NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
280990 | 2kt1 | 16681 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -1.329 4.727 21.437 2 H2 MET 1 2H MET 1 0.137 5.404 21.947 3 H3 MET 1 3H MET 1 -1.268 6.339 21.961 4 HA MET 1 HA MET 1 -0.711 5.659 24.182 5 HB2 MET 1 2HB MET 1 -3.128 4.178 23.112 6 HB3 MET 1 1HB MET 1 -2.846 4.595 24.796 7 HG2 MET 1 2HG MET 1 -4.414 6.136 23.817 8 HG3 MET 1 1HG MET 1 -2.913 6.977 24.202 9 HE1 MET 1 3HE MET 1 -5.233 5.571 21.385 10 HE2 MET 1 1HE MET 1 -3.779 4.603 21.135 11 HE3 MET 1 2HE MET 1 -4.252 5.807 19.936 12 H ALA 2 H ALA 2 -1.861 2.660 22.581 13 HA ALA 2 HA ALA 2 -0.270 1.043 24.385 14 HB1 ALA 2 3HB ALA 2 -2.526 0.335 23.760 15 HB2 ALA 2 1HB ALA 2 -1.328 -0.863 23.267 16 HB3 ALA 2 2HB ALA 2 -2.034 0.224 22.070 17 H GLY 3 H GLY 3 -0.295 1.762 20.907 18 HA2 GLY 3 2HA GLY 3 2.379 1.870 20.440 19 HA3 GLY 3 1HA GLY 3 2.036 0.149 20.367 20 HA PRO 4 HA PRO 4 1.057 2.039 16.184 21 HB2 PRO 4 2HB PRO 4 3.444 0.884 15.039 22 HB3 PRO 4 1HB PRO 4 3.028 2.589 15.201 23 HG2 PRO 4 2HG PRO 4 5.071 1.357 16.575 24 HG3 PRO 4 1HG PRO 4 4.249 2.832 17.115 25 HD2 PRO 4 2HD PRO 4 3.828 -0.005 17.994 26 HD3 PRO 4 1HD PRO 4 3.849 1.487 18.962 27 H GLU 5 H GLU 5 -0.579 0.646 15.681 28 HA GLU 5 HA GLU 5 -0.272 -2.203 15.595 29 HB2 GLU 5 2HB GLU 5 -2.537 -0.513 14.513 30 HB3 GLU 5 1HB GLU 5 -2.594 -2.238 14.855 31 HG2 GLU 5 2HG GLU 5 -2.225 -0.038 16.887 32 HG3 GLU 5 1HG GLU 5 -3.710 -0.939 16.593 33 H GLY 6 H GLY 6 0.127 0.325 13.260 34 HA2 GLY 6 2HA GLY 6 1.273 -1.400 11.330 35 HA3 GLY 6 1HA GLY 6 -0.381 -1.034 10.862 36 H PHE 7 H PHE 7 0.373 0.036 8.986 37 HA PHE 7 HA PHE 7 1.139 2.822 9.482 38 HB2 PHE 7 2HB PHE 7 2.562 0.972 7.549 39 HB3 PHE 7 1HB PHE 7 2.702 2.724 7.493 40 HD1 PHE 7 HD1 PHE 7 3.806 3.941 9.348 41 HD2 PHE 7 HD2 PHE 7 3.759 -0.316 9.179 42 HE1 PHE 7 HE1 PHE 7 5.644 3.857 10.982 43 HE2 PHE 7 HE2 PHE 7 5.596 -0.403 10.814 44 HZ PHE 7 HZ PHE 7 6.541 1.684 11.717 45 H GLN 8 H GLN 8 0.622 4.254 7.685 46 HA GLN 8 HA GLN 8 -1.467 3.158 5.902 47 HB2 GLN 8 2HB GLN 8 -1.312 5.811 7.322 48 HB3 GLN 8 1HB GLN 8 -2.355 5.567 5.927 49 HG2 GLN 8 2HG GLN 8 -3.517 3.766 7.123 50 HG3 GLN 8 1HG GLN 8 -2.485 4.044 8.526 51 HE21 GLN 8 1HE2 GLN 8 -5.405 4.261 8.202 52 HE22 GLN 8 2HE2 GLN 8 -5.808 5.866 8.692 53 H TYR 9 H TYR 9 -1.246 3.418 3.798 54 HA TYR 9 HA TYR 9 0.698 5.386 2.765 55 HB2 TYR 9 2HB TYR 9 -0.346 2.874 1.416 56 HB3 TYR 9 1HB TYR 9 0.849 3.984 0.751 57 HD1 TYR 9 HD2 TYR 9 3.092 4.191 1.901 58 HD2 TYR 9 HD1 TYR 9 0.301 1.135 2.909 59 HE1 TYR 9 HE2 TYR 9 4.893 2.906 2.975 60 HE2 TYR 9 HE1 TYR 9 2.095 -0.155 3.988 61 HH TYR 9 HH TYR 9 4.609 -0.323 3.789 62 H ARG 10 H ARG 10 0.003 6.152 0.445 63 HA ARG 10 HA ARG 10 -2.900 6.440 0.201 64 HB2 ARG 10 2HB ARG 10 -2.102 8.226 1.747 65 HB3 ARG 10 1HB ARG 10 -1.079 8.839 0.459 66 HG2 ARG 10 2HG ARG 10 -3.057 9.339 -0.887 67 HG3 ARG 10 1HG ARG 10 -4.092 8.696 0.393 68 HD2 ARG 10 2HD ARG 10 -3.188 10.392 1.939 69 HD3 ARG 10 1HD ARG 10 -2.225 11.056 0.621 70 HE ARG 10 HE ARG 10 -5.174 11.011 0.559 71 HH11 ARG 10 1HH1 ARG 10 -2.160 12.597 0.050 72 HH12 ARG 10 2HH1 ARG 10 -2.898 14.101 -0.390 73 HH21 ARG 10 1HH2 ARG 10 -6.120 12.939 -0.004 74 HH22 ARG 10 2HH2 ARG 10 -5.125 14.285 -0.441 75 H ALA 11 H ALA 11 -3.438 6.228 -1.886 76 HA ALA 11 HA ALA 11 -1.441 6.033 -3.913 77 HB1 ALA 11 3HB ALA 11 -4.446 6.097 -4.195 78 HB2 ALA 11 1HB ALA 11 -3.460 4.659 -3.932 79 HB3 ALA 11 2HB ALA 11 -3.296 5.578 -5.428 80 H LEU 12 H LEU 12 -0.620 7.554 -5.197 81 HA LEU 12 HA LEU 12 -1.731 10.256 -5.107 82 HB2 LEU 12 2HB LEU 12 0.883 9.250 -6.242 83 HB3 LEU 12 1HB LEU 12 0.406 10.934 -6.126 84 HG LEU 12 HG LEU 12 0.910 9.073 -3.795 85 HD11 LEU 12 1HD1 LEU 12 2.964 9.719 -4.927 86 HD12 LEU 12 2HD1 LEU 12 2.841 10.515 -3.359 87 HD13 LEU 12 3HD1 LEU 12 2.500 11.419 -4.836 88 HD21 LEU 12 3HD2 LEU 12 0.613 11.046 -2.392 89 HD22 LEU 12 1HD2 LEU 12 -0.856 10.696 -3.303 90 HD23 LEU 12 2HD2 LEU 12 0.206 12.010 -3.813 91 H TYR 13 H TYR 13 -1.272 7.638 -7.387 92 HA TYR 13 HA TYR 13 -2.423 9.325 -9.524 93 HB2 TYR 13 2HB TYR 13 -0.296 7.196 -9.893 94 HB3 TYR 13 1HB TYR 13 -1.014 8.175 -11.167 95 HD1 TYR 13 HD1 TYR 13 -0.610 10.678 -11.147 96 HD2 TYR 13 HD2 TYR 13 1.559 7.983 -8.658 97 HE1 TYR 13 HE1 TYR 13 1.134 12.381 -10.823 98 HE2 TYR 13 HE2 TYR 13 3.304 9.680 -8.333 99 HH TYR 13 HH TYR 13 2.898 12.931 -9.182 100 HA PRO 14 HA PRO 14 -5.392 6.022 -9.808 101 HB2 PRO 14 2HB PRO 14 -6.619 6.698 -12.119 102 HB3 PRO 14 1HB PRO 14 -6.824 7.623 -10.627 103 HG2 PRO 14 2HG PRO 14 -5.093 8.209 -13.000 104 HG3 PRO 14 1HG PRO 14 -6.064 9.322 -12.021 105 HD2 PRO 14 2HD PRO 14 -3.341 8.983 -11.745 106 HD3 PRO 14 1HD PRO 14 -4.408 9.566 -10.451 107 H PHE 15 H PHE 15 -4.809 3.995 -10.249 108 HA PHE 15 HA PHE 15 -4.184 3.266 -13.026 109 HB2 PHE 15 2HB PHE 15 -2.586 2.515 -10.579 110 HB3 PHE 15 1HB PHE 15 -2.568 1.510 -12.023 111 HD1 PHE 15 HD1 PHE 15 -1.606 4.769 -10.616 112 HD2 PHE 15 HD2 PHE 15 -1.446 2.215 -14.023 113 HE1 PHE 15 HE1 PHE 15 0.128 6.204 -11.610 114 HE2 PHE 15 HE2 PHE 15 0.289 3.645 -15.019 115 HZ PHE 15 HZ PHE 15 1.078 5.644 -13.813 116 H ARG 16 H ARG 16 -5.422 1.663 -13.743 117 HA ARG 16 HA ARG 16 -7.398 0.477 -12.036 118 HB2 ARG 16 2HB ARG 16 -7.803 1.108 -14.417 119 HB3 ARG 16 1HB ARG 16 -6.711 -0.177 -14.910 120 HG2 ARG 16 2HG ARG 16 -8.288 -1.754 -13.644 121 HG3 ARG 16 1HG ARG 16 -9.428 -0.404 -13.655 122 HD2 ARG 16 2HD ARG 16 -9.894 -1.822 -15.544 123 HD3 ARG 16 1HD ARG 16 -9.206 -0.307 -16.134 124 HE ARG 16 HE ARG 16 -7.450 -2.627 -15.752 125 HH11 ARG 16 1HH1 ARG 16 -8.989 -0.420 -17.904 126 HH12 ARG 16 2HH1 ARG 16 -7.994 -0.871 -19.243 127 HH21 ARG 16 1HH2 ARG 16 -6.213 -3.220 -17.478 128 HH22 ARG 16 2HH2 ARG 16 -6.427 -2.431 -19.006 129 H ARG 17 H ARG 17 -7.632 -1.695 -11.458 130 HA ARG 17 HA ARG 17 -5.376 -3.217 -10.866 131 HB2 ARG 17 2HB ARG 17 -8.282 -3.965 -11.161 132 HB3 ARG 17 1HB ARG 17 -7.066 -5.146 -10.686 133 HG2 ARG 17 2HG ARG 17 -6.634 -4.076 -8.663 134 HG3 ARG 17 1HG ARG 17 -7.359 -2.562 -9.201 135 HD2 ARG 17 2HD ARG 17 -8.902 -5.117 -8.764 136 HD3 ARG 17 1HD ARG 17 -8.741 -3.837 -7.560 137 HE ARG 17 HE ARG 17 -9.682 -2.481 -9.661 138 HH11 ARG 17 1HH1 ARG 17 -10.740 -5.429 -8.224 139 HH12 ARG 17 2HH1 ARG 17 -12.387 -5.184 -8.687 140 HH21 ARG 17 1HH2 ARG 17 -11.768 -2.172 -10.248 141 HH22 ARG 17 2HH2 ARG 17 -12.970 -3.342 -9.818 142 H GLU 18 H GLU 18 -3.966 -4.108 -12.211 143 HA GLU 18 HA GLU 18 -4.462 -4.763 -14.928 144 HB2 GLU 18 2HB GLU 18 -2.305 -5.874 -13.113 145 HB3 GLU 18 1HB GLU 18 -2.287 -5.879 -14.872 146 HG2 GLU 18 2HG GLU 18 -2.193 -3.430 -14.875 147 HG3 GLU 18 1HG GLU 18 -2.203 -3.431 -13.110 148 H ARG 19 H ARG 19 -4.417 -6.680 -11.973 149 HA ARG 19 HA ARG 19 -5.651 -8.952 -13.409 150 HB2 ARG 19 2HB ARG 19 -3.840 -9.204 -10.997 151 HB3 ARG 19 1HB ARG 19 -4.406 -10.490 -12.048 152 HG2 ARG 19 2HG ARG 19 -2.487 -8.308 -12.860 153 HG3 ARG 19 1HG ARG 19 -2.029 -9.939 -12.376 154 HD2 ARG 19 2HD ARG 19 -3.312 -10.845 -14.274 155 HD3 ARG 19 1HD ARG 19 -3.723 -9.199 -14.765 156 HE ARG 19 HE ARG 19 -0.922 -9.453 -14.547 157 HH11 ARG 19 1HH1 ARG 19 -3.534 -10.397 -16.603 158 HH12 ARG 19 2HH1 ARG 19 -2.509 -10.583 -17.986 159 HH21 ARG 19 1HH2 ARG 19 0.358 -9.658 -16.329 160 HH22 ARG 19 2HH2 ARG 19 -0.337 -10.148 -17.837 161 HA PRO 20 HA PRO 20 -9.010 -8.822 -10.390 162 HB2 PRO 20 2HB PRO 20 -8.496 -11.761 -10.119 163 HB3 PRO 20 1HB PRO 20 -10.022 -10.905 -10.385 164 HG2 PRO 20 2HG PRO 20 -8.837 -12.159 -12.401 165 HG3 PRO 20 1HG PRO 20 -9.583 -10.568 -12.655 166 HD2 PRO 20 2HD PRO 20 -6.687 -11.285 -12.386 167 HD3 PRO 20 1HD PRO 20 -7.456 -10.077 -13.437 168 H GLU 21 H GLU 21 -6.019 -10.554 -9.586 169 HA GLU 21 HA GLU 21 -6.502 -10.229 -6.717 170 HB2 GLU 21 2HB GLU 21 -4.272 -11.435 -6.505 171 HB3 GLU 21 1HB GLU 21 -5.602 -12.350 -7.188 172 HG2 GLU 21 2HG GLU 21 -3.661 -10.966 -9.002 173 HG3 GLU 21 1HG GLU 21 -3.235 -12.502 -8.252 174 H ASP 22 H ASP 22 -5.500 -8.174 -8.969 175 HA ASP 22 HA ASP 22 -3.283 -6.952 -7.498 176 HB2 ASP 22 2HB ASP 22 -3.227 -7.095 -9.980 177 HB3 ASP 22 1HB ASP 22 -4.692 -6.127 -10.062 178 H LEU 23 H LEU 23 -3.459 -4.771 -6.605 179 HA LEU 23 HA LEU 23 -6.248 -4.087 -5.896 180 HB2 LEU 23 2HB LEU 23 -4.740 -4.657 -4.021 181 HB3 LEU 23 1HB LEU 23 -3.709 -3.311 -4.458 182 HG LEU 23 HG LEU 23 -5.541 -1.735 -3.954 183 HD11 LEU 23 1HD1 LEU 23 -7.064 -4.203 -3.097 184 HD12 LEU 23 2HD1 LEU 23 -7.448 -3.159 -4.467 185 HD13 LEU 23 3HD1 LEU 23 -7.572 -2.535 -2.823 186 HD21 LEU 23 3HD2 LEU 23 -5.552 -2.037 -1.508 187 HD22 LEU 23 1HD2 LEU 23 -3.946 -2.264 -2.199 188 HD23 LEU 23 2HD2 LEU 23 -4.903 -3.663 -1.718 189 H GLU 24 H GLU 24 -7.090 -2.090 -6.251 190 HA GLU 24 HA GLU 24 -5.792 -0.607 -8.374 191 HB2 GLU 24 2HB GLU 24 -8.230 -1.401 -8.303 192 HB3 GLU 24 1HB GLU 24 -8.520 -0.057 -7.209 193 HG2 GLU 24 2HG GLU 24 -8.104 1.535 -8.861 194 HG3 GLU 24 1HG GLU 24 -7.252 0.380 -9.889 195 H LEU 25 H LEU 25 -5.349 1.596 -8.407 196 HA LEU 25 HA LEU 25 -5.201 2.904 -5.753 197 HB2 LEU 25 2HB LEU 25 -3.261 3.139 -8.064 198 HB3 LEU 25 1HB LEU 25 -3.143 4.014 -6.548 199 HG LEU 25 HG LEU 25 -2.919 1.012 -6.871 200 HD11 LEU 25 1HD1 LEU 25 -0.983 2.190 -7.756 201 HD12 LEU 25 2HD1 LEU 25 -0.574 1.342 -6.266 202 HD13 LEU 25 3HD1 LEU 25 -0.820 3.090 -6.247 203 HD21 LEU 25 3HD2 LEU 25 -2.587 2.735 -4.412 204 HD22 LEU 25 1HD2 LEU 25 -2.299 0.996 -4.509 205 HD23 LEU 25 2HD2 LEU 25 -3.928 1.633 -4.731 206 H LEU 26 H LEU 26 -6.219 4.813 -5.558 207 HA LEU 26 HA LEU 26 -6.749 6.421 -7.980 208 HB2 LEU 26 2HB LEU 26 -8.555 5.788 -5.662 209 HB3 LEU 26 1HB LEU 26 -8.765 7.285 -6.543 210 HG LEU 26 HG LEU 26 -10.333 5.660 -7.371 211 HD11 LEU 26 1HD1 LEU 26 -9.809 5.670 -9.733 212 HD12 LEU 26 2HD1 LEU 26 -8.113 6.007 -9.386 213 HD13 LEU 26 3HD1 LEU 26 -9.348 7.207 -9.001 214 HD21 LEU 26 3HD2 LEU 26 -9.698 3.551 -8.354 215 HD22 LEU 26 1HD2 LEU 26 -9.103 3.631 -6.697 216 HD23 LEU 26 2HD2 LEU 26 -7.991 3.878 -8.047 217 HA PRO 27 HA PRO 27 -4.395 9.621 -6.098 218 HB2 PRO 27 2HB PRO 27 -5.622 11.865 -7.096 219 HB3 PRO 27 1HB PRO 27 -4.541 10.828 -8.038 220 HG2 PRO 27 2HG PRO 27 -7.539 10.854 -7.949 221 HG3 PRO 27 1HG PRO 27 -6.463 10.735 -9.356 222 HD2 PRO 27 2HD PRO 27 -7.671 8.570 -8.324 223 HD3 PRO 27 1HD PRO 27 -6.026 8.486 -8.987 224 H GLY 28 H GLY 28 -4.458 10.093 -3.991 225 HA2 GLY 28 2HA GLY 28 -5.090 11.529 -2.217 226 HA3 GLY 28 1HA GLY 28 -6.680 11.701 -2.943 227 H ASP 29 H ASP 29 -6.411 8.533 -3.190 228 HA ASP 29 HA ASP 29 -8.044 8.146 -0.835 229 HB2 ASP 29 2HB ASP 29 -8.556 7.188 -3.130 230 HB3 ASP 29 1HB ASP 29 -7.253 6.033 -2.850 231 H VAL 30 H VAL 30 -7.657 6.721 0.875 232 HA VAL 30 HA VAL 30 -4.806 6.327 1.450 233 HB VAL 30 HB VAL 30 -7.200 6.279 3.305 234 HG11 VAL 30 1HG1 VAL 30 -5.424 4.839 4.157 235 HG12 VAL 30 2HG1 VAL 30 -5.558 6.298 5.138 236 HG13 VAL 30 3HG1 VAL 30 -4.250 6.140 3.963 237 HG21 VAL 30 3HG2 VAL 30 -5.054 8.371 2.909 238 HG22 VAL 30 1HG2 VAL 30 -6.327 8.422 4.131 239 HG23 VAL 30 2HG2 VAL 30 -6.743 8.503 2.419 240 H LEU 31 H LEU 31 -3.902 4.384 1.964 241 HA LEU 31 HA LEU 31 -5.628 1.989 1.898 242 HB2 LEU 31 2HB LEU 31 -2.761 2.253 0.957 243 HB3 LEU 31 1HB LEU 31 -3.649 0.743 1.054 244 HG LEU 31 HG LEU 31 -5.334 1.861 -0.562 245 HD11 LEU 31 1HD1 LEU 31 -2.945 3.651 -0.997 246 HD12 LEU 31 2HD1 LEU 31 -4.535 4.141 -0.417 247 HD13 LEU 31 3HD1 LEU 31 -4.346 3.542 -2.063 248 HD21 LEU 31 3HD2 LEU 31 -3.875 -0.001 -1.157 249 HD22 LEU 31 1HD2 LEU 31 -2.570 1.128 -1.525 250 HD23 LEU 31 2HD2 LEU 31 -4.045 1.135 -2.496 251 H VAL 32 H VAL 32 -5.655 0.812 3.711 252 HA VAL 32 HA VAL 32 -3.807 1.513 5.877 253 HB VAL 32 HB VAL 32 -6.343 -0.144 5.941 254 HG11 VAL 32 1HG1 VAL 32 -4.814 -0.741 7.756 255 HG12 VAL 32 2HG1 VAL 32 -6.231 0.106 8.376 256 HG13 VAL 32 3HG1 VAL 32 -4.692 0.957 8.224 257 HG21 VAL 32 3HG2 VAL 32 -7.375 1.828 6.980 258 HG22 VAL 32 1HG2 VAL 32 -6.789 2.185 5.355 259 HG23 VAL 32 2HG2 VAL 32 -5.875 2.729 6.761 260 H VAL 33 H VAL 33 -2.130 0.233 6.415 261 HA VAL 33 HA VAL 33 -2.256 -2.660 5.798 262 HB VAL 33 HB VAL 33 0.201 -0.890 5.614 263 HG11 VAL 33 1HG1 VAL 33 -0.131 -3.834 5.009 264 HG12 VAL 33 2HG1 VAL 33 0.744 -3.147 6.377 265 HG13 VAL 33 3HG1 VAL 33 1.330 -2.883 4.735 266 HG21 VAL 33 3HG2 VAL 33 -1.322 -0.500 3.747 267 HG22 VAL 33 1HG2 VAL 33 -1.403 -2.233 3.429 268 HG23 VAL 33 2HG2 VAL 33 0.114 -1.364 3.197 269 H SER 34 H SER 34 -1.527 -4.056 7.385 270 HA SER 34 HA SER 34 -1.080 -2.885 10.035 271 HB2 SER 34 2HB SER 34 -2.789 -4.619 9.894 272 HB3 SER 34 1HB SER 34 -1.621 -5.749 9.198 273 HG SER 34 HG SER 34 -2.078 -5.114 11.801 274 H ARG 35 H ARG 35 0.577 -3.716 11.470 275 HA ARG 35 HA ARG 35 3.168 -3.745 10.431 276 HB2 ARG 35 2HB ARG 35 2.048 -4.739 13.054 277 HB3 ARG 35 1HB ARG 35 3.768 -4.810 12.701 278 HG2 ARG 35 2HG ARG 35 2.207 -2.245 12.550 279 HG3 ARG 35 1HG ARG 35 2.937 -2.824 14.047 280 HD2 ARG 35 2HD ARG 35 4.439 -2.308 11.472 281 HD3 ARG 35 1HD ARG 35 4.355 -1.191 12.835 282 HE ARG 35 HE ARG 35 5.278 -3.737 13.677 283 HH11 ARG 35 1HH1 ARG 35 6.339 -0.885 12.043 284 HH12 ARG 35 2HH1 ARG 35 7.991 -1.107 12.502 285 HH21 ARG 35 1HH2 ARG 35 7.397 -4.021 14.220 286 HH22 ARG 35 2HH2 ARG 35 8.580 -2.863 13.705 287 H ALA 36 H ALA 36 1.049 -6.473 11.227 288 HA ALA 36 HA ALA 36 2.829 -8.586 11.001 289 HB1 ALA 36 3HB ALA 36 -0.076 -8.573 10.167 290 HB2 ALA 36 1HB ALA 36 0.522 -8.810 11.812 291 HB3 ALA 36 2HB ALA 36 0.892 -9.997 10.559 292 H ALA 37 H ALA 37 0.950 -7.036 8.403 293 HA ALA 37 HA ALA 37 1.710 -8.743 6.305 294 HB1 ALA 37 3HB ALA 37 0.933 -6.973 4.812 295 HB2 ALA 37 1HB ALA 37 0.938 -5.823 6.151 296 HB3 ALA 37 2HB ALA 37 -0.180 -7.187 6.162 297 H LEU 38 H LEU 38 3.091 -5.590 7.273 298 HA LEU 38 HA LEU 38 5.111 -5.527 5.307 299 HB2 LEU 38 2HB LEU 38 5.008 -4.182 8.012 300 HB3 LEU 38 1HB LEU 38 6.174 -3.805 6.756 301 HG LEU 38 HG LEU 38 3.178 -3.416 6.560 302 HD11 LEU 38 1HD1 LEU 38 5.407 -1.392 6.784 303 HD12 LEU 38 2HD1 LEU 38 4.255 -1.813 8.052 304 HD13 LEU 38 3HD1 LEU 38 3.692 -1.036 6.573 305 HD21 LEU 38 3HD2 LEU 38 5.377 -2.802 4.582 306 HD22 LEU 38 1HD2 LEU 38 3.705 -2.253 4.439 307 HD23 LEU 38 2HD2 LEU 38 4.074 -3.977 4.390 308 H GLN 39 H GLN 39 5.158 -6.763 8.646 309 HA GLN 39 HA GLN 39 7.917 -7.418 8.681 310 HB2 GLN 39 2HB GLN 39 5.615 -8.584 10.260 311 HB3 GLN 39 1HB GLN 39 7.311 -8.900 10.598 312 HG2 GLN 39 2HG GLN 39 5.942 -6.215 10.725 313 HG3 GLN 39 1HG GLN 39 6.411 -7.212 12.099 314 HE21 GLN 39 1HE2 GLN 39 7.221 -4.484 11.433 315 HE22 GLN 39 2HE2 GLN 39 8.943 -4.512 11.325 316 H ALA 40 H ALA 40 5.052 -9.221 7.644 317 HA ALA 40 HA ALA 40 6.282 -11.707 7.148 318 HB1 ALA 40 3HB ALA 40 3.851 -11.402 7.183 319 HB2 ALA 40 1HB ALA 40 4.381 -12.167 5.686 320 HB3 ALA 40 2HB ALA 40 3.943 -10.457 5.696 321 H LEU 41 H LEU 41 6.135 -8.755 5.242 322 HA LEU 41 HA LEU 41 7.276 -9.859 2.860 323 HB2 LEU 41 2HB LEU 41 7.169 -6.990 3.807 324 HB3 LEU 41 1HB LEU 41 7.579 -7.509 2.183 325 HG LEU 41 HG LEU 41 4.891 -7.928 3.509 326 HD11 LEU 41 1HD1 LEU 41 5.272 -5.576 3.060 327 HD12 LEU 41 2HD1 LEU 41 4.087 -6.226 1.929 328 HD13 LEU 41 3HD1 LEU 41 5.746 -5.945 1.401 329 HD21 LEU 41 3HD2 LEU 41 5.406 -9.668 1.881 330 HD22 LEU 41 1HD2 LEU 41 5.799 -8.445 0.673 331 HD23 LEU 41 2HD2 LEU 41 4.146 -8.598 1.271 332 H GLY 42 H GLY 42 8.588 -8.778 5.866 333 HA2 GLY 42 2HA GLY 42 10.779 -9.042 6.627 334 HA3 GLY 42 1HA GLY 42 11.290 -9.405 4.987 335 H VAL 43 H VAL 43 9.576 -6.545 6.235 336 HA VAL 43 HA VAL 43 11.482 -4.803 4.903 337 HB VAL 43 HB VAL 43 9.054 -4.080 6.568 338 HG11 VAL 43 1HG1 VAL 43 10.690 -2.404 4.653 339 HG12 VAL 43 2HG1 VAL 43 10.653 -2.241 6.408 340 HG13 VAL 43 3HG1 VAL 43 9.208 -1.890 5.460 341 HG21 VAL 43 3HG2 VAL 43 7.925 -3.732 4.399 342 HG22 VAL 43 1HG2 VAL 43 8.411 -5.411 4.636 343 HG23 VAL 43 2HG2 VAL 43 9.348 -4.364 3.570 344 H ALA 44 H ALA 44 13.090 -3.654 5.862 345 HA ALA 44 HA ALA 44 13.798 -4.073 8.593 346 HB1 ALA 44 3HB ALA 44 14.841 -2.029 6.625 347 HB2 ALA 44 1HB ALA 44 15.478 -3.657 6.865 348 HB3 ALA 44 2HB ALA 44 15.595 -2.465 8.160 349 H GLU 45 H GLU 45 13.638 -2.702 10.363 350 HA GLU 45 HA GLU 45 11.347 -1.083 10.544 351 HB2 GLU 45 2HB GLU 45 12.610 -2.283 12.419 352 HB3 GLU 45 1HB GLU 45 13.719 -0.919 12.410 353 HG2 GLU 45 2HG GLU 45 12.097 -0.625 14.160 354 HG3 GLU 45 1HG GLU 45 11.831 0.589 12.910 355 H GLY 46 H GLY 46 11.068 0.812 9.518 356 HA2 GLY 46 2HA GLY 46 11.599 3.163 9.319 357 HA3 GLY 46 1HA GLY 46 13.302 2.758 9.469 358 H GLY 47 H GLY 47 11.755 0.543 7.474 359 HA2 GLY 47 2HA GLY 47 12.767 1.889 5.048 360 HA3 GLY 47 1HA GLY 47 12.441 0.169 5.214 361 H GLU 48 H GLU 48 9.845 0.645 6.500 362 HA GLU 48 HA GLU 48 8.145 0.496 4.303 363 HB2 GLU 48 2HB GLU 48 6.315 0.637 5.883 364 HB3 GLU 48 1HB GLU 48 7.610 -0.328 6.572 365 HG2 GLU 48 2HG GLU 48 6.888 2.515 7.271 366 HG3 GLU 48 1HG GLU 48 6.681 1.084 8.276 367 H ARG 49 H ARG 49 9.160 3.328 6.136 368 HA ARG 49 HA ARG 49 7.361 5.232 5.192 369 HB2 ARG 49 2HB ARG 49 9.221 6.882 5.588 370 HB3 ARG 49 1HB ARG 49 8.853 5.828 6.946 371 HG2 ARG 49 2HG ARG 49 10.788 4.465 6.489 372 HG3 ARG 49 1HG ARG 49 11.124 5.370 5.011 373 HD2 ARG 49 2HD ARG 49 11.090 6.607 7.766 374 HD3 ARG 49 1HD ARG 49 12.546 5.992 6.984 375 HE ARG 49 HE ARG 49 11.965 7.657 5.158 376 HH11 ARG 49 1HH1 ARG 49 11.105 8.180 8.455 377 HH12 ARG 49 2HH1 ARG 49 11.218 9.898 8.316 378 HH21 ARG 49 1HH2 ARG 49 12.110 9.849 4.996 379 HH22 ARG 49 2HH2 ARG 49 11.779 10.836 6.379 380 H CYS 50 H CYS 50 9.768 3.550 3.438 381 HA CYS 50 HA CYS 50 9.299 5.297 1.101 382 HB2 CYS 50 2HB CYS 50 11.680 3.485 1.602 383 HB3 CYS 50 1HB CYS 50 11.431 4.492 0.181 384 HG CYS 50 HG CYS 50 11.213 6.470 2.755 385 HA PRO 51 HA PRO 51 6.931 1.334 0.592 386 HB2 PRO 51 2HB PRO 51 5.231 2.408 -1.324 387 HB3 PRO 51 1HB PRO 51 4.936 2.415 0.417 388 HG2 PRO 51 2HG PRO 51 6.059 4.581 -1.324 389 HG3 PRO 51 1HG PRO 51 4.897 4.705 0.013 390 HD2 PRO 51 2HD PRO 51 7.468 5.369 0.352 391 HD3 PRO 51 1HD PRO 51 6.564 4.539 1.637 392 H GLN 52 H GLN 52 8.130 3.434 -2.016 393 HA GLN 52 HA GLN 52 8.065 1.542 -4.092 394 HB2 GLN 52 2HB GLN 52 9.828 3.022 -5.156 395 HB3 GLN 52 1HB GLN 52 8.336 3.819 -4.688 396 HG2 GLN 52 2HG GLN 52 10.042 5.293 -4.062 397 HG3 GLN 52 1HG GLN 52 9.530 4.522 -2.564 398 HE21 GLN 52 1HE2 GLN 52 11.595 3.039 -4.997 399 HE22 GLN 52 2HE2 GLN 52 13.013 2.987 -4.012 400 H SER 53 H SER 53 10.161 1.752 -1.383 401 HA SER 53 HA SER 53 12.314 0.184 -2.529 402 HB2 SER 53 2HB SER 53 12.860 1.808 -0.797 403 HB3 SER 53 1HB SER 53 11.755 1.024 0.331 404 HG SER 53 HG SER 53 13.194 -0.484 0.713 405 H VAL 54 H VAL 54 9.317 -0.448 -0.970 406 HA VAL 54 HA VAL 54 10.053 -3.196 -0.258 407 HB VAL 54 HB VAL 54 7.399 -1.784 0.138 408 HG11 VAL 54 1HG1 VAL 54 8.493 -4.338 1.336 409 HG12 VAL 54 2HG1 VAL 54 7.188 -4.209 0.156 410 HG13 VAL 54 3HG1 VAL 54 6.969 -3.567 1.784 411 HG21 VAL 54 3HG2 VAL 54 9.679 -2.144 2.094 412 HG22 VAL 54 1HG2 VAL 54 8.091 -1.475 2.475 413 HG23 VAL 54 2HG2 VAL 54 9.164 -0.621 1.363 414 H GLY 55 H GLY 55 7.962 -1.410 -2.484 415 HA2 GLY 55 2HA GLY 55 7.477 -2.146 -4.687 416 HA3 GLY 55 1HA GLY 55 7.797 -3.799 -4.190 417 H TRP 56 H TRP 56 5.950 -4.863 -4.651 418 HA TRP 56 HA TRP 56 3.345 -3.741 -4.202 419 HB2 TRP 56 2HB TRP 56 2.647 -6.217 -4.668 420 HB3 TRP 56 1HB TRP 56 3.319 -5.243 -5.970 421 HD1 TRP 56 HD1 TRP 56 4.727 -7.750 -3.335 422 HE1 TRP 56 HE1 TRP 56 6.511 -9.186 -4.505 423 HE3 TRP 56 HE3 TRP 56 4.595 -5.595 -7.975 424 HZ2 TRP 56 HZ2 TRP 56 7.702 -9.388 -7.056 425 HZ3 TRP 56 HZ3 TRP 56 6.092 -6.470 -9.724 426 HH2 TRP 56 HH2 TRP 56 7.613 -8.327 -9.272 427 H MET 57 H MET 57 2.059 -3.877 -2.457 428 HA MET 57 HA MET 57 2.850 -5.671 -0.245 429 HB2 MET 57 2HB MET 57 2.078 -2.750 0.002 430 HB3 MET 57 1HB MET 57 2.351 -3.842 1.353 431 HG2 MET 57 2HG MET 57 4.677 -4.094 0.724 432 HG3 MET 57 1HG MET 57 4.426 -3.080 -0.697 433 HE1 MET 57 3HE MET 57 3.751 0.419 0.856 434 HE2 MET 57 1HE MET 57 2.614 -0.785 0.252 435 HE3 MET 57 2HE MET 57 4.107 -0.463 -0.627 436 HA PRO 58 HA PRO 58 -1.573 -6.502 -0.170 437 HB2 PRO 58 2HB PRO 58 -1.670 -8.081 2.004 438 HB3 PRO 58 1HB PRO 58 -0.910 -8.618 0.502 439 HG2 PRO 58 2HG PRO 58 0.370 -7.553 2.992 440 HG3 PRO 58 1HG PRO 58 0.860 -8.928 1.986 441 HD2 PRO 58 2HD PRO 58 2.002 -6.432 1.830 442 HD3 PRO 58 1HD PRO 58 1.965 -7.587 0.483 443 H GLY 59 H GLY 59 -3.022 -4.960 0.413 444 HA2 GLY 59 2HA GLY 59 -3.322 -4.260 3.234 445 HA3 GLY 59 1HA GLY 59 -2.881 -2.942 2.165 446 H LEU 60 H LEU 60 -5.001 -2.268 3.284 447 HA LEU 60 HA LEU 60 -7.341 -3.166 1.712 448 HB2 LEU 60 2HB LEU 60 -7.663 -3.499 4.076 449 HB3 LEU 60 1HB LEU 60 -7.132 -1.866 4.430 450 HG LEU 60 HG LEU 60 -9.161 -0.999 3.262 451 HD11 LEU 60 1HD1 LEU 60 -11.000 -2.502 2.755 452 HD12 LEU 60 2HD1 LEU 60 -10.012 -3.894 3.200 453 HD13 LEU 60 3HD1 LEU 60 -9.577 -2.915 1.798 454 HD21 LEU 60 3HD2 LEU 60 -9.122 -1.225 5.686 455 HD22 LEU 60 1HD2 LEU 60 -9.680 -2.893 5.555 456 HD23 LEU 60 2HD2 LEU 60 -10.731 -1.568 5.053 457 H ASN 61 H ASN 61 -8.292 -1.762 0.329 458 HA ASN 61 HA ASN 61 -7.351 1.022 0.285 459 HB2 ASN 61 2HB ASN 61 -7.161 -0.163 -1.818 460 HB3 ASN 61 1HB ASN 61 -8.862 -0.615 -1.763 461 HD21 ASN 61 1HD2 ASN 61 -6.641 2.063 -2.167 462 HD22 ASN 61 2HD2 ASN 61 -7.775 3.122 -2.922 463 H GLU 62 H GLU 62 -8.755 2.812 0.357 464 HA GLU 62 HA GLU 62 -11.109 2.352 1.955 465 HB2 GLU 62 2HB GLU 62 -9.667 4.820 1.030 466 HB3 GLU 62 1HB GLU 62 -11.248 4.940 1.791 467 HG2 GLU 62 2HG GLU 62 -8.831 3.632 3.033 468 HG3 GLU 62 1HG GLU 62 -9.379 5.276 3.365 469 H ARG 63 H ARG 63 -10.603 3.895 -1.253 470 HA ARG 63 HA ARG 63 -13.319 4.541 -1.646 471 HB2 ARG 63 2HB ARG 63 -11.611 5.635 -2.952 472 HB3 ARG 63 1HB ARG 63 -11.124 4.109 -3.681 473 HG2 ARG 63 2HG ARG 63 -13.292 3.933 -4.790 474 HG3 ARG 63 1HG ARG 63 -13.806 5.444 -4.041 475 HD2 ARG 63 2HD ARG 63 -12.130 6.673 -5.259 476 HD3 ARG 63 1HD ARG 63 -11.440 5.178 -5.897 477 HE ARG 63 HE ARG 63 -13.952 5.029 -6.787 478 HH11 ARG 63 1HH1 ARG 63 -11.722 7.656 -6.868 479 HH12 ARG 63 2HH1 ARG 63 -12.365 8.281 -8.348 480 HH21 ARG 63 1HH2 ARG 63 -14.752 5.835 -8.670 481 HH22 ARG 63 2HH2 ARG 63 -14.061 7.271 -9.354 482 H THR 64 H THR 64 -11.519 1.632 -2.576 483 HA THR 64 HA THR 64 -13.867 0.544 -3.949 484 HB THR 64 HB THR 64 -12.420 -1.308 -4.622 485 HG1 THR 64 HG1 THR 64 -10.147 -0.110 -3.501 486 HG21 THR 64 3HG2 THR 64 -11.054 1.369 -4.988 487 HG22 THR 64 1HG2 THR 64 -12.368 0.738 -5.982 488 HG23 THR 64 2HG2 THR 64 -10.798 -0.066 -5.981 489 H ARG 65 H ARG 65 -12.455 0.417 -0.848 490 HA ARG 65 HA ARG 65 -12.705 -0.876 1.000 491 HB2 ARG 65 2HB ARG 65 -15.283 -1.567 -0.420 492 HB3 ARG 65 1HB ARG 65 -14.883 -2.225 1.158 493 HG2 ARG 65 2HG ARG 65 -16.270 -0.394 1.597 494 HG3 ARG 65 1HG ARG 65 -14.641 0.181 1.947 495 HD2 ARG 65 2HD ARG 65 -15.839 1.890 0.745 496 HD3 ARG 65 1HD ARG 65 -14.580 1.235 -0.301 497 HE ARG 65 HE ARG 65 -16.767 -0.218 -0.968 498 HH11 ARG 65 1HH1 ARG 65 -16.145 3.165 -0.774 499 HH12 ARG 65 2HH1 ARG 65 -17.276 3.557 -2.021 500 HH21 ARG 65 1HH2 ARG 65 -18.232 0.290 -2.538 501 HH22 ARG 65 2HH2 ARG 65 -18.482 1.947 -2.979 502 H GLN 66 H GLN 66 -11.450 -2.021 -1.551 503 HA GLN 66 HA GLN 66 -11.878 -4.894 -1.124 504 HB2 GLN 66 2HB GLN 66 -10.468 -3.419 -3.359 505 HB3 GLN 66 1HB GLN 66 -10.648 -5.167 -3.266 506 HG2 GLN 66 2HG GLN 66 -13.066 -4.952 -3.385 507 HG3 GLN 66 1HG GLN 66 -12.924 -3.195 -3.404 508 HE21 GLN 66 1HE2 GLN 66 -14.004 -3.074 -5.384 509 HE22 GLN 66 2HE2 GLN 66 -13.233 -3.512 -6.866 510 H ARG 67 H ARG 67 -10.032 -6.348 -1.146 511 HA ARG 67 HA ARG 67 -7.661 -5.194 0.200 512 HB2 ARG 67 2HB ARG 67 -8.928 -7.898 0.721 513 HB3 ARG 67 1HB ARG 67 -7.573 -7.187 1.593 514 HG2 ARG 67 2HG ARG 67 -8.983 -5.486 2.529 515 HG3 ARG 67 1HG ARG 67 -10.343 -5.996 1.527 516 HD2 ARG 67 2HD ARG 67 -10.631 -6.826 3.781 517 HD3 ARG 67 1HD ARG 67 -10.349 -8.173 2.681 518 HE ARG 67 HE ARG 67 -7.891 -7.785 3.563 519 HH11 ARG 67 1HH1 ARG 67 -10.855 -7.858 5.315 520 HH12 ARG 67 2HH1 ARG 67 -10.101 -8.397 6.771 521 HH21 ARG 67 1HH2 ARG 67 -6.952 -8.501 5.431 522 HH22 ARG 67 2HH2 ARG 67 -7.927 -8.752 6.840 523 H GLY 68 H GLY 68 -5.670 -5.816 -0.556 524 HA2 GLY 68 2HA GLY 68 -4.970 -8.231 -1.737 525 HA3 GLY 68 1HA GLY 68 -5.500 -7.196 -3.055 526 H ASP 69 H ASP 69 -3.155 -7.740 -3.618 527 HA ASP 69 HA ASP 69 -1.167 -6.139 -2.219 528 HB2 ASP 69 2HB ASP 69 -0.930 -7.940 -4.644 529 HB3 ASP 69 1HB ASP 69 0.421 -7.158 -3.829 530 H PHE 70 H PHE 70 -0.760 -4.073 -2.751 531 HA PHE 70 HA PHE 70 -1.405 -3.144 -5.480 532 HB2 PHE 70 2HB PHE 70 -1.651 -0.896 -4.553 533 HB3 PHE 70 1HB PHE 70 -2.708 -2.019 -3.714 534 HD1 PHE 70 HD1 PHE 70 -2.188 -2.721 -1.396 535 HD2 PHE 70 HD2 PHE 70 0.107 0.257 -3.406 536 HE1 PHE 70 HE1 PHE 70 -1.273 -1.970 0.761 537 HE2 PHE 70 HE2 PHE 70 1.026 1.004 -1.251 538 HZ PHE 70 HZ PHE 70 0.338 -0.108 0.835 539 HA PRO 71 HA PRO 71 2.956 -2.300 -6.097 540 HB2 PRO 71 2HB PRO 71 2.731 -0.360 -8.021 541 HB3 PRO 71 1HB PRO 71 2.548 -2.085 -8.351 542 HG2 PRO 71 2HG PRO 71 0.435 -0.004 -7.920 543 HG3 PRO 71 1HG PRO 71 0.492 -1.310 -9.120 544 HD2 PRO 71 2HD PRO 71 -0.992 -1.490 -6.867 545 HD3 PRO 71 1HD PRO 71 -0.212 -2.909 -7.600 546 H GLY 72 H GLY 72 3.761 -1.309 -4.273 547 HA2 GLY 72 2HA GLY 72 2.779 1.204 -3.301 548 HA3 GLY 72 1HA GLY 72 4.136 0.294 -2.661 549 H THR 73 H THR 73 3.869 1.488 -5.989 550 HA THR 73 HA THR 73 6.236 3.178 -5.506 551 HB THR 73 HB THR 73 6.639 3.118 -7.895 552 HG1 THR 73 HG1 THR 73 5.014 2.783 -9.199 553 HG21 THR 73 3HG2 THR 73 7.009 0.711 -8.238 554 HG22 THR 73 1HG2 THR 73 5.949 0.351 -6.874 555 HG23 THR 73 2HG2 THR 73 7.472 1.200 -6.608 556 H TYR 74 H TYR 74 2.912 3.235 -6.590 557 HA TYR 74 HA TYR 74 3.057 6.042 -7.402 558 HB2 TYR 74 2HB TYR 74 0.613 4.260 -7.352 559 HB3 TYR 74 1HB TYR 74 0.831 5.756 -8.251 560 HD1 TYR 74 HD2 TYR 74 2.806 5.703 -10.027 561 HD2 TYR 74 HD1 TYR 74 0.877 2.243 -8.456 562 HE1 TYR 74 HE2 TYR 74 3.527 4.410 -11.990 563 HE2 TYR 74 HE1 TYR 74 1.596 0.950 -10.415 564 HH TYR 74 HH TYR 74 2.234 1.399 -12.775 565 H VAL 75 H VAL 75 3.071 4.835 -4.477 566 HA VAL 75 HA VAL 75 0.834 6.464 -3.422 567 HB VAL 75 HB VAL 75 0.643 4.935 -1.536 568 HG11 VAL 75 1HG1 VAL 75 -0.191 2.927 -2.719 569 HG12 VAL 75 2HG1 VAL 75 0.578 3.505 -4.197 570 HG13 VAL 75 3HG1 VAL 75 -0.727 4.434 -3.461 571 HG21 VAL 75 3HG2 VAL 75 2.943 4.212 -1.313 572 HG22 VAL 75 1HG2 VAL 75 2.861 3.366 -2.861 573 HG23 VAL 75 2HG2 VAL 75 1.899 2.802 -1.494 574 H GLU 76 H GLU 76 1.195 7.800 -1.670 575 HA GLU 76 HA GLU 76 3.966 8.260 -0.857 576 HB2 GLU 76 2HB GLU 76 3.206 10.319 0.116 577 HB3 GLU 76 1HB GLU 76 2.455 10.178 -1.467 578 HG2 GLU 76 2HG GLU 76 0.358 9.504 -0.459 579 HG3 GLU 76 1HG GLU 76 1.097 9.499 1.141 580 H PHE 77 H PHE 77 4.272 8.786 1.552 581 HA PHE 77 HA PHE 77 3.028 6.655 3.159 582 HB2 PHE 77 2HB PHE 77 5.484 6.615 2.995 583 HB3 PHE 77 1HB PHE 77 5.561 8.246 3.652 584 HD1 PHE 77 HD2 PHE 77 4.293 4.837 4.491 585 HD2 PHE 77 HD1 PHE 77 5.854 8.530 5.941 586 HE1 PHE 77 HE2 PHE 77 4.399 3.900 6.761 587 HE2 PHE 77 HE1 PHE 77 5.958 7.592 8.212 588 HZ PHE 77 HZ PHE 77 5.233 5.277 8.624 589 H LEU 78 H LEU 78 1.694 7.130 4.825 590 HA LEU 78 HA LEU 78 1.208 9.969 5.430 591 HB2 LEU 78 2HB LEU 78 -0.443 7.512 6.044 592 HB3 LEU 78 1HB LEU 78 -0.901 9.155 6.454 593 HG LEU 78 HG LEU 78 -0.556 8.057 3.657 594 HD11 LEU 78 1HD1 LEU 78 -3.041 8.874 5.163 595 HD12 LEU 78 2HD1 LEU 78 -2.558 7.226 4.769 596 HD13 LEU 78 3HD1 LEU 78 -2.972 8.352 3.479 597 HD21 LEU 78 3HD2 LEU 78 -1.436 10.219 2.909 598 HD22 LEU 78 1HD2 LEU 78 0.091 10.406 3.767 599 HD23 LEU 78 2HD2 LEU 78 -1.426 10.801 4.573 600 H GLY 79 H GLY 79 1.569 6.876 7.209 601 HA2 GLY 79 2HA GLY 79 3.355 7.538 9.102 602 HA3 GLY 79 1HA GLY 79 1.908 8.314 9.722 603 HA PRO 80 HA PRO 80 1.963 3.873 11.172 604 HB2 PRO 80 2HB PRO 80 2.441 4.221 13.784 605 HB3 PRO 80 1HB PRO 80 3.751 4.260 12.596 606 HG2 PRO 80 2HG PRO 80 2.346 6.539 13.941 607 HG3 PRO 80 1HG PRO 80 4.075 6.333 13.606 608 HD2 PRO 80 2HD PRO 80 2.341 7.838 12.057 609 HD3 PRO 80 1HD PRO 80 3.873 7.155 11.479 610 H LEU 81 H LEU 81 0.238 2.778 12.016 611 HA LEU 81 HA LEU 81 -2.177 4.189 12.687 612 HB2 LEU 81 2HB LEU 81 -1.461 1.255 12.630 613 HB3 LEU 81 1HB LEU 81 -3.053 1.838 13.078 614 HG LEU 81 HG LEU 81 -1.747 2.323 10.395 615 HD11 LEU 81 1HD1 LEU 81 -3.873 0.322 11.183 616 HD12 LEU 81 2HD1 LEU 81 -2.213 -0.052 10.723 617 HD13 LEU 81 3HD1 LEU 81 -3.317 0.645 9.541 618 HD21 LEU 81 3HD2 LEU 81 -3.360 4.048 11.008 619 HD22 LEU 81 1HD2 LEU 81 -4.565 2.812 11.376 620 HD23 LEU 81 2HD2 LEU 81 -4.000 3.030 9.719 621 H GLU 82 H GLU 82 -2.557 4.991 14.667 622 HA GLU 82 HA GLU 82 -1.737 3.382 17.003 623 HB2 GLU 82 2HB GLU 82 -0.312 5.420 16.721 624 HB3 GLU 82 1HB GLU 82 -1.753 6.410 16.916 625 HG2 GLU 82 2HG GLU 82 -2.087 5.484 19.158 626 HG3 GLU 82 1HG GLU 82 -0.643 4.495 18.962 Start of MODEL 2 1 H1 MET 1 1H MET 1 -3.681 6.320 21.051 2 H2 MET 1 2H MET 1 -3.937 4.981 20.055 3 H3 MET 1 3H MET 1 -2.538 5.070 21.003 4 HA MET 1 HA MET 1 -3.827 4.933 23.012 5 HB2 MET 1 2HB MET 1 -5.849 6.041 22.141 6 HB3 MET 1 1HB MET 1 -6.193 4.638 21.139 7 HG2 MET 1 2HG MET 1 -6.533 3.274 23.117 8 HG3 MET 1 1HG MET 1 -6.093 4.631 24.153 9 HE1 MET 1 3HE MET 1 -9.060 7.117 23.535 10 HE2 MET 1 1HE MET 1 -7.506 7.080 22.700 11 HE3 MET 1 2HE MET 1 -7.575 6.822 24.442 12 H ALA 2 H ALA 2 -4.584 3.091 20.042 13 HA ALA 2 HA ALA 2 -4.550 0.566 21.445 14 HB1 ALA 2 3HB ALA 2 -6.043 0.929 19.533 15 HB2 ALA 2 1HB ALA 2 -4.953 -0.430 19.256 16 HB3 ALA 2 2HB ALA 2 -4.645 1.123 18.476 17 H GLY 3 H GLY 3 -2.543 1.948 18.820 18 HA2 GLY 3 2HA GLY 3 -0.042 1.729 19.538 19 HA3 GLY 3 1HA GLY 3 -0.417 0.014 19.463 20 HA PRO 4 HA PRO 4 0.988 1.481 15.215 21 HB2 PRO 4 2HB PRO 4 3.201 -0.056 14.992 22 HB3 PRO 4 1HB PRO 4 3.224 1.509 15.818 23 HG2 PRO 4 2HG PRO 4 3.045 -1.250 16.992 24 HG3 PRO 4 1HG PRO 4 4.046 0.120 17.512 25 HD2 PRO 4 2HD PRO 4 1.692 -0.547 18.719 26 HD3 PRO 4 1HD PRO 4 2.306 1.118 18.648 27 H GLU 5 H GLU 5 -1.121 -0.284 15.723 28 HA GLU 5 HA GLU 5 -0.812 -2.943 14.922 29 HB2 GLU 5 2HB GLU 5 -3.224 -1.166 14.481 30 HB3 GLU 5 1HB GLU 5 -3.223 -2.924 14.509 31 HG2 GLU 5 2HG GLU 5 -2.566 -1.124 16.840 32 HG3 GLU 5 1HG GLU 5 -4.091 -1.969 16.588 33 H GLY 6 H GLY 6 -1.155 -0.028 13.001 34 HA2 GLY 6 2HA GLY 6 -0.212 -1.368 10.637 35 HA3 GLY 6 1HA GLY 6 -1.913 -0.934 10.531 36 H PHE 7 H PHE 7 0.036 0.072 8.790 37 HA PHE 7 HA PHE 7 0.272 2.895 9.615 38 HB2 PHE 7 2HB PHE 7 1.841 1.326 7.550 39 HB3 PHE 7 1HB PHE 7 2.022 3.056 7.836 40 HD1 PHE 7 HD2 PHE 7 2.568 -0.301 9.249 41 HD2 PHE 7 HD1 PHE 7 3.212 3.879 9.752 42 HE1 PHE 7 HE2 PHE 7 4.216 -0.768 11.014 43 HE2 PHE 7 HE1 PHE 7 4.856 3.416 11.520 44 HZ PHE 7 HZ PHE 7 5.361 1.090 12.153 45 H GLN 8 H GLN 8 -0.194 4.542 8.047 46 HA GLN 8 HA GLN 8 -2.181 3.690 6.035 47 HB2 GLN 8 2HB GLN 8 -2.109 6.236 7.675 48 HB3 GLN 8 1HB GLN 8 -3.286 5.878 6.416 49 HG2 GLN 8 2HG GLN 8 -4.154 4.018 7.687 50 HG3 GLN 8 1HG GLN 8 -2.903 4.231 8.913 51 HE21 GLN 8 1HE2 GLN 8 -3.050 5.989 10.328 52 HE22 GLN 8 2HE2 GLN 8 -4.527 6.849 10.557 53 H TYR 9 H TYR 9 -1.783 4.183 3.997 54 HA TYR 9 HA TYR 9 0.282 6.195 3.352 55 HB2 TYR 9 2HB TYR 9 -0.648 3.874 1.637 56 HB3 TYR 9 1HB TYR 9 0.702 4.953 1.304 57 HD1 TYR 9 HD1 TYR 9 -0.498 2.271 3.548 58 HD2 TYR 9 HD2 TYR 9 2.860 4.541 2.248 59 HE1 TYR 9 HE1 TYR 9 0.996 0.717 4.719 60 HE2 TYR 9 HE2 TYR 9 4.370 2.988 3.417 61 HH TYR 9 HH TYR 9 4.236 1.358 5.332 62 H ARG 10 H ARG 10 -0.059 7.216 1.130 63 HA ARG 10 HA ARG 10 -2.933 7.723 0.641 64 HB2 ARG 10 2HB ARG 10 -2.001 9.652 1.760 65 HB3 ARG 10 1HB ARG 10 -0.644 9.702 0.647 66 HG2 ARG 10 2HG ARG 10 -2.101 10.355 -1.172 67 HG3 ARG 10 1HG ARG 10 -3.522 10.175 -0.139 68 HD2 ARG 10 2HD ARG 10 -2.852 12.011 1.234 69 HD3 ARG 10 1HD ARG 10 -1.268 12.087 0.463 70 HE ARG 10 HE ARG 10 -2.327 12.953 -1.505 71 HH11 ARG 10 1HH1 ARG 10 -4.368 12.808 1.275 72 HH12 ARG 10 2HH1 ARG 10 -5.437 14.028 0.673 73 HH21 ARG 10 1HH2 ARG 10 -3.705 14.516 -2.243 74 HH22 ARG 10 2HH2 ARG 10 -5.077 14.973 -1.293 75 H ALA 11 H ALA 11 -3.529 7.075 -1.325 76 HA ALA 11 HA ALA 11 -1.696 6.349 -3.367 77 HB1 ALA 11 3HB ALA 11 -3.888 5.285 -3.115 78 HB2 ALA 11 1HB ALA 11 -3.662 5.929 -4.741 79 HB3 ALA 11 2HB ALA 11 -4.673 6.793 -3.582 80 H LEU 12 H LEU 12 -0.624 7.643 -4.704 81 HA LEU 12 HA LEU 12 -1.437 10.428 -5.002 82 HB2 LEU 12 2HB LEU 12 1.024 9.036 -6.070 83 HB3 LEU 12 1HB LEU 12 0.759 10.767 -5.969 84 HG LEU 12 HG LEU 12 1.108 8.865 -3.644 85 HD11 LEU 12 1HD1 LEU 12 3.149 10.110 -3.209 86 HD12 LEU 12 2HD1 LEU 12 2.846 11.133 -4.616 87 HD13 LEU 12 3HD1 LEU 12 3.182 9.414 -4.832 88 HD21 LEU 12 3HD2 LEU 12 0.994 10.873 -2.227 89 HD22 LEU 12 1HD2 LEU 12 -0.525 10.566 -3.066 90 HD23 LEU 12 2HD2 LEU 12 0.558 11.835 -3.639 91 H TYR 13 H TYR 13 -0.892 7.589 -7.044 92 HA TYR 13 HA TYR 13 -2.360 8.934 -9.221 93 HB2 TYR 13 2HB TYR 13 0.111 7.197 -9.457 94 HB3 TYR 13 1HB TYR 13 -0.907 7.625 -10.830 95 HD1 TYR 13 HD2 TYR 13 1.464 8.913 -8.319 96 HD2 TYR 13 HD1 TYR 13 -0.866 9.859 -11.757 97 HE1 TYR 13 HE2 TYR 13 2.706 11.017 -8.576 98 HE2 TYR 13 HE1 TYR 13 0.369 11.969 -12.019 99 HH TYR 13 HH TYR 13 3.211 12.675 -10.153 100 HA PRO 14 HA PRO 14 -5.017 5.420 -9.142 101 HB2 PRO 14 2HB PRO 14 -6.024 5.438 -11.658 102 HB3 PRO 14 1HB PRO 14 -6.441 6.666 -10.456 103 HG2 PRO 14 2HG PRO 14 -4.450 6.804 -12.695 104 HG3 PRO 14 1HG PRO 14 -5.626 8.023 -12.167 105 HD2 PRO 14 2HD PRO 14 -2.992 8.111 -11.478 106 HD3 PRO 14 1HD PRO 14 -4.281 8.755 -10.441 107 H PHE 15 H PHE 15 -5.228 3.256 -9.739 108 HA PHE 15 HA PHE 15 -3.447 2.155 -11.791 109 HB2 PHE 15 2HB PHE 15 -2.186 2.074 -9.649 110 HB3 PHE 15 1HB PHE 15 -3.496 1.147 -8.929 111 HD1 PHE 15 HD1 PHE 15 -0.908 1.069 -11.584 112 HD2 PHE 15 HD2 PHE 15 -3.585 -1.198 -9.164 113 HE1 PHE 15 HE1 PHE 15 0.158 -1.010 -12.353 114 HE2 PHE 15 HE2 PHE 15 -2.518 -3.280 -9.929 115 HZ PHE 15 HZ PHE 15 -0.644 -3.187 -11.526 116 H ARG 16 H ARG 16 -4.441 0.574 -12.944 117 HA ARG 16 HA ARG 16 -7.064 -0.362 -11.982 118 HB2 ARG 16 2HB ARG 16 -5.956 -0.343 -14.797 119 HB3 ARG 16 1HB ARG 16 -7.585 -0.819 -14.333 120 HG2 ARG 16 2HG ARG 16 -7.990 1.471 -13.502 121 HG3 ARG 16 1HG ARG 16 -6.381 1.932 -14.059 122 HD2 ARG 16 2HD ARG 16 -7.030 1.307 -16.361 123 HD3 ARG 16 1HD ARG 16 -8.655 0.933 -15.780 124 HE ARG 16 HE ARG 16 -7.620 3.627 -15.322 125 HH11 ARG 16 1HH1 ARG 16 -9.726 1.546 -17.084 126 HH12 ARG 16 2HH1 ARG 16 -10.666 2.853 -17.715 127 HH21 ARG 16 1HH2 ARG 16 -8.814 5.295 -16.151 128 HH22 ARG 16 2HH2 ARG 16 -10.155 4.958 -17.188 129 H ARG 17 H ARG 17 -7.742 -2.570 -12.598 130 HA ARG 17 HA ARG 17 -5.575 -4.452 -11.951 131 HB2 ARG 17 2HB ARG 17 -8.585 -4.711 -11.790 132 HB3 ARG 17 1HB ARG 17 -7.462 -6.008 -11.402 133 HG2 ARG 17 2HG ARG 17 -6.545 -4.713 -9.574 134 HG3 ARG 17 1HG ARG 17 -7.573 -3.346 -9.997 135 HD2 ARG 17 2HD ARG 17 -8.570 -6.071 -9.147 136 HD3 ARG 17 1HD ARG 17 -8.458 -4.659 -8.096 137 HE ARG 17 HE ARG 17 -10.028 -3.621 -9.839 138 HH11 ARG 17 1HH1 ARG 17 -10.085 -6.937 -8.910 139 HH12 ARG 17 2HH1 ARG 17 -11.772 -7.107 -9.253 140 HH21 ARG 17 1HH2 ARG 17 -12.149 -3.841 -10.280 141 HH22 ARG 17 2HH2 ARG 17 -12.925 -5.376 -10.057 142 H GLU 18 H GLU 18 -4.765 -5.784 -13.479 143 HA GLU 18 HA GLU 18 -6.273 -6.403 -15.894 144 HB2 GLU 18 2HB GLU 18 -4.304 -7.699 -16.556 145 HB3 GLU 18 1HB GLU 18 -3.833 -6.088 -16.031 146 HG2 GLU 18 2HG GLU 18 -3.020 -6.919 -13.944 147 HG3 GLU 18 1HG GLU 18 -3.699 -8.516 -14.254 148 H ARG 19 H ARG 19 -5.847 -7.686 -12.756 149 HA ARG 19 HA ARG 19 -7.289 -10.156 -13.481 150 HB2 ARG 19 2HB ARG 19 -5.028 -9.978 -11.465 151 HB3 ARG 19 1HB ARG 19 -5.940 -11.425 -11.876 152 HG2 ARG 19 2HG ARG 19 -5.002 -11.474 -14.078 153 HG3 ARG 19 1HG ARG 19 -4.243 -9.899 -13.846 154 HD2 ARG 19 2HD ARG 19 -2.895 -10.887 -12.001 155 HD3 ARG 19 1HD ARG 19 -3.574 -12.466 -12.403 156 HE ARG 19 HE ARG 19 -2.555 -11.687 -14.755 157 HH11 ARG 19 1HH1 ARG 19 -1.202 -11.672 -11.590 158 HH12 ARG 19 2HH1 ARG 19 0.411 -11.899 -12.165 159 HH21 ARG 19 1HH2 ARG 19 -0.490 -11.970 -15.477 160 HH22 ARG 19 2HH2 ARG 19 0.807 -12.071 -14.340 161 HA PRO 20 HA PRO 20 -10.054 -9.158 -10.084 162 HB2 PRO 20 2HB PRO 20 -10.014 -12.053 -9.408 163 HB3 PRO 20 1HB PRO 20 -11.384 -11.009 -9.800 164 HG2 PRO 20 2HG PRO 20 -10.500 -12.815 -11.554 165 HG3 PRO 20 1HG PRO 20 -11.055 -11.217 -12.093 166 HD2 PRO 20 2HD PRO 20 -8.253 -12.234 -11.744 167 HD3 PRO 20 1HD PRO 20 -8.930 -11.227 -13.041 168 H GLU 21 H GLU 21 -7.244 -11.205 -9.508 169 HA GLU 21 HA GLU 21 -7.229 -10.888 -6.646 170 HB2 GLU 21 2HB GLU 21 -5.193 -11.948 -8.613 171 HB3 GLU 21 1HB GLU 21 -4.895 -11.877 -6.883 172 HG2 GLU 21 2HG GLU 21 -5.598 -14.104 -7.641 173 HG3 GLU 21 1HG GLU 21 -6.695 -13.411 -6.450 174 H ASP 22 H ASP 22 -6.493 -8.745 -9.077 175 HA ASP 22 HA ASP 22 -4.161 -7.505 -7.866 176 HB2 ASP 22 2HB ASP 22 -4.931 -7.728 -10.420 177 HB3 ASP 22 1HB ASP 22 -5.739 -6.214 -10.063 178 H LEU 23 H LEU 23 -4.433 -4.879 -7.766 179 HA LEU 23 HA LEU 23 -6.923 -4.299 -6.279 180 HB2 LEU 23 2HB LEU 23 -5.178 -4.760 -4.662 181 HB3 LEU 23 1HB LEU 23 -4.099 -3.623 -5.448 182 HG LEU 23 HG LEU 23 -5.509 -1.753 -4.771 183 HD11 LEU 23 1HD1 LEU 23 -7.429 -2.089 -3.287 184 HD12 LEU 23 2HD1 LEU 23 -7.263 -3.837 -3.473 185 HD13 LEU 23 3HD1 LEU 23 -7.680 -2.833 -4.865 186 HD21 LEU 23 3HD2 LEU 23 -3.763 -2.498 -3.232 187 HD22 LEU 23 1HD2 LEU 23 -4.900 -3.600 -2.460 188 HD23 LEU 23 2HD2 LEU 23 -5.152 -1.857 -2.357 189 H GLU 24 H GLU 24 -7.964 -2.522 -6.983 190 HA GLU 24 HA GLU 24 -6.640 -0.620 -8.745 191 HB2 GLU 24 2HB GLU 24 -9.507 -0.954 -7.861 192 HB3 GLU 24 1HB GLU 24 -8.976 0.452 -8.776 193 HG2 GLU 24 2HG GLU 24 -8.254 -0.992 -10.601 194 HG3 GLU 24 1HG GLU 24 -8.747 -2.409 -9.680 195 H LEU 25 H LEU 25 -5.951 1.341 -8.221 196 HA LEU 25 HA LEU 25 -6.587 2.440 -5.547 197 HB2 LEU 25 2HB LEU 25 -4.039 2.841 -7.133 198 HB3 LEU 25 1HB LEU 25 -4.366 3.447 -5.519 199 HG LEU 25 HG LEU 25 -4.027 0.547 -6.308 200 HD11 LEU 25 1HD1 LEU 25 -1.933 1.782 -6.289 201 HD12 LEU 25 2HD1 LEU 25 -2.004 0.642 -4.948 202 HD13 LEU 25 3HD1 LEU 25 -2.270 2.361 -4.656 203 HD21 LEU 25 3HD2 LEU 25 -4.576 1.753 -3.594 204 HD22 LEU 25 1HD2 LEU 25 -4.164 0.065 -3.907 205 HD23 LEU 25 2HD2 LEU 25 -5.670 0.735 -4.533 206 H LEU 26 H LEU 26 -7.306 4.542 -5.458 207 HA LEU 26 HA LEU 26 -7.186 6.130 -7.947 208 HB2 LEU 26 2HB LEU 26 -9.334 5.966 -5.839 209 HB3 LEU 26 1HB LEU 26 -9.209 7.350 -6.905 210 HG LEU 26 HG LEU 26 -10.887 5.871 -7.771 211 HD11 LEU 26 1HD1 LEU 26 -10.038 5.428 -10.012 212 HD12 LEU 26 2HD1 LEU 26 -8.382 5.622 -9.437 213 HD13 LEU 26 3HD1 LEU 26 -9.488 6.995 -9.423 214 HD21 LEU 26 3HD2 LEU 26 -10.468 3.564 -8.392 215 HD22 LEU 26 1HD2 LEU 26 -10.140 3.798 -6.676 216 HD23 LEU 26 2HD2 LEU 26 -8.805 3.684 -7.821 217 HA PRO 27 HA PRO 27 -4.659 9.034 -5.851 218 HB2 PRO 27 2HB PRO 27 -5.427 11.389 -7.030 219 HB3 PRO 27 1HB PRO 27 -4.393 10.188 -7.811 220 HG2 PRO 27 2HG PRO 27 -7.343 10.633 -8.119 221 HG3 PRO 27 1HG PRO 27 -6.125 10.305 -9.367 222 HD2 PRO 27 2HD PRO 27 -7.760 8.372 -8.444 223 HD3 PRO 27 1HD PRO 27 -6.080 8.028 -8.905 224 H GLY 28 H GLY 28 -5.162 9.222 -3.714 225 HA2 GLY 28 2HA GLY 28 -5.897 11.170 -2.246 226 HA3 GLY 28 1HA GLY 28 -7.480 10.903 -2.957 227 H ASP 29 H ASP 29 -6.822 7.893 -2.879 228 HA ASP 29 HA ASP 29 -8.257 7.323 -0.525 229 HB2 ASP 29 2HB ASP 29 -6.565 5.469 -2.213 230 HB3 ASP 29 1HB ASP 29 -7.722 4.952 -0.991 231 H VAL 30 H VAL 30 -7.696 6.613 1.473 232 HA VAL 30 HA VAL 30 -4.876 6.734 2.257 233 HB VAL 30 HB VAL 30 -7.385 6.514 3.946 234 HG11 VAL 30 1HG1 VAL 30 -5.481 5.449 5.043 235 HG12 VAL 30 2HG1 VAL 30 -5.932 6.942 5.865 236 HG13 VAL 30 3HG1 VAL 30 -4.517 6.908 4.811 237 HG21 VAL 30 3HG2 VAL 30 -6.925 8.834 4.568 238 HG22 VAL 30 1HG2 VAL 30 -7.148 8.686 2.826 239 HG23 VAL 30 2HG2 VAL 30 -5.525 8.856 3.496 240 H LEU 31 H LEU 31 -3.910 4.823 1.715 241 HA LEU 31 HA LEU 31 -5.310 2.304 1.878 242 HB2 LEU 31 2HB LEU 31 -2.469 3.004 1.142 243 HB3 LEU 31 1HB LEU 31 -3.061 1.355 1.190 244 HG LEU 31 HG LEU 31 -4.768 1.976 -0.537 245 HD11 LEU 31 1HD1 LEU 31 -4.451 4.017 -1.832 246 HD12 LEU 31 2HD1 LEU 31 -3.183 4.537 -0.723 247 HD13 LEU 31 3HD1 LEU 31 -4.845 4.384 -0.154 248 HD21 LEU 31 3HD2 LEU 31 -3.159 2.025 -2.409 249 HD22 LEU 31 1HD2 LEU 31 -2.755 0.824 -1.184 250 HD23 LEU 31 2HD2 LEU 31 -1.863 2.341 -1.257 251 H VAL 32 H VAL 32 -5.534 1.174 3.682 252 HA VAL 32 HA VAL 32 -3.697 1.601 5.921 253 HB VAL 32 HB VAL 32 -6.308 0.070 5.813 254 HG11 VAL 32 1HG1 VAL 32 -4.852 -0.792 7.561 255 HG12 VAL 32 2HG1 VAL 32 -6.190 0.108 8.274 256 HG13 VAL 32 3HG1 VAL 32 -4.586 0.838 8.178 257 HG21 VAL 32 3HG2 VAL 32 -7.237 1.992 7.039 258 HG22 VAL 32 1HG2 VAL 32 -6.629 2.465 5.455 259 HG23 VAL 32 2HG2 VAL 32 -5.689 2.827 6.903 260 H VAL 33 H VAL 33 -2.004 0.292 6.160 261 HA VAL 33 HA VAL 33 -2.214 -2.532 5.297 262 HB VAL 33 HB VAL 33 0.254 -0.779 5.466 263 HG11 VAL 33 1HG1 VAL 33 0.823 -3.051 6.111 264 HG12 VAL 33 2HG1 VAL 33 1.465 -2.705 4.505 265 HG13 VAL 33 3HG1 VAL 33 0.012 -3.689 4.682 266 HG21 VAL 33 3HG2 VAL 33 -1.133 -0.278 3.523 267 HG22 VAL 33 1HG2 VAL 33 -1.154 -1.986 3.080 268 HG23 VAL 33 2HG2 VAL 33 0.357 -1.082 3.026 269 H SER 34 H SER 34 -2.218 -3.981 6.915 270 HA SER 34 HA SER 34 -1.720 -3.328 9.632 271 HB2 SER 34 2HB SER 34 -1.801 -6.068 8.329 272 HB3 SER 34 1HB SER 34 -1.931 -5.745 10.057 273 HG SER 34 HG SER 34 -3.871 -4.600 9.618 274 H ARG 35 H ARG 35 0.125 -3.403 10.845 275 HA ARG 35 HA ARG 35 2.623 -3.279 9.627 276 HB2 ARG 35 2HB ARG 35 2.142 -2.324 11.835 277 HB3 ARG 35 1HB ARG 35 2.007 -3.940 12.517 278 HG2 ARG 35 2HG ARG 35 4.360 -4.361 12.046 279 HG3 ARG 35 1HG ARG 35 4.506 -2.778 11.283 280 HD2 ARG 35 2HD ARG 35 5.397 -2.744 13.554 281 HD3 ARG 35 1HD ARG 35 3.983 -1.697 13.415 282 HE ARG 35 HE ARG 35 2.896 -3.979 14.298 283 HH11 ARG 35 1HH1 ARG 35 5.660 -2.237 15.374 284 HH12 ARG 35 2HH1 ARG 35 5.454 -2.713 17.020 285 HH21 ARG 35 1HH2 ARG 35 2.641 -4.593 16.402 286 HH22 ARG 35 2HH2 ARG 35 3.749 -4.027 17.599 287 H ALA 36 H ALA 36 0.984 -6.077 11.018 288 HA ALA 36 HA ALA 36 3.065 -7.923 11.043 289 HB1 ALA 36 3HB ALA 36 1.349 -9.647 10.880 290 HB2 ALA 36 1HB ALA 36 0.174 -8.447 10.337 291 HB3 ALA 36 2HB ALA 36 0.837 -8.359 11.969 292 H ALA 37 H ALA 37 1.138 -6.786 8.306 293 HA ALA 37 HA ALA 37 1.960 -8.715 6.412 294 HB1 ALA 37 3HB ALA 37 1.134 -7.161 4.729 295 HB2 ALA 37 1HB ALA 37 1.087 -5.868 5.930 296 HB3 ALA 37 2HB ALA 37 0.016 -7.261 6.090 297 H LEU 38 H LEU 38 3.405 -5.665 7.450 298 HA LEU 38 HA LEU 38 5.359 -5.392 5.446 299 HB2 LEU 38 2HB LEU 38 5.480 -4.557 8.352 300 HB3 LEU 38 1HB LEU 38 6.563 -3.989 7.093 301 HG LEU 38 HG LEU 38 3.576 -3.499 7.181 302 HD11 LEU 38 1HD1 LEU 38 5.890 -1.648 7.740 303 HD12 LEU 38 2HD1 LEU 38 4.717 -2.252 8.913 304 HD13 LEU 38 3HD1 LEU 38 4.195 -1.167 7.625 305 HD21 LEU 38 3HD2 LEU 38 5.679 -2.469 5.269 306 HD22 LEU 38 1HD2 LEU 38 3.988 -1.961 5.312 307 HD23 LEU 38 2HD2 LEU 38 4.399 -3.623 4.892 308 H GLN 39 H GLN 39 5.496 -7.090 8.581 309 HA GLN 39 HA GLN 39 8.133 -8.094 8.237 310 HB2 GLN 39 2HB GLN 39 5.830 -9.041 9.955 311 HB3 GLN 39 1HB GLN 39 7.417 -9.799 9.984 312 HG2 GLN 39 2HG GLN 39 8.397 -7.607 10.621 313 HG3 GLN 39 1HG GLN 39 6.766 -6.945 10.709 314 HE21 GLN 39 1HE2 GLN 39 5.433 -7.537 12.419 315 HE22 GLN 39 2HE2 GLN 39 6.030 -8.345 13.820 316 H ALA 40 H ALA 40 4.949 -9.334 7.316 317 HA ALA 40 HA ALA 40 5.728 -11.862 6.369 318 HB1 ALA 40 3HB ALA 40 3.672 -11.806 5.026 319 HB2 ALA 40 1HB ALA 40 3.507 -10.081 5.357 320 HB3 ALA 40 2HB ALA 40 3.391 -11.246 6.674 321 H LEU 41 H LEU 41 5.866 -8.686 4.841 322 HA LEU 41 HA LEU 41 6.711 -9.621 2.267 323 HB2 LEU 41 2HB LEU 41 6.995 -6.912 3.573 324 HB3 LEU 41 1HB LEU 41 7.346 -7.247 1.888 325 HG LEU 41 HG LEU 41 4.623 -7.524 3.174 326 HD11 LEU 41 1HD1 LEU 41 4.056 -5.511 1.876 327 HD12 LEU 41 2HD1 LEU 41 5.742 -5.366 1.379 328 HD13 LEU 41 3HD1 LEU 41 5.305 -5.194 3.080 329 HD21 LEU 41 3HD2 LEU 41 5.510 -7.743 0.293 330 HD22 LEU 41 1HD2 LEU 41 3.836 -7.740 0.847 331 HD23 LEU 41 2HD2 LEU 41 4.914 -9.055 1.311 332 H GLY 42 H GLY 42 8.343 -8.905 5.259 333 HA2 GLY 42 2HA GLY 42 10.573 -9.375 5.811 334 HA3 GLY 42 1HA GLY 42 10.926 -9.625 4.107 335 H VAL 43 H VAL 43 9.322 -6.793 5.461 336 HA VAL 43 HA VAL 43 11.181 -5.006 4.193 337 HB VAL 43 HB VAL 43 8.978 -4.371 6.177 338 HG11 VAL 43 1HG1 VAL 43 9.080 -2.095 5.230 339 HG12 VAL 43 2HG1 VAL 43 10.466 -2.576 4.250 340 HG13 VAL 43 3HG1 VAL 43 10.595 -2.559 6.010 341 HG21 VAL 43 3HG2 VAL 43 8.087 -5.505 4.206 342 HG22 VAL 43 1HG2 VAL 43 8.924 -4.366 3.152 343 HG23 VAL 43 2HG2 VAL 43 7.621 -3.803 4.201 344 H ALA 44 H ALA 44 12.993 -4.141 5.028 345 HA ALA 44 HA ALA 44 13.986 -4.917 7.563 346 HB1 ALA 44 3HB ALA 44 15.865 -3.440 7.086 347 HB2 ALA 44 1HB ALA 44 14.964 -2.692 5.765 348 HB3 ALA 44 2HB ALA 44 15.444 -4.386 5.658 349 H GLU 45 H GLU 45 14.300 -3.737 9.459 350 HA GLU 45 HA GLU 45 12.205 -2.058 10.267 351 HB2 GLU 45 2HB GLU 45 14.933 -2.480 11.518 352 HB3 GLU 45 1HB GLU 45 13.581 -1.682 12.313 353 HG2 GLU 45 2HG GLU 45 12.277 -3.715 12.243 354 HG3 GLU 45 1HG GLU 45 13.539 -4.528 11.319 355 H GLY 46 H GLY 46 11.840 0.046 9.952 356 HA2 GLY 46 2HA GLY 46 12.446 2.346 9.865 357 HA3 GLY 46 1HA GLY 46 14.096 1.883 9.481 358 H GLY 47 H GLY 47 12.728 -0.096 7.484 359 HA2 GLY 47 2HA GLY 47 13.113 1.390 5.130 360 HA3 GLY 47 1HA GLY 47 12.277 -0.150 5.231 361 H GLU 48 H GLU 48 10.377 1.251 7.202 362 HA GLU 48 HA GLU 48 8.227 1.864 5.569 363 HB2 GLU 48 2HB GLU 48 8.093 1.420 7.995 364 HB3 GLU 48 1HB GLU 48 8.852 2.971 8.322 365 HG2 GLU 48 2HG GLU 48 6.479 3.121 8.697 366 HG3 GLU 48 1HG GLU 48 6.923 4.115 7.310 367 H ARG 49 H ARG 49 10.988 3.806 6.290 368 HA ARG 49 HA ARG 49 9.958 6.391 5.857 369 HB2 ARG 49 2HB ARG 49 12.267 7.079 5.582 370 HB3 ARG 49 1HB ARG 49 12.138 5.927 6.904 371 HG2 ARG 49 2HG ARG 49 12.856 4.141 5.258 372 HG3 ARG 49 1HG ARG 49 13.239 5.453 4.140 373 HD2 ARG 49 2HD ARG 49 14.428 5.006 6.883 374 HD3 ARG 49 1HD ARG 49 15.232 4.760 5.334 375 HE ARG 49 HE ARG 49 14.661 7.325 5.133 376 HH11 ARG 49 1HH1 ARG 49 15.880 5.587 7.851 377 HH12 ARG 49 2HH1 ARG 49 16.706 6.963 8.492 378 HH21 ARG 49 1HH2 ARG 49 15.731 9.071 5.956 379 HH22 ARG 49 2HH2 ARG 49 16.612 8.922 7.437 380 H CYS 50 H CYS 50 10.333 3.859 3.616 381 HA CYS 50 HA CYS 50 9.502 5.566 1.453 382 HB2 CYS 50 2HB CYS 50 11.363 5.007 -0.083 383 HB3 CYS 50 1HB CYS 50 11.897 5.962 1.295 384 HG CYS 50 HG CYS 50 13.605 4.274 2.259 385 HA PRO 51 HA PRO 51 7.564 1.366 1.178 386 HB2 PRO 51 2HB PRO 51 5.557 2.377 -0.485 387 HB3 PRO 51 1HB PRO 51 5.451 2.211 1.269 388 HG2 PRO 51 2HG PRO 51 6.141 4.620 -0.368 389 HG3 PRO 51 1HG PRO 51 5.146 4.505 1.097 390 HD2 PRO 51 2HD PRO 51 7.646 5.430 1.216 391 HD3 PRO 51 1HD PRO 51 7.013 4.374 2.499 392 H GLN 52 H GLN 52 8.597 3.648 -1.265 393 HA GLN 52 HA GLN 52 8.297 2.180 -3.604 394 HB2 GLN 52 2HB GLN 52 9.094 4.587 -3.297 395 HB3 GLN 52 1HB GLN 52 10.688 3.929 -2.981 396 HG2 GLN 52 2HG GLN 52 9.199 3.353 -5.529 397 HG3 GLN 52 1HG GLN 52 10.187 4.794 -5.327 398 HE21 GLN 52 1HE2 GLN 52 12.440 4.555 -5.100 399 HE22 GLN 52 2HE2 GLN 52 13.246 3.120 -5.620 400 H SER 53 H SER 53 10.924 2.059 -1.208 401 HA SER 53 HA SER 53 12.605 0.262 -2.613 402 HB2 SER 53 2HB SER 53 12.420 0.904 0.340 403 HB3 SER 53 1HB SER 53 13.686 -0.101 -0.366 404 HG SER 53 HG SER 53 13.645 2.524 -0.167 405 H VAL 54 H VAL 54 9.662 -0.297 -0.978 406 HA VAL 54 HA VAL 54 10.242 -3.060 -0.280 407 HB VAL 54 HB VAL 54 7.586 -1.604 -0.216 408 HG11 VAL 54 1HG1 VAL 54 8.472 -4.181 1.096 409 HG12 VAL 54 2HG1 VAL 54 7.309 -4.020 -0.221 410 HG13 VAL 54 3HG1 VAL 54 6.928 -3.374 1.375 411 HG21 VAL 54 3HG2 VAL 54 8.000 -1.304 2.186 412 HG22 VAL 54 1HG2 VAL 54 9.221 -0.484 1.211 413 HG23 VAL 54 2HG2 VAL 54 9.603 -2.017 1.998 414 H GLY 55 H GLY 55 8.686 -1.298 -2.886 415 HA2 GLY 55 2HA GLY 55 8.292 -2.090 -5.050 416 HA3 GLY 55 1HA GLY 55 8.596 -3.727 -4.490 417 H TRP 56 H TRP 56 6.879 -4.953 -3.655 418 HA TRP 56 HA TRP 56 4.194 -3.859 -4.221 419 HB2 TRP 56 2HB TRP 56 5.225 -6.702 -4.283 420 HB3 TRP 56 1HB TRP 56 3.513 -6.303 -4.354 421 HD1 TRP 56 HD1 TRP 56 3.536 -3.932 -6.403 422 HE1 TRP 56 HE1 TRP 56 4.111 -4.356 -8.875 423 HE3 TRP 56 HE3 TRP 56 6.099 -8.325 -5.886 424 HZ2 TRP 56 HZ2 TRP 56 5.472 -6.304 -10.402 425 HZ3 TRP 56 HZ3 TRP 56 7.004 -9.407 -7.904 426 HH2 TRP 56 HH2 TRP 56 6.696 -8.417 -10.115 427 H MET 57 H MET 57 2.672 -3.793 -2.660 428 HA MET 57 HA MET 57 3.291 -4.926 -0.008 429 HB2 MET 57 2HB MET 57 2.298 -2.099 -0.483 430 HB3 MET 57 1HB MET 57 2.743 -2.816 1.060 431 HG2 MET 57 2HG MET 57 5.051 -2.898 0.441 432 HG3 MET 57 1HG MET 57 4.678 -2.423 -1.214 433 HE1 MET 57 3HE MET 57 3.199 -0.932 2.155 434 HE2 MET 57 1HE MET 57 4.347 0.374 2.440 435 HE3 MET 57 2HE MET 57 4.883 -1.306 2.518 436 HA PRO 58 HA PRO 58 -1.126 -5.834 -0.360 437 HB2 PRO 58 2HB PRO 58 -1.366 -7.452 1.761 438 HB3 PRO 58 1HB PRO 58 -0.458 -7.947 0.326 439 HG2 PRO 58 2HG PRO 58 0.550 -6.982 2.968 440 HG3 PRO 58 1HG PRO 58 1.218 -8.229 1.900 441 HD2 PRO 58 2HD PRO 58 2.099 -5.572 2.079 442 HD3 PRO 58 1HD PRO 58 2.481 -6.707 0.771 443 H GLY 59 H GLY 59 -2.597 -4.276 0.132 444 HA2 GLY 59 2HA GLY 59 -3.097 -3.639 2.946 445 HA3 GLY 59 1HA GLY 59 -2.623 -2.298 1.917 446 H LEU 60 H LEU 60 -4.891 -1.841 3.031 447 HA LEU 60 HA LEU 60 -7.072 -2.772 1.280 448 HB2 LEU 60 2HB LEU 60 -7.423 -3.104 3.671 449 HB3 LEU 60 1HB LEU 60 -7.129 -1.404 3.975 450 HG LEU 60 HG LEU 60 -9.175 -0.835 2.691 451 HD11 LEU 60 1HD1 LEU 60 -9.263 -2.779 1.225 452 HD12 LEU 60 2HD1 LEU 60 -10.772 -2.585 2.115 453 HD13 LEU 60 3HD1 LEU 60 -9.612 -3.822 2.605 454 HD21 LEU 60 3HD2 LEU 60 -9.275 -1.034 5.112 455 HD22 LEU 60 1HD2 LEU 60 -9.593 -2.765 4.979 456 HD23 LEU 60 2HD2 LEU 60 -10.777 -1.598 4.382 457 H ASN 61 H ASN 61 -7.815 -1.442 -0.266 458 HA ASN 61 HA ASN 61 -7.116 1.388 -0.274 459 HB2 ASN 61 2HB ASN 61 -6.920 0.167 -2.368 460 HB3 ASN 61 1HB ASN 61 -8.608 -0.334 -2.277 461 HD21 ASN 61 1HD2 ASN 61 -6.441 2.322 -2.873 462 HD22 ASN 61 2HD2 ASN 61 -7.612 3.359 -3.608 463 H GLU 62 H GLU 62 -8.683 3.102 -0.362 464 HA GLU 62 HA GLU 62 -11.042 2.488 1.240 465 HB2 GLU 62 2HB GLU 62 -9.604 5.061 0.606 466 HB3 GLU 62 1HB GLU 62 -11.161 5.041 1.422 467 HG2 GLU 62 2HG GLU 62 -8.675 3.651 2.415 468 HG3 GLU 62 1HG GLU 62 -9.256 5.218 2.979 469 H ARG 63 H ARG 63 -10.344 3.637 -2.021 470 HA ARG 63 HA ARG 63 -13.016 4.545 -2.564 471 HB2 ARG 63 2HB ARG 63 -10.978 5.262 -3.845 472 HB3 ARG 63 1HB ARG 63 -10.903 3.653 -4.545 473 HG2 ARG 63 2HG ARG 63 -11.970 4.825 -6.208 474 HG3 ARG 63 1HG ARG 63 -13.345 4.170 -5.323 475 HD2 ARG 63 2HD ARG 63 -12.206 6.938 -4.905 476 HD3 ARG 63 1HD ARG 63 -13.571 6.574 -5.958 477 HE ARG 63 HE ARG 63 -14.851 5.992 -4.028 478 HH11 ARG 63 1HH1 ARG 63 -11.764 7.335 -3.287 479 HH12 ARG 63 2HH1 ARG 63 -12.261 7.899 -1.734 480 HH21 ARG 63 1HH2 ARG 63 -15.475 6.703 -2.039 481 HH22 ARG 63 2HH2 ARG 63 -14.342 7.524 -1.018 482 H THR 64 H THR 64 -11.201 1.706 -3.704 483 HA THR 64 HA THR 64 -13.596 0.363 -4.618 484 HB THR 64 HB THR 64 -12.091 -1.451 -5.291 485 HG1 THR 64 HG1 THR 64 -9.699 -0.363 -4.776 486 HG21 THR 64 3HG2 THR 64 -10.982 1.286 -5.969 487 HG22 THR 64 1HG2 THR 64 -12.306 0.467 -6.802 488 HG23 THR 64 2HG2 THR 64 -10.674 -0.198 -6.871 489 H ARG 65 H ARG 65 -11.715 0.443 -1.729 490 HA ARG 65 HA ARG 65 -11.735 -0.708 0.220 491 HB2 ARG 65 2HB ARG 65 -14.557 -1.063 -0.738 492 HB3 ARG 65 1HB ARG 65 -14.032 -1.809 0.767 493 HG2 ARG 65 2HG ARG 65 -13.707 1.133 0.197 494 HG3 ARG 65 1HG ARG 65 -15.133 0.451 0.984 495 HD2 ARG 65 2HD ARG 65 -13.930 -0.200 2.878 496 HD3 ARG 65 1HD ARG 65 -12.382 -0.135 2.042 497 HE ARG 65 HE ARG 65 -12.199 2.003 2.745 498 HH11 ARG 65 1HH1 ARG 65 -15.577 1.279 2.635 499 HH12 ARG 65 2HH1 ARG 65 -16.031 2.816 3.272 500 HH21 ARG 65 1HH2 ARG 65 -12.806 3.950 3.604 501 HH22 ARG 65 2HH2 ARG 65 -14.487 4.318 3.797 502 H GLN 66 H GLN 66 -10.779 -2.074 -2.163 503 HA GLN 66 HA GLN 66 -11.193 -4.891 -1.434 504 HB2 GLN 66 2HB GLN 66 -9.573 -3.685 -3.697 505 HB3 GLN 66 1HB GLN 66 -9.884 -5.398 -3.453 506 HG2 GLN 66 2HG GLN 66 -12.270 -5.023 -3.817 507 HG3 GLN 66 1HG GLN 66 -11.969 -3.302 -4.045 508 HE21 GLN 66 1HE2 GLN 66 -11.645 -6.468 -5.429 509 HE22 GLN 66 2HE2 GLN 66 -11.251 -5.947 -7.025 510 H ARG 67 H ARG 67 -9.662 -6.047 -0.324 511 HA ARG 67 HA ARG 67 -7.144 -4.698 0.360 512 HB2 ARG 67 2HB ARG 67 -6.877 -6.387 2.095 513 HB3 ARG 67 1HB ARG 67 -8.462 -5.640 2.224 514 HG2 ARG 67 2HG ARG 67 -9.479 -7.588 1.153 515 HG3 ARG 67 1HG ARG 67 -7.889 -8.336 0.988 516 HD2 ARG 67 2HD ARG 67 -7.689 -8.167 3.512 517 HD3 ARG 67 1HD ARG 67 -9.394 -7.719 3.532 518 HE ARG 67 HE ARG 67 -8.771 -10.191 2.158 519 HH11 ARG 67 1HH1 ARG 67 -9.766 -8.739 5.129 520 HH12 ARG 67 2HH1 ARG 67 -10.398 -10.223 5.751 521 HH21 ARG 67 1HH2 ARG 67 -9.591 -12.070 2.987 522 HH22 ARG 67 2HH2 ARG 67 -10.300 -12.071 4.565 523 H GLY 68 H GLY 68 -5.319 -5.187 -0.728 524 HA2 GLY 68 2HA GLY 68 -4.680 -7.837 -1.609 525 HA3 GLY 68 1HA GLY 68 -5.232 -6.841 -2.945 526 H ASP 69 H ASP 69 -2.969 -7.500 -3.618 527 HA ASP 69 HA ASP 69 -0.806 -6.035 -2.329 528 HB2 ASP 69 2HB ASP 69 -0.527 -8.397 -3.036 529 HB3 ASP 69 1HB ASP 69 -0.766 -7.909 -4.709 530 H PHE 70 H PHE 70 0.112 -4.193 -3.111 531 HA PHE 70 HA PHE 70 -0.521 -3.304 -5.841 532 HB2 PHE 70 2HB PHE 70 -1.086 -1.048 -5.053 533 HB3 PHE 70 1HB PHE 70 -2.175 -2.243 -4.357 534 HD1 PHE 70 HD2 PHE 70 0.601 0.080 -3.654 535 HD2 PHE 70 HD1 PHE 70 -2.196 -2.666 -1.976 536 HE1 PHE 70 HE2 PHE 70 1.123 0.922 -1.403 537 HE2 PHE 70 HE1 PHE 70 -1.677 -1.818 0.273 538 HZ PHE 70 HZ PHE 70 -0.014 -0.027 0.562 539 HA PRO 71 HA PRO 71 3.766 -1.992 -5.841 540 HB2 PRO 71 2HB PRO 71 3.651 -0.022 -7.734 541 HB3 PRO 71 1HB PRO 71 3.636 -1.746 -8.120 542 HG2 PRO 71 2HG PRO 71 1.343 0.175 -7.940 543 HG3 PRO 71 1HG PRO 71 1.649 -1.093 -9.142 544 HD2 PRO 71 2HD PRO 71 -0.099 -1.408 -7.093 545 HD3 PRO 71 1HD PRO 71 0.831 -2.762 -7.768 546 H GLY 72 H GLY 72 4.422 -0.953 -4.041 547 HA2 GLY 72 2HA GLY 72 3.077 1.176 -2.796 548 HA3 GLY 72 1HA GLY 72 4.697 0.634 -2.409 549 H THR 73 H THR 73 5.168 1.364 -5.489 550 HA THR 73 HA THR 73 6.374 3.892 -4.912 551 HB THR 73 HB THR 73 7.363 2.326 -6.546 552 HG1 THR 73 HG1 THR 73 6.626 4.862 -7.649 553 HG21 THR 73 3HG2 THR 73 5.036 3.098 -8.318 554 HG22 THR 73 1HG2 THR 73 5.304 1.506 -7.604 555 HG23 THR 73 2HG2 THR 73 6.431 2.139 -8.806 556 H TYR 74 H TYR 74 3.192 3.118 -5.702 557 HA TYR 74 HA TYR 74 2.642 5.661 -7.057 558 HB2 TYR 74 2HB TYR 74 0.902 3.268 -6.434 559 HB3 TYR 74 1HB TYR 74 0.263 4.760 -7.112 560 HD1 TYR 74 HD1 TYR 74 2.840 2.139 -7.769 561 HD2 TYR 74 HD2 TYR 74 0.169 5.008 -9.431 562 HE1 TYR 74 HE1 TYR 74 3.355 1.307 -10.022 563 HE2 TYR 74 HE2 TYR 74 0.682 4.183 -11.689 564 HH TYR 74 HH TYR 74 2.349 1.256 -12.241 565 H VAL 75 H VAL 75 3.001 4.747 -3.904 566 HA VAL 75 HA VAL 75 0.942 6.648 -2.965 567 HB VAL 75 HB VAL 75 0.509 5.294 -1.004 568 HG11 VAL 75 1HG1 VAL 75 0.332 3.626 -3.519 569 HG12 VAL 75 2HG1 VAL 75 -0.838 4.833 -2.986 570 HG13 VAL 75 3HG1 VAL 75 -0.594 3.368 -2.039 571 HG21 VAL 75 3HG2 VAL 75 2.716 4.300 -0.692 572 HG22 VAL 75 1HG2 VAL 75 2.498 3.318 -2.141 573 HG23 VAL 75 2HG2 VAL 75 1.477 3.047 -0.729 574 H GLU 76 H GLU 76 1.447 7.938 -1.180 575 HA GLU 76 HA GLU 76 4.268 7.920 -0.314 576 HB2 GLU 76 2HB GLU 76 3.967 10.200 0.405 577 HB3 GLU 76 1HB GLU 76 3.355 10.056 -1.236 578 HG2 GLU 76 2HG GLU 76 1.089 10.086 -0.474 579 HG3 GLU 76 1HG GLU 76 1.594 9.967 1.210 580 H PHE 77 H PHE 77 4.708 8.310 2.005 581 HA PHE 77 HA PHE 77 2.898 6.700 3.630 582 HB2 PHE 77 2HB PHE 77 5.259 6.145 3.729 583 HB3 PHE 77 1HB PHE 77 5.663 7.793 4.201 584 HD1 PHE 77 HD2 PHE 77 3.257 5.167 5.368 585 HD2 PHE 77 HD1 PHE 77 6.266 8.000 6.411 586 HE1 PHE 77 HE2 PHE 77 3.027 4.539 7.734 587 HE2 PHE 77 HE1 PHE 77 6.037 7.374 8.779 588 HZ PHE 77 HZ PHE 77 4.419 5.642 9.442 589 H LEU 78 H LEU 78 1.504 7.499 5.077 590 HA LEU 78 HA LEU 78 1.623 10.358 5.767 591 HB2 LEU 78 2HB LEU 78 -0.585 8.336 6.221 592 HB3 LEU 78 1HB LEU 78 -0.682 10.048 6.589 593 HG LEU 78 HG LEU 78 -0.387 8.859 3.823 594 HD11 LEU 78 1HD1 LEU 78 -2.756 10.168 5.161 595 HD12 LEU 78 2HD1 LEU 78 -2.590 8.454 4.768 596 HD13 LEU 78 3HD1 LEU 78 -2.674 9.651 3.475 597 HD21 LEU 78 3HD2 LEU 78 -0.757 11.145 3.021 598 HD22 LEU 78 1HD2 LEU 78 0.716 11.024 3.984 599 HD23 LEU 78 2HD2 LEU 78 -0.740 11.734 4.685 600 H GLY 79 H GLY 79 0.697 7.381 7.531 601 HA2 GLY 79 2HA GLY 79 2.601 7.423 9.531 602 HA3 GLY 79 1HA GLY 79 1.336 8.507 10.087 603 HA PRO 80 HA PRO 80 0.199 3.993 11.028 604 HB2 PRO 80 2HB PRO 80 0.814 3.840 13.648 605 HB3 PRO 80 1HB PRO 80 2.017 3.530 12.388 606 HG2 PRO 80 2HG PRO 80 1.564 6.023 13.999 607 HG3 PRO 80 1HG PRO 80 3.093 5.218 13.598 608 HD2 PRO 80 2HD PRO 80 2.149 7.396 12.244 609 HD3 PRO 80 1HD PRO 80 3.179 6.158 11.494 610 H LEU 81 H LEU 81 -1.626 3.300 12.325 611 HA LEU 81 HA LEU 81 -3.341 5.529 13.150 612 HB2 LEU 81 2HB LEU 81 -5.055 3.514 13.287 613 HB3 LEU 81 1HB LEU 81 -4.663 4.305 11.776 614 HG LEU 81 HG LEU 81 -2.937 2.435 11.424 615 HD11 LEU 81 1HD1 LEU 81 -3.410 0.311 12.541 616 HD12 LEU 81 2HD1 LEU 81 -4.578 1.120 13.585 617 HD13 LEU 81 3HD1 LEU 81 -2.869 1.545 13.677 618 HD21 LEU 81 3HD2 LEU 81 -5.883 1.780 11.411 619 HD22 LEU 81 1HD2 LEU 81 -4.632 0.913 10.517 620 HD23 LEU 81 2HD2 LEU 81 -4.982 2.598 10.134 621 H GLU 82 H GLU 82 -2.887 6.123 15.152 622 HA GLU 82 HA GLU 82 -2.230 4.169 17.222 623 HB2 GLU 82 2HB GLU 82 -0.790 6.137 16.902 624 HB3 GLU 82 1HB GLU 82 -2.148 7.199 17.240 625 HG2 GLU 82 2HG GLU 82 -0.711 7.059 19.167 626 HG3 GLU 82 1HG GLU 82 -2.262 6.308 19.528 Start of MODEL 3 1 H1 MET 1 1H MET 1 -3.688 0.292 24.380 2 H2 MET 1 2H MET 1 -3.404 1.960 24.392 3 H3 MET 1 3H MET 1 -3.011 1.024 25.743 4 HA MET 1 HA MET 1 -1.042 1.631 24.474 5 HB2 MET 1 2HB MET 1 -0.081 -0.631 24.314 6 HB3 MET 1 1HB MET 1 -1.030 -0.436 25.780 7 HG2 MET 1 2HG MET 1 -2.889 -1.638 24.742 8 HG3 MET 1 1HG MET 1 -1.940 -1.833 23.268 9 HE1 MET 1 3HE MET 1 -2.373 -4.460 23.343 10 HE2 MET 1 1HE MET 1 -3.321 -4.266 24.818 11 HE3 MET 1 2HE MET 1 -2.030 -5.466 24.748 12 H ALA 2 H ALA 2 -0.019 1.898 22.525 13 HA ALA 2 HA ALA 2 -0.957 0.508 20.148 14 HB1 ALA 2 3HB ALA 2 -1.122 3.519 20.333 15 HB2 ALA 2 1HB ALA 2 -2.488 2.405 20.264 16 HB3 ALA 2 2HB ALA 2 -1.405 2.557 18.880 17 H GLY 3 H GLY 3 0.698 0.082 18.822 18 HA2 GLY 3 2HA GLY 3 3.110 1.785 18.946 19 HA3 GLY 3 1HA GLY 3 3.234 0.038 19.043 20 HA PRO 4 HA PRO 4 3.483 0.478 14.563 21 HB2 PRO 4 2HB PRO 4 5.036 -1.616 14.136 22 HB3 PRO 4 1HB PRO 4 5.621 -0.275 15.130 23 HG2 PRO 4 2HG PRO 4 4.685 -2.980 15.964 24 HG3 PRO 4 1HG PRO 4 5.918 -1.941 16.699 25 HD2 PRO 4 2HD PRO 4 3.155 -2.199 17.458 26 HD3 PRO 4 1HD PRO 4 4.379 -1.118 18.159 27 H GLU 5 H GLU 5 0.979 -0.850 15.595 28 HA GLU 5 HA GLU 5 0.590 -3.394 14.485 29 HB2 GLU 5 2HB GLU 5 -1.392 -1.197 15.080 30 HB3 GLU 5 1HB GLU 5 -1.881 -2.783 14.504 31 HG2 GLU 5 2HG GLU 5 -2.111 -2.636 16.905 32 HG3 GLU 5 1HG GLU 5 -0.878 -3.820 16.474 33 H GLY 6 H GLY 6 0.402 -0.246 12.910 34 HA2 GLY 6 2HA GLY 6 0.510 -1.412 10.313 35 HA3 GLY 6 1HA GLY 6 -1.128 -0.889 10.666 36 H PHE 7 H PHE 7 0.130 0.200 8.531 37 HA PHE 7 HA PHE 7 0.656 2.964 9.416 38 HB2 PHE 7 2HB PHE 7 2.163 1.518 7.221 39 HB3 PHE 7 1HB PHE 7 2.382 3.203 7.682 40 HD1 PHE 7 HD1 PHE 7 3.200 3.709 10.039 41 HD2 PHE 7 HD2 PHE 7 3.358 -0.183 8.312 42 HE1 PHE 7 HE1 PHE 7 4.883 3.040 11.702 43 HE2 PHE 7 HE2 PHE 7 5.043 -0.852 9.974 44 HZ PHE 7 HZ PHE 7 5.806 0.758 11.673 45 H GLN 8 H GLN 8 0.242 4.605 7.776 46 HA GLN 8 HA GLN 8 -1.876 3.777 5.886 47 HB2 GLN 8 2HB GLN 8 -1.555 6.405 7.360 48 HB3 GLN 8 1HB GLN 8 -2.822 6.048 6.193 49 HG2 GLN 8 2HG GLN 8 -3.658 4.266 7.647 50 HG3 GLN 8 1HG GLN 8 -2.389 4.627 8.816 51 HE21 GLN 8 1HE2 GLN 8 -5.289 4.709 9.129 52 HE22 GLN 8 2HE2 GLN 8 -5.663 6.311 9.646 53 H TYR 9 H TYR 9 -1.615 4.215 3.789 54 HA TYR 9 HA TYR 9 0.474 6.146 2.957 55 HB2 TYR 9 2HB TYR 9 -0.323 3.607 1.497 56 HB3 TYR 9 1HB TYR 9 0.963 4.719 1.041 57 HD1 TYR 9 HD1 TYR 9 -0.038 2.061 3.366 58 HD2 TYR 9 HD2 TYR 9 3.105 4.693 2.211 59 HE1 TYR 9 HE1 TYR 9 1.554 0.739 4.691 60 HE2 TYR 9 HE2 TYR 9 4.701 3.375 3.536 61 HH TYR 9 HH TYR 9 3.984 0.303 4.752 62 H ARG 10 H ARG 10 -0.024 7.479 1.156 63 HA ARG 10 HA ARG 10 -2.865 7.471 0.367 64 HB2 ARG 10 2HB ARG 10 -2.023 9.564 1.377 65 HB3 ARG 10 1HB ARG 10 -0.829 9.698 0.091 66 HG2 ARG 10 2HG ARG 10 -2.629 9.898 -1.561 67 HG3 ARG 10 1HG ARG 10 -3.828 9.753 -0.276 68 HD2 ARG 10 2HD ARG 10 -3.549 12.085 -0.871 69 HD3 ARG 10 1HD ARG 10 -2.936 11.810 0.758 70 HE ARG 10 HE ARG 10 -0.674 11.817 -0.251 71 HH11 ARG 10 1HH1 ARG 10 -3.267 13.342 -1.940 72 HH12 ARG 10 2HH1 ARG 10 -2.217 14.425 -2.778 73 HH21 ARG 10 1HH2 ARG 10 0.652 13.211 -1.347 74 HH22 ARG 10 2HH2 ARG 10 -0.038 14.353 -2.453 75 H ALA 11 H ALA 11 -3.432 6.871 -1.629 76 HA ALA 11 HA ALA 11 -1.489 6.144 -3.605 77 HB1 ALA 11 3HB ALA 11 -3.578 4.904 -3.378 78 HB2 ALA 11 1HB ALA 11 -3.427 5.580 -5.001 79 HB3 ALA 11 2HB ALA 11 -4.495 6.344 -3.823 80 H LEU 12 H LEU 12 -0.465 7.554 -4.851 81 HA LEU 12 HA LEU 12 -1.259 10.266 -5.173 82 HB2 LEU 12 2HB LEU 12 0.838 8.678 -6.662 83 HB3 LEU 12 1HB LEU 12 0.683 10.427 -6.683 84 HG LEU 12 HG LEU 12 1.361 8.743 -4.260 85 HD11 LEU 12 1HD1 LEU 12 3.562 9.776 -4.416 86 HD12 LEU 12 2HD1 LEU 12 3.072 10.633 -5.877 87 HD13 LEU 12 3HD1 LEU 12 3.188 8.872 -5.884 88 HD21 LEU 12 3HD2 LEU 12 1.159 11.742 -4.567 89 HD22 LEU 12 1HD2 LEU 12 1.746 10.889 -3.138 90 HD23 LEU 12 2HD2 LEU 12 0.066 10.714 -3.641 91 H TYR 13 H TYR 13 -0.890 7.691 -7.636 92 HA TYR 13 HA TYR 13 -2.942 9.055 -9.264 93 HB2 TYR 13 2HB TYR 13 -0.413 7.781 -10.358 94 HB3 TYR 13 1HB TYR 13 -1.645 8.636 -11.281 95 HD1 TYR 13 HD1 TYR 13 -1.974 11.121 -10.846 96 HD2 TYR 13 HD2 TYR 13 1.382 8.960 -9.359 97 HE1 TYR 13 HE1 TYR 13 -0.775 13.239 -10.485 98 HE2 TYR 13 HE2 TYR 13 2.589 11.069 -8.999 99 HH TYR 13 HH TYR 13 2.589 13.343 -9.742 100 HA PRO 14 HA PRO 14 -4.869 5.098 -9.446 101 HB2 PRO 14 2HB PRO 14 -6.251 5.274 -11.791 102 HB3 PRO 14 1HB PRO 14 -6.728 6.127 -10.316 103 HG2 PRO 14 2HG PRO 14 -5.233 7.148 -12.707 104 HG3 PRO 14 1HG PRO 14 -6.518 7.935 -11.771 105 HD2 PRO 14 2HD PRO 14 -3.883 8.532 -11.451 106 HD3 PRO 14 1HD PRO 14 -5.061 8.641 -10.127 107 H PHE 15 H PHE 15 -3.792 3.266 -9.802 108 HA PHE 15 HA PHE 15 -2.558 2.789 -12.442 109 HB2 PHE 15 2HB PHE 15 -0.939 2.811 -10.588 110 HB3 PHE 15 1HB PHE 15 -1.862 1.568 -9.753 111 HD1 PHE 15 HD1 PHE 15 0.313 2.263 -12.648 112 HD2 PHE 15 HD2 PHE 15 -1.685 -0.744 -10.377 113 HE1 PHE 15 HE1 PHE 15 1.615 0.524 -13.800 114 HE2 PHE 15 HE2 PHE 15 -0.378 -2.482 -11.526 115 HZ PHE 15 HZ PHE 15 1.275 -1.849 -13.240 116 H ARG 16 H ARG 16 -3.817 1.540 -13.667 117 HA ARG 16 HA ARG 16 -5.890 -0.099 -12.591 118 HB2 ARG 16 2HB ARG 16 -6.223 -0.800 -14.982 119 HB3 ARG 16 1HB ARG 16 -6.310 0.931 -14.696 120 HG2 ARG 16 2HG ARG 16 -4.187 1.305 -15.670 121 HG3 ARG 16 1HG ARG 16 -3.799 -0.416 -15.669 122 HD2 ARG 16 2HD ARG 16 -4.454 0.582 -17.906 123 HD3 ARG 16 1HD ARG 16 -5.329 -0.865 -17.415 124 HE ARG 16 HE ARG 16 -7.223 0.514 -16.902 125 HH11 ARG 16 1HH1 ARG 16 -4.711 2.110 -18.645 126 HH12 ARG 16 2HH1 ARG 16 -5.766 3.340 -19.241 127 HH21 ARG 16 1HH2 ARG 16 -8.553 2.084 -17.669 128 HH22 ARG 16 2HH2 ARG 16 -7.923 3.327 -18.694 129 H ARG 17 H ARG 17 -5.942 -2.221 -12.172 130 HA ARG 17 HA ARG 17 -3.558 -3.841 -12.617 131 HB2 ARG 17 2HB ARG 17 -6.133 -4.336 -11.118 132 HB3 ARG 17 1HB ARG 17 -4.938 -5.601 -11.379 133 HG2 ARG 17 2HG ARG 17 -4.479 -3.008 -9.908 134 HG3 ARG 17 1HG ARG 17 -4.695 -4.601 -9.178 135 HD2 ARG 17 2HD ARG 17 -2.675 -5.345 -10.521 136 HD3 ARG 17 1HD ARG 17 -2.408 -3.642 -10.895 137 HE ARG 17 HE ARG 17 -2.603 -3.716 -8.176 138 HH11 ARG 17 1HH1 ARG 17 -0.624 -5.311 -10.511 139 HH12 ARG 17 2HH1 ARG 17 0.695 -5.516 -9.413 140 HH21 ARG 17 1HH2 ARG 17 -0.890 -4.012 -6.779 141 HH22 ARG 17 2HH2 ARG 17 0.552 -4.782 -7.347 142 H GLU 18 H GLU 18 -3.991 -6.171 -13.339 143 HA GLU 18 HA GLU 18 -5.365 -6.054 -15.894 144 HB2 GLU 18 2HB GLU 18 -3.831 -8.342 -14.631 145 HB3 GLU 18 1HB GLU 18 -4.349 -8.236 -16.309 146 HG2 GLU 18 2HG GLU 18 -2.345 -6.446 -14.943 147 HG3 GLU 18 1HG GLU 18 -1.981 -7.729 -16.093 148 H ARG 19 H ARG 19 -5.505 -8.110 -12.968 149 HA ARG 19 HA ARG 19 -8.368 -8.578 -13.523 150 HB2 ARG 19 2HB ARG 19 -6.546 -10.688 -12.350 151 HB3 ARG 19 1HB ARG 19 -8.219 -10.878 -12.845 152 HG2 ARG 19 2HG ARG 19 -7.219 -11.852 -14.634 153 HG3 ARG 19 1HG ARG 19 -7.199 -10.181 -15.209 154 HD2 ARG 19 2HD ARG 19 -5.026 -11.297 -15.519 155 HD3 ARG 19 1HD ARG 19 -4.911 -9.913 -14.429 156 HE ARG 19 HE ARG 19 -5.350 -12.278 -12.943 157 HH11 ARG 19 1HH1 ARG 19 -2.882 -10.701 -14.763 158 HH12 ARG 19 2HH1 ARG 19 -1.603 -11.407 -13.840 159 HH21 ARG 19 1HH2 ARG 19 -3.705 -13.206 -11.794 160 HH22 ARG 19 2HH2 ARG 19 -2.065 -12.808 -12.174 161 HA PRO 20 HA PRO 20 -9.178 -7.367 -9.354 162 HB2 PRO 20 2HB PRO 20 -11.079 -9.130 -8.499 163 HB3 PRO 20 1HB PRO 20 -11.396 -7.846 -9.671 164 HG2 PRO 20 2HG PRO 20 -10.811 -10.749 -10.160 165 HG3 PRO 20 1HG PRO 20 -12.061 -9.723 -10.892 166 HD2 PRO 20 2HD PRO 20 -9.768 -10.284 -12.178 167 HD3 PRO 20 1HD PRO 20 -10.556 -8.702 -12.335 168 H GLU 21 H GLU 21 -7.457 -10.195 -9.827 169 HA GLU 21 HA GLU 21 -7.348 -11.248 -7.201 170 HB2 GLU 21 2HB GLU 21 -5.304 -11.286 -9.430 171 HB3 GLU 21 1HB GLU 21 -5.063 -12.110 -7.897 172 HG2 GLU 21 2HG GLU 21 -5.826 -13.803 -9.260 173 HG3 GLU 21 1HG GLU 21 -7.296 -13.293 -8.434 174 H ASP 22 H ASP 22 -5.730 -8.528 -8.721 175 HA ASP 22 HA ASP 22 -4.172 -8.017 -6.270 176 HB2 ASP 22 2HB ASP 22 -3.907 -6.762 -9.015 177 HB3 ASP 22 1HB ASP 22 -2.837 -6.486 -7.642 178 H LEU 23 H LEU 23 -3.813 -5.390 -6.143 179 HA LEU 23 HA LEU 23 -6.531 -4.372 -5.665 180 HB2 LEU 23 2HB LEU 23 -4.901 -4.510 -3.779 181 HB3 LEU 23 1HB LEU 23 -3.904 -3.328 -4.603 182 HG LEU 23 HG LEU 23 -5.729 -1.669 -4.416 183 HD11 LEU 23 1HD1 LEU 23 -7.658 -2.156 -2.969 184 HD12 LEU 23 2HD1 LEU 23 -7.137 -3.836 -2.851 185 HD13 LEU 23 3HD1 LEU 23 -7.637 -3.174 -4.407 186 HD21 LEU 23 3HD2 LEU 23 -4.935 -2.948 -1.795 187 HD22 LEU 23 1HD2 LEU 23 -5.555 -1.309 -1.997 188 HD23 LEU 23 2HD2 LEU 23 -3.999 -1.755 -2.696 189 H GLU 24 H GLU 24 -7.336 -2.645 -6.690 190 HA GLU 24 HA GLU 24 -5.702 -1.321 -8.739 191 HB2 GLU 24 2HB GLU 24 -8.135 -2.420 -8.947 192 HB3 GLU 24 1HB GLU 24 -8.640 -0.822 -8.428 193 HG2 GLU 24 2HG GLU 24 -6.776 -1.161 -10.752 194 HG3 GLU 24 1HG GLU 24 -8.512 -1.374 -10.947 195 H LEU 25 H LEU 25 -5.522 1.004 -8.839 196 HA LEU 25 HA LEU 25 -5.719 2.152 -6.125 197 HB2 LEU 25 2HB LEU 25 -3.818 2.813 -8.371 198 HB3 LEU 25 1HB LEU 25 -3.868 3.654 -6.831 199 HG LEU 25 HG LEU 25 -3.136 0.752 -7.272 200 HD11 LEU 25 1HD1 LEU 25 -1.487 3.103 -6.339 201 HD12 LEU 25 2HD1 LEU 25 -1.384 2.321 -7.917 202 HD13 LEU 25 3HD1 LEU 25 -0.934 1.433 -6.461 203 HD21 LEU 25 3HD2 LEU 25 -3.304 2.306 -4.683 204 HD22 LEU 25 1HD2 LEU 25 -2.682 0.666 -4.868 205 HD23 LEU 25 2HD2 LEU 25 -4.382 1.002 -5.184 206 H LEU 26 H LEU 26 -6.766 3.979 -5.708 207 HA LEU 26 HA LEU 26 -7.820 5.591 -7.945 208 HB2 LEU 26 2HB LEU 26 -8.896 5.045 -5.183 209 HB3 LEU 26 1HB LEU 26 -9.421 6.448 -6.089 210 HG LEU 26 HG LEU 26 -11.025 4.621 -6.290 211 HD11 LEU 26 1HD1 LEU 26 -11.177 4.529 -8.744 212 HD12 LEU 26 2HD1 LEU 26 -9.550 5.201 -8.859 213 HD13 LEU 26 3HD1 LEU 26 -10.852 6.155 -8.148 214 HD21 LEU 26 3HD2 LEU 26 -10.479 2.550 -7.436 215 HD22 LEU 26 1HD2 LEU 26 -9.472 2.741 -6.003 216 HD23 LEU 26 2HD2 LEU 26 -8.798 3.059 -7.603 217 HA PRO 27 HA PRO 27 -5.074 8.793 -6.640 218 HB2 PRO 27 2HB PRO 27 -6.236 10.954 -7.801 219 HB3 PRO 27 1HB PRO 27 -5.402 9.704 -8.730 220 HG2 PRO 27 2HG PRO 27 -8.341 10.051 -8.243 221 HG3 PRO 27 1HG PRO 27 -7.499 9.657 -9.753 222 HD2 PRO 27 2HD PRO 27 -8.722 7.775 -8.225 223 HD3 PRO 27 1HD PRO 27 -7.274 7.427 -9.192 224 H GLY 28 H GLY 28 -4.872 9.693 -4.685 225 HA2 GLY 28 2HA GLY 28 -5.324 11.366 -3.081 226 HA3 GLY 28 1HA GLY 28 -6.978 11.450 -3.654 227 H ASP 29 H ASP 29 -6.733 8.290 -3.407 228 HA ASP 29 HA ASP 29 -8.131 8.258 -0.889 229 HB2 ASP 29 2HB ASP 29 -8.904 6.899 -2.787 230 HB3 ASP 29 1HB ASP 29 -7.398 5.983 -2.748 231 H VAL 30 H VAL 30 -7.657 6.671 0.824 232 HA VAL 30 HA VAL 30 -4.753 6.484 1.333 233 HB VAL 30 HB VAL 30 -7.015 6.527 3.350 234 HG11 VAL 30 1HG1 VAL 30 -5.097 5.253 4.156 235 HG12 VAL 30 2HG1 VAL 30 -5.230 6.779 5.028 236 HG13 VAL 30 3HG1 VAL 30 -4.019 6.594 3.760 237 HG21 VAL 30 3HG2 VAL 30 -6.198 8.779 3.920 238 HG22 VAL 30 1HG2 VAL 30 -6.764 8.689 2.251 239 HG23 VAL 30 2HG2 VAL 30 -5.035 8.686 2.597 240 H LEU 31 H LEU 31 -3.846 4.542 1.651 241 HA LEU 31 HA LEU 31 -5.574 2.168 1.857 242 HB2 LEU 31 2HB LEU 31 -2.713 2.414 0.891 243 HB3 LEU 31 1HB LEU 31 -3.579 0.899 1.061 244 HG LEU 31 HG LEU 31 -5.249 1.797 -0.635 245 HD11 LEU 31 1HD1 LEU 31 -3.088 3.861 -1.062 246 HD12 LEU 31 2HD1 LEU 31 -4.723 4.164 -0.474 247 HD13 LEU 31 3HD1 LEU 31 -4.474 3.586 -2.120 248 HD21 LEU 31 3HD2 LEU 31 -3.827 1.246 -2.545 249 HD22 LEU 31 1HD2 LEU 31 -3.566 0.129 -1.206 250 HD23 LEU 31 2HD2 LEU 31 -2.392 1.405 -1.530 251 H VAL 32 H VAL 32 -5.633 1.150 3.761 252 HA VAL 32 HA VAL 32 -3.619 1.755 5.806 253 HB VAL 32 HB VAL 32 -6.217 0.213 6.057 254 HG11 VAL 32 1HG1 VAL 32 -4.605 -0.441 7.766 255 HG12 VAL 32 2HG1 VAL 32 -5.910 0.503 8.483 256 HG13 VAL 32 3HG1 VAL 32 -4.339 1.250 8.189 257 HG21 VAL 32 3HG2 VAL 32 -6.622 2.549 5.482 258 HG22 VAL 32 1HG2 VAL 32 -5.572 3.076 6.798 259 HG23 VAL 32 2HG2 VAL 32 -7.084 2.240 7.155 260 H VAL 33 H VAL 33 -1.911 0.443 6.010 261 HA VAL 33 HA VAL 33 -2.189 -2.393 5.224 262 HB VAL 33 HB VAL 33 0.329 -0.708 5.250 263 HG11 VAL 33 1HG1 VAL 33 0.817 -3.046 5.707 264 HG12 VAL 33 2HG1 VAL 33 1.347 -2.629 4.075 265 HG13 VAL 33 3HG1 VAL 33 -0.142 -3.545 4.313 266 HG21 VAL 33 3HG2 VAL 33 -1.173 -0.003 3.472 267 HG22 VAL 33 1HG2 VAL 33 -1.359 -1.674 2.935 268 HG23 VAL 33 2HG2 VAL 33 0.205 -0.871 2.791 269 H SER 34 H SER 34 -2.556 -3.512 7.076 270 HA SER 34 HA SER 34 -1.438 -3.009 9.610 271 HB2 SER 34 2HB SER 34 -2.312 -5.682 8.460 272 HB3 SER 34 1HB SER 34 -2.099 -5.310 10.172 273 HG SER 34 HG SER 34 -4.220 -4.997 9.870 274 H ARG 35 H ARG 35 0.568 -3.389 10.440 275 HA ARG 35 HA ARG 35 2.705 -3.839 8.691 276 HB2 ARG 35 2HB ARG 35 2.681 -2.646 10.977 277 HB3 ARG 35 1HB ARG 35 2.949 -4.243 11.665 278 HG2 ARG 35 2HG ARG 35 5.010 -4.463 10.335 279 HG3 ARG 35 1HG ARG 35 4.739 -2.851 9.670 280 HD2 ARG 35 2HD ARG 35 4.722 -2.047 12.102 281 HD3 ARG 35 1HD ARG 35 5.404 -3.624 12.499 282 HE ARG 35 HE ARG 35 6.789 -2.072 10.465 283 HH11 ARG 35 1HH1 ARG 35 6.653 -3.153 13.725 284 HH12 ARG 35 2HH1 ARG 35 8.259 -2.619 14.083 285 HH21 ARG 35 1HH2 ARG 35 8.872 -1.378 10.938 286 HH22 ARG 35 2HH2 ARG 35 9.500 -1.652 12.530 287 H ALA 36 H ALA 36 0.785 -6.134 10.431 288 HA ALA 36 HA ALA 36 2.422 -8.358 10.617 289 HB1 ALA 36 3HB ALA 36 0.404 -9.704 10.456 290 HB2 ALA 36 1HB ALA 36 -0.477 -8.341 9.763 291 HB3 ALA 36 2HB ALA 36 0.098 -8.265 11.429 292 H ALA 37 H ALA 37 0.825 -7.037 7.750 293 HA ALA 37 HA ALA 37 1.587 -9.146 5.975 294 HB1 ALA 37 3HB ALA 37 0.847 -6.291 5.316 295 HB2 ALA 37 1HB ALA 37 -0.287 -7.630 5.495 296 HB3 ALA 37 2HB ALA 37 0.895 -7.648 4.188 297 H LEU 38 H LEU 38 3.024 -6.029 6.850 298 HA LEU 38 HA LEU 38 5.156 -6.073 4.987 299 HB2 LEU 38 2HB LEU 38 5.011 -4.744 7.699 300 HB3 LEU 38 1HB LEU 38 6.214 -4.401 6.469 301 HG LEU 38 HG LEU 38 3.240 -3.875 6.236 302 HD11 LEU 38 1HD1 LEU 38 5.567 -1.971 6.542 303 HD12 LEU 38 2HD1 LEU 38 4.343 -2.328 7.762 304 HD13 LEU 38 3HD1 LEU 38 3.887 -1.509 6.268 305 HD21 LEU 38 3HD2 LEU 38 5.479 -3.280 4.296 306 HD22 LEU 38 1HD2 LEU 38 3.807 -2.742 4.133 307 HD23 LEU 38 2HD2 LEU 38 4.189 -4.462 4.072 308 H GLN 39 H GLN 39 4.862 -7.317 8.293 309 HA GLN 39 HA GLN 39 7.522 -8.258 8.547 310 HB2 GLN 39 2HB GLN 39 4.984 -9.261 9.868 311 HB3 GLN 39 1HB GLN 39 6.617 -9.681 10.369 312 HG2 GLN 39 2HG GLN 39 5.423 -6.910 10.395 313 HG3 GLN 39 1HG GLN 39 5.633 -7.957 11.796 314 HE21 GLN 39 1HE2 GLN 39 7.693 -8.253 12.646 315 HE22 GLN 39 2HE2 GLN 39 9.027 -7.249 12.210 316 H ALA 40 H ALA 40 4.557 -9.745 7.301 317 HA ALA 40 HA ALA 40 5.579 -12.298 6.722 318 HB1 ALA 40 3HB ALA 40 3.721 -12.502 5.143 319 HB2 ALA 40 1HB ALA 40 3.447 -10.761 5.229 320 HB3 ALA 40 2HB ALA 40 3.188 -11.766 6.654 321 H LEU 41 H LEU 41 5.684 -9.278 4.869 322 HA LEU 41 HA LEU 41 7.010 -10.396 2.584 323 HB2 LEU 41 2HB LEU 41 6.898 -7.532 3.551 324 HB3 LEU 41 1HB LEU 41 7.469 -8.044 1.975 325 HG LEU 41 HG LEU 41 4.637 -8.372 2.988 326 HD11 LEU 41 1HD1 LEU 41 5.804 -6.409 1.014 327 HD12 LEU 41 2HD1 LEU 41 5.182 -6.034 2.622 328 HD13 LEU 41 3HD1 LEU 41 4.088 -6.615 1.367 329 HD21 LEU 41 3HD2 LEU 41 5.251 -10.114 1.395 330 HD22 LEU 41 1HD2 LEU 41 5.831 -8.893 0.261 331 HD23 LEU 41 2HD2 LEU 41 4.117 -8.976 0.669 332 H GLY 42 H GLY 42 8.046 -9.211 5.679 333 HA2 GLY 42 2HA GLY 42 10.131 -9.401 6.693 334 HA3 GLY 42 1HA GLY 42 10.796 -9.971 5.170 335 H VAL 43 H VAL 43 9.221 -6.955 6.273 336 HA VAL 43 HA VAL 43 11.071 -5.373 4.685 337 HB VAL 43 HB VAL 43 8.837 -4.474 6.526 338 HG11 VAL 43 1HG1 VAL 43 9.006 -2.308 5.403 339 HG12 VAL 43 2HG1 VAL 43 10.367 -2.895 4.448 340 HG13 VAL 43 3HG1 VAL 43 10.526 -2.718 6.196 341 HG21 VAL 43 3HG2 VAL 43 7.543 -4.129 4.477 342 HG22 VAL 43 1HG2 VAL 43 8.027 -5.816 4.644 343 HG23 VAL 43 2HG2 VAL 43 8.881 -4.762 3.515 344 H ALA 44 H ALA 44 12.671 -4.032 5.431 345 HA ALA 44 HA ALA 44 13.767 -4.580 8.035 346 HB1 ALA 44 3HB ALA 44 15.221 -4.318 6.095 347 HB2 ALA 44 1HB ALA 44 15.604 -3.124 7.334 348 HB3 ALA 44 2HB ALA 44 14.686 -2.648 5.903 349 H GLU 45 H GLU 45 14.054 -3.154 9.750 350 HA GLU 45 HA GLU 45 11.977 -1.281 10.233 351 HB2 GLU 45 2HB GLU 45 14.581 -1.699 11.720 352 HB3 GLU 45 1HB GLU 45 13.203 -0.782 12.318 353 HG2 GLU 45 2HG GLU 45 11.840 -2.795 12.334 354 HG3 GLU 45 1HG GLU 45 13.182 -3.727 11.669 355 H GLY 46 H GLY 46 11.822 0.793 9.630 356 HA2 GLY 46 2HA GLY 46 12.728 3.012 9.376 357 HA3 GLY 46 1HA GLY 46 14.294 2.301 9.014 358 H GLY 47 H GLY 47 12.559 0.310 7.329 359 HA2 GLY 47 2HA GLY 47 12.653 1.928 4.875 360 HA3 GLY 47 1HA GLY 47 12.612 0.174 4.956 361 H GLU 48 H GLU 48 10.335 0.555 7.039 362 HA GLU 48 HA GLU 48 8.204 0.146 5.220 363 HB2 GLU 48 2HB GLU 48 6.735 0.047 7.127 364 HB3 GLU 48 1HB GLU 48 8.227 -0.786 7.523 365 HG2 GLU 48 2HG GLU 48 7.589 2.032 8.376 366 HG3 GLU 48 1HG GLU 48 7.280 0.605 9.358 367 H ARG 49 H ARG 49 9.370 2.995 6.886 368 HA ARG 49 HA ARG 49 7.178 4.683 6.107 369 HB2 ARG 49 2HB ARG 49 8.688 6.540 6.859 370 HB3 ARG 49 1HB ARG 49 8.399 5.298 8.068 371 HG2 ARG 49 2HG ARG 49 10.594 4.282 7.463 372 HG3 ARG 49 1HG ARG 49 10.885 5.661 6.399 373 HD2 ARG 49 2HD ARG 49 10.798 7.185 8.268 374 HD3 ARG 49 1HD ARG 49 10.319 5.884 9.358 375 HE ARG 49 HE ARG 49 12.905 5.690 7.998 376 HH11 ARG 49 1HH1 ARG 49 11.150 6.250 10.918 377 HH12 ARG 49 2HH1 ARG 49 12.535 5.997 11.920 378 HH21 ARG 49 1HH2 ARG 49 14.664 5.365 9.321 379 HH22 ARG 49 2HH2 ARG 49 14.474 5.490 11.037 380 H CYS 50 H CYS 50 9.216 3.180 4.143 381 HA CYS 50 HA CYS 50 9.083 5.320 2.129 382 HB2 CYS 50 2HB CYS 50 11.493 3.534 2.560 383 HB3 CYS 50 1HB CYS 50 11.309 4.721 1.271 384 HG CYS 50 HG CYS 50 12.991 5.323 3.713 385 HA PRO 51 HA PRO 51 7.023 1.370 0.762 386 HB2 PRO 51 2HB PRO 51 5.316 2.690 -0.985 387 HB3 PRO 51 1HB PRO 51 4.952 2.323 0.705 388 HG2 PRO 51 2HG PRO 51 5.963 4.871 -0.504 389 HG3 PRO 51 1HG PRO 51 4.744 4.638 0.764 390 HD2 PRO 51 2HD PRO 51 7.243 5.400 1.366 391 HD3 PRO 51 1HD PRO 51 6.350 4.275 2.415 392 H GLN 52 H GLN 52 8.122 4.070 -1.267 393 HA GLN 52 HA GLN 52 8.335 2.696 -3.705 394 HB2 GLN 52 2HB GLN 52 9.860 4.512 -4.377 395 HB3 GLN 52 1HB GLN 52 8.423 5.124 -3.570 396 HG2 GLN 52 2HG GLN 52 9.778 5.275 -1.460 397 HG3 GLN 52 1HG GLN 52 11.199 4.879 -2.423 398 HE21 GLN 52 1HE2 GLN 52 11.984 6.415 -3.902 399 HE22 GLN 52 2HE2 GLN 52 11.490 8.069 -3.841 400 H SER 53 H SER 53 10.331 2.560 -0.882 401 HA SER 53 HA SER 53 12.623 1.417 -2.260 402 HB2 SER 53 2HB SER 53 12.089 1.766 0.707 403 HB3 SER 53 1HB SER 53 13.614 1.229 0.000 404 HG SER 53 HG SER 53 13.585 3.485 0.476 405 H VAL 54 H VAL 54 9.773 0.284 -0.629 406 HA VAL 54 HA VAL 54 10.783 -2.385 -0.149 407 HB VAL 54 HB VAL 54 7.918 -1.403 -0.065 408 HG11 VAL 54 1HG1 VAL 54 9.180 -3.869 1.147 409 HG12 VAL 54 2HG1 VAL 54 8.110 -3.840 -0.256 410 HG13 VAL 54 3HG1 VAL 54 7.499 -3.366 1.330 411 HG21 VAL 54 3HG2 VAL 54 9.957 -1.615 2.160 412 HG22 VAL 54 1HG2 VAL 54 8.249 -1.232 2.373 413 HG23 VAL 54 2HG2 VAL 54 9.296 -0.126 1.483 414 H GLY 55 H GLY 55 8.500 -0.901 -2.452 415 HA2 GLY 55 2HA GLY 55 8.693 -1.657 -4.801 416 HA3 GLY 55 1HA GLY 55 8.800 -3.295 -4.180 417 H TRP 56 H TRP 56 6.937 -4.418 -3.753 418 HA TRP 56 HA TRP 56 4.374 -2.975 -4.034 419 HB2 TRP 56 2HB TRP 56 3.442 -5.055 -5.061 420 HB3 TRP 56 1HB TRP 56 4.698 -4.296 -6.033 421 HD1 TRP 56 HD1 TRP 56 7.104 -5.574 -6.133 422 HE1 TRP 56 HE1 TRP 56 7.701 -8.057 -5.818 423 HE3 TRP 56 HE3 TRP 56 2.820 -7.155 -3.824 424 HZ2 TRP 56 HZ2 TRP 56 6.514 -10.376 -4.738 425 HZ3 TRP 56 HZ3 TRP 56 2.629 -9.524 -3.189 426 HH2 TRP 56 HH2 TRP 56 4.439 -11.099 -3.640 427 H MET 57 H MET 57 2.863 -3.325 -2.457 428 HA MET 57 HA MET 57 3.326 -5.523 -0.538 429 HB2 MET 57 2HB MET 57 2.619 -2.689 0.279 430 HB3 MET 57 1HB MET 57 2.869 -4.058 1.354 431 HG2 MET 57 2HG MET 57 4.826 -2.793 1.503 432 HG3 MET 57 1HG MET 57 5.240 -4.146 0.452 433 HE1 MET 57 3HE MET 57 4.429 -0.335 0.684 434 HE2 MET 57 1HE MET 57 3.164 -0.885 -0.417 435 HE3 MET 57 2HE MET 57 4.454 0.161 -1.009 436 HA PRO 58 HA PRO 58 -1.167 -5.825 -0.749 437 HB2 PRO 58 2HB PRO 58 -1.308 -7.551 1.511 438 HB3 PRO 58 1HB PRO 58 -1.228 -8.023 -0.185 439 HG2 PRO 58 2HG PRO 58 0.757 -8.478 1.733 440 HG3 PRO 58 1HG PRO 58 0.966 -8.590 -0.021 441 HD2 PRO 58 2HD PRO 58 1.691 -6.370 1.839 442 HD3 PRO 58 1HD PRO 58 2.519 -6.934 0.371 443 H GLY 59 H GLY 59 -2.856 -4.674 0.138 444 HA2 GLY 59 2HA GLY 59 -2.907 -4.011 2.964 445 HA3 GLY 59 1HA GLY 59 -2.592 -2.640 1.915 446 H LEU 60 H LEU 60 -4.676 -2.201 3.323 447 HA LEU 60 HA LEU 60 -7.097 -3.141 1.939 448 HB2 LEU 60 2HB LEU 60 -7.035 -3.363 4.387 449 HB3 LEU 60 1HB LEU 60 -6.750 -1.641 4.544 450 HG LEU 60 HG LEU 60 -8.993 -1.223 3.520 451 HD11 LEU 60 1HD1 LEU 60 -9.261 -3.298 2.290 452 HD12 LEU 60 2HD1 LEU 60 -10.598 -3.073 3.416 453 HD13 LEU 60 3HD1 LEU 60 -9.308 -4.214 3.798 454 HD21 LEU 60 3HD2 LEU 60 -8.660 -1.203 5.956 455 HD22 LEU 60 1HD2 LEU 60 -9.029 -2.927 6.019 456 HD23 LEU 60 2HD2 LEU 60 -10.267 -1.774 5.517 457 H ASN 61 H ASN 61 -7.880 -1.878 0.367 458 HA ASN 61 HA ASN 61 -7.160 0.933 0.193 459 HB2 ASN 61 2HB ASN 61 -7.099 -0.328 -1.855 460 HB3 ASN 61 1HB ASN 61 -8.748 -0.895 -1.620 461 HD21 ASN 61 1HD2 ASN 61 -6.792 1.932 -2.327 462 HD22 ASN 61 2HD2 ASN 61 -8.057 2.841 -3.064 463 H GLU 62 H GLU 62 -8.286 2.411 1.293 464 HA GLU 62 HA GLU 62 -10.720 1.888 2.596 465 HB2 GLU 62 2HB GLU 62 -9.242 4.452 2.035 466 HB3 GLU 62 1HB GLU 62 -10.722 4.408 2.983 467 HG2 GLU 62 2HG GLU 62 -8.229 2.855 3.665 468 HG3 GLU 62 1HG GLU 62 -8.632 4.435 4.332 469 H ARG 63 H ARG 63 -10.102 3.290 -0.565 470 HA ARG 63 HA ARG 63 -12.583 4.504 -1.055 471 HB2 ARG 63 2HB ARG 63 -10.484 4.611 -2.480 472 HB3 ARG 63 1HB ARG 63 -10.920 3.034 -3.111 473 HG2 ARG 63 2HG ARG 63 -11.739 4.442 -4.735 474 HG3 ARG 63 1HG ARG 63 -13.170 4.187 -3.737 475 HD2 ARG 63 2HD ARG 63 -11.300 6.555 -3.528 476 HD3 ARG 63 1HD ARG 63 -12.840 6.558 -4.384 477 HE ARG 63 HE ARG 63 -13.794 5.970 -2.092 478 HH11 ARG 63 1HH1 ARG 63 -11.022 7.960 -2.563 479 HH12 ARG 63 2HH1 ARG 63 -11.265 8.840 -1.098 480 HH21 ARG 63 1HH2 ARG 63 -14.096 7.116 -0.214 481 HH22 ARG 63 2HH2 ARG 63 -12.986 8.369 0.212 482 H THR 64 H THR 64 -11.532 1.199 -1.882 483 HA THR 64 HA THR 64 -14.290 0.481 -2.620 484 HB THR 64 HB THR 64 -13.289 -1.512 -3.672 485 HG1 THR 64 HG1 THR 64 -10.699 -0.484 -3.255 486 HG21 THR 64 3HG2 THR 64 -11.899 1.060 -4.463 487 HG22 THR 64 1HG2 THR 64 -13.490 0.532 -5.013 488 HG23 THR 64 2HG2 THR 64 -12.052 -0.380 -5.469 489 H ARG 65 H ARG 65 -12.247 0.213 0.018 490 HA ARG 65 HA ARG 65 -12.223 -1.008 1.939 491 HB2 ARG 65 2HB ARG 65 -14.885 -2.108 0.998 492 HB3 ARG 65 1HB ARG 65 -14.243 -2.214 2.629 493 HG2 ARG 65 2HG ARG 65 -15.107 0.286 1.184 494 HG3 ARG 65 1HG ARG 65 -15.926 -0.502 2.534 495 HD2 ARG 65 2HD ARG 65 -13.245 0.885 2.569 496 HD3 ARG 65 1HD ARG 65 -14.726 1.408 3.366 497 HE ARG 65 HE ARG 65 -14.134 -1.097 4.376 498 HH11 ARG 65 1HH1 ARG 65 -12.816 2.066 4.386 499 HH12 ARG 65 2HH1 ARG 65 -11.844 1.793 5.788 500 HH21 ARG 65 1HH2 ARG 65 -12.926 -1.441 6.212 501 HH22 ARG 65 2HH2 ARG 65 -11.923 -0.168 6.822 502 H GLN 66 H GLN 66 -11.453 -2.184 -0.840 503 HA GLN 66 HA GLN 66 -11.669 -5.053 -0.274 504 HB2 GLN 66 2HB GLN 66 -10.721 -3.629 -2.769 505 HB3 GLN 66 1HB GLN 66 -10.883 -5.371 -2.594 506 HG2 GLN 66 2HG GLN 66 -13.098 -3.325 -2.562 507 HG3 GLN 66 1HG GLN 66 -12.770 -4.526 -3.807 508 HE21 GLN 66 1HE2 GLN 66 -14.116 -3.952 -0.672 509 HE22 GLN 66 2HE2 GLN 66 -14.844 -5.505 -0.475 510 H ARG 67 H ARG 67 -9.751 -6.407 -0.897 511 HA ARG 67 HA ARG 67 -7.283 -5.254 0.256 512 HB2 ARG 67 2HB ARG 67 -8.424 -8.051 0.451 513 HB3 ARG 67 1HB ARG 67 -6.822 -7.604 1.024 514 HG2 ARG 67 2HG ARG 67 -7.659 -6.337 2.778 515 HG3 ARG 67 1HG ARG 67 -9.242 -6.149 2.023 516 HD2 ARG 67 2HD ARG 67 -9.174 -7.710 3.986 517 HD3 ARG 67 1HD ARG 67 -9.838 -8.398 2.507 518 HE ARG 67 HE ARG 67 -7.251 -9.146 2.391 519 HH11 ARG 67 1HH1 ARG 67 -9.618 -9.378 4.882 520 HH12 ARG 67 2HH1 ARG 67 -8.970 -10.850 5.516 521 HH21 ARG 67 1HH2 ARG 67 -6.442 -11.069 3.203 522 HH22 ARG 67 2HH2 ARG 67 -7.202 -11.794 4.576 523 H GLY 68 H GLY 68 -5.291 -5.817 -0.681 524 HA2 GLY 68 2HA GLY 68 -4.726 -7.864 -2.438 525 HA3 GLY 68 1HA GLY 68 -5.331 -6.563 -3.453 526 H ASP 69 H ASP 69 -2.937 -7.185 -4.146 527 HA ASP 69 HA ASP 69 -0.917 -5.727 -2.638 528 HB2 ASP 69 2HB ASP 69 -0.647 -7.135 -5.307 529 HB3 ASP 69 1HB ASP 69 0.659 -6.642 -4.229 530 H PHE 70 H PHE 70 0.042 -3.814 -3.250 531 HA PHE 70 HA PHE 70 -0.843 -2.558 -5.758 532 HB2 PHE 70 2HB PHE 70 -1.154 -0.406 -4.597 533 HB3 PHE 70 1HB PHE 70 -2.251 -1.641 -3.990 534 HD1 PHE 70 HD1 PHE 70 -2.009 -2.524 -1.739 535 HD2 PHE 70 HD2 PHE 70 0.634 0.476 -3.212 536 HE1 PHE 70 HE1 PHE 70 -1.248 -2.072 0.555 537 HE2 PHE 70 HE2 PHE 70 1.396 0.930 -0.919 538 HZ PHE 70 HZ PHE 70 0.457 -0.342 0.968 539 HA PRO 71 HA PRO 71 3.467 -1.503 -6.262 540 HB2 PRO 71 2HB PRO 71 2.583 0.867 -7.789 541 HB3 PRO 71 1HB PRO 71 3.518 -0.530 -8.329 542 HG2 PRO 71 2HG PRO 71 0.971 -0.157 -9.100 543 HG3 PRO 71 1HG PRO 71 1.628 -1.780 -8.804 544 HD2 PRO 71 2HD PRO 71 -0.105 -0.085 -7.028 545 HD3 PRO 71 1HD PRO 71 -0.216 -1.824 -7.377 546 H GLY 72 H GLY 72 4.436 -0.730 -4.456 547 HA2 GLY 72 2HA GLY 72 3.586 1.450 -2.901 548 HA3 GLY 72 1HA GLY 72 5.171 0.706 -2.829 549 H THR 73 H THR 73 5.159 1.552 -5.903 550 HA THR 73 HA THR 73 6.670 3.960 -5.499 551 HB THR 73 HB THR 73 6.888 3.995 -7.974 552 HG1 THR 73 HG1 THR 73 5.976 2.128 -9.089 553 HG21 THR 73 3HG2 THR 73 7.369 1.273 -6.740 554 HG22 THR 73 1HG2 THR 73 8.456 2.659 -6.632 555 HG23 THR 73 2HG2 THR 73 8.145 1.899 -8.194 556 H TYR 74 H TYR 74 3.349 3.269 -6.195 557 HA TYR 74 HA TYR 74 2.864 6.042 -7.061 558 HB2 TYR 74 2HB TYR 74 1.317 3.492 -7.375 559 HB3 TYR 74 1HB TYR 74 0.461 5.029 -7.434 560 HD1 TYR 74 HD2 TYR 74 0.931 6.651 -9.219 561 HD2 TYR 74 HD1 TYR 74 2.763 2.804 -9.198 562 HE1 TYR 74 HE2 TYR 74 1.539 6.936 -11.580 563 HE2 TYR 74 HE1 TYR 74 3.380 3.087 -11.564 564 HH TYR 74 HH TYR 74 3.215 6.076 -13.159 565 H VAL 75 H VAL 75 3.192 4.763 -4.185 566 HA VAL 75 HA VAL 75 1.018 6.393 -3.037 567 HB VAL 75 HB VAL 75 0.791 4.859 -1.147 568 HG11 VAL 75 1HG1 VAL 75 0.462 3.468 -3.811 569 HG12 VAL 75 2HG1 VAL 75 -0.707 4.535 -3.034 570 HG13 VAL 75 3HG1 VAL 75 -0.310 2.980 -2.301 571 HG21 VAL 75 3HG2 VAL 75 3.062 3.947 -1.125 572 HG22 VAL 75 1HG2 VAL 75 2.734 3.070 -2.620 573 HG23 VAL 75 2HG2 VAL 75 1.861 2.656 -1.143 574 H GLU 76 H GLU 76 1.496 7.480 -1.087 575 HA GLU 76 HA GLU 76 4.366 7.584 -0.378 576 HB2 GLU 76 2HB GLU 76 3.987 9.949 0.290 577 HB3 GLU 76 1HB GLU 76 3.734 9.663 -1.425 578 HG2 GLU 76 2HG GLU 76 1.331 9.672 -1.111 579 HG3 GLU 76 1HG GLU 76 1.537 9.856 0.630 580 H PHE 77 H PHE 77 4.940 7.690 1.787 581 HA PHE 77 HA PHE 77 3.134 6.448 3.626 582 HB2 PHE 77 2HB PHE 77 5.522 5.948 3.690 583 HB3 PHE 77 1HB PHE 77 5.893 7.632 4.044 584 HD1 PHE 77 HD2 PHE 77 4.202 4.615 5.396 585 HD2 PHE 77 HD1 PHE 77 5.927 8.414 6.267 586 HE1 PHE 77 HE2 PHE 77 4.051 4.135 7.802 587 HE2 PHE 77 HE1 PHE 77 5.783 7.930 8.673 588 HZ PHE 77 HZ PHE 77 4.842 5.789 9.442 589 H LEU 78 H LEU 78 1.599 7.464 4.741 590 HA LEU 78 HA LEU 78 1.713 10.339 5.200 591 HB2 LEU 78 2HB LEU 78 -0.406 8.304 5.929 592 HB3 LEU 78 1HB LEU 78 -0.572 10.044 6.083 593 HG LEU 78 HG LEU 78 -0.204 8.560 3.472 594 HD11 LEU 78 1HD1 LEU 78 -2.670 9.823 4.668 595 HD12 LEU 78 2HD1 LEU 78 -2.375 8.095 4.477 596 HD13 LEU 78 3HD1 LEU 78 -2.546 9.122 3.055 597 HD21 LEU 78 3HD2 LEU 78 0.726 10.822 3.413 598 HD22 LEU 78 1HD2 LEU 78 -0.798 11.474 4.018 599 HD23 LEU 78 2HD2 LEU 78 -0.732 10.710 2.429 600 H GLY 79 H GLY 79 1.150 7.462 7.254 601 HA2 GLY 79 2HA GLY 79 2.998 8.005 9.239 602 HA3 GLY 79 1HA GLY 79 1.552 8.888 9.699 603 HA PRO 80 HA PRO 80 1.086 4.524 11.274 604 HB2 PRO 80 2HB PRO 80 1.031 5.024 13.907 605 HB3 PRO 80 1HB PRO 80 2.559 4.926 13.020 606 HG2 PRO 80 2HG PRO 80 1.028 7.356 13.888 607 HG3 PRO 80 1HG PRO 80 2.771 7.042 13.976 608 HD2 PRO 80 2HD PRO 80 1.575 8.526 11.991 609 HD3 PRO 80 1HD PRO 80 3.115 7.665 11.795 610 H LEU 81 H LEU 81 -0.632 3.809 13.060 611 HA LEU 81 HA LEU 81 -3.173 4.956 12.228 612 HB2 LEU 81 2HB LEU 81 -2.531 2.583 13.988 613 HB3 LEU 81 1HB LEU 81 -4.146 3.041 13.478 614 HG LEU 81 HG LEU 81 -1.914 2.183 11.622 615 HD11 LEU 81 1HD1 LEU 81 -4.364 0.684 12.556 616 HD12 LEU 81 2HD1 LEU 81 -2.692 0.331 12.999 617 HD13 LEU 81 3HD1 LEU 81 -3.223 0.133 11.328 618 HD21 LEU 81 3HD2 LEU 81 -3.677 2.101 9.912 619 HD22 LEU 81 1HD2 LEU 81 -3.449 3.732 10.543 620 HD23 LEU 81 2HD2 LEU 81 -4.827 2.767 11.072 621 H GLU 82 H GLU 82 -4.065 6.597 13.329 622 HA GLU 82 HA GLU 82 -3.275 7.223 16.037 623 HB2 GLU 82 2HB GLU 82 -5.272 8.505 14.162 624 HB3 GLU 82 1HB GLU 82 -4.922 9.115 15.774 625 HG2 GLU 82 2HG GLU 82 -2.895 8.823 13.558 626 HG3 GLU 82 1HG GLU 82 -3.718 10.322 13.991 Start of MODEL 4 1 H1 MET 1 1H MET 1 1.151 -1.098 26.040 2 H2 MET 1 2H MET 1 2.269 -1.412 24.812 3 H3 MET 1 3H MET 1 2.266 -2.360 26.211 4 HA MET 1 HA MET 1 1.278 -3.512 24.333 5 HB2 MET 1 2HB MET 1 -0.501 -2.819 26.674 6 HB3 MET 1 1HB MET 1 -0.919 -4.063 25.502 7 HG2 MET 1 2HG MET 1 0.120 -4.952 27.555 8 HG3 MET 1 1HG MET 1 1.013 -5.356 26.090 9 HE1 MET 1 3HE MET 1 2.302 -5.673 28.983 10 HE2 MET 1 1HE MET 1 3.907 -5.011 28.672 11 HE3 MET 1 2HE MET 1 3.127 -6.038 27.467 12 H ALA 2 H ALA 2 0.687 -2.868 22.361 13 HA ALA 2 HA ALA 2 -1.843 -1.385 22.093 14 HB1 ALA 2 3HB ALA 2 -0.945 -0.039 20.278 15 HB2 ALA 2 1HB ALA 2 0.631 -0.812 20.456 16 HB3 ALA 2 2HB ALA 2 -0.001 0.211 21.746 17 H GLY 3 H GLY 3 0.591 -2.747 19.846 18 HA2 GLY 3 2HA GLY 3 -0.036 -5.091 19.054 19 HA3 GLY 3 1HA GLY 3 -1.578 -4.361 18.642 20 HA PRO 4 HA PRO 4 1.078 -3.740 14.916 21 HB2 PRO 4 2HB PRO 4 0.562 -5.900 13.461 22 HB3 PRO 4 1HB PRO 4 1.644 -6.004 14.856 23 HG2 PRO 4 2HG PRO 4 -1.158 -6.967 14.565 24 HG3 PRO 4 1HG PRO 4 0.155 -7.616 15.563 25 HD2 PRO 4 2HD PRO 4 -1.958 -5.836 16.367 26 HD3 PRO 4 1HD PRO 4 -0.619 -6.453 17.359 27 H GLU 5 H GLU 5 -1.595 -2.609 15.454 28 HA GLU 5 HA GLU 5 -3.485 -3.296 13.499 29 HB2 GLU 5 2HB GLU 5 -4.532 -1.091 13.884 30 HB3 GLU 5 1HB GLU 5 -4.178 -1.946 15.374 31 HG2 GLU 5 2HG GLU 5 -2.287 0.125 14.312 32 HG3 GLU 5 1HG GLU 5 -3.721 0.589 15.223 33 H GLY 6 H GLY 6 -0.736 -1.077 13.282 34 HA2 GLY 6 2HA GLY 6 0.449 -1.218 11.160 35 HA3 GLY 6 1HA GLY 6 -1.100 -1.254 10.351 36 H PHE 7 H PHE 7 -0.159 0.350 8.999 37 HA PHE 7 HA PHE 7 -0.229 3.083 10.124 38 HB2 PHE 7 2HB PHE 7 1.603 2.120 7.905 39 HB3 PHE 7 1HB PHE 7 1.593 3.717 8.641 40 HD1 PHE 7 HD2 PHE 7 2.549 0.201 9.089 41 HD2 PHE 7 HD1 PHE 7 2.615 4.101 10.801 42 HE1 PHE 7 HE2 PHE 7 4.226 -0.548 10.725 43 HE2 PHE 7 HE1 PHE 7 4.290 3.354 12.440 44 HZ PHE 7 HZ PHE 7 5.098 1.027 12.404 45 H GLN 8 H GLN 8 -0.293 4.700 8.081 46 HA GLN 8 HA GLN 8 -2.246 3.632 6.138 47 HB2 GLN 8 2HB GLN 8 -2.304 6.337 7.492 48 HB3 GLN 8 1HB GLN 8 -3.313 5.905 6.115 49 HG2 GLN 8 2HG GLN 8 -4.240 4.024 7.494 50 HG3 GLN 8 1HG GLN 8 -3.361 4.688 8.871 51 HE21 GLN 8 1HE2 GLN 8 -6.234 4.352 8.461 52 HE22 GLN 8 2HE2 GLN 8 -6.929 5.920 8.645 53 H TYR 9 H TYR 9 -1.962 4.092 4.055 54 HA TYR 9 HA TYR 9 0.158 5.999 3.271 55 HB2 TYR 9 2HB TYR 9 -0.678 3.436 1.878 56 HB3 TYR 9 1HB TYR 9 0.513 4.575 1.268 57 HD1 TYR 9 HD1 TYR 9 -0.193 2.204 4.043 58 HD2 TYR 9 HD2 TYR 9 2.775 4.444 1.961 59 HE1 TYR 9 HE1 TYR 9 1.566 0.985 5.247 60 HE2 TYR 9 HE2 TYR 9 4.542 3.226 3.166 61 HH TYR 9 HH TYR 9 4.828 1.953 5.252 62 H ARG 10 H ARG 10 -0.225 7.177 1.264 63 HA ARG 10 HA ARG 10 -3.076 7.249 0.472 64 HB2 ARG 10 2HB ARG 10 -2.533 9.222 1.800 65 HB3 ARG 10 1HB ARG 10 -1.182 9.595 0.738 66 HG2 ARG 10 2HG ARG 10 -2.665 10.091 -1.087 67 HG3 ARG 10 1HG ARG 10 -4.060 9.517 -0.172 68 HD2 ARG 10 2HD ARG 10 -3.949 11.965 -0.202 69 HD3 ARG 10 1HD ARG 10 -3.778 11.328 1.433 70 HE ARG 10 HE ARG 10 -1.299 11.888 0.034 71 HH11 ARG 10 1HH1 ARG 10 -3.699 13.052 2.229 72 HH12 ARG 10 2HH1 ARG 10 -2.634 14.216 2.929 73 HH21 ARG 10 1HH2 ARG 10 0.024 13.410 0.923 74 HH22 ARG 10 2HH2 ARG 10 -0.560 14.420 2.200 75 H ALA 11 H ALA 11 -3.426 6.773 -1.591 76 HA ALA 11 HA ALA 11 -1.287 6.461 -3.470 77 HB1 ALA 11 3HB ALA 11 -3.229 4.969 -3.458 78 HB2 ALA 11 1HB ALA 11 -3.020 5.746 -5.028 79 HB3 ALA 11 2HB ALA 11 -4.270 6.316 -3.921 80 H LEU 12 H LEU 12 -0.461 7.930 -4.806 81 HA LEU 12 HA LEU 12 -1.566 10.602 -4.897 82 HB2 LEU 12 2HB LEU 12 0.852 9.488 -6.333 83 HB3 LEU 12 1HB LEU 12 0.463 11.185 -6.100 84 HG LEU 12 HG LEU 12 1.242 9.208 -3.942 85 HD11 LEU 12 1HD1 LEU 12 3.222 10.623 -3.691 86 HD12 LEU 12 2HD1 LEU 12 2.685 11.621 -5.045 87 HD13 LEU 12 3HD1 LEU 12 3.121 9.930 -5.309 88 HD21 LEU 12 3HD2 LEU 12 -0.408 10.754 -3.063 89 HD22 LEU 12 1HD2 LEU 12 0.494 12.125 -3.710 90 HD23 LEU 12 2HD2 LEU 12 1.186 11.143 -2.419 91 H TYR 13 H TYR 13 -0.855 8.062 -7.299 92 HA TYR 13 HA TYR 13 -2.726 9.385 -9.156 93 HB2 TYR 13 2HB TYR 13 -0.044 8.150 -9.843 94 HB3 TYR 13 1HB TYR 13 -1.237 8.657 -11.038 95 HD1 TYR 13 HD1 TYR 13 -1.931 11.113 -11.077 96 HD2 TYR 13 HD2 TYR 13 1.480 9.719 -8.940 97 HE1 TYR 13 HE1 TYR 13 -1.050 13.406 -11.002 98 HE2 TYR 13 HE2 TYR 13 2.369 12.012 -8.857 99 HH TYR 13 HH TYR 13 0.499 14.726 -9.560 100 HA PRO 14 HA PRO 14 -4.770 5.521 -9.487 101 HB2 PRO 14 2HB PRO 14 -5.662 5.525 -12.068 102 HB3 PRO 14 1HB PRO 14 -6.367 6.519 -10.786 103 HG2 PRO 14 2HG PRO 14 -4.387 7.279 -12.907 104 HG3 PRO 14 1HG PRO 14 -5.788 8.185 -12.311 105 HD2 PRO 14 2HD PRO 14 -3.248 8.731 -11.523 106 HD3 PRO 14 1HD PRO 14 -4.648 8.972 -10.459 107 H PHE 15 H PHE 15 -4.102 3.512 -9.651 108 HA PHE 15 HA PHE 15 -2.212 2.725 -11.775 109 HB2 PHE 15 2HB PHE 15 -1.156 2.388 -9.675 110 HB3 PHE 15 1HB PHE 15 -2.616 1.723 -8.953 111 HD1 PHE 15 HD1 PHE 15 0.105 1.033 -11.369 112 HD2 PHE 15 HD2 PHE 15 -3.081 -0.593 -9.053 113 HE1 PHE 15 HE1 PHE 15 0.889 -1.243 -11.884 114 HE2 PHE 15 HE2 PHE 15 -2.299 -2.866 -9.565 115 HZ PHE 15 HZ PHE 15 -0.312 -3.195 -10.982 116 H ARG 16 H ARG 16 -2.870 1.232 -13.237 117 HA ARG 16 HA ARG 16 -5.370 -0.234 -12.697 118 HB2 ARG 16 2HB ARG 16 -5.422 -0.545 -15.230 119 HB3 ARG 16 1HB ARG 16 -5.725 1.069 -14.615 120 HG2 ARG 16 2HG ARG 16 -4.332 1.467 -16.411 121 HG3 ARG 16 1HG ARG 16 -3.213 1.479 -15.052 122 HD2 ARG 16 2HD ARG 16 -2.728 -0.944 -15.581 123 HD3 ARG 16 1HD ARG 16 -3.658 -0.726 -17.064 124 HE ARG 16 HE ARG 16 -1.656 1.266 -16.823 125 HH11 ARG 16 1HH1 ARG 16 -2.123 -2.036 -17.688 126 HH12 ARG 16 2HH1 ARG 16 -0.653 -2.118 -18.591 127 HH21 ARG 16 1HH2 ARG 16 0.211 1.156 -18.002 128 HH22 ARG 16 2HH2 ARG 16 0.637 -0.322 -18.794 129 H ARG 17 H ARG 17 -5.489 -2.420 -12.838 130 HA ARG 17 HA ARG 17 -2.959 -3.880 -13.324 131 HB2 ARG 17 2HB ARG 17 -3.724 -3.912 -10.965 132 HB3 ARG 17 1HB ARG 17 -5.235 -4.644 -11.476 133 HG2 ARG 17 2HG ARG 17 -3.867 -6.368 -10.611 134 HG3 ARG 17 1HG ARG 17 -3.917 -6.573 -12.353 135 HD2 ARG 17 2HD ARG 17 -1.717 -5.680 -12.607 136 HD3 ARG 17 1HD ARG 17 -1.667 -5.169 -10.916 137 HE ARG 17 HE ARG 17 -2.101 -7.889 -10.872 138 HH11 ARG 17 1HH1 ARG 17 0.375 -5.817 -12.093 139 HH12 ARG 17 2HH1 ARG 17 1.621 -6.978 -11.808 140 HH21 ARG 17 1HH2 ARG 17 -0.513 -9.342 -10.492 141 HH22 ARG 17 2HH2 ARG 17 1.121 -8.972 -10.914 142 H GLU 18 H GLU 18 -2.989 -5.694 -14.623 143 HA GLU 18 HA GLU 18 -5.154 -6.008 -16.470 144 HB2 GLU 18 2HB GLU 18 -3.768 -7.776 -17.466 145 HB3 GLU 18 1HB GLU 18 -2.830 -6.319 -17.163 146 HG2 GLU 18 2HG GLU 18 -1.935 -7.353 -15.106 147 HG3 GLU 18 1HG GLU 18 -2.829 -8.825 -15.481 148 H ARG 19 H ARG 19 -5.215 -6.894 -13.422 149 HA ARG 19 HA ARG 19 -6.925 -9.214 -13.854 150 HB2 ARG 19 2HB ARG 19 -4.522 -9.187 -12.010 151 HB3 ARG 19 1HB ARG 19 -5.844 -10.331 -11.827 152 HG2 ARG 19 2HG ARG 19 -5.383 -11.186 -14.101 153 HG3 ARG 19 1HG ARG 19 -4.009 -10.081 -14.210 154 HD2 ARG 19 2HD ARG 19 -2.870 -11.183 -12.439 155 HD3 ARG 19 1HD ARG 19 -4.301 -12.116 -12.004 156 HE ARG 19 HE ARG 19 -2.724 -12.518 -14.463 157 HH11 ARG 19 1HH1 ARG 19 -4.763 -13.704 -11.951 158 HH12 ARG 19 2HH1 ARG 19 -4.715 -15.329 -12.536 159 HH21 ARG 19 1HH2 ARG 19 -2.662 -14.623 -15.192 160 HH22 ARG 19 2HH2 ARG 19 -3.544 -15.842 -14.344 161 HA PRO 20 HA PRO 20 -9.229 -7.044 -10.651 162 HB2 PRO 20 2HB PRO 20 -11.107 -8.904 -10.110 163 HB3 PRO 20 1HB PRO 20 -11.091 -8.009 -11.635 164 HG2 PRO 20 2HG PRO 20 -10.102 -10.783 -11.055 165 HG3 PRO 20 1HG PRO 20 -11.043 -10.199 -12.439 166 HD2 PRO 20 2HD PRO 20 -8.333 -10.595 -12.513 167 HD3 PRO 20 1HD PRO 20 -9.179 -9.414 -13.534 168 H GLU 21 H GLU 21 -7.275 -9.721 -10.143 169 HA GLU 21 HA GLU 21 -7.956 -10.421 -7.462 170 HB2 GLU 21 2HB GLU 21 -5.412 -10.873 -9.038 171 HB3 GLU 21 1HB GLU 21 -5.796 -11.639 -7.503 172 HG2 GLU 21 2HG GLU 21 -7.073 -13.194 -8.474 173 HG3 GLU 21 1HG GLU 21 -7.891 -12.014 -9.494 174 H ASP 22 H ASP 22 -5.236 -8.546 -8.830 175 HA ASP 22 HA ASP 22 -4.123 -7.914 -6.282 176 HB2 ASP 22 2HB ASP 22 -3.612 -6.496 -8.905 177 HB3 ASP 22 1HB ASP 22 -2.550 -6.563 -7.504 178 H LEU 23 H LEU 23 -3.654 -5.514 -5.729 179 HA LEU 23 HA LEU 23 -6.283 -4.203 -5.605 180 HB2 LEU 23 2HB LEU 23 -5.204 -4.814 -3.477 181 HB3 LEU 23 1HB LEU 23 -3.831 -3.802 -3.885 182 HG LEU 23 HG LEU 23 -5.251 -1.802 -3.793 183 HD11 LEU 23 1HD1 LEU 23 -7.564 -1.968 -2.959 184 HD12 LEU 23 2HD1 LEU 23 -7.459 -3.727 -3.052 185 HD13 LEU 23 3HD1 LEU 23 -7.358 -2.757 -4.523 186 HD21 LEU 23 3HD2 LEU 23 -5.676 -1.789 -1.381 187 HD22 LEU 23 1HD2 LEU 23 -4.125 -2.543 -1.751 188 HD23 LEU 23 2HD2 LEU 23 -5.516 -3.545 -1.336 189 H GLU 24 H GLU 24 -6.647 -2.490 -6.821 190 HA GLU 24 HA GLU 24 -4.433 -1.088 -8.100 191 HB2 GLU 24 2HB GLU 24 -7.426 -0.949 -8.518 192 HB3 GLU 24 1HB GLU 24 -6.256 0.001 -9.428 193 HG2 GLU 24 2HG GLU 24 -5.266 -1.981 -10.355 194 HG3 GLU 24 1HG GLU 24 -6.262 -3.012 -9.328 195 H LEU 25 H LEU 25 -4.653 1.343 -8.346 196 HA LEU 25 HA LEU 25 -5.307 2.527 -5.712 197 HB2 LEU 25 2HB LEU 25 -2.936 3.164 -7.481 198 HB3 LEU 25 1HB LEU 25 -3.307 3.938 -5.951 199 HG LEU 25 HG LEU 25 -2.623 1.012 -6.292 200 HD11 LEU 25 1HD1 LEU 25 -0.944 3.289 -5.248 201 HD12 LEU 25 2HD1 LEU 25 -0.688 2.399 -6.748 202 HD13 LEU 25 3HD1 LEU 25 -0.503 1.581 -5.197 203 HD21 LEU 25 3HD2 LEU 25 -2.455 1.003 -3.842 204 HD22 LEU 25 1HD2 LEU 25 -4.087 1.388 -4.390 205 HD23 LEU 25 2HD2 LEU 25 -3.029 2.672 -3.802 206 H LEU 26 H LEU 26 -6.097 4.642 -5.671 207 HA LEU 26 HA LEU 26 -6.678 5.910 -8.278 208 HB2 LEU 26 2HB LEU 26 -8.417 5.630 -5.836 209 HB3 LEU 26 1HB LEU 26 -8.693 6.918 -6.991 210 HG LEU 26 HG LEU 26 -10.221 5.135 -7.476 211 HD11 LEU 26 1HD1 LEU 26 -9.636 4.600 -9.790 212 HD12 LEU 26 2HD1 LEU 26 -7.983 5.140 -9.498 213 HD13 LEU 26 3HD1 LEU 26 -9.316 6.291 -9.407 214 HD21 LEU 26 3HD2 LEU 26 -9.538 2.869 -7.997 215 HD22 LEU 26 1HD2 LEU 26 -8.989 3.307 -6.380 216 HD23 LEU 26 2HD2 LEU 26 -7.848 3.288 -7.725 217 HA PRO 27 HA PRO 27 -4.650 9.563 -6.813 218 HB2 PRO 27 2HB PRO 27 -6.176 11.572 -7.869 219 HB3 PRO 27 1HB PRO 27 -5.074 10.579 -8.832 220 HG2 PRO 27 2HG PRO 27 -8.043 10.316 -8.485 221 HG3 PRO 27 1HG PRO 27 -7.077 10.199 -9.967 222 HD2 PRO 27 2HD PRO 27 -7.966 8.008 -8.668 223 HD3 PRO 27 1HD PRO 27 -6.401 8.031 -9.508 224 H GLY 28 H GLY 28 -4.674 10.140 -4.706 225 HA2 GLY 28 2HA GLY 28 -5.386 11.244 -2.784 226 HA3 GLY 28 1HA GLY 28 -6.906 11.614 -3.587 227 H ASP 29 H ASP 29 -5.667 8.355 -3.424 228 HA ASP 29 HA ASP 29 -7.993 7.533 -1.850 229 HB2 ASP 29 2HB ASP 29 -7.086 6.444 -4.069 230 HB3 ASP 29 1HB ASP 29 -5.952 5.638 -2.994 231 H VAL 30 H VAL 30 -7.723 6.020 -0.037 232 HA VAL 30 HA VAL 30 -5.146 6.348 1.383 233 HB VAL 30 HB VAL 30 -7.904 6.259 2.645 234 HG11 VAL 30 1HG1 VAL 30 -6.183 5.227 4.053 235 HG12 VAL 30 2HG1 VAL 30 -6.753 6.743 4.748 236 HG13 VAL 30 3HG1 VAL 30 -5.195 6.682 3.923 237 HG21 VAL 30 3HG2 VAL 30 -7.471 8.605 3.269 238 HG22 VAL 30 1HG2 VAL 30 -7.534 8.383 1.521 239 HG23 VAL 30 2HG2 VAL 30 -5.978 8.570 2.330 240 H LEU 31 H LEU 31 -4.221 4.509 2.142 241 HA LEU 31 HA LEU 31 -5.839 2.042 2.188 242 HB2 LEU 31 2HB LEU 31 -3.002 2.316 1.176 243 HB3 LEU 31 1HB LEU 31 -3.829 0.791 1.422 244 HG LEU 31 HG LEU 31 -5.586 1.755 -0.255 245 HD11 LEU 31 1HD1 LEU 31 -3.182 3.438 -0.965 246 HD12 LEU 31 2HD1 LEU 31 -4.720 4.030 -0.338 247 HD13 LEU 31 3HD1 LEU 31 -4.652 3.271 -1.926 248 HD21 LEU 31 3HD2 LEU 31 -4.349 0.811 -2.126 249 HD22 LEU 31 1HD2 LEU 31 -4.163 -0.184 -0.683 250 HD23 LEU 31 2HD2 LEU 31 -2.854 0.882 -1.194 251 H VAL 32 H VAL 32 -5.848 1.059 4.090 252 HA VAL 32 HA VAL 32 -3.847 1.767 6.115 253 HB VAL 32 HB VAL 32 -6.370 0.113 6.420 254 HG11 VAL 32 1HG1 VAL 32 -4.728 -0.404 8.137 255 HG12 VAL 32 2HG1 VAL 32 -6.060 0.518 8.835 256 HG13 VAL 32 3HG1 VAL 32 -4.521 1.312 8.493 257 HG21 VAL 32 3HG2 VAL 32 -6.865 2.430 5.766 258 HG22 VAL 32 1HG2 VAL 32 -5.885 3.018 7.112 259 HG23 VAL 32 2HG2 VAL 32 -7.361 2.105 7.427 260 H VAL 33 H VAL 33 -2.134 0.496 6.431 261 HA VAL 33 HA VAL 33 -2.287 -2.335 5.587 262 HB VAL 33 HB VAL 33 0.154 -0.543 5.630 263 HG11 VAL 33 1HG1 VAL 33 0.712 -2.879 6.112 264 HG12 VAL 33 2HG1 VAL 33 1.310 -2.397 4.525 265 HG13 VAL 33 3HG1 VAL 33 -0.142 -3.390 4.654 266 HG21 VAL 33 3HG2 VAL 33 -1.382 0.061 3.830 267 HG22 VAL 33 1HG2 VAL 33 -1.436 -1.618 3.292 268 HG23 VAL 33 2HG2 VAL 33 0.068 -0.703 3.177 269 H SER 34 H SER 34 -2.667 -3.449 7.441 270 HA SER 34 HA SER 34 -1.574 -2.926 9.978 271 HB2 SER 34 2HB SER 34 -2.474 -5.567 8.786 272 HB3 SER 34 1HB SER 34 -2.133 -5.302 10.494 273 HG SER 34 HG SER 34 -3.778 -3.561 10.313 274 H ARG 35 H ARG 35 0.475 -3.107 10.719 275 HA ARG 35 HA ARG 35 2.530 -3.619 8.860 276 HB2 ARG 35 2HB ARG 35 4.082 -3.068 10.578 277 HB3 ARG 35 1HB ARG 35 2.682 -2.028 10.774 278 HG2 ARG 35 2HG ARG 35 1.878 -3.489 12.589 279 HG3 ARG 35 1HG ARG 35 3.339 -4.466 12.416 280 HD2 ARG 35 2HD ARG 35 3.124 -1.585 13.286 281 HD3 ARG 35 1HD ARG 35 3.713 -2.958 14.224 282 HE ARG 35 HE ARG 35 5.158 -2.006 11.833 283 HH11 ARG 35 1HH1 ARG 35 5.116 -2.829 15.181 284 HH12 ARG 35 2HH1 ARG 35 6.814 -2.581 15.370 285 HH21 ARG 35 1HH2 ARG 35 7.324 -1.669 12.091 286 HH22 ARG 35 2HH2 ARG 35 8.055 -1.937 13.639 287 H ALA 36 H ALA 36 0.839 -5.827 10.853 288 HA ALA 36 HA ALA 36 2.688 -7.900 11.148 289 HB1 ALA 36 3HB ALA 36 -0.255 -8.121 10.487 290 HB2 ALA 36 1HB ALA 36 0.435 -7.969 12.104 291 HB3 ALA 36 2HB ALA 36 0.757 -9.411 11.140 292 H ALA 37 H ALA 37 0.794 -6.901 8.341 293 HA ALA 37 HA ALA 37 1.621 -8.965 6.575 294 HB1 ALA 37 3HB ALA 37 0.730 -7.566 4.812 295 HB2 ALA 37 1HB ALA 37 0.707 -6.168 5.888 296 HB3 ALA 37 2HB ALA 37 -0.360 -7.538 6.196 297 H LEU 38 H LEU 38 2.965 -5.779 7.371 298 HA LEU 38 HA LEU 38 5.042 -5.742 5.464 299 HB2 LEU 38 2HB LEU 38 4.975 -4.531 8.236 300 HB3 LEU 38 1HB LEU 38 6.172 -4.156 7.009 301 HG LEU 38 HG LEU 38 3.207 -3.566 6.832 302 HD11 LEU 38 1HD1 LEU 38 5.568 -1.713 7.160 303 HD12 LEU 38 2HD1 LEU 38 4.378 -2.107 8.402 304 HD13 LEU 38 3HD1 LEU 38 3.885 -1.224 6.957 305 HD21 LEU 38 3HD2 LEU 38 5.429 -2.925 4.889 306 HD22 LEU 38 1HD2 LEU 38 3.758 -2.377 4.763 307 HD23 LEU 38 2HD2 LEU 38 4.133 -4.094 4.634 308 H GLN 39 H GLN 39 4.805 -7.215 8.671 309 HA GLN 39 HA GLN 39 7.442 -8.206 8.857 310 HB2 GLN 39 2HB GLN 39 4.858 -9.332 9.966 311 HB3 GLN 39 1HB GLN 39 6.459 -9.902 10.414 312 HG2 GLN 39 2HG GLN 39 6.998 -7.697 11.323 313 HG3 GLN 39 1HG GLN 39 5.404 -7.110 10.853 314 HE21 GLN 39 1HE2 GLN 39 7.150 -9.200 13.025 315 HE22 GLN 39 2HE2 GLN 39 5.875 -9.397 14.171 316 H ALA 40 H ALA 40 4.557 -9.476 7.257 317 HA ALA 40 HA ALA 40 5.667 -11.970 6.462 318 HB1 ALA 40 3HB ALA 40 3.791 -12.105 4.903 319 HB2 ALA 40 1HB ALA 40 3.425 -10.401 5.183 320 HB3 ALA 40 2HB ALA 40 3.255 -11.567 6.495 321 H LEU 41 H LEU 41 5.881 -8.741 5.154 322 HA LEU 41 HA LEU 41 7.154 -9.548 2.687 323 HB2 LEU 41 2HB LEU 41 7.066 -6.860 4.070 324 HB3 LEU 41 1HB LEU 41 7.677 -7.139 2.451 325 HG LEU 41 HG LEU 41 4.807 -7.578 3.313 326 HD11 LEU 41 1HD1 LEU 41 4.336 -5.569 1.963 327 HD12 LEU 41 2HD1 LEU 41 6.069 -5.322 1.747 328 HD13 LEU 41 3HD1 LEU 41 5.355 -5.218 3.357 329 HD21 LEU 41 3HD2 LEU 41 5.452 -9.042 1.478 330 HD22 LEU 41 1HD2 LEU 41 6.107 -7.669 0.586 331 HD23 LEU 41 2HD2 LEU 41 4.374 -7.771 0.899 332 H GLY 42 H GLY 42 8.158 -8.837 5.936 333 HA2 GLY 42 2HA GLY 42 10.215 -9.027 6.970 334 HA3 GLY 42 1HA GLY 42 10.878 -9.619 5.455 335 H VAL 43 H VAL 43 9.243 -6.535 6.000 336 HA VAL 43 HA VAL 43 11.050 -5.050 4.463 337 HB VAL 43 HB VAL 43 9.181 -4.022 6.613 338 HG11 VAL 43 1HG1 VAL 43 10.455 -2.593 4.273 339 HG12 VAL 43 2HG1 VAL 43 10.830 -2.346 5.979 340 HG13 VAL 43 3HG1 VAL 43 9.241 -1.908 5.354 341 HG21 VAL 43 3HG2 VAL 43 8.002 -5.367 4.945 342 HG22 VAL 43 1HG2 VAL 43 8.710 -4.400 3.649 343 HG23 VAL 43 2HG2 VAL 43 7.584 -3.660 4.789 344 H ALA 44 H ALA 44 12.901 -4.004 4.868 345 HA ALA 44 HA ALA 44 14.172 -4.228 7.470 346 HB1 ALA 44 3HB ALA 44 15.202 -2.936 4.942 347 HB2 ALA 44 1HB ALA 44 15.445 -4.623 5.394 348 HB3 ALA 44 2HB ALA 44 16.145 -3.336 6.378 349 H GLU 45 H GLU 45 14.978 -2.446 8.693 350 HA GLU 45 HA GLU 45 13.225 -0.381 9.208 351 HB2 GLU 45 2HB GLU 45 16.218 -0.370 9.677 352 HB3 GLU 45 1HB GLU 45 15.080 0.746 10.413 353 HG2 GLU 45 2HG GLU 45 15.359 -0.773 12.101 354 HG3 GLU 45 1HG GLU 45 13.938 -1.432 11.299 355 H GLY 46 H GLY 46 12.556 1.208 7.926 356 HA2 GLY 46 2HA GLY 46 13.340 3.334 6.818 357 HA3 GLY 46 1HA GLY 46 14.420 2.297 5.895 358 H GLY 47 H GLY 47 12.871 0.206 5.145 359 HA2 GLY 47 2HA GLY 47 11.361 1.217 2.987 360 HA3 GLY 47 1HA GLY 47 11.346 -0.445 3.550 361 H GLU 48 H GLU 48 10.428 0.385 6.241 362 HA GLU 48 HA GLU 48 7.666 0.121 5.987 363 HB2 GLU 48 2HB GLU 48 8.898 -0.387 8.036 364 HB3 GLU 48 1HB GLU 48 9.297 1.310 8.246 365 HG2 GLU 48 2HG GLU 48 6.931 1.826 8.586 366 HG3 GLU 48 1HG GLU 48 6.531 0.120 8.368 367 H ARG 49 H ARG 49 9.658 3.035 6.142 368 HA ARG 49 HA ARG 49 7.267 4.746 5.936 369 HB2 ARG 49 2HB ARG 49 8.749 6.613 6.453 370 HB3 ARG 49 1HB ARG 49 8.929 5.341 7.656 371 HG2 ARG 49 2HG ARG 49 10.992 4.605 6.616 372 HG3 ARG 49 1HG ARG 49 10.800 5.802 5.335 373 HD2 ARG 49 2HD ARG 49 10.942 7.597 7.017 374 HD3 ARG 49 1HD ARG 49 11.176 6.383 8.276 375 HE ARG 49 HE ARG 49 13.147 5.876 6.461 376 HH11 ARG 49 1HH1 ARG 49 12.181 8.666 8.243 377 HH12 ARG 49 2HH1 ARG 49 13.794 9.290 8.335 378 HH21 ARG 49 1HH2 ARG 49 15.212 6.704 6.598 379 HH22 ARG 49 2HH2 ARG 49 15.479 8.186 7.439 380 H CYS 50 H CYS 50 9.103 3.119 3.826 381 HA CYS 50 HA CYS 50 8.683 5.090 1.700 382 HB2 CYS 50 2HB CYS 50 11.341 3.717 2.177 383 HB3 CYS 50 1HB CYS 50 10.937 4.660 0.746 384 HG CYS 50 HG CYS 50 10.256 6.717 3.039 385 HA PRO 51 HA PRO 51 7.058 0.869 0.689 386 HB2 PRO 51 2HB PRO 51 5.167 1.863 -1.068 387 HB3 PRO 51 1HB PRO 51 4.906 1.625 0.661 388 HG2 PRO 51 2HG PRO 51 5.634 4.127 -0.819 389 HG3 PRO 51 1HG PRO 51 4.468 3.905 0.502 390 HD2 PRO 51 2HD PRO 51 6.894 4.942 0.960 391 HD3 PRO 51 1HD PRO 51 6.136 3.838 2.127 392 H GLN 52 H GLN 52 8.173 3.461 -1.401 393 HA GLN 52 HA GLN 52 8.240 2.168 -3.873 394 HB2 GLN 52 2HB GLN 52 9.993 3.763 -4.495 395 HB3 GLN 52 1HB GLN 52 8.709 4.563 -3.597 396 HG2 GLN 52 2HG GLN 52 10.066 4.595 -1.596 397 HG3 GLN 52 1HG GLN 52 11.327 3.659 -2.398 398 HE21 GLN 52 1HE2 GLN 52 12.888 5.237 -2.080 399 HE22 GLN 52 2HE2 GLN 52 12.888 6.732 -2.951 400 H SER 53 H SER 53 10.286 1.718 -1.083 401 HA SER 53 HA SER 53 12.400 0.366 -2.541 402 HB2 SER 53 2HB SER 53 12.846 1.736 -0.496 403 HB3 SER 53 1HB SER 53 11.980 0.534 0.459 404 HG SER 53 HG SER 53 14.455 0.466 0.104 405 H VAL 54 H VAL 54 9.385 -0.550 -1.281 406 HA VAL 54 HA VAL 54 10.164 -3.363 -0.932 407 HB VAL 54 HB VAL 54 7.481 -2.060 -0.409 408 HG11 VAL 54 1HG1 VAL 54 8.543 -4.779 0.375 409 HG12 VAL 54 2HG1 VAL 54 7.300 -4.454 -0.833 410 HG13 VAL 54 3HG1 VAL 54 6.990 -4.105 0.867 411 HG21 VAL 54 3HG2 VAL 54 9.171 -1.124 1.074 412 HG22 VAL 54 1HG2 VAL 54 9.698 -2.746 1.531 413 HG23 VAL 54 2HG2 VAL 54 8.087 -2.183 1.977 414 H GLY 55 H GLY 55 8.089 -1.295 -2.924 415 HA2 GLY 55 2HA GLY 55 7.548 -1.703 -5.183 416 HA3 GLY 55 1HA GLY 55 8.002 -3.387 -4.973 417 H TRP 56 H TRP 56 6.462 -4.869 -4.250 418 HA TRP 56 HA TRP 56 3.681 -3.969 -4.372 419 HB2 TRP 56 2HB TRP 56 3.105 -6.347 -4.540 420 HB3 TRP 56 1HB TRP 56 4.309 -5.913 -5.745 421 HD1 TRP 56 HD1 TRP 56 6.840 -6.850 -5.328 422 HE1 TRP 56 HE1 TRP 56 7.663 -8.927 -4.049 423 HE3 TRP 56 HE3 TRP 56 2.645 -7.822 -2.565 424 HZ2 TRP 56 HZ2 TRP 56 6.664 -10.738 -2.129 425 HZ3 TRP 56 HZ3 TRP 56 2.660 -9.748 -1.037 426 HH2 TRP 56 HH2 TRP 56 4.631 -11.178 -0.824 427 H MET 57 H MET 57 2.269 -4.057 -2.659 428 HA MET 57 HA MET 57 3.236 -5.114 -0.092 429 HB2 MET 57 2HB MET 57 2.179 -2.304 -0.493 430 HB3 MET 57 1HB MET 57 2.565 -3.037 1.059 431 HG2 MET 57 2HG MET 57 4.895 -3.154 0.493 432 HG3 MET 57 1HG MET 57 4.568 -2.613 -1.152 433 HE1 MET 57 3HE MET 57 2.885 -1.208 2.130 434 HE2 MET 57 1HE MET 57 4.006 0.086 2.555 435 HE3 MET 57 2HE MET 57 4.524 -1.596 2.652 436 HA PRO 58 HA PRO 58 -1.109 -6.339 0.087 437 HB2 PRO 58 2HB PRO 58 -0.972 -7.738 2.393 438 HB3 PRO 58 1HB PRO 58 -0.313 -8.365 0.877 439 HG2 PRO 58 2HG PRO 58 1.114 -7.045 3.160 440 HG3 PRO 58 1HG PRO 58 1.586 -8.476 2.225 441 HD2 PRO 58 2HD PRO 58 2.604 -5.980 1.783 442 HD3 PRO 58 1HD PRO 58 2.468 -7.217 0.518 443 H GLY 59 H GLY 59 -2.571 -4.790 0.631 444 HA2 GLY 59 2HA GLY 59 -2.781 -3.986 3.440 445 HA3 GLY 59 1HA GLY 59 -2.510 -2.698 2.277 446 H LEU 60 H LEU 60 -4.654 -2.215 3.566 447 HA LEU 60 HA LEU 60 -6.932 -3.302 2.031 448 HB2 LEU 60 2HB LEU 60 -7.078 -3.732 4.432 449 HB3 LEU 60 1HB LEU 60 -6.875 -2.023 4.771 450 HG LEU 60 HG LEU 60 -9.040 -1.562 3.641 451 HD11 LEU 60 1HD1 LEU 60 -10.545 -3.434 3.127 452 HD12 LEU 60 2HD1 LEU 60 -9.237 -4.570 3.461 453 HD13 LEU 60 3HD1 LEU 60 -9.104 -3.444 2.111 454 HD21 LEU 60 3HD2 LEU 60 -8.960 -1.857 6.065 455 HD22 LEU 60 1HD2 LEU 60 -9.193 -3.595 5.874 456 HD23 LEU 60 2HD2 LEU 60 -10.472 -2.475 5.403 457 H ASN 61 H ASN 61 -7.618 -1.982 0.480 458 HA ASN 61 HA ASN 61 -7.084 0.848 0.457 459 HB2 ASN 61 2HB ASN 61 -7.109 -0.462 -1.614 460 HB3 ASN 61 1HB ASN 61 -8.799 -0.882 -1.349 461 HD21 ASN 61 1HD2 ASN 61 -6.592 1.603 -2.312 462 HD22 ASN 61 2HD2 ASN 61 -7.782 2.696 -2.923 463 H GLU 62 H GLU 62 -8.472 2.525 0.996 464 HA GLU 62 HA GLU 62 -10.819 1.801 2.540 465 HB2 GLU 62 2HB GLU 62 -9.434 4.435 2.045 466 HB3 GLU 62 1HB GLU 62 -10.923 4.309 2.970 467 HG2 GLU 62 2HG GLU 62 -8.351 2.889 3.650 468 HG3 GLU 62 1HG GLU 62 -8.888 4.406 4.372 469 H ARG 63 H ARG 63 -10.189 3.530 -0.511 470 HA ARG 63 HA ARG 63 -12.812 4.592 -0.764 471 HB2 ARG 63 2HB ARG 63 -10.759 5.438 -1.939 472 HB3 ARG 63 1HB ARG 63 -10.854 4.043 -3.005 473 HG2 ARG 63 2HG ARG 63 -13.033 4.779 -3.808 474 HG3 ARG 63 1HG ARG 63 -12.985 6.155 -2.705 475 HD2 ARG 63 2HD ARG 63 -10.901 6.918 -3.877 476 HD3 ARG 63 1HD ARG 63 -11.163 5.629 -5.056 477 HE ARG 63 HE ARG 63 -13.420 7.381 -4.688 478 HH11 ARG 63 1HH1 ARG 63 -10.514 6.867 -6.450 479 HH12 ARG 63 2HH1 ARG 63 -11.019 7.855 -7.776 480 HH21 ARG 63 1HH2 ARG 63 -14.044 8.653 -6.391 481 HH22 ARG 63 2HH2 ARG 63 -12.977 8.849 -7.742 482 H THR 64 H THR 64 -11.422 1.519 -1.698 483 HA THR 64 HA THR 64 -13.985 0.731 -2.956 484 HB THR 64 HB THR 64 -12.784 -0.965 -4.212 485 HG1 THR 64 HG1 THR 64 -10.260 -0.055 -3.432 486 HG21 THR 64 3HG2 THR 64 -11.373 1.708 -4.390 487 HG22 THR 64 1HG2 THR 64 -12.873 1.272 -5.210 488 HG23 THR 64 2HG2 THR 64 -11.367 0.458 -5.634 489 H ARG 65 H ARG 65 -11.629 -0.051 -0.509 490 HA ARG 65 HA ARG 65 -11.516 -1.571 1.145 491 HB2 ARG 65 2HB ARG 65 -14.464 -1.511 0.639 492 HB3 ARG 65 1HB ARG 65 -13.813 -2.719 1.741 493 HG2 ARG 65 2HG ARG 65 -13.393 0.262 1.991 494 HG3 ARG 65 1HG ARG 65 -14.557 -0.690 2.918 495 HD2 ARG 65 2HD ARG 65 -12.794 -1.941 3.972 496 HD3 ARG 65 1HD ARG 65 -11.584 -1.224 2.913 497 HE ARG 65 HE ARG 65 -11.712 0.768 4.140 498 HH11 ARG 65 1HH1 ARG 65 -13.794 -1.664 5.426 499 HH12 ARG 65 2HH1 ARG 65 -13.931 -0.877 6.960 500 HH21 ARG 65 1HH2 ARG 65 -11.874 1.747 6.095 501 HH22 ARG 65 2HH2 ARG 65 -12.849 1.042 7.340 502 H GLN 66 H GLN 66 -11.075 -2.382 -1.640 503 HA GLN 66 HA GLN 66 -11.594 -5.252 -1.539 504 HB2 GLN 66 2HB GLN 66 -10.258 -3.467 -3.578 505 HB3 GLN 66 1HB GLN 66 -10.256 -5.221 -3.716 506 HG2 GLN 66 2HG GLN 66 -12.745 -3.526 -3.550 507 HG3 GLN 66 1HG GLN 66 -12.025 -4.109 -5.051 508 HE21 GLN 66 1HE2 GLN 66 -14.656 -4.651 -3.857 509 HE22 GLN 66 2HE2 GLN 66 -14.754 -6.369 -3.713 510 H ARG 67 H ARG 67 -10.045 -6.826 -1.239 511 HA ARG 67 HA ARG 67 -7.516 -5.940 -0.050 512 HB2 ARG 67 2HB ARG 67 -9.203 -8.380 0.188 513 HB3 ARG 67 1HB ARG 67 -7.467 -8.602 0.357 514 HG2 ARG 67 2HG ARG 67 -9.050 -6.601 1.966 515 HG3 ARG 67 1HG ARG 67 -8.708 -8.249 2.503 516 HD2 ARG 67 2HD ARG 67 -6.634 -6.161 1.798 517 HD3 ARG 67 1HD ARG 67 -7.109 -6.628 3.434 518 HE ARG 67 HE ARG 67 -6.269 -8.906 2.832 519 HH11 ARG 67 1HH1 ARG 67 -5.009 -6.113 1.239 520 HH12 ARG 67 2HH1 ARG 67 -3.562 -6.927 0.761 521 HH21 ARG 67 1HH2 ARG 67 -4.403 -9.897 2.264 522 HH22 ARG 67 2HH2 ARG 67 -3.217 -9.047 1.329 523 H GLY 68 H GLY 68 -5.577 -7.309 -0.476 524 HA2 GLY 68 2HA GLY 68 -4.705 -8.854 -2.357 525 HA3 GLY 68 1HA GLY 68 -5.258 -7.546 -3.395 526 H ASP 69 H ASP 69 -2.931 -7.606 -4.034 527 HA ASP 69 HA ASP 69 -1.208 -6.132 -2.145 528 HB2 ASP 69 2HB ASP 69 -0.384 -7.648 -4.635 529 HB3 ASP 69 1HB ASP 69 0.684 -6.969 -3.408 530 H PHE 70 H PHE 70 -0.547 -4.096 -2.627 531 HA PHE 70 HA PHE 70 -1.169 -3.045 -5.318 532 HB2 PHE 70 2HB PHE 70 -1.665 -0.889 -4.340 533 HB3 PHE 70 1HB PHE 70 -2.632 -2.114 -3.532 534 HD1 PHE 70 HD1 PHE 70 -2.136 -2.758 -1.204 535 HD2 PHE 70 HD2 PHE 70 0.026 0.357 -3.155 536 HE1 PHE 70 HE1 PHE 70 -1.307 -1.968 0.975 537 HE2 PHE 70 HE2 PHE 70 0.859 1.143 -0.978 538 HZ PHE 70 HZ PHE 70 0.194 -0.020 1.091 539 HA PRO 71 HA PRO 71 3.141 -1.914 -5.560 540 HB2 PRO 71 2HB PRO 71 3.038 -0.054 -7.522 541 HB3 PRO 71 1HB PRO 71 2.797 -1.777 -7.839 542 HG2 PRO 71 2HG PRO 71 0.757 0.398 -7.529 543 HG3 PRO 71 1HG PRO 71 0.814 -0.923 -8.711 544 HD2 PRO 71 2HD PRO 71 -0.748 -0.978 -6.470 545 HD3 PRO 71 1HD PRO 71 -0.103 -2.440 -7.245 546 H GLY 72 H GLY 72 3.769 -0.898 -3.701 547 HA2 GLY 72 2HA GLY 72 2.689 1.446 -2.612 548 HA3 GLY 72 1HA GLY 72 4.246 0.759 -2.190 549 H THR 73 H THR 73 4.873 1.192 -5.241 550 HA THR 73 HA THR 73 6.375 3.552 -4.924 551 HB THR 73 HB THR 73 7.158 2.033 -6.555 552 HG1 THR 73 HG1 THR 73 7.156 4.416 -7.107 553 HG21 THR 73 3HG2 THR 73 4.509 2.327 -7.981 554 HG22 THR 73 1HG2 THR 73 5.053 0.910 -7.084 555 HG23 THR 73 2HG2 THR 73 5.891 1.395 -8.560 556 H TYR 74 H TYR 74 3.031 3.199 -5.718 557 HA TYR 74 HA TYR 74 2.921 5.912 -6.864 558 HB2 TYR 74 2HB TYR 74 0.742 3.816 -6.680 559 HB3 TYR 74 1HB TYR 74 0.605 5.369 -7.493 560 HD1 TYR 74 HD2 TYR 74 1.932 5.790 -9.578 561 HD2 TYR 74 HD1 TYR 74 1.782 1.953 -7.742 562 HE1 TYR 74 HE2 TYR 74 2.754 4.764 -11.660 563 HE2 TYR 74 HE1 TYR 74 2.605 0.919 -9.813 564 HH TYR 74 HH TYR 74 2.677 1.404 -12.213 565 H VAL 75 H VAL 75 2.908 4.727 -3.830 566 HA VAL 75 HA VAL 75 0.851 6.636 -2.888 567 HB VAL 75 HB VAL 75 0.389 5.250 -0.975 568 HG11 VAL 75 1HG1 VAL 75 -0.598 3.277 -2.031 569 HG12 VAL 75 2HG1 VAL 75 0.370 3.561 -3.478 570 HG13 VAL 75 3HG1 VAL 75 -0.866 4.725 -3.001 571 HG21 VAL 75 3HG2 VAL 75 2.499 3.356 -2.012 572 HG22 VAL 75 1HG2 VAL 75 1.427 3.044 -0.648 573 HG23 VAL 75 2HG2 VAL 75 2.610 4.348 -0.559 574 H GLU 76 H GLU 76 1.241 7.653 -0.815 575 HA GLU 76 HA GLU 76 4.103 7.838 -0.095 576 HB2 GLU 76 2HB GLU 76 3.685 10.068 0.723 577 HB3 GLU 76 1HB GLU 76 3.042 9.947 -0.908 578 HG2 GLU 76 2HG GLU 76 0.787 9.720 -0.038 579 HG3 GLU 76 1HG GLU 76 1.399 9.747 1.615 580 H PHE 77 H PHE 77 4.668 7.922 2.149 581 HA PHE 77 HA PHE 77 2.929 6.332 3.839 582 HB2 PHE 77 2HB PHE 77 5.326 5.853 3.804 583 HB3 PHE 77 1HB PHE 77 5.685 7.489 4.345 584 HD1 PHE 77 HD2 PHE 77 3.793 4.444 5.392 585 HD2 PHE 77 HD1 PHE 77 5.997 7.880 6.610 586 HE1 PHE 77 HE2 PHE 77 3.695 3.679 7.724 587 HE2 PHE 77 HE1 PHE 77 5.894 7.117 8.945 588 HZ PHE 77 HZ PHE 77 4.742 5.016 9.506 589 H LEU 78 H LEU 78 1.265 7.391 4.783 590 HA LEU 78 HA LEU 78 1.374 10.150 5.541 591 HB2 LEU 78 2HB LEU 78 -0.623 8.007 6.294 592 HB3 LEU 78 1HB LEU 78 -0.837 9.727 6.563 593 HG LEU 78 HG LEU 78 -0.621 8.392 3.857 594 HD11 LEU 78 1HD1 LEU 78 -3.008 9.568 5.285 595 HD12 LEU 78 2HD1 LEU 78 -2.718 7.855 4.969 596 HD13 LEU 78 3HD1 LEU 78 -2.991 8.966 3.627 597 HD21 LEU 78 3HD2 LEU 78 0.288 10.642 3.797 598 HD22 LEU 78 1HD2 LEU 78 -1.152 11.272 4.599 599 HD23 LEU 78 2HD2 LEU 78 -1.271 10.597 2.974 600 H GLY 79 H GLY 79 1.190 7.138 7.452 601 HA2 GLY 79 2HA GLY 79 3.064 7.370 9.299 602 HA3 GLY 79 1HA GLY 79 1.956 8.607 9.870 603 HA PRO 80 HA PRO 80 0.576 4.529 11.714 604 HB2 PRO 80 2HB PRO 80 1.228 5.593 14.337 605 HB3 PRO 80 1HB PRO 80 1.892 4.172 13.530 606 HG2 PRO 80 2HG PRO 80 3.340 6.440 14.031 607 HG3 PRO 80 1HG PRO 80 3.688 5.324 12.698 608 HD2 PRO 80 2HD PRO 80 2.217 7.944 12.642 609 HD3 PRO 80 1HD PRO 80 3.415 7.297 11.496 610 H LEU 81 H LEU 81 -1.251 4.223 13.234 611 HA LEU 81 HA LEU 81 -2.773 6.696 13.747 612 HB2 LEU 81 2HB LEU 81 -4.859 5.345 13.255 613 HB3 LEU 81 1HB LEU 81 -3.865 5.792 11.884 614 HG LEU 81 HG LEU 81 -2.876 3.449 11.970 615 HD11 LEU 81 1HD1 LEU 81 -5.216 2.965 13.816 616 HD12 LEU 81 2HD1 LEU 81 -3.507 2.825 14.228 617 HD13 LEU 81 3HD1 LEU 81 -4.224 1.714 13.063 618 HD21 LEU 81 3HD2 LEU 81 -4.750 2.459 10.777 619 HD22 LEU 81 1HD2 LEU 81 -4.536 4.146 10.314 620 HD23 LEU 81 2HD2 LEU 81 -5.836 3.693 11.418 621 H GLU 82 H GLU 82 -4.314 6.613 15.493 622 HA GLU 82 HA GLU 82 -3.679 4.603 17.561 623 HB2 GLU 82 2HB GLU 82 -4.964 7.339 17.795 624 HB3 GLU 82 1HB GLU 82 -4.756 6.228 19.140 625 HG2 GLU 82 2HG GLU 82 -2.510 7.407 17.506 626 HG3 GLU 82 1HG GLU 82 -3.053 8.005 19.074 Start of MODEL 5 1 H1 MET 1 1H MET 1 -1.853 0.994 25.053 2 H2 MET 1 2H MET 1 -0.947 1.855 26.193 3 H3 MET 1 3H MET 1 -0.196 0.692 25.222 4 HA MET 1 HA MET 1 -1.427 3.210 24.260 5 HB2 MET 1 2HB MET 1 1.475 2.412 24.591 6 HB3 MET 1 1HB MET 1 0.939 3.833 23.704 7 HG2 MET 1 2HG MET 1 -0.025 4.768 25.726 8 HG3 MET 1 1HG MET 1 0.434 3.325 26.632 9 HE1 MET 1 3HE MET 1 3.329 2.657 25.503 10 HE2 MET 1 1HE MET 1 2.901 2.657 27.215 11 HE3 MET 1 2HE MET 1 4.323 3.540 26.662 12 H ALA 2 H ALA 2 -1.396 3.535 22.034 13 HA ALA 2 HA ALA 2 -1.120 1.098 20.435 14 HB1 ALA 2 3HB ALA 2 -3.202 2.387 20.267 15 HB2 ALA 2 1HB ALA 2 -2.361 2.304 18.717 16 HB3 ALA 2 2HB ALA 2 -2.293 3.779 19.681 17 H GLY 3 H GLY 3 0.969 0.779 19.814 18 HA2 GLY 3 2HA GLY 3 2.696 2.964 19.046 19 HA3 GLY 3 1HA GLY 3 3.089 1.255 18.995 20 HA PRO 4 HA PRO 4 2.480 2.870 14.629 21 HB2 PRO 4 2HB PRO 4 4.913 2.261 13.647 22 HB3 PRO 4 1HB PRO 4 4.626 3.734 14.583 23 HG2 PRO 4 2HG PRO 4 5.769 1.109 15.496 24 HG3 PRO 4 1HG PRO 4 6.365 2.752 15.807 25 HD2 PRO 4 2HD PRO 4 4.880 1.367 17.612 26 HD3 PRO 4 1HD PRO 4 4.805 3.135 17.471 27 H GLU 5 H GLU 5 1.619 0.293 15.739 28 HA GLU 5 HA GLU 5 2.560 -1.891 14.233 29 HB2 GLU 5 2HB GLU 5 -0.071 -1.371 15.610 30 HB3 GLU 5 1HB GLU 5 0.241 -2.870 14.749 31 HG2 GLU 5 2HG GLU 5 1.794 -1.814 17.107 32 HG3 GLU 5 1HG GLU 5 0.627 -3.136 17.127 33 H GLY 6 H GLY 6 0.305 0.646 13.394 34 HA2 GLY 6 2HA GLY 6 -0.034 -0.626 10.739 35 HA3 GLY 6 1HA GLY 6 -1.368 0.169 11.559 36 H PHE 7 H PHE 7 -0.060 0.729 8.941 37 HA PHE 7 HA PHE 7 0.620 3.564 9.425 38 HB2 PHE 7 2HB PHE 7 1.869 1.713 7.381 39 HB3 PHE 7 1HB PHE 7 2.173 3.443 7.492 40 HD1 PHE 7 HD1 PHE 7 3.098 4.312 9.751 41 HD2 PHE 7 HD2 PHE 7 3.227 0.229 8.546 42 HE1 PHE 7 HE1 PHE 7 4.921 3.898 11.351 43 HE2 PHE 7 HE2 PHE 7 5.046 -0.189 10.142 44 HZ PHE 7 HZ PHE 7 5.895 1.647 11.549 45 H GLN 8 H GLN 8 0.167 5.016 7.660 46 HA GLN 8 HA GLN 8 -2.081 4.130 5.961 47 HB2 GLN 8 2HB GLN 8 -1.462 6.907 7.006 48 HB3 GLN 8 1HB GLN 8 -2.810 6.491 5.956 49 HG2 GLN 8 2HG GLN 8 -3.727 5.052 7.714 50 HG3 GLN 8 1HG GLN 8 -2.384 5.494 8.767 51 HE21 GLN 8 1HE2 GLN 8 -5.248 5.898 9.141 52 HE22 GLN 8 2HE2 GLN 8 -5.467 7.595 9.356 53 H TYR 9 H TYR 9 -1.760 4.137 3.839 54 HA TYR 9 HA TYR 9 0.372 5.830 2.688 55 HB2 TYR 9 2HB TYR 9 -0.881 3.283 1.616 56 HB3 TYR 9 1HB TYR 9 0.321 4.247 0.761 57 HD1 TYR 9 HD1 TYR 9 -0.250 2.069 3.697 58 HD2 TYR 9 HD2 TYR 9 2.657 4.102 1.335 59 HE1 TYR 9 HE1 TYR 9 1.543 0.830 4.835 60 HE2 TYR 9 HE2 TYR 9 4.450 2.865 2.472 61 HH TYR 9 HH TYR 9 3.846 0.157 4.447 62 H ARG 10 H ARG 10 -0.135 6.675 0.447 63 HA ARG 10 HA ARG 10 -3.017 7.209 0.115 64 HB2 ARG 10 2HB ARG 10 -1.952 9.098 1.306 65 HB3 ARG 10 1HB ARG 10 -0.837 9.299 -0.035 66 HG2 ARG 10 2HG ARG 10 -2.752 9.804 -1.516 67 HG3 ARG 10 1HG ARG 10 -3.827 9.681 -0.120 68 HD2 ARG 10 2HD ARG 10 -2.592 11.502 0.977 69 HD3 ARG 10 1HD ARG 10 -1.533 11.626 -0.425 70 HE ARG 10 HE ARG 10 -4.423 12.216 -0.492 71 HH11 ARG 10 1HH1 ARG 10 -1.183 12.832 -1.514 72 HH12 ARG 10 2HH1 ARG 10 -1.644 14.208 -2.459 73 HH21 ARG 10 1HH2 ARG 10 -4.983 13.970 -1.724 74 HH22 ARG 10 2HH2 ARG 10 -3.755 14.849 -2.572 75 H ALA 11 H ALA 11 -3.695 6.766 -1.862 76 HA ALA 11 HA ALA 11 -1.879 6.231 -4.031 77 HB1 ALA 11 3HB ALA 11 -3.956 4.940 -3.695 78 HB2 ALA 11 1HB ALA 11 -3.878 5.673 -5.299 79 HB3 ALA 11 2HB ALA 11 -4.897 6.389 -4.050 80 H LEU 12 H LEU 12 -1.130 7.687 -5.461 81 HA LEU 12 HA LEU 12 -1.874 10.439 -5.305 82 HB2 LEU 12 2HB LEU 12 -0.164 9.023 -7.359 83 HB3 LEU 12 1HB LEU 12 -0.238 10.758 -7.109 84 HG LEU 12 HG LEU 12 0.782 8.745 -5.091 85 HD11 LEU 12 1HD1 LEU 12 2.985 9.688 -5.549 86 HD12 LEU 12 2HD1 LEU 12 2.293 10.719 -6.802 87 HD13 LEU 12 3HD1 LEU 12 2.283 8.966 -6.996 88 HD21 LEU 12 3HD2 LEU 12 1.541 10.729 -3.839 89 HD22 LEU 12 1HD2 LEU 12 -0.216 10.662 -3.986 90 HD23 LEU 12 2HD2 LEU 12 0.712 11.766 -5.003 91 H TYR 13 H TYR 13 -2.056 8.165 -8.054 92 HA TYR 13 HA TYR 13 -4.417 9.628 -9.052 93 HB2 TYR 13 2HB TYR 13 -2.041 8.621 -10.642 94 HB3 TYR 13 1HB TYR 13 -3.564 9.104 -11.384 95 HD1 TYR 13 HD1 TYR 13 -4.266 11.457 -11.382 96 HD2 TYR 13 HD2 TYR 13 -0.510 10.282 -9.754 97 HE1 TYR 13 HE1 TYR 13 -3.522 13.800 -11.426 98 HE2 TYR 13 HE2 TYR 13 0.245 12.620 -9.795 99 HH TYR 13 HH TYR 13 -0.235 14.699 -10.868 100 HA PRO 14 HA PRO 14 -6.524 5.775 -9.354 101 HB2 PRO 14 2HB PRO 14 -7.746 5.843 -11.817 102 HB3 PRO 14 1HB PRO 14 -8.322 6.725 -10.395 103 HG2 PRO 14 2HG PRO 14 -6.679 7.705 -12.705 104 HG3 PRO 14 1HG PRO 14 -8.023 8.504 -11.867 105 HD2 PRO 14 2HD PRO 14 -5.444 9.155 -11.389 106 HD3 PRO 14 1HD PRO 14 -6.678 9.204 -10.114 107 H PHE 15 H PHE 15 -6.013 3.719 -9.784 108 HA PHE 15 HA PHE 15 -4.363 3.089 -12.143 109 HB2 PHE 15 2HB PHE 15 -2.773 3.323 -10.361 110 HB3 PHE 15 1HB PHE 15 -3.772 2.384 -9.260 111 HD1 PHE 15 HD1 PHE 15 -1.684 2.152 -12.316 112 HD2 PHE 15 HD2 PHE 15 -3.555 0.036 -9.122 113 HE1 PHE 15 HE1 PHE 15 -0.453 0.118 -12.944 114 HE2 PHE 15 HE2 PHE 15 -2.326 -2.001 -9.751 115 HZ PHE 15 HZ PHE 15 -0.773 -1.961 -11.663 116 H ARG 16 H ARG 16 -5.026 1.336 -13.217 117 HA ARG 16 HA ARG 16 -6.460 -0.803 -11.782 118 HB2 ARG 16 2HB ARG 16 -8.176 0.501 -12.912 119 HB3 ARG 16 1HB ARG 16 -7.286 0.421 -14.427 120 HG2 ARG 16 2HG ARG 16 -7.612 -2.011 -14.491 121 HG3 ARG 16 1HG ARG 16 -8.513 -1.927 -12.976 122 HD2 ARG 16 2HD ARG 16 -10.018 -2.052 -14.899 123 HD3 ARG 16 1HD ARG 16 -10.201 -0.523 -14.042 124 HE ARG 16 HE ARG 16 -8.358 -0.206 -16.150 125 HH11 ARG 16 1HH1 ARG 16 -11.722 -0.754 -15.654 126 HH12 ARG 16 2HH1 ARG 16 -12.184 0.117 -17.075 127 HH21 ARG 16 1HH2 ARG 16 -8.956 0.893 -17.977 128 HH22 ARG 16 2HH2 ARG 16 -10.635 1.051 -18.373 129 H ARG 17 H ARG 17 -5.972 -2.877 -12.442 130 HA ARG 17 HA ARG 17 -3.910 -3.145 -14.544 131 HB2 ARG 17 2HB ARG 17 -3.352 -3.901 -12.201 132 HB3 ARG 17 1HB ARG 17 -4.607 -5.122 -12.353 133 HG2 ARG 17 2HG ARG 17 -2.659 -6.289 -12.844 134 HG3 ARG 17 1HG ARG 17 -3.309 -5.906 -14.438 135 HD2 ARG 17 2HD ARG 17 -0.998 -5.428 -14.563 136 HD3 ARG 17 1HD ARG 17 -1.787 -3.859 -14.404 137 HE ARG 17 HE ARG 17 -1.164 -4.718 -11.844 138 HH11 ARG 17 1HH1 ARG 17 0.562 -3.853 -14.702 139 HH12 ARG 17 2HH1 ARG 17 1.967 -3.370 -13.824 140 HH21 ARG 17 1HH2 ARG 17 0.625 -4.124 -10.747 141 HH22 ARG 17 2HH2 ARG 17 2.008 -3.519 -11.602 142 H GLU 18 H GLU 18 -4.016 -5.230 -15.821 143 HA GLU 18 HA GLU 18 -6.599 -5.741 -16.904 144 HB2 GLU 18 2HB GLU 18 -4.082 -7.401 -17.192 145 HB3 GLU 18 1HB GLU 18 -5.497 -7.463 -18.237 146 HG2 GLU 18 2HG GLU 18 -3.681 -5.080 -17.893 147 HG3 GLU 18 1HG GLU 18 -3.637 -6.218 -19.236 148 H ARG 19 H ARG 19 -5.109 -6.863 -14.105 149 HA ARG 19 HA ARG 19 -7.160 -8.937 -13.747 150 HB2 ARG 19 2HB ARG 19 -4.207 -9.208 -13.124 151 HB3 ARG 19 1HB ARG 19 -5.431 -10.289 -12.475 152 HG2 ARG 19 2HG ARG 19 -4.917 -9.878 -15.418 153 HG3 ARG 19 1HG ARG 19 -4.224 -11.182 -14.453 154 HD2 ARG 19 2HD ARG 19 -7.165 -10.679 -14.934 155 HD3 ARG 19 1HD ARG 19 -6.194 -11.960 -15.662 156 HE ARG 19 HE ARG 19 -5.854 -12.642 -13.191 157 HH11 ARG 19 1HH1 ARG 19 -8.745 -11.365 -14.546 158 HH12 ARG 19 2HH1 ARG 19 -9.765 -12.139 -13.390 159 HH21 ARG 19 1HH2 ARG 19 -7.154 -13.619 -11.707 160 HH22 ARG 19 2HH2 ARG 19 -8.868 -13.392 -11.781 161 HA PRO 20 HA PRO 20 -7.755 -6.616 -9.968 162 HB2 PRO 20 2HB PRO 20 -9.411 -8.307 -8.655 163 HB3 PRO 20 1HB PRO 20 -9.932 -7.380 -10.067 164 HG2 PRO 20 2HG PRO 20 -9.038 -10.242 -9.912 165 HG3 PRO 20 1HG PRO 20 -10.426 -9.552 -10.775 166 HD2 PRO 20 2HD PRO 20 -8.084 -10.162 -12.015 167 HD3 PRO 20 1HD PRO 20 -9.127 -8.827 -12.544 168 H GLU 21 H GLU 21 -5.808 -9.258 -10.211 169 HA GLU 21 HA GLU 21 -5.374 -10.081 -7.556 170 HB2 GLU 21 2HB GLU 21 -3.189 -9.917 -9.637 171 HB3 GLU 21 1HB GLU 21 -3.365 -11.080 -8.330 172 HG2 GLU 21 2HG GLU 21 -4.954 -10.912 -10.879 173 HG3 GLU 21 1HG GLU 21 -3.877 -12.202 -10.354 174 H ASP 22 H ASP 22 -4.329 -7.274 -9.324 175 HA ASP 22 HA ASP 22 -2.588 -6.250 -7.259 176 HB2 ASP 22 2HB ASP 22 -3.858 -4.897 -9.663 177 HB3 ASP 22 1HB ASP 22 -2.612 -4.187 -8.642 178 H LEU 23 H LEU 23 -3.539 -3.541 -7.212 179 HA LEU 23 HA LEU 23 -6.215 -3.758 -5.991 180 HB2 LEU 23 2HB LEU 23 -4.492 -3.775 -4.220 181 HB3 LEU 23 1HB LEU 23 -3.862 -2.255 -4.825 182 HG LEU 23 HG LEU 23 -5.962 -1.127 -4.224 183 HD11 LEU 23 1HD1 LEU 23 -7.507 -2.989 -4.524 184 HD12 LEU 23 2HD1 LEU 23 -7.672 -2.289 -2.915 185 HD13 LEU 23 3HD1 LEU 23 -6.808 -3.812 -3.128 186 HD21 LEU 23 3HD2 LEU 23 -5.738 -1.272 -1.782 187 HD22 LEU 23 1HD2 LEU 23 -4.170 -1.181 -2.583 188 HD23 LEU 23 2HD2 LEU 23 -4.755 -2.726 -1.963 189 H GLU 24 H GLU 24 -7.570 -2.447 -7.043 190 HA GLU 24 HA GLU 24 -6.816 -0.355 -8.763 191 HB2 GLU 24 2HB GLU 24 -9.433 -1.099 -7.470 192 HB3 GLU 24 1HB GLU 24 -9.297 0.344 -8.463 193 HG2 GLU 24 2HG GLU 24 -10.177 -1.520 -9.744 194 HG3 GLU 24 1HG GLU 24 -8.616 -1.003 -10.369 195 H LEU 25 H LEU 25 -6.076 1.605 -8.335 196 HA LEU 25 HA LEU 25 -6.408 2.721 -5.636 197 HB2 LEU 25 2HB LEU 25 -4.503 3.558 -7.830 198 HB3 LEU 25 1HB LEU 25 -4.523 4.176 -6.188 199 HG LEU 25 HG LEU 25 -3.829 1.350 -7.018 200 HD11 LEU 25 1HD1 LEU 25 -2.088 2.979 -7.547 201 HD12 LEU 25 2HD1 LEU 25 -1.586 1.912 -6.235 202 HD13 LEU 25 3HD1 LEU 25 -2.113 3.559 -5.880 203 HD21 LEU 25 3HD2 LEU 25 -3.875 2.598 -4.265 204 HD22 LEU 25 1HD2 LEU 25 -3.276 0.985 -4.658 205 HD23 LEU 25 2HD2 LEU 25 -4.985 1.366 -4.866 206 H LEU 26 H LEU 26 -7.275 4.739 -5.257 207 HA LEU 26 HA LEU 26 -8.534 6.115 -7.547 208 HB2 LEU 26 2HB LEU 26 -9.356 5.811 -4.670 209 HB3 LEU 26 1HB LEU 26 -9.936 7.176 -5.602 210 HG LEU 26 HG LEU 26 -11.577 5.345 -5.530 211 HD11 LEU 26 1HD1 LEU 26 -12.047 5.222 -7.919 212 HD12 LEU 26 2HD1 LEU 26 -10.414 5.786 -8.278 213 HD13 LEU 26 3HD1 LEU 26 -11.553 6.847 -7.448 214 HD21 LEU 26 3HD2 LEU 26 -11.186 3.236 -6.643 215 HD22 LEU 26 1HD2 LEU 26 -9.967 3.470 -5.389 216 HD23 LEU 26 2HD2 LEU 26 -9.550 3.733 -7.085 217 HA PRO 27 HA PRO 27 -5.846 9.543 -7.045 218 HB2 PRO 27 2HB PRO 27 -7.480 11.662 -7.652 219 HB3 PRO 27 1HB PRO 27 -6.806 10.558 -8.856 220 HG2 PRO 27 2HG PRO 27 -9.527 10.559 -7.596 221 HG3 PRO 27 1HG PRO 27 -9.078 10.298 -9.294 222 HD2 PRO 27 2HD PRO 27 -9.678 8.244 -7.657 223 HD3 PRO 27 1HD PRO 27 -8.440 8.095 -8.921 224 H GLY 28 H GLY 28 -5.224 9.805 -4.958 225 HA2 GLY 28 2HA GLY 28 -4.983 11.093 -3.042 226 HA3 GLY 28 1HA GLY 28 -6.476 11.925 -3.436 227 H ASP 29 H ASP 29 -6.157 8.411 -3.104 228 HA ASP 29 HA ASP 29 -8.034 8.543 -0.832 229 HB2 ASP 29 2HB ASP 29 -8.748 7.317 -2.886 230 HB3 ASP 29 1HB ASP 29 -7.424 6.182 -2.629 231 H VAL 30 H VAL 30 -7.812 6.897 0.885 232 HA VAL 30 HA VAL 30 -4.980 6.622 1.638 233 HB VAL 30 HB VAL 30 -7.440 6.483 3.399 234 HG11 VAL 30 1HG1 VAL 30 -5.572 5.208 4.323 235 HG12 VAL 30 2HG1 VAL 30 -5.859 6.668 5.269 236 HG13 VAL 30 3HG1 VAL 30 -4.509 6.605 4.136 237 HG21 VAL 30 3HG2 VAL 30 -6.799 8.711 4.177 238 HG22 VAL 30 1HG2 VAL 30 -7.115 8.718 2.443 239 HG23 VAL 30 2HG2 VAL 30 -5.454 8.734 3.035 240 H LEU 31 H LEU 31 -4.033 4.707 1.881 241 HA LEU 31 HA LEU 31 -5.667 2.246 1.921 242 HB2 LEU 31 2HB LEU 31 -2.804 2.673 1.030 243 HB3 LEU 31 1HB LEU 31 -3.559 1.100 1.182 244 HG LEU 31 HG LEU 31 -5.238 1.830 -0.558 245 HD11 LEU 31 1HD1 LEU 31 -3.314 4.128 -0.913 246 HD12 LEU 31 2HD1 LEU 31 -4.986 4.239 -0.360 247 HD13 LEU 31 3HD1 LEU 31 -4.637 3.708 -2.004 248 HD21 LEU 31 3HD2 LEU 31 -3.725 1.439 -2.423 249 HD22 LEU 31 1HD2 LEU 31 -3.331 0.377 -1.072 250 HD23 LEU 31 2HD2 LEU 31 -2.336 1.798 -1.397 251 H VAL 32 H VAL 32 -5.632 1.027 3.741 252 HA VAL 32 HA VAL 32 -3.756 1.765 5.877 253 HB VAL 32 HB VAL 32 -6.206 -0.014 6.004 254 HG11 VAL 32 1HG1 VAL 32 -5.963 0.201 8.455 255 HG12 VAL 32 2HG1 VAL 32 -4.438 1.054 8.213 256 HG13 VAL 32 3HG1 VAL 32 -4.593 -0.630 7.717 257 HG21 VAL 32 3HG2 VAL 32 -6.764 2.329 5.538 258 HG22 VAL 32 1HG2 VAL 32 -5.818 2.839 6.937 259 HG23 VAL 32 2HG2 VAL 32 -7.271 1.864 7.161 260 H VAL 33 H VAL 33 -1.999 0.589 6.279 261 HA VAL 33 HA VAL 33 -2.008 -2.303 5.668 262 HB VAL 33 HB VAL 33 0.323 -0.440 5.138 263 HG11 VAL 33 1HG1 VAL 33 1.052 -2.658 5.855 264 HG12 VAL 33 2HG1 VAL 33 1.407 -2.410 4.146 265 HG13 VAL 33 3HG1 VAL 33 0.033 -3.406 4.621 266 HG21 VAL 33 3HG2 VAL 33 -1.428 -0.132 3.473 267 HG22 VAL 33 1HG2 VAL 33 -1.492 -1.873 3.190 268 HG23 VAL 33 2HG2 VAL 33 -0.045 -0.961 2.759 269 H SER 34 H SER 34 -1.746 -3.372 7.531 270 HA SER 34 HA SER 34 -0.313 -2.167 9.769 271 HB2 SER 34 2HB SER 34 -1.758 -4.830 9.566 272 HB3 SER 34 1HB SER 34 -1.063 -4.160 11.041 273 HG SER 34 HG SER 34 -3.186 -3.599 11.069 274 H ARG 35 H ARG 35 1.400 -3.317 10.910 275 HA ARG 35 HA ARG 35 3.375 -4.308 9.109 276 HB2 ARG 35 2HB ARG 35 3.404 -4.154 12.129 277 HB3 ARG 35 1HB ARG 35 4.783 -4.621 11.140 278 HG2 ARG 35 2HG ARG 35 4.464 -2.358 9.966 279 HG3 ARG 35 1HG ARG 35 3.441 -1.943 11.343 280 HD2 ARG 35 2HD ARG 35 6.328 -2.824 11.494 281 HD3 ARG 35 1HD ARG 35 5.758 -1.162 11.624 282 HE ARG 35 HE ARG 35 4.660 -3.028 13.552 283 HH11 ARG 35 1HH1 ARG 35 7.084 -0.679 12.852 284 HH12 ARG 35 2HH1 ARG 35 7.413 -0.363 14.520 285 HH21 ARG 35 1HH2 ARG 35 5.098 -2.619 15.703 286 HH22 ARG 35 2HH2 ARG 35 6.325 -1.469 16.117 287 H ALA 36 H ALA 36 0.903 -5.848 10.903 288 HA ALA 36 HA ALA 36 1.810 -8.397 11.358 289 HB1 ALA 36 3HB ALA 36 -0.466 -9.174 10.996 290 HB2 ALA 36 1HB ALA 36 -0.856 -7.688 10.126 291 HB3 ALA 36 2HB ALA 36 -0.474 -7.629 11.846 292 H ALA 37 H ALA 37 0.947 -6.970 8.231 293 HA ALA 37 HA ALA 37 1.637 -9.381 6.765 294 HB1 ALA 37 3HB ALA 37 1.130 -8.077 4.769 295 HB2 ALA 37 1HB ALA 37 1.018 -6.606 5.738 296 HB3 ALA 37 2HB ALA 37 -0.156 -7.903 5.963 297 H LEU 38 H LEU 38 3.054 -6.168 7.313 298 HA LEU 38 HA LEU 38 5.191 -6.310 5.524 299 HB2 LEU 38 2HB LEU 38 5.080 -4.889 8.191 300 HB3 LEU 38 1HB LEU 38 6.266 -4.587 6.934 301 HG LEU 38 HG LEU 38 3.288 -4.091 6.701 302 HD11 LEU 38 1HD1 LEU 38 4.414 -2.499 8.179 303 HD12 LEU 38 2HD1 LEU 38 3.887 -1.729 6.684 304 HD13 LEU 38 3HD1 LEU 38 5.587 -2.144 6.910 305 HD21 LEU 38 3HD2 LEU 38 3.835 -3.031 4.560 306 HD22 LEU 38 1HD2 LEU 38 4.256 -4.742 4.557 307 HD23 LEU 38 2HD2 LEU 38 5.519 -3.523 4.742 308 H GLN 39 H GLN 39 4.994 -7.497 8.854 309 HA GLN 39 HA GLN 39 7.712 -8.232 9.134 310 HB2 GLN 39 2HB GLN 39 5.255 -9.379 10.488 311 HB3 GLN 39 1HB GLN 39 6.915 -9.666 10.994 312 HG2 GLN 39 2HG GLN 39 5.531 -6.984 10.945 313 HG3 GLN 39 1HG GLN 39 5.812 -7.975 12.375 314 HE21 GLN 39 1HE2 GLN 39 7.896 -8.122 13.213 315 HE22 GLN 39 2HE2 GLN 39 9.146 -7.017 12.759 316 H ALA 40 H ALA 40 4.889 -9.968 7.896 317 HA ALA 40 HA ALA 40 6.174 -12.462 7.457 318 HB1 ALA 40 3HB ALA 40 4.276 -12.977 6.014 319 HB2 ALA 40 1HB ALA 40 3.789 -11.282 6.026 320 HB3 ALA 40 2HB ALA 40 3.736 -12.226 7.516 321 H LEU 41 H LEU 41 5.864 -9.533 5.527 322 HA LEU 41 HA LEU 41 7.046 -10.552 3.143 323 HB2 LEU 41 2HB LEU 41 6.972 -7.702 4.158 324 HB3 LEU 41 1HB LEU 41 7.318 -8.197 2.512 325 HG LEU 41 HG LEU 41 4.670 -8.614 3.916 326 HD11 LEU 41 1HD1 LEU 41 3.826 -6.844 2.473 327 HD12 LEU 41 2HD1 LEU 41 5.438 -6.598 1.802 328 HD13 LEU 41 3HD1 LEU 41 5.127 -6.244 3.502 329 HD21 LEU 41 3HD2 LEU 41 5.074 -10.311 2.228 330 HD22 LEU 41 1HD2 LEU 41 5.496 -9.070 1.046 331 HD23 LEU 41 2HD2 LEU 41 3.848 -9.177 1.665 332 H GLY 42 H GLY 42 8.343 -9.344 6.145 333 HA2 GLY 42 2HA GLY 42 10.536 -9.599 6.930 334 HA3 GLY 42 1HA GLY 42 11.057 -10.005 5.302 335 H VAL 43 H VAL 43 9.277 -7.147 6.429 336 HA VAL 43 HA VAL 43 11.069 -5.398 4.993 337 HB VAL 43 HB VAL 43 8.749 -4.717 6.818 338 HG11 VAL 43 1HG1 VAL 43 10.303 -2.838 6.558 339 HG12 VAL 43 2HG1 VAL 43 8.775 -2.520 5.739 340 HG13 VAL 43 3HG1 VAL 43 10.198 -2.984 4.804 341 HG21 VAL 43 3HG2 VAL 43 7.469 -4.405 4.749 342 HG22 VAL 43 1HG2 VAL 43 8.049 -6.063 4.902 343 HG23 VAL 43 2HG2 VAL 43 8.856 -4.945 3.802 344 H ALA 44 H ALA 44 12.770 -4.297 5.774 345 HA ALA 44 HA ALA 44 13.633 -4.666 8.485 346 HB1 ALA 44 3HB ALA 44 14.804 -2.927 6.312 347 HB2 ALA 44 1HB ALA 44 15.227 -4.609 6.636 348 HB3 ALA 44 2HB ALA 44 15.590 -3.363 7.830 349 H GLU 45 H GLU 45 13.935 -3.101 10.092 350 HA GLU 45 HA GLU 45 11.933 -1.190 10.462 351 HB2 GLU 45 2HB GLU 45 13.245 -2.169 12.303 352 HB3 GLU 45 1HB GLU 45 14.676 -1.312 11.748 353 HG2 GLU 45 2HG GLU 45 13.807 -0.114 13.602 354 HG3 GLU 45 1HG GLU 45 13.458 0.832 12.157 355 H GLY 46 H GLY 46 11.631 0.788 9.614 356 HA2 GLY 46 2HA GLY 46 12.298 2.983 9.012 357 HA3 GLY 46 1HA GLY 46 13.951 2.417 8.825 358 H GLY 47 H GLY 47 12.006 0.190 7.339 359 HA2 GLY 47 2HA GLY 47 12.548 1.325 4.688 360 HA3 GLY 47 1HA GLY 47 12.084 -0.332 5.036 361 H GLU 48 H GLU 48 9.841 0.570 6.767 362 HA GLU 48 HA GLU 48 7.766 0.478 4.889 363 HB2 GLU 48 2HB GLU 48 6.256 0.846 6.732 364 HB3 GLU 48 1HB GLU 48 7.563 -0.197 7.270 365 HG2 GLU 48 2HG GLU 48 7.254 2.747 7.869 366 HG3 GLU 48 1HG GLU 48 6.988 1.414 8.987 367 H ARG 49 H ARG 49 9.322 3.243 6.416 368 HA ARG 49 HA ARG 49 7.500 5.241 5.630 369 HB2 ARG 49 2HB ARG 49 9.392 6.814 5.997 370 HB3 ARG 49 1HB ARG 49 9.135 5.697 7.329 371 HG2 ARG 49 2HG ARG 49 10.995 4.305 6.485 372 HG3 ARG 49 1HG ARG 49 11.281 5.501 5.218 373 HD2 ARG 49 2HD ARG 49 11.763 7.200 6.905 374 HD3 ARG 49 1HD ARG 49 11.411 6.043 8.192 375 HE ARG 49 HE ARG 49 13.375 4.838 6.751 376 HH11 ARG 49 1HH1 ARG 49 13.087 7.927 8.263 377 HH12 ARG 49 2HH1 ARG 49 14.782 8.034 8.591 378 HH21 ARG 49 1HH2 ARG 49 15.552 5.007 7.185 379 HH22 ARG 49 2HH2 ARG 49 16.153 6.414 7.990 380 H CYS 50 H CYS 50 9.599 3.388 3.718 381 HA CYS 50 HA CYS 50 8.988 5.116 1.411 382 HB2 CYS 50 2HB CYS 50 11.650 3.776 1.949 383 HB3 CYS 50 1HB CYS 50 11.208 4.548 0.429 384 HG CYS 50 HG CYS 50 10.641 6.745 2.744 385 HA PRO 51 HA PRO 51 7.198 0.884 0.914 386 HB2 PRO 51 2HB PRO 51 5.457 1.729 -1.086 387 HB3 PRO 51 1HB PRO 51 5.092 1.715 0.641 388 HG2 PRO 51 2HG PRO 51 6.032 3.983 -1.081 389 HG3 PRO 51 1HG PRO 51 4.801 3.981 0.199 390 HD2 PRO 51 2HD PRO 51 7.244 4.949 0.663 391 HD3 PRO 51 1HD PRO 51 6.399 3.997 1.905 392 H GLN 52 H GLN 52 8.458 3.061 -1.539 393 HA GLN 52 HA GLN 52 8.605 1.272 -3.704 394 HB2 GLN 52 2HB GLN 52 10.242 2.818 -4.653 395 HB3 GLN 52 1HB GLN 52 8.891 3.694 -3.949 396 HG2 GLN 52 2HG GLN 52 10.265 4.143 -1.943 397 HG3 GLN 52 1HG GLN 52 11.622 3.331 -2.722 398 HE21 GLN 52 1HE2 GLN 52 12.617 4.319 -4.502 399 HE22 GLN 52 2HE2 GLN 52 12.419 6.004 -4.832 400 H SER 53 H SER 53 10.540 1.523 -0.841 401 HA SER 53 HA SER 53 12.886 0.197 -1.755 402 HB2 SER 53 2HB SER 53 12.953 1.496 0.296 403 HB3 SER 53 1HB SER 53 11.723 0.471 1.033 404 HG SER 53 HG SER 53 14.371 -0.265 0.300 405 H VAL 54 H VAL 54 9.958 -0.962 -0.114 406 HA VAL 54 HA VAL 54 10.824 -3.701 -0.038 407 HB VAL 54 HB VAL 54 8.022 -2.615 0.347 408 HG11 VAL 54 1HG1 VAL 54 9.285 -5.229 1.197 409 HG12 VAL 54 2HG1 VAL 54 8.036 -5.014 -0.032 410 HG13 VAL 54 3HG1 VAL 54 7.674 -4.680 1.662 411 HG21 VAL 54 3HG2 VAL 54 10.166 -3.117 2.421 412 HG22 VAL 54 1HG2 VAL 54 8.511 -2.595 2.740 413 HG23 VAL 54 2HG2 VAL 54 9.617 -1.533 1.870 414 H GLY 55 H GLY 55 8.442 -1.898 -1.993 415 HA2 GLY 55 2HA GLY 55 8.344 -2.322 -4.385 416 HA3 GLY 55 1HA GLY 55 8.664 -4.014 -4.051 417 H TRP 56 H TRP 56 6.961 -5.339 -3.271 418 HA TRP 56 HA TRP 56 4.271 -4.242 -3.809 419 HB2 TRP 56 2HB TRP 56 5.396 -7.018 -4.225 420 HB3 TRP 56 1HB TRP 56 3.672 -6.660 -4.307 421 HD1 TRP 56 HD1 TRP 56 6.917 -5.353 -6.013 422 HE1 TRP 56 HE1 TRP 56 6.356 -4.857 -8.475 423 HE3 TRP 56 HE3 TRP 56 1.938 -6.485 -5.945 424 HZ2 TRP 56 HZ2 TRP 56 4.101 -4.947 -10.168 425 HZ3 TRP 56 HZ3 TRP 56 0.644 -6.257 -8.029 426 HH2 TRP 56 HH2 TRP 56 1.706 -5.503 -10.095 427 H MET 57 H MET 57 3.104 -3.929 -2.030 428 HA MET 57 HA MET 57 3.269 -5.922 0.149 429 HB2 MET 57 2HB MET 57 2.835 -2.937 0.443 430 HB3 MET 57 1HB MET 57 2.782 -4.106 1.753 431 HG2 MET 57 2HG MET 57 4.890 -2.997 1.824 432 HG3 MET 57 1HG MET 57 5.161 -4.655 1.295 433 HE1 MET 57 3HE MET 57 3.732 -1.707 -0.927 434 HE2 MET 57 1HE MET 57 5.233 -1.012 -1.538 435 HE3 MET 57 2HE MET 57 4.855 -0.922 0.182 436 HA PRO 58 HA PRO 58 -1.180 -6.152 -0.439 437 HB2 PRO 58 2HB PRO 58 -1.779 -7.769 1.631 438 HB3 PRO 58 1HB PRO 58 -0.934 -8.361 0.195 439 HG2 PRO 58 2HG PRO 58 0.190 -7.608 2.873 440 HG3 PRO 58 1HG PRO 58 0.589 -8.994 1.843 441 HD2 PRO 58 2HD PRO 58 2.094 -6.703 1.965 442 HD3 PRO 58 1HD PRO 58 2.040 -7.774 0.550 443 H GLY 59 H GLY 59 -2.660 -4.650 0.109 444 HA2 GLY 59 2HA GLY 59 -2.912 -3.822 2.917 445 HA3 GLY 59 1HA GLY 59 -2.581 -2.577 1.725 446 H LEU 60 H LEU 60 -4.797 -2.336 3.255 447 HA LEU 60 HA LEU 60 -7.052 -3.232 1.575 448 HB2 LEU 60 2HB LEU 60 -7.188 -3.785 3.959 449 HB3 LEU 60 1HB LEU 60 -7.018 -2.089 4.377 450 HG LEU 60 HG LEU 60 -9.185 -1.626 3.238 451 HD11 LEU 60 1HD1 LEU 60 -9.201 -3.479 1.658 452 HD12 LEU 60 2HD1 LEU 60 -10.654 -3.497 2.655 453 HD13 LEU 60 3HD1 LEU 60 -9.343 -4.631 2.987 454 HD21 LEU 60 3HD2 LEU 60 -9.320 -3.733 5.396 455 HD22 LEU 60 1HD2 LEU 60 -10.602 -2.599 4.966 456 HD23 LEU 60 2HD2 LEU 60 -9.093 -2.002 5.656 457 H ASN 61 H ASN 61 -7.958 -1.815 0.210 458 HA ASN 61 HA ASN 61 -7.345 1.018 0.389 459 HB2 ASN 61 2HB ASN 61 -7.336 0.009 -1.815 460 HB3 ASN 61 1HB ASN 61 -8.985 -0.572 -1.602 461 HD21 ASN 61 1HD2 ASN 61 -7.012 2.301 -1.955 462 HD22 ASN 61 2HD2 ASN 61 -8.283 3.325 -2.510 463 H GLU 62 H GLU 62 -8.539 2.420 1.527 464 HA GLU 62 HA GLU 62 -10.843 1.594 2.950 465 HB2 GLU 62 2HB GLU 62 -9.597 4.316 2.558 466 HB3 GLU 62 1HB GLU 62 -10.959 4.024 3.632 467 HG2 GLU 62 2HG GLU 62 -8.329 2.580 3.886 468 HG3 GLU 62 1HG GLU 62 -8.683 4.095 4.712 469 H ARG 63 H ARG 63 -10.484 3.381 -0.059 470 HA ARG 63 HA ARG 63 -13.077 4.466 -0.239 471 HB2 ARG 63 2HB ARG 63 -11.031 4.970 -1.681 472 HB3 ARG 63 1HB ARG 63 -11.424 3.517 -2.583 473 HG2 ARG 63 2HG ARG 63 -12.367 5.203 -3.861 474 HG3 ARG 63 1HG ARG 63 -13.740 4.616 -2.924 475 HD2 ARG 63 2HD ARG 63 -12.060 6.999 -2.140 476 HD3 ARG 63 1HD ARG 63 -13.544 7.115 -3.078 477 HE ARG 63 HE ARG 63 -14.669 6.100 -1.100 478 HH11 ARG 63 1HH1 ARG 63 -11.635 7.676 -0.651 479 HH12 ARG 63 2HH1 ARG 63 -12.045 8.245 0.929 480 HH21 ARG 63 1HH2 ARG 63 -15.170 6.812 0.927 481 HH22 ARG 63 2HH2 ARG 63 -14.021 7.743 1.823 482 H THR 64 H THR 64 -11.778 1.414 -1.538 483 HA THR 64 HA THR 64 -14.464 0.654 -2.480 484 HB THR 64 HB THR 64 -13.308 -1.023 -3.868 485 HG1 THR 64 HG1 THR 64 -10.790 0.054 -3.391 486 HG21 THR 64 3HG2 THR 64 -12.160 1.767 -4.128 487 HG22 THR 64 1HG2 THR 64 -13.687 1.202 -4.807 488 HG23 THR 64 2HG2 THR 64 -12.162 0.538 -5.394 489 H ARG 65 H ARG 65 -12.208 -0.160 -0.019 490 HA ARG 65 HA ARG 65 -12.070 -1.798 1.546 491 HB2 ARG 65 2HB ARG 65 -14.846 -2.380 0.540 492 HB3 ARG 65 1HB ARG 65 -14.075 -3.471 1.680 493 HG2 ARG 65 2HG ARG 65 -15.491 -1.947 2.878 494 HG3 ARG 65 1HG ARG 65 -13.806 -1.587 3.258 495 HD2 ARG 65 2HD ARG 65 -15.157 0.442 2.904 496 HD3 ARG 65 1HD ARG 65 -13.828 0.303 1.753 497 HE ARG 65 HE ARG 65 -15.699 -0.695 0.264 498 HH11 ARG 65 1HH1 ARG 65 -16.126 1.837 2.557 499 HH12 ARG 65 2HH1 ARG 65 -17.329 2.635 1.608 500 HH21 ARG 65 1HH2 ARG 65 -17.240 0.343 -0.947 501 HH22 ARG 65 2HH2 ARG 65 -17.957 1.799 -0.350 502 H GLN 66 H GLN 66 -11.343 -2.188 -1.419 503 HA GLN 66 HA GLN 66 -11.342 -5.078 -1.700 504 HB2 GLN 66 2HB GLN 66 -10.083 -2.884 -3.355 505 HB3 GLN 66 1HB GLN 66 -9.964 -4.593 -3.752 506 HG2 GLN 66 2HG GLN 66 -12.369 -4.731 -4.027 507 HG3 GLN 66 1HG GLN 66 -12.546 -3.049 -3.534 508 HE21 GLN 66 1HE2 GLN 66 -9.936 -4.166 -5.581 509 HE22 GLN 66 2HE2 GLN 66 -10.470 -3.366 -7.013 510 H ARG 67 H ARG 67 -9.529 -6.423 -1.666 511 HA ARG 67 HA ARG 67 -7.146 -5.334 -0.297 512 HB2 ARG 67 2HB ARG 67 -8.188 -8.180 -0.381 513 HB3 ARG 67 1HB ARG 67 -6.743 -7.649 0.469 514 HG2 ARG 67 2HG ARG 67 -8.123 -6.240 1.930 515 HG3 ARG 67 1HG ARG 67 -9.570 -6.780 1.074 516 HD2 ARG 67 2HD ARG 67 -9.246 -8.009 3.174 517 HD3 ARG 67 1HD ARG 67 -9.159 -9.075 1.772 518 HE ARG 67 HE ARG 67 -6.731 -8.066 3.109 519 HH11 ARG 67 1HH1 ARG 67 -8.622 -10.677 1.875 520 HH12 ARG 67 2HH1 ARG 67 -7.380 -11.845 2.163 521 HH21 ARG 67 1HH2 ARG 67 -5.155 -9.585 3.466 522 HH22 ARG 67 2HH2 ARG 67 -5.448 -11.236 3.040 523 H GLY 68 H GLY 68 -5.064 -5.969 -1.037 524 HA2 GLY 68 2HA GLY 68 -4.500 -7.838 -3.021 525 HA3 GLY 68 1HA GLY 68 -4.814 -6.324 -3.850 526 H ASP 69 H ASP 69 -2.383 -7.633 -4.026 527 HA ASP 69 HA ASP 69 -0.488 -6.210 -2.329 528 HB2 ASP 69 2HB ASP 69 0.018 -8.077 -4.669 529 HB3 ASP 69 1HB ASP 69 1.223 -7.499 -3.520 530 H PHE 70 H PHE 70 -0.081 -4.120 -2.835 531 HA PHE 70 HA PHE 70 -0.220 -3.325 -5.670 532 HB2 PHE 70 2HB PHE 70 -0.632 -1.033 -4.865 533 HB3 PHE 70 1HB PHE 70 -1.832 -2.168 -4.264 534 HD1 PHE 70 HD1 PHE 70 -1.911 -2.765 -1.898 535 HD2 PHE 70 HD2 PHE 70 0.926 0.056 -3.365 536 HE1 PHE 70 HE1 PHE 70 -1.482 -2.003 0.400 537 HE2 PHE 70 HE2 PHE 70 1.359 0.817 -1.067 538 HZ PHE 70 HZ PHE 70 0.155 -0.212 0.818 539 HA PRO 71 HA PRO 71 4.145 -2.293 -5.656 540 HB2 PRO 71 2HB PRO 71 4.154 -0.555 -7.761 541 HB3 PRO 71 1HB PRO 71 4.054 -2.310 -7.956 542 HG2 PRO 71 2HG PRO 71 1.856 -0.269 -8.022 543 HG3 PRO 71 1HG PRO 71 2.121 -1.663 -9.087 544 HD2 PRO 71 2HD PRO 71 0.328 -1.710 -7.055 545 HD3 PRO 71 1HD PRO 71 1.221 -3.156 -7.569 546 H GLY 72 H GLY 72 4.651 -1.116 -3.879 547 HA2 GLY 72 2HA GLY 72 3.324 1.184 -2.990 548 HA3 GLY 72 1HA GLY 72 4.874 0.618 -2.404 549 H THR 73 H THR 73 5.855 0.991 -5.342 550 HA THR 73 HA THR 73 7.132 3.454 -4.968 551 HB THR 73 HB THR 73 6.609 2.002 -7.575 552 HG1 THR 73 HG1 THR 73 8.321 0.817 -7.074 553 HG21 THR 73 3HG2 THR 73 8.665 4.129 -6.935 554 HG22 THR 73 1HG2 THR 73 7.255 4.338 -7.976 555 HG23 THR 73 2HG2 THR 73 8.544 3.233 -8.448 556 H TYR 74 H TYR 74 3.953 2.797 -6.197 557 HA TYR 74 HA TYR 74 3.753 5.475 -7.397 558 HB2 TYR 74 2HB TYR 74 1.837 3.143 -7.598 559 HB3 TYR 74 1HB TYR 74 1.735 4.657 -8.497 560 HD1 TYR 74 HD2 TYR 74 3.821 5.249 -9.972 561 HD2 TYR 74 HD1 TYR 74 2.966 1.330 -8.544 562 HE1 TYR 74 HE2 TYR 74 5.260 4.299 -11.726 563 HE2 TYR 74 HE1 TYR 74 4.408 0.374 -10.286 564 HH TYR 74 HH TYR 74 5.217 1.115 -12.621 565 H VAL 75 H VAL 75 3.421 4.465 -4.398 566 HA VAL 75 HA VAL 75 1.191 6.327 -3.865 567 HB VAL 75 HB VAL 75 0.482 5.010 -1.926 568 HG11 VAL 75 1HG1 VAL 75 0.529 3.375 -4.468 569 HG12 VAL 75 2HG1 VAL 75 -0.648 4.620 -4.049 570 HG13 VAL 75 3HG1 VAL 75 -0.567 3.132 -3.106 571 HG21 VAL 75 3HG2 VAL 75 2.613 3.938 -1.383 572 HG22 VAL 75 1HG2 VAL 75 2.498 2.948 -2.838 573 HG23 VAL 75 2HG2 VAL 75 1.326 2.744 -1.534 574 H GLU 76 H GLU 76 1.377 7.579 -1.935 575 HA GLU 76 HA GLU 76 4.154 7.841 -1.004 576 HB2 GLU 76 2HB GLU 76 3.563 10.071 -0.257 577 HB3 GLU 76 1HB GLU 76 3.063 9.862 -1.929 578 HG2 GLU 76 2HG GLU 76 0.766 9.566 -1.257 579 HG3 GLU 76 1HG GLU 76 1.223 9.614 0.444 580 H PHE 77 H PHE 77 4.635 8.112 1.239 581 HA PHE 77 HA PHE 77 2.905 6.527 2.985 582 HB2 PHE 77 2HB PHE 77 5.259 5.914 2.912 583 HB3 PHE 77 1HB PHE 77 5.738 7.553 3.335 584 HD1 PHE 77 HD2 PHE 77 3.940 4.569 4.624 585 HD2 PHE 77 HD1 PHE 77 5.971 8.190 5.584 586 HE1 PHE 77 HE2 PHE 77 3.898 3.963 7.006 587 HE2 PHE 77 HE1 PHE 77 5.927 7.587 7.968 588 HZ PHE 77 HZ PHE 77 4.890 5.472 8.681 589 H LEU 78 H LEU 78 1.445 7.530 4.234 590 HA LEU 78 HA LEU 78 1.615 10.361 4.800 591 HB2 LEU 78 2HB LEU 78 -0.386 8.297 5.742 592 HB3 LEU 78 1HB LEU 78 -0.548 10.034 5.927 593 HG LEU 78 HG LEU 78 -0.527 8.528 3.300 594 HD11 LEU 78 1HD1 LEU 78 -2.764 9.952 4.743 595 HD12 LEU 78 2HD1 LEU 78 -2.591 8.207 4.549 596 HD13 LEU 78 3HD1 LEU 78 -2.865 9.227 3.137 597 HD21 LEU 78 3HD2 LEU 78 0.521 10.732 3.088 598 HD22 LEU 78 1HD2 LEU 78 -0.893 11.481 3.831 599 HD23 LEU 78 2HD2 LEU 78 -1.038 10.681 2.265 600 H GLY 79 H GLY 79 1.083 7.574 6.990 601 HA2 GLY 79 2HA GLY 79 3.158 7.984 8.769 602 HA3 GLY 79 1HA GLY 79 1.873 9.055 9.308 603 HA PRO 80 HA PRO 80 1.264 4.689 11.039 604 HB2 PRO 80 2HB PRO 80 1.526 5.912 13.692 605 HB3 PRO 80 1HB PRO 80 2.414 4.554 12.999 606 HG2 PRO 80 2HG PRO 80 3.569 6.956 13.464 607 HG3 PRO 80 1HG PRO 80 4.058 5.912 12.117 608 HD2 PRO 80 2HD PRO 80 2.267 8.324 12.091 609 HD3 PRO 80 1HD PRO 80 3.551 7.861 10.950 610 H LEU 81 H LEU 81 -0.502 3.924 12.423 611 HA LEU 81 HA LEU 81 -2.880 5.533 12.190 612 HB2 LEU 81 2HB LEU 81 -2.392 2.803 13.391 613 HB3 LEU 81 1HB LEU 81 -3.974 3.556 13.313 614 HG LEU 81 HG LEU 81 -2.276 2.827 10.918 615 HD11 LEU 81 1HD1 LEU 81 -4.742 1.508 12.055 616 HD12 LEU 81 2HD1 LEU 81 -3.109 0.840 12.033 617 HD13 LEU 81 3HD1 LEU 81 -3.976 1.097 10.519 618 HD21 LEU 81 3HD2 LEU 81 -4.255 3.370 9.602 619 HD22 LEU 81 1HD2 LEU 81 -3.706 4.775 10.515 620 HD23 LEU 81 2HD2 LEU 81 -5.110 3.860 11.065 621 H GLU 82 H GLU 82 -4.227 6.266 13.854 622 HA GLU 82 HA GLU 82 -3.580 5.970 16.628 623 HB2 GLU 82 2HB GLU 82 -1.885 7.663 15.970 624 HB3 GLU 82 1HB GLU 82 -3.176 8.721 15.414 625 HG2 GLU 82 2HG GLU 82 -4.064 8.830 17.698 626 HG3 GLU 82 1HG GLU 82 -2.763 7.775 18.249 Start of MODEL 6 1 H1 MET 1 1H MET 1 -11.790 0.793 15.185 2 H2 MET 1 2H MET 1 -12.693 0.442 16.567 3 H3 MET 1 3H MET 1 -11.124 -0.167 16.408 4 HA MET 1 HA MET 1 -11.853 2.701 16.642 5 HB2 MET 1 2HB MET 1 -10.612 0.780 18.625 6 HB3 MET 1 1HB MET 1 -10.654 2.525 18.848 7 HG2 MET 1 2HG MET 1 -12.429 1.370 20.086 8 HG3 MET 1 1HG MET 1 -13.061 2.508 18.899 9 HE1 MET 1 3HE MET 1 -15.747 -0.369 18.941 10 HE2 MET 1 1HE MET 1 -15.459 1.356 19.174 11 HE3 MET 1 2HE MET 1 -14.800 0.188 20.320 12 H ALA 2 H ALA 2 -9.520 3.585 17.793 13 HA ALA 2 HA ALA 2 -7.690 3.488 15.539 14 HB1 ALA 2 3HB ALA 2 -7.577 5.103 18.086 15 HB2 ALA 2 1HB ALA 2 -8.258 5.635 16.549 16 HB3 ALA 2 2HB ALA 2 -6.528 5.314 16.683 17 H GLY 3 H GLY 3 -5.219 3.683 16.330 18 HA2 GLY 3 2HA GLY 3 -3.916 2.482 18.265 19 HA3 GLY 3 1HA GLY 3 -4.682 1.068 17.559 20 HA PRO 4 HA PRO 4 -0.767 2.477 15.115 21 HB2 PRO 4 2HB PRO 4 1.308 1.445 16.492 22 HB3 PRO 4 1HB PRO 4 0.639 3.037 16.876 23 HG2 PRO 4 2HG PRO 4 0.142 0.400 18.222 24 HG3 PRO 4 1HG PRO 4 0.468 1.982 18.955 25 HD2 PRO 4 2HD PRO 4 -2.046 0.941 18.704 26 HD3 PRO 4 1HD PRO 4 -1.716 2.687 18.702 27 H GLU 5 H GLU 5 -2.508 0.441 14.579 28 HA GLU 5 HA GLU 5 -1.438 -2.184 14.750 29 HB2 GLU 5 2HB GLU 5 -3.554 -1.168 12.840 30 HB3 GLU 5 1HB GLU 5 -3.306 -2.833 13.352 31 HG2 GLU 5 2HG GLU 5 -4.120 -0.566 15.169 32 HG3 GLU 5 1HG GLU 5 -5.226 -1.736 14.454 33 H GLY 6 H GLY 6 -0.870 0.391 12.537 34 HA2 GLY 6 2HA GLY 6 1.172 -0.994 11.163 35 HA3 GLY 6 1HA GLY 6 -0.281 -0.986 10.176 36 H PHE 7 H PHE 7 0.462 0.334 8.562 37 HA PHE 7 HA PHE 7 1.025 3.135 9.298 38 HB2 PHE 7 2HB PHE 7 2.486 1.524 7.184 39 HB3 PHE 7 1HB PHE 7 2.742 3.231 7.536 40 HD1 PHE 7 HD1 PHE 7 3.813 3.917 9.651 41 HD2 PHE 7 HD2 PHE 7 3.427 -0.188 8.578 42 HE1 PHE 7 HE1 PHE 7 5.502 3.319 11.335 43 HE2 PHE 7 HE2 PHE 7 5.116 -0.789 10.261 44 HZ PHE 7 HZ PHE 7 6.157 0.967 11.643 45 H GLN 8 H GLN 8 0.281 4.702 7.879 46 HA GLN 8 HA GLN 8 -1.832 3.850 6.043 47 HB2 GLN 8 2HB GLN 8 -1.097 6.564 7.164 48 HB3 GLN 8 1HB GLN 8 -2.392 6.309 6.003 49 HG2 GLN 8 2HG GLN 8 -3.575 4.899 7.592 50 HG3 GLN 8 1HG GLN 8 -2.260 5.076 8.751 51 HE21 GLN 8 1HE2 GLN 8 -5.103 5.805 8.955 52 HE22 GLN 8 2HE2 GLN 8 -5.117 7.484 9.356 53 H TYR 9 H TYR 9 -1.729 4.028 3.868 54 HA TYR 9 HA TYR 9 0.472 5.609 2.674 55 HB2 TYR 9 2HB TYR 9 -0.646 2.966 1.698 56 HB3 TYR 9 1HB TYR 9 0.540 3.938 0.833 57 HD1 TYR 9 HD2 TYR 9 2.832 4.199 1.762 58 HD2 TYR 9 HD1 TYR 9 -0.000 1.563 3.536 59 HE1 TYR 9 HE2 TYR 9 4.650 3.051 2.954 60 HE2 TYR 9 HE1 TYR 9 1.811 0.416 4.737 61 HH TYR 9 HH TYR 9 4.283 0.071 4.446 62 H ARG 10 H ARG 10 -0.209 7.206 1.350 63 HA ARG 10 HA ARG 10 -3.028 7.204 0.498 64 HB2 ARG 10 2HB ARG 10 -2.248 9.185 1.713 65 HB3 ARG 10 1HB ARG 10 -0.977 9.435 0.527 66 HG2 ARG 10 2HG ARG 10 -2.725 9.790 -1.206 67 HG3 ARG 10 1HG ARG 10 -3.950 9.660 0.057 68 HD2 ARG 10 2HD ARG 10 -1.722 11.704 0.009 69 HD3 ARG 10 1HD ARG 10 -3.374 12.005 -0.521 70 HE ARG 10 HE ARG 10 -4.010 11.446 1.853 71 HH11 ARG 10 1HH1 ARG 10 -0.878 12.692 1.100 72 HH12 ARG 10 2HH1 ARG 10 -0.707 13.463 2.643 73 HH21 ARG 10 1HH2 ARG 10 -3.771 12.453 3.807 74 HH22 ARG 10 2HH2 ARG 10 -2.310 13.319 4.152 75 H ALA 11 H ALA 11 -3.449 6.457 -1.494 76 HA ALA 11 HA ALA 11 -1.484 6.138 -3.527 77 HB1 ALA 11 3HB ALA 11 -3.454 4.678 -3.334 78 HB2 ALA 11 1HB ALA 11 -3.323 5.397 -4.940 79 HB3 ALA 11 2HB ALA 11 -4.492 6.031 -3.782 80 H LEU 12 H LEU 12 -0.574 7.828 -4.537 81 HA LEU 12 HA LEU 12 -1.997 10.327 -4.881 82 HB2 LEU 12 2HB LEU 12 0.781 9.522 -5.757 83 HB3 LEU 12 1HB LEU 12 0.131 11.152 -5.798 84 HG LEU 12 HG LEU 12 0.652 9.509 -3.311 85 HD11 LEU 12 1HD1 LEU 12 2.375 11.168 -2.835 86 HD12 LEU 12 2HD1 LEU 12 2.033 11.981 -4.363 87 HD13 LEU 12 3HD1 LEU 12 2.693 10.345 -4.362 88 HD21 LEU 12 3HD2 LEU 12 0.053 11.548 -2.078 89 HD22 LEU 12 1HD2 LEU 12 -1.305 10.915 -3.003 90 HD23 LEU 12 2HD2 LEU 12 -0.417 12.321 -3.591 91 H TYR 13 H TYR 13 -1.122 7.597 -6.882 92 HA TYR 13 HA TYR 13 -2.257 8.991 -9.232 93 HB2 TYR 13 2HB TYR 13 -0.035 6.935 -9.290 94 HB3 TYR 13 1HB TYR 13 -0.698 7.804 -10.671 95 HD1 TYR 13 HD1 TYR 13 -0.439 10.368 -10.694 96 HD2 TYR 13 HD2 TYR 13 1.789 7.828 -8.097 97 HE1 TYR 13 HE1 TYR 13 1.220 12.154 -10.374 98 HE2 TYR 13 HE2 TYR 13 3.452 9.610 -7.778 99 HH TYR 13 HH TYR 13 4.249 11.618 -8.948 100 HA PRO 14 HA PRO 14 -5.091 5.520 -9.329 101 HB2 PRO 14 2HB PRO 14 -6.106 5.930 -11.832 102 HB3 PRO 14 1HB PRO 14 -6.599 6.865 -10.415 103 HG2 PRO 14 2HG PRO 14 -4.651 7.574 -12.576 104 HG3 PRO 14 1HG PRO 14 -5.868 8.594 -11.789 105 HD2 PRO 14 2HD PRO 14 -3.230 8.688 -11.145 106 HD3 PRO 14 1HD PRO 14 -4.517 9.016 -9.966 107 H PHE 15 H PHE 15 -4.385 3.506 -9.586 108 HA PHE 15 HA PHE 15 -3.008 2.757 -12.091 109 HB2 PHE 15 2HB PHE 15 -1.391 2.732 -10.295 110 HB3 PHE 15 1HB PHE 15 -2.473 1.798 -9.268 111 HD1 PHE 15 HD1 PHE 15 -0.491 1.644 -12.407 112 HD2 PHE 15 HD2 PHE 15 -2.445 -0.555 -9.324 113 HE1 PHE 15 HE1 PHE 15 0.502 -0.438 -13.263 114 HE2 PHE 15 HE2 PHE 15 -1.449 -2.638 -10.172 115 HZ PHE 15 HZ PHE 15 0.026 -2.581 -12.146 116 H ARG 16 H ARG 16 -4.430 1.595 -13.266 117 HA ARG 16 HA ARG 16 -6.020 -0.478 -11.902 118 HB2 ARG 16 2HB ARG 16 -7.327 -0.605 -14.014 119 HB3 ARG 16 1HB ARG 16 -7.386 0.978 -13.254 120 HG2 ARG 16 2HG ARG 16 -5.744 1.819 -14.865 121 HG3 ARG 16 1HG ARG 16 -5.669 0.227 -15.620 122 HD2 ARG 16 2HD ARG 16 -7.123 1.744 -16.878 123 HD3 ARG 16 1HD ARG 16 -8.024 0.378 -16.222 124 HE ARG 16 HE ARG 16 -8.106 2.661 -14.502 125 HH11 ARG 16 1HH1 ARG 16 -9.496 1.283 -17.334 126 HH12 ARG 16 2HH1 ARG 16 -10.995 2.117 -17.140 127 HH21 ARG 16 1HH2 ARG 16 -10.045 3.728 -14.257 128 HH22 ARG 16 2HH2 ARG 16 -11.308 3.480 -15.414 129 H ARG 17 H ARG 17 -5.304 -2.499 -11.968 130 HA ARG 17 HA ARG 17 -3.030 -3.244 -13.543 131 HB2 ARG 17 2HB ARG 17 -3.393 -4.126 -11.266 132 HB3 ARG 17 1HB ARG 17 -4.842 -4.955 -11.819 133 HG2 ARG 17 2HG ARG 17 -3.143 -6.589 -11.721 134 HG3 ARG 17 1HG ARG 17 -3.369 -6.222 -13.430 135 HD2 ARG 17 2HD ARG 17 -1.425 -4.578 -13.154 136 HD3 ARG 17 1HD ARG 17 -1.123 -5.384 -11.613 137 HE ARG 17 HE ARG 17 -1.116 -6.806 -14.196 138 HH11 ARG 17 1HH1 ARG 17 0.158 -6.374 -11.014 139 HH12 ARG 17 2HH1 ARG 17 1.493 -7.430 -11.305 140 HH21 ARG 17 1HH2 ARG 17 0.580 -8.170 -14.521 141 HH22 ARG 17 2HH2 ARG 17 1.741 -8.426 -13.271 142 H GLU 18 H GLU 18 -2.901 -4.825 -15.182 143 HA GLU 18 HA GLU 18 -4.875 -4.985 -17.131 144 HB2 GLU 18 2HB GLU 18 -2.784 -7.104 -16.554 145 HB3 GLU 18 1HB GLU 18 -3.606 -6.837 -18.084 146 HG2 GLU 18 2HG GLU 18 -1.706 -4.908 -16.757 147 HG3 GLU 18 1HG GLU 18 -1.310 -5.988 -18.090 148 H ARG 19 H ARG 19 -4.104 -7.342 -14.590 149 HA ARG 19 HA ARG 19 -6.693 -8.679 -15.014 150 HB2 ARG 19 2HB ARG 19 -4.154 -9.567 -13.630 151 HB3 ARG 19 1HB ARG 19 -5.656 -10.479 -13.565 152 HG2 ARG 19 2HG ARG 19 -4.167 -9.796 -16.098 153 HG3 ARG 19 1HG ARG 19 -4.060 -11.335 -15.240 154 HD2 ARG 19 2HD ARG 19 -6.543 -10.142 -16.490 155 HD3 ARG 19 1HD ARG 19 -5.615 -11.512 -17.100 156 HE ARG 19 HE ARG 19 -6.432 -12.072 -14.475 157 HH11 ARG 19 1HH1 ARG 19 -7.765 -11.735 -17.640 158 HH12 ARG 19 2HH1 ARG 19 -9.108 -12.766 -17.295 159 HH21 ARG 19 1HH2 ARG 19 -8.168 -13.378 -14.053 160 HH22 ARG 19 2HH2 ARG 19 -9.324 -13.694 -15.300 161 HA PRO 20 HA PRO 20 -8.196 -7.104 -11.098 162 HB2 PRO 20 2HB PRO 20 -10.036 -8.986 -10.471 163 HB3 PRO 20 1HB PRO 20 -10.267 -7.849 -11.804 164 HG2 PRO 20 2HG PRO 20 -9.322 -10.697 -11.885 165 HG3 PRO 20 1HG PRO 20 -10.513 -9.886 -12.924 166 HD2 PRO 20 2HD PRO 20 -7.933 -10.292 -13.685 167 HD3 PRO 20 1HD PRO 20 -8.882 -8.892 -14.228 168 H GLU 21 H GLU 21 -6.123 -9.627 -11.302 169 HA GLU 21 HA GLU 21 -6.360 -10.963 -8.822 170 HB2 GLU 21 2HB GLU 21 -5.159 -11.940 -10.676 171 HB3 GLU 21 1HB GLU 21 -4.020 -10.604 -10.702 172 HG2 GLU 21 2HG GLU 21 -3.068 -11.294 -8.608 173 HG3 GLU 21 1HG GLU 21 -4.311 -12.528 -8.401 174 H ASP 22 H ASP 22 -4.626 -8.044 -9.777 175 HA ASP 22 HA ASP 22 -3.331 -7.722 -7.205 176 HB2 ASP 22 2HB ASP 22 -3.518 -5.852 -9.584 177 HB3 ASP 22 1HB ASP 22 -2.500 -5.596 -8.171 178 H LEU 23 H LEU 23 -3.573 -4.918 -6.847 179 HA LEU 23 HA LEU 23 -6.463 -4.510 -6.359 180 HB2 LEU 23 2HB LEU 23 -5.257 -4.990 -4.261 181 HB3 LEU 23 1HB LEU 23 -4.181 -3.642 -4.573 182 HG LEU 23 HG LEU 23 -6.094 -2.080 -4.388 183 HD11 LEU 23 1HD1 LEU 23 -7.882 -3.579 -5.105 184 HD12 LEU 23 2HD1 LEU 23 -8.244 -2.876 -3.529 185 HD13 LEU 23 3HD1 LEU 23 -7.676 -4.542 -3.641 186 HD21 LEU 23 3HD2 LEU 23 -5.769 -3.920 -2.014 187 HD22 LEU 23 1HD2 LEU 23 -6.409 -2.277 -1.967 188 HD23 LEU 23 2HD2 LEU 23 -4.728 -2.556 -2.420 189 H GLU 24 H GLU 24 -7.277 -2.764 -7.342 190 HA GLU 24 HA GLU 24 -5.611 -0.964 -8.805 191 HB2 GLU 24 2HB GLU 24 -8.585 -0.770 -8.259 192 HB3 GLU 24 1HB GLU 24 -7.698 0.164 -9.453 193 HG2 GLU 24 2HG GLU 24 -8.649 -1.479 -10.751 194 HG3 GLU 24 1HG GLU 24 -7.055 -2.157 -10.433 195 H LEU 25 H LEU 25 -5.050 1.127 -8.430 196 HA LEU 25 HA LEU 25 -5.598 2.213 -5.741 197 HB2 LEU 25 2HB LEU 25 -3.371 2.861 -7.687 198 HB3 LEU 25 1HB LEU 25 -3.573 3.592 -6.104 199 HG LEU 25 HG LEU 25 -3.022 0.663 -6.622 200 HD11 LEU 25 1HD1 LEU 25 -1.223 2.847 -5.559 201 HD12 LEU 25 2HD1 LEU 25 -1.085 2.053 -7.128 202 HD13 LEU 25 3HD1 LEU 25 -0.818 1.132 -5.651 203 HD21 LEU 25 3HD2 LEU 25 -3.216 2.208 -4.031 204 HD22 LEU 25 1HD2 LEU 25 -2.725 0.521 -4.190 205 HD23 LEU 25 2HD2 LEU 25 -4.366 1.004 -4.615 206 H LEU 26 H LEU 26 -6.557 4.183 -5.470 207 HA LEU 26 HA LEU 26 -7.133 5.807 -7.873 208 HB2 LEU 26 2HB LEU 26 -8.876 5.119 -5.522 209 HB3 LEU 26 1HB LEU 26 -9.140 6.619 -6.384 210 HG LEU 26 HG LEU 26 -10.683 4.928 -7.182 211 HD11 LEU 26 1HD1 LEU 26 -10.211 5.012 -9.569 212 HD12 LEU 26 2HD1 LEU 26 -8.543 5.475 -9.236 213 HD13 LEU 26 3HD1 LEU 26 -9.861 6.561 -8.800 214 HD21 LEU 26 3HD2 LEU 26 -9.960 2.886 -8.268 215 HD22 LEU 26 1HD2 LEU 26 -9.347 2.937 -6.617 216 HD23 LEU 26 2HD2 LEU 26 -8.271 3.293 -7.970 217 HA PRO 27 HA PRO 27 -4.857 9.044 -5.931 218 HB2 PRO 27 2HB PRO 27 -6.008 11.247 -7.066 219 HB3 PRO 27 1HB PRO 27 -4.913 10.166 -7.936 220 HG2 PRO 27 2HG PRO 27 -7.912 10.238 -7.954 221 HG3 PRO 27 1HG PRO 27 -6.789 10.062 -9.318 222 HD2 PRO 27 2HD PRO 27 -8.066 7.944 -8.238 223 HD3 PRO 27 1HD PRO 27 -6.420 7.817 -8.888 224 H GLY 28 H GLY 28 -5.081 9.527 -3.828 225 HA2 GLY 28 2HA GLY 28 -5.924 11.052 -2.168 226 HA3 GLY 28 1HA GLY 28 -7.492 10.993 -2.954 227 H ASP 29 H ASP 29 -6.667 7.877 -3.024 228 HA ASP 29 HA ASP 29 -8.263 7.189 -0.727 229 HB2 ASP 29 2HB ASP 29 -8.305 5.963 -2.934 230 HB3 ASP 29 1HB ASP 29 -6.709 5.328 -2.546 231 H VAL 30 H VAL 30 -7.588 6.287 1.207 232 HA VAL 30 HA VAL 30 -4.673 6.234 1.680 233 HB VAL 30 HB VAL 30 -6.888 6.701 3.696 234 HG11 VAL 30 1HG1 VAL 30 -4.984 5.553 4.701 235 HG12 VAL 30 2HG1 VAL 30 -5.071 7.219 5.270 236 HG13 VAL 30 3HG1 VAL 30 -3.883 6.766 4.047 237 HG21 VAL 30 3HG2 VAL 30 -6.002 8.994 3.813 238 HG22 VAL 30 1HG2 VAL 30 -6.612 8.604 2.202 239 HG23 VAL 30 2HG2 VAL 30 -4.875 8.618 2.509 240 H LEU 31 H LEU 31 -4.157 4.122 1.310 241 HA LEU 31 HA LEU 31 -5.842 1.965 2.238 242 HB2 LEU 31 2HB LEU 31 -3.105 1.892 0.951 243 HB3 LEU 31 1HB LEU 31 -4.102 0.487 1.282 244 HG LEU 31 HG LEU 31 -5.862 1.666 -0.235 245 HD11 LEU 31 1HD1 LEU 31 -3.349 3.082 -1.125 246 HD12 LEU 31 2HD1 LEU 31 -4.768 3.829 -0.388 247 HD13 LEU 31 3HD1 LEU 31 -4.892 3.085 -1.982 248 HD21 LEU 31 3HD2 LEU 31 -4.878 0.642 -2.230 249 HD22 LEU 31 1HD2 LEU 31 -4.738 -0.409 -0.820 250 HD23 LEU 31 2HD2 LEU 31 -3.333 0.493 -1.393 251 H VAL 32 H VAL 32 -5.701 0.924 4.118 252 HA VAL 32 HA VAL 32 -3.530 1.596 5.968 253 HB VAL 32 HB VAL 32 -6.074 0.033 6.494 254 HG11 VAL 32 1HG1 VAL 32 -4.281 -0.479 8.086 255 HG12 VAL 32 2HG1 VAL 32 -5.582 0.427 8.858 256 HG13 VAL 32 3HG1 VAL 32 -4.081 1.243 8.421 257 HG21 VAL 32 3HG2 VAL 32 -6.587 2.324 5.839 258 HG22 VAL 32 1HG2 VAL 32 -5.436 2.941 7.026 259 HG23 VAL 32 2HG2 VAL 32 -6.888 2.096 7.561 260 H VAL 33 H VAL 33 -1.779 0.332 5.946 261 HA VAL 33 HA VAL 33 -2.092 -2.583 5.532 262 HB VAL 33 HB VAL 33 0.396 -0.874 5.217 263 HG11 VAL 33 1HG1 VAL 33 0.925 -3.159 5.946 264 HG12 VAL 33 2HG1 VAL 33 1.446 -2.879 4.285 265 HG13 VAL 33 3HG1 VAL 33 -0.019 -3.808 4.602 266 HG21 VAL 33 3HG2 VAL 33 -1.255 -0.464 3.454 267 HG22 VAL 33 1HG2 VAL 33 -1.336 -2.193 3.116 268 HG23 VAL 33 2HG2 VAL 33 0.160 -1.305 2.818 269 H SER 34 H SER 34 -1.478 -3.986 7.139 270 HA SER 34 HA SER 34 -1.010 -2.922 9.766 271 HB2 SER 34 2HB SER 34 -1.089 -5.204 10.540 272 HB3 SER 34 1HB SER 34 -2.341 -5.006 9.315 273 HG SER 34 HG SER 34 -1.412 -6.722 8.492 274 H ARG 35 H ARG 35 0.824 -3.191 11.103 275 HA ARG 35 HA ARG 35 3.354 -2.999 9.864 276 HB2 ARG 35 2HB ARG 35 2.784 -2.122 12.141 277 HB3 ARG 35 1HB ARG 35 2.779 -3.776 12.737 278 HG2 ARG 35 2HG ARG 35 5.152 -3.992 12.154 279 HG3 ARG 35 1HG ARG 35 5.154 -2.331 11.557 280 HD2 ARG 35 2HD ARG 35 6.073 -2.379 13.788 281 HD3 ARG 35 1HD ARG 35 4.515 -1.555 13.818 282 HE ARG 35 HE ARG 35 4.687 -4.394 14.554 283 HH11 ARG 35 1HH1 ARG 35 3.933 -1.136 15.412 284 HH12 ARG 35 2HH1 ARG 35 3.238 -1.594 16.929 285 HH21 ARG 35 1HH2 ARG 35 3.792 -4.947 16.495 286 HH22 ARG 35 2HH2 ARG 35 3.163 -3.713 17.535 287 H ALA 36 H ALA 36 1.642 -5.708 11.336 288 HA ALA 36 HA ALA 36 3.641 -7.661 11.240 289 HB1 ALA 36 3HB ALA 36 1.827 -9.291 11.344 290 HB2 ALA 36 1HB ALA 36 0.662 -8.039 10.912 291 HB3 ALA 36 2HB ALA 36 1.528 -7.946 12.446 292 H ALA 37 H ALA 37 1.347 -6.609 8.731 293 HA ALA 37 HA ALA 37 1.913 -8.541 6.781 294 HB1 ALA 37 3HB ALA 37 1.182 -5.638 6.359 295 HB2 ALA 37 1HB ALA 37 0.049 -6.970 6.591 296 HB3 ALA 37 2HB ALA 37 1.065 -6.918 5.150 297 H LEU 38 H LEU 38 3.449 -5.365 7.323 298 HA LEU 38 HA LEU 38 5.379 -5.550 5.287 299 HB2 LEU 38 2HB LEU 38 5.531 -4.109 7.940 300 HB3 LEU 38 1HB LEU 38 6.641 -3.862 6.605 301 HG LEU 38 HG LEU 38 3.678 -3.243 6.586 302 HD11 LEU 38 1HD1 LEU 38 6.087 -1.425 6.599 303 HD12 LEU 38 2HD1 LEU 38 4.950 -1.669 7.926 304 HD13 LEU 38 3HD1 LEU 38 4.407 -0.911 6.430 305 HD21 LEU 38 3HD2 LEU 38 5.763 -2.847 4.434 306 HD22 LEU 38 1HD2 LEU 38 4.110 -2.227 4.388 307 HD23 LEU 38 2HD2 LEU 38 4.400 -3.966 4.385 308 H GLN 39 H GLN 39 5.512 -6.596 8.689 309 HA GLN 39 HA GLN 39 8.144 -7.579 8.694 310 HB2 GLN 39 2HB GLN 39 5.713 -8.514 10.241 311 HB3 GLN 39 1HB GLN 39 7.348 -9.081 10.553 312 HG2 GLN 39 2HG GLN 39 8.041 -6.791 11.088 313 HG3 GLN 39 1HG GLN 39 6.396 -6.230 10.782 314 HE21 GLN 39 1HE2 GLN 39 8.451 -8.045 12.932 315 HE22 GLN 39 2HE2 GLN 39 7.339 -8.113 14.252 316 H ALA 40 H ALA 40 5.116 -9.094 7.646 317 HA ALA 40 HA ALA 40 6.164 -11.659 7.070 318 HB1 ALA 40 3HB ALA 40 4.162 -11.974 5.699 319 HB2 ALA 40 1HB ALA 40 3.828 -10.244 5.772 320 HB3 ALA 40 2HB ALA 40 3.758 -11.218 7.241 321 H LEU 41 H LEU 41 5.874 -8.711 5.130 322 HA LEU 41 HA LEU 41 6.948 -9.765 2.721 323 HB2 LEU 41 2HB LEU 41 6.901 -6.922 3.749 324 HB3 LEU 41 1HB LEU 41 7.302 -7.387 2.107 325 HG LEU 41 HG LEU 41 4.620 -7.829 3.432 326 HD11 LEU 41 1HD1 LEU 41 3.810 -6.067 1.950 327 HD12 LEU 41 2HD1 LEU 41 5.448 -5.809 1.346 328 HD13 LEU 41 3HD1 LEU 41 5.065 -5.463 3.033 329 HD21 LEU 41 3HD2 LEU 41 5.130 -9.525 1.751 330 HD22 LEU 41 1HD2 LEU 41 5.498 -8.264 0.573 331 HD23 LEU 41 2HD2 LEU 41 3.854 -8.443 1.193 332 H GLY 42 H GLY 42 8.429 -8.795 5.681 333 HA2 GLY 42 2HA GLY 42 10.664 -9.224 6.274 334 HA3 GLY 42 1HA GLY 42 11.080 -9.348 4.574 335 H VAL 43 H VAL 43 9.332 -6.672 6.080 336 HA VAL 43 HA VAL 43 11.375 -4.802 5.159 337 HB VAL 43 HB VAL 43 8.717 -4.243 6.509 338 HG11 VAL 43 1HG1 VAL 43 10.283 -2.399 6.795 339 HG12 VAL 43 2HG1 VAL 43 9.016 -1.950 5.653 340 HG13 VAL 43 3HG1 VAL 43 10.619 -2.390 5.065 341 HG21 VAL 43 3HG2 VAL 43 7.888 -3.703 4.274 342 HG22 VAL 43 1HG2 VAL 43 8.448 -5.374 4.344 343 HG23 VAL 43 2HG2 VAL 43 9.448 -4.140 3.575 344 H ALA 44 H ALA 44 12.830 -3.819 6.442 345 HA ALA 44 HA ALA 44 12.878 -4.520 9.288 346 HB1 ALA 44 3HB ALA 44 14.885 -4.963 7.965 347 HB2 ALA 44 1HB ALA 44 15.208 -3.778 9.231 348 HB3 ALA 44 2HB ALA 44 15.006 -3.252 7.558 349 H GLU 45 H GLU 45 13.170 -2.978 10.944 350 HA GLU 45 HA GLU 45 11.658 -0.685 10.934 351 HB2 GLU 45 2HB GLU 45 12.486 -1.724 12.982 352 HB3 GLU 45 1HB GLU 45 14.133 -1.258 12.586 353 HG2 GLU 45 2HG GLU 45 13.216 0.197 14.290 354 HG3 GLU 45 1HG GLU 45 13.527 1.102 12.809 355 H GLY 46 H GLY 46 11.820 1.234 9.958 356 HA2 GLY 46 2HA GLY 46 12.932 3.240 9.345 357 HA3 GLY 46 1HA GLY 46 14.465 2.383 9.380 358 H GLY 47 H GLY 47 12.190 0.518 7.773 359 HA2 GLY 47 2HA GLY 47 13.172 1.477 5.141 360 HA3 GLY 47 1HA GLY 47 12.731 -0.183 5.498 361 H GLU 48 H GLU 48 10.323 0.672 6.969 362 HA GLU 48 HA GLU 48 8.378 0.487 4.985 363 HB2 GLU 48 2HB GLU 48 6.771 0.990 6.722 364 HB3 GLU 48 1HB GLU 48 8.041 -0.018 7.398 365 HG2 GLU 48 2HG GLU 48 7.678 2.954 7.787 366 HG3 GLU 48 1HG GLU 48 7.445 1.686 8.985 367 H ARG 49 H ARG 49 9.924 3.314 6.339 368 HA ARG 49 HA ARG 49 8.131 5.313 5.589 369 HB2 ARG 49 2HB ARG 49 10.083 6.840 5.759 370 HB3 ARG 49 1HB ARG 49 9.931 5.746 7.127 371 HG2 ARG 49 2HG ARG 49 11.636 4.264 5.955 372 HG3 ARG 49 1HG ARG 49 11.912 5.628 4.868 373 HD2 ARG 49 2HD ARG 49 13.550 5.631 6.655 374 HD3 ARG 49 1HD ARG 49 12.492 7.034 6.802 375 HE ARG 49 HE ARG 49 11.367 5.091 8.391 376 HH11 ARG 49 1HH1 ARG 49 14.433 6.655 8.243 377 HH12 ARG 49 2HH1 ARG 49 14.684 6.578 9.952 378 HH21 ARG 49 1HH2 ARG 49 11.708 4.979 10.584 379 HH22 ARG 49 2HH2 ARG 49 13.156 5.634 11.260 380 H CYS 50 H CYS 50 10.060 3.367 3.536 381 HA CYS 50 HA CYS 50 9.348 5.129 1.274 382 HB2 CYS 50 2HB CYS 50 11.380 4.373 0.087 383 HB3 CYS 50 1HB CYS 50 11.757 5.246 1.567 384 HG CYS 50 HG CYS 50 13.538 3.053 1.084 385 HA PRO 51 HA PRO 51 7.114 1.086 0.768 386 HB2 PRO 51 2HB PRO 51 5.191 2.238 -0.869 387 HB3 PRO 51 1HB PRO 51 5.068 2.098 0.887 388 HG2 PRO 51 2HG PRO 51 5.943 4.435 -0.772 389 HG3 PRO 51 1HG PRO 51 4.896 4.408 0.663 390 HD2 PRO 51 2HD PRO 51 7.461 5.156 0.840 391 HD3 PRO 51 1HD PRO 51 6.704 4.191 2.125 392 H GLN 52 H GLN 52 8.034 3.502 -1.640 393 HA GLN 52 HA GLN 52 7.848 1.963 -3.962 394 HB2 GLN 52 2HB GLN 52 9.856 4.140 -3.332 395 HB3 GLN 52 1HB GLN 52 9.449 3.555 -4.941 396 HG2 GLN 52 2HG GLN 52 7.145 4.348 -4.642 397 HG3 GLN 52 1HG GLN 52 7.563 4.947 -3.038 398 HE21 GLN 52 1HE2 GLN 52 6.566 6.398 -5.363 399 HE22 GLN 52 2HE2 GLN 52 7.738 7.623 -5.693 400 H SER 53 H SER 53 10.281 1.974 -1.451 401 HA SER 53 HA SER 53 12.244 0.462 -2.916 402 HB2 SER 53 2HB SER 53 12.966 1.892 -1.083 403 HB3 SER 53 1HB SER 53 11.952 1.007 0.054 404 HG SER 53 HG SER 53 13.765 -0.048 0.356 405 H VAL 54 H VAL 54 9.574 -0.303 -0.764 406 HA VAL 54 HA VAL 54 10.281 -3.036 -0.314 407 HB VAL 54 HB VAL 54 7.567 -1.710 -0.053 408 HG11 VAL 54 1HG1 VAL 54 8.608 -4.282 1.148 409 HG12 VAL 54 2HG1 VAL 54 7.397 -4.144 -0.128 410 HG13 VAL 54 3HG1 VAL 54 7.042 -3.545 1.492 411 HG21 VAL 54 3HG2 VAL 54 9.255 -0.579 1.307 412 HG22 VAL 54 1HG2 VAL 54 9.718 -2.120 2.031 413 HG23 VAL 54 2HG2 VAL 54 8.109 -1.456 2.322 414 H GLY 55 H GLY 55 7.662 -1.581 -2.291 415 HA2 GLY 55 2HA GLY 55 7.450 -2.380 -4.632 416 HA3 GLY 55 1HA GLY 55 7.750 -3.997 -4.012 417 H TRP 56 H TRP 56 5.854 -5.038 -4.489 418 HA TRP 56 HA TRP 56 3.300 -3.789 -4.068 419 HB2 TRP 56 2HB TRP 56 2.471 -6.211 -4.534 420 HB3 TRP 56 1HB TRP 56 3.205 -5.285 -5.832 421 HD1 TRP 56 HD1 TRP 56 4.547 -7.805 -3.162 422 HE1 TRP 56 HE1 TRP 56 6.187 -9.387 -4.354 423 HE3 TRP 56 HE3 TRP 56 4.321 -5.826 -7.876 424 HZ2 TRP 56 HZ2 TRP 56 7.238 -9.758 -6.941 425 HZ3 TRP 56 HZ3 TRP 56 5.672 -6.863 -9.652 426 HH2 TRP 56 HH2 TRP 56 7.102 -8.789 -9.191 427 H MET 57 H MET 57 1.917 -3.968 -2.399 428 HA MET 57 HA MET 57 2.679 -5.639 -0.096 429 HB2 MET 57 2HB MET 57 1.824 -2.736 0.068 430 HB3 MET 57 1HB MET 57 2.225 -3.776 1.427 431 HG2 MET 57 2HG MET 57 4.533 -3.931 0.638 432 HG3 MET 57 1HG MET 57 4.133 -2.895 -0.732 433 HE1 MET 57 3HE MET 57 2.139 -0.800 0.631 434 HE2 MET 57 1HE MET 57 3.422 -0.340 -0.491 435 HE3 MET 57 2HE MET 57 3.265 0.489 1.057 436 HA PRO 58 HA PRO 58 -1.756 -6.427 0.087 437 HB2 PRO 58 2HB PRO 58 -1.916 -7.528 2.548 438 HB3 PRO 58 1HB PRO 58 -1.158 -8.377 1.196 439 HG2 PRO 58 2HG PRO 58 0.131 -6.836 3.422 440 HG3 PRO 58 1HG PRO 58 0.590 -8.409 2.743 441 HD2 PRO 58 2HD PRO 58 1.824 -6.067 2.065 442 HD3 PRO 58 1HD PRO 58 1.705 -7.455 0.965 443 H GLY 59 H GLY 59 -3.353 -4.956 0.471 444 HA2 GLY 59 2HA GLY 59 -3.467 -3.557 3.031 445 HA3 GLY 59 1HA GLY 59 -3.177 -2.539 1.631 446 H LEU 60 H LEU 60 -5.220 -1.652 2.707 447 HA LEU 60 HA LEU 60 -7.606 -2.941 1.525 448 HB2 LEU 60 2HB LEU 60 -7.615 -3.153 3.961 449 HB3 LEU 60 1HB LEU 60 -7.366 -1.426 4.134 450 HG LEU 60 HG LEU 60 -9.592 -0.998 3.164 451 HD11 LEU 60 1HD1 LEU 60 -9.772 -2.952 1.726 452 HD12 LEU 60 2HD1 LEU 60 -11.161 -2.832 2.802 453 HD13 LEU 60 3HD1 LEU 60 -9.885 -4.003 3.138 454 HD21 LEU 60 3HD2 LEU 60 -9.342 -1.221 5.594 455 HD22 LEU 60 1HD2 LEU 60 -9.662 -2.951 5.472 456 HD23 LEU 60 2HD2 LEU 60 -10.919 -1.787 5.049 457 H ASN 61 H ASN 61 -8.387 -1.740 -0.103 458 HA ASN 61 HA ASN 61 -7.842 1.095 -0.334 459 HB2 ASN 61 2HB ASN 61 -7.888 -0.279 -2.351 460 HB3 ASN 61 1HB ASN 61 -9.546 -0.767 -2.020 461 HD21 ASN 61 1HD2 ASN 61 -7.492 1.878 -2.970 462 HD22 ASN 61 2HD2 ASN 61 -8.741 2.851 -3.650 463 H GLU 62 H GLU 62 -9.195 2.770 0.193 464 HA GLU 62 HA GLU 62 -11.476 1.993 1.852 465 HB2 GLU 62 2HB GLU 62 -9.826 4.491 1.648 466 HB3 GLU 62 1HB GLU 62 -11.321 4.444 2.576 467 HG2 GLU 62 2HG GLU 62 -9.014 2.556 3.021 468 HG3 GLU 62 1HG GLU 62 -9.234 4.069 3.899 469 H ARG 63 H ARG 63 -11.113 3.174 -1.302 470 HA ARG 63 HA ARG 63 -13.747 4.452 -1.284 471 HB2 ARG 63 2HB ARG 63 -11.720 4.043 -3.492 472 HB3 ARG 63 1HB ARG 63 -13.298 4.786 -3.748 473 HG2 ARG 63 2HG ARG 63 -12.734 6.550 -2.147 474 HG3 ARG 63 1HG ARG 63 -11.158 5.807 -1.878 475 HD2 ARG 63 2HD ARG 63 -10.583 6.188 -4.233 476 HD3 ARG 63 1HD ARG 63 -12.160 6.937 -4.495 477 HE ARG 63 HE ARG 63 -10.744 8.187 -2.369 478 HH11 ARG 63 1HH1 ARG 63 -10.994 8.073 -5.803 479 HH12 ARG 63 2HH1 ARG 63 -10.306 9.645 -6.008 480 HH21 ARG 63 1HH2 ARG 63 -9.916 10.208 -2.648 481 HH22 ARG 63 2HH2 ARG 63 -9.703 10.844 -4.244 482 H THR 64 H THR 64 -12.316 1.397 -2.064 483 HA THR 64 HA THR 64 -14.923 0.409 -3.074 484 HB THR 64 HB THR 64 -13.710 -1.517 -3.992 485 HG1 THR 64 HG1 THR 64 -11.210 -0.353 -3.501 486 HG21 THR 64 3HG2 THR 64 -12.413 1.102 -4.786 487 HG22 THR 64 1HG2 THR 64 -13.938 0.477 -5.415 488 HG23 THR 64 2HG2 THR 64 -12.431 -0.376 -5.748 489 H ARG 65 H ARG 65 -12.772 0.339 -0.447 490 HA ARG 65 HA ARG 65 -12.656 -0.743 1.531 491 HB2 ARG 65 2HB ARG 65 -15.397 -1.887 0.970 492 HB3 ARG 65 1HB ARG 65 -14.634 -1.649 2.534 493 HG2 ARG 65 2HG ARG 65 -15.870 0.375 0.704 494 HG3 ARG 65 1HG ARG 65 -16.210 0.056 2.402 495 HD2 ARG 65 2HD ARG 65 -13.778 1.416 1.243 496 HD3 ARG 65 1HD ARG 65 -15.051 2.156 2.201 497 HE ARG 65 HE ARG 65 -12.768 0.703 3.163 498 HH11 ARG 65 1HH1 ARG 65 -16.003 1.635 3.942 499 HH12 ARG 65 2HH1 ARG 65 -15.691 1.659 5.641 500 HH21 ARG 65 1HH2 ARG 65 -12.376 0.802 5.317 501 HH22 ARG 65 2HH2 ARG 65 -13.657 1.176 6.421 502 H GLN 66 H GLN 66 -11.881 -2.098 -1.028 503 HA GLN 66 HA GLN 66 -12.255 -4.935 -0.333 504 HB2 GLN 66 2HB GLN 66 -11.158 -3.712 -2.878 505 HB3 GLN 66 1HB GLN 66 -11.494 -5.417 -2.610 506 HG2 GLN 66 2HG GLN 66 -13.536 -3.198 -2.638 507 HG3 GLN 66 1HG GLN 66 -13.237 -4.347 -3.940 508 HE21 GLN 66 1HE2 GLN 66 -15.653 -3.803 -2.335 509 HE22 GLN 66 2HE2 GLN 66 -16.108 -5.329 -1.671 510 H ARG 67 H ARG 67 -10.532 -6.373 -0.154 511 HA ARG 67 HA ARG 67 -7.937 -5.212 0.544 512 HB2 ARG 67 2HB ARG 67 -9.120 -7.976 0.879 513 HB3 ARG 67 1HB ARG 67 -7.442 -7.611 1.256 514 HG2 ARG 67 2HG ARG 67 -9.786 -6.205 2.527 515 HG3 ARG 67 1HG ARG 67 -8.992 -7.624 3.215 516 HD2 ARG 67 2HD ARG 67 -7.662 -4.979 2.610 517 HD3 ARG 67 1HD ARG 67 -8.160 -5.535 4.207 518 HE ARG 67 HE ARG 67 -6.275 -7.202 2.727 519 HH11 ARG 67 1HH1 ARG 67 -6.773 -4.880 5.228 520 HH12 ARG 67 2HH1 ARG 67 -5.287 -5.263 6.020 521 HH21 ARG 67 1HH2 ARG 67 -4.375 -7.681 3.760 522 HH22 ARG 67 2HH2 ARG 67 -3.939 -6.811 5.192 523 H GLY 68 H GLY 68 -5.938 -6.096 -0.323 524 HA2 GLY 68 2HA GLY 68 -5.709 -8.014 -2.318 525 HA3 GLY 68 1HA GLY 68 -6.015 -6.495 -3.145 526 H ASP 69 H ASP 69 -3.840 -7.254 -4.008 527 HA ASP 69 HA ASP 69 -1.639 -6.228 -2.321 528 HB2 ASP 69 2HB ASP 69 -1.839 -8.680 -3.558 529 HB3 ASP 69 1HB ASP 69 -0.922 -7.759 -4.746 530 H PHE 70 H PHE 70 -0.655 -4.364 -2.968 531 HA PHE 70 HA PHE 70 -1.083 -3.455 -5.744 532 HB2 PHE 70 2HB PHE 70 -1.618 -1.202 -4.986 533 HB3 PHE 70 1HB PHE 70 -2.749 -2.352 -4.286 534 HD1 PHE 70 HD1 PHE 70 -2.472 -3.028 -1.880 535 HD2 PHE 70 HD2 PHE 70 -0.255 0.172 -3.616 536 HE1 PHE 70 HE1 PHE 70 -1.954 -2.169 0.364 537 HE2 PHE 70 HE2 PHE 70 0.262 1.033 -1.371 538 HZ PHE 70 HZ PHE 70 -0.585 -0.138 0.622 539 HA PRO 71 HA PRO 71 3.269 -2.431 -5.569 540 HB2 PRO 71 2HB PRO 71 3.385 -0.691 -7.665 541 HB3 PRO 71 1HB PRO 71 3.255 -2.442 -7.874 542 HG2 PRO 71 2HG PRO 71 1.100 -0.356 -7.990 543 HG3 PRO 71 1HG PRO 71 1.377 -1.737 -9.069 544 HD2 PRO 71 2HD PRO 71 -0.486 -1.795 -7.106 545 HD3 PRO 71 1HD PRO 71 0.417 -3.245 -7.595 546 H GLY 72 H GLY 72 3.954 -1.198 -3.901 547 HA2 GLY 72 2HA GLY 72 2.686 1.257 -3.147 548 HA3 GLY 72 1HA GLY 72 4.100 0.540 -2.397 549 H THR 73 H THR 73 3.954 1.379 -5.815 550 HA THR 73 HA THR 73 6.111 3.315 -5.425 551 HB THR 73 HB THR 73 4.887 2.324 -8.021 552 HG1 THR 73 HG1 THR 73 7.442 1.549 -7.124 553 HG21 THR 73 3HG2 THR 73 6.958 3.182 -9.050 554 HG22 THR 73 1HG2 THR 73 7.461 3.823 -7.484 555 HG23 THR 73 2HG2 THR 73 6.028 4.471 -8.283 556 H TYR 74 H TYR 74 2.720 3.198 -6.222 557 HA TYR 74 HA TYR 74 2.670 6.003 -7.080 558 HB2 TYR 74 2HB TYR 74 0.433 3.959 -7.042 559 HB3 TYR 74 1HB TYR 74 0.371 5.554 -7.788 560 HD1 TYR 74 HD2 TYR 74 1.759 6.026 -9.809 561 HD2 TYR 74 HD1 TYR 74 1.457 2.106 -8.168 562 HE1 TYR 74 HE2 TYR 74 2.627 5.086 -11.908 563 HE2 TYR 74 HE1 TYR 74 2.332 1.157 -10.262 564 HH TYR 74 HH TYR 74 2.485 1.784 -12.648 565 H VAL 75 H VAL 75 2.689 4.590 -4.182 566 HA VAL 75 HA VAL 75 0.643 6.391 -3.031 567 HB VAL 75 HB VAL 75 0.376 4.870 -1.167 568 HG11 VAL 75 1HG1 VAL 75 0.197 3.405 -3.802 569 HG12 VAL 75 2HG1 VAL 75 -1.035 4.449 -3.095 570 HG13 VAL 75 3HG1 VAL 75 -0.616 2.926 -2.312 571 HG21 VAL 75 3HG2 VAL 75 2.647 4.008 -0.986 572 HG22 VAL 75 1HG2 VAL 75 2.457 3.129 -2.503 573 HG23 VAL 75 2HG2 VAL 75 1.498 2.674 -1.094 574 H GLU 76 H GLU 76 1.201 7.652 -1.245 575 HA GLU 76 HA GLU 76 4.073 7.797 -0.631 576 HB2 GLU 76 2HB GLU 76 3.682 10.001 0.227 577 HB3 GLU 76 1HB GLU 76 2.860 9.881 -1.324 578 HG2 GLU 76 2HG GLU 76 0.727 9.623 -0.231 579 HG3 GLU 76 1HG GLU 76 1.505 9.566 1.350 580 H PHE 77 H PHE 77 4.813 7.892 1.553 581 HA PHE 77 HA PHE 77 3.283 6.236 3.379 582 HB2 PHE 77 2HB PHE 77 5.671 5.808 3.095 583 HB3 PHE 77 1HB PHE 77 6.049 7.450 3.595 584 HD1 PHE 77 HD2 PHE 77 4.217 4.447 4.891 585 HD2 PHE 77 HD1 PHE 77 6.747 7.765 5.768 586 HE1 PHE 77 HE2 PHE 77 4.435 3.676 7.209 587 HE2 PHE 77 HE1 PHE 77 6.959 6.988 8.091 588 HZ PHE 77 HZ PHE 77 5.803 4.939 8.811 589 H LEU 78 H LEU 78 1.708 7.242 4.507 590 HA LEU 78 HA LEU 78 1.878 10.012 5.272 591 HB2 LEU 78 2HB LEU 78 -0.118 7.898 6.102 592 HB3 LEU 78 1HB LEU 78 -0.283 9.624 6.375 593 HG LEU 78 HG LEU 78 -0.297 8.211 3.703 594 HD11 LEU 78 1HD1 LEU 78 -2.386 8.011 4.933 595 HD12 LEU 78 2HD1 LEU 78 -2.579 9.074 3.539 596 HD13 LEU 78 3HD1 LEU 78 -2.440 9.759 5.159 597 HD21 LEU 78 3HD2 LEU 78 0.895 10.313 3.490 598 HD22 LEU 78 1HD2 LEU 78 -0.414 11.169 4.304 599 HD23 LEU 78 2HD2 LEU 78 -0.688 10.432 2.726 600 H GLY 79 H GLY 79 2.228 6.911 6.924 601 HA2 GLY 79 2HA GLY 79 4.054 7.094 8.695 602 HA3 GLY 79 1HA GLY 79 3.033 8.346 9.383 603 HA PRO 80 HA PRO 80 1.869 4.208 11.306 604 HB2 PRO 80 2HB PRO 80 2.509 5.564 13.839 605 HB3 PRO 80 1HB PRO 80 3.080 4.008 13.232 606 HG2 PRO 80 2HG PRO 80 4.699 6.162 13.412 607 HG3 PRO 80 1HG PRO 80 4.877 4.947 12.133 608 HD2 PRO 80 2HD PRO 80 3.600 7.662 12.000 609 HD3 PRO 80 1HD PRO 80 4.665 6.857 10.826 610 H LEU 81 H LEU 81 -0.111 3.845 12.343 611 HA LEU 81 HA LEU 81 -1.982 6.017 12.355 612 HB2 LEU 81 2HB LEU 81 -2.223 3.120 13.174 613 HB3 LEU 81 1HB LEU 81 -3.551 4.256 13.331 614 HG LEU 81 HG LEU 81 -3.461 4.646 10.869 615 HD11 LEU 81 1HD1 LEU 81 -2.238 3.087 9.451 616 HD12 LEU 81 2HD1 LEU 81 -1.503 2.354 10.877 617 HD13 LEU 81 3HD1 LEU 81 -1.142 4.029 10.460 618 HD21 LEU 81 3HD2 LEU 81 -5.070 3.085 11.793 619 HD22 LEU 81 1HD2 LEU 81 -3.875 1.786 11.736 620 HD23 LEU 81 2HD2 LEU 81 -4.473 2.500 10.239 621 H GLU 82 H GLU 82 -3.187 6.796 14.123 622 HA GLU 82 HA GLU 82 -1.641 7.384 16.421 623 HB2 GLU 82 2HB GLU 82 -3.731 8.542 17.203 624 HB3 GLU 82 1HB GLU 82 -3.161 9.030 15.614 625 HG2 GLU 82 2HG GLU 82 -4.842 7.511 14.597 626 HG3 GLU 82 1HG GLU 82 -5.463 7.177 16.212 Start of MODEL 7 1 H1 MET 1 1H MET 1 -8.180 6.553 19.733 2 H2 MET 1 2H MET 1 -8.048 4.962 20.282 3 H3 MET 1 3H MET 1 -8.571 5.270 18.705 4 HA MET 1 HA MET 1 -6.413 6.252 18.175 5 HB2 MET 1 2HB MET 1 -5.953 6.799 20.627 6 HB3 MET 1 1HB MET 1 -5.522 5.108 20.835 7 HG2 MET 1 2HG MET 1 -3.499 6.273 20.538 8 HG3 MET 1 1HG MET 1 -3.809 5.445 19.012 9 HE1 MET 1 3HE MET 1 -2.092 8.700 17.740 10 HE2 MET 1 1HE MET 1 -2.104 6.937 17.697 11 HE3 MET 1 2HE MET 1 -1.682 7.779 19.187 12 H ALA 2 H ALA 2 -6.047 4.819 16.579 13 HA ALA 2 HA ALA 2 -5.952 1.957 17.041 14 HB1 ALA 2 3HB ALA 2 -5.533 1.791 14.634 15 HB2 ALA 2 1HB ALA 2 -5.361 3.544 14.535 16 HB3 ALA 2 2HB ALA 2 -6.916 2.833 14.965 17 H GLY 3 H GLY 3 -3.660 4.537 16.183 18 HA2 GLY 3 2HA GLY 3 -1.392 4.709 16.389 19 HA3 GLY 3 1HA GLY 3 -1.555 3.593 17.728 20 HA PRO 4 HA PRO 4 1.245 1.191 15.277 21 HB2 PRO 4 2HB PRO 4 1.547 -0.923 16.912 22 HB3 PRO 4 1HB PRO 4 2.151 0.684 17.335 23 HG2 PRO 4 2HG PRO 4 -0.376 -0.677 18.212 24 HG3 PRO 4 1HG PRO 4 0.801 0.224 19.185 25 HD2 PRO 4 2HD PRO 4 -1.537 1.313 18.288 26 HD3 PRO 4 1HD PRO 4 -0.068 2.268 18.572 27 H GLU 5 H GLU 5 -1.856 0.678 14.933 28 HA GLU 5 HA GLU 5 -2.202 -2.030 14.288 29 HB2 GLU 5 2HB GLU 5 -3.443 0.480 13.159 30 HB3 GLU 5 1HB GLU 5 -3.897 -1.117 12.575 31 HG2 GLU 5 2HG GLU 5 -4.117 -0.211 15.445 32 HG3 GLU 5 1HG GLU 5 -5.440 -0.203 14.279 33 H GLY 6 H GLY 6 -0.565 0.529 12.568 34 HA2 GLY 6 2HA GLY 6 1.129 -0.961 11.058 35 HA3 GLY 6 1HA GLY 6 -0.334 -0.926 10.085 36 H PHE 7 H PHE 7 0.562 0.280 8.415 37 HA PHE 7 HA PHE 7 0.971 3.130 9.036 38 HB2 PHE 7 2HB PHE 7 2.678 1.461 7.167 39 HB3 PHE 7 1HB PHE 7 2.757 3.215 7.291 40 HD1 PHE 7 HD1 PHE 7 3.583 4.274 9.377 41 HD2 PHE 7 HD2 PHE 7 3.732 0.057 8.785 42 HE1 PHE 7 HE1 PHE 7 5.205 4.075 11.214 43 HE2 PHE 7 HE2 PHE 7 5.364 -0.144 10.615 44 HZ PHE 7 HZ PHE 7 6.100 1.865 11.834 45 H GLN 8 H GLN 8 -0.011 4.544 7.667 46 HA GLN 8 HA GLN 8 -1.728 3.410 5.586 47 HB2 GLN 8 2HB GLN 8 -1.694 6.120 6.923 48 HB3 GLN 8 1HB GLN 8 -2.775 5.707 5.600 49 HG2 GLN 8 2HG GLN 8 -3.747 3.910 6.967 50 HG3 GLN 8 1HG GLN 8 -2.678 4.359 8.295 51 HE21 GLN 8 1HE2 GLN 8 -5.613 4.336 8.135 52 HE22 GLN 8 2HE2 GLN 8 -6.116 5.940 8.528 53 H TYR 9 H TYR 9 -1.303 3.572 3.496 54 HA TYR 9 HA TYR 9 0.584 5.637 2.527 55 HB2 TYR 9 2HB TYR 9 -0.050 2.943 1.284 56 HB3 TYR 9 1HB TYR 9 1.129 4.108 0.692 57 HD1 TYR 9 HD1 TYR 9 0.405 1.601 3.283 58 HD2 TYR 9 HD2 TYR 9 3.298 4.344 1.777 59 HE1 TYR 9 HE1 TYR 9 2.136 0.526 4.657 60 HE2 TYR 9 HE2 TYR 9 5.033 3.270 3.149 61 HH TYR 9 HH TYR 9 4.559 0.279 4.712 62 H ARG 10 H ARG 10 -0.269 7.136 1.181 63 HA ARG 10 HA ARG 10 -3.057 6.768 0.337 64 HB2 ARG 10 2HB ARG 10 -2.648 8.731 1.669 65 HB3 ARG 10 1HB ARG 10 -1.343 9.240 0.608 66 HG2 ARG 10 2HG ARG 10 -2.935 9.631 -1.197 67 HG3 ARG 10 1HG ARG 10 -4.256 9.072 -0.165 68 HD2 ARG 10 2HD ARG 10 -3.923 10.917 1.348 69 HD3 ARG 10 1HD ARG 10 -2.476 11.426 0.476 70 HE ARG 10 HE ARG 10 -3.980 11.898 -1.432 71 HH11 ARG 10 1HH1 ARG 10 -5.321 11.804 1.750 72 HH12 ARG 10 2HH1 ARG 10 -6.616 12.875 1.338 73 HH21 ARG 10 1HH2 ARG 10 -5.627 13.246 -1.936 74 HH22 ARG 10 2HH2 ARG 10 -6.792 13.682 -0.732 75 H ALA 11 H ALA 11 -3.574 6.368 -1.715 76 HA ALA 11 HA ALA 11 -1.651 6.229 -3.807 77 HB1 ALA 11 3HB ALA 11 -3.615 4.764 -3.707 78 HB2 ALA 11 1HB ALA 11 -3.525 5.632 -5.241 79 HB3 ALA 11 2HB ALA 11 -4.664 6.153 -3.998 80 H LEU 12 H LEU 12 -0.982 7.729 -5.224 81 HA LEU 12 HA LEU 12 -2.025 10.430 -4.993 82 HB2 LEU 12 2HB LEU 12 0.269 9.385 -6.663 83 HB3 LEU 12 1HB LEU 12 -0.090 11.073 -6.337 84 HG LEU 12 HG LEU 12 0.786 9.013 -4.300 85 HD11 LEU 12 1HD1 LEU 12 2.823 10.338 -4.143 86 HD12 LEU 12 2HD1 LEU 12 2.227 11.429 -5.396 87 HD13 LEU 12 3HD1 LEU 12 2.586 9.745 -5.788 88 HD21 LEU 12 3HD2 LEU 12 -0.776 10.600 -3.306 89 HD22 LEU 12 1HD2 LEU 12 0.174 11.948 -3.933 90 HD23 LEU 12 2HD2 LEU 12 0.860 10.877 -2.712 91 H TYR 13 H TYR 13 -1.417 8.188 -7.727 92 HA TYR 13 HA TYR 13 -3.403 9.715 -9.302 93 HB2 TYR 13 2HB TYR 13 -0.995 8.157 -10.283 94 HB3 TYR 13 1HB TYR 13 -2.189 8.924 -11.324 95 HD1 TYR 13 HD1 TYR 13 -2.358 11.414 -11.390 96 HD2 TYR 13 HD2 TYR 13 0.753 9.434 -9.252 97 HE1 TYR 13 HE1 TYR 13 -1.069 13.509 -11.330 98 HE2 TYR 13 HE2 TYR 13 2.039 11.527 -9.182 99 HH TYR 13 HH TYR 13 0.705 14.543 -9.937 100 HA PRO 14 HA PRO 14 -5.833 6.016 -9.594 101 HB2 PRO 14 2HB PRO 14 -7.228 6.469 -11.871 102 HB3 PRO 14 1HB PRO 14 -7.522 7.361 -10.374 103 HG2 PRO 14 2HG PRO 14 -5.952 8.177 -12.794 104 HG3 PRO 14 1HG PRO 14 -7.083 9.135 -11.822 105 HD2 PRO 14 2HD PRO 14 -4.369 9.301 -11.564 106 HD3 PRO 14 1HD PRO 14 -5.494 9.620 -10.229 107 H PHE 15 H PHE 15 -4.996 4.078 -10.037 108 HA PHE 15 HA PHE 15 -4.321 3.435 -12.838 109 HB2 PHE 15 2HB PHE 15 -2.839 2.531 -10.353 110 HB3 PHE 15 1HB PHE 15 -2.594 1.831 -11.950 111 HD1 PHE 15 HD2 PHE 15 -1.619 3.207 -13.767 112 HD2 PHE 15 HD1 PHE 15 -1.868 4.626 -9.758 113 HE1 PHE 15 HE2 PHE 15 0.036 4.951 -14.284 114 HE2 PHE 15 HE1 PHE 15 -0.215 6.371 -10.272 115 HZ PHE 15 HZ PHE 15 0.740 6.538 -12.535 116 H ARG 16 H ARG 16 -5.881 2.135 -13.538 117 HA ARG 16 HA ARG 16 -7.234 0.278 -11.755 118 HB2 ARG 16 2HB ARG 16 -7.652 0.864 -14.698 119 HB3 ARG 16 1HB ARG 16 -8.666 -0.198 -13.724 120 HG2 ARG 16 2HG ARG 16 -9.316 1.675 -12.308 121 HG3 ARG 16 1HG ARG 16 -8.258 2.752 -13.223 122 HD2 ARG 16 2HD ARG 16 -10.675 1.284 -14.294 123 HD3 ARG 16 1HD ARG 16 -10.582 3.006 -13.925 124 HE ARG 16 HE ARG 16 -9.198 1.639 -16.131 125 HH11 ARG 16 1HH1 ARG 16 -10.305 4.555 -14.648 126 HH12 ARG 16 2HH1 ARG 16 -9.891 5.522 -16.023 127 HH21 ARG 16 1HH2 ARG 16 -8.700 2.900 -17.870 128 HH22 ARG 16 2HH2 ARG 16 -9.002 4.603 -17.813 129 H ARG 17 H ARG 17 -7.555 -2.021 -12.453 130 HA ARG 17 HA ARG 17 -4.947 -3.077 -13.349 131 HB2 ARG 17 2HB ARG 17 -6.874 -3.934 -11.251 132 HB3 ARG 17 1HB ARG 17 -6.001 -5.204 -12.097 133 HG2 ARG 17 2HG ARG 17 -4.904 -4.493 -10.007 134 HG3 ARG 17 1HG ARG 17 -3.888 -4.283 -11.432 135 HD2 ARG 17 2HD ARG 17 -4.623 -1.872 -11.471 136 HD3 ARG 17 1HD ARG 17 -5.382 -2.155 -9.905 137 HE ARG 17 HE ARG 17 -3.117 -2.731 -9.086 138 HH11 ARG 17 1HH1 ARG 17 -3.469 -0.730 -11.866 139 HH12 ARG 17 2HH1 ARG 17 -1.883 -0.059 -11.716 140 HH21 ARG 17 1HH2 ARG 17 -1.115 -1.897 -8.901 141 HH22 ARG 17 2HH2 ARG 17 -0.568 -0.689 -10.018 142 H GLU 18 H GLU 18 -4.766 -4.359 -15.057 143 HA GLU 18 HA GLU 18 -6.988 -5.266 -16.616 144 HB2 GLU 18 2HB GLU 18 -4.776 -4.798 -17.598 145 HB3 GLU 18 1HB GLU 18 -4.068 -6.090 -16.644 146 HG2 GLU 18 2HG GLU 18 -4.355 -6.870 -18.878 147 HG3 GLU 18 1HG GLU 18 -5.513 -7.710 -17.851 148 H ARG 19 H ARG 19 -4.677 -6.832 -14.420 149 HA ARG 19 HA ARG 19 -6.539 -9.101 -14.093 150 HB2 ARG 19 2HB ARG 19 -3.570 -8.938 -13.511 151 HB3 ARG 19 1HB ARG 19 -4.579 -10.345 -13.208 152 HG2 ARG 19 2HG ARG 19 -4.099 -9.127 -15.928 153 HG3 ARG 19 1HG ARG 19 -3.233 -10.522 -15.278 154 HD2 ARG 19 2HD ARG 19 -5.307 -11.784 -15.152 155 HD3 ARG 19 1HD ARG 19 -6.224 -10.378 -15.694 156 HE ARG 19 HE ARG 19 -4.408 -10.804 -17.682 157 HH11 ARG 19 1HH1 ARG 19 -6.781 -12.776 -16.147 158 HH12 ARG 19 2HH1 ARG 19 -7.098 -13.690 -17.578 159 HH21 ARG 19 1HH2 ARG 19 -4.844 -11.989 -19.513 160 HH22 ARG 19 2HH2 ARG 19 -6.022 -13.253 -19.449 161 HA PRO 20 HA PRO 20 -7.474 -7.162 -10.126 162 HB2 PRO 20 2HB PRO 20 -8.635 -9.842 -9.557 163 HB3 PRO 20 1HB PRO 20 -9.381 -8.243 -9.454 164 HG2 PRO 20 2HG PRO 20 -9.989 -9.901 -11.450 165 HG3 PRO 20 1HG PRO 20 -9.824 -8.159 -11.733 166 HD2 PRO 20 2HD PRO 20 -7.899 -10.372 -12.353 167 HD3 PRO 20 1HD PRO 20 -8.318 -8.942 -13.320 168 H GLU 21 H GLU 21 -5.351 -9.716 -10.668 169 HA GLU 21 HA GLU 21 -4.667 -10.659 -8.143 170 HB2 GLU 21 2HB GLU 21 -2.705 -10.005 -10.355 171 HB3 GLU 21 1HB GLU 21 -2.482 -11.176 -9.062 172 HG2 GLU 21 2HG GLU 21 -4.407 -11.343 -11.372 173 HG3 GLU 21 1HG GLU 21 -2.988 -12.346 -11.085 174 H ASP 22 H ASP 22 -3.675 -7.667 -9.746 175 HA ASP 22 HA ASP 22 -2.133 -6.766 -7.431 176 HB2 ASP 22 2HB ASP 22 -1.472 -6.399 -9.891 177 HB3 ASP 22 1HB ASP 22 -2.764 -5.209 -9.958 178 H LEU 23 H LEU 23 -2.650 -4.496 -6.560 179 HA LEU 23 HA LEU 23 -5.568 -4.317 -6.162 180 HB2 LEU 23 2HB LEU 23 -4.116 -4.571 -4.167 181 HB3 LEU 23 1HB LEU 23 -3.337 -3.050 -4.558 182 HG LEU 23 HG LEU 23 -5.465 -1.855 -4.206 183 HD11 LEU 23 1HD1 LEU 23 -7.381 -3.037 -3.209 184 HD12 LEU 23 2HD1 LEU 23 -6.546 -4.573 -3.454 185 HD13 LEU 23 3HD1 LEU 23 -7.027 -3.597 -4.843 186 HD21 LEU 23 3HD2 LEU 23 -4.707 -3.639 -1.886 187 HD22 LEU 23 1HD2 LEU 23 -5.591 -2.116 -1.780 188 HD23 LEU 23 2HD2 LEU 23 -3.916 -2.127 -2.327 189 H GLU 24 H GLU 24 -6.745 -2.557 -6.746 190 HA GLU 24 HA GLU 24 -5.532 -0.713 -8.595 191 HB2 GLU 24 2HB GLU 24 -8.389 -0.811 -7.598 192 HB3 GLU 24 1HB GLU 24 -7.806 0.093 -8.991 193 HG2 GLU 24 2HG GLU 24 -7.108 -2.089 -10.009 194 HG3 GLU 24 1HG GLU 24 -7.919 -2.904 -8.675 195 H LEU 25 H LEU 25 -5.567 1.568 -8.475 196 HA LEU 25 HA LEU 25 -5.711 2.680 -5.738 197 HB2 LEU 25 2HB LEU 25 -3.621 3.288 -7.842 198 HB3 LEU 25 1HB LEU 25 -3.726 4.044 -6.265 199 HG LEU 25 HG LEU 25 -3.161 1.110 -6.753 200 HD11 LEU 25 1HD1 LEU 25 -1.311 2.546 -7.469 201 HD12 LEU 25 2HD1 LEU 25 -0.889 1.616 -6.030 202 HD13 LEU 25 3HD1 LEU 25 -1.300 3.327 -5.886 203 HD21 LEU 25 3HD2 LEU 25 -3.136 2.724 -4.197 204 HD22 LEU 25 1HD2 LEU 25 -2.636 1.040 -4.359 205 HD23 LEU 25 2HD2 LEU 25 -4.317 1.489 -4.639 206 H LEU 26 H LEU 26 -7.101 4.374 -5.613 207 HA LEU 26 HA LEU 26 -7.434 6.100 -7.993 208 HB2 LEU 26 2HB LEU 26 -9.302 5.473 -5.708 209 HB3 LEU 26 1HB LEU 26 -9.528 6.898 -6.700 210 HG LEU 26 HG LEU 26 -11.000 5.135 -7.459 211 HD11 LEU 26 1HD1 LEU 26 -10.370 5.026 -9.812 212 HD12 LEU 26 2HD1 LEU 26 -8.735 5.553 -9.408 213 HD13 LEU 26 3HD1 LEU 26 -10.102 6.637 -9.150 214 HD21 LEU 26 3HD2 LEU 26 -9.717 3.206 -6.648 215 HD22 LEU 26 1HD2 LEU 26 -8.531 3.462 -7.928 216 HD23 LEU 26 2HD2 LEU 26 -10.189 3.019 -8.335 217 HA PRO 27 HA PRO 27 -5.372 9.390 -5.956 218 HB2 PRO 27 2HB PRO 27 -6.769 11.605 -6.752 219 HB3 PRO 27 1HB PRO 27 -5.683 10.705 -7.818 220 HG2 PRO 27 2HG PRO 27 -8.669 10.546 -7.589 221 HG3 PRO 27 1HG PRO 27 -7.661 10.584 -9.048 222 HD2 PRO 27 2HD PRO 27 -8.695 8.282 -8.085 223 HD3 PRO 27 1HD PRO 27 -7.107 8.340 -8.875 224 H GLY 28 H GLY 28 -5.580 9.259 -3.758 225 HA2 GLY 28 2HA GLY 28 -6.385 10.701 -1.898 226 HA3 GLY 28 1HA GLY 28 -8.000 10.482 -2.548 227 H ASP 29 H ASP 29 -7.052 7.537 -3.071 228 HA ASP 29 HA ASP 29 -8.268 6.347 -0.846 229 HB2 ASP 29 2HB ASP 29 -6.317 5.178 -2.843 230 HB3 ASP 29 1HB ASP 29 -7.220 4.222 -1.676 231 H VAL 30 H VAL 30 -7.553 6.262 1.207 232 HA VAL 30 HA VAL 30 -4.678 6.282 1.771 233 HB VAL 30 HB VAL 30 -7.008 6.380 3.707 234 HG11 VAL 30 1HG1 VAL 30 -4.982 5.537 4.759 235 HG12 VAL 30 2HG1 VAL 30 -5.326 7.170 5.329 236 HG13 VAL 30 3HG1 VAL 30 -4.060 6.904 4.131 237 HG21 VAL 30 3HG2 VAL 30 -5.287 8.635 2.654 238 HG22 VAL 30 1HG2 VAL 30 -6.548 8.778 3.880 239 HG23 VAL 30 2HG2 VAL 30 -6.973 8.337 2.225 240 H LEU 31 H LEU 31 -3.979 4.211 1.259 241 HA LEU 31 HA LEU 31 -5.497 1.896 2.054 242 HB2 LEU 31 2HB LEU 31 -2.775 2.129 0.770 243 HB3 LEU 31 1HB LEU 31 -3.580 0.606 1.100 244 HG LEU 31 HG LEU 31 -5.505 1.518 -0.360 245 HD11 LEU 31 1HD1 LEU 31 -4.848 3.135 -2.071 246 HD12 LEU 31 2HD1 LEU 31 -3.298 3.365 -1.261 247 HD13 LEU 31 3HD1 LEU 31 -4.794 3.840 -0.456 248 HD21 LEU 31 3HD2 LEU 31 -4.027 -0.314 -1.023 249 HD22 LEU 31 1HD2 LEU 31 -2.860 0.851 -1.650 250 HD23 LEU 31 2HD2 LEU 31 -4.454 0.706 -2.395 251 H VAL 32 H VAL 32 -5.422 0.915 3.935 252 HA VAL 32 HA VAL 32 -3.300 1.564 5.842 253 HB VAL 32 HB VAL 32 -5.851 -0.016 6.277 254 HG11 VAL 32 1HG1 VAL 32 -4.141 -0.537 7.934 255 HG12 VAL 32 2HG1 VAL 32 -5.431 0.416 8.669 256 HG13 VAL 32 3HG1 VAL 32 -3.897 1.179 8.251 257 HG21 VAL 32 3HG2 VAL 32 -6.371 2.267 5.610 258 HG22 VAL 32 1HG2 VAL 32 -5.256 2.900 6.820 259 HG23 VAL 32 2HG2 VAL 32 -6.713 2.048 7.325 260 H VAL 33 H VAL 33 -1.540 0.307 5.791 261 HA VAL 33 HA VAL 33 -1.820 -2.587 5.312 262 HB VAL 33 HB VAL 33 0.701 -0.905 5.362 263 HG11 VAL 33 1HG1 VAL 33 0.269 -3.779 4.522 264 HG12 VAL 33 2HG1 VAL 33 1.128 -3.229 5.960 265 HG13 VAL 33 3HG1 VAL 33 1.778 -2.879 4.359 266 HG21 VAL 33 3HG2 VAL 33 -0.708 -0.286 3.480 267 HG22 VAL 33 1HG2 VAL 33 -0.873 -1.979 3.016 268 HG23 VAL 33 2HG2 VAL 33 0.700 -1.186 2.912 269 H SER 34 H SER 34 -1.763 -3.932 7.012 270 HA SER 34 HA SER 34 -1.290 -3.024 9.666 271 HB2 SER 34 2HB SER 34 -1.588 -5.372 10.332 272 HB3 SER 34 1HB SER 34 -2.828 -4.894 9.172 273 HG SER 34 HG SER 34 -2.165 -6.707 8.267 274 H ARG 35 H ARG 35 0.469 -3.269 11.019 275 HA ARG 35 HA ARG 35 3.030 -3.393 9.825 276 HB2 ARG 35 2HB ARG 35 2.589 -2.130 11.894 277 HB3 ARG 35 1HB ARG 35 2.308 -3.636 12.759 278 HG2 ARG 35 2HG ARG 35 4.595 -4.299 12.485 279 HG3 ARG 35 1HG ARG 35 4.909 -2.942 11.404 280 HD2 ARG 35 2HD ARG 35 4.511 -1.376 13.254 281 HD3 ARG 35 1HD ARG 35 4.191 -2.737 14.332 282 HE ARG 35 HE ARG 35 6.473 -3.318 14.248 283 HH11 ARG 35 1HH1 ARG 35 5.786 -0.375 12.596 284 HH12 ARG 35 2HH1 ARG 35 7.452 0.068 12.474 285 HH21 ARG 35 1HH2 ARG 35 8.597 -2.736 14.093 286 HH22 ARG 35 2HH2 ARG 35 9.022 -1.238 13.337 287 H ALA 36 H ALA 36 1.067 -5.803 11.473 288 HA ALA 36 HA ALA 36 2.903 -7.894 11.680 289 HB1 ALA 36 3HB ALA 36 -0.051 -8.032 11.080 290 HB2 ALA 36 1HB ALA 36 0.689 -7.994 12.679 291 HB3 ALA 36 2HB ALA 36 0.944 -9.384 11.621 292 H ALA 37 H ALA 37 0.867 -6.929 8.909 293 HA ALA 37 HA ALA 37 1.605 -8.962 7.123 294 HB1 ALA 37 3HB ALA 37 0.860 -7.461 5.356 295 HB2 ALA 37 1HB ALA 37 0.917 -6.093 6.470 296 HB3 ALA 37 2HB ALA 37 -0.246 -7.393 6.727 297 H LEU 38 H LEU 38 3.107 -5.800 7.744 298 HA LEU 38 HA LEU 38 5.168 -5.929 5.849 299 HB2 LEU 38 2HB LEU 38 5.173 -4.625 8.577 300 HB3 LEU 38 1HB LEU 38 6.363 -4.321 7.325 301 HG LEU 38 HG LEU 38 3.410 -3.690 7.129 302 HD11 LEU 38 1HD1 LEU 38 4.568 -2.227 8.700 303 HD12 LEU 38 2HD1 LEU 38 4.121 -1.351 7.236 304 HD13 LEU 38 3HD1 LEU 38 5.792 -1.865 7.483 305 HD21 LEU 38 3HD2 LEU 38 5.674 -3.103 5.212 306 HD22 LEU 38 1HD2 LEU 38 4.014 -2.528 5.055 307 HD23 LEU 38 2HD2 LEU 38 4.360 -4.254 4.957 308 H GLN 39 H GLN 39 5.090 -7.107 9.212 309 HA GLN 39 HA GLN 39 7.731 -8.114 9.279 310 HB2 GLN 39 2HB GLN 39 5.292 -9.053 10.813 311 HB3 GLN 39 1HB GLN 39 6.953 -9.485 11.193 312 HG2 GLN 39 2HG GLN 39 5.756 -6.720 11.303 313 HG3 GLN 39 1HG GLN 39 6.151 -7.746 12.679 314 HE21 GLN 39 1HE2 GLN 39 7.116 -5.089 12.095 315 HE22 GLN 39 2HE2 GLN 39 8.835 -5.202 11.993 316 H ALA 40 H ALA 40 4.673 -9.553 8.230 317 HA ALA 40 HA ALA 40 5.637 -12.173 7.744 318 HB1 ALA 40 3HB ALA 40 3.247 -11.622 7.929 319 HB2 ALA 40 1HB ALA 40 3.609 -12.487 6.435 320 HB3 ALA 40 2HB ALA 40 3.339 -10.744 6.403 321 H LEU 41 H LEU 41 5.577 -9.253 5.769 322 HA LEU 41 HA LEU 41 6.527 -10.471 3.362 323 HB2 LEU 41 2HB LEU 41 6.708 -7.599 4.281 324 HB3 LEU 41 1HB LEU 41 7.022 -8.159 2.650 325 HG LEU 41 HG LEU 41 4.347 -8.309 4.056 326 HD11 LEU 41 1HD1 LEU 41 5.320 -6.449 1.883 327 HD12 LEU 41 2HD1 LEU 41 5.006 -6.012 3.563 328 HD13 LEU 41 3HD1 LEU 41 3.678 -6.526 2.526 329 HD21 LEU 41 3HD2 LEU 41 4.605 -10.103 2.437 330 HD22 LEU 41 1HD2 LEU 41 5.140 -8.952 1.209 331 HD23 LEU 41 2HD2 LEU 41 3.485 -8.888 1.819 332 H GLY 42 H GLY 42 8.062 -9.546 6.296 333 HA2 GLY 42 2HA GLY 42 10.278 -9.865 6.941 334 HA3 GLY 42 1HA GLY 42 10.684 -10.268 5.280 335 H VAL 43 H VAL 43 8.992 -7.326 6.131 336 HA VAL 43 HA VAL 43 11.019 -5.722 4.845 337 HB VAL 43 HB VAL 43 8.511 -4.844 6.305 338 HG11 VAL 43 1HG1 VAL 43 10.141 -3.034 6.117 339 HG12 VAL 43 2HG1 VAL 43 8.760 -2.741 5.062 340 HG13 VAL 43 3HG1 VAL 43 10.281 -3.320 4.381 341 HG21 VAL 43 3HG2 VAL 43 8.984 -5.318 3.357 342 HG22 VAL 43 1HG2 VAL 43 7.517 -4.639 4.065 343 HG23 VAL 43 2HG2 VAL 43 7.984 -6.301 4.426 344 H ALA 44 H ALA 44 12.705 -4.778 5.809 345 HA ALA 44 HA ALA 44 13.185 -4.961 8.604 346 HB1 ALA 44 3HB ALA 44 14.625 -3.289 6.543 347 HB2 ALA 44 1HB ALA 44 14.974 -4.976 6.920 348 HB3 ALA 44 2HB ALA 44 15.226 -3.730 8.142 349 H GLU 45 H GLU 45 12.982 -3.488 10.216 350 HA GLU 45 HA GLU 45 11.168 -1.384 10.088 351 HB2 GLU 45 2HB GLU 45 11.967 -0.721 12.290 352 HB3 GLU 45 1HB GLU 45 11.846 -2.469 12.189 353 HG2 GLU 45 2HG GLU 45 14.385 -0.846 12.032 354 HG3 GLU 45 1HG GLU 45 13.832 -1.788 13.413 355 H GLY 46 H GLY 46 11.267 0.634 9.283 356 HA2 GLY 46 2HA GLY 46 12.491 2.731 8.994 357 HA3 GLY 46 1HA GLY 46 13.944 1.781 8.712 358 H GLY 47 H GLY 47 11.940 -0.047 7.104 359 HA2 GLY 47 2HA GLY 47 12.524 1.171 4.535 360 HA3 GLY 47 1HA GLY 47 11.785 -0.399 4.808 361 H GLU 48 H GLU 48 9.740 0.917 6.613 362 HA GLU 48 HA GLU 48 7.677 1.153 4.734 363 HB2 GLU 48 2HB GLU 48 6.253 1.835 6.555 364 HB3 GLU 48 1HB GLU 48 7.337 0.578 7.120 365 HG2 GLU 48 2HG GLU 48 7.630 3.533 7.648 366 HG3 GLU 48 1HG GLU 48 7.030 2.329 8.786 367 H ARG 49 H ARG 49 9.809 3.599 6.053 368 HA ARG 49 HA ARG 49 8.475 5.940 5.352 369 HB2 ARG 49 2HB ARG 49 11.441 5.355 5.244 370 HB3 ARG 49 1HB ARG 49 10.738 6.965 5.169 371 HG2 ARG 49 2HG ARG 49 9.893 6.768 7.408 372 HG3 ARG 49 1HG ARG 49 10.385 5.074 7.488 373 HD2 ARG 49 2HD ARG 49 12.208 7.470 7.240 374 HD3 ARG 49 1HD ARG 49 11.984 6.466 8.675 375 HE ARG 49 HE ARG 49 12.852 4.604 7.132 376 HH11 ARG 49 1HH1 ARG 49 13.866 7.889 6.955 377 HH12 ARG 49 2HH1 ARG 49 15.424 7.487 6.326 378 HH21 ARG 49 1HH2 ARG 49 14.856 4.105 6.296 379 HH22 ARG 49 2HH2 ARG 49 15.986 5.375 5.977 380 H CYS 50 H CYS 50 10.117 3.641 3.287 381 HA CYS 50 HA CYS 50 9.306 5.218 0.931 382 HB2 CYS 50 2HB CYS 50 11.985 3.836 1.267 383 HB3 CYS 50 1HB CYS 50 11.397 4.536 -0.237 384 HG CYS 50 HG CYS 50 13.041 6.485 0.429 385 HA PRO 51 HA PRO 51 7.441 0.987 0.828 386 HB2 PRO 51 2HB PRO 51 5.440 1.767 -0.927 387 HB3 PRO 51 1HB PRO 51 5.324 1.840 0.832 388 HG2 PRO 51 2HG PRO 51 6.028 4.010 -1.113 389 HG3 PRO 51 1HG PRO 51 4.975 4.084 0.315 390 HD2 PRO 51 2HD PRO 51 7.467 5.045 0.400 391 HD3 PRO 51 1HD PRO 51 6.780 4.179 1.792 392 H GLN 52 H GLN 52 8.510 3.074 -1.778 393 HA GLN 52 HA GLN 52 8.231 1.335 -3.957 394 HB2 GLN 52 2HB GLN 52 9.914 2.701 -5.078 395 HB3 GLN 52 1HB GLN 52 8.781 3.717 -4.198 396 HG2 GLN 52 2HG GLN 52 10.371 4.119 -2.462 397 HG3 GLN 52 1HG GLN 52 11.481 2.923 -3.125 398 HE21 GLN 52 1HE2 GLN 52 11.069 3.759 -5.882 399 HE22 GLN 52 2HE2 GLN 52 11.889 5.268 -6.056 400 H SER 53 H SER 53 10.505 1.268 -1.342 401 HA SER 53 HA SER 53 12.601 -0.177 -2.596 402 HB2 SER 53 2HB SER 53 12.921 1.033 -0.474 403 HB3 SER 53 1HB SER 53 11.833 -0.092 0.338 404 HG SER 53 HG SER 53 13.969 -0.718 0.689 405 H VAL 54 H VAL 54 9.596 -1.167 -1.107 406 HA VAL 54 HA VAL 54 10.322 -4.000 -1.179 407 HB VAL 54 HB VAL 54 7.727 -2.722 -0.277 408 HG11 VAL 54 1HG1 VAL 54 8.796 -5.514 0.182 409 HG12 VAL 54 2HG1 VAL 54 7.487 -5.079 -0.919 410 HG13 VAL 54 3HG1 VAL 54 7.285 -4.860 0.820 411 HG21 VAL 54 3HG2 VAL 54 9.611 -1.969 1.094 412 HG22 VAL 54 1HG2 VAL 54 10.084 -3.644 1.378 413 HG23 VAL 54 2HG2 VAL 54 8.551 -3.041 2.006 414 H GLY 55 H GLY 55 7.614 -1.993 -2.410 415 HA2 GLY 55 2HA GLY 55 7.057 -2.093 -4.789 416 HA3 GLY 55 1HA GLY 55 7.456 -3.802 -4.757 417 H TRP 56 H TRP 56 5.967 -5.272 -3.776 418 HA TRP 56 HA TRP 56 3.212 -4.245 -3.792 419 HB2 TRP 56 2HB TRP 56 4.345 -6.994 -4.304 420 HB3 TRP 56 1HB TRP 56 2.623 -6.713 -4.073 421 HD1 TRP 56 HD1 TRP 56 2.026 -4.262 -5.798 422 HE1 TRP 56 HE1 TRP 56 2.275 -4.310 -8.352 423 HE3 TRP 56 HE3 TRP 56 5.306 -8.169 -6.224 424 HZ2 TRP 56 HZ2 TRP 56 3.679 -5.791 -10.296 425 HZ3 TRP 56 HZ3 TRP 56 6.049 -8.838 -8.477 426 HH2 TRP 56 HH2 TRP 56 5.250 -7.671 -10.470 427 H MET 57 H MET 57 2.569 -3.721 -1.806 428 HA MET 57 HA MET 57 2.905 -5.713 0.355 429 HB2 MET 57 2HB MET 57 2.462 -2.725 0.610 430 HB3 MET 57 1HB MET 57 2.591 -3.852 1.952 431 HG2 MET 57 2HG MET 57 4.669 -2.715 1.739 432 HG3 MET 57 1HG MET 57 4.909 -4.377 1.204 433 HE1 MET 57 3HE MET 57 3.131 -1.495 -0.795 434 HE2 MET 57 1HE MET 57 4.480 -0.821 -1.707 435 HE3 MET 57 2HE MET 57 4.424 -0.642 0.048 436 HA PRO 58 HA PRO 58 -1.558 -6.077 0.175 437 HB2 PRO 58 2HB PRO 58 -1.959 -7.513 2.436 438 HB3 PRO 58 1HB PRO 58 -1.248 -8.217 0.977 439 HG2 PRO 58 2HG PRO 58 0.108 -7.243 3.466 440 HG3 PRO 58 1HG PRO 58 0.434 -8.701 2.511 441 HD2 PRO 58 2HD PRO 58 1.914 -6.410 2.323 442 HD3 PRO 58 1HD PRO 58 1.724 -7.561 0.987 443 H GLY 59 H GLY 59 -2.815 -4.349 0.560 444 HA2 GLY 59 2HA GLY 59 -3.045 -3.357 3.333 445 HA3 GLY 59 1HA GLY 59 -2.756 -2.223 2.027 446 H LEU 60 H LEU 60 -4.896 -1.752 3.532 447 HA LEU 60 HA LEU 60 -7.249 -2.896 2.201 448 HB2 LEU 60 2HB LEU 60 -7.271 -2.850 4.636 449 HB3 LEU 60 1HB LEU 60 -7.002 -1.118 4.634 450 HG LEU 60 HG LEU 60 -9.218 -0.782 3.583 451 HD11 LEU 60 1HD1 LEU 60 -10.799 -2.645 3.438 452 HD12 LEU 60 2HD1 LEU 60 -9.523 -3.766 3.916 453 HD13 LEU 60 3HD1 LEU 60 -9.406 -2.895 2.386 454 HD21 LEU 60 3HD2 LEU 60 -9.311 -2.427 6.113 455 HD22 LEU 60 1HD2 LEU 60 -10.576 -1.341 5.537 456 HD23 LEU 60 2HD2 LEU 60 -9.008 -0.691 6.022 457 H ASN 61 H ASN 61 -7.950 -1.893 0.433 458 HA ASN 61 HA ASN 61 -7.351 0.836 -0.193 459 HB2 ASN 61 2HB ASN 61 -7.533 -0.778 -1.981 460 HB3 ASN 61 1HB ASN 61 -9.173 -1.204 -1.498 461 HD21 ASN 61 1HD2 ASN 61 -7.182 1.186 -3.057 462 HD22 ASN 61 2HD2 ASN 61 -8.481 2.077 -3.768 463 H GLU 62 H GLU 62 -8.455 2.629 0.440 464 HA GLU 62 HA GLU 62 -10.834 2.429 2.007 465 HB2 GLU 62 2HB GLU 62 -9.170 4.714 1.015 466 HB3 GLU 62 1HB GLU 62 -10.753 5.036 1.710 467 HG2 GLU 62 2HG GLU 62 -8.503 3.580 3.088 468 HG3 GLU 62 1HG GLU 62 -8.954 5.264 3.353 469 H ARG 63 H ARG 63 -10.365 2.787 -1.393 470 HA ARG 63 HA ARG 63 -12.681 4.287 -2.030 471 HB2 ARG 63 2HB ARG 63 -10.681 3.802 -3.527 472 HB3 ARG 63 1HB ARG 63 -11.371 2.211 -3.795 473 HG2 ARG 63 2HG ARG 63 -12.057 3.429 -5.650 474 HG3 ARG 63 1HG ARG 63 -13.468 3.467 -4.596 475 HD2 ARG 63 2HD ARG 63 -11.412 5.671 -4.664 476 HD3 ARG 63 1HD ARG 63 -12.829 5.653 -5.709 477 HE ARG 63 HE ARG 63 -14.162 5.657 -3.601 478 HH11 ARG 63 1HH1 ARG 63 -10.894 6.750 -3.480 479 HH12 ARG 63 2HH1 ARG 63 -11.240 7.954 -2.288 480 HH21 ARG 63 1HH2 ARG 63 -14.580 7.203 -2.049 481 HH22 ARG 63 2HH2 ARG 63 -13.283 8.202 -1.485 482 H THR 64 H THR 64 -12.122 0.764 -2.380 483 HA THR 64 HA THR 64 -15.038 0.336 -2.062 484 HB THR 64 HB THR 64 -14.807 -1.639 -3.550 485 HG1 THR 64 HG1 THR 64 -12.832 -1.770 -4.781 486 HG21 THR 64 3HG2 THR 64 -13.865 0.946 -4.813 487 HG22 THR 64 1HG2 THR 64 -15.544 0.527 -4.472 488 HG23 THR 64 2HG2 THR 64 -14.626 -0.407 -5.653 489 H ARG 65 H ARG 65 -12.292 -0.067 -0.393 490 HA ARG 65 HA ARG 65 -11.663 -1.332 1.376 491 HB2 ARG 65 2HB ARG 65 -14.522 -2.202 1.130 492 HB3 ARG 65 1HB ARG 65 -13.458 -3.053 2.240 493 HG2 ARG 65 2HG ARG 65 -14.663 -1.361 3.441 494 HG3 ARG 65 1HG ARG 65 -12.961 -0.907 3.363 495 HD2 ARG 65 2HD ARG 65 -14.363 1.033 2.976 496 HD3 ARG 65 1HD ARG 65 -13.471 0.630 1.511 497 HE ARG 65 HE ARG 65 -15.725 -0.611 0.989 498 HH11 ARG 65 1HH1 ARG 65 -15.301 2.491 2.439 499 HH12 ARG 65 2HH1 ARG 65 -16.801 3.096 1.821 500 HH21 ARG 65 1HH2 ARG 65 -17.630 0.192 0.194 501 HH22 ARG 65 2HH2 ARG 65 -18.093 1.822 0.555 502 H GLN 66 H GLN 66 -11.074 -2.235 -1.341 503 HA GLN 66 HA GLN 66 -11.042 -5.120 -1.250 504 HB2 GLN 66 2HB GLN 66 -9.543 -3.170 -3.016 505 HB3 GLN 66 1HB GLN 66 -9.523 -4.915 -3.225 506 HG2 GLN 66 2HG GLN 66 -11.958 -3.154 -3.419 507 HG3 GLN 66 1HG GLN 66 -11.046 -3.804 -4.779 508 HE21 GLN 66 1HE2 GLN 66 -13.838 -4.180 -4.109 509 HE22 GLN 66 2HE2 GLN 66 -14.071 -5.881 -3.932 510 H ARG 67 H ARG 67 -9.562 -6.398 -0.273 511 HA ARG 67 HA ARG 67 -7.074 -5.206 0.738 512 HB2 ARG 67 2HB ARG 67 -8.363 -7.895 1.279 513 HB3 ARG 67 1HB ARG 67 -6.829 -7.376 1.965 514 HG2 ARG 67 2HG ARG 67 -7.968 -5.529 3.112 515 HG3 ARG 67 1HG ARG 67 -9.506 -6.059 2.426 516 HD2 ARG 67 2HD ARG 67 -9.211 -6.829 4.743 517 HD3 ARG 67 1HD ARG 67 -9.343 -8.172 3.607 518 HE ARG 67 HE ARG 67 -6.911 -8.422 3.788 519 HH11 ARG 67 1HH1 ARG 67 -8.547 -6.676 6.268 520 HH12 ARG 67 2HH1 ARG 67 -7.282 -6.919 7.423 521 HH21 ARG 67 1HH2 ARG 67 -5.293 -8.725 5.275 522 HH22 ARG 67 2HH2 ARG 67 -5.451 -8.052 6.864 523 H GLY 68 H GLY 68 -5.227 -5.443 -0.392 524 HA2 GLY 68 2HA GLY 68 -4.424 -7.899 -1.580 525 HA3 GLY 68 1HA GLY 68 -5.033 -6.813 -2.818 526 H ASP 69 H ASP 69 -2.641 -7.384 -3.382 527 HA ASP 69 HA ASP 69 -0.677 -5.753 -1.979 528 HB2 ASP 69 2HB ASP 69 -0.374 -7.553 -4.400 529 HB3 ASP 69 1HB ASP 69 0.948 -6.775 -3.533 530 H PHE 70 H PHE 70 -0.317 -3.694 -2.509 531 HA PHE 70 HA PHE 70 -0.875 -2.811 -5.276 532 HB2 PHE 70 2HB PHE 70 -1.352 -0.588 -4.401 533 HB3 PHE 70 1HB PHE 70 -2.356 -1.777 -3.580 534 HD1 PHE 70 HD1 PHE 70 -1.832 -2.430 -1.239 535 HD2 PHE 70 HD2 PHE 70 0.218 0.747 -3.207 536 HE1 PHE 70 HE1 PHE 70 -1.059 -1.581 0.936 537 HE2 PHE 70 HE2 PHE 70 0.994 1.593 -1.035 538 HZ PHE 70 HZ PHE 70 0.355 0.431 1.039 539 HA PRO 71 HA PRO 71 3.432 -1.757 -5.621 540 HB2 PRO 71 2HB PRO 71 3.322 0.033 -7.656 541 HB3 PRO 71 1HB PRO 71 3.070 -1.700 -7.899 542 HG2 PRO 71 2HG PRO 71 1.037 0.489 -7.641 543 HG3 PRO 71 1HG PRO 71 1.082 -0.864 -8.787 544 HD2 PRO 71 2HD PRO 71 -0.467 -0.878 -6.550 545 HD3 PRO 71 1HD PRO 71 0.221 -2.356 -7.252 546 H GLY 72 H GLY 72 4.230 -0.641 -3.909 547 HA2 GLY 72 2HA GLY 72 3.217 1.900 -3.056 548 HA3 GLY 72 1HA GLY 72 4.623 1.071 -2.413 549 H THR 73 H THR 73 4.260 1.977 -5.802 550 HA THR 73 HA THR 73 6.535 3.818 -5.523 551 HB THR 73 HB THR 73 6.746 3.635 -7.993 552 HG1 THR 73 HG1 THR 73 5.467 2.076 -9.075 553 HG21 THR 73 3HG2 THR 73 6.685 0.964 -6.569 554 HG22 THR 73 1HG2 THR 73 8.024 2.112 -6.547 555 HG23 THR 73 2HG2 THR 73 7.562 1.324 -8.057 556 H TYR 74 H TYR 74 3.161 3.690 -6.374 557 HA TYR 74 HA TYR 74 3.220 6.484 -7.322 558 HB2 TYR 74 2HB TYR 74 1.019 4.419 -7.583 559 HB3 TYR 74 1HB TYR 74 1.011 6.032 -8.287 560 HD1 TYR 74 HD2 TYR 74 3.079 6.550 -9.866 561 HD2 TYR 74 HD1 TYR 74 1.690 2.637 -8.915 562 HE1 TYR 74 HE2 TYR 74 4.166 5.678 -11.891 563 HE2 TYR 74 HE1 TYR 74 2.771 1.758 -10.938 564 HH TYR 74 HH TYR 74 3.522 2.586 -13.129 565 H VAL 75 H VAL 75 3.118 5.302 -4.441 566 HA VAL 75 HA VAL 75 0.774 6.859 -3.519 567 HB VAL 75 HB VAL 75 0.622 5.416 -1.567 568 HG11 VAL 75 1HG1 VAL 75 -0.095 3.322 -2.646 569 HG12 VAL 75 2HG1 VAL 75 0.720 3.815 -4.130 570 HG13 VAL 75 3HG1 VAL 75 -0.652 4.743 -3.527 571 HG21 VAL 75 3HG2 VAL 75 2.943 3.883 -2.757 572 HG22 VAL 75 1HG2 VAL 75 1.999 3.387 -1.350 573 HG23 VAL 75 2HG2 VAL 75 2.975 4.855 -1.285 574 H GLU 76 H GLU 76 1.011 7.913 -1.407 575 HA GLU 76 HA GLU 76 3.807 8.610 -0.780 576 HB2 GLU 76 2HB GLU 76 2.988 10.684 0.181 577 HB3 GLU 76 1HB GLU 76 2.395 10.518 -1.465 578 HG2 GLU 76 2HG GLU 76 0.206 9.931 -0.695 579 HG3 GLU 76 1HG GLU 76 0.767 9.823 0.973 580 H PHE 77 H PHE 77 4.603 8.290 1.248 581 HA PHE 77 HA PHE 77 3.126 6.620 3.068 582 HB2 PHE 77 2HB PHE 77 5.504 6.259 2.777 583 HB3 PHE 77 1HB PHE 77 5.858 7.912 3.263 584 HD1 PHE 77 HD2 PHE 77 3.882 5.056 4.703 585 HD2 PHE 77 HD1 PHE 77 6.839 8.064 5.324 586 HE1 PHE 77 HE2 PHE 77 4.167 4.298 7.023 587 HE2 PHE 77 HE1 PHE 77 7.121 7.309 7.648 588 HZ PHE 77 HZ PHE 77 5.786 5.423 8.499 589 H LEU 78 H LEU 78 1.657 7.397 4.457 590 HA LEU 78 HA LEU 78 1.742 10.164 5.356 591 HB2 LEU 78 2HB LEU 78 -0.185 7.944 6.074 592 HB3 LEU 78 1HB LEU 78 -0.383 9.642 6.467 593 HG LEU 78 HG LEU 78 -0.399 8.452 3.682 594 HD11 LEU 78 1HD1 LEU 78 -2.623 9.621 5.361 595 HD12 LEU 78 2HD1 LEU 78 -2.420 7.926 4.910 596 HD13 LEU 78 3HD1 LEU 78 -2.761 9.131 3.671 597 HD21 LEU 78 3HD2 LEU 78 -1.046 10.717 2.952 598 HD22 LEU 78 1HD2 LEU 78 0.579 10.670 3.638 599 HD23 LEU 78 2HD2 LEU 78 -0.763 11.310 4.589 600 H GLY 79 H GLY 79 1.882 6.935 6.829 601 HA2 GLY 79 2HA GLY 79 3.718 6.787 8.584 602 HA3 GLY 79 1HA GLY 79 2.901 8.155 9.325 603 HA PRO 80 HA PRO 80 1.107 4.299 11.264 604 HB2 PRO 80 2HB PRO 80 1.202 5.308 13.815 605 HB3 PRO 80 1HB PRO 80 2.506 4.363 13.084 606 HG2 PRO 80 2HG PRO 80 2.253 7.335 13.373 607 HG3 PRO 80 1HG PRO 80 3.676 6.302 13.614 608 HD2 PRO 80 2HD PRO 80 3.311 7.754 11.360 609 HD3 PRO 80 1HD PRO 80 4.124 6.175 11.346 610 H LEU 81 H LEU 81 -0.909 4.251 12.626 611 HA LEU 81 HA LEU 81 -2.737 6.203 11.503 612 HB2 LEU 81 2HB LEU 81 -3.215 3.676 13.087 613 HB3 LEU 81 1HB LEU 81 -4.501 4.723 12.515 614 HG LEU 81 HG LEU 81 -3.662 4.330 10.167 615 HD11 LEU 81 1HD1 LEU 81 -2.273 2.358 9.759 616 HD12 LEU 81 2HD1 LEU 81 -2.023 2.171 11.496 617 HD13 LEU 81 3HD1 LEU 81 -1.404 3.597 10.663 618 HD21 LEU 81 3HD2 LEU 81 -4.701 2.132 9.961 619 HD22 LEU 81 1HD2 LEU 81 -5.626 3.188 11.029 620 HD23 LEU 81 2HD2 LEU 81 -4.612 1.915 11.711 621 H GLU 82 H GLU 82 -4.405 7.231 12.761 622 HA GLU 82 HA GLU 82 -3.397 8.267 15.288 623 HB2 GLU 82 2HB GLU 82 -5.378 9.837 15.055 624 HB3 GLU 82 1HB GLU 82 -4.159 9.943 13.793 625 HG2 GLU 82 2HG GLU 82 -5.580 8.568 12.326 626 HG3 GLU 82 1HG GLU 82 -6.809 8.513 13.587 Start of MODEL 8 1 H1 MET 1 1H MET 1 0.033 4.432 23.837 2 H2 MET 1 2H MET 1 1.062 4.962 22.601 3 H3 MET 1 3H MET 1 1.089 5.727 24.108 4 HA MET 1 HA MET 1 2.999 4.313 23.901 5 HB2 MET 1 2HB MET 1 2.790 3.110 25.961 6 HB3 MET 1 1HB MET 1 1.807 4.560 26.109 7 HG2 MET 1 2HG MET 1 0.809 1.771 25.552 8 HG3 MET 1 1HG MET 1 0.651 2.663 27.064 9 HE1 MET 1 3HE MET 1 -1.104 4.508 27.527 10 HE2 MET 1 1HE MET 1 -1.961 5.387 26.261 11 HE3 MET 1 2HE MET 1 -0.207 5.515 26.390 12 H ALA 2 H ALA 2 0.099 2.918 22.708 13 HA ALA 2 HA ALA 2 0.594 0.184 22.766 14 HB1 ALA 2 3HB ALA 2 -1.552 1.163 22.121 15 HB2 ALA 2 1HB ALA 2 -0.987 0.005 20.916 16 HB3 ALA 2 2HB ALA 2 -0.842 1.736 20.612 17 H GLY 3 H GLY 3 1.475 2.508 20.205 18 HA2 GLY 3 2HA GLY 3 3.742 2.334 19.289 19 HA3 GLY 3 1HA GLY 3 3.564 0.588 19.344 20 HA PRO 4 HA PRO 4 2.317 2.408 15.107 21 HB2 PRO 4 2HB PRO 4 4.843 1.249 14.117 22 HB3 PRO 4 1HB PRO 4 4.178 2.866 13.869 23 HG2 PRO 4 2HG PRO 4 6.318 2.449 15.448 24 HG3 PRO 4 1HG PRO 4 5.111 3.696 15.818 25 HD2 PRO 4 2HD PRO 4 5.417 0.946 16.998 26 HD3 PRO 4 1HD PRO 4 5.081 2.490 17.815 27 H GLU 5 H GLU 5 0.848 0.534 15.714 28 HA GLU 5 HA GLU 5 1.504 -2.119 14.969 29 HB2 GLU 5 2HB GLU 5 -1.201 -0.778 15.204 30 HB3 GLU 5 1HB GLU 5 -0.952 -2.513 15.057 31 HG2 GLU 5 2HG GLU 5 0.148 -0.834 17.308 32 HG3 GLU 5 1HG GLU 5 -1.382 -1.706 17.381 33 H GLY 6 H GLY 6 0.131 0.572 13.157 34 HA2 GLY 6 2HA GLY 6 0.630 -0.882 10.664 35 HA3 GLY 6 1HA GLY 6 -1.013 -0.326 10.946 36 H PHE 7 H PHE 7 0.326 0.518 8.723 37 HA PHE 7 HA PHE 7 0.859 3.370 9.290 38 HB2 PHE 7 2HB PHE 7 2.309 1.702 7.209 39 HB3 PHE 7 1HB PHE 7 2.614 3.391 7.604 40 HD1 PHE 7 HD1 PHE 7 3.651 3.983 9.784 41 HD2 PHE 7 HD2 PHE 7 3.253 -0.063 8.506 42 HE1 PHE 7 HE1 PHE 7 5.319 3.293 11.455 43 HE2 PHE 7 HE2 PHE 7 4.915 -0.757 10.179 44 HZ PHE 7 HZ PHE 7 5.951 0.920 11.657 45 H GLN 8 H GLN 8 0.124 4.857 7.692 46 HA GLN 8 HA GLN 8 -1.790 3.724 5.754 47 HB2 GLN 8 2HB GLN 8 -1.600 6.465 7.003 48 HB3 GLN 8 1HB GLN 8 -2.645 6.125 5.630 49 HG2 GLN 8 2HG GLN 8 -3.735 4.342 7.028 50 HG3 GLN 8 1HG GLN 8 -2.807 4.953 8.396 51 HE21 GLN 8 1HE2 GLN 8 -5.702 4.868 7.951 52 HE22 GLN 8 2HE2 GLN 8 -6.252 6.496 8.113 53 H TYR 9 H TYR 9 -1.765 4.238 3.605 54 HA TYR 9 HA TYR 9 0.441 5.911 2.580 55 HB2 TYR 9 2HB TYR 9 -0.441 3.231 1.468 56 HB3 TYR 9 1HB TYR 9 0.780 4.278 0.756 57 HD1 TYR 9 HD2 TYR 9 2.985 4.532 1.828 58 HD2 TYR 9 HD1 TYR 9 0.057 1.872 3.413 59 HE1 TYR 9 HE2 TYR 9 4.719 3.439 3.184 60 HE2 TYR 9 HE1 TYR 9 1.786 0.773 4.771 61 HH TYR 9 HH TYR 9 4.222 0.476 4.762 62 H ARG 10 H ARG 10 -0.267 7.452 1.157 63 HA ARG 10 HA ARG 10 -3.061 7.275 0.249 64 HB2 ARG 10 2HB ARG 10 -2.393 9.295 1.499 65 HB3 ARG 10 1HB ARG 10 -1.192 9.659 0.267 66 HG2 ARG 10 2HG ARG 10 -2.975 9.919 -1.398 67 HG3 ARG 10 1HG ARG 10 -4.180 9.555 -0.162 68 HD2 ARG 10 2HD ARG 10 -4.041 11.951 -0.492 69 HD3 ARG 10 1HD ARG 10 -3.435 11.540 1.112 70 HE ARG 10 HE ARG 10 -1.689 12.157 -1.191 71 HH11 ARG 10 1HH1 ARG 10 -2.449 12.382 2.155 72 HH12 ARG 10 2HH1 ARG 10 -1.011 13.257 2.546 73 HH21 ARG 10 1HH2 ARG 10 0.167 13.290 -0.683 74 HH22 ARG 10 2HH2 ARG 10 0.472 13.725 0.961 75 H ALA 11 H ALA 11 -3.427 6.563 -1.760 76 HA ALA 11 HA ALA 11 -1.413 6.377 -3.767 77 HB1 ALA 11 3HB ALA 11 -3.261 4.781 -3.635 78 HB2 ALA 11 1HB ALA 11 -3.214 5.564 -5.215 79 HB3 ALA 11 2HB ALA 11 -4.408 6.064 -4.018 80 H LEU 12 H LEU 12 -0.637 8.045 -4.900 81 HA LEU 12 HA LEU 12 -2.026 10.556 -5.076 82 HB2 LEU 12 2HB LEU 12 0.553 9.657 -6.368 83 HB3 LEU 12 1HB LEU 12 -0.034 11.308 -6.323 84 HG LEU 12 HG LEU 12 0.803 9.651 -3.935 85 HD11 LEU 12 1HD1 LEU 12 2.679 10.413 -5.306 86 HD12 LEU 12 2HD1 LEU 12 2.637 11.250 -3.754 87 HD13 LEU 12 3HD1 LEU 12 2.080 12.071 -5.213 88 HD21 LEU 12 3HD2 LEU 12 -1.040 11.135 -3.344 89 HD22 LEU 12 1HD2 LEU 12 -0.189 12.504 -4.060 90 HD23 LEU 12 2HD2 LEU 12 0.468 11.703 -2.632 91 H TYR 13 H TYR 13 -1.303 7.943 -7.354 92 HA TYR 13 HA TYR 13 -2.951 9.324 -9.380 93 HB2 TYR 13 2HB TYR 13 -0.417 7.726 -9.849 94 HB3 TYR 13 1HB TYR 13 -1.461 8.349 -11.123 95 HD1 TYR 13 HD1 TYR 13 -1.714 10.843 -11.382 96 HD2 TYR 13 HD2 TYR 13 1.215 9.121 -8.811 97 HE1 TYR 13 HE1 TYR 13 -0.497 12.973 -11.345 98 HE2 TYR 13 HE2 TYR 13 2.439 11.255 -8.776 99 HH TYR 13 HH TYR 13 1.086 14.155 -9.841 100 HA PRO 14 HA PRO 14 -5.338 5.565 -9.564 101 HB2 PRO 14 2HB PRO 14 -6.275 5.740 -12.137 102 HB3 PRO 14 1HB PRO 14 -6.929 6.672 -10.785 103 HG2 PRO 14 2HG PRO 14 -4.977 7.511 -12.899 104 HG3 PRO 14 1HG PRO 14 -6.335 8.417 -12.206 105 HD2 PRO 14 2HD PRO 14 -3.766 8.846 -11.455 106 HD3 PRO 14 1HD PRO 14 -5.131 9.039 -10.334 107 H PHE 15 H PHE 15 -4.761 3.500 -9.904 108 HA PHE 15 HA PHE 15 -3.041 2.845 -12.198 109 HB2 PHE 15 2HB PHE 15 -1.558 3.054 -10.287 110 HB3 PHE 15 1HB PHE 15 -2.588 2.001 -9.325 111 HD1 PHE 15 HD1 PHE 15 -0.426 2.071 -12.343 112 HD2 PHE 15 HD2 PHE 15 -2.251 -0.322 -9.326 113 HE1 PHE 15 HE1 PHE 15 0.864 0.122 -13.108 114 HE2 PHE 15 HE2 PHE 15 -0.965 -2.273 -10.091 115 HZ PHE 15 HZ PHE 15 0.594 -2.051 -11.987 116 H ARG 16 H ARG 16 -4.103 1.408 -13.405 117 HA ARG 16 HA ARG 16 -5.971 -0.486 -12.302 118 HB2 ARG 16 2HB ARG 16 -6.174 -1.347 -14.565 119 HB3 ARG 16 1HB ARG 16 -6.227 0.408 -14.598 120 HG2 ARG 16 2HG ARG 16 -3.933 0.502 -15.381 121 HG3 ARG 16 1HG ARG 16 -3.793 -1.253 -15.248 122 HD2 ARG 16 2HD ARG 16 -5.584 0.296 -17.123 123 HD3 ARG 16 1HD ARG 16 -4.170 -0.665 -17.555 124 HE ARG 16 HE ARG 16 -6.693 -1.781 -16.509 125 HH11 ARG 16 1HH1 ARG 16 -3.865 -2.067 -18.461 126 HH12 ARG 16 2HH1 ARG 16 -4.326 -3.620 -19.069 127 HH21 ARG 16 1HH2 ARG 16 -7.254 -3.760 -17.290 128 HH22 ARG 16 2HH2 ARG 16 -6.204 -4.582 -18.392 129 H ARG 17 H ARG 17 -5.598 -2.569 -11.703 130 HA ARG 17 HA ARG 17 -2.886 -3.233 -11.074 131 HB2 ARG 17 2HB ARG 17 -5.351 -3.876 -10.017 132 HB3 ARG 17 1HB ARG 17 -4.859 -5.393 -10.753 133 HG2 ARG 17 2HG ARG 17 -3.244 -3.817 -8.746 134 HG3 ARG 17 1HG ARG 17 -4.229 -5.232 -8.380 135 HD2 ARG 17 2HD ARG 17 -2.817 -6.575 -9.889 136 HD3 ARG 17 1HD ARG 17 -1.815 -5.155 -10.195 137 HE ARG 17 HE ARG 17 -1.948 -5.605 -7.426 138 HH11 ARG 17 1HH1 ARG 17 -0.572 -6.991 -10.265 139 HH12 ARG 17 2HH1 ARG 17 0.712 -7.757 -9.402 140 HH21 ARG 17 1HH2 ARG 17 -0.279 -6.581 -6.338 141 HH22 ARG 17 2HH2 ARG 17 0.874 -7.527 -7.210 142 H GLU 18 H GLU 18 -1.637 -4.981 -11.757 143 HA GLU 18 HA GLU 18 -1.466 -5.839 -14.337 144 HB2 GLU 18 2HB GLU 18 0.075 -6.283 -12.317 145 HB3 GLU 18 1HB GLU 18 -0.913 -7.703 -12.024 146 HG2 GLU 18 2HG GLU 18 0.937 -8.485 -13.215 147 HG3 GLU 18 1HG GLU 18 -0.353 -8.389 -14.415 148 H ARG 19 H ARG 19 -3.716 -6.939 -11.934 149 HA ARG 19 HA ARG 19 -5.266 -8.378 -13.886 150 HB2 ARG 19 2HB ARG 19 -3.605 -10.061 -13.121 151 HB3 ARG 19 1HB ARG 19 -4.162 -9.840 -11.469 152 HG2 ARG 19 2HG ARG 19 -6.279 -10.800 -11.960 153 HG3 ARG 19 1HG ARG 19 -5.968 -10.752 -13.698 154 HD2 ARG 19 2HD ARG 19 -4.449 -12.424 -11.689 155 HD3 ARG 19 1HD ARG 19 -5.702 -13.021 -12.777 156 HE ARG 19 HE ARG 19 -3.577 -11.704 -14.171 157 HH11 ARG 19 1HH1 ARG 19 -4.483 -14.682 -12.703 158 HH12 ARG 19 2HH1 ARG 19 -3.461 -15.623 -13.731 159 HH21 ARG 19 1HH2 ARG 19 -2.274 -12.916 -15.485 160 HH22 ARG 19 2HH2 ARG 19 -2.226 -14.636 -15.299 161 HA PRO 20 HA PRO 20 -8.431 -6.405 -11.404 162 HB2 PRO 20 2HB PRO 20 -10.156 -8.599 -12.467 163 HB3 PRO 20 1HB PRO 20 -10.397 -6.848 -12.520 164 HG2 PRO 20 2HG PRO 20 -9.649 -8.167 -14.701 165 HG3 PRO 20 1HG PRO 20 -8.961 -6.574 -14.332 166 HD2 PRO 20 2HD PRO 20 -7.746 -9.295 -13.984 167 HD3 PRO 20 1HD PRO 20 -6.991 -7.788 -14.545 168 H GLU 21 H GLU 21 -7.392 -9.621 -10.966 169 HA GLU 21 HA GLU 21 -9.103 -10.443 -8.859 170 HB2 GLU 21 2HB GLU 21 -7.761 -12.017 -10.174 171 HB3 GLU 21 1HB GLU 21 -6.281 -11.300 -9.554 172 HG2 GLU 21 2HG GLU 21 -6.805 -12.078 -7.316 173 HG3 GLU 21 1HG GLU 21 -8.348 -12.724 -7.876 174 H ASP 22 H ASP 22 -6.222 -8.454 -8.958 175 HA ASP 22 HA ASP 22 -5.926 -8.523 -6.041 176 HB2 ASP 22 2HB ASP 22 -4.177 -7.249 -8.159 177 HB3 ASP 22 1HB ASP 22 -3.795 -7.369 -6.443 178 H LEU 23 H LEU 23 -4.738 -5.971 -5.698 179 HA LEU 23 HA LEU 23 -7.209 -4.384 -5.573 180 HB2 LEU 23 2HB LEU 23 -6.193 -4.894 -3.441 181 HB3 LEU 23 1HB LEU 23 -4.645 -4.270 -3.978 182 HG LEU 23 HG LEU 23 -5.533 -1.997 -4.014 183 HD11 LEU 23 1HD1 LEU 23 -7.777 -1.504 -3.162 184 HD12 LEU 23 2HD1 LEU 23 -8.124 -3.232 -3.087 185 HD13 LEU 23 3HD1 LEU 23 -7.830 -2.457 -4.644 186 HD21 LEU 23 3HD2 LEU 23 -6.121 -3.452 -1.434 187 HD22 LEU 23 1HD2 LEU 23 -5.903 -1.710 -1.603 188 HD23 LEU 23 2HD2 LEU 23 -4.562 -2.801 -1.940 189 H GLU 24 H GLU 24 -7.441 -2.491 -6.598 190 HA GLU 24 HA GLU 24 -5.182 -1.452 -8.175 191 HB2 GLU 24 2HB GLU 24 -8.136 -0.844 -8.477 192 HB3 GLU 24 1HB GLU 24 -6.850 -0.392 -9.592 193 HG2 GLU 24 2HG GLU 24 -6.419 -2.792 -10.007 194 HG3 GLU 24 1HG GLU 24 -7.780 -3.192 -8.963 195 H LEU 25 H LEU 25 -5.229 1.012 -8.514 196 HA LEU 25 HA LEU 25 -5.580 2.271 -5.857 197 HB2 LEU 25 2HB LEU 25 -3.483 2.865 -7.954 198 HB3 LEU 25 1HB LEU 25 -3.650 3.701 -6.420 199 HG LEU 25 HG LEU 25 -2.955 0.775 -6.755 200 HD11 LEU 25 1HD1 LEU 25 -0.746 1.434 -5.895 201 HD12 LEU 25 2HD1 LEU 25 -1.242 3.128 -5.949 202 HD13 LEU 25 3HD1 LEU 25 -1.117 2.197 -7.442 203 HD21 LEU 25 3HD2 LEU 25 -3.091 2.467 -4.257 204 HD22 LEU 25 1HD2 LEU 25 -2.567 0.785 -4.350 205 HD23 LEU 25 2HD2 LEU 25 -4.240 1.207 -4.713 206 H LEU 26 H LEU 26 -6.465 4.287 -5.679 207 HA LEU 26 HA LEU 26 -7.306 5.683 -8.148 208 HB2 LEU 26 2HB LEU 26 -8.797 5.179 -5.589 209 HB3 LEU 26 1HB LEU 26 -9.139 6.636 -6.500 210 HG LEU 26 HG LEU 26 -10.763 4.903 -7.021 211 HD11 LEU 26 1HD1 LEU 26 -10.585 4.904 -9.447 212 HD12 LEU 26 2HD1 LEU 26 -8.894 5.389 -9.338 213 HD13 LEU 26 3HD1 LEU 26 -10.162 6.481 -8.782 214 HD21 LEU 26 3HD2 LEU 26 -10.183 2.826 -8.090 215 HD22 LEU 26 1HD2 LEU 26 -9.323 2.944 -6.554 216 HD23 LEU 26 2HD2 LEU 26 -8.471 3.247 -8.069 217 HA PRO 27 HA PRO 27 -4.995 9.158 -6.679 218 HB2 PRO 27 2HB PRO 27 -6.325 11.255 -7.765 219 HB3 PRO 27 1HB PRO 27 -5.380 10.115 -8.732 220 HG2 PRO 27 2HG PRO 27 -8.345 10.206 -8.276 221 HG3 PRO 27 1HG PRO 27 -7.454 9.935 -9.786 222 HD2 PRO 27 2HD PRO 27 -8.541 7.909 -8.337 223 HD3 PRO 27 1HD PRO 27 -7.069 7.713 -9.309 224 H GLY 28 H GLY 28 -4.868 10.119 -4.737 225 HA2 GLY 28 2HA GLY 28 -5.457 11.338 -2.863 226 HA3 GLY 28 1HA GLY 28 -6.998 11.699 -3.623 227 H ASP 29 H ASP 29 -6.023 8.386 -3.312 228 HA ASP 29 HA ASP 29 -8.093 7.982 -1.249 229 HB2 ASP 29 2HB ASP 29 -8.431 6.858 -3.435 230 HB3 ASP 29 1HB ASP 29 -6.910 6.000 -3.215 231 H VAL 30 H VAL 30 -7.673 6.264 0.371 232 HA VAL 30 HA VAL 30 -4.817 6.225 1.142 233 HB VAL 30 HB VAL 30 -7.211 6.416 2.989 234 HG11 VAL 30 1HG1 VAL 30 -5.409 5.134 4.007 235 HG12 VAL 30 2HG1 VAL 30 -5.544 6.713 4.780 236 HG13 VAL 30 3HG1 VAL 30 -4.252 6.409 3.616 237 HG21 VAL 30 3HG2 VAL 30 -5.113 8.476 2.275 238 HG22 VAL 30 1HG2 VAL 30 -6.355 8.670 3.512 239 HG23 VAL 30 2HG2 VAL 30 -6.817 8.515 1.817 240 H LEU 31 H LEU 31 -3.932 4.312 1.625 241 HA LEU 31 HA LEU 31 -5.691 1.988 2.093 242 HB2 LEU 31 2HB LEU 31 -2.998 2.004 0.703 243 HB3 LEU 31 1HB LEU 31 -3.941 0.574 1.072 244 HG LEU 31 HG LEU 31 -5.775 1.627 -0.411 245 HD11 LEU 31 1HD1 LEU 31 -4.864 3.868 -0.587 246 HD12 LEU 31 2HD1 LEU 31 -4.954 3.117 -2.177 247 HD13 LEU 31 3HD1 LEU 31 -3.403 3.240 -1.348 248 HD21 LEU 31 3HD2 LEU 31 -3.200 0.665 -1.657 249 HD22 LEU 31 1HD2 LEU 31 -4.786 0.678 -2.430 250 HD23 LEU 31 2HD2 LEU 31 -4.496 -0.354 -1.030 251 H VAL 32 H VAL 32 -5.184 0.645 3.800 252 HA VAL 32 HA VAL 32 -3.055 1.608 5.609 253 HB VAL 32 HB VAL 32 -5.486 -0.068 6.282 254 HG11 VAL 32 1HG1 VAL 32 -3.640 -0.497 7.808 255 HG12 VAL 32 2HG1 VAL 32 -4.907 0.418 8.626 256 HG13 VAL 32 3HG1 VAL 32 -3.438 1.233 8.085 257 HG21 VAL 32 3HG2 VAL 32 -6.131 2.192 5.618 258 HG22 VAL 32 1HG2 VAL 32 -4.975 2.874 6.763 259 HG23 VAL 32 2HG2 VAL 32 -6.366 1.961 7.351 260 H VAL 33 H VAL 33 -1.301 0.388 5.915 261 HA VAL 33 HA VAL 33 -1.478 -2.541 5.529 262 HB VAL 33 HB VAL 33 0.910 -0.797 4.866 263 HG11 VAL 33 1HG1 VAL 33 0.492 -3.769 4.508 264 HG12 VAL 33 2HG1 VAL 33 1.580 -3.000 5.665 265 HG13 VAL 33 3HG1 VAL 33 1.888 -2.852 3.934 266 HG21 VAL 33 3HG2 VAL 33 -0.868 -0.498 3.228 267 HG22 VAL 33 1HG2 VAL 33 -1.003 -2.245 3.027 268 HG23 VAL 33 2HG2 VAL 33 0.468 -1.410 2.523 269 H SER 34 H SER 34 -0.916 -3.701 7.285 270 HA SER 34 HA SER 34 0.198 -2.255 9.587 271 HB2 SER 34 2HB SER 34 -1.186 -4.940 9.397 272 HB3 SER 34 1HB SER 34 -0.535 -4.272 10.891 273 HG SER 34 HG SER 34 -2.826 -3.620 9.518 274 H ARG 35 H ARG 35 1.803 -3.275 10.995 275 HA ARG 35 HA ARG 35 4.153 -4.049 9.769 276 HB2 ARG 35 2HB ARG 35 3.125 -4.407 12.563 277 HB3 ARG 35 1HB ARG 35 4.641 -5.170 12.108 278 HG2 ARG 35 2HG ARG 35 5.535 -2.955 11.467 279 HG3 ARG 35 1HG ARG 35 4.026 -2.216 12.013 280 HD2 ARG 35 2HD ARG 35 4.416 -2.887 14.269 281 HD3 ARG 35 1HD ARG 35 5.752 -3.934 13.798 282 HE ARG 35 HE ARG 35 6.668 -1.548 13.029 283 HH11 ARG 35 1HH1 ARG 35 5.154 -2.533 15.969 284 HH12 ARG 35 2HH1 ARG 35 6.051 -1.416 16.932 285 HH21 ARG 35 1HH2 ARG 35 7.822 -0.134 14.265 286 HH22 ARG 35 2HH2 ARG 35 7.553 -0.064 15.971 287 H ALA 36 H ALA 36 1.575 -6.152 10.976 288 HA ALA 36 HA ALA 36 2.731 -8.645 10.771 289 HB1 ALA 36 3HB ALA 36 -0.103 -7.950 9.988 290 HB2 ALA 36 1HB ALA 36 0.465 -8.223 11.636 291 HB3 ALA 36 2HB ALA 36 0.494 -9.540 10.464 292 H ALA 37 H ALA 37 1.452 -6.658 8.125 293 HA ALA 37 HA ALA 37 1.816 -8.701 6.127 294 HB1 ALA 37 3HB ALA 37 1.244 -6.954 4.524 295 HB2 ALA 37 1HB ALA 37 1.365 -5.734 5.795 296 HB3 ALA 37 2HB ALA 37 0.107 -6.969 5.873 297 H LEU 38 H LEU 38 3.536 -5.689 6.975 298 HA LEU 38 HA LEU 38 5.516 -5.808 4.997 299 HB2 LEU 38 2HB LEU 38 5.661 -4.608 7.769 300 HB3 LEU 38 1HB LEU 38 6.817 -4.298 6.487 301 HG LEU 38 HG LEU 38 3.882 -3.560 6.427 302 HD11 LEU 38 1HD1 LEU 38 5.205 -2.189 7.972 303 HD12 LEU 38 2HD1 LEU 38 4.659 -1.263 6.576 304 HD13 LEU 38 3HD1 LEU 38 6.332 -1.812 6.667 305 HD21 LEU 38 3HD2 LEU 38 6.077 -3.040 4.414 306 HD22 LEU 38 1HD2 LEU 38 4.450 -2.358 4.353 307 HD23 LEU 38 2HD2 LEU 38 4.683 -4.098 4.194 308 H GLN 39 H GLN 39 5.601 -7.086 8.332 309 HA GLN 39 HA GLN 39 8.232 -8.071 8.253 310 HB2 GLN 39 2HB GLN 39 5.864 -9.038 9.869 311 HB3 GLN 39 1HB GLN 39 7.523 -9.559 10.132 312 HG2 GLN 39 2HG GLN 39 8.148 -7.207 10.593 313 HG3 GLN 39 1HG GLN 39 6.452 -6.758 10.431 314 HE21 GLN 39 1HE2 GLN 39 7.531 -9.740 11.912 315 HE22 GLN 39 2HE2 GLN 39 7.062 -9.332 13.520 316 H ALA 40 H ALA 40 5.182 -9.542 7.231 317 HA ALA 40 HA ALA 40 6.191 -12.128 6.664 318 HB1 ALA 40 3HB ALA 40 3.793 -11.659 6.860 319 HB2 ALA 40 1HB ALA 40 4.171 -12.421 5.314 320 HB3 ALA 40 2HB ALA 40 3.860 -10.687 5.390 321 H LEU 41 H LEU 41 6.106 -9.138 4.810 322 HA LEU 41 HA LEU 41 7.097 -10.275 2.359 323 HB2 LEU 41 2HB LEU 41 7.174 -7.401 3.290 324 HB3 LEU 41 1HB LEU 41 7.378 -7.964 1.642 325 HG LEU 41 HG LEU 41 4.832 -8.229 3.251 326 HD11 LEU 41 1HD1 LEU 41 5.350 -5.894 2.750 327 HD12 LEU 41 2HD1 LEU 41 3.959 -6.455 1.822 328 HD13 LEU 41 3HD1 LEU 41 5.533 -6.296 1.042 329 HD21 LEU 41 3HD2 LEU 41 5.083 -9.981 1.568 330 HD22 LEU 41 1HD2 LEU 41 5.391 -8.760 0.331 331 HD23 LEU 41 2HD2 LEU 41 3.813 -8.846 1.113 332 H GLY 42 H GLY 42 8.522 -9.025 5.273 333 HA2 GLY 42 2HA GLY 42 10.791 -9.541 5.876 334 HA3 GLY 42 1HA GLY 42 11.223 -9.491 4.175 335 H VAL 43 H VAL 43 9.150 -6.972 5.226 336 HA VAL 43 HA VAL 43 11.234 -4.995 4.845 337 HB VAL 43 HB VAL 43 8.320 -4.598 5.568 338 HG11 VAL 43 1HG1 VAL 43 10.357 -2.622 4.526 339 HG12 VAL 43 2HG1 VAL 43 9.694 -2.666 6.161 340 HG13 VAL 43 3HG1 VAL 43 8.643 -2.294 4.794 341 HG21 VAL 43 3HG2 VAL 43 9.675 -4.505 2.866 342 HG22 VAL 43 1HG2 VAL 43 7.995 -4.065 3.187 343 HG23 VAL 43 2HG2 VAL 43 8.531 -5.727 3.421 344 H ALA 44 H ALA 44 12.283 -3.903 6.398 345 HA ALA 44 HA ALA 44 11.604 -4.465 9.212 346 HB1 ALA 44 3HB ALA 44 14.284 -3.709 8.041 347 HB2 ALA 44 1HB ALA 44 13.771 -5.347 8.451 348 HB3 ALA 44 2HB ALA 44 13.957 -4.137 9.720 349 H GLU 45 H GLU 45 11.775 -2.800 10.776 350 HA GLU 45 HA GLU 45 10.721 -0.337 10.384 351 HB2 GLU 45 2HB GLU 45 12.936 -1.063 12.320 352 HB3 GLU 45 1HB GLU 45 12.010 0.427 12.409 353 HG2 GLU 45 2HG GLU 45 10.796 -2.324 12.587 354 HG3 GLU 45 1HG GLU 45 11.289 -1.369 13.982 355 H GLY 46 H GLY 46 11.229 1.237 8.988 356 HA2 GLY 46 2HA GLY 46 12.903 3.047 8.562 357 HA3 GLY 46 1HA GLY 46 14.092 1.762 8.401 358 H GLY 47 H GLY 47 11.798 0.180 7.023 359 HA2 GLY 47 2HA GLY 47 12.404 1.152 4.331 360 HA3 GLY 47 1HA GLY 47 11.649 -0.379 4.742 361 H GLU 48 H GLU 48 9.629 0.848 6.468 362 HA GLU 48 HA GLU 48 7.575 1.130 4.577 363 HB2 GLU 48 2HB GLU 48 6.113 1.634 6.423 364 HB3 GLU 48 1HB GLU 48 7.248 0.393 6.929 365 HG2 GLU 48 2HG GLU 48 7.403 3.329 7.623 366 HG3 GLU 48 1HG GLU 48 6.868 2.034 8.694 367 H ARG 49 H ARG 49 9.539 3.573 6.169 368 HA ARG 49 HA ARG 49 7.965 5.826 5.462 369 HB2 ARG 49 2HB ARG 49 9.932 7.157 6.066 370 HB3 ARG 49 1HB ARG 49 9.588 5.919 7.265 371 HG2 ARG 49 2HG ARG 49 11.363 4.531 5.924 372 HG3 ARG 49 1HG ARG 49 11.872 6.122 5.350 373 HD2 ARG 49 2HD ARG 49 13.158 5.486 7.320 374 HD3 ARG 49 1HD ARG 49 12.123 6.870 7.687 375 HE ARG 49 HE ARG 49 10.847 4.410 8.321 376 HH11 ARG 49 1HH1 ARG 49 13.204 6.626 9.515 377 HH12 ARG 49 2HH1 ARG 49 12.933 6.164 11.157 378 HH21 ARG 49 1HH2 ARG 49 10.528 3.839 10.428 379 HH22 ARG 49 2HH2 ARG 49 11.455 4.616 11.663 380 H CYS 50 H CYS 50 9.735 3.780 3.511 381 HA CYS 50 HA CYS 50 9.349 5.635 1.278 382 HB2 CYS 50 2HB CYS 50 11.912 4.110 1.789 383 HB3 CYS 50 1HB CYS 50 11.498 4.817 0.231 384 HG CYS 50 HG CYS 50 11.223 7.080 2.628 385 HA PRO 51 HA PRO 51 7.250 1.533 0.737 386 HB2 PRO 51 2HB PRO 51 5.426 2.573 -1.083 387 HB3 PRO 51 1HB PRO 51 5.186 2.484 0.664 388 HG2 PRO 51 2HG PRO 51 6.114 4.798 -1.002 389 HG3 PRO 51 1HG PRO 51 4.983 4.784 0.365 390 HD2 PRO 51 2HD PRO 51 7.509 5.604 0.682 391 HD3 PRO 51 1HD PRO 51 6.700 4.644 1.941 392 H GLN 52 H GLN 52 8.795 3.664 -1.507 393 HA GLN 52 HA GLN 52 8.613 2.223 -3.896 394 HB2 GLN 52 2HB GLN 52 10.664 3.392 -4.568 395 HB3 GLN 52 1HB GLN 52 9.539 4.488 -3.779 396 HG2 GLN 52 2HG GLN 52 10.838 4.314 -1.701 397 HG3 GLN 52 1HG GLN 52 11.974 3.234 -2.507 398 HE21 GLN 52 1HE2 GLN 52 13.371 4.090 -4.075 399 HE22 GLN 52 2HE2 GLN 52 13.671 5.786 -4.201 400 H SER 53 H SER 53 10.636 1.670 -1.063 401 HA SER 53 HA SER 53 12.248 -0.354 -2.375 402 HB2 SER 53 2HB SER 53 13.236 1.007 -0.581 403 HB3 SER 53 1HB SER 53 12.058 0.371 0.564 404 HG SER 53 HG SER 53 13.213 -1.723 -0.579 405 H VAL 54 H VAL 54 9.299 -0.245 -0.542 406 HA VAL 54 HA VAL 54 9.202 -3.021 0.148 407 HB VAL 54 HB VAL 54 6.905 -1.068 -0.166 408 HG11 VAL 54 1HG1 VAL 54 7.031 -3.742 1.240 409 HG12 VAL 54 2HG1 VAL 54 6.113 -3.362 -0.217 410 HG13 VAL 54 3HG1 VAL 54 5.674 -2.615 1.319 411 HG21 VAL 54 3HG2 VAL 54 8.506 -1.822 2.287 412 HG22 VAL 54 1HG2 VAL 54 7.045 -0.831 2.292 413 HG23 VAL 54 2HG2 VAL 54 8.499 -0.255 1.476 414 H GLY 55 H GLY 55 7.816 -1.087 -2.503 415 HA2 GLY 55 2HA GLY 55 7.441 -1.684 -4.703 416 HA3 GLY 55 1HA GLY 55 8.084 -3.280 -4.348 417 H TRP 56 H TRP 56 6.607 -4.769 -3.151 418 HA TRP 56 HA TRP 56 3.790 -4.310 -3.916 419 HB2 TRP 56 2HB TRP 56 3.660 -6.810 -4.273 420 HB3 TRP 56 1HB TRP 56 4.628 -5.928 -5.446 421 HD1 TRP 56 HD1 TRP 56 7.357 -6.205 -5.214 422 HE1 TRP 56 HE1 TRP 56 8.748 -8.185 -4.340 423 HE3 TRP 56 HE3 TRP 56 3.712 -8.693 -2.620 424 HZ2 TRP 56 HZ2 TRP 56 8.359 -10.489 -2.769 425 HZ3 TRP 56 HZ3 TRP 56 4.309 -10.781 -1.467 426 HH2 TRP 56 HH2 TRP 56 6.586 -11.661 -1.540 427 H MET 57 H MET 57 2.297 -4.544 -2.353 428 HA MET 57 HA MET 57 2.812 -6.191 -0.020 429 HB2 MET 57 2HB MET 57 2.391 -4.297 1.571 430 HB3 MET 57 1HB MET 57 3.922 -4.211 0.715 431 HG2 MET 57 2HG MET 57 2.937 -2.568 -0.838 432 HG3 MET 57 1HG MET 57 1.435 -2.629 0.089 433 HE1 MET 57 3HE MET 57 3.223 0.019 -0.566 434 HE2 MET 57 1HE MET 57 3.085 0.872 0.972 435 HE3 MET 57 2HE MET 57 1.671 0.083 0.272 436 HA PRO 58 HA PRO 58 -1.662 -6.296 -0.160 437 HB2 PRO 58 2HB PRO 58 -2.083 -8.058 1.809 438 HB3 PRO 58 1HB PRO 58 -1.284 -8.538 0.307 439 HG2 PRO 58 2HG PRO 58 -0.109 -8.027 2.998 440 HG3 PRO 58 1HG PRO 58 0.387 -9.191 1.756 441 HD2 PRO 58 2HD PRO 58 1.544 -6.657 2.259 442 HD3 PRO 58 1HD PRO 58 1.855 -7.704 0.861 443 H GLY 59 H GLY 59 -3.044 -4.774 0.572 444 HA2 GLY 59 2HA GLY 59 -3.180 -4.196 3.448 445 HA3 GLY 59 1HA GLY 59 -2.834 -2.854 2.370 446 H LEU 60 H LEU 60 -4.947 -2.464 3.851 447 HA LEU 60 HA LEU 60 -7.343 -3.302 2.372 448 HB2 LEU 60 2HB LEU 60 -7.426 -3.519 4.801 449 HB3 LEU 60 1HB LEU 60 -7.029 -1.823 4.992 450 HG LEU 60 HG LEU 60 -9.186 -1.224 3.897 451 HD11 LEU 60 1HD1 LEU 60 -10.909 -2.931 3.622 452 HD12 LEU 60 2HD1 LEU 60 -9.751 -4.185 4.062 453 HD13 LEU 60 3HD1 LEU 60 -9.519 -3.250 2.584 454 HD21 LEU 60 3HD2 LEU 60 -8.999 -1.285 6.330 455 HD22 LEU 60 1HD2 LEU 60 -9.439 -2.993 6.332 456 HD23 LEU 60 2HD2 LEU 60 -10.606 -1.780 5.803 457 H ASN 61 H ASN 61 -8.442 -1.962 1.067 458 HA ASN 61 HA ASN 61 -7.463 0.779 0.717 459 HB2 ASN 61 2HB ASN 61 -7.701 -0.721 -1.255 460 HB3 ASN 61 1HB ASN 61 -9.433 -0.811 -0.952 461 HD21 ASN 61 1HD2 ASN 61 -6.835 1.144 -2.119 462 HD22 ASN 61 2HD2 ASN 61 -7.810 2.422 -2.751 463 H GLU 62 H GLU 62 -8.768 2.614 0.941 464 HA GLU 62 HA GLU 62 -11.080 2.302 2.668 465 HB2 GLU 62 2HB GLU 62 -9.566 4.710 1.666 466 HB3 GLU 62 1HB GLU 62 -11.038 4.858 2.617 467 HG2 GLU 62 2HG GLU 62 -8.547 3.416 3.525 468 HG3 GLU 62 1HG GLU 62 -8.961 5.079 3.944 469 H ARG 63 H ARG 63 -10.521 3.924 -0.494 470 HA ARG 63 HA ARG 63 -13.216 4.735 -0.801 471 HB2 ARG 63 2HB ARG 63 -11.309 5.794 -1.949 472 HB3 ARG 63 1HB ARG 63 -11.099 4.353 -2.928 473 HG2 ARG 63 2HG ARG 63 -13.223 4.716 -4.014 474 HG3 ARG 63 1HG ARG 63 -13.580 6.070 -2.938 475 HD2 ARG 63 2HD ARG 63 -11.693 7.316 -3.848 476 HD3 ARG 63 1HD ARG 63 -11.272 5.952 -4.885 477 HE ARG 63 HE ARG 63 -13.710 6.405 -5.747 478 HH11 ARG 63 1HH1 ARG 63 -11.319 8.741 -4.900 479 HH12 ARG 63 2HH1 ARG 63 -11.867 9.883 -6.076 480 HH21 ARG 63 1HH2 ARG 63 -14.406 7.893 -7.236 481 HH22 ARG 63 2HH2 ARG 63 -13.579 9.409 -7.380 482 H THR 64 H THR 64 -11.462 2.105 -2.495 483 HA THR 64 HA THR 64 -13.918 1.047 -3.616 484 HB THR 64 HB THR 64 -12.542 -0.674 -4.644 485 HG1 THR 64 HG1 THR 64 -10.171 0.343 -3.542 486 HG21 THR 64 3HG2 THR 64 -11.150 2.013 -4.762 487 HG22 THR 64 1HG2 THR 64 -12.549 1.535 -5.724 488 HG23 THR 64 2HG2 THR 64 -11.003 0.717 -5.948 489 H ARG 65 H ARG 65 -12.180 0.610 -0.717 490 HA ARG 65 HA ARG 65 -12.354 -0.776 1.070 491 HB2 ARG 65 2HB ARG 65 -14.992 -1.523 -0.212 492 HB3 ARG 65 1HB ARG 65 -14.524 -1.902 1.442 493 HG2 ARG 65 2HG ARG 65 -14.437 0.459 1.996 494 HG3 ARG 65 1HG ARG 65 -14.805 0.888 0.323 495 HD2 ARG 65 2HD ARG 65 -16.792 1.051 1.722 496 HD3 ARG 65 1HD ARG 65 -16.974 -0.219 0.512 497 HE ARG 65 HE ARG 65 -15.987 -1.366 2.870 498 HH11 ARG 65 1HH1 ARG 65 -18.879 0.117 1.705 499 HH12 ARG 65 2HH1 ARG 65 -19.888 -0.763 2.800 500 HH21 ARG 65 1HH2 ARG 65 -17.283 -2.481 4.244 501 HH22 ARG 65 2HH2 ARG 65 -18.994 -2.219 4.226 502 H GLN 66 H GLN 66 -11.302 -1.823 -1.627 503 HA GLN 66 HA GLN 66 -11.791 -4.688 -1.442 504 HB2 GLN 66 2HB GLN 66 -10.004 -3.091 -3.288 505 HB3 GLN 66 1HB GLN 66 -10.286 -4.823 -3.414 506 HG2 GLN 66 2HG GLN 66 -12.625 -4.444 -3.907 507 HG3 GLN 66 1HG GLN 66 -12.425 -2.709 -3.655 508 HE21 GLN 66 1HE2 GLN 66 -13.320 -4.181 -6.032 509 HE22 GLN 66 2HE2 GLN 66 -12.255 -3.704 -7.303 510 H ARG 67 H ARG 67 -9.941 -6.213 -1.486 511 HA ARG 67 HA ARG 67 -7.610 -5.310 0.103 512 HB2 ARG 67 2HB ARG 67 -9.118 -7.921 0.415 513 HB3 ARG 67 1HB ARG 67 -7.651 -7.483 1.278 514 HG2 ARG 67 2HG ARG 67 -8.799 -5.744 2.473 515 HG3 ARG 67 1HG ARG 67 -10.254 -5.977 1.499 516 HD2 ARG 67 2HD ARG 67 -9.032 -8.004 3.386 517 HD3 ARG 67 1HD ARG 67 -10.481 -7.045 3.691 518 HE ARG 67 HE ARG 67 -11.473 -8.231 1.738 519 HH11 ARG 67 1HH1 ARG 67 -8.909 -9.705 3.519 520 HH12 ARG 67 2HH1 ARG 67 -9.334 -11.298 2.996 521 HH21 ARG 67 1HH2 ARG 67 -12.005 -10.274 1.100 522 HH22 ARG 67 2HH2 ARG 67 -11.077 -11.620 1.668 523 H GLY 68 H GLY 68 -5.662 -5.903 -0.758 524 HA2 GLY 68 2HA GLY 68 -5.056 -8.347 -1.945 525 HA3 GLY 68 1HA GLY 68 -5.536 -7.281 -3.253 526 H ASP 69 H ASP 69 -3.267 -7.904 -3.867 527 HA ASP 69 HA ASP 69 -1.142 -6.499 -2.456 528 HB2 ASP 69 2HB ASP 69 -0.876 -8.816 -3.401 529 HB3 ASP 69 1HB ASP 69 -1.007 -8.123 -5.013 530 H PHE 70 H PHE 70 -0.530 -4.469 -2.969 531 HA PHE 70 HA PHE 70 -1.014 -3.489 -5.713 532 HB2 PHE 70 2HB PHE 70 -1.703 -1.314 -4.853 533 HB3 PHE 70 1HB PHE 70 -2.741 -2.572 -4.195 534 HD1 PHE 70 HD1 PHE 70 -2.416 -3.316 -1.824 535 HD2 PHE 70 HD2 PHE 70 -0.424 0.088 -3.438 536 HE1 PHE 70 HE1 PHE 70 -1.949 -2.507 0.451 537 HE2 PHE 70 HE2 PHE 70 0.043 0.899 -1.165 538 HZ PHE 70 HZ PHE 70 -0.718 -0.399 0.783 539 HA PRO 71 HA PRO 71 3.213 -2.112 -5.505 540 HB2 PRO 71 2HB PRO 71 3.268 -0.273 -7.470 541 HB3 PRO 71 1HB PRO 71 3.047 -1.994 -7.809 542 HG2 PRO 71 2HG PRO 71 0.990 0.182 -7.652 543 HG3 PRO 71 1HG PRO 71 1.153 -1.117 -8.851 544 HD2 PRO 71 2HD PRO 71 -0.591 -1.220 -6.742 545 HD3 PRO 71 1HD PRO 71 0.116 -2.663 -7.495 546 H GLY 72 H GLY 72 4.057 -0.919 -3.908 547 HA2 GLY 72 2HA GLY 72 2.743 1.429 -2.877 548 HA3 GLY 72 1HA GLY 72 4.236 0.723 -2.284 549 H THR 73 H THR 73 4.229 1.403 -5.642 550 HA THR 73 HA THR 73 6.234 3.452 -5.305 551 HB THR 73 HB THR 73 4.983 2.473 -7.884 552 HG1 THR 73 HG1 THR 73 7.039 1.180 -7.858 553 HG21 THR 73 3HG2 THR 73 7.644 3.812 -7.330 554 HG22 THR 73 1HG2 THR 73 6.259 4.552 -8.135 555 HG23 THR 73 2HG2 THR 73 7.107 3.206 -8.897 556 H TYR 74 H TYR 74 2.827 3.400 -5.781 557 HA TYR 74 HA TYR 74 2.780 6.167 -6.805 558 HB2 TYR 74 2HB TYR 74 0.575 4.090 -6.715 559 HB3 TYR 74 1HB TYR 74 0.415 5.709 -7.385 560 HD1 TYR 74 HD1 TYR 74 2.029 2.411 -7.861 561 HD2 TYR 74 HD2 TYR 74 1.190 6.211 -9.593 562 HE1 TYR 74 HE1 TYR 74 2.755 1.566 -10.053 563 HE2 TYR 74 HE2 TYR 74 1.911 5.372 -11.790 564 HH TYR 74 HH TYR 74 3.338 3.612 -12.713 565 H VAL 75 H VAL 75 3.017 5.086 -3.849 566 HA VAL 75 HA VAL 75 0.695 6.573 -2.779 567 HB VAL 75 HB VAL 75 0.611 5.048 -0.871 568 HG11 VAL 75 1HG1 VAL 75 -0.291 3.081 -2.027 569 HG12 VAL 75 2HG1 VAL 75 0.478 3.606 -3.526 570 HG13 VAL 75 3HG1 VAL 75 -0.804 4.579 -2.804 571 HG21 VAL 75 3HG2 VAL 75 2.961 4.370 -0.806 572 HG22 VAL 75 1HG2 VAL 75 2.755 3.479 -2.316 573 HG23 VAL 75 2HG2 VAL 75 1.903 2.961 -0.862 574 H GLU 76 H GLU 76 0.950 7.855 -1.005 575 HA GLU 76 HA GLU 76 3.663 8.611 -0.221 576 HB2 GLU 76 2HB GLU 76 0.933 9.823 0.223 577 HB3 GLU 76 1HB GLU 76 2.357 10.423 1.061 578 HG2 GLU 76 2HG GLU 76 2.293 10.216 -1.923 579 HG3 GLU 76 1HG GLU 76 1.570 11.591 -1.093 580 H PHE 77 H PHE 77 4.570 8.008 1.691 581 HA PHE 77 HA PHE 77 3.171 6.418 3.608 582 HB2 PHE 77 2HB PHE 77 5.572 6.151 3.335 583 HB3 PHE 77 1HB PHE 77 5.848 7.833 3.777 584 HD1 PHE 77 HD2 PHE 77 4.310 4.714 5.159 585 HD2 PHE 77 HD1 PHE 77 6.437 8.319 5.964 586 HE1 PHE 77 HE2 PHE 77 4.542 4.053 7.514 587 HE2 PHE 77 HE1 PHE 77 6.664 7.658 8.322 588 HZ PHE 77 HZ PHE 77 5.717 5.525 9.098 589 H LEU 78 H LEU 78 1.468 7.384 4.587 590 HA LEU 78 HA LEU 78 1.473 10.147 5.355 591 HB2 LEU 78 2HB LEU 78 -0.476 7.964 6.110 592 HB3 LEU 78 1HB LEU 78 -0.742 9.690 6.286 593 HG LEU 78 HG LEU 78 -0.486 8.157 3.696 594 HD11 LEU 78 1HD1 LEU 78 -2.813 9.637 4.913 595 HD12 LEU 78 2HD1 LEU 78 -2.644 7.887 4.768 596 HD13 LEU 78 3HD1 LEU 78 -2.793 8.881 3.319 597 HD21 LEU 78 3HD2 LEU 78 -0.927 10.294 2.568 598 HD22 LEU 78 1HD2 LEU 78 0.599 10.318 3.449 599 HD23 LEU 78 2HD2 LEU 78 -0.818 11.130 4.117 600 H GLY 79 H GLY 79 1.568 7.090 7.203 601 HA2 GLY 79 2HA GLY 79 3.426 7.550 9.029 602 HA3 GLY 79 1HA GLY 79 2.158 8.591 9.650 603 HA PRO 80 HA PRO 80 1.550 4.242 11.327 604 HB2 PRO 80 2HB PRO 80 2.451 5.110 13.933 605 HB3 PRO 80 1HB PRO 80 3.164 3.893 12.875 606 HG2 PRO 80 2HG PRO 80 4.353 6.297 13.470 607 HG3 PRO 80 1HG PRO 80 4.681 5.363 11.999 608 HD2 PRO 80 2HD PRO 80 2.892 7.744 12.375 609 HD3 PRO 80 1HD PRO 80 3.996 7.362 11.033 610 H LEU 81 H LEU 81 -0.368 3.691 12.234 611 HA LEU 81 HA LEU 81 -2.171 5.802 13.047 612 HB2 LEU 81 2HB LEU 81 -2.571 2.812 12.846 613 HB3 LEU 81 1HB LEU 81 -3.835 3.941 13.292 614 HG LEU 81 HG LEU 81 -3.495 5.052 11.036 615 HD11 LEU 81 1HD1 LEU 81 -1.883 2.553 10.525 616 HD12 LEU 81 2HD1 LEU 81 -1.288 4.214 10.515 617 HD13 LEU 81 3HD1 LEU 81 -2.437 3.683 9.288 618 HD21 LEU 81 3HD2 LEU 81 -5.379 3.571 11.495 619 HD22 LEU 81 1HD2 LEU 81 -4.398 2.166 11.075 620 HD23 LEU 81 2HD2 LEU 81 -4.808 3.359 9.841 621 H GLU 82 H GLU 82 -3.190 6.041 15.047 622 HA GLU 82 HA GLU 82 -2.364 4.304 17.266 623 HB2 GLU 82 2HB GLU 82 -0.829 6.259 17.251 624 HB3 GLU 82 1HB GLU 82 -2.217 7.328 17.405 625 HG2 GLU 82 2HG GLU 82 -2.759 6.265 19.571 626 HG3 GLU 82 1HG GLU 82 -1.312 5.272 19.414 Start of MODEL 9 1 H1 MET 1 1H MET 1 -3.660 8.607 22.801 2 H2 MET 1 2H MET 1 -4.753 7.421 23.312 3 H3 MET 1 3H MET 1 -5.321 8.890 22.696 4 HA MET 1 HA MET 1 -5.550 7.118 21.068 5 HB2 MET 1 2HB MET 1 -3.477 9.224 20.406 6 HB3 MET 1 1HB MET 1 -4.304 8.243 19.205 7 HG2 MET 1 2HG MET 1 -5.275 10.471 19.410 8 HG3 MET 1 1HG MET 1 -6.431 9.205 19.827 9 HE1 MET 1 3HE MET 1 -6.866 12.313 20.590 10 HE2 MET 1 1HE MET 1 -7.507 12.106 22.219 11 HE3 MET 1 2HE MET 1 -8.004 11.009 20.930 12 H ALA 2 H ALA 2 -4.645 5.469 19.802 13 HA ALA 2 HA ALA 2 -2.216 4.257 20.819 14 HB1 ALA 2 3HB ALA 2 -4.214 2.923 20.296 15 HB2 ALA 2 1HB ALA 2 -2.805 2.384 19.382 16 HB3 ALA 2 2HB ALA 2 -4.051 3.355 18.594 17 H GLY 3 H GLY 3 -1.317 3.008 18.329 18 HA2 GLY 3 2HA GLY 3 -0.677 5.005 16.400 19 HA3 GLY 3 1HA GLY 3 0.641 4.833 17.539 20 HA PRO 4 HA PRO 4 2.582 1.936 15.077 21 HB2 PRO 4 2HB PRO 4 3.193 0.098 17.292 22 HB3 PRO 4 1HB PRO 4 4.274 1.116 16.340 23 HG2 PRO 4 2HG PRO 4 3.704 1.688 18.900 24 HG3 PRO 4 1HG PRO 4 3.943 2.965 17.692 25 HD2 PRO 4 2HD PRO 4 1.375 1.858 18.793 26 HD3 PRO 4 1HD PRO 4 1.836 3.550 18.498 27 H GLU 5 H GLU 5 -0.373 0.917 15.947 28 HA GLU 5 HA GLU 5 -0.305 -1.890 15.630 29 HB2 GLU 5 2HB GLU 5 -2.281 -0.633 16.435 30 HB3 GLU 5 1HB GLU 5 -2.507 0.029 14.824 31 HG2 GLU 5 2HG GLU 5 -4.059 -1.760 15.166 32 HG3 GLU 5 1HG GLU 5 -2.866 -2.261 13.967 33 H GLY 6 H GLY 6 -0.185 0.718 13.334 34 HA2 GLY 6 2HA GLY 6 0.757 -0.894 11.207 35 HA3 GLY 6 1HA GLY 6 -0.955 -0.560 10.972 36 H PHE 7 H PHE 7 0.200 0.446 8.982 37 HA PHE 7 HA PHE 7 0.699 3.291 9.572 38 HB2 PHE 7 2HB PHE 7 2.254 1.597 7.597 39 HB3 PHE 7 1HB PHE 7 2.446 3.332 7.829 40 HD1 PHE 7 HD1 PHE 7 3.029 4.086 10.275 41 HD2 PHE 7 HD2 PHE 7 3.632 0.145 8.770 42 HE1 PHE 7 HE1 PHE 7 4.692 3.669 12.039 43 HE2 PHE 7 HE2 PHE 7 5.288 -0.279 10.538 44 HZ PHE 7 HZ PHE 7 5.821 1.484 12.175 45 H GLN 8 H GLN 8 -0.026 4.775 8.063 46 HA GLN 8 HA GLN 8 -1.939 3.755 6.077 47 HB2 GLN 8 2HB GLN 8 -1.637 6.511 7.297 48 HB3 GLN 8 1HB GLN 8 -2.842 6.079 6.091 49 HG2 GLN 8 2HG GLN 8 -3.861 4.504 7.632 50 HG3 GLN 8 1HG GLN 8 -2.621 4.847 8.837 51 HE21 GLN 8 1HE2 GLN 8 -4.105 5.573 10.354 52 HE22 GLN 8 2HE2 GLN 8 -4.938 7.071 10.196 53 H TYR 9 H TYR 9 -1.550 3.916 3.961 54 HA TYR 9 HA TYR 9 0.563 5.764 3.018 55 HB2 TYR 9 2HB TYR 9 -0.191 3.041 1.919 56 HB3 TYR 9 1HB TYR 9 0.963 4.138 1.171 57 HD1 TYR 9 HD1 TYR 9 0.371 1.864 4.000 58 HD2 TYR 9 HD2 TYR 9 3.180 4.454 2.114 59 HE1 TYR 9 HE1 TYR 9 2.171 0.915 5.379 60 HE2 TYR 9 HE2 TYR 9 4.984 3.502 3.486 61 HH TYR 9 HH TYR 9 4.688 0.670 5.223 62 H ARG 10 H ARG 10 -0.042 7.243 1.504 63 HA ARG 10 HA ARG 10 -2.830 7.119 0.589 64 HB2 ARG 10 2HB ARG 10 -2.182 9.131 1.805 65 HB3 ARG 10 1HB ARG 10 -0.893 9.445 0.650 66 HG2 ARG 10 2HG ARG 10 -2.467 9.897 -1.095 67 HG3 ARG 10 1HG ARG 10 -3.815 9.348 -0.099 68 HD2 ARG 10 2HD ARG 10 -3.744 11.782 -0.193 69 HD3 ARG 10 1HD ARG 10 -3.438 11.211 1.448 70 HE ARG 10 HE ARG 10 -0.996 11.614 0.073 71 HH11 ARG 10 1HH1 ARG 10 -3.574 13.369 1.542 72 HH12 ARG 10 2HH1 ARG 10 -2.583 14.738 1.899 73 HH21 ARG 10 1HH2 ARG 10 0.261 13.369 0.547 74 HH22 ARG 10 2HH2 ARG 10 -0.441 14.729 1.353 75 H ALA 11 H ALA 11 -3.288 6.515 -1.412 76 HA ALA 11 HA ALA 11 -1.307 6.199 -3.459 77 HB1 ALA 11 3HB ALA 11 -3.162 5.429 -4.854 78 HB2 ALA 11 1HB ALA 11 -4.318 6.000 -3.648 79 HB3 ALA 11 2HB ALA 11 -3.220 4.676 -3.261 80 H LEU 12 H LEU 12 -0.519 7.816 -4.644 81 HA LEU 12 HA LEU 12 -1.875 10.364 -4.811 82 HB2 LEU 12 2HB LEU 12 0.741 9.452 -6.021 83 HB3 LEU 12 1HB LEU 12 0.162 11.107 -5.975 84 HG LEU 12 HG LEU 12 0.856 9.427 -3.553 85 HD11 LEU 12 1HD1 LEU 12 2.756 10.926 -3.304 86 HD12 LEU 12 2HD1 LEU 12 2.313 11.760 -4.795 87 HD13 LEU 12 3HD1 LEU 12 2.822 10.071 -4.845 88 HD21 LEU 12 3HD2 LEU 12 -0.928 10.999 -3.052 89 HD22 LEU 12 1HD2 LEU 12 0.003 12.319 -3.763 90 HD23 LEU 12 2HD2 LEU 12 0.576 11.523 -2.296 91 H TYR 13 H TYR 13 -0.982 7.794 -7.116 92 HA TYR 13 HA TYR 13 -2.554 9.219 -9.176 93 HB2 TYR 13 2HB TYR 13 -0.127 7.443 -9.551 94 HB3 TYR 13 1HB TYR 13 -1.090 8.118 -10.864 95 HD1 TYR 13 HD1 TYR 13 -1.180 10.612 -11.156 96 HD2 TYR 13 HD2 TYR 13 1.548 8.740 -8.473 97 HE1 TYR 13 HE1 TYR 13 0.164 12.666 -11.093 98 HE2 TYR 13 HE2 TYR 13 2.898 10.792 -8.406 99 HH TYR 13 HH TYR 13 3.283 12.794 -9.906 100 HA PRO 14 HA PRO 14 -5.255 5.694 -9.323 101 HB2 PRO 14 2HB PRO 14 -6.230 6.000 -11.868 102 HB3 PRO 14 1HB PRO 14 -6.776 6.947 -10.482 103 HG2 PRO 14 2HG PRO 14 -4.804 7.672 -12.618 104 HG3 PRO 14 1HG PRO 14 -6.071 8.669 -11.880 105 HD2 PRO 14 2HD PRO 14 -3.469 8.885 -11.170 106 HD3 PRO 14 1HD PRO 14 -4.789 9.139 -10.009 107 H PHE 15 H PHE 15 -4.647 3.647 -9.547 108 HA PHE 15 HA PHE 15 -3.063 2.846 -11.908 109 HB2 PHE 15 2HB PHE 15 -1.711 2.640 -9.924 110 HB3 PHE 15 1HB PHE 15 -2.998 1.797 -9.070 111 HD1 PHE 15 HD1 PHE 15 -0.784 1.477 -12.056 112 HD2 PHE 15 HD2 PHE 15 -3.009 -0.527 -9.026 113 HE1 PHE 15 HE1 PHE 15 0.148 -0.672 -12.798 114 HE2 PHE 15 HE2 PHE 15 -2.077 -2.680 -9.764 115 HZ PHE 15 HZ PHE 15 -0.495 -2.753 -11.653 116 H ARG 16 H ARG 16 -4.347 1.796 -13.308 117 HA ARG 16 HA ARG 16 -6.457 0.009 -12.377 118 HB2 ARG 16 2HB ARG 16 -6.997 -0.299 -14.744 119 HB3 ARG 16 1HB ARG 16 -6.884 1.413 -14.357 120 HG2 ARG 16 2HG ARG 16 -4.754 1.593 -15.422 121 HG3 ARG 16 1HG ARG 16 -4.638 -0.157 -15.614 122 HD2 ARG 16 2HD ARG 16 -6.698 1.615 -16.934 123 HD3 ARG 16 1HD ARG 16 -5.245 0.988 -17.712 124 HE ARG 16 HE ARG 16 -7.289 -0.836 -16.623 125 HH11 ARG 16 1HH1 ARG 16 -5.410 0.306 -19.289 126 HH12 ARG 16 2HH1 ARG 16 -5.893 -0.992 -20.316 127 HH21 ARG 16 1HH2 ARG 16 -7.896 -2.475 -17.958 128 HH22 ARG 16 2HH2 ARG 16 -7.302 -2.544 -19.579 129 H ARG 17 H ARG 17 -6.484 -2.245 -12.747 130 HA ARG 17 HA ARG 17 -3.840 -3.418 -13.385 131 HB2 ARG 17 2HB ARG 17 -4.529 -3.612 -10.978 132 HB3 ARG 17 1HB ARG 17 -5.899 -4.585 -11.498 133 HG2 ARG 17 2HG ARG 17 -4.158 -6.048 -10.742 134 HG3 ARG 17 1HG ARG 17 -4.307 -6.217 -12.486 135 HD2 ARG 17 2HD ARG 17 -2.360 -4.852 -12.845 136 HD3 ARG 17 1HD ARG 17 -2.264 -4.457 -11.128 137 HE ARG 17 HE ARG 17 -2.073 -7.159 -11.159 138 HH11 ARG 17 1HH1 ARG 17 -0.392 -4.693 -12.882 139 HH12 ARG 17 2HH1 ARG 17 1.108 -5.551 -12.862 140 HH21 ARG 17 1HH2 ARG 17 -0.132 -8.259 -11.162 141 HH22 ARG 17 2HH2 ARG 17 1.242 -7.549 -11.936 142 H GLU 18 H GLU 18 -3.789 -4.711 -15.104 143 HA GLU 18 HA GLU 18 -6.010 -5.218 -16.734 144 HB2 GLU 18 2HB GLU 18 -3.598 -5.199 -17.433 145 HB3 GLU 18 1HB GLU 18 -3.418 -6.779 -16.687 146 HG2 GLU 18 2HG GLU 18 -3.684 -7.032 -19.058 147 HG3 GLU 18 1HG GLU 18 -5.103 -7.683 -18.240 148 H ARG 19 H ARG 19 -4.655 -7.081 -14.099 149 HA ARG 19 HA ARG 19 -6.813 -9.075 -14.436 150 HB2 ARG 19 2HB ARG 19 -4.186 -9.457 -12.968 151 HB3 ARG 19 1HB ARG 19 -5.429 -10.677 -13.213 152 HG2 ARG 19 2HG ARG 19 -3.708 -9.402 -15.339 153 HG3 ARG 19 1HG ARG 19 -3.596 -11.056 -14.736 154 HD2 ARG 19 2HD ARG 19 -5.943 -9.862 -16.222 155 HD3 ARG 19 1HD ARG 19 -4.739 -10.956 -16.901 156 HE ARG 19 HE ARG 19 -5.606 -12.530 -15.052 157 HH11 ARG 19 1HH1 ARG 19 -7.534 -10.285 -16.815 158 HH12 ARG 19 2HH1 ARG 19 -8.968 -11.235 -16.680 159 HH21 ARG 19 1HH2 ARG 19 -7.430 -13.757 -14.901 160 HH22 ARG 19 2HH2 ARG 19 -8.906 -13.204 -15.618 161 HA PRO 20 HA PRO 20 -8.404 -6.789 -10.896 162 HB2 PRO 20 2HB PRO 20 -10.588 -8.399 -10.444 163 HB3 PRO 20 1HB PRO 20 -10.519 -7.140 -11.679 164 HG2 PRO 20 2HG PRO 20 -10.079 -10.091 -11.958 165 HG3 PRO 20 1HG PRO 20 -10.998 -8.992 -13.005 166 HD2 PRO 20 2HD PRO 20 -8.529 -9.808 -13.661 167 HD3 PRO 20 1HD PRO 20 -9.083 -8.159 -14.023 168 H GLU 21 H GLU 21 -6.780 -9.635 -10.710 169 HA GLU 21 HA GLU 21 -7.538 -10.625 -8.145 170 HB2 GLU 21 2HB GLU 21 -4.923 -10.985 -9.627 171 HB3 GLU 21 1HB GLU 21 -5.526 -11.990 -8.313 172 HG2 GLU 21 2HG GLU 21 -7.335 -12.788 -9.677 173 HG3 GLU 21 1HG GLU 21 -6.906 -11.672 -10.972 174 H ASP 22 H ASP 22 -5.422 -8.069 -9.202 175 HA ASP 22 HA ASP 22 -4.188 -7.796 -6.557 176 HB2 ASP 22 2HB ASP 22 -3.751 -6.157 -9.066 177 HB3 ASP 22 1HB ASP 22 -2.793 -6.078 -7.594 178 H LEU 23 H LEU 23 -3.866 -5.069 -6.312 179 HA LEU 23 HA LEU 23 -6.648 -4.179 -5.848 180 HB2 LEU 23 2HB LEU 23 -5.237 -4.501 -3.843 181 HB3 LEU 23 1HB LEU 23 -4.106 -3.309 -4.455 182 HG LEU 23 HG LEU 23 -5.872 -1.577 -4.303 183 HD11 LEU 23 1HD1 LEU 23 -7.940 -2.083 -3.066 184 HD12 LEU 23 2HD1 LEU 23 -7.508 -3.793 -3.070 185 HD13 LEU 23 3HD1 LEU 23 -7.833 -2.960 -4.591 186 HD21 LEU 23 3HD2 LEU 23 -4.308 -1.876 -2.460 187 HD22 LEU 23 1HD2 LEU 23 -5.367 -3.087 -1.737 188 HD23 LEU 23 2HD2 LEU 23 -5.899 -1.410 -1.859 189 H GLU 24 H GLU 24 -7.378 -2.637 -7.163 190 HA GLU 24 HA GLU 24 -5.576 -0.907 -8.641 191 HB2 GLU 24 2HB GLU 24 -8.605 -0.978 -8.568 192 HB3 GLU 24 1HB GLU 24 -7.633 -0.027 -9.685 193 HG2 GLU 24 2HG GLU 24 -6.668 -2.145 -10.563 194 HG3 GLU 24 1HG GLU 24 -7.785 -3.036 -9.529 195 H LEU 25 H LEU 25 -5.414 1.337 -8.421 196 HA LEU 25 HA LEU 25 -6.322 2.359 -5.798 197 HB2 LEU 25 2HB LEU 25 -3.797 3.087 -7.291 198 HB3 LEU 25 1HB LEU 25 -4.268 3.673 -5.706 199 HG LEU 25 HG LEU 25 -3.517 0.830 -6.422 200 HD11 LEU 25 1HD1 LEU 25 -1.606 2.332 -6.292 201 HD12 LEU 25 2HD1 LEU 25 -1.613 1.209 -4.933 202 HD13 LEU 25 3HD1 LEU 25 -2.124 2.881 -4.697 203 HD21 LEU 25 3HD2 LEU 25 -4.383 1.974 -3.764 204 HD22 LEU 25 1HD2 LEU 25 -3.747 0.349 -4.025 205 HD23 LEU 25 2HD2 LEU 25 -5.283 0.821 -4.750 206 H LEU 26 H LEU 26 -7.187 4.390 -5.646 207 HA LEU 26 HA LEU 26 -7.452 5.962 -8.135 208 HB2 LEU 26 2HB LEU 26 -9.335 5.539 -5.827 209 HB3 LEU 26 1HB LEU 26 -9.468 6.983 -6.807 210 HG LEU 26 HG LEU 26 -11.069 5.330 -7.561 211 HD11 LEU 26 1HD1 LEU 26 -10.477 5.188 -9.924 212 HD12 LEU 26 2HD1 LEU 26 -8.804 5.599 -9.538 213 HD13 LEU 26 3HD1 LEU 26 -10.090 6.776 -9.259 214 HD21 LEU 26 3HD2 LEU 26 -10.409 3.171 -8.469 215 HD22 LEU 26 1HD2 LEU 26 -9.917 3.309 -6.782 216 HD23 LEU 26 2HD2 LEU 26 -8.723 3.496 -8.067 217 HA PRO 27 HA PRO 27 -5.140 9.274 -6.430 218 HB2 PRO 27 2HB PRO 27 -6.579 11.496 -7.196 219 HB3 PRO 27 1HB PRO 27 -5.530 10.567 -8.273 220 HG2 PRO 27 2HG PRO 27 -8.504 10.418 -7.929 221 HG3 PRO 27 1HG PRO 27 -7.548 10.400 -9.424 222 HD2 PRO 27 2HD PRO 27 -8.551 8.141 -8.379 223 HD3 PRO 27 1HD PRO 27 -6.961 8.166 -9.167 224 H GLY 28 H GLY 28 -5.012 9.564 -4.295 225 HA2 GLY 28 2HA GLY 28 -5.449 10.919 -2.402 226 HA3 GLY 28 1HA GLY 28 -7.096 11.142 -2.963 227 H ASP 29 H ASP 29 -5.974 7.886 -3.040 228 HA ASP 29 HA ASP 29 -7.833 7.124 -0.985 229 HB2 ASP 29 2HB ASP 29 -6.047 5.662 -2.871 230 HB3 ASP 29 1HB ASP 29 -6.600 4.803 -1.437 231 H VAL 30 H VAL 30 -7.507 6.626 1.091 232 HA VAL 30 HA VAL 30 -4.760 6.606 2.146 233 HB VAL 30 HB VAL 30 -7.385 6.692 3.660 234 HG11 VAL 30 1HG1 VAL 30 -5.585 5.673 4.967 235 HG12 VAL 30 2HG1 VAL 30 -6.012 7.257 5.613 236 HG13 VAL 30 3HG1 VAL 30 -4.550 7.066 4.646 237 HG21 VAL 30 3HG2 VAL 30 -6.868 9.047 4.084 238 HG22 VAL 30 1HG2 VAL 30 -7.012 8.735 2.354 239 HG23 VAL 30 2HG2 VAL 30 -5.417 8.919 3.087 240 H LEU 31 H LEU 31 -3.980 4.579 1.753 241 HA LEU 31 HA LEU 31 -5.619 2.221 2.094 242 HB2 LEU 31 2HB LEU 31 -2.717 2.582 1.343 243 HB3 LEU 31 1HB LEU 31 -3.481 1.012 1.500 244 HG LEU 31 HG LEU 31 -5.101 1.714 -0.303 245 HD11 LEU 31 1HD1 LEU 31 -4.824 4.136 -0.101 246 HD12 LEU 31 2HD1 LEU 31 -4.491 3.585 -1.741 247 HD13 LEU 31 3HD1 LEU 31 -3.157 3.995 -0.661 248 HD21 LEU 31 3HD2 LEU 31 -3.229 0.243 -0.781 249 HD22 LEU 31 1HD2 LEU 31 -2.165 1.633 -1.002 250 HD23 LEU 31 2HD2 LEU 31 -3.491 1.349 -2.127 251 H VAL 32 H VAL 32 -5.667 0.862 3.772 252 HA VAL 32 HA VAL 32 -4.072 1.485 6.150 253 HB VAL 32 HB VAL 32 -6.410 -0.417 5.816 254 HG11 VAL 32 1HG1 VAL 32 -4.980 -1.115 7.650 255 HG12 VAL 32 2HG1 VAL 32 -6.475 -0.428 8.283 256 HG13 VAL 32 3HG1 VAL 32 -4.987 0.520 8.314 257 HG21 VAL 32 3HG2 VAL 32 -7.065 1.914 5.492 258 HG22 VAL 32 1HG2 VAL 32 -6.302 2.356 7.020 259 HG23 VAL 32 2HG2 VAL 32 -7.706 1.290 7.012 260 H VAL 33 H VAL 33 -2.134 0.501 6.230 261 HA VAL 33 HA VAL 33 -1.960 -2.357 5.472 262 HB VAL 33 HB VAL 33 0.257 -0.289 5.385 263 HG11 VAL 33 1HG1 VAL 33 1.093 -2.522 5.938 264 HG12 VAL 33 2HG1 VAL 33 1.590 -2.048 4.314 265 HG13 VAL 33 3HG1 VAL 33 0.264 -3.192 4.531 266 HG21 VAL 33 3HG2 VAL 33 -1.360 0.076 3.604 267 HG22 VAL 33 1HG2 VAL 33 -1.260 -1.622 3.137 268 HG23 VAL 33 2HG2 VAL 33 0.142 -0.570 2.942 269 H SER 34 H SER 34 -1.746 -3.649 7.185 270 HA SER 34 HA SER 34 -1.073 -2.763 9.800 271 HB2 SER 34 2HB SER 34 -1.078 -5.175 10.380 272 HB3 SER 34 1HB SER 34 -2.499 -4.723 9.437 273 HG SER 34 HG SER 34 -1.170 -6.710 8.853 274 H ARG 35 H ARG 35 0.833 -2.956 10.998 275 HA ARG 35 HA ARG 35 3.263 -2.895 9.519 276 HB2 ARG 35 2HB ARG 35 4.391 -2.668 11.678 277 HB3 ARG 35 1HB ARG 35 3.005 -1.600 11.570 278 HG2 ARG 35 2HG ARG 35 2.798 -2.389 13.714 279 HG3 ARG 35 1HG ARG 35 1.771 -3.523 12.843 280 HD2 ARG 35 2HD ARG 35 3.551 -5.178 12.825 281 HD3 ARG 35 1HD ARG 35 4.659 -4.027 13.572 282 HE ARG 35 HE ARG 35 2.247 -4.670 15.069 283 HH11 ARG 35 1HH1 ARG 35 5.612 -5.222 14.597 284 HH12 ARG 35 2HH1 ARG 35 5.837 -5.910 16.166 285 HH21 ARG 35 1HH2 ARG 35 2.547 -5.565 17.085 286 HH22 ARG 35 2HH2 ARG 35 4.123 -6.093 17.559 287 H ALA 36 H ALA 36 1.505 -5.435 11.081 288 HA ALA 36 HA ALA 36 3.510 -7.405 11.259 289 HB1 ALA 36 3HB ALA 36 1.658 -9.024 11.213 290 HB2 ALA 36 1HB ALA 36 0.555 -7.738 10.719 291 HB3 ALA 36 2HB ALA 36 1.330 -7.676 12.301 292 H ALA 37 H ALA 37 1.438 -6.409 8.558 293 HA ALA 37 HA ALA 37 2.156 -8.404 6.718 294 HB1 ALA 37 3HB ALA 37 1.379 -6.857 4.989 295 HB2 ALA 37 1HB ALA 37 1.383 -5.536 6.160 296 HB3 ALA 37 2HB ALA 37 0.269 -6.891 6.359 297 H LEU 38 H LEU 38 3.626 -5.213 7.329 298 HA LEU 38 HA LEU 38 5.673 -5.332 5.419 299 HB2 LEU 38 2HB LEU 38 5.728 -4.039 8.156 300 HB3 LEU 38 1HB LEU 38 6.868 -3.713 6.863 301 HG LEU 38 HG LEU 38 3.905 -3.086 6.820 302 HD11 LEU 38 1HD1 LEU 38 6.311 -1.265 6.959 303 HD12 LEU 38 2HD1 LEU 38 5.203 -1.617 8.285 304 HD13 LEU 38 3HD1 LEU 38 4.624 -0.757 6.858 305 HD21 LEU 38 3HD2 LEU 38 6.039 -2.540 4.747 306 HD22 LEU 38 1HD2 LEU 38 4.372 -1.968 4.689 307 HD23 LEU 38 2HD2 LEU 38 4.714 -3.694 4.592 308 H GLN 39 H GLN 39 5.644 -6.434 8.807 309 HA GLN 39 HA GLN 39 8.246 -7.475 8.913 310 HB2 GLN 39 2HB GLN 39 5.725 -8.275 10.378 311 HB3 GLN 39 1HB GLN 39 7.300 -8.973 10.736 312 HG2 GLN 39 2HG GLN 39 8.169 -6.792 11.344 313 HG3 GLN 39 1HG GLN 39 6.637 -6.035 10.908 314 HE21 GLN 39 1HE2 GLN 39 8.103 -6.134 13.469 315 HE22 GLN 39 2HE2 GLN 39 6.995 -6.800 14.616 316 H ALA 40 H ALA 40 5.214 -8.990 7.844 317 HA ALA 40 HA ALA 40 6.240 -11.569 7.330 318 HB1 ALA 40 3HB ALA 40 4.255 -11.909 5.965 319 HB2 ALA 40 1HB ALA 40 3.953 -10.170 5.937 320 HB3 ALA 40 2HB ALA 40 3.834 -11.061 7.455 321 H LEU 41 H LEU 41 6.148 -8.641 5.360 322 HA LEU 41 HA LEU 41 7.250 -9.848 3.000 323 HB2 LEU 41 2HB LEU 41 7.124 -6.947 3.854 324 HB3 LEU 41 1HB LEU 41 7.586 -7.501 2.255 325 HG LEU 41 HG LEU 41 4.865 -7.940 3.503 326 HD11 LEU 41 1HD1 LEU 41 4.073 -6.235 1.945 327 HD12 LEU 41 2HD1 LEU 41 5.727 -5.953 1.399 328 HD13 LEU 41 3HD1 LEU 41 5.268 -5.572 3.061 329 HD21 LEU 41 3HD2 LEU 41 5.851 -8.414 0.686 330 HD22 LEU 41 1HD2 LEU 41 4.193 -8.620 1.255 331 HD23 LEU 41 2HD2 LEU 41 5.473 -9.662 1.875 332 H GLY 42 H GLY 42 8.579 -8.793 5.973 333 HA2 GLY 42 2HA GLY 42 10.783 -9.277 6.669 334 HA3 GLY 42 1HA GLY 42 11.285 -9.339 4.989 335 H VAL 43 H VAL 43 9.378 -6.624 5.929 336 HA VAL 43 HA VAL 43 11.589 -4.836 5.357 337 HB VAL 43 HB VAL 43 8.738 -4.139 6.111 338 HG11 VAL 43 1HG1 VAL 43 10.268 -2.270 6.428 339 HG12 VAL 43 2HG1 VAL 43 9.232 -1.981 5.031 340 HG13 VAL 43 3HG1 VAL 43 10.904 -2.488 4.796 341 HG21 VAL 43 3HG2 VAL 43 9.984 -4.479 3.377 342 HG22 VAL 43 1HG2 VAL 43 8.367 -3.845 3.691 343 HG23 VAL 43 2HG2 VAL 43 8.754 -5.516 4.107 344 H ALA 44 H ALA 44 12.983 -4.275 6.909 345 HA ALA 44 HA ALA 44 12.156 -4.130 9.706 346 HB1 ALA 44 3HB ALA 44 14.273 -5.252 9.116 347 HB2 ALA 44 1HB ALA 44 14.517 -3.891 10.212 348 HB3 ALA 44 2HB ALA 44 14.895 -3.722 8.498 349 H GLU 45 H GLU 45 12.415 -2.239 11.000 350 HA GLU 45 HA GLU 45 11.514 0.155 9.971 351 HB2 GLU 45 2HB GLU 45 12.274 1.208 12.055 352 HB3 GLU 45 1HB GLU 45 11.496 -0.340 12.355 353 HG2 GLU 45 2HG GLU 45 13.674 -1.402 12.630 354 HG3 GLU 45 1HG GLU 45 14.474 0.133 12.289 355 H GLY 46 H GLY 46 12.473 2.166 9.460 356 HA2 GLY 46 2HA GLY 46 14.337 3.517 8.801 357 HA3 GLY 46 1HA GLY 46 15.317 2.064 8.677 358 H GLY 47 H GLY 47 13.143 0.633 7.249 359 HA2 GLY 47 2HA GLY 47 13.255 2.039 4.640 360 HA3 GLY 47 1HA GLY 47 13.302 0.293 4.810 361 H GLU 48 H GLU 48 11.155 1.443 7.067 362 HA GLU 48 HA GLU 48 8.940 0.228 5.805 363 HB2 GLU 48 2HB GLU 48 7.642 0.885 7.709 364 HB3 GLU 48 1HB GLU 48 9.235 0.421 8.280 365 HG2 GLU 48 2HG GLU 48 8.405 3.286 7.836 366 HG3 GLU 48 1HG GLU 48 8.216 2.445 9.369 367 H ARG 49 H ARG 49 9.914 3.602 6.112 368 HA ARG 49 HA ARG 49 7.486 4.590 4.894 369 HB2 ARG 49 2HB ARG 49 8.544 6.807 5.056 370 HB3 ARG 49 1HB ARG 49 8.568 5.945 6.587 371 HG2 ARG 49 2HG ARG 49 10.915 5.386 6.267 372 HG3 ARG 49 1HG ARG 49 10.906 6.184 4.692 373 HD2 ARG 49 2HD ARG 49 10.357 8.317 5.785 374 HD3 ARG 49 1HD ARG 49 10.383 7.516 7.355 375 HE ARG 49 HE ARG 49 12.821 6.973 6.588 376 HH11 ARG 49 1HH1 ARG 49 11.090 9.929 6.201 377 HH12 ARG 49 2HH1 ARG 49 12.525 10.895 6.195 378 HH21 ARG 49 1HH2 ARG 49 14.649 8.230 6.560 379 HH22 ARG 49 2HH2 ARG 49 14.509 9.944 6.377 380 H CYS 50 H CYS 50 9.767 2.871 3.473 381 HA CYS 50 HA CYS 50 9.688 4.465 0.978 382 HB2 CYS 50 2HB CYS 50 11.904 2.654 1.960 383 HB3 CYS 50 1HB CYS 50 11.830 3.326 0.335 384 HG CYS 50 HG CYS 50 11.495 5.896 2.209 385 HA PRO 51 HA PRO 51 7.400 0.408 0.365 386 HB2 PRO 51 2HB PRO 51 5.422 1.520 -1.188 387 HB3 PRO 51 1HB PRO 51 5.338 1.387 0.571 388 HG2 PRO 51 2HG PRO 51 6.124 3.737 -1.116 389 HG3 PRO 51 1HG PRO 51 5.083 3.687 0.320 390 HD2 PRO 51 2HD PRO 51 7.642 4.499 0.463 391 HD3 PRO 51 1HD PRO 51 6.887 3.574 1.777 392 H GLN 52 H GLN 52 8.548 2.907 -1.800 393 HA GLN 52 HA GLN 52 8.353 1.634 -4.277 394 HB2 GLN 52 2HB GLN 52 9.030 3.969 -4.076 395 HB3 GLN 52 1HB GLN 52 10.505 3.503 -3.240 396 HG2 GLN 52 2HG GLN 52 11.034 4.071 -5.510 397 HG3 GLN 52 1HG GLN 52 11.266 2.339 -5.283 398 HE21 GLN 52 1HE2 GLN 52 9.848 0.901 -6.282 399 HE22 GLN 52 2HE2 GLN 52 8.794 1.385 -7.562 400 H SER 53 H SER 53 10.701 1.184 -1.679 401 HA SER 53 HA SER 53 12.527 -0.422 -3.194 402 HB2 SER 53 2HB SER 53 13.241 0.754 -1.153 403 HB3 SER 53 1HB SER 53 12.148 -0.236 -0.189 404 HG SER 53 HG SER 53 14.361 -0.972 -0.209 405 H VAL 54 H VAL 54 9.838 -1.148 -1.012 406 HA VAL 54 HA VAL 54 10.155 -3.962 -0.945 407 HB VAL 54 HB VAL 54 7.577 -2.405 -0.604 408 HG11 VAL 54 1HG1 VAL 54 8.408 -5.123 0.430 409 HG12 VAL 54 2HG1 VAL 54 7.210 -4.801 -0.823 410 HG13 VAL 54 3HG1 VAL 54 6.908 -4.287 0.836 411 HG21 VAL 54 3HG2 VAL 54 9.314 -1.480 0.838 412 HG22 VAL 54 1HG2 VAL 54 9.671 -3.089 1.467 413 HG23 VAL 54 2HG2 VAL 54 8.105 -2.342 1.791 414 H GLY 55 H GLY 55 8.329 -1.827 -3.099 415 HA2 GLY 55 2HA GLY 55 7.900 -2.305 -5.375 416 HA3 GLY 55 1HA GLY 55 8.116 -4.016 -5.043 417 H TRP 56 H TRP 56 6.383 -5.106 -3.825 418 HA TRP 56 HA TRP 56 3.744 -3.833 -4.240 419 HB2 TRP 56 2HB TRP 56 2.822 -6.035 -4.771 420 HB3 TRP 56 1HB TRP 56 4.142 -5.650 -5.868 421 HD1 TRP 56 HD1 TRP 56 6.537 -6.954 -5.349 422 HE1 TRP 56 HE1 TRP 56 6.938 -9.305 -4.380 423 HE3 TRP 56 HE3 TRP 56 1.947 -7.751 -3.235 424 HZ2 TRP 56 HZ2 TRP 56 5.490 -11.247 -2.925 425 HZ3 TRP 56 HZ3 TRP 56 1.536 -9.882 -2.075 426 HH2 TRP 56 HH2 TRP 56 3.274 -11.593 -1.923 427 H MET 57 H MET 57 2.214 -4.046 -2.605 428 HA MET 57 HA MET 57 2.913 -5.683 -0.262 429 HB2 MET 57 2HB MET 57 2.050 -2.783 -0.068 430 HB3 MET 57 1HB MET 57 2.330 -3.870 1.286 431 HG2 MET 57 2HG MET 57 4.701 -4.055 0.591 432 HG3 MET 57 1HG MET 57 4.389 -2.855 -0.664 433 HE1 MET 57 3HE MET 57 2.286 -0.967 0.947 434 HE2 MET 57 1HE MET 57 3.566 -0.332 -0.089 435 HE3 MET 57 2HE MET 57 3.382 0.269 1.561 436 HA PRO 58 HA PRO 58 -1.525 -6.436 -0.416 437 HB2 PRO 58 2HB PRO 58 -1.733 -8.092 1.683 438 HB3 PRO 58 1HB PRO 58 -0.910 -8.591 0.199 439 HG2 PRO 58 2HG PRO 58 0.261 -7.658 2.794 440 HG3 PRO 58 1HG PRO 58 0.797 -8.977 1.737 441 HD2 PRO 58 2HD PRO 58 1.920 -6.445 1.783 442 HD3 PRO 58 1HD PRO 58 2.018 -7.566 0.410 443 H GLY 59 H GLY 59 -2.931 -4.851 0.183 444 HA2 GLY 59 2HA GLY 59 -3.197 -4.190 3.028 445 HA3 GLY 59 1HA GLY 59 -2.776 -2.873 1.946 446 H LEU 60 H LEU 60 -4.930 -2.366 3.264 447 HA LEU 60 HA LEU 60 -7.263 -3.230 1.686 448 HB2 LEU 60 2HB LEU 60 -7.422 -3.593 4.091 449 HB3 LEU 60 1HB LEU 60 -7.089 -1.898 4.395 450 HG LEU 60 HG LEU 60 -9.225 -1.285 3.321 451 HD11 LEU 60 1HD1 LEU 60 -9.685 -4.262 3.111 452 HD12 LEU 60 2HD1 LEU 60 -9.424 -3.155 1.764 453 HD13 LEU 60 3HD1 LEU 60 -10.869 -3.001 2.762 454 HD21 LEU 60 3HD2 LEU 60 -9.132 -1.638 5.736 455 HD22 LEU 60 1HD2 LEU 60 -9.509 -3.347 5.508 456 HD23 LEU 60 2HD2 LEU 60 -10.698 -2.116 5.082 457 H ASN 61 H ASN 61 -8.364 -1.858 0.417 458 HA ASN 61 HA ASN 61 -7.509 0.953 0.280 459 HB2 ASN 61 2HB ASN 61 -7.385 -0.350 -1.795 460 HB3 ASN 61 1HB ASN 61 -9.096 -0.747 -1.667 461 HD21 ASN 61 1HD2 ASN 61 -6.784 1.729 -2.433 462 HD22 ASN 61 2HD2 ASN 61 -7.910 2.818 -3.165 463 H GLU 62 H GLU 62 -9.023 2.677 0.287 464 HA GLU 62 HA GLU 62 -11.502 2.131 1.734 465 HB2 GLU 62 2HB GLU 62 -9.900 4.609 1.176 466 HB3 GLU 62 1HB GLU 62 -11.566 4.740 1.729 467 HG2 GLU 62 2HG GLU 62 -9.502 3.134 3.217 468 HG3 GLU 62 1HG GLU 62 -9.735 4.861 3.487 469 H ARG 63 H ARG 63 -10.491 3.419 -1.405 470 HA ARG 63 HA ARG 63 -12.893 4.528 -2.295 471 HB2 ARG 63 2HB ARG 63 -10.530 4.493 -3.376 472 HB3 ARG 63 1HB ARG 63 -11.049 2.992 -4.121 473 HG2 ARG 63 2HG ARG 63 -11.427 4.678 -5.715 474 HG3 ARG 63 1HG ARG 63 -13.015 4.281 -5.059 475 HD2 ARG 63 2HD ARG 63 -12.555 6.741 -5.337 476 HD3 ARG 63 1HD ARG 63 -13.040 6.254 -3.714 477 HE ARG 63 HE ARG 63 -10.257 6.202 -3.810 478 HH11 ARG 63 1HH1 ARG 63 -12.758 8.562 -4.073 479 HH12 ARG 63 2HH1 ARG 63 -11.794 9.810 -3.366 480 HH21 ARG 63 1HH2 ARG 63 -9.057 7.803 -2.891 481 HH22 ARG 63 2HH2 ARG 63 -9.733 9.386 -2.699 482 H THR 64 H THR 64 -11.670 1.222 -2.782 483 HA THR 64 HA THR 64 -14.308 0.330 -3.732 484 HB THR 64 HB THR 64 -13.175 -1.695 -4.494 485 HG1 THR 64 HG1 THR 64 -10.770 -1.646 -4.261 486 HG21 THR 64 3HG2 THR 64 -11.657 0.810 -5.260 487 HG22 THR 64 1HG2 THR 64 -13.139 0.218 -6.013 488 HG23 THR 64 2HG2 THR 64 -11.644 -0.707 -6.160 489 H ARG 65 H ARG 65 -12.390 0.296 -0.919 490 HA ARG 65 HA ARG 65 -12.518 -0.725 1.103 491 HB2 ARG 65 2HB ARG 65 -15.240 -1.581 0.101 492 HB3 ARG 65 1HB ARG 65 -14.688 -1.755 1.763 493 HG2 ARG 65 2HG ARG 65 -14.519 0.639 2.010 494 HG3 ARG 65 1HG ARG 65 -14.914 0.879 0.307 495 HD2 ARG 65 2HD ARG 65 -16.851 1.301 1.711 496 HD3 ARG 65 1HD ARG 65 -17.120 -0.103 0.682 497 HE ARG 65 HE ARG 65 -16.225 -0.489 3.448 498 HH11 ARG 65 1HH1 ARG 65 -18.604 -0.909 1.005 499 HH12 ARG 65 2HH1 ARG 65 -19.583 -1.944 1.984 500 HH21 ARG 65 1HH2 ARG 65 -17.480 -1.839 4.690 501 HH22 ARG 65 2HH2 ARG 65 -18.966 -2.443 4.047 502 H GLN 66 H GLN 66 -11.636 -2.235 -1.413 503 HA GLN 66 HA GLN 66 -11.989 -5.004 -0.477 504 HB2 GLN 66 2HB GLN 66 -10.981 -3.958 -3.133 505 HB3 GLN 66 1HB GLN 66 -11.164 -5.655 -2.717 506 HG2 GLN 66 2HG GLN 66 -13.386 -3.627 -2.916 507 HG3 GLN 66 1HG GLN 66 -13.010 -4.883 -4.094 508 HE21 GLN 66 1HE2 GLN 66 -13.422 -7.059 -3.544 509 HE22 GLN 66 2HE2 GLN 66 -14.543 -7.466 -2.294 510 H ARG 67 H ARG 67 -10.176 -6.456 -0.412 511 HA ARG 67 HA ARG 67 -7.612 -5.159 0.211 512 HB2 ARG 67 2HB ARG 67 -8.661 -7.945 0.735 513 HB3 ARG 67 1HB ARG 67 -6.993 -7.480 1.036 514 HG2 ARG 67 2HG ARG 67 -7.735 -5.809 2.650 515 HG3 ARG 67 1HG ARG 67 -9.417 -6.239 2.331 516 HD2 ARG 67 2HD ARG 67 -8.559 -7.288 4.383 517 HD3 ARG 67 1HD ARG 67 -9.042 -8.476 3.175 518 HE ARG 67 HE ARG 67 -6.588 -8.642 2.646 519 HH11 ARG 67 1HH1 ARG 67 -7.658 -7.579 5.732 520 HH12 ARG 67 2HH1 ARG 67 -6.287 -8.233 6.559 521 HH21 ARG 67 1HH2 ARG 67 -4.816 -9.467 3.707 522 HH22 ARG 67 2HH2 ARG 67 -4.676 -9.268 5.418 523 H GLY 68 H GLY 68 -5.659 -5.798 -0.753 524 HA2 GLY 68 2HA GLY 68 -5.320 -7.904 -2.573 525 HA3 GLY 68 1HA GLY 68 -5.756 -6.476 -3.500 526 H ASP 69 H ASP 69 -3.465 -7.301 -4.252 527 HA ASP 69 HA ASP 69 -1.326 -6.119 -2.635 528 HB2 ASP 69 2HB ASP 69 -1.048 -7.635 -5.243 529 HB3 ASP 69 1HB ASP 69 0.203 -7.315 -4.042 530 H PHE 70 H PHE 70 -0.538 -4.142 -3.075 531 HA PHE 70 HA PHE 70 -1.038 -2.992 -5.751 532 HB2 PHE 70 2HB PHE 70 -1.361 -0.796 -4.703 533 HB3 PHE 70 1HB PHE 70 -2.524 -1.964 -4.087 534 HD1 PHE 70 HD1 PHE 70 -2.354 -2.801 -1.788 535 HD2 PHE 70 HD2 PHE 70 0.331 0.160 -3.270 536 HE1 PHE 70 HE1 PHE 70 -1.665 -2.275 0.513 537 HE2 PHE 70 HE2 PHE 70 1.015 0.688 -0.969 538 HZ PHE 70 HZ PHE 70 0.022 -0.531 0.924 539 HA PRO 71 HA PRO 71 3.364 -2.131 -5.867 540 HB2 PRO 71 2HB PRO 71 3.332 -0.182 -7.784 541 HB3 PRO 71 1HB PRO 71 3.186 -1.906 -8.144 542 HG2 PRO 71 2HG PRO 71 1.040 0.174 -7.931 543 HG3 PRO 71 1HG PRO 71 1.220 -1.132 -9.117 544 HD2 PRO 71 2HD PRO 71 -0.485 -1.297 -7.016 545 HD3 PRO 71 1HD PRO 71 0.336 -2.721 -7.690 546 H GLY 72 H GLY 72 4.304 -1.064 -4.244 547 HA2 GLY 72 2HA GLY 72 3.146 1.038 -2.811 548 HA3 GLY 72 1HA GLY 72 4.816 0.526 -2.681 549 H THR 73 H THR 73 4.988 1.254 -5.713 550 HA THR 73 HA THR 73 6.283 3.705 -5.423 551 HB THR 73 HB THR 73 6.816 2.383 -7.327 552 HG1 THR 73 HG1 THR 73 6.446 3.945 -9.045 553 HG21 THR 73 3HG2 THR 73 3.973 2.754 -8.277 554 HG22 THR 73 1HG2 THR 73 4.649 1.263 -7.618 555 HG23 THR 73 2HG2 THR 73 5.257 1.910 -9.142 556 H TYR 74 H TYR 74 2.878 3.087 -6.091 557 HA TYR 74 HA TYR 74 2.333 5.812 -6.905 558 HB2 TYR 74 2HB TYR 74 0.441 3.529 -6.288 559 HB3 TYR 74 1HB TYR 74 -0.050 5.091 -6.929 560 HD1 TYR 74 HD1 TYR 74 1.712 1.959 -7.685 561 HD2 TYR 74 HD2 TYR 74 0.307 5.655 -9.262 562 HE1 TYR 74 HE1 TYR 74 2.088 1.126 -9.961 563 HE2 TYR 74 HE2 TYR 74 0.680 4.823 -11.547 564 HH TYR 74 HH TYR 74 1.408 1.501 -12.185 565 H VAL 75 H VAL 75 2.593 4.249 -3.874 566 HA VAL 75 HA VAL 75 0.784 6.209 -2.600 567 HB VAL 75 HB VAL 75 0.596 4.707 -0.697 568 HG11 VAL 75 1HG1 VAL 75 0.121 3.266 -3.309 569 HG12 VAL 75 2HG1 VAL 75 -0.982 4.401 -2.530 570 HG13 VAL 75 3HG1 VAL 75 -0.618 2.855 -1.760 571 HG21 VAL 75 3HG2 VAL 75 1.589 2.459 -0.714 572 HG22 VAL 75 1HG2 VAL 75 2.831 3.711 -0.740 573 HG23 VAL 75 2HG2 VAL 75 2.428 2.839 -2.218 574 H GLU 76 H GLU 76 1.451 7.457 -0.894 575 HA GLU 76 HA GLU 76 4.320 7.357 -0.184 576 HB2 GLU 76 2HB GLU 76 4.086 9.721 0.498 577 HB3 GLU 76 1HB GLU 76 3.705 9.478 -1.201 578 HG2 GLU 76 2HG GLU 76 1.353 9.665 -0.776 579 HG3 GLU 76 1HG GLU 76 1.618 9.675 0.968 580 H PHE 77 H PHE 77 4.895 7.752 2.056 581 HA PHE 77 HA PHE 77 3.058 6.437 3.876 582 HB2 PHE 77 2HB PHE 77 5.353 5.735 3.976 583 HB3 PHE 77 1HB PHE 77 5.911 7.391 4.181 584 HD1 PHE 77 HD2 PHE 77 3.646 4.922 5.850 585 HD2 PHE 77 HD1 PHE 77 6.461 8.088 6.311 586 HE1 PHE 77 HE2 PHE 77 3.545 4.660 8.292 587 HE2 PHE 77 HE1 PHE 77 6.361 7.825 8.754 588 HZ PHE 77 HZ PHE 77 4.901 6.109 9.747 589 H LEU 78 H LEU 78 1.739 7.429 5.269 590 HA LEU 78 HA LEU 78 2.066 10.315 5.735 591 HB2 LEU 78 2HB LEU 78 -0.285 8.515 6.351 592 HB3 LEU 78 1HB LEU 78 -0.251 10.258 6.543 593 HG LEU 78 HG LEU 78 -0.065 8.767 3.915 594 HD11 LEU 78 1HD1 LEU 78 -2.297 10.405 5.117 595 HD12 LEU 78 2HD1 LEU 78 -2.293 8.657 4.869 596 HD13 LEU 78 3HD1 LEU 78 -2.274 9.743 3.482 597 HD21 LEU 78 3HD2 LEU 78 -0.236 10.980 2.877 598 HD22 LEU 78 1HD2 LEU 78 1.223 10.838 3.856 599 HD23 LEU 78 2HD2 LEU 78 -0.165 11.737 4.470 600 H GLY 79 H GLY 79 0.885 7.591 7.739 601 HA2 GLY 79 2HA GLY 79 2.811 7.879 9.792 602 HA3 GLY 79 1HA GLY 79 1.377 8.805 10.214 603 HA PRO 80 HA PRO 80 0.855 4.306 11.537 604 HB2 PRO 80 2HB PRO 80 0.655 5.351 14.269 605 HB3 PRO 80 1HB PRO 80 1.734 4.113 13.621 606 HG2 PRO 80 2HG PRO 80 2.627 6.548 14.390 607 HG3 PRO 80 1HG PRO 80 3.370 5.641 13.059 608 HD2 PRO 80 2HD PRO 80 1.397 7.907 12.940 609 HD3 PRO 80 1HD PRO 80 2.867 7.641 11.971 610 H LEU 81 H LEU 81 -1.028 3.354 12.691 611 HA LEU 81 HA LEU 81 -3.337 5.183 12.831 612 HB2 LEU 81 2HB LEU 81 -4.723 3.315 11.856 613 HB3 LEU 81 1HB LEU 81 -3.618 4.117 10.761 614 HG LEU 81 HG LEU 81 -2.011 2.137 11.298 615 HD11 LEU 81 1HD1 LEU 81 -4.654 0.907 12.068 616 HD12 LEU 81 2HD1 LEU 81 -3.265 1.155 13.126 617 HD13 LEU 81 3HD1 LEU 81 -3.155 0.026 11.778 618 HD21 LEU 81 3HD2 LEU 81 -2.969 0.834 9.469 619 HD22 LEU 81 1HD2 LEU 81 -2.997 2.561 9.115 620 HD23 LEU 81 2HD2 LEU 81 -4.478 1.738 9.608 621 H GLU 82 H GLU 82 -5.036 4.619 14.249 622 HA GLU 82 HA GLU 82 -4.170 3.103 16.564 623 HB2 GLU 82 2HB GLU 82 -6.401 3.926 17.521 624 HB3 GLU 82 1HB GLU 82 -5.178 5.134 17.160 625 HG2 GLU 82 2HG GLU 82 -6.323 5.721 15.097 626 HG3 GLU 82 1HG GLU 82 -7.524 4.465 15.389 Start of MODEL 10 1 H1 MET 1 1H MET 1 -16.177 0.159 13.486 2 H2 MET 1 2H MET 1 -15.687 -1.014 12.376 3 H3 MET 1 3H MET 1 -16.554 0.334 11.844 4 HA MET 1 HA MET 1 -14.216 0.542 11.294 5 HB2 MET 1 2HB MET 1 -15.146 2.443 13.464 6 HB3 MET 1 1HB MET 1 -13.804 2.753 12.371 7 HG2 MET 1 2HG MET 1 -16.701 2.427 11.615 8 HG3 MET 1 1HG MET 1 -15.768 3.923 11.614 9 HE1 MET 1 3HE MET 1 -16.511 4.434 9.137 10 HE2 MET 1 1HE MET 1 -17.462 2.949 9.081 11 HE3 MET 1 2HE MET 1 -16.312 3.309 7.791 12 H ALA 2 H ALA 2 -12.011 0.945 12.081 13 HA ALA 2 HA ALA 2 -11.273 0.244 14.763 14 HB1 ALA 2 3HB ALA 2 -10.110 -1.851 14.258 15 HB2 ALA 2 1HB ALA 2 -10.703 -1.788 12.598 16 HB3 ALA 2 2HB ALA 2 -11.838 -1.990 13.933 17 H GLY 3 H GLY 3 -9.060 0.604 15.200 18 HA2 GLY 3 2HA GLY 3 -7.472 1.708 12.946 19 HA3 GLY 3 1HA GLY 3 -7.443 2.384 14.567 20 HA PRO 4 HA PRO 4 -5.039 -1.874 14.537 21 HB2 PRO 4 2HB PRO 4 -3.796 -2.456 12.192 22 HB3 PRO 4 1HB PRO 4 -5.443 -2.985 12.561 23 HG2 PRO 4 2HG PRO 4 -4.534 -0.623 10.944 24 HG3 PRO 4 1HG PRO 4 -5.792 -1.815 10.563 25 HD2 PRO 4 2HD PRO 4 -6.385 0.622 11.566 26 HD3 PRO 4 1HD PRO 4 -7.339 -0.820 11.971 27 H GLU 5 H GLU 5 -2.643 -2.411 14.275 28 HA GLU 5 HA GLU 5 -1.097 -0.146 15.134 29 HB2 GLU 5 2HB GLU 5 -0.313 -3.024 14.620 30 HB3 GLU 5 1HB GLU 5 0.699 -1.833 15.419 31 HG2 GLU 5 2HG GLU 5 -2.010 -2.524 16.504 32 HG3 GLU 5 1HG GLU 5 -0.608 -3.535 16.846 33 H GLY 6 H GLY 6 -1.928 -0.589 12.123 34 HA2 GLY 6 2HA GLY 6 0.689 -0.896 10.857 35 HA3 GLY 6 1HA GLY 6 -0.864 -0.888 10.043 36 H PHE 7 H PHE 7 0.455 0.465 8.555 37 HA PHE 7 HA PHE 7 0.380 3.309 9.368 38 HB2 PHE 7 2HB PHE 7 2.203 1.982 7.344 39 HB3 PHE 7 1HB PHE 7 2.172 3.701 7.709 40 HD1 PHE 7 HD1 PHE 7 2.548 4.296 10.251 41 HD2 PHE 7 HD2 PHE 7 3.770 0.654 8.406 42 HE1 PHE 7 HE1 PHE 7 4.229 3.966 12.018 43 HE2 PHE 7 HE2 PHE 7 5.444 0.320 10.176 44 HZ PHE 7 HZ PHE 7 5.675 1.976 11.984 45 H GLN 8 H GLN 8 -0.467 4.806 7.910 46 HA GLN 8 HA GLN 8 -2.177 3.726 5.801 47 HB2 GLN 8 2HB GLN 8 -1.933 6.545 6.884 48 HB3 GLN 8 1HB GLN 8 -3.117 6.011 5.699 49 HG2 GLN 8 2HG GLN 8 -4.042 4.452 7.375 50 HG3 GLN 8 1HG GLN 8 -2.904 5.090 8.561 51 HE21 GLN 8 1HE2 GLN 8 -3.200 7.214 9.326 52 HE22 GLN 8 2HE2 GLN 8 -4.705 8.039 9.143 53 H TYR 9 H TYR 9 -1.774 3.923 3.672 54 HA TYR 9 HA TYR 9 0.403 5.714 2.777 55 HB2 TYR 9 2HB TYR 9 -0.481 3.043 1.648 56 HB3 TYR 9 1HB TYR 9 0.680 4.110 0.864 57 HD1 TYR 9 HD1 TYR 9 0.109 1.930 3.799 58 HD2 TYR 9 HD2 TYR 9 2.950 4.241 1.622 59 HE1 TYR 9 HE1 TYR 9 1.932 0.897 5.088 60 HE2 TYR 9 HE2 TYR 9 4.775 3.206 2.901 61 HH TYR 9 HH TYR 9 5.186 2.056 4.933 62 H ARG 10 H ARG 10 -0.005 7.081 1.046 63 HA ARG 10 HA ARG 10 -2.808 7.143 0.114 64 HB2 ARG 10 2HB ARG 10 -2.110 9.144 1.340 65 HB3 ARG 10 1HB ARG 10 -0.771 9.379 0.222 66 HG2 ARG 10 2HG ARG 10 -2.391 9.690 -1.618 67 HG3 ARG 10 1HG ARG 10 -3.708 9.528 -0.455 68 HD2 ARG 10 2HD ARG 10 -1.558 11.651 -0.386 69 HD3 ARG 10 1HD ARG 10 -3.200 11.880 -0.990 70 HE ARG 10 HE ARG 10 -3.238 10.916 1.676 71 HH11 ARG 10 1HH1 ARG 10 -2.695 13.760 -0.189 72 HH12 ARG 10 2HH1 ARG 10 -3.093 14.820 1.119 73 HH21 ARG 10 1HH2 ARG 10 -3.751 12.297 3.342 74 HH22 ARG 10 2HH2 ARG 10 -3.665 14.007 3.090 75 H ALA 11 H ALA 11 -3.244 6.711 -1.954 76 HA ALA 11 HA ALA 11 -1.131 6.397 -3.919 77 HB1 ALA 11 3HB ALA 11 -3.008 4.829 -3.877 78 HB2 ALA 11 1HB ALA 11 -2.932 5.679 -5.421 79 HB3 ALA 11 2HB ALA 11 -4.132 6.147 -4.214 80 H LEU 12 H LEU 12 -0.509 7.893 -5.392 81 HA LEU 12 HA LEU 12 -1.409 10.580 -5.153 82 HB2 LEU 12 2HB LEU 12 0.284 9.368 -7.344 83 HB3 LEU 12 1HB LEU 12 0.172 11.071 -6.940 84 HG LEU 12 HG LEU 12 1.381 8.901 -5.208 85 HD11 LEU 12 1HD1 LEU 12 3.483 10.081 -5.593 86 HD12 LEU 12 2HD1 LEU 12 2.658 11.219 -6.661 87 HD13 LEU 12 3HD1 LEU 12 2.779 9.515 -7.108 88 HD21 LEU 12 3HD2 LEU 12 0.280 10.566 -3.823 89 HD22 LEU 12 1HD2 LEU 12 1.104 11.864 -4.688 90 HD23 LEU 12 2HD2 LEU 12 2.031 10.731 -3.704 91 H TYR 13 H TYR 13 -1.513 8.440 -8.001 92 HA TYR 13 HA TYR 13 -3.901 9.895 -8.980 93 HB2 TYR 13 2HB TYR 13 -1.712 8.542 -10.595 94 HB3 TYR 13 1HB TYR 13 -3.129 9.339 -11.268 95 HD1 TYR 13 HD1 TYR 13 -3.317 11.791 -11.225 96 HD2 TYR 13 HD2 TYR 13 0.166 9.819 -9.771 97 HE1 TYR 13 HE1 TYR 13 -2.080 13.911 -11.323 98 HE2 TYR 13 HE2 TYR 13 1.409 11.937 -9.864 99 HH TYR 13 HH TYR 13 -0.134 14.955 -10.340 100 HA PRO 14 HA PRO 14 -5.815 5.811 -9.400 101 HB2 PRO 14 2HB PRO 14 -6.999 5.868 -11.860 102 HB3 PRO 14 1HB PRO 14 -7.668 6.689 -10.443 103 HG2 PRO 14 2HG PRO 14 -6.068 7.816 -12.713 104 HG3 PRO 14 1HG PRO 14 -7.475 8.506 -11.882 105 HD2 PRO 14 2HD PRO 14 -4.918 9.292 -11.373 106 HD3 PRO 14 1HD PRO 14 -6.202 9.336 -10.150 107 H PHE 15 H PHE 15 -4.531 4.063 -9.660 108 HA PHE 15 HA PHE 15 -2.905 3.870 -12.113 109 HB2 PHE 15 2HB PHE 15 -2.313 2.854 -9.328 110 HB3 PHE 15 1HB PHE 15 -1.365 2.415 -10.748 111 HD1 PHE 15 HD2 PHE 15 -0.294 4.312 -12.090 112 HD2 PHE 15 HD1 PHE 15 -1.833 4.826 -8.150 113 HE1 PHE 15 HE2 PHE 15 1.062 6.348 -11.828 114 HE2 PHE 15 HE1 PHE 15 -0.485 6.867 -7.887 115 HZ PHE 15 HZ PHE 15 0.968 7.631 -9.725 116 H ARG 16 H ARG 16 -3.350 2.341 -13.467 117 HA ARG 16 HA ARG 16 -5.341 0.327 -12.875 118 HB2 ARG 16 2HB ARG 16 -5.124 -0.186 -15.306 119 HB3 ARG 16 1HB ARG 16 -5.476 1.507 -14.978 120 HG2 ARG 16 2HG ARG 16 -3.020 1.972 -15.219 121 HG3 ARG 16 1HG ARG 16 -2.826 0.307 -15.772 122 HD2 ARG 16 2HD ARG 16 -2.980 1.833 -17.663 123 HD3 ARG 16 1HD ARG 16 -4.372 0.748 -17.627 124 HE ARG 16 HE ARG 16 -5.573 2.692 -16.555 125 HH11 ARG 16 1HH1 ARG 16 -2.875 3.198 -18.629 126 HH12 ARG 16 2HH1 ARG 16 -3.452 4.724 -19.195 127 HH21 ARG 16 1HH2 ARG 16 -6.292 4.662 -17.247 128 HH22 ARG 16 2HH2 ARG 16 -5.364 5.558 -18.400 129 H ARG 17 H ARG 17 -5.072 -1.948 -13.230 130 HA ARG 17 HA ARG 17 -2.283 -2.905 -12.955 131 HB2 ARG 17 2HB ARG 17 -4.838 -4.006 -11.769 132 HB3 ARG 17 1HB ARG 17 -3.322 -4.896 -11.772 133 HG2 ARG 17 2HG ARG 17 -3.780 -2.218 -10.451 134 HG3 ARG 17 1HG ARG 17 -3.731 -3.781 -9.629 135 HD2 ARG 17 2HD ARG 17 -1.457 -2.526 -11.182 136 HD3 ARG 17 1HD ARG 17 -1.598 -2.575 -9.425 137 HE ARG 17 HE ARG 17 -1.660 -5.151 -9.932 138 HH11 ARG 17 1HH1 ARG 17 0.355 -2.768 -11.376 139 HH12 ARG 17 2HH1 ARG 17 1.642 -3.882 -11.679 140 HH21 ARG 17 1HH2 ARG 17 -0.014 -6.581 -10.324 141 HH22 ARG 17 2HH2 ARG 17 1.423 -6.028 -11.120 142 H GLU 18 H GLU 18 -1.749 -4.945 -13.924 143 HA GLU 18 HA GLU 18 -2.790 -5.293 -16.537 144 HB2 GLU 18 2HB GLU 18 -1.004 -7.105 -14.895 145 HB3 GLU 18 1HB GLU 18 -1.318 -7.298 -16.614 146 HG2 GLU 18 2HG GLU 18 -0.307 -5.090 -17.024 147 HG3 GLU 18 1HG GLU 18 0.051 -4.956 -15.303 148 H ARG 19 H ARG 19 -3.255 -7.116 -13.523 149 HA ARG 19 HA ARG 19 -5.400 -8.659 -14.845 150 HB2 ARG 19 2HB ARG 19 -3.579 -9.616 -12.617 151 HB3 ARG 19 1HB ARG 19 -4.843 -10.555 -13.402 152 HG2 ARG 19 2HG ARG 19 -3.600 -10.381 -15.538 153 HG3 ARG 19 1HG ARG 19 -2.312 -9.529 -14.686 154 HD2 ARG 19 2HD ARG 19 -1.736 -11.874 -14.942 155 HD3 ARG 19 1HD ARG 19 -1.989 -11.492 -13.239 156 HE ARG 19 HE ARG 19 -4.014 -12.705 -13.288 157 HH11 ARG 19 1HH1 ARG 19 -2.316 -12.875 -16.286 158 HH12 ARG 19 2HH1 ARG 19 -3.200 -14.265 -16.820 159 HH21 ARG 19 1HH2 ARG 19 -5.121 -14.485 -13.989 160 HH22 ARG 19 2HH2 ARG 19 -4.750 -15.169 -15.539 161 HA PRO 20 HA PRO 20 -8.129 -7.067 -11.704 162 HB2 PRO 20 2HB PRO 20 -9.687 -9.561 -11.902 163 HB3 PRO 20 1HB PRO 20 -10.150 -7.916 -12.346 164 HG2 PRO 20 2HG PRO 20 -9.687 -9.806 -14.205 165 HG3 PRO 20 1HG PRO 20 -9.276 -8.102 -14.479 166 HD2 PRO 20 2HD PRO 20 -7.482 -10.382 -13.688 167 HD3 PRO 20 1HD PRO 20 -7.207 -9.097 -14.889 168 H GLU 21 H GLU 21 -6.185 -9.738 -11.245 169 HA GLU 21 HA GLU 21 -7.191 -10.637 -8.693 170 HB2 GLU 21 2HB GLU 21 -4.599 -11.193 -10.156 171 HB3 GLU 21 1HB GLU 21 -5.096 -11.994 -8.670 172 HG2 GLU 21 2HG GLU 21 -6.885 -13.095 -9.728 173 HG3 GLU 21 1HG GLU 21 -6.797 -12.051 -11.145 174 H ASP 22 H ASP 22 -5.191 -8.107 -9.777 175 HA ASP 22 HA ASP 22 -3.739 -7.754 -7.289 176 HB2 ASP 22 2HB ASP 22 -3.927 -6.010 -9.757 177 HB3 ASP 22 1HB ASP 22 -2.796 -5.779 -8.426 178 H LEU 23 H LEU 23 -3.752 -5.010 -6.955 179 HA LEU 23 HA LEU 23 -6.586 -4.288 -6.506 180 HB2 LEU 23 2HB LEU 23 -5.403 -4.861 -4.398 181 HB3 LEU 23 1HB LEU 23 -4.237 -3.594 -4.729 182 HG LEU 23 HG LEU 23 -6.091 -1.920 -4.605 183 HD11 LEU 23 1HD1 LEU 23 -7.725 -4.270 -3.636 184 HD12 LEU 23 2HD1 LEU 23 -7.959 -3.396 -5.152 185 HD13 LEU 23 3HD1 LEU 23 -8.225 -2.576 -3.612 186 HD21 LEU 23 3HD2 LEU 23 -6.291 -1.962 -2.171 187 HD22 LEU 23 1HD2 LEU 23 -4.646 -2.347 -2.678 188 HD23 LEU 23 2HD2 LEU 23 -5.729 -3.635 -2.144 189 H GLU 24 H GLU 24 -7.195 -2.500 -7.554 190 HA GLU 24 HA GLU 24 -5.309 -0.829 -8.930 191 HB2 GLU 24 2HB GLU 24 -8.310 -0.622 -8.589 192 HB3 GLU 24 1HB GLU 24 -7.365 0.484 -9.573 193 HG2 GLU 24 2HG GLU 24 -8.352 -1.096 -11.031 194 HG3 GLU 24 1HG GLU 24 -6.634 -1.470 -10.945 195 H LEU 25 H LEU 25 -5.114 1.483 -8.688 196 HA LEU 25 HA LEU 25 -5.515 2.400 -5.902 197 HB2 LEU 25 2HB LEU 25 -3.445 3.253 -7.938 198 HB3 LEU 25 1HB LEU 25 -3.623 3.951 -6.338 199 HG LEU 25 HG LEU 25 -2.888 1.072 -6.916 200 HD11 LEU 25 1HD1 LEU 25 -1.186 3.358 -5.914 201 HD12 LEU 25 2HD1 LEU 25 -1.086 2.602 -7.505 202 HD13 LEU 25 3HD1 LEU 25 -0.677 1.673 -6.063 203 HD21 LEU 25 3HD2 LEU 25 -3.059 2.572 -4.300 204 HD22 LEU 25 1HD2 LEU 25 -2.445 0.932 -4.506 205 HD23 LEU 25 2HD2 LEU 25 -4.140 1.286 -4.838 206 H LEU 26 H LEU 26 -6.413 4.414 -5.509 207 HA LEU 26 HA LEU 26 -7.567 5.828 -7.837 208 HB2 LEU 26 2HB LEU 26 -8.652 5.309 -5.076 209 HB3 LEU 26 1HB LEU 26 -9.237 6.670 -6.011 210 HG LEU 26 HG LEU 26 -10.758 4.784 -6.214 211 HD11 LEU 26 1HD1 LEU 26 -10.893 4.631 -8.638 212 HD12 LEU 26 2HD1 LEU 26 -9.245 5.241 -8.784 213 HD13 LEU 26 3HD1 LEU 26 -10.514 6.278 -8.134 214 HD21 LEU 26 3HD2 LEU 26 -10.121 2.690 -7.245 215 HD22 LEU 26 1HD2 LEU 26 -9.127 2.979 -5.819 216 HD23 LEU 26 2HD2 LEU 26 -8.460 3.250 -7.430 217 HA PRO 27 HA PRO 27 -5.320 9.473 -6.886 218 HB2 PRO 27 2HB PRO 27 -7.166 11.474 -7.254 219 HB3 PRO 27 1HB PRO 27 -6.379 10.601 -8.573 220 HG2 PRO 27 2HG PRO 27 -9.086 10.155 -7.359 221 HG3 PRO 27 1HG PRO 27 -8.616 10.172 -9.071 222 HD2 PRO 27 2HD PRO 27 -8.991 7.867 -7.740 223 HD3 PRO 27 1HD PRO 27 -7.725 8.026 -8.977 224 H GLY 28 H GLY 28 -4.634 9.998 -4.911 225 HA2 GLY 28 2HA GLY 28 -4.580 10.883 -2.791 226 HA3 GLY 28 1HA GLY 28 -6.136 11.621 -3.130 227 H ASP 29 H ASP 29 -5.894 8.166 -3.409 228 HA ASP 29 HA ASP 29 -7.811 7.910 -1.236 229 HB2 ASP 29 2HB ASP 29 -7.853 6.737 -3.591 230 HB3 ASP 29 1HB ASP 29 -6.801 5.560 -2.808 231 H VAL 30 H VAL 30 -7.595 6.263 0.442 232 HA VAL 30 HA VAL 30 -4.801 6.101 1.382 233 HB VAL 30 HB VAL 30 -7.344 6.063 3.024 234 HG11 VAL 30 1HG1 VAL 30 -5.545 4.799 4.087 235 HG12 VAL 30 2HG1 VAL 30 -5.843 6.301 4.960 236 HG13 VAL 30 3HG1 VAL 30 -4.445 6.165 3.891 237 HG21 VAL 30 3HG2 VAL 30 -6.691 8.309 3.751 238 HG22 VAL 30 1HG2 VAL 30 -6.944 8.253 2.007 239 HG23 VAL 30 2HG2 VAL 30 -5.305 8.269 2.661 240 H LEU 31 H LEU 31 -3.887 4.171 1.663 241 HA LEU 31 HA LEU 31 -5.587 1.785 2.011 242 HB2 LEU 31 2HB LEU 31 -2.944 1.926 0.539 243 HB3 LEU 31 1HB LEU 31 -3.871 0.468 0.833 244 HG LEU 31 HG LEU 31 -5.759 1.689 -0.495 245 HD11 LEU 31 1HD1 LEU 31 -4.955 3.221 -2.212 246 HD12 LEU 31 2HD1 LEU 31 -3.343 3.194 -1.497 247 HD13 LEU 31 3HD1 LEU 31 -4.696 3.882 -0.598 248 HD21 LEU 31 3HD2 LEU 31 -4.894 0.790 -2.600 249 HD22 LEU 31 1HD2 LEU 31 -4.632 -0.328 -1.262 250 HD23 LEU 31 2HD2 LEU 31 -3.290 0.638 -1.879 251 H VAL 32 H VAL 32 -5.270 0.784 3.904 252 HA VAL 32 HA VAL 32 -3.000 1.602 5.568 253 HB VAL 32 HB VAL 32 -5.454 0.004 6.332 254 HG11 VAL 32 1HG1 VAL 32 -3.544 -0.382 7.823 255 HG12 VAL 32 2HG1 VAL 32 -4.824 0.513 8.640 256 HG13 VAL 32 3HG1 VAL 32 -3.384 1.359 8.072 257 HG21 VAL 32 3HG2 VAL 32 -6.066 2.247 5.596 258 HG22 VAL 32 1HG2 VAL 32 -4.864 2.953 6.677 259 HG23 VAL 32 2HG2 VAL 32 -6.259 2.105 7.342 260 H VAL 33 H VAL 33 -1.258 0.341 5.854 261 HA VAL 33 HA VAL 33 -1.505 -2.577 5.410 262 HB VAL 33 HB VAL 33 0.980 -0.865 5.123 263 HG11 VAL 33 1HG1 VAL 33 0.548 -3.802 4.543 264 HG12 VAL 33 2HG1 VAL 33 1.517 -3.129 5.853 265 HG13 VAL 33 3HG1 VAL 33 2.012 -2.890 4.177 266 HG21 VAL 33 3HG2 VAL 33 -0.638 -0.440 3.332 267 HG22 VAL 33 1HG2 VAL 33 -0.722 -2.169 2.990 268 HG23 VAL 33 2HG2 VAL 33 0.780 -1.287 2.718 269 H SER 34 H SER 34 -1.412 -3.745 7.221 270 HA SER 34 HA SER 34 -0.650 -2.707 9.752 271 HB2 SER 34 2HB SER 34 -1.080 -5.587 8.904 272 HB3 SER 34 1HB SER 34 -0.996 -5.012 10.568 273 HG SER 34 HG SER 34 -3.159 -5.235 9.797 274 H ARG 35 H ARG 35 1.196 -3.039 11.028 275 HA ARG 35 HA ARG 35 3.662 -3.330 9.702 276 HB2 ARG 35 2HB ARG 35 3.083 -3.576 12.667 277 HB3 ARG 35 1HB ARG 35 4.692 -3.446 11.966 278 HG2 ARG 35 2HG ARG 35 3.823 -1.249 10.920 279 HG3 ARG 35 1HG ARG 35 2.531 -1.373 12.113 280 HD2 ARG 35 2HD ARG 35 5.496 -1.276 12.694 281 HD3 ARG 35 1HD ARG 35 4.351 0.042 12.926 282 HE ARG 35 HE ARG 35 3.424 -2.099 14.425 283 HH11 ARG 35 1HH1 ARG 35 6.188 -0.039 14.330 284 HH12 ARG 35 2HH1 ARG 35 6.487 -0.179 16.029 285 HH21 ARG 35 1HH2 ARG 35 3.844 -2.290 16.596 286 HH22 ARG 35 2HH2 ARG 35 5.172 -1.429 17.293 287 H ALA 36 H ALA 36 1.657 -5.692 11.353 288 HA ALA 36 HA ALA 36 3.372 -7.882 11.419 289 HB1 ALA 36 3HB ALA 36 0.416 -7.892 10.786 290 HB2 ALA 36 1HB ALA 36 1.120 -7.863 12.403 291 HB3 ALA 36 2HB ALA 36 1.363 -9.265 11.362 292 H ALA 37 H ALA 37 1.320 -6.739 8.745 293 HA ALA 37 HA ALA 37 2.016 -8.718 6.869 294 HB1 ALA 37 3HB ALA 37 1.124 -7.191 5.183 295 HB2 ALA 37 1HB ALA 37 1.142 -5.874 6.356 296 HB3 ALA 37 2HB ALA 37 0.073 -7.255 6.598 297 H LEU 38 H LEU 38 3.440 -5.529 7.547 298 HA LEU 38 HA LEU 38 5.399 -5.478 5.562 299 HB2 LEU 38 2HB LEU 38 5.551 -4.430 8.393 300 HB3 LEU 38 1HB LEU 38 6.680 -4.014 7.118 301 HG LEU 38 HG LEU 38 3.723 -3.369 7.108 302 HD11 LEU 38 1HD1 LEU 38 4.951 -2.064 8.767 303 HD12 LEU 38 2HD1 LEU 38 4.426 -1.054 7.419 304 HD13 LEU 38 3HD1 LEU 38 6.110 -1.569 7.532 305 HD21 LEU 38 3HD2 LEU 38 5.910 -2.582 5.176 306 HD22 LEU 38 1HD2 LEU 38 4.237 -2.023 5.128 307 HD23 LEU 38 2HD2 LEU 38 4.606 -3.726 4.855 308 H GLN 39 H GLN 39 5.596 -6.854 8.850 309 HA GLN 39 HA GLN 39 8.211 -7.874 8.657 310 HB2 GLN 39 2HB GLN 39 5.851 -8.799 10.309 311 HB3 GLN 39 1HB GLN 39 7.477 -9.450 10.484 312 HG2 GLN 39 2HG GLN 39 8.295 -7.186 11.032 313 HG3 GLN 39 1HG GLN 39 6.639 -6.590 10.934 314 HE21 GLN 39 1HE2 GLN 39 5.183 -7.147 12.557 315 HE22 GLN 39 2HE2 GLN 39 5.694 -7.813 14.064 316 H ALA 40 H ALA 40 5.083 -9.348 7.808 317 HA ALA 40 HA ALA 40 6.002 -11.882 7.036 318 HB1 ALA 40 3HB ALA 40 3.629 -11.367 7.257 319 HB2 ALA 40 1HB ALA 40 3.969 -12.008 5.651 320 HB3 ALA 40 2HB ALA 40 3.715 -10.278 5.873 321 H LEU 41 H LEU 41 5.711 -8.892 5.124 322 HA LEU 41 HA LEU 41 6.808 -9.907 2.713 323 HB2 LEU 41 2HB LEU 41 6.808 -7.080 3.792 324 HB3 LEU 41 1HB LEU 41 7.193 -7.527 2.141 325 HG LEU 41 HG LEU 41 4.500 -7.948 3.457 326 HD11 LEU 41 1HD1 LEU 41 3.736 -6.116 2.025 327 HD12 LEU 41 2HD1 LEU 41 5.388 -5.865 1.458 328 HD13 LEU 41 3HD1 LEU 41 4.982 -5.577 3.150 329 HD21 LEU 41 3HD2 LEU 41 4.969 -9.593 1.713 330 HD22 LEU 41 1HD2 LEU 41 5.387 -8.300 0.588 331 HD23 LEU 41 2HD2 LEU 41 3.733 -8.452 1.181 332 H GLY 42 H GLY 42 8.260 -8.765 5.670 333 HA2 GLY 42 2HA GLY 42 10.496 -9.257 6.309 334 HA3 GLY 42 1HA GLY 42 10.933 -9.395 4.614 335 H VAL 43 H VAL 43 9.073 -6.692 5.787 336 HA VAL 43 HA VAL 43 11.227 -4.867 5.045 337 HB VAL 43 HB VAL 43 8.392 -4.223 5.899 338 HG11 VAL 43 1HG1 VAL 43 10.500 -2.519 4.563 339 HG12 VAL 43 2HG1 VAL 43 9.885 -2.337 6.205 340 HG13 VAL 43 3HG1 VAL 43 8.825 -2.039 4.830 341 HG21 VAL 43 3HG2 VAL 43 9.547 -4.508 3.119 342 HG22 VAL 43 1HG2 VAL 43 7.933 -3.903 3.496 343 HG23 VAL 43 2HG2 VAL 43 8.360 -5.571 3.877 344 H ALA 44 H ALA 44 12.612 -4.157 6.533 345 HA ALA 44 HA ALA 44 12.102 -4.436 9.362 346 HB1 ALA 44 3HB ALA 44 14.449 -3.225 7.897 347 HB2 ALA 44 1HB ALA 44 14.316 -4.893 8.456 348 HB3 ALA 44 2HB ALA 44 14.384 -3.574 9.626 349 H GLU 45 H GLU 45 12.036 -2.761 10.910 350 HA GLU 45 HA GLU 45 10.546 -0.483 10.273 351 HB2 GLU 45 2HB GLU 45 10.639 -1.442 12.537 352 HB3 GLU 45 1HB GLU 45 12.315 -0.933 12.691 353 HG2 GLU 45 2HG GLU 45 11.643 1.404 12.563 354 HG3 GLU 45 1HG GLU 45 9.962 0.924 12.333 355 H GLY 46 H GLY 46 11.080 1.364 9.321 356 HA2 GLY 46 2HA GLY 46 12.609 3.283 9.157 357 HA3 GLY 46 1HA GLY 46 13.940 2.137 9.206 358 H GLY 47 H GLY 47 11.752 0.578 7.407 359 HA2 GLY 47 2HA GLY 47 12.775 1.705 4.860 360 HA3 GLY 47 1HA GLY 47 12.336 0.023 5.106 361 H GLU 48 H GLU 48 9.871 0.631 6.522 362 HA GLU 48 HA GLU 48 8.030 0.617 4.426 363 HB2 GLU 48 2HB GLU 48 6.311 0.803 6.109 364 HB3 GLU 48 1HB GLU 48 7.601 -0.217 6.727 365 HG2 GLU 48 2HG GLU 48 7.069 2.663 7.453 366 HG3 GLU 48 1HG GLU 48 6.816 1.247 8.472 367 H ARG 49 H ARG 49 9.528 3.313 5.989 368 HA ARG 49 HA ARG 49 7.736 5.379 5.459 369 HB2 ARG 49 2HB ARG 49 9.632 6.886 5.608 370 HB3 ARG 49 1HB ARG 49 9.785 5.621 6.820 371 HG2 ARG 49 2HG ARG 49 11.401 4.452 5.376 372 HG3 ARG 49 1HG ARG 49 11.265 5.753 4.190 373 HD2 ARG 49 2HD ARG 49 12.039 7.351 5.940 374 HD3 ARG 49 1HD ARG 49 12.292 5.983 7.023 375 HE ARG 49 HE ARG 49 13.683 5.937 4.460 376 HH11 ARG 49 1HH1 ARG 49 13.825 6.436 7.870 377 HH12 ARG 49 2HH1 ARG 49 15.552 6.371 7.911 378 HH21 ARG 49 1HH2 ARG 49 15.899 5.860 4.527 379 HH22 ARG 49 2HH2 ARG 49 16.715 6.046 6.041 380 H CYS 50 H CYS 50 9.654 3.547 3.244 381 HA CYS 50 HA CYS 50 8.595 5.176 1.031 382 HB2 CYS 50 2HB CYS 50 11.412 4.066 1.178 383 HB3 CYS 50 1HB CYS 50 10.702 4.849 -0.230 384 HG CYS 50 HG CYS 50 10.779 7.359 0.664 385 HA PRO 51 HA PRO 51 7.186 0.792 0.587 386 HB2 PRO 51 2HB PRO 51 5.153 1.499 -1.169 387 HB3 PRO 51 1HB PRO 51 4.991 1.411 0.587 388 HG2 PRO 51 2HG PRO 51 5.488 3.794 -1.155 389 HG3 PRO 51 1HG PRO 51 4.421 3.639 0.254 390 HD2 PRO 51 2HD PRO 51 6.795 4.850 0.453 391 HD3 PRO 51 1HD PRO 51 6.187 3.818 1.765 392 H GLN 52 H GLN 52 8.239 3.140 -1.759 393 HA GLN 52 HA GLN 52 8.256 1.624 -4.099 394 HB2 GLN 52 2HB GLN 52 10.104 3.097 -4.843 395 HB3 GLN 52 1HB GLN 52 8.775 3.989 -4.123 396 HG2 GLN 52 2HG GLN 52 10.677 5.029 -3.277 397 HG3 GLN 52 1HG GLN 52 10.154 3.973 -1.967 398 HE21 GLN 52 1HE2 GLN 52 12.209 3.886 -1.046 399 HE22 GLN 52 2HE2 GLN 52 13.514 3.024 -1.771 400 H SER 53 H SER 53 10.179 1.231 -1.257 401 HA SER 53 HA SER 53 12.334 -0.220 -2.505 402 HB2 SER 53 2HB SER 53 12.633 1.037 -0.381 403 HB3 SER 53 1HB SER 53 11.552 -0.097 0.424 404 HG SER 53 HG SER 53 13.157 -1.744 -0.413 405 H VAL 54 H VAL 54 9.155 -1.049 -1.747 406 HA VAL 54 HA VAL 54 9.802 -3.915 -1.465 407 HB VAL 54 HB VAL 54 7.131 -2.573 -0.979 408 HG11 VAL 54 1HG1 VAL 54 8.138 -5.339 -0.295 409 HG12 VAL 54 2HG1 VAL 54 6.922 -4.930 -1.507 410 HG13 VAL 54 3HG1 VAL 54 6.583 -4.670 0.205 411 HG21 VAL 54 3HG2 VAL 54 9.246 -3.369 1.033 412 HG22 VAL 54 1HG2 VAL 54 7.625 -2.792 1.423 413 HG23 VAL 54 2HG2 VAL 54 8.771 -1.722 0.614 414 H GLY 55 H GLY 55 7.937 -1.615 -3.405 415 HA2 GLY 55 2HA GLY 55 7.500 -1.876 -5.719 416 HA3 GLY 55 1HA GLY 55 7.752 -3.610 -5.555 417 H TRP 56 H TRP 56 6.056 -4.847 -4.444 418 HA TRP 56 HA TRP 56 3.392 -3.580 -4.610 419 HB2 TRP 56 2HB TRP 56 2.692 -6.127 -5.015 420 HB3 TRP 56 1HB TRP 56 3.154 -5.063 -6.334 421 HD1 TRP 56 HD1 TRP 56 5.024 -7.558 -3.988 422 HE1 TRP 56 HE1 TRP 56 6.737 -8.837 -5.424 423 HE3 TRP 56 HE3 TRP 56 4.173 -5.285 -8.487 424 HZ2 TRP 56 HZ2 TRP 56 7.598 -8.888 -8.106 425 HZ3 TRP 56 HZ3 TRP 56 5.485 -6.010 -10.441 426 HH2 TRP 56 HH2 TRP 56 7.163 -7.775 -10.252 427 H MET 57 H MET 57 1.941 -3.960 -2.977 428 HA MET 57 HA MET 57 2.839 -5.484 -0.628 429 HB2 MET 57 2HB MET 57 2.055 -2.554 -0.591 430 HB3 MET 57 1HB MET 57 2.381 -3.533 0.833 431 HG2 MET 57 2HG MET 57 4.673 -3.704 0.313 432 HG3 MET 57 1HG MET 57 4.426 -3.101 -1.325 433 HE1 MET 57 3HE MET 57 4.313 -2.176 2.496 434 HE2 MET 57 1HE MET 57 2.747 -1.601 1.921 435 HE3 MET 57 2HE MET 57 3.979 -0.445 2.430 436 HA PRO 58 HA PRO 58 -1.629 -6.147 -0.387 437 HB2 PRO 58 2HB PRO 58 -1.696 -7.728 1.781 438 HB3 PRO 58 1HB PRO 58 -1.039 -8.300 0.241 439 HG2 PRO 58 2HG PRO 58 0.413 -7.337 2.678 440 HG3 PRO 58 1HG PRO 58 0.792 -8.704 1.616 441 HD2 PRO 58 2HD PRO 58 2.009 -6.223 1.473 442 HD3 PRO 58 1HD PRO 58 1.925 -7.379 0.129 443 H GLY 59 H GLY 59 -2.915 -4.485 0.271 444 HA2 GLY 59 2HA GLY 59 -2.835 -3.687 3.106 445 HA3 GLY 59 1HA GLY 59 -2.618 -2.443 1.886 446 H LEU 60 H LEU 60 -4.596 -2.044 3.598 447 HA LEU 60 HA LEU 60 -7.108 -3.069 2.483 448 HB2 LEU 60 2HB LEU 60 -6.710 -3.120 4.937 449 HB3 LEU 60 1HB LEU 60 -6.603 -1.371 4.936 450 HG LEU 60 HG LEU 60 -8.976 -1.297 4.102 451 HD11 LEU 60 1HD1 LEU 60 -10.351 -3.288 4.338 452 HD12 LEU 60 2HD1 LEU 60 -8.931 -4.238 4.776 453 HD13 LEU 60 3HD1 LEU 60 -9.068 -3.551 3.157 454 HD21 LEU 60 3HD2 LEU 60 -8.445 -0.920 6.452 455 HD22 LEU 60 1HD2 LEU 60 -8.511 -2.655 6.760 456 HD23 LEU 60 2HD2 LEU 60 -9.971 -1.786 6.287 457 H ASN 61 H ASN 61 -7.853 -1.926 0.791 458 HA ASN 61 HA ASN 61 -7.313 0.887 0.451 459 HB2 ASN 61 2HB ASN 61 -7.314 -0.380 -1.550 460 HB3 ASN 61 1HB ASN 61 -8.842 -1.163 -1.154 461 HD21 ASN 61 1HD2 ASN 61 -7.371 1.862 -2.132 462 HD22 ASN 61 2HD2 ASN 61 -8.801 2.549 -2.807 463 H GLU 62 H GLU 62 -8.463 2.457 1.399 464 HA GLU 62 HA GLU 62 -10.892 1.938 2.784 465 HB2 GLU 62 2HB GLU 62 -9.406 4.497 2.194 466 HB3 GLU 62 1HB GLU 62 -10.894 4.459 3.132 467 HG2 GLU 62 2HG GLU 62 -8.375 2.952 3.837 468 HG3 GLU 62 1HG GLU 62 -8.852 4.504 4.524 469 H ARG 63 H ARG 63 -10.274 3.013 -0.473 470 HA ARG 63 HA ARG 63 -12.702 4.305 -1.019 471 HB2 ARG 63 2HB ARG 63 -10.711 4.194 -2.551 472 HB3 ARG 63 1HB ARG 63 -11.162 2.543 -2.938 473 HG2 ARG 63 2HG ARG 63 -11.955 3.898 -4.707 474 HG3 ARG 63 1HG ARG 63 -13.368 3.437 -3.760 475 HD2 ARG 63 2HD ARG 63 -11.915 6.066 -3.424 476 HD3 ARG 63 1HD ARG 63 -13.291 5.847 -4.500 477 HE ARG 63 HE ARG 63 -14.612 5.299 -2.500 478 HH11 ARG 63 1HH1 ARG 63 -11.603 6.913 -2.009 479 HH12 ARG 63 2HH1 ARG 63 -12.135 7.677 -0.548 480 HH21 ARG 63 1HH2 ARG 63 -15.257 6.268 -0.613 481 HH22 ARG 63 2HH2 ARG 63 -14.161 7.298 0.242 482 H THR 64 H THR 64 -11.917 0.881 -0.881 483 HA THR 64 HA THR 64 -14.763 0.204 -1.377 484 HB THR 64 HB THR 64 -13.992 -1.999 -2.179 485 HG1 THR 64 HG1 THR 64 -11.331 -1.033 -2.244 486 HG21 THR 64 3HG2 THR 64 -12.617 0.294 -3.604 487 HG22 THR 64 1HG2 THR 64 -14.301 -0.188 -3.820 488 HG23 THR 64 2HG2 THR 64 -13.002 -1.279 -4.302 489 H ARG 65 H ARG 65 -12.396 0.321 0.967 490 HA ARG 65 HA ARG 65 -12.014 -0.593 3.003 491 HB2 ARG 65 2HB ARG 65 -14.803 -1.758 2.837 492 HB3 ARG 65 1HB ARG 65 -13.850 -1.515 4.290 493 HG2 ARG 65 2HG ARG 65 -15.230 0.527 2.585 494 HG3 ARG 65 1HG ARG 65 -15.437 0.195 4.301 495 HD2 ARG 65 2HD ARG 65 -13.158 1.598 2.929 496 HD3 ARG 65 1HD ARG 65 -14.258 2.243 4.139 497 HE ARG 65 HE ARG 65 -11.817 0.894 4.607 498 HH11 ARG 65 1HH1 ARG 65 -14.998 1.139 5.951 499 HH12 ARG 65 2HH1 ARG 65 -14.430 0.921 7.569 500 HH21 ARG 65 1HH2 ARG 65 -11.119 0.702 6.660 501 HH22 ARG 65 2HH2 ARG 65 -12.258 0.671 7.966 502 H GLN 66 H GLN 66 -11.708 -2.233 0.415 503 HA GLN 66 HA GLN 66 -11.617 -4.922 1.629 504 HB2 GLN 66 2HB GLN 66 -11.767 -4.029 -1.248 505 HB3 GLN 66 1HB GLN 66 -11.302 -5.666 -0.807 506 HG2 GLN 66 2HG GLN 66 -13.914 -4.333 -0.096 507 HG3 GLN 66 1HG GLN 66 -13.675 -5.515 -1.382 508 HE21 GLN 66 1HE2 GLN 66 -15.437 -5.703 0.914 509 HE22 GLN 66 2HE2 GLN 66 -14.947 -7.114 1.783 510 H ARG 67 H ARG 67 -9.786 -6.275 1.236 511 HA ARG 67 HA ARG 67 -7.278 -4.734 1.203 512 HB2 ARG 67 2HB ARG 67 -7.862 -6.184 3.190 513 HB3 ARG 67 1HB ARG 67 -7.704 -7.584 2.137 514 HG2 ARG 67 2HG ARG 67 -5.333 -6.716 1.657 515 HG3 ARG 67 1HG ARG 67 -5.571 -5.684 3.069 516 HD2 ARG 67 2HD ARG 67 -4.456 -7.663 3.810 517 HD3 ARG 67 1HD ARG 67 -6.125 -7.761 4.376 518 HE ARG 67 HE ARG 67 -5.746 -9.039 1.847 519 HH11 ARG 67 1HH1 ARG 67 -5.461 -9.490 5.253 520 HH12 ARG 67 2HH1 ARG 67 -5.520 -11.214 5.126 521 HH21 ARG 67 1HH2 ARG 67 -5.819 -11.222 1.701 522 HH22 ARG 67 2HH2 ARG 67 -5.717 -12.190 3.130 523 H GLY 68 H GLY 68 -5.727 -5.062 -0.328 524 HA2 GLY 68 2HA GLY 68 -5.673 -7.502 -1.916 525 HA3 GLY 68 1HA GLY 68 -6.101 -6.050 -2.809 526 H ASP 69 H ASP 69 -3.931 -7.354 -3.659 527 HA ASP 69 HA ASP 69 -1.545 -6.161 -2.474 528 HB2 ASP 69 2HB ASP 69 -1.620 -8.561 -3.250 529 HB3 ASP 69 1HB ASP 69 -1.748 -7.964 -4.901 530 H PHE 70 H PHE 70 -0.994 -4.156 -3.062 531 HA PHE 70 HA PHE 70 -1.556 -3.244 -5.819 532 HB2 PHE 70 2HB PHE 70 -1.984 -1.014 -4.954 533 HB3 PHE 70 1HB PHE 70 -3.026 -2.167 -4.129 534 HD1 PHE 70 HD1 PHE 70 -2.547 -2.813 -1.782 535 HD2 PHE 70 HD2 PHE 70 -0.349 0.253 -3.764 536 HE1 PHE 70 HE1 PHE 70 -1.733 -1.991 0.387 537 HE2 PHE 70 HE2 PHE 70 0.466 1.074 -1.596 538 HZ PHE 70 HZ PHE 70 -0.224 -0.048 0.485 539 HA PRO 71 HA PRO 71 2.782 -2.295 -6.161 540 HB2 PRO 71 2HB PRO 71 2.073 0.023 -7.847 541 HB3 PRO 71 1HB PRO 71 2.990 -1.429 -8.260 542 HG2 PRO 71 2HG PRO 71 0.501 -1.022 -9.194 543 HG3 PRO 71 1HG PRO 71 1.091 -2.644 -8.784 544 HD2 PRO 71 2HD PRO 71 -0.696 -0.819 -7.198 545 HD3 PRO 71 1HD PRO 71 -0.826 -2.573 -7.461 546 H GLY 72 H GLY 72 3.255 -1.584 -4.068 547 HA2 GLY 72 2HA GLY 72 2.529 0.844 -2.886 548 HA3 GLY 72 1HA GLY 72 3.930 -0.112 -2.438 549 H THR 73 H THR 73 4.900 0.264 -5.330 550 HA THR 73 HA THR 73 6.643 2.428 -4.894 551 HB THR 73 HB THR 73 7.246 0.696 -6.474 552 HG1 THR 73 HG1 THR 73 7.373 3.324 -7.015 553 HG21 THR 73 3HG2 THR 73 4.983 1.724 -8.201 554 HG22 THR 73 1HG2 THR 73 5.010 0.180 -7.348 555 HG23 THR 73 2HG2 THR 73 6.150 0.482 -8.657 556 H TYR 74 H TYR 74 3.357 2.497 -5.854 557 HA TYR 74 HA TYR 74 3.628 5.148 -7.106 558 HB2 TYR 74 2HB TYR 74 1.282 3.240 -7.007 559 HB3 TYR 74 1HB TYR 74 1.240 4.827 -7.760 560 HD1 TYR 74 HD2 TYR 74 3.574 5.067 -9.343 561 HD2 TYR 74 HD1 TYR 74 1.278 1.560 -8.590 562 HE1 TYR 74 HE2 TYR 74 4.360 4.102 -11.464 563 HE2 TYR 74 HE1 TYR 74 2.055 0.590 -10.710 564 HH TYR 74 HH TYR 74 2.925 1.362 -12.872 565 H VAL 75 H VAL 75 3.162 4.006 -4.030 566 HA VAL 75 HA VAL 75 1.274 6.175 -3.337 567 HB VAL 75 HB VAL 75 0.613 4.927 -1.361 568 HG11 VAL 75 1HG1 VAL 75 -0.579 3.080 -2.431 569 HG12 VAL 75 2HG1 VAL 75 0.479 3.202 -3.838 570 HG13 VAL 75 3HG1 VAL 75 -0.615 4.528 -3.439 571 HG21 VAL 75 3HG2 VAL 75 2.709 3.781 -0.869 572 HG22 VAL 75 1HG2 VAL 75 2.514 2.773 -2.303 573 HG23 VAL 75 2HG2 VAL 75 1.381 2.627 -0.961 574 H GLU 76 H GLU 76 1.546 7.117 -1.152 575 HA GLU 76 HA GLU 76 4.401 7.322 -0.412 576 HB2 GLU 76 2HB GLU 76 3.943 9.623 0.317 577 HB3 GLU 76 1HB GLU 76 3.588 9.400 -1.390 578 HG2 GLU 76 2HG GLU 76 1.215 9.296 -0.926 579 HG3 GLU 76 1HG GLU 76 1.521 9.389 0.807 580 H PHE 77 H PHE 77 4.956 7.467 1.767 581 HA PHE 77 HA PHE 77 3.181 6.134 3.605 582 HB2 PHE 77 2HB PHE 77 5.492 5.545 3.721 583 HB3 PHE 77 1HB PHE 77 5.987 7.228 3.846 584 HD1 PHE 77 HD2 PHE 77 3.852 4.762 5.682 585 HD2 PHE 77 HD1 PHE 77 6.606 8.005 5.924 586 HE1 PHE 77 HE2 PHE 77 3.858 4.583 8.132 587 HE2 PHE 77 HE1 PHE 77 6.609 7.825 8.376 588 HZ PHE 77 HZ PHE 77 5.235 6.109 9.484 589 H LEU 78 H LEU 78 1.665 7.140 4.764 590 HA LEU 78 HA LEU 78 1.839 10.002 5.303 591 HB2 LEU 78 2HB LEU 78 -0.343 8.039 6.030 592 HB3 LEU 78 1HB LEU 78 -0.448 9.788 6.119 593 HG LEU 78 HG LEU 78 -0.153 8.176 3.575 594 HD11 LEU 78 1HD1 LEU 78 -2.459 8.897 3.121 595 HD12 LEU 78 2HD1 LEU 78 -2.536 9.629 4.725 596 HD13 LEU 78 3HD1 LEU 78 -2.348 7.883 4.561 597 HD21 LEU 78 3HD2 LEU 78 -0.546 10.294 2.419 598 HD22 LEU 78 1HD2 LEU 78 0.915 10.370 3.402 599 HD23 LEU 78 2HD2 LEU 78 -0.566 11.146 3.963 600 H GLY 79 H GLY 79 0.952 7.194 7.345 601 HA2 GLY 79 2HA GLY 79 2.879 7.373 9.297 602 HA3 GLY 79 1HA GLY 79 1.671 8.560 9.765 603 HA PRO 80 HA PRO 80 0.444 4.265 11.323 604 HB2 PRO 80 2HB PRO 80 0.759 4.654 13.976 605 HB3 PRO 80 1HB PRO 80 2.102 4.170 12.934 606 HG2 PRO 80 2HG PRO 80 1.400 6.897 13.971 607 HG3 PRO 80 1HG PRO 80 2.986 6.104 13.889 608 HD2 PRO 80 2HD PRO 80 2.137 7.936 12.049 609 HD3 PRO 80 1HD PRO 80 3.274 6.628 11.662 610 H LEU 81 H LEU 81 -1.565 3.730 12.289 611 HA LEU 81 HA LEU 81 -3.480 5.900 12.319 612 HB2 LEU 81 2HB LEU 81 -3.881 2.947 12.830 613 HB3 LEU 81 1HB LEU 81 -5.167 4.129 12.686 614 HG LEU 81 HG LEU 81 -4.216 4.589 10.326 615 HD11 LEU 81 1HD1 LEU 81 -2.111 3.402 10.580 616 HD12 LEU 81 2HD1 LEU 81 -3.075 2.689 9.290 617 HD13 LEU 81 3HD1 LEU 81 -2.976 1.890 10.860 618 HD21 LEU 81 3HD2 LEU 81 -6.366 3.509 10.736 619 HD22 LEU 81 1HD2 LEU 81 -5.558 1.952 10.924 620 HD23 LEU 81 2HD2 LEU 81 -5.534 2.777 9.364 621 H GLU 82 H GLU 82 -3.742 7.118 14.062 622 HA GLU 82 HA GLU 82 -4.018 5.839 16.693 623 HB2 GLU 82 2HB GLU 82 -1.641 6.847 16.206 624 HB3 GLU 82 1HB GLU 82 -2.433 8.391 16.474 625 HG2 GLU 82 2HG GLU 82 -2.362 6.125 18.465 626 HG3 GLU 82 1HG GLU 82 -1.260 7.497 18.462 Start of MODEL 11 1 H1 MET 1 1H MET 1 4.016 4.593 26.408 2 H2 MET 1 2H MET 1 4.849 3.431 25.500 3 H3 MET 1 3H MET 1 3.827 2.948 26.754 4 HA MET 1 HA MET 1 1.914 3.825 25.573 5 HB2 MET 1 2HB MET 1 3.977 4.418 23.440 6 HB3 MET 1 1HB MET 1 2.243 4.433 23.151 7 HG2 MET 1 2HG MET 1 3.746 6.215 25.058 8 HG3 MET 1 1HG MET 1 3.065 6.679 23.498 9 HE1 MET 1 3HE MET 1 2.456 8.222 26.258 10 HE2 MET 1 1HE MET 1 0.726 8.513 26.069 11 HE3 MET 1 2HE MET 1 1.809 8.708 24.690 12 H ALA 2 H ALA 2 0.789 2.570 23.856 13 HA ALA 2 HA ALA 2 1.288 -0.177 24.177 14 HB1 ALA 2 3HB ALA 2 -0.932 0.769 23.724 15 HB2 ALA 2 1HB ALA 2 -0.526 -0.532 22.602 16 HB3 ALA 2 2HB ALA 2 -0.427 1.150 22.077 17 H GLY 3 H GLY 3 1.250 1.432 20.969 18 HA2 GLY 3 2HA GLY 3 3.788 0.992 20.090 19 HA3 GLY 3 1HA GLY 3 3.033 -0.581 19.901 20 HA PRO 4 HA PRO 4 1.831 1.848 16.136 21 HB2 PRO 4 2HB PRO 4 3.772 1.249 14.383 22 HB3 PRO 4 1HB PRO 4 3.978 2.526 15.587 23 HG2 PRO 4 2HG PRO 4 5.169 -0.190 15.497 24 HG3 PRO 4 1HG PRO 4 5.796 1.288 16.243 25 HD2 PRO 4 2HD PRO 4 4.399 -0.875 17.516 26 HD3 PRO 4 1HD PRO 4 4.979 0.631 18.258 27 H GLU 5 H GLU 5 0.094 0.277 16.118 28 HA GLU 5 HA GLU 5 0.293 -2.396 15.357 29 HB2 GLU 5 2HB GLU 5 -1.937 -0.401 15.330 30 HB3 GLU 5 1HB GLU 5 -2.181 -1.947 14.535 31 HG2 GLU 5 2HG GLU 5 -3.007 -1.849 16.876 32 HG3 GLU 5 1HG GLU 5 -1.856 -3.144 16.562 33 H GLY 6 H GLY 6 0.222 0.462 13.340 34 HA2 GLY 6 2HA GLY 6 1.335 -0.874 11.133 35 HA3 GLY 6 1HA GLY 6 -0.398 -0.749 10.875 36 H PHE 7 H PHE 7 0.563 0.459 8.972 37 HA PHE 7 HA PHE 7 0.822 3.319 9.644 38 HB2 PHE 7 2HB PHE 7 2.403 1.828 7.525 39 HB3 PHE 7 1HB PHE 7 2.459 3.565 7.808 40 HD1 PHE 7 HD1 PHE 7 3.363 4.421 9.993 41 HD2 PHE 7 HD2 PHE 7 3.721 0.340 8.814 42 HE1 PHE 7 HE1 PHE 7 5.158 4.102 11.643 43 HE2 PHE 7 HE2 PHE 7 5.516 0.019 10.467 44 HZ PHE 7 HZ PHE 7 6.237 1.900 11.885 45 H GLN 8 H GLN 8 0.519 4.689 7.579 46 HA GLN 8 HA GLN 8 -1.660 3.578 5.927 47 HB2 GLN 8 2HB GLN 8 -1.606 6.263 7.328 48 HB3 GLN 8 1HB GLN 8 -2.790 5.819 6.105 49 HG2 GLN 8 2HG GLN 8 -3.561 3.981 7.535 50 HG3 GLN 8 1HG GLN 8 -2.382 4.448 8.759 51 HE21 GLN 8 1HE2 GLN 8 -5.269 4.303 8.952 52 HE22 GLN 8 2HE2 GLN 8 -5.807 5.874 9.412 53 H TYR 9 H TYR 9 -1.606 4.051 3.818 54 HA TYR 9 HA TYR 9 0.356 6.034 2.841 55 HB2 TYR 9 2HB TYR 9 -0.667 3.524 1.481 56 HB3 TYR 9 1HB TYR 9 0.425 4.694 0.748 57 HD1 TYR 9 HD1 TYR 9 0.123 2.016 3.257 58 HD2 TYR 9 HD2 TYR 9 2.766 4.774 1.371 59 HE1 TYR 9 HE1 TYR 9 2.049 0.773 4.149 60 HE2 TYR 9 HE2 TYR 9 4.698 3.540 2.261 61 HH TYR 9 HH TYR 9 5.243 1.993 4.067 62 H ARG 10 H ARG 10 -0.286 6.929 0.609 63 HA ARG 10 HA ARG 10 -3.212 7.096 0.253 64 HB2 ARG 10 2HB ARG 10 -2.544 9.134 1.426 65 HB3 ARG 10 1HB ARG 10 -1.309 9.454 0.214 66 HG2 ARG 10 2HG ARG 10 -3.128 9.636 -1.491 67 HG3 ARG 10 1HG ARG 10 -4.302 9.492 -0.181 68 HD2 ARG 10 2HD ARG 10 -2.194 11.645 -0.409 69 HD3 ARG 10 1HD ARG 10 -3.894 11.836 -0.833 70 HE ARG 10 HE ARG 10 -4.317 11.284 1.596 71 HH11 ARG 10 1HH1 ARG 10 -1.368 12.752 0.573 72 HH12 ARG 10 2HH1 ARG 10 -1.160 13.593 2.070 73 HH21 ARG 10 1HH2 ARG 10 -4.013 12.351 3.503 74 HH22 ARG 10 2HH2 ARG 10 -2.621 13.356 3.708 75 H ALA 11 H ALA 11 -3.840 6.726 -1.794 76 HA ALA 11 HA ALA 11 -1.997 6.153 -3.871 77 HB1 ALA 11 3HB ALA 11 -3.951 5.886 -5.292 78 HB2 ALA 11 1HB ALA 11 -4.960 6.692 -4.090 79 HB3 ALA 11 2HB ALA 11 -4.224 5.132 -3.720 80 H LEU 12 H LEU 12 -0.825 7.566 -4.983 81 HA LEU 12 HA LEU 12 -1.524 10.371 -5.104 82 HB2 LEU 12 2HB LEU 12 0.806 8.878 -6.332 83 HB3 LEU 12 1HB LEU 12 0.634 10.624 -6.273 84 HG LEU 12 HG LEU 12 0.944 8.799 -3.880 85 HD11 LEU 12 1HD1 LEU 12 3.118 9.858 -3.619 86 HD12 LEU 12 2HD1 LEU 12 2.850 10.805 -5.082 87 HD13 LEU 12 3HD1 LEU 12 2.997 9.051 -5.182 88 HD21 LEU 12 3HD2 LEU 12 1.087 10.857 -2.571 89 HD22 LEU 12 1HD2 LEU 12 -0.478 10.715 -3.369 90 HD23 LEU 12 2HD2 LEU 12 0.745 11.809 -4.016 91 H TYR 13 H TYR 13 -0.775 7.927 -7.610 92 HA TYR 13 HA TYR 13 -2.504 9.431 -9.480 93 HB2 TYR 13 2HB TYR 13 0.022 7.851 -9.981 94 HB3 TYR 13 1HB TYR 13 -1.100 8.246 -11.280 95 HD1 TYR 13 HD1 TYR 13 -1.367 10.544 -12.040 96 HD2 TYR 13 HD2 TYR 13 1.383 9.582 -8.934 97 HE1 TYR 13 HE1 TYR 13 -0.313 12.747 -12.301 98 HE2 TYR 13 HE2 TYR 13 2.444 11.785 -9.190 99 HH TYR 13 HH TYR 13 2.672 13.532 -10.970 100 HA PRO 14 HA PRO 14 -5.085 5.849 -9.760 101 HB2 PRO 14 2HB PRO 14 -6.112 6.111 -12.267 102 HB3 PRO 14 1HB PRO 14 -6.592 7.149 -10.919 103 HG2 PRO 14 2HG PRO 14 -4.637 7.690 -13.129 104 HG3 PRO 14 1HG PRO 14 -5.868 8.763 -12.436 105 HD2 PRO 14 2HD PRO 14 -3.235 8.913 -11.766 106 HD3 PRO 14 1HD PRO 14 -4.537 9.330 -10.633 107 H PHE 15 H PHE 15 -4.294 3.852 -9.887 108 HA PHE 15 HA PHE 15 -2.871 3.022 -12.342 109 HB2 PHE 15 2HB PHE 15 -1.339 3.203 -10.415 110 HB3 PHE 15 1HB PHE 15 -2.354 2.086 -9.506 111 HD1 PHE 15 HD1 PHE 15 -0.248 2.369 -12.547 112 HD2 PHE 15 HD2 PHE 15 -2.046 -0.239 -9.697 113 HE1 PHE 15 HE1 PHE 15 1.029 0.483 -13.472 114 HE2 PHE 15 HE2 PHE 15 -0.769 -2.127 -10.619 115 HZ PHE 15 HZ PHE 15 0.770 -1.765 -12.505 116 H ARG 16 H ARG 16 -3.567 1.209 -13.338 117 HA ARG 16 HA ARG 16 -5.595 -0.444 -11.963 118 HB2 ARG 16 2HB ARG 16 -5.627 0.415 -14.867 119 HB3 ARG 16 1HB ARG 16 -6.777 -0.686 -14.117 120 HG2 ARG 16 2HG ARG 16 -7.517 1.127 -12.624 121 HG3 ARG 16 1HG ARG 16 -6.390 2.226 -13.422 122 HD2 ARG 16 2HD ARG 16 -8.712 0.792 -14.719 123 HD3 ARG 16 1HD ARG 16 -8.645 2.505 -14.313 124 HE ARG 16 HE ARG 16 -6.770 2.639 -15.953 125 HH11 ARG 16 1HH1 ARG 16 -9.125 0.132 -16.222 126 HH12 ARG 16 2HH1 ARG 16 -8.863 -0.067 -17.920 127 HH21 ARG 16 1HH2 ARG 16 -6.479 2.401 -18.123 128 HH22 ARG 16 2HH2 ARG 16 -7.409 1.231 -18.994 129 H ARG 17 H ARG 17 -5.813 -2.623 -12.770 130 HA ARG 17 HA ARG 17 -3.394 -3.678 -14.108 131 HB2 ARG 17 2HB ARG 17 -3.541 -4.223 -11.659 132 HB3 ARG 17 1HB ARG 17 -5.057 -5.050 -11.971 133 HG2 ARG 17 2HG ARG 17 -3.766 -6.880 -12.114 134 HG3 ARG 17 1HG ARG 17 -3.434 -6.308 -13.747 135 HD2 ARG 17 2HD ARG 17 -1.753 -5.736 -11.302 136 HD3 ARG 17 1HD ARG 17 -1.387 -6.940 -12.535 137 HE ARG 17 HE ARG 17 -1.540 -4.683 -13.978 138 HH11 ARG 17 1HH1 ARG 17 0.089 -5.375 -11.020 139 HH12 ARG 17 2HH1 ARG 17 1.429 -4.346 -11.395 140 HH21 ARG 17 1HH2 ARG 17 0.181 -3.347 -14.436 141 HH22 ARG 17 2HH2 ARG 17 1.464 -3.193 -13.286 142 H GLU 18 H GLU 18 -3.736 -5.288 -15.677 143 HA GLU 18 HA GLU 18 -6.150 -5.339 -17.090 144 HB2 GLU 18 2HB GLU 18 -5.204 -7.318 -18.269 145 HB3 GLU 18 1HB GLU 18 -4.076 -5.972 -18.165 146 HG2 GLU 18 2HG GLU 18 -2.871 -7.053 -16.380 147 HG3 GLU 18 1HG GLU 18 -4.059 -8.351 -16.312 148 H ARG 19 H ARG 19 -5.231 -7.073 -14.266 149 HA ARG 19 HA ARG 19 -7.690 -8.701 -14.397 150 HB2 ARG 19 2HB ARG 19 -5.097 -9.604 -13.114 151 HB3 ARG 19 1HB ARG 19 -6.545 -10.565 -13.386 152 HG2 ARG 19 2HG ARG 19 -6.179 -10.555 -15.762 153 HG3 ARG 19 1HG ARG 19 -4.831 -9.429 -15.590 154 HD2 ARG 19 2HD ARG 19 -3.728 -11.205 -14.143 155 HD3 ARG 19 1HD ARG 19 -4.981 -12.307 -14.719 156 HE ARG 19 HE ARG 19 -3.732 -11.040 -16.909 157 HH11 ARG 19 1HH1 ARG 19 -3.174 -13.467 -14.522 158 HH12 ARG 19 2HH1 ARG 19 -1.996 -14.288 -15.483 159 HH21 ARG 19 1HH2 ARG 19 -2.219 -12.099 -18.120 160 HH22 ARG 19 2HH2 ARG 19 -1.435 -13.507 -17.487 161 HA PRO 20 HA PRO 20 -8.514 -6.983 -10.328 162 HB2 PRO 20 2HB PRO 20 -10.022 -8.956 -9.222 163 HB3 PRO 20 1HB PRO 20 -10.630 -7.883 -10.488 164 HG2 PRO 20 2HG PRO 20 -9.541 -10.671 -10.729 165 HG3 PRO 20 1HG PRO 20 -10.984 -9.967 -11.486 166 HD2 PRO 20 2HD PRO 20 -8.643 -10.251 -12.819 167 HD3 PRO 20 1HD PRO 20 -9.750 -8.899 -13.131 168 H GLU 21 H GLU 21 -6.322 -9.349 -10.839 169 HA GLU 21 HA GLU 21 -5.917 -10.677 -8.426 170 HB2 GLU 21 2HB GLU 21 -4.820 -11.103 -10.682 171 HB3 GLU 21 1HB GLU 21 -3.718 -9.789 -10.301 172 HG2 GLU 21 2HG GLU 21 -2.639 -11.858 -9.787 173 HG3 GLU 21 1HG GLU 21 -3.009 -11.034 -8.271 174 H ASP 22 H ASP 22 -4.276 -7.700 -9.556 175 HA ASP 22 HA ASP 22 -3.136 -7.223 -6.932 176 HB2 ASP 22 2HB ASP 22 -3.026 -5.589 -9.487 177 HB3 ASP 22 1HB ASP 22 -2.143 -5.204 -8.013 178 H LEU 23 H LEU 23 -3.257 -4.687 -6.311 179 HA LEU 23 HA LEU 23 -6.130 -4.125 -5.979 180 HB2 LEU 23 2HB LEU 23 -4.693 -4.364 -3.958 181 HB3 LEU 23 1HB LEU 23 -3.764 -2.973 -4.486 182 HG LEU 23 HG LEU 23 -5.809 -1.568 -4.288 183 HD11 LEU 23 1HD1 LEU 23 -7.494 -3.290 -4.618 184 HD12 LEU 23 2HD1 LEU 23 -7.755 -2.447 -3.093 185 HD13 LEU 23 3HD1 LEU 23 -7.035 -4.057 -3.099 186 HD21 LEU 23 3HD2 LEU 23 -5.824 -1.470 -1.853 187 HD22 LEU 23 1HD2 LEU 23 -4.184 -1.694 -2.458 188 HD23 LEU 23 2HD2 LEU 23 -5.060 -3.059 -1.767 189 H GLU 24 H GLU 24 -7.025 -2.601 -7.218 190 HA GLU 24 HA GLU 24 -5.438 -0.754 -8.766 191 HB2 GLU 24 2HB GLU 24 -8.451 -0.714 -8.504 192 HB3 GLU 24 1HB GLU 24 -7.474 -0.114 -9.833 193 HG2 GLU 24 2HG GLU 24 -8.080 -2.033 -10.827 194 HG3 GLU 24 1HG GLU 24 -6.776 -2.729 -9.870 195 H LEU 25 H LEU 25 -5.253 1.464 -8.497 196 HA LEU 25 HA LEU 25 -6.262 2.540 -5.930 197 HB2 LEU 25 2HB LEU 25 -3.580 3.113 -7.201 198 HB3 LEU 25 1HB LEU 25 -4.155 3.732 -5.664 199 HG LEU 25 HG LEU 25 -3.558 0.833 -6.286 200 HD11 LEU 25 1HD1 LEU 25 -2.089 2.806 -4.538 201 HD12 LEU 25 2HD1 LEU 25 -1.547 2.206 -6.107 202 HD13 LEU 25 3HD1 LEU 25 -1.692 1.099 -4.741 203 HD21 LEU 25 3HD2 LEU 25 -3.932 0.464 -3.885 204 HD22 LEU 25 1HD2 LEU 25 -5.391 1.021 -4.704 205 HD23 LEU 25 2HD2 LEU 25 -4.454 2.140 -3.715 206 H LEU 26 H LEU 26 -7.066 4.589 -5.903 207 HA LEU 26 HA LEU 26 -6.999 6.145 -8.424 208 HB2 LEU 26 2HB LEU 26 -9.288 5.675 -6.517 209 HB3 LEU 26 1HB LEU 26 -9.269 7.055 -7.592 210 HG LEU 26 HG LEU 26 -10.656 5.313 -8.522 211 HD11 LEU 26 1HD1 LEU 26 -9.627 5.058 -10.716 212 HD12 LEU 26 2HD1 LEU 26 -8.061 5.524 -10.051 213 HD13 LEU 26 3HD1 LEU 26 -9.386 6.689 -10.090 214 HD21 LEU 26 3HD2 LEU 26 -9.803 3.126 -9.151 215 HD22 LEU 26 1HD2 LEU 26 -9.639 3.379 -7.414 216 HD23 LEU 26 2HD2 LEU 26 -8.228 3.519 -8.464 217 HA PRO 27 HA PRO 27 -4.963 9.281 -6.158 218 HB2 PRO 27 2HB PRO 27 -6.005 11.562 -7.327 219 HB3 PRO 27 1HB PRO 27 -4.723 10.567 -8.025 220 HG2 PRO 27 2HG PRO 27 -7.659 10.563 -8.615 221 HG3 PRO 27 1HG PRO 27 -6.289 10.440 -9.737 222 HD2 PRO 27 2HD PRO 27 -7.699 8.273 -9.014 223 HD3 PRO 27 1HD PRO 27 -5.943 8.187 -9.260 224 H GLY 28 H GLY 28 -5.629 9.272 -4.039 225 HA2 GLY 28 2HA GLY 28 -6.436 11.131 -2.553 226 HA3 GLY 28 1HA GLY 28 -7.961 10.995 -3.402 227 H ASP 29 H ASP 29 -6.935 7.836 -3.027 228 HA ASP 29 HA ASP 29 -8.563 7.597 -0.602 229 HB2 ASP 29 2HB ASP 29 -8.682 5.191 -1.075 230 HB3 ASP 29 1HB ASP 29 -9.237 6.158 -2.432 231 H VAL 30 H VAL 30 -7.946 6.210 1.147 232 HA VAL 30 HA VAL 30 -5.062 6.347 1.701 233 HB VAL 30 HB VAL 30 -7.381 5.981 3.618 234 HG11 VAL 30 1HG1 VAL 30 -5.367 4.913 4.469 235 HG12 VAL 30 2HG1 VAL 30 -5.715 6.376 5.391 236 HG13 VAL 30 3HG1 VAL 30 -4.436 6.383 4.174 237 HG21 VAL 30 3HG2 VAL 30 -6.904 8.278 4.321 238 HG22 VAL 30 1HG2 VAL 30 -7.336 8.208 2.611 239 HG23 VAL 30 2HG2 VAL 30 -5.649 8.400 3.088 240 H LEU 31 H LEU 31 -3.872 4.578 2.032 241 HA LEU 31 HA LEU 31 -5.187 1.948 1.897 242 HB2 LEU 31 2HB LEU 31 -2.315 2.682 1.281 243 HB3 LEU 31 1HB LEU 31 -3.015 1.081 1.140 244 HG LEU 31 HG LEU 31 -4.624 2.106 -0.578 245 HD11 LEU 31 1HD1 LEU 31 -2.551 4.298 -0.537 246 HD12 LEU 31 2HD1 LEU 31 -4.247 4.454 -0.077 247 HD13 LEU 31 3HD1 LEU 31 -3.818 4.097 -1.749 248 HD21 LEU 31 3HD2 LEU 31 -2.983 1.888 -2.385 249 HD22 LEU 31 1HD2 LEU 31 -2.825 0.601 -1.191 250 HD23 LEU 31 2HD2 LEU 31 -1.677 1.940 -1.200 251 H VAL 32 H VAL 32 -5.442 1.058 3.840 252 HA VAL 32 HA VAL 32 -3.609 1.730 6.022 253 HB VAL 32 HB VAL 32 -6.208 0.174 6.082 254 HG11 VAL 32 1HG1 VAL 32 -4.758 -0.440 7.937 255 HG12 VAL 32 2HG1 VAL 32 -6.117 0.521 8.514 256 HG13 VAL 32 3HG1 VAL 32 -4.525 1.260 8.346 257 HG21 VAL 32 3HG2 VAL 32 -6.562 2.496 5.421 258 HG22 VAL 32 1HG2 VAL 32 -5.638 3.055 6.816 259 HG23 VAL 32 2HG2 VAL 32 -7.173 2.219 7.052 260 H VAL 33 H VAL 33 -1.966 0.449 6.562 261 HA VAL 33 HA VAL 33 -2.113 -2.450 5.976 262 HB VAL 33 HB VAL 33 0.367 -0.720 5.747 263 HG11 VAL 33 1HG1 VAL 33 0.886 -3.000 6.426 264 HG12 VAL 33 2HG1 VAL 33 1.400 -2.728 4.760 265 HG13 VAL 33 3HG1 VAL 33 -0.075 -3.639 5.091 266 HG21 VAL 33 3HG2 VAL 33 0.205 -1.085 3.331 267 HG22 VAL 33 1HG2 VAL 33 -1.218 -0.242 3.940 268 HG23 VAL 33 2HG2 VAL 33 -1.309 -1.960 3.555 269 H SER 34 H SER 34 -1.524 -3.811 7.616 270 HA SER 34 HA SER 34 -0.767 -2.617 10.185 271 HB2 SER 34 2HB SER 34 -1.284 -4.805 11.152 272 HB3 SER 34 1HB SER 34 -2.614 -4.272 10.126 273 HG SER 34 HG SER 34 -1.977 -5.697 8.552 274 H ARG 35 H ARG 35 1.082 -3.261 11.398 275 HA ARG 35 HA ARG 35 3.437 -3.641 9.930 276 HB2 ARG 35 2HB ARG 35 4.537 -4.115 12.137 277 HB3 ARG 35 1HB ARG 35 3.622 -2.617 12.074 278 HG2 ARG 35 2HG ARG 35 1.821 -3.604 13.341 279 HG3 ARG 35 1HG ARG 35 2.597 -5.188 13.283 280 HD2 ARG 35 2HD ARG 35 4.300 -4.544 14.751 281 HD3 ARG 35 1HD ARG 35 4.024 -2.827 14.469 282 HE ARG 35 HE ARG 35 1.718 -3.770 15.650 283 HH11 ARG 35 1HH1 ARG 35 5.058 -3.700 16.497 284 HH12 ARG 35 2HH1 ARG 35 4.742 -3.459 18.180 285 HH21 ARG 35 1HH2 ARG 35 1.324 -3.406 17.826 286 HH22 ARG 35 2HH2 ARG 35 2.658 -3.308 18.925 287 H ALA 36 H ALA 36 1.264 -6.004 11.308 288 HA ALA 36 HA ALA 36 2.867 -8.277 11.377 289 HB1 ALA 36 3HB ALA 36 0.825 -9.569 11.194 290 HB2 ALA 36 1HB ALA 36 -0.041 -8.168 10.561 291 HB3 ALA 36 2HB ALA 36 0.548 -8.164 12.223 292 H ALA 37 H ALA 37 1.178 -6.815 8.628 293 HA ALA 37 HA ALA 37 1.813 -8.810 6.711 294 HB1 ALA 37 3HB ALA 37 1.137 -7.169 5.049 295 HB2 ALA 37 1HB ALA 37 1.224 -5.881 6.253 296 HB3 ALA 37 2HB ALA 37 0.016 -7.156 6.410 297 H LEU 38 H LEU 38 3.384 -5.730 7.557 298 HA LEU 38 HA LEU 38 5.458 -5.796 5.665 299 HB2 LEU 38 2HB LEU 38 5.483 -4.618 8.451 300 HB3 LEU 38 1HB LEU 38 6.639 -4.246 7.184 301 HG LEU 38 HG LEU 38 3.678 -3.630 7.090 302 HD11 LEU 38 1HD1 LEU 38 4.858 -2.237 8.710 303 HD12 LEU 38 2HD1 LEU 38 4.368 -1.292 7.304 304 HD13 LEU 38 3HD1 LEU 38 6.048 -1.798 7.483 305 HD21 LEU 38 3HD2 LEU 38 5.889 -2.903 5.158 306 HD22 LEU 38 1HD2 LEU 38 4.213 -2.363 5.065 307 HD23 LEU 38 2HD2 LEU 38 4.599 -4.070 4.867 308 H GLN 39 H GLN 39 5.322 -7.100 8.972 309 HA GLN 39 HA GLN 39 7.940 -8.126 9.094 310 HB2 GLN 39 2HB GLN 39 5.425 -9.159 10.436 311 HB3 GLN 39 1HB GLN 39 7.064 -9.628 10.868 312 HG2 GLN 39 2HG GLN 39 5.906 -6.852 11.079 313 HG3 GLN 39 1HG GLN 39 6.168 -7.971 12.414 314 HE21 GLN 39 1HE2 GLN 39 8.288 -8.399 13.074 315 HE22 GLN 39 2HE2 GLN 39 9.593 -7.342 12.682 316 H ALA 40 H ALA 40 4.939 -9.547 7.852 317 HA ALA 40 HA ALA 40 5.938 -12.127 7.269 318 HB1 ALA 40 3HB ALA 40 3.991 -12.347 5.803 319 HB2 ALA 40 1HB ALA 40 3.705 -10.610 5.910 320 HB3 ALA 40 2HB ALA 40 3.547 -11.620 7.348 321 H LEU 41 H LEU 41 5.728 -9.188 5.276 322 HA LEU 41 HA LEU 41 6.926 -10.262 2.944 323 HB2 LEU 41 2HB LEU 41 6.907 -7.404 3.938 324 HB3 LEU 41 1HB LEU 41 7.291 -7.910 2.302 325 HG LEU 41 HG LEU 41 4.600 -8.252 3.643 326 HD11 LEU 41 1HD1 LEU 41 5.507 -6.288 1.537 327 HD12 LEU 41 2HD1 LEU 41 5.082 -5.910 3.207 328 HD13 LEU 41 3HD1 LEU 41 3.849 -6.502 2.097 329 HD21 LEU 41 3HD2 LEU 41 5.028 -9.996 1.992 330 HD22 LEU 41 1HD2 LEU 41 5.467 -8.776 0.794 331 HD23 LEU 41 2HD2 LEU 41 3.811 -8.864 1.400 332 H GLY 42 H GLY 42 8.223 -9.150 5.952 333 HA2 GLY 42 2HA GLY 42 10.370 -9.547 6.778 334 HA3 GLY 42 1HA GLY 42 10.905 -9.954 5.156 335 H VAL 43 H VAL 43 9.174 -6.977 5.580 336 HA VAL 43 HA VAL 43 11.314 -5.418 4.554 337 HB VAL 43 HB VAL 43 8.829 -4.455 6.003 338 HG11 VAL 43 1HG1 VAL 43 10.571 -2.732 5.865 339 HG12 VAL 43 2HG1 VAL 43 9.203 -2.333 4.828 340 HG13 VAL 43 3HG1 VAL 43 10.688 -2.976 4.125 341 HG21 VAL 43 3HG2 VAL 43 7.886 -4.149 3.735 342 HG22 VAL 43 1HG2 VAL 43 8.231 -5.841 4.096 343 HG23 VAL 43 2HG2 VAL 43 9.319 -4.922 3.054 344 H ALA 44 H ALA 44 13.015 -4.543 5.569 345 HA ALA 44 HA ALA 44 13.484 -4.926 8.341 346 HB1 ALA 44 3HB ALA 44 15.303 -4.850 6.714 347 HB2 ALA 44 1HB ALA 44 15.540 -3.641 7.975 348 HB3 ALA 44 2HB ALA 44 14.954 -3.155 6.385 349 H GLU 45 H GLU 45 13.064 -3.663 10.065 350 HA GLU 45 HA GLU 45 11.334 -1.481 9.972 351 HB2 GLU 45 2HB GLU 45 12.102 -1.031 12.333 352 HB3 GLU 45 1HB GLU 45 11.534 -2.664 12.025 353 HG2 GLU 45 2HG GLU 45 13.851 -3.445 11.877 354 HG3 GLU 45 1HG GLU 45 14.421 -1.804 12.180 355 H GLY 46 H GLY 46 11.562 0.642 9.616 356 HA2 GLY 46 2HA GLY 46 12.767 2.709 9.532 357 HA3 GLY 46 1HA GLY 46 14.273 1.802 9.460 358 H GLY 47 H GLY 47 12.340 0.160 7.444 359 HA2 GLY 47 2HA GLY 47 13.048 1.807 5.085 360 HA3 GLY 47 1HA GLY 47 12.985 0.054 5.084 361 H GLU 48 H GLU 48 10.418 0.767 6.882 362 HA GLU 48 HA GLU 48 8.541 0.180 4.818 363 HB2 GLU 48 2HB GLU 48 6.853 0.270 6.543 364 HB3 GLU 48 1HB GLU 48 8.268 -0.563 7.165 365 HG2 GLU 48 2HG GLU 48 7.582 2.322 7.730 366 HG3 GLU 48 1HG GLU 48 7.213 0.971 8.797 367 H ARG 49 H ARG 49 9.772 3.136 6.103 368 HA ARG 49 HA ARG 49 7.644 4.859 5.298 369 HB2 ARG 49 2HB ARG 49 10.575 5.465 5.739 370 HB3 ARG 49 1HB ARG 49 9.314 6.676 5.546 371 HG2 ARG 49 2HG ARG 49 8.213 5.816 7.581 372 HG3 ARG 49 1HG ARG 49 9.536 4.665 7.783 373 HD2 ARG 49 2HD ARG 49 9.848 6.628 9.207 374 HD3 ARG 49 1HD ARG 49 11.122 6.512 7.995 375 HE ARG 49 HE ARG 49 9.185 8.151 6.911 376 HH11 ARG 49 1HH1 ARG 49 11.249 8.218 9.671 377 HH12 ARG 49 2HH1 ARG 49 11.308 9.943 9.706 378 HH21 ARG 49 1HH2 ARG 49 9.268 10.356 6.984 379 HH22 ARG 49 2HH2 ARG 49 10.193 11.135 8.222 380 H CYS 50 H CYS 50 9.940 3.129 3.495 381 HA CYS 50 HA CYS 50 9.580 4.912 1.162 382 HB2 CYS 50 2HB CYS 50 11.940 3.099 1.733 383 HB3 CYS 50 1HB CYS 50 11.757 4.148 0.332 384 HG CYS 50 HG CYS 50 13.553 4.950 2.619 385 HA PRO 51 HA PRO 51 7.428 0.922 0.156 386 HB2 PRO 51 2HB PRO 51 5.644 2.094 -1.573 387 HB3 PRO 51 1HB PRO 51 5.382 1.944 0.169 388 HG2 PRO 51 2HG PRO 51 6.384 4.297 -1.400 389 HG3 PRO 51 1HG PRO 51 5.205 4.257 -0.074 390 HD2 PRO 51 2HD PRO 51 7.759 5.005 0.334 391 HD3 PRO 51 1HD PRO 51 6.854 4.085 1.555 392 H GLN 52 H GLN 52 8.775 3.438 -1.898 393 HA GLN 52 HA GLN 52 8.751 1.996 -4.348 394 HB2 GLN 52 2HB GLN 52 10.637 4.216 -3.502 395 HB3 GLN 52 1HB GLN 52 10.379 3.653 -5.146 396 HG2 GLN 52 2HG GLN 52 9.046 5.486 -5.178 397 HG3 GLN 52 1HG GLN 52 7.872 4.309 -4.598 398 HE21 GLN 52 1HE2 GLN 52 7.920 7.188 -4.243 399 HE22 GLN 52 2HE2 GLN 52 7.912 7.466 -2.539 400 H SER 53 H SER 53 10.693 1.731 -1.538 401 HA SER 53 HA SER 53 12.915 0.411 -2.876 402 HB2 SER 53 2HB SER 53 12.335 0.765 0.082 403 HB3 SER 53 1HB SER 53 13.830 0.123 -0.598 404 HG SER 53 HG SER 53 14.438 2.129 -0.637 405 H VAL 54 H VAL 54 9.949 -0.471 -1.320 406 HA VAL 54 HA VAL 54 10.731 -3.244 -0.895 407 HB VAL 54 HB VAL 54 8.032 -1.928 -0.495 408 HG11 VAL 54 1HG1 VAL 54 9.097 -4.595 0.446 409 HG12 VAL 54 2HG1 VAL 54 7.831 -4.333 -0.756 410 HG13 VAL 54 3HG1 VAL 54 7.554 -3.889 0.929 411 HG21 VAL 54 3HG2 VAL 54 9.722 -0.903 0.932 412 HG22 VAL 54 1HG2 VAL 54 10.228 -2.493 1.505 413 HG23 VAL 54 2HG2 VAL 54 8.618 -1.884 1.894 414 H GLY 55 H GLY 55 8.193 -1.549 -2.768 415 HA2 GLY 55 2HA GLY 55 7.976 -2.214 -5.155 416 HA3 GLY 55 1HA GLY 55 8.125 -3.879 -4.609 417 H TRP 56 H TRP 56 6.343 -4.898 -3.633 418 HA TRP 56 HA TRP 56 3.813 -3.381 -3.725 419 HB2 TRP 56 2HB TRP 56 2.737 -5.668 -4.232 420 HB3 TRP 56 1HB TRP 56 3.591 -4.855 -5.533 421 HD1 TRP 56 HD1 TRP 56 5.249 -7.067 -2.806 422 HE1 TRP 56 HE1 TRP 56 6.408 -9.038 -3.979 423 HE3 TRP 56 HE3 TRP 56 3.707 -6.183 -7.600 424 HZ2 TRP 56 HZ2 TRP 56 6.632 -10.090 -6.579 425 HZ3 TRP 56 HZ3 TRP 56 4.436 -7.727 -9.373 426 HH2 TRP 56 HH2 TRP 56 5.870 -9.640 -8.871 427 H MET 57 H MET 57 2.372 -3.608 -2.057 428 HA MET 57 HA MET 57 2.955 -5.577 0.049 429 HB2 MET 57 2HB MET 57 2.390 -2.651 0.607 430 HB3 MET 57 1HB MET 57 2.590 -3.910 1.817 431 HG2 MET 57 2HG MET 57 4.623 -2.770 1.802 432 HG3 MET 57 1HG MET 57 4.931 -4.231 0.865 433 HE1 MET 57 3HE MET 57 4.292 -0.383 0.775 434 HE2 MET 57 1HE MET 57 2.999 -0.964 -0.277 435 HE3 MET 57 2HE MET 57 4.332 -0.030 -0.954 436 HA PRO 58 HA PRO 58 -1.522 -5.939 -0.013 437 HB2 PRO 58 2HB PRO 58 -1.899 -7.431 2.194 438 HB3 PRO 58 1HB PRO 58 -1.135 -8.089 0.739 439 HG2 PRO 58 2HG PRO 58 0.141 -7.103 3.268 440 HG3 PRO 58 1HG PRO 58 0.519 -8.552 2.317 441 HD2 PRO 58 2HD PRO 58 1.940 -6.206 2.164 442 HD3 PRO 58 1HD PRO 58 1.827 -7.381 0.836 443 H GLY 59 H GLY 59 -2.992 -4.417 0.542 444 HA2 GLY 59 2HA GLY 59 -3.180 -3.491 3.311 445 HA3 GLY 59 1HA GLY 59 -2.787 -2.271 2.111 446 H LEU 60 H LEU 60 -4.962 -1.783 3.518 447 HA LEU 60 HA LEU 60 -7.312 -2.816 2.095 448 HB2 LEU 60 2HB LEU 60 -7.311 -2.849 4.559 449 HB3 LEU 60 1HB LEU 60 -7.105 -1.108 4.583 450 HG LEU 60 HG LEU 60 -9.326 -0.882 3.442 451 HD11 LEU 60 1HD1 LEU 60 -9.538 -3.844 3.989 452 HD12 LEU 60 2HD1 LEU 60 -9.436 -3.082 2.401 453 HD13 LEU 60 3HD1 LEU 60 -10.842 -2.798 3.425 454 HD21 LEU 60 3HD2 LEU 60 -9.339 -2.340 6.087 455 HD22 LEU 60 1HD2 LEU 60 -10.660 -1.369 5.437 456 HD23 LEU 60 2HD2 LEU 60 -9.127 -0.604 5.857 457 H ASN 61 H ASN 61 -8.084 -1.690 0.413 458 HA ASN 61 HA ASN 61 -7.538 1.173 0.134 459 HB2 ASN 61 2HB ASN 61 -7.231 -0.209 -1.847 460 HB3 ASN 61 1HB ASN 61 -8.883 -0.813 -1.724 461 HD21 ASN 61 1HD2 ASN 61 -6.882 1.897 -2.577 462 HD22 ASN 61 2HD2 ASN 61 -8.107 2.793 -3.394 463 H GLU 62 H GLU 62 -8.968 2.700 0.779 464 HA GLU 62 HA GLU 62 -11.401 1.871 2.029 465 HB2 GLU 62 2HB GLU 62 -10.334 4.654 1.549 466 HB3 GLU 62 1HB GLU 62 -11.720 4.267 2.561 467 HG2 GLU 62 2HG GLU 62 -10.114 2.765 3.874 468 HG3 GLU 62 1HG GLU 62 -8.825 3.609 3.018 469 H ARG 63 H ARG 63 -10.837 2.621 -1.240 470 HA ARG 63 HA ARG 63 -13.463 3.763 -1.725 471 HB2 ARG 63 2HB ARG 63 -11.471 2.673 -3.729 472 HB3 ARG 63 1HB ARG 63 -12.929 3.573 -4.118 473 HG2 ARG 63 2HG ARG 63 -11.938 5.462 -2.720 474 HG3 ARG 63 1HG ARG 63 -10.423 4.558 -2.793 475 HD2 ARG 63 2HD ARG 63 -10.720 4.537 -5.313 476 HD3 ARG 63 1HD ARG 63 -12.011 5.714 -5.079 477 HE ARG 63 HE ARG 63 -9.160 6.131 -4.517 478 HH11 ARG 63 1HH1 ARG 63 -12.339 7.441 -4.866 479 HH12 ARG 63 2HH1 ARG 63 -11.752 9.058 -5.055 480 HH21 ARG 63 1HH2 ARG 63 -8.447 8.197 -4.790 481 HH22 ARG 63 2HH2 ARG 63 -9.587 9.482 -5.010 482 H THR 64 H THR 64 -11.893 0.672 -2.611 483 HA THR 64 HA THR 64 -14.482 -0.539 -3.191 484 HB THR 64 HB THR 64 -13.158 -2.583 -3.717 485 HG1 THR 64 HG1 THR 64 -10.763 -2.061 -3.855 486 HG21 THR 64 3HG2 THR 64 -12.167 -0.050 -5.046 487 HG22 THR 64 1HG2 THR 64 -13.613 -0.960 -5.488 488 HG23 THR 64 2HG2 THR 64 -12.017 -1.680 -5.705 489 H ARG 65 H ARG 65 -12.541 -0.097 -0.472 490 HA ARG 65 HA ARG 65 -12.575 -0.839 1.664 491 HB2 ARG 65 2HB ARG 65 -15.225 -2.079 0.878 492 HB3 ARG 65 1HB ARG 65 -14.619 -1.964 2.521 493 HG2 ARG 65 2HG ARG 65 -16.019 -0.157 2.471 494 HG3 ARG 65 1HG ARG 65 -14.509 0.609 1.978 495 HD2 ARG 65 2HD ARG 65 -16.395 1.317 0.571 496 HD3 ARG 65 1HD ARG 65 -15.175 0.452 -0.366 497 HE ARG 65 HE ARG 65 -17.240 -1.276 0.587 498 HH11 ARG 65 1HH1 ARG 65 -16.473 0.977 -1.907 499 HH12 ARG 65 2HH1 ARG 65 -17.584 0.271 -3.028 500 HH21 ARG 65 1HH2 ARG 65 -18.640 -2.167 -0.846 501 HH22 ARG 65 2HH2 ARG 65 -18.783 -1.513 -2.443 502 H GLN 66 H GLN 66 -11.610 -2.588 -0.659 503 HA GLN 66 HA GLN 66 -11.647 -5.210 0.697 504 HB2 GLN 66 2HB GLN 66 -10.821 -4.641 -2.160 505 HB3 GLN 66 1HB GLN 66 -11.112 -6.213 -1.431 506 HG2 GLN 66 2HG GLN 66 -13.190 -4.088 -1.930 507 HG3 GLN 66 1HG GLN 66 -12.938 -5.536 -2.899 508 HE21 GLN 66 1HE2 GLN 66 -15.299 -4.621 -1.425 509 HE22 GLN 66 2HE2 GLN 66 -15.705 -5.913 -0.352 510 H ARG 67 H ARG 67 -9.695 -6.403 0.919 511 HA ARG 67 HA ARG 67 -7.271 -4.743 1.022 512 HB2 ARG 67 2HB ARG 67 -6.420 -6.942 2.246 513 HB3 ARG 67 1HB ARG 67 -7.363 -5.725 3.093 514 HG2 ARG 67 2HG ARG 67 -9.247 -7.040 3.189 515 HG3 ARG 67 1HG ARG 67 -8.801 -7.975 1.763 516 HD2 ARG 67 2HD ARG 67 -7.257 -8.159 4.343 517 HD3 ARG 67 1HD ARG 67 -8.673 -9.159 4.025 518 HE ARG 67 HE ARG 67 -6.054 -9.437 2.867 519 HH11 ARG 67 1HH1 ARG 67 -9.407 -10.158 2.503 520 HH12 ARG 67 2HH1 ARG 67 -9.117 -11.470 1.413 521 HH21 ARG 67 1HH2 ARG 67 -5.707 -11.164 1.504 522 HH22 ARG 67 2HH2 ARG 67 -7.060 -12.033 0.863 523 H GLY 68 H GLY 68 -5.605 -5.021 -0.331 524 HA2 GLY 68 2HA GLY 68 -5.152 -7.556 -1.687 525 HA3 GLY 68 1HA GLY 68 -5.664 -6.242 -2.733 526 H ASP 69 H ASP 69 -3.316 -7.300 -3.361 527 HA ASP 69 HA ASP 69 -1.140 -5.910 -2.012 528 HB2 ASP 69 2HB ASP 69 -1.024 -7.716 -4.447 529 HB3 ASP 69 1HB ASP 69 0.328 -7.232 -3.422 530 H PHE 70 H PHE 70 -0.495 -3.933 -2.598 531 HA PHE 70 HA PHE 70 -1.126 -2.975 -5.325 532 HB2 PHE 70 2HB PHE 70 -1.366 -0.719 -4.371 533 HB3 PHE 70 1HB PHE 70 -2.489 -1.850 -3.629 534 HD1 PHE 70 HD2 PHE 70 0.548 0.160 -3.101 535 HD2 PHE 70 HD1 PHE 70 -2.309 -2.439 -1.293 536 HE1 PHE 70 HE2 PHE 70 1.369 0.807 -0.875 537 HE2 PHE 70 HE1 PHE 70 -1.488 -1.790 0.933 538 HZ PHE 70 HZ PHE 70 0.351 -0.166 1.145 539 HA PRO 71 HA PRO 71 3.232 -1.946 -5.758 540 HB2 PRO 71 2HB PRO 71 3.063 -0.126 -7.764 541 HB3 PRO 71 1HB PRO 71 2.841 -1.859 -8.032 542 HG2 PRO 71 2HG PRO 71 0.775 0.289 -7.728 543 HG3 PRO 71 1HG PRO 71 0.824 -1.058 -8.878 544 HD2 PRO 71 2HD PRO 71 -0.691 -1.090 -6.611 545 HD3 PRO 71 1HD PRO 71 -0.017 -2.560 -7.347 546 H GLY 72 H GLY 72 4.082 -0.826 -4.089 547 HA2 GLY 72 2HA GLY 72 2.899 1.428 -2.889 548 HA3 GLY 72 1HA GLY 72 4.508 0.824 -2.562 549 H THR 73 H THR 73 5.022 1.341 -5.613 550 HA THR 73 HA THR 73 6.361 3.807 -5.210 551 HB THR 73 HB THR 73 7.148 2.135 -6.835 552 HG1 THR 73 HG1 THR 73 7.907 3.641 -8.224 553 HG21 THR 73 3HG2 THR 73 4.772 3.006 -8.494 554 HG22 THR 73 1HG2 THR 73 5.017 1.413 -7.777 555 HG23 THR 73 2HG2 THR 73 6.090 1.979 -9.056 556 H TYR 74 H TYR 74 3.099 3.197 -6.012 557 HA TYR 74 HA TYR 74 2.739 5.840 -7.257 558 HB2 TYR 74 2HB TYR 74 0.794 3.536 -6.968 559 HB3 TYR 74 1HB TYR 74 0.444 5.058 -7.779 560 HD1 TYR 74 HD2 TYR 74 1.641 5.629 -9.906 561 HD2 TYR 74 HD1 TYR 74 2.018 1.804 -8.072 562 HE1 TYR 74 HE2 TYR 74 2.528 4.713 -12.009 563 HE2 TYR 74 HE1 TYR 74 2.900 0.881 -10.172 564 HH TYR 74 HH TYR 74 2.925 1.330 -12.514 565 H VAL 75 H VAL 75 2.874 4.772 -4.180 566 HA VAL 75 HA VAL 75 0.715 6.588 -3.286 567 HB VAL 75 HB VAL 75 0.358 5.212 -1.302 568 HG11 VAL 75 1HG1 VAL 75 0.176 3.609 -3.855 569 HG12 VAL 75 2HG1 VAL 75 -1.017 4.760 -3.259 570 HG13 VAL 75 3HG1 VAL 75 -0.707 3.272 -2.367 571 HG21 VAL 75 3HG2 VAL 75 2.612 4.272 -1.073 572 HG22 VAL 75 1HG2 VAL 75 2.349 3.284 -2.511 573 HG23 VAL 75 2HG2 VAL 75 1.386 3.004 -1.060 574 H GLU 76 H GLU 76 1.082 7.792 -1.365 575 HA GLU 76 HA GLU 76 3.926 8.179 -0.707 576 HB2 GLU 76 2HB GLU 76 3.294 10.323 0.210 577 HB3 GLU 76 1HB GLU 76 2.596 10.161 -1.396 578 HG2 GLU 76 2HG GLU 76 0.424 9.693 -0.464 579 HG3 GLU 76 1HG GLU 76 1.088 9.668 1.168 580 H PHE 77 H PHE 77 4.610 8.373 1.515 581 HA PHE 77 HA PHE 77 3.132 6.610 3.312 582 HB2 PHE 77 2HB PHE 77 5.540 6.241 3.058 583 HB3 PHE 77 1HB PHE 77 5.870 7.884 3.596 584 HD1 PHE 77 HD2 PHE 77 4.474 4.622 4.684 585 HD2 PHE 77 HD1 PHE 77 6.071 8.385 5.891 586 HE1 PHE 77 HE2 PHE 77 4.578 3.831 7.010 587 HE2 PHE 77 HE1 PHE 77 6.177 7.595 8.216 588 HZ PHE 77 HZ PHE 77 5.428 5.317 8.780 589 H LEU 78 H LEU 78 1.632 7.464 4.608 590 HA LEU 78 HA LEU 78 1.667 10.282 5.314 591 HB2 LEU 78 2HB LEU 78 -0.292 8.109 6.088 592 HB3 LEU 78 1HB LEU 78 -0.521 9.832 6.333 593 HG LEU 78 HG LEU 78 -0.349 8.431 3.657 594 HD11 LEU 78 1HD1 LEU 78 -2.702 9.697 5.066 595 HD12 LEU 78 2HD1 LEU 78 -2.438 7.967 4.836 596 HD13 LEU 78 3HD1 LEU 78 -2.712 9.010 3.440 597 HD21 LEU 78 3HD2 LEU 78 0.592 10.684 3.558 598 HD22 LEU 78 1HD2 LEU 78 -0.871 11.336 4.299 599 HD23 LEU 78 2HD2 LEU 78 -0.946 10.598 2.699 600 H GLY 79 H GLY 79 1.326 7.275 7.233 601 HA2 GLY 79 2HA GLY 79 3.274 7.566 9.102 602 HA3 GLY 79 1HA GLY 79 2.027 8.663 9.677 603 HA PRO 80 HA PRO 80 1.038 4.521 11.496 604 HB2 PRO 80 2HB PRO 80 0.411 5.391 13.976 605 HB3 PRO 80 1HB PRO 80 2.084 5.139 13.462 606 HG2 PRO 80 2HG PRO 80 0.521 7.693 13.635 607 HG3 PRO 80 1HG PRO 80 2.194 7.370 14.130 608 HD2 PRO 80 2HD PRO 80 1.529 8.585 11.770 609 HD3 PRO 80 1HD PRO 80 3.005 7.624 11.989 610 H LEU 81 H LEU 81 -0.988 3.588 12.020 611 HA LEU 81 HA LEU 81 -3.276 5.178 11.150 612 HB2 LEU 81 2HB LEU 81 -4.463 2.925 11.198 613 HB3 LEU 81 1HB LEU 81 -3.208 3.161 10.002 614 HG LEU 81 HG LEU 81 -1.638 1.888 11.497 615 HD11 LEU 81 1HD1 LEU 81 -2.806 2.155 13.628 616 HD12 LEU 81 2HD1 LEU 81 -2.583 0.453 13.234 617 HD13 LEU 81 3HD1 LEU 81 -4.161 1.208 13.014 618 HD21 LEU 81 3HD2 LEU 81 -4.105 0.441 10.543 619 HD22 LEU 81 1HD2 LEU 81 -2.548 -0.306 10.896 620 HD23 LEU 81 2HD2 LEU 81 -2.692 0.849 9.572 621 H GLU 82 H GLU 82 -5.366 4.978 12.217 622 HA GLU 82 HA GLU 82 -5.069 5.145 15.122 623 HB2 GLU 82 2HB GLU 82 -7.228 6.293 15.151 624 HB3 GLU 82 1HB GLU 82 -6.103 7.079 14.061 625 HG2 GLU 82 2HG GLU 82 -8.321 5.228 13.196 626 HG3 GLU 82 1HG GLU 82 -8.431 6.984 13.222 Start of MODEL 12 1 H1 MET 1 1H MET 1 -9.487 3.961 18.808 2 H2 MET 1 2H MET 1 -9.702 4.803 20.255 3 H3 MET 1 3H MET 1 -9.917 3.128 20.216 4 HA MET 1 HA MET 1 -7.381 4.597 19.810 5 HB2 MET 1 2HB MET 1 -8.386 2.852 22.064 6 HB3 MET 1 1HB MET 1 -6.698 3.314 21.884 7 HG2 MET 1 2HG MET 1 -9.015 5.203 22.260 8 HG3 MET 1 1HG MET 1 -7.839 4.736 23.489 9 HE1 MET 1 3HE MET 1 -6.889 8.476 22.742 10 HE2 MET 1 1HE MET 1 -7.317 7.309 23.993 11 HE3 MET 1 2HE MET 1 -8.508 7.775 22.779 12 H ALA 2 H ALA 2 -6.512 3.639 18.065 13 HA ALA 2 HA ALA 2 -6.187 0.697 18.095 14 HB1 ALA 2 3HB ALA 2 -6.289 2.536 15.692 15 HB2 ALA 2 1HB ALA 2 -7.573 1.444 16.214 16 HB3 ALA 2 2HB ALA 2 -6.036 0.790 15.647 17 H GLY 3 H GLY 3 -4.635 3.542 16.567 18 HA2 GLY 3 2HA GLY 3 -2.469 4.311 16.709 19 HA3 GLY 3 1HA GLY 3 -2.176 3.141 17.976 20 HA PRO 4 HA PRO 4 0.688 1.696 14.853 21 HB2 PRO 4 2HB PRO 4 1.471 -0.345 16.820 22 HB3 PRO 4 1HB PRO 4 2.410 0.997 16.160 23 HG2 PRO 4 2HG PRO 4 1.557 0.980 18.712 24 HG3 PRO 4 1HG PRO 4 1.670 2.480 17.769 25 HD2 PRO 4 2HD PRO 4 -0.751 0.798 18.365 26 HD3 PRO 4 1HD PRO 4 -0.559 2.564 18.443 27 H GLU 5 H GLU 5 -2.123 0.364 15.116 28 HA GLU 5 HA GLU 5 -1.896 -2.397 14.707 29 HB2 GLU 5 2HB GLU 5 -3.902 -0.438 13.559 30 HB3 GLU 5 1HB GLU 5 -4.076 -2.186 13.487 31 HG2 GLU 5 2HG GLU 5 -3.912 -0.569 16.027 32 HG3 GLU 5 1HG GLU 5 -5.404 -1.147 15.288 33 H GLY 6 H GLY 6 -1.329 0.279 12.534 34 HA2 GLY 6 2HA GLY 6 0.195 -1.294 10.726 35 HA3 GLY 6 1HA GLY 6 -1.393 -0.963 10.045 36 H PHE 7 H PHE 7 0.076 0.087 8.412 37 HA PHE 7 HA PHE 7 0.489 2.916 9.129 38 HB2 PHE 7 2HB PHE 7 2.246 1.219 7.334 39 HB3 PHE 7 1HB PHE 7 2.420 2.954 7.569 40 HD1 PHE 7 HD2 PHE 7 2.867 -0.350 9.088 41 HD2 PHE 7 HD1 PHE 7 3.337 3.852 9.635 42 HE1 PHE 7 HE2 PHE 7 4.316 -0.768 11.030 43 HE2 PHE 7 HE1 PHE 7 4.790 3.437 11.578 44 HZ PHE 7 HZ PHE 7 5.280 1.124 12.277 45 H GLN 8 H GLN 8 -0.345 4.391 7.743 46 HA GLN 8 HA GLN 8 -1.893 3.383 5.466 47 HB2 GLN 8 2HB GLN 8 -2.006 5.989 6.991 48 HB3 GLN 8 1HB GLN 8 -2.946 5.680 5.538 49 HG2 GLN 8 2HG GLN 8 -4.097 3.852 6.625 50 HG3 GLN 8 1HG GLN 8 -3.104 4.048 8.068 51 HE21 GLN 8 1HE2 GLN 8 -6.013 4.209 7.728 52 HE22 GLN 8 2HE2 GLN 8 -6.464 5.769 8.310 53 H TYR 9 H TYR 9 -1.493 3.878 3.411 54 HA TYR 9 HA TYR 9 0.575 5.889 2.763 55 HB2 TYR 9 2HB TYR 9 -0.336 3.481 1.158 56 HB3 TYR 9 1HB TYR 9 0.881 4.642 0.640 57 HD1 TYR 9 HD1 TYR 9 0.165 1.842 2.910 58 HD2 TYR 9 HD2 TYR 9 3.118 4.618 1.599 59 HE1 TYR 9 HE1 TYR 9 1.908 0.492 3.996 60 HE2 TYR 9 HE2 TYR 9 4.869 3.274 2.685 61 HH TYR 9 HH TYR 9 4.353 0.116 3.774 62 H ARG 10 H ARG 10 0.185 6.935 0.513 63 HA ARG 10 HA ARG 10 -2.718 7.436 0.159 64 HB2 ARG 10 2HB ARG 10 -1.294 9.365 1.057 65 HB3 ARG 10 1HB ARG 10 -0.549 9.422 -0.535 66 HG2 ARG 10 2HG ARG 10 -3.002 9.594 -1.394 67 HG3 ARG 10 1HG ARG 10 -3.360 10.070 0.265 68 HD2 ARG 10 2HD ARG 10 -1.561 11.445 -1.723 69 HD3 ARG 10 1HD ARG 10 -3.030 12.066 -0.974 70 HE ARG 10 HE ARG 10 -0.413 11.770 0.323 71 HH11 ARG 10 1HH1 ARG 10 -3.626 13.012 0.356 72 HH12 ARG 10 2HH1 ARG 10 -3.313 14.081 1.680 73 HH21 ARG 10 1HH2 ARG 10 -0.011 13.167 2.000 74 HH22 ARG 10 2HH2 ARG 10 -1.282 14.177 2.593 75 H ALA 11 H ALA 11 -3.546 6.909 -1.778 76 HA ALA 11 HA ALA 11 -1.857 6.235 -4.030 77 HB1 ALA 11 3HB ALA 11 -3.876 4.941 -3.615 78 HB2 ALA 11 1HB ALA 11 -3.976 5.744 -5.182 79 HB3 ALA 11 2HB ALA 11 -4.868 6.386 -3.801 80 H LEU 12 H LEU 12 -1.067 7.728 -5.385 81 HA LEU 12 HA LEU 12 -1.967 10.445 -5.304 82 HB2 LEU 12 2HB LEU 12 0.008 9.138 -7.179 83 HB3 LEU 12 1HB LEU 12 -0.202 10.864 -6.947 84 HG LEU 12 HG LEU 12 0.813 8.902 -4.877 85 HD11 LEU 12 1HD1 LEU 12 2.933 10.088 -5.105 86 HD12 LEU 12 2HD1 LEU 12 2.239 11.115 -6.361 87 HD13 LEU 12 3HD1 LEU 12 2.437 9.385 -6.642 88 HD21 LEU 12 3HD2 LEU 12 -0.501 10.680 -3.828 89 HD22 LEU 12 1HD2 LEU 12 0.446 11.899 -4.682 90 HD23 LEU 12 2HD2 LEU 12 1.215 10.871 -3.472 91 H TYR 13 H TYR 13 -2.038 7.941 -7.855 92 HA TYR 13 HA TYR 13 -4.049 9.562 -9.288 93 HB2 TYR 13 2HB TYR 13 -1.730 7.993 -10.442 94 HB3 TYR 13 1HB TYR 13 -3.066 8.601 -11.418 95 HD1 TYR 13 HD1 TYR 13 -3.317 10.981 -11.847 96 HD2 TYR 13 HD2 TYR 13 -0.083 9.531 -9.489 97 HE1 TYR 13 HE1 TYR 13 -2.203 13.161 -12.048 98 HE2 TYR 13 HE2 TYR 13 1.040 11.708 -9.681 99 HH TYR 13 HH TYR 13 -0.546 14.489 -10.930 100 HA PRO 14 HA PRO 14 -6.638 5.985 -9.355 101 HB2 PRO 14 2HB PRO 14 -7.987 6.273 -11.696 102 HB3 PRO 14 1HB PRO 14 -8.282 7.285 -10.278 103 HG2 PRO 14 2HG PRO 14 -6.677 7.873 -12.733 104 HG3 PRO 14 1HG PRO 14 -7.770 8.935 -11.826 105 HD2 PRO 14 2HD PRO 14 -5.051 9.027 -11.587 106 HD3 PRO 14 1HD PRO 14 -6.163 9.478 -10.279 107 H PHE 15 H PHE 15 -6.195 3.918 -9.711 108 HA PHE 15 HA PHE 15 -5.069 3.094 -12.313 109 HB2 PHE 15 2HB PHE 15 -4.369 1.977 -9.581 110 HB3 PHE 15 1HB PHE 15 -3.779 1.347 -11.118 111 HD1 PHE 15 HD2 PHE 15 -2.581 3.133 -12.650 112 HD2 PHE 15 HD1 PHE 15 -3.043 3.480 -8.429 113 HE1 PHE 15 HE2 PHE 15 -0.692 4.706 -12.575 114 HE2 PHE 15 HE1 PHE 15 -1.158 5.059 -8.350 115 HZ PHE 15 HZ PHE 15 0.022 5.673 -10.423 116 H ARG 16 H ARG 16 -6.356 1.759 -13.374 117 HA ARG 16 HA ARG 16 -8.184 -0.013 -11.872 118 HB2 ARG 16 2HB ARG 16 -9.562 -0.104 -13.873 119 HB3 ARG 16 1HB ARG 16 -9.275 1.577 -13.441 120 HG2 ARG 16 2HG ARG 16 -7.558 1.739 -15.168 121 HG3 ARG 16 1HG ARG 16 -7.812 0.047 -15.590 122 HD2 ARG 16 2HD ARG 16 -10.199 0.634 -16.118 123 HD3 ARG 16 1HD ARG 16 -9.760 2.331 -15.904 124 HE ARG 16 HE ARG 16 -8.443 0.599 -17.894 125 HH11 ARG 16 1HH1 ARG 16 -9.927 3.580 -17.021 126 HH12 ARG 16 2HH1 ARG 16 -9.683 4.276 -18.583 127 HH21 ARG 16 1HH2 ARG 16 -8.129 1.492 -19.873 128 HH22 ARG 16 2HH2 ARG 16 -8.662 3.108 -20.186 129 H ARG 17 H ARG 17 -7.997 -2.204 -12.099 130 HA ARG 17 HA ARG 17 -6.068 -3.212 -14.085 131 HB2 ARG 17 2HB ARG 17 -5.909 -3.377 -11.128 132 HB3 ARG 17 1HB ARG 17 -5.471 -4.831 -12.015 133 HG2 ARG 17 2HG ARG 17 -4.279 -2.169 -12.729 134 HG3 ARG 17 1HG ARG 17 -3.617 -3.146 -11.420 135 HD2 ARG 17 2HD ARG 17 -3.504 -5.053 -13.115 136 HD3 ARG 17 1HD ARG 17 -3.817 -3.827 -14.344 137 HE ARG 17 HE ARG 17 -1.730 -2.780 -13.733 138 HH11 ARG 17 1HH1 ARG 17 -2.228 -5.930 -12.421 139 HH12 ARG 17 2HH1 ARG 17 -0.539 -6.234 -12.232 140 HH21 ARG 17 1HH2 ARG 17 0.429 -3.188 -13.472 141 HH22 ARG 17 2HH2 ARG 17 0.943 -4.700 -12.800 142 H GLU 18 H GLU 18 -7.065 -4.611 -15.336 143 HA GLU 18 HA GLU 18 -9.303 -6.196 -14.663 144 HB2 GLU 18 2HB GLU 18 -7.194 -6.608 -16.798 145 HB3 GLU 18 1HB GLU 18 -8.715 -7.487 -16.714 146 HG2 GLU 18 2HG GLU 18 -9.968 -5.463 -17.072 147 HG3 GLU 18 1HG GLU 18 -8.496 -4.495 -16.995 148 H ARG 19 H ARG 19 -5.889 -6.648 -14.197 149 HA ARG 19 HA ARG 19 -6.159 -9.401 -13.294 150 HB2 ARG 19 2HB ARG 19 -3.871 -7.505 -13.696 151 HB3 ARG 19 1HB ARG 19 -3.648 -8.892 -12.638 152 HG2 ARG 19 2HG ARG 19 -4.521 -9.049 -15.527 153 HG3 ARG 19 1HG ARG 19 -2.874 -9.307 -14.941 154 HD2 ARG 19 2HD ARG 19 -3.815 -11.115 -13.448 155 HD3 ARG 19 1HD ARG 19 -5.327 -10.952 -14.338 156 HE ARG 19 HE ARG 19 -3.843 -11.480 -16.362 157 HH11 ARG 19 1HH1 ARG 19 -3.326 -12.736 -13.191 158 HH12 ARG 19 2HH1 ARG 19 -2.595 -14.193 -13.774 159 HH21 ARG 19 1HH2 ARG 19 -2.874 -13.352 -17.084 160 HH22 ARG 19 2HH2 ARG 19 -2.346 -14.531 -15.932 161 HA PRO 20 HA PRO 20 -7.246 -7.836 -9.171 162 HB2 PRO 20 2HB PRO 20 -7.513 -10.320 -8.027 163 HB3 PRO 20 1HB PRO 20 -8.775 -9.529 -8.978 164 HG2 PRO 20 2HG PRO 20 -6.791 -11.613 -9.825 165 HG3 PRO 20 1HG PRO 20 -8.526 -11.505 -10.189 166 HD2 PRO 20 2HD PRO 20 -6.658 -10.765 -11.982 167 HD3 PRO 20 1HD PRO 20 -8.204 -9.900 -11.841 168 H GLU 21 H GLU 21 -4.445 -9.461 -10.174 169 HA GLU 21 HA GLU 21 -3.039 -9.888 -7.801 170 HB2 GLU 21 2HB GLU 21 -2.141 -10.588 -9.939 171 HB3 GLU 21 1HB GLU 21 -2.072 -8.924 -10.504 172 HG2 GLU 21 2HG GLU 21 -0.350 -8.419 -8.857 173 HG3 GLU 21 1HG GLU 21 -0.437 -10.068 -8.241 174 H ASP 22 H ASP 22 -3.583 -6.922 -9.630 175 HA ASP 22 HA ASP 22 -2.147 -5.294 -7.666 176 HB2 ASP 22 2HB ASP 22 -2.008 -5.026 -10.221 177 HB3 ASP 22 1HB ASP 22 -3.625 -4.345 -10.126 178 H LEU 23 H LEU 23 -4.006 -2.954 -8.051 179 HA LEU 23 HA LEU 23 -6.532 -3.846 -6.937 180 HB2 LEU 23 2HB LEU 23 -4.978 -3.924 -5.018 181 HB3 LEU 23 1HB LEU 23 -4.608 -2.229 -5.256 182 HG LEU 23 HG LEU 23 -6.940 -1.639 -4.710 183 HD11 LEU 23 1HD1 LEU 23 -7.280 -4.595 -4.194 184 HD12 LEU 23 2HD1 LEU 23 -8.058 -3.658 -5.471 185 HD13 LEU 23 3HD1 LEU 23 -8.448 -3.339 -3.781 186 HD21 LEU 23 3HD2 LEU 23 -5.583 -3.374 -2.643 187 HD22 LEU 23 1HD2 LEU 23 -6.841 -2.182 -2.318 188 HD23 LEU 23 2HD2 LEU 23 -5.274 -1.663 -2.935 189 H GLU 24 H GLU 24 -8.161 -2.415 -7.323 190 HA GLU 24 HA GLU 24 -7.883 -0.103 -8.862 191 HB2 GLU 24 2HB GLU 24 -10.064 -1.216 -7.150 192 HB3 GLU 24 1HB GLU 24 -10.211 0.456 -7.664 193 HG2 GLU 24 2HG GLU 24 -11.423 -0.938 -9.177 194 HG3 GLU 24 1HG GLU 24 -10.021 -0.274 -10.010 195 H LEU 25 H LEU 25 -6.605 1.567 -8.252 196 HA LEU 25 HA LEU 25 -6.923 2.681 -5.536 197 HB2 LEU 25 2HB LEU 25 -4.720 3.173 -7.550 198 HB3 LEU 25 1HB LEU 25 -4.787 3.823 -5.921 199 HG LEU 25 HG LEU 25 -4.450 0.919 -6.697 200 HD11 LEU 25 1HD1 LEU 25 -2.421 2.243 -6.941 201 HD12 LEU 25 2HD1 LEU 25 -2.280 1.125 -5.586 202 HD13 LEU 25 3HD1 LEU 25 -2.590 2.836 -5.287 203 HD21 LEU 25 3HD2 LEU 25 -5.871 1.054 -4.727 204 HD22 LEU 25 1HD2 LEU 25 -4.715 2.133 -3.943 205 HD23 LEU 25 2HD2 LEU 25 -4.271 0.462 -4.287 206 H LEU 26 H LEU 26 -7.441 4.828 -5.208 207 HA LEU 26 HA LEU 26 -8.377 6.326 -7.581 208 HB2 LEU 26 2HB LEU 26 -9.552 5.988 -4.841 209 HB3 LEU 26 1HB LEU 26 -9.893 7.454 -5.734 210 HG LEU 26 HG LEU 26 -11.698 5.833 -5.994 211 HD11 LEU 26 1HD1 LEU 26 -11.841 5.797 -8.433 212 HD12 LEU 26 2HD1 LEU 26 -10.124 6.189 -8.544 213 HD13 LEU 26 3HD1 LEU 26 -11.252 7.354 -7.847 214 HD21 LEU 26 3HD2 LEU 26 -11.388 3.715 -7.140 215 HD22 LEU 26 1HD2 LEU 26 -10.385 3.778 -5.691 216 HD23 LEU 26 2HD2 LEU 26 -9.655 4.021 -7.280 217 HA PRO 27 HA PRO 27 -5.581 9.592 -6.592 218 HB2 PRO 27 2HB PRO 27 -6.967 11.805 -7.395 219 HB3 PRO 27 1HB PRO 27 -6.233 10.659 -8.522 220 HG2 PRO 27 2HG PRO 27 -9.083 10.853 -7.608 221 HG3 PRO 27 1HG PRO 27 -8.447 10.582 -9.242 222 HD2 PRO 27 2HD PRO 27 -9.388 8.564 -7.714 223 HD3 PRO 27 1HD PRO 27 -8.043 8.339 -8.849 224 H GLY 28 H GLY 28 -5.125 10.120 -4.542 225 HA2 GLY 28 2HA GLY 28 -5.278 11.348 -2.562 226 HA3 GLY 28 1HA GLY 28 -6.882 11.883 -3.038 227 H ASP 29 H ASP 29 -6.219 8.500 -3.176 228 HA ASP 29 HA ASP 29 -8.036 8.008 -0.942 229 HB2 ASP 29 2HB ASP 29 -8.441 6.794 -3.013 230 HB3 ASP 29 1HB ASP 29 -6.801 6.153 -2.997 231 H VAL 30 H VAL 30 -7.496 6.261 0.622 232 HA VAL 30 HA VAL 30 -4.647 6.368 1.398 233 HB VAL 30 HB VAL 30 -7.068 6.101 3.203 234 HG11 VAL 30 1HG1 VAL 30 -5.180 4.891 4.117 235 HG12 VAL 30 2HG1 VAL 30 -5.433 6.369 5.044 236 HG13 VAL 30 3HG1 VAL 30 -4.123 6.281 3.865 237 HG21 VAL 30 3HG2 VAL 30 -5.171 8.426 2.789 238 HG22 VAL 30 1HG2 VAL 30 -6.452 8.350 3.999 239 HG23 VAL 30 2HG2 VAL 30 -6.858 8.354 2.285 240 H LEU 31 H LEU 31 -3.580 4.490 1.647 241 HA LEU 31 HA LEU 31 -5.102 1.973 1.452 242 HB2 LEU 31 2HB LEU 31 -2.236 2.604 0.731 243 HB3 LEU 31 1HB LEU 31 -2.906 0.982 0.726 244 HG LEU 31 HG LEU 31 -4.573 1.769 -1.000 245 HD11 LEU 31 1HD1 LEU 31 -4.067 3.791 -2.254 246 HD12 LEU 31 2HD1 LEU 31 -2.775 4.188 -1.123 247 HD13 LEU 31 3HD1 LEU 31 -4.451 4.166 -0.576 248 HD21 LEU 31 3HD2 LEU 31 -1.645 1.931 -1.714 249 HD22 LEU 31 1HD2 LEU 31 -2.969 1.683 -2.853 250 HD23 LEU 31 2HD2 LEU 31 -2.625 0.467 -1.625 251 H VAL 32 H VAL 32 -5.306 0.863 3.281 252 HA VAL 32 HA VAL 32 -3.499 1.413 5.520 253 HB VAL 32 HB VAL 32 -6.065 -0.201 5.471 254 HG11 VAL 32 1HG1 VAL 32 -4.586 -0.886 7.285 255 HG12 VAL 32 2HG1 VAL 32 -5.982 -0.012 7.919 256 HG13 VAL 32 3HG1 VAL 32 -4.416 0.793 7.803 257 HG21 VAL 32 3HG2 VAL 32 -6.428 2.178 4.953 258 HG22 VAL 32 1HG2 VAL 32 -5.587 2.625 6.440 259 HG23 VAL 32 2HG2 VAL 32 -7.110 1.737 6.518 260 H VAL 33 H VAL 33 -1.689 0.210 5.519 261 HA VAL 33 HA VAL 33 -1.885 -2.682 4.959 262 HB VAL 33 HB VAL 33 0.593 -0.941 5.131 263 HG11 VAL 33 1HG1 VAL 33 0.281 -3.835 4.311 264 HG12 VAL 33 2HG1 VAL 33 1.079 -3.240 5.768 265 HG13 VAL 33 3HG1 VAL 33 1.765 -2.891 4.181 266 HG21 VAL 33 3HG2 VAL 33 -0.758 -0.395 3.175 267 HG22 VAL 33 1HG2 VAL 33 -0.805 -2.099 2.715 268 HG23 VAL 33 2HG2 VAL 33 0.725 -1.221 2.697 269 H SER 34 H SER 34 -1.662 -4.125 6.600 270 HA SER 34 HA SER 34 -1.575 -3.185 9.298 271 HB2 SER 34 2HB SER 34 -1.793 -5.513 9.949 272 HB3 SER 34 1HB SER 34 -2.863 -5.201 8.585 273 HG SER 34 HG SER 34 -1.889 -6.917 7.815 274 H ARG 35 H ARG 35 0.020 -3.449 10.893 275 HA ARG 35 HA ARG 35 2.727 -3.369 10.142 276 HB2 ARG 35 2HB ARG 35 2.053 -2.505 12.300 277 HB3 ARG 35 1HB ARG 35 1.456 -4.082 12.798 278 HG2 ARG 35 2HG ARG 35 3.770 -4.958 12.695 279 HG3 ARG 35 1HG ARG 35 4.335 -3.338 12.293 280 HD2 ARG 35 2HD ARG 35 2.763 -3.915 14.794 281 HD3 ARG 35 1HD ARG 35 4.516 -4.086 14.728 282 HE ARG 35 HE ARG 35 3.649 -1.523 13.815 283 HH11 ARG 35 1HH1 ARG 35 4.208 -3.391 16.648 284 HH12 ARG 35 2HH1 ARG 35 4.600 -2.016 17.618 285 HH21 ARG 35 1HH2 ARG 35 4.177 0.253 15.079 286 HH22 ARG 35 2HH2 ARG 35 4.582 0.010 16.741 287 H ALA 36 H ALA 36 0.632 -6.050 11.051 288 HA ALA 36 HA ALA 36 2.499 -8.122 11.255 289 HB1 ALA 36 3HB ALA 36 -0.334 -8.288 10.216 290 HB2 ALA 36 1HB ALA 36 0.140 -8.341 11.913 291 HB3 ALA 36 2HB ALA 36 0.633 -9.633 10.818 292 H ALA 37 H ALA 37 0.787 -6.871 8.381 293 HA ALA 37 HA ALA 37 1.752 -8.683 6.490 294 HB1 ALA 37 3HB ALA 37 1.164 -5.752 6.056 295 HB2 ALA 37 1HB ALA 37 -0.037 -7.045 6.051 296 HB3 ALA 37 2HB ALA 37 1.222 -7.004 4.814 297 H LEU 38 H LEU 38 3.157 -5.555 7.489 298 HA LEU 38 HA LEU 38 5.422 -5.650 5.820 299 HB2 LEU 38 2HB LEU 38 5.094 -4.305 8.511 300 HB3 LEU 38 1HB LEU 38 6.411 -4.001 7.391 301 HG LEU 38 HG LEU 38 3.485 -3.401 6.897 302 HD11 LEU 38 1HD1 LEU 38 4.545 -1.868 8.485 303 HD12 LEU 38 2HD1 LEU 38 4.169 -1.065 6.961 304 HD13 LEU 38 3HD1 LEU 38 5.830 -1.544 7.319 305 HD21 LEU 38 3HD2 LEU 38 5.891 -2.891 5.137 306 HD22 LEU 38 1HD2 LEU 38 4.243 -2.343 4.823 307 HD23 LEU 38 2HD2 LEU 38 4.610 -4.067 4.832 308 H GLN 39 H GLN 39 5.016 -6.735 9.196 309 HA GLN 39 HA GLN 39 7.636 -7.678 9.604 310 HB2 GLN 39 2HB GLN 39 5.017 -8.631 10.795 311 HB3 GLN 39 1HB GLN 39 6.600 -9.140 11.368 312 HG2 GLN 39 2HG GLN 39 5.605 -6.293 11.340 313 HG3 GLN 39 1HG GLN 39 5.584 -7.359 12.743 314 HE21 GLN 39 1HE2 GLN 39 6.949 -4.804 12.354 315 HE22 GLN 39 2HE2 GLN 39 8.624 -5.112 12.639 316 H ALA 40 H ALA 40 4.802 -9.245 8.170 317 HA ALA 40 HA ALA 40 5.952 -11.816 7.816 318 HB1 ALA 40 3HB ALA 40 3.747 -10.486 6.237 319 HB2 ALA 40 1HB ALA 40 3.538 -11.423 7.716 320 HB3 ALA 40 2HB ALA 40 4.119 -12.210 6.249 321 H LEU 41 H LEU 41 5.804 -8.956 5.705 322 HA LEU 41 HA LEU 41 7.182 -10.080 3.492 323 HB2 LEU 41 2HB LEU 41 7.020 -7.196 4.400 324 HB3 LEU 41 1HB LEU 41 7.610 -7.725 2.836 325 HG LEU 41 HG LEU 41 4.781 -8.139 3.828 326 HD11 LEU 41 1HD1 LEU 41 4.161 -6.371 2.256 327 HD12 LEU 41 2HD1 LEU 41 5.863 -6.110 1.869 328 HD13 LEU 41 3HD1 LEU 41 5.261 -5.768 3.492 329 HD21 LEU 41 3HD2 LEU 41 5.437 -9.832 2.220 330 HD22 LEU 41 1HD2 LEU 41 6.047 -8.594 1.123 331 HD23 LEU 41 2HD2 LEU 41 4.318 -8.694 1.466 332 H GLY 42 H GLY 42 8.263 -9.047 6.583 333 HA2 GLY 42 2HA GLY 42 10.384 -9.299 7.513 334 HA3 GLY 42 1HA GLY 42 11.029 -9.635 5.914 335 H VAL 43 H VAL 43 9.070 -6.815 6.330 336 HA VAL 43 HA VAL 43 11.150 -5.064 5.488 337 HB VAL 43 HB VAL 43 8.476 -4.354 6.725 338 HG11 VAL 43 1HG1 VAL 43 8.769 -2.187 5.603 339 HG12 VAL 43 2HG1 VAL 43 10.375 -2.681 5.069 340 HG13 VAL 43 3HG1 VAL 43 10.040 -2.480 6.790 341 HG21 VAL 43 3HG2 VAL 43 9.254 -4.652 3.816 342 HG22 VAL 43 1HG2 VAL 43 7.693 -4.083 4.413 343 HG23 VAL 43 2HG2 VAL 43 8.206 -5.741 4.729 344 H ALA 44 H ALA 44 12.855 -4.752 6.785 345 HA ALA 44 HA ALA 44 12.799 -4.833 9.613 346 HB1 ALA 44 3HB ALA 44 14.916 -3.675 7.799 347 HB2 ALA 44 1HB ALA 44 14.791 -5.365 8.287 348 HB3 ALA 44 2HB ALA 44 15.120 -4.121 9.493 349 H GLU 45 H GLU 45 12.979 -3.209 11.150 350 HA GLU 45 HA GLU 45 11.550 -0.848 10.770 351 HB2 GLU 45 2HB GLU 45 13.617 -1.495 12.888 352 HB3 GLU 45 1HB GLU 45 12.484 -0.149 12.969 353 HG2 GLU 45 2HG GLU 45 10.609 -1.746 12.925 354 HG3 GLU 45 1HG GLU 45 11.765 -3.077 12.899 355 H GLY 46 H GLY 46 12.084 0.697 9.367 356 HA2 GLY 46 2HA GLY 46 13.767 2.624 9.206 357 HA3 GLY 46 1HA GLY 46 14.939 1.341 8.940 358 H GLY 47 H GLY 47 12.660 -0.119 7.455 359 HA2 GLY 47 2HA GLY 47 13.179 1.168 4.855 360 HA3 GLY 47 1HA GLY 47 12.701 -0.503 5.098 361 H GLU 48 H GLU 48 10.630 0.863 7.090 362 HA GLU 48 HA GLU 48 8.407 0.597 5.364 363 HB2 GLU 48 2HB GLU 48 7.041 1.280 7.224 364 HB3 GLU 48 1HB GLU 48 8.330 0.262 7.840 365 HG2 GLU 48 2HG GLU 48 8.270 3.275 7.982 366 HG3 GLU 48 1HG GLU 48 7.857 2.180 9.298 367 H ARG 49 H ARG 49 10.353 3.330 6.269 368 HA ARG 49 HA ARG 49 8.601 5.322 5.136 369 HB2 ARG 49 2HB ARG 49 11.445 5.370 6.142 370 HB3 ARG 49 1HB ARG 49 10.667 6.789 5.452 371 HG2 ARG 49 2HG ARG 49 9.107 6.931 7.202 372 HG3 ARG 49 1HG ARG 49 9.440 5.286 7.747 373 HD2 ARG 49 2HD ARG 49 11.500 7.482 7.821 374 HD3 ARG 49 1HD ARG 49 10.397 7.164 9.160 375 HE ARG 49 HE ARG 49 11.381 4.891 9.232 376 HH11 ARG 49 1HH1 ARG 49 13.189 7.383 7.686 377 HH12 ARG 49 2HH1 ARG 49 14.709 6.662 8.085 378 HH21 ARG 49 1HH2 ARG 49 13.323 4.019 9.774 379 HH22 ARG 49 2HH2 ARG 49 14.790 4.790 9.273 380 H CYS 50 H CYS 50 10.105 2.969 3.576 381 HA CYS 50 HA CYS 50 10.434 4.600 1.153 382 HB2 CYS 50 2HB CYS 50 12.703 4.203 1.972 383 HB3 CYS 50 1HB CYS 50 12.392 2.472 2.054 384 HG CYS 50 HG CYS 50 14.070 3.245 -0.159 385 HA PRO 51 HA PRO 51 7.559 0.953 0.699 386 HB2 PRO 51 2HB PRO 51 5.828 2.252 -0.999 387 HB3 PRO 51 1HB PRO 51 5.695 2.277 0.762 388 HG2 PRO 51 2HG PRO 51 6.895 4.320 -1.076 389 HG3 PRO 51 1HG PRO 51 5.853 4.562 0.340 390 HD2 PRO 51 2HD PRO 51 8.516 4.927 0.474 391 HD3 PRO 51 1HD PRO 51 7.601 4.253 1.839 392 H GLN 52 H GLN 52 8.878 3.099 -1.807 393 HA GLN 52 HA GLN 52 8.365 1.376 -3.985 394 HB2 GLN 52 2HB GLN 52 10.023 2.763 -5.226 395 HB3 GLN 52 1HB GLN 52 8.771 3.690 -4.421 396 HG2 GLN 52 2HG GLN 52 10.676 4.930 -4.010 397 HG3 GLN 52 1HG GLN 52 10.497 3.993 -2.530 398 HE21 GLN 52 1HE2 GLN 52 12.707 4.278 -2.079 399 HE22 GLN 52 2HE2 GLN 52 13.926 3.390 -2.924 400 H SER 53 H SER 53 10.988 1.449 -1.662 401 HA SER 53 HA SER 53 12.710 -0.340 -3.112 402 HB2 SER 53 2HB SER 53 13.574 1.187 -1.349 403 HB3 SER 53 1HB SER 53 12.681 0.273 -0.136 404 HG SER 53 HG SER 53 14.071 -1.366 -0.314 405 H VAL 54 H VAL 54 10.215 -0.713 -0.630 406 HA VAL 54 HA VAL 54 10.597 -3.488 -0.172 407 HB VAL 54 HB VAL 54 8.044 -1.888 0.157 408 HG11 VAL 54 1HG1 VAL 54 8.910 -4.502 1.406 409 HG12 VAL 54 2HG1 VAL 54 7.632 -4.286 0.210 410 HG13 VAL 54 3HG1 VAL 54 7.450 -3.604 1.826 411 HG21 VAL 54 3HG2 VAL 54 9.877 -0.855 1.391 412 HG22 VAL 54 1HG2 VAL 54 10.266 -2.404 2.143 413 HG23 VAL 54 2HG2 VAL 54 8.733 -1.608 2.501 414 H GLY 55 H GLY 55 8.486 -1.698 -2.416 415 HA2 GLY 55 2HA GLY 55 8.027 -2.455 -4.619 416 HA3 GLY 55 1HA GLY 55 8.383 -4.095 -4.111 417 H TRP 56 H TRP 56 6.588 -5.241 -4.528 418 HA TRP 56 HA TRP 56 3.941 -4.168 -4.339 419 HB2 TRP 56 2HB TRP 56 5.015 -6.950 -4.809 420 HB3 TRP 56 1HB TRP 56 3.289 -6.626 -4.688 421 HD1 TRP 56 HD1 TRP 56 6.285 -5.364 -6.843 422 HE1 TRP 56 HE1 TRP 56 5.406 -4.944 -9.229 423 HE3 TRP 56 HE3 TRP 56 1.345 -6.460 -6.093 424 HZ2 TRP 56 HZ2 TRP 56 2.941 -5.072 -10.610 425 HZ3 TRP 56 HZ3 TRP 56 -0.209 -6.290 -7.996 426 HH2 TRP 56 HH2 TRP 56 0.576 -5.609 -10.206 427 H MET 57 H MET 57 2.854 -3.853 -2.514 428 HA MET 57 HA MET 57 3.280 -5.693 -0.239 429 HB2 MET 57 2HB MET 57 2.591 -2.745 -0.110 430 HB3 MET 57 1HB MET 57 2.802 -3.816 1.268 431 HG2 MET 57 2HG MET 57 5.147 -4.135 0.671 432 HG3 MET 57 1HG MET 57 4.942 -3.069 -0.718 433 HE1 MET 57 3HE MET 57 3.018 -0.827 0.446 434 HE2 MET 57 1HE MET 57 4.442 -0.463 -0.528 435 HE3 MET 57 2HE MET 57 4.189 0.370 1.006 436 HA PRO 58 HA PRO 58 -1.174 -6.295 -0.476 437 HB2 PRO 58 2HB PRO 58 -1.513 -7.763 1.757 438 HB3 PRO 58 1HB PRO 58 -0.692 -8.412 0.330 439 HG2 PRO 58 2HG PRO 58 0.490 -7.305 2.853 440 HG3 PRO 58 1HG PRO 58 0.955 -8.756 1.946 441 HD2 PRO 58 2HD PRO 58 2.265 -6.352 1.755 442 HD3 PRO 58 1HD PRO 58 2.228 -7.559 0.452 443 H GLY 59 H GLY 59 -2.616 -4.694 -0.034 444 HA2 GLY 59 2HA GLY 59 -2.881 -3.741 2.735 445 HA3 GLY 59 1HA GLY 59 -2.526 -2.549 1.498 446 H LEU 60 H LEU 60 -4.715 -2.183 2.985 447 HA LEU 60 HA LEU 60 -7.048 -3.163 1.502 448 HB2 LEU 60 2HB LEU 60 -7.131 -3.319 3.930 449 HB3 LEU 60 1HB LEU 60 -6.797 -1.604 4.080 450 HG LEU 60 HG LEU 60 -8.983 -1.123 2.970 451 HD11 LEU 60 1HD1 LEU 60 -10.631 -2.909 2.763 452 HD12 LEU 60 2HD1 LEU 60 -9.417 -4.097 3.243 453 HD13 LEU 60 3HD1 LEU 60 -9.231 -3.206 1.731 454 HD21 LEU 60 3HD2 LEU 60 -8.778 -1.101 5.407 455 HD22 LEU 60 1HD2 LEU 60 -9.154 -2.823 5.463 456 HD23 LEU 60 2HD2 LEU 60 -10.368 -1.671 4.905 457 H ASN 61 H ASN 61 -8.168 -1.921 0.109 458 HA ASN 61 HA ASN 61 -7.417 0.865 -0.316 459 HB2 ASN 61 2HB ASN 61 -7.706 -0.565 -2.267 460 HB3 ASN 61 1HB ASN 61 -9.346 -0.970 -1.767 461 HD21 ASN 61 1HD2 ASN 61 -7.290 1.541 -3.035 462 HD22 ASN 61 2HD2 ASN 61 -8.561 2.545 -3.618 463 H GLU 62 H GLU 62 -8.438 2.484 0.769 464 HA GLU 62 HA GLU 62 -10.653 1.967 2.470 465 HB2 GLU 62 2HB GLU 62 -9.305 4.536 1.646 466 HB3 GLU 62 1HB GLU 62 -10.642 4.496 2.786 467 HG2 GLU 62 2HG GLU 62 -8.066 2.979 3.172 468 HG3 GLU 62 1HG GLU 62 -8.367 4.590 3.818 469 H ARG 63 H ARG 63 -10.583 2.943 -0.868 470 HA ARG 63 HA ARG 63 -13.177 4.171 -0.883 471 HB2 ARG 63 2HB ARG 63 -11.658 2.921 -3.185 472 HB3 ARG 63 1HB ARG 63 -13.082 3.937 -3.339 473 HG2 ARG 63 2HG ARG 63 -10.336 4.745 -2.404 474 HG3 ARG 63 1HG ARG 63 -11.168 5.243 -3.874 475 HD2 ARG 63 2HD ARG 63 -11.420 7.088 -2.490 476 HD3 ARG 63 1HD ARG 63 -12.941 6.230 -2.260 477 HE ARG 63 HE ARG 63 -10.719 5.825 -0.383 478 HH11 ARG 63 1HH1 ARG 63 -13.964 6.858 -0.962 479 HH12 ARG 63 2HH1 ARG 63 -14.288 7.089 0.723 480 HH21 ARG 63 1HH2 ARG 63 -11.169 6.119 1.747 481 HH22 ARG 63 2HH2 ARG 63 -12.729 6.678 2.233 482 H THR 64 H THR 64 -12.112 1.047 -2.236 483 HA THR 64 HA THR 64 -14.880 0.161 -2.465 484 HB THR 64 HB THR 64 -13.956 -1.763 -3.692 485 HG1 THR 64 HG1 THR 64 -11.372 -0.747 -3.755 486 HG21 THR 64 3HG2 THR 64 -12.777 0.881 -4.584 487 HG22 THR 64 1HG2 THR 64 -14.409 0.306 -4.934 488 HG23 THR 64 2HG2 THR 64 -13.013 -0.538 -5.605 489 H ARG 65 H ARG 65 -12.231 -0.283 -0.324 490 HA ARG 65 HA ARG 65 -11.853 -1.561 1.495 491 HB2 ARG 65 2HB ARG 65 -14.785 -2.060 1.156 492 HB3 ARG 65 1HB ARG 65 -13.881 -3.057 2.288 493 HG2 ARG 65 2HG ARG 65 -14.888 -1.206 3.457 494 HG3 ARG 65 1HG ARG 65 -13.134 -1.028 3.462 495 HD2 ARG 65 2HD ARG 65 -13.413 0.505 1.463 496 HD3 ARG 65 1HD ARG 65 -15.147 0.473 1.794 497 HE ARG 65 HE ARG 65 -13.162 1.414 3.761 498 HH11 ARG 65 1HH1 ARG 65 -16.200 1.712 2.182 499 HH12 ARG 65 2HH1 ARG 65 -16.605 3.179 2.998 500 HH21 ARG 65 1HH2 ARG 65 -13.687 3.291 4.805 501 HH22 ARG 65 2HH2 ARG 65 -15.183 4.078 4.453 502 H GLN 66 H GLN 66 -11.705 -2.585 -1.390 503 HA GLN 66 HA GLN 66 -11.579 -5.457 -0.953 504 HB2 GLN 66 2HB GLN 66 -10.717 -3.758 -3.309 505 HB3 GLN 66 1HB GLN 66 -10.673 -5.514 -3.275 506 HG2 GLN 66 2HG GLN 66 -13.155 -3.816 -3.045 507 HG3 GLN 66 1HG GLN 66 -12.614 -4.666 -4.491 508 HE21 GLN 66 1HE2 GLN 66 -12.746 -6.932 -4.545 509 HE22 GLN 66 2HE2 GLN 66 -13.757 -7.804 -3.451 510 H ARG 67 H ARG 67 -9.788 -6.607 -0.438 511 HA ARG 67 HA ARG 67 -7.320 -5.137 0.141 512 HB2 ARG 67 2HB ARG 67 -8.074 -8.000 0.790 513 HB3 ARG 67 1HB ARG 67 -6.648 -7.151 1.372 514 HG2 ARG 67 2HG ARG 67 -8.055 -5.600 2.615 515 HG3 ARG 67 1HG ARG 67 -9.501 -6.399 1.998 516 HD2 ARG 67 2HD ARG 67 -7.398 -7.586 3.809 517 HD3 ARG 67 1HD ARG 67 -9.060 -7.181 4.239 518 HE ARG 67 HE ARG 67 -8.204 -9.413 2.530 519 HH11 ARG 67 1HH1 ARG 67 -10.704 -7.774 4.244 520 HH12 ARG 67 2HH1 ARG 67 -11.782 -9.121 4.180 521 HH21 ARG 67 1HH2 ARG 67 -9.597 -11.120 2.428 522 HH22 ARG 67 2HH2 ARG 67 -11.167 -11.000 3.143 523 H GLY 68 H GLY 68 -5.569 -5.251 -1.146 524 HA2 GLY 68 2HA GLY 68 -5.089 -7.618 -2.792 525 HA3 GLY 68 1HA GLY 68 -5.368 -6.118 -3.663 526 H ASP 69 H ASP 69 -3.177 -6.623 -4.486 527 HA ASP 69 HA ASP 69 -1.062 -5.692 -2.649 528 HB2 ASP 69 2HB ASP 69 -1.115 -7.698 -4.819 529 HB3 ASP 69 1HB ASP 69 0.288 -6.636 -4.842 530 H PHE 70 H PHE 70 0.452 -4.135 -3.406 531 HA PHE 70 HA PHE 70 0.003 -2.824 -5.954 532 HB2 PHE 70 2HB PHE 70 -0.363 -0.594 -4.994 533 HB3 PHE 70 1HB PHE 70 -1.646 -1.702 -4.525 534 HD1 PHE 70 HD1 PHE 70 -1.762 -2.557 -2.206 535 HD2 PHE 70 HD2 PHE 70 1.096 0.386 -3.363 536 HE1 PHE 70 HE1 PHE 70 -1.385 -1.996 0.159 537 HE2 PHE 70 HE2 PHE 70 1.478 0.946 -0.998 538 HZ PHE 70 HZ PHE 70 0.239 -0.243 0.766 539 HA PRO 71 HA PRO 71 4.421 -2.177 -5.406 540 HB2 PRO 71 2HB PRO 71 4.220 -0.265 -7.634 541 HB3 PRO 71 1HB PRO 71 5.097 -1.795 -7.548 542 HG2 PRO 71 2HG PRO 71 2.885 -1.490 -9.065 543 HG3 PRO 71 1HG PRO 71 3.290 -3.027 -8.279 544 HD2 PRO 71 2HD PRO 71 1.310 -0.930 -7.440 545 HD3 PRO 71 1HD PRO 71 1.151 -2.702 -7.424 546 H GLY 72 H GLY 72 5.154 -0.911 -3.800 547 HA2 GLY 72 2HA GLY 72 3.953 1.358 -2.777 548 HA3 GLY 72 1HA GLY 72 5.633 0.930 -2.514 549 H THR 73 H THR 73 6.032 1.217 -5.545 550 HA THR 73 HA THR 73 7.067 3.821 -5.558 551 HB THR 73 HB THR 73 7.907 2.125 -7.085 552 HG1 THR 73 HG1 THR 73 7.764 4.540 -7.655 553 HG21 THR 73 3HG2 THR 73 5.232 2.360 -8.478 554 HG22 THR 73 1HG2 THR 73 5.843 0.950 -7.611 555 HG23 THR 73 2HG2 THR 73 6.631 1.481 -9.098 556 H TYR 74 H TYR 74 3.802 2.842 -6.015 557 HA TYR 74 HA TYR 74 3.121 5.286 -7.502 558 HB2 TYR 74 2HB TYR 74 1.426 2.883 -6.785 559 HB3 TYR 74 1HB TYR 74 0.859 4.271 -7.707 560 HD1 TYR 74 HD2 TYR 74 2.291 4.828 -9.861 561 HD2 TYR 74 HD1 TYR 74 2.202 1.027 -7.946 562 HE1 TYR 74 HE2 TYR 74 3.042 3.764 -11.948 563 HE2 TYR 74 HE1 TYR 74 2.955 -0.045 -10.024 564 HH TYR 74 HH TYR 74 2.915 0.414 -12.447 565 H VAL 75 H VAL 75 3.426 4.463 -4.300 566 HA VAL 75 HA VAL 75 1.330 6.383 -3.484 567 HB VAL 75 HB VAL 75 0.882 5.061 -1.461 568 HG11 VAL 75 1HG1 VAL 75 -0.362 3.223 -2.516 569 HG12 VAL 75 2HG1 VAL 75 0.532 3.481 -4.015 570 HG13 VAL 75 3HG1 VAL 75 -0.552 4.734 -3.408 571 HG21 VAL 75 3HG2 VAL 75 3.046 3.934 -1.249 572 HG22 VAL 75 1HG2 VAL 75 2.705 2.984 -2.695 573 HG23 VAL 75 2HG2 VAL 75 1.726 2.764 -1.244 574 H GLU 76 H GLU 76 1.691 7.444 -1.417 575 HA GLU 76 HA GLU 76 4.547 7.592 -0.659 576 HB2 GLU 76 2HB GLU 76 4.132 9.823 0.168 577 HB3 GLU 76 1HB GLU 76 3.509 9.715 -1.473 578 HG2 GLU 76 2HG GLU 76 1.256 9.564 -0.686 579 HG3 GLU 76 1HG GLU 76 1.794 9.412 0.984 580 H PHE 77 H PHE 77 5.103 7.647 1.577 581 HA PHE 77 HA PHE 77 3.323 6.134 3.292 582 HB2 PHE 77 2HB PHE 77 5.667 5.567 3.348 583 HB3 PHE 77 1HB PHE 77 6.113 7.229 3.713 584 HD1 PHE 77 HD2 PHE 77 3.789 4.652 5.153 585 HD2 PHE 77 HD1 PHE 77 6.810 7.576 5.872 586 HE1 PHE 77 HE2 PHE 77 3.712 4.148 7.558 587 HE2 PHE 77 HE1 PHE 77 6.725 7.072 8.279 588 HZ PHE 77 HZ PHE 77 5.174 5.356 9.125 589 H LEU 78 H LEU 78 1.821 7.047 4.554 590 HA LEU 78 HA LEU 78 1.972 9.893 5.197 591 HB2 LEU 78 2HB LEU 78 -0.208 7.867 5.725 592 HB3 LEU 78 1HB LEU 78 -0.327 9.584 6.059 593 HG LEU 78 HG LEU 78 -0.030 8.335 3.316 594 HD11 LEU 78 1HD1 LEU 78 -2.395 9.671 4.629 595 HD12 LEU 78 2HD1 LEU 78 -2.231 7.951 4.274 596 HD13 LEU 78 3HD1 LEU 78 -2.317 9.116 2.954 597 HD21 LEU 78 3HD2 LEU 78 -0.374 11.228 4.119 598 HD22 LEU 78 1HD2 LEU 78 -0.418 10.610 2.468 599 HD23 LEU 78 2HD2 LEU 78 1.069 10.504 3.409 600 H GLY 79 H GLY 79 1.225 6.932 7.072 601 HA2 GLY 79 2HA GLY 79 3.057 6.996 9.050 602 HA3 GLY 79 1HA GLY 79 1.954 8.268 9.551 603 HA PRO 80 HA PRO 80 0.357 4.206 11.225 604 HB2 PRO 80 2HB PRO 80 0.239 4.913 13.834 605 HB3 PRO 80 1HB PRO 80 1.723 4.308 13.084 606 HG2 PRO 80 2HG PRO 80 0.912 7.144 13.648 607 HG3 PRO 80 1HG PRO 80 2.475 6.353 13.929 608 HD2 PRO 80 2HD PRO 80 1.993 7.934 11.767 609 HD3 PRO 80 1HD PRO 80 3.123 6.565 11.723 610 H LEU 81 H LEU 81 -1.670 3.893 12.620 611 HA LEU 81 HA LEU 81 -3.670 5.861 11.769 612 HB2 LEU 81 2HB LEU 81 -3.970 3.020 12.762 613 HB3 LEU 81 1HB LEU 81 -5.321 4.071 12.382 614 HG LEU 81 HG LEU 81 -4.396 4.241 10.029 615 HD11 LEU 81 1HD1 LEU 81 -2.913 2.419 9.288 616 HD12 LEU 81 2HD1 LEU 81 -2.668 1.960 10.974 617 HD13 LEU 81 3HD1 LEU 81 -2.126 3.538 10.400 618 HD21 LEU 81 3HD2 LEU 81 -6.323 2.865 10.537 619 HD22 LEU 81 1HD2 LEU 81 -5.272 1.526 11.009 620 HD23 LEU 81 2HD2 LEU 81 -5.302 2.077 9.332 621 H GLU 82 H GLU 82 -5.462 6.391 13.248 622 HA GLU 82 HA GLU 82 -4.482 6.767 15.993 623 HB2 GLU 82 2HB GLU 82 -6.786 8.111 14.565 624 HB3 GLU 82 1HB GLU 82 -6.218 8.496 16.185 625 HG2 GLU 82 2HG GLU 82 -4.001 9.088 15.166 626 HG3 GLU 82 1HG GLU 82 -4.756 8.906 13.582 Start of MODEL 13 1 H1 MET 1 1H MET 1 -11.899 3.338 23.172 2 H2 MET 1 2H MET 1 -11.831 1.727 22.663 3 H3 MET 1 3H MET 1 -11.701 2.974 21.534 4 HA MET 1 HA MET 1 -9.621 3.693 22.496 5 HB2 MET 1 2HB MET 1 -10.031 1.301 24.311 6 HB3 MET 1 1HB MET 1 -8.529 2.207 24.189 7 HG2 MET 1 2HG MET 1 -9.646 4.210 25.011 8 HG3 MET 1 1HG MET 1 -11.177 3.342 25.084 9 HE1 MET 1 3HE MET 1 -10.230 0.489 26.184 10 HE2 MET 1 1HE MET 1 -11.663 1.339 26.764 11 HE3 MET 1 2HE MET 1 -10.479 0.719 27.915 12 H ALA 2 H ALA 2 -8.598 3.298 20.623 13 HA ALA 2 HA ALA 2 -8.577 0.587 19.509 14 HB1 ALA 2 3HB ALA 2 -9.299 2.419 18.064 15 HB2 ALA 2 1HB ALA 2 -7.837 1.655 17.437 16 HB3 ALA 2 2HB ALA 2 -7.736 3.210 18.268 17 H GLY 3 H GLY 3 -6.559 -0.092 18.342 18 HA2 GLY 3 2HA GLY 3 -4.055 0.870 19.564 19 HA3 GLY 3 1HA GLY 3 -4.444 -0.841 19.671 20 HA PRO 4 HA PRO 4 -3.840 1.022 14.956 21 HB2 PRO 4 2HB PRO 4 -1.075 1.783 15.263 22 HB3 PRO 4 1HB PRO 4 -2.445 2.787 14.790 23 HG2 PRO 4 2HG PRO 4 -1.192 2.434 17.448 24 HG3 PRO 4 1HG PRO 4 -2.103 3.813 16.804 25 HD2 PRO 4 2HD PRO 4 -3.161 2.206 18.665 26 HD3 PRO 4 1HD PRO 4 -4.163 2.868 17.353 27 H GLU 5 H GLU 5 -3.890 -1.068 14.255 28 HA GLU 5 HA GLU 5 -1.498 -2.737 14.523 29 HB2 GLU 5 2HB GLU 5 -4.006 -3.484 13.014 30 HB3 GLU 5 1HB GLU 5 -2.797 -4.549 13.714 31 HG2 GLU 5 2HG GLU 5 -4.350 -4.818 15.322 32 HG3 GLU 5 1HG GLU 5 -3.664 -3.321 15.951 33 H GLY 6 H GLY 6 -3.282 -0.890 12.129 34 HA2 GLY 6 2HA GLY 6 -1.455 -1.813 10.000 35 HA3 GLY 6 1HA GLY 6 -3.043 -1.114 9.739 36 H PHE 7 H PHE 7 -0.575 -0.355 8.495 37 HA PHE 7 HA PHE 7 -0.216 2.404 9.476 38 HB2 PHE 7 2HB PHE 7 1.500 0.673 7.681 39 HB3 PHE 7 1HB PHE 7 1.782 2.396 7.907 40 HD1 PHE 7 HD2 PHE 7 1.314 -0.714 9.935 41 HD2 PHE 7 HD1 PHE 7 3.257 3.057 9.551 42 HE1 PHE 7 HE2 PHE 7 2.633 -1.190 11.953 43 HE2 PHE 7 HE1 PHE 7 4.580 2.587 11.570 44 HZ PHE 7 HZ PHE 7 4.270 0.458 12.775 45 H GLN 8 H GLN 8 -0.130 4.131 7.853 46 HA GLN 8 HA GLN 8 -2.221 3.695 5.828 47 HB2 GLN 8 2HB GLN 8 -1.296 6.234 7.185 48 HB3 GLN 8 1HB GLN 8 -2.542 6.163 5.948 49 HG2 GLN 8 2HG GLN 8 -3.911 4.757 7.426 50 HG3 GLN 8 1HG GLN 8 -2.658 4.858 8.662 51 HE21 GLN 8 1HE2 GLN 8 -5.467 5.772 8.696 52 HE22 GLN 8 2HE2 GLN 8 -5.386 7.447 9.106 53 H TYR 9 H TYR 9 -1.644 3.622 3.773 54 HA TYR 9 HA TYR 9 0.589 5.304 2.803 55 HB2 TYR 9 2HB TYR 9 -0.731 2.877 1.547 56 HB3 TYR 9 1HB TYR 9 0.504 3.853 0.758 57 HD1 TYR 9 HD1 TYR 9 -0.111 1.676 3.717 58 HD2 TYR 9 HD2 TYR 9 2.796 3.427 1.142 59 HE1 TYR 9 HE1 TYR 9 1.632 0.286 4.752 60 HE2 TYR 9 HE2 TYR 9 4.547 2.042 2.174 61 HH TYR 9 HH TYR 9 3.843 -0.586 4.245 62 H ARG 10 H ARG 10 0.158 6.135 0.452 63 HA ARG 10 HA ARG 10 -2.644 6.724 -0.089 64 HB2 ARG 10 2HB ARG 10 -2.185 8.509 1.424 65 HB3 ARG 10 1HB ARG 10 -0.645 8.861 0.655 66 HG2 ARG 10 2HG ARG 10 -1.685 9.831 -1.226 67 HG3 ARG 10 1HG ARG 10 -3.262 9.167 -0.793 68 HD2 ARG 10 2HD ARG 10 -1.783 11.182 0.899 69 HD3 ARG 10 1HD ARG 10 -2.964 11.627 -0.335 70 HE ARG 10 HE ARG 10 -4.217 9.789 1.302 71 HH11 ARG 10 1HH1 ARG 10 -2.808 12.923 1.692 72 HH12 ARG 10 2HH1 ARG 10 -3.885 13.354 2.974 73 HH21 ARG 10 1HH2 ARG 10 -5.608 10.407 2.937 74 HH22 ARG 10 2HH2 ARG 10 -5.431 11.967 3.663 75 H ALA 11 H ALA 11 -2.979 6.504 -2.189 76 HA ALA 11 HA ALA 11 -0.807 6.457 -4.089 77 HB1 ALA 11 3HB ALA 11 -2.629 4.834 -4.225 78 HB2 ALA 11 1HB ALA 11 -2.523 5.793 -5.702 79 HB3 ALA 11 2HB ALA 11 -3.782 6.137 -4.513 80 H LEU 12 H LEU 12 -0.621 7.755 -5.976 81 HA LEU 12 HA LEU 12 -1.649 10.487 -5.608 82 HB2 LEU 12 2HB LEU 12 0.601 9.480 -7.357 83 HB3 LEU 12 1HB LEU 12 0.147 11.163 -7.150 84 HG LEU 12 HG LEU 12 1.246 9.345 -4.992 85 HD11 LEU 12 1HD1 LEU 12 3.216 10.787 -5.084 86 HD12 LEU 12 2HD1 LEU 12 2.506 11.680 -6.429 87 HD13 LEU 12 3HD1 LEU 12 2.933 9.979 -6.626 88 HD21 LEU 12 3HD2 LEU 12 -0.349 10.983 -4.094 89 HD22 LEU 12 1HD2 LEU 12 0.562 12.286 -4.858 90 HD23 LEU 12 2HD2 LEU 12 1.302 11.324 -3.578 91 H TYR 13 H TYR 13 -1.770 7.812 -7.863 92 HA TYR 13 HA TYR 13 -3.621 9.345 -9.560 93 HB2 TYR 13 2HB TYR 13 -1.331 7.633 -10.567 94 HB3 TYR 13 1HB TYR 13 -2.599 8.302 -11.590 95 HD1 TYR 13 HD1 TYR 13 -2.805 10.816 -11.777 96 HD2 TYR 13 HD2 TYR 13 0.564 8.940 -9.965 97 HE1 TYR 13 HE1 TYR 13 -1.518 12.893 -12.030 98 HE2 TYR 13 HE2 TYR 13 1.859 11.016 -10.216 99 HH TYR 13 HH TYR 13 0.447 13.984 -10.914 100 HA PRO 14 HA PRO 14 -6.130 5.735 -9.121 101 HB2 PRO 14 2HB PRO 14 -7.871 6.056 -11.168 102 HB3 PRO 14 1HB PRO 14 -7.888 7.084 -9.728 103 HG2 PRO 14 2HG PRO 14 -6.710 7.626 -12.435 104 HG3 PRO 14 1HG PRO 14 -7.647 8.709 -11.388 105 HD2 PRO 14 2HD PRO 14 -4.920 8.792 -11.571 106 HD3 PRO 14 1HD PRO 14 -5.808 9.258 -10.107 107 H PHE 15 H PHE 15 -5.658 3.689 -9.560 108 HA PHE 15 HA PHE 15 -5.435 2.776 -12.342 109 HB2 PHE 15 2HB PHE 15 -3.395 2.122 -10.192 110 HB3 PHE 15 1HB PHE 15 -3.482 1.330 -11.758 111 HD1 PHE 15 HD2 PHE 15 -3.201 2.803 -13.847 112 HD2 PHE 15 HD1 PHE 15 -2.114 4.054 -9.919 113 HE1 PHE 15 HE2 PHE 15 -1.707 4.511 -14.803 114 HE2 PHE 15 HE1 PHE 15 -0.622 5.760 -10.873 115 HZ PHE 15 HZ PHE 15 -0.416 5.990 -13.317 116 H ARG 16 H ARG 16 -7.086 1.313 -12.482 117 HA ARG 16 HA ARG 16 -7.361 -0.622 -10.259 118 HB2 ARG 16 2HB ARG 16 -9.698 -0.805 -10.665 119 HB3 ARG 16 1HB ARG 16 -9.328 0.911 -10.596 120 HG2 ARG 16 2HG ARG 16 -9.436 1.060 -13.018 121 HG3 ARG 16 1HG ARG 16 -9.720 -0.679 -13.132 122 HD2 ARG 16 2HD ARG 16 -11.532 1.438 -11.989 123 HD3 ARG 16 1HD ARG 16 -11.848 0.342 -13.336 124 HE ARG 16 HE ARG 16 -11.615 -0.560 -10.530 125 HH11 ARG 16 1HH1 ARG 16 -13.147 -0.723 -13.624 126 HH12 ARG 16 2HH1 ARG 16 -14.258 -1.944 -13.108 127 HH21 ARG 16 1HH2 ARG 16 -12.997 -2.123 -9.914 128 HH22 ARG 16 2HH2 ARG 16 -14.168 -2.739 -11.032 129 H ARG 17 H ARG 17 -7.562 -2.825 -10.749 130 HA ARG 17 HA ARG 17 -7.109 -3.573 -13.562 131 HB2 ARG 17 2HB ARG 17 -5.416 -4.393 -11.197 132 HB3 ARG 17 1HB ARG 17 -5.357 -5.208 -12.753 133 HG2 ARG 17 2HG ARG 17 -4.919 -2.249 -12.608 134 HG3 ARG 17 1HG ARG 17 -3.619 -3.355 -12.168 135 HD2 ARG 17 2HD ARG 17 -3.441 -2.673 -14.502 136 HD3 ARG 17 1HD ARG 17 -3.745 -4.403 -14.371 137 HE ARG 17 HE ARG 17 -6.213 -3.448 -14.742 138 HH11 ARG 17 1HH1 ARG 17 -3.269 -2.758 -16.394 139 HH12 ARG 17 2HH1 ARG 17 -4.063 -2.487 -17.907 140 HH21 ARG 17 1HH2 ARG 17 -7.209 -3.135 -16.697 141 HH22 ARG 17 2HH2 ARG 17 -6.253 -2.687 -18.070 142 H GLU 18 H GLU 18 -7.814 -5.558 -14.192 143 HA GLU 18 HA GLU 18 -9.818 -6.901 -12.626 144 HB2 GLU 18 2HB GLU 18 -10.159 -6.743 -14.986 145 HB3 GLU 18 1HB GLU 18 -8.560 -7.382 -15.330 146 HG2 GLU 18 2HG GLU 18 -9.350 -9.559 -14.301 147 HG3 GLU 18 1HG GLU 18 -10.976 -8.870 -14.330 148 H ARG 19 H ARG 19 -6.464 -7.469 -13.504 149 HA ARG 19 HA ARG 19 -6.446 -10.221 -12.620 150 HB2 ARG 19 2HB ARG 19 -4.083 -8.473 -13.338 151 HB3 ARG 19 1HB ARG 19 -4.122 -10.231 -13.277 152 HG2 ARG 19 2HG ARG 19 -5.575 -8.461 -15.239 153 HG3 ARG 19 1HG ARG 19 -4.181 -9.486 -15.572 154 HD2 ARG 19 2HD ARG 19 -6.914 -10.450 -14.717 155 HD3 ARG 19 1HD ARG 19 -6.280 -10.487 -16.360 156 HE ARG 19 HE ARG 19 -4.444 -11.863 -14.873 157 HH11 ARG 19 1HH1 ARG 19 -7.836 -12.140 -15.368 158 HH12 ARG 19 2HH1 ARG 19 -7.826 -13.861 -15.249 159 HH21 ARG 19 1HH2 ARG 19 -4.440 -14.061 -14.696 160 HH22 ARG 19 2HH2 ARG 19 -5.918 -14.939 -14.901 161 HA PRO 20 HA PRO 20 -5.585 -9.475 -8.367 162 HB2 PRO 20 2HB PRO 20 -4.402 -11.823 -7.673 163 HB3 PRO 20 1HB PRO 20 -6.129 -11.674 -8.020 164 HG2 PRO 20 2HG PRO 20 -3.917 -12.638 -9.804 165 HG3 PRO 20 1HG PRO 20 -5.535 -13.325 -9.558 166 HD2 PRO 20 2HD PRO 20 -4.921 -11.778 -11.698 167 HD3 PRO 20 1HD PRO 20 -6.540 -11.786 -10.965 168 H GLU 21 H GLU 21 -3.132 -9.345 -10.589 169 HA GLU 21 HA GLU 21 -0.873 -9.414 -8.804 170 HB2 GLU 21 2HB GLU 21 -1.158 -8.408 -11.642 171 HB3 GLU 21 1HB GLU 21 0.357 -8.381 -10.754 172 HG2 GLU 21 2HG GLU 21 0.497 -10.291 -12.065 173 HG3 GLU 21 1HG GLU 21 0.048 -10.902 -10.475 174 H ASP 22 H ASP 22 -3.301 -7.137 -9.246 175 HA ASP 22 HA ASP 22 -1.614 -4.997 -8.126 176 HB2 ASP 22 2HB ASP 22 -3.582 -4.664 -10.402 177 HB3 ASP 22 1HB ASP 22 -2.773 -3.341 -9.570 178 H LEU 23 H LEU 23 -3.030 -3.095 -7.404 179 HA LEU 23 HA LEU 23 -5.657 -3.956 -6.381 180 HB2 LEU 23 2HB LEU 23 -4.055 -4.005 -4.530 181 HB3 LEU 23 1HB LEU 23 -3.565 -2.358 -4.884 182 HG LEU 23 HG LEU 23 -5.813 -1.549 -4.264 183 HD11 LEU 23 1HD1 LEU 23 -6.362 -4.439 -3.569 184 HD12 LEU 23 2HD1 LEU 23 -7.144 -3.498 -4.841 185 HD13 LEU 23 3HD1 LEU 23 -7.397 -3.075 -3.148 186 HD21 LEU 23 3HD2 LEU 23 -4.528 -3.277 -2.142 187 HD22 LEU 23 1HD2 LEU 23 -5.642 -1.938 -1.857 188 HD23 LEU 23 2HD2 LEU 23 -4.057 -1.630 -2.564 189 H GLU 24 H GLU 24 -7.240 -2.321 -6.246 190 HA GLU 24 HA GLU 24 -7.055 -0.295 -8.240 191 HB2 GLU 24 2HB GLU 24 -9.187 -0.667 -6.122 192 HB3 GLU 24 1HB GLU 24 -9.340 0.265 -7.606 193 HG2 GLU 24 2HG GLU 24 -9.048 -1.798 -8.917 194 HG3 GLU 24 1HG GLU 24 -8.946 -2.720 -7.419 195 H LEU 25 H LEU 25 -5.804 1.445 -7.922 196 HA LEU 25 HA LEU 25 -5.733 2.774 -5.303 197 HB2 LEU 25 2HB LEU 25 -4.011 3.162 -7.759 198 HB3 LEU 25 1HB LEU 25 -3.797 4.004 -6.234 199 HG LEU 25 HG LEU 25 -3.488 1.024 -6.662 200 HD11 LEU 25 1HD1 LEU 25 -1.666 2.284 -7.666 201 HD12 LEU 25 2HD1 LEU 25 -1.112 1.431 -6.226 202 HD13 LEU 25 3HD1 LEU 25 -1.420 3.166 -6.158 203 HD21 LEU 25 3HD2 LEU 25 -3.040 2.692 -4.185 204 HD22 LEU 25 1HD2 LEU 25 -2.675 0.974 -4.358 205 HD23 LEU 25 2HD2 LEU 25 -4.346 1.532 -4.436 206 H LEU 26 H LEU 26 -6.252 4.935 -5.012 207 HA LEU 26 HA LEU 26 -7.531 6.345 -7.281 208 HB2 LEU 26 2HB LEU 26 -8.453 6.065 -4.427 209 HB3 LEU 26 1HB LEU 26 -8.950 7.440 -5.390 210 HG LEU 26 HG LEU 26 -10.708 5.804 -5.414 211 HD11 LEU 26 1HD1 LEU 26 -10.966 5.412 -7.810 212 HD12 LEU 26 2HD1 LEU 26 -9.264 5.800 -8.062 213 HD13 LEU 26 3HD1 LEU 26 -10.374 7.039 -7.479 214 HD21 LEU 26 3HD2 LEU 26 -10.438 3.542 -6.243 215 HD22 LEU 26 1HD2 LEU 26 -9.358 3.820 -4.876 216 HD23 LEU 26 2HD2 LEU 26 -8.720 3.821 -6.521 217 HA PRO 27 HA PRO 27 -4.849 9.759 -6.373 218 HB2 PRO 27 2HB PRO 27 -6.359 11.910 -7.051 219 HB3 PRO 27 1HB PRO 27 -5.708 10.783 -8.249 220 HG2 PRO 27 2HG PRO 27 -8.462 10.892 -7.056 221 HG3 PRO 27 1HG PRO 27 -7.986 10.682 -8.753 222 HD2 PRO 27 2HD PRO 27 -8.705 8.595 -7.182 223 HD3 PRO 27 1HD PRO 27 -7.493 8.441 -8.471 224 H GLY 28 H GLY 28 -4.405 9.955 -4.213 225 HA2 GLY 28 2HA GLY 28 -4.392 11.146 -2.213 226 HA3 GLY 28 1HA GLY 28 -5.848 11.978 -2.727 227 H ASP 29 H ASP 29 -5.336 8.482 -2.424 228 HA ASP 29 HA ASP 29 -7.571 8.365 -0.526 229 HB2 ASP 29 2HB ASP 29 -7.661 5.962 -1.080 230 HB3 ASP 29 1HB ASP 29 -7.805 6.976 -2.508 231 H VAL 30 H VAL 30 -7.353 6.472 1.116 232 HA VAL 30 HA VAL 30 -4.599 6.359 2.183 233 HB VAL 30 HB VAL 30 -7.200 6.295 3.741 234 HG11 VAL 30 1HG1 VAL 30 -4.351 6.070 4.732 235 HG12 VAL 30 2HG1 VAL 30 -5.563 4.790 4.744 236 HG13 VAL 30 3HG1 VAL 30 -5.784 6.221 5.750 237 HG21 VAL 30 3HG2 VAL 30 -4.974 8.345 3.683 238 HG22 VAL 30 1HG2 VAL 30 -6.394 8.394 4.731 239 HG23 VAL 30 2HG2 VAL 30 -6.582 8.537 2.983 240 H LEU 31 H LEU 31 -3.729 4.371 2.517 241 HA LEU 31 HA LEU 31 -5.513 2.031 2.243 242 HB2 LEU 31 2HB LEU 31 -2.615 2.285 1.419 243 HB3 LEU 31 1HB LEU 31 -3.528 0.790 1.393 244 HG LEU 31 HG LEU 31 -5.137 2.034 -0.214 245 HD11 LEU 31 1HD1 LEU 31 -4.085 3.788 -1.562 246 HD12 LEU 31 2HD1 LEU 31 -2.694 3.789 -0.478 247 HD13 LEU 31 3HD1 LEU 31 -4.278 4.285 0.120 248 HD21 LEU 31 3HD2 LEU 31 -3.782 1.403 -2.138 249 HD22 LEU 31 1HD2 LEU 31 -3.694 0.182 -0.870 250 HD23 LEU 31 2HD2 LEU 31 -2.349 1.299 -1.112 251 H VAL 32 H VAL 32 -5.697 0.815 3.999 252 HA VAL 32 HA VAL 32 -3.796 1.121 6.200 253 HB VAL 32 HB VAL 32 -6.433 -0.372 6.118 254 HG11 VAL 32 1HG1 VAL 32 -4.955 -1.261 7.837 255 HG12 VAL 32 2HG1 VAL 32 -6.274 -0.354 8.579 256 HG13 VAL 32 3HG1 VAL 32 -4.667 0.364 8.461 257 HG21 VAL 32 3HG2 VAL 32 -6.742 2.033 5.791 258 HG22 VAL 32 1HG2 VAL 32 -5.786 2.365 7.236 259 HG23 VAL 32 2HG2 VAL 32 -7.337 1.537 7.374 260 H VAL 33 H VAL 33 -2.074 -0.191 6.169 261 HA VAL 33 HA VAL 33 -2.403 -2.983 5.246 262 HB VAL 33 HB VAL 33 0.154 -1.365 5.410 263 HG11 VAL 33 1HG1 VAL 33 -0.382 -4.092 4.217 264 HG12 VAL 33 2HG1 VAL 33 0.552 -3.755 5.675 265 HG13 VAL 33 3HG1 VAL 33 1.138 -3.206 4.106 266 HG21 VAL 33 3HG2 VAL 33 -1.317 -0.478 3.683 267 HG22 VAL 33 1HG2 VAL 33 -1.524 -2.092 3.004 268 HG23 VAL 33 2HG2 VAL 33 0.055 -1.310 2.951 269 H SER 34 H SER 34 -2.421 -4.481 6.821 270 HA SER 34 HA SER 34 -1.872 -4.002 9.530 271 HB2 SER 34 2HB SER 34 -1.837 -6.660 8.064 272 HB3 SER 34 1HB SER 34 -1.947 -6.456 9.812 273 HG SER 34 HG SER 34 -3.917 -6.482 8.037 274 H ARG 35 H ARG 35 -0.010 -3.888 10.668 275 HA ARG 35 HA ARG 35 2.503 -3.803 9.522 276 HB2 ARG 35 2HB ARG 35 1.999 -2.869 11.729 277 HB3 ARG 35 1HB ARG 35 1.836 -4.489 12.394 278 HG2 ARG 35 2HG ARG 35 4.170 -4.934 12.060 279 HG3 ARG 35 1HG ARG 35 4.378 -3.422 11.171 280 HD2 ARG 35 2HD ARG 35 5.202 -3.274 13.491 281 HD3 ARG 35 1HD ARG 35 3.898 -2.136 13.163 282 HE ARG 35 HE ARG 35 3.331 -4.698 14.487 283 HH11 ARG 35 1HH1 ARG 35 3.370 -1.257 14.547 284 HH12 ARG 35 2HH1 ARG 35 2.415 -1.161 15.984 285 HH21 ARG 35 1HH2 ARG 35 2.118 -4.557 16.354 286 HH22 ARG 35 2HH2 ARG 35 1.713 -2.996 16.984 287 H ALA 36 H ALA 36 0.862 -6.594 10.916 288 HA ALA 36 HA ALA 36 2.896 -8.463 10.973 289 HB1 ALA 36 3HB ALA 36 0.037 -8.947 10.136 290 HB2 ALA 36 1HB ALA 36 0.627 -8.878 11.797 291 HB3 ALA 36 2HB ALA 36 1.173 -10.163 10.719 292 H ALA 37 H ALA 37 0.901 -7.516 8.176 293 HA ALA 37 HA ALA 37 1.949 -9.296 6.281 294 HB1 ALA 37 3HB ALA 37 1.097 -7.747 4.593 295 HB2 ALA 37 1HB ALA 37 0.925 -6.488 5.818 296 HB3 ALA 37 2HB ALA 37 -0.066 -7.944 5.905 297 H LEU 38 H LEU 38 3.023 -6.026 7.188 298 HA LEU 38 HA LEU 38 5.159 -5.820 5.353 299 HB2 LEU 38 2HB LEU 38 4.870 -4.548 8.083 300 HB3 LEU 38 1HB LEU 38 6.014 -4.052 6.848 301 HG LEU 38 HG LEU 38 2.999 -3.902 6.603 302 HD11 LEU 38 1HD1 LEU 38 3.881 -2.290 8.210 303 HD12 LEU 38 2HD1 LEU 38 3.297 -1.487 6.753 304 HD13 LEU 38 3HD1 LEU 38 5.030 -1.703 7.006 305 HD21 LEU 38 3HD2 LEU 38 3.433 -2.643 4.548 306 HD22 LEU 38 1HD2 LEU 38 4.077 -4.282 4.444 307 HD23 LEU 38 2HD2 LEU 38 5.165 -2.925 4.735 308 H GLN 39 H GLN 39 5.068 -6.960 8.718 309 HA GLN 39 HA GLN 39 7.819 -7.579 8.938 310 HB2 GLN 39 2HB GLN 39 5.449 -8.727 10.433 311 HB3 GLN 39 1HB GLN 39 7.132 -8.929 10.903 312 HG2 GLN 39 2HG GLN 39 5.693 -6.281 10.705 313 HG3 GLN 39 1HG GLN 39 5.979 -7.176 12.197 314 HE21 GLN 39 1HE2 GLN 39 8.037 -7.222 13.068 315 HE22 GLN 39 2HE2 GLN 39 9.299 -6.172 12.532 316 H ALA 40 H ALA 40 5.146 -9.311 7.514 317 HA ALA 40 HA ALA 40 6.503 -11.831 7.258 318 HB1 ALA 40 3HB ALA 40 4.056 -11.681 7.193 319 HB2 ALA 40 1HB ALA 40 4.689 -12.420 5.724 320 HB3 ALA 40 2HB ALA 40 4.148 -10.742 5.703 321 H LEU 41 H LEU 41 6.003 -9.034 5.136 322 HA LEU 41 HA LEU 41 7.449 -10.035 2.902 323 HB2 LEU 41 2HB LEU 41 6.953 -7.165 3.729 324 HB3 LEU 41 1HB LEU 41 7.476 -7.694 2.141 325 HG LEU 41 HG LEU 41 4.822 -8.437 3.385 326 HD11 LEU 41 1HD1 LEU 41 4.904 -6.046 3.003 327 HD12 LEU 41 2HD1 LEU 41 3.845 -6.816 1.822 328 HD13 LEU 41 3HD1 LEU 41 5.467 -6.304 1.352 329 HD21 LEU 41 3HD2 LEU 41 5.606 -10.046 1.722 330 HD22 LEU 41 1HD2 LEU 41 5.862 -8.739 0.562 331 HD23 LEU 41 2HD2 LEU 41 4.232 -9.127 1.111 332 H GLY 42 H GLY 42 8.421 -8.483 5.867 333 HA2 GLY 42 2HA GLY 42 10.648 -8.640 6.717 334 HA3 GLY 42 1HA GLY 42 11.249 -8.725 5.069 335 H VAL 43 H VAL 43 8.865 -6.332 5.897 336 HA VAL 43 HA VAL 43 10.643 -4.196 5.146 337 HB VAL 43 HB VAL 43 7.832 -4.012 6.265 338 HG11 VAL 43 1HG1 VAL 43 9.045 -1.907 6.440 339 HG12 VAL 43 2HG1 VAL 43 7.798 -1.792 5.199 340 HG13 VAL 43 3HG1 VAL 43 9.488 -1.995 4.735 341 HG21 VAL 43 3HG2 VAL 43 8.767 -4.117 3.386 342 HG22 VAL 43 1HG2 VAL 43 7.114 -3.800 3.915 343 HG23 VAL 43 2HG2 VAL 43 7.857 -5.366 4.239 344 H ALA 44 H ALA 44 12.226 -3.802 6.612 345 HA ALA 44 HA ALA 44 11.806 -3.874 9.448 346 HB1 ALA 44 3HB ALA 44 14.171 -2.825 7.889 347 HB2 ALA 44 1HB ALA 44 13.959 -4.483 8.450 348 HB3 ALA 44 2HB ALA 44 14.134 -3.174 9.617 349 H GLU 45 H GLU 45 11.891 -2.162 10.933 350 HA GLU 45 HA GLU 45 10.452 0.120 10.513 351 HB2 GLU 45 2HB GLU 45 11.140 -0.732 12.726 352 HB3 GLU 45 1HB GLU 45 12.779 -0.173 12.428 353 HG2 GLU 45 2HG GLU 45 11.941 2.144 12.307 354 HG3 GLU 45 1HG GLU 45 10.321 1.554 12.678 355 H GLY 46 H GLY 46 10.759 2.097 9.644 356 HA2 GLY 46 2HA GLY 46 12.085 3.949 8.892 357 HA3 GLY 46 1HA GLY 46 13.470 2.877 8.766 358 H GLY 47 H GLY 47 12.593 0.809 7.261 359 HA2 GLY 47 2HA GLY 47 12.520 1.803 4.611 360 HA3 GLY 47 1HA GLY 47 12.207 0.142 5.091 361 H GLU 48 H GLU 48 10.024 1.090 6.884 362 HA GLU 48 HA GLU 48 7.727 0.825 5.386 363 HB2 GLU 48 2HB GLU 48 6.567 1.831 7.308 364 HB3 GLU 48 1HB GLU 48 7.821 0.717 7.843 365 HG2 GLU 48 2HG GLU 48 9.323 2.774 8.061 366 HG3 GLU 48 1HG GLU 48 7.850 3.724 7.896 367 H ARG 49 H ARG 49 9.680 3.694 5.882 368 HA ARG 49 HA ARG 49 7.685 5.510 4.801 369 HB2 ARG 49 2HB ARG 49 10.566 6.038 5.573 370 HB3 ARG 49 1HB ARG 49 9.346 7.257 5.218 371 HG2 ARG 49 2HG ARG 49 8.052 6.543 7.171 372 HG3 ARG 49 1HG ARG 49 9.263 5.310 7.527 373 HD2 ARG 49 2HD ARG 49 9.681 8.302 7.527 374 HD3 ARG 49 1HD ARG 49 9.594 7.255 8.943 375 HE ARG 49 HE ARG 49 11.691 6.708 6.988 376 HH11 ARG 49 1HH1 ARG 49 10.812 7.992 10.059 377 HH12 ARG 49 2HH1 ARG 49 12.444 8.060 10.622 378 HH21 ARG 49 1HH2 ARG 49 13.773 6.796 7.715 379 HH22 ARG 49 2HH2 ARG 49 14.107 7.357 9.315 380 H CYS 50 H CYS 50 9.447 3.298 3.320 381 HA CYS 50 HA CYS 50 9.645 4.835 0.843 382 HB2 CYS 50 2HB CYS 50 11.891 4.983 1.905 383 HB3 CYS 50 1HB CYS 50 11.983 3.226 1.911 384 HG CYS 50 HG CYS 50 13.269 5.040 -0.260 385 HA PRO 51 HA PRO 51 7.820 0.489 0.617 386 HB2 PRO 51 2HB PRO 51 5.696 1.187 -0.972 387 HB3 PRO 51 1HB PRO 51 5.663 1.249 0.793 388 HG2 PRO 51 2HG PRO 51 6.148 3.469 -1.166 389 HG3 PRO 51 1HG PRO 51 5.133 3.463 0.290 390 HD2 PRO 51 2HD PRO 51 7.582 4.570 0.300 391 HD3 PRO 51 1HD PRO 51 6.953 3.702 1.716 392 H GLN 52 H GLN 52 8.912 2.790 -1.695 393 HA GLN 52 HA GLN 52 8.553 1.405 -4.110 394 HB2 GLN 52 2HB GLN 52 10.313 2.850 -5.001 395 HB3 GLN 52 1HB GLN 52 9.209 3.772 -3.987 396 HG2 GLN 52 2HG GLN 52 10.812 3.702 -2.154 397 HG3 GLN 52 1HG GLN 52 11.913 2.740 -3.136 398 HE21 GLN 52 1HE2 GLN 52 12.995 3.733 -4.864 399 HE22 GLN 52 2HE2 GLN 52 13.140 5.450 -4.972 400 H SER 53 H SER 53 10.685 0.763 -1.485 401 HA SER 53 HA SER 53 12.672 -0.669 -3.030 402 HB2 SER 53 2HB SER 53 13.326 0.490 -0.965 403 HB3 SER 53 1HB SER 53 12.245 -0.544 -0.032 404 HG SER 53 HG SER 53 13.628 -2.298 -1.160 405 H VAL 54 H VAL 54 9.596 -1.474 -1.853 406 HA VAL 54 HA VAL 54 10.243 -4.340 -1.624 407 HB VAL 54 HB VAL 54 7.664 -2.915 -0.928 408 HG11 VAL 54 1HG1 VAL 54 7.070 -5.006 0.225 409 HG12 VAL 54 2HG1 VAL 54 8.546 -5.755 -0.382 410 HG13 VAL 54 3HG1 VAL 54 7.285 -5.251 -1.508 411 HG21 VAL 54 3HG2 VAL 54 9.479 -2.223 0.549 412 HG22 VAL 54 1HG2 VAL 54 9.875 -3.913 0.875 413 HG23 VAL 54 2HG2 VAL 54 8.334 -3.248 1.412 414 H GLY 55 H GLY 55 7.633 -2.349 -3.080 415 HA2 GLY 55 2HA GLY 55 7.276 -2.594 -5.517 416 HA3 GLY 55 1HA GLY 55 7.525 -4.317 -5.297 417 H TRP 56 H TRP 56 5.886 -5.513 -4.054 418 HA TRP 56 HA TRP 56 3.219 -4.238 -4.254 419 HB2 TRP 56 2HB TRP 56 3.858 -7.177 -4.645 420 HB3 TRP 56 1HB TRP 56 2.279 -6.417 -4.817 421 HD1 TRP 56 HD1 TRP 56 2.820 -4.044 -6.715 422 HE1 TRP 56 HE1 TRP 56 3.614 -4.416 -9.137 423 HE3 TRP 56 HE3 TRP 56 4.752 -8.750 -6.222 424 HZ2 TRP 56 HZ2 TRP 56 4.878 -6.439 -10.639 425 HZ3 TRP 56 HZ3 TRP 56 5.731 -9.840 -8.202 426 HH2 TRP 56 HH2 TRP 56 5.791 -8.706 -10.366 427 H MET 57 H MET 57 2.327 -3.925 -2.304 428 HA MET 57 HA MET 57 2.741 -5.981 -0.218 429 HB2 MET 57 2HB MET 57 2.239 -3.025 0.237 430 HB3 MET 57 1HB MET 57 2.499 -4.244 1.479 431 HG2 MET 57 2HG MET 57 4.518 -3.031 1.249 432 HG3 MET 57 1HG MET 57 4.780 -4.616 0.528 433 HE1 MET 57 3HE MET 57 4.102 -0.812 -0.170 434 HE2 MET 57 1HE MET 57 2.787 -1.608 -1.033 435 HE3 MET 57 2HE MET 57 4.059 -0.781 -1.930 436 HA PRO 58 HA PRO 58 -1.723 -6.376 -0.357 437 HB2 PRO 58 2HB PRO 58 -2.085 -7.975 1.781 438 HB3 PRO 58 1HB PRO 58 -1.305 -8.553 0.303 439 HG2 PRO 58 2HG PRO 58 -0.050 -7.646 2.872 440 HG3 PRO 58 1HG PRO 58 0.344 -9.061 1.877 441 HD2 PRO 58 2HD PRO 58 1.761 -6.719 1.789 442 HD3 PRO 58 1HD PRO 58 1.620 -7.825 0.409 443 H GLY 59 H GLY 59 -3.014 -4.683 0.161 444 HA2 GLY 59 2HA GLY 59 -3.269 -3.920 2.997 445 HA3 GLY 59 1HA GLY 59 -2.854 -2.676 1.833 446 H LEU 60 H LEU 60 -5.015 -2.261 3.328 447 HA LEU 60 HA LEU 60 -7.368 -2.966 1.702 448 HB2 LEU 60 2HB LEU 60 -7.521 -3.481 4.087 449 HB3 LEU 60 1HB LEU 60 -7.142 -1.818 4.494 450 HG LEU 60 HG LEU 60 -9.271 -1.107 3.405 451 HD11 LEU 60 1HD1 LEU 60 -10.965 -2.775 2.872 452 HD12 LEU 60 2HD1 LEU 60 -9.820 -4.070 3.223 453 HD13 LEU 60 3HD1 LEU 60 -9.534 -2.983 1.862 454 HD21 LEU 60 3HD2 LEU 60 -9.536 -3.137 5.628 455 HD22 LEU 60 1HD2 LEU 60 -10.748 -1.931 5.190 456 HD23 LEU 60 2HD2 LEU 60 -9.180 -1.419 5.812 457 H ASN 61 H ASN 61 -8.173 -1.469 0.344 458 HA ASN 61 HA ASN 61 -7.164 1.254 0.400 459 HB2 ASN 61 2HB ASN 61 -7.393 -0.029 -1.715 460 HB3 ASN 61 1HB ASN 61 -9.139 -0.056 -1.493 461 HD21 ASN 61 1HD2 ASN 61 -6.391 1.861 -2.319 462 HD22 ASN 61 2HD2 ASN 61 -7.261 3.226 -2.912 463 H GLU 62 H GLU 62 -8.233 3.015 1.214 464 HA GLU 62 HA GLU 62 -10.739 2.595 2.588 465 HB2 GLU 62 2HB GLU 62 -8.889 4.959 2.375 466 HB3 GLU 62 1HB GLU 62 -10.435 5.063 3.202 467 HG2 GLU 62 2HG GLU 62 -8.242 3.124 3.912 468 HG3 GLU 62 1HG GLU 62 -8.523 4.666 4.715 469 H ARG 63 H ARG 63 -10.194 3.317 -0.606 470 HA ARG 63 HA ARG 63 -12.634 4.957 -0.828 471 HB2 ARG 63 2HB ARG 63 -10.659 4.158 -2.978 472 HB3 ARG 63 1HB ARG 63 -12.047 5.208 -3.211 473 HG2 ARG 63 2HG ARG 63 -9.709 5.808 -1.406 474 HG3 ARG 63 1HG ARG 63 -9.913 6.427 -3.043 475 HD2 ARG 63 2HD ARG 63 -10.629 8.160 -1.617 476 HD3 ARG 63 1HD ARG 63 -12.106 7.429 -2.240 477 HE ARG 63 HE ARG 63 -11.640 6.135 0.113 478 HH11 ARG 63 1HH1 ARG 63 -12.024 9.441 -0.789 479 HH12 ARG 63 2HH1 ARG 63 -12.663 9.884 0.756 480 HH21 ARG 63 1HH2 ARG 63 -12.479 6.716 2.059 481 HH22 ARG 63 2HH2 ARG 63 -12.940 8.361 2.338 482 H THR 64 H THR 64 -11.262 1.926 -2.112 483 HA THR 64 HA THR 64 -13.909 1.092 -3.066 484 HB THR 64 HB THR 64 -12.758 -0.746 -4.187 485 HG1 THR 64 HG1 THR 64 -10.349 -0.659 -4.044 486 HG21 THR 64 3HG2 THR 64 -12.825 1.415 -5.345 487 HG22 THR 64 1HG2 THR 64 -11.345 0.535 -5.729 488 HG23 THR 64 2HG2 THR 64 -11.302 1.876 -4.585 489 H ARG 65 H ARG 65 -11.686 0.451 -0.491 490 HA ARG 65 HA ARG 65 -11.630 -0.983 1.247 491 HB2 ARG 65 2HB ARG 65 -14.558 -1.027 0.587 492 HB3 ARG 65 1HB ARG 65 -13.927 -2.111 1.823 493 HG2 ARG 65 2HG ARG 65 -13.525 0.882 1.844 494 HG3 ARG 65 1HG ARG 65 -14.827 0.049 2.701 495 HD2 ARG 65 2HD ARG 65 -13.293 -1.098 4.108 496 HD3 ARG 65 1HD ARG 65 -11.916 -0.631 3.114 497 HE ARG 65 HE ARG 65 -11.892 1.436 4.136 498 HH11 ARG 65 1HH1 ARG 65 -14.688 -0.310 5.141 499 HH12 ARG 65 2HH1 ARG 65 -15.015 0.755 6.459 500 HH21 ARG 65 1HH2 ARG 65 -12.297 2.779 5.839 501 HH22 ARG 65 2HH2 ARG 65 -13.676 2.495 6.849 502 H GLN 66 H GLN 66 -11.212 -1.919 -1.575 503 HA GLN 66 HA GLN 66 -11.554 -4.806 -1.222 504 HB2 GLN 66 2HB GLN 66 -10.321 -3.247 -3.513 505 HB3 GLN 66 1HB GLN 66 -10.587 -4.985 -3.488 506 HG2 GLN 66 2HG GLN 66 -12.714 -2.849 -3.421 507 HG3 GLN 66 1HG GLN 66 -12.292 -3.869 -4.796 508 HE21 GLN 66 1HE2 GLN 66 -14.842 -3.574 -3.466 509 HE22 GLN 66 2HE2 GLN 66 -15.283 -5.147 -2.901 510 H ARG 67 H ARG 67 -9.862 -6.228 -0.916 511 HA ARG 67 HA ARG 67 -7.335 -5.043 0.005 512 HB2 ARG 67 2HB ARG 67 -8.519 -7.795 0.447 513 HB3 ARG 67 1HB ARG 67 -6.966 -7.261 1.079 514 HG2 ARG 67 2HG ARG 67 -8.033 -5.597 2.450 515 HG3 ARG 67 1HG ARG 67 -9.603 -5.949 1.728 516 HD2 ARG 67 2HD ARG 67 -9.567 -8.190 2.675 517 HD3 ARG 67 1HD ARG 67 -7.954 -7.910 3.328 518 HE ARG 67 HE ARG 67 -8.869 -6.613 5.007 519 HH11 ARG 67 1HH1 ARG 67 -11.317 -7.454 2.725 520 HH12 ARG 67 2HH1 ARG 67 -12.602 -6.966 3.770 521 HH21 ARG 67 1HH2 ARG 67 -10.518 -6.009 6.335 522 HH22 ARG 67 2HH2 ARG 67 -12.156 -6.160 5.794 523 H GLY 68 H GLY 68 -5.484 -5.281 -1.107 524 HA2 GLY 68 2HA GLY 68 -4.885 -7.587 -2.704 525 HA3 GLY 68 1HA GLY 68 -5.315 -6.207 -3.704 526 H ASP 69 H ASP 69 -2.968 -6.928 -4.317 527 HA ASP 69 HA ASP 69 -0.941 -5.735 -2.573 528 HB2 ASP 69 2HB ASP 69 -0.542 -7.260 -5.161 529 HB3 ASP 69 1HB ASP 69 0.674 -6.895 -3.937 530 H PHE 70 H PHE 70 -0.618 -3.600 -2.852 531 HA PHE 70 HA PHE 70 -1.023 -2.437 -5.521 532 HB2 PHE 70 2HB PHE 70 -1.135 -0.259 -4.361 533 HB3 PHE 70 1HB PHE 70 -2.323 -1.404 -3.751 534 HD1 PHE 70 HD1 PHE 70 -2.002 -2.454 -1.524 535 HD2 PHE 70 HD2 PHE 70 0.584 0.622 -2.949 536 HE1 PHE 70 HE1 PHE 70 -1.193 -2.068 0.766 537 HE2 PHE 70 HE2 PHE 70 1.390 1.006 -0.658 538 HZ PHE 70 HZ PHE 70 0.503 -0.339 1.200 539 HA PRO 71 HA PRO 71 3.343 -1.788 -6.126 540 HB2 PRO 71 2HB PRO 71 3.225 0.250 -7.940 541 HB3 PRO 71 1HB PRO 71 2.880 -1.435 -8.348 542 HG2 PRO 71 2HG PRO 71 0.972 0.795 -7.734 543 HG3 PRO 71 1HG PRO 71 0.886 -0.429 -9.017 544 HD2 PRO 71 2HD PRO 71 -0.550 -0.631 -6.733 545 HD3 PRO 71 1HD PRO 71 0.085 -2.058 -7.579 546 H GLY 72 H GLY 72 4.433 -0.934 -4.448 547 HA2 GLY 72 2HA GLY 72 3.732 1.400 -3.033 548 HA3 GLY 72 1HA GLY 72 5.252 0.543 -2.897 549 H THR 73 H THR 73 5.263 1.220 -6.040 550 HA THR 73 HA THR 73 7.007 3.498 -5.741 551 HB THR 73 HB THR 73 7.223 3.362 -8.235 552 HG1 THR 73 HG1 THR 73 6.188 1.661 -9.306 553 HG21 THR 73 3HG2 THR 73 8.419 1.226 -8.265 554 HG22 THR 73 1HG2 THR 73 7.612 0.739 -6.774 555 HG23 THR 73 2HG2 THR 73 8.739 2.097 -6.765 556 H TYR 74 H TYR 74 3.653 3.141 -6.220 557 HA TYR 74 HA TYR 74 3.438 5.845 -7.398 558 HB2 TYR 74 2HB TYR 74 1.445 3.565 -7.407 559 HB3 TYR 74 1HB TYR 74 1.127 5.171 -8.055 560 HD1 TYR 74 HD2 TYR 74 2.305 5.943 -10.090 561 HD2 TYR 74 HD1 TYR 74 2.778 1.970 -8.631 562 HE1 TYR 74 HE2 TYR 74 3.245 5.264 -12.256 563 HE2 TYR 74 HE1 TYR 74 3.723 1.285 -10.793 564 HH TYR 74 HH TYR 74 4.724 3.504 -13.152 565 H VAL 75 H VAL 75 3.473 4.606 -4.425 566 HA VAL 75 HA VAL 75 1.297 6.353 -3.455 567 HB VAL 75 HB VAL 75 0.763 4.806 -1.664 568 HG11 VAL 75 1HG1 VAL 75 -0.239 2.974 -2.956 569 HG12 VAL 75 2HG1 VAL 75 0.762 3.407 -4.342 570 HG13 VAL 75 3HG1 VAL 75 -0.462 4.532 -3.753 571 HG21 VAL 75 3HG2 VAL 75 2.867 2.991 -2.856 572 HG22 VAL 75 1HG2 VAL 75 1.746 2.544 -1.567 573 HG23 VAL 75 2HG2 VAL 75 2.946 3.806 -1.293 574 H GLU 76 H GLU 76 1.737 7.630 -1.713 575 HA GLU 76 HA GLU 76 4.456 7.667 -0.645 576 HB2 GLU 76 2HB GLU 76 3.852 9.811 0.335 577 HB3 GLU 76 1HB GLU 76 3.384 9.789 -1.362 578 HG2 GLU 76 2HG GLU 76 1.065 9.265 -0.681 579 HG3 GLU 76 1HG GLU 76 1.557 9.402 1.005 580 H PHE 77 H PHE 77 4.787 7.835 1.722 581 HA PHE 77 HA PHE 77 2.892 6.099 3.162 582 HB2 PHE 77 2HB PHE 77 5.177 5.230 3.002 583 HB3 PHE 77 1HB PHE 77 5.802 6.693 3.755 584 HD1 PHE 77 HD2 PHE 77 3.364 3.935 4.408 585 HD2 PHE 77 HD1 PHE 77 6.182 6.685 6.036 586 HE1 PHE 77 HE2 PHE 77 3.099 2.894 6.619 587 HE2 PHE 77 HE1 PHE 77 5.917 5.652 8.248 588 HZ PHE 77 HZ PHE 77 4.376 3.753 8.545 589 H LEU 78 H LEU 78 1.666 6.933 4.716 590 HA LEU 78 HA LEU 78 2.153 9.651 5.666 591 HB2 LEU 78 2HB LEU 78 -0.163 7.797 6.266 592 HB3 LEU 78 1HB LEU 78 -0.091 9.518 6.602 593 HG LEU 78 HG LEU 78 -0.140 8.255 3.849 594 HD11 LEU 78 1HD1 LEU 78 -2.258 9.804 5.345 595 HD12 LEU 78 2HD1 LEU 78 -2.283 8.076 4.986 596 HD13 LEU 78 3HD1 LEU 78 -2.371 9.250 3.673 597 HD21 LEU 78 3HD2 LEU 78 -0.370 10.544 3.010 598 HD22 LEU 78 1HD2 LEU 78 1.161 10.321 3.856 599 HD23 LEU 78 2HD2 LEU 78 -0.168 11.170 4.648 600 H GLY 79 H GLY 79 1.328 6.529 7.215 601 HA2 GLY 79 2HA GLY 79 3.206 6.055 9.005 602 HA3 GLY 79 1HA GLY 79 2.484 7.476 9.745 603 HA PRO 80 HA PRO 80 0.184 3.656 11.259 604 HB2 PRO 80 2HB PRO 80 0.423 4.242 13.917 605 HB3 PRO 80 1HB PRO 80 1.594 3.261 13.031 606 HG2 PRO 80 2HG PRO 80 1.721 6.169 13.753 607 HG3 PRO 80 1HG PRO 80 2.996 4.937 13.844 608 HD2 PRO 80 2HD PRO 80 2.862 6.718 11.812 609 HD3 PRO 80 1HD PRO 80 3.452 5.061 11.573 610 H LEU 81 H LEU 81 -1.992 3.789 11.533 611 HA LEU 81 HA LEU 81 -3.265 6.310 11.376 612 HB2 LEU 81 2HB LEU 81 -5.388 4.913 11.695 613 HB3 LEU 81 1HB LEU 81 -4.398 4.626 10.280 614 HG LEU 81 HG LEU 81 -3.381 2.661 11.547 615 HD11 LEU 81 1HD1 LEU 81 -5.760 3.135 13.338 616 HD12 LEU 81 2HD1 LEU 81 -4.060 3.259 13.795 617 HD13 LEU 81 3HD1 LEU 81 -4.740 1.695 13.342 618 HD21 LEU 81 3HD2 LEU 81 -5.240 1.177 10.982 619 HD22 LEU 81 1HD2 LEU 81 -4.978 2.387 9.724 620 HD23 LEU 81 2HD2 LEU 81 -6.319 2.567 10.857 621 H GLU 82 H GLU 82 -5.038 7.062 12.772 622 HA GLU 82 HA GLU 82 -4.119 7.754 15.307 623 HB2 GLU 82 2HB GLU 82 -6.907 7.824 14.141 624 HB3 GLU 82 1HB GLU 82 -6.508 8.516 15.706 625 HG2 GLU 82 2HG GLU 82 -6.561 10.253 14.048 626 HG3 GLU 82 1HG GLU 82 -4.906 10.030 14.608 Start of MODEL 14 1 H1 MET 1 1H MET 1 -5.087 4.105 19.435 2 H2 MET 1 2H MET 1 -5.242 3.657 21.060 3 H3 MET 1 3H MET 1 -6.575 4.278 20.227 4 HA MET 1 HA MET 1 -5.195 1.723 19.598 5 HB2 MET 1 2HB MET 1 -7.141 0.603 20.547 6 HB3 MET 1 1HB MET 1 -6.422 1.663 21.751 7 HG2 MET 1 2HG MET 1 -8.145 3.333 21.333 8 HG3 MET 1 1HG MET 1 -8.857 2.302 20.094 9 HE1 MET 1 3HE MET 1 -10.550 3.523 22.473 10 HE2 MET 1 1HE MET 1 -11.521 2.125 22.936 11 HE3 MET 1 2HE MET 1 -11.220 2.465 21.233 12 H ALA 2 H ALA 2 -6.111 4.060 17.835 13 HA ALA 2 HA ALA 2 -8.553 3.148 16.596 14 HB1 ALA 2 3HB ALA 2 -6.673 5.345 15.736 15 HB2 ALA 2 1HB ALA 2 -8.064 5.537 16.801 16 HB3 ALA 2 2HB ALA 2 -8.301 5.067 15.119 17 H GLY 3 H GLY 3 -7.999 1.045 15.825 18 HA2 GLY 3 2HA GLY 3 -7.923 -0.072 13.738 19 HA3 GLY 3 1HA GLY 3 -6.894 1.203 13.110 20 HA PRO 4 HA PRO 4 -4.125 -2.410 13.995 21 HB2 PRO 4 2HB PRO 4 -2.954 -2.564 11.579 22 HB3 PRO 4 1HB PRO 4 -4.545 -3.272 11.883 23 HG2 PRO 4 2HG PRO 4 -3.856 -0.664 10.579 24 HG3 PRO 4 1HG PRO 4 -5.045 -1.881 10.081 25 HD2 PRO 4 2HD PRO 4 -5.698 0.397 11.458 26 HD3 PRO 4 1HD PRO 4 -6.634 -1.109 11.556 27 H GLU 5 H GLU 5 -1.937 -2.358 14.481 28 HA GLU 5 HA GLU 5 -0.746 0.248 14.763 29 HB2 GLU 5 2HB GLU 5 0.151 -2.524 15.548 30 HB3 GLU 5 1HB GLU 5 1.145 -1.097 15.818 31 HG2 GLU 5 2HG GLU 5 -0.575 -0.127 17.226 32 HG3 GLU 5 1HG GLU 5 -1.639 -1.494 16.904 33 H GLY 6 H GLY 6 -0.958 -1.265 12.024 34 HA2 GLY 6 2HA GLY 6 1.775 -1.448 11.140 35 HA3 GLY 6 1HA GLY 6 0.343 -1.505 10.124 36 H PHE 7 H PHE 7 0.717 -0.024 8.558 37 HA PHE 7 HA PHE 7 1.138 2.763 9.387 38 HB2 PHE 7 2HB PHE 7 2.790 1.350 7.274 39 HB3 PHE 7 1HB PHE 7 2.787 3.090 7.531 40 HD1 PHE 7 HD2 PHE 7 3.833 -0.148 8.898 41 HD2 PHE 7 HD1 PHE 7 3.922 4.077 9.427 42 HE1 PHE 7 HE2 PHE 7 5.614 -0.402 10.570 43 HE2 PHE 7 HE1 PHE 7 5.703 3.830 11.107 44 HZ PHE 7 HZ PHE 7 6.556 1.588 11.682 45 H GLN 8 H GLN 8 0.467 4.336 7.808 46 HA GLN 8 HA GLN 8 -1.436 3.246 5.827 47 HB2 GLN 8 2HB GLN 8 -1.505 5.877 7.319 48 HB3 GLN 8 1HB GLN 8 -2.604 5.458 6.012 49 HG2 GLN 8 2HG GLN 8 -3.420 3.546 7.331 50 HG3 GLN 8 1HG GLN 8 -2.348 4.018 8.650 51 HE21 GLN 8 1HE2 GLN 8 -2.809 5.922 9.806 52 HE22 GLN 8 2HE2 GLN 8 -4.381 6.633 9.776 53 H TYR 9 H TYR 9 -1.304 3.810 3.750 54 HA TYR 9 HA TYR 9 0.749 5.780 2.942 55 HB2 TYR 9 2HB TYR 9 -0.323 3.416 1.375 56 HB3 TYR 9 1HB TYR 9 0.921 4.537 0.829 57 HD1 TYR 9 HD2 TYR 9 3.126 4.607 2.080 58 HD2 TYR 9 HD1 TYR 9 0.237 1.546 2.721 59 HE1 TYR 9 HE2 TYR 9 4.858 3.193 3.100 60 HE2 TYR 9 HE1 TYR 9 1.961 0.127 3.747 61 HH TYR 9 HH TYR 9 4.470 -0.087 3.640 62 H ARG 10 H ARG 10 0.211 6.681 0.636 63 HA ARG 10 HA ARG 10 -2.678 7.219 0.386 64 HB2 ARG 10 2HB ARG 10 -1.681 9.056 1.663 65 HB3 ARG 10 1HB ARG 10 -0.487 9.305 0.398 66 HG2 ARG 10 2HG ARG 10 -2.296 9.920 -1.160 67 HG3 ARG 10 1HG ARG 10 -3.464 9.723 0.151 68 HD2 ARG 10 2HD ARG 10 -2.375 11.483 1.422 69 HD3 ARG 10 1HD ARG 10 -1.129 11.640 0.188 70 HE ARG 10 HE ARG 10 -3.969 12.257 -0.324 71 HH11 ARG 10 1HH1 ARG 10 -0.616 13.024 -0.559 72 HH12 ARG 10 2HH1 ARG 10 -0.906 14.427 -1.533 73 HH21 ARG 10 1HH2 ARG 10 -4.318 14.049 -1.567 74 HH22 ARG 10 2HH2 ARG 10 -2.975 14.998 -2.105 75 H ALA 11 H ALA 11 -3.345 6.822 -1.629 76 HA ALA 11 HA ALA 11 -1.521 6.255 -3.748 77 HB1 ALA 11 3HB ALA 11 -3.656 5.085 -3.511 78 HB2 ALA 11 1HB ALA 11 -3.511 5.845 -5.096 79 HB3 ALA 11 2HB ALA 11 -4.520 6.585 -3.851 80 H LEU 12 H LEU 12 -0.670 7.574 -5.232 81 HA LEU 12 HA LEU 12 -1.287 10.394 -5.166 82 HB2 LEU 12 2HB LEU 12 0.646 8.893 -6.940 83 HB3 LEU 12 1HB LEU 12 0.594 10.630 -6.694 84 HG LEU 12 HG LEU 12 1.327 8.549 -4.623 85 HD11 LEU 12 1HD1 LEU 12 3.538 9.578 -4.695 86 HD12 LEU 12 2HD1 LEU 12 2.994 10.687 -5.954 87 HD13 LEU 12 3HD1 LEU 12 3.080 8.956 -6.282 88 HD21 LEU 12 3HD2 LEU 12 1.795 10.446 -3.141 89 HD22 LEU 12 1HD2 LEU 12 0.090 10.374 -3.586 90 HD23 LEU 12 2HD2 LEU 12 1.154 11.553 -4.357 91 H TYR 13 H TYR 13 -1.527 7.805 -7.591 92 HA TYR 13 HA TYR 13 -3.461 9.423 -9.096 93 HB2 TYR 13 2HB TYR 13 -0.988 8.101 -10.236 94 HB3 TYR 13 1HB TYR 13 -2.354 8.579 -11.238 95 HD1 TYR 13 HD1 TYR 13 -2.938 10.983 -11.472 96 HD2 TYR 13 HD2 TYR 13 0.584 9.735 -9.427 97 HE1 TYR 13 HE1 TYR 13 -2.037 13.261 -11.640 98 HE2 TYR 13 HE2 TYR 13 1.492 12.015 -9.592 99 HH TYR 13 HH TYR 13 1.222 14.019 -10.918 100 HA PRO 14 HA PRO 14 -5.848 5.739 -9.336 101 HB2 PRO 14 2HB PRO 14 -6.917 5.812 -11.850 102 HB3 PRO 14 1HB PRO 14 -7.466 6.836 -10.518 103 HG2 PRO 14 2HG PRO 14 -5.608 7.488 -12.774 104 HG3 PRO 14 1HG PRO 14 -6.898 8.474 -12.059 105 HD2 PRO 14 2HD PRO 14 -4.277 8.854 -11.473 106 HD3 PRO 14 1HD PRO 14 -5.571 9.160 -10.297 107 H PHE 15 H PHE 15 -5.164 3.720 -9.444 108 HA PHE 15 HA PHE 15 -3.759 2.763 -11.856 109 HB2 PHE 15 2HB PHE 15 -2.132 2.980 -10.069 110 HB3 PHE 15 1HB PHE 15 -3.178 2.108 -8.954 111 HD1 PHE 15 HD1 PHE 15 -1.356 1.685 -12.183 112 HD2 PHE 15 HD2 PHE 15 -2.901 -0.189 -8.680 113 HE1 PHE 15 HE1 PHE 15 -0.280 -0.426 -12.837 114 HE2 PHE 15 HE2 PHE 15 -1.822 -2.298 -9.335 115 HZ PHE 15 HZ PHE 15 -0.511 -2.421 -11.413 116 H ARG 16 H ARG 16 -4.848 1.174 -12.850 117 HA ARG 16 HA ARG 16 -6.330 -0.772 -11.217 118 HB2 ARG 16 2HB ARG 16 -8.169 -0.772 -12.897 119 HB3 ARG 16 1HB ARG 16 -8.022 0.741 -12.020 120 HG2 ARG 16 2HG ARG 16 -8.416 1.424 -14.202 121 HG3 ARG 16 1HG ARG 16 -6.664 1.557 -14.058 122 HD2 ARG 16 2HD ARG 16 -6.471 -0.690 -15.128 123 HD3 ARG 16 1HD ARG 16 -8.216 -0.676 -15.374 124 HE ARG 16 HE ARG 16 -7.581 1.555 -16.606 125 HH11 ARG 16 1HH1 ARG 16 -5.911 -1.451 -16.673 126 HH12 ARG 16 2HH1 ARG 16 -5.327 -1.219 -18.283 127 HH21 ARG 16 1HH2 ARG 16 -6.814 1.843 -18.674 128 HH22 ARG 16 2HH2 ARG 16 -5.832 0.615 -19.397 129 H ARG 17 H ARG 17 -6.675 -2.861 -12.280 130 HA ARG 17 HA ARG 17 -4.873 -3.315 -14.570 131 HB2 ARG 17 2HB ARG 17 -4.884 -4.774 -11.952 132 HB3 ARG 17 1HB ARG 17 -4.352 -5.589 -13.417 133 HG2 ARG 17 2HG ARG 17 -2.719 -3.683 -13.741 134 HG3 ARG 17 1HG ARG 17 -3.143 -3.158 -12.109 135 HD2 ARG 17 2HD ARG 17 -1.106 -4.552 -12.166 136 HD3 ARG 17 1HD ARG 17 -2.394 -5.267 -11.196 137 HE ARG 17 HE ARG 17 -2.094 -6.133 -13.974 138 HH11 ARG 17 1HH1 ARG 17 -1.759 -6.846 -10.613 139 HH12 ARG 17 2HH1 ARG 17 -1.622 -8.548 -10.896 140 HH21 ARG 17 1HH2 ARG 17 -1.903 -8.306 -14.292 141 HH22 ARG 17 2HH2 ARG 17 -1.687 -9.359 -12.933 142 H GLU 18 H GLU 18 -5.303 -5.091 -15.889 143 HA GLU 18 HA GLU 18 -8.043 -5.694 -16.338 144 HB2 GLU 18 2HB GLU 18 -5.580 -7.077 -17.439 145 HB3 GLU 18 1HB GLU 18 -7.202 -7.147 -18.119 146 HG2 GLU 18 2HG GLU 18 -7.113 -4.956 -18.896 147 HG3 GLU 18 1HG GLU 18 -5.805 -4.513 -17.799 148 H ARG 19 H ARG 19 -5.368 -7.471 -14.880 149 HA ARG 19 HA ARG 19 -6.956 -9.857 -14.435 150 HB2 ARG 19 2HB ARG 19 -4.127 -9.148 -13.604 151 HB3 ARG 19 1HB ARG 19 -4.867 -10.737 -13.423 152 HG2 ARG 19 2HG ARG 19 -4.924 -11.112 -15.739 153 HG3 ARG 19 1HG ARG 19 -4.697 -9.404 -16.111 154 HD2 ARG 19 2HD ARG 19 -2.660 -10.529 -16.613 155 HD3 ARG 19 1HD ARG 19 -2.397 -9.575 -15.157 156 HE ARG 19 HE ARG 19 -3.093 -12.124 -14.321 157 HH11 ARG 19 1HH1 ARG 19 -0.561 -10.655 -16.160 158 HH12 ARG 19 2HH1 ARG 19 0.591 -11.865 -15.727 159 HH21 ARG 19 1HH2 ARG 19 -1.563 -13.676 -13.794 160 HH22 ARG 19 2HH2 ARG 19 0.042 -13.529 -14.423 161 HA PRO 20 HA PRO 20 -8.747 -8.109 -10.794 162 HB2 PRO 20 2HB PRO 20 -10.068 -10.280 -9.860 163 HB3 PRO 20 1HB PRO 20 -10.561 -9.417 -11.323 164 HG2 PRO 20 2HG PRO 20 -8.919 -11.921 -11.069 165 HG3 PRO 20 1HG PRO 20 -10.290 -11.595 -12.149 166 HD2 PRO 20 2HD PRO 20 -7.735 -11.426 -13.005 167 HD3 PRO 20 1HD PRO 20 -8.998 -10.337 -13.615 168 H GLU 21 H GLU 21 -6.086 -10.033 -10.546 169 HA GLU 21 HA GLU 21 -6.244 -10.802 -7.780 170 HB2 GLU 21 2HB GLU 21 -4.885 -12.086 -9.334 171 HB3 GLU 21 1HB GLU 21 -3.906 -10.671 -9.694 172 HG2 GLU 21 2HG GLU 21 -3.129 -10.645 -7.349 173 HG3 GLU 21 1HG GLU 21 -4.057 -12.114 -7.049 174 H ASP 22 H ASP 22 -5.364 -7.894 -9.423 175 HA ASP 22 HA ASP 22 -3.585 -6.954 -7.322 176 HB2 ASP 22 2HB ASP 22 -3.654 -6.525 -10.013 177 HB3 ASP 22 1HB ASP 22 -4.450 -5.063 -9.434 178 H LEU 23 H LEU 23 -4.211 -4.194 -7.320 179 HA LEU 23 HA LEU 23 -6.927 -4.073 -6.177 180 HB2 LEU 23 2HB LEU 23 -5.371 -4.438 -4.329 181 HB3 LEU 23 1HB LEU 23 -4.397 -3.079 -4.856 182 HG LEU 23 HG LEU 23 -6.253 -1.540 -4.334 183 HD11 LEU 23 1HD1 LEU 23 -8.139 -3.011 -4.694 184 HD12 LEU 23 2HD1 LEU 23 -8.189 -2.369 -3.053 185 HD13 LEU 23 3HD1 LEU 23 -7.649 -4.025 -3.337 186 HD21 LEU 23 3HD2 LEU 23 -5.463 -3.358 -2.051 187 HD22 LEU 23 1HD2 LEU 23 -6.123 -1.729 -1.889 188 HD23 LEU 23 2HD2 LEU 23 -4.550 -1.971 -2.646 189 H GLU 24 H GLU 24 -8.021 -2.510 -7.187 190 HA GLU 24 HA GLU 24 -6.883 -0.431 -8.715 191 HB2 GLU 24 2HB GLU 24 -9.655 -0.923 -7.649 192 HB3 GLU 24 1HB GLU 24 -9.274 0.558 -8.511 193 HG2 GLU 24 2HG GLU 24 -10.305 -1.099 -9.965 194 HG3 GLU 24 1HG GLU 24 -8.672 -0.703 -10.487 195 H LEU 25 H LEU 25 -5.827 1.292 -8.015 196 HA LEU 25 HA LEU 25 -6.453 2.449 -5.380 197 HB2 LEU 25 2HB LEU 25 -4.070 2.994 -7.159 198 HB3 LEU 25 1HB LEU 25 -4.282 3.523 -5.501 199 HG LEU 25 HG LEU 25 -3.894 0.677 -6.441 200 HD11 LEU 25 1HD1 LEU 25 -1.861 2.045 -6.480 201 HD12 LEU 25 2HD1 LEU 25 -1.784 0.797 -5.238 202 HD13 LEU 25 3HD1 LEU 25 -2.113 2.470 -4.786 203 HD21 LEU 25 3HD2 LEU 25 -4.313 1.736 -3.644 204 HD22 LEU 25 1HD2 LEU 25 -3.871 0.079 -4.058 205 HD23 LEU 25 2HD2 LEU 25 -5.435 0.727 -4.557 206 H LEU 26 H LEU 26 -7.282 4.479 -5.180 207 HA LEU 26 HA LEU 26 -7.642 6.070 -7.641 208 HB2 LEU 26 2HB LEU 26 -9.353 5.758 -5.187 209 HB3 LEU 26 1HB LEU 26 -9.494 7.191 -6.184 210 HG LEU 26 HG LEU 26 -11.221 5.596 -6.768 211 HD11 LEU 26 1HD1 LEU 26 -10.297 6.999 -8.549 212 HD12 LEU 26 2HD1 LEU 26 -10.858 5.445 -9.161 213 HD13 LEU 26 3HD1 LEU 26 -9.132 5.734 -8.940 214 HD21 LEU 26 3HD2 LEU 26 -10.047 3.544 -6.061 215 HD22 LEU 26 1HD2 LEU 26 -9.017 3.665 -7.489 216 HD23 LEU 26 2HD2 LEU 26 -10.753 3.404 -7.672 217 HA PRO 27 HA PRO 27 -4.949 9.170 -6.074 218 HB2 PRO 27 2HB PRO 27 -6.070 11.453 -7.092 219 HB3 PRO 27 1HB PRO 27 -5.147 10.298 -8.061 220 HG2 PRO 27 2HG PRO 27 -8.120 10.571 -7.761 221 HG3 PRO 27 1HG PRO 27 -7.164 10.307 -9.233 222 HD2 PRO 27 2HD PRO 27 -8.459 8.291 -8.003 223 HD3 PRO 27 1HD PRO 27 -6.890 8.042 -8.798 224 H GLY 28 H GLY 28 -4.781 9.887 -4.047 225 HA2 GLY 28 2HA GLY 28 -5.216 11.351 -2.271 226 HA3 GLY 28 1HA GLY 28 -6.811 11.658 -2.932 227 H ASP 29 H ASP 29 -6.358 8.347 -2.863 228 HA ASP 29 HA ASP 29 -7.993 8.117 -0.448 229 HB2 ASP 29 2HB ASP 29 -8.614 6.993 -2.624 230 HB3 ASP 29 1HB ASP 29 -7.233 5.927 -2.393 231 H VAL 30 H VAL 30 -7.481 6.654 1.273 232 HA VAL 30 HA VAL 30 -4.582 6.468 1.713 233 HB VAL 30 HB VAL 30 -6.855 6.319 3.710 234 HG11 VAL 30 1HG1 VAL 30 -4.908 5.033 4.450 235 HG12 VAL 30 2HG1 VAL 30 -5.118 6.486 5.426 236 HG13 VAL 30 3HG1 VAL 30 -3.871 6.437 4.180 237 HG21 VAL 30 3HG2 VAL 30 -6.100 8.548 4.419 238 HG22 VAL 30 1HG2 VAL 30 -6.617 8.548 2.732 239 HG23 VAL 30 2HG2 VAL 30 -4.898 8.553 3.127 240 H LEU 31 H LEU 31 -3.546 4.586 1.950 241 HA LEU 31 HA LEU 31 -5.093 2.087 1.816 242 HB2 LEU 31 2HB LEU 31 -2.187 2.623 1.163 243 HB3 LEU 31 1HB LEU 31 -2.956 1.051 1.078 244 HG LEU 31 HG LEU 31 -4.517 2.016 -0.670 245 HD11 LEU 31 1HD1 LEU 31 -4.216 4.383 -0.189 246 HD12 LEU 31 2HD1 LEU 31 -3.781 4.025 -1.858 247 HD13 LEU 31 3HD1 LEU 31 -2.518 4.278 -0.654 248 HD21 LEU 31 3HD2 LEU 31 -1.560 1.930 -1.270 249 HD22 LEU 31 1HD2 LEU 31 -2.847 1.851 -2.475 250 HD23 LEU 31 2HD2 LEU 31 -2.678 0.565 -1.281 251 H VAL 32 H VAL 32 -5.325 1.004 3.672 252 HA VAL 32 HA VAL 32 -3.498 1.513 5.902 253 HB VAL 32 HB VAL 32 -6.079 -0.073 5.877 254 HG11 VAL 32 1HG1 VAL 32 -4.616 -0.715 7.713 255 HG12 VAL 32 2HG1 VAL 32 -6.000 0.190 8.324 256 HG13 VAL 32 3HG1 VAL 32 -4.426 0.974 8.183 257 HG21 VAL 32 3HG2 VAL 32 -7.102 1.906 6.914 258 HG22 VAL 32 1HG2 VAL 32 -6.486 2.270 5.302 259 HG23 VAL 32 2HG2 VAL 32 -5.587 2.788 6.727 260 H VAL 33 H VAL 33 -1.811 0.196 6.236 261 HA VAL 33 HA VAL 33 -2.031 -2.644 5.433 262 HB VAL 33 HB VAL 33 0.465 -0.938 5.619 263 HG11 VAL 33 1HG1 VAL 33 1.626 -2.879 4.650 264 HG12 VAL 33 2HG1 VAL 33 0.137 -3.819 4.765 265 HG13 VAL 33 3HG1 VAL 33 0.935 -3.248 6.231 266 HG21 VAL 33 3HG2 VAL 33 -0.915 -0.373 3.683 267 HG22 VAL 33 1HG2 VAL 33 -0.960 -2.071 3.202 268 HG23 VAL 33 2HG2 VAL 33 0.566 -1.185 3.182 269 H SER 34 H SER 34 -2.124 -4.037 7.067 270 HA SER 34 HA SER 34 -1.728 -3.328 9.785 271 HB2 SER 34 2HB SER 34 -1.945 -6.090 8.544 272 HB3 SER 34 1HB SER 34 -2.116 -5.719 10.260 273 HG SER 34 HG SER 34 -4.153 -5.851 9.293 274 H ARG 35 H ARG 35 -0.148 -4.025 11.278 275 HA ARG 35 HA ARG 35 2.514 -3.783 10.486 276 HB2 ARG 35 2HB ARG 35 1.691 -3.387 12.781 277 HB3 ARG 35 1HB ARG 35 1.421 -5.112 12.982 278 HG2 ARG 35 2HG ARG 35 3.451 -4.508 14.100 279 HG3 ARG 35 1HG ARG 35 3.858 -5.482 12.688 280 HD2 ARG 35 2HD ARG 35 5.391 -3.609 12.900 281 HD3 ARG 35 1HD ARG 35 4.411 -3.437 11.445 282 HE ARG 35 HE ARG 35 2.998 -1.942 13.069 283 HH11 ARG 35 1HH1 ARG 35 6.435 -2.150 12.892 284 HH12 ARG 35 2HH1 ARG 35 6.660 -0.500 13.364 285 HH21 ARG 35 1HH2 ARG 35 3.297 0.159 13.671 286 HH22 ARG 35 2HH2 ARG 35 4.902 0.792 13.811 287 H ALA 36 H ALA 36 0.697 -6.748 11.281 288 HA ALA 36 HA ALA 36 2.713 -8.630 11.088 289 HB1 ALA 36 3HB ALA 36 0.981 -10.278 10.714 290 HB2 ALA 36 1HB ALA 36 -0.158 -9.015 10.241 291 HB3 ALA 36 2HB ALA 36 0.434 -9.092 11.900 292 H ALA 37 H ALA 37 0.960 -7.062 8.462 293 HA ALA 37 HA ALA 37 1.739 -8.788 6.368 294 HB1 ALA 37 3HB ALA 37 1.160 -6.943 4.869 295 HB2 ALA 37 1HB ALA 37 1.104 -5.837 6.244 296 HB3 ALA 37 2HB ALA 37 -0.062 -7.155 6.123 297 H LEU 38 H LEU 38 3.182 -5.733 7.521 298 HA LEU 38 HA LEU 38 5.412 -5.775 5.779 299 HB2 LEU 38 2HB LEU 38 5.100 -4.452 8.479 300 HB3 LEU 38 1HB LEU 38 6.396 -4.121 7.343 301 HG LEU 38 HG LEU 38 3.454 -3.569 6.894 302 HD11 LEU 38 1HD1 LEU 38 4.505 -2.026 8.472 303 HD12 LEU 38 2HD1 LEU 38 4.109 -1.220 6.956 304 HD13 LEU 38 3HD1 LEU 38 5.776 -1.682 7.299 305 HD21 LEU 38 3HD2 LEU 38 5.819 -3.005 5.095 306 HD22 LEU 38 1HD2 LEU 38 4.157 -2.486 4.811 307 HD23 LEU 38 2HD2 LEU 38 4.558 -4.203 4.802 308 H GLN 39 H GLN 39 4.888 -7.117 9.009 309 HA GLN 39 HA GLN 39 7.502 -7.992 9.546 310 HB2 GLN 39 2HB GLN 39 4.904 -9.348 10.329 311 HB3 GLN 39 1HB GLN 39 6.473 -9.618 11.077 312 HG2 GLN 39 2HG GLN 39 4.900 -7.044 11.119 313 HG3 GLN 39 1HG GLN 39 5.060 -8.184 12.449 314 HE21 GLN 39 1HE2 GLN 39 7.043 -8.324 13.534 315 HE22 GLN 39 2HE2 GLN 39 8.223 -7.067 13.428 316 H ALA 40 H ALA 40 4.843 -9.610 7.821 317 HA ALA 40 HA ALA 40 6.213 -12.000 7.212 318 HB1 ALA 40 3HB ALA 40 4.469 -12.363 5.539 319 HB2 ALA 40 1HB ALA 40 3.964 -10.679 5.683 320 HB3 ALA 40 2HB ALA 40 3.778 -11.776 7.052 321 H LEU 41 H LEU 41 5.907 -8.941 5.421 322 HA LEU 41 HA LEU 41 7.399 -9.670 3.141 323 HB2 LEU 41 2HB LEU 41 7.108 -6.961 4.460 324 HB3 LEU 41 1HB LEU 41 7.763 -7.224 2.854 325 HG LEU 41 HG LEU 41 4.925 -7.857 3.701 326 HD11 LEU 41 1HD1 LEU 41 4.287 -5.939 2.339 327 HD12 LEU 41 2HD1 LEU 41 5.987 -5.586 2.022 328 HD13 LEU 41 3HD1 LEU 41 5.349 -5.457 3.663 329 HD21 LEU 41 3HD2 LEU 41 6.226 -7.921 0.973 330 HD22 LEU 41 1HD2 LEU 41 4.510 -8.171 1.305 331 HD23 LEU 41 2HD2 LEU 41 5.703 -9.322 1.910 332 H GLY 42 H GLY 42 8.396 -9.126 6.371 333 HA2 GLY 42 2HA GLY 42 10.492 -9.419 7.320 334 HA3 GLY 42 1HA GLY 42 11.159 -9.623 5.707 335 H VAL 43 H VAL 43 9.299 -6.863 6.930 336 HA VAL 43 HA VAL 43 11.584 -5.116 6.264 337 HB VAL 43 HB VAL 43 8.657 -4.389 6.596 338 HG11 VAL 43 1HG1 VAL 43 10.988 -2.723 5.619 339 HG12 VAL 43 2HG1 VAL 43 10.131 -2.520 7.147 340 HG13 VAL 43 3HG1 VAL 43 9.297 -2.223 5.624 341 HG21 VAL 43 3HG2 VAL 43 8.672 -4.105 4.142 342 HG22 VAL 43 1HG2 VAL 43 8.992 -5.772 4.624 343 HG23 VAL 43 2HG2 VAL 43 10.317 -4.738 4.092 344 H ALA 44 H ALA 44 12.733 -4.300 7.895 345 HA ALA 44 HA ALA 44 11.697 -4.152 10.603 346 HB1 ALA 44 3HB ALA 44 14.332 -3.183 9.478 347 HB2 ALA 44 1HB ALA 44 14.044 -4.766 10.199 348 HB3 ALA 44 2HB ALA 44 13.916 -3.310 11.187 349 H GLU 45 H GLU 45 11.131 -2.270 11.710 350 HA GLU 45 HA GLU 45 9.813 -0.316 10.245 351 HB2 GLU 45 2HB GLU 45 9.382 -0.849 12.643 352 HB3 GLU 45 1HB GLU 45 10.850 0.022 13.069 353 HG2 GLU 45 2HG GLU 45 9.916 2.085 12.194 354 HG3 GLU 45 1HG GLU 45 8.467 1.231 11.665 355 H GLY 46 H GLY 46 10.489 1.318 9.062 356 HA2 GLY 46 2HA GLY 46 11.947 3.394 9.099 357 HA3 GLY 46 1HA GLY 46 13.273 2.281 9.411 358 H GLY 47 H GLY 47 11.611 0.407 7.517 359 HA2 GLY 47 2HA GLY 47 12.917 1.347 5.047 360 HA3 GLY 47 1HA GLY 47 12.371 -0.290 5.368 361 H GLU 48 H GLU 48 9.764 0.305 6.258 362 HA GLU 48 HA GLU 48 8.287 0.430 3.895 363 HB2 GLU 48 2HB GLU 48 6.314 0.579 5.290 364 HB3 GLU 48 1HB GLU 48 7.460 -0.532 6.022 365 HG2 GLU 48 2HG GLU 48 6.889 2.302 6.878 366 HG3 GLU 48 1HG GLU 48 6.426 0.828 7.723 367 H ARG 49 H ARG 49 9.501 3.005 5.893 368 HA ARG 49 HA ARG 49 7.905 5.148 5.148 369 HB2 ARG 49 2HB ARG 49 10.896 5.121 5.608 370 HB3 ARG 49 1HB ARG 49 9.908 6.575 5.531 371 HG2 ARG 49 2HG ARG 49 8.608 5.732 7.478 372 HG3 ARG 49 1HG ARG 49 9.738 4.380 7.589 373 HD2 ARG 49 2HD ARG 49 10.350 6.131 9.162 374 HD3 ARG 49 1HD ARG 49 11.588 5.964 7.917 375 HE ARG 49 HE ARG 49 9.524 8.045 7.692 376 HH11 ARG 49 1HH1 ARG 49 12.845 7.149 7.919 377 HH12 ARG 49 2HH1 ARG 49 13.402 8.762 7.647 378 HH21 ARG 49 1HH2 ARG 49 10.254 10.084 7.324 379 HH22 ARG 49 2HH2 ARG 49 11.956 10.402 7.288 380 H CYS 50 H CYS 50 10.159 3.369 3.201 381 HA CYS 50 HA CYS 50 9.673 5.253 0.973 382 HB2 CYS 50 2HB CYS 50 11.717 4.290 -0.088 383 HB3 CYS 50 1HB CYS 50 12.041 5.128 1.424 384 HG CYS 50 HG CYS 50 11.530 1.849 1.821 385 HA PRO 51 HA PRO 51 7.044 1.494 0.169 386 HB2 PRO 51 2HB PRO 51 5.793 3.535 -1.613 387 HB3 PRO 51 1HB PRO 51 5.031 2.387 -0.506 388 HG2 PRO 51 2HG PRO 51 5.207 4.974 0.121 389 HG3 PRO 51 1HG PRO 51 5.427 3.720 1.356 390 HD2 PRO 51 2HD PRO 51 7.476 5.401 -0.028 391 HD3 PRO 51 1HD PRO 51 7.424 4.843 1.656 392 H GLN 52 H GLN 52 8.212 3.858 -2.239 393 HA GLN 52 HA GLN 52 8.046 2.193 -4.493 394 HB2 GLN 52 2HB GLN 52 8.367 4.674 -4.518 395 HB3 GLN 52 1HB GLN 52 10.037 4.426 -4.027 396 HG2 GLN 52 2HG GLN 52 10.483 3.204 -6.087 397 HG3 GLN 52 1HG GLN 52 8.799 3.396 -6.578 398 HE21 GLN 52 1HE2 GLN 52 11.202 4.286 -7.940 399 HE22 GLN 52 2HE2 GLN 52 11.057 5.996 -8.110 400 H SER 53 H SER 53 10.516 2.467 -2.014 401 HA SER 53 HA SER 53 12.512 0.920 -3.381 402 HB2 SER 53 2HB SER 53 13.127 2.500 -1.590 403 HB3 SER 53 1HB SER 53 12.233 1.533 -0.420 404 HG SER 53 HG SER 53 14.171 0.683 -0.175 405 H VAL 54 H VAL 54 9.991 0.195 -1.005 406 HA VAL 54 HA VAL 54 10.674 -2.534 -0.615 407 HB VAL 54 HB VAL 54 7.935 -1.269 -0.334 408 HG11 VAL 54 1HG1 VAL 54 9.102 -3.766 0.913 409 HG12 VAL 54 2HG1 VAL 54 7.848 -3.703 -0.326 410 HG13 VAL 54 3HG1 VAL 54 7.525 -3.075 1.289 411 HG21 VAL 54 3HG2 VAL 54 9.592 -0.027 0.964 412 HG22 VAL 54 1HG2 VAL 54 10.140 -1.526 1.719 413 HG23 VAL 54 2HG2 VAL 54 8.510 -0.928 2.027 414 H GLY 55 H GLY 55 8.446 -0.914 -2.864 415 HA2 GLY 55 2HA GLY 55 8.118 -1.613 -5.094 416 HA3 GLY 55 1HA GLY 55 8.696 -3.211 -4.664 417 H TRP 56 H TRP 56 7.208 -4.513 -3.247 418 HA TRP 56 HA TRP 56 4.400 -4.014 -4.031 419 HB2 TRP 56 2HB TRP 56 4.116 -6.448 -4.236 420 HB3 TRP 56 1HB TRP 56 5.387 -5.867 -5.307 421 HD1 TRP 56 HD1 TRP 56 7.998 -6.274 -4.316 422 HE1 TRP 56 HE1 TRP 56 8.909 -8.313 -3.036 423 HE3 TRP 56 HE3 TRP 56 3.574 -8.278 -2.719 424 HZ2 TRP 56 HZ2 TRP 56 7.891 -10.490 -1.560 425 HZ3 TRP 56 HZ3 TRP 56 3.628 -10.342 -1.378 426 HH2 TRP 56 HH2 TRP 56 5.742 -11.425 -0.811 427 H MET 57 H MET 57 2.873 -4.075 -2.450 428 HA MET 57 HA MET 57 3.466 -5.376 0.106 429 HB2 MET 57 2HB MET 57 2.704 -2.456 -0.121 430 HB3 MET 57 1HB MET 57 2.722 -3.370 1.381 431 HG2 MET 57 2HG MET 57 5.122 -3.717 1.161 432 HG3 MET 57 1HG MET 57 5.119 -2.840 -0.368 433 HE1 MET 57 3HE MET 57 3.092 -0.472 0.212 434 HE2 MET 57 1HE MET 57 4.649 -0.245 -0.587 435 HE3 MET 57 2HE MET 57 4.196 0.787 0.770 436 HA PRO 58 HA PRO 58 -0.947 -6.190 -0.340 437 HB2 PRO 58 2HB PRO 58 -1.234 -7.836 1.768 438 HB3 PRO 58 1HB PRO 58 -0.385 -8.350 0.305 439 HG2 PRO 58 2HG PRO 58 0.749 -7.408 2.917 440 HG3 PRO 58 1HG PRO 58 1.277 -8.752 1.886 441 HD2 PRO 58 2HD PRO 58 2.471 -6.267 1.915 442 HD3 PRO 58 1HD PRO 58 2.521 -7.377 0.530 443 H GLY 59 H GLY 59 -2.585 -4.871 0.314 444 HA2 GLY 59 2HA GLY 59 -2.846 -4.088 3.102 445 HA3 GLY 59 1HA GLY 59 -2.446 -2.773 2.008 446 H LEU 60 H LEU 60 -4.648 -2.342 3.300 447 HA LEU 60 HA LEU 60 -6.917 -3.239 1.636 448 HB2 LEU 60 2HB LEU 60 -7.078 -3.788 4.024 449 HB3 LEU 60 1HB LEU 60 -6.872 -2.097 4.438 450 HG LEU 60 HG LEU 60 -9.021 -1.578 3.315 451 HD11 LEU 60 1HD1 LEU 60 -10.529 -3.385 2.668 452 HD12 LEU 60 2HD1 LEU 60 -9.276 -4.573 3.025 453 HD13 LEU 60 3HD1 LEU 60 -9.051 -3.424 1.706 454 HD21 LEU 60 3HD2 LEU 60 -8.950 -1.993 5.726 455 HD22 LEU 60 1HD2 LEU 60 -9.208 -3.714 5.444 456 HD23 LEU 60 2HD2 LEU 60 -10.469 -2.553 5.025 457 H ASN 61 H ASN 61 -8.003 -1.787 0.428 458 HA ASN 61 HA ASN 61 -7.193 1.035 0.539 459 HB2 ASN 61 2HB ASN 61 -7.055 -0.111 -1.631 460 HB3 ASN 61 1HB ASN 61 -8.770 -0.500 -1.550 461 HD21 ASN 61 1HD2 ASN 61 -6.441 2.078 -1.894 462 HD22 ASN 61 2HD2 ASN 61 -7.539 3.234 -2.549 463 H GLU 62 H GLU 62 -8.765 2.766 0.645 464 HA GLU 62 HA GLU 62 -11.155 1.982 2.144 465 HB2 GLU 62 2HB GLU 62 -9.907 4.699 1.698 466 HB3 GLU 62 1HB GLU 62 -11.378 4.428 2.625 467 HG2 GLU 62 2HG GLU 62 -9.940 2.808 4.029 468 HG3 GLU 62 1HG GLU 62 -8.564 3.617 3.283 469 H ARG 63 H ARG 63 -10.342 3.568 -0.910 470 HA ARG 63 HA ARG 63 -12.962 4.465 -1.549 471 HB2 ARG 63 2HB ARG 63 -10.552 4.911 -2.642 472 HB3 ARG 63 1HB ARG 63 -11.087 3.651 -3.736 473 HG2 ARG 63 2HG ARG 63 -12.635 6.183 -3.199 474 HG3 ARG 63 1HG ARG 63 -11.482 5.997 -4.514 475 HD2 ARG 63 2HD ARG 63 -13.593 5.632 -5.485 476 HD3 ARG 63 1HD ARG 63 -12.902 4.024 -5.280 477 HE ARG 63 HE ARG 63 -14.554 3.542 -3.761 478 HH11 ARG 63 1HH1 ARG 63 -14.645 6.894 -4.520 479 HH12 ARG 63 2HH1 ARG 63 -16.048 7.188 -3.557 480 HH21 ARG 63 1HH2 ARG 63 -16.390 3.915 -2.570 481 HH22 ARG 63 2HH2 ARG 63 -17.042 5.514 -2.478 482 H THR 64 H THR 64 -11.182 1.714 -2.991 483 HA THR 64 HA THR 64 -13.573 0.511 -4.043 484 HB THR 64 HB THR 64 -12.115 -1.336 -4.754 485 HG1 THR 64 HG1 THR 64 -9.701 -0.522 -4.147 486 HG21 THR 64 3HG2 THR 64 -10.884 1.392 -5.214 487 HG22 THR 64 1HG2 THR 64 -12.171 0.651 -6.166 488 HG23 THR 64 2HG2 THR 64 -10.552 -0.050 -6.175 489 H ARG 65 H ARG 65 -11.897 0.341 -1.064 490 HA ARG 65 HA ARG 65 -12.036 -0.911 0.807 491 HB2 ARG 65 2HB ARG 65 -14.780 -1.526 -0.293 492 HB3 ARG 65 1HB ARG 65 -14.258 -1.873 1.352 493 HG2 ARG 65 2HG ARG 65 -13.818 0.572 1.643 494 HG3 ARG 65 1HG ARG 65 -14.556 0.831 0.061 495 HD2 ARG 65 2HD ARG 65 -16.177 1.220 1.818 496 HD3 ARG 65 1HD ARG 65 -16.628 -0.194 0.867 497 HE ARG 65 HE ARG 65 -15.454 -1.450 2.803 498 HH11 ARG 65 1HH1 ARG 65 -17.369 1.389 3.096 499 HH12 ARG 65 2HH1 ARG 65 -17.815 1.058 4.732 500 HH21 ARG 65 1HH2 ARG 65 -16.043 -1.880 4.912 501 HH22 ARG 65 2HH2 ARG 65 -17.061 -0.763 5.752 502 H GLN 66 H GLN 66 -11.128 -2.231 -1.777 503 HA GLN 66 HA GLN 66 -11.751 -5.032 -1.169 504 HB2 GLN 66 2HB GLN 66 -10.299 -3.850 -3.545 505 HB3 GLN 66 1HB GLN 66 -10.736 -5.542 -3.349 506 HG2 GLN 66 2HG GLN 66 -12.619 -3.206 -3.654 507 HG3 GLN 66 1HG GLN 66 -12.301 -4.479 -4.832 508 HE21 GLN 66 1HE2 GLN 66 -14.799 -3.620 -3.526 509 HE22 GLN 66 2HE2 GLN 66 -15.444 -5.036 -2.779 510 H ARG 67 H ARG 67 -9.961 -6.608 -1.351 511 HA ARG 67 HA ARG 67 -7.578 -5.622 0.082 512 HB2 ARG 67 2HB ARG 67 -8.751 -8.418 -0.011 513 HB3 ARG 67 1HB ARG 67 -7.379 -7.903 0.965 514 HG2 ARG 67 2HG ARG 67 -8.760 -6.530 2.337 515 HG3 ARG 67 1HG ARG 67 -10.137 -6.719 1.251 516 HD2 ARG 67 2HD ARG 67 -10.365 -8.099 3.273 517 HD3 ARG 67 1HD ARG 67 -10.291 -9.082 1.811 518 HE ARG 67 HE ARG 67 -7.840 -9.361 2.444 519 HH11 ARG 67 1HH1 ARG 67 -10.341 -8.917 4.786 520 HH12 ARG 67 2HH1 ARG 67 -9.496 -9.810 6.000 521 HH21 ARG 67 1HH2 ARG 67 -6.785 -10.486 4.001 522 HH22 ARG 67 2HH2 ARG 67 -7.500 -10.691 5.562 523 H GLY 68 H GLY 68 -5.597 -5.825 -0.873 524 HA2 GLY 68 2HA GLY 68 -5.020 -7.894 -2.777 525 HA3 GLY 68 1HA GLY 68 -5.259 -6.339 -3.556 526 H ASP 69 H ASP 69 -2.996 -7.003 -4.193 527 HA ASP 69 HA ASP 69 -1.014 -6.039 -2.225 528 HB2 ASP 69 2HB ASP 69 -0.812 -8.439 -2.944 529 HB3 ASP 69 1HB ASP 69 -0.553 -7.879 -4.592 530 H PHE 70 H PHE 70 -0.430 -3.977 -2.703 531 HA PHE 70 HA PHE 70 -0.758 -3.055 -5.485 532 HB2 PHE 70 2HB PHE 70 -0.987 -0.793 -4.544 533 HB3 PHE 70 1HB PHE 70 -2.165 -1.902 -3.855 534 HD1 PHE 70 HD1 PHE 70 -2.038 -2.565 -1.521 535 HD2 PHE 70 HD2 PHE 70 0.815 0.122 -3.196 536 HE1 PHE 70 HE1 PHE 70 -1.310 -1.927 0.742 537 HE2 PHE 70 HE2 PHE 70 1.547 0.762 -0.935 538 HZ PHE 70 HZ PHE 70 0.484 -0.263 1.038 539 HA PRO 71 HA PRO 71 3.617 -2.088 -5.772 540 HB2 PRO 71 2HB PRO 71 3.557 -0.340 -7.837 541 HB3 PRO 71 1HB PRO 71 3.277 -2.071 -8.060 542 HG2 PRO 71 2HG PRO 71 1.285 0.163 -7.877 543 HG3 PRO 71 1HG PRO 71 1.315 -1.219 -8.987 544 HD2 PRO 71 2HD PRO 71 -0.251 -1.119 -6.742 545 HD3 PRO 71 1HD PRO 71 0.352 -2.635 -7.444 546 H GLY 72 H GLY 72 4.497 -0.911 -4.168 547 HA2 GLY 72 2HA GLY 72 3.426 1.357 -2.960 548 HA3 GLY 72 1HA GLY 72 5.093 0.841 -2.816 549 H THR 73 H THR 73 5.156 1.261 -5.927 550 HA THR 73 HA THR 73 6.463 3.739 -5.910 551 HB THR 73 HB THR 73 6.924 2.159 -7.674 552 HG1 THR 73 HG1 THR 73 7.210 3.684 -9.147 553 HG21 THR 73 3HG2 THR 73 4.093 2.634 -8.635 554 HG22 THR 73 1HG2 THR 73 4.697 1.149 -7.897 555 HG23 THR 73 2HG2 THR 73 5.316 1.671 -9.463 556 H TYR 74 H TYR 74 3.056 3.004 -6.460 557 HA TYR 74 HA TYR 74 2.513 5.695 -7.459 558 HB2 TYR 74 2HB TYR 74 0.720 3.295 -7.052 559 HB3 TYR 74 1HB TYR 74 0.145 4.852 -7.636 560 HD1 TYR 74 HD2 TYR 74 1.712 5.794 -9.669 561 HD2 TYR 74 HD1 TYR 74 1.074 1.700 -8.686 562 HE1 TYR 74 HE2 TYR 74 2.274 5.156 -11.976 563 HE2 TYR 74 HE1 TYR 74 1.639 1.054 -10.987 564 HH TYR 74 HH TYR 74 1.514 2.314 -13.327 565 H VAL 75 H VAL 75 3.015 4.655 -4.422 566 HA VAL 75 HA VAL 75 0.955 6.463 -3.319 567 HB VAL 75 HB VAL 75 0.753 5.079 -1.321 568 HG11 VAL 75 1HG1 VAL 75 -0.427 3.156 -2.291 569 HG12 VAL 75 2HG1 VAL 75 0.326 3.484 -3.853 570 HG13 VAL 75 3HG1 VAL 75 -0.796 4.650 -3.151 571 HG21 VAL 75 3HG2 VAL 75 3.007 4.114 -1.292 572 HG22 VAL 75 1HG2 VAL 75 2.611 3.133 -2.703 573 HG23 VAL 75 2HG2 VAL 75 1.775 2.859 -1.174 574 H GLU 76 H GLU 76 1.534 7.782 -1.605 575 HA GLU 76 HA GLU 76 4.394 7.882 -0.920 576 HB2 GLU 76 2HB GLU 76 3.892 10.150 -0.013 577 HB3 GLU 76 1HB GLU 76 3.558 10.000 -1.732 578 HG2 GLU 76 2HG GLU 76 1.168 9.769 -1.252 579 HG3 GLU 76 1HG GLU 76 1.500 9.900 0.473 580 H PHE 77 H PHE 77 5.082 7.884 1.243 581 HA PHE 77 HA PHE 77 3.423 6.362 3.043 582 HB2 PHE 77 2HB PHE 77 5.773 5.849 2.943 583 HB3 PHE 77 1HB PHE 77 6.207 7.512 3.316 584 HD1 PHE 77 HD2 PHE 77 4.334 4.621 4.777 585 HD2 PHE 77 HD1 PHE 77 6.736 8.067 5.501 586 HE1 PHE 77 HE2 PHE 77 4.422 4.056 7.166 587 HE2 PHE 77 HE1 PHE 77 6.820 7.507 7.893 588 HZ PHE 77 HZ PHE 77 5.661 5.500 8.728 589 H LEU 78 H LEU 78 2.149 7.110 4.638 590 HA LEU 78 HA LEU 78 2.217 9.968 5.288 591 HB2 LEU 78 2HB LEU 78 0.234 7.824 6.082 592 HB3 LEU 78 1HB LEU 78 0.080 9.534 6.445 593 HG LEU 78 HG LEU 78 0.059 8.314 3.676 594 HD11 LEU 78 1HD1 LEU 78 -2.184 9.503 5.313 595 HD12 LEU 78 2HD1 LEU 78 -1.969 7.796 4.926 596 HD13 LEU 78 3HD1 LEU 78 -2.302 8.954 3.639 597 HD21 LEU 78 3HD2 LEU 78 -0.608 10.581 2.945 598 HD22 LEU 78 1HD2 LEU 78 1.024 10.530 3.612 599 HD23 LEU 78 2HD2 LEU 78 -0.305 11.174 4.578 600 H GLY 79 H GLY 79 1.726 7.010 7.248 601 HA2 GLY 79 2HA GLY 79 3.887 7.162 8.936 602 HA3 GLY 79 1HA GLY 79 2.730 8.293 9.621 603 HA PRO 80 HA PRO 80 1.702 4.017 11.245 604 HB2 PRO 80 2HB PRO 80 2.229 4.423 13.849 605 HB3 PRO 80 1HB PRO 80 3.507 4.002 12.703 606 HG2 PRO 80 2HG PRO 80 2.760 6.692 13.803 607 HG3 PRO 80 1HG PRO 80 4.372 5.977 13.598 608 HD2 PRO 80 2HD PRO 80 3.273 7.763 11.831 609 HD3 PRO 80 1HD PRO 80 4.466 6.534 11.366 610 H LEU 81 H LEU 81 0.186 3.631 13.301 611 HA LEU 81 HA LEU 81 -1.892 5.738 13.280 612 HB2 LEU 81 2HB LEU 81 -2.261 2.750 13.599 613 HB3 LEU 81 1HB LEU 81 -3.544 3.943 13.686 614 HG LEU 81 HG LEU 81 -2.888 4.567 11.273 615 HD11 LEU 81 1HD1 LEU 81 -1.861 2.765 9.958 616 HD12 LEU 81 2HD1 LEU 81 -1.523 1.882 11.449 617 HD13 LEU 81 3HD1 LEU 81 -0.752 3.440 11.151 618 HD21 LEU 81 3HD2 LEU 81 -4.964 3.439 11.790 619 HD22 LEU 81 1HD2 LEU 81 -4.135 1.881 11.865 620 HD23 LEU 81 2HD2 LEU 81 -4.254 2.747 10.331 621 H GLU 82 H GLU 82 -3.064 6.133 15.231 622 HA GLU 82 HA GLU 82 -1.546 5.366 17.640 623 HB2 GLU 82 2HB GLU 82 -2.501 7.422 18.696 624 HB3 GLU 82 1HB GLU 82 -1.417 7.722 17.350 625 HG2 GLU 82 2HG GLU 82 -4.410 7.710 17.024 626 HG3 GLU 82 1HG GLU 82 -3.521 9.146 17.525 Start of MODEL 15 1 H1 MET 1 1H MET 1 -2.514 3.437 25.871 2 H2 MET 1 2H MET 1 -1.253 2.369 26.230 3 H3 MET 1 3H MET 1 -2.689 1.784 25.554 4 HA MET 1 HA MET 1 -2.276 2.962 23.513 5 HB2 MET 1 2HB MET 1 0.162 3.925 25.008 6 HB3 MET 1 1HB MET 1 0.075 3.959 23.253 7 HG2 MET 1 2HG MET 1 -1.842 5.363 25.105 8 HG3 MET 1 1HG MET 1 -0.480 6.120 24.281 9 HE1 MET 1 3HE MET 1 -0.607 4.503 21.468 10 HE2 MET 1 1HE MET 1 -0.276 6.232 21.598 11 HE3 MET 1 2HE MET 1 -1.531 5.657 20.505 12 H ALA 2 H ALA 2 -2.140 1.112 22.382 13 HA ALA 2 HA ALA 2 -0.086 -0.867 22.845 14 HB1 ALA 2 3HB ALA 2 -2.061 -0.618 20.569 15 HB2 ALA 2 1HB ALA 2 -2.328 -1.504 22.069 16 HB3 ALA 2 2HB ALA 2 -1.080 -2.035 20.942 17 H GLY 3 H GLY 3 -0.543 1.874 20.749 18 HA2 GLY 3 2HA GLY 3 1.407 3.008 19.882 19 HA3 GLY 3 1HA GLY 3 2.162 1.442 19.633 20 HA PRO 4 HA PRO 4 0.318 2.834 15.583 21 HB2 PRO 4 2HB PRO 4 2.565 2.628 14.086 22 HB3 PRO 4 1HB PRO 4 2.183 4.076 15.025 23 HG2 PRO 4 2HG PRO 4 4.042 1.820 15.694 24 HG3 PRO 4 1HG PRO 4 4.282 3.566 15.900 25 HD2 PRO 4 2HD PRO 4 3.543 1.906 17.940 26 HD3 PRO 4 1HD PRO 4 3.092 3.622 17.872 27 H GLU 5 H GLU 5 -0.802 0.772 15.858 28 HA GLU 5 HA GLU 5 0.303 -1.750 15.312 29 HB2 GLU 5 2HB GLU 5 -2.527 -0.760 14.884 30 HB3 GLU 5 1HB GLU 5 -2.043 -2.453 14.866 31 HG2 GLU 5 2HG GLU 5 -1.423 -2.360 17.186 32 HG3 GLU 5 1HG GLU 5 -1.690 -0.618 17.232 33 H GLY 6 H GLY 6 -1.179 0.625 13.147 34 HA2 GLY 6 2HA GLY 6 0.167 -0.676 10.884 35 HA3 GLY 6 1HA GLY 6 -1.567 -0.398 10.773 36 H PHE 7 H PHE 7 0.091 0.678 8.894 37 HA PHE 7 HA PHE 7 0.069 3.554 9.567 38 HB2 PHE 7 2HB PHE 7 1.917 2.085 7.670 39 HB3 PHE 7 1HB PHE 7 1.860 3.834 7.863 40 HD1 PHE 7 HD1 PHE 7 2.120 4.649 10.382 41 HD2 PHE 7 HD2 PHE 7 3.515 0.920 8.866 42 HE1 PHE 7 HE1 PHE 7 3.740 4.509 12.226 43 HE2 PHE 7 HE2 PHE 7 5.132 0.775 10.712 44 HZ PHE 7 HZ PHE 7 5.248 2.570 12.395 45 H GLN 8 H GLN 8 -0.312 5.008 7.751 46 HA GLN 8 HA GLN 8 -2.248 3.869 5.836 47 HB2 GLN 8 2HB GLN 8 -1.973 6.688 6.912 48 HB3 GLN 8 1HB GLN 8 -3.108 6.215 5.654 49 HG2 GLN 8 2HG GLN 8 -4.217 4.698 7.209 50 HG3 GLN 8 1HG GLN 8 -3.073 5.144 8.471 51 HE21 GLN 8 1HE2 GLN 8 -5.970 5.409 8.441 52 HE22 GLN 8 2HE2 GLN 8 -6.302 7.086 8.668 53 H TYR 9 H TYR 9 -1.723 3.830 3.747 54 HA TYR 9 HA TYR 9 0.446 5.587 2.782 55 HB2 TYR 9 2HB TYR 9 -0.536 2.922 1.725 56 HB3 TYR 9 1HB TYR 9 0.659 3.923 0.909 57 HD1 TYR 9 HD1 TYR 9 0.030 1.785 3.850 58 HD2 TYR 9 HD2 TYR 9 2.936 4.067 1.726 59 HE1 TYR 9 HE1 TYR 9 1.815 0.748 5.184 60 HE2 TYR 9 HE2 TYR 9 4.726 3.031 3.057 61 HH TYR 9 HH TYR 9 5.052 1.888 5.171 62 H ARG 10 H ARG 10 0.025 7.060 1.238 63 HA ARG 10 HA ARG 10 -2.767 7.346 0.377 64 HB2 ARG 10 2HB ARG 10 -1.772 9.243 1.530 65 HB3 ARG 10 1HB ARG 10 -0.452 9.293 0.372 66 HG2 ARG 10 2HG ARG 10 -2.122 9.814 -1.412 67 HG3 ARG 10 1HG ARG 10 -3.353 9.929 -0.150 68 HD2 ARG 10 2HD ARG 10 -2.110 11.726 0.927 69 HD3 ARG 10 1HD ARG 10 -0.829 11.586 -0.278 70 HE ARG 10 HE ARG 10 -3.582 12.447 -0.897 71 HH11 ARG 10 1HH1 ARG 10 -0.171 12.642 -1.397 72 HH12 ARG 10 2HH1 ARG 10 -0.317 13.891 -2.579 73 HH21 ARG 10 1HH2 ARG 10 -3.738 14.034 -2.426 74 HH22 ARG 10 2HH2 ARG 10 -2.307 14.657 -3.167 75 H ALA 11 H ALA 11 -3.349 6.814 -1.635 76 HA ALA 11 HA ALA 11 -1.415 6.295 -3.710 77 HB1 ALA 11 3HB ALA 11 -3.437 4.936 -3.510 78 HB2 ALA 11 1HB ALA 11 -3.350 5.723 -5.087 79 HB3 ALA 11 2HB ALA 11 -4.430 6.357 -3.843 80 H LEU 12 H LEU 12 -0.805 7.595 -5.349 81 HA LEU 12 HA LEU 12 -1.377 10.401 -5.129 82 HB2 LEU 12 2HB LEU 12 0.247 8.910 -7.200 83 HB3 LEU 12 1HB LEU 12 0.242 10.649 -6.966 84 HG LEU 12 HG LEU 12 1.204 8.627 -4.929 85 HD11 LEU 12 1HD1 LEU 12 3.446 9.428 -5.454 86 HD12 LEU 12 2HD1 LEU 12 2.794 10.490 -6.700 87 HD13 LEU 12 3HD1 LEU 12 2.677 8.740 -6.886 88 HD21 LEU 12 3HD2 LEU 12 0.301 10.658 -3.901 89 HD22 LEU 12 1HD2 LEU 12 1.353 11.647 -4.917 90 HD23 LEU 12 2HD2 LEU 12 2.050 10.569 -3.708 91 H TYR 13 H TYR 13 -1.745 8.126 -7.873 92 HA TYR 13 HA TYR 13 -3.976 9.771 -8.878 93 HB2 TYR 13 2HB TYR 13 -1.587 8.796 -10.467 94 HB3 TYR 13 1HB TYR 13 -3.058 9.416 -11.209 95 HD1 TYR 13 HD1 TYR 13 -3.751 11.807 -10.701 96 HD2 TYR 13 HD2 TYR 13 0.100 10.280 -9.713 97 HE1 TYR 13 HE1 TYR 13 -2.895 14.103 -10.505 98 HE2 TYR 13 HE2 TYR 13 0.964 12.572 -9.513 99 HH TYR 13 HH TYR 13 0.401 14.840 -10.363 100 HA PRO 14 HA PRO 14 -6.084 5.958 -9.641 101 HB2 PRO 14 2HB PRO 14 -7.264 6.280 -12.081 102 HB3 PRO 14 1HB PRO 14 -7.827 7.080 -10.609 103 HG2 PRO 14 2HG PRO 14 -6.102 8.156 -12.814 104 HG3 PRO 14 1HG PRO 14 -7.450 8.938 -11.967 105 HD2 PRO 14 2HD PRO 14 -4.863 9.466 -11.371 106 HD3 PRO 14 1HD PRO 14 -6.143 9.500 -10.142 107 H PHE 15 H PHE 15 -5.015 4.120 -9.950 108 HA PHE 15 HA PHE 15 -3.805 3.560 -12.586 109 HB2 PHE 15 2HB PHE 15 -2.919 2.616 -9.846 110 HB3 PHE 15 1HB PHE 15 -2.297 1.952 -11.353 111 HD1 PHE 15 HD2 PHE 15 -1.041 3.460 -12.926 112 HD2 PHE 15 HD1 PHE 15 -2.062 4.641 -8.959 113 HE1 PHE 15 HE2 PHE 15 0.648 5.244 -13.023 114 HE2 PHE 15 HE1 PHE 15 -0.372 6.428 -9.059 115 HZ PHE 15 HZ PHE 15 0.985 6.730 -11.090 116 H ARG 16 H ARG 16 -3.957 1.362 -13.338 117 HA ARG 16 HA ARG 16 -6.154 -0.207 -12.151 118 HB2 ARG 16 2HB ARG 16 -6.947 -0.540 -14.593 119 HB3 ARG 16 1HB ARG 16 -7.332 0.978 -13.791 120 HG2 ARG 16 2HG ARG 16 -5.319 1.984 -14.885 121 HG3 ARG 16 1HG ARG 16 -5.138 0.489 -15.800 122 HD2 ARG 16 2HD ARG 16 -7.082 0.867 -17.037 123 HD3 ARG 16 1HD ARG 16 -7.733 2.002 -15.852 124 HE ARG 16 HE ARG 16 -5.466 3.207 -16.738 125 HH11 ARG 16 1HH1 ARG 16 -8.242 1.953 -18.353 126 HH12 ARG 16 2HH1 ARG 16 -8.182 3.148 -19.598 127 HH21 ARG 16 1HH2 ARG 16 -5.417 4.726 -18.326 128 HH22 ARG 16 2HH2 ARG 16 -6.606 4.696 -19.585 129 H ARG 17 H ARG 17 -5.954 -2.416 -12.316 130 HA ARG 17 HA ARG 17 -3.565 -3.426 -13.747 131 HB2 ARG 17 2HB ARG 17 -3.659 -3.670 -11.215 132 HB3 ARG 17 1HB ARG 17 -4.990 -4.796 -11.453 133 HG2 ARG 17 2HG ARG 17 -3.131 -6.176 -11.244 134 HG3 ARG 17 1HG ARG 17 -3.374 -6.080 -12.988 135 HD2 ARG 17 2HD ARG 17 -1.039 -5.818 -12.603 136 HD3 ARG 17 1HD ARG 17 -1.666 -4.220 -13.012 137 HE ARG 17 HE ARG 17 -1.789 -4.287 -10.301 138 HH11 ARG 17 1HH1 ARG 17 0.768 -4.753 -12.578 139 HH12 ARG 17 2HH1 ARG 17 1.992 -4.320 -11.435 140 HH21 ARG 17 1HH2 ARG 17 -0.235 -3.788 -8.864 141 HH22 ARG 17 2HH2 ARG 17 1.429 -3.762 -9.350 142 H GLU 18 H GLU 18 -3.708 -5.425 -14.869 143 HA GLU 18 HA GLU 18 -6.086 -5.929 -16.296 144 HB2 GLU 18 2HB GLU 18 -4.885 -7.930 -17.145 145 HB3 GLU 18 1HB GLU 18 -3.913 -6.466 -17.222 146 HG2 GLU 18 2HG GLU 18 -2.755 -7.144 -15.160 147 HG3 GLU 18 1HG GLU 18 -3.706 -8.626 -15.127 148 H ARG 19 H ARG 19 -4.726 -7.494 -13.424 149 HA ARG 19 HA ARG 19 -7.064 -9.290 -13.292 150 HB2 ARG 19 2HB ARG 19 -4.332 -9.561 -12.028 151 HB3 ARG 19 1HB ARG 19 -5.673 -10.659 -11.731 152 HG2 ARG 19 2HG ARG 19 -5.680 -11.276 -14.111 153 HG3 ARG 19 1HG ARG 19 -4.318 -10.186 -14.387 154 HD2 ARG 19 2HD ARG 19 -3.612 -12.542 -14.135 155 HD3 ARG 19 1HD ARG 19 -2.918 -11.490 -12.899 156 HE ARG 19 HE ARG 19 -5.364 -12.848 -12.147 157 HH11 ARG 19 1HH1 ARG 19 -1.911 -12.974 -12.137 158 HH12 ARG 19 2HH1 ARG 19 -1.863 -14.046 -10.776 159 HH21 ARG 19 1HH2 ARG 19 -5.268 -14.223 -10.430 160 HH22 ARG 19 2HH2 ARG 19 -3.732 -14.753 -9.839 161 HA PRO 20 HA PRO 20 -8.411 -6.782 -9.810 162 HB2 PRO 20 2HB PRO 20 -10.321 -8.976 -9.308 163 HB3 PRO 20 1HB PRO 20 -10.632 -7.288 -9.718 164 HG2 PRO 20 2HG PRO 20 -11.075 -9.263 -11.481 165 HG3 PRO 20 1HG PRO 20 -10.479 -7.674 -11.998 166 HD2 PRO 20 2HD PRO 20 -8.951 -10.229 -11.585 167 HD3 PRO 20 1HD PRO 20 -8.838 -9.054 -12.915 168 H GLU 21 H GLU 21 -6.889 -9.785 -9.614 169 HA GLU 21 HA GLU 21 -7.107 -10.257 -6.798 170 HB2 GLU 21 2HB GLU 21 -6.447 -12.035 -8.371 171 HB3 GLU 21 1HB GLU 21 -4.976 -11.154 -8.766 172 HG2 GLU 21 2HG GLU 21 -4.193 -11.417 -6.463 173 HG3 GLU 21 1HG GLU 21 -5.674 -12.280 -6.053 174 H ASP 22 H ASP 22 -5.261 -8.125 -8.761 175 HA ASP 22 HA ASP 22 -3.241 -7.475 -6.805 176 HB2 ASP 22 2HB ASP 22 -3.227 -7.268 -9.436 177 HB3 ASP 22 1HB ASP 22 -4.014 -5.724 -9.133 178 H LEU 23 H LEU 23 -3.663 -4.459 -7.383 179 HA LEU 23 HA LEU 23 -6.239 -3.918 -6.184 180 HB2 LEU 23 2HB LEU 23 -4.668 -4.493 -4.285 181 HB3 LEU 23 1HB LEU 23 -3.773 -3.040 -4.685 182 HG LEU 23 HG LEU 23 -5.726 -1.659 -4.168 183 HD11 LEU 23 1HD1 LEU 23 -7.084 -4.267 -3.471 184 HD12 LEU 23 2HD1 LEU 23 -7.491 -3.201 -4.817 185 HD13 LEU 23 3HD1 LEU 23 -7.726 -2.655 -3.159 186 HD21 LEU 23 3HD2 LEU 23 -5.068 -3.634 -1.977 187 HD22 LEU 23 1HD2 LEU 23 -5.794 -2.042 -1.751 188 HD23 LEU 23 2HD2 LEU 23 -4.152 -2.179 -2.377 189 H GLU 24 H GLU 24 -7.030 -2.248 -7.279 190 HA GLU 24 HA GLU 24 -5.516 -0.391 -8.768 191 HB2 GLU 24 2HB GLU 24 -8.382 -0.492 -7.878 192 HB3 GLU 24 1HB GLU 24 -7.762 0.966 -8.632 193 HG2 GLU 24 2HG GLU 24 -8.846 -0.343 -10.294 194 HG3 GLU 24 1HG GLU 24 -7.114 -0.380 -10.607 195 H LEU 25 H LEU 25 -5.135 1.820 -8.449 196 HA LEU 25 HA LEU 25 -5.269 2.780 -5.652 197 HB2 LEU 25 2HB LEU 25 -3.250 3.482 -7.796 198 HB3 LEU 25 1HB LEU 25 -3.288 4.161 -6.179 199 HG LEU 25 HG LEU 25 -2.784 1.247 -6.833 200 HD11 LEU 25 1HD1 LEU 25 -0.933 2.690 -7.535 201 HD12 LEU 25 2HD1 LEU 25 -0.485 1.686 -6.156 202 HD13 LEU 25 3HD1 LEU 25 -0.866 3.391 -5.916 203 HD21 LEU 25 3HD2 LEU 25 -3.876 1.540 -4.674 204 HD22 LEU 25 1HD2 LEU 25 -2.661 2.729 -4.205 205 HD23 LEU 25 2HD2 LEU 25 -2.196 1.048 -4.466 206 H LEU 26 H LEU 26 -6.279 4.734 -5.297 207 HA LEU 26 HA LEU 26 -7.239 6.193 -7.689 208 HB2 LEU 26 2HB LEU 26 -8.576 5.581 -5.070 209 HB3 LEU 26 1HB LEU 26 -9.064 6.992 -5.985 210 HG LEU 26 HG LEU 26 -10.567 5.143 -6.435 211 HD11 LEU 26 1HD1 LEU 26 -10.443 5.084 -8.870 212 HD12 LEU 26 2HD1 LEU 26 -8.792 5.703 -8.810 213 HD13 LEU 26 3HD1 LEU 26 -10.132 6.705 -8.252 214 HD21 LEU 26 3HD2 LEU 26 -9.836 3.087 -7.510 215 HD22 LEU 26 1HD2 LEU 26 -9.033 3.291 -5.952 216 HD23 LEU 26 2HD2 LEU 26 -8.159 3.631 -7.448 217 HA PRO 27 HA PRO 27 -5.150 9.849 -6.489 218 HB2 PRO 27 2HB PRO 27 -6.981 11.828 -7.000 219 HB3 PRO 27 1HB PRO 27 -6.075 10.976 -8.254 220 HG2 PRO 27 2HG PRO 27 -8.868 10.487 -7.276 221 HG3 PRO 27 1HG PRO 27 -8.259 10.527 -8.944 222 HD2 PRO 27 2HD PRO 27 -8.707 8.201 -7.668 223 HD3 PRO 27 1HD PRO 27 -7.344 8.392 -8.793 224 H GLY 28 H GLY 28 -4.653 10.258 -4.426 225 HA2 GLY 28 2HA GLY 28 -4.810 11.190 -2.315 226 HA3 GLY 28 1HA GLY 28 -6.399 11.797 -2.746 227 H ASP 29 H ASP 29 -5.822 8.412 -3.106 228 HA ASP 29 HA ASP 29 -7.858 7.815 -1.139 229 HB2 ASP 29 2HB ASP 29 -7.855 6.677 -3.299 230 HB3 ASP 29 1HB ASP 29 -6.251 6.025 -2.980 231 H VAL 30 H VAL 30 -7.598 6.206 0.551 232 HA VAL 30 HA VAL 30 -4.863 6.142 1.682 233 HB VAL 30 HB VAL 30 -7.490 6.205 3.196 234 HG11 VAL 30 1HG1 VAL 30 -5.805 4.872 4.360 235 HG12 VAL 30 2HG1 VAL 30 -6.104 6.387 5.212 236 HG13 VAL 30 3HG1 VAL 30 -4.649 6.201 4.233 237 HG21 VAL 30 3HG2 VAL 30 -6.764 8.424 3.964 238 HG22 VAL 30 1HG2 VAL 30 -6.962 8.374 2.212 239 HG23 VAL 30 2HG2 VAL 30 -5.347 8.319 2.919 240 H LEU 31 H LEU 31 -4.014 4.162 1.689 241 HA LEU 31 HA LEU 31 -5.801 1.829 1.930 242 HB2 LEU 31 2HB LEU 31 -2.968 1.987 0.871 243 HB3 LEU 31 1HB LEU 31 -3.903 0.510 1.032 244 HG LEU 31 HG LEU 31 -5.613 1.621 -0.537 245 HD11 LEU 31 1HD1 LEU 31 -3.250 3.422 -1.059 246 HD12 LEU 31 2HD1 LEU 31 -4.834 3.902 -0.446 247 HD13 LEU 31 3HD1 LEU 31 -4.675 3.287 -2.091 248 HD21 LEU 31 3HD2 LEU 31 -4.160 -0.238 -1.183 249 HD22 LEU 31 1HD2 LEU 31 -2.892 0.907 -1.626 250 HD23 LEU 31 2HD2 LEU 31 -4.416 0.888 -2.515 251 H VAL 32 H VAL 32 -5.628 0.440 3.604 252 HA VAL 32 HA VAL 32 -3.944 1.291 5.842 253 HB VAL 32 HB VAL 32 -6.221 -0.709 5.766 254 HG11 VAL 32 1HG1 VAL 32 -4.676 -1.197 7.584 255 HG12 VAL 32 2HG1 VAL 32 -6.183 -0.536 8.222 256 HG13 VAL 32 3HG1 VAL 32 -4.746 0.484 8.119 257 HG21 VAL 32 3HG2 VAL 32 -6.944 1.594 5.277 258 HG22 VAL 32 1HG2 VAL 32 -6.178 2.147 6.768 259 HG23 VAL 32 2HG2 VAL 32 -7.551 1.041 6.838 260 H VAL 33 H VAL 33 -2.012 0.345 6.129 261 HA VAL 33 HA VAL 33 -1.763 -2.569 5.665 262 HB VAL 33 HB VAL 33 0.387 -0.501 5.129 263 HG11 VAL 33 1HG1 VAL 33 1.326 -2.598 5.943 264 HG12 VAL 33 2HG1 VAL 33 1.685 -2.389 4.229 265 HG13 VAL 33 3HG1 VAL 33 0.409 -3.500 4.734 266 HG21 VAL 33 3HG2 VAL 33 -1.332 -0.423 3.414 267 HG22 VAL 33 1HG2 VAL 33 -1.242 -2.173 3.204 268 HG23 VAL 33 2HG2 VAL 33 0.132 -1.158 2.761 269 H SER 34 H SER 34 -1.334 -3.618 7.513 270 HA SER 34 HA SER 34 -0.544 -2.228 9.904 271 HB2 SER 34 2HB SER 34 -0.772 -4.351 11.027 272 HB3 SER 34 1HB SER 34 -2.101 -4.199 9.879 273 HG SER 34 HG SER 34 -1.431 -6.044 9.130 274 H ARG 35 H ARG 35 1.346 -2.663 11.220 275 HA ARG 35 HA ARG 35 3.786 -2.867 9.809 276 HB2 ARG 35 2HB ARG 35 3.362 -3.410 12.762 277 HB3 ARG 35 1HB ARG 35 4.891 -3.036 11.980 278 HG2 ARG 35 2HG ARG 35 3.839 -0.818 11.312 279 HG3 ARG 35 1HG ARG 35 2.544 -1.215 12.441 280 HD2 ARG 35 2HD ARG 35 4.003 0.087 13.719 281 HD3 ARG 35 1HD ARG 35 4.432 -1.564 14.165 282 HE ARG 35 HE ARG 35 6.010 -0.486 12.006 283 HH11 ARG 35 1HH1 ARG 35 5.742 -0.770 15.439 284 HH12 ARG 35 2HH1 ARG 35 7.412 -0.415 15.692 285 HH21 ARG 35 1HH2 ARG 35 8.127 -0.007 12.362 286 HH22 ARG 35 2HH2 ARG 35 8.743 0.014 13.980 287 H ALA 36 H ALA 36 1.686 -5.273 11.183 288 HA ALA 36 HA ALA 36 3.444 -7.483 11.213 289 HB1 ALA 36 3HB ALA 36 1.419 -8.853 11.222 290 HB2 ALA 36 1HB ALA 36 0.455 -7.448 10.762 291 HB3 ALA 36 2HB ALA 36 1.261 -7.490 12.330 292 H ALA 37 H ALA 37 1.174 -6.335 8.700 293 HA ALA 37 HA ALA 37 1.822 -8.176 6.692 294 HB1 ALA 37 3HB ALA 37 0.949 -6.492 5.111 295 HB2 ALA 37 1HB ALA 37 0.960 -5.292 6.405 296 HB3 ALA 37 2HB ALA 37 -0.100 -6.697 6.515 297 H LEU 38 H LEU 38 3.313 -5.053 7.498 298 HA LEU 38 HA LEU 38 5.233 -4.945 5.464 299 HB2 LEU 38 2HB LEU 38 5.380 -3.925 8.305 300 HB3 LEU 38 1HB LEU 38 6.514 -3.489 7.042 301 HG LEU 38 HG LEU 38 3.549 -2.893 6.973 302 HD11 LEU 38 1HD1 LEU 38 4.645 -1.604 8.717 303 HD12 LEU 38 2HD1 LEU 38 4.202 -0.564 7.364 304 HD13 LEU 38 3HD1 LEU 38 5.879 -1.070 7.574 305 HD21 LEU 38 3HD2 LEU 38 4.135 -1.445 5.074 306 HD22 LEU 38 1HD2 LEU 38 4.492 -3.141 4.746 307 HD23 LEU 38 2HD2 LEU 38 5.799 -2.028 5.152 308 H GLN 39 H GLN 39 5.553 -6.327 8.758 309 HA GLN 39 HA GLN 39 8.165 -7.329 8.430 310 HB2 GLN 39 2HB GLN 39 5.921 -8.312 10.208 311 HB3 GLN 39 1HB GLN 39 7.581 -8.882 10.313 312 HG2 GLN 39 2HG GLN 39 6.622 -6.063 10.796 313 HG3 GLN 39 1HG GLN 39 7.133 -7.223 12.020 314 HE21 GLN 39 1HE2 GLN 39 8.195 -4.585 11.479 315 HE22 GLN 39 2HE2 GLN 39 9.868 -4.806 11.109 316 H ALA 40 H ALA 40 5.027 -8.705 7.604 317 HA ALA 40 HA ALA 40 5.909 -11.287 6.864 318 HB1 ALA 40 3HB ALA 40 3.794 -11.460 5.647 319 HB2 ALA 40 1HB ALA 40 3.548 -9.721 5.820 320 HB3 ALA 40 2HB ALA 40 3.554 -10.758 7.246 321 H LEU 41 H LEU 41 6.153 -8.219 5.264 322 HA LEU 41 HA LEU 41 6.819 -9.347 2.668 323 HB2 LEU 41 2HB LEU 41 6.991 -6.520 3.728 324 HB3 LEU 41 1HB LEU 41 7.328 -6.982 2.070 325 HG LEU 41 HG LEU 41 4.652 -7.292 3.443 326 HD11 LEU 41 1HD1 LEU 41 3.930 -5.453 1.981 327 HD12 LEU 41 2HD1 LEU 41 5.590 -5.260 1.415 328 HD13 LEU 41 3HD1 LEU 41 5.191 -4.947 3.106 329 HD21 LEU 41 3HD2 LEU 41 3.814 -7.811 1.207 330 HD22 LEU 41 1HD2 LEU 41 5.042 -8.973 1.705 331 HD23 LEU 41 2HD2 LEU 41 5.448 -7.698 0.555 332 H GLY 42 H GLY 42 8.471 -9.106 5.540 333 HA2 GLY 42 2HA GLY 42 10.701 -9.271 6.098 334 HA3 GLY 42 1HA GLY 42 11.024 -9.613 4.403 335 H VAL 43 H VAL 43 9.627 -6.719 5.897 336 HA VAL 43 HA VAL 43 11.340 -4.976 4.393 337 HB VAL 43 HB VAL 43 9.361 -4.362 6.604 338 HG11 VAL 43 1HG1 VAL 43 9.461 -2.031 5.813 339 HG12 VAL 43 2HG1 VAL 43 10.765 -2.471 4.709 340 HG13 VAL 43 3HG1 VAL 43 11.011 -2.578 6.452 341 HG21 VAL 43 3HG2 VAL 43 7.885 -3.636 4.786 342 HG22 VAL 43 1HG2 VAL 43 8.323 -5.335 4.613 343 HG23 VAL 43 2HG2 VAL 43 9.098 -4.117 3.599 344 H ALA 44 H ALA 44 13.006 -3.685 5.113 345 HA ALA 44 HA ALA 44 14.632 -4.658 7.218 346 HB1 ALA 44 3HB ALA 44 14.859 -2.027 5.756 347 HB2 ALA 44 1HB ALA 44 15.505 -3.566 5.183 348 HB3 ALA 44 2HB ALA 44 16.130 -2.845 6.666 349 H GLU 45 H GLU 45 15.270 -3.674 9.166 350 HA GLU 45 HA GLU 45 13.317 -2.624 10.818 351 HB2 GLU 45 2HB GLU 45 15.347 -3.658 11.665 352 HB3 GLU 45 1HB GLU 45 16.325 -2.354 11.011 353 HG2 GLU 45 2HG GLU 45 16.084 -2.113 13.402 354 HG3 GLU 45 1HG GLU 45 15.285 -0.783 12.569 355 H GLY 46 H GLY 46 12.180 -0.836 10.263 356 HA2 GLY 46 2HA GLY 46 11.921 1.516 10.539 357 HA3 GLY 46 1HA GLY 46 13.622 1.729 10.169 358 H GLY 47 H GLY 47 12.771 -0.337 7.860 359 HA2 GLY 47 2HA GLY 47 12.721 1.665 5.816 360 HA3 GLY 47 1HA GLY 47 12.622 -0.068 5.579 361 H GLU 48 H GLU 48 10.213 0.679 7.702 362 HA GLU 48 HA GLU 48 8.085 0.183 5.945 363 HB2 GLU 48 2HB GLU 48 6.643 0.797 7.816 364 HB3 GLU 48 1HB GLU 48 7.996 -0.176 8.376 365 HG2 GLU 48 2HG GLU 48 9.013 2.310 8.720 366 HG3 GLU 48 1HG GLU 48 7.300 2.629 8.969 367 H ARG 49 H ARG 49 9.795 3.072 6.581 368 HA ARG 49 HA ARG 49 7.766 4.898 5.600 369 HB2 ARG 49 2HB ARG 49 9.698 6.560 5.761 370 HB3 ARG 49 1HB ARG 49 9.176 5.809 7.263 371 HG2 ARG 49 2HG ARG 49 11.046 4.249 7.162 372 HG3 ARG 49 1HG ARG 49 11.560 4.943 5.625 373 HD2 ARG 49 2HD ARG 49 12.297 6.911 6.613 374 HD3 ARG 49 1HD ARG 49 11.279 6.698 8.039 375 HE ARG 49 HE ARG 49 12.822 4.853 8.663 376 HH11 ARG 49 1HH1 ARG 49 13.973 7.232 6.438 377 HH12 ARG 49 2HH1 ARG 49 15.606 7.101 6.990 378 HH21 ARG 49 1HH2 ARG 49 14.911 4.685 9.331 379 HH22 ARG 49 2HH2 ARG 49 16.135 5.668 8.600 380 H CYS 50 H CYS 50 9.375 2.666 3.953 381 HA CYS 50 HA CYS 50 9.725 4.375 1.571 382 HB2 CYS 50 2HB CYS 50 11.618 2.166 2.412 383 HB3 CYS 50 1HB CYS 50 11.736 3.119 0.936 384 HG CYS 50 HG CYS 50 13.269 3.694 3.637 385 HA PRO 51 HA PRO 51 6.938 0.743 0.601 386 HB2 PRO 51 2HB PRO 51 5.278 2.207 -1.029 387 HB3 PRO 51 1HB PRO 51 5.038 2.008 0.710 388 HG2 PRO 51 2HG PRO 51 6.275 4.295 -0.780 389 HG3 PRO 51 1HG PRO 51 5.146 4.329 0.589 390 HD2 PRO 51 2HD PRO 51 7.792 4.741 0.915 391 HD3 PRO 51 1HD PRO 51 6.816 3.903 2.140 392 H GLN 52 H GLN 52 8.359 3.232 -1.494 393 HA GLN 52 HA GLN 52 8.183 1.862 -3.944 394 HB2 GLN 52 2HB GLN 52 8.751 4.235 -3.814 395 HB3 GLN 52 1HB GLN 52 10.255 3.859 -2.988 396 HG2 GLN 52 2HG GLN 52 11.035 2.670 -5.006 397 HG3 GLN 52 1HG GLN 52 9.545 3.134 -5.826 398 HE21 GLN 52 1HE2 GLN 52 12.352 3.768 -6.421 399 HE22 GLN 52 2HE2 GLN 52 12.427 5.491 -6.492 400 H SER 53 H SER 53 10.577 1.704 -1.356 401 HA SER 53 HA SER 53 12.560 0.209 -2.686 402 HB2 SER 53 2HB SER 53 12.990 1.342 -0.556 403 HB3 SER 53 1HB SER 53 11.868 0.260 0.266 404 HG SER 53 HG SER 53 14.474 -0.112 -0.328 405 H VAL 54 H VAL 54 9.706 -0.826 -0.863 406 HA VAL 54 HA VAL 54 10.330 -3.627 -1.002 407 HB VAL 54 HB VAL 54 7.667 -2.319 -0.388 408 HG11 VAL 54 1HG1 VAL 54 8.695 -5.098 0.218 409 HG12 VAL 54 2HG1 VAL 54 7.436 -4.676 -0.943 410 HG13 VAL 54 3HG1 VAL 54 7.163 -4.428 0.781 411 HG21 VAL 54 3HG2 VAL 54 9.423 -1.509 1.118 412 HG22 VAL 54 1HG2 VAL 54 9.862 -3.172 1.513 413 HG23 VAL 54 2HG2 VAL 54 8.279 -2.543 1.973 414 H GLY 55 H GLY 55 8.213 -1.434 -2.822 415 HA2 GLY 55 2HA GLY 55 7.623 -1.630 -5.079 416 HA3 GLY 55 1HA GLY 55 8.266 -3.262 -5.089 417 H TRP 56 H TRP 56 6.926 -4.882 -3.812 418 HA TRP 56 HA TRP 56 4.083 -4.475 -4.458 419 HB2 TRP 56 2HB TRP 56 3.872 -6.917 -4.306 420 HB3 TRP 56 1HB TRP 56 5.153 -6.470 -5.425 421 HD1 TRP 56 HD1 TRP 56 7.751 -6.570 -4.230 422 HE1 TRP 56 HE1 TRP 56 8.677 -8.417 -2.692 423 HE3 TRP 56 HE3 TRP 56 3.336 -8.629 -2.685 424 HZ2 TRP 56 HZ2 TRP 56 7.667 -10.476 -1.043 425 HZ3 TRP 56 HZ3 TRP 56 3.398 -10.533 -1.127 426 HH2 TRP 56 HH2 TRP 56 5.520 -11.437 -0.325 427 H MET 57 H MET 57 2.546 -4.298 -2.894 428 HA MET 57 HA MET 57 3.187 -5.084 -0.145 429 HB2 MET 57 2HB MET 57 2.325 -2.282 -0.901 430 HB3 MET 57 1HB MET 57 2.493 -2.886 0.741 431 HG2 MET 57 2HG MET 57 4.885 -3.196 0.399 432 HG3 MET 57 1HG MET 57 4.730 -2.635 -1.264 433 HE1 MET 57 3HE MET 57 2.861 -1.208 1.911 434 HE2 MET 57 1HE MET 57 3.985 0.053 2.418 435 HE3 MET 57 2HE MET 57 4.454 -1.645 2.529 436 HA PRO 58 HA PRO 58 -1.215 -6.062 -0.539 437 HB2 PRO 58 2HB PRO 58 -1.385 -7.744 1.545 438 HB3 PRO 58 1HB PRO 58 -0.556 -8.212 0.053 439 HG2 PRO 58 2HG PRO 58 0.607 -7.256 2.646 440 HG3 PRO 58 1HG PRO 58 1.153 -8.577 1.596 441 HD2 PRO 58 2HD PRO 58 2.257 -6.047 1.613 442 HD3 PRO 58 1HD PRO 58 2.330 -7.157 0.231 443 H GLY 59 H GLY 59 -2.983 -5.069 0.324 444 HA2 GLY 59 2HA GLY 59 -3.113 -4.251 3.084 445 HA3 GLY 59 1HA GLY 59 -2.850 -2.899 1.993 446 H LEU 60 H LEU 60 -5.036 -2.649 3.394 447 HA LEU 60 HA LEU 60 -7.283 -3.735 1.833 448 HB2 LEU 60 2HB LEU 60 -7.353 -4.029 4.274 449 HB3 LEU 60 1HB LEU 60 -7.265 -2.292 4.490 450 HG LEU 60 HG LEU 60 -9.465 -2.021 3.443 451 HD11 LEU 60 1HD1 LEU 60 -9.456 -5.031 3.208 452 HD12 LEU 60 2HD1 LEU 60 -9.415 -3.875 1.875 453 HD13 LEU 60 3HD1 LEU 60 -10.841 -3.982 2.904 454 HD21 LEU 60 3HD2 LEU 60 -9.367 -2.353 5.854 455 HD22 LEU 60 1HD2 LEU 60 -9.448 -4.101 5.634 456 HD23 LEU 60 2HD2 LEU 60 -10.821 -3.090 5.184 457 H ASN 61 H ASN 61 -8.135 -2.514 0.280 458 HA ASN 61 HA ASN 61 -7.551 0.337 0.150 459 HB2 ASN 61 2HB ASN 61 -7.290 -1.025 -1.870 460 HB3 ASN 61 1HB ASN 61 -8.983 -1.503 -1.790 461 HD21 ASN 61 1HD2 ASN 61 -6.784 1.112 -2.431 462 HD22 ASN 61 2HD2 ASN 61 -7.919 2.136 -3.224 463 H GLU 62 H GLU 62 -8.834 1.489 1.533 464 HA GLU 62 HA GLU 62 -11.514 0.811 2.165 465 HB2 GLU 62 2HB GLU 62 -10.092 3.456 2.528 466 HB3 GLU 62 1HB GLU 62 -11.611 2.998 3.290 467 HG2 GLU 62 2HG GLU 62 -10.343 1.060 4.332 468 HG3 GLU 62 1HG GLU 62 -8.871 1.858 3.780 469 H ARG 63 H ARG 63 -10.171 2.581 -0.470 470 HA ARG 63 HA ARG 63 -12.281 4.268 -1.195 471 HB2 ARG 63 2HB ARG 63 -9.943 4.085 -2.213 472 HB3 ARG 63 1HB ARG 63 -10.561 2.738 -3.150 473 HG2 ARG 63 2HG ARG 63 -10.675 4.579 -4.578 474 HG3 ARG 63 1HG ARG 63 -12.331 4.344 -4.019 475 HD2 ARG 63 2HD ARG 63 -12.154 6.176 -2.490 476 HD3 ARG 63 1HD ARG 63 -10.413 6.296 -2.743 477 HE ARG 63 HE ARG 63 -12.102 6.724 -5.070 478 HH11 ARG 63 1HH1 ARG 63 -10.319 8.168 -2.494 479 HH12 ARG 63 2HH1 ARG 63 -10.144 9.673 -3.328 480 HH21 ARG 63 1HH2 ARG 63 -11.857 8.650 -6.116 481 HH22 ARG 63 2HH2 ARG 63 -10.989 9.940 -5.359 482 H THR 64 H THR 64 -11.657 0.899 -2.168 483 HA THR 64 HA THR 64 -14.400 0.726 -3.271 484 HB THR 64 HB THR 64 -13.597 -1.200 -4.590 485 HG1 THR 64 HG1 THR 64 -10.927 -0.583 -3.911 486 HG21 THR 64 3HG2 THR 64 -11.886 1.278 -4.916 487 HG22 THR 64 1HG2 THR 64 -13.491 1.027 -5.603 488 HG23 THR 64 2HG2 THR 64 -12.136 0.036 -6.144 489 H ARG 65 H ARG 65 -12.734 -0.082 -0.553 490 HA ARG 65 HA ARG 65 -13.011 -1.529 1.166 491 HB2 ARG 65 2HB ARG 65 -15.653 -2.004 -0.223 492 HB3 ARG 65 1HB ARG 65 -15.223 -2.817 1.272 493 HG2 ARG 65 2HG ARG 65 -16.571 -0.968 1.865 494 HG3 ARG 65 1HG ARG 65 -14.920 -0.550 2.317 495 HD2 ARG 65 2HD ARG 65 -14.708 0.796 0.277 496 HD3 ARG 65 1HD ARG 65 -16.355 0.361 -0.186 497 HE ARG 65 HE ARG 65 -15.763 1.866 2.285 498 HH11 ARG 65 1HH1 ARG 65 -17.490 1.527 -0.683 499 HH12 ARG 65 2HH1 ARG 65 -18.587 2.815 -0.314 500 HH21 ARG 65 1HH2 ARG 65 -17.178 3.502 2.741 501 HH22 ARG 65 2HH2 ARG 65 -18.422 3.904 1.606 502 H GLN 66 H GLN 66 -11.830 -2.408 -1.485 503 HA GLN 66 HA GLN 66 -12.208 -5.319 -1.272 504 HB2 GLN 66 2HB GLN 66 -10.971 -3.628 -3.454 505 HB3 GLN 66 1HB GLN 66 -10.982 -5.385 -3.467 506 HG2 GLN 66 2HG GLN 66 -13.428 -3.624 -3.457 507 HG3 GLN 66 1HG GLN 66 -12.751 -4.433 -4.868 508 HE21 GLN 66 1HE2 GLN 66 -12.943 -6.684 -5.035 509 HE22 GLN 66 2HE2 GLN 66 -14.083 -7.575 -4.094 510 H ARG 67 H ARG 67 -10.360 -6.723 -1.340 511 HA ARG 67 HA ARG 67 -7.968 -5.587 -0.038 512 HB2 ARG 67 2HB ARG 67 -8.728 -8.505 -0.301 513 HB3 ARG 67 1HB ARG 67 -7.500 -7.812 0.749 514 HG2 ARG 67 2HG ARG 67 -9.140 -6.827 2.168 515 HG3 ARG 67 1HG ARG 67 -10.439 -7.207 1.030 516 HD2 ARG 67 2HD ARG 67 -8.785 -9.166 2.633 517 HD3 ARG 67 1HD ARG 67 -10.504 -8.811 2.830 518 HE ARG 67 HE ARG 67 -10.432 -9.649 0.299 519 HH11 ARG 67 1HH1 ARG 67 -9.064 -11.002 3.151 520 HH12 ARG 67 2HH1 ARG 67 -9.086 -12.612 2.519 521 HH21 ARG 67 1HH2 ARG 67 -10.463 -11.713 -0.492 522 HH22 ARG 67 2HH2 ARG 67 -9.863 -13.012 0.482 523 H GLY 68 H GLY 68 -5.855 -6.129 -0.831 524 HA2 GLY 68 2HA GLY 68 -5.323 -7.907 -2.923 525 HA3 GLY 68 1HA GLY 68 -5.612 -6.333 -3.645 526 H ASP 69 H ASP 69 -3.303 -7.135 -4.269 527 HA ASP 69 HA ASP 69 -1.345 -6.063 -2.336 528 HB2 ASP 69 2HB ASP 69 -1.032 -8.430 -3.050 529 HB3 ASP 69 1HB ASP 69 -0.880 -7.887 -4.716 530 H PHE 70 H PHE 70 -0.878 -3.971 -2.785 531 HA PHE 70 HA PHE 70 -1.180 -3.034 -5.558 532 HB2 PHE 70 2HB PHE 70 -1.422 -0.782 -4.623 533 HB3 PHE 70 1HB PHE 70 -2.571 -1.891 -3.888 534 HD1 PHE 70 HD1 PHE 70 -2.339 -2.563 -1.550 535 HD2 PHE 70 HD2 PHE 70 0.363 0.218 -3.325 536 HE1 PHE 70 HE1 PHE 70 -1.567 -1.884 0.683 537 HE2 PHE 70 HE2 PHE 70 1.136 0.888 -1.091 538 HZ PHE 70 HZ PHE 70 0.172 -0.161 0.914 539 HA PRO 71 HA PRO 71 3.190 -2.184 -5.958 540 HB2 PRO 71 2HB PRO 71 3.102 -0.184 -7.808 541 HB3 PRO 71 1HB PRO 71 2.822 -1.881 -8.209 542 HG2 PRO 71 2HG PRO 71 0.830 0.313 -7.747 543 HG3 PRO 71 1HG PRO 71 0.832 -0.956 -8.987 544 HD2 PRO 71 2HD PRO 71 -0.690 -1.096 -6.740 545 HD3 PRO 71 1HD PRO 71 -0.047 -2.534 -7.557 546 H GLY 72 H GLY 72 3.867 -1.326 -4.014 547 HA2 GLY 72 2HA GLY 72 3.015 1.047 -2.809 548 HA3 GLY 72 1HA GLY 72 4.532 0.234 -2.466 549 H THR 73 H THR 73 5.165 0.709 -5.476 550 HA THR 73 HA THR 73 6.784 2.996 -5.107 551 HB THR 73 HB THR 73 7.393 1.276 -6.727 552 HG1 THR 73 HG1 THR 73 6.942 3.867 -7.852 553 HG21 THR 73 3HG2 THR 73 5.028 2.258 -8.336 554 HG22 THR 73 1HG2 THR 73 5.173 0.681 -7.558 555 HG23 THR 73 2HG2 THR 73 6.242 1.108 -8.895 556 H TYR 74 H TYR 74 3.462 2.806 -5.857 557 HA TYR 74 HA TYR 74 3.456 5.501 -7.064 558 HB2 TYR 74 2HB TYR 74 1.325 3.356 -7.058 559 HB3 TYR 74 1HB TYR 74 1.121 4.959 -7.754 560 HD1 TYR 74 HD2 TYR 74 3.367 5.516 -9.346 561 HD2 TYR 74 HD1 TYR 74 1.560 1.723 -8.662 562 HE1 TYR 74 HE2 TYR 74 4.248 4.712 -11.495 563 HE2 TYR 74 HE1 TYR 74 2.433 0.911 -10.811 564 HH TYR 74 HH TYR 74 3.177 1.823 -12.951 565 H VAL 75 H VAL 75 3.340 4.382 -4.051 566 HA VAL 75 HA VAL 75 1.253 6.311 -3.224 567 HB VAL 75 HB VAL 75 0.708 4.939 -1.289 568 HG11 VAL 75 1HG1 VAL 75 0.579 3.334 -3.845 569 HG12 VAL 75 2HG1 VAL 75 -0.574 4.565 -3.333 570 HG13 VAL 75 3HG1 VAL 75 -0.413 3.070 -2.411 571 HG21 VAL 75 3HG2 VAL 75 2.868 3.879 -0.904 572 HG22 VAL 75 1HG2 VAL 75 2.693 2.941 -2.390 573 HG23 VAL 75 2HG2 VAL 75 1.603 2.656 -1.033 574 H GLU 76 H GLU 76 1.593 7.383 -1.188 575 HA GLU 76 HA GLU 76 4.436 7.486 -0.384 576 HB2 GLU 76 2HB GLU 76 4.077 9.792 0.300 577 HB3 GLU 76 1HB GLU 76 3.603 9.578 -1.380 578 HG2 GLU 76 2HG GLU 76 1.269 9.551 -0.767 579 HG3 GLU 76 1HG GLU 76 1.687 9.614 0.945 580 H PHE 77 H PHE 77 4.976 7.599 1.795 581 HA PHE 77 HA PHE 77 3.184 6.272 3.614 582 HB2 PHE 77 2HB PHE 77 5.547 5.738 3.646 583 HB3 PHE 77 1HB PHE 77 5.968 7.417 3.950 584 HD1 PHE 77 HD2 PHE 77 4.023 4.602 5.461 585 HD2 PHE 77 HD1 PHE 77 6.385 8.091 6.123 586 HE1 PHE 77 HE2 PHE 77 4.017 4.150 7.876 587 HE2 PHE 77 HE1 PHE 77 6.377 7.638 8.541 588 HZ PHE 77 HZ PHE 77 5.190 5.668 9.420 589 H LEU 78 H LEU 78 1.668 7.288 4.799 590 HA LEU 78 HA LEU 78 1.841 10.164 5.284 591 HB2 LEU 78 2HB LEU 78 -0.330 8.170 5.969 592 HB3 LEU 78 1HB LEU 78 -0.445 9.906 6.201 593 HG LEU 78 HG LEU 78 -0.167 8.515 3.529 594 HD11 LEU 78 1HD1 LEU 78 -2.562 9.822 4.824 595 HD12 LEU 78 2HD1 LEU 78 -2.342 8.096 4.532 596 HD13 LEU 78 3HD1 LEU 78 -2.494 9.207 3.173 597 HD21 LEU 78 3HD2 LEU 78 0.857 10.733 3.533 598 HD22 LEU 78 1HD2 LEU 78 -0.626 11.429 4.188 599 HD23 LEU 78 2HD2 LEU 78 -0.619 10.722 2.572 600 H GLY 79 H GLY 79 1.164 7.295 7.314 601 HA2 GLY 79 2HA GLY 79 2.974 7.459 9.284 602 HA3 GLY 79 1HA GLY 79 1.887 8.769 9.721 603 HA PRO 80 HA PRO 80 0.296 4.891 11.774 604 HB2 PRO 80 2HB PRO 80 -0.400 6.132 14.110 605 HB3 PRO 80 1HB PRO 80 1.215 5.489 13.796 606 HG2 PRO 80 2HG PRO 80 0.224 8.312 13.555 607 HG3 PRO 80 1HG PRO 80 1.735 7.714 14.270 608 HD2 PRO 80 2HD PRO 80 1.656 8.767 11.784 609 HD3 PRO 80 1HD PRO 80 2.749 7.431 12.203 610 H LEU 81 H LEU 81 -1.854 4.260 12.013 611 HA LEU 81 HA LEU 81 -3.819 6.165 10.998 612 HB2 LEU 81 2HB LEU 81 -5.295 4.082 10.890 613 HB3 LEU 81 1HB LEU 81 -3.938 4.196 9.790 614 HG LEU 81 HG LEU 81 -2.647 2.701 11.360 615 HD11 LEU 81 1HD1 LEU 81 -5.358 2.308 12.629 616 HD12 LEU 81 2HD1 LEU 81 -3.922 2.986 13.397 617 HD13 LEU 81 3HD1 LEU 81 -3.942 1.294 12.909 618 HD21 LEU 81 3HD2 LEU 81 -3.662 1.899 9.290 619 HD22 LEU 81 1HD2 LEU 81 -5.165 1.571 10.151 620 HD23 LEU 81 2HD2 LEU 81 -3.704 0.666 10.552 621 H GLU 82 H GLU 82 -5.797 6.590 11.950 622 HA GLU 82 HA GLU 82 -6.713 5.443 14.380 623 HB2 GLU 82 2HB GLU 82 -4.940 6.791 15.385 624 HB3 GLU 82 1HB GLU 82 -5.529 8.231 14.564 625 HG2 GLU 82 2HG GLU 82 -7.566 8.182 15.863 626 HG3 GLU 82 1HG GLU 82 -7.082 6.664 16.620 Start of MODEL 16 1 H1 MET 1 1H MET 1 -5.388 -6.888 17.743 2 H2 MET 1 2H MET 1 -5.118 -5.883 19.078 3 H3 MET 1 3H MET 1 -4.003 -7.098 18.691 4 HA MET 1 HA MET 1 -3.427 -6.018 16.645 5 HB2 MET 1 2HB MET 1 -4.324 -3.776 16.126 6 HB3 MET 1 1HB MET 1 -5.579 -5.006 16.140 7 HG2 MET 1 2HG MET 1 -6.398 -3.002 17.189 8 HG3 MET 1 1HG MET 1 -6.246 -4.277 18.394 9 HE1 MET 1 3HE MET 1 -6.592 -1.220 19.237 10 HE2 MET 1 1HE MET 1 -5.392 -1.118 20.524 11 HE3 MET 1 2HE MET 1 -6.404 -2.555 20.378 12 H ALA 2 H ALA 2 -3.437 -5.404 19.952 13 HA ALA 2 HA ALA 2 -1.969 -2.955 20.032 14 HB1 ALA 2 3HB ALA 2 -1.748 -3.372 22.415 15 HB2 ALA 2 1HB ALA 2 -2.317 -5.027 22.196 16 HB3 ALA 2 2HB ALA 2 -3.402 -3.673 21.883 17 H GLY 3 H GLY 3 -0.076 -3.038 18.908 18 HA2 GLY 3 2HA GLY 3 2.312 -3.736 19.956 19 HA3 GLY 3 1HA GLY 3 1.794 -5.241 19.206 20 HA PRO 4 HA PRO 4 2.973 -3.395 15.247 21 HB2 PRO 4 2HB PRO 4 1.277 -4.543 13.497 22 HB3 PRO 4 1HB PRO 4 2.527 -5.480 14.324 23 HG2 PRO 4 2HG PRO 4 -0.400 -5.300 14.911 24 HG3 PRO 4 1HG PRO 4 0.670 -6.711 14.966 25 HD2 PRO 4 2HD PRO 4 -0.119 -5.232 17.178 26 HD3 PRO 4 1HD PRO 4 1.320 -6.266 17.112 27 H GLU 5 H GLU 5 2.536 -1.210 15.334 28 HA GLU 5 HA GLU 5 0.062 -0.014 15.789 29 HB2 GLU 5 2HB GLU 5 2.384 1.223 14.296 30 HB3 GLU 5 1HB GLU 5 1.104 2.082 15.142 31 HG2 GLU 5 2HG GLU 5 3.194 0.314 16.404 32 HG3 GLU 5 1HG GLU 5 3.173 2.076 16.420 33 H GLY 6 H GLY 6 1.431 -1.074 12.751 34 HA2 GLY 6 2HA GLY 6 0.418 -1.239 10.663 35 HA3 GLY 6 1HA GLY 6 -1.019 -0.479 11.333 36 H PHE 7 H PHE 7 -0.120 0.235 8.802 37 HA PHE 7 HA PHE 7 0.783 2.992 9.270 38 HB2 PHE 7 2HB PHE 7 1.982 1.125 7.207 39 HB3 PHE 7 1HB PHE 7 2.305 2.855 7.306 40 HD1 PHE 7 HD1 PHE 7 3.245 3.730 9.549 41 HD2 PHE 7 HD2 PHE 7 3.327 -0.368 8.389 42 HE1 PHE 7 HE1 PHE 7 5.051 3.312 11.165 43 HE2 PHE 7 HE2 PHE 7 5.137 -0.788 10.000 44 HZ PHE 7 HZ PHE 7 5.999 1.050 11.393 45 H GLN 8 H GLN 8 0.352 4.469 7.541 46 HA GLN 8 HA GLN 8 -1.922 3.677 5.829 47 HB2 GLN 8 2HB GLN 8 -1.476 6.328 7.234 48 HB3 GLN 8 1HB GLN 8 -2.808 5.968 6.147 49 HG2 GLN 8 2HG GLN 8 -3.634 4.279 7.692 50 HG3 GLN 8 1HG GLN 8 -2.279 4.591 8.775 51 HE21 GLN 8 1HE2 GLN 8 -5.155 4.830 9.233 52 HE22 GLN 8 2HE2 GLN 8 -5.423 6.458 9.740 53 H TYR 9 H TYR 9 -1.764 4.176 3.712 54 HA TYR 9 HA TYR 9 0.381 6.034 2.851 55 HB2 TYR 9 2HB TYR 9 -0.554 3.497 1.479 56 HB3 TYR 9 1HB TYR 9 0.588 4.646 0.792 57 HD1 TYR 9 HD1 TYR 9 0.112 2.011 3.310 58 HD2 TYR 9 HD2 TYR 9 2.873 4.788 1.631 59 HE1 TYR 9 HE1 TYR 9 1.968 0.815 4.391 60 HE2 TYR 9 HE2 TYR 9 4.735 3.596 2.709 61 HH TYR 9 HH TYR 9 5.170 2.086 4.503 62 H ARG 10 H ARG 10 -0.187 7.603 1.371 63 HA ARG 10 HA ARG 10 -3.018 7.702 0.581 64 HB2 ARG 10 2HB ARG 10 -1.786 9.648 1.749 65 HB3 ARG 10 1HB ARG 10 -1.023 9.926 0.194 66 HG2 ARG 10 2HG ARG 10 -3.370 10.079 -0.769 67 HG3 ARG 10 1HG ARG 10 -3.934 10.142 0.900 68 HD2 ARG 10 2HD ARG 10 -2.150 12.100 -0.534 69 HD3 ARG 10 1HD ARG 10 -3.751 12.390 0.140 70 HE ARG 10 HE ARG 10 -1.322 11.930 1.762 71 HH11 ARG 10 1HH1 ARG 10 -4.399 13.440 1.308 72 HH12 ARG 10 2HH1 ARG 10 -4.267 14.373 2.756 73 HH21 ARG 10 1HH2 ARG 10 -1.166 13.177 3.596 74 HH22 ARG 10 2HH2 ARG 10 -2.458 14.247 4.015 75 H ALA 11 H ALA 11 -3.604 7.193 -1.434 76 HA ALA 11 HA ALA 11 -1.706 6.397 -3.407 77 HB1 ALA 11 3HB ALA 11 -3.659 5.913 -4.790 78 HB2 ALA 11 1HB ALA 11 -4.690 6.803 -3.666 79 HB3 ALA 11 2HB ALA 11 -3.897 5.317 -3.149 80 H LEU 12 H LEU 12 -0.627 7.714 -4.780 81 HA LEU 12 HA LEU 12 -1.643 10.386 -5.360 82 HB2 LEU 12 2HB LEU 12 0.922 9.061 -6.253 83 HB3 LEU 12 1HB LEU 12 0.521 10.760 -6.444 84 HG LEU 12 HG LEU 12 0.980 9.309 -3.829 85 HD11 LEU 12 1HD1 LEU 12 2.937 10.741 -3.626 86 HD12 LEU 12 2HD1 LEU 12 2.596 11.459 -5.202 87 HD13 LEU 12 3HD1 LEU 12 3.026 9.752 -5.083 88 HD21 LEU 12 3HD2 LEU 12 0.735 11.497 -2.767 89 HD22 LEU 12 1HD2 LEU 12 -0.753 11.002 -3.572 90 HD23 LEU 12 2HD2 LEU 12 0.295 12.208 -4.320 91 H TYR 13 H TYR 13 -0.752 7.454 -7.171 92 HA TYR 13 HA TYR 13 -2.122 8.557 -9.542 93 HB2 TYR 13 2HB TYR 13 0.152 6.598 -9.268 94 HB3 TYR 13 1HB TYR 13 -0.783 6.712 -10.756 95 HD1 TYR 13 HD2 TYR 13 1.469 8.597 -8.485 96 HD2 TYR 13 HD1 TYR 13 -0.439 8.492 -12.290 97 HE1 TYR 13 HE2 TYR 13 2.859 10.484 -9.231 98 HE2 TYR 13 HE1 TYR 13 0.948 10.372 -13.043 99 HH TYR 13 HH TYR 13 2.229 12.186 -12.160 100 HA PRO 14 HA PRO 14 -5.177 5.360 -9.010 101 HB2 PRO 14 2HB PRO 14 -6.545 5.688 -11.309 102 HB3 PRO 14 1HB PRO 14 -6.596 6.881 -10.009 103 HG2 PRO 14 2HG PRO 14 -5.019 6.918 -12.557 104 HG3 PRO 14 1HG PRO 14 -5.879 8.244 -11.754 105 HD2 PRO 14 2HD PRO 14 -3.156 7.826 -11.576 106 HD3 PRO 14 1HD PRO 14 -4.112 8.702 -10.365 107 H PHE 15 H PHE 15 -5.523 3.243 -9.562 108 HA PHE 15 HA PHE 15 -4.424 2.171 -12.058 109 HB2 PHE 15 2HB PHE 15 -3.724 1.097 -9.311 110 HB3 PHE 15 1HB PHE 15 -3.415 0.236 -10.814 111 HD1 PHE 15 HD2 PHE 15 -1.862 1.298 -12.512 112 HD2 PHE 15 HD1 PHE 15 -2.193 2.692 -8.500 113 HE1 PHE 15 HE2 PHE 15 0.309 2.432 -12.730 114 HE2 PHE 15 HE1 PHE 15 -0.021 3.824 -8.716 115 HZ PHE 15 HZ PHE 15 1.234 3.695 -10.830 116 H ARG 16 H ARG 16 -5.850 0.828 -12.995 117 HA ARG 16 HA ARG 16 -7.599 -0.801 -11.288 118 HB2 ARG 16 2HB ARG 16 -9.471 -0.417 -12.949 119 HB3 ARG 16 1HB ARG 16 -9.068 0.943 -11.913 120 HG2 ARG 16 2HG ARG 16 -7.791 1.956 -13.754 121 HG3 ARG 16 1HG ARG 16 -8.236 0.598 -14.791 122 HD2 ARG 16 2HD ARG 16 -10.581 1.170 -14.603 123 HD3 ARG 16 1HD ARG 16 -10.208 2.457 -13.455 124 HE ARG 16 HE ARG 16 -8.819 2.837 -15.893 125 HH11 ARG 16 1HH1 ARG 16 -11.979 3.083 -14.548 126 HH12 ARG 16 2HH1 ARG 16 -12.426 4.400 -15.573 127 HH21 ARG 16 1HH2 ARG 16 -9.415 4.496 -17.220 128 HH22 ARG 16 2HH2 ARG 16 -10.994 5.186 -17.079 129 H ARG 17 H ARG 17 -7.227 -2.850 -11.707 130 HA ARG 17 HA ARG 17 -6.316 -3.653 -14.402 131 HB2 ARG 17 2HB ARG 17 -5.511 -4.642 -11.665 132 HB3 ARG 17 1HB ARG 17 -5.187 -5.577 -13.117 133 HG2 ARG 17 2HG ARG 17 -4.223 -2.753 -12.688 134 HG3 ARG 17 1HG ARG 17 -3.281 -4.191 -12.294 135 HD2 ARG 17 2HD ARG 17 -3.414 -4.905 -14.647 136 HD3 ARG 17 1HD ARG 17 -4.319 -3.439 -15.032 137 HE ARG 17 HE ARG 17 -2.234 -2.255 -14.177 138 HH11 ARG 17 1HH1 ARG 17 -2.101 -5.380 -15.642 139 HH12 ARG 17 2HH1 ARG 17 -0.524 -5.112 -16.299 140 HH21 ARG 17 1HH2 ARG 17 -0.207 -1.954 -14.997 141 HH22 ARG 17 2HH2 ARG 17 0.536 -3.205 -15.933 142 H GLU 18 H GLU 18 -7.081 -5.555 -15.303 143 HA GLU 18 HA GLU 18 -9.526 -6.693 -14.196 144 HB2 GLU 18 2HB GLU 18 -9.352 -6.200 -16.604 145 HB3 GLU 18 1HB GLU 18 -8.001 -7.311 -16.747 146 HG2 GLU 18 2HG GLU 18 -10.176 -8.190 -17.581 147 HG3 GLU 18 1HG GLU 18 -9.403 -9.197 -16.360 148 H ARG 19 H ARG 19 -6.929 -7.054 -12.849 149 HA ARG 19 HA ARG 19 -6.969 -9.981 -12.613 150 HB2 ARG 19 2HB ARG 19 -4.502 -8.227 -12.764 151 HB3 ARG 19 1HB ARG 19 -4.476 -9.906 -12.243 152 HG2 ARG 19 2HG ARG 19 -5.390 -8.945 -14.952 153 HG3 ARG 19 1HG ARG 19 -3.805 -9.632 -14.592 154 HD2 ARG 19 2HD ARG 19 -4.812 -11.749 -13.981 155 HD3 ARG 19 1HD ARG 19 -6.429 -11.072 -14.165 156 HE ARG 19 HE ARG 19 -5.208 -10.740 -16.607 157 HH11 ARG 19 1HH1 ARG 19 -5.952 -13.419 -14.567 158 HH12 ARG 19 2HH1 ARG 19 -6.187 -14.497 -15.898 159 HH21 ARG 19 1HH2 ARG 19 -5.529 -12.134 -18.300 160 HH22 ARG 19 2HH2 ARG 19 -5.956 -13.781 -17.990 161 HA PRO 20 HA PRO 20 -7.842 -8.810 -8.448 162 HB2 PRO 20 2HB PRO 20 -7.686 -11.241 -7.250 163 HB3 PRO 20 1HB PRO 20 -9.009 -10.787 -8.330 164 HG2 PRO 20 2HG PRO 20 -6.554 -12.406 -8.923 165 HG3 PRO 20 1HG PRO 20 -8.236 -12.712 -9.397 166 HD2 PRO 20 2HD PRO 20 -6.419 -11.611 -11.085 167 HD3 PRO 20 1HD PRO 20 -8.148 -11.211 -11.151 168 H GLU 21 H GLU 21 -4.725 -9.816 -9.365 169 HA GLU 21 HA GLU 21 -3.571 -9.963 -6.721 170 HB2 GLU 21 2HB GLU 21 -2.193 -9.532 -9.389 171 HB3 GLU 21 1HB GLU 21 -1.389 -9.899 -7.870 172 HG2 GLU 21 2HG GLU 21 -1.469 -11.911 -9.103 173 HG3 GLU 21 1HG GLU 21 -2.670 -12.059 -7.820 174 H ASP 22 H ASP 22 -3.909 -7.490 -9.204 175 HA ASP 22 HA ASP 22 -2.418 -5.492 -7.743 176 HB2 ASP 22 2HB ASP 22 -2.819 -5.786 -10.340 177 HB3 ASP 22 1HB ASP 22 -4.275 -4.853 -10.019 178 H LEU 23 H LEU 23 -3.901 -3.185 -7.808 179 HA LEU 23 HA LEU 23 -6.307 -3.817 -6.218 180 HB2 LEU 23 2HB LEU 23 -4.392 -3.446 -4.711 181 HB3 LEU 23 1HB LEU 23 -4.146 -1.863 -5.423 182 HG LEU 23 HG LEU 23 -6.294 -1.096 -4.544 183 HD11 LEU 23 1HD1 LEU 23 -7.598 -2.515 -3.024 184 HD12 LEU 23 2HD1 LEU 23 -6.537 -3.876 -3.391 185 HD13 LEU 23 3HD1 LEU 23 -7.542 -3.172 -4.659 186 HD21 LEU 23 3HD2 LEU 23 -4.624 -2.451 -2.422 187 HD22 LEU 23 1HD2 LEU 23 -5.745 -1.113 -2.169 188 HD23 LEU 23 2HD2 LEU 23 -4.292 -0.874 -3.140 189 H GLU 24 H GLU 24 -8.048 -2.525 -6.561 190 HA GLU 24 HA GLU 24 -8.024 -0.555 -8.633 191 HB2 GLU 24 2HB GLU 24 -10.182 -1.138 -6.584 192 HB3 GLU 24 1HB GLU 24 -10.386 -0.195 -8.054 193 HG2 GLU 24 2HG GLU 24 -9.749 -2.260 -9.346 194 HG3 GLU 24 1HG GLU 24 -9.839 -3.148 -7.825 195 H LEU 25 H LEU 25 -7.463 1.535 -8.471 196 HA LEU 25 HA LEU 25 -7.371 2.820 -5.815 197 HB2 LEU 25 2HB LEU 25 -5.093 2.664 -7.795 198 HB3 LEU 25 1HB LEU 25 -5.072 3.576 -6.294 199 HG LEU 25 HG LEU 25 -5.566 0.613 -6.262 200 HD11 LEU 25 1HD1 LEU 25 -2.882 1.975 -6.375 201 HD12 LEU 25 2HD1 LEU 25 -3.546 0.812 -7.524 202 HD13 LEU 25 3HD1 LEU 25 -3.140 0.299 -5.887 203 HD21 LEU 25 3HD2 LEU 25 -4.385 2.540 -4.255 204 HD22 LEU 25 1HD2 LEU 25 -4.608 0.806 -4.013 205 HD23 LEU 25 2HD2 LEU 25 -6.009 1.854 -4.216 206 H LEU 26 H LEU 26 -7.879 4.926 -5.781 207 HA LEU 26 HA LEU 26 -8.024 6.444 -8.314 208 HB2 LEU 26 2HB LEU 26 -9.697 6.597 -5.808 209 HB3 LEU 26 1HB LEU 26 -9.635 7.927 -6.944 210 HG LEU 26 HG LEU 26 -11.638 6.586 -7.269 211 HD11 LEU 26 1HD1 LEU 26 -10.632 7.684 -9.213 212 HD12 LEU 26 2HD1 LEU 26 -11.448 6.188 -9.662 213 HD13 LEU 26 3HD1 LEU 26 -9.687 6.231 -9.552 214 HD21 LEU 26 3HD2 LEU 26 -11.559 4.284 -8.016 215 HD22 LEU 26 1HD2 LEU 26 -10.752 4.437 -6.455 216 HD23 LEU 26 2HD2 LEU 26 -9.797 4.284 -7.931 217 HA PRO 27 HA PRO 27 -5.057 9.374 -6.684 218 HB2 PRO 27 2HB PRO 27 -6.719 11.615 -7.677 219 HB3 PRO 27 1HB PRO 27 -5.081 11.137 -8.136 220 HG2 PRO 27 2HG PRO 27 -7.161 10.760 -9.790 221 HG3 PRO 27 1HG PRO 27 -5.820 9.601 -9.700 222 HD2 PRO 27 2HD PRO 27 -8.553 9.431 -8.464 223 HD3 PRO 27 1HD PRO 27 -7.610 8.170 -9.282 224 H GLY 28 H GLY 28 -5.099 9.464 -4.485 225 HA2 GLY 28 2HA GLY 28 -5.352 11.031 -2.656 226 HA3 GLY 28 1HA GLY 28 -6.955 11.413 -3.256 227 H ASP 29 H ASP 29 -6.212 8.064 -3.257 228 HA ASP 29 HA ASP 29 -8.197 7.554 -1.231 229 HB2 ASP 29 2HB ASP 29 -6.420 5.690 -2.824 230 HB3 ASP 29 1HB ASP 29 -7.676 5.148 -1.714 231 H VAL 30 H VAL 30 -7.923 6.453 0.730 232 HA VAL 30 HA VAL 30 -5.212 6.539 1.880 233 HB VAL 30 HB VAL 30 -7.873 6.220 3.300 234 HG11 VAL 30 1HG1 VAL 30 -6.053 5.171 4.538 235 HG12 VAL 30 2HG1 VAL 30 -6.597 6.633 5.359 236 HG13 VAL 30 3HG1 VAL 30 -5.101 6.655 4.426 237 HG21 VAL 30 3HG2 VAL 30 -7.542 8.530 4.062 238 HG22 VAL 30 1HG2 VAL 30 -7.647 8.443 2.303 239 HG23 VAL 30 2HG2 VAL 30 -6.079 8.646 3.084 240 H LEU 31 H LEU 31 -4.115 4.690 1.998 241 HA LEU 31 HA LEU 31 -5.569 2.136 1.878 242 HB2 LEU 31 2HB LEU 31 -2.684 2.800 1.274 243 HB3 LEU 31 1HB LEU 31 -3.322 1.168 1.301 244 HG LEU 31 HG LEU 31 -4.935 1.889 -0.531 245 HD11 LEU 31 1HD1 LEU 31 -3.059 4.246 -0.711 246 HD12 LEU 31 2HD1 LEU 31 -4.756 4.306 -0.232 247 HD13 LEU 31 3HD1 LEU 31 -4.320 3.827 -1.871 248 HD21 LEU 31 3HD2 LEU 31 -2.980 0.504 -0.972 249 HD22 LEU 31 1HD2 LEU 31 -1.975 1.946 -1.126 250 HD23 LEU 31 2HD2 LEU 31 -3.259 1.635 -2.296 251 H VAL 32 H VAL 32 -5.738 0.936 3.641 252 HA VAL 32 HA VAL 32 -4.060 1.478 5.978 253 HB VAL 32 HB VAL 32 -6.488 -0.317 5.696 254 HG11 VAL 32 1HG1 VAL 32 -5.016 -1.085 7.487 255 HG12 VAL 32 2HG1 VAL 32 -6.485 -0.376 8.158 256 HG13 VAL 32 3HG1 VAL 32 -4.978 0.540 8.171 257 HG21 VAL 32 3HG2 VAL 32 -7.087 2.015 5.406 258 HG22 VAL 32 1HG2 VAL 32 -6.206 2.457 6.868 259 HG23 VAL 32 2HG2 VAL 32 -7.651 1.452 6.979 260 H VAL 33 H VAL 33 -2.244 0.334 6.244 261 HA VAL 33 HA VAL 33 -2.136 -2.464 5.273 262 HB VAL 33 HB VAL 33 0.171 -0.510 5.532 263 HG11 VAL 33 1HG1 VAL 33 0.827 -2.849 5.949 264 HG12 VAL 33 2HG1 VAL 33 1.524 -2.225 4.454 265 HG13 VAL 33 3HG1 VAL 33 0.136 -3.314 4.394 266 HG21 VAL 33 3HG2 VAL 33 -1.285 0.076 3.669 267 HG22 VAL 33 1HG2 VAL 33 -1.207 -1.578 3.061 268 HG23 VAL 33 2HG2 VAL 33 0.243 -0.574 3.074 269 H SER 34 H SER 34 -1.533 -4.034 6.702 270 HA SER 34 HA SER 34 -1.194 -3.282 9.500 271 HB2 SER 34 2HB SER 34 -1.455 -5.637 10.007 272 HB3 SER 34 1HB SER 34 -2.690 -5.186 8.834 273 HG SER 34 HG SER 34 -1.912 -6.685 7.597 274 H ARG 35 H ARG 35 0.703 -3.389 10.651 275 HA ARG 35 HA ARG 35 3.149 -3.507 9.216 276 HB2 ARG 35 2HB ARG 35 2.784 -2.210 11.344 277 HB3 ARG 35 1HB ARG 35 2.851 -3.736 12.218 278 HG2 ARG 35 2HG ARG 35 5.130 -4.108 11.426 279 HG3 ARG 35 1HG ARG 35 5.065 -2.609 10.503 280 HD2 ARG 35 2HD ARG 35 4.646 -1.427 12.713 281 HD3 ARG 35 1HD ARG 35 5.070 -2.951 13.499 282 HE ARG 35 HE ARG 35 7.003 -1.946 11.588 283 HH11 ARG 35 1HH1 ARG 35 6.075 -2.080 14.915 284 HH12 ARG 35 2HH1 ARG 35 7.664 -1.680 15.470 285 HH21 ARG 35 1HH2 ARG 35 8.985 -1.401 12.306 286 HH22 ARG 35 2HH2 ARG 35 9.289 -1.258 14.006 287 H ALA 36 H ALA 36 1.288 -5.921 10.880 288 HA ALA 36 HA ALA 36 3.215 -7.918 11.254 289 HB1 ALA 36 3HB ALA 36 1.350 -9.493 11.263 290 HB2 ALA 36 1HB ALA 36 0.299 -8.270 10.549 291 HB3 ALA 36 2HB ALA 36 0.945 -8.037 12.173 292 H ALA 37 H ALA 37 1.259 -7.118 8.395 293 HA ALA 37 HA ALA 37 2.149 -9.206 6.724 294 HB1 ALA 37 3HB ALA 37 1.358 -7.820 4.870 295 HB2 ALA 37 1HB ALA 37 1.258 -6.423 5.947 296 HB3 ALA 37 2HB ALA 37 0.202 -7.814 6.203 297 H LEU 38 H LEU 38 3.360 -5.881 7.142 298 HA LEU 38 HA LEU 38 5.454 -5.967 5.288 299 HB2 LEU 38 2HB LEU 38 5.360 -4.448 7.902 300 HB3 LEU 38 1HB LEU 38 6.419 -4.098 6.546 301 HG LEU 38 HG LEU 38 3.406 -3.834 6.588 302 HD11 LEU 38 1HD1 LEU 38 5.582 -1.754 6.402 303 HD12 LEU 38 2HD1 LEU 38 4.534 -2.053 7.789 304 HD13 LEU 38 3HD1 LEU 38 3.850 -1.446 6.282 305 HD21 LEU 38 3HD2 LEU 38 5.343 -3.321 4.326 306 HD22 LEU 38 1HD2 LEU 38 3.626 -2.910 4.321 307 HD23 LEU 38 2HD2 LEU 38 4.128 -4.598 4.395 308 H GLN 39 H GLN 39 5.454 -6.806 8.752 309 HA GLN 39 HA GLN 39 8.165 -7.544 8.937 310 HB2 GLN 39 2HB GLN 39 5.755 -8.466 10.520 311 HB3 GLN 39 1HB GLN 39 7.410 -8.905 10.928 312 HG2 GLN 39 2HG GLN 39 7.964 -6.528 11.184 313 HG3 GLN 39 1HG GLN 39 6.292 -6.108 10.819 314 HE21 GLN 39 1HE2 GLN 39 7.920 -5.636 13.216 315 HE22 GLN 39 2HE2 GLN 39 7.036 -6.327 14.527 316 H ALA 40 H ALA 40 5.295 -9.414 8.011 317 HA ALA 40 HA ALA 40 6.581 -11.917 7.688 318 HB1 ALA 40 3HB ALA 40 4.624 -12.549 6.370 319 HB2 ALA 40 1HB ALA 40 4.132 -10.858 6.263 320 HB3 ALA 40 2HB ALA 40 4.142 -11.678 7.824 321 H LEU 41 H LEU 41 6.380 -9.083 5.646 322 HA LEU 41 HA LEU 41 7.478 -10.376 3.302 323 HB2 LEU 41 2HB LEU 41 7.124 -7.445 3.960 324 HB3 LEU 41 1HB LEU 41 7.610 -8.069 2.396 325 HG LEU 41 HG LEU 41 4.942 -8.596 3.724 326 HD11 LEU 41 1HD1 LEU 41 5.636 -6.782 1.413 327 HD12 LEU 41 2HD1 LEU 41 5.180 -6.265 3.036 328 HD13 LEU 41 3HD1 LEU 41 4.015 -7.117 2.025 329 HD21 LEU 41 3HD2 LEU 41 5.624 -10.432 2.284 330 HD22 LEU 41 1HD2 LEU 41 5.953 -9.303 0.969 331 HD23 LEU 41 2HD2 LEU 41 4.302 -9.527 1.548 332 H GLY 42 H GLY 42 8.836 -9.486 6.201 333 HA2 GLY 42 2HA GLY 42 11.070 -9.569 6.835 334 HA3 GLY 42 1HA GLY 42 11.525 -9.661 5.144 335 H VAL 43 H VAL 43 9.411 -7.072 5.870 336 HA VAL 43 HA VAL 43 11.405 -5.135 5.155 337 HB VAL 43 HB VAL 43 8.595 -4.660 6.191 338 HG11 VAL 43 1HG1 VAL 43 10.002 -2.671 6.373 339 HG12 VAL 43 2HG1 VAL 43 8.795 -2.464 5.105 340 HG13 VAL 43 3HG1 VAL 43 10.468 -2.826 4.678 341 HG21 VAL 43 3HG2 VAL 43 8.534 -6.035 4.195 342 HG22 VAL 43 1HG2 VAL 43 9.608 -4.915 3.353 343 HG23 VAL 43 2HG2 VAL 43 7.983 -4.405 3.813 344 H ALA 44 H ALA 44 12.945 -4.568 6.571 345 HA ALA 44 HA ALA 44 12.617 -4.658 9.409 346 HB1 ALA 44 3HB ALA 44 14.782 -5.050 8.317 347 HB2 ALA 44 1HB ALA 44 14.874 -3.761 9.515 348 HB3 ALA 44 2HB ALA 44 14.821 -3.366 7.797 349 H GLU 45 H GLU 45 12.546 -2.968 10.899 350 HA GLU 45 HA GLU 45 10.919 -0.790 10.390 351 HB2 GLU 45 2HB GLU 45 11.418 -1.721 12.625 352 HB3 GLU 45 1HB GLU 45 13.033 -1.033 12.542 353 HG2 GLU 45 2HG GLU 45 12.132 1.205 12.557 354 HG3 GLU 45 1HG GLU 45 10.485 0.578 12.474 355 H GLY 46 H GLY 46 11.222 1.056 9.294 356 HA2 GLY 46 2HA GLY 46 12.591 3.062 8.911 357 HA3 GLY 46 1HA GLY 46 13.999 2.011 8.859 358 H GLY 47 H GLY 47 12.042 0.102 7.320 359 HA2 GLY 47 2HA GLY 47 12.713 1.173 4.665 360 HA3 GLY 47 1HA GLY 47 12.263 -0.484 5.031 361 H GLU 48 H GLU 48 9.924 0.482 6.652 362 HA GLU 48 HA GLU 48 7.955 0.307 4.634 363 HB2 GLU 48 2HB GLU 48 6.321 0.634 6.388 364 HB3 GLU 48 1HB GLU 48 7.600 -0.413 6.982 365 HG2 GLU 48 2HG GLU 48 7.311 2.529 7.598 366 HG3 GLU 48 1HG GLU 48 6.861 1.203 8.667 367 H ARG 49 H ARG 49 9.496 3.058 6.134 368 HA ARG 49 HA ARG 49 7.706 5.072 5.241 369 HB2 ARG 49 2HB ARG 49 9.566 6.630 5.645 370 HB3 ARG 49 1HB ARG 49 9.370 5.496 6.978 371 HG2 ARG 49 2HG ARG 49 11.245 4.173 6.155 372 HG3 ARG 49 1HG ARG 49 11.425 5.263 4.779 373 HD2 ARG 49 2HD ARG 49 11.951 7.104 6.292 374 HD3 ARG 49 1HD ARG 49 11.724 6.040 7.682 375 HE ARG 49 HE ARG 49 13.620 4.793 6.161 376 HH11 ARG 49 1HH1 ARG 49 13.354 7.939 7.557 377 HH12 ARG 49 2HH1 ARG 49 15.057 8.067 7.832 378 HH21 ARG 49 1HH2 ARG 49 15.789 4.995 6.494 379 HH22 ARG 49 2HH2 ARG 49 16.415 6.431 7.236 380 H CYS 50 H CYS 50 9.888 3.104 3.516 381 HA CYS 50 HA CYS 50 9.554 4.762 1.099 382 HB2 CYS 50 2HB CYS 50 12.099 3.298 1.863 383 HB3 CYS 50 1HB CYS 50 11.834 4.194 0.370 384 HG CYS 50 HG CYS 50 13.240 5.294 2.990 385 HA PRO 51 HA PRO 51 7.997 0.323 0.856 386 HB2 PRO 51 2HB PRO 51 5.797 0.937 -0.687 387 HB3 PRO 51 1HB PRO 51 5.810 0.946 1.078 388 HG2 PRO 51 2HG PRO 51 6.120 3.239 -0.828 389 HG3 PRO 51 1HG PRO 51 5.164 3.143 0.664 390 HD2 PRO 51 2HD PRO 51 7.538 4.382 0.612 391 HD3 PRO 51 1HD PRO 51 7.029 3.432 2.025 392 H GLN 52 H GLN 52 8.670 2.679 -1.654 393 HA GLN 52 HA GLN 52 8.475 1.130 -3.953 394 HB2 GLN 52 2HB GLN 52 10.156 2.648 -4.934 395 HB3 GLN 52 1HB GLN 52 8.923 3.520 -4.031 396 HG2 GLN 52 2HG GLN 52 10.432 3.809 -2.166 397 HG3 GLN 52 1HG GLN 52 11.658 2.828 -2.969 398 HE21 GLN 52 1HE2 GLN 52 13.162 4.488 -2.926 399 HE22 GLN 52 2HE2 GLN 52 13.041 5.877 -3.938 400 H SER 53 H SER 53 10.816 0.929 -1.395 401 HA SER 53 HA SER 53 12.827 -0.493 -2.899 402 HB2 SER 53 2HB SER 53 13.465 0.859 -0.963 403 HB3 SER 53 1HB SER 53 12.471 -0.141 0.094 404 HG SER 53 HG SER 53 14.350 -1.513 -1.418 405 H VAL 54 H VAL 54 9.893 -1.401 -1.391 406 HA VAL 54 HA VAL 54 10.720 -4.193 -0.986 407 HB VAL 54 HB VAL 54 8.033 -2.927 -0.396 408 HG11 VAL 54 1HG1 VAL 54 9.278 -5.499 0.596 409 HG12 VAL 54 2HG1 VAL 54 7.962 -5.364 -0.572 410 HG13 VAL 54 3HG1 VAL 54 7.715 -4.850 1.097 411 HG21 VAL 54 3HG2 VAL 54 9.793 -1.781 0.862 412 HG22 VAL 54 1HG2 VAL 54 10.368 -3.329 1.481 413 HG23 VAL 54 2HG2 VAL 54 8.767 -2.739 1.930 414 H GLY 55 H GLY 55 9.070 -2.227 -3.280 415 HA2 GLY 55 2HA GLY 55 8.478 -2.993 -5.460 416 HA3 GLY 55 1HA GLY 55 8.254 -4.610 -4.809 417 H TRP 56 H TRP 56 6.186 -5.248 -4.498 418 HA TRP 56 HA TRP 56 4.163 -3.165 -3.990 419 HB2 TRP 56 2HB TRP 56 2.483 -4.497 -5.161 420 HB3 TRP 56 1HB TRP 56 3.818 -4.089 -6.223 421 HD1 TRP 56 HD1 TRP 56 5.415 -6.805 -4.665 422 HE1 TRP 56 HE1 TRP 56 4.927 -9.058 -5.797 423 HE3 TRP 56 HE3 TRP 56 1.260 -5.497 -7.342 424 HZ2 TRP 56 HZ2 TRP 56 3.040 -10.146 -7.588 425 HZ3 TRP 56 HZ3 TRP 56 0.172 -7.204 -8.740 426 HH2 TRP 56 HH2 TRP 56 1.047 -9.484 -8.860 427 H MET 57 H MET 57 2.535 -3.599 -2.462 428 HA MET 57 HA MET 57 3.010 -5.940 -0.725 429 HB2 MET 57 2HB MET 57 2.742 -3.096 0.284 430 HB3 MET 57 1HB MET 57 2.982 -4.535 1.268 431 HG2 MET 57 2HG MET 57 5.180 -4.860 0.185 432 HG3 MET 57 1HG MET 57 4.937 -3.357 -0.701 433 HE1 MET 57 3HE MET 57 3.397 -1.676 1.633 434 HE2 MET 57 1HE MET 57 4.615 -0.961 0.575 435 HE3 MET 57 2HE MET 57 4.756 -0.786 2.325 436 HA PRO 58 HA PRO 58 -1.435 -6.196 -0.556 437 HB2 PRO 58 2HB PRO 58 -1.789 -7.470 1.829 438 HB3 PRO 58 1HB PRO 58 -1.171 -8.282 0.385 439 HG2 PRO 58 2HG PRO 58 0.348 -7.158 2.718 440 HG3 PRO 58 1HG PRO 58 0.559 -8.716 1.894 441 HD2 PRO 58 2HD PRO 58 2.158 -6.598 1.395 442 HD3 PRO 58 1HD PRO 58 1.723 -7.767 0.130 443 H GLY 59 H GLY 59 -2.807 -4.548 -0.184 444 HA2 GLY 59 2HA GLY 59 -2.989 -3.407 2.515 445 HA3 GLY 59 1HA GLY 59 -2.628 -2.306 1.197 446 H LEU 60 H LEU 60 -4.836 -1.954 2.808 447 HA LEU 60 HA LEU 60 -7.142 -2.822 1.181 448 HB2 LEU 60 2HB LEU 60 -7.322 -3.477 3.487 449 HB3 LEU 60 1HB LEU 60 -6.930 -1.859 4.035 450 HG LEU 60 HG LEU 60 -9.077 -1.033 3.127 451 HD11 LEU 60 1HD1 LEU 60 -9.604 -3.934 2.494 452 HD12 LEU 60 2HD1 LEU 60 -9.388 -2.630 1.325 453 HD13 LEU 60 3HD1 LEU 60 -10.785 -2.626 2.400 454 HD21 LEU 60 3HD2 LEU 60 -8.921 -1.739 5.461 455 HD22 LEU 60 1HD2 LEU 60 -9.360 -3.385 5.001 456 HD23 LEU 60 2HD2 LEU 60 -10.520 -2.069 4.799 457 H ASN 61 H ASN 61 -8.082 -1.362 -0.112 458 HA ASN 61 HA ASN 61 -7.513 1.484 0.157 459 HB2 ASN 61 2HB ASN 61 -7.504 0.379 -2.065 460 HB3 ASN 61 1HB ASN 61 -9.211 -0.003 -1.874 461 HD21 ASN 61 1HD2 ASN 61 -7.908 1.574 -3.930 462 HD22 ASN 61 2HD2 ASN 61 -8.635 3.139 -3.869 463 H GLU 62 H GLU 62 -8.817 2.877 1.246 464 HA GLU 62 HA GLU 62 -11.159 1.910 2.564 465 HB2 GLU 62 2HB GLU 62 -9.872 4.633 2.446 466 HB3 GLU 62 1HB GLU 62 -11.341 4.323 3.366 467 HG2 GLU 62 2HG GLU 62 -8.709 2.902 3.773 468 HG3 GLU 62 1HG GLU 62 -9.302 4.245 4.748 469 H ARG 63 H ARG 63 -10.786 3.443 -0.512 470 HA ARG 63 HA ARG 63 -13.575 4.280 -0.616 471 HB2 ARG 63 2HB ARG 63 -11.499 4.163 -2.817 472 HB3 ARG 63 1HB ARG 63 -13.130 4.788 -3.011 473 HG2 ARG 63 2HG ARG 63 -12.541 6.460 -1.180 474 HG3 ARG 63 1HG ARG 63 -10.866 5.949 -1.408 475 HD2 ARG 63 2HD ARG 63 -11.200 7.887 -2.765 476 HD3 ARG 63 1HD ARG 63 -11.126 6.500 -3.845 477 HE ARG 63 HE ARG 63 -13.784 6.812 -3.386 478 HH11 ARG 63 1HH1 ARG 63 -11.302 8.933 -4.474 479 HH12 ARG 63 2HH1 ARG 63 -12.379 9.880 -5.438 480 HH21 ARG 63 1HH2 ARG 63 -15.165 8.033 -4.634 481 HH22 ARG 63 2HH2 ARG 63 -14.543 9.379 -5.526 482 H THR 64 H THR 64 -11.681 2.078 -2.699 483 HA THR 64 HA THR 64 -14.014 0.765 -3.708 484 HB THR 64 HB THR 64 -12.466 -0.740 -4.867 485 HG1 THR 64 HG1 THR 64 -10.090 0.063 -4.388 486 HG21 THR 64 3HG2 THR 64 -11.511 2.135 -4.883 487 HG22 THR 64 1HG2 THR 64 -12.834 1.475 -5.844 488 HG23 THR 64 2HG2 THR 64 -11.180 0.939 -6.136 489 H ARG 65 H ARG 65 -11.970 0.225 -0.983 490 HA ARG 65 HA ARG 65 -11.974 -1.251 0.728 491 HB2 ARG 65 2HB ARG 65 -14.597 -2.265 -0.373 492 HB3 ARG 65 1HB ARG 65 -13.970 -2.539 1.245 493 HG2 ARG 65 2HG ARG 65 -15.028 0.001 0.047 494 HG3 ARG 65 1HG ARG 65 -15.575 -0.854 1.488 495 HD2 ARG 65 2HD ARG 65 -13.017 0.711 1.144 496 HD3 ARG 65 1HD ARG 65 -14.393 1.136 2.157 497 HE ARG 65 HE ARG 65 -12.388 -0.922 2.706 498 HH11 ARG 65 1HH1 ARG 65 -15.247 0.726 3.680 499 HH12 ARG 65 2HH1 ARG 65 -15.038 0.331 5.348 500 HH21 ARG 65 1HH2 ARG 65 -12.120 -1.408 4.864 501 HH22 ARG 65 2HH2 ARG 65 -13.280 -0.852 6.013 502 H GLN 66 H GLN 66 -11.338 -2.078 -2.271 503 HA GLN 66 HA GLN 66 -11.283 -4.954 -2.086 504 HB2 GLN 66 2HB GLN 66 -10.016 -3.007 -4.031 505 HB3 GLN 66 1HB GLN 66 -9.881 -4.753 -4.180 506 HG2 GLN 66 2HG GLN 66 -12.496 -3.252 -4.160 507 HG3 GLN 66 1HG GLN 66 -11.631 -3.730 -5.620 508 HE21 GLN 66 1HE2 GLN 66 -11.526 -5.908 -6.167 509 HE22 GLN 66 2HE2 GLN 66 -12.585 -7.081 -5.471 510 H ARG 67 H ARG 67 -9.444 -6.275 -1.824 511 HA ARG 67 HA ARG 67 -7.100 -4.948 -0.609 512 HB2 ARG 67 2HB ARG 67 -8.135 -7.761 -0.155 513 HB3 ARG 67 1HB ARG 67 -6.659 -7.112 0.537 514 HG2 ARG 67 2HG ARG 67 -8.259 -7.012 2.250 515 HG3 ARG 67 1HG ARG 67 -8.107 -5.357 1.660 516 HD2 ARG 67 2HD ARG 67 -10.452 -5.982 2.047 517 HD3 ARG 67 1HD ARG 67 -10.146 -5.613 0.349 518 HE ARG 67 HE ARG 67 -9.912 -8.405 0.950 519 HH11 ARG 67 1HH1 ARG 67 -12.140 -5.894 0.174 520 HH12 ARG 67 2HH1 ARG 67 -13.311 -6.989 -0.467 521 HH21 ARG 67 1HH2 ARG 67 -11.415 -9.794 0.122 522 HH22 ARG 67 2HH2 ARG 67 -12.911 -9.176 -0.495 523 H GLY 68 H GLY 68 -5.117 -5.293 -1.487 524 HA2 GLY 68 2HA GLY 68 -4.429 -7.563 -3.056 525 HA3 GLY 68 1HA GLY 68 -4.812 -6.204 -4.102 526 H ASP 69 H ASP 69 -2.355 -7.057 -4.430 527 HA ASP 69 HA ASP 69 -0.530 -5.708 -2.599 528 HB2 ASP 69 2HB ASP 69 0.051 -7.311 -5.106 529 HB3 ASP 69 1HB ASP 69 1.244 -6.746 -3.941 530 H PHE 70 H PHE 70 -0.338 -3.560 -2.862 531 HA PHE 70 HA PHE 70 -0.573 -2.400 -5.544 532 HB2 PHE 70 2HB PHE 70 -0.894 -0.260 -4.432 533 HB3 PHE 70 1HB PHE 70 -1.983 -1.455 -3.742 534 HD1 PHE 70 HD1 PHE 70 -1.618 -2.305 -1.461 535 HD2 PHE 70 HD2 PHE 70 0.870 0.738 -3.114 536 HE1 PHE 70 HE1 PHE 70 -0.793 -1.752 0.788 537 HE2 PHE 70 HE2 PHE 70 1.697 1.286 -0.863 538 HZ PHE 70 HZ PHE 70 0.865 0.042 1.091 539 HA PRO 71 HA PRO 71 3.836 -1.674 -5.898 540 HB2 PRO 71 2HB PRO 71 3.059 0.707 -7.493 541 HB3 PRO 71 1HB PRO 71 4.056 -0.678 -7.953 542 HG2 PRO 71 2HG PRO 71 1.571 -0.372 -8.905 543 HG3 PRO 71 1HG PRO 71 2.224 -1.976 -8.520 544 HD2 PRO 71 2HD PRO 71 0.308 -0.282 -6.957 545 HD3 PRO 71 1HD PRO 71 0.307 -2.040 -7.216 546 H GLY 72 H GLY 72 4.936 -0.807 -4.195 547 HA2 GLY 72 2HA GLY 72 3.938 1.406 -2.690 548 HA3 GLY 72 1HA GLY 72 5.470 0.594 -2.444 549 H THR 73 H THR 73 4.729 2.041 -5.552 550 HA THR 73 HA THR 73 6.824 4.052 -5.064 551 HB THR 73 HB THR 73 7.313 2.615 -6.939 552 HG1 THR 73 HG1 THR 73 8.098 4.445 -7.663 553 HG21 THR 73 3HG2 THR 73 4.668 3.510 -8.106 554 HG22 THR 73 1HG2 THR 73 5.055 1.892 -7.519 555 HG23 THR 73 2HG2 THR 73 5.882 2.537 -8.937 556 H TYR 74 H TYR 74 3.450 3.740 -6.000 557 HA TYR 74 HA TYR 74 3.257 6.537 -6.821 558 HB2 TYR 74 2HB TYR 74 1.062 6.028 -7.587 559 HB3 TYR 74 1HB TYR 74 2.027 4.607 -7.977 560 HD1 TYR 74 HD2 TYR 74 1.873 2.588 -6.494 561 HD2 TYR 74 HD1 TYR 74 -0.825 5.854 -6.136 562 HE1 TYR 74 HE2 TYR 74 0.347 1.174 -5.196 563 HE2 TYR 74 HE1 TYR 74 -2.357 4.448 -4.829 564 HH TYR 74 HH TYR 74 -1.428 1.465 -3.527 565 H VAL 75 H VAL 75 3.455 5.259 -3.865 566 HA VAL 75 HA VAL 75 1.191 6.786 -2.731 567 HB VAL 75 HB VAL 75 1.405 5.309 -0.718 568 HG11 VAL 75 1HG1 VAL 75 0.813 3.909 -3.330 569 HG12 VAL 75 2HG1 VAL 75 -0.314 4.888 -2.392 570 HG13 VAL 75 3HG1 VAL 75 0.294 3.369 -1.733 571 HG21 VAL 75 3HG2 VAL 75 3.706 4.570 -1.005 572 HG22 VAL 75 1HG2 VAL 75 3.276 3.745 -2.505 573 HG23 VAL 75 2HG2 VAL 75 2.626 3.175 -0.968 574 H GLU 76 H GLU 76 1.486 8.156 -1.029 575 HA GLU 76 HA GLU 76 4.247 8.717 -0.171 576 HB2 GLU 76 2HB GLU 76 3.316 10.825 0.755 577 HB3 GLU 76 1HB GLU 76 3.052 10.676 -0.977 578 HG2 GLU 76 2HG GLU 76 0.755 10.068 -0.639 579 HG3 GLU 76 1HG GLU 76 0.987 9.995 1.106 580 H PHE 77 H PHE 77 4.870 8.488 1.957 581 HA PHE 77 HA PHE 77 3.281 6.759 3.612 582 HB2 PHE 77 2HB PHE 77 5.742 6.579 3.494 583 HB3 PHE 77 1HB PHE 77 5.893 8.174 4.225 584 HD1 PHE 77 HD2 PHE 77 4.446 4.798 4.867 585 HD2 PHE 77 HD1 PHE 77 6.101 8.353 6.536 586 HE1 PHE 77 HE2 PHE 77 4.426 3.759 7.092 587 HE2 PHE 77 HE1 PHE 77 6.087 7.311 8.767 588 HZ PHE 77 HZ PHE 77 5.250 5.014 9.046 589 H LEU 78 H LEU 78 1.644 7.447 4.850 590 HA LEU 78 HA LEU 78 1.487 10.203 5.754 591 HB2 LEU 78 2HB LEU 78 -0.382 7.882 6.270 592 HB3 LEU 78 1HB LEU 78 -0.715 9.567 6.628 593 HG LEU 78 HG LEU 78 -0.354 8.385 3.864 594 HD11 LEU 78 1HD1 LEU 78 -2.823 9.438 5.247 595 HD12 LEU 78 2HD1 LEU 78 -2.472 7.744 4.899 596 HD13 LEU 78 3HD1 LEU 78 -2.727 8.880 3.575 597 HD21 LEU 78 3HD2 LEU 78 0.482 10.669 3.958 598 HD22 LEU 78 1HD2 LEU 78 -1.021 11.205 4.710 599 HD23 LEU 78 2HD2 LEU 78 -1.030 10.599 3.056 600 H GLY 79 H GLY 79 1.404 7.018 7.352 601 HA2 GLY 79 2HA GLY 79 3.142 7.218 9.366 602 HA3 GLY 79 1HA GLY 79 1.847 8.253 9.958 603 HA PRO 80 HA PRO 80 0.627 3.989 11.250 604 HB2 PRO 80 2HB PRO 80 0.257 4.448 13.858 605 HB3 PRO 80 1HB PRO 80 1.881 4.246 13.187 606 HG2 PRO 80 2HG PRO 80 0.438 6.767 13.923 607 HG3 PRO 80 1HG PRO 80 2.131 6.323 14.211 608 HD2 PRO 80 2HD PRO 80 1.261 7.925 12.127 609 HD3 PRO 80 1HD PRO 80 2.785 7.016 12.130 610 H LEU 81 H LEU 81 -1.407 3.350 12.605 611 HA LEU 81 HA LEU 81 -3.685 4.696 11.479 612 HB2 LEU 81 2HB LEU 81 -3.494 2.428 13.468 613 HB3 LEU 81 1HB LEU 81 -4.987 2.976 12.727 614 HG LEU 81 HG LEU 81 -2.635 1.843 11.189 615 HD11 LEU 81 1HD1 LEU 81 -5.237 0.532 11.996 616 HD12 LEU 81 2HD1 LEU 81 -3.633 0.130 12.612 617 HD13 LEU 81 3HD1 LEU 81 -4.025 -0.164 10.918 618 HD21 LEU 81 3HD2 LEU 81 -4.036 3.402 9.902 619 HD22 LEU 81 1HD2 LEU 81 -5.467 2.463 10.324 620 HD23 LEU 81 2HD2 LEU 81 -4.205 1.746 9.321 621 H GLU 82 H GLU 82 -5.287 5.897 12.519 622 HA GLU 82 HA GLU 82 -4.608 6.832 15.226 623 HB2 GLU 82 2HB GLU 82 -5.876 8.844 14.791 624 HB3 GLU 82 1HB GLU 82 -4.699 8.600 13.513 625 HG2 GLU 82 2HG GLU 82 -7.625 7.907 13.279 626 HG3 GLU 82 1HG GLU 82 -6.922 9.435 12.762 Start of MODEL 17 1 H1 MET 1 1H MET 1 -5.532 5.540 25.158 2 H2 MET 1 2H MET 1 -6.348 4.073 25.372 3 H3 MET 1 3H MET 1 -6.491 4.912 23.914 4 HA MET 1 HA MET 1 -4.136 4.592 23.467 5 HB2 MET 1 2HB MET 1 -4.250 2.934 25.997 6 HB3 MET 1 1HB MET 1 -2.901 2.940 24.869 7 HG2 MET 1 2HG MET 1 -2.531 5.310 25.320 8 HG3 MET 1 1HG MET 1 -3.886 5.307 26.448 9 HE1 MET 1 3HE MET 1 -0.754 5.619 28.798 10 HE2 MET 1 1HE MET 1 -2.308 6.323 28.346 11 HE3 MET 1 2HE MET 1 -0.967 6.337 27.200 12 H ALA 2 H ALA 2 -4.921 3.628 21.616 13 HA ALA 2 HA ALA 2 -5.990 0.897 21.806 14 HB1 ALA 2 3HB ALA 2 -6.676 1.178 19.482 15 HB2 ALA 2 1HB ALA 2 -5.871 2.747 19.420 16 HB3 ALA 2 2HB ALA 2 -7.265 2.510 20.476 17 H GLY 3 H GLY 3 -4.030 2.300 19.178 18 HA2 GLY 3 2HA GLY 3 -1.559 1.586 19.296 19 HA3 GLY 3 1HA GLY 3 -2.226 -0.036 19.375 20 HA PRO 4 HA PRO 4 -2.204 1.790 14.867 21 HB2 PRO 4 2HB PRO 4 0.411 1.887 14.115 22 HB3 PRO 4 1HB PRO 4 -0.446 3.274 14.798 23 HG2 PRO 4 2HG PRO 4 1.422 1.355 16.142 24 HG3 PRO 4 1HG PRO 4 1.319 3.117 16.305 25 HD2 PRO 4 2HD PRO 4 0.256 1.405 18.129 26 HD3 PRO 4 1HD PRO 4 -0.439 3.004 17.795 27 H GLU 5 H GLU 5 -3.047 -0.224 14.326 28 HA GLU 5 HA GLU 5 -1.675 -2.671 14.324 29 HB2 GLU 5 2HB GLU 5 -3.887 -1.768 12.460 30 HB3 GLU 5 1HB GLU 5 -3.403 -3.434 12.745 31 HG2 GLU 5 2HG GLU 5 -4.072 -3.208 15.104 32 HG3 GLU 5 1HG GLU 5 -4.611 -1.559 14.775 33 H GLY 6 H GLY 6 -1.487 0.023 12.173 34 HA2 GLY 6 2HA GLY 6 0.775 -1.037 10.802 35 HA3 GLY 6 1HA GLY 6 -0.654 -1.063 9.777 36 H PHE 7 H PHE 7 0.388 0.420 8.357 37 HA PHE 7 HA PHE 7 0.419 3.202 9.353 38 HB2 PHE 7 2HB PHE 7 2.289 1.985 7.303 39 HB3 PHE 7 1HB PHE 7 2.283 3.669 7.816 40 HD1 PHE 7 HD1 PHE 7 2.906 4.242 10.170 41 HD2 PHE 7 HD2 PHE 7 3.403 0.322 8.576 42 HE1 PHE 7 HE1 PHE 7 4.461 3.698 11.998 43 HE2 PHE 7 HE2 PHE 7 4.956 -0.227 10.401 44 HZ PHE 7 HZ PHE 7 5.488 1.460 12.116 45 H GLN 8 H GLN 8 -0.077 4.848 7.791 46 HA GLN 8 HA GLN 8 -2.025 3.949 5.796 47 HB2 GLN 8 2HB GLN 8 -1.459 6.634 7.052 48 HB3 GLN 8 1HB GLN 8 -2.551 6.447 5.687 49 HG2 GLN 8 2HG GLN 8 -3.983 4.991 6.995 50 HG3 GLN 8 1HG GLN 8 -2.871 5.090 8.359 51 HE21 GLN 8 1HE2 GLN 8 -5.718 5.887 8.074 52 HE22 GLN 8 2HE2 GLN 8 -5.764 7.542 8.570 53 H TYR 9 H TYR 9 -1.500 3.818 3.716 54 HA TYR 9 HA TYR 9 0.618 5.575 2.633 55 HB2 TYR 9 2HB TYR 9 -0.341 2.869 1.658 56 HB3 TYR 9 1HB TYR 9 0.820 3.880 0.803 57 HD1 TYR 9 HD1 TYR 9 0.278 1.930 3.918 58 HD2 TYR 9 HD2 TYR 9 3.118 3.890 1.417 59 HE1 TYR 9 HE1 TYR 9 2.108 0.898 5.194 60 HE2 TYR 9 HE2 TYR 9 4.952 2.860 2.689 61 HH TYR 9 HH TYR 9 5.376 1.876 4.858 62 H ARG 10 H ARG 10 0.010 7.083 1.175 63 HA ARG 10 HA ARG 10 -2.793 7.094 0.293 64 HB2 ARG 10 2HB ARG 10 -2.082 9.077 1.462 65 HB3 ARG 10 1HB ARG 10 -0.690 9.259 0.409 66 HG2 ARG 10 2HG ARG 10 -2.198 9.714 -1.482 67 HG3 ARG 10 1HG ARG 10 -3.579 9.577 -0.392 68 HD2 ARG 10 2HD ARG 10 -2.819 11.476 0.893 69 HD3 ARG 10 1HD ARG 10 -1.325 11.560 -0.042 70 HE ARG 10 HE ARG 10 -3.316 11.827 -1.893 71 HH11 ARG 10 1HH1 ARG 10 -2.486 13.517 0.998 72 HH12 ARG 10 2HH1 ARG 10 -3.062 15.032 0.393 73 HH21 ARG 10 1HH2 ARG 10 -4.021 13.774 -2.644 74 HH22 ARG 10 2HH2 ARG 10 -3.909 15.177 -1.636 75 H ALA 11 H ALA 11 -3.285 6.469 -1.709 76 HA ALA 11 HA ALA 11 -1.357 5.961 -3.734 77 HB1 ALA 11 3HB ALA 11 -3.434 4.695 -3.577 78 HB2 ALA 11 1HB ALA 11 -3.287 5.456 -5.162 79 HB3 ALA 11 2HB ALA 11 -4.363 6.147 -3.948 80 H LEU 12 H LEU 12 -0.417 7.347 -5.075 81 HA LEU 12 HA LEU 12 -1.070 10.124 -5.070 82 HB2 LEU 12 2HB LEU 12 0.839 8.656 -6.891 83 HB3 LEU 12 1HB LEU 12 0.829 10.378 -6.554 84 HG LEU 12 HG LEU 12 1.509 8.178 -4.592 85 HD11 LEU 12 1HD1 LEU 12 3.755 9.168 -4.637 86 HD12 LEU 12 2HD1 LEU 12 3.232 10.291 -5.893 87 HD13 LEU 12 3HD1 LEU 12 3.269 8.557 -6.217 88 HD21 LEU 12 3HD2 LEU 12 2.078 9.986 -3.038 89 HD22 LEU 12 1HD2 LEU 12 0.363 10.003 -3.455 90 HD23 LEU 12 2HD2 LEU 12 1.462 11.173 -4.190 91 H TYR 13 H TYR 13 -0.971 7.771 -7.762 92 HA TYR 13 HA TYR 13 -2.958 9.421 -9.196 93 HB2 TYR 13 2HB TYR 13 -0.524 8.068 -10.409 94 HB3 TYR 13 1HB TYR 13 -1.755 8.954 -11.306 95 HD1 TYR 13 HD1 TYR 13 -2.052 11.437 -10.805 96 HD2 TYR 13 HD2 TYR 13 1.317 9.209 -9.461 97 HE1 TYR 13 HE1 TYR 13 -0.818 13.531 -10.451 98 HE2 TYR 13 HE2 TYR 13 2.562 11.298 -9.104 99 HH TYR 13 HH TYR 13 1.056 14.359 -9.133 100 HA PRO 14 HA PRO 14 -5.314 5.750 -9.820 101 HB2 PRO 14 2HB PRO 14 -6.203 6.007 -12.408 102 HB3 PRO 14 1HB PRO 14 -6.879 6.891 -11.034 103 HG2 PRO 14 2HG PRO 14 -4.878 7.796 -13.076 104 HG3 PRO 14 1HG PRO 14 -6.247 8.684 -12.380 105 HD2 PRO 14 2HD PRO 14 -3.702 9.088 -11.563 106 HD3 PRO 14 1HD PRO 14 -5.080 9.216 -10.450 107 H PHE 15 H PHE 15 -4.422 3.804 -9.941 108 HA PHE 15 HA PHE 15 -2.917 3.036 -12.363 109 HB2 PHE 15 2HB PHE 15 -1.382 3.198 -10.499 110 HB3 PHE 15 1HB PHE 15 -2.439 2.229 -9.480 111 HD1 PHE 15 HD1 PHE 15 -0.301 2.099 -12.517 112 HD2 PHE 15 HD2 PHE 15 -2.263 -0.118 -9.449 113 HE1 PHE 15 HE1 PHE 15 0.871 0.060 -13.239 114 HE2 PHE 15 HE2 PHE 15 -1.090 -2.156 -10.170 115 HZ PHE 15 HZ PHE 15 0.478 -2.068 -12.066 116 H ARG 16 H ARG 16 -4.162 1.700 -13.536 117 HA ARG 16 HA ARG 16 -6.052 -0.089 -12.217 118 HB2 ARG 16 2HB ARG 16 -6.921 -0.562 -14.417 119 HB3 ARG 16 1HB ARG 16 -6.724 1.177 -14.251 120 HG2 ARG 16 2HG ARG 16 -4.654 1.072 -15.551 121 HG3 ARG 16 1HG ARG 16 -4.836 -0.673 -15.710 122 HD2 ARG 16 2HD ARG 16 -7.051 -0.227 -16.835 123 HD3 ARG 16 1HD ARG 16 -6.612 1.482 -16.852 124 HE ARG 16 HE ARG 16 -4.742 -0.400 -18.056 125 HH11 ARG 16 1HH1 ARG 16 -7.176 1.995 -18.517 126 HH12 ARG 16 2HH1 ARG 16 -6.765 2.231 -20.184 127 HH21 ARG 16 1HH2 ARG 16 -4.249 -0.110 -20.172 128 HH22 ARG 16 2HH2 ARG 16 -5.120 1.053 -21.113 129 H ARG 17 H ARG 17 -5.617 -2.155 -11.749 130 HA ARG 17 HA ARG 17 -3.112 -3.358 -12.384 131 HB2 ARG 17 2HB ARG 17 -4.316 -3.881 -10.311 132 HB3 ARG 17 1HB ARG 17 -5.636 -4.577 -11.237 133 HG2 ARG 17 2HG ARG 17 -4.312 -6.358 -10.362 134 HG3 ARG 17 1HG ARG 17 -4.056 -6.293 -12.104 135 HD2 ARG 17 2HD ARG 17 -1.946 -5.098 -11.750 136 HD3 ARG 17 1HD ARG 17 -2.201 -5.159 -10.005 137 HE ARG 17 HE ARG 17 -2.218 -7.707 -10.434 138 HH11 ARG 17 1HH1 ARG 17 -0.279 -5.430 -12.141 139 HH12 ARG 17 2HH1 ARG 17 0.997 -6.562 -12.421 140 HH21 ARG 17 1HH2 ARG 17 -0.572 -9.154 -10.801 141 HH22 ARG 17 2HH2 ARG 17 0.834 -8.640 -11.666 142 H GLU 18 H GLU 18 -2.715 -5.245 -13.666 143 HA GLU 18 HA GLU 18 -3.633 -5.372 -16.227 144 HB2 GLU 18 2HB GLU 18 -2.872 -7.829 -14.620 145 HB3 GLU 18 1HB GLU 18 -2.759 -7.633 -16.364 146 HG2 GLU 18 2HG GLU 18 -1.119 -6.214 -14.272 147 HG3 GLU 18 1HG GLU 18 -0.570 -7.460 -15.391 148 H ARG 19 H ARG 19 -4.852 -7.356 -13.545 149 HA ARG 19 HA ARG 19 -7.503 -7.422 -14.840 150 HB2 ARG 19 2HB ARG 19 -6.088 -9.681 -13.392 151 HB3 ARG 19 1HB ARG 19 -7.789 -9.711 -13.838 152 HG2 ARG 19 2HG ARG 19 -7.258 -9.686 -16.173 153 HG3 ARG 19 1HG ARG 19 -5.551 -9.391 -15.833 154 HD2 ARG 19 2HD ARG 19 -7.075 -11.869 -15.013 155 HD3 ARG 19 1HD ARG 19 -6.037 -11.747 -16.435 156 HE ARG 19 HE ARG 19 -4.242 -11.153 -14.705 157 HH11 ARG 19 1HH1 ARG 19 -6.836 -13.345 -14.121 158 HH12 ARG 19 2HH1 ARG 19 -5.951 -14.249 -12.942 159 HH21 ARG 19 1HH2 ARG 19 -3.118 -12.328 -13.205 160 HH22 ARG 19 2HH2 ARG 19 -3.868 -13.678 -12.432 161 HA PRO 20 HA PRO 20 -9.043 -5.663 -11.054 162 HB2 PRO 20 2HB PRO 20 -11.351 -7.527 -11.324 163 HB3 PRO 20 1HB PRO 20 -11.334 -5.764 -11.200 164 HG2 PRO 20 2HG PRO 20 -11.831 -6.952 -13.528 165 HG3 PRO 20 1HG PRO 20 -10.845 -5.481 -13.454 166 HD2 PRO 20 2HD PRO 20 -9.977 -8.331 -13.793 167 HD3 PRO 20 1HD PRO 20 -9.367 -6.862 -14.586 168 H GLU 21 H GLU 21 -8.245 -8.925 -11.319 169 HA GLU 21 HA GLU 21 -9.097 -10.151 -9.002 170 HB2 GLU 21 2HB GLU 21 -7.913 -11.285 -10.834 171 HB3 GLU 21 1HB GLU 21 -6.424 -10.465 -10.387 172 HG2 GLU 21 2HG GLU 21 -6.240 -11.683 -8.368 173 HG3 GLU 21 1HG GLU 21 -7.891 -12.289 -8.498 174 H ASP 22 H ASP 22 -6.260 -8.024 -9.387 175 HA ASP 22 HA ASP 22 -5.624 -8.273 -6.541 176 HB2 ASP 22 2HB ASP 22 -4.249 -6.622 -8.667 177 HB3 ASP 22 1HB ASP 22 -3.646 -6.946 -7.047 178 H LEU 23 H LEU 23 -4.579 -5.666 -6.122 179 HA LEU 23 HA LEU 23 -7.107 -4.233 -5.681 180 HB2 LEU 23 2HB LEU 23 -5.605 -4.856 -3.760 181 HB3 LEU 23 1HB LEU 23 -4.418 -3.738 -4.399 182 HG LEU 23 HG LEU 23 -5.958 -1.864 -4.041 183 HD11 LEU 23 1HD1 LEU 23 -8.057 -2.190 -2.811 184 HD12 LEU 23 2HD1 LEU 23 -7.832 -3.938 -2.894 185 HD13 LEU 23 3HD1 LEU 23 -8.081 -3.010 -4.373 186 HD21 LEU 23 3HD2 LEU 23 -5.938 -1.865 -1.592 187 HD22 LEU 23 1HD2 LEU 23 -4.423 -2.490 -2.243 188 HD23 LEU 23 2HD2 LEU 23 -5.626 -3.603 -1.590 189 H GLU 24 H GLU 24 -7.493 -2.216 -6.479 190 HA GLU 24 HA GLU 24 -5.485 -1.132 -8.355 191 HB2 GLU 24 2HB GLU 24 -8.488 -0.755 -8.369 192 HB3 GLU 24 1HB GLU 24 -7.364 -0.154 -9.582 193 HG2 GLU 24 2HG GLU 24 -6.803 -2.419 -10.239 194 HG3 GLU 24 1HG GLU 24 -7.828 -3.069 -8.961 195 H LEU 25 H LEU 25 -4.974 1.054 -8.363 196 HA LEU 25 HA LEU 25 -5.564 2.401 -5.814 197 HB2 LEU 25 2HB LEU 25 -3.338 2.915 -7.794 198 HB3 LEU 25 1HB LEU 25 -3.518 3.683 -6.227 199 HG LEU 25 HG LEU 25 -2.975 0.743 -6.705 200 HD11 LEU 25 1HD1 LEU 25 -1.047 2.184 -7.168 201 HD12 LEU 25 2HD1 LEU 25 -0.794 1.198 -5.730 202 HD13 LEU 25 3HD1 LEU 25 -1.202 2.906 -5.566 203 HD21 LEU 25 3HD2 LEU 25 -3.202 2.274 -4.109 204 HD22 LEU 25 1HD2 LEU 25 -2.740 0.580 -4.278 205 HD23 LEU 25 2HD2 LEU 25 -4.366 1.098 -4.720 206 H LEU 26 H LEU 26 -6.692 4.252 -5.712 207 HA LEU 26 HA LEU 26 -7.055 5.866 -8.163 208 HB2 LEU 26 2HB LEU 26 -8.899 5.308 -5.855 209 HB3 LEU 26 1HB LEU 26 -9.078 6.793 -6.765 210 HG LEU 26 HG LEU 26 -10.649 5.117 -7.558 211 HD11 LEU 26 1HD1 LEU 26 -10.126 5.154 -9.934 212 HD12 LEU 26 2HD1 LEU 26 -8.451 5.579 -9.573 213 HD13 LEU 26 3HD1 LEU 26 -9.751 6.707 -9.183 214 HD21 LEU 26 3HD2 LEU 26 -9.954 3.040 -8.580 215 HD22 LEU 26 1HD2 LEU 26 -9.353 3.114 -6.924 216 HD23 LEU 26 2HD2 LEU 26 -8.257 3.420 -8.275 217 HA PRO 27 HA PRO 27 -4.739 9.096 -6.326 218 HB2 PRO 27 2HB PRO 27 -5.934 11.343 -7.307 219 HB3 PRO 27 1HB PRO 27 -4.946 10.260 -8.294 220 HG2 PRO 27 2HG PRO 27 -7.934 10.387 -8.040 221 HG3 PRO 27 1HG PRO 27 -6.944 10.239 -9.506 222 HD2 PRO 27 2HD PRO 27 -8.152 8.106 -8.384 223 HD3 PRO 27 1HD PRO 27 -6.568 7.976 -9.175 224 H GLY 28 H GLY 28 -4.965 9.144 -4.127 225 HA2 GLY 28 2HA GLY 28 -5.538 10.769 -2.376 226 HA3 GLY 28 1HA GLY 28 -7.157 10.824 -3.048 227 H ASP 29 H ASP 29 -6.432 7.651 -3.233 228 HA ASP 29 HA ASP 29 -8.015 6.915 -0.990 229 HB2 ASP 29 2HB ASP 29 -6.576 5.498 -3.154 230 HB3 ASP 29 1HB ASP 29 -6.802 4.575 -1.672 231 H VAL 30 H VAL 30 -7.488 6.507 1.048 232 HA VAL 30 HA VAL 30 -4.667 6.327 1.828 233 HB VAL 30 HB VAL 30 -7.156 6.574 3.537 234 HG11 VAL 30 1HG1 VAL 30 -5.403 5.407 4.750 235 HG12 VAL 30 2HG1 VAL 30 -5.610 7.036 5.395 236 HG13 VAL 30 3HG1 VAL 30 -4.244 6.673 4.336 237 HG21 VAL 30 3HG2 VAL 30 -5.051 8.635 2.854 238 HG22 VAL 30 1HG2 VAL 30 -6.427 8.872 3.932 239 HG23 VAL 30 2HG2 VAL 30 -6.693 8.588 2.212 240 H LEU 31 H LEU 31 -3.892 4.312 1.617 241 HA LEU 31 HA LEU 31 -5.565 1.995 2.161 242 HB2 LEU 31 2HB LEU 31 -2.736 2.206 1.118 243 HB3 LEU 31 1HB LEU 31 -3.587 0.693 1.367 244 HG LEU 31 HG LEU 31 -5.339 1.571 -0.274 245 HD11 LEU 31 1HD1 LEU 31 -3.124 3.512 -0.938 246 HD12 LEU 31 2HD1 LEU 31 -4.699 3.926 -0.253 247 HD13 LEU 31 3HD1 LEU 31 -4.595 3.250 -1.878 248 HD21 LEU 31 3HD2 LEU 31 -4.064 0.839 -2.201 249 HD22 LEU 31 1HD2 LEU 31 -3.720 -0.185 -0.807 250 HD23 LEU 31 2HD2 LEU 31 -2.555 1.043 -1.306 251 H VAL 32 H VAL 32 -5.501 0.812 3.966 252 HA VAL 32 HA VAL 32 -3.525 1.458 6.032 253 HB VAL 32 HB VAL 32 -5.961 -0.340 6.216 254 HG11 VAL 32 1HG1 VAL 32 -4.159 0.775 8.375 255 HG12 VAL 32 2HG1 VAL 32 -4.300 -0.916 7.895 256 HG13 VAL 32 3HG1 VAL 32 -5.664 -0.099 8.660 257 HG21 VAL 32 3HG2 VAL 32 -6.596 1.972 5.740 258 HG22 VAL 32 1HG2 VAL 32 -5.606 2.536 7.089 259 HG23 VAL 32 2HG2 VAL 32 -7.027 1.535 7.393 260 H VAL 33 H VAL 33 -1.640 0.381 5.765 261 HA VAL 33 HA VAL 33 -1.709 -2.507 5.160 262 HB VAL 33 HB VAL 33 0.640 -0.590 5.052 263 HG11 VAL 33 1HG1 VAL 33 0.432 -3.482 4.189 264 HG12 VAL 33 2HG1 VAL 33 1.347 -2.871 5.567 265 HG13 VAL 33 3HG1 VAL 33 1.822 -2.430 3.927 266 HG21 VAL 33 3HG2 VAL 33 -1.006 -0.118 3.303 267 HG22 VAL 33 1HG2 VAL 33 -0.980 -1.810 2.803 268 HG23 VAL 33 2HG2 VAL 33 0.461 -0.810 2.611 269 H SER 34 H SER 34 -1.463 -3.876 6.843 270 HA SER 34 HA SER 34 -0.910 -2.901 9.461 271 HB2 SER 34 2HB SER 34 -1.166 -5.191 10.216 272 HB3 SER 34 1HB SER 34 -2.407 -4.841 9.015 273 HG SER 34 HG SER 34 -1.570 -6.789 8.453 274 H ARG 35 H ARG 35 0.887 -3.077 10.752 275 HA ARG 35 HA ARG 35 3.440 -3.170 9.578 276 HB2 ARG 35 2HB ARG 35 2.997 -2.000 11.683 277 HB3 ARG 35 1HB ARG 35 2.650 -3.527 12.484 278 HG2 ARG 35 2HG ARG 35 4.949 -4.225 12.264 279 HG3 ARG 35 1HG ARG 35 5.324 -2.803 11.288 280 HD2 ARG 35 2HD ARG 35 6.061 -2.623 13.668 281 HD3 ARG 35 1HD ARG 35 4.968 -1.341 13.155 282 HE ARG 35 HE ARG 35 3.345 -2.165 14.581 283 HH11 ARG 35 1HH1 ARG 35 6.079 -4.266 14.544 284 HH12 ARG 35 2HH1 ARG 35 5.538 -5.174 15.912 285 HH21 ARG 35 1HH2 ARG 35 2.665 -3.345 16.342 286 HH22 ARG 35 2HH2 ARG 35 3.614 -4.676 16.899 287 H ALA 36 H ALA 36 1.433 -5.676 10.952 288 HA ALA 36 HA ALA 36 3.318 -7.758 11.141 289 HB1 ALA 36 3HB ALA 36 0.376 -7.953 10.470 290 HB2 ALA 36 1HB ALA 36 1.055 -7.885 12.096 291 HB3 ALA 36 2HB ALA 36 1.399 -9.265 11.054 292 H ALA 37 H ALA 37 1.239 -6.730 8.419 293 HA ALA 37 HA ALA 37 2.051 -8.654 6.547 294 HB1 ALA 37 3HB ALA 37 1.216 -5.795 6.023 295 HB2 ALA 37 1HB ALA 37 0.127 -7.171 6.199 296 HB3 ALA 37 2HB ALA 37 1.244 -7.101 4.838 297 H LEU 38 H LEU 38 3.390 -5.418 7.230 298 HA LEU 38 HA LEU 38 5.438 -5.342 5.353 299 HB2 LEU 38 2HB LEU 38 5.450 -4.275 8.181 300 HB3 LEU 38 1HB LEU 38 6.611 -3.830 6.944 301 HG LEU 38 HG LEU 38 3.637 -3.269 6.856 302 HD11 LEU 38 1HD1 LEU 38 4.810 -1.898 8.498 303 HD12 LEU 38 2HD1 LEU 38 4.301 -0.929 7.117 304 HD13 LEU 38 3HD1 LEU 38 5.988 -1.420 7.275 305 HD21 LEU 38 3HD2 LEU 38 5.839 -2.521 4.924 306 HD22 LEU 38 1HD2 LEU 38 4.180 -1.925 4.860 307 HD23 LEU 38 2HD2 LEU 38 4.510 -3.638 4.617 308 H GLN 39 H GLN 39 5.488 -6.787 8.609 309 HA GLN 39 HA GLN 39 8.156 -7.657 8.625 310 HB2 GLN 39 2HB GLN 39 5.700 -8.792 9.980 311 HB3 GLN 39 1HB GLN 39 7.333 -9.372 10.294 312 HG2 GLN 39 2HG GLN 39 6.433 -6.519 10.703 313 HG3 GLN 39 1HG GLN 39 6.493 -7.744 11.972 314 HE21 GLN 39 1HE2 GLN 39 8.406 -5.730 9.845 315 HE22 GLN 39 2HE2 GLN 39 9.903 -5.956 10.672 316 H ALA 40 H ALA 40 5.228 -9.307 7.436 317 HA ALA 40 HA ALA 40 6.464 -11.709 6.622 318 HB1 ALA 40 3HB ALA 40 4.048 -11.490 6.788 319 HB2 ALA 40 1HB ALA 40 4.503 -12.006 5.164 320 HB3 ALA 40 2HB ALA 40 4.040 -10.328 5.460 321 H LEU 41 H LEU 41 6.009 -8.629 4.938 322 HA LEU 41 HA LEU 41 7.082 -9.388 2.425 323 HB2 LEU 41 2HB LEU 41 7.069 -6.654 3.720 324 HB3 LEU 41 1HB LEU 41 7.310 -6.981 2.014 325 HG LEU 41 HG LEU 41 4.762 -7.525 3.552 326 HD11 LEU 41 1HD1 LEU 41 3.836 -5.649 2.291 327 HD12 LEU 41 2HD1 LEU 41 5.415 -5.349 1.560 328 HD13 LEU 41 3HD1 LEU 41 5.189 -5.137 3.297 329 HD21 LEU 41 3HD2 LEU 41 5.072 -9.089 1.708 330 HD22 LEU 41 1HD2 LEU 41 5.367 -7.749 0.599 331 HD23 LEU 41 2HD2 LEU 41 3.779 -7.948 1.347 332 H GLY 42 H GLY 42 8.577 -8.571 5.443 333 HA2 GLY 42 2HA GLY 42 10.861 -8.941 5.953 334 HA3 GLY 42 1HA GLY 42 11.246 -8.849 4.242 335 H VAL 43 H VAL 43 9.191 -6.431 5.631 336 HA VAL 43 HA VAL 43 11.143 -4.362 5.072 337 HB VAL 43 HB VAL 43 8.338 -4.083 6.184 338 HG11 VAL 43 1HG1 VAL 43 9.751 -2.137 6.633 339 HG12 VAL 43 2HG1 VAL 43 8.504 -1.754 5.445 340 HG13 VAL 43 3HG1 VAL 43 10.166 -2.031 4.921 341 HG21 VAL 43 3HG2 VAL 43 9.317 -3.896 3.329 342 HG22 VAL 43 1HG2 VAL 43 7.688 -3.502 3.878 343 HG23 VAL 43 2HG2 VAL 43 8.284 -5.158 4.001 344 H ALA 44 H ALA 44 12.690 -4.080 6.550 345 HA ALA 44 HA ALA 44 12.406 -4.628 9.325 346 HB1 ALA 44 3HB ALA 44 14.563 -3.075 7.890 347 HB2 ALA 44 1HB ALA 44 14.549 -4.817 8.167 348 HB3 ALA 44 2HB ALA 44 14.660 -3.708 9.534 349 H GLU 45 H GLU 45 12.431 -3.190 11.089 350 HA GLU 45 HA GLU 45 10.730 -0.951 10.885 351 HB2 GLU 45 2HB GLU 45 12.632 -1.627 13.145 352 HB3 GLU 45 1HB GLU 45 11.216 -0.588 13.244 353 HG2 GLU 45 2HG GLU 45 9.769 -2.497 12.767 354 HG3 GLU 45 1HG GLU 45 11.183 -3.543 12.644 355 H GLY 46 H GLY 46 11.197 1.003 10.075 356 HA2 GLY 46 2HA GLY 46 12.624 3.016 10.245 357 HA3 GLY 46 1HA GLY 46 14.011 1.942 10.160 358 H GLY 47 H GLY 47 12.149 0.442 8.080 359 HA2 GLY 47 2HA GLY 47 12.860 2.173 5.774 360 HA3 GLY 47 1HA GLY 47 12.817 0.420 5.719 361 H GLU 48 H GLU 48 10.249 1.529 7.536 362 HA GLU 48 HA GLU 48 8.319 0.577 5.686 363 HB2 GLU 48 2HB GLU 48 6.656 1.185 7.338 364 HB3 GLU 48 1HB GLU 48 8.032 0.446 8.142 365 HG2 GLU 48 2HG GLU 48 7.532 3.420 7.984 366 HG3 GLU 48 1HG GLU 48 7.083 2.397 9.346 367 H ARG 49 H ARG 49 9.648 3.737 6.224 368 HA ARG 49 HA ARG 49 7.439 5.169 5.059 369 HB2 ARG 49 2HB ARG 49 10.265 6.128 5.540 370 HB3 ARG 49 1HB ARG 49 8.872 7.138 5.174 371 HG2 ARG 49 2HG ARG 49 7.835 6.206 7.312 372 HG3 ARG 49 1HG ARG 49 9.446 5.587 7.685 373 HD2 ARG 49 2HD ARG 49 8.606 8.460 7.309 374 HD3 ARG 49 1HD ARG 49 9.221 7.695 8.775 375 HE ARG 49 HE ARG 49 11.380 7.523 7.665 376 HH11 ARG 49 1HH1 ARG 49 9.080 9.727 6.323 377 HH12 ARG 49 2HH1 ARG 49 10.290 10.617 5.461 378 HH21 ARG 49 1HH2 ARG 49 12.906 8.693 6.576 379 HH22 ARG 49 2HH2 ARG 49 12.424 10.054 5.619 380 H CYS 50 H CYS 50 9.689 3.187 3.648 381 HA CYS 50 HA CYS 50 9.551 4.694 1.101 382 HB2 CYS 50 2HB CYS 50 11.864 4.489 1.869 383 HB3 CYS 50 1HB CYS 50 11.692 2.740 1.980 384 HG CYS 50 HG CYS 50 13.219 3.681 -0.305 385 HA PRO 51 HA PRO 51 7.042 0.884 0.339 386 HB2 PRO 51 2HB PRO 51 5.382 2.096 -1.469 387 HB3 PRO 51 1HB PRO 51 5.096 2.113 0.275 388 HG2 PRO 51 2HG PRO 51 6.334 4.223 -1.462 389 HG3 PRO 51 1HG PRO 51 5.140 4.402 -0.161 390 HD2 PRO 51 2HD PRO 51 7.762 4.924 0.221 391 HD3 PRO 51 1HD PRO 51 6.746 4.234 1.506 392 H GLN 52 H GLN 52 8.728 3.155 -1.692 393 HA GLN 52 HA GLN 52 8.753 1.770 -4.138 394 HB2 GLN 52 2HB GLN 52 10.845 3.578 -2.900 395 HB3 GLN 52 1HB GLN 52 10.868 3.039 -4.574 396 HG2 GLN 52 2HG GLN 52 8.816 4.217 -5.035 397 HG3 GLN 52 1HG GLN 52 8.646 4.656 -3.335 398 HE21 GLN 52 1HE2 GLN 52 8.639 6.859 -3.836 399 HE22 GLN 52 2HE2 GLN 52 10.073 7.699 -4.302 400 H SER 53 H SER 53 11.041 1.661 -1.405 401 HA SER 53 HA SER 53 12.779 -0.278 -2.507 402 HB2 SER 53 2HB SER 53 13.359 1.194 -0.573 403 HB3 SER 53 1HB SER 53 12.262 0.254 0.436 404 HG SER 53 HG SER 53 14.801 -0.331 -0.445 405 H VAL 54 H VAL 54 9.759 -0.535 -0.796 406 HA VAL 54 HA VAL 54 9.844 -3.315 -0.190 407 HB VAL 54 HB VAL 54 7.477 -1.457 -0.564 408 HG11 VAL 54 1HG1 VAL 54 7.538 -4.200 0.708 409 HG12 VAL 54 2HG1 VAL 54 6.796 -3.796 -0.839 410 HG13 VAL 54 3HG1 VAL 54 6.150 -3.112 0.651 411 HG21 VAL 54 3HG2 VAL 54 8.894 -2.381 1.943 412 HG22 VAL 54 1HG2 VAL 54 7.446 -1.376 1.894 413 HG23 VAL 54 2HG2 VAL 54 8.965 -0.766 1.243 414 H GLY 55 H GLY 55 8.715 -1.469 -2.994 415 HA2 GLY 55 2HA GLY 55 8.433 -2.196 -5.182 416 HA3 GLY 55 1HA GLY 55 8.812 -3.830 -4.663 417 H TRP 56 H TRP 56 7.083 -5.052 -3.575 418 HA TRP 56 HA TRP 56 4.375 -4.174 -4.387 419 HB2 TRP 56 2HB TRP 56 5.449 -7.011 -4.328 420 HB3 TRP 56 1HB TRP 56 3.799 -6.555 -4.729 421 HD1 TRP 56 HD1 TRP 56 4.367 -4.197 -6.774 422 HE1 TRP 56 HE1 TRP 56 5.372 -4.726 -9.084 423 HE3 TRP 56 HE3 TRP 56 6.464 -8.746 -5.724 424 HZ2 TRP 56 HZ2 TRP 56 6.846 -6.801 -10.301 425 HZ3 TRP 56 HZ3 TRP 56 7.647 -9.941 -7.521 426 HH2 TRP 56 HH2 TRP 56 7.832 -8.985 -9.765 427 H MET 57 H MET 57 2.970 -3.947 -2.746 428 HA MET 57 HA MET 57 3.302 -5.585 -0.324 429 HB2 MET 57 2HB MET 57 2.730 -3.534 1.055 430 HB3 MET 57 1HB MET 57 4.337 -3.555 0.345 431 HG2 MET 57 2HG MET 57 3.782 -1.941 -1.251 432 HG3 MET 57 1HG MET 57 2.056 -2.167 -1.006 433 HE1 MET 57 3HE MET 57 5.384 -0.865 0.676 434 HE2 MET 57 1HE MET 57 4.687 -1.923 1.905 435 HE3 MET 57 2HE MET 57 4.752 -0.181 2.176 436 HA PRO 58 HA PRO 58 -1.177 -5.722 -0.643 437 HB2 PRO 58 2HB PRO 58 -1.733 -7.140 1.551 438 HB3 PRO 58 1HB PRO 58 -0.843 -7.863 0.206 439 HG2 PRO 58 2HG PRO 58 0.178 -6.841 2.824 440 HG3 PRO 58 1HG PRO 58 0.689 -8.267 1.903 441 HD2 PRO 58 2HD PRO 58 1.977 -5.780 1.911 442 HD3 PRO 58 1HD PRO 58 2.208 -7.059 0.702 443 H GLY 59 H GLY 59 -2.905 -4.472 0.030 444 HA2 GLY 59 2HA GLY 59 -2.768 -3.126 2.638 445 HA3 GLY 59 1HA GLY 59 -2.790 -2.107 1.209 446 H LEU 60 H LEU 60 -4.702 -1.358 2.560 447 HA LEU 60 HA LEU 60 -7.137 -2.713 1.594 448 HB2 LEU 60 2HB LEU 60 -6.880 -3.268 3.942 449 HB3 LEU 60 1HB LEU 60 -6.639 -1.582 4.353 450 HG LEU 60 HG LEU 60 -8.986 -1.108 3.655 451 HD11 LEU 60 1HD1 LEU 60 -10.542 -2.969 3.342 452 HD12 LEU 60 2HD1 LEU 60 -9.198 -4.113 3.413 453 HD13 LEU 60 3HD1 LEU 60 -9.300 -2.948 2.090 454 HD21 LEU 60 3HD2 LEU 60 -8.471 -1.466 5.997 455 HD22 LEU 60 1HD2 LEU 60 -8.641 -3.210 5.798 456 HD23 LEU 60 2HD2 LEU 60 -10.046 -2.160 5.611 457 H ASN 61 H ASN 61 -7.916 -1.310 0.096 458 HA ASN 61 HA ASN 61 -7.710 1.558 0.397 459 HB2 ASN 61 2HB ASN 61 -8.957 -0.258 -1.658 460 HB3 ASN 61 1HB ASN 61 -9.310 1.463 -1.666 461 HD21 ASN 61 1HD2 ASN 61 -7.724 2.906 -2.230 462 HD22 ASN 61 2HD2 ASN 61 -6.239 2.413 -2.961 463 H GLU 62 H GLU 62 -9.159 2.908 1.316 464 HA GLU 62 HA GLU 62 -11.378 1.877 2.739 465 HB2 GLU 62 2HB GLU 62 -10.586 4.728 2.125 466 HB3 GLU 62 1HB GLU 62 -11.931 4.295 3.174 467 HG2 GLU 62 2HG GLU 62 -10.220 2.941 4.514 468 HG3 GLU 62 1HG GLU 62 -8.995 3.819 3.605 469 H ARG 63 H ARG 63 -11.119 3.148 -0.512 470 HA ARG 63 HA ARG 63 -13.947 3.471 -0.907 471 HB2 ARG 63 2HB ARG 63 -11.630 3.216 -2.824 472 HB3 ARG 63 1HB ARG 63 -13.291 3.319 -3.386 473 HG2 ARG 63 2HG ARG 63 -13.478 5.498 -2.153 474 HG3 ARG 63 1HG ARG 63 -11.739 5.398 -1.857 475 HD2 ARG 63 2HD ARG 63 -11.289 5.400 -4.234 476 HD3 ARG 63 1HD ARG 63 -13.011 5.327 -4.600 477 HE ARG 63 HE ARG 63 -12.192 7.627 -3.058 478 HH11 ARG 63 1HH1 ARG 63 -12.708 6.335 -6.216 479 HH12 ARG 63 2HH1 ARG 63 -12.896 7.893 -6.941 480 HH21 ARG 63 1HH2 ARG 63 -12.437 9.626 -4.011 481 HH22 ARG 63 2HH2 ARG 63 -12.725 9.731 -5.711 482 H THR 64 H THR 64 -11.645 0.917 -1.879 483 HA THR 64 HA THR 64 -13.606 -0.703 -3.153 484 HB THR 64 HB THR 64 -11.908 -2.434 -3.284 485 HG1 THR 64 HG1 THR 64 -9.904 -2.139 -2.165 486 HG21 THR 64 3HG2 THR 64 -10.664 0.303 -3.648 487 HG22 THR 64 1HG2 THR 64 -11.669 -0.540 -4.829 488 HG23 THR 64 2HG2 THR 64 -10.097 -1.197 -4.382 489 H ARG 65 H ARG 65 -12.551 -0.450 0.153 490 HA ARG 65 HA ARG 65 -13.133 -1.505 2.087 491 HB2 ARG 65 2HB ARG 65 -15.383 -2.700 0.441 492 HB3 ARG 65 1HB ARG 65 -15.286 -2.710 2.197 493 HG2 ARG 65 2HG ARG 65 -15.471 -0.223 0.492 494 HG3 ARG 65 1HG ARG 65 -16.827 -0.996 1.311 495 HD2 ARG 65 2HD ARG 65 -14.377 0.132 2.667 496 HD3 ARG 65 1HD ARG 65 -15.942 0.935 2.558 497 HE ARG 65 HE ARG 65 -15.983 -1.687 3.788 498 HH11 ARG 65 1HH1 ARG 65 -15.749 1.716 4.288 499 HH12 ARG 65 2HH1 ARG 65 -16.192 1.608 5.956 500 HH21 ARG 65 1HH2 ARG 65 -16.571 -1.805 5.915 501 HH22 ARG 65 2HH2 ARG 65 -16.690 -0.357 6.856 502 H GLN 66 H GLN 66 -11.609 -2.889 -0.265 503 HA GLN 66 HA GLN 66 -11.618 -5.611 0.885 504 HB2 GLN 66 2HB GLN 66 -11.446 -4.854 -2.042 505 HB3 GLN 66 1HB GLN 66 -11.156 -6.474 -1.421 506 HG2 GLN 66 2HG GLN 66 -13.745 -4.953 -1.158 507 HG3 GLN 66 1HG GLN 66 -13.407 -6.186 -2.373 508 HE21 GLN 66 1HE2 GLN 66 -15.436 -6.104 -0.258 509 HE22 GLN 66 2HE2 GLN 66 -15.194 -7.537 0.676 510 H ARG 67 H ARG 67 -9.643 -6.825 0.532 511 HA ARG 67 HA ARG 67 -7.247 -5.168 0.745 512 HB2 ARG 67 2HB ARG 67 -7.720 -8.133 1.162 513 HB3 ARG 67 1HB ARG 67 -6.160 -7.351 1.367 514 HG2 ARG 67 2HG ARG 67 -7.009 -6.035 3.208 515 HG3 ARG 67 1HG ARG 67 -8.637 -6.666 2.950 516 HD2 ARG 67 2HD ARG 67 -7.423 -7.758 4.834 517 HD3 ARG 67 1HD ARG 67 -7.945 -8.882 3.579 518 HE ARG 67 HE ARG 67 -5.335 -8.109 2.983 519 HH11 ARG 67 1HH1 ARG 67 -6.981 -9.872 5.459 520 HH12 ARG 67 2HH1 ARG 67 -5.613 -10.876 5.792 521 HH21 ARG 67 1HH2 ARG 67 -3.617 -9.422 3.409 522 HH22 ARG 67 2HH2 ARG 67 -3.740 -10.646 4.626 523 H GLY 68 H GLY 68 -5.210 -6.288 -0.273 524 HA2 GLY 68 2HA GLY 68 -5.135 -7.975 -2.399 525 HA3 GLY 68 1HA GLY 68 -5.654 -6.464 -3.130 526 H ASP 69 H ASP 69 -3.351 -7.572 -4.000 527 HA ASP 69 HA ASP 69 -1.121 -6.268 -2.610 528 HB2 ASP 69 2HB ASP 69 -1.052 -8.145 -4.986 529 HB3 ASP 69 1HB ASP 69 0.317 -7.646 -3.993 530 H PHE 70 H PHE 70 -0.215 -4.419 -3.331 531 HA PHE 70 HA PHE 70 -0.666 -3.598 -6.125 532 HB2 PHE 70 2HB PHE 70 -1.174 -1.321 -5.427 533 HB3 PHE 70 1HB PHE 70 -2.297 -2.435 -4.657 534 HD1 PHE 70 HD1 PHE 70 -2.059 -2.962 -2.242 535 HD2 PHE 70 HD2 PHE 70 0.326 0.020 -4.137 536 HE1 PHE 70 HE1 PHE 70 -1.478 -2.025 -0.044 537 HE2 PHE 70 HE2 PHE 70 0.910 0.953 -1.938 538 HZ PHE 70 HZ PHE 70 0.008 -0.069 0.112 539 HA PRO 71 HA PRO 71 3.663 -2.414 -6.011 540 HB2 PRO 71 2HB PRO 71 3.750 -0.489 -7.916 541 HB3 PRO 71 1HB PRO 71 3.510 -2.198 -8.311 542 HG2 PRO 71 2HG PRO 71 1.477 -0.004 -8.080 543 HG3 PRO 71 1HG PRO 71 1.622 -1.269 -9.316 544 HD2 PRO 71 2HD PRO 71 -0.129 -1.427 -7.232 545 HD3 PRO 71 1HD PRO 71 0.597 -2.857 -7.992 546 H GLY 72 H GLY 72 4.594 -1.293 -4.408 547 HA2 GLY 72 2HA GLY 72 3.341 0.920 -3.125 548 HA3 GLY 72 1HA GLY 72 4.940 0.290 -2.776 549 H THR 73 H THR 73 4.908 0.990 -6.012 550 HA THR 73 HA THR 73 6.582 3.294 -5.687 551 HB THR 73 HB THR 73 6.664 3.318 -8.174 552 HG1 THR 73 HG1 THR 73 5.550 1.589 -9.264 553 HG21 THR 73 3HG2 THR 73 7.785 1.163 -8.446 554 HG22 THR 73 1HG2 THR 73 7.030 0.564 -6.969 555 HG23 THR 73 2HG2 THR 73 8.204 1.878 -6.890 556 H TYR 74 H TYR 74 3.198 2.889 -6.060 557 HA TYR 74 HA TYR 74 2.884 5.652 -7.055 558 HB2 TYR 74 2HB TYR 74 0.991 3.295 -7.124 559 HB3 TYR 74 1HB TYR 74 0.515 4.931 -7.568 560 HD1 TYR 74 HD2 TYR 74 1.575 6.027 -9.548 561 HD2 TYR 74 HD1 TYR 74 2.219 1.916 -8.638 562 HE1 TYR 74 HE2 TYR 74 2.382 5.651 -11.840 563 HE2 TYR 74 HE1 TYR 74 3.032 1.533 -10.927 564 HH TYR 74 HH TYR 74 2.818 2.547 -13.154 565 H VAL 75 H VAL 75 3.248 4.601 -4.139 566 HA VAL 75 HA VAL 75 1.022 6.206 -3.051 567 HB VAL 75 HB VAL 75 0.884 4.733 -1.078 568 HG11 VAL 75 1HG1 VAL 75 -0.324 2.885 -2.132 569 HG12 VAL 75 2HG1 VAL 75 0.414 3.281 -3.683 570 HG13 VAL 75 3HG1 VAL 75 -0.693 4.420 -2.918 571 HG21 VAL 75 3HG2 VAL 75 3.122 3.772 -1.121 572 HG22 VAL 75 1HG2 VAL 75 2.748 2.921 -2.620 573 HG23 VAL 75 2HG2 VAL 75 1.908 2.493 -1.131 574 H GLU 76 H GLU 76 1.461 7.446 -1.223 575 HA GLU 76 HA GLU 76 4.308 7.697 -0.469 576 HB2 GLU 76 2HB GLU 76 3.766 9.972 0.275 577 HB3 GLU 76 1HB GLU 76 3.321 9.744 -1.411 578 HG2 GLU 76 2HG GLU 76 0.996 9.531 -0.831 579 HG3 GLU 76 1HG GLU 76 1.378 9.552 0.889 580 H PHE 77 H PHE 77 4.868 7.907 1.761 581 HA PHE 77 HA PHE 77 3.128 6.436 3.551 582 HB2 PHE 77 2HB PHE 77 5.502 5.966 3.622 583 HB3 PHE 77 1HB PHE 77 5.872 7.654 3.952 584 HD1 PHE 77 HD2 PHE 77 4.222 4.637 5.373 585 HD2 PHE 77 HD1 PHE 77 5.921 8.466 6.164 586 HE1 PHE 77 HE2 PHE 77 4.129 4.187 7.784 587 HE2 PHE 77 HE1 PHE 77 5.819 8.013 8.577 588 HZ PHE 77 HZ PHE 77 4.923 5.871 9.388 589 H LEU 78 H LEU 78 1.541 7.409 4.623 590 HA LEU 78 HA LEU 78 1.562 10.250 5.185 591 HB2 LEU 78 2HB LEU 78 -0.441 8.112 5.932 592 HB3 LEU 78 1HB LEU 78 -0.676 9.837 6.151 593 HG LEU 78 HG LEU 78 -0.360 8.435 3.490 594 HD11 LEU 78 1HD1 LEU 78 -2.796 9.615 4.827 595 HD12 LEU 78 2HD1 LEU 78 -2.488 7.905 4.519 596 HD13 LEU 78 3HD1 LEU 78 -2.729 9.014 3.170 597 HD21 LEU 78 3HD2 LEU 78 -0.964 11.329 4.117 598 HD22 LEU 78 1HD2 LEU 78 -0.978 10.597 2.512 599 HD23 LEU 78 2HD2 LEU 78 0.530 10.708 3.417 600 H GLY 79 H GLY 79 1.151 7.351 7.254 601 HA2 GLY 79 2HA GLY 79 3.026 7.776 9.166 602 HA3 GLY 79 1HA GLY 79 1.744 8.876 9.644 603 HA PRO 80 HA PRO 80 0.764 4.651 11.398 604 HB2 PRO 80 2HB PRO 80 1.208 5.101 14.002 605 HB3 PRO 80 1HB PRO 80 2.537 4.721 12.899 606 HG2 PRO 80 2HG PRO 80 1.665 7.386 13.960 607 HG3 PRO 80 1HG PRO 80 3.306 6.737 13.783 608 HD2 PRO 80 2HD PRO 80 2.123 8.465 11.987 609 HD3 PRO 80 1HD PRO 80 3.430 7.337 11.572 610 H LEU 81 H LEU 81 -1.115 4.071 12.611 611 HA LEU 81 HA LEU 81 -3.118 6.199 12.807 612 HB2 LEU 81 2HB LEU 81 -3.425 3.190 12.975 613 HB3 LEU 81 1HB LEU 81 -4.745 4.343 13.029 614 HG LEU 81 HG LEU 81 -4.032 5.092 10.703 615 HD11 LEU 81 1HD1 LEU 81 -1.775 4.157 10.713 616 HD12 LEU 81 2HD1 LEU 81 -2.725 3.529 9.368 617 HD13 LEU 81 3HD1 LEU 81 -2.445 2.526 10.788 618 HD21 LEU 81 3HD2 LEU 81 -5.178 3.242 9.593 619 HD22 LEU 81 1HD2 LEU 81 -5.997 3.699 11.088 620 HD23 LEU 81 2HD2 LEU 81 -4.994 2.250 11.039 621 H GLU 82 H GLU 82 -4.610 6.240 14.678 622 HA GLU 82 HA GLU 82 -3.153 5.836 17.172 623 HB2 GLU 82 2HB GLU 82 -5.150 7.025 18.209 624 HB3 GLU 82 1HB GLU 82 -4.148 7.961 17.114 625 HG2 GLU 82 2HG GLU 82 -6.646 6.621 16.134 626 HG3 GLU 82 1HG GLU 82 -6.719 8.167 16.976 Start of MODEL 18 1 H1 MET 1 1H MET 1 -11.345 2.435 21.495 2 H2 MET 1 2H MET 1 -11.366 1.701 23.017 3 H3 MET 1 3H MET 1 -11.281 0.749 21.621 4 HA MET 1 HA MET 1 -9.202 2.634 22.574 5 HB2 MET 1 2HB MET 1 -9.280 -0.393 22.529 6 HB3 MET 1 1HB MET 1 -7.843 0.555 22.884 7 HG2 MET 1 2HG MET 1 -8.993 1.531 24.829 8 HG3 MET 1 1HG MET 1 -10.394 0.517 24.481 9 HE1 MET 1 3HE MET 1 -6.263 -1.183 25.661 10 HE2 MET 1 1HE MET 1 -6.595 0.542 25.513 11 HE3 MET 1 2HE MET 1 -6.601 -0.481 24.077 12 H ALA 2 H ALA 2 -7.410 2.898 21.265 13 HA ALA 2 HA ALA 2 -7.630 1.824 18.518 14 HB1 ALA 2 3HB ALA 2 -6.567 4.516 19.388 15 HB2 ALA 2 1HB ALA 2 -8.130 4.218 18.628 16 HB3 ALA 2 2HB ALA 2 -6.641 3.918 17.729 17 H GLY 3 H GLY 3 -5.112 2.856 17.646 18 HA2 GLY 3 2HA GLY 3 -2.786 2.512 18.769 19 HA3 GLY 3 1HA GLY 3 -3.364 0.860 18.936 20 HA PRO 4 HA PRO 4 -1.427 1.851 14.649 21 HB2 PRO 4 2HB PRO 4 1.021 0.495 15.557 22 HB3 PRO 4 1HB PRO 4 0.837 2.061 14.765 23 HG2 PRO 4 2HG PRO 4 1.537 1.843 17.361 24 HG3 PRO 4 1HG PRO 4 0.546 3.186 16.760 25 HD2 PRO 4 2HD PRO 4 -0.309 0.706 18.226 26 HD3 PRO 4 1HD PRO 4 -0.860 2.384 18.433 27 H GLU 5 H GLU 5 -3.090 0.200 14.201 28 HA GLU 5 HA GLU 5 -2.515 -2.580 14.316 29 HB2 GLU 5 2HB GLU 5 -4.313 -1.124 12.352 30 HB3 GLU 5 1HB GLU 5 -4.350 -2.846 12.711 31 HG2 GLU 5 2HG GLU 5 -4.984 -2.300 15.049 32 HG3 GLU 5 1HG GLU 5 -5.053 -0.598 14.595 33 H GLY 6 H GLY 6 -1.327 -0.075 12.361 34 HA2 GLY 6 2HA GLY 6 0.641 -1.587 11.097 35 HA3 GLY 6 1HA GLY 6 -0.701 -1.446 9.971 36 H PHE 7 H PHE 7 0.201 -0.091 8.471 37 HA PHE 7 HA PHE 7 0.831 2.633 9.404 38 HB2 PHE 7 2HB PHE 7 2.392 1.007 7.384 39 HB3 PHE 7 1HB PHE 7 2.573 2.748 7.574 40 HD1 PHE 7 HD1 PHE 7 3.646 3.685 9.544 41 HD2 PHE 7 HD2 PHE 7 3.220 -0.527 9.075 42 HE1 PHE 7 HE1 PHE 7 5.276 3.325 11.347 43 HE2 PHE 7 HE2 PHE 7 4.854 -0.892 10.878 44 HZ PHE 7 HZ PHE 7 5.883 1.031 12.017 45 H GLN 8 H GLN 8 0.197 4.310 8.105 46 HA GLN 8 HA GLN 8 -1.867 3.682 6.141 47 HB2 GLN 8 2HB GLN 8 -1.090 6.210 7.595 48 HB3 GLN 8 1HB GLN 8 -2.271 6.203 6.294 49 HG2 GLN 8 2HG GLN 8 -2.563 4.402 8.661 50 HG3 GLN 8 1HG GLN 8 -3.112 6.072 8.715 51 HE21 GLN 8 1HE2 GLN 8 -5.255 5.471 8.953 52 HE22 GLN 8 2HE2 GLN 8 -6.174 4.791 7.659 53 H TYR 9 H TYR 9 -1.664 3.932 4.050 54 HA TYR 9 HA TYR 9 0.499 5.634 2.959 55 HB2 TYR 9 2HB TYR 9 -0.553 3.026 1.817 56 HB3 TYR 9 1HB TYR 9 0.606 4.082 1.015 57 HD1 TYR 9 HD1 TYR 9 0.110 1.721 3.797 58 HD2 TYR 9 HD2 TYR 9 2.925 4.154 1.722 59 HE1 TYR 9 HE1 TYR 9 1.948 0.554 4.934 60 HE2 TYR 9 HE2 TYR 9 4.772 2.991 2.858 61 HH TYR 9 HH TYR 9 4.314 0.108 4.625 62 H ARG 10 H ARG 10 -0.009 6.704 0.928 63 HA ARG 10 HA ARG 10 -2.911 6.906 0.404 64 HB2 ARG 10 2HB ARG 10 -2.253 8.836 1.713 65 HB3 ARG 10 1HB ARG 10 -0.928 9.181 0.614 66 HG2 ARG 10 2HG ARG 10 -2.444 9.801 -1.137 67 HG3 ARG 10 1HG ARG 10 -3.832 9.247 -0.195 68 HD2 ARG 10 2HD ARG 10 -1.986 11.505 0.600 69 HD3 ARG 10 1HD ARG 10 -3.563 11.711 -0.163 70 HE ARG 10 HE ARG 10 -4.234 10.285 1.970 71 HH11 ARG 10 1HH1 ARG 10 -2.183 13.046 1.723 72 HH12 ARG 10 2HH1 ARG 10 -2.537 13.580 3.329 73 HH21 ARG 10 1HH2 ARG 10 -4.651 10.974 4.037 74 HH22 ARG 10 2HH2 ARG 10 -3.886 12.405 4.629 75 H ALA 11 H ALA 11 -3.404 6.398 -1.616 76 HA ALA 11 HA ALA 11 -1.441 6.117 -3.682 77 HB1 ALA 11 3HB ALA 11 -3.401 4.657 -3.579 78 HB2 ALA 11 1HB ALA 11 -3.338 5.512 -5.122 79 HB3 ALA 11 2HB ALA 11 -4.460 6.038 -3.866 80 H LEU 12 H LEU 12 -0.717 7.627 -5.073 81 HA LEU 12 HA LEU 12 -1.959 10.281 -5.004 82 HB2 LEU 12 2HB LEU 12 0.684 9.374 -6.157 83 HB3 LEU 12 1HB LEU 12 0.133 11.037 -6.072 84 HG LEU 12 HG LEU 12 0.744 9.251 -3.706 85 HD11 LEU 12 1HD1 LEU 12 2.616 10.773 -3.315 86 HD12 LEU 12 2HD1 LEU 12 2.214 11.657 -4.787 87 HD13 LEU 12 3HD1 LEU 12 2.753 9.980 -4.884 88 HD21 LEU 12 3HD2 LEU 12 -0.163 12.132 -3.798 89 HD22 LEU 12 1HD2 LEU 12 0.420 11.297 -2.357 90 HD23 LEU 12 2HD2 LEU 12 -1.062 10.762 -3.146 91 H TYR 13 H TYR 13 -1.698 7.589 -7.156 92 HA TYR 13 HA TYR 13 -2.868 9.205 -9.330 93 HB2 TYR 13 2HB TYR 13 -0.624 7.188 -9.596 94 HB3 TYR 13 1HB TYR 13 -1.541 7.811 -10.964 95 HD1 TYR 13 HD1 TYR 13 -1.331 10.169 -11.633 96 HD2 TYR 13 HD2 TYR 13 1.047 8.542 -8.498 97 HE1 TYR 13 HE1 TYR 13 0.176 12.099 -11.783 98 HE2 TYR 13 HE2 TYR 13 2.564 10.474 -8.645 99 HH TYR 13 HH TYR 13 3.214 12.197 -10.180 100 HA PRO 14 HA PRO 14 -5.826 5.855 -9.640 101 HB2 PRO 14 2HB PRO 14 -6.722 6.275 -12.177 102 HB3 PRO 14 1HB PRO 14 -7.185 7.298 -10.811 103 HG2 PRO 14 2HG PRO 14 -5.108 7.777 -12.920 104 HG3 PRO 14 1HG PRO 14 -6.283 8.911 -12.227 105 HD2 PRO 14 2HD PRO 14 -3.674 8.835 -11.460 106 HD3 PRO 14 1HD PRO 14 -4.986 9.313 -10.365 107 H PHE 15 H PHE 15 -5.251 3.779 -9.866 108 HA PHE 15 HA PHE 15 -3.807 2.918 -12.281 109 HB2 PHE 15 2HB PHE 15 -2.133 3.329 -10.531 110 HB3 PHE 15 1HB PHE 15 -3.002 2.271 -9.429 111 HD1 PHE 15 HD1 PHE 15 -1.390 2.223 -12.798 112 HD2 PHE 15 HD2 PHE 15 -2.318 0.066 -9.241 113 HE1 PHE 15 HE1 PHE 15 -0.059 0.318 -13.605 114 HE2 PHE 15 HE2 PHE 15 -0.990 -1.839 -10.048 115 HZ PHE 15 HZ PHE 15 0.141 -1.715 -12.231 116 H ARG 16 H ARG 16 -4.892 1.299 -13.201 117 HA ARG 16 HA ARG 16 -6.244 -0.691 -11.479 118 HB2 ARG 16 2HB ARG 16 -7.852 0.751 -12.737 119 HB3 ARG 16 1HB ARG 16 -7.135 0.185 -14.240 120 HG2 ARG 16 2HG ARG 16 -7.737 -2.174 -13.437 121 HG3 ARG 16 1HG ARG 16 -8.744 -1.373 -12.231 122 HD2 ARG 16 2HD ARG 16 -8.980 -1.139 -15.232 123 HD3 ARG 16 1HD ARG 16 -10.085 -1.988 -14.153 124 HE ARG 16 HE ARG 16 -9.690 0.934 -14.022 125 HH11 ARG 16 1HH1 ARG 16 -11.748 -1.830 -14.134 126 HH12 ARG 16 2HH1 ARG 16 -13.193 -0.890 -14.027 127 HH21 ARG 16 1HH2 ARG 16 -11.528 2.125 -13.887 128 HH22 ARG 16 2HH2 ARG 16 -13.071 1.342 -13.886 129 H ARG 17 H ARG 17 -6.203 -2.864 -12.194 130 HA ARG 17 HA ARG 17 -4.470 -3.490 -14.489 131 HB2 ARG 17 2HB ARG 17 -4.239 -4.548 -11.676 132 HB3 ARG 17 1HB ARG 17 -3.602 -5.448 -13.048 133 HG2 ARG 17 2HG ARG 17 -2.821 -2.581 -12.660 134 HG3 ARG 17 1HG ARG 17 -2.053 -3.839 -11.696 135 HD2 ARG 17 2HD ARG 17 -2.164 -3.814 -14.716 136 HD3 ARG 17 1HD ARG 17 -0.791 -3.265 -13.753 137 HE ARG 17 HE ARG 17 -1.270 -5.812 -12.877 138 HH11 ARG 17 1HH1 ARG 17 -0.527 -4.361 -15.914 139 HH12 ARG 17 2HH1 ARG 17 0.271 -5.770 -16.515 140 HH21 ARG 17 1HH2 ARG 17 -0.258 -7.632 -13.683 141 HH22 ARG 17 2HH2 ARG 17 0.421 -7.585 -15.273 142 H GLU 18 H GLU 18 -5.034 -5.327 -15.649 143 HA GLU 18 HA GLU 18 -7.796 -6.016 -15.510 144 HB2 GLU 18 2HB GLU 18 -6.217 -5.860 -17.575 145 HB3 GLU 18 1HB GLU 18 -5.787 -7.516 -17.176 146 HG2 GLU 18 2HG GLU 18 -7.497 -7.496 -18.875 147 HG3 GLU 18 1HG GLU 18 -8.152 -8.164 -17.379 148 H ARG 19 H ARG 19 -5.045 -7.321 -13.987 149 HA ARG 19 HA ARG 19 -6.419 -9.876 -13.426 150 HB2 ARG 19 2HB ARG 19 -3.473 -9.212 -13.151 151 HB3 ARG 19 1HB ARG 19 -4.204 -10.759 -12.766 152 HG2 ARG 19 2HG ARG 19 -3.156 -11.037 -14.852 153 HG3 ARG 19 1HG ARG 19 -4.880 -10.908 -15.203 154 HD2 ARG 19 2HD ARG 19 -4.656 -8.730 -16.053 155 HD3 ARG 19 1HD ARG 19 -3.076 -8.507 -15.305 156 HE ARG 19 HE ARG 19 -2.120 -9.889 -16.982 157 HH11 ARG 19 1HH1 ARG 19 -5.475 -9.289 -17.525 158 HH12 ARG 19 2HH1 ARG 19 -5.363 -9.586 -19.221 159 HH21 ARG 19 1HH2 ARG 19 -1.998 -10.252 -19.157 160 HH22 ARG 19 2HH2 ARG 19 -3.412 -10.092 -20.138 161 HA PRO 20 HA PRO 20 -6.800 -8.722 -9.116 162 HB2 PRO 20 2HB PRO 20 -6.533 -11.115 -7.862 163 HB3 PRO 20 1HB PRO 20 -7.959 -10.695 -8.819 164 HG2 PRO 20 2HG PRO 20 -5.562 -12.322 -9.613 165 HG3 PRO 20 1HG PRO 20 -7.281 -12.673 -9.874 166 HD2 PRO 20 2HD PRO 20 -5.721 -11.631 -11.817 167 HD3 PRO 20 1HD PRO 20 -7.438 -11.206 -11.662 168 H GLU 21 H GLU 21 -3.889 -9.479 -10.444 169 HA GLU 21 HA GLU 21 -2.102 -9.974 -8.378 170 HB2 GLU 21 2HB GLU 21 -1.658 -8.125 -10.734 171 HB3 GLU 21 1HB GLU 21 -0.408 -8.918 -9.784 172 HG2 GLU 21 2HG GLU 21 -1.076 -11.077 -10.606 173 HG3 GLU 21 1HG GLU 21 -2.463 -10.374 -11.439 174 H ASP 22 H ASP 22 -3.186 -6.836 -9.626 175 HA ASP 22 HA ASP 22 -2.018 -5.471 -7.300 176 HB2 ASP 22 2HB ASP 22 -3.089 -4.281 -9.876 177 HB3 ASP 22 1HB ASP 22 -2.153 -3.448 -8.637 178 H LEU 23 H LEU 23 -3.435 -3.238 -7.038 179 HA LEU 23 HA LEU 23 -6.275 -3.979 -6.732 180 HB2 LEU 23 2HB LEU 23 -5.017 -4.220 -4.587 181 HB3 LEU 23 1HB LEU 23 -4.599 -2.520 -4.679 182 HG LEU 23 HG LEU 23 -6.970 -1.907 -4.464 183 HD11 LEU 23 1HD1 LEU 23 -8.641 -3.631 -3.905 184 HD12 LEU 23 2HD1 LEU 23 -7.445 -4.883 -4.248 185 HD13 LEU 23 3HD1 LEU 23 -8.003 -3.817 -5.539 186 HD21 LEU 23 3HD2 LEU 23 -6.000 -3.822 -2.334 187 HD22 LEU 23 1HD2 LEU 23 -7.287 -2.632 -2.132 188 HD23 LEU 23 2HD2 LEU 23 -5.636 -2.099 -2.441 189 H GLU 24 H GLU 24 -7.760 -2.259 -6.970 190 HA GLU 24 HA GLU 24 -6.971 -0.242 -8.784 191 HB2 GLU 24 2HB GLU 24 -9.521 -0.420 -7.163 192 HB3 GLU 24 1HB GLU 24 -9.266 0.622 -8.556 193 HG2 GLU 24 2HG GLU 24 -8.895 -1.422 -9.934 194 HG3 GLU 24 1HG GLU 24 -9.339 -2.390 -8.528 195 H LEU 25 H LEU 25 -5.793 1.486 -8.318 196 HA LEU 25 HA LEU 25 -6.072 2.801 -5.698 197 HB2 LEU 25 2HB LEU 25 -3.924 3.167 -7.798 198 HB3 LEU 25 1HB LEU 25 -3.924 3.846 -6.181 199 HG LEU 25 HG LEU 25 -3.688 0.919 -6.898 200 HD11 LEU 25 1HD1 LEU 25 -1.458 1.087 -5.936 201 HD12 LEU 25 2HD1 LEU 25 -1.706 2.807 -5.631 202 HD13 LEU 25 3HD1 LEU 25 -1.647 2.203 -7.288 203 HD21 LEU 25 3HD2 LEU 25 -3.800 2.240 -4.188 204 HD22 LEU 25 1HD2 LEU 25 -3.373 0.553 -4.481 205 HD23 LEU 25 2HD2 LEU 25 -4.990 1.133 -4.875 206 H LEU 26 H LEU 26 -6.725 4.907 -5.507 207 HA LEU 26 HA LEU 26 -7.329 6.412 -7.978 208 HB2 LEU 26 2HB LEU 26 -8.981 6.017 -5.501 209 HB3 LEU 26 1HB LEU 26 -9.145 7.505 -6.409 210 HG LEU 26 HG LEU 26 -10.894 5.960 -7.049 211 HD11 LEU 26 1HD1 LEU 26 -10.561 5.901 -9.464 212 HD12 LEU 26 2HD1 LEU 26 -8.837 6.207 -9.246 213 HD13 LEU 26 3HD1 LEU 26 -10.020 7.435 -8.785 214 HD21 LEU 26 3HD2 LEU 26 -10.464 3.814 -8.080 215 HD22 LEU 26 1HD2 LEU 26 -9.737 3.859 -6.474 216 HD23 LEU 26 2HD2 LEU 26 -8.725 4.043 -7.906 217 HA PRO 27 HA PRO 27 -4.754 9.677 -6.524 218 HB2 PRO 27 2HB PRO 27 -6.189 11.915 -7.275 219 HB3 PRO 27 1HB PRO 27 -5.214 10.937 -8.378 220 HG2 PRO 27 2HG PRO 27 -8.168 10.855 -7.882 221 HG3 PRO 27 1HG PRO 27 -7.288 10.774 -9.421 222 HD2 PRO 27 2HD PRO 27 -8.281 8.566 -8.265 223 HD3 PRO 27 1HD PRO 27 -6.726 8.534 -9.122 224 H GLY 28 H GLY 28 -4.477 10.097 -4.431 225 HA2 GLY 28 2HA GLY 28 -4.774 11.083 -2.369 226 HA3 GLY 28 1HA GLY 28 -6.232 11.842 -2.986 227 H ASP 29 H ASP 29 -5.770 8.353 -3.080 228 HA ASP 29 HA ASP 29 -8.020 8.069 -1.213 229 HB2 ASP 29 2HB ASP 29 -7.950 6.928 -3.519 230 HB3 ASP 29 1HB ASP 29 -6.774 5.826 -2.806 231 H VAL 30 H VAL 30 -7.944 6.286 0.403 232 HA VAL 30 HA VAL 30 -5.329 6.375 1.761 233 HB VAL 30 HB VAL 30 -8.044 5.752 2.944 234 HG11 VAL 30 1HG1 VAL 30 -6.214 4.791 4.237 235 HG12 VAL 30 2HG1 VAL 30 -6.943 6.138 5.108 236 HG13 VAL 30 3HG1 VAL 30 -5.401 6.357 4.283 237 HG21 VAL 30 3HG2 VAL 30 -7.975 8.019 3.875 238 HG22 VAL 30 1HG2 VAL 30 -7.983 8.039 2.111 239 HG23 VAL 30 2HG2 VAL 30 -6.482 8.338 2.990 240 H LEU 31 H LEU 31 -4.197 4.578 2.210 241 HA LEU 31 HA LEU 31 -5.467 1.939 1.815 242 HB2 LEU 31 2HB LEU 31 -2.637 2.772 1.147 243 HB3 LEU 31 1HB LEU 31 -3.205 1.115 1.128 244 HG LEU 31 HG LEU 31 -4.909 1.875 -0.628 245 HD11 LEU 31 1HD1 LEU 31 -3.038 4.238 -0.787 246 HD12 LEU 31 2HD1 LEU 31 -4.724 4.281 -0.272 247 HD13 LEU 31 3HD1 LEU 31 -4.324 3.848 -1.932 248 HD21 LEU 31 3HD2 LEU 31 -3.292 1.665 -2.439 249 HD22 LEU 31 1HD2 LEU 31 -2.958 0.510 -1.151 250 HD23 LEU 31 2HD2 LEU 31 -1.971 1.965 -1.310 251 H VAL 32 H VAL 32 -5.694 0.990 3.745 252 HA VAL 32 HA VAL 32 -3.811 1.580 5.915 253 HB VAL 32 HB VAL 32 -6.341 -0.071 6.084 254 HG11 VAL 32 1HG1 VAL 32 -4.788 -0.380 7.939 255 HG12 VAL 32 2HG1 VAL 32 -6.230 0.481 8.474 256 HG13 VAL 32 3HG1 VAL 32 -4.728 1.366 8.199 257 HG21 VAL 32 3HG2 VAL 32 -6.918 2.143 5.236 258 HG22 VAL 32 1HG2 VAL 32 -6.021 2.900 6.554 259 HG23 VAL 32 2HG2 VAL 32 -7.470 1.955 6.900 260 H VAL 33 H VAL 33 -2.025 0.307 5.862 261 HA VAL 33 HA VAL 33 -2.290 -2.541 5.153 262 HB VAL 33 HB VAL 33 0.219 -0.864 5.434 263 HG11 VAL 33 1HG1 VAL 33 0.645 -3.230 5.856 264 HG12 VAL 33 2HG1 VAL 33 1.343 -2.746 4.311 265 HG13 VAL 33 3HG1 VAL 33 -0.163 -3.665 4.350 266 HG21 VAL 33 3HG2 VAL 33 -1.166 -0.122 3.562 267 HG22 VAL 33 1HG2 VAL 33 -1.248 -1.775 2.951 268 HG23 VAL 33 2HG2 VAL 33 0.296 -0.921 2.983 269 H SER 34 H SER 34 -1.992 -4.139 6.626 270 HA SER 34 HA SER 34 -1.763 -3.505 9.413 271 HB2 SER 34 2HB SER 34 -3.141 -5.380 8.801 272 HB3 SER 34 1HB SER 34 -1.806 -6.155 7.950 273 HG SER 34 HG SER 34 -2.487 -6.430 10.493 274 H ARG 35 H ARG 35 -0.111 -3.863 10.837 275 HA ARG 35 HA ARG 35 2.563 -3.798 9.887 276 HB2 ARG 35 2HB ARG 35 3.176 -4.047 12.300 277 HB3 ARG 35 1HB ARG 35 2.030 -2.749 11.988 278 HG2 ARG 35 2HG ARG 35 0.194 -4.254 12.706 279 HG3 ARG 35 1HG ARG 35 1.400 -5.476 13.115 280 HD2 ARG 35 2HD ARG 35 2.396 -3.974 14.753 281 HD3 ARG 35 1HD ARG 35 1.257 -2.703 14.310 282 HE ARG 35 HE ARG 35 -0.379 -4.705 15.050 283 HH11 ARG 35 1HH1 ARG 35 2.336 -3.232 16.581 284 HH12 ARG 35 2HH1 ARG 35 1.776 -3.593 18.176 285 HH21 ARG 35 1HH2 ARG 35 -1.109 -5.126 17.097 286 HH22 ARG 35 2HH2 ARG 35 -0.175 -4.626 18.466 287 H ALA 36 H ALA 36 0.484 -6.405 11.013 288 HA ALA 36 HA ALA 36 2.435 -8.423 11.309 289 HB1 ALA 36 3HB ALA 36 -0.462 -8.720 10.515 290 HB2 ALA 36 1HB ALA 36 0.145 -8.619 12.168 291 HB3 ALA 36 2HB ALA 36 0.579 -9.993 11.151 292 H ALA 37 H ALA 37 0.753 -7.183 8.489 293 HA ALA 37 HA ALA 37 1.542 -9.215 6.657 294 HB1 ALA 37 3HB ALA 37 0.842 -7.643 4.917 295 HB2 ALA 37 1HB ALA 37 0.757 -6.347 6.111 296 HB3 ALA 37 2HB ALA 37 -0.348 -7.719 6.217 297 H LEU 38 H LEU 38 2.882 -6.006 7.433 298 HA LEU 38 HA LEU 38 4.992 -5.984 5.594 299 HB2 LEU 38 2HB LEU 38 4.876 -4.750 8.350 300 HB3 LEU 38 1HB LEU 38 6.066 -4.352 7.124 301 HG LEU 38 HG LEU 38 3.085 -3.862 6.929 302 HD11 LEU 38 1HD1 LEU 38 5.391 -1.948 7.285 303 HD12 LEU 38 2HD1 LEU 38 4.160 -2.344 8.485 304 HD13 LEU 38 3HD1 LEU 38 3.708 -1.491 7.010 305 HD21 LEU 38 3HD2 LEU 38 5.302 -3.179 4.992 306 HD22 LEU 38 1HD2 LEU 38 3.621 -2.657 4.858 307 HD23 LEU 38 2HD2 LEU 38 4.022 -4.369 4.741 308 H GLN 39 H GLN 39 4.871 -7.310 8.890 309 HA GLN 39 HA GLN 39 7.540 -8.145 9.090 310 HB2 GLN 39 2HB GLN 39 5.040 -9.371 10.273 311 HB3 GLN 39 1HB GLN 39 6.674 -9.822 10.736 312 HG2 GLN 39 2HG GLN 39 5.443 -7.088 11.047 313 HG3 GLN 39 1HG GLN 39 5.686 -8.268 12.333 314 HE21 GLN 39 1HE2 GLN 39 7.798 -8.698 13.035 315 HE22 GLN 39 2HE2 GLN 39 9.091 -7.596 12.739 316 H ALA 40 H ALA 40 4.703 -9.854 7.781 317 HA ALA 40 HA ALA 40 5.983 -12.253 7.060 318 HB1 ALA 40 3HB ALA 40 4.106 -12.600 5.530 319 HB2 ALA 40 1HB ALA 40 3.634 -10.909 5.712 320 HB3 ALA 40 2HB ALA 40 3.548 -12.004 7.093 321 H LEU 41 H LEU 41 5.600 -9.201 5.291 322 HA LEU 41 HA LEU 41 6.833 -10.013 2.865 323 HB2 LEU 41 2HB LEU 41 6.687 -7.258 4.104 324 HB3 LEU 41 1HB LEU 41 7.099 -7.600 2.436 325 HG LEU 41 HG LEU 41 4.421 -8.210 3.697 326 HD11 LEU 41 1HD1 LEU 41 3.604 -6.312 2.366 327 HD12 LEU 41 2HD1 LEU 41 5.261 -5.943 1.890 328 HD13 LEU 41 3HD1 LEU 41 4.779 -5.817 3.582 329 HD21 LEU 41 3HD2 LEU 41 4.963 -9.699 1.838 330 HD22 LEU 41 1HD2 LEU 41 5.331 -8.306 0.815 331 HD23 LEU 41 2HD2 LEU 41 3.685 -8.574 1.387 332 H GLY 42 H GLY 42 8.117 -8.977 5.940 333 HA2 GLY 42 2HA GLY 42 10.327 -9.192 6.686 334 HA3 GLY 42 1HA GLY 42 10.846 -9.469 5.032 335 H VAL 43 H VAL 43 8.861 -6.743 6.026 336 HA VAL 43 HA VAL 43 10.677 -4.869 4.839 337 HB VAL 43 HB VAL 43 8.252 -4.324 6.572 338 HG11 VAL 43 1HG1 VAL 43 9.755 -2.514 4.676 339 HG12 VAL 43 2HG1 VAL 43 9.713 -2.384 6.434 340 HG13 VAL 43 3HG1 VAL 43 8.246 -2.108 5.495 341 HG21 VAL 43 3HG2 VAL 43 8.487 -4.505 3.564 342 HG22 VAL 43 1HG2 VAL 43 7.048 -3.994 4.448 343 HG23 VAL 43 2HG2 VAL 43 7.647 -5.645 4.617 344 H ALA 44 H ALA 44 12.376 -3.906 5.761 345 HA ALA 44 HA ALA 44 12.860 -4.217 8.617 346 HB1 ALA 44 3HB ALA 44 14.622 -3.062 6.451 347 HB2 ALA 44 1HB ALA 44 14.669 -4.720 7.052 348 HB3 ALA 44 2HB ALA 44 15.110 -3.383 8.115 349 H GLU 45 H GLU 45 13.259 -2.500 10.057 350 HA GLU 45 HA GLU 45 11.670 -0.273 10.033 351 HB2 GLU 45 2HB GLU 45 12.897 -1.035 12.015 352 HB3 GLU 45 1HB GLU 45 14.414 -0.514 11.293 353 HG2 GLU 45 2HG GLU 45 13.583 1.817 11.306 354 HG3 GLU 45 1HG GLU 45 12.119 1.265 12.119 355 H GLY 46 H GLY 46 11.627 1.638 9.012 356 HA2 GLY 46 2HA GLY 46 12.677 3.557 7.992 357 HA3 GLY 46 1HA GLY 46 14.033 2.536 7.536 358 H GLY 47 H GLY 47 12.672 0.369 6.380 359 HA2 GLY 47 2HA GLY 47 12.106 1.241 3.769 360 HA3 GLY 47 1HA GLY 47 11.659 -0.327 4.427 361 H GLU 48 H GLU 48 10.050 0.901 6.547 362 HA GLU 48 HA GLU 48 7.485 1.064 5.546 363 HB2 GLU 48 2HB GLU 48 6.925 2.158 7.679 364 HB3 GLU 48 1HB GLU 48 8.082 0.856 7.936 365 HG2 GLU 48 2HG GLU 48 9.880 2.693 7.788 366 HG3 GLU 48 1HG GLU 48 8.550 3.820 8.014 367 H ARG 49 H ARG 49 9.939 3.552 5.727 368 HA ARG 49 HA ARG 49 8.110 5.705 5.010 369 HB2 ARG 49 2HB ARG 49 11.103 5.755 5.483 370 HB3 ARG 49 1HB ARG 49 10.050 7.160 5.350 371 HG2 ARG 49 2HG ARG 49 9.008 6.727 7.406 372 HG3 ARG 49 1HG ARG 49 9.597 5.067 7.453 373 HD2 ARG 49 2HD ARG 49 10.840 6.336 9.037 374 HD3 ARG 49 1HD ARG 49 11.910 5.959 7.687 375 HE ARG 49 HE ARG 49 11.044 8.391 7.007 376 HH11 ARG 49 1HH1 ARG 49 12.206 7.172 10.001 377 HH12 ARG 49 2HH1 ARG 49 12.859 8.693 10.496 378 HH21 ARG 49 1HH2 ARG 49 11.878 10.341 7.651 379 HH22 ARG 49 2HH2 ARG 49 12.664 10.467 9.190 380 H CYS 50 H CYS 50 9.725 3.382 3.317 381 HA CYS 50 HA CYS 50 9.772 5.020 0.872 382 HB2 CYS 50 2HB CYS 50 11.973 3.091 1.671 383 HB3 CYS 50 1HB CYS 50 11.877 3.965 0.145 384 HG CYS 50 HG CYS 50 12.448 5.279 3.251 385 HA PRO 51 HA PRO 51 7.326 1.012 0.504 386 HB2 PRO 51 2HB PRO 51 5.397 2.166 -1.113 387 HB3 PRO 51 1HB PRO 51 5.298 2.058 0.648 388 HG2 PRO 51 2HG PRO 51 6.172 4.358 -1.062 389 HG3 PRO 51 1HG PRO 51 5.153 4.365 0.391 390 HD2 PRO 51 2HD PRO 51 7.736 5.080 0.495 391 HD3 PRO 51 1HD PRO 51 6.977 4.176 1.823 392 H GLN 52 H GLN 52 8.477 3.347 -1.847 393 HA GLN 52 HA GLN 52 8.162 1.828 -4.197 394 HB2 GLN 52 2HB GLN 52 10.284 3.896 -3.562 395 HB3 GLN 52 1HB GLN 52 9.863 3.320 -5.170 396 HG2 GLN 52 2HG GLN 52 7.592 4.240 -4.876 397 HG3 GLN 52 1HG GLN 52 8.075 4.868 -3.300 398 HE21 GLN 52 1HE2 GLN 52 7.697 6.993 -3.904 399 HE22 GLN 52 2HE2 GLN 52 8.726 7.841 -5.003 400 H SER 53 H SER 53 10.496 1.623 -1.628 401 HA SER 53 HA SER 53 12.398 0.038 -3.141 402 HB2 SER 53 2HB SER 53 12.279 0.721 -0.187 403 HB3 SER 53 1HB SER 53 13.598 -0.159 -0.961 404 HG SER 53 HG SER 53 13.686 2.298 -0.681 405 H VAL 54 H VAL 54 9.780 -0.550 -0.870 406 HA VAL 54 HA VAL 54 10.376 -3.334 -0.474 407 HB VAL 54 HB VAL 54 7.749 -1.896 -0.006 408 HG11 VAL 54 1HG1 VAL 54 8.801 -4.501 1.116 409 HG12 VAL 54 2HG1 VAL 54 7.514 -4.330 -0.077 410 HG13 VAL 54 3HG1 VAL 54 7.280 -3.727 1.564 411 HG21 VAL 54 3HG2 VAL 54 9.565 -0.819 1.231 412 HG22 VAL 54 1HG2 VAL 54 10.045 -2.376 1.908 413 HG23 VAL 54 2HG2 VAL 54 8.482 -1.674 2.329 414 H GLY 55 H GLY 55 8.018 -1.547 -2.464 415 HA2 GLY 55 2HA GLY 55 7.539 -2.098 -4.711 416 HA3 GLY 55 1HA GLY 55 8.108 -3.731 -4.419 417 H TRP 56 H TRP 56 6.687 -5.111 -3.026 418 HA TRP 56 HA TRP 56 3.858 -4.557 -3.689 419 HB2 TRP 56 2HB TRP 56 5.381 -7.163 -3.551 420 HB3 TRP 56 1HB TRP 56 3.624 -7.092 -3.608 421 HD1 TRP 56 HD1 TRP 56 6.713 -6.409 -5.787 422 HE1 TRP 56 HE1 TRP 56 5.963 -6.349 -8.251 423 HE3 TRP 56 HE3 TRP 56 1.654 -6.643 -5.102 424 HZ2 TRP 56 HZ2 TRP 56 3.547 -6.403 -9.709 425 HZ3 TRP 56 HZ3 TRP 56 0.192 -6.637 -7.081 426 HH2 TRP 56 HH2 TRP 56 1.122 -6.517 -9.337 427 H MET 57 H MET 57 2.708 -3.987 -1.958 428 HA MET 57 HA MET 57 3.000 -5.603 0.496 429 HB2 MET 57 2HB MET 57 2.314 -2.654 0.358 430 HB3 MET 57 1HB MET 57 2.320 -3.629 1.821 431 HG2 MET 57 2HG MET 57 4.328 -2.385 1.807 432 HG3 MET 57 1HG MET 57 4.755 -4.052 1.432 433 HE1 MET 57 3HE MET 57 4.282 -0.414 -0.003 434 HE2 MET 57 1HE MET 57 3.108 -1.374 -0.907 435 HE3 MET 57 2HE MET 57 4.516 -0.703 -1.727 436 HA PRO 58 HA PRO 58 -1.446 -6.152 -0.109 437 HB2 PRO 58 2HB PRO 58 -1.906 -7.813 1.952 438 HB3 PRO 58 1HB PRO 58 -1.038 -8.351 0.509 439 HG2 PRO 58 2HG PRO 58 0.042 -7.560 3.183 440 HG3 PRO 58 1HG PRO 58 0.548 -8.884 2.119 441 HD2 PRO 58 2HD PRO 58 1.827 -6.434 2.310 442 HD3 PRO 58 1HD PRO 58 1.946 -7.527 0.917 443 H GLY 59 H GLY 59 -2.915 -4.631 0.471 444 HA2 GLY 59 2HA GLY 59 -3.192 -3.898 3.296 445 HA3 GLY 59 1HA GLY 59 -2.792 -2.612 2.172 446 H LEU 60 H LEU 60 -4.949 -2.154 3.525 447 HA LEU 60 HA LEU 60 -7.305 -3.080 2.042 448 HB2 LEU 60 2HB LEU 60 -7.386 -3.152 4.491 449 HB3 LEU 60 1HB LEU 60 -7.036 -1.436 4.566 450 HG LEU 60 HG LEU 60 -9.198 -0.960 3.447 451 HD11 LEU 60 1HD1 LEU 60 -9.440 -3.071 2.231 452 HD12 LEU 60 2HD1 LEU 60 -10.865 -2.702 3.198 453 HD13 LEU 60 3HD1 LEU 60 -9.714 -3.918 3.755 454 HD21 LEU 60 3HD2 LEU 60 -9.035 -0.913 5.883 455 HD22 LEU 60 1HD2 LEU 60 -9.433 -2.631 5.951 456 HD23 LEU 60 2HD2 LEU 60 -10.623 -1.471 5.361 457 H ASN 61 H ASN 61 -8.092 -1.870 0.421 458 HA ASN 61 HA ASN 61 -7.275 0.932 0.155 459 HB2 ASN 61 2HB ASN 61 -7.022 -0.389 -1.837 460 HB3 ASN 61 1HB ASN 61 -8.679 -0.974 -1.727 461 HD21 ASN 61 1HD2 ASN 61 -6.699 1.848 -2.347 462 HD22 ASN 61 2HD2 ASN 61 -7.894 2.714 -3.236 463 H GLU 62 H GLU 62 -8.556 2.569 0.766 464 HA GLU 62 HA GLU 62 -11.089 2.012 1.962 465 HB2 GLU 62 2HB GLU 62 -9.512 4.537 1.538 466 HB3 GLU 62 1HB GLU 62 -11.123 4.568 2.245 467 HG2 GLU 62 2HG GLU 62 -8.767 3.028 3.332 468 HG3 GLU 62 1HG GLU 62 -9.354 4.575 3.942 469 H ARG 63 H ARG 63 -10.172 3.308 -1.179 470 HA ARG 63 HA ARG 63 -12.622 4.420 -1.957 471 HB2 ARG 63 2HB ARG 63 -10.652 4.671 -3.345 472 HB3 ARG 63 1HB ARG 63 -10.561 2.937 -3.609 473 HG2 ARG 63 2HG ARG 63 -11.417 3.955 -5.588 474 HG3 ARG 63 1HG ARG 63 -12.731 3.065 -4.827 475 HD2 ARG 63 2HD ARG 63 -12.310 6.028 -4.450 476 HD3 ARG 63 1HD ARG 63 -13.303 5.359 -5.741 477 HE ARG 63 HE ARG 63 -14.031 4.469 -3.099 478 HH11 ARG 63 1HH1 ARG 63 -14.575 6.798 -5.572 479 HH12 ARG 63 2HH1 ARG 63 -16.086 7.308 -4.901 480 HH21 ARG 63 1HH2 ARG 63 -15.962 5.118 -2.261 481 HH22 ARG 63 2HH2 ARG 63 -16.862 6.367 -3.053 482 H THR 64 H THR 64 -11.481 1.082 -2.400 483 HA THR 64 HA THR 64 -14.145 0.212 -3.250 484 HB THR 64 HB THR 64 -13.067 -1.968 -3.699 485 HG1 THR 64 HG1 THR 64 -10.536 -0.837 -3.161 486 HG21 THR 64 3HG2 THR 64 -11.551 0.388 -4.845 487 HG22 THR 64 1HG2 THR 64 -13.057 -0.280 -5.471 488 HG23 THR 64 2HG2 THR 64 -11.578 -1.240 -5.524 489 H ARG 65 H ARG 65 -12.312 0.386 -0.403 490 HA ARG 65 HA ARG 65 -12.441 -0.474 1.681 491 HB2 ARG 65 2HB ARG 65 -15.273 -1.048 0.786 492 HB3 ARG 65 1HB ARG 65 -14.712 -1.270 2.441 493 HG2 ARG 65 2HG ARG 65 -14.176 1.098 2.603 494 HG3 ARG 65 1HG ARG 65 -14.668 1.343 0.926 495 HD2 ARG 65 2HD ARG 65 -16.395 2.034 2.548 496 HD3 ARG 65 1HD ARG 65 -16.940 0.761 1.458 497 HE ARG 65 HE ARG 65 -16.704 -0.807 3.277 498 HH11 ARG 65 1HH1 ARG 65 -16.518 2.514 4.182 499 HH12 ARG 65 2HH1 ARG 65 -16.973 2.198 5.818 500 HH21 ARG 65 1HH2 ARG 65 -17.271 -1.191 5.369 501 HH22 ARG 65 2HH2 ARG 65 -17.391 0.124 6.486 502 H GLN 66 H GLN 66 -11.633 -2.209 -0.607 503 HA GLN 66 HA GLN 66 -12.011 -4.838 0.694 504 HB2 GLN 66 2HB GLN 66 -11.600 -4.190 -2.233 505 HB3 GLN 66 1HB GLN 66 -11.528 -5.819 -1.573 506 HG2 GLN 66 2HG GLN 66 -13.924 -3.989 -1.519 507 HG3 GLN 66 1HG GLN 66 -13.690 -5.363 -2.598 508 HE21 GLN 66 1HE2 GLN 66 -15.815 -4.886 -0.699 509 HE22 GLN 66 2HE2 GLN 66 -15.793 -6.219 0.401 510 H ARG 67 H ARG 67 -10.197 -6.346 0.464 511 HA ARG 67 HA ARG 67 -7.646 -4.972 0.864 512 HB2 ARG 67 2HB ARG 67 -8.406 -7.875 1.261 513 HB3 ARG 67 1HB ARG 67 -6.875 -7.147 1.727 514 HG2 ARG 67 2HG ARG 67 -7.944 -5.796 3.394 515 HG3 ARG 67 1HG ARG 67 -9.546 -6.284 2.832 516 HD2 ARG 67 2HD ARG 67 -7.463 -8.092 4.072 517 HD3 ARG 67 1HD ARG 67 -8.925 -7.495 4.859 518 HE ARG 67 HE ARG 67 -10.041 -8.731 2.847 519 HH11 ARG 67 1HH1 ARG 67 -7.328 -9.785 4.687 520 HH12 ARG 67 2HH1 ARG 67 -7.662 -11.460 4.426 521 HH21 ARG 67 1HH2 ARG 67 -10.446 -10.892 2.495 522 HH22 ARG 67 2HH2 ARG 67 -9.403 -12.080 3.195 523 H GLY 68 H GLY 68 -5.725 -5.524 -0.243 524 HA2 GLY 68 2HA GLY 68 -5.525 -7.542 -2.224 525 HA3 GLY 68 1HA GLY 68 -5.885 -6.005 -2.998 526 H ASP 69 H ASP 69 -3.652 -6.810 -3.912 527 HA ASP 69 HA ASP 69 -1.457 -5.764 -2.237 528 HB2 ASP 69 2HB ASP 69 -1.343 -7.332 -4.829 529 HB3 ASP 69 1HB ASP 69 0.048 -6.838 -3.868 530 H PHE 70 H PHE 70 -0.163 -4.035 -2.947 531 HA PHE 70 HA PHE 70 -0.897 -2.762 -5.487 532 HB2 PHE 70 2HB PHE 70 -1.103 -0.554 -4.442 533 HB3 PHE 70 1HB PHE 70 -2.291 -1.678 -3.794 534 HD1 PHE 70 HD1 PHE 70 -2.086 -2.526 -1.496 535 HD2 PHE 70 HD2 PHE 70 0.645 0.356 -3.052 536 HE1 PHE 70 HE1 PHE 70 -1.334 -2.003 0.787 537 HE2 PHE 70 HE2 PHE 70 1.397 0.875 -0.771 538 HZ PHE 70 HZ PHE 70 0.410 -0.303 1.150 539 HA PRO 71 HA PRO 71 3.511 -2.014 -5.731 540 HB2 PRO 71 2HB PRO 71 2.915 0.027 -7.755 541 HB3 PRO 71 1HB PRO 71 3.742 -1.521 -7.942 542 HG2 PRO 71 2HG PRO 71 1.277 -1.066 -8.960 543 HG3 PRO 71 1HG PRO 71 1.793 -2.665 -8.388 544 HD2 PRO 71 2HD PRO 71 0.088 -0.615 -7.004 545 HD3 PRO 71 1HD PRO 71 -0.123 -2.378 -7.100 546 H GLY 72 H GLY 72 4.548 -0.855 -4.225 547 HA2 GLY 72 2HA GLY 72 3.511 1.402 -2.926 548 HA3 GLY 72 1HA GLY 72 5.171 0.850 -2.823 549 H THR 73 H THR 73 5.129 1.298 -5.946 550 HA THR 73 HA THR 73 6.366 3.869 -5.843 551 HB THR 73 HB THR 73 7.103 2.167 -7.444 552 HG1 THR 73 HG1 THR 73 6.152 4.639 -8.487 553 HG21 THR 73 3HG2 THR 73 4.484 2.668 -8.872 554 HG22 THR 73 1HG2 THR 73 4.903 1.200 -7.983 555 HG23 THR 73 2HG2 THR 73 5.802 1.640 -9.434 556 H TYR 74 H TYR 74 3.101 3.100 -5.910 557 HA TYR 74 HA TYR 74 2.405 5.627 -7.282 558 HB2 TYR 74 2HB TYR 74 0.677 3.199 -6.739 559 HB3 TYR 74 1HB TYR 74 0.118 4.680 -7.507 560 HD1 TYR 74 HD2 TYR 74 1.232 5.369 -9.711 561 HD2 TYR 74 HD1 TYR 74 1.635 1.480 -8.024 562 HE1 TYR 74 HE2 TYR 74 1.907 4.493 -11.905 563 HE2 TYR 74 HE1 TYR 74 2.315 0.598 -10.215 564 HH TYR 74 HH TYR 74 2.136 1.132 -12.555 565 H VAL 75 H VAL 75 2.945 4.604 -4.222 566 HA VAL 75 HA VAL 75 0.804 6.307 -3.102 567 HB VAL 75 HB VAL 75 0.586 4.843 -1.170 568 HG11 VAL 75 1HG1 VAL 75 -0.501 2.917 -2.244 569 HG12 VAL 75 2HG1 VAL 75 0.283 3.331 -3.768 570 HG13 VAL 75 3HG1 VAL 75 -0.897 4.432 -3.056 571 HG21 VAL 75 3HG2 VAL 75 2.570 3.034 -2.561 572 HG22 VAL 75 1HG2 VAL 75 1.672 2.638 -1.094 573 HG23 VAL 75 2HG2 VAL 75 2.853 3.948 -1.080 574 H GLU 76 H GLU 76 1.319 7.568 -1.308 575 HA GLU 76 HA GLU 76 4.168 7.788 -0.627 576 HB2 GLU 76 2HB GLU 76 3.662 9.940 0.312 577 HB3 GLU 76 1HB GLU 76 2.881 9.846 -1.261 578 HG2 GLU 76 2HG GLU 76 0.739 9.471 -0.250 579 HG3 GLU 76 1HG GLU 76 1.465 9.323 1.348 580 H PHE 77 H PHE 77 4.656 8.247 1.734 581 HA PHE 77 HA PHE 77 3.187 6.351 3.425 582 HB2 PHE 77 2HB PHE 77 5.603 6.002 3.240 583 HB3 PHE 77 1HB PHE 77 5.902 7.642 3.803 584 HD1 PHE 77 HD2 PHE 77 3.902 4.687 4.957 585 HD2 PHE 77 HD1 PHE 77 6.663 7.772 5.972 586 HE1 PHE 77 HE2 PHE 77 3.987 3.851 7.267 587 HE2 PHE 77 HE1 PHE 77 6.745 6.939 8.285 588 HZ PHE 77 HZ PHE 77 5.407 4.976 8.934 589 H LEU 78 H LEU 78 1.796 7.072 4.919 590 HA LEU 78 HA LEU 78 1.762 9.922 5.614 591 HB2 LEU 78 2HB LEU 78 -0.225 7.748 6.298 592 HB3 LEU 78 1HB LEU 78 -0.449 9.470 6.549 593 HG LEU 78 HG LEU 78 -0.225 8.090 3.864 594 HD11 LEU 78 1HD1 LEU 78 -2.594 9.348 5.245 595 HD12 LEU 78 2HD1 LEU 78 -2.341 7.625 4.967 596 HD13 LEU 78 3HD1 LEU 78 -2.579 8.711 3.599 597 HD21 LEU 78 3HD2 LEU 78 -0.709 10.996 4.528 598 HD22 LEU 78 1HD2 LEU 78 -0.810 10.280 2.917 599 HD23 LEU 78 2HD2 LEU 78 0.734 10.322 3.767 600 H GLY 79 H GLY 79 1.804 6.761 7.260 601 HA2 GLY 79 2HA GLY 79 3.625 6.892 9.116 602 HA3 GLY 79 1HA GLY 79 2.537 8.097 9.784 603 HA PRO 80 HA PRO 80 1.328 3.813 11.346 604 HB2 PRO 80 2HB PRO 80 1.797 4.237 13.988 605 HB3 PRO 80 1HB PRO 80 3.041 3.647 12.879 606 HG2 PRO 80 2HG PRO 80 2.581 6.431 13.897 607 HG3 PRO 80 1HG PRO 80 4.107 5.544 13.713 608 HD2 PRO 80 2HD PRO 80 3.249 7.398 11.908 609 HD3 PRO 80 1HD PRO 80 4.247 6.001 11.457 610 H LEU 81 H LEU 81 -0.724 3.400 12.120 611 HA LEU 81 HA LEU 81 -2.569 5.559 12.253 612 HB2 LEU 81 2HB LEU 81 -2.913 2.636 12.938 613 HB3 LEU 81 1HB LEU 81 -4.227 3.795 12.921 614 HG LEU 81 HG LEU 81 -3.632 4.214 10.471 615 HD11 LEU 81 1HD1 LEU 81 -2.501 2.382 9.306 616 HD12 LEU 81 2HD1 LEU 81 -2.127 1.629 10.857 617 HD13 LEU 81 3HD1 LEU 81 -1.430 3.196 10.444 618 HD21 LEU 81 3HD2 LEU 81 -4.904 2.271 9.717 619 HD22 LEU 81 1HD2 LEU 81 -5.617 3.005 11.152 620 HD23 LEU 81 2HD2 LEU 81 -4.686 1.513 11.294 621 H GLU 82 H GLU 82 -3.424 6.647 13.942 622 HA GLU 82 HA GLU 82 -2.410 6.008 16.614 623 HB2 GLU 82 2HB GLU 82 -2.169 8.325 15.672 624 HB3 GLU 82 1HB GLU 82 -3.920 8.481 15.738 625 HG2 GLU 82 2HG GLU 82 -2.855 9.554 17.651 626 HG3 GLU 82 1HG GLU 82 -3.876 8.208 18.159 Start of MODEL 19 1 H1 MET 1 1H MET 1 -11.820 1.221 20.990 2 H2 MET 1 2H MET 1 -10.851 2.515 21.481 3 H3 MET 1 3H MET 1 -10.146 1.018 21.134 4 HA MET 1 HA MET 1 -11.548 2.753 19.180 5 HB2 MET 1 2HB MET 1 -9.435 3.745 19.893 6 HB3 MET 1 1HB MET 1 -8.591 2.231 19.597 7 HG2 MET 1 2HG MET 1 -8.196 3.859 17.820 8 HG3 MET 1 1HG MET 1 -9.025 2.424 17.216 9 HE1 MET 1 3HE MET 1 -8.813 5.220 15.648 10 HE2 MET 1 1HE MET 1 -10.448 5.355 15.004 11 HE3 MET 1 2HE MET 1 -9.619 3.797 14.987 12 H ALA 2 H ALA 2 -12.391 1.572 17.575 13 HA ALA 2 HA ALA 2 -11.326 -1.125 17.062 14 HB1 ALA 2 3HB ALA 2 -13.705 -0.980 17.613 15 HB2 ALA 2 1HB ALA 2 -13.463 -1.584 15.973 16 HB3 ALA 2 2HB ALA 2 -13.965 0.088 16.234 17 H GLY 3 H GLY 3 -10.728 -1.818 15.018 18 HA2 GLY 3 2HA GLY 3 -11.109 -0.874 12.543 19 HA3 GLY 3 1HA GLY 3 -9.948 0.291 13.159 20 HA PRO 4 HA PRO 4 -7.242 -3.052 11.610 21 HB2 PRO 4 2HB PRO 4 -5.610 -1.549 10.124 22 HB3 PRO 4 1HB PRO 4 -7.238 -1.953 9.566 23 HG2 PRO 4 2HG PRO 4 -6.204 0.603 10.702 24 HG3 PRO 4 1HG PRO 4 -7.417 0.346 9.437 25 HD2 PRO 4 2HD PRO 4 -7.924 0.886 12.163 26 HD3 PRO 4 1HD PRO 4 -9.107 0.332 10.962 27 H GLU 5 H GLU 5 -4.627 -2.934 11.508 28 HA GLU 5 HA GLU 5 -3.744 -1.847 14.123 29 HB2 GLU 5 2HB GLU 5 -2.210 -3.769 14.261 30 HB3 GLU 5 1HB GLU 5 -3.888 -4.284 14.147 31 HG2 GLU 5 2HG GLU 5 -3.628 -4.890 11.851 32 HG3 GLU 5 1HG GLU 5 -2.025 -4.158 11.783 33 H GLY 6 H GLY 6 -3.027 -2.066 10.733 34 HA2 GLY 6 2HA GLY 6 -0.180 -1.706 11.012 35 HA3 GLY 6 1HA GLY 6 -1.085 -1.796 9.517 36 H PHE 7 H PHE 7 -0.003 -0.131 8.545 37 HA PHE 7 HA PHE 7 -0.199 2.547 9.782 38 HB2 PHE 7 2HB PHE 7 1.828 1.481 7.793 39 HB3 PHE 7 1HB PHE 7 1.771 3.139 8.384 40 HD1 PHE 7 HD2 PHE 7 2.137 -0.382 9.550 41 HD2 PHE 7 HD1 PHE 7 2.918 3.734 10.321 42 HE1 PHE 7 HE2 PHE 7 3.546 -1.011 11.463 43 HE2 PHE 7 HE1 PHE 7 4.330 3.109 12.236 44 HZ PHE 7 HZ PHE 7 4.645 0.735 12.810 45 H GLN 8 H GLN 8 -0.316 4.368 8.194 46 HA GLN 8 HA GLN 8 -2.223 3.670 6.056 47 HB2 GLN 8 2HB GLN 8 -2.089 5.888 8.021 48 HB3 GLN 8 1HB GLN 8 -2.629 6.329 6.404 49 HG2 GLN 8 2HG GLN 8 -4.364 4.571 6.548 50 HG3 GLN 8 1HG GLN 8 -3.850 4.240 8.201 51 HE21 GLN 8 1HE2 GLN 8 -6.414 5.246 7.068 52 HE22 GLN 8 2HE2 GLN 8 -6.735 6.707 7.932 53 H TYR 9 H TYR 9 -1.695 3.977 4.037 54 HA TYR 9 HA TYR 9 0.452 5.881 3.321 55 HB2 TYR 9 2HB TYR 9 -0.367 3.400 1.781 56 HB3 TYR 9 1HB TYR 9 1.007 4.448 1.448 57 HD1 TYR 9 HD1 TYR 9 -0.347 1.924 3.780 58 HD2 TYR 9 HD2 TYR 9 3.090 4.166 2.637 59 HE1 TYR 9 HE1 TYR 9 1.054 0.485 5.188 60 HE2 TYR 9 HE2 TYR 9 4.501 2.722 4.047 61 HH TYR 9 HH TYR 9 4.171 1.222 6.098 62 H ARG 10 H ARG 10 0.181 6.626 0.920 63 HA ARG 10 HA ARG 10 -2.670 7.025 0.276 64 HB2 ARG 10 2HB ARG 10 -1.964 8.958 1.577 65 HB3 ARG 10 1HB ARG 10 -0.591 9.209 0.514 66 HG2 ARG 10 2HG ARG 10 -2.067 9.784 -1.319 67 HG3 ARG 10 1HG ARG 10 -3.479 9.429 -0.321 68 HD2 ARG 10 2HD ARG 10 -2.855 11.237 1.212 69 HD3 ARG 10 1HD ARG 10 -1.426 11.578 0.235 70 HE ARG 10 HE ARG 10 -2.842 12.391 -1.493 71 HH11 ARG 10 1HH1 ARG 10 -4.483 11.725 1.473 72 HH12 ARG 10 2HH1 ARG 10 -5.877 12.645 1.029 73 HH21 ARG 10 1HH2 ARG 10 -4.621 13.604 -2.017 74 HH22 ARG 10 2HH2 ARG 10 -5.947 13.707 -0.912 75 H ALA 11 H ALA 11 -3.092 6.602 -1.794 76 HA ALA 11 HA ALA 11 -0.979 6.185 -3.711 77 HB1 ALA 11 3HB ALA 11 -2.933 4.705 -3.627 78 HB2 ALA 11 1HB ALA 11 -2.753 5.458 -5.212 79 HB3 ALA 11 2HB ALA 11 -3.973 6.055 -4.085 80 H LEU 12 H LEU 12 -0.280 7.560 -5.246 81 HA LEU 12 HA LEU 12 -1.249 10.280 -5.193 82 HB2 LEU 12 2HB LEU 12 0.930 9.050 -6.885 83 HB3 LEU 12 1HB LEU 12 0.644 10.766 -6.653 84 HG LEU 12 HG LEU 12 1.565 8.797 -4.547 85 HD11 LEU 12 1HD1 LEU 12 3.618 10.140 -4.544 86 HD12 LEU 12 2HD1 LEU 12 2.974 11.125 -5.858 87 HD13 LEU 12 3HD1 LEU 12 3.315 9.414 -6.122 88 HD21 LEU 12 3HD2 LEU 12 0.082 10.427 -3.535 89 HD22 LEU 12 1HD2 LEU 12 0.964 11.748 -4.303 90 HD23 LEU 12 2HD2 LEU 12 1.749 10.762 -3.069 91 H TYR 13 H TYR 13 -0.998 7.755 -7.716 92 HA TYR 13 HA TYR 13 -2.930 9.289 -9.353 93 HB2 TYR 13 2HB TYR 13 -0.662 7.599 -10.444 94 HB3 TYR 13 1HB TYR 13 -1.761 8.613 -11.368 95 HD1 TYR 13 HD1 TYR 13 -1.696 11.171 -10.832 96 HD2 TYR 13 HD2 TYR 13 1.399 8.442 -9.777 97 HE1 TYR 13 HE1 TYR 13 -0.109 13.041 -10.659 98 HE2 TYR 13 HE2 TYR 13 2.989 10.306 -9.597 99 HH TYR 13 HH TYR 13 2.074 13.503 -9.430 100 HA PRO 14 HA PRO 14 -5.202 5.441 -9.765 101 HB2 PRO 14 2HB PRO 14 -6.219 5.582 -12.271 102 HB3 PRO 14 1HB PRO 14 -6.791 6.610 -10.950 103 HG2 PRO 14 2HG PRO 14 -4.851 7.253 -13.147 104 HG3 PRO 14 1HG PRO 14 -6.185 8.232 -12.510 105 HD2 PRO 14 2HD PRO 14 -3.588 8.623 -11.789 106 HD3 PRO 14 1HD PRO 14 -4.951 8.966 -10.704 107 H PHE 15 H PHE 15 -4.253 3.496 -9.886 108 HA PHE 15 HA PHE 15 -2.803 2.749 -12.354 109 HB2 PHE 15 2HB PHE 15 -2.086 1.987 -9.508 110 HB3 PHE 15 1HB PHE 15 -1.309 1.336 -10.948 111 HD1 PHE 15 HD2 PHE 15 0.047 2.829 -12.402 112 HD2 PHE 15 HD1 PHE 15 -1.500 4.128 -8.652 113 HE1 PHE 15 HE2 PHE 15 1.617 4.719 -12.411 114 HE2 PHE 15 HE1 PHE 15 0.072 6.021 -8.660 115 HZ PHE 15 HZ PHE 15 1.632 6.318 -10.540 116 H ARG 16 H ARG 16 -3.117 0.678 -13.141 117 HA ARG 16 HA ARG 16 -5.148 -0.977 -11.769 118 HB2 ARG 16 2HB ARG 16 -4.965 -0.318 -14.708 119 HB3 ARG 16 1HB ARG 16 -5.914 -1.659 -14.087 120 HG2 ARG 16 2HG ARG 16 -6.862 0.397 -12.574 121 HG3 ARG 16 1HG ARG 16 -6.484 1.223 -14.089 122 HD2 ARG 16 2HD ARG 16 -8.767 0.434 -14.169 123 HD3 ARG 16 1HD ARG 16 -7.797 -0.503 -15.306 124 HE ARG 16 HE ARG 16 -8.760 -1.457 -12.690 125 HH11 ARG 16 1HH1 ARG 16 -7.549 -2.133 -15.852 126 HH12 ARG 16 2HH1 ARG 16 -7.779 -3.836 -15.681 127 HH21 ARG 16 1HH2 ARG 16 -9.021 -3.626 -12.481 128 HH22 ARG 16 2HH2 ARG 16 -8.598 -4.672 -13.793 129 H ARG 17 H ARG 17 -5.104 -3.249 -12.217 130 HA ARG 17 HA ARG 17 -2.574 -4.246 -13.373 131 HB2 ARG 17 2HB ARG 17 -3.218 -5.071 -11.102 132 HB3 ARG 17 1HB ARG 17 -4.671 -5.773 -11.804 133 HG2 ARG 17 2HG ARG 17 -3.095 -7.527 -11.592 134 HG3 ARG 17 1HG ARG 17 -3.178 -7.127 -13.307 135 HD2 ARG 17 2HD ARG 17 -0.877 -7.390 -12.811 136 HD3 ARG 17 1HD ARG 17 -1.148 -5.651 -12.928 137 HE ARG 17 HE ARG 17 -1.156 -6.985 -10.316 138 HH11 ARG 17 1HH1 ARG 17 0.236 -4.669 -12.454 139 HH12 ARG 17 2HH1 ARG 17 1.182 -3.938 -11.207 140 HH21 ARG 17 1HH2 ARG 17 0.028 -6.056 -8.740 141 HH22 ARG 17 2HH2 ARG 17 1.078 -4.729 -9.119 142 H GLU 18 H GLU 18 -2.615 -5.810 -15.042 143 HA GLU 18 HA GLU 18 -4.547 -5.547 -17.036 144 HB2 GLU 18 2HB GLU 18 -2.520 -7.738 -16.546 145 HB3 GLU 18 1HB GLU 18 -3.524 -7.672 -17.987 146 HG2 GLU 18 2HG GLU 18 -1.325 -6.771 -18.441 147 HG3 GLU 18 1HG GLU 18 -2.542 -5.504 -18.576 148 H ARG 19 H ARG 19 -4.288 -7.953 -14.459 149 HA ARG 19 HA ARG 19 -6.968 -8.971 -15.189 150 HB2 ARG 19 2HB ARG 19 -4.780 -10.382 -13.635 151 HB3 ARG 19 1HB ARG 19 -6.338 -11.068 -14.086 152 HG2 ARG 19 2HG ARG 19 -5.765 -10.980 -16.424 153 HG3 ARG 19 1HG ARG 19 -4.266 -10.121 -16.065 154 HD2 ARG 19 2HD ARG 19 -3.527 -12.117 -14.749 155 HD3 ARG 19 1HD ARG 19 -4.966 -12.964 -15.325 156 HE ARG 19 HE ARG 19 -3.711 -12.035 -17.587 157 HH11 ARG 19 1HH1 ARG 19 -2.885 -14.124 -14.981 158 HH12 ARG 19 2HH1 ARG 19 -1.779 -15.050 -15.929 159 HH21 ARG 19 1HH2 ARG 19 -2.259 -13.193 -18.787 160 HH22 ARG 19 2HH2 ARG 19 -1.423 -14.528 -18.065 161 HA PRO 20 HA PRO 20 -8.589 -7.184 -11.537 162 HB2 PRO 20 2HB PRO 20 -10.645 -8.866 -10.939 163 HB3 PRO 20 1HB PRO 20 -10.658 -7.775 -12.329 164 HG2 PRO 20 2HG PRO 20 -9.975 -10.697 -12.229 165 HG3 PRO 20 1HG PRO 20 -11.011 -9.831 -13.381 166 HD2 PRO 20 2HD PRO 20 -8.465 -10.488 -13.972 167 HD3 PRO 20 1HD PRO 20 -9.203 -8.984 -14.563 168 H GLU 21 H GLU 21 -6.701 -9.836 -11.210 169 HA GLU 21 HA GLU 21 -7.395 -10.962 -8.725 170 HB2 GLU 21 2HB GLU 21 -5.825 -11.987 -10.331 171 HB3 GLU 21 1HB GLU 21 -4.655 -10.721 -9.995 172 HG2 GLU 21 2HG GLU 21 -4.031 -12.705 -8.806 173 HG3 GLU 21 1HG GLU 21 -4.552 -11.484 -7.645 174 H ASP 22 H ASP 22 -5.345 -8.185 -9.515 175 HA ASP 22 HA ASP 22 -4.407 -7.858 -6.799 176 HB2 ASP 22 2HB ASP 22 -4.047 -6.182 -9.292 177 HB3 ASP 22 1HB ASP 22 -3.271 -5.836 -7.749 178 H LEU 23 H LEU 23 -4.335 -5.075 -6.556 179 HA LEU 23 HA LEU 23 -7.176 -4.316 -6.260 180 HB2 LEU 23 2HB LEU 23 -6.148 -4.920 -4.104 181 HB3 LEU 23 1HB LEU 23 -4.880 -3.741 -4.373 182 HG LEU 23 HG LEU 23 -6.582 -1.929 -4.296 183 HD11 LEU 23 1HD1 LEU 23 -8.828 -2.420 -3.462 184 HD12 LEU 23 2HD1 LEU 23 -8.478 -4.148 -3.516 185 HD13 LEU 23 3HD1 LEU 23 -8.533 -3.211 -5.010 186 HD21 LEU 23 3HD2 LEU 23 -6.516 -3.738 -1.875 187 HD22 LEU 23 1HD2 LEU 23 -6.960 -2.030 -1.876 188 HD23 LEU 23 2HD2 LEU 23 -5.317 -2.514 -2.295 189 H GLU 24 H GLU 24 -7.664 -2.562 -7.432 190 HA GLU 24 HA GLU 24 -5.767 -0.994 -8.799 191 HB2 GLU 24 2HB GLU 24 -8.695 -1.029 -8.510 192 HB3 GLU 24 1HB GLU 24 -8.035 0.565 -8.832 193 HG2 GLU 24 2HG GLU 24 -8.630 -0.427 -10.906 194 HG3 GLU 24 1HG GLU 24 -6.873 -0.365 -10.815 195 H LEU 25 H LEU 25 -5.266 1.205 -8.654 196 HA LEU 25 HA LEU 25 -5.591 2.442 -5.988 197 HB2 LEU 25 2HB LEU 25 -3.375 2.807 -8.021 198 HB3 LEU 25 1HB LEU 25 -3.524 3.731 -6.538 199 HG LEU 25 HG LEU 25 -3.049 0.747 -6.716 200 HD11 LEU 25 1HD1 LEU 25 -1.100 2.069 -7.373 201 HD12 LEU 25 2HD1 LEU 25 -0.835 1.256 -5.830 202 HD13 LEU 25 3HD1 LEU 25 -1.203 2.982 -5.866 203 HD21 LEU 25 3HD2 LEU 25 -3.200 2.560 -4.301 204 HD22 LEU 25 1HD2 LEU 25 -2.753 0.853 -4.288 205 HD23 LEU 25 2HD2 LEU 25 -4.384 1.332 -4.754 206 H LEU 26 H LEU 26 -6.452 4.475 -5.877 207 HA LEU 26 HA LEU 26 -6.917 5.938 -8.402 208 HB2 LEU 26 2HB LEU 26 -8.692 5.651 -5.981 209 HB3 LEU 26 1HB LEU 26 -8.878 6.995 -7.087 210 HG LEU 26 HG LEU 26 -10.511 5.325 -7.627 211 HD11 LEU 26 1HD1 LEU 26 -10.033 4.923 -9.957 212 HD12 LEU 26 2HD1 LEU 26 -8.313 5.203 -9.688 213 HD13 LEU 26 3HD1 LEU 26 -9.463 6.529 -9.500 214 HD21 LEU 26 3HD2 LEU 26 -9.985 3.049 -8.235 215 HD22 LEU 26 1HD2 LEU 26 -9.368 3.384 -6.617 216 HD23 LEU 26 2HD2 LEU 26 -8.264 3.343 -7.992 217 HA PRO 27 HA PRO 27 -4.606 9.302 -6.763 218 HB2 PRO 27 2HB PRO 27 -5.944 11.496 -7.687 219 HB3 PRO 27 1HB PRO 27 -4.969 10.447 -8.723 220 HG2 PRO 27 2HG PRO 27 -7.941 10.467 -8.312 221 HG3 PRO 27 1HG PRO 27 -7.018 10.325 -9.822 222 HD2 PRO 27 2HD PRO 27 -8.102 8.176 -8.590 223 HD3 PRO 27 1HD PRO 27 -6.572 8.077 -9.486 224 H GLY 28 H GLY 28 -4.560 9.667 -4.627 225 HA2 GLY 28 2HA GLY 28 -5.059 10.958 -2.726 226 HA3 GLY 28 1HA GLY 28 -6.617 11.365 -3.427 227 H ASP 29 H ASP 29 -5.707 8.032 -3.403 228 HA ASP 29 HA ASP 29 -7.771 7.435 -1.439 229 HB2 ASP 29 2HB ASP 29 -6.142 5.765 -3.341 230 HB3 ASP 29 1HB ASP 29 -7.076 5.013 -2.050 231 H VAL 30 H VAL 30 -7.449 6.738 0.596 232 HA VAL 30 HA VAL 30 -4.703 6.450 1.591 233 HB VAL 30 HB VAL 30 -7.310 6.467 3.144 234 HG11 VAL 30 1HG1 VAL 30 -5.500 5.316 4.322 235 HG12 VAL 30 2HG1 VAL 30 -5.892 6.844 5.107 236 HG13 VAL 30 3HG1 VAL 30 -4.449 6.717 4.100 237 HG21 VAL 30 3HG2 VAL 30 -5.315 8.707 2.733 238 HG22 VAL 30 1HG2 VAL 30 -6.758 8.771 3.746 239 HG23 VAL 30 2HG2 VAL 30 -6.916 8.607 1.998 240 H LEU 31 H LEU 31 -3.808 4.487 1.932 241 HA LEU 31 HA LEU 31 -5.594 2.143 2.111 242 HB2 LEU 31 2HB LEU 31 -2.885 2.295 0.780 243 HB3 LEU 31 1HB LEU 31 -3.787 0.815 1.038 244 HG LEU 31 HG LEU 31 -5.655 1.995 -0.356 245 HD11 LEU 31 1HD1 LEU 31 -3.241 3.562 -1.269 246 HD12 LEU 31 2HD1 LEU 31 -4.636 4.212 -0.408 247 HD13 LEU 31 3HD1 LEU 31 -4.830 3.560 -2.033 248 HD21 LEU 31 3HD2 LEU 31 -4.467 0.001 -1.073 249 HD22 LEU 31 1HD2 LEU 31 -3.112 0.982 -1.632 250 HD23 LEU 31 2HD2 LEU 31 -4.682 1.111 -2.426 251 H VAL 32 H VAL 32 -5.400 0.925 3.872 252 HA VAL 32 HA VAL 32 -3.159 1.425 5.706 253 HB VAL 32 HB VAL 32 -5.701 -0.134 6.234 254 HG11 VAL 32 1HG1 VAL 32 -5.099 0.175 8.605 255 HG12 VAL 32 2HG1 VAL 32 -3.596 0.955 8.112 256 HG13 VAL 32 3HG1 VAL 32 -3.877 -0.744 7.726 257 HG21 VAL 32 3HG2 VAL 32 -6.507 1.853 7.416 258 HG22 VAL 32 1HG2 VAL 32 -6.213 2.204 5.712 259 HG23 VAL 32 2HG2 VAL 32 -5.058 2.736 6.933 260 H VAL 33 H VAL 33 -1.503 0.019 5.779 261 HA VAL 33 HA VAL 33 -1.965 -2.780 4.929 262 HB VAL 33 HB VAL 33 0.652 -1.256 5.061 263 HG11 VAL 33 1HG1 VAL 33 0.089 -4.059 4.071 264 HG12 VAL 33 2HG1 VAL 33 0.990 -3.627 5.526 265 HG13 VAL 33 3HG1 VAL 33 1.630 -3.212 3.935 266 HG21 VAL 33 3HG2 VAL 33 -0.781 -0.494 3.230 267 HG22 VAL 33 1HG2 VAL 33 -0.960 -2.157 2.667 268 HG23 VAL 33 2HG2 VAL 33 0.619 -1.372 2.612 269 H SER 34 H SER 34 -1.901 -4.328 6.435 270 HA SER 34 HA SER 34 -1.610 -3.794 9.177 271 HB2 SER 34 2HB SER 34 -1.483 -6.439 7.699 272 HB3 SER 34 1HB SER 34 -1.602 -6.282 9.453 273 HG SER 34 HG SER 34 -3.578 -6.290 7.708 274 H ARG 35 H ARG 35 0.097 -3.725 10.532 275 HA ARG 35 HA ARG 35 2.718 -3.588 9.587 276 HB2 ARG 35 2HB ARG 35 3.414 -3.611 11.957 277 HB3 ARG 35 1HB ARG 35 2.084 -2.505 11.652 278 HG2 ARG 35 2HG ARG 35 0.517 -4.222 12.528 279 HG3 ARG 35 1HG ARG 35 1.911 -5.225 12.939 280 HD2 ARG 35 2HD ARG 35 1.389 -2.441 13.993 281 HD3 ARG 35 1HD ARG 35 1.065 -3.937 14.868 282 HE ARG 35 HE ARG 35 3.742 -4.001 14.149 283 HH11 ARG 35 1HH1 ARG 35 1.708 -1.964 16.050 284 HH12 ARG 35 2HH1 ARG 35 2.962 -1.589 17.183 285 HH21 ARG 35 1HH2 ARG 35 5.342 -3.509 15.606 286 HH22 ARG 35 2HH2 ARG 35 5.001 -2.449 16.933 287 H ALA 36 H ALA 36 0.912 -6.343 10.827 288 HA ALA 36 HA ALA 36 2.946 -8.230 11.098 289 HB1 ALA 36 3HB ALA 36 0.144 -8.661 10.048 290 HB2 ALA 36 1HB ALA 36 0.625 -8.642 11.745 291 HB3 ALA 36 2HB ALA 36 1.214 -9.916 10.675 292 H ALA 37 H ALA 37 1.240 -7.172 8.165 293 HA ALA 37 HA ALA 37 2.397 -9.008 6.358 294 HB1 ALA 37 3HB ALA 37 1.388 -6.215 5.783 295 HB2 ALA 37 1HB ALA 37 0.398 -7.676 5.826 296 HB3 ALA 37 2HB ALA 37 1.650 -7.494 4.596 297 H LEU 38 H LEU 38 3.349 -5.678 7.219 298 HA LEU 38 HA LEU 38 5.616 -5.386 5.645 299 HB2 LEU 38 2HB LEU 38 5.146 -4.424 8.477 300 HB3 LEU 38 1HB LEU 38 6.424 -3.836 7.429 301 HG LEU 38 HG LEU 38 3.478 -3.575 6.785 302 HD11 LEU 38 1HD1 LEU 38 3.986 -2.315 8.804 303 HD12 LEU 38 2HD1 LEU 38 3.702 -1.229 7.444 304 HD13 LEU 38 3HD1 LEU 38 5.349 -1.539 7.996 305 HD21 LEU 38 3HD2 LEU 38 5.918 -2.247 5.596 306 HD22 LEU 38 1HD2 LEU 38 4.243 -1.949 5.133 307 HD23 LEU 38 2HD2 LEU 38 4.969 -3.528 4.839 308 H GLN 39 H GLN 39 5.348 -6.825 8.882 309 HA GLN 39 HA GLN 39 8.028 -7.544 9.270 310 HB2 GLN 39 2HB GLN 39 5.534 -8.960 10.255 311 HB3 GLN 39 1HB GLN 39 7.156 -9.199 10.892 312 HG2 GLN 39 2HG GLN 39 7.227 -6.901 11.663 313 HG3 GLN 39 1HG GLN 39 5.640 -6.596 10.957 314 HE21 GLN 39 1HE2 GLN 39 4.786 -6.018 12.953 315 HE22 GLN 39 2HE2 GLN 39 4.437 -7.184 14.180 316 H ALA 40 H ALA 40 5.356 -9.513 7.963 317 HA ALA 40 HA ALA 40 6.842 -11.839 7.458 318 HB1 ALA 40 3HB ALA 40 4.391 -11.780 7.533 319 HB2 ALA 40 1HB ALA 40 4.981 -12.531 6.051 320 HB3 ALA 40 2HB ALA 40 4.368 -10.877 6.018 321 H LEU 41 H LEU 41 6.087 -9.107 5.290 322 HA LEU 41 HA LEU 41 7.296 -10.147 2.964 323 HB2 LEU 41 2HB LEU 41 6.897 -7.272 3.815 324 HB3 LEU 41 1HB LEU 41 7.383 -7.771 2.204 325 HG LEU 41 HG LEU 41 4.756 -8.488 3.524 326 HD11 LEU 41 1HD1 LEU 41 3.754 -6.936 1.923 327 HD12 LEU 41 2HD1 LEU 41 5.358 -6.490 1.340 328 HD13 LEU 41 3HD1 LEU 41 4.881 -6.110 2.996 329 HD21 LEU 41 3HD2 LEU 41 5.506 -10.193 1.941 330 HD22 LEU 41 1HD2 LEU 41 5.732 -8.956 0.704 331 HD23 LEU 41 2HD2 LEU 41 4.115 -9.313 1.311 332 H GLY 42 H GLY 42 8.659 -8.564 5.759 333 HA2 GLY 42 2HA GLY 42 10.949 -8.846 6.357 334 HA3 GLY 42 1HA GLY 42 11.354 -9.015 4.658 335 H VAL 43 H VAL 43 9.249 -6.427 5.661 336 HA VAL 43 HA VAL 43 10.986 -4.437 4.600 337 HB VAL 43 HB VAL 43 8.539 -4.072 6.350 338 HG11 VAL 43 1HG1 VAL 43 8.445 -1.807 5.379 339 HG12 VAL 43 2HG1 VAL 43 9.974 -2.109 4.553 340 HG13 VAL 43 3HG1 VAL 43 9.917 -2.065 6.316 341 HG21 VAL 43 3HG2 VAL 43 7.333 -3.700 4.236 342 HG22 VAL 43 1HG2 VAL 43 8.009 -5.328 4.331 343 HG23 VAL 43 2HG2 VAL 43 8.798 -4.102 3.338 344 H ALA 44 H ALA 44 12.822 -3.859 5.571 345 HA ALA 44 HA ALA 44 13.279 -4.177 8.387 346 HB1 ALA 44 3HB ALA 44 14.983 -2.831 6.290 347 HB2 ALA 44 1HB ALA 44 15.053 -4.533 6.744 348 HB3 ALA 44 2HB ALA 44 15.505 -3.291 7.912 349 H GLU 45 H GLU 45 13.681 -2.560 9.953 350 HA GLU 45 HA GLU 45 12.096 -0.293 9.991 351 HB2 GLU 45 2HB GLU 45 13.117 -1.222 12.006 352 HB3 GLU 45 1HB GLU 45 14.713 -0.738 11.448 353 HG2 GLU 45 2HG GLU 45 14.183 1.582 11.694 354 HG3 GLU 45 1HG GLU 45 12.484 1.221 11.991 355 H GLY 46 H GLY 46 12.237 1.757 9.211 356 HA2 GLY 46 2HA GLY 46 13.458 3.612 8.243 357 HA3 GLY 46 1HA GLY 46 14.667 2.468 7.674 358 H GLY 47 H GLY 47 13.109 0.510 6.525 359 HA2 GLY 47 2HA GLY 47 12.340 1.579 4.019 360 HA3 GLY 47 1HA GLY 47 11.998 -0.047 4.592 361 H GLU 48 H GLU 48 10.600 1.165 6.975 362 HA GLU 48 HA GLU 48 7.940 1.158 6.266 363 HB2 GLU 48 2HB GLU 48 8.763 1.113 8.583 364 HB3 GLU 48 1HB GLU 48 9.284 2.784 8.444 365 HG2 GLU 48 2HG GLU 48 7.287 2.926 9.620 366 HG3 GLU 48 1HG GLU 48 6.814 3.315 7.968 367 H ARG 49 H ARG 49 10.151 3.926 6.383 368 HA ARG 49 HA ARG 49 8.152 5.844 5.605 369 HB2 ARG 49 2HB ARG 49 11.167 6.095 5.725 370 HB3 ARG 49 1HB ARG 49 10.040 7.430 5.515 371 HG2 ARG 49 2HG ARG 49 10.234 5.642 7.941 372 HG3 ARG 49 1HG ARG 49 10.846 7.291 7.809 373 HD2 ARG 49 2HD ARG 49 7.953 6.418 7.676 374 HD3 ARG 49 1HD ARG 49 8.730 7.305 8.985 375 HE ARG 49 HE ARG 49 8.365 8.409 6.275 376 HH11 ARG 49 1HH1 ARG 49 8.342 8.766 9.694 377 HH12 ARG 49 2HH1 ARG 49 7.912 10.442 9.622 378 HH21 ARG 49 1HH2 ARG 49 7.797 10.549 6.193 379 HH22 ARG 49 2HH2 ARG 49 7.613 11.435 7.672 380 H CYS 50 H CYS 50 9.736 3.503 3.858 381 HA CYS 50 HA CYS 50 9.437 5.035 1.369 382 HB2 CYS 50 2HB CYS 50 11.851 3.379 2.119 383 HB3 CYS 50 1HB CYS 50 11.527 3.963 0.490 384 HG CYS 50 HG CYS 50 13.466 5.406 2.298 385 HA PRO 51 HA PRO 51 7.357 0.846 0.814 386 HB2 PRO 51 2HB PRO 51 5.187 2.049 -0.426 387 HB3 PRO 51 1HB PRO 51 5.229 1.581 1.276 388 HG2 PRO 51 2HG PRO 51 5.707 4.268 0.039 389 HG3 PRO 51 1HG PRO 51 4.808 3.856 1.513 390 HD2 PRO 51 2HD PRO 51 7.291 4.857 1.637 391 HD3 PRO 51 1HD PRO 51 6.748 3.607 2.778 392 H GLN 52 H GLN 52 8.016 3.785 -0.927 393 HA GLN 52 HA GLN 52 7.981 3.009 -3.578 394 HB2 GLN 52 2HB GLN 52 9.677 4.782 -3.917 395 HB3 GLN 52 1HB GLN 52 8.351 5.303 -2.885 396 HG2 GLN 52 2HG GLN 52 9.868 4.705 -0.917 397 HG3 GLN 52 1HG GLN 52 11.174 4.613 -2.095 398 HE21 GLN 52 1HE2 GLN 52 10.885 6.433 0.142 399 HE22 GLN 52 2HE2 GLN 52 10.880 8.027 -0.518 400 H SER 53 H SER 53 10.233 2.082 -1.081 401 HA SER 53 HA SER 53 12.174 0.982 -2.964 402 HB2 SER 53 2HB SER 53 13.037 2.036 -0.935 403 HB3 SER 53 1HB SER 53 12.099 0.932 0.069 404 HG SER 53 HG SER 53 13.440 -0.701 -0.425 405 H VAL 54 H VAL 54 9.609 -0.145 -0.847 406 HA VAL 54 HA VAL 54 10.373 -2.880 -0.769 407 HB VAL 54 HB VAL 54 7.618 -1.691 -0.357 408 HG11 VAL 54 1HG1 VAL 54 8.757 -4.355 0.513 409 HG12 VAL 54 2HG1 VAL 54 7.530 -4.100 -0.729 410 HG13 VAL 54 3HG1 VAL 54 7.171 -3.723 0.956 411 HG21 VAL 54 3HG2 VAL 54 8.175 -1.733 2.042 412 HG22 VAL 54 1HG2 VAL 54 9.256 -0.671 1.139 413 HG23 VAL 54 2HG2 VAL 54 9.810 -2.265 1.650 414 H GLY 55 H GLY 55 7.678 -1.333 -2.590 415 HA2 GLY 55 2HA GLY 55 7.596 -1.902 -5.025 416 HA3 GLY 55 1HA GLY 55 7.878 -3.563 -4.542 417 H TRP 56 H TRP 56 6.111 -4.821 -4.493 418 HA TRP 56 HA TRP 56 3.457 -3.529 -4.393 419 HB2 TRP 56 2HB TRP 56 4.236 -6.299 -5.351 420 HB3 TRP 56 1HB TRP 56 2.605 -5.641 -5.372 421 HD1 TRP 56 HD1 TRP 56 4.624 -2.823 -6.388 422 HE1 TRP 56 HE1 TRP 56 4.780 -2.621 -8.947 423 HE3 TRP 56 HE3 TRP 56 2.959 -7.486 -7.664 424 HZ2 TRP 56 HZ2 TRP 56 4.262 -4.228 -11.207 425 HZ3 TRP 56 HZ3 TRP 56 2.821 -8.072 -10.050 426 HH2 TRP 56 HH2 TRP 56 3.458 -6.479 -11.784 427 H MET 57 H MET 57 2.111 -3.830 -2.686 428 HA MET 57 HA MET 57 2.687 -6.013 -0.784 429 HB2 MET 57 2HB MET 57 2.155 -3.136 0.005 430 HB3 MET 57 1HB MET 57 2.392 -4.480 1.113 431 HG2 MET 57 2HG MET 57 4.689 -4.748 0.188 432 HG3 MET 57 1HG MET 57 4.427 -3.279 -0.750 433 HE1 MET 57 3HE MET 57 2.650 -1.585 1.412 434 HE2 MET 57 1HE MET 57 3.908 -0.900 0.382 435 HE3 MET 57 2HE MET 57 3.943 -0.620 2.123 436 HA PRO 58 HA PRO 58 -1.815 -6.277 -0.703 437 HB2 PRO 58 2HB PRO 58 -2.136 -8.018 1.315 438 HB3 PRO 58 1HB PRO 58 -1.416 -8.513 -0.221 439 HG2 PRO 58 2HG PRO 58 -0.073 -7.850 2.372 440 HG3 PRO 58 1HG PRO 58 0.280 -9.161 1.232 441 HD2 PRO 58 2HD PRO 58 1.680 -6.778 1.358 442 HD3 PRO 58 1HD PRO 58 1.599 -7.820 -0.077 443 H GLY 59 H GLY 59 -3.203 -4.770 0.086 444 HA2 GLY 59 2HA GLY 59 -3.252 -4.154 2.939 445 HA3 GLY 59 1HA GLY 59 -2.805 -2.826 1.883 446 H LEU 60 H LEU 60 -4.766 -2.022 3.121 447 HA LEU 60 HA LEU 60 -7.321 -2.866 1.915 448 HB2 LEU 60 2HB LEU 60 -7.391 -3.065 4.275 449 HB3 LEU 60 1HB LEU 60 -6.603 -1.517 4.510 450 HG LEU 60 HG LEU 60 -8.646 -0.375 3.671 451 HD11 LEU 60 1HD1 LEU 60 -10.729 -1.619 3.452 452 HD12 LEU 60 2HD1 LEU 60 -9.864 -3.135 3.705 453 HD13 LEU 60 3HD1 LEU 60 -9.536 -2.160 2.272 454 HD21 LEU 60 3HD2 LEU 60 -9.118 -2.240 6.001 455 HD22 LEU 60 1HD2 LEU 60 -9.998 -0.747 5.667 456 HD23 LEU 60 2HD2 LEU 60 -8.284 -0.688 6.072 457 H ASN 61 H ASN 61 -7.950 -1.602 0.239 458 HA ASN 61 HA ASN 61 -7.293 1.224 0.101 459 HB2 ASN 61 2HB ASN 61 -7.369 -0.018 -1.980 460 HB3 ASN 61 1HB ASN 61 -9.016 -0.548 -1.656 461 HD21 ASN 61 1HD2 ASN 61 -7.013 2.101 -2.666 462 HD22 ASN 61 2HD2 ASN 61 -8.298 3.104 -3.242 463 H GLU 62 H GLU 62 -8.353 2.531 1.527 464 HA GLU 62 HA GLU 62 -10.842 1.817 2.694 465 HB2 GLU 62 2HB GLU 62 -9.331 4.430 2.781 466 HB3 GLU 62 1HB GLU 62 -10.753 4.075 3.754 467 HG2 GLU 62 2HG GLU 62 -9.438 2.062 4.631 468 HG3 GLU 62 1HG GLU 62 -8.023 2.826 3.907 469 H ARG 63 H ARG 63 -10.286 3.255 -0.333 470 HA ARG 63 HA ARG 63 -12.715 4.838 -0.351 471 HB2 ARG 63 2HB ARG 63 -10.614 5.257 -1.796 472 HB3 ARG 63 1HB ARG 63 -11.226 3.971 -2.829 473 HG2 ARG 63 2HG ARG 63 -13.377 5.281 -3.003 474 HG3 ARG 63 1HG ARG 63 -12.541 6.606 -2.195 475 HD2 ARG 63 2HD ARG 63 -12.392 7.070 -4.502 476 HD3 ARG 63 1HD ARG 63 -10.807 6.456 -4.040 477 HE ARG 63 HE ARG 63 -11.443 4.330 -5.053 478 HH11 ARG 63 1HH1 ARG 63 -13.265 7.128 -5.880 479 HH12 ARG 63 2HH1 ARG 63 -13.877 6.441 -7.344 480 HH21 ARG 63 1HH2 ARG 63 -12.256 3.439 -6.958 481 HH22 ARG 63 2HH2 ARG 63 -13.340 4.374 -7.923 482 H THR 64 H THR 64 -11.759 1.597 -1.233 483 HA THR 64 HA THR 64 -14.514 1.011 -2.150 484 HB THR 64 HB THR 64 -13.567 -0.994 -3.244 485 HG1 THR 64 HG1 THR 64 -10.953 -0.028 -2.891 486 HG21 THR 64 3HG2 THR 64 -12.156 1.571 -4.016 487 HG22 THR 64 1HG2 THR 64 -13.762 1.072 -4.549 488 HG23 THR 64 2HG2 THR 64 -12.341 0.149 -5.043 489 H ARG 65 H ARG 65 -12.385 0.590 0.426 490 HA ARG 65 HA ARG 65 -12.369 -0.637 2.330 491 HB2 ARG 65 2HB ARG 65 -15.179 -1.199 1.410 492 HB3 ARG 65 1HB ARG 65 -14.528 -2.009 2.826 493 HG2 ARG 65 2HG ARG 65 -15.794 -0.089 3.518 494 HG3 ARG 65 1HG ARG 65 -14.088 0.191 3.858 495 HD2 ARG 65 2HD ARG 65 -15.099 2.199 2.957 496 HD3 ARG 65 1HD ARG 65 -13.923 1.554 1.813 497 HE ARG 65 HE ARG 65 -16.300 0.487 1.007 498 HH11 ARG 65 1HH1 ARG 65 -15.159 3.686 1.578 499 HH12 ARG 65 2HH1 ARG 65 -16.228 4.389 0.415 500 HH21 ARG 65 1HH2 ARG 65 -17.661 1.404 -0.491 501 HH22 ARG 65 2HH2 ARG 65 -17.619 3.115 -0.740 502 H GLN 66 H GLN 66 -11.727 -1.841 -0.452 503 HA GLN 66 HA GLN 66 -12.009 -4.696 0.150 504 HB2 GLN 66 2HB GLN 66 -10.957 -3.399 -2.376 505 HB3 GLN 66 1HB GLN 66 -11.378 -5.095 -2.158 506 HG2 GLN 66 2HG GLN 66 -13.249 -2.737 -2.156 507 HG3 GLN 66 1HG GLN 66 -13.125 -3.998 -3.379 508 HE21 GLN 66 1HE2 GLN 66 -15.385 -3.105 -1.750 509 HE22 GLN 66 2HE2 GLN 66 -15.958 -4.509 -0.925 510 H ARG 67 H ARG 67 -10.297 -6.106 0.310 511 HA ARG 67 HA ARG 67 -7.652 -4.890 0.786 512 HB2 ARG 67 2HB ARG 67 -8.833 -7.509 1.750 513 HB3 ARG 67 1HB ARG 67 -7.150 -7.061 1.979 514 HG2 ARG 67 2HG ARG 67 -8.249 -6.587 4.008 515 HG3 ARG 67 1HG ARG 67 -7.972 -5.030 3.228 516 HD2 ARG 67 2HD ARG 67 -10.196 -5.081 4.174 517 HD3 ARG 67 1HD ARG 67 -10.306 -5.053 2.415 518 HE ARG 67 HE ARG 67 -10.375 -7.718 3.345 519 HH11 ARG 67 1HH1 ARG 67 -12.337 -4.875 3.153 520 HH12 ARG 67 2HH1 ARG 67 -13.814 -5.768 3.237 521 HH21 ARG 67 1HH2 ARG 67 -12.287 -8.834 3.437 522 HH22 ARG 67 2HH2 ARG 67 -13.785 -7.974 3.401 523 H GLY 68 H GLY 68 -5.962 -5.381 -0.525 524 HA2 GLY 68 2HA GLY 68 -5.751 -7.845 -1.962 525 HA3 GLY 68 1HA GLY 68 -6.288 -6.546 -3.015 526 H ASP 69 H ASP 69 -4.135 -7.408 -3.970 527 HA ASP 69 HA ASP 69 -1.747 -6.307 -2.717 528 HB2 ASP 69 2HB ASP 69 -2.055 -7.791 -5.343 529 HB3 ASP 69 1HB ASP 69 -0.537 -7.425 -4.526 530 H PHE 70 H PHE 70 -1.189 -4.238 -3.071 531 HA PHE 70 HA PHE 70 -1.778 -3.060 -5.719 532 HB2 PHE 70 2HB PHE 70 -2.171 -0.915 -4.684 533 HB3 PHE 70 1HB PHE 70 -3.186 -2.109 -3.886 534 HD1 PHE 70 HD1 PHE 70 -2.593 -2.902 -1.597 535 HD2 PHE 70 HD2 PHE 70 -0.505 0.292 -3.493 536 HE1 PHE 70 HE1 PHE 70 -1.686 -2.202 0.578 537 HE2 PHE 70 HE2 PHE 70 0.400 0.995 -1.316 538 HZ PHE 70 HZ PHE 70 -0.187 -0.253 0.719 539 HA PRO 71 HA PRO 71 2.581 -2.171 -6.039 540 HB2 PRO 71 2HB PRO 71 1.882 0.238 -7.593 541 HB3 PRO 71 1HB PRO 71 2.770 -1.202 -8.097 542 HG2 PRO 71 2HG PRO 71 0.272 -0.704 -8.973 543 HG3 PRO 71 1HG PRO 71 0.842 -2.356 -8.665 544 HD2 PRO 71 2HD PRO 71 -0.889 -0.596 -6.951 545 HD3 PRO 71 1HD PRO 71 -1.054 -2.330 -7.313 546 H GLY 72 H GLY 72 3.008 -1.592 -3.875 547 HA2 GLY 72 2HA GLY 72 2.297 0.888 -2.695 548 HA3 GLY 72 1HA GLY 72 3.495 -0.238 -2.084 549 H THR 73 H THR 73 4.721 0.205 -4.984 550 HA THR 73 HA THR 73 6.729 2.023 -4.260 551 HB THR 73 HB THR 73 5.874 1.282 -7.074 552 HG1 THR 73 HG1 THR 73 7.913 0.126 -5.442 553 HG21 THR 73 3HG2 THR 73 8.207 1.836 -7.680 554 HG22 THR 73 1HG2 THR 73 8.493 2.391 -6.030 555 HG23 THR 73 2HG2 THR 73 7.339 3.240 -7.061 556 H TYR 74 H TYR 74 3.581 2.556 -5.661 557 HA TYR 74 HA TYR 74 4.246 5.280 -6.508 558 HB2 TYR 74 2HB TYR 74 1.679 3.712 -6.823 559 HB3 TYR 74 1HB TYR 74 2.011 5.289 -7.530 560 HD1 TYR 74 HD2 TYR 74 4.301 5.312 -8.974 561 HD2 TYR 74 HD1 TYR 74 1.883 1.895 -8.214 562 HE1 TYR 74 HE2 TYR 74 5.204 4.231 -10.988 563 HE2 TYR 74 HE1 TYR 74 2.776 0.805 -10.227 564 HH TYR 74 HH TYR 74 5.492 2.007 -11.917 565 H VAL 75 H VAL 75 3.452 4.084 -3.584 566 HA VAL 75 HA VAL 75 1.471 6.197 -2.987 567 HB VAL 75 HB VAL 75 0.768 4.952 -1.047 568 HG11 VAL 75 1HG1 VAL 75 -0.163 2.946 -2.112 569 HG12 VAL 75 2HG1 VAL 75 0.955 3.147 -3.461 570 HG13 VAL 75 3HG1 VAL 75 -0.286 4.363 -3.156 571 HG21 VAL 75 3HG2 VAL 75 2.922 4.006 -0.371 572 HG22 VAL 75 1HG2 VAL 75 2.877 2.906 -1.748 573 HG23 VAL 75 2HG2 VAL 75 1.678 2.760 -0.464 574 H GLU 76 H GLU 76 1.709 7.511 -1.165 575 HA GLU 76 HA GLU 76 4.448 7.747 -0.112 576 HB2 GLU 76 2HB GLU 76 3.821 10.012 0.551 577 HB3 GLU 76 1HB GLU 76 3.474 9.760 -1.153 578 HG2 GLU 76 2HG GLU 76 1.120 9.516 -0.694 579 HG3 GLU 76 1HG GLU 76 1.412 9.587 1.043 580 H PHE 77 H PHE 77 4.718 8.215 2.206 581 HA PHE 77 HA PHE 77 2.922 6.549 3.798 582 HB2 PHE 77 2HB PHE 77 5.371 6.239 3.958 583 HB3 PHE 77 1HB PHE 77 5.539 7.885 4.555 584 HD1 PHE 77 HD2 PHE 77 3.677 4.738 5.349 585 HD2 PHE 77 HD1 PHE 77 5.674 8.193 6.846 586 HE1 PHE 77 HE2 PHE 77 3.384 3.910 7.647 587 HE2 PHE 77 HE1 PHE 77 5.377 7.373 9.143 588 HZ PHE 77 HZ PHE 77 4.233 5.228 9.548 589 H LEU 78 H LEU 78 1.338 7.361 5.030 590 HA LEU 78 HA LEU 78 1.231 10.240 5.555 591 HB2 LEU 78 2HB LEU 78 -0.818 8.074 6.055 592 HB3 LEU 78 1HB LEU 78 -1.076 9.788 6.323 593 HG LEU 78 HG LEU 78 -0.592 8.454 3.651 594 HD11 LEU 78 1HD1 LEU 78 -3.064 9.767 4.790 595 HD12 LEU 78 2HD1 LEU 78 -2.822 8.036 4.561 596 HD13 LEU 78 3HD1 LEU 78 -2.894 9.107 3.163 597 HD21 LEU 78 3HD2 LEU 78 -1.020 10.668 2.678 598 HD22 LEU 78 1HD2 LEU 78 0.422 10.671 3.694 599 HD23 LEU 78 2HD2 LEU 78 -1.083 11.367 4.296 600 H GLY 79 H GLY 79 1.118 7.171 7.355 601 HA2 GLY 79 2HA GLY 79 2.727 7.545 9.405 602 HA3 GLY 79 1HA GLY 79 1.428 8.622 9.888 603 HA PRO 80 HA PRO 80 0.349 4.311 11.350 604 HB2 PRO 80 2HB PRO 80 1.087 4.413 13.921 605 HB3 PRO 80 1HB PRO 80 2.266 4.057 12.653 606 HG2 PRO 80 2HG PRO 80 1.764 6.627 14.103 607 HG3 PRO 80 1HG PRO 80 3.308 5.881 13.648 608 HD2 PRO 80 2HD PRO 80 2.052 7.911 12.233 609 HD3 PRO 80 1HD PRO 80 3.254 6.798 11.551 610 H LEU 81 H LEU 81 -1.194 3.787 13.187 611 HA LEU 81 HA LEU 81 -2.848 6.119 13.932 612 HB2 LEU 81 2HB LEU 81 -4.672 4.133 13.999 613 HB3 LEU 81 1HB LEU 81 -4.401 5.150 12.599 614 HG LEU 81 HG LEU 81 -2.845 2.598 12.833 615 HD11 LEU 81 1HD1 LEU 81 -5.708 2.763 11.893 616 HD12 LEU 81 2HD1 LEU 81 -5.130 1.907 13.324 617 HD13 LEU 81 3HD1 LEU 81 -4.643 1.367 11.717 618 HD21 LEU 81 3HD2 LEU 81 -4.034 4.079 10.485 619 HD22 LEU 81 1HD2 LEU 81 -2.999 2.653 10.404 620 HD23 LEU 81 2HD2 LEU 81 -2.356 4.174 11.017 621 H GLU 82 H GLU 82 -3.363 6.335 16.028 622 HA GLU 82 HA GLU 82 -2.893 6.204 18.258 623 HB2 GLU 82 2HB GLU 82 -4.014 4.196 19.345 624 HB3 GLU 82 1HB GLU 82 -5.017 5.214 18.329 625 HG2 GLU 82 2HG GLU 82 -5.360 3.589 16.786 626 HG3 GLU 82 1HG GLU 82 -3.764 2.880 17.013 Start of MODEL 20 1 H1 MET 1 1H MET 1 -7.697 -4.890 21.989 2 H2 MET 1 2H MET 1 -7.447 -3.563 23.003 3 H3 MET 1 3H MET 1 -6.244 -4.741 22.842 4 HA MET 1 HA MET 1 -5.873 -4.166 20.567 5 HB2 MET 1 2HB MET 1 -7.052 -2.220 19.572 6 HB3 MET 1 1HB MET 1 -8.134 -3.550 19.948 7 HG2 MET 1 2HG MET 1 -8.835 -2.386 22.001 8 HG3 MET 1 1HG MET 1 -7.778 -1.041 21.579 9 HE1 MET 1 3HE MET 1 -11.015 -3.056 20.637 10 HE2 MET 1 1HE MET 1 -10.014 -3.244 19.195 11 HE3 MET 1 2HE MET 1 -11.488 -2.278 19.125 12 H ALA 2 H ALA 2 -3.963 -3.120 20.462 13 HA ALA 2 HA ALA 2 -3.532 -0.532 21.640 14 HB1 ALA 2 3HB ALA 2 -1.865 -1.176 23.297 15 HB2 ALA 2 1HB ALA 2 -2.139 -2.880 22.931 16 HB3 ALA 2 2HB ALA 2 -3.423 -1.917 23.661 17 H GLY 3 H GLY 3 -1.501 0.397 21.108 18 HA2 GLY 3 2HA GLY 3 0.529 0.612 20.009 19 HA3 GLY 3 1HA GLY 3 0.514 -1.115 19.695 20 HA PRO 4 HA PRO 4 -0.263 1.111 15.676 21 HB2 PRO 4 2HB PRO 4 1.597 -0.204 14.205 22 HB3 PRO 4 1HB PRO 4 1.988 1.210 15.191 23 HG2 PRO 4 2HG PRO 4 2.382 -1.698 15.814 24 HG3 PRO 4 1HG PRO 4 3.486 -0.335 16.081 25 HD2 PRO 4 2HD PRO 4 1.941 -1.401 18.055 26 HD3 PRO 4 1HD PRO 4 2.426 0.306 18.024 27 H GLU 5 H GLU 5 -2.293 0.142 15.429 28 HA GLU 5 HA GLU 5 -2.714 -2.614 14.876 29 HB2 GLU 5 2HB GLU 5 -4.385 -0.773 15.648 30 HB3 GLU 5 1HB GLU 5 -4.537 -0.395 13.941 31 HG2 GLU 5 2HG GLU 5 -5.096 -3.108 15.133 32 HG3 GLU 5 1HG GLU 5 -6.320 -1.875 14.860 33 H GLY 6 H GLY 6 -2.417 0.249 12.806 34 HA2 GLY 6 2HA GLY 6 -1.384 -1.380 10.634 35 HA3 GLY 6 1HA GLY 6 -2.924 -0.599 10.307 36 H PHE 7 H PHE 7 -1.093 0.116 8.605 37 HA PHE 7 HA PHE 7 -0.211 2.794 9.483 38 HB2 PHE 7 2HB PHE 7 1.251 0.929 7.588 39 HB3 PHE 7 1HB PHE 7 1.740 2.574 7.977 40 HD1 PHE 7 HD1 PHE 7 2.579 3.121 10.235 41 HD2 PHE 7 HD2 PHE 7 1.686 -0.887 9.091 42 HE1 PHE 7 HE1 PHE 7 3.864 2.284 12.157 43 HE2 PHE 7 HE2 PHE 7 2.972 -1.723 11.014 44 HZ PHE 7 HZ PHE 7 4.061 -0.138 12.551 45 H GLN 8 H GLN 8 -0.655 4.478 8.093 46 HA GLN 8 HA GLN 8 -2.497 3.858 5.915 47 HB2 GLN 8 2HB GLN 8 -1.795 6.436 7.314 48 HB3 GLN 8 1HB GLN 8 -2.855 6.368 5.914 49 HG2 GLN 8 2HG GLN 8 -4.402 4.935 7.144 50 HG3 GLN 8 1HG GLN 8 -3.328 4.976 8.544 51 HE21 GLN 8 1HE2 GLN 8 -6.116 5.892 8.252 52 HE22 GLN 8 2HE2 GLN 8 -6.100 7.549 8.732 53 H TYR 9 H TYR 9 -2.010 3.957 3.852 54 HA TYR 9 HA TYR 9 0.193 5.695 2.921 55 HB2 TYR 9 2HB TYR 9 -0.784 3.046 1.828 56 HB3 TYR 9 1HB TYR 9 0.201 4.149 0.875 57 HD1 TYR 9 HD1 TYR 9 0.187 2.042 3.939 58 HD2 TYR 9 HD2 TYR 9 2.545 4.272 1.178 59 HE1 TYR 9 HE1 TYR 9 2.232 1.076 4.908 60 HE2 TYR 9 HE2 TYR 9 4.591 3.312 2.139 61 HH TYR 9 HH TYR 9 5.376 2.262 4.145 62 H ARG 10 H ARG 10 -0.193 6.597 0.694 63 HA ARG 10 HA ARG 10 -3.035 6.803 -0.037 64 HB2 ARG 10 2HB ARG 10 -2.695 8.729 1.368 65 HB3 ARG 10 1HB ARG 10 -1.220 9.160 0.512 66 HG2 ARG 10 2HG ARG 10 -2.491 9.684 -1.490 67 HG3 ARG 10 1HG ARG 10 -3.983 9.161 -0.703 68 HD2 ARG 10 2HD ARG 10 -2.237 11.428 0.264 69 HD3 ARG 10 1HD ARG 10 -3.670 11.630 -0.743 70 HE ARG 10 HE ARG 10 -4.790 10.387 1.242 71 HH11 ARG 10 1HH1 ARG 10 -2.282 12.736 1.444 72 HH12 ARG 10 2HH1 ARG 10 -2.813 13.331 2.978 73 HH21 ARG 10 1HH2 ARG 10 -5.481 11.174 3.211 74 HH22 ARG 10 2HH2 ARG 10 -4.583 12.433 3.986 75 H ALA 11 H ALA 11 -3.323 6.511 -2.148 76 HA ALA 11 HA ALA 11 -1.099 6.474 -3.980 77 HB1 ALA 11 3HB ALA 11 -2.791 5.849 -5.659 78 HB2 ALA 11 1HB ALA 11 -4.065 6.144 -4.473 79 HB3 ALA 11 2HB ALA 11 -2.892 4.849 -4.210 80 H LEU 12 H LEU 12 -0.385 8.091 -5.217 81 HA LEU 12 HA LEU 12 -1.665 10.675 -5.126 82 HB2 LEU 12 2HB LEU 12 0.796 9.733 -6.608 83 HB3 LEU 12 1HB LEU 12 0.279 11.405 -6.478 84 HG LEU 12 HG LEU 12 1.116 9.645 -4.160 85 HD11 LEU 12 1HD1 LEU 12 3.079 11.090 -4.029 86 HD12 LEU 12 2HD1 LEU 12 2.548 11.957 -5.471 87 HD13 LEU 12 3HD1 LEU 12 3.001 10.255 -5.581 88 HD21 LEU 12 3HD2 LEU 12 0.988 11.695 -2.828 89 HD22 LEU 12 1HD2 LEU 12 -0.583 11.275 -3.510 90 HD23 LEU 12 2HD2 LEU 12 0.371 12.573 -4.228 91 H TYR 13 H TYR 13 -1.156 8.162 -7.554 92 HA TYR 13 HA TYR 13 -3.136 9.497 -9.280 93 HB2 TYR 13 2HB TYR 13 -0.542 8.205 -10.168 94 HB3 TYR 13 1HB TYR 13 -1.843 8.649 -11.270 95 HD1 TYR 13 HD1 TYR 13 -2.380 11.026 -11.662 96 HD2 TYR 13 HD2 TYR 13 0.935 9.881 -9.242 97 HE1 TYR 13 HE1 TYR 13 -1.467 13.299 -11.845 98 HE2 TYR 13 HE2 TYR 13 1.857 12.154 -9.424 99 HH TYR 13 HH TYR 13 1.725 14.095 -10.777 100 HA PRO 14 HA PRO 14 -5.249 5.637 -9.014 101 HB2 PRO 14 2HB PRO 14 -6.739 5.719 -11.305 102 HB3 PRO 14 1HB PRO 14 -7.110 6.673 -9.864 103 HG2 PRO 14 2HG PRO 14 -5.681 7.495 -12.372 104 HG3 PRO 14 1HG PRO 14 -6.911 8.378 -11.446 105 HD2 PRO 14 2HD PRO 14 -4.271 8.942 -11.240 106 HD3 PRO 14 1HD PRO 14 -5.378 9.097 -9.858 107 H PHE 15 H PHE 15 -4.312 3.713 -9.302 108 HA PHE 15 HA PHE 15 -3.498 2.915 -12.025 109 HB2 PHE 15 2HB PHE 15 -1.486 3.501 -10.705 110 HB3 PHE 15 1HB PHE 15 -1.952 2.320 -9.485 111 HD1 PHE 15 HD1 PHE 15 -0.776 2.755 -12.955 112 HD2 PHE 15 HD2 PHE 15 -1.526 -0.013 -9.804 113 HE1 PHE 15 HE1 PHE 15 0.454 1.019 -14.193 114 HE2 PHE 15 HE2 PHE 15 -0.298 -1.751 -11.035 115 HZ PHE 15 HZ PHE 15 0.693 -1.239 -13.231 116 H ARG 16 H ARG 16 -4.510 1.110 -12.665 117 HA ARG 16 HA ARG 16 -5.683 -0.648 -10.618 118 HB2 ARG 16 2HB ARG 16 -6.307 -0.421 -13.563 119 HB3 ARG 16 1HB ARG 16 -7.080 -1.544 -12.458 120 HG2 ARG 16 2HG ARG 16 -7.939 0.391 -11.159 121 HG3 ARG 16 1HG ARG 16 -7.253 1.468 -12.378 122 HD2 ARG 16 2HD ARG 16 -9.638 1.071 -12.778 123 HD3 ARG 16 1HD ARG 16 -8.649 0.436 -14.096 124 HE ARG 16 HE ARG 16 -9.424 -1.427 -11.999 125 HH11 ARG 16 1HH1 ARG 16 -10.011 -0.232 -15.173 126 HH12 ARG 16 2HH1 ARG 16 -10.887 -1.643 -15.655 127 HH21 ARG 16 1HH2 ARG 16 -10.560 -3.197 -12.596 128 HH22 ARG 16 2HH2 ARG 16 -11.212 -3.307 -14.195 129 H ARG 17 H ARG 17 -3.940 -1.973 -10.106 130 HA ARG 17 HA ARG 17 -3.092 -4.082 -10.121 131 HB2 ARG 17 2HB ARG 17 -4.906 -4.258 -12.512 132 HB3 ARG 17 1HB ARG 17 -3.976 -5.636 -11.947 133 HG2 ARG 17 2HG ARG 17 -5.172 -5.760 -9.925 134 HG3 ARG 17 1HG ARG 17 -5.852 -4.143 -10.133 135 HD2 ARG 17 2HD ARG 17 -7.308 -6.268 -10.628 136 HD3 ARG 17 1HD ARG 17 -7.420 -4.848 -11.669 137 HE ARG 17 HE ARG 17 -5.458 -6.629 -12.658 138 HH11 ARG 17 1HH1 ARG 17 -8.884 -6.360 -12.343 139 HH12 ARG 17 2HH1 ARG 17 -9.185 -7.221 -13.812 140 HH21 ARG 17 1HH2 ARG 17 -5.857 -7.712 -14.530 141 HH22 ARG 17 2HH2 ARG 17 -7.493 -7.996 -15.027 142 H GLU 18 H GLU 18 -1.146 -4.923 -10.634 143 HA GLU 18 HA GLU 18 -0.138 -4.670 -13.396 144 HB2 GLU 18 2HB GLU 18 1.227 -5.604 -10.853 145 HB3 GLU 18 1HB GLU 18 1.973 -5.648 -12.443 146 HG2 GLU 18 2HG GLU 18 1.685 -3.165 -12.566 147 HG3 GLU 18 1HG GLU 18 1.130 -3.205 -10.892 148 H ARG 19 H ARG 19 -0.496 -7.117 -10.808 149 HA ARG 19 HA ARG 19 -1.037 -9.233 -12.754 150 HB2 ARG 19 2HB ARG 19 -1.226 -9.261 -9.724 151 HB3 ARG 19 1HB ARG 19 -1.345 -10.662 -10.772 152 HG2 ARG 19 2HG ARG 19 1.114 -8.943 -10.503 153 HG3 ARG 19 1HG ARG 19 0.829 -10.435 -9.612 154 HD2 ARG 19 2HD ARG 19 0.476 -11.454 -12.004 155 HD3 ARG 19 1HD ARG 19 1.398 -10.041 -12.525 156 HE ARG 19 HE ARG 19 2.423 -11.919 -10.496 157 HH11 ARG 19 1HH1 ARG 19 2.836 -10.175 -13.435 158 HH12 ARG 19 2HH1 ARG 19 4.494 -10.631 -13.592 159 HH21 ARG 19 1HH2 ARG 19 4.534 -12.516 -10.730 160 HH22 ARG 19 2HH2 ARG 19 5.440 -11.961 -12.093 161 HA PRO 20 HA PRO 20 -5.497 -8.752 -12.644 162 HB2 PRO 20 2HB PRO 20 -6.375 -11.350 -12.524 163 HB3 PRO 20 1HB PRO 20 -5.757 -10.590 -13.995 164 HG2 PRO 20 2HG PRO 20 -4.339 -12.383 -12.049 165 HG3 PRO 20 1HG PRO 20 -4.308 -12.413 -13.825 166 HD2 PRO 20 2HD PRO 20 -2.305 -11.319 -12.391 167 HD3 PRO 20 1HD PRO 20 -2.812 -10.638 -13.952 168 H GLU 21 H GLU 21 -3.788 -10.051 -10.023 169 HA GLU 21 HA GLU 21 -6.143 -10.407 -8.314 170 HB2 GLU 21 2HB GLU 21 -4.320 -12.119 -8.361 171 HB3 GLU 21 1HB GLU 21 -3.224 -10.918 -7.691 172 HG2 GLU 21 2HG GLU 21 -4.755 -10.752 -5.709 173 HG3 GLU 21 1HG GLU 21 -5.658 -12.114 -6.371 174 H ASP 22 H ASP 22 -3.749 -8.057 -9.003 175 HA ASP 22 HA ASP 22 -3.234 -6.974 -6.469 176 HB2 ASP 22 2HB ASP 22 -3.149 -5.617 -9.167 177 HB3 ASP 22 1HB ASP 22 -2.427 -4.983 -7.692 178 H LEU 23 H LEU 23 -3.679 -4.536 -6.059 179 HA LEU 23 HA LEU 23 -6.600 -4.261 -5.891 180 HB2 LEU 23 2HB LEU 23 -5.250 -4.300 -3.810 181 HB3 LEU 23 1HB LEU 23 -4.410 -2.858 -4.346 182 HG LEU 23 HG LEU 23 -6.515 -1.583 -4.236 183 HD11 LEU 23 1HD1 LEU 23 -8.502 -2.573 -3.194 184 HD12 LEU 23 2HD1 LEU 23 -7.702 -4.146 -3.158 185 HD13 LEU 23 3HD1 LEU 23 -8.090 -3.386 -4.704 186 HD21 LEU 23 3HD2 LEU 23 -5.816 -3.088 -1.712 187 HD22 LEU 23 1HD2 LEU 23 -6.744 -1.591 -1.782 188 HD23 LEU 23 2HD2 LEU 23 -5.058 -1.605 -2.295 189 H GLU 24 H GLU 24 -7.618 -2.222 -6.289 190 HA GLU 24 HA GLU 24 -6.283 -0.681 -8.402 191 HB2 GLU 24 2HB GLU 24 -9.211 -0.659 -7.614 192 HB3 GLU 24 1HB GLU 24 -8.503 0.034 -9.069 193 HG2 GLU 24 2HG GLU 24 -7.844 -2.224 -9.803 194 HG3 GLU 24 1HG GLU 24 -8.612 -2.899 -8.371 195 H LEU 25 H LEU 25 -5.668 1.392 -8.134 196 HA LEU 25 HA LEU 25 -6.160 2.625 -5.504 197 HB2 LEU 25 2HB LEU 25 -3.988 3.222 -7.518 198 HB3 LEU 25 1HB LEU 25 -4.108 3.883 -5.897 199 HG LEU 25 HG LEU 25 -3.596 0.987 -6.610 200 HD11 LEU 25 1HD1 LEU 25 -1.400 1.344 -5.642 201 HD12 LEU 25 2HD1 LEU 25 -1.803 3.025 -5.289 202 HD13 LEU 25 3HD1 LEU 25 -1.672 2.483 -6.963 203 HD21 LEU 25 3HD2 LEU 25 -3.844 2.302 -3.900 204 HD22 LEU 25 1HD2 LEU 25 -3.311 0.646 -4.191 205 HD23 LEU 25 2HD2 LEU 25 -4.956 1.125 -4.600 206 H LEU 26 H LEU 26 -6.667 4.816 -5.284 207 HA LEU 26 HA LEU 26 -7.677 6.196 -7.706 208 HB2 LEU 26 2HB LEU 26 -8.828 6.049 -4.917 209 HB3 LEU 26 1HB LEU 26 -9.244 7.360 -6.000 210 HG LEU 26 HG LEU 26 -10.993 5.720 -6.055 211 HD11 LEU 26 1HD1 LEU 26 -11.079 5.201 -8.434 212 HD12 LEU 26 2HD1 LEU 26 -9.355 5.542 -8.585 213 HD13 LEU 26 3HD1 LEU 26 -10.477 6.836 -8.163 214 HD21 LEU 26 3HD2 LEU 26 -10.659 3.415 -6.724 215 HD22 LEU 26 1HD2 LEU 26 -9.689 3.780 -5.297 216 HD23 LEU 26 2HD2 LEU 26 -8.923 3.685 -6.883 217 HA PRO 27 HA PRO 27 -5.021 9.579 -6.546 218 HB2 PRO 27 2HB PRO 27 -6.385 11.757 -7.430 219 HB3 PRO 27 1HB PRO 27 -5.612 10.606 -8.527 220 HG2 PRO 27 2HG PRO 27 -8.492 10.805 -7.716 221 HG3 PRO 27 1HG PRO 27 -7.798 10.525 -9.325 222 HD2 PRO 27 2HD PRO 27 -8.793 8.519 -7.769 223 HD3 PRO 27 1HD PRO 27 -7.470 8.272 -8.927 224 H GLY 28 H GLY 28 -4.897 9.705 -4.332 225 HA2 GLY 28 2HA GLY 28 -5.099 10.975 -2.368 226 HA3 GLY 28 1HA GLY 28 -6.534 11.739 -3.026 227 H ASP 29 H ASP 29 -5.730 8.306 -2.450 228 HA ASP 29 HA ASP 29 -8.154 8.089 -0.788 229 HB2 ASP 29 2HB ASP 29 -7.976 5.627 -1.243 230 HB3 ASP 29 1HB ASP 29 -8.264 6.611 -2.671 231 H VAL 30 H VAL 30 -7.916 6.189 0.894 232 HA VAL 30 HA VAL 30 -5.320 6.462 2.289 233 HB VAL 30 HB VAL 30 -8.044 6.255 3.607 234 HG11 VAL 30 1HG1 VAL 30 -6.293 5.159 4.914 235 HG12 VAL 30 2HG1 VAL 30 -6.811 6.649 5.702 236 HG13 VAL 30 3HG1 VAL 30 -5.289 6.607 4.811 237 HG21 VAL 30 3HG2 VAL 30 -7.621 8.564 4.358 238 HG22 VAL 30 1HG2 VAL 30 -7.717 8.448 2.601 239 HG23 VAL 30 2HG2 VAL 30 -6.147 8.598 3.390 240 H LEU 31 H LEU 31 -4.296 4.549 2.225 241 HA LEU 31 HA LEU 31 -5.868 2.059 2.372 242 HB2 LEU 31 2HB LEU 31 -2.989 2.462 1.531 243 HB3 LEU 31 1HB LEU 31 -3.847 0.933 1.533 244 HG LEU 31 HG LEU 31 -5.461 2.026 -0.143 245 HD11 LEU 31 1HD1 LEU 31 -3.167 3.975 -0.380 246 HD12 LEU 31 2HD1 LEU 31 -4.794 4.342 0.195 247 HD13 LEU 31 3HD1 LEU 31 -4.541 3.852 -1.481 248 HD21 LEU 31 3HD2 LEU 31 -2.598 1.503 -0.942 249 HD22 LEU 31 1HD2 LEU 31 -3.990 1.507 -2.027 250 HD23 LEU 31 2HD2 LEU 31 -3.869 0.294 -0.755 251 H VAL 32 H VAL 32 -5.762 0.788 4.147 252 HA VAL 32 HA VAL 32 -3.762 1.436 6.216 253 HB VAL 32 HB VAL 32 -6.315 -0.177 6.487 254 HG11 VAL 32 1HG1 VAL 32 -4.596 -0.832 8.113 255 HG12 VAL 32 2HG1 VAL 32 -5.943 -0.006 8.898 256 HG13 VAL 32 3HG1 VAL 32 -4.426 0.852 8.615 257 HG21 VAL 32 3HG2 VAL 32 -6.790 2.171 6.017 258 HG22 VAL 32 1HG2 VAL 32 -5.720 2.668 7.330 259 HG23 VAL 32 2HG2 VAL 32 -7.201 1.776 7.685 260 H VAL 33 H VAL 33 -1.995 0.201 6.108 261 HA VAL 33 HA VAL 33 -2.195 -2.635 5.336 262 HB VAL 33 HB VAL 33 0.269 -0.890 5.610 263 HG11 VAL 33 1HG1 VAL 33 0.820 -3.216 5.998 264 HG12 VAL 33 2HG1 VAL 33 1.417 -2.733 4.411 265 HG13 VAL 33 3HG1 VAL 33 -0.051 -3.701 4.543 266 HG21 VAL 33 3HG2 VAL 33 -1.154 -0.170 3.757 267 HG22 VAL 33 1HG2 VAL 33 -1.188 -1.816 3.127 268 HG23 VAL 33 2HG2 VAL 33 0.328 -0.914 3.157 269 H SER 34 H SER 34 -1.939 -4.221 6.821 270 HA SER 34 HA SER 34 -1.663 -3.584 9.596 271 HB2 SER 34 2HB SER 34 -1.774 -6.049 9.944 272 HB3 SER 34 1HB SER 34 -3.080 -5.441 8.930 273 HG SER 34 HG SER 34 -2.426 -6.733 7.428 274 H ARG 35 H ARG 35 0.020 -3.923 11.006 275 HA ARG 35 HA ARG 35 2.652 -3.752 10.137 276 HB2 ARG 35 2HB ARG 35 3.268 -4.471 12.483 277 HB3 ARG 35 1HB ARG 35 2.176 -3.099 12.361 278 HG2 ARG 35 2HG ARG 35 0.278 -4.537 12.897 279 HG3 ARG 35 1HG ARG 35 1.348 -5.938 12.976 280 HD2 ARG 35 2HD ARG 35 2.513 -5.020 14.869 281 HD3 ARG 35 1HD ARG 35 1.655 -3.489 14.719 282 HE ARG 35 HE ARG 35 -0.355 -5.219 15.123 283 HH11 ARG 35 1HH1 ARG 35 2.636 -4.782 16.782 284 HH12 ARG 35 2HH1 ARG 35 1.982 -5.262 18.310 285 HH21 ARG 35 1HH2 ARG 35 -1.192 -5.799 17.096 286 HH22 ARG 35 2HH2 ARG 35 -0.162 -5.814 18.486 287 H ALA 36 H ALA 36 0.769 -6.650 10.872 288 HA ALA 36 HA ALA 36 2.812 -8.563 10.739 289 HB1 ALA 36 3HB ALA 36 -0.088 -8.865 9.951 290 HB2 ALA 36 1HB ALA 36 0.570 -9.056 11.576 291 HB3 ALA 36 2HB ALA 36 1.031 -10.183 10.298 292 H ALA 37 H ALA 37 1.016 -6.946 8.177 293 HA ALA 37 HA ALA 37 1.742 -8.668 6.046 294 HB1 ALA 37 3HB ALA 37 0.994 -6.870 4.573 295 HB2 ALA 37 1HB ALA 37 0.978 -5.746 5.934 296 HB3 ALA 37 2HB ALA 37 -0.145 -7.106 5.901 297 H LEU 38 H LEU 38 3.094 -5.512 7.062 298 HA LEU 38 HA LEU 38 5.162 -5.315 5.212 299 HB2 LEU 38 2HB LEU 38 5.143 -4.409 8.098 300 HB3 LEU 38 1HB LEU 38 6.312 -3.891 6.897 301 HG LEU 38 HG LEU 38 3.336 -3.357 6.773 302 HD11 LEU 38 1HD1 LEU 38 5.618 -1.497 7.444 303 HD12 LEU 38 2HD1 LEU 38 4.408 -2.106 8.574 304 HD13 LEU 38 3HD1 LEU 38 3.925 -1.037 7.257 305 HD21 LEU 38 3HD2 LEU 38 5.588 -2.381 5.010 306 HD22 LEU 38 1HD2 LEU 38 3.909 -1.848 4.924 307 HD23 LEU 38 2HD2 LEU 38 4.323 -3.521 4.552 308 H GLN 39 H GLN 39 5.171 -6.950 8.367 309 HA GLN 39 HA GLN 39 7.886 -7.797 8.234 310 HB2 GLN 39 2HB GLN 39 5.587 -8.920 9.850 311 HB3 GLN 39 1HB GLN 39 7.287 -9.303 10.100 312 HG2 GLN 39 2HG GLN 39 7.704 -6.892 10.554 313 HG3 GLN 39 1HG GLN 39 5.966 -6.617 10.449 314 HE21 GLN 39 1HE2 GLN 39 5.848 -5.915 12.576 315 HE22 GLN 39 2HE2 GLN 39 5.986 -7.000 13.914 316 H ALA 40 H ALA 40 4.852 -9.255 7.167 317 HA ALA 40 HA ALA 40 5.906 -11.805 6.477 318 HB1 ALA 40 3HB ALA 40 3.506 -11.427 6.739 319 HB2 ALA 40 1HB ALA 40 3.866 -12.072 5.137 320 HB3 ALA 40 2HB ALA 40 3.509 -10.356 5.339 321 H LEU 41 H LEU 41 6.001 -8.705 4.935 322 HA LEU 41 HA LEU 41 6.945 -9.722 2.380 323 HB2 LEU 41 2HB LEU 41 6.826 -6.905 3.479 324 HB3 LEU 41 1HB LEU 41 7.231 -7.326 1.825 325 HG LEU 41 HG LEU 41 4.562 -7.921 3.118 326 HD11 LEU 41 1HD1 LEU 41 3.680 -6.055 1.836 327 HD12 LEU 41 2HD1 LEU 41 5.292 -5.690 1.221 328 HD13 LEU 41 3HD1 LEU 41 4.942 -5.503 2.940 329 HD21 LEU 41 3HD2 LEU 41 5.455 -8.046 0.232 330 HD22 LEU 41 1HD2 LEU 41 3.820 -8.346 0.826 331 HD23 LEU 41 2HD2 LEU 41 5.135 -9.429 1.282 332 H GLY 42 H GLY 42 8.323 -9.201 5.397 333 HA2 GLY 42 2HA GLY 42 10.501 -9.282 6.134 334 HA3 GLY 42 1HA GLY 42 10.992 -9.616 4.483 335 H VAL 43 H VAL 43 9.205 -6.739 5.479 336 HA VAL 43 HA VAL 43 11.093 -4.997 4.239 337 HB VAL 43 HB VAL 43 8.824 -4.315 6.127 338 HG11 VAL 43 1HG1 VAL 43 8.942 -2.061 5.132 339 HG12 VAL 43 2HG1 VAL 43 10.381 -2.543 4.233 340 HG13 VAL 43 3HG1 VAL 43 10.421 -2.482 5.995 341 HG21 VAL 43 3HG2 VAL 43 7.545 -3.818 4.098 342 HG22 VAL 43 1HG2 VAL 43 8.059 -5.506 4.126 343 HG23 VAL 43 2HG2 VAL 43 8.905 -4.341 3.105 344 H ALA 44 H ALA 44 12.754 -3.842 5.073 345 HA ALA 44 HA ALA 44 13.670 -4.462 7.748 346 HB1 ALA 44 3HB ALA 44 14.902 -2.689 5.632 347 HB2 ALA 44 1HB ALA 44 15.259 -4.396 5.892 348 HB3 ALA 44 2HB ALA 44 15.677 -3.210 7.128 349 H GLU 45 H GLU 45 13.462 -3.235 9.511 350 HA GLU 45 HA GLU 45 11.756 -1.100 9.800 351 HB2 GLU 45 2HB GLU 45 12.786 -2.520 11.610 352 HB3 GLU 45 1HB GLU 45 14.248 -1.560 11.464 353 HG2 GLU 45 2HG GLU 45 11.560 -0.390 12.166 354 HG3 GLU 45 1HG GLU 45 12.704 -0.974 13.368 355 H GLY 46 H GLY 46 11.791 0.892 8.978 356 HA2 GLY 46 2HA GLY 46 12.906 3.065 8.860 357 HA3 GLY 46 1HA GLY 46 14.407 2.217 8.526 358 H GLY 47 H GLY 47 12.009 0.636 6.860 359 HA2 GLY 47 2HA GLY 47 12.633 2.138 4.380 360 HA3 GLY 47 1HA GLY 47 12.247 0.426 4.453 361 H GLU 48 H GLU 48 10.203 2.066 6.521 362 HA GLU 48 HA GLU 48 7.878 1.463 5.094 363 HB2 GLU 48 2HB GLU 48 8.212 3.513 7.300 364 HB3 GLU 48 1HB GLU 48 6.678 2.872 6.736 365 HG2 GLU 48 2HG GLU 48 7.089 1.673 8.679 366 HG3 GLU 48 1HG GLU 48 7.600 0.573 7.404 367 H ARG 49 H ARG 49 9.854 4.350 5.021 368 HA ARG 49 HA ARG 49 7.908 5.956 3.608 369 HB2 ARG 49 2HB ARG 49 10.834 6.348 4.246 370 HB3 ARG 49 1HB ARG 49 9.900 7.518 3.325 371 HG2 ARG 49 2HG ARG 49 8.445 7.922 5.193 372 HG3 ARG 49 1HG ARG 49 9.195 6.615 6.114 373 HD2 ARG 49 2HD ARG 49 10.640 9.095 5.163 374 HD3 ARG 49 1HD ARG 49 9.969 8.886 6.782 375 HE ARG 49 HE ARG 49 11.515 6.868 6.875 376 HH11 ARG 49 1HH1 ARG 49 12.278 9.744 5.122 377 HH12 ARG 49 2HH1 ARG 49 13.983 9.474 5.225 378 HH21 ARG 49 1HH2 ARG 49 13.708 6.578 7.023 379 HH22 ARG 49 2HH2 ARG 49 14.776 7.727 6.301 380 H CYS 50 H CYS 50 9.740 3.389 2.594 381 HA CYS 50 HA CYS 50 9.820 4.400 -0.181 382 HB2 CYS 50 2HB CYS 50 11.900 2.636 1.139 383 HB3 CYS 50 1HB CYS 50 11.875 3.070 -0.567 384 HG CYS 50 HG CYS 50 13.856 4.504 0.941 385 HA PRO 51 HA PRO 51 7.360 0.377 0.225 386 HB2 PRO 51 2HB PRO 51 5.165 1.281 -1.145 387 HB3 PRO 51 1HB PRO 51 5.351 1.431 0.606 388 HG2 PRO 51 2HG PRO 51 5.861 3.466 -1.534 389 HG3 PRO 51 1HG PRO 51 5.039 3.665 0.027 390 HD2 PRO 51 2HD PRO 51 7.594 4.438 -0.341 391 HD3 PRO 51 1HD PRO 51 7.034 3.768 1.208 392 H GLN 52 H GLN 52 8.194 2.567 -2.343 393 HA GLN 52 HA GLN 52 7.624 0.977 -4.590 394 HB2 GLN 52 2HB GLN 52 9.255 2.417 -5.762 395 HB3 GLN 52 1HB GLN 52 8.118 3.341 -4.788 396 HG2 GLN 52 2HG GLN 52 9.826 3.548 -3.023 397 HG3 GLN 52 1HG GLN 52 10.965 2.671 -4.044 398 HE21 GLN 52 1HE2 GLN 52 12.399 4.396 -4.131 399 HE22 GLN 52 2HE2 GLN 52 12.066 5.828 -5.035 400 H SER 53 H SER 53 10.130 0.707 -2.224 401 HA SER 53 HA SER 53 11.857 -0.944 -3.893 402 HB2 SER 53 2HB SER 53 12.882 0.579 -2.258 403 HB3 SER 53 1HB SER 53 12.045 -0.250 -0.946 404 HG SER 53 HG SER 53 13.791 -1.624 -2.711 405 H VAL 54 H VAL 54 9.041 -1.502 -2.240 406 HA VAL 54 HA VAL 54 9.757 -4.221 -1.386 407 HB VAL 54 HB VAL 54 7.171 -2.695 -0.962 408 HG11 VAL 54 1HG1 VAL 54 6.656 -4.432 0.688 409 HG12 VAL 54 2HG1 VAL 54 8.139 -5.286 0.256 410 HG13 VAL 54 3HG1 VAL 54 6.842 -5.112 -0.928 411 HG21 VAL 54 3HG2 VAL 54 9.041 -1.639 0.211 412 HG22 VAL 54 1HG2 VAL 54 9.461 -3.183 0.954 413 HG23 VAL 54 2HG2 VAL 54 7.929 -2.399 1.352 414 H GLY 55 H GLY 55 7.188 -2.607 -3.284 415 HA2 GLY 55 2HA GLY 55 6.740 -3.514 -5.550 416 HA3 GLY 55 1HA GLY 55 6.861 -5.114 -4.834 417 H TRP 56 H TRP 56 4.938 -6.066 -4.584 418 HA TRP 56 HA TRP 56 2.520 -4.435 -4.310 419 HB2 TRP 56 2HB TRP 56 2.820 -7.439 -4.608 420 HB3 TRP 56 1HB TRP 56 1.299 -6.552 -4.626 421 HD1 TRP 56 HD1 TRP 56 1.710 -4.318 -6.644 422 HE1 TRP 56 HE1 TRP 56 2.213 -4.778 -9.120 423 HE3 TRP 56 HE3 TRP 56 3.539 -9.079 -6.234 424 HZ2 TRP 56 HZ2 TRP 56 3.244 -6.877 -10.699 425 HZ3 TRP 56 HZ3 TRP 56 4.261 -10.243 -8.280 426 HH2 TRP 56 HH2 TRP 56 4.115 -9.164 -10.466 427 H MET 57 H MET 57 1.968 -3.835 -2.295 428 HA MET 57 HA MET 57 2.601 -5.636 -0.050 429 HB2 MET 57 2HB MET 57 1.832 -2.709 0.031 430 HB3 MET 57 1HB MET 57 2.351 -3.685 1.398 431 HG2 MET 57 2HG MET 57 4.534 -4.024 0.194 432 HG3 MET 57 1HG MET 57 3.992 -2.812 -0.967 433 HE1 MET 57 3HE MET 57 2.325 -0.915 1.132 434 HE2 MET 57 1HE MET 57 3.300 -0.305 -0.203 435 HE3 MET 57 2HE MET 57 3.553 0.312 1.431 436 HA PRO 58 HA PRO 58 -1.783 -6.580 0.362 437 HB2 PRO 58 2HB PRO 58 -1.061 -7.446 3.095 438 HB3 PRO 58 1HB PRO 58 -1.746 -8.387 1.765 439 HG2 PRO 58 2HG PRO 58 0.798 -8.724 2.557 440 HG3 PRO 58 1HG PRO 58 0.332 -8.855 0.850 441 HD2 PRO 58 2HD PRO 58 1.629 -6.564 2.293 442 HD3 PRO 58 1HD PRO 58 2.002 -7.242 0.693 443 H GLY 59 H GLY 59 -3.200 -4.943 0.729 444 HA2 GLY 59 2HA GLY 59 -3.338 -3.754 3.393 445 HA3 GLY 59 1HA GLY 59 -2.973 -2.647 2.078 446 H LEU 60 H LEU 60 -5.173 -2.203 3.595 447 HA LEU 60 HA LEU 60 -7.431 -3.024 1.871 448 HB2 LEU 60 2HB LEU 60 -7.548 -3.692 4.274 449 HB3 LEU 60 1HB LEU 60 -7.512 -1.997 4.718 450 HG LEU 60 HG LEU 60 -9.656 -1.649 3.525 451 HD11 LEU 60 1HD1 LEU 60 -9.453 -3.426 1.868 452 HD12 LEU 60 2HD1 LEU 60 -10.956 -3.579 2.776 453 HD13 LEU 60 3HD1 LEU 60 -9.597 -4.645 3.137 454 HD21 LEU 60 3HD2 LEU 60 -9.675 -2.120 5.919 455 HD22 LEU 60 1HD2 LEU 60 -9.723 -3.854 5.589 456 HD23 LEU 60 2HD2 LEU 60 -11.082 -2.830 5.129 457 H ASN 61 H ASN 61 -8.000 -1.479 0.460 458 HA ASN 61 HA ASN 61 -7.217 1.282 0.873 459 HB2 ASN 61 2HB ASN 61 -7.064 0.156 -1.351 460 HB3 ASN 61 1HB ASN 61 -8.821 0.071 -1.396 461 HD21 ASN 61 1HD2 ASN 61 -6.965 1.432 -3.195 462 HD22 ASN 61 2HD2 ASN 61 -7.414 3.098 -3.181 463 H GLU 62 H GLU 62 -8.426 2.423 2.287 464 HA GLU 62 HA GLU 62 -11.145 1.845 2.863 465 HB2 GLU 62 2HB GLU 62 -9.335 4.117 3.663 466 HB3 GLU 62 1HB GLU 62 -10.991 3.974 4.236 467 HG2 GLU 62 2HG GLU 62 -8.889 1.852 4.625 468 HG3 GLU 62 1HG GLU 62 -9.270 3.101 5.809 469 H ARG 63 H ARG 63 -9.965 3.440 0.191 470 HA ARG 63 HA ARG 63 -12.154 5.316 -0.084 471 HB2 ARG 63 2HB ARG 63 -10.044 5.783 -1.220 472 HB3 ARG 63 1HB ARG 63 -10.160 4.273 -2.109 473 HG2 ARG 63 2HG ARG 63 -10.759 6.011 -3.604 474 HG3 ARG 63 1HG ARG 63 -12.241 5.155 -3.191 475 HD2 ARG 63 2HD ARG 63 -11.360 7.714 -1.858 476 HD3 ARG 63 1HD ARG 63 -12.418 7.664 -3.265 477 HE ARG 63 HE ARG 63 -13.290 6.141 -0.951 478 HH11 ARG 63 1HH1 ARG 63 -13.535 9.085 -2.726 479 HH12 ARG 63 2HH1 ARG 63 -15.054 9.495 -2.013 480 HH21 ARG 63 1HH2 ARG 63 -15.213 6.703 -0.042 481 HH22 ARG 63 2HH2 ARG 63 -15.991 8.171 -0.521 482 H THR 64 H THR 64 -11.328 2.114 -1.378 483 HA THR 64 HA THR 64 -14.083 1.834 -2.422 484 HB THR 64 HB THR 64 -13.233 -0.032 -3.776 485 HG1 THR 64 HG1 THR 64 -10.789 -0.139 -3.795 486 HG21 THR 64 3HG2 THR 64 -13.152 2.241 -4.715 487 HG22 THR 64 1HG2 THR 64 -11.815 1.255 -5.310 488 HG23 THR 64 2HG2 THR 64 -11.533 2.459 -4.052 489 H ARG 65 H ARG 65 -12.228 1.015 0.192 490 HA ARG 65 HA ARG 65 -12.310 -0.459 1.900 491 HB2 ARG 65 2HB ARG 65 -15.111 -1.110 0.956 492 HB3 ARG 65 1HB ARG 65 -14.461 -1.334 2.574 493 HG2 ARG 65 2HG ARG 65 -15.040 1.282 1.189 494 HG3 ARG 65 1HG ARG 65 -15.898 0.587 2.563 495 HD2 ARG 65 2HD ARG 65 -13.030 1.546 2.546 496 HD3 ARG 65 1HD ARG 65 -14.399 2.392 3.257 497 HE ARG 65 HE ARG 65 -12.973 0.128 4.360 498 HH11 ARG 65 1HH1 ARG 65 -15.795 2.101 4.518 499 HH12 ARG 65 2HH1 ARG 65 -16.141 1.664 6.151 500 HH21 ARG 65 1HH2 ARG 65 -13.425 -0.402 6.470 501 HH22 ARG 65 2HH2 ARG 65 -14.812 0.282 7.245 502 H GLN 66 H GLN 66 -11.590 -1.386 -0.909 503 HA GLN 66 HA GLN 66 -12.206 -4.249 -0.766 504 HB2 GLN 66 2HB GLN 66 -10.862 -2.602 -2.921 505 HB3 GLN 66 1HB GLN 66 -11.142 -4.335 -3.026 506 HG2 GLN 66 2HG GLN 66 -13.299 -2.243 -2.755 507 HG3 GLN 66 1HG GLN 66 -12.806 -3.010 -4.264 508 HE21 GLN 66 1HE2 GLN 66 -13.364 -5.160 -4.629 509 HE22 GLN 66 2HE2 GLN 66 -14.568 -5.968 -3.696 510 H ARG 67 H ARG 67 -10.649 -5.861 -0.680 511 HA ARG 67 HA ARG 67 -8.106 -5.056 0.561 512 HB2 ARG 67 2HB ARG 67 -9.623 -6.616 1.760 513 HB3 ARG 67 1HB ARG 67 -9.462 -7.761 0.440 514 HG2 ARG 67 2HG ARG 67 -8.025 -8.521 2.130 515 HG3 ARG 67 1HG ARG 67 -6.977 -7.772 0.925 516 HD2 ARG 67 2HD ARG 67 -6.296 -7.157 3.183 517 HD3 ARG 67 1HD ARG 67 -6.861 -5.740 2.295 518 HE ARG 67 HE ARG 67 -9.043 -6.159 3.522 519 HH11 ARG 67 1HH1 ARG 67 -6.010 -7.086 4.862 520 HH12 ARG 67 2HH1 ARG 67 -6.542 -6.868 6.490 521 HH21 ARG 67 1HH2 ARG 67 -9.714 -5.884 5.604 522 HH22 ARG 67 2HH2 ARG 67 -8.610 -6.163 6.904 523 H GLY 68 H GLY 68 -6.105 -5.624 -0.287 524 HA2 GLY 68 2HA GLY 68 -5.519 -7.749 -1.957 525 HA3 GLY 68 1HA GLY 68 -5.964 -6.435 -3.035 526 H ASP 69 H ASP 69 -3.554 -7.314 -3.458 527 HA ASP 69 HA ASP 69 -1.584 -5.819 -1.917 528 HB2 ASP 69 2HB ASP 69 -1.233 -7.576 -4.363 529 HB3 ASP 69 1HB ASP 69 0.064 -6.930 -3.363 530 H PHE 70 H PHE 70 -0.799 -3.848 -2.516 531 HA PHE 70 HA PHE 70 -1.437 -2.902 -5.242 532 HB2 PHE 70 2HB PHE 70 -1.647 -0.630 -4.338 533 HB3 PHE 70 1HB PHE 70 -2.780 -1.732 -3.566 534 HD1 PHE 70 HD1 PHE 70 -2.389 -2.480 -1.236 535 HD2 PHE 70 HD2 PHE 70 0.062 0.476 -3.086 536 HE1 PHE 70 HE1 PHE 70 -1.562 -1.781 0.972 537 HE2 PHE 70 HE2 PHE 70 0.892 1.171 -0.879 538 HZ PHE 70 HZ PHE 70 0.080 0.044 1.152 539 HA PRO 71 HA PRO 71 2.944 -2.236 -5.826 540 HB2 PRO 71 2HB PRO 71 2.819 -0.427 -7.870 541 HB3 PRO 71 1HB PRO 71 2.533 -2.157 -8.090 542 HG2 PRO 71 2HG PRO 71 0.549 0.069 -7.781 543 HG3 PRO 71 1HG PRO 71 0.532 -1.296 -8.914 544 HD2 PRO 71 2HD PRO 71 -0.961 -1.286 -6.657 545 HD3 PRO 71 1HD PRO 71 -0.260 -2.779 -7.316 546 H GLY 72 H GLY 72 4.032 -1.121 -4.305 547 HA2 GLY 72 2HA GLY 72 3.074 1.355 -3.225 548 HA3 GLY 72 1HA GLY 72 4.544 0.520 -2.769 549 H THR 73 H THR 73 4.134 1.386 -6.131 550 HA THR 73 HA THR 73 6.301 3.344 -5.857 551 HB THR 73 HB THR 73 6.484 3.269 -8.291 552 HG1 THR 73 HG1 THR 73 5.071 2.048 -9.524 553 HG21 THR 73 3HG2 THR 73 6.222 0.495 -7.112 554 HG22 THR 73 1HG2 THR 73 7.650 1.526 -7.019 555 HG23 THR 73 2HG2 THR 73 7.106 0.910 -8.580 556 H TYR 74 H TYR 74 2.890 3.273 -6.262 557 HA TYR 74 HA TYR 74 2.852 6.053 -7.261 558 HB2 TYR 74 2HB TYR 74 0.571 4.060 -7.196 559 HB3 TYR 74 1HB TYR 74 0.575 5.632 -7.994 560 HD1 TYR 74 HD2 TYR 74 2.316 5.973 -9.880 561 HD2 TYR 74 HD1 TYR 74 1.210 2.142 -8.384 562 HE1 TYR 74 HE2 TYR 74 3.175 4.927 -11.932 563 HE2 TYR 74 HE1 TYR 74 2.074 1.088 -10.428 564 HH TYR 74 HH TYR 74 2.489 1.799 -12.841 565 H VAL 75 H VAL 75 2.995 4.739 -4.363 566 HA VAL 75 HA VAL 75 0.890 6.452 -3.186 567 HB VAL 75 HB VAL 75 0.650 4.886 -1.336 568 HG11 VAL 75 1HG1 VAL 75 0.396 3.496 -4.010 569 HG12 VAL 75 2HG1 VAL 75 -0.799 4.567 -3.277 570 HG13 VAL 75 3HG1 VAL 75 -0.420 3.021 -2.519 571 HG21 VAL 75 3HG2 VAL 75 2.895 3.985 -1.219 572 HG22 VAL 75 1HG2 VAL 75 2.701 3.202 -2.788 573 HG23 VAL 75 2HG2 VAL 75 1.746 2.663 -1.406 574 H GLU 76 H GLU 76 1.343 7.554 -1.278 575 HA GLU 76 HA GLU 76 4.162 7.617 -0.407 576 HB2 GLU 76 2HB GLU 76 3.597 9.856 0.570 577 HB3 GLU 76 1HB GLU 76 3.476 9.785 -1.183 578 HG2 GLU 76 2HG GLU 76 1.079 9.668 -1.074 579 HG3 GLU 76 1HG GLU 76 1.122 9.533 0.684 580 H PHE 77 H PHE 77 4.520 7.997 1.935 581 HA PHE 77 HA PHE 77 2.776 6.220 3.472 582 HB2 PHE 77 2HB PHE 77 5.204 5.785 3.425 583 HB3 PHE 77 1HB PHE 77 5.502 7.361 4.147 584 HD1 PHE 77 HD2 PHE 77 3.098 4.599 4.952 585 HD2 PHE 77 HD1 PHE 77 6.290 7.083 6.300 586 HE1 PHE 77 HE2 PHE 77 2.963 3.568 7.178 587 HE2 PHE 77 HE1 PHE 77 6.149 6.052 8.529 588 HZ PHE 77 HZ PHE 77 4.484 4.295 8.970 589 H LEU 78 H LEU 78 1.185 7.079 4.667 590 HA LEU 78 HA LEU 78 1.264 9.860 5.498 591 HB2 LEU 78 2HB LEU 78 -0.837 7.737 5.970 592 HB3 LEU 78 1HB LEU 78 -1.018 9.446 6.324 593 HG LEU 78 HG LEU 78 -0.669 8.242 3.566 594 HD11 LEU 78 1HD1 LEU 78 -3.086 9.495 4.871 595 HD12 LEU 78 2HD1 LEU 78 -2.860 7.779 4.534 596 HD13 LEU 78 3HD1 LEU 78 -2.981 8.928 3.204 597 HD21 LEU 78 3HD2 LEU 78 -1.110 10.507 2.738 598 HD22 LEU 78 1HD2 LEU 78 0.358 10.453 3.716 599 HD23 LEU 78 2HD2 LEU 78 -1.131 11.113 4.394 600 H GLY 79 H GLY 79 1.170 6.677 7.105 601 HA2 GLY 79 2HA GLY 79 2.806 6.572 9.028 602 HA3 GLY 79 1HA GLY 79 2.005 8.017 9.619 603 HA PRO 80 HA PRO 80 0.042 4.115 11.501 604 HB2 PRO 80 2HB PRO 80 0.841 5.404 14.042 605 HB3 PRO 80 1HB PRO 80 1.059 3.734 13.513 606 HG2 PRO 80 2HG PRO 80 3.131 5.431 13.678 607 HG3 PRO 80 1HG PRO 80 3.034 4.199 12.405 608 HD2 PRO 80 2HD PRO 80 2.433 7.137 12.247 609 HD3 PRO 80 1HD PRO 80 3.300 6.101 11.092 610 H LEU 81 H LEU 81 -1.846 4.106 12.980 611 HA LEU 81 HA LEU 81 -3.358 6.617 12.711 612 HB2 LEU 81 2HB LEU 81 -4.332 3.801 13.249 613 HB3 LEU 81 1HB LEU 81 -5.365 5.211 13.100 614 HG LEU 81 HG LEU 81 -4.454 5.478 10.736 615 HD11 LEU 81 1HD1 LEU 81 -3.550 3.466 9.668 616 HD12 LEU 81 2HD1 LEU 81 -3.471 2.671 11.240 617 HD13 LEU 81 3HD1 LEU 81 -2.474 4.090 10.917 618 HD21 LEU 81 3HD2 LEU 81 -6.690 4.629 11.199 619 HD22 LEU 81 1HD2 LEU 81 -6.047 2.994 11.370 620 HD23 LEU 81 2HD2 LEU 81 -5.976 3.814 9.809 621 H GLU 82 H GLU 82 -4.630 7.440 14.449 622 HA GLU 82 HA GLU 82 -3.523 6.769 17.089 623 HB2 GLU 82 2HB GLU 82 -4.394 8.995 17.820 624 HB3 GLU 82 1HB GLU 82 -3.160 9.070 16.576 625 HG2 GLU 82 2HG GLU 82 -6.095 9.250 15.934 626 HG3 GLU 82 1HG GLU 82 -5.142 10.660 16.382
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