21 ARG 5 13.738 5.438 -13.210 22 2HH2 ARG 5 HH22 ARG 5 14.365 3.822 -13.075 23 H SER 6 HN SER 6 9.237 4.822 -17.093 24 HA SER 6 HA SER 6 7.965 7.319 -16.500 25 1HB SER 6 HB2 SER 6 9.399 6.535 -19.041 26 2HB SER 6 HB1 SER 6 9.123 8.161 -18.412 27 HG SER 6 HG SER 6 10.341 7.267 -16.489 28 H GLU 7 HN GLU 7 6.677 4.578 -17.715 29 HA GLU 7 HA GLU 7 5.065 5.829 -19.795 30 1HB GLU 7 HB2 GLU 7 5.204 3.029 -18.717 31 2HB GLU 7 HB1 GLU 7 3.977 3.531 -19.881 32 1HG GLU 7 HG2 GLU 7 5.749 4.177 -21.448 33 2HG GLU 7 HG1 GLU 7 6.962 3.594 -20.298 34 H PHE 8 HN PHE 8 4.960 5.606 -16.456 35 HA PHE 8 HA PHE 8 2.164 5.314 -16.042 36 1HB PHE 8 HB2 PHE 8 4.356 6.589 -14.377 37 2HB PHE 8 HB1 PHE 8 2.661 6.595 -13.855 38 HD1 PHE 8 HD1 PHE 8 5.717 4.768 -13.957 39 HD2 PHE 8 HD2 PHE 8 1.511 4.344 -13.621 40 HE1 PHE 8 HE1 PHE 8 6.035 2.529 -12.977 41 HE2 PHE 8 HE2 PHE 8 1.802 2.100 -12.662 42 HZ PHE 8 HZ PHE 8 4.063 1.196 -12.320 43 H ALA 9 HN ALA 9 0.822 7.167 -15.133 44 HA ALA 9 HA ALA 9 0.190 8.914 -17.158 45 1HB ALA 9 HB1 ALA 9 -1.269 8.375 -15.238 46 2HB ALA 9 HB2 ALA 9 -1.180 10.100 -15.586 47 3HB ALA 9 HB3 ALA 9 -0.281 9.432 -14.225 48 H SER 10 HN SER 10 2.195 9.596 -14.337 49 HA SER 10 HA SER 10 3.372 11.846 -15.835 50 1HB SER 10 HB2 SER 10 3.526 13.069 -13.655 51 2HB SER 10 HB1 SER 10 1.855 12.769 -14.140 52 HG SER 10 HG SER 10 1.926 12.139 -12.059 53 H GLY 11 HN GLY 11 3.936 8.893 -14.583 54 1HA GLY 11 HA2 GLY 11 5.967 7.812 -14.130 55 2HA GLY 11 HA1 GLY 11 6.766 9.373 -14.147 56 H ASN 12 HN ASN 12 5.329 10.766 -12.321 57 HA ASN 12 HA ASN 12 6.317 10.035 -9.825 58 1HB ASN 12 HB2 ASN 12 4.055 11.873 -10.581 59 2HB ASN 12 HB1 ASN 12 4.604 11.652 -8.924 60 1HD2 ASN 12 HD21 ASN 12 6.556 12.471 -8.285 61 2HD2 ASN 12 HD22 ASN 12 7.449 13.634 -9.225 62 H THR 13 HN THR 13 3.415 9.039 -11.473 63 HA THR 13 HA THR 13 1.765 8.211 -9.459 64 HB THR 13 HB THR 13 2.170 6.491 -11.872 65 HG1 THR 13 HG1 THR 13 1.052 9.138 -11.845 66 1HG2 THR 13 HG21 THR 13 -0.286 6.566 -11.872 67 2HG2 THR 13 HG22 THR 13 -0.266 7.638 -10.479 68 3HG2 THR 13 HG23 THR 13 0.335 5.984 -10.331 69 H TYR 14 HN TYR 14 4.711 6.694 -10.634 70 HA TYR 14 HA TYR 14 4.432 4.240 -9.299 71 1HB TYR 14 HB2 TYR 14 6.022 4.485 -11.120 72 2HB TYR 14 HB1 TYR 14 6.924 5.706 -10.222 73 HD1 TYR 14 HD1 TYR 14 5.808 2.146 -9.999 74 HD2 TYR 14 HD2 TYR 14 8.726 5.046 -8.934 75 HE1 TYR 14 HE1 TYR 14 7.190 0.365 -9.012 76 HE2 TYR 14 HE2 TYR 14 10.131 3.281 -7.956 77 HH TYR 14 HH TYR 14 9.988 1.085 -7.087 78 H ALA 15 HN ALA 15 6.082 7.248 -8.448 79 HA ALA 15 HA ALA 15 6.977 6.522 -5.915 80 1HB ALA 15 HB1 ALA 15 6.145 9.229 -6.972 81 2HB ALA 15 HB2 ALA 15 7.772 8.529 -7.032 82 3HB ALA 15 HB3 ALA 15 7.044 8.954 -5.480 83 H LEU 16 HN LEU 16 3.846 7.571 -7.038 84 HA LEU 16 HA LEU 16 2.710 8.056 -4.515 85 1HB LEU 16 HB2 LEU 16 1.805 8.961 -6.627 86 2HB LEU 16 HB1 LEU 16 1.372 7.340 -7.111 87 HG LEU 16 HG LEU 16 -0.139 7.223 -5.125 88 1HD1 LEU 16 HD11 LEU 16 0.951 8.931 -3.775 89 2HD1 LEU 16 HD12 LEU 16 -0.747 9.326 -4.036 90 3HD1 LEU 16 HD13 LEU 16 0.504 10.161 -4.949 91 1HD2 LEU 16 HD21 LEU 16 -1.885 8.593 -6.121 92 2HD2 LEU 16 HD22 LEU 16 -0.968 7.738 -7.365 93 3HD2 LEU 16 HD23 LEU 16 -0.679 9.451 -7.078 94 H TYR 17 HN TYR 17 2.971 5.285 -6.618 95 HA TYR 17 HA TYR 17 1.284 3.567 -5.211 96 1HB TYR 17 HB2 TYR 17 1.938 3.025 -7.465 97 2HB TYR 17 HB1 TYR 17 3.653 3.020 -7.017 98 HD1 TYR 17 HD1 TYR 17 4.685 1.000 -6.420 99 HD2 TYR 17 HD2 TYR 17 0.428 1.290 -6.292 100 HE1 TYR 17 HE1 TYR 17 4.538 -1.396 -5.920 101 HE2 TYR 17 HE2 TYR 17 0.293 -1.119 -5.783 102 HH TYR 17 HH TYR 17 3.045 -2.993 -4.948 103 H VAL 18 HN VAL 18 4.824 3.931 -5.111 104 HA VAL 18 HA VAL 18 5.179 2.052 -3.046 105 HB VAL 18 HB VAL 18 7.431 3.006 -2.715 106 1HG1 VAL 18 HG11 VAL 18 7.066 1.380 -4.476 107 2HG1 VAL 18 HG12 VAL 18 8.273 2.569 -4.982 108 3HG1 VAL 18 HG13 VAL 18 6.619 2.678 -5.606 109 1HG2 VAL 18 HG21 VAL 18 6.565 5.066 -4.728 110 2HG2 VAL 18 HG22 VAL 18 8.198 4.877 -4.088 111 3HG2 VAL 18 HG23 VAL 18 6.882 5.367 -3.026 112 H ARG 19 HN ARG 19 4.573 5.543 -2.960 113 HA ARG 19 HA ARG 19 4.820 6.058 -0.265 114 1HB ARG 19 HB2 ARG 19 3.954 7.454 -2.372 115 2HB ARG 19 HB1 ARG 19 2.389 7.101 -1.634 116 1HG ARG 19 HG2 ARG 19 4.696 8.498 -0.279 117 2HG ARG 19 HG1 ARG 19 3.298 9.292 -0.996 118 1HD ARG 19 HD2 ARG 19 3.332 7.447 1.373 119 2HD ARG 19 HD1 ARG 19 2.964 9.169 1.346 120 HE ARG 19 HE ARG 19 1.127 7.994 -0.309 121 1HH1 ARG 19 HH11 ARG 19 2.066 7.760 3.046 122 2HH1 ARG 19 HH12 ARG 19 0.529 7.154 3.568 123 1HH2 ARG 19 HH21 ARG 19 -0.920 7.199 0.368 124 2HH2 ARG 19 HH22 ARG 19 -1.184 6.871 2.047 125 H ASP 20 HN ASP 20 2.142 4.561 -1.991 126 HA ASP 20 HA ASP 20 0.428 4.367 0.306 127 1HB ASP 20 HB2 ASP 20 -0.666 4.587 -1.769 128 2HB ASP 20 HB1 ASP 20 0.304 3.329 -2.511 129 H THR 21 HN THR 21 2.198 1.971 -1.621 130 HA THR 21 HA THR 21 1.147 -0.150 0.073 131 HB THR 21 HB THR 21 2.916 -0.462 -2.373 132 HG1 THR 21 HG1 THR 21 0.345 0.455 -2.159 133 1HG2 THR 21 HG21 THR 21 1.808 -2.638 -2.537 134 2HG2 THR 21 HG22 THR 21 0.901 -2.288 -1.069 135 3HG2 THR 21 HG23 THR 21 2.655 -2.453 -0.993 136 H LEU 22 HN LEU 22 4.227 1.407 -0.567 137 HA LEU 22 HA LEU 22 5.733 -0.708 0.677 138 1HB LEU 22 HB2 LEU 22 6.414 1.048 -1.184 139 2HB LEU 22 HB1 LEU 22 6.880 1.999 0.200 140 HG LEU 22 HG LEU 22 7.922 -0.777 -0.347 141 1HD1 LEU 22 HD11 LEU 22 9.176 1.900 -0.910 142 2HD1 LEU 22 HD12 LEU 22 8.650 0.712 -2.101 143 3HD1 LEU 22 HD13 LEU 22 10.005 0.346 -1.027 144 1HD2 LEU 22 HD21 LEU 22 9.640 -0.158 1.308 145 2HD2 LEU 22 HD22 LEU 22 8.010 -0.176 1.989 146 3HD2 LEU 22 HD23 LEU 22 8.785 1.363 1.598 147 H GLN 23 HN GLN 23 5.195 -0.932 2.780 148 HA GLN 23 HA GLN 23 4.848 1.412 4.451 149 1HB GLN 23 HB2 GLN 23 4.013 -0.163 6.095 150 2HB GLN 23 HB1 GLN 23 3.185 -0.390 4.556 151 1HG GLN 23 HG2 GLN 23 4.515 -2.349 4.108 152 2HG GLN 23 HG1 GLN 23 5.472 -2.057 5.562 153 1HE2 GLN 23 HE21 GLN 23 4.542 -2.357 7.563 154 2HE2 GLN 23 HE22 GLN 23 3.122 -3.338 7.781 155 HA PRO 24 HA PRO 24 8.617 1.174 6.794 156 1HB PRO 24 HB2 PRO 24 6.922 0.882 9.227 157 2HB PRO 24 HB1 PRO 24 8.190 2.067 8.869 158 1HG PRO 24 HG2 PRO 24 5.619 2.776 8.783 159 2HG PRO 24 HG1 PRO 24 6.784 3.398 7.590 160 1HD PRO 24 HD2 PRO 24 4.732 1.226 7.298 161 2HD PRO 24 HD1 PRO 24 5.219 2.474 6.137 162 H GLY 25 HN GLY 25 9.870 -0.545 6.879 163 1HA GLY 25 HA2 GLY 25 10.441 -2.582 8.152 164 2HA GLY 25 HA1 GLY 25 8.742 -3.037 8.019 165 H MET 26 HN MET 26 8.679 -1.979 5.205 166 HA MET 26 HA MET 26 9.474 -4.425 3.942 167 1HB MET 26 HB2 MET 26 8.239 -1.917 2.822 168 2HB MET 26 HB1 MET 26 8.613 -3.343 1.850 169 1HG MET 26 HG2 MET 26 7.126 -4.639 3.409 170 2HG MET 26 HG1 MET 26 6.639 -3.097 4.105 171 1HE MET 26 HE1 MET 26 3.686 -4.486 1.769 172 2HE MET 26 HE2 MET 26 4.220 -4.305 3.442 173 3HE MET 26 HE3 MET 26 4.952 -5.523 2.409 174 H ARG 27 HN ARG 27 11.163 -4.850 2.767 175 HA ARG 27 HA ARG 27 13.412 -3.136 2.686 176 1HB ARG 27 HB2 ARG 27 13.710 -5.542 2.665 177 2HB ARG 27 HB1 ARG 27 12.805 -5.688 1.165 178 1HG ARG 27 HG2 ARG 27 14.536 -4.702 -0.091 179 2HG ARG 27 HG1 ARG 27 15.372 -4.137 1.360 180 1HD ARG 27 HD2 ARG 27 14.891 -7.042 0.776 181 2HD ARG 27 HD1 ARG 27 16.342 -6.192 0.237 182 HE ARG 27 HE ARG 27 16.839 -5.721 2.613 183 1HH1 ARG 27 HH11 ARG 27 14.603 -8.332 1.807 184 2HH1 ARG 27 HH12 ARG 27 14.926 -9.227 3.250 185 1HH2 ARG 27 HH21 ARG 27 17.236 -6.864 4.517 186 2HH2 ARG 27 HH22 ARG 27 16.437 -8.379 4.814 187 H VAL 28 HN VAL 28 14.414 -2.091 0.929 188 HA VAL 28 HA VAL 28 12.645 -1.516 -1.368 189 HB VAL 28 HB VAL 28 13.375 0.794 -1.388 190 1HG1 VAL 28 HG11 VAL 28 12.309 -0.052 1.310 191 2HG1 VAL 28 HG12 VAL 28 11.368 0.282 -0.142 192 3HG1 VAL 28 HG13 VAL 28 12.246 1.582 0.648 193 1HG2 VAL 28 HG21 VAL 28 14.884 0.109 1.141 194 2HG2 VAL 28 HG22 VAL 28 14.699 1.729 0.455 195 3HG2 VAL 28 HG23 VAL 28 15.586 0.492 -0.432 196 H ARG 29 HN ARG 29 13.688 -0.980 -3.309 197 HA ARG 29 HA ARG 29 16.550 -1.665 -3.395 198 1HB ARG 29 HB2 ARG 29 15.071 -3.360 -4.460 199 2HB ARG 29 HB1 ARG 29 14.481 -2.101 -5.553 200 1HG ARG 29 HG2 ARG 29 16.658 -1.905 -6.567 201 2HG ARG 29 HG1 ARG 29 17.345 -3.021 -5.381 202 1HD ARG 29 HD2 ARG 29 15.207 -3.702 -7.399 203 2HD ARG 29 HD1 ARG 29 16.919 -4.143 -7.516 204 HE ARG 29 HE ARG 29 16.494 -5.418 -5.365 205 1HH1 ARG 29 HH11 ARG 29 13.882 -4.790 -7.610 206 2HH1 ARG 29 HH12 ARG 29 12.999 -6.224 -7.150 207 1HH2 ARG 29 HH21 ARG 29 15.353 -7.268 -4.792 208 2HH2 ARG 29 HH22 ARG 29 13.790 -7.586 -5.536 209 H MET 30 HN MET 30 17.850 -0.060 -4.057 210 HA MET 30 HA MET 30 16.748 2.419 -5.023 211 1HB MET 30 HB2 MET 30 18.712 2.290 -3.494 212 2HB MET 30 HB1 MET 30 19.637 1.564 -4.792 213 1HG MET 30 HG2 MET 30 20.182 3.873 -4.640 214 2HG MET 30 HG1 MET 30 19.290 3.599 -6.121 215 1HE MET 30 HE1 MET 30 19.848 6.425 -4.471 216 2HE MET 30 HE2 MET 30 18.339 7.240 -4.811 217 3HE MET 30 HE3 MET 30 19.170 6.340 -6.097 218 H LEU 31 HN LEU 31 16.308 2.863 -7.089 219 HA LEU 31 HA LEU 31 17.422 1.032 -9.126 220 1HB LEU 31 HB2 LEU 31 15.049 2.911 -9.259 221 2HB LEU 31 HB1 LEU 31 15.573 1.811 -10.521 222 HG LEU 31 HG LEU 31 14.567 0.966 -7.809 223 1HD1 LEU 31 HD11 LEU 31 13.278 0.838 -10.534 224 2HD1 LEU 31 HD12 LEU 31 12.822 1.923 -9.221 225 3HD1 LEU 31 HD13 LEU 31 12.607 0.179 -9.038 226 1HD2 LEU 31 HD21 LEU 31 15.297 -0.643 -10.255 227 2HD2 LEU 31 HD22 LEU 31 14.573 -1.283 -8.783 228 3HD2 LEU 31 HD23 LEU 31 16.195 -0.601 -8.740 229 H ASP 32 HN ASP 32 18.715 3.649 -7.986 230 HA ASP 32 HA ASP 32 19.700 4.554 -10.514 231 1HB ASP 32 HB2 ASP 32 17.489 5.783 -10.295 232 2HB ASP 32 HB1 ASP 32 18.107 6.517 -8.814 233 H ASP 33 HN ASP 33 21.558 5.901 -10.286 234 HA ASP 33 HA ASP 33 22.814 5.742 -7.663 235 1HB ASP 33 HB2 ASP 33 24.098 5.081 -9.668 236 2HB ASP 33 HB1 ASP 33 23.928 6.719 -10.315 237 H TYR 34 HN TYR 34 23.028 7.477 -6.310 238 HA TYR 34 HA TYR 34 22.542 10.136 -7.318 239 1HB TYR 34 HB2 TYR 34 20.262 9.161 -7.129 240 2HB TYR 34 HB1 TYR 34 20.549 8.882 -5.410 241 HD1 TYR 34 HD1 TYR 34 20.659 11.649 -7.888 242 HD2 TYR 34 HD2 TYR 34 19.760 10.440 -3.928 243 HE1 TYR 34 HE1 TYR 34 19.801 13.896 -7.413 244 HE2 TYR 34 HE2 TYR 34 18.904 12.681 -3.428 245 HH TYR 34 HH TYR 34 19.323 15.072 -4.377 246 H GLU 35 HN GLU 35 24.382 10.857 -6.409 247 HA GLU 35 HA GLU 35 25.405 12.224 -4.919 248 1HB GLU 35 HB2 GLU 35 23.133 11.601 -3.043 249 2HB GLU 35 HB1 GLU 35 24.298 12.908 -2.861 250 1HG GLU 35 HG2 GLU 35 22.171 12.611 -4.972 251 2HG GLU 35 HG1 GLU 35 22.317 13.873 -3.737 252 H GLU 36 HN GLU 36 24.891 8.947 -4.222 253 HA GLU 36 HA GLU 36 27.243 8.440 -2.949 254 1HB GLU 36 HB2 GLU 36 26.777 8.207 -0.567 255 2HB GLU 36 HB1 GLU 36 26.523 9.872 -1.075 256 1HG GLU 36 HG2 GLU 36 24.162 9.605 -0.998 257 2HG GLU 36 HG1 GLU 36 24.309 7.867 -0.743 258 H ILE 37 HN ILE 37 23.879 7.706 -3.233 259 HA ILE 37 HA ILE 37 24.355 4.870 -2.659 260 HB ILE 37 HB ILE 37 21.723 6.242 -3.290 261 1HG1 ILE 37 HG12 ILE 37 22.714 7.182 -1.233 262 2HG1 ILE 37 HG11 ILE 37 21.308 6.188 -0.858 263 1HG2 ILE 37 HG21 ILE 37 22.300 3.555 -2.030 264 2HG2 ILE 37 HG22 ILE 37 21.736 3.826 -3.678 265 3HG2 ILE 37 HG23 ILE 37 20.699 4.258 -2.303 266 1HD1 ILE 37 HD11 ILE 37 24.180 5.332 -0.586 267 2HD1 ILE 37 HD12 ILE 37 22.757 4.361 -0.182 268 3HD1 ILE 37 HD13 ILE 37 23.109 5.835 0.736 269 H SER 38 HN SER 38 23.736 3.256 -4.308 270 HA SER 38 HA SER 38 23.824 4.394 -7.010 271 1HB SER 38 HB2 SER 38 25.225 2.435 -7.651 272 2HB SER 38 HB1 SER 38 26.022 3.543 -6.522 273 HG SER 38 HG SER 38 24.795 1.786 -4.988 274 H ALA 39 HN ALA 39 23.163 2.771 -8.710 275 HA ALA 39 HA ALA 39 20.616 1.722 -8.034 276 1HB ALA 39 HB1 ALA 39 20.508 0.968 -10.349 277 2HB ALA 39 HB2 ALA 39 22.228 1.309 -10.548 278 3HB ALA 39 HB3 ALA 39 21.105 2.634 -10.251 279 H GLY 40 HN GLY 40 20.090 -0.231 -7.319 280 1HA GLY 40 HA2 GLY 40 20.373 -2.625 -7.334 281 2HA GLY 40 HA1 GLY 40 22.099 -2.369 -7.578 282 H ASP 41 HN ASP 41 21.747 -0.139 -5.442 283 HA ASP 41 HA ASP 41 22.411 -1.653 -3.182 284 1HB ASP 41 HB2 ASP 41 21.698 1.235 -3.599 285 2HB ASP 41 HB1 ASP 41 21.774 0.588 -1.951 286 H GLU 42 HN GLU 42 21.175 -2.551 -1.651 287 HA GLU 42 HA GLU 42 18.289 -1.970 -1.783 288 1HB GLU 42 HB2 GLU 42 19.583 -4.613 -1.053 289 2HB GLU 42 HB1 GLU 42 17.849 -4.271 -0.997 290 1HG GLU 42 HG2 GLU 42 17.921 -3.780 -3.428 291 2HG GLU 42 HG1 GLU 42 19.627 -4.282 -3.427 292 H GLY 43 HN GLY 43 17.089 -2.007 0.166 293 1HA GLY 43 HA2 GLY 43 18.569 -1.783 2.638 294 2HA GLY 43 HA1 GLY 43 17.981 -0.250 1.979 295 H GLU 44 HN GLU 44 16.844 -0.356 4.147 296 HA GLU 44 HA GLU 44 14.287 -1.756 3.754 297 1HB GLU 44 HB2 GLU 44 15.748 -2.811 5.527 298 2HB GLU 44 HB1 GLU 44 15.585 -1.307 6.446 299 1HG GLU 44 HG2 GLU 44 13.115 -1.628 6.436 300 2HG GLU 44 HG1 GLU 44 13.354 -3.177 5.623 301 H PHE 45 HN PHE 45 12.444 -0.702 4.531 302 HA PHE 45 HA PHE 45 12.712 2.215 4.431 303 1HB PHE 45 HB2 PHE 45 11.176 0.850 2.918 304 2HB PHE 45 HB1 PHE 45 10.219 0.513 4.339 305 HD1 PHE 45 HD1 PHE 45 11.083 2.918 1.813 306 HD2 PHE 45 HD2 PHE 45 8.974 2.318 5.454 307 HE1 PHE 45 HE1 PHE 45 9.782 4.965 1.409 308 HE2 PHE 45 HE2 PHE 45 7.674 4.355 5.060 309 HZ PHE 45 HZ PHE 45 8.087 5.680 3.030 310 H ARG 46 HN ARG 46 12.555 3.349 6.353 311 HA ARG 46 HA ARG 46 11.465 1.840 8.628 312 1HB ARG 46 HB2 ARG 46 13.243 4.250 8.794 313 2HB ARG 46 HB1 ARG 46 12.868 3.107 10.069 314 1HG ARG 46 HG2 ARG 46 14.031 1.354 8.648 315 2HG ARG 46 HG1 ARG 46 14.622 2.708 7.673 316 1HD ARG 46 HD2 ARG 46 15.130 2.115 10.566 317 2HD ARG 46 HD1 ARG 46 16.301 2.286 9.253 318 HE ARG 46 HE ARG 46 14.756 4.660 9.744 319 1HH1 ARG 46 HH11 ARG 46 17.622 2.869 10.652 320 2HH1 ARG 46 HH12 ARG 46 18.444 4.263 11.303 321 1HH2 ARG 46 HH21 ARG 46 15.801 6.488 10.625 322 2HH2 ARG 46 HH22 ARG 46 17.400 6.334 11.294 323 H GLN 47 HN GLN 47 11.478 5.100 7.200 324 HA GLN 47 HA GLN 47 8.876 5.612 8.299 325 1HB GLN 47 HB2 GLN 47 9.480 7.535 9.633 326 2HB GLN 47 HB1 GLN 47 10.348 6.124 10.212 327 1HG GLN 47 HG2 GLN 47 11.898 7.500 8.233 328 2HG GLN 47 HG1 GLN 47 11.401 8.613 9.512 329 1HE2 GLN 47 HE21 GLN 47 12.043 8.258 11.595 330 2HE2 GLN 47 HE22 GLN 47 13.382 7.225 12.011 331 H SER 48 HN SER 48 7.953 7.629 7.590 332 HA SER 48 HA SER 48 9.450 8.947 5.396 333 1HB SER 48 HB2 SER 48 6.460 8.603 5.417 334 2HB SER 48 HB1 SER 48 7.513 9.038 4.066 335 HG SER 48 HG SER 48 8.451 6.801 4.674 336 H ASN 49 HN ASN 49 9.007 11.209 5.144 337 HA ASN 49 HA ASN 49 7.966 12.458 7.547 338 1HB ASN 49 HB2 ASN 49 9.370 13.563 5.120 339 2HB ASN 49 HB1 ASN 49 8.675 14.591 6.350 340 1HD2 ASN 49 HD21 ASN 49 10.130 11.533 7.170 341 2HD2 ASN 49 HD22 ASN 49 11.548 12.184 7.929 342 H ASN 50 HN ASN 50 5.813 12.572 7.633 343 HA ASN 50 HA ASN 50 3.648 12.428 6.937 344 1HB ASN 50 HB2 ASN 50 2.800 14.676 6.259 345 2HB ASN 50 HB1 ASN 50 3.843 14.671 7.676 346 1HD2 ASN 50 HD21 ASN 50 5.859 15.688 7.556 347 2HD2 ASN 50 HD22 ASN 50 6.257 16.768 6.257 348 H GLY 51 HN GLY 51 4.208 14.489 4.148 349 1HA GLY 51 HA2 GLY 51 3.839 12.209 2.346 350 2HA GLY 51 HA1 GLY 51 2.629 13.491 2.286 351 H VAL 52 HN VAL 52 6.124 13.647 2.757 352 HA VAL 52 HA VAL 52 6.277 15.343 0.350 353 HB VAL 52 HB VAL 52 8.149 16.571 1.442 354 1HG1 VAL 52 HG11 VAL 52 6.710 17.928 2.888 355 2HG1 VAL 52 HG12 VAL 52 5.503 16.650 2.898 356 3HG1 VAL 52 HG13 VAL 52 5.882 17.487 1.391 357 1HG2 VAL 52 HG21 VAL 52 8.435 16.449 3.844 358 2HG2 VAL 52 HG22 VAL 52 8.750 14.871 3.105 359 3HG2 VAL 52 HG23 VAL 52 7.228 15.165 3.949 360 HA PRO 53 HA PRO 53 9.469 12.980 -1.492 361 1HB PRO 53 HB2 PRO 53 11.459 15.123 -1.133 362 2HB PRO 53 HB1 PRO 53 10.958 14.281 -2.605 363 1HG PRO 53 HG2 PRO 53 10.170 16.799 -2.026 364 2HG PRO 53 HG1 PRO 53 9.151 15.665 -2.923 365 1HD PRO 53 HD2 PRO 53 8.923 16.619 -0.143 366 2HD PRO 53 HD1 PRO 53 7.649 16.052 -1.243 367 HA PRO 54 HA PRO 54 13.207 13.041 1.658 368 1HB PRO 54 HB2 PRO 54 12.485 14.084 4.149 369 2HB PRO 54 HB1 PRO 54 13.520 14.872 2.950 370 1HG PRO 54 HG2 PRO 54 10.614 15.264 3.511 371 2HG PRO 54 HG1 PRO 54 11.859 16.452 3.044 372 1HD PRO 54 HD2 PRO 54 10.051 15.527 1.292 373 2HD PRO 54 HD1 PRO 54 11.708 15.903 0.792 374 H VAL 55 HN VAL 55 13.174 10.977 2.013 375 HA VAL 55 HA VAL 55 11.394 9.887 4.079 376 HB VAL 55 HB VAL 55 10.552 9.180 1.861 377 1HG1 VAL 55 HG11 VAL 55 12.583 9.223 0.562 378 2HG1 VAL 55 HG12 VAL 55 11.858 7.609 0.496 379 3HG1 VAL 55 HG13 VAL 55 13.247 7.911 1.541 380 1HG2 VAL 55 HG21 VAL 55 11.793 6.995 3.514 381 2HG2 VAL 55 HG22 VAL 55 10.524 6.746 2.305 382 3HG2 VAL 55 HG23 VAL 55 10.205 7.724 3.731 383 H GLN 56 HN GLN 56 12.345 8.405 5.470 384 HA GLN 56 HA GLN 56 15.278 8.445 5.338 385 1HB GLN 56 HB2 GLN 56 14.073 9.269 7.397 386 2HB GLN 56 HB1 GLN 56 13.534 7.612 7.661 387 1HG GLN 56 HG2 GLN 56 15.411 7.911 9.053 388 2HG GLN 56 HG1 GLN 56 15.972 6.953 7.672 389 1HE2 GLN 56 HE21 GLN 56 17.316 7.911 6.139 390 2HE2 GLN 56 HE22 GLN 56 18.174 9.387 6.469 391 H VAL 57 HN VAL 57 16.130 6.747 4.358 392 HA VAL 57 HA VAL 57 14.950 4.112 4.850 393 HB VAL 57 HB VAL 57 16.353 5.103 2.369 394 1HG1 VAL 57 HG11 VAL 57 15.222 2.366 2.928 395 2HG1 VAL 57 HG12 VAL 57 16.933 2.779 2.870 396 3HG1 VAL 57 HG13 VAL 57 15.938 2.905 1.409 397 1HG2 VAL 57 HG21 VAL 57 14.201 4.669 1.265 398 2HG2 VAL 57 HG22 VAL 57 14.075 5.886 2.526 399 3HG2 VAL 57 HG23 VAL 57 13.497 4.242 2.820 400 H PHE 58 HN PHE 58 16.292 2.551 5.610 401 HA PHE 58 HA PHE 58 19.089 3.288 6.028 402 1HB PHE 58 HB2 PHE 58 17.871 2.406 7.961 403 2HB PHE 58 HB1 PHE 58 17.487 0.936 7.079 404 HD1 PHE 58 HD1 PHE 58 18.948 -0.889 7.164 405 HD2 PHE 58 HD2 PHE 58 20.314 2.942 8.381 406 HE1 PHE 58 HE1 PHE 58 21.044 -1.887 7.974 407 HE2 PHE 58 HE2 PHE 58 22.412 1.953 9.186 408 HZ PHE 58 HZ PHE 58 22.781 -0.471 8.984 409 H TRP 59 HN TRP 59 20.514 2.694 4.578 410 HA TRP 59 HA TRP 59 19.784 0.649 2.639 411 1HB TRP 59 HB2 TRP 59 22.094 2.580 2.781 412 2HB TRP 59 HB1 TRP 59 21.889 1.387 1.501 413 HD1 TRP 59 HD1 TRP 59 21.026 4.880 2.333 414 HE1 TRP 59 HE1 TRP 59 19.243 5.779 0.695 415 HE3 TRP 59 HE3 TRP 59 19.570 0.486 0.138 416 HZ2 TRP 59 HZ2 TRP 59 17.465 4.789 -1.215 417 HZ3 TRP 59 HZ3 TRP 59 17.804 0.562 -1.583 418 HH2 TRP 59 HH2 TRP 59 16.770 2.658 -2.225 419 H GLU 60 HN GLU 60 20.278 -1.395 2.999 420 HA GLU 60 HA GLU 60 21.801 -2.147 5.247 421 1HB GLU 60 HB2 GLU 60 20.747 -3.888 2.999 422 2HB GLU 60 HB1 GLU 60 21.312 -4.456 4.569 423 1HG GLU 60 HG2 GLU 60 19.498 -3.389 5.679 424 2HG GLU 60 HG1 GLU 60 18.993 -2.593 4.203 425 H SER 61 HN SER 61 22.351 -2.161 1.795 426 HA SER 61 HA SER 61 24.710 -3.667 1.770 427 1HB SER 61 HB2 SER 61 25.009 -2.531 -0.527 428 2HB SER 61 HB1 SER 61 23.553 -3.492 -0.286 429 HG SER 61 HG SER 61 23.698 -0.948 -0.965 430 H THR 62 HN THR 62 24.137 -0.235 2.153 431 HA THR 62 HA THR 62 26.984 0.353 2.105 432 HB THR 62 HB THR 62 24.899 2.365 2.893 433 HG1 THR 62 HG1 THR 62 25.303 2.179 0.159 434 1HG2 THR 62 HG21 THR 62 27.370 2.462 1.153 435 2HG2 THR 62 HG22 THR 62 27.247 3.052 2.825 436 3HG2 THR 62 HG23 THR 62 26.343 3.849 1.524 437 H GLY 63 HN GLY 63 24.253 0.768 4.339 438 1HA GLY 63 HA2 GLY 63 24.411 -0.037 6.615 439 2HA GLY 63 HA1 GLY 63 26.119 0.370 6.589 440 H ARG 64 HN ARG 64 24.041 2.626 5.087 441 HA ARG 64 HA ARG 64 24.047 4.323 7.495 442 1HB ARG 64 HB2 ARG 64 24.693 5.266 4.694 443 2HB ARG 64 HB1 ARG 64 24.636 6.268 6.131 444 1HG ARG 64 HG2 ARG 64 26.533 4.987 7.047 445 2HG ARG 64 HG1 ARG 64 26.625 4.098 5.522 446 1HD ARG 64 HD2 ARG 64 27.095 7.017 6.011 447 2HD ARG 64 HD1 ARG 64 28.231 5.826 5.397 448 HE ARG 64 HE ARG 64 25.970 6.969 3.897 449 1HH1 ARG 64 HH11 ARG 64 29.027 5.245 3.978 450 2HH1 ARG 64 HH12 ARG 64 29.211 5.245 2.253 451 1HH2 ARG 64 HH21 ARG 64 26.193 6.977 1.636 452 2HH2 ARG 64 HH22 ARG 64 27.590 6.209 0.900 453 H THR 65 HN THR 65 22.348 5.854 7.606 454 HA THR 65 HA THR 65 20.038 5.305 5.956 455 HB THR 65 HB THR 65 19.075 7.255 7.354 456 HG1 THR 65 HG1 THR 65 20.643 8.235 8.440 457 1HG2 THR 65 HG21 THR 65 20.006 4.749 8.749 458 2HG2 THR 65 HG22 THR 65 18.556 4.893 7.752 459 3HG2 THR 65 HG23 THR 65 18.688 5.789 9.270 460 H TYR 66 HN TYR 66 19.039 6.774 4.589 461 HA TYR 66 HA TYR 66 20.296 9.325 4.011 462 1HB TYR 66 HB2 TYR 66 21.534 7.711 2.590 463 2HB TYR 66 HB1 TYR 66 20.008 7.130 1.921 464 HD1 TYR 66 HD1 TYR 66 21.927 10.305 2.334 465 HD2 TYR 66 HD2 TYR 66 19.349 7.998 -0.118 466 HE1 TYR 66 HE1 TYR 66 22.115 11.993 0.567 467 HE2 TYR 66 HE2 TYR 66 19.523 9.678 -1.905 468 HH TYR 66 HH TYR 66 20.040 12.159 -2.037 469 H TRP 67 HN TRP 67 18.842 10.768 3.058 470 HA TRP 67 HA TRP 67 16.057 9.907 2.974 471 1HB TRP 67 HB2 TRP 67 17.345 12.630 2.709 472 2HB TRP 67 HB1 TRP 67 15.632 12.341 2.467 473 HD1 TRP 67 HD1 TRP 67 14.514 10.961 4.809 474 HE1 TRP 67 HE1 TRP 67 14.784 11.771 7.240 475 HE3 TRP 67 HE3 TRP 67 18.632 13.935 4.230 476 HZ2 TRP 67 HZ2 TRP 67 16.494 13.453 8.709 477 HZ3 TRP 67 HZ3 TRP 67 19.525 15.110 6.206 478 HH2 TRP 67 HH2 TRP 67 18.483 14.882 8.394 479 H VAL 68 HN VAL 68 15.280 9.088 1.091 480 HA VAL 68 HA VAL 68 16.642 9.894 -1.379 481 HB VAL 68 HB VAL 68 14.947 7.466 -1.342 482 1HG1 VAL 68 HG11 VAL 68 16.149 8.086 -3.363 483 2HG1 VAL 68 HG12 VAL 68 16.815 6.588 -2.731 484 3HG1 VAL 68 HG13 VAL 68 17.683 8.120 -2.485 485 1HG2 VAL 68 HG21 VAL 68 16.654 6.065 -0.298 486 2HG2 VAL 68 HG22 VAL 68 16.075 7.291 0.819 487 3HG2 VAL 68 HG23 VAL 68 17.634 7.487 0.033 488 H HIS 69 HN HIS 69 15.062 9.507 -3.367 489 HA HIS 69 HA HIS 69 12.483 10.733 -2.707 490 1HB HIS 69 HB2 HIS 69 13.947 10.488 -5.347 491 2HB HIS 69 HB1 HIS 69 12.364 11.239 -5.152 492 HD1 HIS 69 HD1 HIS 69 15.079 12.705 -6.084 493 HD2 HIS 69 HD2 HIS 69 13.294 12.856 -2.329 494 HE1 HIS 69 HE1 HIS 69 15.929 14.811 -5.025 495 HE2 HIS 69 HE2 HIS 69 14.667 15.001 -2.845 496 H TRP 70 HN TRP 70 10.583 9.748 -3.140 497 HA TRP 70 HA TRP 70 10.369 7.048 -2.945 498 1HB TRP 70 HB2 TRP 70 8.358 8.912 -4.214 499 2HB TRP 70 HB1 TRP 70 8.009 7.314 -3.553 500 HD1 TRP 70 HD1 TRP 70 8.979 10.875 -2.463 501 HE1 TRP 70 HE1 TRP 70 8.298 11.172 0.008 502 HE3 TRP 70 HE3 TRP 70 7.530 6.088 -1.425 503 HZ2 TRP 70 HZ2 TRP 70 7.292 9.624 2.088 504 HZ3 TRP 70 HZ3 TRP 70 6.726 5.574 0.839 505 HH2 TRP 70 HH2 TRP 70 6.607 7.301 2.556 506 H HIS 71 HN HIS 71 10.293 8.883 -5.991 507 HA HIS 71 HA HIS 71 9.334 6.764 -7.583 508 1HB HIS 71 HB2 HIS 71 9.846 8.125 -9.482 509 2HB HIS 71 HB1 HIS 71 9.207 9.167 -8.207 510 HD1 HIS 71 HD1 HIS 71 10.579 11.188 -7.635 511 HD2 HIS 71 HD2 HIS 71 12.780 8.346 -9.732 512 HE1 HIS 71 HE1 HIS 71 12.814 12.253 -8.101 513 HE2 HIS 71 HE2 HIS 71 14.074 10.586 -9.518 514 H MET 72 HN MET 72 12.407 7.027 -6.196 515 HA MET 72 HA MET 72 13.583 5.496 -8.435 516 1HB MET 72 HB2 MET 72 15.747 6.248 -7.731 517 2HB MET 72 HB1 MET 72 14.687 7.651 -7.834 518 1HG MET 72 HG2 MET 72 14.394 6.919 -5.224 519 2HG MET 72 HG1 MET 72 16.082 6.510 -5.535 520 1HE MET 72 HE1 MET 72 17.845 8.310 -6.533 521 2HE MET 72 HE2 MET 72 17.434 10.007 -6.814 522 3HE MET 72 HE3 MET 72 16.717 8.747 -7.827 523 H LEU 73 HN LEU 73 12.008 4.794 -5.791 524 HA LEU 73 HA LEU 73 13.833 2.670 -4.908 525 1HB LEU 73 HB2 LEU 73 11.610 4.128 -3.537 526 2HB LEU 73 HB1 LEU 73 11.993 2.492 -3.056 527 HG LEU 73 HG LEU 73 14.339 3.240 -2.559 528 1HD1 LEU 73 HD11 LEU 73 13.127 5.971 -3.017 529 2HD1 LEU 73 HD12 LEU 73 14.421 5.226 -3.968 530 3HD1 LEU 73 HD13 LEU 73 14.700 5.654 -2.277 531 1HD2 LEU 73 HD21 LEU 73 13.760 4.324 -0.467 532 2HD2 LEU 73 HD22 LEU 73 12.629 3.016 -0.823 533 3HD2 LEU 73 HD23 LEU 73 12.152 4.678 -1.083 534 H GLU 74 HN GLU 74 13.307 0.581 -5.223 535 HA GLU 74 HA GLU 74 10.647 0.024 -6.341 536 1HB GLU 74 HB2 GLU 74 12.507 -0.733 -7.696 537 2HB GLU 74 HB1 GLU 74 13.207 -1.612 -6.341 538 1HG GLU 74 HG2 GLU 74 11.502 -3.223 -6.376 539 2HG GLU 74 HG1 GLU 74 10.479 -2.233 -7.421 540 H ILE 75 HN ILE 75 9.326 -1.488 -5.355 541 HA ILE 75 HA ILE 75 9.829 -1.766 -2.512 542 HB ILE 75 HB ILE 75 7.715 -0.811 -3.035 543 1HG1 ILE 75 HG12 ILE 75 7.325 -3.692 -2.217 544 2HG1 ILE 75 HG11 ILE 75 7.723 -2.345 -1.145 545 1HG2 ILE 75 HG21 ILE 75 7.188 -3.241 -4.758 546 2HG2 ILE 75 HG22 ILE 75 7.478 -1.604 -5.331 547 3HG2 ILE 75 HG23 ILE 75 6.018 -1.971 -4.408 548 1HD1 ILE 75 HD11 ILE 75 5.560 -1.305 -1.676 549 2HD1 ILE 75 HD12 ILE 75 5.372 -2.923 -1.000 550 3HD1 ILE 75 HD13 ILE 75 5.172 -2.659 -2.728 551 H LEU 76 HN LEU 76 10.308 -3.602 -1.508 552 HA LEU 76 HA LEU 76 10.075 -6.118 -3.010 553 1HB LEU 76 HB2 LEU 76 11.940 -5.252 -0.810 554 2HB LEU 76 HB1 LEU 76 11.700 -6.948 -1.209 555 HG LEU 76 HG LEU 76 12.393 -6.408 -3.579 556 1HD1 LEU 76 HD11 LEU 76 12.084 -4.003 -3.516 557 2HD1 LEU 76 HD12 LEU 76 13.744 -4.401 -3.907 558 3HD1 LEU 76 HD13 LEU 76 13.329 -3.847 -2.299 559 1HD2 LEU 76 HD21 LEU 76 14.405 -5.984 -1.357 560 2HD2 LEU 76 HD22 LEU 76 14.781 -6.428 -3.020 561 3HD2 LEU 76 HD23 LEU 76 13.864 -7.534 -2.001 562 H GLY 77 HN GLY 77 7.803 -5.108 -1.883 563 1HA GLY 77 HA2 GLY 77 7.392 -6.208 0.769 564 2HA GLY 77 HA1 GLY 77 6.199 -5.364 -0.210 565 H PHE 78 HN PHE 78 8.127 -8.308 -0.267 566 HA PHE 78 HA PHE 78 7.724 -10.405 -0.968 567 1HB PHE 78 HB2 PHE 78 5.774 -11.499 0.110 568 2HB PHE 78 HB1 PHE 78 6.778 -10.577 1.220 569 HD1 PHE 78 HD1 PHE 78 3.551 -10.718 -0.484 570 HD2 PHE 78 HD2 PHE 78 5.918 -8.694 2.408 571 HE1 PHE 78 HE1 PHE 78 1.546 -9.561 0.323 572 HE2 PHE 78 HE2 PHE 78 3.903 -7.530 3.244 573 HZ PHE 78 HZ PHE 78 1.725 -7.968 2.194 574 H GLU 79 HN GLU 79 6.905 -8.464 -2.933 575 HA GLU 79 HA GLU 79 4.669 -9.862 -4.232 576 1HB GLU 79 HB2 GLU 79 4.941 -7.296 -4.174 577 2HB GLU 79 HB1 GLU 79 6.198 -7.529 -5.391 578 1HG GLU 79 HG2 GLU 79 4.078 -6.986 -6.423 579 2HG GLU 79 HG1 GLU 79 4.564 -8.633 -6.852 580 H GLU 80 HN GLU 80 8.090 -9.158 -4.590 581 HA GLU 80 HA GLU 80 8.349 -10.792 -6.965 582 1HB GLU 80 HB2 GLU 80 10.497 -9.665 -5.142 583 2HB GLU 80 HB1 GLU 80 10.766 -10.417 -6.712 584 1HG GLU 80 HG2 GLU 80 9.491 -8.616 -7.775 585 2HG GLU 80 HG1 GLU 80 9.261 -7.861 -6.219 Start of MODEL 12 1 H MET 4 HN MET 4 5.287 4.598 -20.668 2 HA MET 4 HA MET 4 8.068 5.232 -20.152 3 1HB MET 4 HB2 MET 4 7.129 6.927 -21.850 4 2HB MET 4 HB1 MET 4 6.120 7.513 -20.531 5 1HG MET 4 HG2 MET 4 8.095 8.082 -19.269 6 2HG MET 4 HG1 MET 4 9.134 7.443 -20.541 7 1HE MET 4 HE1 MET 4 9.088 8.432 -23.025 8 2HE MET 4 HE2 MET 4 8.235 9.900 -23.478 9 3HE MET 4 HE3 MET 4 7.324 8.441 -23.092 10 H ARG 5 HN ARG 5 8.242 6.550 -18.098 11 HA ARG 5 HA ARG 5 6.684 5.537 -16.005 12 1HB ARG 5 HB2 ARG 5 8.976 6.773 -16.008 13 2HB ARG 5 HB1 ARG 5 8.009 8.230 -15.847 14 1HG ARG 5 HG2 ARG 5 8.739 7.573 -13.673 15 2HG ARG 5 HG1 ARG 5 6.999 7.248 -13.796 16 1HD ARG 5 HD2 ARG 5 8.384 5.419 -12.718 17 2HD ARG 5 HD1 ARG 5 7.382 4.901 -14.086 18 HE ARG 5 HE ARG 5 9.474 5.106 -15.449 19 1HH1 ARG 5 HH11 ARG 5 9.591 4.485 -11.983 20 2HH1 ARG 5 HH12 ARG 5 11.099 3.641 -12.046 21 1HH2 ARG 5 HH21 ARG 5 11.462 4.029 -15.534 22 2HH2 ARG 5 HH22 ARG 5 12.169 3.369 -14.083 23 H SER 6 HN SER 6 6.202 8.218 -18.140 24 HA SER 6 HA SER 6 4.252 9.600 -16.610 25 1HB SER 6 HB2 SER 6 4.852 9.771 -19.563 26 2HB SER 6 HB1 SER 6 4.000 10.991 -18.584 27 HG SER 6 HG SER 6 6.133 11.613 -18.779 28 H GLU 7 HN GLU 7 3.940 6.641 -17.802 29 HA GLU 7 HA GLU 7 1.410 6.793 -19.097 30 1HB GLU 7 HB2 GLU 7 3.099 4.607 -17.968 31 2HB GLU 7 HB1 GLU 7 1.387 4.271 -18.215 32 1HG GLU 7 HG2 GLU 7 3.342 5.227 -20.309 33 2HG GLU 7 HG1 GLU 7 2.715 3.581 -20.126 34 H PHE 8 HN PHE 8 2.495 6.905 -15.824 35 HA PHE 8 HA PHE 8 -0.024 6.341 -14.620 36 1HB PHE 8 HB2 PHE 8 2.463 7.761 -13.664 37 2HB PHE 8 HB1 PHE 8 1.019 7.620 -12.662 38 HD1 PHE 8 HD1 PHE 8 3.687 5.731 -14.343 39 HD2 PHE 8 HD2 PHE 8 0.487 5.586 -11.558 40 HE1 PHE 8 HE1 PHE 8 4.408 3.497 -13.633 41 HE2 PHE 8 HE2 PHE 8 1.232 3.372 -10.823 42 HZ PHE 8 HZ PHE 8 3.177 2.317 -11.865 43 H ALA 9 HN ALA 9 -1.258 8.025 -13.403 44 HA ALA 9 HA ALA 9 -2.397 9.814 -15.162 45 1HB ALA 9 HB1 ALA 9 -3.469 9.025 -13.105 46 2HB ALA 9 HB2 ALA 9 -3.557 10.786 -13.262 47 3HB ALA 9 HB3 ALA 9 -2.390 10.050 -12.177 48 H SER 10 HN SER 10 0.001 10.587 -12.665 49 HA SER 10 HA SER 10 0.565 13.069 -14.145 50 1HB SER 10 HB2 SER 10 1.096 14.092 -11.923 51 2HB SER 10 HB1 SER 10 -0.609 13.673 -12.135 52 HG SER 10 HG SER 10 0.597 13.028 -10.094 53 H GLY 11 HN GLY 11 1.787 10.177 -13.628 54 1HA GLY 11 HA2 GLY 11 3.942 9.356 -13.740 55 2HA GLY 11 HA1 GLY 11 4.543 11.011 -13.697 56 H ASN 12 HN ASN 12 3.627 12.011 -11.395 57 HA ASN 12 HA ASN 12 5.202 10.838 -9.355 58 1HB ASN 12 HB2 ASN 12 4.561 13.242 -9.429 59 2HB ASN 12 HB1 ASN 12 2.921 12.769 -9.001 60 1HD2 ASN 12 HD21 ASN 12 2.451 12.191 -6.889 61 2HD2 ASN 12 HD22 ASN 12 3.583 12.391 -5.591 62 H THR 13 HN THR 13 1.947 10.298 -10.406 63 HA THR 13 HA THR 13 0.778 9.023 -8.289 64 HB THR 13 HB THR 13 0.643 7.729 -10.983 65 HG1 THR 13 HG1 THR 13 -0.608 10.237 -10.368 66 1HG2 THR 13 HG21 THR 13 -1.469 8.573 -8.986 67 2HG2 THR 13 HG22 THR 13 -0.788 6.953 -9.127 68 3HG2 THR 13 HG23 THR 13 -1.745 7.634 -10.442 69 H TYR 14 HN TYR 14 3.440 7.951 -10.285 70 HA TYR 14 HA TYR 14 3.588 5.292 -9.405 71 1HB TYR 14 HB2 TYR 14 4.814 6.076 -11.372 72 2HB TYR 14 HB1 TYR 14 5.810 7.103 -10.364 73 HD1 TYR 14 HD1 TYR 14 7.544 6.154 -8.979 74 HD2 TYR 14 HD2 TYR 14 5.165 3.653 -11.451 75 HE1 TYR 14 HE1 TYR 14 9.177 4.351 -8.694 76 HE2 TYR 14 HE2 TYR 14 6.788 1.825 -11.181 77 HH TYR 14 HH TYR 14 9.111 1.774 -8.793 78 H ALA 15 HN ALA 15 5.298 8.209 -8.331 79 HA ALA 15 HA ALA 15 6.537 7.219 -6.093 80 1HB ALA 15 HB1 ALA 15 5.370 9.954 -6.636 81 2HB ALA 15 HB2 ALA 15 7.035 9.418 -6.900 82 3HB ALA 15 HB3 ALA 15 6.415 9.587 -5.263 83 H LEU 16 HN LEU 16 3.206 8.108 -6.573 84 HA LEU 16 HA LEU 16 2.472 8.008 -3.823 85 1HB LEU 16 HB2 LEU 16 1.144 9.269 -5.449 86 2HB LEU 16 HB1 LEU 16 0.805 7.786 -6.333 87 HG LEU 16 HG LEU 16 -0.425 6.940 -4.331 88 1HD1 LEU 16 HD11 LEU 16 -1.066 8.568 -2.589 89 2HD1 LEU 16 HD12 LEU 16 0.034 9.743 -3.321 90 3HD1 LEU 16 HD13 LEU 16 0.673 8.257 -2.625 91 1HD2 LEU 16 HD21 LEU 16 -2.390 8.342 -4.672 92 2HD2 LEU 16 HD22 LEU 16 -1.591 7.999 -6.200 93 3HD2 LEU 16 HD23 LEU 16 -1.393 9.568 -5.453 94 H TYR 17 HN TYR 17 2.371 5.762 -6.530 95 HA TYR 17 HA TYR 17 1.009 3.676 -5.310 96 1HB TYR 17 HB2 TYR 17 1.336 3.788 -7.716 97 2HB TYR 17 HB1 TYR 17 3.071 3.589 -7.515 98 HD1 TYR 17 HD1 TYR 17 -0.152 1.836 -6.808 99 HD2 TYR 17 HD2 TYR 17 3.991 1.478 -7.689 100 HE1 TYR 17 HE1 TYR 17 -0.428 -0.600 -7.039 101 HE2 TYR 17 HE2 TYR 17 3.729 -0.960 -7.933 102 HH TYR 17 HH TYR 17 2.273 -2.745 -7.293 103 H VAL 18 HN VAL 18 4.498 4.200 -5.665 104 HA VAL 18 HA VAL 18 5.317 1.941 -4.189 105 HB VAL 18 HB VAL 18 6.974 2.954 -5.551 106 1HG1 VAL 18 HG11 VAL 18 6.140 5.207 -5.659 107 2HG1 VAL 18 HG12 VAL 18 7.823 5.230 -5.134 108 3HG1 VAL 18 HG13 VAL 18 6.537 5.474 -3.967 109 1HG2 VAL 18 HG21 VAL 18 8.827 3.279 -4.031 110 2HG2 VAL 18 HG22 VAL 18 7.782 2.001 -3.415 111 3HG2 VAL 18 HG23 VAL 18 7.721 3.603 -2.706 112 H ARG 19 HN ARG 19 4.668 5.246 -3.115 113 HA ARG 19 HA ARG 19 5.375 4.800 -0.433 114 1HB ARG 19 HB2 ARG 19 5.080 7.034 -1.574 115 2HB ARG 19 HB1 ARG 19 3.341 6.806 -1.428 116 1HG ARG 19 HG2 ARG 19 5.180 6.792 0.942 117 2HG ARG 19 HG1 ARG 19 4.464 8.269 0.299 118 1HD ARG 19 HD2 ARG 19 2.277 7.482 0.768 119 2HD ARG 19 HD1 ARG 19 2.849 5.870 1.165 120 HE ARG 19 HE ARG 19 3.142 8.265 2.826 121 1HH1 ARG 19 HH11 ARG 19 3.390 4.794 2.426 122 2HH1 ARG 19 HH12 ARG 19 3.617 4.501 4.130 123 1HH2 ARG 19 HH21 ARG 19 3.374 7.870 5.064 124 2HH2 ARG 19 HH22 ARG 19 3.578 6.239 5.621 125 H ASP 20 HN ASP 20 2.396 4.350 -2.227 126 HA ASP 20 HA ASP 20 0.740 3.899 0.028 127 1HB ASP 20 HB2 ASP 20 -0.147 4.581 -2.185 128 2HB ASP 20 HB1 ASP 20 0.343 3.003 -2.843 129 H THR 21 HN THR 21 2.867 1.874 -1.814 130 HA THR 21 HA THR 21 1.639 -0.562 -0.817 131 HB THR 21 HB THR 21 4.096 -0.266 -2.551 132 HG1 THR 21 HG1 THR 21 2.251 0.602 -3.598 133 1HG2 THR 21 HG21 THR 21 3.687 -2.587 -3.151 134 2HG2 THR 21 HG22 THR 21 2.252 -2.622 -2.117 135 3HG2 THR 21 HG23 THR 21 3.847 -2.436 -1.405 136 H LEU 22 HN LEU 22 4.596 1.343 -0.430 137 HA LEU 22 HA LEU 22 5.954 -0.639 1.072 138 1HB LEU 22 HB2 LEU 22 6.494 2.235 0.536 139 2HB LEU 22 HB1 LEU 22 7.413 1.395 1.753 140 HG LEU 22 HG LEU 22 7.282 0.730 -1.183 141 1HD1 LEU 22 HD11 LEU 22 9.680 1.266 -1.128 142 2HD1 LEU 22 HD12 LEU 22 9.538 1.672 0.601 143 3HD1 LEU 22 HD13 LEU 22 8.701 2.647 -0.609 144 1HD2 LEU 22 HD21 LEU 22 7.343 -1.308 0.167 145 2HD2 LEU 22 HD22 LEU 22 8.764 -0.701 1.027 146 3HD2 LEU 22 HD23 LEU 22 8.852 -1.053 -0.700 147 H GLN 23 HN GLN 23 5.019 -1.333 2.820 148 HA GLN 23 HA GLN 23 4.000 0.357 4.891 149 1HB GLN 23 HB2 GLN 23 4.561 -2.593 4.704 150 2HB GLN 23 HB1 GLN 23 4.026 -1.839 6.195 151 1HG GLN 23 HG2 GLN 23 2.509 -1.666 3.598 152 2HG GLN 23 HG1 GLN 23 2.218 -2.891 4.831 153 1HE2 GLN 23 HE21 GLN 23 2.754 -1.119 7.038 154 2HE2 GLN 23 HE22 GLN 23 1.387 -0.047 7.148 155 HA PRO 24 HA PRO 24 7.827 1.327 7.037 156 1HB PRO 24 HB2 PRO 24 6.198 0.646 9.439 157 2HB PRO 24 HB1 PRO 24 7.180 2.080 9.110 158 1HG PRO 24 HG2 PRO 24 4.530 2.167 8.960 159 2HG PRO 24 HG1 PRO 24 5.538 3.061 7.813 160 1HD PRO 24 HD2 PRO 24 3.976 0.574 7.394 161 2HD PRO 24 HD1 PRO 24 4.347 1.870 6.262 162 H GLY 25 HN GLY 25 9.322 -0.239 6.745 163 1HA GLY 25 HA2 GLY 25 10.501 -1.994 8.069 164 2HA GLY 25 HA1 GLY 25 8.922 -2.761 8.232 165 H MET 26 HN MET 26 8.470 -1.824 5.310 166 HA MET 26 HA MET 26 9.278 -4.265 4.081 167 1HB MET 26 HB2 MET 26 8.068 -1.725 3.035 168 2HB MET 26 HB1 MET 26 8.612 -2.979 1.923 169 1HG MET 26 HG2 MET 26 7.128 -4.597 3.149 170 2HG MET 26 HG1 MET 26 6.483 -3.208 4.037 171 1HE MET 26 HE1 MET 26 4.036 -3.963 3.172 172 2HE MET 26 HE2 MET 26 4.797 -5.287 2.287 173 3HE MET 26 HE3 MET 26 3.663 -4.212 1.463 174 H ARG 27 HN ARG 27 10.849 -4.696 2.639 175 HA ARG 27 HA ARG 27 13.192 -3.022 2.782 176 1HB ARG 27 HB2 ARG 27 13.253 -5.515 3.020 177 2HB ARG 27 HB1 ARG 27 12.854 -5.623 1.292 178 1HG ARG 27 HG2 ARG 27 14.952 -5.098 0.662 179 2HG ARG 27 HG1 ARG 27 15.167 -3.923 1.976 180 1HD ARG 27 HD2 ARG 27 15.309 -6.916 2.212 181 2HD ARG 27 HD1 ARG 27 16.667 -5.796 2.268 182 HE ARG 27 HE ARG 27 15.177 -4.904 4.293 183 1HH1 ARG 27 HH11 ARG 27 16.122 -8.141 3.421 184 2HH1 ARG 27 HH12 ARG 27 16.109 -8.729 5.061 185 1HH2 ARG 27 HH21 ARG 27 15.092 -5.647 6.458 186 2HH2 ARG 27 HH22 ARG 27 15.508 -7.304 6.802 187 H VAL 28 HN VAL 28 14.339 -2.141 1.038 188 HA VAL 28 HA VAL 28 12.788 -1.810 -1.439 189 HB VAL 28 HB VAL 28 13.408 0.554 -1.557 190 1HG1 VAL 28 HG11 VAL 28 11.328 0.026 -0.448 191 2HG1 VAL 28 HG12 VAL 28 12.093 1.410 0.337 192 3HG1 VAL 28 HG13 VAL 28 12.169 -0.186 1.092 193 1HG2 VAL 28 HG21 VAL 28 15.569 0.352 -0.349 194 2HG2 VAL 28 HG22 VAL 28 14.662 0.181 1.162 195 3HG2 VAL 28 HG23 VAL 28 14.556 1.671 0.246 196 H ARG 29 HN ARG 29 14.039 -1.350 -3.295 197 HA ARG 29 HA ARG 29 16.944 -1.867 -3.042 198 1HB ARG 29 HB2 ARG 29 15.672 -3.695 -4.128 199 2HB ARG 29 HB1 ARG 29 15.125 -2.560 -5.363 200 1HG ARG 29 HG2 ARG 29 17.400 -2.242 -6.113 201 2HG ARG 29 HG1 ARG 29 17.990 -3.298 -4.836 202 1HD ARG 29 HD2 ARG 29 16.841 -5.185 -5.773 203 2HD ARG 29 HD1 ARG 29 16.043 -4.163 -6.972 204 HE ARG 29 HE ARG 29 18.924 -4.808 -6.937 205 1HH1 ARG 29 HH11 ARG 29 16.012 -3.862 -8.631 206 2HH1 ARG 29 HH12 ARG 29 16.787 -3.797 -10.187 207 1HH2 ARG 29 HH21 ARG 29 19.914 -4.827 -8.977 208 2HH2 ARG 29 HH22 ARG 29 18.997 -4.365 -10.381 209 H MET 30 HN MET 30 18.326 -0.503 -4.047 210 HA MET 30 HA MET 30 17.257 2.015 -5.027 211 1HB MET 30 HB2 MET 30 19.171 1.913 -3.420 212 2HB MET 30 HB1 MET 30 20.125 1.116 -4.675 213 1HG MET 30 HG2 MET 30 20.694 3.452 -4.532 214 2HG MET 30 HG1 MET 30 19.898 3.124 -6.071 215 1HE MET 30 HE1 MET 30 19.745 5.870 -6.197 216 2HE MET 30 HE2 MET 30 20.463 5.941 -4.590 217 3HE MET 30 HE3 MET 30 18.976 6.821 -4.925 218 H LEU 31 HN LEU 31 16.863 2.333 -7.121 219 HA LEU 31 HA LEU 31 17.976 0.469 -9.061 220 1HB LEU 31 HB2 LEU 31 15.861 2.578 -9.311 221 2HB LEU 31 HB1 LEU 31 16.364 1.533 -10.629 222 HG LEU 31 HG LEU 31 15.075 0.629 -8.055 223 1HD1 LEU 31 HD11 LEU 31 14.013 0.751 -10.893 224 2HD1 LEU 31 HD12 LEU 31 13.535 1.800 -9.553 225 3HD1 LEU 31 HD13 LEU 31 13.167 0.084 -9.491 226 1HD2 LEU 31 HD21 LEU 31 16.692 -0.973 -8.980 227 2HD2 LEU 31 HD22 LEU 31 15.816 -0.947 -10.513 228 3HD2 LEU 31 HD23 LEU 31 15.038 -1.571 -9.063 229 H ASP 32 HN ASP 32 18.648 3.640 -7.967 230 HA ASP 32 HA ASP 32 19.946 4.310 -10.504 231 1HB ASP 32 HB2 ASP 32 17.888 5.635 -10.061 232 2HB ASP 32 HB1 ASP 32 18.631 6.219 -8.568 233 H ASP 33 HN ASP 33 21.910 5.572 -10.319 234 HA ASP 33 HA ASP 33 23.246 5.281 -7.704 235 1HB ASP 33 HB2 ASP 33 24.385 4.293 -9.706 236 2HB ASP 33 HB1 ASP 33 24.471 5.891 -10.430 237 H TYR 34 HN TYR 34 23.607 7.129 -6.518 238 HA TYR 34 HA TYR 34 23.401 9.732 -7.742 239 1HB TYR 34 HB2 TYR 34 21.087 9.089 -7.906 240 2HB TYR 34 HB1 TYR 34 21.054 8.592 -6.216 241 HD1 TYR 34 HD1 TYR 34 20.247 10.044 -4.644 242 HD2 TYR 34 HD2 TYR 34 21.633 11.650 -8.339 243 HE1 TYR 34 HE1 TYR 34 19.445 12.268 -3.983 244 HE2 TYR 34 HE2 TYR 34 20.810 13.863 -7.682 245 HH TYR 34 HH TYR 34 19.883 14.628 -4.517 246 H GLU 35 HN GLU 35 25.102 10.502 -6.600 247 HA GLU 35 HA GLU 35 25.878 11.953 -5.050 248 1HB GLU 35 HB2 GLU 35 23.547 12.707 -4.914 249 2HB GLU 35 HB1 GLU 35 23.251 11.554 -3.612 250 1HG GLU 35 HG2 GLU 35 25.027 12.696 -2.307 251 2HG GLU 35 HG1 GLU 35 25.116 13.924 -3.589 252 H GLU 36 HN GLU 36 24.960 8.815 -4.006 253 HA GLU 36 HA GLU 36 26.836 8.699 -1.896 254 1HB GLU 36 HB2 GLU 36 25.048 10.155 -0.895 255 2HB GLU 36 HB1 GLU 36 23.942 8.797 -1.054 256 1HG GLU 36 HG2 GLU 36 24.633 8.748 1.163 257 2HG GLU 36 HG1 GLU 36 25.571 7.486 0.370 258 H ILE 37 HN ILE 37 23.757 7.522 -3.089 259 HA ILE 37 HA ILE 37 24.467 4.799 -2.268 260 HB ILE 37 HB ILE 37 21.799 5.705 -3.363 261 1HG1 ILE 37 HG12 ILE 37 22.310 7.070 -1.398 262 2HG1 ILE 37 HG11 ILE 37 21.051 5.893 -1.004 263 1HG2 ILE 37 HG21 ILE 37 22.153 3.316 -3.369 264 2HG2 ILE 37 HG22 ILE 37 20.970 3.731 -2.138 265 3HG2 ILE 37 HG23 ILE 37 22.635 3.340 -1.683 266 1HD1 ILE 37 HD11 ILE 37 22.716 4.482 0.080 267 2HD1 ILE 37 HD12 ILE 37 22.655 6.092 0.797 268 3HD1 ILE 37 HD13 ILE 37 23.974 5.667 -0.307 269 H SER 38 HN SER 38 24.206 3.034 -3.813 270 HA SER 38 HA SER 38 24.696 3.953 -6.561 271 1HB SER 38 HB2 SER 38 25.797 1.448 -5.252 272 2HB SER 38 HB1 SER 38 26.244 2.096 -6.831 273 HG SER 38 HG SER 38 26.557 3.895 -4.792 274 H ALA 39 HN ALA 39 24.026 2.397 -8.249 275 HA ALA 39 HA ALA 39 21.445 1.369 -7.738 276 1HB ALA 39 HB1 ALA 39 23.233 0.895 -10.122 277 2HB ALA 39 HB2 ALA 39 22.077 2.218 -9.953 278 3HB ALA 39 HB3 ALA 39 21.518 0.548 -10.031 279 H GLY 40 HN GLY 40 20.803 -0.649 -7.187 280 1HA GLY 40 HA2 GLY 40 21.102 -3.039 -7.139 281 2HA GLY 40 HA1 GLY 40 22.840 -2.770 -7.203 282 H ASP 41 HN ASP 41 22.162 -0.506 -5.106 283 HA ASP 41 HA ASP 41 22.730 -2.054 -2.822 284 1HB ASP 41 HB2 ASP 41 22.072 0.836 -3.219 285 2HB ASP 41 HB1 ASP 41 22.106 0.154 -1.603 286 H GLU 42 HN GLU 42 21.451 -2.374 -0.938 287 HA GLU 42 HA GLU 42 18.558 -2.352 -1.493 288 1HB GLU 42 HB2 GLU 42 19.762 -4.615 -1.630 289 2HB GLU 42 HB1 GLU 42 20.007 -4.470 0.112 290 1HG GLU 42 HG2 GLU 42 17.598 -4.431 0.457 291 2HG GLU 42 HG1 GLU 42 17.325 -4.501 -1.277 292 H GLY 43 HN GLY 43 17.212 -1.914 0.287 293 1HA GLY 43 HA2 GLY 43 18.468 -1.179 2.831 294 2HA GLY 43 HA1 GLY 43 17.744 0.129 1.904 295 H GLU 44 HN GLU 44 16.578 -0.002 4.150 296 HA GLU 44 HA GLU 44 14.073 -1.480 3.634 297 1HB GLU 44 HB2 GLU 44 15.618 -2.446 5.481 298 2HB GLU 44 HB1 GLU 44 15.129 -1.039 6.425 299 1HG GLU 44 HG2 GLU 44 12.799 -1.709 6.261 300 2HG GLU 44 HG1 GLU 44 13.269 -3.096 5.265 301 H PHE 45 HN PHE 45 12.161 -0.446 4.321 302 HA PHE 45 HA PHE 45 12.449 2.453 4.251 303 1HB PHE 45 HB2 PHE 45 10.867 1.544 2.706 304 2HB PHE 45 HB1 PHE 45 10.071 0.610 3.962 305 HD1 PHE 45 HD1 PHE 45 10.824 4.127 3.023 306 HD2 PHE 45 HD2 PHE 45 8.164 1.452 4.985 307 HE1 PHE 45 HE1 PHE 45 9.255 5.970 3.380 308 HE2 PHE 45 HE2 PHE 45 6.588 3.323 5.369 309 HZ PHE 45 HZ PHE 45 7.140 5.580 4.558 310 H ARG 46 HN ARG 46 12.536 3.566 6.071 311 HA ARG 46 HA ARG 46 11.426 2.448 8.510 312 1HB ARG 46 HB2 ARG 46 13.094 4.897 7.983 313 2HB ARG 46 HB1 ARG 46 12.508 4.447 9.572 314 1HG ARG 46 HG2 ARG 46 13.730 2.311 9.364 315 2HG ARG 46 HG1 ARG 46 14.422 2.878 7.846 316 1HD ARG 46 HD2 ARG 46 15.932 3.206 9.765 317 2HD ARG 46 HD1 ARG 46 15.474 4.723 9.005 318 HE ARG 46 HE ARG 46 13.736 4.809 10.928 319 1HH1 ARG 46 HH11 ARG 46 16.881 3.280 11.242 320 2HH1 ARG 46 HH12 ARG 46 17.068 3.724 12.908 321 1HH2 ARG 46 HH21 ARG 46 13.964 5.348 13.123 322 2HH2 ARG 46 HH22 ARG 46 15.401 4.888 13.981 323 H GLN 47 HN GLN 47 11.222 5.459 6.677 324 HA GLN 47 HA GLN 47 8.496 5.869 6.837 325 1HB GLN 47 HB2 GLN 47 8.366 7.643 8.636 326 2HB GLN 47 HB1 GLN 47 8.632 6.023 9.242 327 1HG GLN 47 HG2 GLN 47 10.131 7.146 10.506 328 2HG GLN 47 HG1 GLN 47 11.165 6.750 9.132 329 1HE2 GLN 47 HE21 GLN 47 8.642 9.213 9.198 330 2HE2 GLN 47 HE22 GLN 47 9.710 10.570 8.995 331 H SER 48 HN SER 48 7.932 8.274 6.443 332 HA SER 48 HA SER 48 10.157 9.524 4.991 333 1HB SER 48 HB2 SER 48 8.422 10.395 3.386 334 2HB SER 48 HB1 SER 48 8.687 8.647 3.345 335 HG SER 48 HG SER 48 6.822 8.865 5.067 336 H ASN 49 HN ASN 49 9.969 11.898 4.749 337 HA ASN 49 HA ASN 49 9.099 13.071 7.248 338 1HB ASN 49 HB2 ASN 49 10.320 14.392 4.790 339 2HB ASN 49 HB1 ASN 49 10.122 15.133 6.392 340 1HD2 ASN 49 HD21 ASN 49 11.924 12.917 4.430 341 2HD2 ASN 49 HD22 ASN 49 13.217 12.655 5.559 342 H ASN 50 HN ASN 50 7.088 13.674 7.548 343 HA ASN 50 HA ASN 50 4.987 14.403 7.258 344 1HB ASN 50 HB2 ASN 50 6.206 15.828 4.899 345 2HB ASN 50 HB1 ASN 50 4.527 16.044 5.382 346 1HD2 ASN 50 HD21 ASN 50 7.799 16.811 6.037 347 2HD2 ASN 50 HD22 ASN 50 7.502 17.874 7.376 348 H GLY 51 HN GLY 51 6.453 12.436 4.998 349 1HA GLY 51 HA2 GLY 51 5.369 10.532 4.115 350 2HA GLY 51 HA1 GLY 51 3.825 11.351 4.302 351 H VAL 52 HN VAL 52 6.563 12.937 2.784 352 HA VAL 52 HA VAL 52 5.145 12.715 0.221 353 HB VAL 52 HB VAL 52 6.161 15.047 -0.199 354 1HG1 VAL 52 HG11 VAL 52 4.289 16.160 0.882 355 2HG1 VAL 52 HG12 VAL 52 4.016 14.719 1.871 356 3HG1 VAL 52 HG13 VAL 52 3.784 14.646 0.122 357 1HG2 VAL 52 HG21 VAL 52 7.712 15.018 1.727 358 2HG2 VAL 52 HG22 VAL 52 6.316 15.048 2.816 359 3HG2 VAL 52 HG23 VAL 52 6.631 16.416 1.739 360 HA PRO 53 HA PRO 53 8.816 11.868 -2.253 361 1HB PRO 53 HB2 PRO 53 10.134 14.461 -2.279 362 2HB PRO 53 HB1 PRO 53 9.430 13.553 -3.606 363 1HG PRO 53 HG2 PRO 53 8.260 15.730 -2.014 364 2HG PRO 53 HG1 PRO 53 7.733 15.082 -3.584 365 1HD PRO 53 HD2 PRO 53 6.324 14.710 -1.313 366 2HD PRO 53 HD1 PRO 53 6.372 13.488 -2.600 367 HA PRO 54 HA PRO 54 12.515 13.064 0.758 368 1HB PRO 54 HB2 PRO 54 11.635 14.135 3.159 369 2HB PRO 54 HB1 PRO 54 12.387 15.037 1.854 370 1HG PRO 54 HG2 PRO 54 9.510 14.731 2.530 371 2HG PRO 54 HG1 PRO 54 10.379 16.167 1.947 372 1HD PRO 54 HD2 PRO 54 8.824 14.700 0.319 373 2HD PRO 54 HD1 PRO 54 10.325 15.452 -0.266 374 H VAL 55 HN VAL 55 12.760 10.970 1.113 375 HA VAL 55 HA VAL 55 11.052 9.671 3.164 376 HB VAL 55 HB VAL 55 10.407 8.815 0.979 377 1HG1 VAL 55 HG11 VAL 55 13.291 8.104 0.588 378 2HG1 VAL 55 HG12 VAL 55 12.369 9.310 -0.317 379 3HG1 VAL 55 HG13 VAL 55 11.958 7.592 -0.460 380 1HG2 VAL 55 HG21 VAL 55 10.373 7.245 2.825 381 2HG2 VAL 55 HG22 VAL 55 12.060 6.823 2.527 382 3HG2 VAL 55 HG23 VAL 55 10.823 6.401 1.343 383 H GLN 56 HN GLN 56 12.061 8.437 4.669 384 HA GLN 56 HA GLN 56 14.998 8.654 4.662 385 1HB GLN 56 HB2 GLN 56 13.690 9.663 6.545 386 2HB GLN 56 HB1 GLN 56 13.189 8.037 7.004 387 1HG GLN 56 HG2 GLN 56 15.311 7.475 7.730 388 2HG GLN 56 HG1 GLN 56 16.086 8.715 6.751 389 1HE2 GLN 56 HE21 GLN 56 16.331 8.158 9.604 390 2HE2 GLN 56 HE22 GLN 56 15.910 9.622 10.415 391 H VAL 57 HN VAL 57 16.042 6.914 4.020 392 HA VAL 57 HA VAL 57 14.915 4.259 4.597 393 HB VAL 57 HB VAL 57 16.418 5.110 2.124 394 1HG1 VAL 57 HG11 VAL 57 15.285 2.410 2.835 395 2HG1 VAL 57 HG12 VAL 57 16.992 2.829 2.768 396 3HG1 VAL 57 HG13 VAL 57 16.032 2.852 1.302 397 1HG2 VAL 57 HG21 VAL 57 14.113 5.900 2.113 398 2HG2 VAL 57 HG22 VAL 57 13.551 4.265 2.478 399 3HG2 VAL 57 HG23 VAL 57 14.339 4.600 0.936 400 H PHE 58 HN PHE 58 16.248 2.862 5.616 401 HA PHE 58 HA PHE 58 19.053 3.627 5.962 402 1HB PHE 58 HB2 PHE 58 17.634 2.965 7.962 403 2HB PHE 58 HB1 PHE 58 17.556 1.347 7.246 404 HD1 PHE 58 HD1 PHE 58 19.389 -0.172 7.355 405 HD2 PHE 58 HD2 PHE 58 19.787 3.837 8.768 406 HE1 PHE 58 HE1 PHE 58 21.518 -0.762 8.441 407 HE2 PHE 58 HE2 PHE 58 21.921 3.231 9.850 408 HZ PHE 58 HZ PHE 58 22.789 0.944 9.695 409 H TRP 59 HN TRP 59 20.664 2.486 4.997 410 HA TRP 59 HA TRP 59 19.739 0.526 3.022 411 1HB TRP 59 HB2 TRP 59 22.236 2.223 3.089 412 2HB TRP 59 HB1 TRP 59 21.837 1.048 1.840 413 HD1 TRP 59 HD1 TRP 59 21.088 4.576 2.954 414 HE1 TRP 59 HE1 TRP 59 19.502 5.691 1.251 415 HE3 TRP 59 HE3 TRP 59 19.835 0.475 0.158 416 HZ2 TRP 59 HZ2 TRP 59 17.950 4.950 -0.932 417 HZ3 TRP 59 HZ3 TRP 59 18.284 0.768 -1.727 418 HH2 TRP 59 HH2 TRP 59 17.354 2.964 -2.256 419 H GLU 60 HN GLU 60 20.152 -1.510 3.312 420 HA GLU 60 HA GLU 60 21.502 -2.582 5.520 421 1HB GLU 60 HB2 GLU 60 20.879 -3.960 2.905 422 2HB GLU 60 HB1 GLU 60 21.196 -4.729 4.449 423 1HG GLU 60 HG2 GLU 60 18.895 -2.859 3.938 424 2HG GLU 60 HG1 GLU 60 18.778 -4.605 3.766 425 H SER 61 HN SER 61 22.393 -2.496 2.112 426 HA SER 61 HA SER 61 24.866 -3.802 2.391 427 1HB SER 61 HB2 SER 61 25.308 -2.698 0.105 428 2HB SER 61 HB1 SER 61 23.939 -3.815 0.233 429 HG SER 61 HG SER 61 23.921 -1.287 -0.556 430 H THR 62 HN THR 62 24.052 -0.388 2.497 431 HA THR 62 HA THR 62 26.854 0.351 2.570 432 HB THR 62 HB THR 62 24.539 2.239 2.940 433 HG1 THR 62 HG1 THR 62 25.512 0.940 0.621 434 1HG2 THR 62 HG21 THR 62 27.308 2.580 1.794 435 2HG2 THR 62 HG22 THR 62 26.793 3.099 3.394 436 3HG2 THR 62 HG23 THR 62 26.101 3.844 1.947 437 H GLY 63 HN GLY 63 24.021 0.897 4.661 438 1HA GLY 63 HA2 GLY 63 24.050 0.277 7.009 439 2HA GLY 63 HA1 GLY 63 25.799 0.524 7.006 440 H ARG 64 HN ARG 64 23.892 2.862 5.378 441 HA ARG 64 HA ARG 64 23.972 4.640 7.709 442 1HB ARG 64 HB2 ARG 64 24.703 6.493 6.303 443 2HB ARG 64 HB1 ARG 64 25.883 5.187 6.304 444 1HG ARG 64 HG2 ARG 64 24.745 4.424 4.123 445 2HG ARG 64 HG1 ARG 64 24.056 6.050 4.091 446 1HD ARG 64 HD2 ARG 64 27.010 5.401 4.241 447 2HD ARG 64 HD1 ARG 64 26.129 5.853 2.774 448 HE ARG 64 HE ARG 64 25.609 7.945 4.303 449 1HH1 ARG 64 HH11 ARG 64 28.623 6.171 3.918 450 2HH1 ARG 64 HH12 ARG 64 29.635 7.576 4.188 451 1HH2 ARG 64 HH21 ARG 64 26.941 9.781 4.655 452 2HH2 ARG 64 HH22 ARG 64 28.668 9.629 4.602 453 H THR 65 HN THR 65 22.191 6.051 7.894 454 HA THR 65 HA THR 65 19.920 5.481 6.220 455 HB THR 65 HB THR 65 20.003 7.785 8.142 456 HG1 THR 65 HG1 THR 65 20.931 6.240 9.407 457 1HG2 THR 65 HG21 THR 65 17.941 7.344 6.902 458 2HG2 THR 65 HG22 THR 65 17.717 7.023 8.621 459 3HG2 THR 65 HG23 THR 65 17.935 5.679 7.501 460 H TYR 66 HN TYR 66 18.962 6.832 4.739 461 HA TYR 66 HA TYR 66 20.164 9.412 4.203 462 1HB TYR 66 HB2 TYR 66 21.579 7.934 2.930 463 2HB TYR 66 HB1 TYR 66 20.179 7.161 2.181 464 HD1 TYR 66 HD1 TYR 66 19.891 7.690 -0.022 465 HD2 TYR 66 HD2 TYR 66 21.412 10.684 2.602 466 HE1 TYR 66 HE1 TYR 66 19.982 9.269 -1.894 467 HE2 TYR 66 HE2 TYR 66 21.519 12.270 0.716 468 HH TYR 66 HH TYR 66 21.619 12.291 -1.678 469 H TRP 67 HN TRP 67 18.810 10.853 3.072 470 HA TRP 67 HA TRP 67 16.040 9.953 2.819 471 1HB TRP 67 HB2 TRP 67 17.270 12.703 2.448 472 2HB TRP 67 HB1 TRP 67 15.548 12.349 2.333 473 HD1 TRP 67 HD1 TRP 67 15.069 10.614 4.857 474 HE1 TRP 67 HE1 TRP 67 15.326 11.598 7.247 475 HE3 TRP 67 HE3 TRP 67 18.052 14.609 3.746 476 HZ2 TRP 67 HZ2 TRP 67 16.633 13.802 8.454 477 HZ3 TRP 67 HZ3 TRP 67 18.757 16.102 5.555 478 HH2 TRP 67 HH2 TRP 67 18.060 15.710 7.859 479 H VAL 68 HN VAL 68 15.402 9.037 0.956 480 HA VAL 68 HA VAL 68 16.975 9.573 -1.450 481 HB VAL 68 HB VAL 68 15.085 7.278 -1.309 482 1HG1 VAL 68 HG11 VAL 68 16.849 6.143 -2.545 483 2HG1 VAL 68 HG12 VAL 68 17.894 7.563 -2.342 484 3HG1 VAL 68 HG13 VAL 68 16.422 7.671 -3.321 485 1HG2 VAL 68 HG21 VAL 68 17.724 7.252 0.156 486 2HG2 VAL 68 HG22 VAL 68 16.641 5.896 -0.076 487 3HG2 VAL 68 HG23 VAL 68 16.126 7.250 0.926 488 H HIS 69 HN HIS 69 14.699 8.179 -2.967 489 HA HIS 69 HA HIS 69 12.842 10.342 -3.155 490 1HB HIS 69 HB2 HIS 69 14.901 9.854 -5.320 491 2HB HIS 69 HB1 HIS 69 13.318 10.504 -5.713 492 HD1 HIS 69 HD1 HIS 69 16.433 11.423 -3.716 493 HD2 HIS 69 HD2 HIS 69 12.969 13.167 -5.237 494 HE1 HIS 69 HE1 HIS 69 16.699 13.910 -3.390 495 HE2 HIS 69 HE2 HIS 69 14.525 14.907 -4.167 496 H TRP 70 HN TRP 70 10.910 9.476 -3.741 497 HA TRP 70 HA TRP 70 10.571 6.743 -3.756 498 1HB TRP 70 HB2 TRP 70 8.727 8.895 -4.816 499 2HB TRP 70 HB1 TRP 70 8.244 7.226 -4.541 500 HD1 TRP 70 HD1 TRP 70 8.620 10.493 -2.763 501 HE1 TRP 70 HE1 TRP 70 8.098 10.202 -0.259 502 HE3 TRP 70 HE3 TRP 70 8.493 5.399 -2.558 503 HZ2 TRP 70 HZ2 TRP 70 7.682 8.118 1.558 504 HZ3 TRP 70 HZ3 TRP 70 8.027 4.325 -0.393 505 HH2 TRP 70 HH2 TRP 70 7.632 5.654 1.615 506 H HIS 71 HN HIS 71 10.865 8.839 -6.575 507 HA HIS 71 HA HIS 71 9.910 7.005 -8.477 508 1HB HIS 71 HB2 HIS 71 10.649 8.478 -10.137 509 2HB HIS 71 HB1 HIS 71 10.339 9.526 -8.754 510 HD1 HIS 71 HD1 HIS 71 12.768 8.840 -11.277 511 HD2 HIS 71 HD2 HIS 71 12.940 10.081 -7.322 512 HE1 HIS 71 HE1 HIS 71 15.037 9.856 -10.998 513 HE2 HIS 71 HE2 HIS 71 15.117 10.676 -8.616 514 H MET 72 HN MET 72 12.881 6.938 -6.744 515 HA MET 72 HA MET 72 14.168 5.368 -8.890 516 1HB MET 72 HB2 MET 72 16.287 6.103 -8.090 517 2HB MET 72 HB1 MET 72 15.255 7.519 -8.128 518 1HG MET 72 HG2 MET 72 14.821 6.786 -5.601 519 2HG MET 72 HG1 MET 72 16.433 6.106 -5.823 520 1HE MET 72 HE1 MET 72 18.375 9.400 -6.938 521 2HE MET 72 HE2 MET 72 17.582 8.220 -7.978 522 3HE MET 72 HE3 MET 72 18.580 7.680 -6.632 523 H LEU 73 HN LEU 73 12.392 4.796 -6.318 524 HA LEU 73 HA LEU 73 14.164 2.756 -5.149 525 1HB LEU 73 HB2 LEU 73 11.596 3.972 -4.131 526 2HB LEU 73 HB1 LEU 73 12.474 2.684 -3.318 527 HG LEU 73 HG LEU 73 13.539 5.465 -3.796 528 1HD1 LEU 73 HD11 LEU 73 12.560 4.120 -1.287 529 2HD1 LEU 73 HD12 LEU 73 11.737 5.428 -2.144 530 3HD1 LEU 73 HD13 LEU 73 13.309 5.715 -1.367 531 1HD2 LEU 73 HD21 LEU 73 15.297 3.789 -3.808 532 2HD2 LEU 73 HD22 LEU 73 14.699 3.123 -2.283 533 3HD2 LEU 73 HD23 LEU 73 15.369 4.760 -2.331 534 H GLU 74 HN GLU 74 13.788 0.680 -5.472 535 HA GLU 74 HA GLU 74 11.315 -0.102 -6.833 536 1HB GLU 74 HB2 GLU 74 13.475 -0.729 -7.889 537 2HB GLU 74 HB1 GLU 74 13.892 -1.629 -6.446 538 1HG GLU 74 HG2 GLU 74 12.210 -3.246 -6.829 539 2HG GLU 74 HG1 GLU 74 11.478 -2.253 -8.087 540 H ILE 75 HN ILE 75 9.864 -1.436 -5.801 541 HA ILE 75 HA ILE 75 10.353 -1.689 -2.944 542 HB ILE 75 HB ILE 75 7.975 -2.184 -2.687 543 1HG1 ILE 75 HG12 ILE 75 7.764 -1.891 -5.692 544 2HG1 ILE 75 HG11 ILE 75 7.640 -3.418 -4.816 545 1HG2 ILE 75 HG21 ILE 75 8.683 0.141 -2.711 546 2HG2 ILE 75 HG22 ILE 75 7.094 -0.022 -3.468 547 3HG2 ILE 75 HG23 ILE 75 8.527 0.178 -4.475 548 1HD1 ILE 75 HD11 ILE 75 5.801 -1.054 -4.552 549 2HD1 ILE 75 HD12 ILE 75 5.655 -2.562 -3.654 550 3HD1 ILE 75 HD13 ILE 75 5.453 -2.561 -5.402 551 H LEU 76 HN LEU 76 10.963 -3.464 -2.017 552 HA LEU 76 HA LEU 76 10.619 -6.012 -3.425 553 1HB LEU 76 HB2 LEU 76 12.372 -5.318 -1.061 554 2HB LEU 76 HB1 LEU 76 12.323 -6.872 -1.867 555 HG LEU 76 HG LEU 76 13.247 -4.288 -3.123 556 1HD1 LEU 76 HD11 LEU 76 15.460 -5.298 -3.049 557 2HD1 LEU 76 HD12 LEU 76 14.801 -6.703 -2.217 558 3HD1 LEU 76 HD13 LEU 76 14.787 -5.124 -1.425 559 1HD2 LEU 76 HD21 LEU 76 13.980 -5.689 -4.979 560 2HD2 LEU 76 HD22 LEU 76 12.237 -5.807 -4.755 561 3HD2 LEU 76 HD23 LEU 76 13.282 -7.101 -4.198 562 H GLY 77 HN GLY 77 9.784 -4.167 -0.616 563 1HA GLY 77 HA2 GLY 77 8.318 -4.558 1.110 564 2HA GLY 77 HA1 GLY 77 7.597 -5.800 0.094 565 H PHE 78 HN PHE 78 7.607 -7.752 0.937 566 HA PHE 78 HA PHE 78 9.954 -8.515 2.545 567 1HB PHE 78 HB2 PHE 78 7.685 -8.786 3.597 568 2HB PHE 78 HB1 PHE 78 7.300 -9.965 2.341 569 HD1 PHE 78 HD1 PHE 78 7.679 -12.195 2.775 570 HD2 PHE 78 HD2 PHE 78 9.886 -9.269 4.918 571 HE1 PHE 78 HE1 PHE 78 8.682 -13.970 4.158 572 HE2 PHE 78 HE2 PHE 78 10.897 -11.022 6.326 573 HZ PHE 78 HZ PHE 78 10.300 -13.369 5.928 574 H GLU 79 HN GLU 79 11.281 -10.085 1.825 575 HA GLU 79 HA GLU 79 11.664 -10.357 -0.872 576 1HB GLU 79 HB2 GLU 79 13.239 -12.179 -0.279 577 2HB GLU 79 HB1 GLU 79 13.425 -10.712 0.694 578 1HG GLU 79 HG2 GLU 79 12.010 -11.857 2.431 579 2HG GLU 79 HG1 GLU 79 12.181 -13.325 1.487 580 H GLU 80 HN GLU 80 9.688 -12.421 1.148 581 HA GLU 80 HA GLU 80 9.026 -13.925 -1.291 582 1HB GLU 80 HB2 GLU 80 8.644 -15.927 0.249 583 2HB GLU 80 HB1 GLU 80 10.314 -15.457 -0.066 584 1HG GLU 80 HG2 GLU 80 10.291 -14.228 2.115 585 2HG GLU 80 HG1 GLU 80 8.705 -14.918 2.422 Start of MODEL 13 1 H MET 4 HN MET 4 13.650 3.109 -18.258 2 HA MET 4 HA MET 4 15.338 4.835 -16.668 3 1HB MET 4 HB2 MET 4 15.042 6.049 -18.828 4 2HB MET 4 HB1 MET 4 13.299 6.011 -18.561 5 1HG MET 4 HG2 MET 4 13.660 7.293 -16.459 6 2HG MET 4 HG1 MET 4 15.369 7.425 -16.900 7 1HE MET 4 HE1 MET 4 13.571 9.915 -16.232 8 2HE MET 4 HE2 MET 4 14.033 11.038 -17.509 9 3HE MET 4 HE3 MET 4 15.261 10.055 -16.696 10 H ARG 5 HN ARG 5 14.202 5.790 -14.916 11 HA ARG 5 HA ARG 5 12.081 4.280 -13.888 12 1HB ARG 5 HB2 ARG 5 13.671 5.552 -12.517 13 2HB ARG 5 HB1 ARG 5 13.015 7.058 -13.133 14 1HG ARG 5 HG2 ARG 5 11.189 5.173 -11.760 15 2HG ARG 5 HG1 ARG 5 12.308 6.137 -10.795 16 1HD ARG 5 HD2 ARG 5 10.189 7.101 -12.710 17 2HD ARG 5 HD1 ARG 5 10.220 7.334 -10.960 18 HE ARG 5 HE ARG 5 12.548 8.475 -12.144 19 1HH1 ARG 5 HH11 ARG 5 9.124 9.045 -11.682 20 2HH1 ARG 5 HH12 ARG 5 9.259 10.767 -11.886 21 1HH2 ARG 5 HH21 ARG 5 12.760 10.687 -12.354 22 2HH2 ARG 5 HH22 ARG 5 11.348 11.701 -12.209 23 H SER 6 HN SER 6 12.145 7.087 -15.919 24 HA SER 6 HA SER 6 9.403 7.776 -15.510 25 1HB SER 6 HB2 SER 6 11.364 8.783 -17.582 26 2HB SER 6 HB1 SER 6 9.817 9.517 -17.175 27 HG SER 6 HG SER 6 11.262 10.624 -15.983 28 H GLU 7 HN GLU 7 10.441 5.110 -16.915 29 HA GLU 7 HA GLU 7 9.075 5.193 -19.425 30 1HB GLU 7 HB2 GLU 7 10.056 2.891 -17.751 31 2HB GLU 7 HB1 GLU 7 9.266 2.672 -19.299 32 1HG GLU 7 HG2 GLU 7 11.043 4.059 -20.330 33 2HG GLU 7 HG1 GLU 7 11.873 4.081 -18.755 34 H PHE 8 HN PHE 8 7.987 5.123 -16.269 35 HA PHE 8 HA PHE 8 5.652 3.507 -16.639 36 1HB PHE 8 HB2 PHE 8 6.533 5.413 -14.486 37 2HB PHE 8 HB1 PHE 8 4.982 4.589 -14.443 38 HD1 PHE 8 HD1 PHE 8 4.801 2.280 -13.899 39 HD2 PHE 8 HD2 PHE 8 8.633 4.101 -14.343 40 HE1 PHE 8 HE1 PHE 8 5.868 0.316 -12.872 41 HE2 PHE 8 HE2 PHE 8 9.690 2.134 -13.347 42 HZ PHE 8 HZ PHE 8 8.307 0.227 -12.602 43 H ALA 9 HN ALA 9 3.519 4.826 -15.759 44 HA ALA 9 HA ALA 9 2.538 5.924 -18.078 45 1HB ALA 9 HB1 ALA 9 0.615 6.602 -16.799 46 2HB ALA 9 HB2 ALA 9 1.540 6.539 -15.308 47 3HB ALA 9 HB3 ALA 9 1.204 5.057 -16.199 48 H SER 10 HN SER 10 3.584 7.787 -15.239 49 HA SER 10 HA SER 10 4.122 10.010 -17.082 50 1HB SER 10 HB2 SER 10 2.794 10.230 -14.376 51 2HB SER 10 HB1 SER 10 3.265 11.586 -15.391 52 HG SER 10 HG SER 10 1.789 9.900 -16.840 53 H GLY 11 HN GLY 11 5.589 7.817 -15.373 54 1HA GLY 11 HA2 GLY 11 7.752 7.729 -14.548 55 2HA GLY 11 HA1 GLY 11 7.844 9.489 -14.667 56 H ASN 12 HN ASN 12 5.931 10.414 -13.129 57 HA ASN 12 HA ASN 12 6.925 9.974 -10.494 58 1HB ASN 12 HB2 ASN 12 5.267 11.608 -9.761 59 2HB ASN 12 HB1 ASN 12 6.072 12.184 -11.225 60 1HD2 ASN 12 HD21 ASN 12 3.104 11.155 -9.794 61 2HD2 ASN 12 HD22 ASN 12 2.084 11.522 -11.151 62 H THR 13 HN THR 13 4.334 8.642 -12.339 63 HA THR 13 HA THR 13 2.490 7.847 -10.467 64 HB THR 13 HB THR 13 3.360 6.064 -12.731 65 HG1 THR 13 HG1 THR 13 1.725 8.412 -12.926 66 1HG2 THR 13 HG21 THR 13 1.543 5.252 -11.332 67 2HG2 THR 13 HG22 THR 13 0.947 5.677 -12.943 68 3HG2 THR 13 HG23 THR 13 0.655 6.766 -11.577 69 H TYR 14 HN TYR 14 5.631 6.439 -11.192 70 HA TYR 14 HA TYR 14 5.280 3.979 -9.915 71 1HB TYR 14 HB2 TYR 14 7.138 4.634 -11.511 72 2HB TYR 14 HB1 TYR 14 7.868 5.495 -10.176 73 HD1 TYR 14 HD1 TYR 14 9.832 4.297 -9.755 74 HD2 TYR 14 HD2 TYR 14 6.131 2.237 -10.090 75 HE1 TYR 14 HE1 TYR 14 10.919 2.213 -9.020 76 HE2 TYR 14 HE2 TYR 14 7.208 0.155 -9.346 77 HH TYR 14 HH TYR 14 10.335 0.080 -8.030 78 H ALA 15 HN ALA 15 6.404 7.109 -8.749 79 HA ALA 15 HA ALA 15 7.114 6.367 -6.157 80 1HB ALA 15 HB1 ALA 15 6.927 8.746 -5.625 81 2HB ALA 15 HB2 ALA 15 6.075 9.008 -7.155 82 3HB ALA 15 HB3 ALA 15 7.761 8.486 -7.166 83 H LEU 16 HN LEU 16 4.003 7.044 -7.617 84 HA LEU 16 HA LEU 16 2.583 7.464 -5.199 85 1HB LEU 16 HB2 LEU 16 1.751 8.251 -7.365 86 2HB LEU 16 HB1 LEU 16 1.652 6.603 -7.932 87 HG LEU 16 HG LEU 16 -0.123 6.152 -6.259 88 1HD1 LEU 16 HD11 LEU 16 0.516 7.843 -4.607 89 2HD1 LEU 16 HD12 LEU 16 -1.188 8.024 -5.091 90 3HD1 LEU 16 HD13 LEU 16 0.041 9.116 -5.738 91 1HD2 LEU 16 HD21 LEU 16 -1.878 7.436 -7.380 92 2HD2 LEU 16 HD22 LEU 16 -0.725 6.770 -8.529 93 3HD2 LEU 16 HD23 LEU 16 -0.654 8.478 -8.096 94 H TYR 17 HN TYR 17 3.152 4.725 -7.307 95 HA TYR 17 HA TYR 17 1.591 2.825 -5.990 96 1HB TYR 17 HB2 TYR 17 2.341 2.295 -8.151 97 2HB TYR 17 HB1 TYR 17 4.025 2.644 -7.749 98 HD1 TYR 17 HD1 TYR 17 1.337 0.337 -6.489 99 HD2 TYR 17 HD2 TYR 17 5.406 0.797 -7.655 100 HE1 TYR 17 HE1 TYR 17 1.744 -2.044 -6.018 101 HE2 TYR 17 HE2 TYR 17 5.809 -1.560 -7.175 102 HH TYR 17 HH TYR 17 3.275 -3.812 -6.597 103 H VAL 18 HN VAL 18 5.073 3.425 -5.673 104 HA VAL 18 HA VAL 18 5.372 1.553 -3.566 105 HB VAL 18 HB VAL 18 7.618 2.542 -3.194 106 1HG1 VAL 18 HG11 VAL 18 7.360 0.864 -4.893 107 2HG1 VAL 18 HG12 VAL 18 8.521 2.070 -5.435 108 3HG1 VAL 18 HG13 VAL 18 6.891 2.076 -6.081 109 1HG2 VAL 18 HG21 VAL 18 7.068 4.884 -3.585 110 2HG2 VAL 18 HG22 VAL 18 6.813 4.551 -5.295 111 3HG2 VAL 18 HG23 VAL 18 8.419 4.366 -4.594 112 H ARG 19 HN ARG 19 5.109 5.101 -3.478 113 HA ARG 19 HA ARG 19 5.542 5.426 -0.766 114 1HB ARG 19 HB2 ARG 19 5.617 7.287 -2.256 115 2HB ARG 19 HB1 ARG 19 3.935 7.065 -2.693 116 1HG ARG 19 HG2 ARG 19 3.225 7.748 -0.510 117 2HG ARG 19 HG1 ARG 19 4.894 7.875 0.038 118 1HD ARG 19 HD2 ARG 19 5.356 9.672 -1.441 119 2HD ARG 19 HD1 ARG 19 3.840 9.420 -2.308 120 HE ARG 19 HE ARG 19 2.966 10.012 0.147 121 1HH1 ARG 19 HH11 ARG 19 5.332 11.561 -1.892 122 2HH1 ARG 19 HH12 ARG 19 5.020 13.164 -1.283 123 1HH2 ARG 19 HH21 ARG 19 2.491 12.099 0.935 124 2HH2 ARG 19 HH22 ARG 19 3.360 13.477 0.290 125 H ASP 20 HN ASP 20 2.547 4.700 -2.449 126 HA ASP 20 HA ASP 20 0.873 5.096 -0.170 127 1HB ASP 20 HB2 ASP 20 0.012 5.244 -2.456 128 2HB ASP 20 HB1 ASP 20 0.358 3.546 -2.726 129 H THR 21 HN THR 21 2.695 2.379 -1.388 130 HA THR 21 HA THR 21 1.135 0.512 0.256 131 HB THR 21 HB THR 21 3.220 -0.232 -1.814 132 HG1 THR 21 HG1 THR 21 1.790 0.833 -3.069 133 1HG2 THR 21 HG21 THR 21 1.959 -2.332 -1.912 134 2HG2 THR 21 HG22 THR 21 0.796 -1.703 -0.740 135 3HG2 THR 21 HG23 THR 21 2.465 -1.997 -0.260 136 H LEU 22 HN LEU 22 4.246 1.994 0.066 137 HA LEU 22 HA LEU 22 5.780 -0.024 1.293 138 1HB LEU 22 HB2 LEU 22 6.635 1.924 -0.018 139 2HB LEU 22 HB1 LEU 22 6.292 2.942 1.374 140 HG LEU 22 HG LEU 22 7.914 1.652 2.711 141 1HD1 LEU 22 HD11 LEU 22 9.388 0.040 1.594 142 2HD1 LEU 22 HD12 LEU 22 8.414 0.155 0.116 143 3HD1 LEU 22 HD13 LEU 22 7.713 -0.494 1.597 144 1HD2 LEU 22 HD21 LEU 22 8.697 3.627 1.581 145 2HD2 LEU 22 HD22 LEU 22 8.960 2.719 0.087 146 3HD2 LEU 22 HD23 LEU 22 9.947 2.380 1.502 147 H GLN 23 HN GLN 23 5.125 -0.825 3.167 148 HA GLN 23 HA GLN 23 4.346 0.905 5.375 149 1HB GLN 23 HB2 GLN 23 4.439 -2.106 5.098 150 2HB GLN 23 HB1 GLN 23 3.879 -1.246 6.518 151 1HG GLN 23 HG2 GLN 23 2.085 -0.226 5.206 152 2HG GLN 23 HG1 GLN 23 2.649 -1.119 3.788 153 1HE2 GLN 23 HE21 GLN 23 2.758 -2.475 6.985 154 2HE2 GLN 23 HE22 GLN 23 1.487 -3.656 6.738 155 HA PRO 24 HA PRO 24 8.278 0.856 7.474 156 1HB PRO 24 HB2 PRO 24 6.602 0.205 9.852 157 2HB PRO 24 HB1 PRO 24 7.828 1.463 9.658 158 1HG PRO 24 HG2 PRO 24 5.246 2.096 9.611 159 2HG PRO 24 HG1 PRO 24 6.394 2.861 8.497 160 1HD PRO 24 HD2 PRO 24 4.400 0.703 7.962 161 2HD PRO 24 HD1 PRO 24 4.897 2.065 6.941 162 H GLY 25 HN GLY 25 9.565 -0.846 7.164 163 1HA GLY 25 HA2 GLY 25 10.414 -2.912 8.186 164 2HA GLY 25 HA1 GLY 25 8.732 -3.454 8.286 165 H MET 26 HN MET 26 8.623 -2.016 5.493 166 HA MET 26 HA MET 26 9.270 -4.385 3.947 167 1HB MET 26 HB2 MET 26 8.165 -1.682 3.143 168 2HB MET 26 HB1 MET 26 8.499 -2.973 2.001 169 1HG MET 26 HG2 MET 26 6.904 -4.408 3.151 170 2HG MET 26 HG1 MET 26 6.521 -3.091 4.267 171 1HE MET 26 HE1 MET 26 3.374 -3.372 1.867 172 2HE MET 26 HE2 MET 26 3.948 -3.497 3.535 173 3HE MET 26 HE3 MET 26 4.424 -4.708 2.339 174 H ARG 27 HN ARG 27 10.954 -4.696 2.762 175 HA ARG 27 HA ARG 27 13.232 -3.011 2.773 176 1HB ARG 27 HB2 ARG 27 12.542 -5.568 1.499 177 2HB ARG 27 HB1 ARG 27 13.763 -4.613 0.654 178 1HG ARG 27 HG2 ARG 27 14.920 -4.446 2.935 179 2HG ARG 27 HG1 ARG 27 13.864 -5.791 3.398 180 1HD ARG 27 HD2 ARG 27 14.713 -7.102 1.519 181 2HD ARG 27 HD1 ARG 27 15.769 -5.763 1.044 182 HE ARG 27 HE ARG 27 16.128 -6.722 3.751 183 1HH1 ARG 27 HH11 ARG 27 17.143 -6.929 0.388 184 2HH1 ARG 27 HH12 ARG 27 18.710 -7.563 0.765 185 1HH2 ARG 27 HH21 ARG 27 18.208 -7.581 4.268 186 2HH2 ARG 27 HH22 ARG 27 19.319 -7.936 2.975 187 H VAL 28 HN VAL 28 14.292 -2.082 0.922 188 HA VAL 28 HA VAL 28 12.497 -1.289 -1.279 189 HB VAL 28 HB VAL 28 13.282 0.983 -1.273 190 1HG1 VAL 28 HG11 VAL 28 12.303 0.177 1.464 191 2HG1 VAL 28 HG12 VAL 28 11.301 0.515 0.048 192 3HG1 VAL 28 HG13 VAL 28 12.239 1.811 0.804 193 1HG2 VAL 28 HG21 VAL 28 14.669 1.871 0.554 194 2HG2 VAL 28 HG22 VAL 28 15.512 0.681 -0.455 195 3HG2 VAL 28 HG23 VAL 28 14.895 0.236 1.140 196 H ARG 29 HN ARG 29 13.509 -0.875 -3.243 197 HA ARG 29 HA ARG 29 16.388 -1.570 -3.400 198 1HB ARG 29 HB2 ARG 29 14.803 -3.337 -4.280 199 2HB ARG 29 HB1 ARG 29 14.281 -2.158 -5.488 200 1HG ARG 29 HG2 ARG 29 16.567 -2.074 -6.358 201 2HG ARG 29 HG1 ARG 29 17.051 -3.281 -5.161 202 1HD ARG 29 HD2 ARG 29 15.370 -4.826 -6.124 203 2HD ARG 29 HD1 ARG 29 15.050 -3.646 -7.385 204 HE ARG 29 HE ARG 29 17.786 -4.695 -7.005 205 1HH1 ARG 29 HH11 ARG 29 14.876 -4.408 -8.958 206 2HH1 ARG 29 HH12 ARG 29 15.636 -5.001 -10.408 207 1HH2 ARG 29 HH21 ARG 29 18.769 -5.482 -8.911 208 2HH2 ARG 29 HH22 ARG 29 17.838 -5.628 -10.381 209 H MET 30 HN MET 30 17.604 -0.035 -4.338 210 HA MET 30 HA MET 30 16.396 2.383 -5.344 211 1HB MET 30 HB2 MET 30 18.463 2.380 -4.011 212 2HB MET 30 HB1 MET 30 19.289 1.492 -5.294 213 1HG MET 30 HG2 MET 30 19.918 3.770 -5.446 214 2HG MET 30 HG1 MET 30 18.855 3.408 -6.800 215 1HE MET 30 HE1 MET 30 18.843 6.138 -7.020 216 2HE MET 30 HE2 MET 30 19.694 6.359 -5.488 217 3HE MET 30 HE3 MET 30 18.164 7.201 -5.781 218 H LEU 31 HN LEU 31 15.761 2.701 -7.406 219 HA LEU 31 HA LEU 31 16.936 0.931 -9.467 220 1HB LEU 31 HB2 LEU 31 14.311 2.386 -9.470 221 2HB LEU 31 HB1 LEU 31 14.911 1.379 -10.763 222 HG LEU 31 HG LEU 31 14.161 0.454 -7.986 223 1HD1 LEU 31 HD11 LEU 31 12.873 -0.016 -10.690 224 2HD1 LEU 31 HD12 LEU 31 12.237 1.002 -9.380 225 3HD1 LEU 31 HD13 LEU 31 12.385 -0.742 -9.150 226 1HD2 LEU 31 HD21 LEU 31 16.047 -0.834 -8.858 227 2HD2 LEU 31 HD22 LEU 31 15.179 -1.094 -10.372 228 3HD2 LEU 31 HD23 LEU 31 14.575 -1.805 -8.876 229 H ASP 32 HN ASP 32 17.185 4.005 -8.347 230 HA ASP 32 HA ASP 32 17.810 5.068 -11.016 231 1HB ASP 32 HB2 ASP 32 15.783 6.019 -9.589 232 2HB ASP 32 HB1 ASP 32 17.079 6.917 -8.783 233 H ASP 33 HN ASP 33 19.146 7.234 -10.524 234 HA ASP 33 HA ASP 33 21.329 6.430 -8.700 235 1HB ASP 33 HB2 ASP 33 22.055 6.138 -10.997 236 2HB ASP 33 HB1 ASP 33 21.568 7.805 -11.397 237 H TYR 34 HN TYR 34 21.735 7.820 -7.127 238 HA TYR 34 HA TYR 34 21.244 10.651 -7.527 239 1HB TYR 34 HB2 TYR 34 19.029 9.884 -6.902 240 2HB TYR 34 HB1 TYR 34 19.690 9.045 -5.493 241 HD1 TYR 34 HD1 TYR 34 19.436 10.059 -3.451 242 HD2 TYR 34 HD2 TYR 34 19.642 12.513 -6.928 243 HE1 TYR 34 HE1 TYR 34 19.048 12.045 -2.064 244 HE2 TYR 34 HE2 TYR 34 19.227 14.505 -5.543 245 HH TYR 34 HH TYR 34 19.331 14.415 -2.075 246 H GLU 35 HN GLU 35 23.252 11.295 -6.973 247 HA GLU 35 HA GLU 35 25.001 11.851 -5.704 248 1HB GLU 35 HB2 GLU 35 23.071 11.347 -3.429 249 2HB GLU 35 HB1 GLU 35 24.565 12.273 -3.331 250 1HG GLU 35 HG2 GLU 35 22.128 12.973 -4.940 251 2HG GLU 35 HG1 GLU 35 22.660 13.749 -3.453 252 H GLU 36 HN GLU 36 24.373 10.220 -2.829 253 HA GLU 36 HA GLU 36 26.688 8.600 -3.195 254 1HB GLU 36 HB2 GLU 36 24.800 8.923 -0.867 255 2HB GLU 36 HB1 GLU 36 26.293 7.996 -0.818 256 1HG GLU 36 HG2 GLU 36 27.584 9.983 -1.269 257 2HG GLU 36 HG1 GLU 36 26.099 10.934 -1.372 258 H ILE 37 HN ILE 37 23.344 8.091 -3.667 259 HA ILE 37 HA ILE 37 23.654 5.180 -3.315 260 HB ILE 37 HB ILE 37 21.047 6.596 -3.895 261 1HG1 ILE 37 HG12 ILE 37 21.939 7.662 -1.913 262 2HG1 ILE 37 HG11 ILE 37 20.563 6.639 -1.507 263 1HG2 ILE 37 HG21 ILE 37 21.676 3.994 -2.498 264 2HG2 ILE 37 HG22 ILE 37 21.142 4.157 -4.176 265 3HG2 ILE 37 HG23 ILE 37 20.073 4.632 -2.856 266 1HD1 ILE 37 HD11 ILE 37 23.467 5.971 -1.109 267 2HD1 ILE 37 HD12 ILE 37 22.102 4.944 -0.652 268 3HD1 ILE 37 HD13 ILE 37 22.350 6.496 0.156 269 H SER 38 HN SER 38 22.999 3.776 -5.048 270 HA SER 38 HA SER 38 22.576 5.017 -7.624 271 1HB SER 38 HB2 SER 38 25.101 4.709 -7.202 272 2HB SER 38 HB1 SER 38 24.772 2.971 -7.310 273 HG SER 38 HG SER 38 24.498 4.938 -9.328 274 H ALA 39 HN ALA 39 22.310 3.189 -9.299 275 HA ALA 39 HA ALA 39 19.998 1.849 -8.540 276 1HB ALA 39 HB1 ALA 39 19.951 0.909 -10.759 277 2HB ALA 39 HB2 ALA 39 21.674 1.258 -10.964 278 3HB ALA 39 HB3 ALA 39 20.511 2.581 -10.840 279 H GLY 40 HN GLY 40 19.602 -0.021 -7.692 280 1HA GLY 40 HA2 GLY 40 19.841 -2.443 -7.735 281 2HA GLY 40 HA1 GLY 40 21.575 -2.216 -7.946 282 H ASP 41 HN ASP 41 21.269 -0.020 -5.756 283 HA ASP 41 HA ASP 41 22.033 -1.615 -3.593 284 1HB ASP 41 HB2 ASP 41 22.341 0.992 -4.103 285 2HB ASP 41 HB1 ASP 41 20.958 1.107 -3.041 286 H GLU 42 HN GLU 42 20.918 -2.089 -1.619 287 HA GLU 42 HA GLU 42 17.990 -1.782 -1.774 288 1HB GLU 42 HB2 GLU 42 19.595 -4.257 -1.111 289 2HB GLU 42 HB1 GLU 42 17.922 -4.061 -0.596 290 1HG GLU 42 HG2 GLU 42 17.178 -3.925 -2.872 291 2HG GLU 42 HG1 GLU 42 18.844 -3.916 -3.452 292 H GLY 43 HN GLY 43 16.917 -1.612 0.212 293 1HA GLY 43 HA2 GLY 43 18.565 -1.348 2.601 294 2HA GLY 43 HA1 GLY 43 17.773 0.110 2.023 295 H GLU 44 HN GLU 44 17.197 -0.539 4.460 296 HA GLU 44 HA GLU 44 14.629 -1.979 4.414 297 1HB GLU 44 HB2 GLU 44 16.372 -2.719 6.046 298 2HB GLU 44 HB1 GLU 44 16.343 -1.105 6.752 299 1HG GLU 44 HG2 GLU 44 15.054 -2.562 8.133 300 2HG GLU 44 HG1 GLU 44 13.929 -1.466 7.304 301 H PHE 45 HN PHE 45 12.738 -0.895 5.029 302 HA PHE 45 HA PHE 45 12.996 2.013 5.068 303 1HB PHE 45 HB2 PHE 45 11.462 1.176 3.404 304 2HB PHE 45 HB1 PHE 45 10.624 0.207 4.619 305 HD1 PHE 45 HD1 PHE 45 11.512 3.754 3.871 306 HD2 PHE 45 HD2 PHE 45 8.684 1.013 5.504 307 HE1 PHE 45 HE1 PHE 45 9.941 5.602 4.270 308 HE2 PHE 45 HE2 PHE 45 7.132 2.853 5.943 309 HZ PHE 45 HZ PHE 45 7.745 5.153 5.312 310 H ARG 46 HN ARG 46 12.938 3.043 6.934 311 HA ARG 46 HA ARG 46 11.803 1.631 9.248 312 1HB ARG 46 HB2 ARG 46 13.850 3.835 9.099 313 2HB ARG 46 HB1 ARG 46 13.218 3.165 10.597 314 1HG ARG 46 HG2 ARG 46 14.148 1.002 10.073 315 2HG ARG 46 HG1 ARG 46 14.675 1.564 8.487 316 1HD ARG 46 HD2 ARG 46 16.547 1.491 10.023 317 2HD ARG 46 HD1 ARG 46 16.174 3.165 9.586 318 HE ARG 46 HE ARG 46 14.844 3.050 11.830 319 1HH1 ARG 46 HH11 ARG 46 17.953 1.530 11.165 320 2HH1 ARG 46 HH12 ARG 46 18.502 1.687 12.805 321 1HH2 ARG 46 HH21 ARG 46 15.589 3.214 13.971 322 2HH2 ARG 46 HH22 ARG 46 17.178 2.635 14.388 323 H GLN 47 HN GLN 47 11.995 4.858 7.780 324 HA GLN 47 HA GLN 47 9.348 5.478 8.650 325 1HB GLN 47 HB2 GLN 47 9.959 7.479 9.941 326 2HB GLN 47 HB1 GLN 47 10.508 5.999 10.703 327 1HG GLN 47 HG2 GLN 47 12.761 6.382 9.841 328 2HG GLN 47 HG1 GLN 47 12.211 7.882 9.104 329 1HE2 GLN 47 HE21 GLN 47 11.640 9.626 10.424 330 2HE2 GLN 47 HE22 GLN 47 12.161 9.711 12.070 331 H SER 48 HN SER 48 8.553 7.453 7.699 332 HA SER 48 HA SER 48 10.367 8.716 5.798 333 1HB SER 48 HB2 SER 48 8.618 8.630 4.045 334 2HB SER 48 HB1 SER 48 9.174 7.016 4.513 335 HG SER 48 HG SER 48 7.304 6.914 5.904 336 H ASN 49 HN ASN 49 9.353 10.708 4.825 337 HA ASN 49 HA ASN 49 7.740 12.097 6.816 338 1HB ASN 49 HB2 ASN 49 9.146 13.036 4.302 339 2HB ASN 49 HB1 ASN 49 8.065 14.065 5.249 340 1HD2 ASN 49 HD21 ASN 49 8.875 13.008 7.810 341 2HD2 ASN 49 HD22 ASN 49 10.483 13.614 8.106 342 H ASN 50 HN ASN 50 5.623 11.813 6.685 343 HA ASN 50 HA ASN 50 4.470 10.665 4.298 344 1HB ASN 50 HB2 ASN 50 2.366 10.668 5.627 345 2HB ASN 50 HB1 ASN 50 3.711 9.916 6.488 346 1HD2 ASN 50 HD21 ASN 50 1.422 12.504 6.457 347 2HD2 ASN 50 HD22 ASN 50 1.847 13.165 8.011 348 H GLY 51 HN GLY 51 5.510 13.390 3.916 349 1HA GLY 51 HA2 GLY 51 3.208 14.533 2.641 350 2HA GLY 51 HA1 GLY 51 3.746 15.446 4.057 351 H VAL 52 HN VAL 52 6.548 14.803 3.727 352 HA VAL 52 HA VAL 52 7.182 16.448 1.367 353 HB VAL 52 HB VAL 52 9.158 15.789 3.546 354 1HG1 VAL 52 HG11 VAL 52 10.002 16.986 1.615 355 2HG1 VAL 52 HG12 VAL 52 10.020 18.026 3.038 356 3HG1 VAL 52 HG13 VAL 52 8.770 18.215 1.810 357 1HG2 VAL 52 HG21 VAL 52 7.177 16.498 4.746 358 2HG2 VAL 52 HG22 VAL 52 7.068 17.934 3.745 359 3HG2 VAL 52 HG23 VAL 52 8.441 17.741 4.837 360 HA PRO 53 HA PRO 53 8.838 13.088 -0.986 361 1HB PRO 53 HB2 PRO 53 11.249 14.760 -1.323 362 2HB PRO 53 HB1 PRO 53 10.239 13.957 -2.539 363 1HG PRO 53 HG2 PRO 53 10.131 16.620 -1.994 364 2HG PRO 53 HG1 PRO 53 8.740 15.694 -2.616 365 1HD PRO 53 HD2 PRO 53 9.189 16.872 0.028 366 2HD PRO 53 HD1 PRO 53 7.679 16.298 -0.724 367 HA PRO 54 HA PRO 54 13.220 12.481 1.185 368 1HB PRO 54 HB2 PRO 54 13.103 13.358 3.841 369 2HB PRO 54 HB1 PRO 54 14.011 14.114 2.523 370 1HG PRO 54 HG2 PRO 54 11.325 14.812 3.627 371 2HG PRO 54 HG1 PRO 54 12.605 15.879 3.029 372 1HD PRO 54 HD2 PRO 54 10.432 15.375 1.542 373 2HD PRO 54 HD1 PRO 54 12.046 15.514 0.815 374 H VAL 55 HN VAL 55 13.370 10.473 1.775 375 HA VAL 55 HA VAL 55 11.520 9.387 3.780 376 HB VAL 55 HB VAL 55 10.755 8.557 1.628 377 1HG1 VAL 55 HG11 VAL 55 13.552 7.500 1.239 378 2HG1 VAL 55 HG12 VAL 55 12.827 8.840 0.351 379 3HG1 VAL 55 HG13 VAL 55 12.173 7.223 0.173 380 1HG2 VAL 55 HG21 VAL 55 10.681 7.029 3.548 381 2HG2 VAL 55 HG22 VAL 55 12.260 6.400 3.103 382 3HG2 VAL 55 HG23 VAL 55 10.887 6.160 2.022 383 H GLN 56 HN GLN 56 12.429 8.001 5.285 384 HA GLN 56 HA GLN 56 15.344 8.100 5.364 385 1HB GLN 56 HB2 GLN 56 14.193 9.001 7.316 386 2HB GLN 56 HB1 GLN 56 13.302 7.491 7.522 387 1HG GLN 56 HG2 GLN 56 15.083 7.547 9.109 388 2HG GLN 56 HG1 GLN 56 15.475 6.315 7.913 389 1HE2 GLN 56 HE21 GLN 56 16.335 9.362 9.293 390 2HE2 GLN 56 HE22 GLN 56 17.849 9.544 8.446 391 H VAL 57 HN VAL 57 16.335 6.378 4.493 392 HA VAL 57 HA VAL 57 15.166 3.706 4.978 393 HB VAL 57 HB VAL 57 16.620 4.678 2.510 394 1HG1 VAL 57 HG11 VAL 57 16.154 2.449 1.602 395 2HG1 VAL 57 HG12 VAL 57 15.516 1.950 3.164 396 3HG1 VAL 57 HG13 VAL 57 17.215 2.373 3.002 397 1HG2 VAL 57 HG21 VAL 57 14.525 4.224 1.361 398 2HG2 VAL 57 HG22 VAL 57 14.340 5.462 2.600 399 3HG2 VAL 57 HG23 VAL 57 13.758 3.822 2.894 400 H PHE 58 HN PHE 58 16.546 2.201 5.792 401 HA PHE 58 HA PHE 58 19.296 3.004 6.262 402 1HB PHE 58 HB2 PHE 58 17.965 2.012 8.082 403 2HB PHE 58 HB1 PHE 58 17.861 0.507 7.171 404 HD1 PHE 58 HD1 PHE 58 19.928 -0.805 6.747 405 HD2 PHE 58 HD2 PHE 58 19.883 2.528 9.372 406 HE1 PHE 58 HE1 PHE 58 22.031 -1.572 7.750 407 HE2 PHE 58 HE2 PHE 58 21.989 1.777 10.393 408 HZ PHE 58 HZ PHE 58 23.054 -0.293 9.590 409 H TRP 59 HN TRP 59 20.697 2.593 4.700 410 HA TRP 59 HA TRP 59 20.059 0.612 2.671 411 1HB TRP 59 HB2 TRP 59 22.366 2.550 2.951 412 2HB TRP 59 HB1 TRP 59 22.200 1.401 1.618 413 HD1 TRP 59 HD1 TRP 59 21.143 4.809 2.698 414 HE1 TRP 59 HE1 TRP 59 19.438 5.773 1.030 415 HE3 TRP 59 HE3 TRP 59 20.118 0.582 0.014 416 HZ2 TRP 59 HZ2 TRP 59 17.890 4.888 -1.119 417 HZ3 TRP 59 HZ3 TRP 59 18.506 0.744 -1.847 418 HH2 TRP 59 HH2 TRP 59 17.410 2.838 -2.395 419 H GLU 60 HN GLU 60 20.525 -1.420 2.934 420 HA GLU 60 HA GLU 60 22.011 -2.486 5.041 421 1HB GLU 60 HB2 GLU 60 21.222 -3.747 2.400 422 2HB GLU 60 HB1 GLU 60 21.871 -4.630 3.767 423 1HG GLU 60 HG2 GLU 60 19.327 -3.045 3.838 424 2HG GLU 60 HG1 GLU 60 19.414 -4.766 3.501 425 H SER 61 HN SER 61 22.793 -2.052 1.633 426 HA SER 61 HA SER 61 25.245 -3.322 1.568 427 1HB SER 61 HB2 SER 61 24.702 -0.858 -0.063 428 2HB SER 61 HB1 SER 61 25.539 -2.337 -0.545 429 HG SER 61 HG SER 61 22.942 -1.699 -0.785 430 H THR 62 HN THR 62 24.455 0.003 2.445 431 HA THR 62 HA THR 62 27.264 0.736 2.765 432 HB THR 62 HB THR 62 24.862 2.417 3.486 433 HG1 THR 62 HG1 THR 62 25.816 1.645 0.971 434 1HG2 THR 62 HG21 THR 62 27.648 3.091 2.556 435 2HG2 THR 62 HG22 THR 62 27.031 3.256 4.198 436 3HG2 THR 62 HG23 THR 62 26.368 4.266 2.910 437 H GLY 63 HN GLY 63 24.363 0.396 4.767 438 1HA GLY 63 HA2 GLY 63 24.355 -0.468 6.981 439 2HA GLY 63 HA1 GLY 63 26.063 -0.070 7.114 440 H ARG 64 HN ARG 64 23.931 2.334 5.809 441 HA ARG 64 HA ARG 64 23.761 3.683 8.394 442 1HB ARG 64 HB2 ARG 64 24.860 4.866 5.851 443 2HB ARG 64 HB1 ARG 64 24.277 5.879 7.167 444 1HG ARG 64 HG2 ARG 64 26.502 5.833 7.638 445 2HG ARG 64 HG1 ARG 64 25.949 4.455 8.586 446 1HD ARG 64 HD2 ARG 64 26.569 2.959 6.698 447 2HD ARG 64 HD1 ARG 64 27.237 4.357 5.862 448 HE ARG 64 HE ARG 64 28.236 3.450 8.470 449 1HH1 ARG 64 HH11 ARG 64 28.782 4.632 5.211 450 2HH1 ARG 64 HH12 ARG 64 30.511 4.582 5.376 451 1HH2 ARG 64 HH21 ARG 64 30.529 3.405 8.656 452 2HH2 ARG 64 HH22 ARG 64 31.499 3.935 7.313 453 H THR 65 HN THR 65 22.135 5.372 8.453 454 HA THR 65 HA THR 65 19.891 4.874 6.683 455 HB THR 65 HB THR 65 19.080 6.935 8.277 456 HG1 THR 65 HG1 THR 65 21.249 6.615 9.361 457 1HG2 THR 65 HG21 THR 65 17.816 4.906 7.960 458 2HG2 THR 65 HG22 THR 65 18.039 5.135 9.697 459 3HG2 THR 65 HG23 THR 65 19.020 3.960 8.824 460 H TYR 66 HN TYR 66 18.924 6.414 5.385 461 HA TYR 66 HA TYR 66 20.374 8.874 4.833 462 1HB TYR 66 HB2 TYR 66 21.429 6.859 3.568 463 2HB TYR 66 HB1 TYR 66 19.981 6.943 2.555 464 HD1 TYR 66 HD1 TYR 66 19.893 8.492 0.768 465 HD2 TYR 66 HD2 TYR 66 22.855 8.935 3.784 466 HE1 TYR 66 HE1 TYR 66 21.010 10.219 -0.588 467 HE2 TYR 66 HE2 TYR 66 23.985 10.654 2.457 468 HH TYR 66 HH TYR 66 24.177 11.449 0.268 469 H TRP 67 HN TRP 67 19.109 10.381 3.691 470 HA TRP 67 HA TRP 67 16.281 9.676 3.456 471 1HB TRP 67 HB2 TRP 67 17.728 12.312 3.467 472 2HB TRP 67 HB1 TRP 67 16.041 12.180 2.958 473 HD1 TRP 67 HD1 TRP 67 14.265 11.397 4.879 474 HE1 TRP 67 HE1 TRP 67 14.302 11.742 7.434 475 HE3 TRP 67 HE3 TRP 67 19.223 12.492 5.457 476 HZ2 TRP 67 HZ2 TRP 67 16.196 12.416 9.419 477 HZ3 TRP 67 HZ3 TRP 67 20.070 12.977 7.717 478 HH2 TRP 67 HH2 TRP 67 18.598 12.947 9.646 479 H VAL 68 HN VAL 68 15.577 8.970 1.553 480 HA VAL 68 HA VAL 68 16.964 9.876 -0.872 481 HB VAL 68 HB VAL 68 15.156 7.477 -0.826 482 1HG1 VAL 68 HG11 VAL 68 16.803 6.632 -2.469 483 2HG1 VAL 68 HG12 VAL 68 17.644 8.174 -2.353 484 3HG1 VAL 68 HG13 VAL 68 15.997 8.115 -2.976 485 1HG2 VAL 68 HG21 VAL 68 16.665 7.250 1.140 486 2HG2 VAL 68 HG22 VAL 68 18.037 7.312 0.029 487 3HG2 VAL 68 HG23 VAL 68 16.868 6.005 -0.083 488 H HIS 69 HN HIS 69 15.350 9.776 -2.851 489 HA HIS 69 HA HIS 69 12.849 11.079 -2.084 490 1HB HIS 69 HB2 HIS 69 14.204 10.862 -4.777 491 2HB HIS 69 HB1 HIS 69 12.675 11.693 -4.479 492 HD1 HIS 69 HD1 HIS 69 12.880 14.115 -4.099 493 HD2 HIS 69 HD2 HIS 69 16.409 12.095 -3.228 494 HE1 HIS 69 HE1 HIS 69 14.572 15.892 -3.536 495 HE2 HIS 69 HE2 HIS 69 16.730 14.656 -3.224 496 H TRP 70 HN TRP 70 10.864 10.192 -2.489 497 HA TRP 70 HA TRP 70 10.436 7.526 -2.563 498 1HB TRP 70 HB2 TRP 70 8.678 9.725 -3.612 499 2HB TRP 70 HB1 TRP 70 8.140 8.065 -3.471 500 HD1 TRP 70 HD1 TRP 70 8.456 11.233 -1.524 501 HE1 TRP 70 HE1 TRP 70 7.788 10.807 0.951 502 HE3 TRP 70 HE3 TRP 70 8.302 6.105 -1.526 503 HZ2 TRP 70 HZ2 TRP 70 7.259 8.639 2.616 504 HZ3 TRP 70 HZ3 TRP 70 7.706 4.950 0.541 505 HH2 TRP 70 HH2 TRP 70 7.189 6.185 2.576 506 H HIS 71 HN HIS 71 10.522 9.614 -5.436 507 HA HIS 71 HA HIS 71 9.412 7.680 -7.159 508 1HB HIS 71 HB2 HIS 71 9.870 9.200 -8.967 509 2HB HIS 71 HB1 HIS 71 9.393 10.147 -7.554 510 HD1 HIS 71 HD1 HIS 71 12.304 9.430 -9.781 511 HD2 HIS 71 HD2 HIS 71 11.383 11.822 -6.512 512 HE1 HIS 71 HE1 HIS 71 14.204 11.051 -9.603 513 HE2 HIS 71 HE2 HIS 71 13.604 12.544 -7.644 514 H MET 72 HN MET 72 12.485 7.546 -5.846 515 HA MET 72 HA MET 72 13.520 6.188 -8.245 516 1HB MET 72 HB2 MET 72 15.786 6.623 -7.340 517 2HB MET 72 HB1 MET 72 14.886 8.088 -7.702 518 1HG MET 72 HG2 MET 72 14.288 8.229 -5.299 519 2HG MET 72 HG1 MET 72 15.356 6.855 -4.999 520 1HE MET 72 HE1 MET 72 15.985 9.669 -7.668 521 2HE MET 72 HE2 MET 72 16.859 10.878 -6.710 522 3HE MET 72 HE3 MET 72 15.156 10.552 -6.374 523 H LEU 73 HN LEU 73 11.994 5.381 -5.591 524 HA LEU 73 HA LEU 73 13.783 3.135 -4.901 525 1HB LEU 73 HB2 LEU 73 11.616 4.416 -3.235 526 2HB LEU 73 HB1 LEU 73 12.579 3.042 -2.750 527 HG LEU 73 HG LEU 73 13.615 5.822 -3.291 528 1HD1 LEU 73 HD11 LEU 73 14.049 5.866 -0.874 529 2HD1 LEU 73 HD12 LEU 73 13.238 4.309 -0.709 530 3HD1 LEU 73 HD13 LEU 73 12.326 5.725 -1.241 531 1HD2 LEU 73 HD21 LEU 73 15.745 4.957 -2.384 532 2HD2 LEU 73 HD22 LEU 73 15.264 4.142 -3.877 533 3HD2 LEU 73 HD23 LEU 73 15.040 3.336 -2.315 534 H GLU 74 HN GLU 74 13.067 1.110 -4.983 535 HA GLU 74 HA GLU 74 10.349 0.649 -5.973 536 1HB GLU 74 HB2 GLU 74 12.108 -0.336 -7.338 537 2HB GLU 74 HB1 GLU 74 12.771 -1.168 -5.932 538 1HG GLU 74 HG2 GLU 74 10.722 -2.492 -5.766 539 2HG GLU 74 HG1 GLU 74 10.060 -1.648 -7.165 540 H ILE 75 HN ILE 75 8.925 -0.622 -4.843 541 HA ILE 75 HA ILE 75 9.527 -0.976 -2.031 542 HB ILE 75 HB ILE 75 7.351 -0.119 -2.487 543 1HG1 ILE 75 HG12 ILE 75 7.122 -3.040 -1.705 544 2HG1 ILE 75 HG11 ILE 75 7.456 -1.693 -0.608 545 1HG2 ILE 75 HG21 ILE 75 6.947 -2.517 -4.268 546 2HG2 ILE 75 HG22 ILE 75 7.078 -0.824 -4.766 547 3HG2 ILE 75 HG23 ILE 75 5.685 -1.361 -3.835 548 1HD1 ILE 75 HD11 ILE 75 5.247 -0.774 -1.062 549 2HD1 ILE 75 HD12 ILE 75 5.134 -2.430 -0.477 550 3HD1 ILE 75 HD13 ILE 75 4.917 -2.088 -2.185 551 H LEU 76 HN LEU 76 10.325 -2.751 -1.192 552 HA LEU 76 HA LEU 76 10.033 -5.261 -2.721 553 1HB LEU 76 HB2 LEU 76 12.355 -4.089 -2.263 554 2HB LEU 76 HB1 LEU 76 12.175 -4.842 -0.687 555 HG LEU 76 HG LEU 76 12.105 -6.387 -3.274 556 1HD1 LEU 76 HD11 LEU 76 14.232 -5.234 -3.063 557 2HD1 LEU 76 HD12 LEU 76 14.413 -6.979 -2.841 558 3HD1 LEU 76 HD13 LEU 76 14.446 -5.905 -1.445 559 1HD2 LEU 76 HD21 LEU 76 12.568 -8.311 -1.854 560 2HD2 LEU 76 HD22 LEU 76 11.092 -7.503 -1.343 561 3HD2 LEU 76 HD23 LEU 76 12.571 -7.274 -0.434 562 H GLY 77 HN GLY 77 7.977 -5.522 -1.683 563 1HA GLY 77 HA2 GLY 77 7.960 -5.766 1.206 564 2HA GLY 77 HA1 GLY 77 6.562 -5.886 0.129 565 H PHE 78 HN PHE 78 7.057 -7.625 2.249 566 HA PHE 78 HA PHE 78 7.696 -10.124 0.842 567 1HB PHE 78 HB2 PHE 78 7.687 -9.510 3.804 568 2HB PHE 78 HB1 PHE 78 7.999 -11.101 3.118 569 HD1 PHE 78 HD1 PHE 78 9.315 -7.747 3.731 570 HD2 PHE 78 HD2 PHE 78 10.069 -11.516 1.914 571 HE1 PHE 78 HE1 PHE 78 11.702 -7.161 3.522 572 HE2 PHE 78 HE2 PHE 78 12.456 -10.942 1.691 573 HZ PHE 78 HZ PHE 78 13.260 -8.762 2.493 574 H GLU 79 HN GLU 79 5.243 -8.438 0.911 575 HA GLU 79 HA GLU 79 3.323 -10.004 2.422 576 1HB GLU 79 HB2 GLU 79 2.736 -7.699 0.596 577 2HB GLU 79 HB1 GLU 79 1.746 -8.296 1.934 578 1HG GLU 79 HG2 GLU 79 4.436 -6.969 2.196 579 2HG GLU 79 HG1 GLU 79 2.876 -6.190 2.441 580 H GLU 80 HN GLU 80 3.091 -11.919 1.481 581 HA GLU 80 HA GLU 80 2.350 -13.516 0.059 582 1HB GLU 80 HB2 GLU 80 0.986 -11.196 -1.319 583 2HB GLU 80 HB1 GLU 80 0.690 -12.901 -1.668 584 1HG GLU 80 HG2 GLU 80 -0.118 -13.241 0.574 585 2HG GLU 80 HG1 GLU 80 0.205 -11.553 0.984 Start of MODEL 14 1 H MET 4 HN MET 4 11.431 5.225 -18.871 2 HA MET 4 HA MET 4 12.683 6.856 -16.771 3 1HB MET 4 HB2 MET 4 12.362 8.115 -18.890 4 2HB MET 4 HB1 MET 4 10.643 7.769 -18.797 5 1HG MET 4 HG2 MET 4 10.763 9.913 -17.989 6 2HG MET 4 HG1 MET 4 10.747 8.957 -16.513 7 1HE MET 4 HE1 MET 4 12.796 8.698 -14.879 8 2HE MET 4 HE2 MET 4 14.442 9.204 -15.295 9 3HE MET 4 HE3 MET 4 13.670 7.884 -16.172 10 H ARG 5 HN ARG 5 11.661 6.866 -14.893 11 HA ARG 5 HA ARG 5 9.407 5.308 -14.343 12 1HB ARG 5 HB2 ARG 5 10.773 7.487 -12.748 13 2HB ARG 5 HB1 ARG 5 9.520 6.439 -12.098 14 1HG ARG 5 HG2 ARG 5 10.867 4.538 -12.220 15 2HG ARG 5 HG1 ARG 5 11.988 5.294 -13.368 16 1HD ARG 5 HD2 ARG 5 11.650 6.033 -10.463 17 2HD ARG 5 HD1 ARG 5 12.974 5.095 -11.160 18 HE ARG 5 HE ARG 5 12.471 7.967 -11.557 19 1HH1 ARG 5 HH11 ARG 5 14.548 5.163 -11.947 20 2HH1 ARG 5 HH12 ARG 5 15.963 6.091 -12.349 21 1HH2 ARG 5 HH21 ARG 5 14.302 9.198 -12.137 22 2HH2 ARG 5 HH22 ARG 5 15.810 8.393 -12.502 23 H SER 6 HN SER 6 9.738 8.651 -15.255 24 HA SER 6 HA SER 6 7.173 9.540 -14.477 25 1HB SER 6 HB2 SER 6 8.855 10.577 -16.770 26 2HB SER 6 HB1 SER 6 7.619 11.455 -15.861 27 HG SER 6 HG SER 6 9.130 11.972 -14.500 28 H GLU 7 HN GLU 7 7.870 7.165 -16.686 29 HA GLU 7 HA GLU 7 6.131 7.940 -18.853 30 1HB GLU 7 HB2 GLU 7 7.503 5.348 -18.116 31 2HB GLU 7 HB1 GLU 7 6.433 5.499 -19.508 32 1HG GLU 7 HG2 GLU 7 7.892 7.234 -20.432 33 2HG GLU 7 HG1 GLU 7 8.955 7.066 -19.033 34 H PHE 8 HN PHE 8 5.431 6.913 -15.764 35 HA PHE 8 HA PHE 8 3.253 5.173 -16.284 36 1HB PHE 8 HB2 PHE 8 4.095 6.790 -13.907 37 2HB PHE 8 HB1 PHE 8 2.518 5.994 -13.918 38 HD1 PHE 8 HD1 PHE 8 6.147 5.423 -14.095 39 HD2 PHE 8 HD2 PHE 8 2.324 3.676 -13.540 40 HE1 PHE 8 HE1 PHE 8 7.244 3.312 -13.394 41 HE2 PHE 8 HE2 PHE 8 3.383 1.574 -12.800 42 HZ PHE 8 HZ PHE 8 5.844 1.405 -12.734 43 H ALA 9 HN ALA 9 0.985 5.928 -15.327 44 HA ALA 9 HA ALA 9 -0.197 7.431 -17.316 45 1HB ALA 9 HB1 ALA 9 -2.187 7.496 -15.928 46 2HB ALA 9 HB2 ALA 9 -1.233 7.130 -14.510 47 3HB ALA 9 HB3 ALA 9 -1.402 5.923 -15.772 48 H SER 10 HN SER 10 0.720 8.573 -14.062 49 HA SER 10 HA SER 10 0.581 11.312 -15.175 50 1HB SER 10 HB2 SER 10 -0.047 10.406 -12.351 51 2HB SER 10 HB1 SER 10 -0.048 12.081 -12.913 52 HG SER 10 HG SER 10 -1.676 11.459 -14.430 53 H GLY 11 HN GLY 11 2.756 9.125 -14.588 54 1HA GLY 11 HA2 GLY 11 5.024 9.239 -14.158 55 2HA GLY 11 HA1 GLY 11 4.829 10.965 -13.875 56 H ASN 12 HN ASN 12 3.490 11.419 -11.799 57 HA ASN 12 HA ASN 12 4.831 10.581 -9.520 58 1HB ASN 12 HB2 ASN 12 3.115 11.705 -8.247 59 2HB ASN 12 HB1 ASN 12 3.446 12.651 -9.687 60 1HD2 ASN 12 HD21 ASN 12 1.176 10.744 -7.961 61 2HD2 ASN 12 HD22 ASN 12 -0.203 11.064 -8.962 62 H THR 13 HN THR 13 2.365 9.042 -11.303 63 HA THR 13 HA THR 13 0.962 7.511 -9.550 64 HB THR 13 HB THR 13 2.074 6.516 -12.176 65 HG1 THR 13 HG1 THR 13 -0.327 8.004 -11.738 66 1HG2 THR 13 HG21 THR 13 -0.543 5.889 -10.787 67 2HG2 THR 13 HG22 THR 13 0.874 4.842 -10.821 68 3HG2 THR 13 HG23 THR 13 0.024 5.214 -12.322 69 H TYR 14 HN TYR 14 4.276 7.018 -10.623 70 HA TYR 14 HA TYR 14 4.558 4.420 -9.540 71 1HB TYR 14 HB2 TYR 14 6.065 5.373 -11.303 72 2HB TYR 14 HB1 TYR 14 6.756 6.432 -10.080 73 HD1 TYR 14 HD1 TYR 14 8.812 5.726 -9.291 74 HD2 TYR 14 HD2 TYR 14 5.944 2.771 -10.349 75 HE1 TYR 14 HE1 TYR 14 10.410 3.989 -8.666 76 HE2 TYR 14 HE2 TYR 14 7.519 1.013 -9.702 77 HH TYR 14 HH TYR 14 9.918 0.688 -9.438 78 H ALA 15 HN ALA 15 5.728 7.595 -8.401 79 HA ALA 15 HA ALA 15 6.595 6.777 -5.901 80 1HB ALA 15 HB1 ALA 15 5.410 9.437 -6.667 81 2HB ALA 15 HB2 ALA 15 7.098 8.962 -6.835 82 3HB ALA 15 HB3 ALA 15 6.368 9.124 -5.231 83 H LEU 16 HN LEU 16 3.345 7.431 -7.007 84 HA LEU 16 HA LEU 16 2.172 7.417 -4.429 85 1HB LEU 16 HB2 LEU 16 1.072 8.441 -6.366 86 2HB LEU 16 HB1 LEU 16 0.932 6.861 -7.109 87 HG LEU 16 HG LEU 16 -0.541 6.124 -5.261 88 1HD1 LEU 16 HD11 LEU 16 -1.493 7.789 -3.758 89 2HD1 LEU 16 HD12 LEU 16 -0.400 9.007 -4.420 90 3HD1 LEU 16 HD13 LEU 16 0.249 7.632 -3.527 91 1HD2 LEU 16 HD21 LEU 16 -1.444 8.615 -6.706 92 2HD2 LEU 16 HD22 LEU 16 -2.496 7.394 -5.991 93 3HD2 LEU 16 HD23 LEU 16 -1.462 6.976 -7.362 94 H TYR 17 HN TYR 17 2.651 5.050 -6.979 95 HA TYR 17 HA TYR 17 1.355 2.893 -5.820 96 1HB TYR 17 HB2 TYR 17 2.058 3.012 -8.191 97 2HB TYR 17 HB1 TYR 17 3.753 2.906 -7.678 98 HD1 TYR 17 HD1 TYR 17 0.577 1.027 -7.928 99 HD2 TYR 17 HD2 TYR 17 4.734 0.796 -7.120 100 HE1 TYR 17 HE1 TYR 17 0.461 -1.420 -8.107 101 HE2 TYR 17 HE2 TYR 17 4.639 -1.663 -7.293 102 HH TYR 17 HH TYR 17 2.754 -3.451 -6.975 103 H VAL 18 HN VAL 18 4.735 3.912 -5.601 104 HA VAL 18 HA VAL 18 5.587 1.727 -4.055 105 HB VAL 18 HB VAL 18 7.532 2.984 -3.388 106 1HG1 VAL 18 HG11 VAL 18 6.782 3.395 -6.285 107 2HG1 VAL 18 HG12 VAL 18 7.506 1.950 -5.578 108 3HG1 VAL 18 HG13 VAL 18 8.423 3.451 -5.641 109 1HG2 VAL 18 HG21 VAL 18 7.899 5.300 -4.099 110 2HG2 VAL 18 HG22 VAL 18 6.523 5.162 -2.996 111 3HG2 VAL 18 HG23 VAL 18 6.232 5.358 -4.725 112 H ARG 19 HN ARG 19 4.345 4.889 -3.041 113 HA ARG 19 HA ARG 19 4.690 4.521 -0.296 114 1HB ARG 19 HB2 ARG 19 2.597 6.147 -1.757 115 2HB ARG 19 HB1 ARG 19 2.932 6.262 -0.028 116 1HG ARG 19 HG2 ARG 19 5.227 6.957 -0.536 117 2HG ARG 19 HG1 ARG 19 4.849 6.930 -2.265 118 1HD ARG 19 HD2 ARG 19 4.687 9.187 -1.506 119 2HD ARG 19 HD1 ARG 19 3.058 8.606 -1.824 120 HE ARG 19 HE ARG 19 3.522 8.140 0.852 121 1HH1 ARG 19 HH11 ARG 19 3.445 10.903 -1.276 122 2HH1 ARG 19 HH12 ARG 19 2.923 12.012 -0.043 123 1HH2 ARG 19 HH21 ARG 19 2.848 9.586 2.503 124 2HH2 ARG 19 HH22 ARG 19 2.617 11.267 2.119 125 H ASP 20 HN ASP 20 2.274 3.374 -2.480 126 HA ASP 20 HA ASP 20 0.219 2.798 -0.659 127 1HB ASP 20 HB2 ASP 20 -0.103 2.892 -3.078 128 2HB ASP 20 HB1 ASP 20 0.873 1.468 -3.298 129 H THR 21 HN THR 21 2.762 0.717 -2.020 130 HA THR 21 HA THR 21 1.939 -1.479 -0.290 131 HB THR 21 HB THR 21 4.180 -1.499 -2.308 132 HG1 THR 21 HG1 THR 21 1.460 -1.369 -2.696 133 1HG2 THR 21 HG21 THR 21 2.417 -3.702 -1.190 134 2HG2 THR 21 HG22 THR 21 4.096 -3.416 -0.739 135 3HG2 THR 21 HG23 THR 21 3.692 -3.912 -2.373 136 H LEU 22 HN LEU 22 4.610 0.760 -0.666 137 HA LEU 22 HA LEU 22 6.370 -0.741 1.034 138 1HB LEU 22 HB2 LEU 22 6.820 1.026 -0.917 139 2HB LEU 22 HB1 LEU 22 6.859 2.130 0.441 140 HG LEU 22 HG LEU 22 9.093 1.381 -0.193 141 1HD1 LEU 22 HD11 LEU 22 9.857 0.669 2.008 142 2HD1 LEU 22 HD12 LEU 22 8.185 0.351 2.465 143 3HD1 LEU 22 HD13 LEU 22 8.704 1.998 2.083 144 1HD2 LEU 22 HD21 LEU 22 8.172 -1.377 0.605 145 2HD2 LEU 22 HD22 LEU 22 9.802 -0.931 0.107 146 3HD2 LEU 22 HD23 LEU 22 8.468 -0.848 -1.047 147 H GLN 23 HN GLN 23 5.611 -0.948 3.039 148 HA GLN 23 HA GLN 23 4.836 1.429 4.547 149 1HB GLN 23 HB2 GLN 23 3.929 -0.151 6.145 150 2HB GLN 23 HB1 GLN 23 3.268 -0.439 4.547 151 1HG GLN 23 HG2 GLN 23 4.601 -2.375 4.247 152 2HG GLN 23 HG1 GLN 23 5.589 -1.979 5.656 153 1HE2 GLN 23 HE21 GLN 23 4.778 -2.318 7.709 154 2HE2 GLN 23 HE22 GLN 23 3.405 -3.358 7.991 155 HA PRO 24 HA PRO 24 8.397 1.411 7.269 156 1HB PRO 24 HB2 PRO 24 6.596 0.687 9.527 157 2HB PRO 24 HB1 PRO 24 7.763 2.011 9.404 158 1HG PRO 24 HG2 PRO 24 5.136 2.453 9.186 159 2HG PRO 24 HG1 PRO 24 6.300 3.353 8.193 160 1HD PRO 24 HD2 PRO 24 4.485 1.126 7.449 161 2HD PRO 24 HD1 PRO 24 5.019 2.506 6.483 162 H GLY 25 HN GLY 25 9.870 -0.168 7.467 163 1HA GLY 25 HA2 GLY 25 10.707 -2.202 8.340 164 2HA GLY 25 HA1 GLY 25 9.060 -2.780 8.514 165 H MET 26 HN MET 26 8.795 -1.543 5.645 166 HA MET 26 HA MET 26 9.181 -4.063 4.283 167 1HB MET 26 HB2 MET 26 7.244 -2.476 3.952 168 2HB MET 26 HB1 MET 26 8.346 -1.399 3.109 169 1HG MET 26 HG2 MET 26 7.087 -2.652 1.529 170 2HG MET 26 HG1 MET 26 8.775 -3.165 1.468 171 1HE MET 26 HE1 MET 26 5.126 -4.072 2.552 172 2HE MET 26 HE2 MET 26 5.978 -4.092 4.096 173 3HE MET 26 HE3 MET 26 5.354 -5.589 3.411 174 H ARG 27 HN ARG 27 10.686 -4.567 2.780 175 HA ARG 27 HA ARG 27 13.123 -3.021 2.792 176 1HB ARG 27 HB2 ARG 27 13.276 -5.402 3.002 177 2HB ARG 27 HB1 ARG 27 12.336 -5.644 1.533 178 1HG ARG 27 HG2 ARG 27 14.115 -4.787 0.181 179 2HG ARG 27 HG1 ARG 27 15.052 -4.355 1.607 180 1HD ARG 27 HD2 ARG 27 15.713 -6.476 0.432 181 2HD ARG 27 HD1 ARG 27 15.434 -6.582 2.171 182 HE ARG 27 HE ARG 27 13.383 -7.726 1.733 183 1HH1 ARG 27 HH11 ARG 27 15.309 -7.193 -1.151 184 2HH1 ARG 27 HH12 ARG 27 14.497 -8.423 -2.075 185 1HH2 ARG 27 HH21 ARG 27 12.336 -9.364 0.539 186 2HH2 ARG 27 HH22 ARG 27 12.827 -9.694 -1.086 187 H VAL 28 HN VAL 28 14.144 -2.021 1.076 188 HA VAL 28 HA VAL 28 12.486 -1.596 -1.327 189 HB VAL 28 HB VAL 28 13.243 0.723 -1.426 190 1HG1 VAL 28 HG11 VAL 28 12.099 0.058 1.288 191 2HG1 VAL 28 HG12 VAL 28 11.185 0.245 -0.199 192 3HG1 VAL 28 HG13 VAL 28 12.019 1.626 0.488 193 1HG2 VAL 28 HG21 VAL 28 15.418 0.477 -0.374 194 2HG2 VAL 28 HG22 VAL 28 14.661 0.128 1.167 195 3HG2 VAL 28 HG23 VAL 28 14.473 1.728 0.437 196 H ARG 29 HN ARG 29 13.669 -0.976 -3.251 197 HA ARG 29 HA ARG 29 16.569 -1.579 -3.163 198 1HB ARG 29 HB2 ARG 29 15.029 -3.278 -4.284 199 2HB ARG 29 HB1 ARG 29 14.803 -2.071 -5.541 200 1HG ARG 29 HG2 ARG 29 17.094 -2.167 -6.166 201 2HG ARG 29 HG1 ARG 29 17.507 -3.112 -4.735 202 1HD ARG 29 HD2 ARG 29 15.984 -4.916 -5.571 203 2HD ARG 29 HD1 ARG 29 15.797 -3.984 -7.067 204 HE ARG 29 HE ARG 29 18.271 -4.238 -7.336 205 1HH1 ARG 29 HH11 ARG 29 16.466 -6.508 -5.343 206 2HH1 ARG 29 HH12 ARG 29 17.538 -7.832 -5.653 207 1HH2 ARG 29 HH21 ARG 29 19.726 -5.987 -7.683 208 2HH2 ARG 29 HH22 ARG 29 19.387 -7.534 -6.977 209 H MET 30 HN MET 30 17.913 -0.108 -4.086 210 HA MET 30 HA MET 30 16.782 2.418 -4.860 211 1HB MET 30 HB2 MET 30 18.844 2.198 -3.462 212 2HB MET 30 HB1 MET 30 19.671 1.547 -4.869 213 1HG MET 30 HG2 MET 30 20.187 3.891 -4.549 214 2HG MET 30 HG1 MET 30 19.340 3.619 -6.071 215 1HE MET 30 HE1 MET 30 18.961 6.345 -6.077 216 2HE MET 30 HE2 MET 30 19.782 6.423 -4.520 217 3HE MET 30 HE3 MET 30 18.204 7.202 -4.738 218 H LEU 31 HN LEU 31 16.271 3.003 -6.864 219 HA LEU 31 HA LEU 31 16.981 1.280 -9.098 220 1HB LEU 31 HB2 LEU 31 15.254 3.744 -8.875 221 2HB LEU 31 HB1 LEU 31 15.566 2.925 -10.390 222 HG LEU 31 HG LEU 31 14.249 1.635 -8.016 223 1HD1 LEU 31 HD11 LEU 31 13.059 2.782 -10.540 224 2HD1 LEU 31 HD12 LEU 31 12.854 3.408 -8.908 225 3HD1 LEU 31 HD13 LEU 31 12.195 1.839 -9.316 226 1HD2 LEU 31 HD21 LEU 31 14.559 0.742 -10.887 227 2HD2 LEU 31 HD22 LEU 31 13.646 -0.092 -9.623 228 3HD2 LEU 31 HD23 LEU 31 15.397 0.074 -9.492 229 H ASP 32 HN ASP 32 18.261 4.188 -7.745 230 HA ASP 32 HA ASP 32 19.703 4.705 -10.241 231 1HB ASP 32 HB2 ASP 32 17.644 6.157 -10.051 232 2HB ASP 32 HB1 ASP 32 18.401 6.920 -8.652 233 H ASP 33 HN ASP 33 21.615 6.065 -9.966 234 HA ASP 33 HA ASP 33 22.838 5.678 -7.336 235 1HB ASP 33 HB2 ASP 33 24.132 5.081 -9.362 236 2HB ASP 33 HB1 ASP 33 24.013 6.745 -9.913 237 H TYR 34 HN TYR 34 23.200 7.302 -5.891 238 HA TYR 34 HA TYR 34 22.832 10.079 -6.699 239 1HB TYR 34 HB2 TYR 34 20.521 8.965 -6.396 240 2HB TYR 34 HB1 TYR 34 20.887 8.942 -4.672 241 HD1 TYR 34 HD1 TYR 34 20.872 11.345 -7.525 242 HD2 TYR 34 HD2 TYR 34 20.136 10.699 -3.399 243 HE1 TYR 34 HE1 TYR 34 19.978 13.619 -7.351 244 HE2 TYR 34 HE2 TYR 34 19.266 12.979 -3.199 245 HH TYR 34 HH TYR 34 18.462 14.883 -5.894 246 H GLU 35 HN GLU 35 24.845 10.548 -5.785 247 HA GLU 35 HA GLU 35 26.091 11.585 -4.234 248 1HB GLU 35 HB2 GLU 35 23.536 11.501 -2.653 249 2HB GLU 35 HB1 GLU 35 24.978 12.361 -2.140 250 1HG GLU 35 HG2 GLU 35 24.857 13.658 -4.282 251 2HG GLU 35 HG1 GLU 35 23.300 12.883 -4.575 252 H GLU 36 HN GLU 36 25.002 8.449 -3.543 253 HA GLU 36 HA GLU 36 27.164 7.812 -1.880 254 1HB GLU 36 HB2 GLU 36 25.909 9.230 -0.241 255 2HB GLU 36 HB1 GLU 36 24.536 8.144 -0.398 256 1HG GLU 36 HG2 GLU 36 25.754 7.660 1.614 257 2HG GLU 36 HG1 GLU 36 25.948 6.316 0.474 258 H ILE 37 HN ILE 37 23.819 7.190 -2.718 259 HA ILE 37 HA ILE 37 24.238 4.298 -2.369 260 HB ILE 37 HB ILE 37 21.630 5.712 -2.975 261 1HG1 ILE 37 HG12 ILE 37 22.494 6.542 -0.872 262 2HG1 ILE 37 HG11 ILE 37 21.132 5.477 -0.562 263 1HG2 ILE 37 HG21 ILE 37 21.643 3.339 -3.514 264 2HG2 ILE 37 HG22 ILE 37 20.619 3.655 -2.120 265 3HG2 ILE 37 HG23 ILE 37 22.217 2.953 -1.892 266 1HD1 ILE 37 HD11 ILE 37 24.031 4.756 -0.276 267 2HD1 ILE 37 HD12 ILE 37 22.665 3.693 0.046 268 3HD1 ILE 37 HD13 ILE 37 22.923 5.121 1.038 269 H SER 38 HN SER 38 23.683 2.836 -4.105 270 HA SER 38 HA SER 38 23.838 4.122 -6.752 271 1HB SER 38 HB2 SER 38 25.289 1.650 -5.810 272 2HB SER 38 HB1 SER 38 25.246 2.220 -7.495 273 HG SER 38 HG SER 38 26.187 4.218 -6.664 274 H ALA 39 HN ALA 39 23.041 2.761 -8.536 275 HA ALA 39 HA ALA 39 20.528 1.672 -8.003 276 1HB ALA 39 HB1 ALA 39 20.508 1.006 -10.338 277 2HB ALA 39 HB2 ALA 39 22.262 1.258 -10.439 278 3HB ALA 39 HB3 ALA 39 21.175 2.636 -10.165 279 H GLY 40 HN GLY 40 19.892 -0.296 -7.377 280 1HA GLY 40 HA2 GLY 40 20.044 -2.704 -7.525 281 2HA GLY 40 HA1 GLY 40 21.786 -2.528 -7.655 282 H ASP 41 HN ASP 41 21.513 -0.420 -5.430 283 HA ASP 41 HA ASP 41 22.168 -2.137 -3.294 284 1HB ASP 41 HB2 ASP 41 22.873 0.329 -3.668 285 2HB ASP 41 HB1 ASP 41 21.303 0.732 -2.945 286 H GLU 42 HN GLU 42 20.982 -2.737 -1.480 287 HA GLU 42 HA GLU 42 18.096 -2.190 -1.636 288 1HB GLU 42 HB2 GLU 42 19.548 -4.727 -0.895 289 2HB GLU 42 HB1 GLU 42 17.864 -4.432 -0.459 290 1HG GLU 42 HG2 GLU 42 17.294 -4.233 -2.812 291 2HG GLU 42 HG1 GLU 42 18.995 -4.461 -3.263 292 H GLY 43 HN GLY 43 16.981 -1.998 0.318 293 1HA GLY 43 HA2 GLY 43 18.418 -1.941 2.816 294 2HA GLY 43 HA1 GLY 43 17.993 -0.346 2.186 295 H GLU 44 HN GLU 44 16.830 -0.456 4.335 296 HA GLU 44 HA GLU 44 14.177 -1.644 3.913 297 1HB GLU 44 HB2 GLU 44 15.527 -2.755 5.692 298 2HB GLU 44 HB1 GLU 44 15.527 -1.235 6.596 299 1HG GLU 44 HG2 GLU 44 13.008 -1.362 6.521 300 2HG GLU 44 HG1 GLU 44 13.184 -3.011 5.907 301 H PHE 45 HN PHE 45 12.399 -0.370 4.573 302 HA PHE 45 HA PHE 45 12.981 2.477 4.759 303 1HB PHE 45 HB2 PHE 45 11.381 1.965 3.064 304 2HB PHE 45 HB1 PHE 45 10.475 0.917 4.149 305 HD1 PHE 45 HD1 PHE 45 11.397 4.464 3.544 306 HD2 PHE 45 HD2 PHE 45 8.712 1.744 5.413 307 HE1 PHE 45 HE1 PHE 45 9.898 6.325 4.104 308 HE2 PHE 45 HE2 PHE 45 7.206 3.607 5.977 309 HZ PHE 45 HZ PHE 45 7.798 5.895 5.323 310 H ARG 46 HN ARG 46 12.905 3.515 6.590 311 HA ARG 46 HA ARG 46 11.575 2.224 8.887 312 1HB ARG 46 HB2 ARG 46 13.767 4.311 8.846 313 2HB ARG 46 HB1 ARG 46 13.038 3.616 10.285 314 1HG ARG 46 HG2 ARG 46 13.834 1.391 9.599 315 2HG ARG 46 HG1 ARG 46 14.643 2.149 8.206 316 1HD ARG 46 HD2 ARG 46 16.269 1.854 9.944 317 2HD ARG 46 HD1 ARG 46 15.892 3.577 9.805 318 HE ARG 46 HE ARG 46 14.699 1.862 11.887 319 1HH1 ARG 46 HH11 ARG 46 16.347 4.765 10.857 320 2HH1 ARG 46 HH12 ARG 46 16.374 5.485 12.433 321 1HH2 ARG 46 HH21 ARG 46 14.764 2.775 14.001 322 2HH2 ARG 46 HH22 ARG 46 15.430 4.367 14.212 323 H GLN 47 HN GLN 47 12.122 5.499 7.523 324 HA GLN 47 HA GLN 47 9.516 6.308 8.512 325 1HB GLN 47 HB2 GLN 47 10.979 6.673 10.437 326 2HB GLN 47 HB1 GLN 47 12.089 7.611 9.452 327 1HG GLN 47 HG2 GLN 47 10.374 9.316 9.142 328 2HG GLN 47 HG1 GLN 47 9.235 8.372 10.085 329 1HE2 GLN 47 HE21 GLN 47 12.620 8.596 10.855 330 2HE2 GLN 47 HE22 GLN 47 12.421 9.533 12.304 331 H SER 48 HN SER 48 8.707 8.160 7.488 332 HA SER 48 HA SER 48 10.433 9.453 5.499 333 1HB SER 48 HB2 SER 48 8.523 9.291 3.843 334 2HB SER 48 HB1 SER 48 9.303 7.756 4.252 335 HG SER 48 HG SER 48 7.415 7.980 6.020 336 H ASN 49 HN ASN 49 9.313 11.419 4.542 337 HA ASN 49 HA ASN 49 7.757 12.773 6.593 338 1HB ASN 49 HB2 ASN 49 8.938 13.730 3.985 339 2HB ASN 49 HB1 ASN 49 7.895 14.758 5.005 340 1HD2 ASN 49 HD21 ASN 49 8.943 13.713 7.485 341 2HD2 ASN 49 HD22 ASN 49 10.560 14.306 7.668 342 H ASN 50 HN ASN 50 5.683 13.649 6.184 343 HA ASN 50 HA ASN 50 4.114 11.603 4.995 344 1HB ASN 50 HB2 ASN 50 3.462 14.083 6.532 345 2HB ASN 50 HB1 ASN 50 2.182 13.158 5.777 346 1HD2 ASN 50 HD21 ASN 50 1.586 11.219 6.606 347 2HD2 ASN 50 HD22 ASN 50 2.187 10.593 8.111 348 H GLY 51 HN GLY 51 5.237 14.634 3.662 349 1HA GLY 51 HA2 GLY 51 3.355 14.250 1.478 350 2HA GLY 51 HA1 GLY 51 3.291 15.769 2.326 351 H VAL 52 HN VAL 52 6.480 14.721 2.295 352 HA VAL 52 HA VAL 52 6.962 16.134 -0.265 353 HB VAL 52 HB VAL 52 9.087 17.029 0.734 354 1HG1 VAL 52 HG11 VAL 52 7.156 18.464 0.468 355 2HG1 VAL 52 HG12 VAL 52 7.997 18.853 1.970 356 3HG1 VAL 52 HG13 VAL 52 6.502 17.911 2.013 357 1HG2 VAL 52 HG21 VAL 52 9.278 17.145 3.169 358 2HG2 VAL 52 HG22 VAL 52 9.286 15.472 2.613 359 3HG2 VAL 52 HG23 VAL 52 7.833 16.151 3.331 360 HA PRO 53 HA PRO 53 9.533 12.939 -1.826 361 1HB PRO 53 HB2 PRO 53 11.872 14.757 -1.881 362 2HB PRO 53 HB1 PRO 53 11.133 13.817 -3.181 363 1HG PRO 53 HG2 PRO 53 10.770 16.460 -2.991 364 2HG PRO 53 HG1 PRO 53 9.482 15.387 -3.580 365 1HD PRO 53 HD2 PRO 53 9.774 16.761 -0.952 366 2HD PRO 53 HD1 PRO 53 8.298 16.353 -1.862 367 HA PRO 54 HA PRO 54 13.514 12.990 1.157 368 1HB PRO 54 HB2 PRO 54 12.067 14.250 3.454 369 2HB PRO 54 HB1 PRO 54 13.789 14.301 3.021 370 1HG PRO 54 HG2 PRO 54 12.176 16.374 2.506 371 2HG PRO 54 HG1 PRO 54 13.475 15.911 1.380 372 1HD PRO 54 HD2 PRO 54 10.540 15.542 1.149 373 2HD PRO 54 HD1 PRO 54 11.760 15.758 -0.117 374 H VAL 55 HN VAL 55 13.501 10.899 1.523 375 HA VAL 55 HA VAL 55 11.658 9.801 3.515 376 HB VAL 55 HB VAL 55 10.826 9.078 1.375 377 1HG1 VAL 55 HG11 VAL 55 12.815 9.384 0.007 378 2HG1 VAL 55 HG12 VAL 55 12.161 7.763 -0.199 379 3HG1 VAL 55 HG13 VAL 55 13.589 8.018 0.817 380 1HG2 VAL 55 HG21 VAL 55 12.318 6.854 2.748 381 2HG2 VAL 55 HG22 VAL 55 10.993 6.638 1.602 382 3HG2 VAL 55 HG23 VAL 55 10.700 7.439 3.146 383 H GLN 56 HN GLN 56 12.591 8.435 4.981 384 HA GLN 56 HA GLN 56 15.515 8.427 4.928 385 1HB GLN 56 HB2 GLN 56 14.501 9.510 6.868 386 2HB GLN 56 HB1 GLN 56 13.601 8.043 7.229 387 1HG GLN 56 HG2 GLN 56 15.456 8.227 8.732 388 2HG GLN 56 HG1 GLN 56 15.728 6.862 7.649 389 1HE2 GLN 56 HE21 GLN 56 17.561 8.569 9.239 390 2HE2 GLN 56 HE22 GLN 56 18.740 9.168 8.119 391 H VAL 57 HN VAL 57 16.415 6.641 4.216 392 HA VAL 57 HA VAL 57 15.057 4.067 4.796 393 HB VAL 57 HB VAL 57 16.645 4.799 2.311 394 1HG1 VAL 57 HG11 VAL 57 15.270 2.235 3.064 395 2HG1 VAL 57 HG12 VAL 57 17.011 2.494 2.924 396 3HG1 VAL 57 HG13 VAL 57 15.976 2.592 1.499 397 1HG2 VAL 57 HG21 VAL 57 14.558 4.555 1.101 398 2HG2 VAL 57 HG22 VAL 57 14.412 5.806 2.344 399 3HG2 VAL 57 HG23 VAL 57 13.711 4.208 2.605 400 H PHE 58 HN PHE 58 16.309 2.497 5.648 401 HA PHE 58 HA PHE 58 19.098 3.084 6.197 402 1HB PHE 58 HB2 PHE 58 17.894 2.183 8.081 403 2HB PHE 58 HB1 PHE 58 17.256 0.865 7.108 404 HD1 PHE 58 HD1 PHE 58 18.212 -1.185 7.323 405 HD2 PHE 58 HD2 PHE 58 20.567 2.273 8.096 406 HE1 PHE 58 HE1 PHE 58 20.098 -2.616 7.970 407 HE2 PHE 58 HE2 PHE 58 22.466 0.830 8.754 408 HZ PHE 58 HZ PHE 58 22.205 -1.610 8.703 409 H TRP 59 HN TRP 59 20.548 2.525 4.752 410 HA TRP 59 HA TRP 59 19.875 0.435 2.822 411 1HB TRP 59 HB2 TRP 59 22.074 2.524 2.776 412 2HB TRP 59 HB1 TRP 59 21.804 1.308 1.523 413 HD1 TRP 59 HD1 TRP 59 20.591 4.666 2.682 414 HE1 TRP 59 HE1 TRP 59 18.742 5.488 1.105 415 HE3 TRP 59 HE3 TRP 59 19.792 0.379 0.025 416 HZ2 TRP 59 HZ2 TRP 59 17.160 4.477 -0.973 417 HZ3 TRP 59 HZ3 TRP 59 18.067 0.381 -1.730 418 HH2 TRP 59 HH2 TRP 59 16.781 2.393 -2.226 419 H GLU 60 HN GLU 60 20.669 -1.520 3.046 420 HA GLU 60 HA GLU 60 22.251 -2.088 5.320 421 1HB GLU 60 HB2 GLU 60 21.200 -3.959 3.219 422 2HB GLU 60 HB1 GLU 60 21.801 -4.411 4.814 423 1HG GLU 60 HG2 GLU 60 19.954 -3.291 5.895 424 2HG GLU 60 HG1 GLU 60 19.412 -2.652 4.343 425 H SER 61 HN SER 61 22.693 -2.132 1.883 426 HA SER 61 HA SER 61 25.023 -3.688 1.811 427 1HB SER 61 HB2 SER 61 24.496 -1.589 -0.240 428 2HB SER 61 HB1 SER 61 25.019 -3.267 -0.464 429 HG SER 61 HG SER 61 22.490 -2.215 -0.343 430 H THR 62 HN THR 62 24.500 -0.235 2.213 431 HA THR 62 HA THR 62 27.365 0.250 2.298 432 HB THR 62 HB THR 62 26.499 2.650 2.758 433 HG1 THR 62 HG1 THR 62 24.183 2.131 1.418 434 1HG2 THR 62 HG21 THR 62 27.480 1.900 0.620 435 2HG2 THR 62 HG22 THR 62 26.192 3.079 0.404 436 3HG2 THR 62 HG23 THR 62 25.873 1.373 0.087 437 H GLY 63 HN GLY 63 24.495 0.582 4.342 438 1HA GLY 63 HA2 GLY 63 24.474 -0.205 6.602 439 2HA GLY 63 HA1 GLY 63 26.202 0.157 6.716 440 H ARG 64 HN ARG 64 24.096 2.451 5.193 441 HA ARG 64 HA ARG 64 24.148 4.105 7.601 442 1HB ARG 64 HB2 ARG 64 24.856 4.987 4.801 443 2HB ARG 64 HB1 ARG 64 24.573 6.087 6.135 444 1HG ARG 64 HG2 ARG 64 26.477 5.138 7.325 445 2HG ARG 64 HG1 ARG 64 26.736 4.015 5.990 446 1HD ARG 64 HD2 ARG 64 27.143 5.884 4.483 447 2HD ARG 64 HD1 ARG 64 26.842 7.030 5.792 448 HE ARG 64 HE ARG 64 28.926 5.160 6.410 449 1HH1 ARG 64 HH11 ARG 64 28.233 8.143 4.689 450 2HH1 ARG 64 HH12 ARG 64 29.871 8.725 4.783 451 1HH2 ARG 64 HH21 ARG 64 31.048 5.927 6.554 452 2HH2 ARG 64 HH22 ARG 64 31.474 7.464 5.857 453 H THR 65 HN THR 65 22.405 5.449 7.897 454 HA THR 65 HA THR 65 20.064 5.009 6.303 455 HB THR 65 HB THR 65 19.151 6.883 7.814 456 HG1 THR 65 HG1 THR 65 20.757 7.883 8.797 457 1HG2 THR 65 HG21 THR 65 18.936 5.370 9.734 458 2HG2 THR 65 HG22 THR 65 20.248 4.375 9.101 459 3HG2 THR 65 HG23 THR 65 18.728 4.508 8.214 460 H TYR 66 HN TYR 66 19.144 6.405 4.828 461 HA TYR 66 HA TYR 66 20.549 8.903 4.221 462 1HB TYR 66 HB2 TYR 66 21.739 7.153 2.952 463 2HB TYR 66 HB1 TYR 66 20.232 6.657 2.197 464 HD1 TYR 66 HD1 TYR 66 19.509 7.696 0.230 465 HD2 TYR 66 HD2 TYR 66 22.597 9.529 2.507 466 HE1 TYR 66 HE1 TYR 66 19.895 9.309 -1.578 467 HE2 TYR 66 HE2 TYR 66 22.963 11.156 0.696 468 HH TYR 66 HH TYR 66 22.606 11.209 -1.812 469 H TRP 67 HN TRP 67 19.294 10.426 3.231 470 HA TRP 67 HA TRP 67 16.449 9.810 3.052 471 1HB TRP 67 HB2 TRP 67 17.937 12.438 2.858 472 2HB TRP 67 HB1 TRP 67 16.178 12.264 2.717 473 HD1 TRP 67 HD1 TRP 67 14.831 11.641 4.946 474 HE1 TRP 67 HE1 TRP 67 15.397 11.965 7.447 475 HE3 TRP 67 HE3 TRP 67 19.856 12.441 4.520 476 HZ2 TRP 67 HZ2 TRP 67 17.700 12.498 9.004 477 HZ3 TRP 67 HZ3 TRP 67 21.169 12.868 6.545 478 HH2 TRP 67 HH2 TRP 67 20.115 12.901 8.753 479 H VAL 68 HN VAL 68 15.655 9.109 1.189 480 HA VAL 68 HA VAL 68 17.029 9.783 -1.294 481 HB VAL 68 HB VAL 68 14.955 7.639 -1.133 482 1HG1 VAL 68 HG11 VAL 68 17.601 7.852 -2.540 483 2HG1 VAL 68 HG12 VAL 68 16.015 8.121 -3.263 484 3HG1 VAL 68 HG13 VAL 68 16.470 6.511 -2.712 485 1HG2 VAL 68 HG21 VAL 68 16.310 7.294 0.899 486 2HG2 VAL 68 HG22 VAL 68 17.757 7.215 -0.109 487 3HG2 VAL 68 HG23 VAL 68 16.504 5.994 -0.283 488 H HIS 69 HN HIS 69 14.476 8.730 -2.596 489 HA HIS 69 HA HIS 69 12.800 11.025 -2.335 490 1HB HIS 69 HB2 HIS 69 14.302 10.481 -4.911 491 2HB HIS 69 HB1 HIS 69 12.804 11.409 -4.871 492 HD1 HIS 69 HD1 HIS 69 13.040 13.854 -4.480 493 HD2 HIS 69 HD2 HIS 69 16.464 11.730 -3.439 494 HE1 HIS 69 HE1 HIS 69 14.768 15.594 -3.891 495 HE2 HIS 69 HE2 HIS 69 16.771 14.281 -3.088 496 H TRP 70 HN TRP 70 10.729 10.257 -2.687 497 HA TRP 70 HA TRP 70 10.110 7.660 -2.600 498 1HB TRP 70 HB2 TRP 70 8.481 9.797 -3.943 499 2HB TRP 70 HB1 TRP 70 7.860 8.233 -3.490 500 HD1 TRP 70 HD1 TRP 70 8.581 11.640 -2.097 501 HE1 TRP 70 HE1 TRP 70 7.965 11.699 0.422 502 HE3 TRP 70 HE3 TRP 70 7.821 6.632 -1.320 503 HZ2 TRP 70 HZ2 TRP 70 7.231 9.872 2.411 504 HZ3 TRP 70 HZ3 TRP 70 7.157 5.888 0.918 505 HH2 TRP 70 HH2 TRP 70 6.868 7.473 2.758 506 H HIS 71 HN HIS 71 10.215 9.435 -5.686 507 HA HIS 71 HA HIS 71 9.506 7.050 -7.123 508 1HB HIS 71 HB2 HIS 71 9.893 8.405 -9.192 509 2HB HIS 71 HB1 HIS 71 8.747 9.105 -8.046 510 HD1 HIS 71 HD1 HIS 71 8.961 11.511 -8.382 511 HD2 HIS 71 HD2 HIS 71 12.671 9.659 -8.152 512 HE1 HIS 71 HE1 HIS 71 10.650 13.372 -8.398 513 HE2 HIS 71 HE2 HIS 71 12.888 12.237 -8.074 514 H MET 72 HN MET 72 12.416 7.742 -5.736 515 HA MET 72 HA MET 72 13.990 6.628 -7.954 516 1HB MET 72 HB2 MET 72 14.988 7.396 -5.208 517 2HB MET 72 HB1 MET 72 15.943 7.145 -6.659 518 1HG MET 72 HG2 MET 72 14.771 9.084 -7.675 519 2HG MET 72 HG1 MET 72 14.053 9.406 -6.106 520 1HE MET 72 HE1 MET 72 17.704 8.207 -7.090 521 2HE MET 72 HE2 MET 72 18.528 9.761 -7.102 522 3HE MET 72 HE3 MET 72 17.262 9.433 -8.262 523 H LEU 73 HN LEU 73 12.118 5.537 -5.451 524 HA LEU 73 HA LEU 73 13.856 3.279 -4.791 525 1HB LEU 73 HB2 LEU 73 11.335 4.279 -3.465 526 2HB LEU 73 HB1 LEU 73 12.284 2.908 -2.920 527 HG LEU 73 HG LEU 73 13.234 5.772 -3.016 528 1HD1 LEU 73 HD11 LEU 73 11.571 5.421 -1.274 529 2HD1 LEU 73 HD12 LEU 73 13.181 5.617 -0.581 530 3HD1 LEU 73 HD13 LEU 73 12.473 4.009 -0.694 531 1HD2 LEU 73 HD21 LEU 73 15.052 4.193 -3.408 532 2HD2 LEU 73 HD22 LEU 73 14.578 3.281 -1.975 533 3HD2 LEU 73 HD23 LEU 73 15.192 4.926 -1.809 534 H GLU 74 HN GLU 74 13.376 1.250 -5.338 535 HA GLU 74 HA GLU 74 10.780 0.744 -6.629 536 1HB GLU 74 HB2 GLU 74 12.735 0.221 -8.037 537 2HB GLU 74 HB1 GLU 74 13.370 -0.839 -6.790 538 1HG GLU 74 HG2 GLU 74 11.523 -2.360 -7.069 539 2HG GLU 74 HG1 GLU 74 10.756 -1.261 -8.224 540 H ILE 75 HN ILE 75 9.495 -0.900 -5.834 541 HA ILE 75 HA ILE 75 10.160 -1.634 -3.096 542 HB ILE 75 HB ILE 75 7.785 -1.985 -2.710 543 1HG1 ILE 75 HG12 ILE 75 7.370 -1.153 -5.593 544 2HG1 ILE 75 HG11 ILE 75 7.218 -2.798 -4.994 545 1HG2 ILE 75 HG21 ILE 75 8.278 0.617 -4.130 546 2HG2 ILE 75 HG22 ILE 75 8.725 0.269 -2.473 547 3HG2 ILE 75 HG23 ILE 75 7.017 0.298 -2.934 548 1HD1 ILE 75 HD11 ILE 75 5.532 -0.448 -4.164 549 2HD1 ILE 75 HD12 ILE 75 5.369 -2.111 -3.584 550 3HD1 ILE 75 HD13 ILE 75 5.047 -1.739 -5.277 551 H LEU 76 HN LEU 76 10.593 -3.677 -2.532 552 HA LEU 76 HA LEU 76 10.039 -5.816 -4.452 553 1HB LEU 76 HB2 LEU 76 11.591 -5.886 -1.851 554 2HB LEU 76 HB1 LEU 76 11.347 -7.262 -2.890 555 HG LEU 76 HG LEU 76 13.515 -6.584 -3.363 556 1HD1 LEU 76 HD11 LEU 76 12.276 -6.966 -5.394 557 2HD1 LEU 76 HD12 LEU 76 13.477 -5.702 -5.646 558 3HD1 LEU 76 HD13 LEU 76 11.772 -5.277 -5.439 559 1HD2 LEU 76 HD21 LEU 76 12.503 -3.746 -3.444 560 2HD2 LEU 76 HD22 LEU 76 14.146 -4.263 -3.819 561 3HD2 LEU 76 HD23 LEU 76 13.505 -4.474 -2.194 562 H GLY 77 HN GLY 77 9.931 -5.703 -0.916 563 1HA GLY 77 HA2 GLY 77 7.717 -5.785 0.209 564 2HA GLY 77 HA1 GLY 77 7.247 -6.920 -1.050 565 H PHE 78 HN PHE 78 8.242 -6.690 2.069 566 HA PHE 78 HA PHE 78 9.971 -8.872 2.373 567 1HB PHE 78 HB2 PHE 78 9.510 -7.119 4.098 568 2HB PHE 78 HB1 PHE 78 7.930 -7.858 4.348 569 HD1 PHE 78 HD1 PHE 78 11.558 -8.254 4.829 570 HD2 PHE 78 HD2 PHE 78 7.691 -9.902 5.577 571 HE1 PHE 78 HE1 PHE 78 12.525 -9.777 6.489 572 HE2 PHE 78 HE2 PHE 78 8.670 -11.414 7.258 573 HZ PHE 78 HZ PHE 78 11.081 -11.357 7.716 574 H GLU 79 HN GLU 79 6.534 -8.600 2.054 575 HA GLU 79 HA GLU 79 6.161 -11.457 2.558 576 1HB GLU 79 HB2 GLU 79 4.134 -9.278 1.992 577 2HB GLU 79 HB1 GLU 79 3.757 -10.943 2.444 578 1HG GLU 79 HG2 GLU 79 4.885 -10.564 4.607 579 2HG GLU 79 HG1 GLU 79 5.201 -8.900 4.148 580 H GLU 80 HN GLU 80 7.095 -9.622 0.028 581 HA GLU 80 HA GLU 80 5.365 -10.755 -2.015 582 1HB GLU 80 HB2 GLU 80 6.503 -8.417 -2.005 583 2HB GLU 80 HB1 GLU 80 7.914 -9.268 -2.569 584 1HG GLU 80 HG2 GLU 80 5.243 -9.405 -3.948 585 2HG GLU 80 HG1 GLU 80 6.466 -8.182 -4.306 Start of MODEL 15 1 H MET 4 HN MET 4 3.888 0.861 -17.015 2 HA MET 4 HA MET 4 6.374 0.820 -15.583 3 1HB MET 4 HB2 MET 4 5.396 2.410 -17.935 4 2HB MET 4 HB1 MET 4 6.923 2.814 -17.144 5 1HG MET 4 HG2 MET 4 7.523 1.438 -18.927 6 2HG MET 4 HG1 MET 4 7.541 0.368 -17.518 7 1HE MET 4 HE1 MET 4 5.760 1.351 -20.863 8 2HE MET 4 HE2 MET 4 4.555 1.766 -19.647 9 3HE MET 4 HE3 MET 4 4.257 0.429 -20.737 10 H ARG 5 HN ARG 5 7.324 2.457 -14.419 11 HA ARG 5 HA ARG 5 5.706 3.868 -12.650 12 1HB ARG 5 HB2 ARG 5 7.761 5.087 -11.996 13 2HB ARG 5 HB1 ARG 5 7.979 3.348 -12.025 14 1HG ARG 5 HG2 ARG 5 8.779 4.978 -14.391 15 2HG ARG 5 HG1 ARG 5 9.823 4.923 -12.967 16 1HD ARG 5 HD2 ARG 5 9.890 2.468 -13.133 17 2HD ARG 5 HD1 ARG 5 8.861 2.548 -14.561 18 HE ARG 5 HE ARG 5 11.401 4.000 -14.634 19 1HH1 ARG 5 HH11 ARG 5 9.489 1.231 -15.622 20 2HH1 ARG 5 HH12 ARG 5 10.578 0.768 -16.907 21 1HH2 ARG 5 HH21 ARG 5 12.828 3.394 -16.321 22 2HH2 ARG 5 HH22 ARG 5 12.457 2.015 -17.321 23 H SER 6 HN SER 6 7.317 4.968 -15.618 24 HA SER 6 HA SER 6 6.100 7.606 -15.288 25 1HB SER 6 HB2 SER 6 8.032 6.502 -17.312 26 2HB SER 6 HB1 SER 6 7.377 8.133 -17.394 27 HG SER 6 HG SER 6 8.443 8.671 -15.569 28 H GLU 7 HN GLU 7 4.832 4.835 -16.186 29 HA GLU 7 HA GLU 7 3.562 5.630 -18.651 30 1HB GLU 7 HB2 GLU 7 3.883 3.232 -18.038 31 2HB GLU 7 HB1 GLU 7 2.749 3.442 -16.720 32 1HG GLU 7 HG2 GLU 7 1.017 4.046 -18.378 33 2HG GLU 7 HG1 GLU 7 2.149 3.659 -19.667 34 H PHE 8 HN PHE 8 3.109 6.051 -15.282 35 HA PHE 8 HA PHE 8 0.376 6.781 -15.219 36 1HB PHE 8 HB2 PHE 8 2.742 7.502 -13.481 37 2HB PHE 8 HB1 PHE 8 1.096 8.051 -13.134 38 HD1 PHE 8 HD1 PHE 8 3.162 4.961 -13.566 39 HD2 PHE 8 HD2 PHE 8 -0.387 6.688 -11.976 40 HE1 PHE 8 HE1 PHE 8 2.686 2.882 -12.371 41 HE2 PHE 8 HE2 PHE 8 -0.861 4.601 -10.753 42 HZ PHE 8 HZ PHE 8 0.681 2.692 -10.958 43 H ALA 9 HN ALA 9 -0.074 9.184 -14.332 44 HA ALA 9 HA ALA 9 -0.027 10.836 -16.542 45 1HB ALA 9 HB1 ALA 9 -0.316 11.659 -13.661 46 2HB ALA 9 HB2 ALA 9 -1.604 11.055 -14.708 47 3HB ALA 9 HB3 ALA 9 -0.826 12.593 -15.072 48 H SER 10 HN SER 10 2.107 10.979 -13.729 49 HA SER 10 HA SER 10 3.913 12.701 -15.297 50 1HB SER 10 HB2 SER 10 2.682 14.001 -13.594 51 2HB SER 10 HB1 SER 10 3.317 12.945 -12.334 52 HG SER 10 HG SER 10 5.408 13.773 -13.681 53 H GLY 11 HN GLY 11 3.624 9.730 -13.940 54 1HA GLY 11 HA2 GLY 11 5.308 8.115 -13.639 55 2HA GLY 11 HA1 GLY 11 6.505 9.407 -13.720 56 H ASN 12 HN ASN 12 5.733 11.109 -11.804 57 HA ASN 12 HA ASN 12 6.593 10.066 -9.374 58 1HB ASN 12 HB2 ASN 12 4.981 12.503 -10.078 59 2HB ASN 12 HB1 ASN 12 5.352 12.119 -8.407 60 1HD2 ASN 12 HD21 ASN 12 6.195 14.366 -10.087 61 2HD2 ASN 12 HD22 ASN 12 7.925 14.371 -10.048 62 H THR 13 HN THR 13 3.457 9.952 -10.864 63 HA THR 13 HA THR 13 1.824 9.577 -8.649 64 HB THR 13 HB THR 13 1.265 8.063 -11.141 65 HG1 THR 13 HG1 THR 13 1.547 10.913 -11.016 66 1HG2 THR 13 HG21 THR 13 -0.431 8.254 -9.408 67 2HG2 THR 13 HG22 THR 13 -0.937 9.123 -10.852 68 3HG2 THR 13 HG23 THR 13 -0.314 10.010 -9.462 69 H TYR 14 HN TYR 14 3.930 7.365 -10.386 70 HA TYR 14 HA TYR 14 2.952 4.982 -9.205 71 1HB TYR 14 HB2 TYR 14 4.290 4.995 -11.283 72 2HB TYR 14 HB1 TYR 14 5.697 5.525 -10.371 73 HD1 TYR 14 HD1 TYR 14 3.242 2.733 -10.603 74 HD2 TYR 14 HD2 TYR 14 7.155 3.956 -9.454 75 HE1 TYR 14 HE1 TYR 14 3.849 0.387 -10.240 76 HE2 TYR 14 HE2 TYR 14 7.776 1.599 -9.055 77 HH TYR 14 HH TYR 14 6.739 -0.557 -8.629 78 H ALA 15 HN ALA 15 5.456 7.322 -8.433 79 HA ALA 15 HA ALA 15 6.639 6.029 -6.275 80 1HB ALA 15 HB1 ALA 15 6.318 8.980 -6.822 81 2HB ALA 15 HB2 ALA 15 7.642 7.939 -7.350 82 3HB ALA 15 HB3 ALA 15 7.423 8.277 -5.641 83 H LEU 16 HN LEU 16 3.764 8.107 -6.443 84 HA LEU 16 HA LEU 16 3.482 8.210 -3.607 85 1HB LEU 16 HB2 LEU 16 1.475 9.432 -3.959 86 2HB LEU 16 HB1 LEU 16 2.654 10.013 -5.095 87 HG LEU 16 HG LEU 16 1.455 8.405 -6.764 88 1HD1 LEU 16 HD11 LEU 16 0.022 7.317 -5.116 89 2HD1 LEU 16 HD12 LEU 16 -0.930 8.187 -6.325 90 3HD1 LEU 16 HD13 LEU 16 -0.704 8.863 -4.718 91 1HD2 LEU 16 HD21 LEU 16 -0.056 10.239 -7.354 92 2HD2 LEU 16 HD22 LEU 16 1.562 10.810 -6.954 93 3HD2 LEU 16 HD23 LEU 16 0.256 10.985 -5.784 94 H TYR 17 HN TYR 17 2.406 6.201 -6.156 95 HA TYR 17 HA TYR 17 0.423 4.747 -4.808 96 1HB TYR 17 HB2 TYR 17 0.597 4.591 -7.210 97 2HB TYR 17 HB1 TYR 17 2.230 3.942 -7.093 98 HD1 TYR 17 HD1 TYR 17 2.631 1.616 -6.714 99 HD2 TYR 17 HD2 TYR 17 -1.327 3.170 -6.545 100 HE1 TYR 17 HE1 TYR 17 1.744 -0.667 -6.723 101 HE2 TYR 17 HE2 TYR 17 -2.217 0.867 -6.521 102 HH TYR 17 HH TYR 17 -0.365 -1.827 -5.921 103 H VAL 18 HN VAL 18 3.848 4.011 -5.341 104 HA VAL 18 HA VAL 18 3.846 1.741 -3.658 105 HB VAL 18 HB VAL 18 6.260 1.766 -3.810 106 1HG1 VAL 18 HG11 VAL 18 5.015 0.801 -5.633 107 2HG1 VAL 18 HG12 VAL 18 6.472 1.577 -6.252 108 3HG1 VAL 18 HG13 VAL 18 4.899 2.374 -6.422 109 1HG2 VAL 18 HG21 VAL 18 5.940 4.410 -5.190 110 2HG2 VAL 18 HG22 VAL 18 7.436 3.477 -5.129 111 3HG2 VAL 18 HG23 VAL 18 6.726 4.130 -3.634 112 H ARG 19 HN ARG 19 4.567 5.148 -3.133 113 HA ARG 19 HA ARG 19 5.663 5.169 -0.641 114 1HB ARG 19 HB2 ARG 19 5.202 7.194 -1.885 115 2HB ARG 19 HB1 ARG 19 3.462 6.965 -1.705 116 1HG ARG 19 HG2 ARG 19 3.959 7.084 0.828 117 2HG ARG 19 HG1 ARG 19 5.488 7.813 0.336 118 1HD ARG 19 HD2 ARG 19 3.856 9.550 0.752 119 2HD ARG 19 HD1 ARG 19 4.237 9.490 -0.965 120 HE ARG 19 HE ARG 19 1.915 7.955 -0.158 121 1HH1 ARG 19 HH11 ARG 19 3.098 11.046 -1.298 122 2HH1 ARG 19 HH12 ARG 19 1.549 11.550 -1.925 123 1HH2 ARG 19 HH21 ARG 19 -0.104 8.585 -1.063 124 2HH2 ARG 19 HH22 ARG 19 -0.249 10.165 -1.794 125 H ASP 20 HN ASP 20 2.193 5.030 -1.331 126 HA ASP 20 HA ASP 20 1.502 4.872 1.440 127 1HB ASP 20 HB2 ASP 20 -0.191 4.580 -1.051 128 2HB ASP 20 HB1 ASP 20 -0.831 4.568 0.596 129 H THR 21 HN THR 21 2.553 2.601 -0.793 130 HA THR 21 HA THR 21 1.115 0.385 0.463 131 HB THR 21 HB THR 21 2.959 0.262 -1.920 132 HG1 THR 21 HG1 THR 21 1.332 1.563 -2.605 133 1HG2 THR 21 HG21 THR 21 0.761 -1.589 -0.988 134 2HG2 THR 21 HG22 THR 21 2.498 -1.883 -0.831 135 3HG2 THR 21 HG23 THR 21 1.757 -1.813 -2.432 136 H LEU 22 HN LEU 22 4.058 2.037 0.561 137 HA LEU 22 HA LEU 22 5.699 -0.233 1.324 138 1HB LEU 22 HB2 LEU 22 6.545 1.613 -0.118 139 2HB LEU 22 HB1 LEU 22 6.353 2.722 1.236 140 HG LEU 22 HG LEU 22 8.056 1.569 2.500 141 1HD1 LEU 22 HD11 LEU 22 7.587 -0.713 1.749 142 2HD1 LEU 22 HD12 LEU 22 9.306 -0.324 1.601 143 3HD1 LEU 22 HD13 LEU 22 8.272 -0.326 0.172 144 1HD2 LEU 22 HD21 LEU 22 8.937 2.049 -0.356 145 2HD2 LEU 22 HD22 LEU 22 9.994 1.975 1.054 146 3HD2 LEU 22 HD23 LEU 22 8.806 3.273 0.915 147 H GLN 23 HN GLN 23 5.266 -1.025 3.277 148 HA GLN 23 HA GLN 23 4.782 0.752 5.529 149 1HB GLN 23 HB2 GLN 23 4.690 -2.234 5.163 150 2HB GLN 23 HB1 GLN 23 4.559 -1.484 6.742 151 1HG GLN 23 HG2 GLN 23 2.594 -0.221 5.932 152 2HG GLN 23 HG1 GLN 23 2.700 -1.118 4.410 153 1HE2 GLN 23 HE21 GLN 23 3.445 -2.573 7.516 154 2HE2 GLN 23 HE22 GLN 23 2.022 -3.573 7.602 155 HA PRO 24 HA PRO 24 8.922 0.670 7.183 156 1HB PRO 24 HB2 PRO 24 7.636 0.156 9.810 157 2HB PRO 24 HB1 PRO 24 8.712 1.470 9.320 158 1HG PRO 24 HG2 PRO 24 6.069 1.842 9.686 159 2HG PRO 24 HG1 PRO 24 7.006 2.739 8.477 160 1HD PRO 24 HD2 PRO 24 5.078 0.491 8.112 161 2HD PRO 24 HD1 PRO 24 5.438 1.861 7.047 162 H GLY 25 HN GLY 25 10.312 -0.967 7.167 163 1HA GLY 25 HA2 GLY 25 11.093 -3.043 8.137 164 2HA GLY 25 HA1 GLY 25 9.413 -3.567 8.232 165 H MET 26 HN MET 26 9.120 -2.259 5.473 166 HA MET 26 HA MET 26 9.626 -4.636 3.966 167 1HB MET 26 HB2 MET 26 8.549 -1.948 3.173 168 2HB MET 26 HB1 MET 26 8.796 -3.250 2.027 169 1HG MET 26 HG2 MET 26 7.246 -4.659 3.342 170 2HG MET 26 HG1 MET 26 6.977 -3.284 4.414 171 1HE MET 26 HE1 MET 26 3.730 -3.798 2.155 172 2HE MET 26 HE2 MET 26 4.359 -3.967 3.795 173 3HE MET 26 HE3 MET 26 4.866 -5.092 2.518 174 H ARG 27 HN ARG 27 11.192 -5.076 2.603 175 HA ARG 27 HA ARG 27 13.496 -3.336 2.587 176 1HB ARG 27 HB2 ARG 27 13.340 -5.967 2.667 177 2HB ARG 27 HB1 ARG 27 13.363 -5.780 0.918 178 1HG ARG 27 HG2 ARG 27 15.510 -4.946 0.899 179 2HG ARG 27 HG1 ARG 27 15.416 -4.413 2.582 180 1HD ARG 27 HD2 ARG 27 15.664 -7.225 1.558 181 2HD ARG 27 HD1 ARG 27 16.852 -6.333 2.518 182 HE ARG 27 HE ARG 27 14.470 -7.671 3.475 183 1HH1 ARG 27 HH11 ARG 27 17.063 -5.412 4.153 184 2HH1 ARG 27 HH12 ARG 27 16.742 -5.356 5.865 185 1HH2 ARG 27 HH21 ARG 27 14.092 -7.662 5.734 186 2HH2 ARG 27 HH22 ARG 27 15.081 -6.685 6.777 187 H VAL 28 HN VAL 28 14.466 -2.387 0.824 188 HA VAL 28 HA VAL 28 12.733 -2.120 -1.566 189 HB VAL 28 HB VAL 28 13.278 0.292 -1.666 190 1HG1 VAL 28 HG11 VAL 28 11.185 -0.439 -0.637 191 2HG1 VAL 28 HG12 VAL 28 11.780 1.008 0.160 192 3HG1 VAL 28 HG13 VAL 28 11.972 -0.566 0.927 193 1HG2 VAL 28 HG21 VAL 28 14.231 1.423 0.269 194 2HG2 VAL 28 HG22 VAL 28 15.365 0.244 -0.394 195 3HG2 VAL 28 HG23 VAL 28 14.467 -0.123 1.074 196 H ARG 29 HN ARG 29 13.800 -1.295 -3.458 197 HA ARG 29 HA ARG 29 16.691 -1.906 -3.530 198 1HB ARG 29 HB2 ARG 29 15.445 -3.627 -4.690 199 2HB ARG 29 HB1 ARG 29 14.532 -2.435 -5.608 200 1HG ARG 29 HG2 ARG 29 16.174 -3.387 -7.049 201 2HG ARG 29 HG1 ARG 29 16.655 -1.731 -6.688 202 1HD ARG 29 HD2 ARG 29 18.601 -3.148 -6.592 203 2HD ARG 29 HD1 ARG 29 18.196 -2.603 -4.966 204 HE ARG 29 HE ARG 29 17.549 -4.774 -4.401 205 1HH1 ARG 29 HH11 ARG 29 18.529 -4.603 -7.762 206 2HH1 ARG 29 HH12 ARG 29 18.844 -6.312 -7.888 207 1HH2 ARG 29 HH21 ARG 29 17.986 -7.007 -4.548 208 2HH2 ARG 29 HH22 ARG 29 18.516 -7.691 -6.063 209 H MET 30 HN MET 30 17.972 -0.366 -4.338 210 HA MET 30 HA MET 30 16.806 2.128 -5.260 211 1HB MET 30 HB2 MET 30 18.802 1.993 -3.739 212 2HB MET 30 HB1 MET 30 19.709 1.327 -5.071 213 1HG MET 30 HG2 MET 30 20.164 3.666 -4.835 214 2HG MET 30 HG1 MET 30 19.353 3.361 -6.359 215 1HE MET 30 HE1 MET 30 19.633 6.262 -4.943 216 2HE MET 30 HE2 MET 30 18.032 6.893 -5.355 217 3HE MET 30 HE3 MET 30 18.937 5.952 -6.528 218 H LEU 31 HN LEU 31 16.404 2.601 -7.313 219 HA LEU 31 HA LEU 31 17.462 0.789 -9.371 220 1HB LEU 31 HB2 LEU 31 15.032 2.510 -9.162 221 2HB LEU 31 HB1 LEU 31 15.654 2.113 -10.749 222 HG LEU 31 HG LEU 31 15.335 -0.266 -10.340 223 1HD1 LEU 31 HD11 LEU 31 14.280 0.559 -7.641 224 2HD1 LEU 31 HD12 LEU 31 15.782 -0.293 -7.946 225 3HD1 LEU 31 HD13 LEU 31 14.248 -1.072 -8.327 226 1HD2 LEU 31 HD21 LEU 31 13.483 1.069 -11.236 227 2HD2 LEU 31 HD22 LEU 31 12.879 1.342 -9.604 228 3HD2 LEU 31 HD23 LEU 31 12.895 -0.286 -10.288 229 H ASP 32 HN ASP 32 18.437 3.644 -8.108 230 HA ASP 32 HA ASP 32 19.555 4.509 -10.670 231 1HB ASP 32 HB2 ASP 32 17.393 5.734 -10.279 232 2HB ASP 32 HB1 ASP 32 18.131 6.453 -8.840 233 H ASP 33 HN ASP 33 21.399 5.912 -10.412 234 HA ASP 33 HA ASP 33 22.794 5.503 -7.879 235 1HB ASP 33 HB2 ASP 33 23.934 5.056 -10.070 236 2HB ASP 33 HB1 ASP 33 23.810 6.786 -10.437 237 H TYR 34 HN TYR 34 22.954 7.068 -6.367 238 HA TYR 34 HA TYR 34 22.315 9.831 -7.081 239 1HB TYR 34 HB2 TYR 34 20.174 8.469 -6.621 240 2HB TYR 34 HB1 TYR 34 20.734 8.393 -4.933 241 HD1 TYR 34 HD1 TYR 34 20.169 10.118 -3.485 242 HD2 TYR 34 HD2 TYR 34 19.917 10.809 -7.657 243 HE1 TYR 34 HE1 TYR 34 19.073 12.281 -3.056 244 HE2 TYR 34 HE2 TYR 34 18.827 12.977 -7.259 245 HH TYR 34 HH TYR 34 18.821 14.473 -4.251 246 H GLU 35 HN GLU 35 24.247 10.567 -6.340 247 HA GLU 35 HA GLU 35 25.879 11.198 -4.948 248 1HB GLU 35 HB2 GLU 35 23.654 10.922 -2.924 249 2HB GLU 35 HB1 GLU 35 25.252 11.511 -2.504 250 1HG GLU 35 HG2 GLU 35 24.985 13.315 -4.208 251 2HG GLU 35 HG1 GLU 35 23.317 12.773 -4.423 252 H GLU 36 HN GLU 36 25.042 9.710 -2.071 253 HA GLU 36 HA GLU 36 27.388 8.124 -2.142 254 1HB GLU 36 HB2 GLU 36 25.289 7.982 -0.023 255 2HB GLU 36 HB1 GLU 36 27.036 7.765 0.134 256 1HG GLU 36 HG2 GLU 36 25.570 10.356 -0.364 257 2HG GLU 36 HG1 GLU 36 26.385 9.868 1.124 258 H ILE 37 HN ILE 37 24.068 7.570 -2.800 259 HA ILE 37 HA ILE 37 24.293 4.686 -2.413 260 HB ILE 37 HB ILE 37 21.863 6.293 -3.233 261 1HG1 ILE 37 HG12 ILE 37 22.589 7.070 -1.061 262 2HG1 ILE 37 HG11 ILE 37 21.166 6.052 -0.863 263 1HG2 ILE 37 HG21 ILE 37 20.610 4.329 -2.453 264 2HG2 ILE 37 HG22 ILE 37 22.137 3.488 -2.156 265 3HG2 ILE 37 HG23 ILE 37 21.680 3.948 -3.805 266 1HD1 ILE 37 HD11 ILE 37 22.568 4.203 -0.142 267 2HD1 ILE 37 HD12 ILE 37 22.834 5.624 0.849 268 3HD1 ILE 37 HD13 ILE 37 24.007 5.197 -0.386 269 H SER 38 HN SER 38 23.912 3.202 -4.096 270 HA SER 38 HA SER 38 24.188 4.319 -6.790 271 1HB SER 38 HB2 SER 38 25.562 2.189 -7.255 272 2HB SER 38 HB1 SER 38 26.325 3.433 -6.257 273 HG SER 38 HG SER 38 25.782 0.889 -5.625 274 H ALA 39 HN ALA 39 23.475 2.763 -8.502 275 HA ALA 39 HA ALA 39 20.922 1.740 -7.951 276 1HB ALA 39 HB1 ALA 39 20.967 0.955 -10.273 277 2HB ALA 39 HB2 ALA 39 22.682 1.358 -10.356 278 3HB ALA 39 HB3 ALA 39 21.493 2.630 -10.127 279 H GLY 40 HN GLY 40 20.238 -0.275 -7.442 280 1HA GLY 40 HA2 GLY 40 20.472 -2.657 -7.431 281 2HA GLY 40 HA1 GLY 40 22.233 -2.462 -7.556 282 H ASP 41 HN ASP 41 21.806 -0.205 -5.488 283 HA ASP 41 HA ASP 41 22.484 -1.622 -3.182 284 1HB ASP 41 HB2 ASP 41 22.769 0.905 -3.783 285 2HB ASP 41 HB1 ASP 41 21.181 1.075 -3.049 286 H GLU 42 HN GLU 42 21.261 -2.164 -1.320 287 HA GLU 42 HA GLU 42 18.341 -2.085 -1.703 288 1HB GLU 42 HB2 GLU 42 19.958 -4.376 -0.561 289 2HB GLU 42 HB1 GLU 42 18.202 -4.319 -0.674 290 1HG GLU 42 HG2 GLU 42 18.339 -4.284 -3.092 291 2HG GLU 42 HG1 GLU 42 20.104 -4.255 -3.001 292 H GLY 43 HN GLY 43 17.128 -1.891 0.221 293 1HA GLY 43 HA2 GLY 43 18.563 -1.506 2.701 294 2HA GLY 43 HA1 GLY 43 17.893 -0.032 2.000 295 H GLU 44 HN GLU 44 16.904 -0.359 4.273 296 HA GLU 44 HA GLU 44 14.354 -1.827 3.979 297 1HB GLU 44 HB2 GLU 44 15.842 -2.681 5.783 298 2HB GLU 44 HB1 GLU 44 15.857 -1.087 6.522 299 1HG GLU 44 HG2 GLU 44 13.397 -1.265 6.764 300 2HG GLU 44 HG1 GLU 44 13.516 -2.935 6.215 301 H PHE 45 HN PHE 45 12.462 -0.702 4.508 302 HA PHE 45 HA PHE 45 12.780 2.206 4.543 303 1HB PHE 45 HB2 PHE 45 11.290 1.446 2.829 304 2HB PHE 45 HB1 PHE 45 10.420 0.445 3.963 305 HD1 PHE 45 HD1 PHE 45 8.477 1.239 4.947 306 HD2 PHE 45 HD2 PHE 45 11.284 4.021 3.346 307 HE1 PHE 45 HE1 PHE 45 6.905 3.070 5.401 308 HE2 PHE 45 HE2 PHE 45 9.708 5.850 3.811 309 HZ PHE 45 HZ PHE 45 7.521 5.383 4.848 310 H ARG 46 HN ARG 46 12.488 3.325 6.397 311 HA ARG 46 HA ARG 46 11.190 1.843 8.580 312 1HB ARG 46 HB2 ARG 46 13.567 3.701 8.713 313 2HB ARG 46 HB1 ARG 46 12.674 3.160 10.141 314 1HG ARG 46 HG2 ARG 46 13.120 0.828 9.537 315 2HG ARG 46 HG1 ARG 46 14.043 1.371 8.137 316 1HD ARG 46 HD2 ARG 46 15.665 2.452 9.590 317 2HD ARG 46 HD1 ARG 46 14.714 1.999 11.010 318 HE ARG 46 HE ARG 46 15.210 -0.363 9.682 319 1HH1 ARG 46 HH11 ARG 46 17.160 2.149 11.228 320 2HH1 ARG 46 HH12 ARG 46 18.484 1.072 11.550 321 1HH2 ARG 46 HH21 ARG 46 16.951 -1.753 10.158 322 2HH2 ARG 46 HH22 ARG 46 18.369 -1.120 10.944 323 H GLN 47 HN GLN 47 11.634 5.138 7.288 324 HA GLN 47 HA GLN 47 9.049 5.789 8.499 325 1HB GLN 47 HB2 GLN 47 10.661 6.474 10.178 326 2HB GLN 47 HB1 GLN 47 11.553 7.396 8.975 327 1HG GLN 47 HG2 GLN 47 9.733 8.938 8.744 328 2HG GLN 47 HG1 GLN 47 8.715 7.969 9.790 329 1HE2 GLN 47 HE21 GLN 47 12.069 8.445 10.418 330 2HE2 GLN 47 HE22 GLN 47 11.900 9.456 11.811 331 H SER 48 HN SER 48 7.899 7.401 7.500 332 HA SER 48 HA SER 48 9.157 8.819 5.253 333 1HB SER 48 HB2 SER 48 6.929 8.670 4.084 334 2HB SER 48 HB1 SER 48 7.790 7.151 4.200 335 HG SER 48 HG SER 48 5.788 6.651 4.847 336 H ASN 49 HN ASN 49 8.407 10.964 4.933 337 HA ASN 49 HA ASN 49 7.083 12.056 7.320 338 1HB ASN 49 HB2 ASN 49 8.982 13.305 5.336 339 2HB ASN 49 HB1 ASN 49 8.102 14.238 6.552 340 1HD2 ASN 49 HD21 ASN 49 8.323 12.211 8.614 341 2HD2 ASN 49 HD22 ASN 49 9.982 12.210 9.126 342 H ASN 50 HN ASN 50 4.941 12.117 6.879 343 HA ASN 50 HA ASN 50 3.040 13.186 6.296 344 1HB ASN 50 HB2 ASN 50 4.835 15.055 4.757 345 2HB ASN 50 HB1 ASN 50 3.122 15.346 5.101 346 1HD2 ASN 50 HD21 ASN 50 2.507 15.803 7.220 347 2HD2 ASN 50 HD22 ASN 50 3.658 16.373 8.392 348 H GLY 51 HN GLY 51 5.150 12.845 3.531 349 1HA GLY 51 HA2 GLY 51 4.024 11.440 1.690 350 2HA GLY 51 HA1 GLY 51 2.796 12.706 1.759 351 H VAL 52 HN VAL 52 6.314 12.796 1.944 352 HA VAL 52 HA VAL 52 6.298 14.833 -0.192 353 HB VAL 52 HB VAL 52 8.268 15.864 0.883 354 1HG1 VAL 52 HG11 VAL 52 6.100 16.807 1.383 355 2HG1 VAL 52 HG12 VAL 52 7.106 16.858 2.824 356 3HG1 VAL 52 HG13 VAL 52 5.845 15.626 2.670 357 1HG2 VAL 52 HG21 VAL 52 9.161 13.940 2.039 358 2HG2 VAL 52 HG22 VAL 52 7.742 13.874 3.074 359 3HG2 VAL 52 HG23 VAL 52 8.863 15.239 3.194 360 HA PRO 53 HA PRO 53 9.190 12.678 -2.678 361 1HB PRO 53 HB2 PRO 53 11.216 14.793 -2.399 362 2HB PRO 53 HB1 PRO 53 10.451 14.138 -3.852 363 1HG PRO 53 HG2 PRO 53 9.807 16.552 -2.811 364 2HG PRO 53 HG1 PRO 53 8.658 15.560 -3.716 365 1HD PRO 53 HD2 PRO 53 8.801 16.135 -0.833 366 2HD PRO 53 HD1 PRO 53 7.406 15.682 -1.825 367 HA PRO 54 HA PRO 54 13.126 12.283 0.076 368 1HB PRO 54 HB2 PRO 54 12.998 13.323 2.592 369 2HB PRO 54 HB1 PRO 54 13.753 14.143 1.227 370 1HG PRO 54 HG2 PRO 54 11.025 14.513 2.384 371 2HG PRO 54 HG1 PRO 54 12.169 15.739 1.802 372 1HD PRO 54 HD2 PRO 54 10.049 14.945 0.347 373 2HD PRO 54 HD1 PRO 54 11.598 15.402 -0.402 374 H VAL 55 HN VAL 55 13.297 10.354 0.951 375 HA VAL 55 HA VAL 55 11.262 9.416 2.847 376 HB VAL 55 HB VAL 55 10.732 8.379 0.690 377 1HG1 VAL 55 HG11 VAL 55 12.894 8.613 -0.365 378 2HG1 VAL 55 HG12 VAL 55 12.306 6.952 -0.468 379 3HG1 VAL 55 HG13 VAL 55 13.568 7.384 0.691 380 1HG2 VAL 55 HG21 VAL 55 12.095 6.418 2.521 381 2HG2 VAL 55 HG22 VAL 55 10.883 6.036 1.303 382 3HG2 VAL 55 HG23 VAL 55 10.453 7.013 2.702 383 H GLN 56 HN GLN 56 12.073 8.110 4.534 384 HA GLN 56 HA GLN 56 14.982 8.215 4.836 385 1HB GLN 56 HB2 GLN 56 13.717 9.134 6.680 386 2HB GLN 56 HB1 GLN 56 12.793 7.637 6.836 387 1HG GLN 56 HG2 GLN 56 14.481 7.733 8.552 388 2HG GLN 56 HG1 GLN 56 14.886 6.459 7.406 389 1HE2 GLN 56 HE21 GLN 56 15.759 9.583 8.667 390 2HE2 GLN 56 HE22 GLN 56 17.310 9.679 7.903 391 H VAL 57 HN VAL 57 16.012 6.498 4.053 392 HA VAL 57 HA VAL 57 14.872 3.832 4.568 393 HB VAL 57 HB VAL 57 16.435 4.724 2.132 394 1HG1 VAL 57 HG11 VAL 57 15.212 2.042 2.794 395 2HG1 VAL 57 HG12 VAL 57 16.936 2.418 2.717 396 3HG1 VAL 57 HG13 VAL 57 15.954 2.484 1.266 397 1HG2 VAL 57 HG21 VAL 57 14.370 4.333 0.861 398 2HG2 VAL 57 HG22 VAL 57 14.144 5.558 2.117 399 3HG2 VAL 57 HG23 VAL 57 13.524 3.922 2.360 400 H PHE 58 HN PHE 58 16.206 2.390 5.486 401 HA PHE 58 HA PHE 58 18.928 3.238 6.122 402 1HB PHE 58 HB2 PHE 58 17.601 2.257 7.934 403 2HB PHE 58 HB1 PHE 58 17.312 0.801 6.967 404 HD1 PHE 58 HD1 PHE 58 20.042 2.800 8.501 405 HD2 PHE 58 HD2 PHE 58 18.739 -1.022 7.153 406 HE1 PHE 58 HE1 PHE 58 22.057 1.777 9.476 407 HE2 PHE 58 HE2 PHE 58 20.755 -2.056 8.136 408 HZ PHE 58 HZ PHE 58 22.409 -0.660 9.306 409 H TRP 59 HN TRP 59 20.321 2.922 4.514 410 HA TRP 59 HA TRP 59 19.888 0.789 2.598 411 1HB TRP 59 HB2 TRP 59 21.932 3.013 2.723 412 2HB TRP 59 HB1 TRP 59 21.879 1.786 1.444 413 HD1 TRP 59 HD1 TRP 59 20.423 5.102 2.394 414 HE1 TRP 59 HE1 TRP 59 18.578 5.756 0.710 415 HE3 TRP 59 HE3 TRP 59 19.913 0.629 -0.026 416 HZ2 TRP 59 HZ2 TRP 59 17.113 4.548 -1.348 417 HZ3 TRP 59 HZ3 TRP 59 18.248 0.454 -1.840 418 HH2 TRP 59 HH2 TRP 59 16.878 2.375 -2.473 419 H GLU 60 HN GLU 60 20.704 -1.157 2.786 420 HA GLU 60 HA GLU 60 22.280 -1.819 5.028 421 1HB GLU 60 HB2 GLU 60 21.450 -3.488 2.666 422 2HB GLU 60 HB1 GLU 60 22.165 -4.125 4.141 423 1HG GLU 60 HG2 GLU 60 20.257 -3.226 5.417 424 2HG GLU 60 HG1 GLU 60 19.530 -2.657 3.919 425 H SER 61 HN SER 61 23.004 -1.389 1.640 426 HA SER 61 HA SER 61 25.540 -2.616 1.652 427 1HB SER 61 HB2 SER 61 24.801 -0.298 -0.127 428 2HB SER 61 HB1 SER 61 25.891 -1.635 -0.475 429 HG SER 61 HG SER 61 23.158 -1.449 -0.668 430 H THR 62 HN THR 62 24.523 0.709 2.317 431 HA THR 62 HA THR 62 27.263 1.522 2.745 432 HB THR 62 HB THR 62 26.132 3.713 3.417 433 HG1 THR 62 HG1 THR 62 23.882 3.214 2.059 434 1HG2 THR 62 HG21 THR 62 25.694 4.350 1.089 435 2HG2 THR 62 HG22 THR 62 25.673 2.653 0.633 436 3HG2 THR 62 HG23 THR 62 27.169 3.370 1.210 437 H GLY 63 HN GLY 63 24.349 0.844 4.585 438 1HA GLY 63 HA2 GLY 63 24.275 -0.013 6.776 439 2HA GLY 63 HA1 GLY 63 25.980 0.452 6.978 440 H ARG 64 HN ARG 64 23.635 2.717 5.731 441 HA ARG 64 HA ARG 64 23.316 3.974 8.313 442 1HB ARG 64 HB2 ARG 64 24.110 6.187 7.384 443 2HB ARG 64 HB1 ARG 64 25.367 4.983 7.677 444 1HG ARG 64 HG2 ARG 64 25.325 4.416 5.273 445 2HG ARG 64 HG1 ARG 64 24.166 5.709 5.010 446 1HD ARG 64 HD2 ARG 64 26.936 6.036 6.146 447 2HD ARG 64 HD1 ARG 64 26.466 6.376 4.479 448 HE ARG 64 HE ARG 64 24.797 7.971 5.734 449 1HH1 ARG 64 HH11 ARG 64 28.182 7.386 6.467 450 2HH1 ARG 64 HH12 ARG 64 28.452 8.982 7.076 451 1HH2 ARG 64 HH21 ARG 64 25.152 10.086 6.576 452 2HH2 ARG 64 HH22 ARG 64 26.742 10.513 7.154 453 H THR 65 HN THR 65 21.841 5.889 8.179 454 HA THR 65 HA THR 65 19.639 5.258 6.407 455 HB THR 65 HB THR 65 18.536 7.152 7.750 456 HG1 THR 65 HG1 THR 65 20.152 8.262 8.689 457 1HG2 THR 65 HG21 THR 65 19.601 4.723 9.208 458 2HG2 THR 65 HG22 THR 65 18.151 4.773 8.197 459 3HG2 THR 65 HG23 THR 65 18.200 5.681 9.696 460 H TYR 66 HN TYR 66 18.746 6.628 4.895 461 HA TYR 66 HA TYR 66 20.110 9.132 4.267 462 1HB TYR 66 HB2 TYR 66 21.415 7.405 3.072 463 2HB TYR 66 HB1 TYR 66 19.955 6.848 2.267 464 HD1 TYR 66 HD1 TYR 66 21.986 9.943 2.715 465 HD2 TYR 66 HD2 TYR 66 19.486 7.665 0.149 466 HE1 TYR 66 HE1 TYR 66 22.382 11.557 0.905 467 HE2 TYR 66 HE2 TYR 66 19.895 9.260 -1.680 468 HH TYR 66 HH TYR 66 22.285 11.692 -1.523 469 H TRP 67 HN TRP 67 18.822 10.575 3.123 470 HA TRP 67 HA TRP 67 16.017 9.763 2.818 471 1HB TRP 67 HB2 TRP 67 17.378 12.467 2.856 472 2HB TRP 67 HB1 TRP 67 15.693 12.262 2.379 473 HD1 TRP 67 HD1 TRP 67 14.069 11.156 4.351 474 HE1 TRP 67 HE1 TRP 67 14.109 11.610 6.886 475 HE3 TRP 67 HE3 TRP 67 18.831 12.986 4.780 476 HZ2 TRP 67 HZ2 TRP 67 15.924 12.576 8.815 477 HZ3 TRP 67 HZ3 TRP 67 19.629 13.634 7.002 478 HH2 TRP 67 HH2 TRP 67 18.213 13.423 8.973 479 H VAL 68 HN VAL 68 15.363 9.055 0.901 480 HA VAL 68 HA VAL 68 16.828 9.910 -1.504 481 HB VAL 68 HB VAL 68 15.185 7.481 -1.634 482 1HG1 VAL 68 HG11 VAL 68 17.130 6.644 -2.889 483 2HG1 VAL 68 HG12 VAL 68 17.979 8.152 -2.524 484 3HG1 VAL 68 HG13 VAL 68 16.513 8.177 -3.513 485 1HG2 VAL 68 HG21 VAL 68 17.713 7.508 -0.015 486 2HG2 VAL 68 HG22 VAL 68 16.847 6.058 -0.529 487 3HG2 VAL 68 HG23 VAL 68 16.086 7.190 0.591 488 H HIS 69 HN HIS 69 15.264 9.460 -3.531 489 HA HIS 69 HA HIS 69 12.656 10.598 -2.833 490 1HB HIS 69 HB2 HIS 69 14.149 10.595 -5.457 491 2HB HIS 69 HB1 HIS 69 12.514 11.248 -5.230 492 HD1 HIS 69 HD1 HIS 69 13.069 12.710 -2.502 493 HD2 HIS 69 HD2 HIS 69 15.471 12.960 -5.894 494 HE1 HIS 69 HE1 HIS 69 14.326 14.876 -2.281 495 HE2 HIS 69 HE2 HIS 69 15.657 15.096 -4.419 496 H TRP 70 HN TRP 70 10.789 9.629 -3.351 497 HA TRP 70 HA TRP 70 10.660 6.901 -3.329 498 1HB TRP 70 HB2 TRP 70 8.599 8.824 -4.355 499 2HB TRP 70 HB1 TRP 70 8.286 7.156 -3.952 500 HD1 TRP 70 HD1 TRP 70 8.722 10.568 -2.409 501 HE1 TRP 70 HE1 TRP 70 8.218 10.425 0.108 502 HE3 TRP 70 HE3 TRP 70 8.421 5.480 -1.899 503 HZ2 TRP 70 HZ2 TRP 70 7.739 8.463 2.026 504 HZ3 TRP 70 HZ3 TRP 70 7.929 4.551 0.322 505 HH2 TRP 70 HH2 TRP 70 7.587 6.009 2.237 506 H HIS 71 HN HIS 71 10.521 8.960 -6.211 507 HA HIS 71 HA HIS 71 9.492 6.840 -7.827 508 1HB HIS 71 HB2 HIS 71 9.743 8.301 -9.745 509 2HB HIS 71 HB1 HIS 71 9.005 9.160 -8.395 510 HD1 HIS 71 HD1 HIS 71 9.660 11.492 -9.037 511 HD2 HIS 71 HD2 HIS 71 12.915 8.900 -9.016 512 HE1 HIS 71 HE1 HIS 71 11.686 12.937 -9.402 513 HE2 HIS 71 HE2 HIS 71 13.609 11.322 -9.586 514 H MET 72 HN MET 72 12.586 7.242 -6.680 515 HA MET 72 HA MET 72 13.702 5.713 -8.953 516 1HB MET 72 HB2 MET 72 15.926 6.383 -8.168 517 2HB MET 72 HB1 MET 72 14.925 7.800 -8.501 518 1HG MET 72 HG2 MET 72 14.451 7.938 -6.055 519 2HG MET 72 HG1 MET 72 15.594 6.619 -5.819 520 1HE MET 72 HE1 MET 72 15.183 10.326 -7.099 521 2HE MET 72 HE2 MET 72 15.961 9.516 -8.463 522 3HE MET 72 HE3 MET 72 16.841 10.730 -7.538 523 H LEU 73 HN LEU 73 12.152 5.074 -6.335 524 HA LEU 73 HA LEU 73 13.996 3.019 -5.320 525 1HB LEU 73 HB2 LEU 73 13.496 4.834 -3.734 526 2HB LEU 73 HB1 LEU 73 11.786 4.487 -3.869 527 HG LEU 73 HG LEU 73 12.208 2.241 -2.887 528 1HD1 LEU 73 HD11 LEU 73 14.997 3.320 -2.521 529 2HD1 LEU 73 HD12 LEU 73 14.526 1.988 -3.572 530 3HD1 LEU 73 HD13 LEU 73 14.375 1.830 -1.825 531 1HD2 LEU 73 HD21 LEU 73 13.205 4.557 -1.216 532 2HD2 LEU 73 HD22 LEU 73 12.592 3.021 -0.611 533 3HD2 LEU 73 HD23 LEU 73 11.512 4.128 -1.477 534 H GLU 74 HN GLU 74 13.239 0.945 -5.331 535 HA GLU 74 HA GLU 74 10.445 0.536 -6.140 536 1HB GLU 74 HB2 GLU 74 11.932 -0.276 -7.843 537 2HB GLU 74 HB1 GLU 74 12.881 -1.160 -6.658 538 1HG GLU 74 HG2 GLU 74 11.377 -2.849 -6.512 539 2HG GLU 74 HG1 GLU 74 10.003 -1.818 -6.906 540 H ILE 75 HN ILE 75 9.207 -1.028 -5.151 541 HA ILE 75 HA ILE 75 10.026 -1.535 -2.381 542 HB ILE 75 HB ILE 75 8.019 -0.265 -2.494 543 1HG1 ILE 75 HG12 ILE 75 7.271 -3.154 -1.971 544 2HG1 ILE 75 HG11 ILE 75 7.969 -2.028 -0.802 545 1HG2 ILE 75 HG21 ILE 75 6.030 -0.983 -3.751 546 2HG2 ILE 75 HG22 ILE 75 6.959 -2.335 -4.410 547 3HG2 ILE 75 HG23 ILE 75 7.416 -0.681 -4.800 548 1HD1 ILE 75 HD11 ILE 75 5.607 -2.266 -0.419 549 2HD1 ILE 75 HD12 ILE 75 5.257 -1.807 -2.090 550 3HD1 ILE 75 HD13 ILE 75 5.965 -0.629 -0.982 551 H LEU 76 HN LEU 76 10.518 -3.527 -1.769 552 HA LEU 76 HA LEU 76 9.663 -5.804 -3.434 553 1HB LEU 76 HB2 LEU 76 12.012 -5.455 -1.583 554 2HB LEU 76 HB1 LEU 76 11.479 -7.032 -2.118 555 HG LEU 76 HG LEU 76 11.829 -6.276 -4.480 556 1HD1 LEU 76 HD11 LEU 76 13.264 -4.355 -4.879 557 2HD1 LEU 76 HD12 LEU 76 13.217 -3.949 -3.161 558 3HD1 LEU 76 HD13 LEU 76 11.744 -3.862 -4.134 559 1HD2 LEU 76 HD21 LEU 76 14.235 -6.249 -2.661 560 2HD2 LEU 76 HD22 LEU 76 14.256 -6.508 -4.406 561 3HD2 LEU 76 HD23 LEU 76 13.465 -7.678 -3.346 562 H GLY 77 HN GLY 77 9.827 -4.586 -0.141 563 1HA GLY 77 HA2 GLY 77 8.235 -4.999 1.539 564 2HA GLY 77 HA1 GLY 77 7.596 -6.332 0.578 565 H PHE 78 HN PHE 78 7.607 -7.628 2.498 566 HA PHE 78 HA PHE 78 10.218 -8.909 2.732 567 1HB PHE 78 HB2 PHE 78 9.706 -9.363 5.207 568 2HB PHE 78 HB1 PHE 78 10.218 -7.749 4.779 569 HD1 PHE 78 HD1 PHE 78 8.572 -5.890 4.752 570 HD2 PHE 78 HD2 PHE 78 7.568 -9.779 6.173 571 HE1 PHE 78 HE1 PHE 78 6.621 -4.956 5.914 572 HE2 PHE 78 HE2 PHE 78 5.603 -8.867 7.309 573 HZ PHE 78 HZ PHE 78 5.137 -6.455 7.210 574 H GLU 79 HN GLU 79 9.681 -10.550 1.463 575 HA GLU 79 HA GLU 79 7.378 -12.216 2.120 576 1HB GLU 79 HB2 GLU 79 9.347 -12.397 -0.160 577 2HB GLU 79 HB1 GLU 79 7.926 -13.415 0.064 578 1HG GLU 79 HG2 GLU 79 6.463 -11.559 -0.264 579 2HG GLU 79 HG1 GLU 79 7.814 -10.421 -0.244 580 H GLU 80 HN GLU 80 10.808 -12.621 1.399 581 HA GLU 80 HA GLU 80 10.942 -14.642 3.528 582 1HB GLU 80 HB2 GLU 80 11.513 -15.553 1.281 583 2HB GLU 80 HB1 GLU 80 12.767 -14.350 1.134 584 1HG GLU 80 HG2 GLU 80 13.894 -15.320 3.094 585 2HG GLU 80 HG1 GLU 80 12.659 -16.565 3.158 Start of MODEL 16 1 H MET 4 HN MET 4 9.933 3.022 -19.069 2 HA MET 4 HA MET 4 11.256 4.802 -17.298 3 1HB MET 4 HB2 MET 4 9.926 6.587 -18.465 4 2HB MET 4 HB1 MET 4 10.893 5.562 -19.514 5 1HG MET 4 HG2 MET 4 7.961 5.120 -19.045 6 2HG MET 4 HG1 MET 4 8.576 6.169 -20.320 7 1HE MET 4 HE1 MET 4 7.377 3.075 -22.370 8 2HE MET 4 HE2 MET 4 7.344 4.844 -22.213 9 3HE MET 4 HE3 MET 4 6.609 3.839 -20.976 10 H ARG 5 HN ARG 5 10.694 5.510 -15.391 11 HA ARG 5 HA ARG 5 8.373 4.609 -14.082 12 1HB ARG 5 HB2 ARG 5 10.350 6.712 -13.272 13 2HB ARG 5 HB1 ARG 5 9.138 6.024 -12.212 14 1HG ARG 5 HG2 ARG 5 10.634 4.516 -11.615 15 2HG ARG 5 HG1 ARG 5 10.511 3.846 -13.241 16 1HD ARG 5 HD2 ARG 5 12.833 4.309 -12.600 17 2HD ARG 5 HD1 ARG 5 12.331 5.275 -13.986 18 HE ARG 5 HE ARG 5 11.865 6.784 -11.695 19 1HH1 ARG 5 HH11 ARG 5 14.602 5.439 -13.412 20 2HH1 ARG 5 HH12 ARG 5 15.683 6.728 -12.943 21 1HH2 ARG 5 HH21 ARG 5 13.273 8.467 -11.077 22 2HH2 ARG 5 HH22 ARG 5 14.936 8.429 -11.567 23 H SER 6 HN SER 6 9.180 7.564 -15.712 24 HA SER 6 HA SER 6 7.025 9.059 -14.522 25 1HB SER 6 HB2 SER 6 7.854 10.840 -16.104 26 2HB SER 6 HB1 SER 6 9.053 10.228 -14.968 27 HG SER 6 HG SER 6 8.959 10.051 -17.718 28 H GLU 7 HN GLU 7 6.680 6.654 -16.554 29 HA GLU 7 HA GLU 7 5.419 7.810 -18.832 30 1HB GLU 7 HB2 GLU 7 4.696 5.566 -19.381 31 2HB GLU 7 HB1 GLU 7 6.383 5.558 -18.874 32 1HG GLU 7 HG2 GLU 7 5.799 4.652 -16.754 33 2HG GLU 7 HG1 GLU 7 4.072 4.843 -17.079 34 H PHE 8 HN PHE 8 4.376 7.242 -15.625 35 HA PHE 8 HA PHE 8 1.624 6.840 -16.024 36 1HB PHE 8 HB2 PHE 8 3.132 8.137 -13.751 37 2HB PHE 8 HB1 PHE 8 1.386 7.864 -13.731 38 HD1 PHE 8 HD1 PHE 8 4.663 6.149 -13.902 39 HD2 PHE 8 HD2 PHE 8 0.475 5.761 -13.252 40 HE1 PHE 8 HE1 PHE 8 4.997 3.844 -13.099 41 HE2 PHE 8 HE2 PHE 8 0.816 3.463 -12.444 42 HZ PHE 8 HZ PHE 8 3.073 2.510 -12.368 43 H ALA 9 HN ALA 9 -0.109 8.403 -15.651 44 HA ALA 9 HA ALA 9 0.052 10.450 -17.553 45 1HB ALA 9 HB1 ALA 9 -2.031 9.277 -16.964 46 2HB ALA 9 HB2 ALA 9 -2.214 11.028 -16.884 47 3HB ALA 9 HB3 ALA 9 -2.031 10.090 -15.401 48 H SER 10 HN SER 10 0.169 10.562 -14.030 49 HA SER 10 HA SER 10 0.739 13.423 -14.157 50 1HB SER 10 HB2 SER 10 0.382 11.660 -11.717 51 2HB SER 10 HB1 SER 10 0.390 13.421 -11.771 52 HG SER 10 HG SER 10 -1.643 13.387 -12.231 53 H GLY 11 HN GLY 11 2.383 10.552 -14.248 54 1HA GLY 11 HA2 GLY 11 4.588 9.993 -14.035 55 2HA GLY 11 HA1 GLY 11 4.940 11.675 -13.712 56 H ASN 12 HN ASN 12 3.790 12.280 -11.482 57 HA ASN 12 HA ASN 12 5.273 11.147 -9.419 58 1HB ASN 12 HB2 ASN 12 2.690 12.723 -9.248 59 2HB ASN 12 HB1 ASN 12 3.781 12.415 -7.906 60 1HD2 ASN 12 HD21 ASN 12 2.916 14.934 -9.093 61 2HD2 ASN 12 HD22 ASN 12 4.365 15.750 -9.561 62 H THR 13 HN THR 13 2.224 10.146 -10.757 63 HA THR 13 HA THR 13 1.051 8.757 -8.716 64 HB THR 13 HB THR 13 1.174 7.766 -11.580 65 HG1 THR 13 HG1 THR 13 -0.348 9.899 -10.384 66 1HG2 THR 13 HG21 THR 13 -0.987 7.635 -9.462 67 2HG2 THR 13 HG22 THR 13 0.018 6.305 -10.017 68 3HG2 THR 13 HG23 THR 13 -1.123 7.057 -11.128 69 H TYR 14 HN TYR 14 3.889 7.883 -10.622 70 HA TYR 14 HA TYR 14 4.108 5.194 -9.924 71 1HB TYR 14 HB2 TYR 14 5.532 6.039 -11.664 72 2HB TYR 14 HB1 TYR 14 6.188 7.280 -10.598 73 HD1 TYR 14 HD1 TYR 14 8.074 6.839 -9.235 74 HD2 TYR 14 HD2 TYR 14 6.117 3.635 -11.239 75 HE1 TYR 14 HE1 TYR 14 9.928 5.337 -8.630 76 HE2 TYR 14 HE2 TYR 14 7.957 2.127 -10.618 77 HH TYR 14 HH TYR 14 10.315 2.949 -8.295 78 H ALA 15 HN ALA 15 5.594 8.072 -8.527 79 HA ALA 15 HA ALA 15 6.786 6.813 -6.347 80 1HB ALA 15 HB1 ALA 15 7.390 9.081 -7.129 81 2HB ALA 15 HB2 ALA 15 7.034 9.059 -5.411 82 3HB ALA 15 HB3 ALA 15 5.845 9.681 -6.546 83 H LEU 16 HN LEU 16 3.510 7.907 -6.860 84 HA LEU 16 HA LEU 16 2.782 7.955 -4.110 85 1HB LEU 16 HB2 LEU 16 1.601 9.285 -5.794 86 2HB LEU 16 HB1 LEU 16 1.062 7.824 -6.583 87 HG LEU 16 HG LEU 16 -0.232 7.204 -4.572 88 1HD1 LEU 16 HD11 LEU 16 0.566 9.969 -3.630 89 2HD1 LEU 16 HD12 LEU 16 1.058 8.422 -2.904 90 3HD1 LEU 16 HD13 LEU 16 -0.628 8.914 -2.871 91 1HD2 LEU 16 HD21 LEU 16 -1.288 8.362 -6.442 92 2HD2 LEU 16 HD22 LEU 16 -0.903 9.917 -5.696 93 3HD2 LEU 16 HD23 LEU 16 -2.018 8.807 -4.901 94 H TYR 17 HN TYR 17 2.439 5.681 -6.764 95 HA TYR 17 HA TYR 17 0.967 3.748 -5.371 96 1HB TYR 17 HB2 TYR 17 1.122 3.856 -7.830 97 2HB TYR 17 HB1 TYR 17 2.819 3.376 -7.741 98 HD1 TYR 17 HD1 TYR 17 3.313 1.151 -8.035 99 HD2 TYR 17 HD2 TYR 17 -0.544 2.186 -6.592 100 HE1 TYR 17 HE1 TYR 17 2.652 -1.230 -8.107 101 HE2 TYR 17 HE2 TYR 17 -1.208 -0.180 -6.648 102 HH TYR 17 HH TYR 17 1.026 -2.720 -7.069 103 H VAL 18 HN VAL 18 4.453 3.891 -6.080 104 HA VAL 18 HA VAL 18 5.122 1.515 -4.787 105 HB VAL 18 HB VAL 18 7.420 2.324 -4.680 106 1HG1 VAL 18 HG11 VAL 18 5.968 2.918 -7.236 107 2HG1 VAL 18 HG12 VAL 18 6.628 1.357 -6.740 108 3HG1 VAL 18 HG13 VAL 18 7.719 2.697 -7.102 109 1HG2 VAL 18 HG21 VAL 18 6.287 4.946 -5.664 110 2HG2 VAL 18 HG22 VAL 18 8.004 4.547 -5.542 111 3HG2 VAL 18 HG23 VAL 18 7.026 4.662 -4.080 112 H ARG 19 HN ARG 19 4.907 4.803 -3.425 113 HA ARG 19 HA ARG 19 5.908 4.031 -0.888 114 1HB ARG 19 HB2 ARG 19 5.217 6.224 -0.124 115 2HB ARG 19 HB1 ARG 19 5.982 6.377 -1.693 116 1HG ARG 19 HG2 ARG 19 3.865 6.661 -2.777 117 2HG ARG 19 HG1 ARG 19 3.014 6.317 -1.262 118 1HD ARG 19 HD2 ARG 19 4.881 8.636 -1.742 119 2HD ARG 19 HD1 ARG 19 3.114 8.729 -1.751 120 HE ARG 19 HE ARG 19 4.471 7.757 0.666 121 1HH1 ARG 19 HH11 ARG 19 2.729 10.344 -0.943 122 2HH1 ARG 19 HH12 ARG 19 2.267 11.111 0.547 123 1HH2 ARG 19 HH21 ARG 19 3.953 8.788 2.597 124 2HH2 ARG 19 HH22 ARG 19 2.980 10.235 2.573 125 H ASP 20 HN ASP 20 2.860 3.788 -2.385 126 HA ASP 20 HA ASP 20 1.313 3.653 0.012 127 1HB ASP 20 HB2 ASP 20 0.294 4.303 -2.131 128 2HB ASP 20 HB1 ASP 20 0.642 2.701 -2.770 129 H THR 21 HN THR 21 2.950 1.353 -2.073 130 HA THR 21 HA THR 21 1.936 -0.944 -0.647 131 HB THR 21 HB THR 21 4.275 -0.939 -2.541 132 HG1 THR 21 HG1 THR 21 1.489 -0.769 -3.108 133 1HG2 THR 21 HG21 THR 21 2.168 -3.013 -1.864 134 2HG2 THR 21 HG22 THR 21 3.854 -3.018 -1.332 135 3HG2 THR 21 HG23 THR 21 3.470 -3.218 -3.046 136 H LEU 22 HN LEU 22 4.794 1.067 -0.675 137 HA LEU 22 HA LEU 22 6.441 -0.669 0.849 138 1HB LEU 22 HB2 LEU 22 7.320 1.080 -0.683 139 2HB LEU 22 HB1 LEU 22 6.697 2.305 0.424 140 HG LEU 22 HG LEU 22 8.237 1.402 2.175 141 1HD1 LEU 22 HD11 LEU 22 9.361 -0.228 -0.097 142 2HD1 LEU 22 HD12 LEU 22 8.460 -0.877 1.273 143 3HD1 LEU 22 HD13 LEU 22 10.022 -0.116 1.539 144 1HD2 LEU 22 HD21 LEU 22 9.541 2.296 -0.398 145 2HD2 LEU 22 HD22 LEU 22 10.289 2.340 1.206 146 3HD2 LEU 22 HD23 LEU 22 8.866 3.337 0.857 147 H GLN 23 HN GLN 23 5.509 -1.260 2.735 148 HA GLN 23 HA GLN 23 4.492 0.689 4.589 149 1HB GLN 23 HB2 GLN 23 4.886 -2.276 4.908 150 2HB GLN 23 HB1 GLN 23 3.975 -1.242 5.992 151 1HG GLN 23 HG2 GLN 23 2.443 -0.753 4.029 152 2HG GLN 23 HG1 GLN 23 3.301 -2.032 3.164 153 1HE2 GLN 23 HE21 GLN 23 3.648 -3.416 5.851 154 2HE2 GLN 23 HE22 GLN 23 2.122 -4.214 6.106 155 HA PRO 24 HA PRO 24 8.057 1.244 7.193 156 1HB PRO 24 HB2 PRO 24 6.432 0.266 9.484 157 2HB PRO 24 HB1 PRO 24 7.313 1.798 9.286 158 1HG PRO 24 HG2 PRO 24 4.650 1.703 9.135 159 2HG PRO 24 HG1 PRO 24 5.594 2.754 8.061 160 1HD PRO 24 HD2 PRO 24 4.281 0.133 7.453 161 2HD PRO 24 HD1 PRO 24 4.438 1.588 6.448 162 H GLY 25 HN GLY 25 9.742 -0.074 7.252 163 1HA GLY 25 HA2 GLY 25 10.981 -1.817 8.265 164 2HA GLY 25 HA1 GLY 25 9.491 -2.687 8.563 165 H MET 26 HN MET 26 9.064 -1.638 5.597 166 HA MET 26 HA MET 26 9.607 -4.148 4.368 167 1HB MET 26 HB2 MET 26 7.785 -2.298 3.916 168 2HB MET 26 HB1 MET 26 9.001 -1.656 2.822 169 1HG MET 26 HG2 MET 26 8.998 -3.667 1.533 170 2HG MET 26 HG1 MET 26 7.918 -4.459 2.695 171 1HE MET 26 HE1 MET 26 5.302 -4.110 -0.065 172 2HE MET 26 HE2 MET 26 5.996 -5.120 1.216 173 3HE MET 26 HE3 MET 26 6.968 -4.677 -0.182 174 H ARG 27 HN ARG 27 11.294 -4.747 3.127 175 HA ARG 27 HA ARG 27 13.613 -3.057 3.038 176 1HB ARG 27 HB2 ARG 27 13.946 -5.426 3.376 177 2HB ARG 27 HB1 ARG 27 13.080 -5.792 1.890 178 1HG ARG 27 HG2 ARG 27 14.848 -4.942 0.524 179 2HG ARG 27 HG1 ARG 27 15.629 -4.203 1.931 180 1HD ARG 27 HD2 ARG 27 15.174 -7.153 1.790 181 2HD ARG 27 HD1 ARG 27 16.549 -6.388 1.003 182 HE ARG 27 HE ARG 27 16.807 -5.429 3.472 183 1HH1 ARG 27 HH11 ARG 27 16.072 -8.717 2.460 184 2HH1 ARG 27 HH12 ARG 27 17.047 -9.432 3.724 185 1HH2 ARG 27 HH21 ARG 27 18.012 -6.397 5.140 186 2HH2 ARG 27 HH22 ARG 27 18.128 -8.134 5.228 187 H VAL 28 HN VAL 28 14.593 -2.143 1.270 188 HA VAL 28 HA VAL 28 12.798 -1.753 -1.031 189 HB VAL 28 HB VAL 28 13.610 0.557 -1.194 190 1HG1 VAL 28 HG11 VAL 28 11.561 0.159 0.072 191 2HG1 VAL 28 HG12 VAL 28 12.492 1.480 0.783 192 3HG1 VAL 28 HG13 VAL 28 12.520 -0.114 1.518 193 1HG2 VAL 28 HG21 VAL 28 15.079 -0.066 1.355 194 2HG2 VAL 28 HG22 VAL 28 14.913 1.535 0.630 195 3HG2 VAL 28 HG23 VAL 28 15.809 0.267 -0.218 196 H ARG 29 HN ARG 29 13.781 -1.051 -2.995 197 HA ARG 29 HA ARG 29 16.569 -2.021 -3.287 198 1HB ARG 29 HB2 ARG 29 14.913 -3.516 -4.317 199 2HB ARG 29 HB1 ARG 29 14.303 -2.159 -5.282 200 1HG ARG 29 HG2 ARG 29 15.692 -3.429 -6.710 201 2HG ARG 29 HG1 ARG 29 16.585 -1.967 -6.278 202 1HD ARG 29 HD2 ARG 29 17.882 -3.172 -4.667 203 2HD ARG 29 HD1 ARG 29 16.919 -4.626 -4.907 204 HE ARG 29 HE ARG 29 18.272 -3.601 -7.265 205 1HH1 ARG 29 HH11 ARG 29 18.248 -5.881 -4.618 206 2HH1 ARG 29 HH12 ARG 29 19.421 -6.934 -5.355 207 1HH2 ARG 29 HH21 ARG 29 19.827 -4.950 -8.232 208 2HH2 ARG 29 HH22 ARG 29 20.313 -6.406 -7.415 209 H MET 30 HN MET 30 17.938 -0.472 -3.850 210 HA MET 30 HA MET 30 17.018 2.080 -4.774 211 1HB MET 30 HB2 MET 30 19.093 1.678 -3.353 212 2HB MET 30 HB1 MET 30 19.871 1.077 -4.818 213 1HG MET 30 HG2 MET 30 20.471 3.374 -4.427 214 2HG MET 30 HG1 MET 30 19.518 3.237 -5.899 215 1HE MET 30 HE1 MET 30 19.344 5.985 -5.615 216 2HE MET 30 HE2 MET 30 20.188 5.897 -4.087 217 3HE MET 30 HE3 MET 30 18.649 6.743 -4.192 218 H LEU 31 HN LEU 31 16.276 2.357 -6.681 219 HA LEU 31 HA LEU 31 16.881 0.487 -8.773 220 1HB LEU 31 HB2 LEU 31 14.622 1.486 -7.918 221 2HB LEU 31 HB1 LEU 31 15.004 2.786 -9.017 222 HG LEU 31 HG LEU 31 13.491 0.826 -9.754 223 1HD1 LEU 31 HD11 LEU 31 15.731 1.896 -11.456 224 2HD1 LEU 31 HD12 LEU 31 14.133 2.609 -11.216 225 3HD1 LEU 31 HD13 LEU 31 14.293 1.093 -12.081 226 1HD2 LEU 31 HD21 LEU 31 14.980 -0.983 -9.147 227 2HD2 LEU 31 HD22 LEU 31 16.221 -0.365 -10.234 228 3HD2 LEU 31 HD23 LEU 31 14.707 -0.992 -10.888 229 H ASP 32 HN ASP 32 17.528 3.794 -7.960 230 HA ASP 32 HA ASP 32 19.051 4.089 -10.448 231 1HB ASP 32 HB2 ASP 32 16.782 5.246 -10.548 232 2HB ASP 32 HB1 ASP 32 17.365 6.290 -9.252 233 H ASP 33 HN ASP 33 21.010 5.237 -10.133 234 HA ASP 33 HA ASP 33 21.893 5.130 -7.385 235 1HB ASP 33 HB2 ASP 33 24.126 5.696 -8.263 236 2HB ASP 33 HB1 ASP 33 23.385 4.415 -9.216 237 H TYR 34 HN TYR 34 22.688 6.816 -6.123 238 HA TYR 34 HA TYR 34 22.310 9.557 -6.975 239 1HB TYR 34 HB2 TYR 34 20.020 8.714 -6.365 240 2HB TYR 34 HB1 TYR 34 20.605 8.483 -4.725 241 HD1 TYR 34 HD1 TYR 34 19.701 10.062 -3.324 242 HD2 TYR 34 HD2 TYR 34 20.964 11.253 -7.208 243 HE1 TYR 34 HE1 TYR 34 19.128 12.389 -2.781 244 HE2 TYR 34 HE2 TYR 34 20.390 13.582 -6.689 245 HH TYR 34 HH TYR 34 18.984 14.851 -5.200 246 H GLU 35 HN GLU 35 24.199 10.327 -6.319 247 HA GLU 35 HA GLU 35 25.906 10.941 -5.047 248 1HB GLU 35 HB2 GLU 35 23.901 10.830 -2.803 249 2HB GLU 35 HB1 GLU 35 25.397 11.744 -2.813 250 1HG GLU 35 HG2 GLU 35 22.904 12.227 -4.411 251 2HG GLU 35 HG1 GLU 35 23.711 13.303 -3.262 252 H GLU 36 HN GLU 36 25.070 9.619 -2.040 253 HA GLU 36 HA GLU 36 27.375 8.001 -1.993 254 1HB GLU 36 HB2 GLU 36 25.128 8.337 -0.028 255 2HB GLU 36 HB1 GLU 36 26.508 7.297 0.273 256 1HG GLU 36 HG2 GLU 36 28.012 9.186 0.097 257 2HG GLU 36 HG1 GLU 36 26.654 10.253 -0.274 258 H ILE 37 HN ILE 37 24.042 7.382 -2.698 259 HA ILE 37 HA ILE 37 24.437 4.504 -2.260 260 HB ILE 37 HB ILE 37 21.847 5.866 -2.935 261 1HG1 ILE 37 HG12 ILE 37 22.701 6.887 -0.888 262 2HG1 ILE 37 HG11 ILE 37 21.367 5.817 -0.483 263 1HG2 ILE 37 HG21 ILE 37 22.489 3.224 -1.658 264 2HG2 ILE 37 HG22 ILE 37 21.897 3.472 -3.297 265 3HG2 ILE 37 HG23 ILE 37 20.865 3.859 -1.915 266 1HD1 ILE 37 HD11 ILE 37 24.300 5.207 -0.151 267 2HD1 ILE 37 HD12 ILE 37 22.965 4.105 0.206 268 3HD1 ILE 37 HD13 ILE 37 23.144 5.596 1.132 269 H SER 38 HN SER 38 23.988 3.003 -3.958 270 HA SER 38 HA SER 38 23.956 4.188 -6.648 271 1HB SER 38 HB2 SER 38 25.686 1.894 -5.687 272 2HB SER 38 HB1 SER 38 25.522 2.413 -7.373 273 HG SER 38 HG SER 38 26.845 3.640 -5.235 274 H ALA 39 HN ALA 39 23.311 2.486 -8.319 275 HA ALA 39 HA ALA 39 20.823 1.433 -7.519 276 1HB ALA 39 HB1 ALA 39 22.365 0.948 -10.059 277 2HB ALA 39 HB2 ALA 39 21.212 2.267 -9.770 278 3HB ALA 39 HB3 ALA 39 20.654 0.593 -9.799 279 H GLY 40 HN GLY 40 20.190 -0.603 -7.035 280 1HA GLY 40 HA2 GLY 40 20.459 -2.983 -7.038 281 2HA GLY 40 HA1 GLY 40 22.185 -2.761 -7.204 282 H ASP 41 HN ASP 41 21.798 -0.578 -5.035 283 HA ASP 41 HA ASP 41 22.513 -2.169 -2.820 284 1HB ASP 41 HB2 ASP 41 22.955 0.384 -3.348 285 2HB ASP 41 HB1 ASP 41 21.460 0.615 -2.469 286 H GLU 42 HN GLU 42 21.321 -2.768 -1.024 287 HA GLU 42 HA GLU 42 18.401 -2.451 -1.265 288 1HB GLU 42 HB2 GLU 42 19.947 -4.840 -0.205 289 2HB GLU 42 HB1 GLU 42 18.194 -4.683 -0.210 290 1HG GLU 42 HG2 GLU 42 18.262 -4.508 -2.681 291 2HG GLU 42 HG1 GLU 42 20.001 -4.821 -2.593 292 H GLY 43 HN GLY 43 17.241 -2.229 0.689 293 1HA GLY 43 HA2 GLY 43 18.674 -1.924 3.171 294 2HA GLY 43 HA1 GLY 43 18.162 -0.391 2.453 295 H GLU 44 HN GLU 44 17.001 -0.401 4.608 296 HA GLU 44 HA GLU 44 14.397 -1.738 4.276 297 1HB GLU 44 HB2 GLU 44 15.915 -2.692 6.106 298 2HB GLU 44 HB1 GLU 44 15.644 -1.169 6.950 299 1HG GLU 44 HG2 GLU 44 13.263 -1.592 7.046 300 2HG GLU 44 HG1 GLU 44 13.461 -3.071 6.094 301 H PHE 45 HN PHE 45 12.568 -0.538 4.901 302 HA PHE 45 HA PHE 45 13.010 2.345 4.678 303 1HB PHE 45 HB2 PHE 45 11.343 1.525 3.199 304 2HB PHE 45 HB1 PHE 45 10.566 0.562 4.461 305 HD1 PHE 45 HD1 PHE 45 11.317 4.112 3.535 306 HD2 PHE 45 HD2 PHE 45 8.710 1.396 5.522 307 HE1 PHE 45 HE1 PHE 45 9.700 5.930 3.930 308 HE2 PHE 45 HE2 PHE 45 7.122 3.223 5.918 309 HZ PHE 45 HZ PHE 45 7.611 5.496 5.134 310 H ARG 46 HN ARG 46 13.141 3.577 6.437 311 HA ARG 46 HA ARG 46 12.315 2.537 9.000 312 1HB ARG 46 HB2 ARG 46 13.743 5.078 8.182 313 2HB ARG 46 HB1 ARG 46 13.319 4.696 9.853 314 1HG ARG 46 HG2 ARG 46 15.039 2.977 8.095 315 2HG ARG 46 HG1 ARG 46 15.634 4.155 9.268 316 1HD ARG 46 HD2 ARG 46 14.857 2.935 11.087 317 2HD ARG 46 HD1 ARG 46 13.702 2.033 10.104 318 HE ARG 46 HE ARG 46 16.621 1.591 10.041 319 1HH1 ARG 46 HH11 ARG 46 13.315 0.475 9.890 320 2HH1 ARG 46 HH12 ARG 46 13.742 -1.195 9.647 321 1HH2 ARG 46 HH21 ARG 46 17.202 -0.625 9.717 322 2HH2 ARG 46 HH22 ARG 46 15.939 -1.802 9.549 323 H GLN 47 HN GLN 47 11.579 5.422 7.078 324 HA GLN 47 HA GLN 47 8.918 5.623 7.797 325 1HB GLN 47 HB2 GLN 47 8.945 7.468 9.453 326 2HB GLN 47 HB1 GLN 47 9.626 5.998 10.089 327 1HG GLN 47 HG2 GLN 47 11.134 7.528 10.850 328 2HG GLN 47 HG1 GLN 47 11.898 7.070 9.341 329 1HE2 GLN 47 HE21 GLN 47 9.092 9.158 9.718 330 2HE2 GLN 47 HE22 GLN 47 9.860 10.589 9.152 331 H SER 48 HN SER 48 8.056 7.922 7.495 332 HA SER 48 HA SER 48 9.654 9.481 5.636 333 1HB SER 48 HB2 SER 48 7.638 9.573 4.071 334 2HB SER 48 HB1 SER 48 8.539 8.050 4.083 335 HG SER 48 HG SER 48 6.615 7.987 5.967 336 H ASN 49 HN ASN 49 8.263 11.562 5.063 337 HA ASN 49 HA ASN 49 6.910 12.310 7.574 338 1HB ASN 49 HB2 ASN 49 8.524 14.060 5.709 339 2HB ASN 49 HB1 ASN 49 7.640 14.635 7.123 340 1HD2 ASN 49 HD21 ASN 49 10.458 13.015 5.966 341 2HD2 ASN 49 HD22 ASN 49 11.276 12.902 7.505 342 H ASN 50 HN ASN 50 4.830 12.140 7.157 343 HA ASN 50 HA ASN 50 2.767 12.550 6.336 344 1HB ASN 50 HB2 ASN 50 4.144 15.085 5.397 345 2HB ASN 50 HB1 ASN 50 2.395 14.810 5.290 346 1HD2 ASN 50 HD21 ASN 50 1.976 16.559 6.678 347 2HD2 ASN 50 HD22 ASN 50 2.277 16.462 8.377 348 H GLY 51 HN GLY 51 4.091 14.334 3.641 349 1HA GLY 51 HA2 GLY 51 3.810 12.043 1.855 350 2HA GLY 51 HA1 GLY 51 2.712 13.394 1.610 351 H VAL 52 HN VAL 52 6.092 13.566 2.612 352 HA VAL 52 HA VAL 52 6.598 15.374 0.378 353 HB VAL 52 HB VAL 52 8.696 15.926 1.512 354 1HG1 VAL 52 HG11 VAL 52 7.740 16.955 3.510 355 2HG1 VAL 52 HG12 VAL 52 6.289 15.954 3.325 356 3HG1 VAL 52 HG13 VAL 52 6.710 17.163 2.111 357 1HG2 VAL 52 HG21 VAL 52 7.835 13.917 3.591 358 2HG2 VAL 52 HG22 VAL 52 9.210 14.993 3.711 359 3HG2 VAL 52 HG23 VAL 52 9.202 13.748 2.475 360 HA PRO 53 HA PRO 53 8.943 12.595 -2.139 361 1HB PRO 53 HB2 PRO 53 11.049 14.644 -2.300 362 2HB PRO 53 HB1 PRO 53 10.110 13.879 -3.591 363 1HG PRO 53 HG2 PRO 53 9.679 16.418 -2.758 364 2HG PRO 53 HG1 PRO 53 8.395 15.414 -3.455 365 1HD PRO 53 HD2 PRO 53 8.869 16.238 -0.649 366 2HD PRO 53 HD1 PRO 53 7.349 15.774 -1.456 367 HA PRO 54 HA PRO 54 13.163 12.473 0.271 368 1HB PRO 54 HB2 PRO 54 13.145 13.705 2.724 369 2HB PRO 54 HB1 PRO 54 13.816 14.415 1.250 370 1HG PRO 54 HG2 PRO 54 11.142 14.837 2.518 371 2HG PRO 54 HG1 PRO 54 12.236 16.039 1.809 372 1HD PRO 54 HD2 PRO 54 10.095 15.154 0.461 373 2HD PRO 54 HD1 PRO 54 11.631 15.489 -0.371 374 H VAL 55 HN VAL 55 13.395 10.611 1.234 375 HA VAL 55 HA VAL 55 11.486 9.770 3.307 376 HB VAL 55 HB VAL 55 10.695 8.685 1.292 377 1HG1 VAL 55 HG11 VAL 55 12.123 7.155 -0.024 378 2HG1 VAL 55 HG12 VAL 55 13.509 7.664 0.934 379 3HG1 VAL 55 HG13 VAL 55 12.676 8.818 -0.094 380 1HG2 VAL 55 HG21 VAL 55 12.256 6.770 3.016 381 2HG2 VAL 55 HG22 VAL 55 10.977 6.310 1.905 382 3HG2 VAL 55 HG23 VAL 55 10.602 7.325 3.302 383 H GLN 56 HN GLN 56 12.394 8.489 4.930 384 HA GLN 56 HA GLN 56 15.310 8.561 4.927 385 1HB GLN 56 HB2 GLN 56 14.161 9.649 6.828 386 2HB GLN 56 HB1 GLN 56 13.433 8.099 7.251 387 1HG GLN 56 HG2 GLN 56 15.356 8.631 8.649 388 2HG GLN 56 HG1 GLN 56 15.613 7.157 7.705 389 1HE2 GLN 56 HE21 GLN 56 16.536 10.484 8.144 390 2HE2 GLN 56 HE22 GLN 56 17.942 10.431 7.119 391 H VAL 57 HN VAL 57 16.257 6.777 4.222 392 HA VAL 57 HA VAL 57 15.099 4.173 4.894 393 HB VAL 57 HB VAL 57 16.369 5.041 2.295 394 1HG1 VAL 57 HG11 VAL 57 15.442 2.278 3.123 395 2HG1 VAL 57 HG12 VAL 57 17.119 2.776 2.896 396 3HG1 VAL 57 HG13 VAL 57 16.012 2.733 1.520 397 1HG2 VAL 57 HG21 VAL 57 14.031 5.680 2.501 398 2HG2 VAL 57 HG22 VAL 57 13.607 4.025 2.925 399 3HG2 VAL 57 HG23 VAL 57 14.206 4.396 1.308 400 H PHE 58 HN PHE 58 16.514 2.665 5.640 401 HA PHE 58 HA PHE 58 19.311 3.518 5.948 402 1HB PHE 58 HB2 PHE 58 18.000 2.720 7.984 403 2HB PHE 58 HB1 PHE 58 17.954 1.120 7.237 404 HD1 PHE 58 HD1 PHE 58 20.059 -0.146 6.921 405 HD2 PHE 58 HD2 PHE 58 19.966 3.525 9.071 406 HE1 PHE 58 HE1 PHE 58 22.244 -0.680 7.905 407 HE2 PHE 58 HE2 PHE 58 22.148 2.994 10.065 408 HZ PHE 58 HZ PHE 58 23.283 0.896 9.486 409 H TRP 59 HN TRP 59 20.803 2.654 4.696 410 HA TRP 59 HA TRP 59 19.943 0.535 2.862 411 1HB TRP 59 HB2 TRP 59 22.231 2.496 2.685 412 2HB TRP 59 HB1 TRP 59 21.960 1.212 1.514 413 HD1 TRP 59 HD1 TRP 59 20.880 4.706 2.352 414 HE1 TRP 59 HE1 TRP 59 19.025 5.456 0.726 415 HE3 TRP 59 HE3 TRP 59 19.777 0.207 0.210 416 HZ2 TRP 59 HZ2 TRP 59 17.301 4.300 -1.146 417 HZ3 TRP 59 HZ3 TRP 59 17.983 0.103 -1.476 418 HH2 TRP 59 HH2 TRP 59 16.783 2.119 -2.134 419 H GLU 60 HN GLU 60 20.484 -1.444 3.292 420 HA GLU 60 HA GLU 60 22.119 -1.981 5.572 421 1HB GLU 60 HB2 GLU 60 20.678 -3.828 3.681 422 2HB GLU 60 HB1 GLU 60 21.419 -4.308 5.200 423 1HG GLU 60 HG2 GLU 60 19.862 -2.885 6.438 424 2HG GLU 60 HG1 GLU 60 19.151 -2.337 4.918 425 H SER 61 HN SER 61 22.661 -1.827 2.214 426 HA SER 61 HA SER 61 24.775 -3.766 2.160 427 1HB SER 61 HB2 SER 61 23.391 -3.304 0.164 428 2HB SER 61 HB1 SER 61 24.038 -1.681 0.103 429 HG SER 61 HG SER 61 25.201 -2.925 -1.309 430 H THR 62 HN THR 62 24.445 -0.351 2.764 431 HA THR 62 HA THR 62 27.354 -0.034 2.740 432 HB THR 62 HB THR 62 26.632 2.445 3.148 433 HG1 THR 62 HG1 THR 62 24.359 1.944 1.677 434 1HG2 THR 62 HG21 THR 62 26.459 2.840 0.748 435 2HG2 THR 62 HG22 THR 62 26.155 1.127 0.492 436 3HG2 THR 62 HG23 THR 62 27.718 1.657 1.104 437 H GLY 63 HN GLY 63 24.488 0.635 4.717 438 1HA GLY 63 HA2 GLY 63 24.511 0.281 7.122 439 2HA GLY 63 HA1 GLY 63 26.238 0.670 7.109 440 H ARG 64 HN ARG 64 24.279 2.573 5.081 441 HA ARG 64 HA ARG 64 24.465 4.827 6.979 442 1HB ARG 64 HB2 ARG 64 24.510 4.854 3.956 443 2HB ARG 64 HB1 ARG 64 24.577 6.281 4.985 444 1HG ARG 64 HG2 ARG 64 26.649 4.178 5.389 445 2HG ARG 64 HG1 ARG 64 26.728 5.168 3.929 446 1HD ARG 64 HD2 ARG 64 26.521 6.306 6.695 447 2HD ARG 64 HD1 ARG 64 28.039 6.061 5.850 448 HE ARG 64 HE ARG 64 26.960 7.573 4.082 449 1HH1 ARG 64 HH11 ARG 64 26.451 7.846 7.541 450 2HH1 ARG 64 HH12 ARG 64 26.063 9.534 7.461 451 1HH2 ARG 64 HH21 ARG 64 26.497 9.783 3.981 452 2HH2 ARG 64 HH22 ARG 64 26.123 10.654 5.439 453 H THR 65 HN THR 65 22.566 5.877 7.509 454 HA THR 65 HA THR 65 20.162 5.302 5.995 455 HB THR 65 HB THR 65 19.834 7.544 7.753 456 HG1 THR 65 HG1 THR 65 20.424 6.058 9.695 457 1HG2 THR 65 HG21 THR 65 18.075 5.931 7.182 458 2HG2 THR 65 HG22 THR 65 18.311 5.991 8.914 459 3HG2 THR 65 HG23 THR 65 18.964 4.645 7.987 460 H TYR 66 HN TYR 66 19.123 6.736 4.641 461 HA TYR 66 HA TYR 66 20.319 9.322 4.096 462 1HB TYR 66 HB2 TYR 66 21.740 7.714 2.823 463 2HB TYR 66 HB1 TYR 66 20.316 7.206 1.910 464 HD1 TYR 66 HD1 TYR 66 19.666 8.401 0.004 465 HD2 TYR 66 HD2 TYR 66 22.465 10.153 2.695 466 HE1 TYR 66 HE1 TYR 66 20.075 10.222 -1.613 467 HE2 TYR 66 HE2 TYR 66 22.848 11.977 1.095 468 HH TYR 66 HH TYR 66 20.869 12.648 -1.500 469 H TRP 67 HN TRP 67 18.982 10.661 2.847 470 HA TRP 67 HA TRP 67 16.203 9.787 2.708 471 1HB TRP 67 HB2 TRP 67 16.399 12.476 1.879 472 2HB TRP 67 HB1 TRP 67 15.806 11.868 3.430 473 HD1 TRP 67 HD1 TRP 67 17.406 12.115 5.522 474 HE1 TRP 67 HE1 TRP 67 19.548 13.474 5.941 475 HE3 TRP 67 HE3 TRP 67 18.532 13.319 0.678 476 HZ2 TRP 67 HZ2 TRP 67 21.474 14.869 4.405 477 HZ3 TRP 67 HZ3 TRP 67 20.556 14.668 0.255 478 HH2 TRP 67 HH2 TRP 67 21.980 15.433 2.085 479 H VAL 68 HN VAL 68 15.450 9.010 0.854 480 HA VAL 68 HA VAL 68 16.804 9.780 -1.641 481 HB VAL 68 HB VAL 68 15.040 7.356 -1.254 482 1HG1 VAL 68 HG11 VAL 68 15.493 7.814 -3.537 483 2HG1 VAL 68 HG12 VAL 68 16.503 6.442 -3.071 484 3HG1 VAL 68 HG13 VAL 68 17.215 8.051 -3.211 485 1HG2 VAL 68 HG21 VAL 68 17.010 6.025 -0.775 486 2HG2 VAL 68 HG22 VAL 68 16.790 7.254 0.459 487 3HG2 VAL 68 HG23 VAL 68 18.025 7.462 -0.788 488 H HIS 69 HN HIS 69 15.175 9.570 -3.593 489 HA HIS 69 HA HIS 69 12.597 10.742 -2.808 490 1HB HIS 69 HB2 HIS 69 14.116 10.831 -5.419 491 2HB HIS 69 HB1 HIS 69 12.443 11.388 -5.245 492 HD1 HIS 69 HD1 HIS 69 12.312 13.837 -4.933 493 HD2 HIS 69 HD2 HIS 69 15.811 12.284 -3.320 494 HE1 HIS 69 HE1 HIS 69 13.565 15.803 -3.997 495 HE2 HIS 69 HE2 HIS 69 15.644 14.817 -2.950 496 H TRP 70 HN TRP 70 10.697 9.816 -3.378 497 HA TRP 70 HA TRP 70 10.577 7.053 -3.416 498 1HB TRP 70 HB2 TRP 70 8.458 8.988 -4.350 499 2HB TRP 70 HB1 TRP 70 8.189 7.299 -3.915 500 HD1 TRP 70 HD1 TRP 70 8.454 10.748 -2.485 501 HE1 TRP 70 HE1 TRP 70 8.063 10.673 0.065 502 HE3 TRP 70 HE3 TRP 70 8.644 5.694 -1.793 503 HZ2 TRP 70 HZ2 TRP 70 7.871 8.734 2.072 504 HZ3 TRP 70 HZ3 TRP 70 8.340 4.801 0.478 505 HH2 TRP 70 HH2 TRP 70 7.977 6.306 2.382 506 H HIS 71 HN HIS 71 10.624 9.238 -6.181 507 HA HIS 71 HA HIS 71 9.526 7.240 -7.921 508 1HB HIS 71 HB2 HIS 71 9.700 8.850 -9.712 509 2HB HIS 71 HB1 HIS 71 8.977 9.592 -8.270 510 HD1 HIS 71 HD1 HIS 71 9.949 11.588 -10.171 511 HD2 HIS 71 HD2 HIS 71 12.534 9.850 -7.410 512 HE1 HIS 71 HE1 HIS 71 11.861 13.184 -9.913 513 HE2 HIS 71 HE2 HIS 71 13.474 12.040 -8.377 514 H MET 72 HN MET 72 12.561 7.472 -6.664 515 HA MET 72 HA MET 72 13.646 6.162 -9.081 516 1HB MET 72 HB2 MET 72 15.859 6.941 -8.432 517 2HB MET 72 HB1 MET 72 14.752 8.302 -8.580 518 1HG MET 72 HG2 MET 72 14.469 8.218 -6.098 519 2HG MET 72 HG1 MET 72 15.756 7.007 -6.049 520 1HE MET 72 HE1 MET 72 18.280 7.531 -6.992 521 2HE MET 72 HE2 MET 72 18.745 9.107 -7.649 522 3HE MET 72 HE3 MET 72 17.546 8.122 -8.489 523 H LEU 73 HN LEU 73 12.276 5.181 -6.445 524 HA LEU 73 HA LEU 73 14.296 3.114 -5.906 525 1HB LEU 73 HB2 LEU 73 13.238 2.821 -3.679 526 2HB LEU 73 HB1 LEU 73 14.055 4.356 -3.894 527 HG LEU 73 HG LEU 73 11.670 5.241 -4.494 528 1HD1 LEU 73 HD11 LEU 73 10.525 3.079 -4.486 529 2HD1 LEU 73 HD12 LEU 73 9.886 4.134 -3.225 530 3HD1 LEU 73 HD13 LEU 73 10.998 2.831 -2.809 531 1HD2 LEU 73 HD21 LEU 73 12.548 4.579 -1.692 532 2HD2 LEU 73 HD22 LEU 73 11.315 5.784 -2.115 533 3HD2 LEU 73 HD23 LEU 73 12.992 5.998 -2.642 534 H GLU 74 HN GLU 74 13.686 1.014 -5.725 535 HA GLU 74 HA GLU 74 11.012 0.384 -6.784 536 1HB GLU 74 HB2 GLU 74 13.561 -0.591 -7.450 537 2HB GLU 74 HB1 GLU 74 12.761 -1.906 -6.595 538 1HG GLU 74 HG2 GLU 74 11.613 -0.435 -8.952 539 2HG GLU 74 HG1 GLU 74 12.449 -1.988 -9.032 540 H ILE 75 HN ILE 75 9.665 -0.993 -5.724 541 HA ILE 75 HA ILE 75 10.269 -1.319 -2.891 542 HB ILE 75 HB ILE 75 8.256 -0.133 -3.276 543 1HG1 ILE 75 HG12 ILE 75 8.269 -2.175 -1.602 544 2HG1 ILE 75 HG11 ILE 75 6.805 -1.239 -1.895 545 1HG2 ILE 75 HG21 ILE 75 7.396 -2.375 -5.073 546 2HG2 ILE 75 HG22 ILE 75 7.887 -0.766 -5.583 547 3HG2 ILE 75 HG23 ILE 75 6.416 -0.983 -4.623 548 1HD1 ILE 75 HD11 ILE 75 7.496 -3.883 -3.160 549 2HD1 ILE 75 HD12 ILE 75 6.021 -2.948 -3.449 550 3HD1 ILE 75 HD13 ILE 75 6.337 -3.615 -1.846 551 H LEU 76 HN LEU 76 10.900 -3.193 -2.133 552 HA LEU 76 HA LEU 76 10.501 -5.614 -3.726 553 1HB LEU 76 HB2 LEU 76 12.228 -5.098 -1.298 554 2HB LEU 76 HB1 LEU 76 12.135 -6.625 -2.142 555 HG LEU 76 HG LEU 76 13.132 -4.048 -3.352 556 1HD1 LEU 76 HD11 LEU 76 15.333 -5.048 -3.196 557 2HD1 LEU 76 HD12 LEU 76 14.671 -6.454 -2.362 558 3HD1 LEU 76 HD13 LEU 76 14.616 -4.852 -1.593 559 1HD2 LEU 76 HD21 LEU 76 13.915 -5.462 -5.153 560 2HD2 LEU 76 HD22 LEU 76 12.174 -5.590 -4.985 561 3HD2 LEU 76 HD23 LEU 76 13.199 -6.881 -4.384 562 H GLY 77 HN GLY 77 10.791 -5.335 -0.216 563 1HA GLY 77 HA2 GLY 77 8.369 -5.445 0.825 564 2HA GLY 77 HA1 GLY 77 8.411 -7.025 0.044 565 H PHE 78 HN PHE 78 8.071 -7.700 2.306 566 HA PHE 78 HA PHE 78 10.627 -8.546 3.358 567 1HB PHE 78 HB2 PHE 78 10.131 -7.903 5.678 568 2HB PHE 78 HB1 PHE 78 10.273 -6.487 4.648 569 HD1 PHE 78 HD1 PHE 78 8.073 -5.480 3.761 570 HD2 PHE 78 HD2 PHE 78 8.280 -8.155 7.070 571 HE1 PHE 78 HE1 PHE 78 5.913 -4.633 4.592 572 HE2 PHE 78 HE2 PHE 78 6.139 -7.296 7.908 573 HZ PHE 78 HZ PHE 78 4.941 -5.550 6.672 574 H GLU 79 HN GLU 79 8.889 -9.956 1.960 575 HA GLU 79 HA GLU 79 6.742 -11.079 3.524 576 1HB GLU 79 HB2 GLU 79 7.688 -12.084 0.838 577 2HB GLU 79 HB1 GLU 79 6.066 -12.117 1.518 578 1HG GLU 79 HG2 GLU 79 7.532 -9.664 0.573 579 2HG GLU 79 HG1 GLU 79 6.214 -10.481 -0.257 580 H GLU 80 HN GLU 80 8.918 -11.648 4.929 581 HA GLU 80 HA GLU 80 10.003 -13.311 6.026 582 1HB GLU 80 HB2 GLU 80 8.372 -15.152 4.245 583 2HB GLU 80 HB1 GLU 80 9.286 -15.637 5.674 584 1HG GLU 80 HG2 GLU 80 7.887 -14.259 7.083 585 2HG GLU 80 HG1 GLU 80 6.989 -13.692 5.668 Start of MODEL 17 1 H MET 4 HN MET 4 11.393 9.987 -19.581 2 HA MET 4 HA MET 4 12.436 7.496 -18.513 3 1HB MET 4 HB2 MET 4 13.087 8.801 -16.563 4 2HB MET 4 HB1 MET 4 13.609 9.601 -18.041 5 1HG MET 4 HG2 MET 4 11.737 11.139 -17.882 6 2HG MET 4 HG1 MET 4 11.194 10.351 -16.393 7 1HE MET 4 HE1 MET 4 14.151 11.172 -13.932 8 2HE MET 4 HE2 MET 4 13.980 9.715 -14.929 9 3HE MET 4 HE3 MET 4 12.575 10.398 -14.104 10 H ARG 5 HN ARG 5 11.730 7.507 -15.869 11 HA ARG 5 HA ARG 5 9.206 6.298 -15.911 12 1HB ARG 5 HB2 ARG 5 10.852 7.368 -13.630 13 2HB ARG 5 HB1 ARG 5 9.357 6.472 -13.402 14 1HG ARG 5 HG2 ARG 5 11.847 5.451 -14.734 15 2HG ARG 5 HG1 ARG 5 11.243 5.023 -13.127 16 1HD ARG 5 HD2 ARG 5 9.209 4.111 -14.155 17 2HD ARG 5 HD1 ARG 5 9.853 4.481 -15.759 18 HE ARG 5 HE ARG 5 11.436 2.746 -14.006 19 1HH1 ARG 5 HH11 ARG 5 9.319 3.053 -16.809 20 2HH1 ARG 5 HH12 ARG 5 9.749 1.486 -17.431 21 1HH2 ARG 5 HH21 ARG 5 11.977 0.707 -14.831 22 2HH2 ARG 5 HH22 ARG 5 11.251 0.148 -16.316 23 H SER 6 HN SER 6 10.136 9.610 -15.389 24 HA SER 6 HA SER 6 7.713 10.439 -14.148 25 1HB SER 6 HB2 SER 6 9.716 12.198 -15.575 26 2HB SER 6 HB1 SER 6 8.647 12.637 -14.228 27 HG SER 6 HG SER 6 10.210 12.097 -12.980 28 H GLU 7 HN GLU 7 7.896 9.184 -17.023 29 HA GLU 7 HA GLU 7 6.875 11.130 -18.822 30 1HB GLU 7 HB2 GLU 7 6.437 9.288 -20.310 31 2HB GLU 7 HB1 GLU 7 8.011 9.079 -19.546 32 1HG GLU 7 HG2 GLU 7 6.964 7.497 -17.955 33 2HG GLU 7 HG1 GLU 7 5.472 7.634 -18.855 34 H PHE 8 HN PHE 8 5.418 9.605 -16.209 35 HA PHE 8 HA PHE 8 2.757 9.473 -17.250 36 1HB PHE 8 HB2 PHE 8 3.886 9.455 -14.465 37 2HB PHE 8 HB1 PHE 8 2.152 9.451 -14.744 38 HD1 PHE 8 HD1 PHE 8 2.665 7.313 -13.266 39 HD2 PHE 8 HD2 PHE 8 3.612 7.715 -17.397 40 HE1 PHE 8 HE1 PHE 8 2.673 4.867 -13.502 41 HE2 PHE 8 HE2 PHE 8 3.611 5.277 -17.641 42 HZ PHE 8 HZ PHE 8 3.150 3.852 -15.684 43 H ALA 9 HN ALA 9 1.168 10.837 -15.478 44 HA ALA 9 HA ALA 9 0.941 13.331 -16.648 45 1HB ALA 9 HB1 ALA 9 -0.857 12.228 -15.374 46 2HB ALA 9 HB2 ALA 9 -0.598 13.898 -14.852 47 3HB ALA 9 HB3 ALA 9 0.008 12.567 -13.871 48 H SER 10 HN SER 10 2.353 12.614 -13.487 49 HA SER 10 HA SER 10 4.096 14.935 -13.888 50 1HB SER 10 HB2 SER 10 2.441 15.428 -12.130 51 2HB SER 10 HB1 SER 10 2.934 13.980 -11.242 52 HG SER 10 HG SER 10 4.712 16.096 -11.926 53 H GLY 11 HN GLY 11 3.855 11.628 -13.529 54 1HA GLY 11 HA2 GLY 11 5.576 10.025 -13.450 55 2HA GLY 11 HA1 GLY 11 6.709 11.321 -13.020 56 H ASN 12 HN ASN 12 4.432 12.028 -11.012 57 HA ASN 12 HA ASN 12 5.761 10.999 -8.755 58 1HB ASN 12 HB2 ASN 12 4.128 12.187 -7.445 59 2HB ASN 12 HB1 ASN 12 4.654 13.211 -8.784 60 1HD2 ASN 12 HD21 ASN 12 2.210 13.155 -7.134 61 2HD2 ASN 12 HD22 ASN 12 0.896 13.096 -8.270 62 H THR 13 HN THR 13 3.039 9.861 -10.612 63 HA THR 13 HA THR 13 1.537 8.550 -8.801 64 HB THR 13 HB THR 13 2.209 7.349 -11.483 65 HG1 THR 13 HG1 THR 13 0.754 8.899 -12.369 66 1HG2 THR 13 HG21 THR 13 -0.361 7.615 -9.902 67 2HG2 THR 13 HG22 THR 13 0.614 6.157 -10.070 68 3HG2 THR 13 HG23 THR 13 -0.193 6.844 -11.473 69 H TYR 14 HN TYR 14 4.597 7.447 -10.176 70 HA TYR 14 HA TYR 14 4.606 4.856 -9.175 71 1HB TYR 14 HB2 TYR 14 6.880 6.792 -9.617 72 2HB TYR 14 HB1 TYR 14 7.130 5.122 -9.124 73 HD1 TYR 14 HD1 TYR 14 6.072 7.323 -11.886 74 HD2 TYR 14 HD2 TYR 14 6.815 3.321 -10.654 75 HE1 TYR 14 HE1 TYR 14 6.041 6.604 -14.225 76 HE2 TYR 14 HE2 TYR 14 6.797 2.573 -13.007 77 HH TYR 14 HH TYR 14 6.949 4.719 -15.616 78 H ALA 15 HN ALA 15 5.899 7.813 -7.801 79 HA ALA 15 HA ALA 15 6.754 6.811 -5.333 80 1HB ALA 15 HB1 ALA 15 5.918 9.615 -6.053 81 2HB ALA 15 HB2 ALA 15 7.531 8.931 -6.263 82 3HB ALA 15 HB3 ALA 15 6.872 9.149 -4.643 83 H LEU 16 HN LEU 16 3.645 7.972 -6.441 84 HA LEU 16 HA LEU 16 2.512 8.190 -3.837 85 1HB LEU 16 HB2 LEU 16 1.685 9.480 -5.766 86 2HB LEU 16 HB1 LEU 16 1.189 7.982 -6.539 87 HG LEU 16 HG LEU 16 -0.396 7.605 -4.632 88 1HD1 LEU 16 HD11 LEU 16 0.424 10.394 -3.884 89 2HD1 LEU 16 HD12 LEU 16 0.742 8.938 -2.950 90 3HD1 LEU 16 HD13 LEU 16 -0.906 9.505 -3.174 91 1HD2 LEU 16 HD21 LEU 16 -1.997 9.375 -5.346 92 2HD2 LEU 16 HD22 LEU 16 -1.242 8.516 -6.688 93 3HD2 LEU 16 HD23 LEU 16 -0.688 10.136 -6.247 94 H TYR 17 HN TYR 17 2.315 5.820 -6.473 95 HA TYR 17 HA TYR 17 0.483 4.089 -5.270 96 1HB TYR 17 HB2 TYR 17 0.920 3.948 -7.652 97 2HB TYR 17 HB1 TYR 17 2.617 3.555 -7.353 98 HD1 TYR 17 HD1 TYR 17 -0.808 2.254 -6.655 99 HD2 TYR 17 HD2 TYR 17 3.271 1.312 -7.333 100 HE1 TYR 17 HE1 TYR 17 -1.377 -0.119 -6.691 101 HE2 TYR 17 HE2 TYR 17 2.738 -1.068 -7.360 102 HH TYR 17 HH TYR 17 1.005 -2.568 -6.521 103 H VAL 18 HN VAL 18 4.009 3.823 -5.460 104 HA VAL 18 HA VAL 18 4.299 1.497 -3.994 105 HB VAL 18 HB VAL 18 6.586 2.148 -3.460 106 1HG1 VAL 18 HG11 VAL 18 6.122 1.238 -5.651 107 2HG1 VAL 18 HG12 VAL 18 7.351 2.494 -5.765 108 3HG1 VAL 18 HG13 VAL 18 5.695 2.849 -6.259 109 1HG2 VAL 18 HG21 VAL 18 7.457 4.319 -4.125 110 2HG2 VAL 18 HG22 VAL 18 6.195 4.507 -2.916 111 3HG2 VAL 18 HG23 VAL 18 5.848 4.839 -4.621 112 H ARG 19 HN ARG 19 3.721 4.704 -2.726 113 HA ARG 19 HA ARG 19 4.413 4.383 -0.094 114 1HB ARG 19 HB2 ARG 19 2.229 5.945 -1.403 115 2HB ARG 19 HB1 ARG 19 2.454 5.975 0.335 116 1HG ARG 19 HG2 ARG 19 4.738 6.778 0.015 117 2HG ARG 19 HG1 ARG 19 4.478 6.817 -1.727 118 1HD ARG 19 HD2 ARG 19 4.172 9.011 -0.530 119 2HD ARG 19 HD1 ARG 19 2.796 8.488 -1.506 120 HE ARG 19 HE ARG 19 2.633 7.642 1.232 121 1HH1 ARG 19 HH11 ARG 19 1.964 10.261 -0.999 122 2HH1 ARG 19 HH12 ARG 19 0.653 10.903 -0.055 123 1HH2 ARG 19 HH21 ARG 19 0.896 8.443 2.438 124 2HH2 ARG 19 HH22 ARG 19 0.056 9.870 1.895 125 H ASP 20 HN ASP 20 1.525 3.241 -1.745 126 HA ASP 20 HA ASP 20 0.080 2.663 0.645 127 1HB ASP 20 HB2 ASP 20 -0.353 2.179 -2.249 128 2HB ASP 20 HB1 ASP 20 -1.209 1.136 -1.136 129 H THR 21 HN THR 21 2.438 0.913 -1.209 130 HA THR 21 HA THR 21 1.818 -1.552 0.237 131 HB THR 21 HB THR 21 3.834 -1.334 -1.967 132 HG1 THR 21 HG1 THR 21 1.024 -1.762 -2.258 133 1HG2 THR 21 HG21 THR 21 1.990 -3.578 -1.107 134 2HG2 THR 21 HG22 THR 21 3.681 -3.421 -0.622 135 3HG2 THR 21 HG23 THR 21 3.256 -3.660 -2.320 136 H LEU 22 HN LEU 22 4.040 1.051 0.095 137 HA LEU 22 HA LEU 22 6.283 -0.300 1.276 138 1HB LEU 22 HB2 LEU 22 5.667 2.322 0.261 139 2HB LEU 22 HB1 LEU 22 6.520 2.442 1.790 140 HG LEU 22 HG LEU 22 8.087 2.538 -0.050 141 1HD1 LEU 22 HD11 LEU 22 8.231 -0.099 1.412 142 2HD1 LEU 22 HD12 LEU 22 8.803 1.454 2.007 143 3HD1 LEU 22 HD13 LEU 22 9.577 0.715 0.607 144 1HD2 LEU 22 HD21 LEU 22 8.415 0.638 -1.558 145 2HD2 LEU 22 HD22 LEU 22 6.800 1.320 -1.729 146 3HD2 LEU 22 HD23 LEU 22 7.025 -0.183 -0.836 147 H GLN 23 HN GLN 23 4.685 -1.220 3.003 148 HA GLN 23 HA GLN 23 4.135 0.481 5.223 149 1HB GLN 23 HB2 GLN 23 3.500 -1.544 6.380 150 2HB GLN 23 HB1 GLN 23 2.835 -1.586 4.749 151 1HG GLN 23 HG2 GLN 23 4.462 -3.155 4.043 152 2HG GLN 23 HG1 GLN 23 5.407 -2.947 5.516 153 1HE2 GLN 23 HE21 GLN 23 3.009 -2.898 7.175 154 2HE2 GLN 23 HE22 GLN 23 2.464 -4.538 7.297 155 HA PRO 24 HA PRO 24 7.920 0.246 7.592 156 1HB PRO 24 HB2 PRO 24 6.279 -0.843 9.817 157 2HB PRO 24 HB1 PRO 24 7.324 0.587 9.770 158 1HG PRO 24 HG2 PRO 24 4.662 0.834 9.772 159 2HG PRO 24 HG1 PRO 24 5.717 1.941 8.872 160 1HD PRO 24 HD2 PRO 24 3.990 -0.271 7.848 161 2HD PRO 24 HD1 PRO 24 4.405 1.285 7.116 162 H GLY 25 HN GLY 25 9.087 -1.422 6.752 163 1HA GLY 25 HA2 GLY 25 9.966 -3.610 7.665 164 2HA GLY 25 HA1 GLY 25 8.319 -4.175 7.492 165 H MET 26 HN MET 26 8.652 -2.122 5.018 166 HA MET 26 HA MET 26 9.204 -4.288 3.148 167 1HB MET 26 HB2 MET 26 8.249 -1.455 2.709 168 2HB MET 26 HB1 MET 26 8.513 -2.623 1.423 169 1HG MET 26 HG2 MET 26 6.540 -2.887 3.660 170 2HG MET 26 HG1 MET 26 6.182 -2.456 1.984 171 1HE MET 26 HE1 MET 26 4.652 -5.969 2.032 172 2HE MET 26 HE2 MET 26 4.433 -4.258 1.709 173 3HE MET 26 HE3 MET 26 4.639 -4.822 3.367 174 H ARG 27 HN ARG 27 11.253 -4.661 2.742 175 HA ARG 27 HA ARG 27 13.253 -2.622 2.676 176 1HB ARG 27 HB2 ARG 27 13.306 -5.454 1.700 177 2HB ARG 27 HB1 ARG 27 14.677 -4.376 1.541 178 1HG ARG 27 HG2 ARG 27 14.530 -4.055 4.058 179 2HG ARG 27 HG1 ARG 27 13.433 -5.442 4.038 180 1HD ARG 27 HD2 ARG 27 16.333 -5.333 3.273 181 2HD ARG 27 HD1 ARG 27 15.547 -6.349 4.489 182 HE ARG 27 HE ARG 27 14.441 -7.502 2.558 183 1HH1 ARG 27 HH11 ARG 27 17.533 -5.869 2.128 184 2HH1 ARG 27 HH12 ARG 27 17.908 -6.745 0.659 185 1HH2 ARG 27 HH21 ARG 27 14.960 -8.636 0.670 186 2HH2 ARG 27 HH22 ARG 27 16.463 -8.303 -0.147 187 H VAL 28 HN VAL 28 14.362 -1.785 0.945 188 HA VAL 28 HA VAL 28 12.878 -1.786 -1.613 189 HB VAL 28 HB VAL 28 13.431 0.604 -1.847 190 1HG1 VAL 28 HG11 VAL 28 11.875 1.471 -0.181 191 2HG1 VAL 28 HG12 VAL 28 11.988 -0.032 0.730 192 3HG1 VAL 28 HG13 VAL 28 11.275 -0.036 -0.885 193 1HG2 VAL 28 HG21 VAL 28 14.445 0.364 0.987 194 2HG2 VAL 28 HG22 VAL 28 14.292 1.866 0.054 195 3HG2 VAL 28 HG23 VAL 28 15.438 0.622 -0.446 196 H ARG 29 HN ARG 29 14.116 -1.290 -3.485 197 HA ARG 29 HA ARG 29 17.029 -1.513 -3.121 198 1HB ARG 29 HB2 ARG 29 16.145 -3.664 -3.907 199 2HB ARG 29 HB1 ARG 29 15.390 -2.843 -5.275 200 1HG ARG 29 HG2 ARG 29 17.529 -2.289 -6.220 201 2HG ARG 29 HG1 ARG 29 18.366 -2.875 -4.776 202 1HD ARG 29 HD2 ARG 29 18.454 -4.473 -6.641 203 2HD ARG 29 HD1 ARG 29 17.665 -5.116 -5.196 204 HE ARG 29 HE ARG 29 15.774 -4.011 -7.007 205 1HH1 ARG 29 HH11 ARG 29 17.797 -6.828 -6.469 206 2HH1 ARG 29 HH12 ARG 29 16.736 -7.894 -7.335 207 1HH2 ARG 29 HH21 ARG 29 14.386 -5.413 -8.153 208 2HH2 ARG 29 HH22 ARG 29 14.815 -7.096 -8.301 209 H MET 30 HN MET 30 18.242 -0.065 -4.115 210 HA MET 30 HA MET 30 16.953 2.189 -5.304 211 1HB MET 30 HB2 MET 30 18.988 2.238 -3.854 212 2HB MET 30 HB1 MET 30 19.900 1.554 -5.182 213 1HG MET 30 HG2 MET 30 20.303 3.893 -5.154 214 2HG MET 30 HG1 MET 30 19.262 3.529 -6.544 215 1HE MET 30 HE1 MET 30 18.859 6.199 -6.640 216 2HE MET 30 HE2 MET 30 19.777 6.464 -5.151 217 3HE MET 30 HE3 MET 30 18.147 7.111 -5.310 218 H LEU 31 HN LEU 31 16.420 2.435 -7.378 219 HA LEU 31 HA LEU 31 17.273 0.445 -9.297 220 1HB LEU 31 HB2 LEU 31 15.411 2.803 -9.551 221 2HB LEU 31 HB1 LEU 31 15.712 1.642 -10.826 222 HG LEU 31 HG LEU 31 14.537 0.953 -8.136 223 1HD1 LEU 31 HD11 LEU 31 13.054 2.381 -9.442 224 2HD1 LEU 31 HD12 LEU 31 12.438 0.732 -9.298 225 3HD1 LEU 31 HD13 LEU 31 13.174 1.262 -10.796 226 1HD2 LEU 31 HD21 LEU 31 14.853 -0.639 -10.677 227 2HD2 LEU 31 HD22 LEU 31 13.976 -1.170 -9.239 228 3HD2 LEU 31 HD23 LEU 31 15.721 -0.902 -9.156 229 H ASP 32 HN ASP 32 17.891 3.811 -8.638 230 HA ASP 32 HA ASP 32 19.682 3.911 -10.986 231 1HB ASP 32 HB2 ASP 32 17.610 5.283 -11.280 232 2HB ASP 32 HB1 ASP 32 18.075 6.228 -9.867 233 H ASP 33 HN ASP 33 21.536 5.424 -10.723 234 HA ASP 33 HA ASP 33 22.581 5.210 -8.022 235 1HB ASP 33 HB2 ASP 33 24.706 5.805 -8.920 236 2HB ASP 33 HB1 ASP 33 23.966 4.673 -10.055 237 H TYR 34 HN TYR 34 22.918 6.862 -6.625 238 HA TYR 34 HA TYR 34 22.579 9.603 -7.456 239 1HB TYR 34 HB2 TYR 34 20.237 8.781 -7.329 240 2HB TYR 34 HB1 TYR 34 20.522 8.362 -5.622 241 HD1 TYR 34 HD1 TYR 34 20.663 11.288 -7.955 242 HD2 TYR 34 HD2 TYR 34 20.022 9.930 -3.967 243 HE1 TYR 34 HE1 TYR 34 19.999 13.558 -7.295 244 HE2 TYR 34 HE2 TYR 34 19.329 12.178 -3.298 245 HH TYR 34 HH TYR 34 19.707 14.498 -4.057 246 H GLU 35 HN GLU 35 24.305 10.326 -6.495 247 HA GLU 35 HA GLU 35 25.639 11.175 -4.863 248 1HB GLU 35 HB2 GLU 35 23.330 10.459 -3.023 249 2HB GLU 35 HB1 GLU 35 24.706 11.487 -2.596 250 1HG GLU 35 HG2 GLU 35 22.713 12.104 -4.762 251 2HG GLU 35 HG1 GLU 35 22.668 12.764 -3.137 252 H GLU 36 HN GLU 36 24.810 9.573 -2.108 253 HA GLU 36 HA GLU 36 27.166 7.994 -2.101 254 1HB GLU 36 HB2 GLU 36 24.873 8.049 -0.148 255 2HB GLU 36 HB1 GLU 36 26.449 7.331 0.132 256 1HG GLU 36 HG2 GLU 36 27.534 9.442 0.080 257 2HG GLU 36 HG1 GLU 36 26.064 10.245 -0.479 258 H ILE 37 HN ILE 37 23.885 7.389 -2.949 259 HA ILE 37 HA ILE 37 24.201 4.495 -2.574 260 HB ILE 37 HB ILE 37 21.660 5.984 -3.278 261 1HG1 ILE 37 HG12 ILE 37 22.491 6.895 -1.159 262 2HG1 ILE 37 HG11 ILE 37 21.123 5.821 -0.840 263 1HG2 ILE 37 HG21 ILE 37 22.183 3.241 -2.144 264 2HG2 ILE 37 HG22 ILE 37 21.557 3.631 -3.738 265 3HG2 ILE 37 HG23 ILE 37 20.599 3.983 -2.305 266 1HD1 ILE 37 HD11 ILE 37 22.631 4.054 -0.143 267 2HD1 ILE 37 HD12 ILE 37 22.924 5.524 0.787 268 3HD1 ILE 37 HD13 ILE 37 24.023 5.073 -0.512 269 H SER 38 HN SER 38 23.660 3.029 -4.305 270 HA SER 38 HA SER 38 23.697 4.262 -6.967 271 1HB SER 38 HB2 SER 38 25.353 2.507 -7.685 272 2HB SER 38 HB1 SER 38 25.988 3.652 -6.477 273 HG SER 38 HG SER 38 24.932 1.724 -5.077 274 H ALA 39 HN ALA 39 23.281 2.444 -8.664 275 HA ALA 39 HA ALA 39 20.757 1.339 -8.093 276 1HB ALA 39 HB1 ALA 39 22.642 0.674 -10.355 277 2HB ALA 39 HB2 ALA 39 21.443 1.969 -10.347 278 3HB ALA 39 HB3 ALA 39 20.926 0.280 -10.295 279 H GLY 40 HN GLY 40 20.182 -0.562 -7.234 280 1HA GLY 40 HA2 GLY 40 20.490 -2.949 -7.033 281 2HA GLY 40 HA1 GLY 40 22.213 -2.691 -7.106 282 H ASP 41 HN ASP 41 21.810 -0.333 -5.181 283 HA ASP 41 HA ASP 41 22.439 -1.704 -2.819 284 1HB ASP 41 HB2 ASP 41 21.660 1.132 -3.416 285 2HB ASP 41 HB1 ASP 41 21.813 0.595 -1.741 286 H GLU 42 HN GLU 42 21.227 -2.370 -1.067 287 HA GLU 42 HA GLU 42 18.313 -2.188 -1.392 288 1HB GLU 42 HB2 GLU 42 19.992 -4.272 0.029 289 2HB GLU 42 HB1 GLU 42 18.223 -4.224 0.039 290 1HG GLU 42 HG2 GLU 42 18.194 -4.558 -2.362 291 2HG GLU 42 HG1 GLU 42 19.960 -4.533 -2.430 292 H GLY 43 HN GLY 43 17.047 -1.655 0.402 293 1HA GLY 43 HA2 GLY 43 18.409 -1.088 2.924 294 2HA GLY 43 HA1 GLY 43 17.736 0.304 2.082 295 H GLU 44 HN GLU 44 16.869 -0.093 4.534 296 HA GLU 44 HA GLU 44 14.241 -1.394 4.293 297 1HB GLU 44 HB2 GLU 44 15.692 -2.153 6.178 298 2HB GLU 44 HB1 GLU 44 15.742 -0.512 6.782 299 1HG GLU 44 HG2 GLU 44 14.145 -1.612 8.119 300 2HG GLU 44 HG1 GLU 44 13.211 -0.653 6.971 301 H PHE 45 HN PHE 45 12.404 -0.174 4.588 302 HA PHE 45 HA PHE 45 12.724 2.695 4.334 303 1HB PHE 45 HB2 PHE 45 11.084 1.807 2.894 304 2HB PHE 45 HB1 PHE 45 10.388 0.802 4.178 305 HD1 PHE 45 HD1 PHE 45 8.521 1.518 5.332 306 HD2 PHE 45 HD2 PHE 45 10.840 4.374 3.161 307 HE1 PHE 45 HE1 PHE 45 6.814 3.228 5.750 308 HE2 PHE 45 HE2 PHE 45 9.149 6.082 3.635 309 HZ PHE 45 HZ PHE 45 7.119 5.508 4.908 310 H ARG 46 HN ARG 46 12.876 3.963 6.165 311 HA ARG 46 HA ARG 46 11.811 2.935 8.642 312 1HB ARG 46 HB2 ARG 46 13.331 5.496 8.099 313 2HB ARG 46 HB1 ARG 46 12.986 4.819 9.688 314 1HG ARG 46 HG2 ARG 46 14.379 2.906 9.213 315 2HG ARG 46 HG1 ARG 46 14.665 3.464 7.564 316 1HD ARG 46 HD2 ARG 46 16.576 4.022 8.862 317 2HD ARG 46 HD1 ARG 46 15.697 5.516 8.502 318 HE ARG 46 HE ARG 46 14.909 5.518 10.796 319 1HH1 ARG 46 HH11 ARG 46 17.542 3.350 10.039 320 2HH1 ARG 46 HH12 ARG 46 18.058 3.169 11.686 321 1HH2 ARG 46 HH21 ARG 46 15.602 5.335 12.971 322 2HH2 ARG 46 HH22 ARG 46 16.980 4.353 13.359 323 H GLN 47 HN GLN 47 11.492 5.859 6.658 324 HA GLN 47 HA GLN 47 8.747 6.112 6.715 325 1HB GLN 47 HB2 GLN 47 8.129 7.684 8.360 326 2HB GLN 47 HB1 GLN 47 9.033 6.450 9.204 327 1HG GLN 47 HG2 GLN 47 10.260 9.038 8.338 328 2HG GLN 47 HG1 GLN 47 9.467 8.815 9.890 329 1HE2 GLN 47 HE21 GLN 47 12.264 8.208 7.998 330 2HE2 GLN 47 HE22 GLN 47 13.223 7.484 9.253 331 H SER 48 HN SER 48 8.065 8.492 6.249 332 HA SER 48 HA SER 48 10.152 9.695 4.553 333 1HB SER 48 HB2 SER 48 8.125 10.468 3.187 334 2HB SER 48 HB1 SER 48 8.535 8.749 3.087 335 HG SER 48 HG SER 48 6.320 8.952 3.451 336 H ASN 49 HN ASN 49 10.025 12.058 4.365 337 HA ASN 49 HA ASN 49 9.141 13.263 6.825 338 1HB ASN 49 HB2 ASN 49 10.479 14.491 4.395 339 2HB ASN 49 HB1 ASN 49 10.185 15.315 5.910 340 1HD2 ASN 49 HD21 ASN 49 12.692 14.768 4.538 341 2HD2 ASN 49 HD22 ASN 49 13.670 13.861 5.637 342 H ASN 50 HN ASN 50 7.140 13.957 7.080 343 HA ASN 50 HA ASN 50 5.124 14.924 6.771 344 1HB ASN 50 HB2 ASN 50 6.429 16.015 4.278 345 2HB ASN 50 HB1 ASN 50 4.761 16.393 4.720 346 1HD2 ASN 50 HD21 ASN 50 5.193 18.566 4.938 347 2HD2 ASN 50 HD22 ASN 50 6.095 19.203 6.275 348 H GLY 51 HN GLY 51 6.414 12.653 4.693 349 1HA GLY 51 HA2 GLY 51 5.254 10.782 3.932 350 2HA GLY 51 HA1 GLY 51 3.733 11.634 4.142 351 H VAL 52 HN VAL 52 6.425 13.101 2.514 352 HA VAL 52 HA VAL 52 4.966 12.865 -0.026 353 HB VAL 52 HB VAL 52 6.026 15.101 -0.591 354 1HG1 VAL 52 HG11 VAL 52 3.692 14.894 0.018 355 2HG1 VAL 52 HG12 VAL 52 4.380 16.373 0.707 356 3HG1 VAL 52 HG13 VAL 52 4.110 14.964 1.735 357 1HG2 VAL 52 HG21 VAL 52 6.804 16.483 1.249 358 2HG2 VAL 52 HG22 VAL 52 7.779 15.008 1.142 359 3HG2 VAL 52 HG23 VAL 52 6.542 15.150 2.381 360 HA PRO 53 HA PRO 53 8.385 11.654 -2.654 361 1HB PRO 53 HB2 PRO 53 9.810 14.160 -2.961 362 2HB PRO 53 HB1 PRO 53 8.940 13.212 -4.176 363 1HG PRO 53 HG2 PRO 53 8.045 15.531 -2.619 364 2HG PRO 53 HG1 PRO 53 7.355 14.830 -4.096 365 1HD PRO 53 HD2 PRO 53 6.091 14.665 -1.719 366 2HD PRO 53 HD1 PRO 53 5.983 13.364 -2.929 367 HA PRO 54 HA PRO 54 12.356 12.803 -0.039 368 1HB PRO 54 HB2 PRO 54 11.737 14.050 2.352 369 2HB PRO 54 HB1 PRO 54 12.429 14.860 0.936 370 1HG PRO 54 HG2 PRO 54 9.586 14.733 1.851 371 2HG PRO 54 HG1 PRO 54 10.484 16.088 1.143 372 1HD PRO 54 HD2 PRO 54 8.760 14.663 -0.312 373 2HD PRO 54 HD1 PRO 54 10.273 15.276 -1.014 374 H VAL 55 HN VAL 55 12.745 10.847 0.703 375 HA VAL 55 HA VAL 55 11.047 9.780 2.881 376 HB VAL 55 HB VAL 55 10.344 8.739 0.759 377 1HG1 VAL 55 HG11 VAL 55 12.380 8.818 -0.517 378 2HG1 VAL 55 HG12 VAL 55 11.832 7.149 -0.406 379 3HG1 VAL 55 HG13 VAL 55 13.170 7.719 0.600 380 1HG2 VAL 55 HG21 VAL 55 10.512 6.400 1.499 381 2HG2 VAL 55 HG22 VAL 55 10.103 7.505 2.808 382 3HG2 VAL 55 HG23 VAL 55 11.743 6.875 2.663 383 H GLN 56 HN GLN 56 12.168 8.624 4.467 384 HA GLN 56 HA GLN 56 15.073 8.817 4.233 385 1HB GLN 56 HB2 GLN 56 13.965 9.979 6.162 386 2HB GLN 56 HB1 GLN 56 13.418 8.399 6.736 387 1HG GLN 56 HG2 GLN 56 15.624 7.711 7.204 388 2HG GLN 56 HG1 GLN 56 16.298 9.028 6.247 389 1HE2 GLN 56 HE21 GLN 56 17.574 9.809 7.877 390 2HE2 GLN 56 HE22 GLN 56 16.930 10.614 9.275 391 H VAL 57 HN VAL 57 16.131 7.050 3.815 392 HA VAL 57 HA VAL 57 14.904 4.438 4.408 393 HB VAL 57 HB VAL 57 16.423 5.219 1.919 394 1HG1 VAL 57 HG11 VAL 57 16.881 2.921 2.531 395 2HG1 VAL 57 HG12 VAL 57 15.876 2.988 1.099 396 3HG1 VAL 57 HG13 VAL 57 15.155 2.561 2.653 397 1HG2 VAL 57 HG21 VAL 57 14.304 4.869 0.750 398 2HG2 VAL 57 HG22 VAL 57 14.137 6.115 1.985 399 3HG2 VAL 57 HG23 VAL 57 13.500 4.496 2.277 400 H PHE 58 HN PHE 58 16.164 3.052 5.438 401 HA PHE 58 HA PHE 58 18.940 3.745 5.986 402 1HB PHE 58 HB2 PHE 58 17.633 2.969 7.888 403 2HB PHE 58 HB1 PHE 58 17.175 1.500 7.021 404 HD1 PHE 58 HD1 PHE 58 20.155 3.322 8.290 405 HD2 PHE 58 HD2 PHE 58 18.415 -0.429 7.296 406 HE1 PHE 58 HE1 PHE 58 22.114 2.176 9.247 407 HE2 PHE 58 HE2 PHE 58 20.358 -1.592 8.242 408 HZ PHE 58 HZ PHE 58 22.201 -0.293 9.215 409 H TRP 59 HN TRP 59 20.523 2.996 4.776 410 HA TRP 59 HA TRP 59 19.845 0.907 2.825 411 1HB TRP 59 HB2 TRP 59 22.109 2.904 2.903 412 2HB TRP 59 HB1 TRP 59 21.922 1.661 1.657 413 HD1 TRP 59 HD1 TRP 59 20.736 5.111 2.558 414 HE1 TRP 59 HE1 TRP 59 19.007 5.899 0.829 415 HE3 TRP 59 HE3 TRP 59 19.928 0.696 0.055 416 HZ2 TRP 59 HZ2 TRP 59 17.524 4.865 -1.268 417 HZ3 TRP 59 HZ3 TRP 59 18.323 0.704 -1.814 418 HH2 TRP 59 HH2 TRP 59 17.152 2.745 -2.477 419 H GLU 60 HN GLU 60 20.451 -1.072 3.079 420 HA GLU 60 HA GLU 60 21.884 -1.852 5.392 421 1HB GLU 60 HB2 GLU 60 21.137 -3.557 3.012 422 2HB GLU 60 HB1 GLU 60 21.540 -4.128 4.616 423 1HG GLU 60 HG2 GLU 60 19.550 -2.905 5.482 424 2HG GLU 60 HG1 GLU 60 19.091 -2.592 3.791 425 H SER 61 HN SER 61 22.625 -1.916 1.956 426 HA SER 61 HA SER 61 25.071 -3.274 2.132 427 1HB SER 61 HB2 SER 61 25.418 -2.040 -0.152 428 2HB SER 61 HB1 SER 61 24.139 -3.241 0.025 429 HG SER 61 HG SER 61 23.767 -0.884 -0.835 430 H THR 62 HN THR 62 24.284 0.135 2.420 431 HA THR 62 HA THR 62 27.089 0.900 2.612 432 HB THR 62 HB THR 62 24.756 2.642 3.383 433 HG1 THR 62 HG1 THR 62 25.485 1.667 0.831 434 1HG2 THR 62 HG21 THR 62 27.402 3.187 1.993 435 2HG2 THR 62 HG22 THR 62 27.048 3.508 3.683 436 3HG2 THR 62 HG23 THR 62 26.190 4.402 2.443 437 H GLY 63 HN GLY 63 24.282 1.146 4.758 438 1HA GLY 63 HA2 GLY 63 24.381 0.241 7.043 439 2HA GLY 63 HA1 GLY 63 26.080 0.768 7.064 440 H ARG 64 HN ARG 64 24.060 2.955 5.478 441 HA ARG 64 HA ARG 64 23.677 4.524 7.931 442 1HB ARG 64 HB2 ARG 64 24.462 6.540 6.832 443 2HB ARG 64 HB1 ARG 64 25.719 5.325 6.753 444 1HG ARG 64 HG2 ARG 64 24.969 4.797 4.427 445 2HG ARG 64 HG1 ARG 64 23.904 6.199 4.540 446 1HD ARG 64 HD2 ARG 64 25.912 6.869 3.435 447 2HD ARG 64 HD1 ARG 64 25.894 7.609 5.029 448 HE ARG 64 HE ARG 64 27.307 5.357 5.472 449 1HH1 ARG 64 HH11 ARG 64 27.594 7.903 3.049 450 2HH1 ARG 64 HH12 ARG 64 29.316 7.664 2.848 451 1HH2 ARG 64 HH21 ARG 64 29.521 5.080 5.223 452 2HH2 ARG 64 HH22 ARG 64 30.407 6.069 4.099 453 H THR 65 HN THR 65 21.973 6.090 7.809 454 HA THR 65 HA THR 65 19.900 5.344 5.909 455 HB THR 65 HB THR 65 19.717 7.299 8.237 456 HG1 THR 65 HG1 THR 65 20.297 5.247 9.052 457 1HG2 THR 65 HG21 THR 65 17.315 6.797 8.103 458 2HG2 THR 65 HG22 THR 65 17.621 5.726 6.737 459 3HG2 THR 65 HG23 THR 65 17.914 7.459 6.588 460 H TYR 66 HN TYR 66 18.776 6.918 4.637 461 HA TYR 66 HA TYR 66 20.050 9.496 4.217 462 1HB TYR 66 HB2 TYR 66 21.471 7.972 2.933 463 2HB TYR 66 HB1 TYR 66 20.051 7.368 2.083 464 HD1 TYR 66 HD1 TYR 66 19.615 8.169 -0.026 465 HD2 TYR 66 HD2 TYR 66 21.736 10.630 2.748 466 HE1 TYR 66 HE1 TYR 66 19.852 9.908 -1.748 467 HE2 TYR 66 HE2 TYR 66 21.988 12.348 1.030 468 HH TYR 66 HH TYR 66 20.213 12.439 -1.784 469 H TRP 67 HN TRP 67 18.731 10.960 3.047 470 HA TRP 67 HA TRP 67 15.944 10.112 2.713 471 1HB TRP 67 HB2 TRP 67 17.142 12.858 2.338 472 2HB TRP 67 HB1 TRP 67 15.429 12.455 2.318 473 HD1 TRP 67 HD1 TRP 67 14.703 11.163 4.852 474 HE1 TRP 67 HE1 TRP 67 15.129 12.182 7.176 475 HE3 TRP 67 HE3 TRP 67 18.497 14.346 3.621 476 HZ2 TRP 67 HZ2 TRP 67 16.890 14.051 8.342 477 HZ3 TRP 67 HZ3 TRP 67 19.497 15.720 5.422 478 HH2 TRP 67 HH2 TRP 67 18.711 15.576 7.724 479 H VAL 68 HN VAL 68 15.295 9.347 0.784 480 HA VAL 68 HA VAL 68 16.643 10.342 -1.633 481 HB VAL 68 HB VAL 68 15.196 7.760 -1.700 482 1HG1 VAL 68 HG11 VAL 68 17.767 8.748 -2.922 483 2HG1 VAL 68 HG12 VAL 68 16.222 8.482 -3.743 484 3HG1 VAL 68 HG13 VAL 68 17.146 7.113 -3.121 485 1HG2 VAL 68 HG21 VAL 68 16.330 7.474 0.371 486 2HG2 VAL 68 HG22 VAL 68 17.849 8.043 -0.311 487 3HG2 VAL 68 HG23 VAL 68 17.161 6.504 -0.848 488 H HIS 69 HN HIS 69 15.001 9.739 -3.586 489 HA HIS 69 HA HIS 69 12.317 10.621 -2.737 490 1HB HIS 69 HB2 HIS 69 13.740 10.742 -5.381 491 2HB HIS 69 HB1 HIS 69 11.980 10.916 -5.267 492 HD1 HIS 69 HD1 HIS 69 14.431 13.097 -5.920 493 HD2 HIS 69 HD2 HIS 69 11.813 12.904 -2.683 494 HE1 HIS 69 HE1 HIS 69 14.340 15.440 -4.961 495 HE2 HIS 69 HE2 HIS 69 12.544 15.318 -3.188 496 H TRP 70 HN TRP 70 10.543 9.361 -3.113 497 HA TRP 70 HA TRP 70 10.695 6.659 -2.904 498 1HB TRP 70 HB2 TRP 70 8.481 8.268 -4.162 499 2HB TRP 70 HB1 TRP 70 8.331 6.571 -3.733 500 HD1 TRP 70 HD1 TRP 70 8.618 10.050 -2.135 501 HE1 TRP 70 HE1 TRP 70 7.795 9.881 0.313 502 HE3 TRP 70 HE3 TRP 70 8.036 4.997 -1.802 503 HZ2 TRP 70 HZ2 TRP 70 7.011 7.896 2.109 504 HZ3 TRP 70 HZ3 TRP 70 7.230 4.024 0.308 505 HH2 TRP 70 HH2 TRP 70 6.732 5.464 2.243 506 H HIS 71 HN HIS 71 10.587 8.429 -5.984 507 HA HIS 71 HA HIS 71 10.046 6.017 -7.465 508 1HB HIS 71 HB2 HIS 71 10.151 7.345 -9.473 509 2HB HIS 71 HB1 HIS 71 9.251 8.231 -8.267 510 HD1 HIS 71 HD1 HIS 71 9.860 10.616 -8.028 511 HD2 HIS 71 HD2 HIS 71 12.948 8.385 -9.723 512 HE1 HIS 71 HE1 HIS 71 11.641 12.269 -8.646 513 HE2 HIS 71 HE2 HIS 71 13.357 10.933 -9.896 514 H MET 72 HN MET 72 12.814 7.011 -5.985 515 HA MET 72 HA MET 72 14.673 6.034 -7.945 516 1HB MET 72 HB2 MET 72 14.829 7.024 -5.117 517 2HB MET 72 HB1 MET 72 16.156 6.047 -5.752 518 1HG MET 72 HG2 MET 72 16.679 8.372 -5.967 519 2HG MET 72 HG1 MET 72 16.463 7.665 -7.564 520 1HE MET 72 HE1 MET 72 16.553 10.771 -6.910 521 2HE MET 72 HE2 MET 72 15.260 11.352 -7.953 522 3HE MET 72 HE3 MET 72 16.356 10.125 -8.549 523 H LEU 73 HN LEU 73 12.761 4.695 -5.381 524 HA LEU 73 HA LEU 73 14.531 2.341 -5.270 525 1HB LEU 73 HB2 LEU 73 13.395 1.847 -3.100 526 2HB LEU 73 HB1 LEU 73 14.385 3.288 -3.123 527 HG LEU 73 HG LEU 73 12.128 4.528 -3.564 528 1HD1 LEU 73 HD11 LEU 73 10.760 2.546 -3.891 529 2HD1 LEU 73 HD12 LEU 73 10.197 3.482 -2.500 530 3HD1 LEU 73 HD13 LEU 73 11.139 2.001 -2.268 531 1HD2 LEU 73 HD21 LEU 73 12.882 3.351 -0.887 532 2HD2 LEU 73 HD22 LEU 73 11.793 4.718 -1.111 533 3HD2 LEU 73 HD23 LEU 73 13.486 4.843 -1.572 534 H GLU 74 HN GLU 74 13.792 0.323 -5.464 535 HA GLU 74 HA GLU 74 11.080 -0.049 -6.513 536 1HB GLU 74 HB2 GLU 74 12.892 -0.790 -7.979 537 2HB GLU 74 HB1 GLU 74 13.540 -1.798 -6.696 538 1HG GLU 74 HG2 GLU 74 11.595 -3.225 -6.753 539 2HG GLU 74 HG1 GLU 74 10.838 -2.178 -7.958 540 H ILE 75 HN ILE 75 9.725 -1.584 -5.584 541 HA ILE 75 HA ILE 75 10.353 -2.070 -2.784 542 HB ILE 75 HB ILE 75 8.250 -1.054 -3.036 543 1HG1 ILE 75 HG12 ILE 75 7.775 -4.021 -2.656 544 2HG1 ILE 75 HG11 ILE 75 8.338 -2.897 -1.409 545 1HG2 ILE 75 HG21 ILE 75 7.832 -1.425 -5.379 546 2HG2 ILE 75 HG22 ILE 75 6.438 -1.974 -4.434 547 3HG2 ILE 75 HG23 ILE 75 7.563 -3.160 -5.091 548 1HD1 ILE 75 HD11 ILE 75 5.697 -2.701 -2.810 549 2HD1 ILE 75 HD12 ILE 75 6.265 -1.698 -1.492 550 3HD1 ILE 75 HD13 ILE 75 5.939 -3.416 -1.219 551 H LEU 76 HN LEU 76 11.470 -3.871 -2.458 552 HA LEU 76 HA LEU 76 10.655 -6.348 -3.782 553 1HB LEU 76 HB2 LEU 76 12.972 -5.547 -2.030 554 2HB LEU 76 HB1 LEU 76 12.587 -7.226 -2.250 555 HG LEU 76 HG LEU 76 14.379 -6.642 -3.769 556 1HD1 LEU 76 HD11 LEU 76 12.756 -8.239 -4.604 557 2HD1 LEU 76 HD12 LEU 76 13.358 -7.232 -5.920 558 3HD1 LEU 76 HD13 LEU 76 11.768 -6.928 -5.238 559 1HD2 LEU 76 HD21 LEU 76 14.163 -4.909 -5.442 560 2HD2 LEU 76 HD22 LEU 76 13.900 -4.207 -3.851 561 3HD2 LEU 76 HD23 LEU 76 12.520 -4.541 -4.907 562 H GLY 77 HN GLY 77 10.675 -4.710 -0.699 563 1HA GLY 77 HA2 GLY 77 9.253 -4.881 1.068 564 2HA GLY 77 HA1 GLY 77 8.308 -6.035 0.126 565 H PHE 78 HN PHE 78 8.205 -6.730 2.503 566 HA PHE 78 HA PHE 78 9.862 -9.102 2.630 567 1HB PHE 78 HB2 PHE 78 11.027 -7.368 4.041 568 2HB PHE 78 HB1 PHE 78 9.596 -7.330 5.073 569 HD1 PHE 78 HD1 PHE 78 9.624 -8.587 6.980 570 HD2 PHE 78 HD2 PHE 78 11.963 -9.819 3.654 571 HE1 PHE 78 HE1 PHE 78 10.501 -10.444 8.312 572 HE2 PHE 78 HE2 PHE 78 12.871 -11.693 4.985 573 HZ PHE 78 HZ PHE 78 12.144 -11.992 7.318 574 H GLU 79 HN GLU 79 8.644 -10.782 3.074 575 HA GLU 79 HA GLU 79 6.917 -12.103 3.737 576 1HB GLU 79 HB2 GLU 79 6.129 -9.744 5.438 577 2HB GLU 79 HB1 GLU 79 5.346 -11.326 5.492 578 1HG GLU 79 HG2 GLU 79 7.493 -12.338 6.114 579 2HG GLU 79 HG1 GLU 79 8.240 -10.740 6.153 580 H GLU 80 HN GLU 80 6.362 -9.026 2.348 581 HA GLU 80 HA GLU 80 3.656 -9.468 1.549 582 1HB GLU 80 HB2 GLU 80 4.814 -7.219 1.639 583 2HB GLU 80 HB1 GLU 80 5.728 -7.702 0.220 584 1HG GLU 80 HG2 GLU 80 3.952 -6.324 -0.482 585 2HG GLU 80 HG1 GLU 80 3.593 -7.970 -1.006 Start of MODEL 18 1 H MET 4 HN MET 4 10.333 3.519 -14.852 2 HA MET 4 HA MET 4 11.305 6.239 -15.122 3 1HB MET 4 HB2 MET 4 9.602 4.825 -17.167 4 2HB MET 4 HB1 MET 4 9.709 6.579 -17.071 5 1HG MET 4 HG2 MET 4 12.018 4.699 -17.558 6 2HG MET 4 HG1 MET 4 11.172 5.645 -18.794 7 1HE MET 4 HE1 MET 4 14.661 7.414 -18.594 8 2HE MET 4 HE2 MET 4 13.460 6.687 -19.657 9 3HE MET 4 HE3 MET 4 14.305 5.691 -18.480 10 H ARG 5 HN ARG 5 9.911 7.795 -14.398 11 HA ARG 5 HA ARG 5 7.755 7.082 -12.711 12 1HB ARG 5 HB2 ARG 5 8.212 9.758 -14.083 13 2HB ARG 5 HB1 ARG 5 7.278 9.455 -12.625 14 1HG ARG 5 HG2 ARG 5 9.230 8.976 -11.371 15 2HG ARG 5 HG1 ARG 5 10.234 8.963 -12.819 16 1HD ARG 5 HD2 ARG 5 8.774 11.341 -11.698 17 2HD ARG 5 HD1 ARG 5 10.518 11.042 -11.620 18 HE ARG 5 HE ARG 5 9.230 11.181 -14.253 19 1HH1 ARG 5 HH11 ARG 5 11.280 12.693 -11.836 20 2HH1 ARG 5 HH12 ARG 5 12.021 13.780 -12.966 21 1HH2 ARG 5 HH21 ARG 5 10.184 12.662 -15.735 22 2HH2 ARG 5 HH22 ARG 5 11.372 13.799 -15.147 23 H SER 6 HN SER 6 8.010 7.876 -16.096 24 HA SER 6 HA SER 6 5.243 8.380 -16.539 25 1HB SER 6 HB2 SER 6 7.349 7.662 -18.583 26 2HB SER 6 HB1 SER 6 5.861 8.596 -18.844 27 HG SER 6 HG SER 6 7.409 10.108 -18.656 28 H GLU 7 HN GLU 7 6.557 5.566 -15.653 29 HA GLU 7 HA GLU 7 5.405 3.767 -17.573 30 1HB GLU 7 HB2 GLU 7 6.453 3.337 -14.768 31 2HB GLU 7 HB1 GLU 7 5.873 2.041 -15.807 32 1HG GLU 7 HG2 GLU 7 8.141 3.914 -16.491 33 2HG GLU 7 HG1 GLU 7 8.352 2.299 -15.803 34 H PHE 8 HN PHE 8 4.222 5.648 -15.056 35 HA PHE 8 HA PHE 8 1.690 4.172 -15.046 36 1HB PHE 8 HB2 PHE 8 2.787 6.211 -13.109 37 2HB PHE 8 HB1 PHE 8 1.126 5.618 -13.058 38 HD1 PHE 8 HD1 PHE 8 0.603 3.584 -11.982 39 HD2 PHE 8 HD2 PHE 8 4.655 4.548 -12.814 40 HE1 PHE 8 HE1 PHE 8 1.337 1.686 -10.605 41 HE2 PHE 8 HE2 PHE 8 5.407 2.655 -11.444 42 HZ PHE 8 HZ PHE 8 3.730 1.231 -10.341 43 H ALA 9 HN ALA 9 -0.211 5.875 -14.728 44 HA ALA 9 HA ALA 9 -0.436 6.958 -17.298 45 1HB ALA 9 HB1 ALA 9 -2.188 7.596 -14.945 46 2HB ALA 9 HB2 ALA 9 -2.328 6.135 -15.941 47 3HB ALA 9 HB3 ALA 9 -2.602 7.737 -16.645 48 H SER 10 HN SER 10 0.013 8.624 -14.171 49 HA SER 10 HA SER 10 0.176 11.162 -15.669 50 1HB SER 10 HB2 SER 10 -0.369 10.761 -12.724 51 2HB SER 10 HB1 SER 10 -0.519 12.264 -13.640 52 HG SER 10 HG SER 10 -2.085 10.859 -14.965 53 H GLY 11 HN GLY 11 2.282 8.975 -14.524 54 1HA GLY 11 HA2 GLY 11 4.590 9.199 -14.313 55 2HA GLY 11 HA1 GLY 11 4.381 10.938 -14.323 56 H ASN 12 HN ASN 12 3.036 11.653 -12.243 57 HA ASN 12 HA ASN 12 4.622 11.123 -9.969 58 1HB ASN 12 HB2 ASN 12 2.958 12.383 -8.687 59 2HB ASN 12 HB1 ASN 12 3.332 13.216 -10.201 60 1HD2 ASN 12 HD21 ASN 12 0.970 13.317 -8.445 61 2HD2 ASN 12 HD22 ASN 12 -0.381 12.955 -9.473 62 H THR 13 HN THR 13 1.823 9.654 -11.285 63 HA THR 13 HA THR 13 0.749 8.180 -9.228 64 HB THR 13 HB THR 13 1.230 6.906 -11.904 65 HG1 THR 13 HG1 THR 13 -0.647 8.990 -11.315 66 1HG2 THR 13 HG21 THR 13 -1.051 6.109 -11.611 67 2HG2 THR 13 HG22 THR 13 -1.162 6.963 -10.076 68 3HG2 THR 13 HG23 THR 13 -0.033 5.631 -10.252 69 H TYR 14 HN TYR 14 3.781 7.765 -10.865 70 HA TYR 14 HA TYR 14 4.465 5.159 -10.056 71 1HB TYR 14 HB2 TYR 14 5.657 6.359 -11.837 72 2HB TYR 14 HB1 TYR 14 6.202 7.565 -10.681 73 HD1 TYR 14 HD1 TYR 14 8.095 7.186 -9.286 74 HD2 TYR 14 HD2 TYR 14 6.644 4.090 -11.823 75 HE1 TYR 14 HE1 TYR 14 10.184 5.943 -8.960 76 HE2 TYR 14 HE2 TYR 14 8.740 2.843 -11.508 77 HH TYR 14 HH TYR 14 10.924 3.519 -9.076 78 H ALA 15 HN ALA 15 5.430 8.338 -8.721 79 HA ALA 15 HA ALA 15 6.550 7.368 -6.346 80 1HB ALA 15 HB1 ALA 15 5.369 10.090 -6.895 81 2HB ALA 15 HB2 ALA 15 7.018 9.580 -7.257 82 3HB ALA 15 HB3 ALA 15 6.483 9.671 -5.580 83 H LEU 16 HN LEU 16 3.254 7.953 -7.263 84 HA LEU 16 HA LEU 16 2.185 8.055 -4.648 85 1HB LEU 16 HB2 LEU 16 0.951 8.883 -6.573 86 2HB LEU 16 HB1 LEU 16 0.905 7.261 -7.262 87 HG LEU 16 HG LEU 16 -0.471 6.521 -5.328 88 1HD1 LEU 16 HD11 LEU 16 0.249 8.183 -3.698 89 2HD1 LEU 16 HD12 LEU 16 -1.505 8.187 -3.889 90 3HD1 LEU 16 HD13 LEU 16 -0.542 9.455 -4.648 91 1HD2 LEU 16 HD21 LEU 16 -1.576 8.832 -6.901 92 2HD2 LEU 16 HD22 LEU 16 -2.540 7.640 -6.018 93 3HD2 LEU 16 HD23 LEU 16 -1.566 7.132 -7.395 94 H TYR 17 HN TYR 17 2.705 5.486 -7.005 95 HA TYR 17 HA TYR 17 1.441 3.427 -5.650 96 1HB TYR 17 HB2 TYR 17 2.006 3.202 -7.986 97 2HB TYR 17 HB1 TYR 17 3.728 3.372 -7.608 98 HD1 TYR 17 HD1 TYR 17 5.029 1.483 -7.340 99 HD2 TYR 17 HD2 TYR 17 0.815 1.164 -6.881 100 HE1 TYR 17 HE1 TYR 17 5.241 -0.963 -7.096 101 HE2 TYR 17 HE2 TYR 17 0.998 -1.269 -6.675 102 HH TYR 17 HH TYR 17 2.495 -3.082 -7.135 103 H VAL 18 HN VAL 18 4.853 4.356 -5.665 104 HA VAL 18 HA VAL 18 5.711 2.371 -3.888 105 HB VAL 18 HB VAL 18 7.688 3.773 -3.437 106 1HG1 VAL 18 HG11 VAL 18 6.843 3.592 -6.323 107 2HG1 VAL 18 HG12 VAL 18 7.649 2.351 -5.386 108 3HG1 VAL 18 HG13 VAL 18 8.507 3.835 -5.761 109 1HG2 VAL 18 HG21 VAL 18 7.960 5.918 -4.621 110 2HG2 VAL 18 HG22 VAL 18 6.691 5.981 -3.404 111 3HG2 VAL 18 HG23 VAL 18 6.263 5.843 -5.109 112 H ARG 19 HN ARG 19 4.457 5.627 -3.220 113 HA ARG 19 HA ARG 19 4.779 5.550 -0.420 114 1HB ARG 19 HB2 ARG 19 4.224 7.595 -1.801 115 2HB ARG 19 HB1 ARG 19 2.585 6.971 -1.954 116 1HG ARG 19 HG2 ARG 19 3.558 7.173 0.811 117 2HG ARG 19 HG1 ARG 19 3.394 8.709 -0.041 118 1HD ARG 19 HD2 ARG 19 1.288 8.542 0.799 119 2HD ARG 19 HD1 ARG 19 1.035 7.672 -0.711 120 HE ARG 19 HE ARG 19 1.784 6.070 1.589 121 1HH1 ARG 19 HH11 ARG 19 -0.827 7.307 -0.390 122 2HH1 ARG 19 HH12 ARG 19 -1.944 6.069 0.087 123 1HH2 ARG 19 HH21 ARG 19 0.297 4.494 2.305 124 2HH2 ARG 19 HH22 ARG 19 -1.321 4.472 1.639 125 H ASP 20 HN ASP 20 2.230 4.458 -2.555 126 HA ASP 20 HA ASP 20 0.276 3.868 -0.629 127 1HB ASP 20 HB2 ASP 20 -0.336 4.166 -2.937 128 2HB ASP 20 HB1 ASP 20 0.712 2.835 -3.438 129 H THR 21 HN THR 21 2.544 1.730 -2.320 130 HA THR 21 HA THR 21 1.576 -0.524 -0.778 131 HB THR 21 HB THR 21 3.565 -0.484 -3.046 132 HG1 THR 21 HG1 THR 21 0.907 -0.104 -3.023 133 1HG2 THR 21 HG21 THR 21 3.734 -2.504 -1.681 134 2HG2 THR 21 HG22 THR 21 3.023 -2.870 -3.252 135 3HG2 THR 21 HG23 THR 21 1.995 -2.760 -1.813 136 H LEU 22 HN LEU 22 4.583 1.293 -1.177 137 HA LEU 22 HA LEU 22 6.097 -0.603 0.414 138 1HB LEU 22 HB2 LEU 22 7.137 0.652 -1.430 139 2HB LEU 22 HB1 LEU 22 6.834 2.155 -0.581 140 HG LEU 22 HG LEU 22 8.356 1.440 1.216 141 1HD1 LEU 22 HD11 LEU 22 8.926 -0.902 -0.569 142 2HD1 LEU 22 HD12 LEU 22 8.061 -0.975 0.969 143 3HD1 LEU 22 HD13 LEU 22 9.762 -0.509 0.925 144 1HD2 LEU 22 HD21 LEU 22 9.493 1.366 -1.572 145 2HD2 LEU 22 HD22 LEU 22 10.431 1.647 -0.106 146 3HD2 LEU 22 HD23 LEU 22 9.202 2.813 -0.602 147 H GLN 23 HN GLN 23 5.397 -0.713 2.452 148 HA GLN 23 HA GLN 23 4.676 1.678 3.926 149 1HB GLN 23 HB2 GLN 23 4.698 -1.223 4.800 150 2HB GLN 23 HB1 GLN 23 3.956 0.124 5.654 151 1HG GLN 23 HG2 GLN 23 2.433 0.428 3.757 152 2HG GLN 23 HG1 GLN 23 3.151 -0.972 2.980 153 1HE2 GLN 23 HE21 GLN 23 3.472 -2.295 5.648 154 2HE2 GLN 23 HE22 GLN 23 1.883 -2.857 6.070 155 HA PRO 24 HA PRO 24 8.369 2.106 6.263 156 1HB PRO 24 HB2 PRO 24 6.926 2.337 8.771 157 2HB PRO 24 HB1 PRO 24 7.792 3.579 7.859 158 1HG PRO 24 HG2 PRO 24 5.086 3.527 8.094 159 2HG PRO 24 HG1 PRO 24 5.909 4.191 6.676 160 1HD PRO 24 HD2 PRO 24 4.593 1.538 7.034 161 2HD PRO 24 HD1 PRO 24 4.586 2.618 5.632 162 H GLY 25 HN GLY 25 9.352 0.105 6.218 163 1HA GLY 25 HA2 GLY 25 10.155 -1.232 8.348 164 2HA GLY 25 HA1 GLY 25 8.553 -1.927 8.135 165 H MET 26 HN MET 26 8.633 -1.729 5.243 166 HA MET 26 HA MET 26 9.834 -4.279 4.780 167 1HB MET 26 HB2 MET 26 8.365 -2.398 2.940 168 2HB MET 26 HB1 MET 26 8.994 -3.960 2.437 169 1HG MET 26 HG2 MET 26 7.618 -4.905 4.392 170 2HG MET 26 HG1 MET 26 6.801 -3.347 4.361 171 1HE MET 26 HE1 MET 26 6.632 -2.479 1.476 172 2HE MET 26 HE2 MET 26 5.176 -2.533 2.464 173 3HE MET 26 HE3 MET 26 5.166 -3.251 0.857 174 H ARG 27 HN ARG 27 11.212 -4.793 2.995 175 HA ARG 27 HA ARG 27 13.523 -3.100 2.941 176 1HB ARG 27 HB2 ARG 27 13.683 -5.537 3.144 177 2HB ARG 27 HB1 ARG 27 12.962 -5.715 1.554 178 1HG ARG 27 HG2 ARG 27 14.856 -5.041 0.467 179 2HG ARG 27 HG1 ARG 27 15.452 -4.136 1.855 180 1HD ARG 27 HD2 ARG 27 15.182 -7.124 1.863 181 2HD ARG 27 HD1 ARG 27 16.641 -6.330 1.274 182 HE ARG 27 HE ARG 27 17.103 -5.561 3.451 183 1HH1 ARG 27 HH11 ARG 27 14.204 -7.541 3.355 184 2HH1 ARG 27 HH12 ARG 27 14.181 -7.795 5.063 185 1HH2 ARG 27 HH21 ARG 27 17.091 -5.911 5.673 186 2HH2 ARG 27 HH22 ARG 27 15.838 -6.904 6.387 187 H VAL 28 HN VAL 28 14.533 -2.180 1.165 188 HA VAL 28 HA VAL 28 12.828 -1.787 -1.206 189 HB VAL 28 HB VAL 28 13.555 0.520 -1.358 190 1HG1 VAL 28 HG11 VAL 28 12.427 1.465 0.586 191 2HG1 VAL 28 HG12 VAL 28 12.569 -0.079 1.426 192 3HG1 VAL 28 HG13 VAL 28 11.565 0.050 -0.013 193 1HG2 VAL 28 HG21 VAL 28 15.788 0.309 -0.425 194 2HG2 VAL 28 HG22 VAL 28 15.107 0.035 1.172 195 3HG2 VAL 28 HG23 VAL 28 14.894 1.597 0.383 196 H ARG 29 HN ARG 29 13.895 -1.506 -3.160 197 HA ARG 29 HA ARG 29 16.762 -2.239 -3.162 198 1HB ARG 29 HB2 ARG 29 14.865 -3.805 -4.148 199 2HB ARG 29 HB1 ARG 29 14.964 -2.702 -5.515 200 1HG ARG 29 HG2 ARG 29 17.368 -4.128 -4.426 201 2HG ARG 29 HG1 ARG 29 16.323 -4.864 -5.629 202 1HD ARG 29 HD2 ARG 29 16.710 -2.844 -7.081 203 2HD ARG 29 HD1 ARG 29 17.936 -2.337 -5.901 204 HE ARG 29 HE ARG 29 18.504 -4.972 -6.601 205 1HH1 ARG 29 HH11 ARG 29 18.403 -1.848 -8.203 206 2HH1 ARG 29 HH12 ARG 29 19.611 -2.276 -9.369 207 1HH2 ARG 29 HH21 ARG 29 20.100 -5.511 -8.170 208 2HH2 ARG 29 HH22 ARG 29 20.559 -4.314 -9.348 209 H MET 30 HN MET 30 18.134 -0.810 -4.006 210 HA MET 30 HA MET 30 17.155 1.652 -5.136 211 1HB MET 30 HB2 MET 30 19.077 1.523 -3.574 212 2HB MET 30 HB1 MET 30 19.992 0.672 -4.803 213 1HG MET 30 HG2 MET 30 20.639 2.973 -4.778 214 2HG MET 30 HG1 MET 30 19.805 2.621 -6.278 215 1HE MET 30 HE1 MET 30 20.377 5.581 -4.824 216 2HE MET 30 HE2 MET 30 18.895 6.373 -5.378 217 3HE MET 30 HE3 MET 30 19.789 5.320 -6.480 218 H LEU 31 HN LEU 31 16.526 1.687 -7.216 219 HA LEU 31 HA LEU 31 17.761 -0.154 -9.129 220 1HB LEU 31 HB2 LEU 31 15.805 0.849 -10.587 221 2HB LEU 31 HB1 LEU 31 15.503 -0.403 -9.404 222 HG LEU 31 HG LEU 31 14.629 1.215 -7.800 223 1HD1 LEU 31 HD11 LEU 31 14.338 3.560 -8.391 224 2HD1 LEU 31 HD12 LEU 31 15.177 3.298 -9.925 225 3HD1 LEU 31 HD13 LEU 31 16.048 3.130 -8.407 226 1HD2 LEU 31 HD21 LEU 31 13.120 0.248 -9.456 227 2HD2 LEU 31 HD22 LEU 31 13.451 1.596 -10.546 228 3HD2 LEU 31 HD23 LEU 31 12.641 1.887 -9.020 229 H ASP 32 HN ASP 32 18.559 2.781 -8.150 230 HA ASP 32 HA ASP 32 19.576 3.532 -10.779 231 1HB ASP 32 HB2 ASP 32 17.271 4.705 -10.042 232 2HB ASP 32 HB1 ASP 32 18.398 5.763 -9.195 233 H ASP 33 HN ASP 33 21.030 5.458 -10.589 234 HA ASP 33 HA ASP 33 22.720 5.140 -8.209 235 1HB ASP 33 HB2 ASP 33 23.697 4.775 -10.512 236 2HB ASP 33 HB1 ASP 33 23.438 6.488 -10.822 237 H TYR 34 HN TYR 34 22.893 6.793 -6.745 238 HA TYR 34 HA TYR 34 22.348 9.502 -7.538 239 1HB TYR 34 HB2 TYR 34 20.078 8.639 -7.274 240 2HB TYR 34 HB1 TYR 34 20.456 8.129 -5.618 241 HD1 TYR 34 HD1 TYR 34 20.164 9.618 -3.823 242 HD2 TYR 34 HD2 TYR 34 20.190 11.124 -7.816 243 HE1 TYR 34 HE1 TYR 34 19.486 11.826 -2.994 244 HE2 TYR 34 HE2 TYR 34 19.503 13.322 -6.981 245 HH TYR 34 HH TYR 34 18.438 14.355 -5.093 246 H GLU 35 HN GLU 35 24.276 10.111 -6.749 247 HA GLU 35 HA GLU 35 25.761 10.938 -5.284 248 1HB GLU 35 HB2 GLU 35 23.744 12.215 -4.662 249 2HB GLU 35 HB1 GLU 35 23.357 11.010 -3.440 250 1HG GLU 35 HG2 GLU 35 25.510 11.559 -2.305 251 2HG GLU 35 HG1 GLU 35 25.751 12.830 -3.501 252 H GLU 36 HN GLU 36 24.281 9.890 -2.386 253 HA GLU 36 HA GLU 36 26.515 8.521 -1.486 254 1HB GLU 36 HB2 GLU 36 23.701 8.363 -0.444 255 2HB GLU 36 HB1 GLU 36 25.156 7.924 0.424 256 1HG GLU 36 HG2 GLU 36 24.537 10.702 -0.572 257 2HG GLU 36 HG1 GLU 36 24.239 10.117 1.063 258 H ILE 37 HN ILE 37 23.610 7.377 -3.046 259 HA ILE 37 HA ILE 37 24.430 4.599 -2.485 260 HB ILE 37 HB ILE 37 21.671 5.545 -3.259 261 1HG1 ILE 37 HG12 ILE 37 22.273 6.585 -1.139 262 2HG1 ILE 37 HG11 ILE 37 21.116 5.283 -0.858 263 1HG2 ILE 37 HG21 ILE 37 20.961 3.373 -2.381 264 2HG2 ILE 37 HG22 ILE 37 22.644 2.977 -2.029 265 3HG2 ILE 37 HG23 ILE 37 22.119 3.189 -3.708 266 1HD1 ILE 37 HD11 ILE 37 24.085 5.173 -0.419 267 2HD1 ILE 37 HD12 ILE 37 22.965 3.821 -0.192 268 3HD1 ILE 37 HD13 ILE 37 22.826 5.258 0.823 269 H SER 38 HN SER 38 24.119 3.042 -4.207 270 HA SER 38 HA SER 38 24.196 4.216 -6.887 271 1HB SER 38 HB2 SER 38 26.450 3.483 -5.897 272 2HB SER 38 HB1 SER 38 25.834 1.834 -6.039 273 HG SER 38 HG SER 38 26.085 3.706 -8.178 274 H ALA 39 HN ALA 39 23.728 2.548 -8.615 275 HA ALA 39 HA ALA 39 21.300 1.254 -8.010 276 1HB ALA 39 HB1 ALA 39 21.417 0.343 -10.284 277 2HB ALA 39 HB2 ALA 39 23.095 0.880 -10.424 278 3HB ALA 39 HB3 ALA 39 21.785 2.065 -10.257 279 H GLY 40 HN GLY 40 20.860 -0.714 -7.285 280 1HA GLY 40 HA2 GLY 40 21.272 -3.075 -7.297 281 2HA GLY 40 HA1 GLY 40 22.984 -2.721 -7.346 282 H ASP 41 HN ASP 41 22.273 -0.501 -5.277 283 HA ASP 41 HA ASP 41 22.890 -2.055 -2.994 284 1HB ASP 41 HB2 ASP 41 22.215 0.833 -3.376 285 2HB ASP 41 HB1 ASP 41 22.324 0.171 -1.759 286 H GLU 42 HN GLU 42 21.624 -2.343 -1.121 287 HA GLU 42 HA GLU 42 18.716 -2.096 -1.519 288 1HB GLU 42 HB2 GLU 42 20.214 -4.495 -0.417 289 2HB GLU 42 HB1 GLU 42 18.467 -4.299 -0.355 290 1HG GLU 42 HG2 GLU 42 18.256 -4.442 -2.708 291 2HG GLU 42 HG1 GLU 42 20.002 -4.257 -2.935 292 H GLY 43 HN GLY 43 17.464 -2.012 0.448 293 1HA GLY 43 HA2 GLY 43 18.867 -1.670 2.927 294 2HA GLY 43 HA1 GLY 43 18.250 -0.171 2.232 295 H GLU 44 HN GLU 44 17.159 -0.351 4.428 296 HA GLU 44 HA GLU 44 14.589 -1.742 4.097 297 1HB GLU 44 HB2 GLU 44 16.098 -2.778 5.813 298 2HB GLU 44 HB1 GLU 44 16.008 -1.282 6.728 299 1HG GLU 44 HG2 GLU 44 13.615 -1.555 6.999 300 2HG GLU 44 HG1 GLU 44 13.663 -3.029 6.016 301 H PHE 45 HN PHE 45 12.754 -0.620 4.758 302 HA PHE 45 HA PHE 45 13.049 2.244 4.565 303 1HB PHE 45 HB2 PHE 45 11.361 0.809 3.304 304 2HB PHE 45 HB1 PHE 45 10.527 0.602 4.828 305 HD1 PHE 45 HD1 PHE 45 9.954 2.910 6.050 306 HD2 PHE 45 HD2 PHE 45 10.631 2.420 1.887 307 HE1 PHE 45 HE1 PHE 45 8.619 4.937 5.607 308 HE2 PHE 45 HE2 PHE 45 9.297 4.452 1.428 309 HZ PHE 45 HZ PHE 45 8.311 5.712 3.295 310 H ARG 46 HN ARG 46 13.344 3.433 6.411 311 HA ARG 46 HA ARG 46 12.623 2.266 8.956 312 1HB ARG 46 HB2 ARG 46 13.734 5.020 8.407 313 2HB ARG 46 HB1 ARG 46 13.731 4.165 9.951 314 1HG ARG 46 HG2 ARG 46 15.327 3.453 7.496 315 2HG ARG 46 HG1 ARG 46 15.937 4.127 9.016 316 1HD ARG 46 HD2 ARG 46 14.626 1.418 8.650 317 2HD ARG 46 HD1 ARG 46 16.350 1.745 8.897 318 HE ARG 46 HE ARG 46 15.367 2.835 11.098 319 1HH1 ARG 46 HH11 ARG 46 14.630 -0.251 9.595 320 2HH1 ARG 46 HH12 ARG 46 14.223 -1.019 11.098 321 1HH2 ARG 46 HH21 ARG 46 14.833 1.816 13.082 322 2HH2 ARG 46 HH22 ARG 46 14.334 0.150 13.072 323 H GLN 47 HN GLN 47 11.828 5.191 7.136 324 HA GLN 47 HA GLN 47 9.128 5.292 7.890 325 1HB GLN 47 HB2 GLN 47 9.159 7.215 9.392 326 2HB GLN 47 HB1 GLN 47 10.033 5.847 10.101 327 1HG GLN 47 HG2 GLN 47 12.134 6.898 9.349 328 2HG GLN 47 HG1 GLN 47 11.209 8.301 8.782 329 1HE2 GLN 47 HE21 GLN 47 10.157 9.605 10.309 330 2HE2 GLN 47 HE22 GLN 47 10.663 9.628 11.952 331 H SER 48 HN SER 48 8.147 7.416 7.206 332 HA SER 48 HA SER 48 9.829 8.774 5.203 333 1HB SER 48 HB2 SER 48 7.770 8.754 3.693 334 2HB SER 48 HB1 SER 48 8.555 7.184 3.916 335 HG SER 48 HG SER 48 6.726 7.503 5.847 336 H ASN 49 HN ASN 49 8.919 10.884 4.513 337 HA ASN 49 HA ASN 49 7.658 12.223 6.754 338 1HB ASN 49 HB2 ASN 49 8.759 13.159 4.084 339 2HB ASN 49 HB1 ASN 49 7.788 14.208 5.110 340 1HD2 ASN 49 HD21 ASN 49 9.884 11.817 6.513 341 2HD2 ASN 49 HD22 ASN 49 11.067 12.918 7.118 342 H ASN 50 HN ASN 50 5.606 12.806 6.875 343 HA ASN 50 HA ASN 50 3.867 11.182 5.245 344 1HB ASN 50 HB2 ASN 50 2.141 11.684 6.862 345 2HB ASN 50 HB1 ASN 50 3.631 11.284 7.708 346 1HD2 ASN 50 HD21 ASN 50 4.657 12.833 8.918 347 2HD2 ASN 50 HD22 ASN 50 3.961 14.375 9.263 348 H GLY 51 HN GLY 51 5.042 14.033 4.391 349 1HA GLY 51 HA2 GLY 51 2.672 14.612 2.835 350 2HA GLY 51 HA1 GLY 51 3.213 15.877 3.921 351 H VAL 52 HN VAL 52 6.088 14.895 3.394 352 HA VAL 52 HA VAL 52 6.381 16.224 0.812 353 HB VAL 52 HB VAL 52 8.576 17.085 1.669 354 1HG1 VAL 52 HG11 VAL 52 6.569 18.491 1.522 355 2HG1 VAL 52 HG12 VAL 52 7.582 18.941 2.890 356 3HG1 VAL 52 HG13 VAL 52 6.107 18.004 3.160 357 1HG2 VAL 52 HG21 VAL 52 8.851 17.210 4.113 358 2HG2 VAL 52 HG22 VAL 52 8.875 15.538 3.539 359 3HG2 VAL 52 HG23 VAL 52 7.433 16.179 4.317 360 HA PRO 53 HA PRO 53 8.599 13.012 -1.044 361 1HB PRO 53 HB2 PRO 53 10.995 14.773 -1.303 362 2HB PRO 53 HB1 PRO 53 10.110 13.846 -2.531 363 1HG PRO 53 HG2 PRO 53 9.848 16.494 -2.295 364 2HG PRO 53 HG1 PRO 53 8.484 15.458 -2.757 365 1HD PRO 53 HD2 PRO 53 9.018 16.823 -0.160 366 2HD PRO 53 HD1 PRO 53 7.485 16.390 -0.928 367 HA PRO 54 HA PRO 54 12.969 12.867 1.393 368 1HB PRO 54 HB2 PRO 54 12.339 13.815 4.000 369 2HB PRO 54 HB1 PRO 54 13.515 14.472 2.868 370 1HG PRO 54 HG2 PRO 54 10.717 15.300 3.406 371 2HG PRO 54 HG1 PRO 54 12.095 16.271 2.840 372 1HD PRO 54 HD2 PRO 54 10.112 15.592 1.171 373 2HD PRO 54 HD1 PRO 54 11.806 15.629 0.632 374 H VAL 55 HN VAL 55 13.142 10.803 1.890 375 HA VAL 55 HA VAL 55 11.296 9.630 3.850 376 HB VAL 55 HB VAL 55 10.536 8.884 1.677 377 1HG1 VAL 55 HG11 VAL 55 13.361 7.983 1.190 378 2HG1 VAL 55 HG12 VAL 55 12.504 9.286 0.360 379 3HG1 VAL 55 HG13 VAL 55 11.982 7.612 0.163 380 1HG2 VAL 55 HG21 VAL 55 12.086 6.696 3.088 381 2HG2 VAL 55 HG22 VAL 55 10.798 6.447 1.913 382 3HG2 VAL 55 HG23 VAL 55 10.445 7.226 3.451 383 H GLN 56 HN GLN 56 12.231 8.170 5.306 384 HA GLN 56 HA GLN 56 15.164 8.329 5.369 385 1HB GLN 56 HB2 GLN 56 14.005 9.236 7.303 386 2HB GLN 56 HB1 GLN 56 13.134 7.712 7.533 387 1HG GLN 56 HG2 GLN 56 14.961 6.636 8.389 388 2HG GLN 56 HG1 GLN 56 16.109 7.695 7.572 389 1HE2 GLN 56 HE21 GLN 56 16.008 6.917 10.365 390 2HE2 GLN 56 HE22 GLN 56 15.860 8.387 11.285 391 H VAL 57 HN VAL 57 16.102 6.619 4.437 392 HA VAL 57 HA VAL 57 15.029 3.970 5.032 393 HB VAL 57 HB VAL 57 16.268 4.942 2.446 394 1HG1 VAL 57 HG11 VAL 57 17.095 2.721 2.896 395 2HG1 VAL 57 HG12 VAL 57 15.888 2.648 1.610 396 3HG1 VAL 57 HG13 VAL 57 15.477 2.149 3.241 397 1HG2 VAL 57 HG21 VAL 57 13.520 3.845 3.060 398 2HG2 VAL 57 HG22 VAL 57 14.119 4.300 1.445 399 3HG2 VAL 57 HG23 VAL 57 13.913 5.524 2.713 400 H PHE 58 HN PHE 58 16.443 2.463 5.758 401 HA PHE 58 HA PHE 58 19.186 3.366 6.173 402 1HB PHE 58 HB2 PHE 58 18.144 2.463 8.154 403 2HB PHE 58 HB1 PHE 58 17.680 0.989 7.302 404 HD1 PHE 58 HD1 PHE 58 20.689 2.977 8.241 405 HD2 PHE 58 HD2 PHE 58 19.019 -0.862 7.508 406 HE1 PHE 58 HE1 PHE 58 22.815 1.935 8.933 407 HE2 PHE 58 HE2 PHE 58 21.130 -1.912 8.205 408 HZ PHE 58 HZ PHE 58 23.016 -0.518 8.912 409 H TRP 59 HN TRP 59 20.703 2.764 4.787 410 HA TRP 59 HA TRP 59 20.028 0.696 2.850 411 1HB TRP 59 HB2 TRP 59 22.229 2.756 2.916 412 2HB TRP 59 HB1 TRP 59 22.069 1.545 1.647 413 HD1 TRP 59 HD1 TRP 59 20.724 4.875 2.760 414 HE1 TRP 59 HE1 TRP 59 18.943 5.689 1.098 415 HE3 TRP 59 HE3 TRP 59 20.146 0.606 -0.003 416 HZ2 TRP 59 HZ2 TRP 59 17.478 4.686 -1.049 417 HZ3 TRP 59 HZ3 TRP 59 18.523 0.615 -1.854 418 HH2 TRP 59 HH2 TRP 59 17.210 2.613 -2.371 419 H GLU 60 HN GLU 60 20.614 -1.290 3.228 420 HA GLU 60 HA GLU 60 22.244 -1.921 5.472 421 1HB GLU 60 HB2 GLU 60 21.027 -3.775 3.403 422 2HB GLU 60 HB1 GLU 60 21.652 -4.234 4.998 423 1HG GLU 60 HG2 GLU 60 19.915 -2.938 6.078 424 2HG GLU 60 HG1 GLU 60 19.317 -2.385 4.501 425 H SER 61 HN SER 61 22.556 -2.003 2.017 426 HA SER 61 HA SER 61 24.854 -3.594 1.811 427 1HB SER 61 HB2 SER 61 23.426 -3.113 -0.119 428 2HB SER 61 HB1 SER 61 23.837 -1.403 -0.013 429 HG SER 61 HG SER 61 25.394 -1.900 -1.326 430 H THR 62 HN THR 62 24.391 -0.206 2.475 431 HA THR 62 HA THR 62 27.263 0.312 2.349 432 HB THR 62 HB THR 62 25.072 2.311 2.952 433 HG1 THR 62 HG1 THR 62 25.840 1.131 0.555 434 1HG2 THR 62 HG21 THR 62 26.712 3.926 2.055 435 2HG2 THR 62 HG22 THR 62 27.872 2.608 1.883 436 3HG2 THR 62 HG23 THR 62 27.308 3.081 3.489 437 H GLY 63 HN GLY 63 24.532 0.693 4.582 438 1HA GLY 63 HA2 GLY 63 24.666 -0.068 6.853 439 2HA GLY 63 HA1 GLY 63 26.390 0.323 6.850 440 H ARG 64 HN ARG 64 24.191 2.536 5.361 441 HA ARG 64 HA ARG 64 24.287 4.269 7.735 442 1HB ARG 64 HB2 ARG 64 24.904 5.079 4.893 443 2HB ARG 64 HB1 ARG 64 24.717 6.196 6.233 444 1HG ARG 64 HG2 ARG 64 26.649 5.231 7.332 445 2HG ARG 64 HG1 ARG 64 26.827 4.054 6.029 446 1HD ARG 64 HD2 ARG 64 28.376 5.946 5.749 447 2HD ARG 64 HD1 ARG 64 27.195 5.865 4.443 448 HE ARG 64 HE ARG 64 26.053 7.594 6.217 449 1HH1 ARG 64 HH11 ARG 64 29.134 7.473 4.586 450 2HH1 ARG 64 HH12 ARG 64 29.347 9.189 4.583 451 1HH2 ARG 64 HH21 ARG 64 26.306 9.834 6.207 452 2HH2 ARG 64 HH22 ARG 64 27.722 10.543 5.480 453 H THR 65 HN THR 65 22.510 5.615 8.017 454 HA THR 65 HA THR 65 20.170 5.119 6.422 455 HB THR 65 HB THR 65 19.346 7.129 7.917 456 HG1 THR 65 HG1 THR 65 21.669 7.388 8.635 457 1HG2 THR 65 HG21 THR 65 18.757 5.571 9.670 458 2HG2 THR 65 HG22 THR 65 19.972 4.432 9.096 459 3HG2 THR 65 HG23 THR 65 18.577 4.807 8.095 460 H TYR 66 HN TYR 66 19.187 6.526 5.010 461 HA TYR 66 HA TYR 66 20.386 9.121 4.469 462 1HB TYR 66 HB2 TYR 66 21.689 7.540 3.070 463 2HB TYR 66 HB1 TYR 66 20.199 6.992 2.311 464 HD1 TYR 66 HD1 TYR 66 19.857 7.794 0.196 465 HD2 TYR 66 HD2 TYR 66 21.808 10.282 3.031 466 HE1 TYR 66 HE1 TYR 66 20.014 9.588 -1.494 467 HE2 TYR 66 HE2 TYR 66 21.989 12.072 1.351 468 HH TYR 66 HH TYR 66 22.031 12.294 -1.108 469 H TRP 67 HN TRP 67 18.955 10.537 3.453 470 HA TRP 67 HA TRP 67 16.213 9.586 3.349 471 1HB TRP 67 HB2 TRP 67 17.339 12.380 3.169 472 2HB TRP 67 HB1 TRP 67 15.619 11.988 3.169 473 HD1 TRP 67 HD1 TRP 67 14.565 11.115 5.496 474 HE1 TRP 67 HE1 TRP 67 15.367 11.359 7.930 475 HE3 TRP 67 HE3 TRP 67 19.418 12.534 4.608 476 HZ2 TRP 67 HZ2 TRP 67 17.773 12.051 9.291 477 HZ3 TRP 67 HZ3 TRP 67 20.892 12.956 6.527 478 HH2 TRP 67 HH2 TRP 67 20.083 12.727 8.822 479 H VAL 68 HN VAL 68 15.445 8.872 1.515 480 HA VAL 68 HA VAL 68 16.844 9.504 -0.953 481 HB VAL 68 HB VAL 68 14.823 7.290 -0.806 482 1HG1 VAL 68 HG11 VAL 68 15.968 7.745 -2.902 483 2HG1 VAL 68 HG12 VAL 68 16.439 6.172 -2.268 484 3HG1 VAL 68 HG13 VAL 68 17.527 7.557 -2.106 485 1HG2 VAL 68 HG21 VAL 68 16.071 7.031 1.295 486 2HG2 VAL 68 HG22 VAL 68 17.587 7.087 0.392 487 3HG2 VAL 68 HG23 VAL 68 16.471 5.746 0.147 488 H HIS 69 HN HIS 69 14.374 8.333 -2.363 489 HA HIS 69 HA HIS 69 12.742 10.696 -2.374 490 1HB HIS 69 HB2 HIS 69 14.437 9.972 -4.760 491 2HB HIS 69 HB1 HIS 69 13.034 11.034 -4.841 492 HD1 HIS 69 HD1 HIS 69 13.425 13.454 -4.216 493 HD2 HIS 69 HD2 HIS 69 16.648 11.024 -3.223 494 HE1 HIS 69 HE1 HIS 69 15.249 15.019 -3.511 495 HE2 HIS 69 HE2 HIS 69 17.113 13.529 -2.715 496 H TRP 70 HN TRP 70 10.640 10.045 -2.912 497 HA TRP 70 HA TRP 70 9.915 7.444 -2.999 498 1HB TRP 70 HB2 TRP 70 8.529 9.776 -4.319 499 2HB TRP 70 HB1 TRP 70 7.780 8.205 -4.085 500 HD1 TRP 70 HD1 TRP 70 8.256 11.453 -2.369 501 HE1 TRP 70 HE1 TRP 70 7.435 11.323 0.066 502 HE3 TRP 70 HE3 TRP 70 7.783 6.380 -1.951 503 HZ2 TRP 70 HZ2 TRP 70 6.697 9.364 1.897 504 HZ3 TRP 70 HZ3 TRP 70 7.012 5.462 0.192 505 HH2 TRP 70 HH2 TRP 70 6.475 6.907 2.092 506 H HIS 71 HN HIS 71 10.418 9.417 -5.920 507 HA HIS 71 HA HIS 71 9.762 7.305 -7.718 508 1HB HIS 71 HB2 HIS 71 10.616 8.738 -9.484 509 2HB HIS 71 HB1 HIS 71 9.687 9.707 -8.351 510 HD1 HIS 71 HD1 HIS 71 13.126 9.170 -9.682 511 HD2 HIS 71 HD2 HIS 71 11.192 11.634 -6.935 512 HE1 HIS 71 HE1 HIS 71 14.767 10.980 -9.132 513 HE2 HIS 71 HE2 HIS 71 13.471 12.607 -7.707 514 H MET 72 HN MET 72 12.498 7.757 -5.772 515 HA MET 72 HA MET 72 14.351 6.484 -7.629 516 1HB MET 72 HB2 MET 72 14.963 8.488 -6.241 517 2HB MET 72 HB1 MET 72 14.806 7.474 -4.812 518 1HG MET 72 HG2 MET 72 17.088 7.608 -5.327 519 2HG MET 72 HG1 MET 72 16.554 5.991 -5.777 520 1HE MET 72 HE1 MET 72 17.672 9.540 -7.099 521 2HE MET 72 HE2 MET 72 16.007 9.397 -7.655 522 3HE MET 72 HE3 MET 72 17.328 9.401 -8.827 523 H LEU 73 HN LEU 73 12.114 5.475 -5.301 524 HA LEU 73 HA LEU 73 13.848 3.275 -4.365 525 1HB LEU 73 HB2 LEU 73 11.290 4.410 -3.238 526 2HB LEU 73 HB1 LEU 73 12.059 2.950 -2.631 527 HG LEU 73 HG LEU 73 13.295 5.699 -2.644 528 1HD1 LEU 73 HD11 LEU 73 12.960 5.633 -0.229 529 2HD1 LEU 73 HD12 LEU 73 12.107 4.087 -0.400 530 3HD1 LEU 73 HD13 LEU 73 11.440 5.550 -1.106 531 1HD2 LEU 73 HD21 LEU 73 15.016 4.718 -1.262 532 2HD2 LEU 73 HD22 LEU 73 14.930 3.876 -2.807 533 3HD2 LEU 73 HD23 LEU 73 14.234 3.154 -1.358 534 H GLU 74 HN GLU 74 13.469 1.238 -5.007 535 HA GLU 74 HA GLU 74 10.848 0.587 -6.165 536 1HB GLU 74 HB2 GLU 74 12.838 0.137 -7.603 537 2HB GLU 74 HB1 GLU 74 13.428 -0.992 -6.374 538 1HG GLU 74 HG2 GLU 74 11.415 -2.355 -6.689 539 2HG GLU 74 HG1 GLU 74 10.858 -1.225 -7.939 540 H ILE 75 HN ILE 75 9.725 -1.196 -5.435 541 HA ILE 75 HA ILE 75 10.533 -2.114 -2.762 542 HB ILE 75 HB ILE 75 8.471 -0.949 -2.581 543 1HG1 ILE 75 HG12 ILE 75 7.908 -3.920 -2.673 544 2HG1 ILE 75 HG11 ILE 75 8.558 -3.022 -1.302 545 1HG2 ILE 75 HG21 ILE 75 7.827 -0.879 -4.903 546 2HG2 ILE 75 HG22 ILE 75 6.483 -1.493 -3.934 547 3HG2 ILE 75 HG23 ILE 75 7.469 -2.597 -4.899 548 1HD1 ILE 75 HD11 ILE 75 5.817 -2.702 -2.493 549 2HD1 ILE 75 HD12 ILE 75 6.467 -1.753 -1.160 550 3HD1 ILE 75 HD13 ILE 75 6.215 -3.492 -0.968 551 H LEU 76 HN LEU 76 11.201 -4.180 -2.625 552 HA LEU 76 HA LEU 76 10.650 -5.939 -4.852 553 1HB LEU 76 HB2 LEU 76 12.116 -7.547 -3.625 554 2HB LEU 76 HB1 LEU 76 12.876 -6.036 -4.087 555 HG LEU 76 HG LEU 76 11.765 -6.236 -1.331 556 1HD1 LEU 76 HD11 LEU 76 12.911 -8.344 -1.571 557 2HD1 LEU 76 HD12 LEU 76 13.892 -7.263 -0.581 558 3HD1 LEU 76 HD13 LEU 76 14.306 -7.544 -2.272 559 1HD2 LEU 76 HD21 LEU 76 14.261 -5.029 -2.504 560 2HD2 LEU 76 HD22 LEU 76 13.696 -4.851 -0.837 561 3HD2 LEU 76 HD23 LEU 76 12.759 -4.162 -2.167 562 H GLY 77 HN GLY 77 9.342 -5.271 -1.787 563 1HA GLY 77 HA2 GLY 77 7.439 -6.146 -0.811 564 2HA GLY 77 HA1 GLY 77 7.300 -7.254 -2.176 565 H PHE 78 HN PHE 78 8.996 -6.663 0.856 566 HA PHE 78 HA PHE 78 9.915 -7.980 2.412 567 1HB PHE 78 HB2 PHE 78 8.134 -10.082 1.176 568 2HB PHE 78 HB1 PHE 78 9.084 -10.337 2.639 569 HD1 PHE 78 HD1 PHE 78 8.595 -8.880 4.649 570 HD2 PHE 78 HD2 PHE 78 6.031 -9.059 1.253 571 HE1 PHE 78 HE1 PHE 78 6.772 -7.937 5.983 572 HE2 PHE 78 HE2 PHE 78 4.212 -8.103 2.587 573 HZ PHE 78 HZ PHE 78 4.566 -7.543 4.971 574 H GLU 79 HN GLU 79 9.689 -10.697 0.191 575 HA GLU 79 HA GLU 79 11.291 -12.228 -0.372 576 1HB GLU 79 HB2 GLU 79 12.360 -9.650 -1.506 577 2HB GLU 79 HB1 GLU 79 13.097 -11.208 -1.851 578 1HG GLU 79 HG2 GLU 79 10.812 -11.942 -2.639 579 2HG GLU 79 HG1 GLU 79 10.372 -10.240 -2.579 580 H GLU 80 HN GLU 80 11.633 -12.218 2.048 581 HA GLU 80 HA GLU 80 14.353 -12.572 2.649 582 1HB GLU 80 HB2 GLU 80 14.269 -10.059 2.686 583 2HB GLU 80 HB1 GLU 80 13.093 -10.168 3.989 584 1HG GLU 80 HG2 GLU 80 15.300 -9.713 4.877 585 2HG GLU 80 HG1 GLU 80 14.749 -11.308 5.380 Start of MODEL 19 1 H MET 4 HN MET 4 8.839 4.153 -18.195 2 HA MET 4 HA MET 4 10.844 2.350 -17.074 3 1HB MET 4 HB2 MET 4 10.504 5.230 -16.234 4 2HB MET 4 HB1 MET 4 11.161 4.012 -15.151 5 1HG MET 4 HG2 MET 4 12.954 3.581 -16.784 6 2HG MET 4 HG1 MET 4 12.298 4.894 -17.789 7 1HE MET 4 HE1 MET 4 14.055 5.525 -13.569 8 2HE MET 4 HE2 MET 4 13.896 3.953 -14.356 9 3HE MET 4 HE3 MET 4 12.449 4.830 -13.845 10 H ARG 5 HN ARG 5 10.215 2.104 -14.590 11 HA ARG 5 HA ARG 5 7.480 1.353 -14.531 12 1HB ARG 5 HB2 ARG 5 9.428 0.393 -13.130 13 2HB ARG 5 HB1 ARG 5 9.142 1.748 -12.043 14 1HG ARG 5 HG2 ARG 5 8.011 -0.289 -11.312 15 2HG ARG 5 HG1 ARG 5 6.871 1.013 -11.674 16 1HD ARG 5 HD2 ARG 5 6.515 -0.015 -13.917 17 2HD ARG 5 HD1 ARG 5 7.542 -1.358 -13.420 18 HE ARG 5 HE ARG 5 5.716 -1.373 -11.497 19 1HH1 ARG 5 HH11 ARG 5 5.402 -1.161 -14.980 20 2HH1 ARG 5 HH12 ARG 5 3.858 -1.975 -15.013 21 1HH2 ARG 5 HH21 ARG 5 3.656 -2.390 -11.533 22 2HH2 ARG 5 HH22 ARG 5 2.849 -2.620 -13.060 23 H SER 6 HN SER 6 9.174 4.219 -13.595 24 HA SER 6 HA SER 6 6.939 5.398 -12.194 25 1HB SER 6 HB2 SER 6 9.470 6.681 -13.205 26 2HB SER 6 HB1 SER 6 8.372 7.359 -12.003 27 HG SER 6 HG SER 6 10.338 6.176 -11.224 28 H GLU 7 HN GLU 7 6.873 4.672 -15.246 29 HA GLU 7 HA GLU 7 6.558 7.209 -16.554 30 1HB GLU 7 HB2 GLU 7 6.094 5.998 -18.535 31 2HB GLU 7 HB1 GLU 7 7.347 5.103 -17.669 32 1HG GLU 7 HG2 GLU 7 5.613 3.601 -16.807 33 2HG GLU 7 HG1 GLU 7 4.413 4.444 -17.790 34 H PHE 8 HN PHE 8 4.660 6.253 -14.266 35 HA PHE 8 HA PHE 8 2.066 5.998 -15.252 36 1HB PHE 8 HB2 PHE 8 3.165 7.078 -12.674 37 2HB PHE 8 HB1 PHE 8 1.430 7.053 -12.974 38 HD1 PHE 8 HD1 PHE 8 4.400 5.001 -12.369 39 HD2 PHE 8 HD2 PHE 8 0.205 5.008 -13.076 40 HE1 PHE 8 HE1 PHE 8 4.255 2.651 -11.593 41 HE2 PHE 8 HE2 PHE 8 0.072 2.649 -12.305 42 HZ PHE 8 HZ PHE 8 2.109 1.490 -11.567 43 H ALA 9 HN ALA 9 0.412 7.903 -14.425 44 HA ALA 9 HA ALA 9 0.209 9.470 -16.651 45 1HB ALA 9 HB1 ALA 9 -1.475 10.742 -15.485 46 2HB ALA 9 HB2 ALA 9 -0.882 10.165 -13.926 47 3HB ALA 9 HB3 ALA 9 -1.619 9.038 -15.086 48 H SER 10 HN SER 10 1.570 10.535 -13.544 49 HA SER 10 HA SER 10 2.896 12.702 -15.041 50 1HB SER 10 HB2 SER 10 1.070 13.573 -13.567 51 2HB SER 10 HB1 SER 10 1.928 12.894 -12.176 52 HG SER 10 HG SER 10 3.769 14.251 -13.102 53 H GLY 11 HN GLY 11 3.483 9.883 -13.924 54 1HA GLY 11 HA2 GLY 11 5.390 8.782 -13.296 55 2HA GLY 11 HA1 GLY 11 6.227 10.328 -13.220 56 H ASN 12 HN ASN 12 4.876 11.682 -11.311 57 HA ASN 12 HA ASN 12 5.821 10.632 -8.905 58 1HB ASN 12 HB2 ASN 12 4.385 12.364 -7.805 59 2HB ASN 12 HB1 ASN 12 5.485 12.976 -9.048 60 1HD2 ASN 12 HD21 ASN 12 4.347 14.803 -9.490 61 2HD2 ASN 12 HD22 ASN 12 2.786 14.803 -10.236 62 H THR 13 HN THR 13 2.780 10.065 -10.541 63 HA THR 13 HA THR 13 1.210 9.093 -8.491 64 HB THR 13 HB THR 13 1.370 7.739 -11.194 65 HG1 THR 13 HG1 THR 13 -0.331 9.878 -11.107 66 1HG2 THR 13 HG21 THR 13 -0.931 8.463 -9.362 67 2HG2 THR 13 HG22 THR 13 -0.249 6.845 -9.599 68 3HG2 THR 13 HG23 THR 13 -1.082 7.652 -10.934 69 H TYR 14 HN TYR 14 3.980 7.633 -10.094 70 HA TYR 14 HA TYR 14 3.731 5.017 -9.167 71 1HB TYR 14 HB2 TYR 14 5.334 5.571 -10.897 72 2HB TYR 14 HB1 TYR 14 6.179 6.670 -9.800 73 HD1 TYR 14 HD1 TYR 14 8.047 5.909 -8.688 74 HD2 TYR 14 HD2 TYR 14 5.223 3.063 -10.118 75 HE1 TYR 14 HE1 TYR 14 9.558 4.067 -8.019 76 HE2 TYR 14 HE2 TYR 14 6.706 1.221 -9.458 77 HH TYR 14 HH TYR 14 9.582 1.787 -7.543 78 H ALA 15 HN ALA 15 5.228 7.868 -7.764 79 HA ALA 15 HA ALA 15 6.283 6.704 -5.464 80 1HB ALA 15 HB1 ALA 15 6.398 8.962 -4.574 81 2HB ALA 15 HB2 ALA 15 5.314 9.525 -5.839 82 3HB ALA 15 HB3 ALA 15 6.912 8.928 -6.262 83 H LEU 16 HN LEU 16 3.050 7.796 -6.223 84 HA LEU 16 HA LEU 16 2.093 7.661 -3.556 85 1HB LEU 16 HB2 LEU 16 0.986 9.090 -5.205 86 2HB LEU 16 HB1 LEU 16 0.651 7.678 -6.198 87 HG LEU 16 HG LEU 16 -0.839 6.811 -4.413 88 1HD1 LEU 16 HD11 LEU 16 -1.507 8.276 -2.574 89 2HD1 LEU 16 HD12 LEU 16 -0.293 9.450 -3.067 90 3HD1 LEU 16 HD13 LEU 16 0.209 7.855 -2.492 91 1HD2 LEU 16 HD21 LEU 16 -2.647 8.424 -4.739 92 2HD2 LEU 16 HD22 LEU 16 -1.774 8.112 -6.238 93 3HD2 LEU 16 HD23 LEU 16 -1.486 9.607 -5.341 94 H TYR 17 HN TYR 17 1.951 5.600 -6.388 95 HA TYR 17 HA TYR 17 0.463 3.499 -5.406 96 1HB TYR 17 HB2 TYR 17 0.972 3.640 -7.738 97 2HB TYR 17 HB1 TYR 17 2.704 3.592 -7.415 98 HD1 TYR 17 HD1 TYR 17 -0.393 1.609 -7.395 99 HD2 TYR 17 HD2 TYR 17 3.854 1.522 -7.221 100 HE1 TYR 17 HE1 TYR 17 -0.426 -0.835 -7.747 101 HE2 TYR 17 HE2 TYR 17 3.828 -0.911 -7.549 102 HH TYR 17 HH TYR 17 2.158 -2.819 -7.176 103 H VAL 18 HN VAL 18 3.992 3.764 -5.486 104 HA VAL 18 HA VAL 18 4.463 1.414 -4.057 105 HB VAL 18 HB VAL 18 6.743 2.249 -3.610 106 1HG1 VAL 18 HG11 VAL 18 7.423 2.340 -5.966 107 2HG1 VAL 18 HG12 VAL 18 5.732 2.543 -6.422 108 3HG1 VAL 18 HG13 VAL 18 6.258 1.056 -5.637 109 1HG2 VAL 18 HG21 VAL 18 5.812 4.753 -5.014 110 2HG2 VAL 18 HG22 VAL 18 7.475 4.365 -4.598 111 3HG2 VAL 18 HG23 VAL 18 6.295 4.625 -3.317 112 H ARG 19 HN ARG 19 4.140 4.751 -2.807 113 HA ARG 19 HA ARG 19 4.943 4.027 -0.195 114 1HB ARG 19 HB2 ARG 19 4.294 6.210 0.488 115 2HB ARG 19 HB1 ARG 19 5.075 6.334 -1.089 116 1HG ARG 19 HG2 ARG 19 2.897 6.560 -2.152 117 2HG ARG 19 HG1 ARG 19 2.096 6.362 -0.598 118 1HD ARG 19 HD2 ARG 19 4.033 8.577 -1.238 119 2HD ARG 19 HD1 ARG 19 2.269 8.734 -1.284 120 HE ARG 19 HE ARG 19 3.516 7.857 1.227 121 1HH1 ARG 19 HH11 ARG 19 1.919 10.346 -0.647 122 2HH1 ARG 19 HH12 ARG 19 1.526 11.315 0.735 123 1HH2 ARG 19 HH21 ARG 19 2.933 9.104 3.083 124 2HH2 ARG 19 HH22 ARG 19 2.072 10.603 2.842 125 H ASP 20 HN ASP 20 1.991 3.825 -1.893 126 HA ASP 20 HA ASP 20 0.189 3.715 0.259 127 1HB ASP 20 HB2 ASP 20 -0.605 4.065 -2.002 128 2HB ASP 20 HB1 ASP 20 0.051 2.519 -2.522 129 H THR 21 HN THR 21 2.009 1.235 -1.460 130 HA THR 21 HA THR 21 0.877 -0.853 0.226 131 HB THR 21 HB THR 21 1.010 -1.209 -2.211 132 HG1 THR 21 HG1 THR 21 1.603 -2.921 -0.366 133 1HG2 THR 21 HG21 THR 21 3.162 -1.678 -3.267 134 2HG2 THR 21 HG22 THR 21 3.987 -1.229 -1.771 135 3HG2 THR 21 HG23 THR 21 3.069 -0.021 -2.681 136 H LEU 22 HN LEU 22 3.840 0.889 -0.224 137 HA LEU 22 HA LEU 22 5.534 -1.034 1.038 138 1HB LEU 22 HB2 LEU 22 6.183 0.701 -0.718 139 2HB LEU 22 HB1 LEU 22 6.138 1.880 0.575 140 HG LEU 22 HG LEU 22 7.940 0.684 1.723 141 1HD1 LEU 22 HD11 LEU 22 7.904 -1.132 -0.696 142 2HD1 LEU 22 HD12 LEU 22 7.399 -1.577 0.939 143 3HD1 LEU 22 HD13 LEU 22 9.076 -1.174 0.620 144 1HD2 LEU 22 HD21 LEU 22 8.514 1.258 -1.171 145 2HD2 LEU 22 HD22 LEU 22 9.734 1.123 0.086 146 3HD2 LEU 22 HD23 LEU 22 8.542 2.415 0.149 147 H GLN 23 HN GLN 23 4.920 -1.466 3.084 148 HA GLN 23 HA GLN 23 4.551 0.716 4.982 149 1HB GLN 23 HB2 GLN 23 4.015 -1.131 6.562 150 2HB GLN 23 HB1 GLN 23 2.945 -1.056 5.160 151 1HG GLN 23 HG2 GLN 23 4.057 -2.906 4.144 152 2HG GLN 23 HG1 GLN 23 5.313 -2.899 5.360 153 1HE2 GLN 23 HE21 GLN 23 3.537 -2.497 7.594 154 2HE2 GLN 23 HE22 GLN 23 2.713 -4.013 7.842 155 HA PRO 24 HA PRO 24 8.587 0.619 6.936 156 1HB PRO 24 HB2 PRO 24 7.004 0.138 9.422 157 2HB PRO 24 HB1 PRO 24 8.287 1.314 9.096 158 1HG PRO 24 HG2 PRO 24 5.731 2.077 9.141 159 2HG PRO 24 HG1 PRO 24 6.875 2.759 7.965 160 1HD PRO 24 HD2 PRO 24 4.698 0.749 7.573 161 2HD PRO 24 HD1 PRO 24 5.313 1.986 6.459 162 H GLY 25 HN GLY 25 9.861 -1.128 6.785 163 1HA GLY 25 HA2 GLY 25 10.571 -3.225 7.874 164 2HA GLY 25 HA1 GLY 25 8.864 -3.674 7.916 165 H MET 26 HN MET 26 8.772 -2.328 5.137 166 HA MET 26 HA MET 26 9.561 -4.684 3.625 167 1HB MET 26 HB2 MET 26 8.208 -2.131 2.766 168 2HB MET 26 HB1 MET 26 8.594 -3.456 1.690 169 1HG MET 26 HG2 MET 26 7.175 -4.933 3.061 170 2HG MET 26 HG1 MET 26 6.716 -3.534 4.028 171 1HE MET 26 HE1 MET 26 4.254 -4.561 3.383 172 2HE MET 26 HE2 MET 26 4.844 -5.654 2.124 173 3HE MET 26 HE3 MET 26 3.578 -4.473 1.751 174 H ARG 27 HN ARG 27 11.403 -4.927 2.700 175 HA ARG 27 HA ARG 27 13.318 -2.785 2.591 176 1HB ARG 27 HB2 ARG 27 13.479 -5.664 1.749 177 2HB ARG 27 HB1 ARG 27 14.790 -4.528 1.440 178 1HG ARG 27 HG2 ARG 27 14.618 -4.028 3.966 179 2HG ARG 27 HG1 ARG 27 13.756 -5.567 4.046 180 1HD ARG 27 HD2 ARG 27 16.542 -5.095 2.999 181 2HD ARG 27 HD1 ARG 27 16.095 -5.942 4.474 182 HE ARG 27 HE ARG 27 14.831 -7.443 2.689 183 1HH1 ARG 27 HH11 ARG 27 18.102 -6.155 2.643 184 2HH1 ARG 27 HH12 ARG 27 18.702 -7.445 1.621 185 1HH2 ARG 27 HH21 ARG 27 15.613 -9.114 1.364 186 2HH2 ARG 27 HH22 ARG 27 17.295 -9.110 0.895 187 H VAL 28 HN VAL 28 14.360 -1.941 0.854 188 HA VAL 28 HA VAL 28 12.862 -2.020 -1.690 189 HB VAL 28 HB VAL 28 13.477 0.360 -1.970 190 1HG1 VAL 28 HG11 VAL 28 11.914 1.274 -0.312 191 2HG1 VAL 28 HG12 VAL 28 11.983 -0.237 0.583 192 3HG1 VAL 28 HG13 VAL 28 11.293 -0.212 -1.034 193 1HG2 VAL 28 HG21 VAL 28 14.443 0.135 0.883 194 2HG2 VAL 28 HG22 VAL 28 14.355 1.629 -0.071 195 3HG2 VAL 28 HG23 VAL 28 15.475 0.349 -0.539 196 H ARG 29 HN ARG 29 14.069 -1.450 -3.583 197 HA ARG 29 HA ARG 29 16.986 -1.873 -3.345 198 1HB ARG 29 HB2 ARG 29 15.524 -3.706 -4.442 199 2HB ARG 29 HB1 ARG 29 15.410 -2.591 -5.804 200 1HG ARG 29 HG2 ARG 29 17.850 -2.571 -6.011 201 2HG ARG 29 HG1 ARG 29 17.965 -3.704 -4.654 202 1HD ARG 29 HD2 ARG 29 16.753 -4.176 -7.382 203 2HD ARG 29 HD1 ARG 29 18.166 -4.945 -6.670 204 HE ARG 29 HE ARG 29 15.410 -5.647 -6.276 205 1HH1 ARG 29 HH11 ARG 29 18.636 -5.831 -4.905 206 2HH1 ARG 29 HH12 ARG 29 18.262 -7.191 -3.898 207 1HH2 ARG 29 HH21 ARG 29 14.952 -7.452 -4.962 208 2HH2 ARG 29 HH22 ARG 29 16.171 -8.115 -3.920 209 H MET 30 HN MET 30 18.314 -0.445 -4.345 210 HA MET 30 HA MET 30 17.055 1.941 -5.487 211 1HB MET 30 HB2 MET 30 18.872 2.088 -3.783 212 2HB MET 30 HB1 MET 30 19.965 1.350 -4.941 213 1HG MET 30 HG2 MET 30 20.273 3.742 -4.902 214 2HG MET 30 HG1 MET 30 19.634 3.225 -6.469 215 1HE MET 30 HE1 MET 30 19.627 6.247 -5.382 216 2HE MET 30 HE2 MET 30 18.033 6.756 -5.922 217 3HE MET 30 HE3 MET 30 19.044 5.765 -6.969 218 H LEU 31 HN LEU 31 16.923 2.344 -7.614 219 HA LEU 31 HA LEU 31 18.386 0.536 -9.435 220 1HB LEU 31 HB2 LEU 31 15.625 1.712 -9.556 221 2HB LEU 31 HB1 LEU 31 16.452 1.307 -11.045 222 HG LEU 31 HG LEU 31 15.010 -0.496 -10.471 223 1HD1 LEU 31 HD11 LEU 31 17.844 -1.202 -9.870 224 2HD1 LEU 31 HD12 LEU 31 17.085 -1.126 -11.460 225 3HD1 LEU 31 HD13 LEU 31 16.570 -2.344 -10.282 226 1HD2 LEU 31 HD21 LEU 31 16.395 -0.568 -7.809 227 2HD2 LEU 31 HD22 LEU 31 15.235 -1.750 -8.396 228 3HD2 LEU 31 HD23 LEU 31 14.730 -0.086 -8.117 229 H ASP 32 HN ASP 32 18.416 3.684 -8.376 230 HA ASP 32 HA ASP 32 19.383 4.625 -10.988 231 1HB ASP 32 HB2 ASP 32 17.176 5.624 -10.261 232 2HB ASP 32 HB1 ASP 32 18.029 6.352 -8.902 233 H ASP 33 HN ASP 33 20.962 6.487 -10.783 234 HA ASP 33 HA ASP 33 22.834 5.933 -8.644 235 1HB ASP 33 HB2 ASP 33 23.776 6.100 -10.887 236 2HB ASP 33 HB1 ASP 33 23.036 7.688 -11.113 237 H TYR 34 HN TYR 34 22.798 7.110 -6.851 238 HA TYR 34 HA TYR 34 21.644 9.818 -6.965 239 1HB TYR 34 HB2 TYR 34 20.158 7.948 -5.982 240 2HB TYR 34 HB1 TYR 34 21.273 7.987 -4.612 241 HD1 TYR 34 HD1 TYR 34 20.227 9.019 -2.831 242 HD2 TYR 34 HD2 TYR 34 19.726 10.661 -6.715 243 HE1 TYR 34 HE1 TYR 34 18.933 10.867 -1.867 244 HE2 TYR 34 HE2 TYR 34 18.434 12.529 -5.780 245 HH TYR 34 HH TYR 34 18.401 13.235 -2.470 246 H GLU 35 HN GLU 35 22.063 10.762 -4.575 247 HA GLU 35 HA GLU 35 24.855 11.248 -4.600 248 1HB GLU 35 HB2 GLU 35 22.564 12.290 -2.992 249 2HB GLU 35 HB1 GLU 35 24.207 12.593 -2.443 250 1HG GLU 35 HG2 GLU 35 23.191 14.417 -3.819 251 2HG GLU 35 HG1 GLU 35 24.738 13.806 -4.413 252 H GLU 36 HN GLU 36 25.773 9.287 -4.153 253 HA GLU 36 HA GLU 36 27.257 8.337 -2.661 254 1HB GLU 36 HB2 GLU 36 25.212 8.960 -0.501 255 2HB GLU 36 HB1 GLU 36 26.675 8.035 -0.239 256 1HG GLU 36 HG2 GLU 36 27.991 10.019 -1.016 257 2HG GLU 36 HG1 GLU 36 26.455 10.915 -1.047 258 H ILE 37 HN ILE 37 23.887 7.736 -2.976 259 HA ILE 37 HA ILE 37 24.268 4.850 -2.555 260 HB ILE 37 HB ILE 37 21.686 6.350 -3.162 261 1HG1 ILE 37 HG12 ILE 37 22.585 7.122 -1.027 262 2HG1 ILE 37 HG11 ILE 37 21.196 6.063 -0.739 263 1HG2 ILE 37 HG21 ILE 37 21.626 3.980 -3.733 264 2HG2 ILE 37 HG22 ILE 37 20.582 4.315 -2.342 265 3HG2 ILE 37 HG23 ILE 37 22.165 3.556 -2.105 266 1HD1 ILE 37 HD11 ILE 37 24.077 5.283 -0.487 267 2HD1 ILE 37 HD12 ILE 37 22.695 4.232 -0.201 268 3HD1 ILE 37 HD13 ILE 37 22.967 5.629 0.827 269 H SER 38 HN SER 38 23.766 3.334 -4.225 270 HA SER 38 HA SER 38 23.720 4.508 -6.901 271 1HB SER 38 HB2 SER 38 25.688 2.404 -5.984 272 2HB SER 38 HB1 SER 38 25.516 2.979 -7.639 273 HG SER 38 HG SER 38 25.849 5.152 -6.408 274 H ALA 39 HN ALA 39 23.552 2.555 -8.536 275 HA ALA 39 HA ALA 39 21.105 1.308 -7.951 276 1HB ALA 39 HB1 ALA 39 23.001 0.774 -10.251 277 2HB ALA 39 HB2 ALA 39 21.719 1.991 -10.242 278 3HB ALA 39 HB3 ALA 39 21.309 0.273 -10.158 279 H GLY 40 HN GLY 40 20.657 -0.635 -7.184 280 1HA GLY 40 HA2 GLY 40 21.113 -3.015 -7.050 281 2HA GLY 40 HA1 GLY 40 22.827 -2.625 -7.040 282 H ASP 41 HN ASP 41 22.115 -0.370 -5.065 283 HA ASP 41 HA ASP 41 22.694 -1.772 -2.708 284 1HB ASP 41 HB2 ASP 41 21.687 1.029 -3.215 285 2HB ASP 41 HB1 ASP 41 21.950 0.421 -1.577 286 H GLU 42 HN GLU 42 21.448 -2.613 -1.103 287 HA GLU 42 HA GLU 42 18.533 -2.533 -1.468 288 1HB GLU 42 HB2 GLU 42 20.260 -4.436 0.135 289 2HB GLU 42 HB1 GLU 42 18.503 -4.514 0.033 290 1HG GLU 42 HG2 GLU 42 18.596 -5.071 -2.286 291 2HG GLU 42 HG1 GLU 42 20.336 -4.755 -2.327 292 H GLY 43 HN GLY 43 17.187 -1.870 0.204 293 1HA GLY 43 HA2 GLY 43 18.528 -0.994 2.666 294 2HA GLY 43 HA1 GLY 43 17.633 0.190 1.731 295 H GLU 44 HN GLU 44 17.057 -0.418 4.377 296 HA GLU 44 HA GLU 44 14.527 -1.895 4.252 297 1HB GLU 44 HB2 GLU 44 16.076 -2.582 6.021 298 2HB GLU 44 HB1 GLU 44 16.249 -0.932 6.554 299 1HG GLU 44 HG2 GLU 44 14.821 -2.059 8.090 300 2HG GLU 44 HG1 GLU 44 13.840 -0.934 7.169 301 H PHE 45 HN PHE 45 12.598 -0.850 4.552 302 HA PHE 45 HA PHE 45 12.709 2.051 4.399 303 1HB PHE 45 HB2 PHE 45 11.279 0.969 2.784 304 2HB PHE 45 HB1 PHE 45 10.444 0.061 4.054 305 HD1 PHE 45 HD1 PHE 45 11.091 3.550 2.910 306 HD2 PHE 45 HD2 PHE 45 8.466 0.882 4.911 307 HE1 PHE 45 HE1 PHE 45 9.404 5.325 3.059 308 HE2 PHE 45 HE2 PHE 45 6.782 2.653 5.056 309 HZ PHE 45 HZ PHE 45 7.239 4.891 4.134 310 H ARG 46 HN ARG 46 12.688 3.195 6.202 311 HA ARG 46 HA ARG 46 11.829 1.989 8.674 312 1HB ARG 46 HB2 ARG 46 12.844 4.760 8.082 313 2HB ARG 46 HB1 ARG 46 12.655 4.069 9.680 314 1HG ARG 46 HG2 ARG 46 14.517 3.078 7.536 315 2HG ARG 46 HG1 ARG 46 14.986 4.039 8.938 316 1HD ARG 46 HD2 ARG 46 13.792 1.272 8.977 317 2HD ARG 46 HD1 ARG 46 15.474 1.678 9.286 318 HE ARG 46 HE ARG 46 13.655 3.064 11.023 319 1HH1 ARG 46 HH11 ARG 46 15.359 0.027 10.595 320 2HH1 ARG 46 HH12 ARG 46 15.305 -0.380 12.265 321 1HH2 ARG 46 HH21 ARG 46 13.576 2.495 13.236 322 2HH2 ARG 46 HH22 ARG 46 14.290 1.003 13.757 323 H GLN 47 HN GLN 47 10.910 4.886 6.847 324 HA GLN 47 HA GLN 47 8.208 4.861 7.431 325 1HB GLN 47 HB2 GLN 47 8.161 6.782 9.142 326 2HB GLN 47 HB1 GLN 47 8.543 5.178 9.735 327 1HG GLN 47 HG2 GLN 47 10.010 6.590 10.844 328 2HG GLN 47 HG1 GLN 47 10.979 5.853 9.586 329 1HE2 GLN 47 HE21 GLN 47 12.461 7.513 9.718 330 2HE2 GLN 47 HE22 GLN 47 12.147 9.094 9.067 331 H SER 48 HN SER 48 7.241 7.170 7.243 332 HA SER 48 HA SER 48 8.846 8.739 5.320 333 1HB SER 48 HB2 SER 48 5.868 8.278 5.096 334 2HB SER 48 HB1 SER 48 6.941 9.026 3.922 335 HG SER 48 HG SER 48 7.934 6.652 4.396 336 H ASN 49 HN ASN 49 8.400 10.998 5.370 337 HA ASN 49 HA ASN 49 6.535 12.195 7.115 338 1HB ASN 49 HB2 ASN 49 7.907 12.924 8.954 339 2HB ASN 49 HB1 ASN 49 8.011 11.176 8.848 340 1HD2 ASN 49 HD21 ASN 49 9.859 11.174 6.614 341 2HD2 ASN 49 HD22 ASN 49 11.389 11.687 7.252 342 H ASN 50 HN ASN 50 7.329 14.543 7.684 343 HA ASN 50 HA ASN 50 8.096 16.579 7.061 344 1HB ASN 50 HB2 ASN 50 9.848 15.069 5.125 345 2HB ASN 50 HB1 ASN 50 9.909 16.802 5.386 346 1HD2 ASN 50 HD21 ASN 50 9.408 16.513 8.285 347 2HD2 ASN 50 HD22 ASN 50 10.923 15.966 8.953 348 H GLY 51 HN GLY 51 6.775 14.392 4.738 349 1HA GLY 51 HA2 GLY 51 4.747 15.042 3.659 350 2HA GLY 51 HA1 GLY 51 5.346 16.703 3.633 351 H VAL 52 HN VAL 52 7.587 16.778 2.324 352 HA VAL 52 HA VAL 52 6.809 16.365 -0.320 353 HB VAL 52 HB VAL 52 9.203 17.125 -0.833 354 1HG1 VAL 52 HG11 VAL 52 7.387 18.829 0.877 355 2HG1 VAL 52 HG12 VAL 52 7.302 18.641 -0.869 356 3HG1 VAL 52 HG13 VAL 52 8.689 19.453 -0.148 357 1HG2 VAL 52 HG21 VAL 52 10.200 16.383 1.288 358 2HG2 VAL 52 HG22 VAL 52 9.214 17.546 2.158 359 3HG2 VAL 52 HG23 VAL 52 10.443 18.109 1.035 360 HA PRO 53 HA PRO 53 8.110 12.671 -2.105 361 1HB PRO 53 HB2 PRO 53 10.514 13.458 -3.421 362 2HB PRO 53 HB1 PRO 53 8.905 13.225 -4.110 363 1HG PRO 53 HG2 PRO 53 10.222 15.719 -3.208 364 2HG PRO 53 HG1 PRO 53 8.965 15.466 -4.438 365 1HD PRO 53 HD2 PRO 53 8.396 16.581 -2.070 366 2HD PRO 53 HD1 PRO 53 7.248 15.458 -2.846 367 HA PRO 54 HA PRO 54 12.810 12.000 -0.486 368 1HB PRO 54 HB2 PRO 54 12.845 13.377 1.991 369 2HB PRO 54 HB1 PRO 54 13.856 13.691 0.575 370 1HG PRO 54 HG2 PRO 54 11.317 14.995 1.437 371 2HG PRO 54 HG1 PRO 54 12.724 15.701 0.613 372 1HD PRO 54 HD2 PRO 54 10.499 15.221 -0.748 373 2HD PRO 54 HD1 PRO 54 12.084 14.834 -1.461 374 H VAL 55 HN VAL 55 13.156 10.339 0.815 375 HA VAL 55 HA VAL 55 11.085 9.496 2.691 376 HB VAL 55 HB VAL 55 10.537 8.393 0.538 377 1HG1 VAL 55 HG11 VAL 55 12.733 8.235 -0.440 378 2HG1 VAL 55 HG12 VAL 55 12.008 6.636 -0.355 379 3HG1 VAL 55 HG13 VAL 55 13.246 7.098 0.817 380 1HG2 VAL 55 HG21 VAL 55 11.511 6.564 2.720 381 2HG2 VAL 55 HG22 VAL 55 10.439 6.097 1.399 382 3HG2 VAL 55 HG23 VAL 55 9.899 7.297 2.565 383 H GLN 56 HN GLN 56 11.842 8.175 4.385 384 HA GLN 56 HA GLN 56 14.737 8.414 4.690 385 1HB GLN 56 HB2 GLN 56 13.413 9.371 6.503 386 2HB GLN 56 HB1 GLN 56 12.598 7.831 6.746 387 1HG GLN 56 HG2 GLN 56 14.261 8.118 8.445 388 2HG GLN 56 HG1 GLN 56 14.717 6.797 7.392 389 1HE2 GLN 56 HE21 GLN 56 16.346 8.513 9.171 390 2HE2 GLN 56 HE22 GLN 56 17.579 9.154 8.144 391 H VAL 57 HN VAL 57 15.865 6.728 4.023 392 HA VAL 57 HA VAL 57 14.770 4.028 4.524 393 HB VAL 57 HB VAL 57 16.284 4.960 2.067 394 1HG1 VAL 57 HG11 VAL 57 16.863 2.655 2.692 395 2HG1 VAL 57 HG12 VAL 57 15.933 2.700 1.190 396 3HG1 VAL 57 HG13 VAL 57 15.153 2.231 2.702 397 1HG2 VAL 57 HG21 VAL 57 14.214 4.484 0.857 398 2HG2 VAL 57 HG22 VAL 57 13.953 5.716 2.099 399 3HG2 VAL 57 HG23 VAL 57 13.411 4.062 2.377 400 H PHE 58 HN PHE 58 16.164 2.560 5.339 401 HA PHE 58 HA PHE 58 18.844 3.492 5.998 402 1HB PHE 58 HB2 PHE 58 17.644 2.582 7.864 403 2HB PHE 58 HB1 PHE 58 17.197 1.141 6.950 404 HD1 PHE 58 HD1 PHE 58 20.091 2.978 8.412 405 HD2 PHE 58 HD2 PHE 58 18.585 -0.729 6.958 406 HE1 PHE 58 HE1 PHE 58 22.108 1.839 9.243 407 HE2 PHE 58 HE2 PHE 58 20.610 -1.872 7.768 408 HZ PHE 58 HZ PHE 58 22.364 -0.592 8.920 409 H TRP 59 HN TRP 59 20.481 2.935 4.751 410 HA TRP 59 HA TRP 59 20.084 0.733 2.849 411 1HB TRP 59 HB2 TRP 59 22.153 2.924 2.918 412 2HB TRP 59 HB1 TRP 59 22.047 1.678 1.672 413 HD1 TRP 59 HD1 TRP 59 20.583 5.016 2.638 414 HE1 TRP 59 HE1 TRP 59 18.784 5.695 0.919 415 HE3 TRP 59 HE3 TRP 59 20.203 0.620 0.090 416 HZ2 TRP 59 HZ2 TRP 59 17.391 4.511 -1.213 417 HZ3 TRP 59 HZ3 TRP 59 18.600 0.470 -1.766 418 HH2 TRP 59 HH2 TRP 59 17.228 2.382 -2.411 419 H GLU 60 HN GLU 60 20.888 -1.182 3.308 420 HA GLU 60 HA GLU 60 22.349 -1.517 5.728 421 1HB GLU 60 HB2 GLU 60 22.238 -3.987 5.129 422 2HB GLU 60 HB1 GLU 60 20.685 -3.158 5.304 423 1HG GLU 60 HG2 GLU 60 20.550 -2.935 2.842 424 2HG GLU 60 HG1 GLU 60 22.080 -3.812 2.694 425 H SER 61 HN SER 61 23.106 -1.532 2.386 426 HA SER 61 HA SER 61 25.570 -2.843 2.403 427 1HB SER 61 HB2 SER 61 25.983 -1.468 0.280 428 2HB SER 61 HB1 SER 61 24.582 -2.537 0.305 429 HG SER 61 HG SER 61 24.296 -0.265 -0.452 430 H THR 62 HN THR 62 24.744 0.518 3.082 431 HA THR 62 HA THR 62 27.570 1.067 3.605 432 HB THR 62 HB THR 62 26.725 3.452 3.773 433 HG1 THR 62 HG1 THR 62 24.616 3.086 2.161 434 1HG2 THR 62 HG21 THR 62 26.507 1.970 1.143 435 2HG2 THR 62 HG22 THR 62 27.965 2.680 1.828 436 3HG2 THR 62 HG23 THR 62 26.640 3.725 1.307 437 H GLY 63 HN GLY 63 24.492 0.715 5.093 438 1HA GLY 63 HA2 GLY 63 24.047 0.362 7.369 439 2HA GLY 63 HA1 GLY 63 25.706 0.850 7.737 440 H ARG 64 HN ARG 64 23.963 2.898 5.669 441 HA ARG 64 HA ARG 64 23.628 4.834 7.850 442 1HB ARG 64 HB2 ARG 64 24.382 5.237 4.960 443 2HB ARG 64 HB1 ARG 64 23.928 6.557 6.024 444 1HG ARG 64 HG2 ARG 64 25.820 6.175 7.434 445 2HG ARG 64 HG1 ARG 64 26.242 4.707 6.550 446 1HD ARG 64 HD2 ARG 64 27.617 6.738 5.970 447 2HD ARG 64 HD1 ARG 64 26.818 5.948 4.599 448 HE ARG 64 HE ARG 64 25.206 8.042 5.677 449 1HH1 ARG 64 HH11 ARG 64 28.012 7.453 3.689 450 2HH1 ARG 64 HH12 ARG 64 27.815 8.914 2.736 451 1HH2 ARG 64 HH21 ARG 64 24.909 9.915 4.420 452 2HH2 ARG 64 HH22 ARG 64 26.016 10.289 3.134 453 H THR 65 HN THR 65 21.729 5.903 8.029 454 HA THR 65 HA THR 65 19.547 5.274 6.228 455 HB THR 65 HB THR 65 18.347 7.004 7.660 456 HG1 THR 65 HG1 THR 65 20.902 7.193 8.677 457 1HG2 THR 65 HG21 THR 65 18.098 4.612 8.053 458 2HG2 THR 65 HG22 THR 65 18.105 5.494 9.570 459 3HG2 THR 65 HG23 THR 65 19.553 4.611 9.063 460 H TYR 66 HN TYR 66 18.601 6.729 4.785 461 HA TYR 66 HA TYR 66 19.755 9.346 4.402 462 1HB TYR 66 HB2 TYR 66 21.291 7.660 3.253 463 2HB TYR 66 HB1 TYR 66 19.971 7.395 2.111 464 HD1 TYR 66 HD1 TYR 66 19.716 8.829 0.274 465 HD2 TYR 66 HD2 TYR 66 22.197 10.034 3.509 466 HE1 TYR 66 HE1 TYR 66 20.465 10.766 -1.039 467 HE2 TYR 66 HE2 TYR 66 22.966 11.973 2.209 468 HH TYR 66 HH TYR 66 23.149 12.676 -0.120 469 H TRP 67 HN TRP 67 18.500 10.697 3.069 470 HA TRP 67 HA TRP 67 15.790 9.713 2.664 471 1HB TRP 67 HB2 TRP 67 16.935 12.502 2.428 472 2HB TRP 67 HB1 TRP 67 15.241 12.092 2.266 473 HD1 TRP 67 HD1 TRP 67 13.878 11.589 4.500 474 HE1 TRP 67 HE1 TRP 67 14.371 12.038 6.981 475 HE3 TRP 67 HE3 TRP 67 18.883 12.599 4.143 476 HZ2 TRP 67 HZ2 TRP 67 16.589 12.745 8.563 477 HZ3 TRP 67 HZ3 TRP 67 20.104 13.153 6.193 478 HH2 TRP 67 HH2 TRP 67 18.989 13.210 8.362 479 H VAL 68 HN VAL 68 15.272 8.873 0.739 480 HA VAL 68 HA VAL 68 16.673 9.889 -1.669 481 HB VAL 68 HB VAL 68 15.329 7.175 -1.556 482 1HG1 VAL 68 HG11 VAL 68 17.240 6.619 -3.088 483 2HG1 VAL 68 HG12 VAL 68 17.678 8.331 -3.071 484 3HG1 VAL 68 HG13 VAL 68 16.120 7.818 -3.704 485 1HG2 VAL 68 HG21 VAL 68 16.673 7.068 0.400 486 2HG2 VAL 68 HG22 VAL 68 18.047 7.816 -0.413 487 3HG2 VAL 68 HG23 VAL 68 17.532 6.200 -0.860 488 H HIS 69 HN HIS 69 15.108 9.231 -3.682 489 HA HIS 69 HA HIS 69 12.403 10.139 -2.921 490 1HB HIS 69 HB2 HIS 69 13.932 10.372 -5.523 491 2HB HIS 69 HB1 HIS 69 12.195 10.689 -5.401 492 HD1 HIS 69 HD1 HIS 69 11.871 13.122 -5.433 493 HD2 HIS 69 HD2 HIS 69 15.154 12.018 -3.134 494 HE1 HIS 69 HE1 HIS 69 12.748 15.264 -4.422 495 HE2 HIS 69 HE2 HIS 69 14.663 14.543 -2.930 496 H TRP 70 HN TRP 70 10.608 9.003 -3.461 497 HA TRP 70 HA TRP 70 10.633 6.266 -3.608 498 1HB TRP 70 HB2 TRP 70 8.451 8.036 -4.749 499 2HB TRP 70 HB1 TRP 70 8.289 6.356 -4.194 500 HD1 TRP 70 HD1 TRP 70 8.523 9.934 -2.897 501 HE1 TRP 70 HE1 TRP 70 7.850 9.963 -0.418 502 HE3 TRP 70 HE3 TRP 70 8.309 4.898 -2.073 503 HZ2 TRP 70 HZ2 TRP 70 7.276 8.107 1.605 504 HZ3 TRP 70 HZ3 TRP 70 7.670 4.108 0.154 505 HH2 TRP 70 HH2 TRP 70 7.168 5.664 1.969 506 H HIS 71 HN HIS 71 10.646 8.506 -6.328 507 HA HIS 71 HA HIS 71 9.606 6.644 -8.191 508 1HB HIS 71 HB2 HIS 71 9.903 8.306 -9.861 509 2HB HIS 71 HB1 HIS 71 9.486 9.163 -8.376 510 HD1 HIS 71 HD1 HIS 71 11.699 9.439 -11.124 511 HD2 HIS 71 HD2 HIS 71 12.130 9.948 -7.020 512 HE1 HIS 71 HE1 HIS 71 13.738 10.867 -10.835 513 HE2 HIS 71 HE2 HIS 71 13.971 11.213 -8.334 514 H MET 72 HN MET 72 12.641 6.684 -6.809 515 HA MET 72 HA MET 72 13.849 5.452 -9.207 516 1HB MET 72 HB2 MET 72 16.021 6.257 -8.402 517 2HB MET 72 HB1 MET 72 14.888 7.588 -8.653 518 1HG MET 72 HG2 MET 72 14.409 7.062 -6.063 519 2HG MET 72 HG1 MET 72 16.096 6.569 -6.163 520 1HE MET 72 HE1 MET 72 18.011 8.177 -7.148 521 2HE MET 72 HE2 MET 72 17.774 9.883 -7.511 522 3HE MET 72 HE3 MET 72 17.034 8.648 -8.544 523 H LEU 73 HN LEU 73 12.386 4.503 -6.619 524 HA LEU 73 HA LEU 73 14.385 2.456 -5.877 525 1HB LEU 73 HB2 LEU 73 12.332 3.898 -4.238 526 2HB LEU 73 HB1 LEU 73 12.728 2.248 -3.818 527 HG LEU 73 HG LEU 73 15.112 2.944 -3.612 528 1HD1 LEU 73 HD11 LEU 73 15.623 5.300 -3.377 529 2HD1 LEU 73 HD12 LEU 73 13.978 5.716 -3.845 530 3HD1 LEU 73 HD13 LEU 73 15.056 4.944 -5.005 531 1HD2 LEU 73 HD21 LEU 73 13.723 2.695 -1.646 532 2HD2 LEU 73 HD22 LEU 73 13.092 4.335 -1.833 533 3HD2 LEU 73 HD23 LEU 73 14.792 4.082 -1.449 534 H GLU 74 HN GLU 74 13.747 0.332 -5.860 535 HA GLU 74 HA GLU 74 11.078 -0.270 -6.897 536 1HB GLU 74 HB2 GLU 74 13.082 -1.208 -8.089 537 2HB GLU 74 HB1 GLU 74 13.450 -2.104 -6.619 538 1HG GLU 74 HG2 GLU 74 12.281 -3.403 -8.376 539 2HG GLU 74 HG1 GLU 74 11.473 -3.412 -6.807 540 H ILE 75 HN ILE 75 9.665 -1.549 -5.736 541 HA ILE 75 HA ILE 75 10.372 -1.787 -2.894 542 HB ILE 75 HB ILE 75 7.960 -1.954 -2.462 543 1HG1 ILE 75 HG12 ILE 75 7.695 -1.648 -5.471 544 2HG1 ILE 75 HG11 ILE 75 7.253 -3.041 -4.499 545 1HG2 ILE 75 HG21 ILE 75 9.080 0.251 -2.576 546 2HG2 ILE 75 HG22 ILE 75 7.356 0.314 -2.977 547 3HG2 ILE 75 HG23 ILE 75 8.565 0.389 -4.266 548 1HD1 ILE 75 HD11 ILE 75 5.307 -1.775 -5.161 549 2HD1 ILE 75 HD12 ILE 75 5.970 -0.333 -4.364 550 3HD1 ILE 75 HD13 ILE 75 5.523 -1.746 -3.402 551 H LEU 76 HN LEU 76 10.591 -3.720 -1.949 552 HA LEU 76 HA LEU 76 10.152 -6.093 -3.615 553 1HB LEU 76 HB2 LEU 76 11.886 -5.523 -1.235 554 2HB LEU 76 HB1 LEU 76 11.485 -7.173 -1.652 555 HG LEU 76 HG LEU 76 13.611 -6.712 -2.588 556 1HD1 LEU 76 HD11 LEU 76 11.559 -6.509 -4.771 557 2HD1 LEU 76 HD12 LEU 76 12.100 -7.999 -4.011 558 3HD1 LEU 76 HD13 LEU 76 13.226 -7.037 -4.976 559 1HD2 LEU 76 HD21 LEU 76 13.983 -4.845 -4.169 560 2HD2 LEU 76 HD22 LEU 76 13.626 -4.319 -2.525 561 3HD2 LEU 76 HD23 LEU 76 12.382 -4.251 -3.777 562 H GLY 77 HN GLY 77 8.591 -4.419 -1.189 563 1HA GLY 77 HA2 GLY 77 6.781 -4.901 0.108 564 2HA GLY 77 HA1 GLY 77 6.620 -6.413 -0.797 565 H PHE 78 HN PHE 78 6.085 -7.564 1.128 566 HA PHE 78 HA PHE 78 8.475 -8.515 2.487 567 1HB PHE 78 HB2 PHE 78 7.699 -6.614 3.902 568 2HB PHE 78 HB1 PHE 78 6.142 -7.440 4.095 569 HD1 PHE 78 HD1 PHE 78 9.772 -7.731 4.785 570 HD2 PHE 78 HD2 PHE 78 5.855 -9.095 5.725 571 HE1 PHE 78 HE1 PHE 78 10.651 -8.956 6.736 572 HE2 PHE 78 HE2 PHE 78 6.744 -10.309 7.681 573 HZ PHE 78 HZ PHE 78 9.148 -10.244 8.183 574 H GLU 79 HN GLU 79 4.932 -8.614 2.642 575 HA GLU 79 HA GLU 79 4.916 -11.430 3.263 576 1HB GLU 79 HB2 GLU 79 3.316 -9.784 4.217 577 2HB GLU 79 HB1 GLU 79 2.631 -9.553 2.619 578 1HG GLU 79 HG2 GLU 79 2.101 -12.003 2.604 579 2HG GLU 79 HG1 GLU 79 2.556 -12.029 4.308 580 H GLU 80 HN GLU 80 4.802 -9.387 0.565 581 HA GLU 80 HA GLU 80 3.408 -11.081 -1.268 582 1HB GLU 80 HB2 GLU 80 5.210 -8.725 -1.799 583 2HB GLU 80 HB1 GLU 80 4.144 -9.463 -2.965 584 1HG GLU 80 HG2 GLU 80 3.214 -7.409 -2.133 585 2HG GLU 80 HG1 GLU 80 2.229 -8.765 -1.641 Start of MODEL 20 1 H MET 4 HN MET 4 13.663 8.919 -15.784 2 HA MET 4 HA MET 4 14.608 6.379 -14.827 3 1HB MET 4 HB2 MET 4 13.974 7.206 -12.619 4 2HB MET 4 HB1 MET 4 14.890 8.441 -13.497 5 1HG MET 4 HG2 MET 4 11.883 8.377 -13.271 6 2HG MET 4 HG1 MET 4 12.938 9.285 -12.206 7 1HE MET 4 HE1 MET 4 15.201 10.402 -14.160 8 2HE MET 4 HE2 MET 4 14.366 11.364 -12.934 9 3HE MET 4 HE3 MET 4 14.480 11.962 -14.581 10 H ARG 5 HN ARG 5 12.967 5.420 -13.043 11 HA ARG 5 HA ARG 5 11.014 4.038 -14.467 12 1HB ARG 5 HB2 ARG 5 12.131 3.435 -12.243 13 2HB ARG 5 HB1 ARG 5 10.901 4.441 -11.487 14 1HG ARG 5 HG2 ARG 5 10.322 2.072 -11.455 15 2HG ARG 5 HG1 ARG 5 9.160 3.038 -12.389 16 1HD ARG 5 HD2 ARG 5 10.284 2.380 -14.478 17 2HD ARG 5 HD1 ARG 5 11.429 1.421 -13.538 18 HE ARG 5 HE ARG 5 9.135 0.314 -12.775 19 1HH1 ARG 5 HH11 ARG 5 10.150 1.337 -15.967 20 2HH1 ARG 5 HH12 ARG 5 9.341 0.054 -16.788 21 1HH2 ARG 5 HH21 ARG 5 7.980 -1.349 -13.861 22 2HH2 ARG 5 HH22 ARG 5 8.071 -1.479 -15.601 23 H SER 6 HN SER 6 10.883 7.107 -12.947 24 HA SER 6 HA SER 6 8.126 7.319 -12.420 25 1HB SER 6 HB2 SER 6 10.120 9.524 -12.910 26 2HB SER 6 HB1 SER 6 8.588 9.672 -12.050 27 HG SER 6 HG SER 6 9.900 7.698 -10.927 28 H GLU 7 HN GLU 7 9.030 6.648 -15.343 29 HA GLU 7 HA GLU 7 8.148 8.776 -16.990 30 1HB GLU 7 HB2 GLU 7 8.459 5.803 -17.498 31 2HB GLU 7 HB1 GLU 7 7.950 6.946 -18.728 32 1HG GLU 7 HG2 GLU 7 10.052 8.168 -18.439 33 2HG GLU 7 HG1 GLU 7 10.544 6.998 -17.227 34 H PHE 8 HN PHE 8 6.238 7.616 -14.812 35 HA PHE 8 HA PHE 8 3.985 6.642 -16.308 36 1HB PHE 8 HB2 PHE 8 4.352 7.445 -13.425 37 2HB PHE 8 HB1 PHE 8 2.783 6.959 -14.071 38 HD1 PHE 8 HD1 PHE 8 6.247 5.807 -13.466 39 HD2 PHE 8 HD2 PHE 8 2.244 4.726 -14.424 40 HE1 PHE 8 HE1 PHE 8 6.829 3.436 -13.136 41 HE2 PHE 8 HE2 PHE 8 2.816 2.340 -14.123 42 HZ PHE 8 HZ PHE 8 5.114 1.706 -13.489 43 H ALA 9 HN ALA 9 1.766 7.848 -15.525 44 HA ALA 9 HA ALA 9 1.567 9.873 -17.401 45 1HB ALA 9 HB1 ALA 9 -0.302 9.395 -15.074 46 2HB ALA 9 HB2 ALA 9 -0.313 8.518 -16.599 47 3HB ALA 9 HB3 ALA 9 -0.680 10.243 -16.577 48 H SER 10 HN SER 10 1.712 10.213 -13.858 49 HA SER 10 HA SER 10 2.181 13.088 -14.256 50 1HB SER 10 HB2 SER 10 1.441 11.637 -11.707 51 2HB SER 10 HB1 SER 10 1.523 13.385 -11.958 52 HG SER 10 HG SER 10 -0.116 12.992 -13.641 53 H GLY 11 HN GLY 11 3.863 10.337 -13.979 54 1HA GLY 11 HA2 GLY 11 6.095 9.920 -13.559 55 2HA GLY 11 HA1 GLY 11 6.281 11.611 -13.126 56 H ASN 12 HN ASN 12 5.000 12.135 -11.023 57 HA ASN 12 HA ASN 12 6.253 10.852 -8.884 58 1HB ASN 12 HB2 ASN 12 4.612 12.095 -7.456 59 2HB ASN 12 HB1 ASN 12 5.492 13.085 -8.598 60 1HD2 ASN 12 HD21 ASN 12 3.993 14.708 -8.607 61 2HD2 ASN 12 HD22 ASN 12 2.419 14.542 -9.331 62 H THR 13 HN THR 13 3.364 9.953 -10.604 63 HA THR 13 HA THR 13 1.819 8.725 -8.730 64 HB THR 13 HB THR 13 2.275 7.454 -11.408 65 HG1 THR 13 HG1 THR 13 0.582 9.718 -11.109 66 1HG2 THR 13 HG21 THR 13 -0.219 8.032 -9.797 67 2HG2 THR 13 HG22 THR 13 0.597 6.471 -9.913 68 3HG2 THR 13 HG23 THR 13 -0.162 7.188 -11.341 69 H TYR 14 HN TYR 14 4.792 7.500 -10.192 70 HA TYR 14 HA TYR 14 4.529 4.816 -9.380 71 1HB TYR 14 HB2 TYR 14 6.243 5.641 -11.020 72 2HB TYR 14 HB1 TYR 14 7.098 6.363 -9.672 73 HD1 TYR 14 HD1 TYR 14 8.597 5.077 -8.378 74 HD2 TYR 14 HD2 TYR 14 5.907 3.121 -11.033 75 HE1 TYR 14 HE1 TYR 14 9.770 2.939 -7.965 76 HE2 TYR 14 HE2 TYR 14 7.061 0.993 -10.656 77 HH TYR 14 HH TYR 14 9.424 0.281 -9.919 78 H ALA 15 HN ALA 15 5.947 7.648 -7.861 79 HA ALA 15 HA ALA 15 6.837 6.385 -5.512 80 1HB ALA 15 HB1 ALA 15 6.120 9.269 -6.021 81 2HB ALA 15 HB2 ALA 15 7.711 8.535 -6.256 82 3HB ALA 15 HB3 ALA 15 7.030 8.664 -4.640 83 H LEU 16 HN LEU 16 3.768 7.527 -6.573 84 HA LEU 16 HA LEU 16 2.582 7.758 -3.996 85 1HB LEU 16 HB2 LEU 16 1.787 9.009 -6.001 86 2HB LEU 16 HB1 LEU 16 1.257 7.490 -6.699 87 HG LEU 16 HG LEU 16 -0.301 7.226 -4.777 88 1HD1 LEU 16 HD11 LEU 16 -0.797 9.187 -3.404 89 2HD1 LEU 16 HD12 LEU 16 0.541 10.047 -4.171 90 3HD1 LEU 16 HD13 LEU 16 0.859 8.637 -3.172 91 1HD2 LEU 16 HD21 LEU 16 -1.932 8.810 -5.581 92 2HD2 LEU 16 HD22 LEU 16 -1.032 8.098 -6.922 93 3HD2 LEU 16 HD23 LEU 16 -0.660 9.731 -6.391 94 H TYR 17 HN TYR 17 2.402 5.478 -6.675 95 HA TYR 17 HA TYR 17 0.696 3.583 -5.554 96 1HB TYR 17 HB2 TYR 17 1.256 3.524 -7.895 97 2HB TYR 17 HB1 TYR 17 2.974 3.330 -7.532 98 HD1 TYR 17 HD1 TYR 17 -0.317 1.637 -7.435 99 HD2 TYR 17 HD2 TYR 17 3.906 1.199 -7.230 100 HE1 TYR 17 HE1 TYR 17 -0.574 -0.815 -7.623 101 HE2 TYR 17 HE2 TYR 17 3.681 -1.252 -7.406 102 HH TYR 17 HH TYR 17 1.954 -2.987 -6.948 103 H VAL 18 HN VAL 18 4.243 3.505 -5.650 104 HA VAL 18 HA VAL 18 4.550 1.236 -4.057 105 HB VAL 18 HB VAL 18 6.875 1.908 -3.685 106 1HG1 VAL 18 HG11 VAL 18 7.578 2.069 -6.024 107 2HG1 VAL 18 HG12 VAL 18 5.907 2.412 -6.493 108 3HG1 VAL 18 HG13 VAL 18 6.321 0.859 -5.770 109 1HG2 VAL 18 HG21 VAL 18 6.533 4.277 -3.271 110 2HG2 VAL 18 HG22 VAL 18 6.086 4.521 -4.958 111 3HG2 VAL 18 HG23 VAL 18 7.728 4.036 -4.538 112 H ARG 19 HN ARG 19 4.237 4.593 -3.089 113 HA ARG 19 HA ARG 19 4.972 4.519 -0.484 114 1HB ARG 19 HB2 ARG 19 4.305 6.500 -1.768 115 2HB ARG 19 HB1 ARG 19 2.626 6.031 -1.593 116 1HG ARG 19 HG2 ARG 19 2.688 6.353 0.750 117 2HG ARG 19 HG1 ARG 19 4.438 6.635 0.725 118 1HD ARG 19 HD2 ARG 19 2.284 8.347 -0.519 119 2HD ARG 19 HD1 ARG 19 3.288 8.733 0.880 120 HE ARG 19 HE ARG 19 5.163 8.384 -0.933 121 1HH1 ARG 19 HH11 ARG 19 2.153 10.120 -1.213 122 2HH1 ARG 19 HH12 ARG 19 2.718 11.172 -2.476 123 1HH2 ARG 19 HH21 ARG 19 5.931 9.756 -2.570 124 2HH2 ARG 19 HH22 ARG 19 4.878 10.948 -3.260 125 H ASP 20 HN ASP 20 1.832 3.514 -1.791 126 HA ASP 20 HA ASP 20 0.528 3.182 0.694 127 1HB ASP 20 HB2 ASP 20 -0.730 3.288 -1.403 128 2HB ASP 20 HB1 ASP 20 0.012 1.775 -1.935 129 H THR 21 HN THR 21 2.417 0.978 -1.287 130 HA THR 21 HA THR 21 1.913 -1.299 0.406 131 HB THR 21 HB THR 21 4.047 -1.001 -1.712 132 HG1 THR 21 HG1 THR 21 1.239 -1.477 -1.909 133 1HG2 THR 21 HG21 THR 21 4.226 -3.000 -0.360 134 2HG2 THR 21 HG22 THR 21 3.690 -3.415 -1.987 135 3HG2 THR 21 HG23 THR 21 2.532 -3.397 -0.669 136 H LEU 22 HN LEU 22 4.220 1.250 0.210 137 HA LEU 22 HA LEU 22 6.331 -0.165 1.530 138 1HB LEU 22 HB2 LEU 22 6.676 1.610 -0.178 139 2HB LEU 22 HB1 LEU 22 6.065 2.789 0.974 140 HG LEU 22 HG LEU 22 7.931 2.289 2.495 141 1HD1 LEU 22 HD11 LEU 22 8.275 -0.044 1.872 142 2HD1 LEU 22 HD12 LEU 22 9.766 0.880 1.717 143 3HD1 LEU 22 HD13 LEU 22 8.848 0.457 0.278 144 1HD2 LEU 22 HD21 LEU 22 8.769 2.908 -0.334 145 2HD2 LEU 22 HD22 LEU 22 9.726 3.224 1.116 146 3HD2 LEU 22 HD23 LEU 22 8.210 4.070 0.862 147 H GLN 23 HN GLN 23 5.362 -0.809 3.460 148 HA GLN 23 HA GLN 23 4.787 1.254 5.433 149 1HB GLN 23 HB2 GLN 23 4.216 -1.625 5.172 150 2HB GLN 23 HB1 GLN 23 4.683 -1.120 6.792 151 1HG GLN 23 HG2 GLN 23 2.377 -1.015 6.802 152 2HG GLN 23 HG1 GLN 23 2.900 0.658 6.601 153 1HE2 GLN 23 HE21 GLN 23 3.512 0.345 3.766 154 2HE2 GLN 23 HE22 GLN 23 1.980 0.248 2.948 155 HA PRO 24 HA PRO 24 8.767 1.176 7.462 156 1HB PRO 24 HB2 PRO 24 7.309 0.472 9.948 157 2HB PRO 24 HB1 PRO 24 8.471 1.776 9.637 158 1HG PRO 24 HG2 PRO 24 5.837 2.258 9.858 159 2HG PRO 24 HG1 PRO 24 6.868 3.167 8.718 160 1HD PRO 24 HD2 PRO 24 4.893 0.996 8.174 161 2HD PRO 24 HD1 PRO 24 5.363 2.382 7.174 162 H GLY 25 HN GLY 25 10.033 -0.538 7.065 163 1HA GLY 25 HA2 GLY 25 10.850 -2.648 8.071 164 2HA GLY 25 HA1 GLY 25 9.186 -3.165 8.100 165 H MET 26 HN MET 26 8.895 -1.734 5.421 166 HA MET 26 HA MET 26 9.388 -3.991 3.771 167 1HB MET 26 HB2 MET 26 8.623 -1.149 3.090 168 2HB MET 26 HB1 MET 26 8.750 -2.420 1.894 169 1HG MET 26 HG2 MET 26 6.930 -2.519 4.270 170 2HG MET 26 HG1 MET 26 6.452 -1.970 2.665 171 1HE MET 26 HE1 MET 26 4.653 -4.089 3.769 172 2HE MET 26 HE2 MET 26 4.603 -5.202 2.399 173 3HE MET 26 HE3 MET 26 4.669 -3.454 2.119 174 H ARG 27 HN ARG 27 11.085 -4.518 2.565 175 HA ARG 27 HA ARG 27 13.397 -2.787 2.538 176 1HB ARG 27 HB2 ARG 27 12.878 -5.554 1.510 177 2HB ARG 27 HB1 ARG 27 14.326 -4.683 1.025 178 1HG ARG 27 HG2 ARG 27 14.931 -6.028 2.867 179 2HG ARG 27 HG1 ARG 27 14.784 -4.385 3.508 180 1HD ARG 27 HD2 ARG 27 12.453 -4.976 4.199 181 2HD ARG 27 HD1 ARG 27 12.803 -6.642 3.730 182 HE ARG 27 HE ARG 27 13.778 -5.237 6.082 183 1HH1 ARG 27 HH11 ARG 27 14.231 -7.979 3.944 184 2HH1 ARG 27 HH12 ARG 27 15.051 -8.930 5.149 185 1HH2 ARG 27 HH21 ARG 27 14.800 -6.520 7.662 186 2HH2 ARG 27 HH22 ARG 27 15.311 -8.132 7.265 187 H VAL 28 HN VAL 28 14.389 -1.927 0.722 188 HA VAL 28 HA VAL 28 12.647 -1.659 -1.628 189 HB VAL 28 HB VAL 28 13.350 0.678 -1.859 190 1HG1 VAL 28 HG11 VAL 28 12.145 0.047 0.835 191 2HG1 VAL 28 HG12 VAL 28 11.271 0.209 -0.682 192 3HG1 VAL 28 HG13 VAL 28 12.088 1.612 0.024 193 1HG2 VAL 28 HG21 VAL 28 14.718 0.249 0.776 194 2HG2 VAL 28 HG22 VAL 28 14.534 1.795 -0.045 195 3HG2 VAL 28 HG23 VAL 28 15.511 0.521 -0.775 196 H ARG 29 HN ARG 29 13.641 -1.148 -3.588 197 HA ARG 29 HA ARG 29 16.480 -1.936 -3.752 198 1HB ARG 29 HB2 ARG 29 14.994 -3.553 -4.839 199 2HB ARG 29 HB1 ARG 29 14.253 -2.274 -5.789 200 1HG ARG 29 HG2 ARG 29 15.744 -3.326 -7.244 201 2HG ARG 29 HG1 ARG 29 16.588 -1.854 -6.712 202 1HD ARG 29 HD2 ARG 29 18.147 -3.650 -6.652 203 2HD ARG 29 HD1 ARG 29 17.744 -3.245 -4.984 204 HE ARG 29 HE ARG 29 16.040 -5.296 -5.814 205 1HH1 ARG 29 HH11 ARG 29 19.456 -4.795 -5.314 206 2HH1 ARG 29 HH12 ARG 29 19.773 -6.453 -4.884 207 1HH2 ARG 29 HH21 ARG 29 16.434 -7.496 -5.185 208 2HH2 ARG 29 HH22 ARG 29 18.062 -7.970 -4.758 209 H MET 30 HN MET 30 17.804 -0.319 -4.381 210 HA MET 30 HA MET 30 16.714 2.196 -5.244 211 1HB MET 30 HB2 MET 30 18.785 1.925 -3.824 212 2HB MET 30 HB1 MET 30 19.612 1.300 -5.238 213 1HG MET 30 HG2 MET 30 20.105 3.665 -4.851 214 2HG MET 30 HG1 MET 30 19.299 3.399 -6.400 215 1HE MET 30 HE1 MET 30 19.143 6.099 -6.193 216 2HE MET 30 HE2 MET 30 19.605 6.193 -4.491 217 3HE MET 30 HE3 MET 30 18.100 6.929 -5.027 218 H LEU 31 HN LEU 31 16.208 2.749 -7.257 219 HA LEU 31 HA LEU 31 16.966 0.881 -9.377 220 1HB LEU 31 HB2 LEU 31 14.936 3.108 -9.334 221 2HB LEU 31 HB1 LEU 31 15.231 2.033 -10.690 222 HG LEU 31 HG LEU 31 14.218 1.189 -7.989 223 1HD1 LEU 31 HD11 LEU 31 12.549 2.429 -9.219 224 2HD1 LEU 31 HD12 LEU 31 12.131 0.721 -9.170 225 3HD1 LEU 31 HD13 LEU 31 12.822 1.418 -10.646 226 1HD2 LEU 31 HD21 LEU 31 13.885 -0.995 -9.037 227 2HD2 LEU 31 HD22 LEU 31 15.584 -0.545 -9.057 228 3HD2 LEU 31 HD23 LEU 31 14.613 -0.402 -10.520 229 H ASP 32 HN ASP 32 17.846 3.989 -8.281 230 HA ASP 32 HA ASP 32 19.196 4.506 -10.835 231 1HB ASP 32 HB2 ASP 32 17.051 5.844 -10.583 232 2HB ASP 32 HB1 ASP 32 17.841 6.678 -9.260 233 H ASP 33 HN ASP 33 21.099 5.911 -10.626 234 HA ASP 33 HA ASP 33 22.440 5.440 -8.090 235 1HB ASP 33 HB2 ASP 33 23.613 4.991 -10.229 236 2HB ASP 33 HB1 ASP 33 23.452 6.688 -10.660 237 H TYR 34 HN TYR 34 22.800 6.977 -6.577 238 HA TYR 34 HA TYR 34 22.382 9.770 -7.222 239 1HB TYR 34 HB2 TYR 34 20.132 8.954 -6.820 240 2HB TYR 34 HB1 TYR 34 20.624 8.253 -5.284 241 HD1 TYR 34 HD1 TYR 34 20.322 11.537 -7.052 242 HD2 TYR 34 HD2 TYR 34 20.375 9.477 -3.338 243 HE1 TYR 34 HE1 TYR 34 19.618 13.593 -5.902 244 HE2 TYR 34 HE2 TYR 34 19.656 11.522 -2.178 245 HH TYR 34 HH TYR 34 19.676 13.902 -2.504 246 H GLU 35 HN GLU 35 24.332 10.393 -6.500 247 HA GLU 35 HA GLU 35 26.166 10.662 -5.233 248 1HB GLU 35 HB2 GLU 35 23.892 11.123 -3.330 249 2HB GLU 35 HB1 GLU 35 25.559 11.268 -2.783 250 1HG GLU 35 HG2 GLU 35 24.945 13.447 -3.356 251 2HG GLU 35 HG1 GLU 35 25.871 12.873 -4.761 252 H GLU 36 HN GLU 36 24.897 9.531 -2.275 253 HA GLU 36 HA GLU 36 27.049 7.778 -1.945 254 1HB GLU 36 HB2 GLU 36 25.944 8.959 -0.088 255 2HB GLU 36 HB1 GLU 36 24.516 7.960 -0.313 256 1HG GLU 36 HG2 GLU 36 25.760 5.976 0.305 257 2HG GLU 36 HG1 GLU 36 27.253 6.936 0.429 258 H ILE 37 HN ILE 37 23.799 7.243 -3.042 259 HA ILE 37 HA ILE 37 24.147 4.339 -2.684 260 HB ILE 37 HB ILE 37 21.588 5.765 -3.424 261 1HG1 ILE 37 HG12 ILE 37 22.386 6.711 -1.323 262 2HG1 ILE 37 HG11 ILE 37 20.989 5.683 -1.027 263 1HG2 ILE 37 HG21 ILE 37 22.141 3.077 -2.191 264 2HG2 ILE 37 HG22 ILE 37 21.576 3.385 -3.828 265 3HG2 ILE 37 HG23 ILE 37 20.541 3.761 -2.460 266 1HD1 ILE 37 HD11 ILE 37 22.692 5.358 0.669 267 2HD1 ILE 37 HD12 ILE 37 23.886 4.958 -0.561 268 3HD1 ILE 37 HD13 ILE 37 22.509 3.897 -0.290 269 H SER 38 HN SER 38 23.636 2.898 -4.397 270 HA SER 38 HA SER 38 23.861 4.091 -7.084 271 1HB SER 38 HB2 SER 38 25.162 1.562 -6.058 272 2HB SER 38 HB1 SER 38 25.245 2.162 -7.721 273 HG SER 38 HG SER 38 26.006 4.183 -6.300 274 H ALA 39 HN ALA 39 23.128 2.529 -8.818 275 HA ALA 39 HA ALA 39 20.538 1.566 -8.243 276 1HB ALA 39 HB1 ALA 39 22.276 1.120 -10.677 277 2HB ALA 39 HB2 ALA 39 21.128 2.426 -10.459 278 3HB ALA 39 HB3 ALA 39 20.556 0.772 -10.572 279 H GLY 40 HN GLY 40 19.869 -0.357 -7.581 280 1HA GLY 40 HA2 GLY 40 20.019 -2.755 -7.585 281 2HA GLY 40 HA1 GLY 40 21.757 -2.638 -7.757 282 H ASP 41 HN ASP 41 21.570 -0.413 -5.596 283 HA ASP 41 HA ASP 41 22.289 -2.047 -3.425 284 1HB ASP 41 HB2 ASP 41 21.683 0.880 -3.685 285 2HB ASP 41 HB1 ASP 41 21.940 0.165 -2.108 286 H GLU 42 HN GLU 42 21.211 -2.680 -1.603 287 HA GLU 42 HA GLU 42 18.280 -2.464 -1.711 288 1HB GLU 42 HB2 GLU 42 20.056 -4.401 -0.218 289 2HB GLU 42 HB1 GLU 42 18.298 -4.442 -0.262 290 1HG GLU 42 HG2 GLU 42 18.242 -5.239 -2.394 291 2HG GLU 42 HG1 GLU 42 19.780 -4.505 -2.838 292 H GLY 43 HN GLY 43 17.098 -1.853 0.068 293 1HA GLY 43 HA2 GLY 43 18.469 -1.161 2.549 294 2HA GLY 43 HA1 GLY 43 17.719 0.160 1.678 295 H GLU 44 HN GLU 44 16.696 -0.034 4.025 296 HA GLU 44 HA GLU 44 14.133 -1.377 3.596 297 1HB GLU 44 HB2 GLU 44 15.461 -2.652 5.240 298 2HB GLU 44 HB1 GLU 44 15.613 -1.204 6.217 299 1HG GLU 44 HG2 GLU 44 13.160 -1.143 6.515 300 2HG GLU 44 HG1 GLU 44 13.054 -2.638 5.569 301 H PHE 45 HN PHE 45 12.299 -0.299 4.471 302 HA PHE 45 HA PHE 45 12.736 2.584 4.637 303 1HB PHE 45 HB2 PHE 45 11.101 1.913 3.036 304 2HB PHE 45 HB1 PHE 45 10.261 0.897 4.207 305 HD1 PHE 45 HD1 PHE 45 11.156 4.439 3.513 306 HD2 PHE 45 HD2 PHE 45 8.454 1.738 5.367 307 HE1 PHE 45 HE1 PHE 45 9.669 6.308 4.066 308 HE2 PHE 45 HE2 PHE 45 6.950 3.597 5.933 309 HZ PHE 45 HZ PHE 45 7.566 5.878 5.277 310 H ARG 46 HN ARG 46 12.696 3.599 6.568 311 HA ARG 46 HA ARG 46 11.718 2.103 8.871 312 1HB ARG 46 HB2 ARG 46 13.555 4.497 8.732 313 2HB ARG 46 HB1 ARG 46 13.095 3.653 10.204 314 1HG ARG 46 HG2 ARG 46 14.208 1.653 9.463 315 2HG ARG 46 HG1 ARG 46 14.526 2.373 7.887 316 1HD ARG 46 HD2 ARG 46 16.524 2.442 9.223 317 2HD ARG 46 HD1 ARG 46 15.931 4.091 8.982 318 HE ARG 46 HE ARG 46 15.207 4.095 11.267 319 1HH1 ARG 46 HH11 ARG 46 17.144 1.347 10.331 320 2HH1 ARG 46 HH12 ARG 46 17.696 1.014 11.954 321 1HH2 ARG 46 HH21 ARG 46 15.926 3.691 13.409 322 2HH2 ARG 46 HH22 ARG 46 17.022 2.358 13.706 323 H GLN 47 HN GLN 47 11.496 5.283 7.374 324 HA GLN 47 HA GLN 47 8.823 5.681 7.980 325 1HB GLN 47 HB2 GLN 47 8.769 7.248 9.781 326 2HB GLN 47 HB1 GLN 47 9.666 5.853 10.348 327 1HG GLN 47 HG2 GLN 47 11.008 8.331 9.297 328 2HG GLN 47 HG1 GLN 47 10.560 8.120 10.993 329 1HE2 GLN 47 HE21 GLN 47 12.734 7.295 8.469 330 2HE2 GLN 47 HE22 GLN 47 13.861 6.397 9.451 331 H SER 48 HN SER 48 8.189 8.084 7.723 332 HA SER 48 HA SER 48 9.975 9.742 6.227 333 1HB SER 48 HB2 SER 48 8.738 9.550 4.071 334 2HB SER 48 HB1 SER 48 9.594 8.072 4.514 335 HG SER 48 HG SER 48 6.837 8.589 4.503 336 H ASN 49 HN ASN 49 8.313 11.258 4.783 337 HA ASN 49 HA ASN 49 6.446 12.300 6.778 338 1HB ASN 49 HB2 ASN 49 6.554 14.431 5.623 339 2HB ASN 49 HB1 ASN 49 8.208 13.840 5.817 340 1HD2 ASN 49 HD21 ASN 49 9.345 13.127 4.054 341 2HD2 ASN 49 HD22 ASN 49 8.831 13.453 2.429 342 H ASN 50 HN ASN 50 4.656 13.657 5.090 343 HA ASN 50 HA ASN 50 2.889 11.572 4.576 344 1HB ASN 50 HB2 ASN 50 1.338 13.172 3.686 345 2HB ASN 50 HB1 ASN 50 2.139 13.874 5.081 346 1HD2 ASN 50 HD21 ASN 50 0.800 15.066 2.720 347 2HD2 ASN 50 HD22 ASN 50 1.955 16.190 2.077 348 H GLY 51 HN GLY 51 5.056 13.236 2.320 349 1HA GLY 51 HA2 GLY 51 5.005 11.246 0.401 350 2HA GLY 51 HA1 GLY 51 3.720 12.365 -0.021 351 H VAL 52 HN VAL 52 5.594 14.441 1.310 352 HA VAL 52 HA VAL 52 6.893 15.546 -0.896 353 HB VAL 52 HB VAL 52 7.874 15.772 1.963 354 1HG1 VAL 52 HG11 VAL 52 9.379 16.726 0.293 355 2HG1 VAL 52 HG12 VAL 52 8.643 17.985 1.281 356 3HG1 VAL 52 HG13 VAL 52 8.058 17.693 -0.347 357 1HG2 VAL 52 HG21 VAL 52 6.409 17.726 2.160 358 2HG2 VAL 52 HG22 VAL 52 5.508 16.218 1.972 359 3HG2 VAL 52 HG23 VAL 52 5.679 17.326 0.606 360 HA PRO 53 HA PRO 53 10.146 13.063 -2.413 361 1HB PRO 53 HB2 PRO 53 12.040 15.177 -1.619 362 2HB PRO 53 HB1 PRO 53 11.664 14.529 -3.229 363 1HG PRO 53 HG2 PRO 53 10.589 16.873 -1.905 364 2HG PRO 53 HG1 PRO 53 10.363 16.331 -3.582 365 1HD PRO 53 HD2 PRO 53 8.335 16.376 -1.763 366 2HD PRO 53 HD1 PRO 53 8.418 15.184 -3.075 367 HA PRO 54 HA PRO 54 13.466 12.890 1.083 368 1HB PRO 54 HB2 PRO 54 12.805 13.859 3.556 369 2HB PRO 54 HB1 PRO 54 13.688 14.778 2.328 370 1HG PRO 54 HG2 PRO 54 10.770 14.856 3.008 371 2HG PRO 54 HG1 PRO 54 11.883 16.203 2.658 372 1HD PRO 54 HD2 PRO 54 10.149 15.279 0.820 373 2HD PRO 54 HD1 PRO 54 11.765 15.867 0.371 374 H VAL 55 HN VAL 55 13.333 10.812 1.332 375 HA VAL 55 HA VAL 55 11.474 9.717 3.339 376 HB VAL 55 HB VAL 55 10.690 8.997 1.139 377 1HG1 VAL 55 HG11 VAL 55 13.417 7.774 0.778 378 2HG1 VAL 55 HG12 VAL 55 12.758 9.137 -0.127 379 3HG1 VAL 55 HG13 VAL 55 12.030 7.540 -0.287 380 1HG2 VAL 55 HG21 VAL 55 10.393 7.469 2.980 381 2HG2 VAL 55 HG22 VAL 55 11.995 6.788 2.712 382 3HG2 VAL 55 HG23 VAL 55 10.730 6.554 1.517 383 H GLN 56 HN GLN 56 12.423 8.337 4.843 384 HA GLN 56 HA GLN 56 15.350 8.305 4.687 385 1HB GLN 56 HB2 GLN 56 14.279 9.345 6.699 386 2HB GLN 56 HB1 GLN 56 13.634 7.763 7.109 387 1HG GLN 56 HG2 GLN 56 15.859 6.857 7.329 388 2HG GLN 56 HG1 GLN 56 16.556 8.414 6.808 389 1HE2 GLN 56 HE21 GLN 56 14.515 9.887 8.362 390 2HE2 GLN 56 HE22 GLN 56 15.057 9.809 10.013 391 H VAL 57 HN VAL 57 16.233 6.564 3.990 392 HA VAL 57 HA VAL 57 14.947 3.979 4.529 393 HB VAL 57 HB VAL 57 16.552 4.825 2.107 394 1HG1 VAL 57 HG11 VAL 57 16.038 2.611 1.205 395 2HG1 VAL 57 HG12 VAL 57 15.264 2.181 2.736 396 3HG1 VAL 57 HG13 VAL 57 16.998 2.512 2.670 397 1HG2 VAL 57 HG21 VAL 57 13.636 4.115 2.402 398 2HG2 VAL 57 HG22 VAL 57 14.463 4.442 0.889 399 3HG2 VAL 57 HG23 VAL 57 14.299 5.725 2.072 400 H PHE 58 HN PHE 58 16.174 2.509 5.544 401 HA PHE 58 HA PHE 58 18.912 3.187 6.184 402 1HB PHE 58 HB2 PHE 58 17.405 2.166 7.887 403 2HB PHE 58 HB1 PHE 58 17.278 0.709 6.908 404 HD1 PHE 58 HD1 PHE 58 19.496 2.760 8.990 405 HD2 PHE 58 HD2 PHE 58 19.056 -0.890 6.879 406 HE1 PHE 58 HE1 PHE 58 21.515 1.884 10.130 407 HE2 PHE 58 HE2 PHE 58 21.078 -1.787 7.995 408 HZ PHE 58 HZ PHE 58 22.278 -0.394 9.619 409 H TRP 59 HN TRP 59 20.288 2.861 4.590 410 HA TRP 59 HA TRP 59 19.886 0.702 2.680 411 1HB TRP 59 HB2 TRP 59 21.936 2.936 2.846 412 2HB TRP 59 HB1 TRP 59 21.894 1.720 1.561 413 HD1 TRP 59 HD1 TRP 59 20.398 4.988 2.610 414 HE1 TRP 59 HE1 TRP 59 18.614 5.714 0.883 415 HE3 TRP 59 HE3 TRP 59 20.006 0.645 -0.102 416 HZ2 TRP 59 HZ2 TRP 59 17.265 4.646 -1.302 417 HZ3 TRP 59 HZ3 TRP 59 18.443 0.589 -2.019 418 HH2 TRP 59 HH2 TRP 59 17.097 2.550 -2.598 419 H GLU 60 HN GLU 60 20.693 -1.228 3.047 420 HA GLU 60 HA GLU 60 22.465 -1.607 5.274 421 1HB GLU 60 HB2 GLU 60 22.140 -4.025 4.822 422 2HB GLU 60 HB1 GLU 60 20.650 -3.157 5.083 423 1HG GLU 60 HG2 GLU 60 20.019 -4.380 3.296 424 2HG GLU 60 HG1 GLU 60 20.696 -2.995 2.439 425 H SER 61 HN SER 61 22.756 -1.145 1.989 426 HA SER 61 HA SER 61 25.156 -2.485 1.469 427 1HB SER 61 HB2 SER 61 23.682 -1.570 -0.285 428 2HB SER 61 HB1 SER 61 24.102 0.052 0.232 429 HG SER 61 HG SER 61 25.295 -0.961 -1.628 430 H THR 62 HN THR 62 24.458 0.778 2.636 431 HA THR 62 HA THR 62 27.299 1.280 3.079 432 HB THR 62 HB THR 62 26.385 3.570 3.778 433 HG1 THR 62 HG1 THR 62 24.287 4.015 2.833 434 1HG2 THR 62 HG21 THR 62 27.499 3.161 1.633 435 2HG2 THR 62 HG22 THR 62 26.172 4.301 1.431 436 3HG2 THR 62 HG23 THR 62 25.978 2.618 0.945 437 H GLY 63 HN GLY 63 24.411 0.416 4.785 438 1HA GLY 63 HA2 GLY 63 24.226 -0.334 6.963 439 2HA GLY 63 HA1 GLY 63 25.898 0.126 7.237 440 H ARG 64 HN ARG 64 23.481 2.336 5.977 441 HA ARG 64 HA ARG 64 23.178 3.652 8.529 442 1HB ARG 64 HB2 ARG 64 24.085 5.831 7.643 443 2HB ARG 64 HB1 ARG 64 25.282 4.573 7.940 444 1HG ARG 64 HG2 ARG 64 25.246 4.019 5.516 445 2HG ARG 64 HG1 ARG 64 24.167 5.416 5.280 446 1HD ARG 64 HD2 ARG 64 26.506 5.994 4.815 447 2HD ARG 64 HD1 ARG 64 25.882 6.914 6.188 448 HE ARG 64 HE ARG 64 27.323 4.469 6.815 449 1HH1 ARG 64 HH11 ARG 64 27.468 7.931 6.431 450 2HH1 ARG 64 HH12 ARG 64 28.854 8.118 7.464 451 1HH2 ARG 64 HH21 ARG 64 29.153 4.701 8.162 452 2HH2 ARG 64 HH22 ARG 64 29.803 6.279 8.434 453 H THR 65 HN THR 65 21.795 5.626 8.344 454 HA THR 65 HA THR 65 19.659 5.055 6.478 455 HB THR 65 HB THR 65 18.666 7.152 7.731 456 HG1 THR 65 HG1 THR 65 20.347 7.841 8.944 457 1HG2 THR 65 HG21 THR 65 17.793 5.673 9.441 458 2HG2 THR 65 HG22 THR 65 19.072 4.500 9.104 459 3HG2 THR 65 HG23 THR 65 17.851 4.844 7.890 460 H TYR 66 HN TYR 66 18.797 6.594 5.044 461 HA TYR 66 HA TYR 66 20.296 9.026 4.494 462 1HB TYR 66 HB2 TYR 66 21.555 7.268 3.300 463 2HB TYR 66 HB1 TYR 66 20.098 6.844 2.401 464 HD1 TYR 66 HD1 TYR 66 22.390 9.710 3.078 465 HD2 TYR 66 HD2 TYR 66 19.682 7.890 0.356 466 HE1 TYR 66 HE1 TYR 66 22.969 11.381 1.369 467 HE2 TYR 66 HE2 TYR 66 20.251 9.534 -1.355 468 HH TYR 66 HH TYR 66 22.903 11.698 -1.005 469 H TRP 67 HN TRP 67 19.072 10.529 3.299 470 HA TRP 67 HA TRP 67 16.255 9.811 2.961 471 1HB TRP 67 HB2 TRP 67 17.665 12.477 3.090 472 2HB TRP 67 HB1 TRP 67 15.973 12.304 2.624 473 HD1 TRP 67 HD1 TRP 67 14.211 11.948 4.551 474 HE1 TRP 67 HE1 TRP 67 14.362 11.974 7.116 475 HE3 TRP 67 HE3 TRP 67 19.300 11.871 5.061 476 HZ2 TRP 67 HZ2 TRP 67 16.385 11.943 9.094 477 HZ3 TRP 67 HZ3 TRP 67 20.259 11.880 7.327 478 HH2 TRP 67 HH2 TRP 67 18.832 11.918 9.304 479 H VAL 68 HN VAL 68 15.622 9.222 1.070 480 HA VAL 68 HA VAL 68 17.071 10.119 -1.319 481 HB VAL 68 HB VAL 68 15.297 7.744 -1.453 482 1HG1 VAL 68 HG11 VAL 68 18.045 8.343 -2.559 483 2HG1 VAL 68 HG12 VAL 68 16.514 8.440 -3.435 484 3HG1 VAL 68 HG13 VAL 68 17.124 6.878 -2.874 485 1HG2 VAL 68 HG21 VAL 68 16.947 6.229 -0.515 486 2HG2 VAL 68 HG22 VAL 68 16.397 7.389 0.682 487 3HG2 VAL 68 HG23 VAL 68 17.967 7.604 -0.092 488 H HIS 69 HN HIS 69 15.414 9.829 -3.313 489 HA HIS 69 HA HIS 69 12.907 11.146 -2.563 490 1HB HIS 69 HB2 HIS 69 14.226 10.651 -5.245 491 2HB HIS 69 HB1 HIS 69 12.650 11.416 -5.074 492 HD1 HIS 69 HD1 HIS 69 12.687 13.901 -4.929 493 HD2 HIS 69 HD2 HIS 69 16.363 12.223 -3.919 494 HE1 HIS 69 HE1 HIS 69 14.274 15.835 -4.676 495 HE2 HIS 69 HE2 HIS 69 16.514 14.799 -4.176 496 H TRP 70 HN TRP 70 10.983 10.130 -2.635 497 HA TRP 70 HA TRP 70 10.611 7.461 -2.533 498 1HB TRP 70 HB2 TRP 70 8.697 9.478 -3.707 499 2HB TRP 70 HB1 TRP 70 8.251 7.847 -3.256 500 HD1 TRP 70 HD1 TRP 70 9.305 11.195 -1.667 501 HE1 TRP 70 HE1 TRP 70 8.434 11.224 0.748 502 HE3 TRP 70 HE3 TRP 70 7.615 6.384 -1.346 503 HZ2 TRP 70 HZ2 TRP 70 7.243 9.446 2.559 504 HZ3 TRP 70 HZ3 TRP 70 6.640 5.612 0.779 505 HH2 TRP 70 HH2 TRP 70 6.453 7.120 2.693 506 H HIS 71 HN HIS 71 10.377 9.338 -5.510 507 HA HIS 71 HA HIS 71 9.290 7.192 -7.007 508 1HB HIS 71 HB2 HIS 71 9.475 8.649 -8.947 509 2HB HIS 71 HB1 HIS 71 8.847 9.552 -7.562 510 HD1 HIS 71 HD1 HIS 71 9.891 11.774 -7.227 511 HD2 HIS 71 HD2 HIS 71 12.440 9.189 -9.254 512 HE1 HIS 71 HE1 HIS 71 11.923 13.132 -7.808 513 HE2 HIS 71 HE2 HIS 71 13.333 11.605 -9.226 514 H MET 72 HN MET 72 12.440 7.314 -5.990 515 HA MET 72 HA MET 72 13.395 6.239 -8.558 516 1HB MET 72 HB2 MET 72 15.618 6.988 -8.013 517 2HB MET 72 HB1 MET 72 14.485 8.322 -7.852 518 1HG MET 72 HG2 MET 72 14.441 7.790 -5.384 519 2HG MET 72 HG1 MET 72 15.850 6.779 -5.683 520 1HE MET 72 HE1 MET 72 18.240 9.563 -7.276 521 2HE MET 72 HE2 MET 72 17.035 8.603 -8.148 522 3HE MET 72 HE3 MET 72 18.066 7.836 -6.941 523 H LEU 73 HN LEU 73 12.286 4.940 -5.849 524 HA LEU 73 HA LEU 73 14.097 2.685 -6.201 525 1HB LEU 73 HB2 LEU 73 13.746 2.023 -3.814 526 2HB LEU 73 HB1 LEU 73 14.829 3.361 -4.102 527 HG LEU 73 HG LEU 73 13.430 3.613 -2.067 528 1HD1 LEU 73 HD11 LEU 73 14.347 5.581 -3.183 529 2HD1 LEU 73 HD12 LEU 73 12.768 5.920 -2.442 530 3HD1 LEU 73 HD13 LEU 73 12.899 5.683 -4.187 531 1HD2 LEU 73 HD21 LEU 73 11.391 2.539 -2.842 532 2HD2 LEU 73 HD22 LEU 73 11.133 3.845 -3.991 533 3HD2 LEU 73 HD23 LEU 73 11.074 4.177 -2.265 534 H GLU 74 HN GLU 74 13.240 0.604 -5.651 535 HA GLU 74 HA GLU 74 10.369 0.451 -6.247 536 1HB GLU 74 HB2 GLU 74 11.853 -0.454 -7.969 537 2HB GLU 74 HB1 GLU 74 12.601 -1.531 -6.786 538 1HG GLU 74 HG2 GLU 74 10.444 -2.659 -6.508 539 2HG GLU 74 HG1 GLU 74 9.738 -1.583 -7.726 540 H ILE 75 HN ILE 75 9.178 -1.300 -5.273 541 HA ILE 75 HA ILE 75 9.934 -1.665 -2.498 542 HB ILE 75 HB ILE 75 7.457 -2.693 -3.890 543 1HG1 ILE 75 HG12 ILE 75 7.635 -0.271 -4.203 544 2HG1 ILE 75 HG11 ILE 75 6.329 -0.680 -3.093 545 1HG2 ILE 75 HG21 ILE 75 8.029 -2.117 -0.992 546 2HG2 ILE 75 HG22 ILE 75 7.917 -3.715 -1.717 547 3HG2 ILE 75 HG23 ILE 75 6.494 -2.689 -1.654 548 1HD1 ILE 75 HD11 ILE 75 9.073 0.234 -2.263 549 2HD1 ILE 75 HD12 ILE 75 7.684 -0.054 -1.209 550 3HD1 ILE 75 HD13 ILE 75 7.633 1.262 -2.376 551 H LEU 76 HN LEU 76 11.056 -3.361 -1.829 552 HA LEU 76 HA LEU 76 10.927 -5.875 -3.321 553 1HB LEU 76 HB2 LEU 76 12.742 -5.021 -1.077 554 2HB LEU 76 HB1 LEU 76 12.774 -6.594 -1.833 555 HG LEU 76 HG LEU 76 13.429 -3.964 -3.159 556 1HD1 LEU 76 HD11 LEU 76 15.692 -4.862 -3.291 557 2HD1 LEU 76 HD12 LEU 76 15.168 -6.298 -2.408 558 3HD1 LEU 76 HD13 LEU 76 15.165 -4.725 -1.612 559 1HD2 LEU 76 HD21 LEU 76 12.362 -5.513 -4.721 560 2HD2 LEU 76 HD22 LEU 76 13.527 -6.763 -4.271 561 3HD2 LEU 76 HD23 LEU 76 14.078 -5.301 -5.081 562 H GLY 77 HN GLY 77 9.693 -4.318 -0.614 563 1HA GLY 77 HA2 GLY 77 8.197 -4.957 0.995 564 2HA GLY 77 HA1 GLY 77 7.927 -6.403 0.041 565 H PHE 78 HN PHE 78 7.822 -7.814 1.728 566 HA PHE 78 HA PHE 78 10.344 -8.213 3.155 567 1HB PHE 78 HB2 PHE 78 8.973 -9.572 4.780 568 2HB PHE 78 HB1 PHE 78 8.648 -7.841 4.776 569 HD1 PHE 78 HD1 PHE 78 6.562 -6.981 3.753 570 HD2 PHE 78 HD2 PHE 78 7.291 -11.152 4.213 571 HE1 PHE 78 HE1 PHE 78 4.157 -7.423 3.484 572 HE2 PHE 78 HE2 PHE 78 4.919 -11.598 3.937 573 HZ PHE 78 HZ PHE 78 3.331 -9.731 3.574 574 H GLU 79 HN GLU 79 9.229 -9.085 0.455 575 HA GLU 79 HA GLU 79 9.265 -11.941 0.507 576 1HB GLU 79 HB2 GLU 79 9.771 -9.981 -1.766 577 2HB GLU 79 HB1 GLU 79 9.701 -11.728 -1.965 578 1HG GLU 79 HG2 GLU 79 7.608 -10.825 -2.605 579 2HG GLU 79 HG1 GLU 79 7.384 -11.677 -1.090 580 H GLU 80 HN GLU 80 11.655 -9.456 0.338 581 HA GLU 80 HA GLU 80 13.836 -11.328 -0.129 582 1HB GLU 80 HB2 GLU 80 13.807 -8.344 0.381 583 2HB GLU 80 HB1 GLU 80 15.265 -9.278 0.037 584 1HG GLU 80 HG2 GLU 80 12.906 -8.958 -1.819 585 2HG GLU 80 HG1 GLU 80 14.410 -8.047 -1.907
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