NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20269 | 2fek | 6934 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -3.947 10.778 -14.774 2 HA MET 1 HA MET 1 -4.131 11.327 -12.456 3 1HB MET 1 1HB MET 1 -6.041 12.872 -12.660 4 2HB MET 1 2HB MET 1 -7.116 11.533 -13.065 5 1HG MET 1 1HG MET 1 -7.400 12.199 -10.758 6 2HG MET 1 2HG MET 1 -6.773 10.557 -10.828 7 1HE MET 1 1HE MET 1 -6.937 12.528 -8.271 8 2HE MET 1 2HE MET 1 -6.349 10.854 -8.136 9 3HE MET 1 3HE MET 1 -5.392 12.192 -7.470 10 H PHE 2 H PHE 2 -3.420 9.322 -11.809 11 HA PHE 2 HA PHE 2 -4.796 6.888 -12.689 12 1HB PHE 2 1HB PHE 2 -2.947 5.765 -11.444 13 2HB PHE 2 2HB PHE 2 -2.491 6.718 -12.833 14 HD1 PHE 2 HD1 PHE 2 -2.157 6.375 -9.196 15 HD2 PHE 2 HD2 PHE 2 -1.193 8.823 -12.611 16 HE1 PHE 2 HE1 PHE 2 -0.439 7.557 -7.864 17 HE2 PHE 2 HE2 PHE 2 0.514 10.018 -11.267 18 HZ PHE 2 HZ PHE 2 0.900 9.390 -8.890 19 H ASN 3 H ASN 3 -6.768 7.833 -11.616 20 HA ASN 3 HA ASN 3 -6.963 8.220 -8.837 21 1HB ASN 3 1HB ASN 3 -8.593 9.071 -10.514 22 2HB ASN 3 2HB ASN 3 -9.142 7.422 -10.811 23 1HD2 ASN 3 2HD2 ASN 3 -8.966 9.979 -8.251 24 2HD2 ASN 3 1HD2 ASN 3 -10.327 9.362 -7.341 25 H ASN 4 H ASN 4 -6.726 5.161 -10.468 26 HA ASN 4 HA ASN 4 -8.216 3.746 -8.294 27 1HB ASN 4 1HB ASN 4 -7.797 3.075 -11.230 28 2HB ASN 4 2HB ASN 4 -8.245 1.869 -10.039 29 1HD2 ASN 4 2HD2 ASN 4 -10.432 1.466 -9.917 30 2HD2 ASN 4 1HD2 ASN 4 -11.668 2.641 -10.270 31 H ILE 5 H ILE 5 -6.772 2.979 -6.834 32 HA ILE 5 HA ILE 5 -4.175 1.870 -7.822 33 HB ILE 5 HB ILE 5 -4.793 3.691 -5.481 34 1HG1 ILE 5 1HG1 ILE 5 -2.456 4.149 -7.323 35 2HG1 ILE 5 2HG1 ILE 5 -4.055 4.423 -8.011 36 1HG2 ILE 5 1HG2 ILE 5 -3.261 2.010 -4.554 37 2HG2 ILE 5 2HG2 ILE 5 -2.163 2.207 -5.934 38 3HG2 ILE 5 3HG2 ILE 5 -2.408 3.528 -4.770 39 1HD1 ILE 5 1HD1 ILE 5 -4.606 5.962 -6.219 40 2HD1 ILE 5 2HD1 ILE 5 -2.994 5.727 -5.485 41 3HD1 ILE 5 3HD1 ILE 5 -3.148 6.477 -7.087 42 H LEU 6 H LEU 6 -3.473 -0.008 -6.841 43 HA LEU 6 HA LEU 6 -5.123 -1.100 -4.582 44 1HB LEU 6 1HB LEU 6 -5.576 -2.319 -6.664 45 2HB LEU 6 2HB LEU 6 -3.852 -2.589 -6.916 46 HG LEU 6 HG LEU 6 -3.785 -3.964 -4.826 47 1HD1 LEU 6 1HD1 LEU 6 -6.003 -4.717 -3.875 48 2HD1 LEU 6 2HD1 LEU 6 -5.626 -3.030 -3.551 49 3HD1 LEU 6 3HD1 LEU 6 -6.795 -3.453 -4.826 50 1HD2 LEU 6 1HD2 LEU 6 -4.959 -5.901 -5.754 51 2HD2 LEU 6 2HD2 LEU 6 -5.907 -4.852 -6.828 52 3HD2 LEU 6 3HD2 LEU 6 -4.157 -4.999 -7.052 53 H VAL 7 H VAL 7 -3.867 -1.202 -2.776 54 HA VAL 7 HA VAL 7 -0.949 -1.129 -3.145 55 HB VAL 7 HB VAL 7 -2.334 -0.866 -0.474 56 1HG1 VAL 7 1HG1 VAL 7 0.340 0.023 -1.680 57 2HG1 VAL 7 2HG1 VAL 7 -0.216 0.483 -0.078 58 3HG1 VAL 7 3HG1 VAL 7 0.088 -1.216 -0.430 59 1HG2 VAL 7 1HG2 VAL 7 -3.375 0.882 -1.848 60 2HG2 VAL 7 2HG2 VAL 7 -2.203 1.606 -0.753 61 3HG2 VAL 7 3HG2 VAL 7 -1.784 1.386 -2.466 62 H VAL 8 H VAL 8 0.420 -2.767 -2.334 63 HA VAL 8 HA VAL 8 -0.947 -5.263 -1.487 64 HB VAL 8 HB VAL 8 1.292 -5.169 -3.519 65 1HG1 VAL 8 1HG1 VAL 8 0.395 -7.372 -4.145 66 2HG1 VAL 8 2HG1 VAL 8 0.784 -7.345 -2.428 67 3HG1 VAL 8 3HG1 VAL 8 -0.911 -7.210 -2.955 68 1HG2 VAL 8 1HG2 VAL 8 -0.461 -3.847 -4.592 69 2HG2 VAL 8 2HG2 VAL 8 -0.377 -5.436 -5.325 70 3HG2 VAL 8 3HG2 VAL 8 -1.680 -5.065 -4.163 71 H CYS 9 H CYS 9 0.074 -6.460 0.073 72 HA CYS 9 HA CYS 9 2.998 -6.228 0.353 73 1HB CYS 9 1HB CYS 9 3.034 -5.931 2.725 74 2HB CYS 9 2HB CYS 9 2.162 -4.590 1.978 75 HG CYS 9 HG CYS 9 -0.206 -5.474 2.433 76 H VAL 10 H VAL 10 3.388 -8.118 2.493 77 HA VAL 10 HA VAL 10 2.861 -10.469 0.850 78 HB VAL 10 HB VAL 10 4.075 -10.290 3.643 79 1HG1 VAL 10 1HG1 VAL 10 5.062 -12.493 3.085 80 2HG1 VAL 10 2HG1 VAL 10 3.300 -12.578 3.079 81 3HG1 VAL 10 3HG1 VAL 10 4.185 -12.505 1.540 82 1HG2 VAL 10 1HG2 VAL 10 5.413 -10.331 0.913 83 2HG2 VAL 10 2HG2 VAL 10 5.438 -8.993 2.089 84 3HG2 VAL 10 3HG2 VAL 10 6.256 -10.507 2.470 85 H GLY 11 H GLY 11 2.087 -9.818 4.342 86 1HA GLY 11 1HA GLY 11 0.057 -11.900 4.254 87 2HA GLY 11 2HA GLY 11 0.574 -10.952 5.654 88 H ASN 12 H ASN 12 -0.037 -8.583 3.573 89 HA ASN 12 HA ASN 12 -1.723 -7.305 2.817 90 1HB ASN 12 1HB ASN 12 -2.876 -9.505 2.261 91 2HB ASN 12 2HB ASN 12 -3.795 -9.305 3.753 92 1HD2 ASN 12 2HD2 ASN 12 -3.816 -6.144 3.176 93 2HD2 ASN 12 1HD2 ASN 12 -5.032 -6.086 1.907 94 H ILE 13 H ILE 13 -2.629 -8.842 5.919 95 HA ILE 13 HA ILE 13 -4.495 -7.000 6.741 96 HB ILE 13 HB ILE 13 -4.218 -7.993 8.979 97 1HG1 ILE 13 1HG1 ILE 13 -1.805 -9.485 7.837 98 2HG1 ILE 13 2HG1 ILE 13 -1.697 -8.124 8.950 99 1HG2 ILE 13 1HG2 ILE 13 -4.842 -10.241 8.352 100 2HG2 ILE 13 2HG2 ILE 13 -5.475 -9.129 7.145 101 3HG2 ILE 13 3HG2 ILE 13 -4.032 -10.102 6.779 102 1HD1 ILE 13 1HD1 ILE 13 -2.961 -10.827 9.549 103 2HD1 ILE 13 2HD1 ILE 13 -1.457 -10.164 10.204 104 3HD1 ILE 13 3HD1 ILE 13 -3.016 -9.427 10.637 105 H CYS 14 H CYS 14 -1.320 -5.964 6.432 106 HA CYS 14 HA CYS 14 -1.593 -4.071 8.732 107 1HB CYS 14 1HB CYS 14 0.920 -4.307 8.954 108 2HB CYS 14 2HB CYS 14 -0.053 -5.697 9.458 109 HG CYS 14 HG CYS 14 2.107 -6.612 8.348 110 H ARG 15 H ARG 15 0.786 -4.364 5.996 111 HA ARG 15 HA ARG 15 0.957 -1.496 6.023 112 1HB ARG 15 1HB ARG 15 2.118 -3.541 4.086 113 2HB ARG 15 2HB ARG 15 2.474 -1.813 4.057 114 1HG ARG 15 1HG ARG 15 3.330 -1.921 6.372 115 2HG ARG 15 2HG ARG 15 3.038 -3.660 6.422 116 1HD ARG 15 1HD ARG 15 4.891 -2.281 4.432 117 2HD ARG 15 2HD ARG 15 5.414 -2.973 5.969 118 HE ARG 15 HE ARG 15 4.088 -5.061 4.727 119 1HH1 ARG 15 1HH2 ARG 15 7.108 -3.275 4.247 120 2HH1 ARG 15 2HH2 ARG 15 7.729 -4.426 3.125 121 1HH2 ARG 15 1HH1 ARG 15 5.245 -6.684 3.597 122 2HH2 ARG 15 2HH1 ARG 15 6.608 -6.247 2.581 123 H SER 16 H SER 16 -0.635 -3.756 3.664 124 HA SER 16 HA SER 16 -1.336 -1.799 1.833 125 1HB SER 16 1HB SER 16 -3.081 -4.179 2.503 126 2HB SER 16 2HB SER 16 -2.965 -3.294 0.972 127 HG SER 16 HG SER 16 -1.778 -5.173 0.842 128 HA PRO 17 HA PRO 17 -5.466 -0.764 3.944 129 1HB PRO 17 1HB PRO 17 -5.883 -1.261 6.634 130 2HB PRO 17 2HB PRO 17 -6.397 -2.323 5.296 131 1HG PRO 17 1HG PRO 17 -3.910 -2.544 7.006 132 2HG PRO 17 2HG PRO 17 -5.046 -3.845 6.534 133 1HD PRO 17 1HD PRO 17 -2.726 -3.484 5.202 134 2HD PRO 17 2HD PRO 17 -4.228 -3.902 4.331 135 H THR 18 H THR 18 -2.485 -0.606 5.947 136 HA THR 18 HA THR 18 -3.128 1.907 7.207 137 HB THR 18 HB THR 18 -0.424 0.650 6.567 138 HG1 THR 18 1HG THR 18 -1.433 -0.750 7.863 139 1HG2 THR 18 1HG2 THR 18 -1.230 2.779 8.595 140 2HG2 THR 18 2HG2 THR 18 0.362 1.981 8.519 141 3HG2 THR 18 3HG2 THR 18 -0.172 3.014 7.189 142 H ALA 19 H ALA 19 -1.306 1.011 4.217 143 HA ALA 19 HA ALA 19 -0.782 3.680 3.372 144 1HB ALA 19 1HB ALA 19 -0.572 2.518 1.112 145 2HB ALA 19 2HB ALA 19 0.448 1.869 2.422 146 3HB ALA 19 3HB ALA 19 -1.039 1.016 1.933 147 H GLU 20 H GLU 20 -3.486 1.415 2.558 148 HA GLU 20 HA GLU 20 -4.832 2.975 0.680 149 1HB GLU 20 1HB GLU 20 -5.456 0.664 1.278 150 2HB GLU 20 2HB GLU 20 -5.911 1.184 2.898 151 1HG GLU 20 1HG GLU 20 -7.701 2.661 1.791 152 2HG GLU 20 2HG GLU 20 -7.336 1.782 0.304 153 H ARG 21 H ARG 21 -5.279 2.987 4.261 154 HA ARG 21 HA ARG 21 -7.202 5.117 4.087 155 1HB ARG 21 1HB ARG 21 -5.614 4.007 6.456 156 2HB ARG 21 2HB ARG 21 -6.973 5.135 6.597 157 1HG ARG 21 1HG ARG 21 -7.185 2.387 5.337 158 2HG ARG 21 2HG ARG 21 -7.591 2.760 7.007 159 1HD ARG 21 1HD ARG 21 -9.466 4.000 6.462 160 2HD ARG 21 2HD ARG 21 -8.928 4.368 4.828 161 HE ARG 21 HE ARG 21 -9.343 2.139 4.083 162 1HH1 ARG 21 1HH2 ARG 21 -10.615 2.659 7.393 163 2HH1 ARG 21 2HH2 ARG 21 -11.616 1.230 7.284 164 1HH2 ARG 21 1HH1 ARG 21 -10.456 0.313 4.090 165 2HH2 ARG 21 2HH1 ARG 21 -11.507 -0.146 5.442 166 H LEU 22 H LEU 22 -3.675 5.129 4.653 167 HA LEU 22 HA LEU 22 -3.538 7.907 5.343 168 1HB LEU 22 1HB LEU 22 -1.593 5.962 4.052 169 2HB LEU 22 2HB LEU 22 -1.185 7.655 4.295 170 HG LEU 22 HG LEU 22 -2.067 5.928 6.631 171 1HD1 LEU 22 1HD1 LEU 22 -0.138 4.841 5.631 172 2HD1 LEU 22 2HD1 LEU 22 0.726 6.378 5.501 173 3HD1 LEU 22 3HD1 LEU 22 0.381 5.678 7.105 174 1HD2 LEU 22 1HD2 LEU 22 -0.775 7.657 7.897 175 2HD2 LEU 22 2HD2 LEU 22 -0.515 8.548 6.382 176 3HD2 LEU 22 3HD2 LEU 22 -2.151 8.349 7.034 177 H LEU 23 H LEU 23 -3.451 6.215 2.147 178 HA LEU 23 HA LEU 23 -3.144 8.618 0.631 179 1HB LEU 23 1HB LEU 23 -4.008 5.794 0.038 180 2HB LEU 23 2HB LEU 23 -4.590 7.029 -1.042 181 HG LEU 23 HG LEU 23 -2.668 6.106 -2.021 182 1HD1 LEU 23 1HD1 LEU 23 -1.675 8.773 -0.942 183 2HD1 LEU 23 2HD1 LEU 23 -1.321 7.998 -2.491 184 3HD1 LEU 23 3HD1 LEU 23 -2.945 8.621 -2.179 185 1HD2 LEU 23 1HD2 LEU 23 -1.157 6.735 0.537 186 2HD2 LEU 23 2HD2 LEU 23 -1.557 5.130 -0.111 187 3HD2 LEU 23 3HD2 LEU 23 -0.420 6.176 -0.981 188 H GLN 24 H GLN 24 -6.123 6.899 1.775 189 HA GLN 24 HA GLN 24 -7.902 8.731 0.502 190 1HB GLN 24 1HB GLN 24 -8.321 6.998 2.979 191 2HB GLN 24 2HB GLN 24 -9.568 7.963 2.184 192 1HG GLN 24 1HG GLN 24 -8.747 6.673 0.008 193 2HG GLN 24 2HG GLN 24 -8.203 5.476 1.191 194 1HE2 GLN 24 2HE2 GLN 24 -10.949 7.052 -0.315 195 2HE2 GLN 24 1HE2 GLN 24 -12.191 6.038 0.390 196 H ARG 25 H ARG 25 -6.290 8.859 3.714 197 HA ARG 25 HA ARG 25 -7.718 11.041 4.749 198 1HB ARG 25 1HB ARG 25 -5.948 9.519 5.854 199 2HB ARG 25 2HB ARG 25 -4.727 10.596 5.162 200 1HG ARG 25 1HG ARG 25 -5.753 12.508 6.414 201 2HG ARG 25 2HG ARG 25 -6.978 11.391 7.059 202 1HD ARG 25 1HD ARG 25 -5.025 9.996 7.961 203 2HD ARG 25 2HD ARG 25 -3.978 11.378 7.582 204 HE ARG 25 HE ARG 25 -6.016 12.491 9.056 205 1HH1 ARG 25 1HH2 ARG 25 -3.666 9.883 9.693 206 2HH1 ARG 25 2HH2 ARG 25 -3.938 9.929 11.417 207 1HH2 ARG 25 1HH1 ARG 25 -6.247 12.536 11.385 208 2HH2 ARG 25 2HH1 ARG 25 -5.329 11.409 12.343 209 H TYR 26 H TYR 26 -4.878 10.996 2.575 210 HA TYR 26 HA TYR 26 -4.944 13.915 2.376 211 1HB TYR 26 1HB TYR 26 -3.089 11.824 1.208 212 2HB TYR 26 2HB TYR 26 -2.912 13.563 0.976 213 HD1 TYR 26 HD1 TYR 26 -3.145 14.983 3.296 214 HD2 TYR 26 HD2 TYR 26 -1.695 10.932 2.937 215 HE1 TYR 26 HE1 TYR 26 -1.947 15.228 5.440 216 HE2 TYR 26 HE2 TYR 26 -0.458 11.186 5.071 217 HH TYR 26 HH TYR 26 0.268 12.736 6.728 218 H HIS 27 H HIS 27 -6.396 11.332 0.518 219 HA HIS 27 HA HIS 27 -7.472 13.377 -1.297 220 1HB HIS 27 1HB HIS 27 -5.639 11.167 -2.188 221 2HB HIS 27 2HB HIS 27 -7.104 11.467 -3.128 222 HD1 HIS 27 HD1 HIS 27 -7.548 14.187 -3.664 223 HD2 HIS 27 HD2 HIS 27 -3.675 12.577 -3.324 224 HE1 HIS 27 HE1 HIS 27 -5.982 15.772 -4.963 225 HA PRO 28 HA PRO 28 -10.614 10.555 0.531 226 1HB PRO 28 1HB PRO 28 -12.248 12.986 -0.214 227 2HB PRO 28 2HB PRO 28 -12.385 11.938 1.233 228 1HG PRO 28 1HG PRO 28 -11.140 14.339 1.404 229 2HG PRO 28 2HG PRO 28 -10.421 12.900 2.202 230 1HD PRO 28 1HD PRO 28 -9.661 14.153 -0.447 231 2HD PRO 28 2HD PRO 28 -8.608 13.550 0.869 232 H GLU 29 H GLU 29 -10.439 12.223 -2.601 233 HA GLU 29 HA GLU 29 -12.728 10.700 -3.678 234 1HB GLU 29 1HB GLU 29 -12.486 12.044 -5.648 235 2HB GLU 29 2HB GLU 29 -12.558 13.071 -4.230 236 1HG GLU 29 1HG GLU 29 -9.899 12.321 -5.527 237 2HG GLU 29 2HG GLU 29 -10.893 13.634 -6.133 238 H LEU 30 H LEU 30 -9.621 9.809 -3.062 239 HA LEU 30 HA LEU 30 -8.917 8.664 -5.654 240 1HB LEU 30 1HB LEU 30 -7.352 9.468 -3.762 241 2HB LEU 30 2HB LEU 30 -7.770 7.977 -2.927 242 HG LEU 30 HG LEU 30 -6.877 6.746 -5.007 243 1HD1 LEU 30 1HD1 LEU 30 -5.340 8.096 -6.466 244 2HD1 LEU 30 2HD1 LEU 30 -7.013 8.616 -6.633 245 3HD1 LEU 30 3HD1 LEU 30 -5.887 9.575 -5.657 246 1HD2 LEU 30 1HD2 LEU 30 -5.085 8.592 -3.360 247 2HD2 LEU 30 2HD2 LEU 30 -5.595 6.936 -2.969 248 3HD2 LEU 30 3HD2 LEU 30 -4.484 7.224 -4.309 249 H LYS 31 H LYS 31 -9.235 6.513 -6.300 250 HA LYS 31 HA LYS 31 -10.947 4.832 -4.526 251 1HB LYS 31 1HB LYS 31 -11.777 5.110 -6.831 252 2HB LYS 31 2HB LYS 31 -10.236 4.588 -7.483 253 1HG LYS 31 1HG LYS 31 -11.891 2.798 -7.602 254 2HG LYS 31 2HG LYS 31 -10.535 2.336 -6.588 255 1HD LYS 31 1HD LYS 31 -12.637 1.557 -5.645 256 2HD LYS 31 2HD LYS 31 -11.893 2.726 -4.554 257 1HE LYS 31 1HE LYS 31 -13.416 4.502 -5.424 258 2HE LYS 31 2HE LYS 31 -14.123 3.341 -6.556 259 1HZ LYS 31 1HZ LYS 31 -14.926 2.069 -4.653 260 2HZ LYS 31 2HZ LYS 31 -14.271 3.136 -3.601 261 3HZ LYS 31 3HZ LYS 31 -15.485 3.595 -4.584 262 H VAL 32 H VAL 32 -9.454 4.075 -3.037 263 HA VAL 32 HA VAL 32 -7.122 2.629 -4.156 264 HB VAL 32 HB VAL 32 -6.280 4.696 -3.303 265 1HG1 VAL 32 1HG1 VAL 32 -7.546 4.005 -0.635 266 2HG1 VAL 32 2HG1 VAL 32 -6.398 5.322 -0.924 267 3HG1 VAL 32 3HG1 VAL 32 -7.980 5.355 -1.710 268 1HG2 VAL 32 1HG2 VAL 32 -5.582 2.425 -1.411 269 2HG2 VAL 32 2HG2 VAL 32 -4.920 2.667 -3.034 270 3HG2 VAL 32 3HG2 VAL 32 -4.592 3.859 -1.767 271 H GLU 33 H GLU 33 -6.767 0.649 -3.358 272 HA GLU 33 HA GLU 33 -8.530 -0.352 -1.173 273 1HB GLU 33 1HB GLU 33 -9.402 -0.579 -3.659 274 2HB GLU 33 2HB GLU 33 -8.163 -1.811 -3.806 275 1HG GLU 33 1HG GLU 33 -10.290 -2.851 -3.293 276 2HG GLU 33 2HG GLU 33 -9.214 -3.061 -1.934 277 H SER 34 H SER 34 -7.760 -2.795 -0.749 278 HA SER 34 HA SER 34 -4.773 -2.810 -0.715 279 1HB SER 34 1HB SER 34 -5.163 -3.514 1.742 280 2HB SER 34 2HB SER 34 -5.391 -1.809 1.321 281 HG SER 34 HG SER 34 -7.499 -1.963 1.537 282 H ALA 35 H ALA 35 -3.832 -4.756 -1.085 283 HA ALA 35 HA ALA 35 -5.349 -7.265 -0.623 284 1HB ALA 35 1HB ALA 35 -5.813 -6.728 -2.945 285 2HB ALA 35 2HB ALA 35 -4.075 -6.473 -3.274 286 3HB ALA 35 3HB ALA 35 -4.704 -8.088 -2.875 287 H GLY 36 H GLY 36 -3.711 -9.186 -1.133 288 1HA GLY 36 1HA GLY 36 -0.914 -8.331 -0.687 289 2HA GLY 36 2HA GLY 36 -1.611 -9.463 0.461 290 H LEU 37 H LEU 37 0.724 -9.808 -1.036 291 HA LEU 37 HA LEU 37 0.303 -11.416 -3.410 292 1HB LEU 37 1HB LEU 37 2.641 -10.688 -1.627 293 2HB LEU 37 2HB LEU 37 2.827 -12.015 -2.758 294 HG LEU 37 HG LEU 37 1.957 -9.237 -3.637 295 1HD1 LEU 37 1HD1 LEU 37 4.208 -9.130 -2.656 296 2HD1 LEU 37 2HD1 LEU 37 4.734 -10.499 -3.663 297 3HD1 LEU 37 3HD1 LEU 37 4.283 -8.950 -4.416 298 1HD2 LEU 37 1HD2 LEU 37 2.726 -10.084 -5.878 299 2HD2 LEU 37 2HD2 LEU 37 2.964 -11.687 -5.164 300 3HD2 LEU 37 3HD2 LEU 37 1.342 -10.976 -5.258 301 H GLY 38 H GLY 38 0.570 -12.114 0.040 302 1HA GLY 38 1HA GLY 38 -0.144 -14.950 -0.522 303 2HA GLY 38 2HA GLY 38 1.197 -14.583 0.600 304 H ALA 39 H ALA 39 -2.084 -13.324 -0.178 305 HA ALA 39 HA ALA 39 -2.314 -11.968 2.333 306 1HB ALA 39 1HB ALA 39 -3.472 -11.283 0.215 307 2HB ALA 39 2HB ALA 39 -4.501 -12.731 0.371 308 3HB ALA 39 3HB ALA 39 -4.584 -11.442 1.583 309 H LEU 40 H LEU 40 -3.940 -12.247 3.888 310 HA LEU 40 HA LEU 40 -4.519 -15.089 4.593 311 1HB LEU 40 1HB LEU 40 -4.470 -12.499 6.202 312 2HB LEU 40 2HB LEU 40 -4.884 -14.086 6.859 313 HG LEU 40 HG LEU 40 -2.175 -13.433 5.604 314 1HD1 LEU 40 1HD1 LEU 40 -2.511 -12.063 7.583 315 2HD1 LEU 40 2HD1 LEU 40 -2.950 -13.495 8.544 316 3HD1 LEU 40 3HD1 LEU 40 -1.305 -13.315 7.893 317 1HD2 LEU 40 1HD2 LEU 40 -3.106 -15.799 7.292 318 2HD2 LEU 40 2HD2 LEU 40 -2.665 -15.836 5.570 319 3HD2 LEU 40 3HD2 LEU 40 -1.431 -15.489 6.781 320 H VAL 41 H VAL 41 -6.017 -14.655 2.617 321 HA VAL 41 HA VAL 41 -7.909 -12.709 2.496 322 HB VAL 41 HB VAL 41 -7.353 -14.098 0.667 323 1HG1 VAL 41 1HG1 VAL 41 -8.819 -16.424 1.972 324 2HG1 VAL 41 2HG1 VAL 41 -8.128 -16.391 0.339 325 3HG1 VAL 41 3HG1 VAL 41 -7.062 -16.298 1.743 326 1HG2 VAL 41 1HG2 VAL 41 -9.566 -12.977 0.624 327 2HG2 VAL 41 2HG2 VAL 41 -9.515 -14.449 -0.360 328 3HG2 VAL 41 3HG2 VAL 41 -10.319 -14.468 1.222 329 H GLY 42 H GLY 42 -9.725 -12.098 3.430 330 1HA GLY 42 1HA GLY 42 -11.845 -12.496 4.410 331 2HA GLY 42 2HA GLY 42 -11.288 -14.034 5.061 332 H LYS 43 H LYS 43 -8.675 -12.675 6.096 333 HA LYS 43 HA LYS 43 -9.768 -12.007 8.692 334 1HB LYS 43 1HB LYS 43 -6.940 -11.725 7.575 335 2HB LYS 43 2HB LYS 43 -7.403 -11.370 9.242 336 1HG LYS 43 1HG LYS 43 -8.365 -13.761 9.351 337 2HG LYS 43 2HG LYS 43 -7.483 -14.067 7.844 338 1HD LYS 43 1HD LYS 43 -5.363 -13.360 9.015 339 2HD LYS 43 2HD LYS 43 -6.301 -13.146 10.505 340 1HE LYS 43 1HE LYS 43 -7.028 -15.549 10.345 341 2HE LYS 43 2HE LYS 43 -5.969 -15.752 8.946 342 1HZ LYS 43 1HZ LYS 43 -5.078 -15.033 11.682 343 2HZ LYS 43 2HZ LYS 43 -4.911 -16.491 10.985 344 3HZ LYS 43 3HZ LYS 43 -4.081 -15.219 10.397 345 H GLY 44 H GLY 44 -9.615 -10.030 9.842 346 1HA GLY 44 1HA GLY 44 -10.116 -7.632 8.252 347 2HA GLY 44 2HA GLY 44 -10.131 -7.778 10.011 348 H ALA 45 H ALA 45 -8.974 -5.600 9.602 349 HA ALA 45 HA ALA 45 -6.170 -5.648 8.839 350 1HB ALA 45 1HB ALA 45 -7.848 -3.654 10.426 351 2HB ALA 45 2HB ALA 45 -6.136 -3.419 10.004 352 3HB ALA 45 3HB ALA 45 -7.356 -3.537 8.728 353 H ASP 46 H ASP 46 -4.369 -5.577 10.260 354 HA ASP 46 HA ASP 46 -4.512 -7.477 12.377 355 1HB ASP 46 1HB ASP 46 -2.513 -7.040 10.947 356 2HB ASP 46 2HB ASP 46 -2.280 -5.497 11.770 357 HA PRO 47 HA PRO 47 -5.808 -4.781 15.750 358 1HB PRO 47 1HB PRO 47 -3.985 -6.564 17.374 359 2HB PRO 47 2HB PRO 47 -5.631 -5.976 17.770 360 1HG PRO 47 1HG PRO 47 -5.277 -8.489 16.822 361 2HG PRO 47 2HG PRO 47 -6.622 -7.480 16.196 362 1HD PRO 47 1HD PRO 47 -3.943 -8.045 14.918 363 2HD PRO 47 2HD PRO 47 -5.571 -7.979 14.174 364 H THR 48 H THR 48 -2.328 -5.462 15.209 365 HA THR 48 HA THR 48 -1.486 -3.323 17.019 366 HB THR 48 HB THR 48 0.393 -4.446 14.995 367 HG1 THR 48 1HG THR 48 -0.695 -6.248 15.380 368 1HG2 THR 48 1HG2 THR 48 0.524 -4.091 18.022 369 2HG2 THR 48 2HG2 THR 48 1.866 -4.638 16.991 370 3HG2 THR 48 3HG2 THR 48 1.207 -3.006 16.787 371 H ALA 49 H ALA 49 -1.932 -3.866 13.505 372 HA ALA 49 HA ALA 49 -0.898 -1.337 12.627 373 1HB ALA 49 1HB ALA 49 -2.119 -1.836 10.561 374 2HB ALA 49 2HB ALA 49 -1.248 -3.272 11.129 375 3HB ALA 49 3HB ALA 49 -3.003 -3.149 11.367 376 H ILE 50 H ILE 50 -4.190 -2.496 13.524 377 HA ILE 50 HA ILE 50 -5.567 -0.033 13.199 378 HB ILE 50 HB ILE 50 -5.989 -2.350 15.107 379 1HG1 ILE 50 1HG1 ILE 50 -7.580 -1.636 12.603 380 2HG1 ILE 50 2HG1 ILE 50 -6.209 -2.736 12.560 381 1HG2 ILE 50 1HG2 ILE 50 -7.917 -0.061 14.504 382 2HG2 ILE 50 2HG2 ILE 50 -8.314 -1.506 15.456 383 3HG2 ILE 50 3HG2 ILE 50 -7.124 -0.377 16.061 384 1HD1 ILE 50 1HD1 ILE 50 -8.256 -4.021 12.663 385 2HD1 ILE 50 2HD1 ILE 50 -7.359 -4.245 14.174 386 3HD1 ILE 50 3HD1 ILE 50 -8.788 -3.184 14.118 387 H SER 51 H SER 51 -3.768 -1.361 16.066 388 HA SER 51 HA SER 51 -4.404 0.755 17.798 389 1HB SER 51 1HB SER 51 -1.876 -0.948 17.745 390 2HB SER 51 2HB SER 51 -2.427 0.066 19.085 391 HG SER 51 HG SER 51 -3.768 -2.190 17.968 392 H VAL 52 H VAL 52 -1.421 0.465 15.686 393 HA VAL 52 HA VAL 52 -0.543 3.062 16.502 394 HB VAL 52 HB VAL 52 1.070 2.969 14.700 395 1HG1 VAL 52 1HG1 VAL 52 2.301 1.027 15.519 396 2HG1 VAL 52 2HG1 VAL 52 1.454 1.805 16.858 397 3HG1 VAL 52 3HG1 VAL 52 0.819 0.299 16.154 398 1HG2 VAL 52 1HG2 VAL 52 1.303 1.078 13.195 399 2HG2 VAL 52 2HG2 VAL 52 -0.173 0.337 13.836 400 3HG2 VAL 52 3HG2 VAL 52 -0.260 1.850 12.917 401 H ALA 53 H ALA 53 -2.748 2.037 13.860 402 HA ALA 53 HA ALA 53 -2.790 4.612 12.592 403 1HB ALA 53 1HB ALA 53 -4.848 3.807 11.543 404 2HB ALA 53 2HB ALA 53 -3.624 2.527 11.533 405 3HB ALA 53 3HB ALA 53 -4.959 2.475 12.710 406 H ALA 54 H ALA 54 -4.751 3.175 15.267 407 HA ALA 54 HA ALA 54 -6.475 5.430 15.549 408 1HB ALA 54 1HB ALA 54 -7.023 3.176 16.410 409 2HB ALA 54 2HB ALA 54 -5.681 3.285 17.575 410 3HB ALA 54 3HB ALA 54 -7.068 4.386 17.709 411 H GLU 55 H GLU 55 -3.265 4.647 16.985 412 HA GLU 55 HA GLU 55 -3.193 6.870 18.763 413 1HB GLU 55 1HB GLU 55 -1.043 5.203 17.422 414 2HB GLU 55 2HB GLU 55 -0.646 6.572 18.466 415 1HG GLU 55 1HG GLU 55 -1.871 5.589 20.336 416 2HG GLU 55 2HG GLU 55 -2.417 4.250 19.336 417 H HIS 56 H HIS 56 -3.109 6.854 15.296 418 HA HIS 56 HA HIS 56 -2.491 9.775 15.321 419 1HB HIS 56 1HB HIS 56 -2.066 7.720 13.125 420 2HB HIS 56 2HB HIS 56 -1.899 9.464 12.909 421 HD1 HIS 56 HD1 HIS 56 0.149 10.649 14.432 422 HD2 HIS 56 HD2 HIS 56 0.042 6.463 14.065 423 HE1 HIS 56 HE1 HIS 56 2.445 9.814 15.141 424 H GLN 57 H GLN 57 -5.020 8.008 15.732 425 HA GLN 57 HA GLN 57 -7.199 8.015 15.190 426 1HB GLN 57 1HB GLN 57 -6.659 10.988 14.751 427 2HB GLN 57 2HB GLN 57 -8.232 10.244 15.032 428 1HG GLN 57 1HG GLN 57 -7.641 11.111 17.117 429 2HG GLN 57 2HG GLN 57 -7.355 9.385 17.257 430 1HE2 GLN 57 2HE2 GLN 57 -5.306 8.750 17.993 431 2HE2 GLN 57 1HE2 GLN 57 -3.914 9.812 18.087 432 H LEU 58 H LEU 58 -5.883 6.902 13.217 433 HA LEU 58 HA LEU 58 -7.647 7.602 10.904 434 1HB LEU 58 1HB LEU 58 -5.184 7.806 10.437 435 2HB LEU 58 2HB LEU 58 -4.988 6.108 10.884 436 HG LEU 58 HG LEU 58 -6.313 5.395 8.986 437 1HD1 LEU 58 1HD1 LEU 58 -8.003 7.042 8.670 438 2HD1 LEU 58 2HD1 LEU 58 -6.822 8.375 8.597 439 3HD1 LEU 58 3HD1 LEU 58 -6.968 7.232 7.257 440 1HD2 LEU 58 1HD2 LEU 58 -3.888 5.854 8.737 441 2HD2 LEU 58 2HD2 LEU 58 -4.760 6.130 7.234 442 3HD2 LEU 58 3HD2 LEU 58 -4.253 7.513 8.217 443 H SER 59 H SER 59 -8.874 5.796 10.141 444 HA SER 59 HA SER 59 -9.008 3.609 12.148 445 1HB SER 59 1HB SER 59 -11.219 4.858 10.480 446 2HB SER 59 2HB SER 59 -11.404 3.651 11.763 447 HG SER 59 HG SER 59 -11.798 5.794 12.495 448 H LEU 60 H LEU 60 -8.030 1.816 11.210 449 HA LEU 60 HA LEU 60 -8.279 1.217 8.363 450 1HB LEU 60 1HB LEU 60 -7.343 -0.682 10.528 451 2HB LEU 60 2HB LEU 60 -7.002 -0.742 8.808 452 HG LEU 60 HG LEU 60 -5.870 1.159 10.871 453 1HD1 LEU 60 1HD1 LEU 60 -3.735 0.172 10.206 454 2HD1 LEU 60 2HD1 LEU 60 -4.872 -1.103 10.681 455 3HD1 LEU 60 3HD1 LEU 60 -4.535 -0.806 8.962 456 1HD2 LEU 60 1HD2 LEU 60 -6.228 2.564 8.922 457 2HD2 LEU 60 2HD2 LEU 60 -4.516 2.174 9.036 458 3HD2 LEU 60 3HD2 LEU 60 -5.536 1.324 7.850 459 H GLU 61 H GLU 61 -10.838 1.474 9.830 460 HA GLU 61 HA GLU 61 -11.813 -1.078 10.656 461 1HB GLU 61 1HB GLU 61 -13.173 1.544 9.914 462 2HB GLU 61 2HB GLU 61 -14.076 0.145 10.494 463 1HG GLU 61 1HG GLU 61 -11.803 1.432 12.067 464 2HG GLU 61 2HG GLU 61 -13.493 1.882 12.241 465 H GLY 62 H GLY 62 -13.104 -2.597 9.655 466 1HA GLY 62 1HA GLY 62 -14.290 -3.663 8.051 467 2HA GLY 62 2HA GLY 62 -14.495 -2.107 7.226 468 H HIS 63 H HIS 63 -11.149 -2.836 7.560 469 HA HIS 63 HA HIS 63 -10.733 -3.451 4.780 470 1HB HIS 63 1HB HIS 63 -8.909 -2.540 6.107 471 2HB HIS 63 2HB HIS 63 -9.042 -3.866 7.272 472 HD1 HIS 63 HD1 HIS 63 -8.129 -3.520 3.465 473 HD2 HIS 63 HD2 HIS 63 -7.510 -5.944 6.855 474 HE1 HIS 63 HE1 HIS 63 -6.691 -5.434 2.725 475 H CYS 64 H CYS 64 -10.551 -5.455 3.766 476 HA CYS 64 HA CYS 64 -10.640 -7.908 5.431 477 1HB CYS 64 1HB CYS 64 -12.912 -7.433 4.420 478 2HB CYS 64 2HB CYS 64 -12.158 -7.516 2.812 479 HG CYS 64 HG CYS 64 -13.468 -9.728 3.318 480 H ALA 65 H ALA 65 -8.915 -9.168 4.933 481 HA ALA 65 HA ALA 65 -7.018 -8.389 2.962 482 1HB ALA 65 1HB ALA 65 -7.397 -10.932 4.581 483 2HB ALA 65 2HB ALA 65 -5.964 -10.609 3.578 484 3HB ALA 65 3HB ALA 65 -6.334 -9.564 4.968 485 H ARG 66 H ARG 66 -6.404 -9.382 1.042 486 HA ARG 66 HA ARG 66 -8.370 -11.146 -0.373 487 1HB ARG 66 1HB ARG 66 -7.551 -8.277 -1.063 488 2HB ARG 66 2HB ARG 66 -8.210 -9.389 -2.268 489 1HG ARG 66 1HG ARG 66 -10.282 -9.596 -1.122 490 2HG ARG 66 2HG ARG 66 -9.676 -8.753 0.307 491 1HD ARG 66 1HD ARG 66 -9.892 -7.389 -2.391 492 2HD ARG 66 2HD ARG 66 -11.203 -7.429 -1.202 493 HE ARG 66 HE ARG 66 -8.528 -6.433 -0.354 494 1HH1 ARG 66 1HH2 ARG 66 -11.904 -5.553 -1.166 495 2HH1 ARG 66 2HH2 ARG 66 -11.713 -3.963 -0.461 496 1HH2 ARG 66 1HH1 ARG 66 -8.465 -4.397 0.688 497 2HH2 ARG 66 2HH1 ARG 66 -9.848 -3.324 0.518 498 H GLN 67 H GLN 67 -7.093 -12.670 -1.375 499 HA GLN 67 HA GLN 67 -4.273 -12.311 -1.891 500 1HB GLN 67 1HB GLN 67 -5.307 -14.531 -1.562 501 2HB GLN 67 2HB GLN 67 -6.342 -14.284 -2.972 502 1HG GLN 67 1HG GLN 67 -4.410 -15.756 -3.453 503 2HG GLN 67 2HG GLN 67 -4.439 -14.324 -4.466 504 1HE2 GLN 67 2HE2 GLN 67 -2.357 -13.588 -4.801 505 2HE2 GLN 67 1HE2 GLN 67 -1.060 -13.697 -3.597 506 H ILE 68 H ILE 68 -3.406 -11.046 -3.366 507 HA ILE 68 HA ILE 68 -5.008 -9.844 -5.446 508 HB ILE 68 HB ILE 68 -3.016 -8.751 -4.430 509 1HG1 ILE 68 1HG1 ILE 68 -2.820 -9.046 -7.454 510 2HG1 ILE 68 2HG1 ILE 68 -4.130 -8.180 -6.649 511 1HG2 ILE 68 1HG2 ILE 68 -1.518 -10.844 -4.543 512 2HG2 ILE 68 2HG2 ILE 68 -1.283 -10.460 -6.251 513 3HG2 ILE 68 3HG2 ILE 68 -0.777 -9.306 -5.005 514 1HD1 ILE 68 1HD1 ILE 68 -2.561 -6.616 -5.647 515 2HD1 ILE 68 2HD1 ILE 68 -1.196 -7.464 -6.400 516 3HD1 ILE 68 3HD1 ILE 68 -2.388 -6.638 -7.416 517 H SER 69 H SER 69 -5.031 -10.343 -7.622 518 HA SER 69 HA SER 69 -3.887 -12.923 -8.521 519 1HB SER 69 1HB SER 69 -6.183 -13.514 -9.331 520 2HB SER 69 2HB SER 69 -6.123 -13.342 -7.558 521 HG SER 69 HG SER 69 -7.880 -12.222 -8.260 522 H ARG 70 H ARG 70 -4.197 -13.003 -11.028 523 HA ARG 70 HA ARG 70 -3.199 -10.592 -12.148 524 1HB ARG 70 1HB ARG 70 -2.949 -12.959 -13.032 525 2HB ARG 70 2HB ARG 70 -4.587 -12.829 -13.691 526 1HG ARG 70 1HG ARG 70 -3.869 -10.933 -15.119 527 2HG ARG 70 2HG ARG 70 -2.269 -10.950 -14.348 528 1HD ARG 70 1HD ARG 70 -1.986 -13.329 -15.140 529 2HD ARG 70 2HD ARG 70 -3.486 -13.143 -16.075 530 HE ARG 70 HE ARG 70 -1.913 -10.981 -16.831 531 1HH1 ARG 70 1HH2 ARG 70 -1.602 -14.524 -17.029 532 2HH1 ARG 70 2HH2 ARG 70 -0.486 -14.478 -18.344 533 1HH2 ARG 70 1HH1 ARG 70 -0.342 -10.909 -18.368 534 2HH2 ARG 70 2HH1 ARG 70 0.198 -12.346 -19.213 535 H ARG 71 H ARG 71 -6.569 -11.849 -11.964 536 HA ARG 71 HA ARG 71 -7.712 -9.759 -13.513 537 1HB ARG 71 1HB ARG 71 -9.830 -10.318 -12.440 538 2HB ARG 71 2HB ARG 71 -8.982 -11.728 -13.075 539 1HG ARG 71 1HG ARG 71 -8.279 -12.361 -10.808 540 2HG ARG 71 2HG ARG 71 -9.122 -10.956 -10.128 541 1HD ARG 71 1HD ARG 71 -10.441 -13.198 -11.709 542 2HD ARG 71 2HD ARG 71 -10.383 -13.103 -9.941 543 HE ARG 71 HE ARG 71 -11.476 -10.682 -10.735 544 1HH1 ARG 71 1HH2 ARG 71 -12.370 -14.098 -11.080 545 2HH1 ARG 71 2HH2 ARG 71 -14.066 -13.798 -11.142 546 1HH2 ARG 71 1HH1 ARG 71 -13.739 -10.273 -10.833 547 2HH2 ARG 71 2HH1 ARG 71 -14.856 -11.571 -10.993 548 H LEU 72 H LEU 72 -7.053 -9.848 -9.922 549 HA LEU 72 HA LEU 72 -8.115 -7.230 -9.522 550 1HB LEU 72 1HB LEU 72 -6.322 -9.079 -7.988 551 2HB LEU 72 2HB LEU 72 -6.114 -7.346 -7.694 552 HG LEU 72 HG LEU 72 -8.492 -7.082 -7.264 553 1HD1 LEU 72 1HD1 LEU 72 -9.949 -9.023 -6.796 554 2HD1 LEU 72 2HD1 LEU 72 -9.460 -8.983 -8.492 555 3HD1 LEU 72 3HD1 LEU 72 -8.676 -10.118 -7.370 556 1HD2 LEU 72 1HD2 LEU 72 -7.215 -9.217 -5.495 557 2HD2 LEU 72 2HD2 LEU 72 -6.884 -7.469 -5.401 558 3HD2 LEU 72 3HD2 LEU 72 -8.496 -8.086 -5.019 559 H CYS 73 H CYS 73 -4.817 -8.330 -10.516 560 HA CYS 73 HA CYS 73 -3.692 -5.746 -10.369 561 1HB CYS 73 1HB CYS 73 -2.998 -7.985 -12.344 562 2HB CYS 73 2HB CYS 73 -1.990 -6.576 -11.987 563 HG CYS 73 HG CYS 73 -3.012 -8.952 -9.906 564 H ARG 74 H ARG 74 -5.562 -7.291 -13.050 565 HA ARG 74 HA ARG 74 -5.223 -5.062 -14.862 566 1HB ARG 74 1HB ARG 74 -7.296 -7.296 -14.674 567 2HB ARG 74 2HB ARG 74 -7.225 -6.134 -16.002 568 1HG ARG 74 1HG ARG 74 -5.025 -6.888 -16.674 569 2HG ARG 74 2HG ARG 74 -4.890 -7.953 -15.266 570 1HD ARG 74 1HD ARG 74 -6.829 -9.272 -16.057 571 2HD ARG 74 2HD ARG 74 -6.960 -8.218 -17.485 572 HE ARG 74 HE ARG 74 -4.299 -9.189 -17.345 573 1HH1 ARG 74 1HH2 ARG 74 -7.528 -10.549 -18.008 574 2HH1 ARG 74 2HH2 ARG 74 -6.909 -11.803 -19.018 575 1HH2 ARG 74 1HH1 ARG 74 -3.530 -10.701 -18.592 576 2HH2 ARG 74 2HH1 ARG 74 -4.514 -11.916 -19.393 577 H ASN 75 H ASN 75 -7.395 -5.623 -12.128 578 HA ASN 75 HA ASN 75 -9.528 -4.000 -13.029 579 1HB ASN 75 1HB ASN 75 -9.713 -5.736 -11.264 580 2HB ASN 75 2HB ASN 75 -8.769 -4.720 -10.172 581 1HD2 ASN 75 2HD2 ASN 75 -9.869 -3.084 -9.004 582 2HD2 ASN 75 1HD2 ASN 75 -11.564 -2.734 -9.235 583 H TYR 76 H TYR 76 -6.458 -3.031 -11.621 584 HA TYR 76 HA TYR 76 -7.538 -0.265 -11.198 585 1HB TYR 76 1HB TYR 76 -5.295 -1.603 -9.655 586 2HB TYR 76 2HB TYR 76 -5.889 0.029 -9.421 587 HD1 TYR 76 HD1 TYR 76 -7.916 0.454 -8.078 588 HD2 TYR 76 HD2 TYR 76 -6.663 -3.549 -9.022 589 HE1 TYR 76 HE1 TYR 76 -9.546 -0.438 -6.445 590 HE2 TYR 76 HE2 TYR 76 -8.278 -4.468 -7.407 591 HH TYR 76 HH TYR 76 -9.980 -3.962 -5.873 592 H ASP 77 H ASP 77 -5.680 1.410 -11.395 593 HA ASP 77 HA ASP 77 -4.295 0.721 -13.951 594 1HB ASP 77 1HB ASP 77 -6.120 2.401 -14.025 595 2HB ASP 77 2HB ASP 77 -5.193 3.423 -12.919 596 H LEU 78 H LEU 78 -3.566 1.189 -10.708 597 HA LEU 78 HA LEU 78 -0.709 1.563 -11.314 598 1HB LEU 78 1HB LEU 78 -1.910 3.809 -10.860 599 2HB LEU 78 2HB LEU 78 -2.238 3.207 -9.261 600 HG LEU 78 HG LEU 78 -0.406 4.757 -9.247 601 1HD1 LEU 78 1HD1 LEU 78 -0.235 2.766 -7.707 602 2HD1 LEU 78 2HD1 LEU 78 0.939 2.077 -8.859 603 3HD1 LEU 78 3HD1 LEU 78 1.283 3.609 -8.053 604 1HD2 LEU 78 1HD2 LEU 78 1.149 2.961 -11.140 605 2HD2 LEU 78 2HD2 LEU 78 0.275 4.433 -11.624 606 3HD2 LEU 78 3HD2 LEU 78 1.616 4.549 -10.484 607 H ILE 79 H ILE 79 0.350 0.024 -10.050 608 HA ILE 79 HA ILE 79 -1.211 -1.202 -7.804 609 HB ILE 79 HB ILE 79 0.920 -2.547 -9.489 610 1HG1 ILE 79 1HG1 ILE 79 -1.032 -2.270 -10.913 611 2HG1 ILE 79 2HG1 ILE 79 -0.823 -3.950 -10.471 612 1HG2 ILE 79 1HG2 ILE 79 0.795 -3.400 -7.194 613 2HG2 ILE 79 2HG2 ILE 79 -0.954 -3.607 -7.322 614 3HG2 ILE 79 3HG2 ILE 79 0.135 -4.605 -8.311 615 1HD1 ILE 79 1HD1 ILE 79 -3.199 -3.228 -10.449 616 2HD1 ILE 79 2HD1 ILE 79 -2.679 -3.819 -8.866 617 3HD1 ILE 79 3HD1 ILE 79 -2.849 -2.072 -9.165 618 H LEU 80 H LEU 80 -0.200 -1.087 -5.847 619 HA LEU 80 HA LEU 80 2.417 0.344 -5.814 620 1HB LEU 80 1HB LEU 80 0.408 1.794 -5.640 621 2HB LEU 80 2HB LEU 80 -0.099 0.920 -4.200 622 HG LEU 80 HG LEU 80 1.729 1.794 -2.922 623 1HD1 LEU 80 1HD1 LEU 80 3.398 3.398 -3.947 624 2HD1 LEU 80 2HD1 LEU 80 3.614 1.729 -4.427 625 3HD1 LEU 80 3HD1 LEU 80 2.841 2.874 -5.548 626 1HD2 LEU 80 1HD2 LEU 80 0.560 3.955 -4.749 627 2HD2 LEU 80 2HD2 LEU 80 -0.177 3.322 -3.262 628 3HD2 LEU 80 3HD2 LEU 80 1.325 4.267 -3.192 629 H THR 81 H THR 81 3.799 -0.236 -4.099 630 HA THR 81 HA THR 81 2.852 -2.124 -2.062 631 HB THR 81 HB THR 81 3.258 -3.529 -4.046 632 HG1 THR 81 1HG THR 81 3.643 -4.338 -2.020 633 1HG2 THR 81 1HG2 THR 81 5.531 -3.906 -4.911 634 2HG2 THR 81 2HG2 THR 81 4.970 -2.276 -5.268 635 3HG2 THR 81 3HG2 THR 81 6.142 -2.536 -3.959 636 H MET 82 H MET 82 5.398 -2.853 -1.053 637 HA MET 82 HA MET 82 6.556 -0.170 -0.406 638 1HB MET 82 1HB MET 82 5.968 -2.556 1.396 639 2HB MET 82 2HB MET 82 6.912 -1.140 1.849 640 1HG MET 82 1HG MET 82 4.858 -0.623 2.723 641 2HG MET 82 2HG MET 82 4.867 0.267 1.208 642 1HE MET 82 1HE MET 82 2.305 0.674 0.938 643 2HE MET 82 2HE MET 82 1.134 -0.485 1.621 644 3HE MET 82 3HE MET 82 2.403 0.206 2.649 645 H GLU 83 H GLU 83 7.293 -3.190 -1.837 646 HA GLU 83 HA GLU 83 10.164 -2.767 -1.270 647 1HB GLU 83 1HB GLU 83 8.787 -5.460 -0.941 648 2HB GLU 83 2HB GLU 83 10.503 -5.106 -0.746 649 1HG GLU 83 1HG GLU 83 9.939 -3.580 1.161 650 2HG GLU 83 2HG GLU 83 8.244 -4.061 1.017 651 H LYS 84 H LYS 84 11.598 -3.560 -2.815 652 HA LYS 84 HA LYS 84 10.441 -3.538 -5.495 653 1HB LYS 84 1HB LYS 84 13.269 -3.843 -4.415 654 2HB LYS 84 2HB LYS 84 12.894 -3.851 -6.143 655 1HG LYS 84 1HG LYS 84 12.057 -1.636 -6.137 656 2HG LYS 84 2HG LYS 84 11.912 -1.571 -4.387 657 1HD LYS 84 1HD LYS 84 14.568 -1.670 -5.858 658 2HD LYS 84 2HD LYS 84 13.755 -0.203 -5.282 659 1HE LYS 84 1HE LYS 84 13.728 -1.323 -2.950 660 2HE LYS 84 2HE LYS 84 14.886 -2.484 -3.613 661 1HZ LYS 84 1HZ LYS 84 16.067 -0.705 -2.559 662 2HZ LYS 84 2HZ LYS 84 16.303 -0.515 -4.161 663 3HZ LYS 84 3HZ LYS 84 15.229 0.449 -3.359 664 H ARG 85 H ARG 85 11.596 -6.073 -3.251 665 HA ARG 85 HA ARG 85 11.526 -8.199 -5.119 666 1HB ARG 85 1HB ARG 85 11.050 -9.671 -3.177 667 2HB ARG 85 2HB ARG 85 12.443 -8.621 -2.950 668 1HG ARG 85 1HG ARG 85 11.251 -7.210 -1.409 669 2HG ARG 85 2HG ARG 85 9.700 -7.974 -1.791 670 1HD ARG 85 1HD ARG 85 10.515 -10.113 -0.859 671 2HD ARG 85 2HD ARG 85 12.058 -9.343 -0.437 672 HE ARG 85 HE ARG 85 10.540 -7.695 0.890 673 1HH1 ARG 85 1HH2 ARG 85 10.232 -11.231 0.844 674 2HH1 ARG 85 2HH2 ARG 85 9.338 -11.295 2.316 675 1HH2 ARG 85 1HH1 ARG 85 9.208 -7.733 2.664 676 2HH2 ARG 85 2HH1 ARG 85 8.809 -9.243 3.440 677 H HIS 86 H HIS 86 8.822 -6.441 -3.568 678 HA HIS 86 HA HIS 86 6.862 -8.444 -4.392 679 1HB HIS 86 1HB HIS 86 6.488 -5.575 -3.454 680 2HB HIS 86 2HB HIS 86 5.215 -6.767 -3.641 681 HD1 HIS 86 HD1 HIS 86 7.213 -9.088 -2.099 682 HD2 HIS 86 HD2 HIS 86 5.837 -5.319 -0.831 683 HE1 HIS 86 HE1 HIS 86 7.380 -9.066 0.431 684 H ILE 87 H ILE 87 8.080 -5.293 -5.664 685 HA ILE 87 HA ILE 87 6.350 -5.053 -7.871 686 HB ILE 87 HB ILE 87 9.301 -4.336 -7.601 687 1HG1 ILE 87 1HG1 ILE 87 6.768 -2.668 -7.287 688 2HG1 ILE 87 2HG1 ILE 87 7.828 -3.197 -5.985 689 1HG2 ILE 87 1HG2 ILE 87 7.379 -3.337 -9.728 690 2HG2 ILE 87 2HG2 ILE 87 9.081 -2.884 -9.530 691 3HG2 ILE 87 3HG2 ILE 87 8.675 -4.515 -10.007 692 1HD1 ILE 87 1HD1 ILE 87 8.504 -1.185 -8.156 693 2HD1 ILE 87 2HD1 ILE 87 8.305 -0.906 -6.428 694 3HD1 ILE 87 3HD1 ILE 87 9.690 -1.848 -7.007 695 H GLU 88 H GLU 88 9.392 -6.992 -7.514 696 HA GLU 88 HA GLU 88 9.423 -7.958 -10.143 697 1HB GLU 88 1HB GLU 88 11.231 -8.093 -8.362 698 2HB GLU 88 2HB GLU 88 10.337 -9.424 -7.635 699 1HG GLU 88 1HG GLU 88 12.046 -10.388 -8.936 700 2HG GLU 88 2HG GLU 88 10.542 -10.685 -9.798 701 H ARG 89 H ARG 89 7.775 -9.398 -7.237 702 HA ARG 89 HA ARG 89 6.817 -11.715 -8.671 703 1HB ARG 89 1HB ARG 89 5.931 -10.370 -6.079 704 2HB ARG 89 2HB ARG 89 4.996 -11.667 -6.808 705 1HG ARG 89 1HG ARG 89 6.345 -12.721 -5.200 706 2HG ARG 89 2HG ARG 89 7.029 -13.141 -6.779 707 1HD ARG 89 1HD ARG 89 8.700 -11.281 -6.447 708 2HD ARG 89 2HD ARG 89 8.048 -11.061 -4.806 709 HE ARG 89 HE ARG 89 8.718 -13.721 -4.898 710 1HH1 ARG 89 1HH2 ARG 89 10.434 -10.695 -5.521 711 2HH1 ARG 89 2HH2 ARG 89 12.016 -11.342 -5.210 712 1HH2 ARG 89 1HH1 ARG 89 10.811 -14.590 -4.399 713 2HH2 ARG 89 2HH1 ARG 89 12.217 -13.602 -4.498 714 H LEU 90 H LEU 90 5.388 -8.484 -8.059 715 HA LEU 90 HA LEU 90 2.860 -9.169 -9.210 716 1HB LEU 90 1HB LEU 90 4.275 -6.542 -8.673 717 2HB LEU 90 2HB LEU 90 2.621 -6.609 -9.295 718 HG LEU 90 HG LEU 90 3.451 -8.003 -6.712 719 1HD1 LEU 90 1HD1 LEU 90 3.876 -5.611 -6.434 720 2HD1 LEU 90 2HD1 LEU 90 2.235 -5.237 -7.005 721 3HD1 LEU 90 3HD1 LEU 90 2.480 -6.120 -5.483 722 1HD2 LEU 90 1HD2 LEU 90 1.354 -8.837 -7.733 723 2HD2 LEU 90 2HD2 LEU 90 1.050 -7.972 -6.237 724 3HD2 LEU 90 3HD2 LEU 90 0.727 -7.177 -7.797 725 H CYS 91 H CYS 91 5.846 -7.772 -10.650 726 HA CYS 91 HA CYS 91 4.696 -7.355 -13.249 727 1HB CYS 91 1HB CYS 91 7.575 -7.937 -12.408 728 2HB CYS 91 2HB CYS 91 7.063 -7.424 -14.025 729 HG CYS 91 HG CYS 91 6.730 -5.881 -11.127 730 H GLU 92 H GLU 92 6.230 -10.239 -11.687 731 HA GLU 92 HA GLU 92 6.167 -11.831 -14.042 732 1HB GLU 92 1HB GLU 92 7.525 -12.248 -11.955 733 2HB GLU 92 2HB GLU 92 6.044 -12.733 -11.134 734 1HG GLU 92 1HG GLU 92 7.190 -14.711 -11.812 735 2HG GLU 92 2HG GLU 92 5.750 -14.577 -12.806 736 H MET 93 H MET 93 3.772 -11.329 -11.392 737 HA MET 93 HA MET 93 1.894 -13.279 -12.323 738 1HB MET 93 1HB MET 93 1.605 -10.800 -10.575 739 2HB MET 93 2HB MET 93 0.264 -11.891 -10.939 740 1HG MET 93 1HG MET 93 1.458 -13.781 -9.949 741 2HG MET 93 2HG MET 93 2.867 -12.775 -9.647 742 1HE MET 93 1HE MET 93 -1.051 -11.912 -8.993 743 2HE MET 93 2HE MET 93 -0.789 -13.648 -8.692 744 3HE MET 93 3HE MET 93 -1.146 -12.554 -7.341 745 H ALA 94 H ALA 94 2.289 -9.781 -13.070 746 HA ALA 94 HA ALA 94 0.359 -10.119 -15.320 747 1HB ALA 94 1HB ALA 94 -0.919 -9.230 -13.412 748 2HB ALA 94 2HB ALA 94 0.257 -7.916 -13.215 749 3HB ALA 94 3HB ALA 94 -0.737 -8.009 -14.686 750 HA PRO 95 HA PRO 95 4.324 -8.121 -16.745 751 1HB PRO 95 1HB PRO 95 3.206 -9.464 -19.211 752 2HB PRO 95 2HB PRO 95 4.917 -9.256 -18.721 753 1HG PRO 95 1HG PRO 95 3.670 -11.632 -18.335 754 2HG PRO 95 2HG PRO 95 4.720 -10.953 -17.048 755 1HD PRO 95 1HD PRO 95 1.705 -10.895 -17.234 756 2HD PRO 95 2HD PRO 95 2.745 -11.218 -15.821 757 H GLU 96 H GLU 96 0.963 -8.165 -17.987 758 HA GLU 96 HA GLU 96 1.160 -5.884 -19.667 759 1HB GLU 96 1HB GLU 96 -1.286 -5.836 -19.509 760 2HB GLU 96 2HB GLU 96 -0.678 -7.438 -19.870 761 1HG GLU 96 1HG GLU 96 -1.269 -6.763 -16.980 762 2HG GLU 96 2HG GLU 96 -2.617 -6.983 -18.085 763 H MET 97 H MET 97 1.313 -6.034 -16.225 764 HA MET 97 HA MET 97 0.688 -3.121 -15.975 765 1HB MET 97 1HB MET 97 0.497 -5.387 -13.944 766 2HB MET 97 2HB MET 97 0.334 -3.685 -13.536 767 1HG MET 97 1HG MET 97 -1.472 -5.216 -15.432 768 2HG MET 97 2HG MET 97 -1.846 -4.795 -13.770 769 1HE MET 97 1HE MET 97 -1.012 -1.808 -13.342 770 2HE MET 97 2HE MET 97 -2.491 -0.974 -13.858 771 3HE MET 97 3HE MET 97 -2.606 -2.474 -12.920 772 H ARG 98 H ARG 98 3.339 -4.997 -16.485 773 HA ARG 98 HA ARG 98 4.940 -4.605 -14.226 774 1HB ARG 98 1HB ARG 98 6.816 -5.219 -15.572 775 2HB ARG 98 2HB ARG 98 5.420 -6.147 -16.105 776 1HG ARG 98 1HG ARG 98 5.168 -4.322 -17.964 777 2HG ARG 98 2HG ARG 98 6.794 -3.811 -17.495 778 1HD ARG 98 1HD ARG 98 7.639 -6.104 -17.924 779 2HD ARG 98 2HD ARG 98 6.023 -6.626 -18.402 780 HE ARG 98 HE ARG 98 7.949 -5.111 -19.946 781 1HH1 ARG 98 1HH2 ARG 98 4.447 -5.721 -19.632 782 2HH1 ARG 98 2HH2 ARG 98 4.117 -5.375 -21.295 783 1HH2 ARG 98 1HH1 ARG 98 7.481 -4.629 -22.133 784 2HH2 ARG 98 2HH1 ARG 98 5.871 -4.725 -22.734 785 H GLY 99 H GLY 99 4.269 -2.257 -16.790 786 1HA GLY 99 1HA GLY 99 6.329 -0.385 -15.913 787 2HA GLY 99 2HA GLY 99 5.070 -0.121 -17.127 788 H LYS 100 H LYS 100 3.493 -1.294 -14.400 789 HA LYS 100 HA LYS 100 2.821 1.446 -13.423 790 1HB LYS 100 1HB LYS 100 1.017 -0.901 -14.149 791 2HB LYS 100 2HB LYS 100 0.467 0.552 -13.311 792 1HG LYS 100 1HG LYS 100 1.065 1.963 -15.204 793 2HG LYS 100 2HG LYS 100 1.722 0.571 -16.092 794 1HD LYS 100 1HD LYS 100 -0.443 -0.498 -16.181 795 2HD LYS 100 2HD LYS 100 -1.153 0.736 -15.126 796 1HE LYS 100 1HE LYS 100 -0.544 2.473 -16.878 797 2HE LYS 100 2HE LYS 100 -0.085 1.143 -17.950 798 1HZ LYS 100 1HZ LYS 100 -2.324 1.824 -18.396 799 2HZ LYS 100 2HZ LYS 100 -2.408 0.339 -17.730 800 3HZ LYS 100 3HZ LYS 100 -2.793 1.677 -16.842 801 H VAL 101 H VAL 101 4.205 -1.435 -12.404 802 HA VAL 101 HA VAL 101 2.971 -1.265 -9.735 803 HB VAL 101 HB VAL 101 5.306 -3.061 -10.363 804 1HG1 VAL 101 1HG1 VAL 101 4.566 -2.660 -8.005 805 2HG1 VAL 101 2HG1 VAL 101 2.959 -3.270 -8.429 806 3HG1 VAL 101 3HG1 VAL 101 4.368 -4.338 -8.511 807 1HG2 VAL 101 1HG2 VAL 101 3.691 -4.923 -10.770 808 2HG2 VAL 101 2HG2 VAL 101 2.389 -3.722 -10.942 809 3HG2 VAL 101 3HG2 VAL 101 3.762 -3.751 -12.072 810 H MET 102 H MET 102 3.967 -0.044 -8.119 811 HA MET 102 HA MET 102 6.847 0.613 -8.320 812 1HB MET 102 1HB MET 102 4.612 2.684 -8.405 813 2HB MET 102 2HB MET 102 6.207 3.069 -7.744 814 1HG MET 102 1HG MET 102 7.293 2.378 -9.819 815 2HG MET 102 2HG MET 102 5.722 2.039 -10.550 816 1HE MET 102 1HE MET 102 4.132 5.378 -11.318 817 2HE MET 102 2HE MET 102 4.371 3.717 -11.909 818 3HE MET 102 3HE MET 102 3.762 3.992 -10.265 819 H LEU 103 H LEU 103 7.461 1.882 -6.185 820 HA LEU 103 HA LEU 103 5.916 0.625 -3.997 821 1HB LEU 103 1HB LEU 103 7.793 0.431 -2.665 822 2HB LEU 103 2HB LEU 103 8.130 -0.367 -4.186 823 HG LEU 103 HG LEU 103 9.180 2.387 -3.395 824 1HD1 LEU 103 1HD1 LEU 103 9.972 0.732 -1.808 825 2HD1 LEU 103 2HD1 LEU 103 10.460 -0.357 -3.117 826 3HD1 LEU 103 3HD1 LEU 103 11.303 1.192 -2.872 827 1HD2 LEU 103 1HD2 LEU 103 9.301 2.006 -5.846 828 2HD2 LEU 103 2HD2 LEU 103 10.904 1.996 -5.122 829 3HD2 LEU 103 3HD2 LEU 103 10.134 0.462 -5.562 830 H PHE 104 H PHE 104 5.792 1.625 -1.973 831 HA PHE 104 HA PHE 104 4.921 4.255 -1.942 832 1HB PHE 104 1HB PHE 104 5.320 2.077 -0.086 833 2HB PHE 104 2HB PHE 104 5.954 3.531 0.644 834 HD1 PHE 104 HD1 PHE 104 4.386 3.905 2.328 835 HD2 PHE 104 HD2 PHE 104 2.979 3.204 -1.660 836 HE1 PHE 104 HE1 PHE 104 2.115 4.701 2.991 837 HE2 PHE 104 HE2 PHE 104 0.711 3.969 -0.996 838 HZ PHE 104 HZ PHE 104 0.296 4.769 1.304 839 H GLY 105 H GLY 105 8.169 3.024 -1.043 840 1HA GLY 105 1HA GLY 105 9.123 5.706 -0.414 841 2HA GLY 105 2HA GLY 105 10.040 4.208 -0.348 842 H HIS 106 H HIS 106 8.459 4.587 -3.424 843 HA HIS 106 HA HIS 106 10.727 4.826 -4.996 844 1HB HIS 106 1HB HIS 106 8.600 4.273 -5.917 845 2HB HIS 106 2HB HIS 106 7.909 5.825 -5.435 846 HD1 HIS 106 HD1 HIS 106 10.685 4.581 -7.940 847 HD2 HIS 106 HD2 HIS 106 7.887 7.678 -7.236 848 HE1 HIS 106 HE1 HIS 106 10.753 6.097 -9.967 849 H TRP 107 H TRP 107 8.750 7.537 -3.688 850 HA TRP 107 HA TRP 107 10.368 9.594 -4.859 851 1HB TRP 107 1HB TRP 107 8.586 9.893 -2.447 852 2HB TRP 107 2HB TRP 107 8.922 11.084 -3.701 853 HD1 TRP 107 HD1 TRP 107 6.571 8.405 -2.648 854 HE1 TRP 107 HE1 TRP 107 4.700 8.073 -4.317 855 HE3 TRP 107 HE3 TRP 107 8.423 11.216 -6.531 856 HZ2 TRP 107 HZ2 TRP 107 4.021 8.929 -6.993 857 HZ3 TRP 107 HZ3 TRP 107 7.108 11.449 -8.624 858 HH2 TRP 107 HH2 TRP 107 4.884 10.332 -8.845 859 H ASP 108 H ASP 108 11.374 7.511 -2.556 860 HA ASP 108 HA ASP 108 13.100 9.493 -1.138 861 1HB ASP 108 1HB ASP 108 11.215 8.876 0.347 862 2HB ASP 108 2HB ASP 108 11.572 7.165 0.105 863 H ASN 109 H ASN 109 14.101 8.743 -3.240 864 HA ASN 109 HA ASN 109 15.721 7.565 -4.307 865 1HB ASN 109 1HB ASN 109 16.903 8.590 -2.404 866 2HB ASN 109 2HB ASN 109 16.619 7.138 -1.446 867 1HD2 ASN 109 2HD2 ASN 109 18.685 6.494 -1.127 868 2HD2 ASN 109 1HD2 ASN 109 19.810 6.048 -2.392 869 H GLU 110 H GLU 110 13.358 6.091 -4.026 870 HA GLU 110 HA GLU 110 12.418 4.053 -3.926 871 1HB GLU 110 1HB GLU 110 14.928 3.178 -5.391 872 2HB GLU 110 2HB GLU 110 13.325 2.423 -5.432 873 1HG GLU 110 1HG GLU 110 12.511 4.808 -6.180 874 2HG GLU 110 2HG GLU 110 14.197 5.077 -6.595 875 H CYS 111 H CYS 111 13.559 4.629 -1.492 876 HA CYS 111 HA CYS 111 14.912 2.297 -0.415 877 1HB CYS 111 1HB CYS 111 13.356 4.611 0.800 878 2HB CYS 111 2HB CYS 111 14.075 3.306 1.777 879 HG CYS 111 HG CYS 111 15.413 5.527 -0.211 880 H GLU 112 H GLU 112 14.004 0.437 0.341 881 HA GLU 112 HA GLU 112 11.052 0.169 0.190 882 1HB GLU 112 1HB GLU 112 11.481 -2.246 0.281 883 2HB GLU 112 2HB GLU 112 12.073 -1.406 -1.156 884 1HG GLU 112 1HG GLU 112 14.380 -1.558 -0.282 885 2HG GLU 112 2HG GLU 112 13.771 -2.348 1.183 886 H ILE 113 H ILE 113 10.007 -1.186 1.837 887 HA ILE 113 HA ILE 113 10.922 -0.197 4.503 888 HB ILE 113 HB ILE 113 8.092 -0.736 3.578 889 1HG1 ILE 113 1HG1 ILE 113 9.613 1.901 3.461 890 2HG1 ILE 113 2HG1 ILE 113 8.992 0.987 2.091 891 1HG2 ILE 113 1HG2 ILE 113 8.361 -0.741 5.997 892 2HG2 ILE 113 2HG2 ILE 113 9.143 0.855 5.943 893 3HG2 ILE 113 3HG2 ILE 113 7.432 0.651 5.499 894 1HD1 ILE 113 1HD1 ILE 113 7.524 2.796 2.396 895 2HD1 ILE 113 2HD1 ILE 113 6.658 1.342 2.935 896 3HD1 ILE 113 3HD1 ILE 113 7.347 2.482 4.123 897 HA PRO 114 HA PRO 114 10.830 -4.526 5.910 898 1HB PRO 114 1HB PRO 114 9.953 -3.204 8.482 899 2HB PRO 114 2HB PRO 114 11.179 -4.487 8.241 900 1HG PRO 114 1HG PRO 114 11.947 -1.920 8.648 901 2HG PRO 114 2HG PRO 114 12.764 -2.913 7.395 902 1HD PRO 114 1HD PRO 114 10.596 -0.837 7.030 903 2HD PRO 114 2HD PRO 114 12.085 -1.104 6.073 904 H ASP 115 H ASP 115 9.214 -6.002 7.022 905 HA ASP 115 HA ASP 115 6.390 -5.094 6.691 906 1HB ASP 115 1HB ASP 115 7.144 -6.955 5.180 907 2HB ASP 115 2HB ASP 115 7.429 -7.946 6.603 908 HA PRO 116 HA PRO 116 6.873 -5.397 11.085 909 1HB PRO 116 1HB PRO 116 4.393 -4.771 11.988 910 2HB PRO 116 2HB PRO 116 5.431 -3.583 11.152 911 1HG PRO 116 1HG PRO 116 3.227 -5.298 9.946 912 2HG PRO 116 2HG PRO 116 3.435 -3.524 9.798 913 1HD PRO 116 1HD PRO 116 4.349 -5.233 7.883 914 2HD PRO 116 2HD PRO 116 5.292 -3.782 8.334 915 H TYR 117 H TYR 117 4.796 -7.598 9.354 916 HA TYR 117 HA TYR 117 3.296 -9.136 10.015 917 1HB TYR 117 1HB TYR 117 5.248 -10.201 9.098 918 2HB TYR 117 2HB TYR 117 6.022 -10.267 10.676 919 HD1 TYR 117 HD1 TYR 117 6.110 -12.485 11.475 920 HD2 TYR 117 HD2 TYR 117 2.566 -11.148 9.405 921 HE1 TYR 117 HE1 TYR 117 5.042 -14.676 11.898 922 HE2 TYR 117 HE2 TYR 117 1.488 -13.335 9.823 923 HH TYR 117 HH TYR 117 1.712 -15.452 10.780 924 H ARG 118 H ARG 118 5.516 -9.967 12.729 925 HA ARG 118 HA ARG 118 3.197 -9.631 14.570 926 1HB ARG 118 1HB ARG 118 3.722 -12.025 13.581 927 2HB ARG 118 2HB ARG 118 5.104 -11.995 14.657 928 1HG ARG 118 1HG ARG 118 3.414 -13.232 15.725 929 2HG ARG 118 2HG ARG 118 3.441 -11.710 16.601 930 1HD ARG 118 1HD ARG 118 1.525 -12.301 14.309 931 2HD ARG 118 2HD ARG 118 1.156 -12.728 15.984 932 HE ARG 118 HE ARG 118 1.542 -10.239 16.478 933 1HH1 ARG 118 1HH1 ARG 118 -0.051 -11.461 13.510 934 2HH1 ARG 118 2HH1 ARG 118 -0.907 -9.945 13.266 935 1HH2 ARG 118 1HH2 ARG 118 0.369 -8.246 15.993 936 2HH2 ARG 118 2HH2 ARG 118 -0.661 -8.220 14.592 937 H LYS 119 H LYS 119 5.854 -8.132 13.993 938 HA LYS 119 HA LYS 119 7.429 -8.517 16.431 939 1HB LYS 119 1HB LYS 119 7.497 -6.425 14.211 940 2HB LYS 119 2HB LYS 119 8.639 -6.492 15.561 941 1HG LYS 119 1HG LYS 119 9.373 -8.750 14.890 942 2HG LYS 119 2HG LYS 119 8.215 -8.759 13.563 943 1HD LYS 119 1HD LYS 119 10.440 -8.288 12.717 944 2HD LYS 119 2HD LYS 119 9.358 -6.938 12.443 945 1HE LYS 119 1HE LYS 119 11.485 -6.050 13.106 946 2HE LYS 119 2HE LYS 119 10.355 -5.754 14.423 947 1HZ LYS 119 1HZ LYS 119 12.365 -7.938 14.341 948 2HZ LYS 119 2HZ LYS 119 12.485 -6.573 15.219 949 3HZ LYS 119 3HZ LYS 119 11.336 -7.667 15.585 950 H SER 120 H SER 120 7.929 -6.312 17.630 951 HA SER 120 HA SER 120 5.656 -5.827 19.226 952 1HB SER 120 1HB SER 120 8.168 -4.117 19.019 953 2HB SER 120 2HB SER 120 7.116 -4.322 20.432 954 HG SER 120 HG SER 120 9.006 -5.608 20.569 955 H ARG 121 H ARG 121 4.690 -3.670 19.733 956 HA ARG 121 HA ARG 121 3.538 -2.480 17.447 957 1HB ARG 121 1HB ARG 121 2.592 -2.485 19.801 958 2HB ARG 121 2HB ARG 121 3.734 -1.190 20.203 959 1HG ARG 121 1HG ARG 121 2.732 0.201 18.364 960 2HG ARG 121 2HG ARG 121 1.576 -1.088 18.036 961 1HD ARG 121 1HD ARG 121 1.810 0.543 20.596 962 2HD ARG 121 2HD ARG 121 0.610 0.743 19.309 963 HE ARG 121 HE ARG 121 0.616 -1.933 20.420 964 1HH1 ARG 121 1HH2 ARG 121 -0.685 1.374 20.854 965 2HH1 ARG 121 2HH2 ARG 121 -1.906 0.866 21.972 966 1HH2 ARG 121 1HH1 ARG 121 -1.090 -2.584 21.824 967 2HH2 ARG 121 2HH1 ARG 121 -2.182 -1.425 22.471 968 H GLU 122 H GLU 122 6.551 -1.663 19.145 969 HA GLU 122 HA GLU 122 6.931 0.922 18.051 970 1HB GLU 122 1HB GLU 122 8.247 -0.094 19.895 971 2HB GLU 122 2HB GLU 122 8.998 -1.211 18.747 972 1HG GLU 122 1HG GLU 122 10.014 0.694 17.538 973 2HG GLU 122 2HG GLU 122 9.183 1.833 18.602 974 H THR 123 H THR 123 7.480 -2.343 16.638 975 HA THR 123 HA THR 123 8.862 -1.352 14.292 976 HB THR 123 HB THR 123 7.290 -3.939 14.671 977 HG1 THR 123 1HG THR 123 9.074 -3.615 16.158 978 1HG2 THR 123 1HG2 THR 123 7.776 -3.399 12.296 979 2HG2 THR 123 2HG2 THR 123 9.493 -3.182 12.700 980 3HG2 THR 123 3HG2 THR 123 8.722 -4.777 12.855 981 H PHE 124 H PHE 124 5.418 -2.205 15.068 982 HA PHE 124 HA PHE 124 4.348 -1.576 12.521 983 1HB PHE 124 1HB PHE 124 3.179 -1.630 15.301 984 2HB PHE 124 2HB PHE 124 2.251 -1.026 13.948 985 HD1 PHE 124 HD1 PHE 124 3.945 -4.081 15.270 986 HD2 PHE 124 HD2 PHE 124 1.361 -2.432 12.236 987 HE1 PHE 124 HE1 PHE 124 3.235 -6.368 14.626 988 HE2 PHE 124 HE2 PHE 124 0.639 -4.728 11.614 989 HZ PHE 124 HZ PHE 124 1.561 -6.692 12.816 990 H ALA 125 H ALA 125 5.017 0.570 15.340 991 HA ALA 125 HA ALA 125 3.915 2.907 14.109 992 1HB ALA 125 1HB ALA 125 4.243 2.659 16.550 993 2HB ALA 125 2HB ALA 125 6.008 2.653 16.312 994 3HB ALA 125 3HB ALA 125 5.062 4.102 15.923 995 H ALA 126 H ALA 126 7.008 1.258 13.592 996 HA ALA 126 HA ALA 126 8.426 3.731 12.843 997 1HB ALA 126 1HB ALA 126 9.680 1.909 13.960 998 2HB ALA 126 2HB ALA 126 9.234 0.781 12.659 999 3HB ALA 126 3HB ALA 126 10.273 2.176 12.310 1000 H VAL 127 H VAL 127 7.154 0.687 11.374 1001 HA VAL 127 HA VAL 127 7.506 1.607 8.708 1002 HB VAL 127 HB VAL 127 6.081 -0.149 8.036 1003 1HG1 VAL 127 1HG1 VAL 127 8.433 -0.653 8.637 1004 2HG1 VAL 127 2HG1 VAL 127 7.895 -1.158 10.254 1005 3HG1 VAL 127 3HG1 VAL 127 7.367 -2.053 8.815 1006 1HG2 VAL 127 1HG2 VAL 127 5.449 -0.797 10.897 1007 2HG2 VAL 127 2HG2 VAL 127 4.298 -0.146 9.711 1008 3HG2 VAL 127 3HG2 VAL 127 4.994 -1.748 9.478 1009 H TYR 128 H TYR 128 4.691 1.998 10.998 1010 HA TYR 128 HA TYR 128 2.999 3.277 9.170 1011 1HB TYR 128 1HB TYR 128 2.363 2.655 11.488 1012 2HB TYR 128 2HB TYR 128 3.341 3.980 12.111 1013 HD1 TYR 128 HD1 TYR 128 0.122 3.009 10.756 1014 HD2 TYR 128 HD2 TYR 128 2.701 6.402 11.443 1015 HE1 TYR 128 HE1 TYR 128 -1.788 4.541 10.381 1016 HE2 TYR 128 HE2 TYR 128 0.825 7.931 11.010 1017 HH TYR 128 HH TYR 128 -1.445 8.111 10.503 1018 H THR 129 H THR 129 5.668 4.760 11.142 1019 HA THR 129 HA THR 129 5.192 7.412 10.232 1020 HB THR 129 HB THR 129 7.802 6.119 11.145 1021 HG1 THR 129 1HG THR 129 6.252 5.834 12.715 1022 1HG2 THR 129 1HG2 THR 129 6.886 9.033 11.170 1023 2HG2 THR 129 2HG2 THR 129 8.360 8.408 11.946 1024 3HG2 THR 129 3HG2 THR 129 8.198 8.350 10.187 1025 H LEU 130 H LEU 130 7.229 4.782 8.862 1026 HA LEU 130 HA LEU 130 8.367 6.296 6.736 1027 1HB LEU 130 1HB LEU 130 8.719 3.772 7.698 1028 2HB LEU 130 2HB LEU 130 7.654 3.384 6.375 1029 HG LEU 130 HG LEU 130 9.749 3.067 5.497 1030 1HD1 LEU 130 1HD1 LEU 130 10.242 4.718 3.802 1031 2HD1 LEU 130 2HD1 LEU 130 8.490 4.570 3.955 1032 3HD1 LEU 130 3HD1 LEU 130 9.327 5.967 4.660 1033 1HD2 LEU 130 1HD2 LEU 130 11.689 4.584 5.807 1034 2HD2 LEU 130 2HD2 LEU 130 10.683 5.636 6.832 1035 3HD2 LEU 130 3HD2 LEU 130 11.051 3.978 7.342 1036 H LEU 131 H LEU 131 5.410 4.290 6.945 1037 HA LEU 131 HA LEU 131 4.566 4.630 4.261 1038 1HB LEU 131 1HB LEU 131 3.253 3.694 6.817 1039 2HB LEU 131 2HB LEU 131 2.226 4.181 5.485 1040 HG LEU 131 HG LEU 131 3.340 2.567 3.979 1041 1HD1 LEU 131 1HD1 LEU 131 4.724 0.788 4.762 1042 2HD1 LEU 131 2HD1 LEU 131 5.489 2.283 5.322 1043 3HD1 LEU 131 3HD1 LEU 131 4.553 1.293 6.450 1044 1HD2 LEU 131 1HD2 LEU 131 2.205 0.586 4.929 1045 2HD2 LEU 131 2HD2 LEU 131 2.074 1.415 6.493 1046 3HD2 LEU 131 3HD2 LEU 131 1.215 2.044 5.066 1047 H GLU 132 H GLU 132 3.895 6.549 7.221 1048 HA GLU 132 HA GLU 132 1.884 8.163 6.103 1049 1HB GLU 132 1HB GLU 132 2.501 7.848 8.509 1050 2HB GLU 132 2HB GLU 132 3.890 8.902 8.278 1051 1HG GLU 132 1HG GLU 132 0.963 9.655 7.841 1052 2HG GLU 132 2HG GLU 132 1.867 9.966 9.319 1053 H ARG 133 H ARG 133 5.469 8.842 6.291 1054 HA ARG 133 HA ARG 133 5.173 11.240 4.767 1055 1HB ARG 133 1HB ARG 133 7.491 11.392 4.593 1056 2HB ARG 133 2HB ARG 133 7.146 10.778 6.204 1057 1HG ARG 133 1HG ARG 133 7.905 8.534 5.556 1058 2HG ARG 133 2HG ARG 133 8.106 9.055 3.866 1059 1HD ARG 133 1HD ARG 133 9.747 10.782 4.639 1060 2HD ARG 133 2HD ARG 133 9.643 10.116 6.264 1061 HE ARG 133 HE ARG 133 10.697 8.751 3.809 1062 1HH1 ARG 133 1HH2 ARG 133 10.649 8.936 7.363 1063 2HH1 ARG 133 2HH2 ARG 133 12.018 7.909 7.565 1064 1HH2 ARG 133 1HH1 ARG 133 12.516 7.442 4.063 1065 2HH2 ARG 133 2HH1 ARG 133 13.079 6.998 5.646 1066 H SER 134 H SER 134 5.733 7.870 3.746 1067 HA SER 134 HA SER 134 6.276 8.453 1.009 1068 1HB SER 134 1HB SER 134 4.990 6.033 2.317 1069 2HB SER 134 2HB SER 134 5.656 6.082 0.676 1070 HG SER 134 HG SER 134 6.986 6.264 3.175 1071 H ALA 135 H ALA 135 3.193 7.774 2.759 1072 HA ALA 135 HA ALA 135 1.502 7.909 0.497 1073 1HB ALA 135 1HB ALA 135 0.933 8.565 3.420 1074 2HB ALA 135 2HB ALA 135 -0.288 8.300 2.160 1075 3HB ALA 135 3HB ALA 135 0.783 6.968 2.650 1076 H ARG 136 H ARG 136 2.690 10.526 2.737 1077 HA ARG 136 HA ARG 136 1.178 12.608 1.474 1078 1HB ARG 136 1HB ARG 136 3.736 12.557 3.110 1079 2HB ARG 136 2HB ARG 136 3.246 14.033 2.264 1080 1HG ARG 136 1HG ARG 136 1.019 13.921 3.369 1081 2HG ARG 136 2HG ARG 136 1.581 12.521 4.302 1082 1HD ARG 136 1HD ARG 136 2.943 15.252 4.341 1083 2HD ARG 136 2HD ARG 136 1.682 14.773 5.472 1084 HE ARG 136 HE ARG 136 3.032 12.987 6.310 1085 1HH1 ARG 136 1HH2 ARG 136 4.868 15.426 4.442 1086 2HH1 ARG 136 2HH2 ARG 136 6.370 15.050 5.194 1087 1HH2 ARG 136 1HH1 ARG 136 4.932 12.530 7.279 1088 2HH2 ARG 136 2HH1 ARG 136 6.428 13.368 6.908 1089 H GLN 137 H GLN 137 4.449 11.264 0.672 1090 HA GLN 137 HA GLN 137 4.844 13.120 -1.449 1091 1HB GLN 137 1HB GLN 137 6.043 10.368 -0.960 1092 2HB GLN 137 2HB GLN 137 6.547 11.474 -2.249 1093 1HG GLN 137 1HG GLN 137 7.115 13.209 -0.583 1094 2HG GLN 137 2HG GLN 137 6.659 12.129 0.729 1095 1HE2 GLN 137 2HE2 GLN 137 9.196 13.030 -1.458 1096 2HE2 GLN 137 1HE2 GLN 137 10.293 11.709 -1.134 1097 H TRP 138 H TRP 138 3.411 9.779 -1.516 1098 HA TRP 138 HA TRP 138 2.848 9.816 -4.295 1099 1HB TRP 138 1HB TRP 138 1.730 8.291 -1.942 1100 2HB TRP 138 2HB TRP 138 0.876 8.255 -3.478 1101 HD1 TRP 138 HD1 TRP 138 4.027 6.911 -1.857 1102 HE1 TRP 138 HE1 TRP 138 5.321 5.435 -3.505 1103 HE3 TRP 138 HE3 TRP 138 1.227 7.730 -6.066 1104 HZ2 TRP 138 HZ2 TRP 138 5.158 4.677 -6.275 1105 HZ3 TRP 138 HZ3 TRP 138 1.841 6.625 -8.208 1106 HH2 TRP 138 HH2 TRP 138 3.805 5.117 -8.321 1107 H ALA 139 H ALA 139 0.852 11.036 -1.539 1108 HA ALA 139 HA ALA 139 -1.337 11.828 -3.148 1109 1HB ALA 139 1HB ALA 139 -1.461 11.622 -0.702 1110 2HB ALA 139 2HB ALA 139 -0.362 13.011 -0.516 1111 3HB ALA 139 3HB ALA 139 -1.966 13.237 -1.244 1112 H GLN 140 H GLN 140 1.668 13.604 -2.245 1113 HA GLN 140 HA GLN 140 0.970 16.082 -3.424 1114 1HB GLN 140 1HB GLN 140 2.842 15.867 -1.905 1115 2HB GLN 140 2HB GLN 140 3.647 14.710 -2.958 1116 1HG GLN 140 1HG GLN 140 4.763 16.825 -3.106 1117 2HG GLN 140 2HG GLN 140 4.029 16.459 -4.655 1118 1HE2 GLN 140 2HE2 GLN 140 2.028 17.674 -5.275 1119 2HE2 GLN 140 1HE2 GLN 140 1.785 19.268 -4.578 1120 H ALA 141 H ALA 141 2.555 13.159 -4.865 1121 HA ALA 141 HA ALA 141 2.909 14.340 -7.445 1122 1HB ALA 141 1HB ALA 141 3.238 12.024 -8.189 1123 2HB ALA 141 2HB ALA 141 4.125 12.345 -6.681 1124 3HB ALA 141 3HB ALA 141 2.611 11.411 -6.645 1125 H LEU 142 H LEU 142 0.344 12.206 -6.131 1126 HA LEU 142 HA LEU 142 -1.399 12.110 -8.328 1127 1HB LEU 142 1HB LEU 142 -1.799 12.062 -5.334 1128 2HB LEU 142 2HB LEU 142 -3.206 12.096 -6.369 1129 HG LEU 142 HG LEU 142 -1.047 9.994 -6.757 1130 1HD1 LEU 142 1HD1 LEU 142 -2.452 8.480 -5.383 1131 2HD1 LEU 142 2HD1 LEU 142 -1.792 9.815 -4.434 1132 3HD1 LEU 142 3HD1 LEU 142 -3.494 9.853 -4.942 1133 1HD2 LEU 142 1HD2 LEU 142 -2.670 10.265 -8.608 1134 2HD2 LEU 142 2HD2 LEU 142 -2.969 8.745 -7.761 1135 3HD2 LEU 142 3HD2 LEU 142 -4.020 10.130 -7.463 1136 H ASN 143 H ASN 143 -1.217 14.659 -5.783 1137 HA ASN 143 HA ASN 143 -3.402 16.199 -6.755 1138 1HB ASN 143 1HB ASN 143 -2.354 16.463 -4.493 1139 2HB ASN 143 2HB ASN 143 -0.905 17.125 -5.272 1140 1HD2 ASN 143 2HD2 ASN 143 -0.859 19.376 -5.288 1141 2HD2 ASN 143 1HD2 ASN 143 -2.270 20.395 -5.335 1142 H ALA 144 H ALA 144 0.084 16.262 -7.471 1143 HA ALA 144 HA ALA 144 -0.053 18.510 -9.333 1144 1HB ALA 144 1HB ALA 144 1.886 18.093 -7.802 1145 2HB ALA 144 2HB ALA 144 2.191 16.559 -8.650 1146 3HB ALA 144 3HB ALA 144 2.344 18.117 -9.503 1147 H GLU 145 H GLU 145 1.813 17.204 -11.012 1148 HA GLU 145 HA GLU 145 1.708 16.643 -13.270 1149 1HB GLU 145 1HB GLU 145 1.259 14.242 -11.502 1150 2HB GLU 145 2HB GLU 145 1.763 14.075 -13.197 1151 1HG GLU 145 1HG GLU 145 3.317 15.475 -10.979 1152 2HG GLU 145 2HG GLU 145 3.644 13.875 -11.622 1153 H GLN 146 H GLN 146 -0.816 17.742 -12.703 1154 HA GLN 146 HA GLN 146 -2.826 16.103 -13.992 1155 1HB GLN 146 1HB GLN 146 -2.728 19.107 -13.434 1156 2HB GLN 146 2HB GLN 146 -4.150 18.213 -13.979 1157 1HG GLN 146 1HG GLN 146 -2.725 17.893 -11.302 1158 2HG GLN 146 2HG GLN 146 -4.265 18.678 -11.577 1159 1HE2 GLN 146 2HE2 GLN 146 -2.782 15.699 -10.755 1160 2HE2 GLN 146 1HE2 GLN 146 -4.212 14.703 -10.863 1161 H VAL 147 H VAL 147 -3.693 16.492 -16.042 1162 HA VAL 147 HA VAL 147 -2.025 17.755 -18.104 1163 HB VAL 147 HB VAL 147 -2.137 15.497 -19.331 1164 1HG1 VAL 147 1HG1 VAL 147 -0.313 15.603 -16.890 1165 2HG1 VAL 147 2HG1 VAL 147 -0.041 14.705 -18.393 1166 3HG1 VAL 147 3HG1 VAL 147 -0.037 16.474 -18.415 1167 1HG2 VAL 147 1HG2 VAL 147 -2.159 13.447 -17.983 1168 2HG2 VAL 147 2HG2 VAL 147 -2.462 14.370 -16.496 1169 3HG2 VAL 147 3HG2 VAL 147 -3.692 14.303 -17.781 Start of MODEL 2 1 H MET 1 H MET 1 -4.538 10.435 -15.848 2 HA MET 1 HA MET 1 -3.362 10.102 -13.771 3 1HB MET 1 1HB MET 1 -5.046 11.947 -14.058 4 2HB MET 1 2HB MET 1 -6.267 10.931 -13.294 5 1HG MET 1 1HG MET 1 -3.638 11.669 -11.947 6 2HG MET 1 2HG MET 1 -5.058 12.708 -11.894 7 1HE MET 1 1HE MET 1 -4.657 12.695 -9.202 8 2HE MET 1 2HE MET 1 -4.678 11.194 -8.241 9 3HE MET 1 3HE MET 1 -3.347 11.513 -9.396 10 H PHE 2 H PHE 2 -3.184 8.981 -11.770 11 HA PHE 2 HA PHE 2 -4.217 6.313 -11.648 12 1HB PHE 2 1HB PHE 2 -2.812 7.929 -9.502 13 2HB PHE 2 2HB PHE 2 -2.933 6.180 -9.590 14 HD1 PHE 2 HD1 PHE 2 -2.129 5.625 -12.429 15 HD2 PHE 2 HD2 PHE 2 -0.529 8.396 -9.536 16 HE1 PHE 2 HE1 PHE 2 0.098 5.456 -13.491 17 HE2 PHE 2 HE2 PHE 2 1.690 8.228 -10.604 18 HZ PHE 2 HZ PHE 2 2.020 6.742 -12.576 19 H ASN 3 H ASN 3 -6.584 7.444 -11.796 20 HA ASN 3 HA ASN 3 -7.724 8.625 -9.509 21 1HB ASN 3 1HB ASN 3 -8.771 8.711 -11.721 22 2HB ASN 3 2HB ASN 3 -9.050 6.964 -11.684 23 1HD2 ASN 3 2HD2 ASN 3 -9.896 10.042 -9.978 24 2HD2 ASN 3 1HD2 ASN 3 -11.415 9.457 -9.361 25 H ASN 4 H ASN 4 -7.310 5.210 -10.330 26 HA ASN 4 HA ASN 4 -8.587 4.409 -7.744 27 1HB ASN 4 1HB ASN 4 -10.040 4.030 -9.742 28 2HB ASN 4 2HB ASN 4 -8.750 3.073 -10.481 29 1HD2 ASN 4 2HD2 ASN 4 -10.130 1.137 -10.523 30 2HD2 ASN 4 1HD2 ASN 4 -10.432 0.279 -9.037 31 H ILE 5 H ILE 5 -7.133 3.420 -6.440 32 HA ILE 5 HA ILE 5 -4.692 2.195 -7.687 33 HB ILE 5 HB ILE 5 -5.060 4.015 -5.275 34 1HG1 ILE 5 1HG1 ILE 5 -3.232 4.463 -7.661 35 2HG1 ILE 5 2HG1 ILE 5 -4.903 5.003 -7.674 36 1HG2 ILE 5 1HG2 ILE 5 -3.386 2.368 -4.606 37 2HG2 ILE 5 2HG2 ILE 5 -2.514 2.572 -6.142 38 3HG2 ILE 5 3HG2 ILE 5 -2.572 3.879 -4.943 39 1HD1 ILE 5 1HD1 ILE 5 -3.493 6.834 -7.051 40 2HD1 ILE 5 2HD1 ILE 5 -4.521 6.386 -5.679 41 3HD1 ILE 5 3HD1 ILE 5 -2.794 5.935 -5.702 42 H LEU 6 H LEU 6 -3.783 0.399 -6.648 43 HA LEU 6 HA LEU 6 -5.361 -0.817 -4.408 44 1HB LEU 6 1HB LEU 6 -6.028 -1.631 -6.606 45 2HB LEU 6 2HB LEU 6 -4.406 -2.173 -6.961 46 HG LEU 6 HG LEU 6 -6.089 -3.918 -6.379 47 1HD1 LEU 6 1HD1 LEU 6 -4.682 -5.316 -5.137 48 2HD1 LEU 6 2HD1 LEU 6 -3.645 -4.292 -6.122 49 3HD1 LEU 6 3HD1 LEU 6 -3.827 -3.946 -4.387 50 1HD2 LEU 6 1HD2 LEU 6 -7.297 -2.686 -4.599 51 2HD2 LEU 6 2HD2 LEU 6 -6.802 -4.313 -4.107 52 3HD2 LEU 6 3HD2 LEU 6 -5.892 -2.904 -3.524 53 H VAL 7 H VAL 7 -4.010 -0.977 -2.716 54 HA VAL 7 HA VAL 7 -1.111 -1.049 -3.132 55 HB VAL 7 HB VAL 7 -2.720 -1.128 -0.544 56 1HG1 VAL 7 1HG1 VAL 7 -0.617 -0.263 0.448 57 2HG1 VAL 7 2HG1 VAL 7 -0.378 -1.853 -0.256 58 3HG1 VAL 7 3HG1 VAL 7 0.197 -0.411 -1.121 59 1HG2 VAL 7 1HG2 VAL 7 -2.232 1.306 -0.374 60 2HG2 VAL 7 2HG2 VAL 7 -1.554 1.283 -2.017 61 3HG2 VAL 7 3HG2 VAL 7 -3.279 0.953 -1.744 62 H VAL 8 H VAL 8 0.219 -2.857 -2.724 63 HA VAL 8 HA VAL 8 -1.146 -5.432 -2.069 64 HB VAL 8 HB VAL 8 0.891 -4.936 -4.282 65 1HG1 VAL 8 1HG1 VAL 8 1.014 -7.226 -3.290 66 2HG1 VAL 8 2HG1 VAL 8 -0.736 -7.429 -3.573 67 3HG1 VAL 8 3HG1 VAL 8 0.383 -7.254 -4.931 68 1HG2 VAL 8 1HG2 VAL 8 -2.069 -5.585 -4.532 69 2HG2 VAL 8 2HG2 VAL 8 -1.337 -4.002 -4.896 70 3HG2 VAL 8 3HG2 VAL 8 -0.906 -5.397 -5.863 71 H CYS 9 H CYS 9 -0.159 -6.439 -0.408 72 HA CYS 9 HA CYS 9 2.779 -6.041 0.012 73 1HB CYS 9 1HB CYS 9 0.627 -5.929 2.177 74 2HB CYS 9 2HB CYS 9 2.367 -5.741 2.411 75 HG CYS 9 HG CYS 9 0.067 -3.848 1.166 76 H VAL 10 H VAL 10 3.389 -7.609 2.023 77 HA VAL 10 HA VAL 10 2.242 -10.308 1.391 78 HB VAL 10 HB VAL 10 4.252 -11.168 2.614 79 1HG1 VAL 10 1HG1 VAL 10 4.779 -9.569 0.070 80 2HG1 VAL 10 2HG1 VAL 10 5.770 -10.913 0.682 81 3HG1 VAL 10 3HG1 VAL 10 4.105 -11.209 0.165 82 1HG2 VAL 10 1HG2 VAL 10 6.247 -9.799 2.863 83 2HG2 VAL 10 2HG2 VAL 10 5.415 -8.364 2.243 84 3HG2 VAL 10 3HG2 VAL 10 4.940 -9.073 3.804 85 H GLY 11 H GLY 11 1.369 -11.489 3.177 86 1HA GLY 11 1HA GLY 11 0.335 -11.728 5.236 87 2HA GLY 11 2HA GLY 11 1.132 -10.259 5.820 88 H ASN 12 H ASN 12 0.262 -8.465 3.790 89 HA ASN 12 HA ASN 12 -1.374 -7.199 2.961 90 1HB ASN 12 1HB ASN 12 -2.347 -9.267 2.079 91 2HB ASN 12 2HB ASN 12 -3.326 -9.451 3.539 92 1HD2 ASN 12 1HD2 ASN 12 -3.445 -6.126 3.073 93 2HD2 ASN 12 2HD2 ASN 12 -4.755 -6.104 1.901 94 H ILE 13 H ILE 13 -2.562 -8.790 5.961 95 HA ILE 13 HA ILE 13 -4.425 -6.799 6.574 96 HB ILE 13 HB ILE 13 -4.531 -7.885 8.790 97 1HG1 ILE 13 1HG1 ILE 13 -2.207 -9.644 7.868 98 2HG1 ILE 13 2HG1 ILE 13 -2.069 -8.346 9.047 99 1HG2 ILE 13 1HG2 ILE 13 -4.349 -9.880 6.482 100 2HG2 ILE 13 2HG2 ILE 13 -5.296 -10.042 7.972 101 3HG2 ILE 13 3HG2 ILE 13 -5.718 -8.786 6.823 102 1HD1 ILE 13 1HD1 ILE 13 -3.777 -9.513 10.481 103 2HD1 ILE 13 2HD1 ILE 13 -3.710 -10.885 9.346 104 3HD1 ILE 13 3HD1 ILE 13 -2.264 -10.410 10.250 105 H CYS 14 H CYS 14 -1.215 -6.068 6.577 106 HA CYS 14 HA CYS 14 -1.417 -4.304 8.998 107 1HB CYS 14 1HB CYS 14 1.123 -5.592 7.891 108 2HB CYS 14 2HB CYS 14 0.987 -4.520 9.291 109 HG CYS 14 HG CYS 14 -0.627 -6.099 10.647 110 H ARG 15 H ARG 15 0.867 -4.479 6.190 111 HA ARG 15 HA ARG 15 1.149 -1.646 6.092 112 1HB ARG 15 1HB ARG 15 1.656 -3.861 4.097 113 2HB ARG 15 2HB ARG 15 1.972 -2.169 3.701 114 1HG ARG 15 1HG ARG 15 3.760 -2.035 5.330 115 2HG ARG 15 2HG ARG 15 3.407 -3.693 5.905 116 1HD ARG 15 1HD ARG 15 3.778 -4.594 3.672 117 2HD ARG 15 2HD ARG 15 4.030 -2.980 2.997 118 HE ARG 15 HE ARG 15 6.056 -3.208 4.861 119 1HH1 ARG 15 1HH2 ARG 15 4.954 -5.139 2.072 120 2HH1 ARG 15 2HH2 ARG 15 6.510 -5.804 1.727 121 1HH2 ARG 15 1HH1 ARG 15 8.156 -3.907 4.208 122 2HH2 ARG 15 2HH1 ARG 15 8.334 -5.189 3.037 123 H SER 16 H SER 16 -0.773 -3.848 3.904 124 HA SER 16 HA SER 16 -1.449 -1.859 2.144 125 1HB SER 16 1HB SER 16 -3.357 -4.108 2.693 126 2HB SER 16 2HB SER 16 -2.964 -3.308 1.161 127 HG SER 16 HG SER 16 -1.915 -5.229 1.131 128 HA PRO 17 HA PRO 17 -5.561 -0.763 4.259 129 1HB PRO 17 1HB PRO 17 -5.912 -1.194 6.969 130 2HB PRO 17 2HB PRO 17 -6.477 -2.278 5.674 131 1HG PRO 17 1HG PRO 17 -3.955 -2.503 7.331 132 2HG PRO 17 2HG PRO 17 -5.121 -3.796 6.903 133 1HD PRO 17 1HD PRO 17 -2.809 -3.472 5.542 134 2HD PRO 17 2HD PRO 17 -4.313 -3.928 4.697 135 H THR 18 H THR 18 -2.561 -0.639 6.229 136 HA THR 18 HA THR 18 -3.156 1.887 7.485 137 HB THR 18 HB THR 18 -0.464 0.563 6.903 138 HG1 THR 18 1HG THR 18 -1.436 -0.878 8.131 139 1HG2 THR 18 1HG2 THR 18 -1.313 2.639 8.965 140 2HG2 THR 18 2HG2 THR 18 0.252 1.788 8.960 141 3HG2 THR 18 3HG2 THR 18 -0.164 2.872 7.630 142 H ALA 19 H ALA 19 -1.291 0.916 4.553 143 HA ALA 19 HA ALA 19 -0.640 3.535 3.650 144 1HB ALA 19 1HB ALA 19 -0.535 2.236 1.403 145 2HB ALA 19 2HB ALA 19 0.515 1.676 2.736 146 3HB ALA 19 3HB ALA 19 -0.993 0.815 2.345 147 H GLU 20 H GLU 20 -3.411 1.359 2.813 148 HA GLU 20 HA GLU 20 -4.659 2.927 0.894 149 1HB GLU 20 1HB GLU 20 -5.376 0.653 1.498 150 2HB GLU 20 2HB GLU 20 -5.872 1.204 3.100 151 1HG GLU 20 1HG GLU 20 -7.572 2.724 1.933 152 2HG GLU 20 2HG GLU 20 -7.152 1.871 0.447 153 H ARG 21 H ARG 21 -5.199 3.027 4.463 154 HA ARG 21 HA ARG 21 -7.046 5.229 4.154 155 1HB ARG 21 1HB ARG 21 -5.688 4.094 6.644 156 2HB ARG 21 2HB ARG 21 -7.016 5.259 6.651 157 1HG ARG 21 1HG ARG 21 -7.199 2.476 5.461 158 2HG ARG 21 2HG ARG 21 -7.759 2.930 7.063 159 1HD ARG 21 1HD ARG 21 -9.535 4.216 6.263 160 2HD ARG 21 2HD ARG 21 -8.840 4.420 4.651 161 HE ARG 21 HE ARG 21 -9.362 2.241 4.008 162 1HH1 ARG 21 1HH2 ARG 21 -10.595 2.748 7.358 163 2HH1 ARG 21 2HH2 ARG 21 -11.555 1.289 7.244 164 1HH2 ARG 21 1HH1 ARG 21 -10.442 0.409 4.039 165 2HH2 ARG 21 2HH1 ARG 21 -11.461 -0.064 5.414 166 H LEU 22 H LEU 22 -3.549 5.095 4.922 167 HA LEU 22 HA LEU 22 -3.378 7.850 5.688 168 1HB LEU 22 1HB LEU 22 -1.422 5.840 4.527 169 2HB LEU 22 2HB LEU 22 -0.941 7.514 4.762 170 HG LEU 22 HG LEU 22 -2.115 5.875 7.050 171 1HD1 LEU 22 1HD1 LEU 22 -0.154 4.688 6.239 172 2HD1 LEU 22 2HD1 LEU 22 0.785 6.174 6.200 173 3HD1 LEU 22 3HD1 LEU 22 0.249 5.507 7.760 174 1HD2 LEU 22 1HD2 LEU 22 -0.807 7.588 8.381 175 2HD2 LEU 22 2HD2 LEU 22 -0.513 8.465 6.870 176 3HD2 LEU 22 3HD2 LEU 22 -2.166 8.255 7.479 177 H LEU 23 H LEU 23 -3.015 6.254 2.482 178 HA LEU 23 HA LEU 23 -2.576 8.656 0.990 179 1HB LEU 23 1HB LEU 23 -3.783 5.951 0.287 180 2HB LEU 23 2HB LEU 23 -3.567 7.219 -0.914 181 HG LEU 23 HG LEU 23 -1.233 6.182 0.740 182 1HD1 LEU 23 1HD1 LEU 23 -2.284 5.153 -1.929 183 2HD1 LEU 23 2HD1 LEU 23 -0.679 4.791 -1.267 184 3HD1 LEU 23 3HD1 LEU 23 -2.119 4.246 -0.401 185 1HD2 LEU 23 1HD2 LEU 23 0.105 7.059 -1.130 186 2HD2 LEU 23 2HD2 LEU 23 -1.367 7.623 -1.947 187 3HD2 LEU 23 3HD2 LEU 23 -0.863 8.349 -0.407 188 H GLN 24 H GLN 24 -5.608 6.916 1.897 189 HA GLN 24 HA GLN 24 -7.243 8.724 0.414 190 1HB GLN 24 1HB GLN 24 -7.810 6.382 0.968 191 2HB GLN 24 2HB GLN 24 -8.050 6.839 2.666 192 1HG GLN 24 1HG GLN 24 -9.960 8.170 2.136 193 2HG GLN 24 2HG GLN 24 -9.504 8.291 0.430 194 1HE2 GLN 24 2HE2 GLN 24 -10.130 6.749 -1.027 195 2HE2 GLN 24 1HE2 GLN 24 -11.060 5.315 -0.577 196 H ARG 25 H ARG 25 -6.074 8.814 3.809 197 HA ARG 25 HA ARG 25 -7.775 10.876 4.723 198 1HB ARG 25 1HB ARG 25 -6.171 9.528 6.121 199 2HB ARG 25 2HB ARG 25 -4.832 10.417 5.389 200 1HG ARG 25 1HG ARG 25 -5.902 12.563 6.319 201 2HG ARG 25 2HG ARG 25 -7.062 11.519 7.151 202 1HD ARG 25 1HD ARG 25 -5.324 12.070 8.714 203 2HD ARG 25 2HD ARG 25 -5.120 10.365 8.274 204 HE ARG 25 HE ARG 25 -3.576 12.182 6.606 205 1HH1 ARG 25 1HH2 ARG 25 -3.461 10.521 9.792 206 2HH1 ARG 25 2HH2 ARG 25 -1.703 10.538 9.794 207 1HH2 ARG 25 1HH1 ARG 25 -1.225 12.161 6.801 208 2HH2 ARG 25 2HH1 ARG 25 -0.550 11.417 8.232 209 H TYR 26 H TYR 26 -4.613 11.014 3.001 210 HA TYR 26 HA TYR 26 -4.645 13.863 2.727 211 1HB TYR 26 1HB TYR 26 -3.188 11.743 1.107 212 2HB TYR 26 2HB TYR 26 -2.911 13.478 1.013 213 HD1 TYR 26 HD1 TYR 26 -2.657 14.568 3.583 214 HD2 TYR 26 HD2 TYR 26 -1.410 10.663 2.230 215 HE1 TYR 26 HE1 TYR 26 -0.914 14.529 5.320 216 HE2 TYR 26 HE2 TYR 26 0.354 10.626 3.968 217 HH TYR 26 HH TYR 26 1.416 11.808 5.654 218 H HIS 27 H HIS 27 -6.124 11.277 0.740 219 HA HIS 27 HA HIS 27 -7.301 13.365 -1.001 220 1HB HIS 27 1HB HIS 27 -5.361 11.252 -1.780 221 2HB HIS 27 2HB HIS 27 -6.800 11.360 -2.782 222 HD1 HIS 27 HD1 HIS 27 -7.435 14.181 -3.262 223 HD2 HIS 27 HD2 HIS 27 -3.491 12.739 -2.929 224 HE1 HIS 27 HE1 HIS 27 -5.932 15.866 -4.495 225 HA PRO 28 HA PRO 28 -10.418 10.406 0.595 226 1HB PRO 28 1HB PRO 28 -12.462 12.183 1.060 227 2HB PRO 28 2HB PRO 28 -11.107 11.901 2.195 228 1HG PRO 28 1HG PRO 28 -11.372 14.099 0.121 229 2HG PRO 28 2HG PRO 28 -10.925 14.259 1.852 230 1HD PRO 28 1HD PRO 28 -9.046 14.178 -0.104 231 2HD PRO 28 2HD PRO 28 -8.766 13.367 1.466 232 H GLU 29 H GLU 29 -10.229 12.426 -2.200 233 HA GLU 29 HA GLU 29 -12.729 11.260 -3.329 234 1HB GLU 29 1HB GLU 29 -12.820 13.107 -4.802 235 2HB GLU 29 2HB GLU 29 -12.664 13.700 -3.159 236 1HG GLU 29 1HG GLU 29 -10.345 13.548 -5.139 237 2HG GLU 29 2HG GLU 29 -11.376 14.949 -4.938 238 H LEU 30 H LEU 30 -9.720 10.240 -3.202 239 HA LEU 30 HA LEU 30 -9.676 9.278 -6.038 240 1HB LEU 30 1HB LEU 30 -7.377 9.647 -4.070 241 2HB LEU 30 2HB LEU 30 -7.267 8.585 -5.448 242 HG LEU 30 HG LEU 30 -6.172 10.760 -5.773 243 1HD1 LEU 30 1HD1 LEU 30 -6.759 9.389 -7.660 244 2HD1 LEU 30 2HD1 LEU 30 -8.416 10.046 -7.700 245 3HD1 LEU 30 3HD1 LEU 30 -7.037 11.089 -8.080 246 1HD2 LEU 30 1HD2 LEU 30 -7.949 12.213 -4.689 247 2HD2 LEU 30 2HD2 LEU 30 -7.329 12.776 -6.249 248 3HD2 LEU 30 3HD2 LEU 30 -8.915 11.990 -6.163 249 H LYS 31 H LYS 31 -9.472 6.923 -6.190 250 HA LYS 31 HA LYS 31 -10.724 5.678 -3.786 251 1HB LYS 31 1HB LYS 31 -11.978 5.351 -5.881 252 2HB LYS 31 2HB LYS 31 -10.530 4.739 -6.676 253 1HG LYS 31 1HG LYS 31 -11.869 2.855 -6.130 254 2HG LYS 31 2HG LYS 31 -10.484 2.819 -5.063 255 1HD LYS 31 1HD LYS 31 -11.956 2.457 -3.400 256 2HD LYS 31 2HD LYS 31 -12.318 4.171 -3.482 257 1HE LYS 31 1HE LYS 31 -14.376 2.929 -3.485 258 2HE LYS 31 2HE LYS 31 -14.189 3.698 -5.064 259 1HZ LYS 31 1HZ LYS 31 -13.470 0.856 -4.527 260 2HZ LYS 31 2HZ LYS 31 -14.923 1.338 -5.128 261 3HZ LYS 31 3HZ LYS 31 -13.560 1.589 -5.987 262 H VAL 32 H VAL 32 -9.463 4.371 -2.558 263 HA VAL 32 HA VAL 32 -7.013 3.198 -3.739 264 HB VAL 32 HB VAL 32 -7.065 4.474 -0.969 265 1HG1 VAL 32 1HG1 VAL 32 -4.623 4.166 -1.104 266 2HG1 VAL 32 2HG1 VAL 32 -5.439 2.616 -1.343 267 3HG1 VAL 32 3HG1 VAL 32 -4.771 3.488 -2.736 268 1HG2 VAL 32 1HG2 VAL 32 -5.580 6.252 -1.873 269 2HG2 VAL 32 2HG2 VAL 32 -5.897 5.670 -3.521 270 3HG2 VAL 32 3HG2 VAL 32 -7.209 6.349 -2.529 271 H GLU 33 H GLU 33 -6.939 1.064 -3.234 272 HA GLU 33 HA GLU 33 -8.497 0.056 -0.891 273 1HB GLU 33 1HB GLU 33 -8.568 -0.963 -3.756 274 2HB GLU 33 2HB GLU 33 -9.114 -1.884 -2.343 275 1HG GLU 33 1HG GLU 33 -10.761 -0.137 -1.808 276 2HG GLU 33 2HG GLU 33 -10.281 0.749 -3.268 277 H SER 34 H SER 34 -7.852 -2.427 -0.661 278 HA SER 34 HA SER 34 -4.884 -2.631 -0.907 279 1HB SER 34 1HB SER 34 -5.150 -3.609 1.470 280 2HB SER 34 2HB SER 34 -5.250 -1.850 1.265 281 HG SER 34 HG SER 34 -7.401 -1.896 1.543 282 H ALA 35 H ALA 35 -3.974 -4.677 -0.941 283 HA ALA 35 HA ALA 35 -5.501 -7.135 -0.607 284 1HB ALA 35 1HB ALA 35 -5.090 -7.985 -2.871 285 2HB ALA 35 2HB ALA 35 -5.993 -6.474 -3.022 286 3HB ALA 35 3HB ALA 35 -4.234 -6.499 -3.312 287 H GLY 36 H GLY 36 -3.683 -8.964 -1.457 288 1HA GLY 36 1HA GLY 36 -0.947 -7.928 -1.200 289 2HA GLY 36 2HA GLY 36 -1.458 -9.078 0.029 290 H LEU 37 H LEU 37 0.739 -9.443 -1.615 291 HA LEU 37 HA LEU 37 0.089 -11.259 -3.814 292 1HB LEU 37 1HB LEU 37 2.153 -9.716 -3.499 293 2HB LEU 37 2HB LEU 37 2.776 -10.943 -2.403 294 HG LEU 37 HG LEU 37 2.024 -11.342 -5.332 295 1HD1 LEU 37 1HD1 LEU 37 4.399 -11.382 -5.780 296 2HD1 LEU 37 2HD1 LEU 37 4.010 -9.877 -4.941 297 3HD1 LEU 37 3HD1 LEU 37 4.785 -11.201 -4.049 298 1HD2 LEU 37 1HD2 LEU 37 3.385 -13.470 -5.138 299 2HD2 LEU 37 2HD2 LEU 37 3.344 -13.272 -3.372 300 3HD2 LEU 37 3HD2 LEU 37 1.844 -13.513 -4.305 301 H GLY 38 H GLY 38 1.398 -11.497 -0.476 302 1HA GLY 38 1HA GLY 38 0.549 -14.368 -0.333 303 2HA GLY 38 2HA GLY 38 1.820 -13.614 0.647 304 H ALA 39 H ALA 39 -1.578 -12.816 -0.261 305 HA ALA 39 HA ALA 39 -2.066 -11.456 2.242 306 1HB ALA 39 1HB ALA 39 -3.138 -10.852 0.043 307 2HB ALA 39 2HB ALA 39 -4.012 -12.400 0.090 308 3HB ALA 39 3HB ALA 39 -4.328 -11.153 1.309 309 H LEU 40 H LEU 40 -4.136 -11.935 3.462 310 HA LEU 40 HA LEU 40 -4.530 -14.867 3.943 311 1HB LEU 40 1HB LEU 40 -4.621 -12.510 5.879 312 2HB LEU 40 2HB LEU 40 -5.058 -14.170 6.276 313 HG LEU 40 HG LEU 40 -2.271 -13.295 5.386 314 1HD1 LEU 40 1HD1 LEU 40 -1.648 -13.541 7.755 315 2HD1 LEU 40 2HD1 LEU 40 -2.858 -12.274 7.523 316 3HD1 LEU 40 3HD1 LEU 40 -3.347 -13.854 8.180 317 1HD2 LEU 40 1HD2 LEU 40 -3.270 -15.921 6.581 318 2HD2 LEU 40 2HD2 LEU 40 -2.674 -15.676 4.923 319 3HD2 LEU 40 3HD2 LEU 40 -1.569 -15.500 6.286 320 H VAL 41 H VAL 41 -6.209 -14.948 2.400 321 HA VAL 41 HA VAL 41 -8.173 -13.118 1.854 322 HB VAL 41 HB VAL 41 -9.295 -15.346 1.235 323 1HG1 VAL 41 1HG1 VAL 41 -7.794 -15.634 -0.737 324 2HG1 VAL 41 2HG1 VAL 41 -8.232 -13.957 -0.422 325 3HG1 VAL 41 3HG1 VAL 41 -6.619 -14.558 0.049 326 1HG2 VAL 41 1HG2 VAL 41 -8.030 -17.339 1.023 327 2HG2 VAL 41 2HG2 VAL 41 -6.580 -16.588 1.697 328 3HG2 VAL 41 3HG2 VAL 41 -8.009 -16.869 2.724 329 H GLY 42 H GLY 42 -9.690 -12.217 3.028 330 1HA GLY 42 1HA GLY 42 -11.766 -12.284 4.069 331 2HA GLY 42 2HA GLY 42 -11.452 -13.917 4.663 332 H LYS 43 H LYS 43 -8.694 -12.068 5.458 333 HA LYS 43 HA LYS 43 -9.633 -12.074 8.276 334 1HB LYS 43 1HB LYS 43 -6.911 -11.772 6.965 335 2HB LYS 43 2HB LYS 43 -7.167 -11.363 8.654 336 1HG LYS 43 1HG LYS 43 -6.262 -13.667 8.287 337 2HG LYS 43 2HG LYS 43 -7.727 -13.592 9.272 338 1HD LYS 43 1HD LYS 43 -9.109 -14.355 7.487 339 2HD LYS 43 2HD LYS 43 -7.802 -14.147 6.304 340 1HE LYS 43 1HE LYS 43 -6.560 -16.002 7.263 341 2HE LYS 43 2HE LYS 43 -7.774 -16.205 8.539 342 1HZ LYS 43 1HZ LYS 43 -8.464 -16.399 5.660 343 2HZ LYS 43 2HZ LYS 43 -8.024 -17.710 6.559 344 3HZ LYS 43 3HZ LYS 43 -9.367 -16.869 6.934 345 H GLY 44 H GLY 44 -9.701 -10.275 9.601 346 1HA GLY 44 1HA GLY 44 -10.227 -7.717 8.347 347 2HA GLY 44 2HA GLY 44 -10.176 -8.070 10.078 348 H ALA 45 H ALA 45 -9.116 -5.760 9.472 349 HA ALA 45 HA ALA 45 -6.312 -5.722 8.819 350 1HB ALA 45 1HB ALA 45 -6.379 -3.476 9.967 351 2HB ALA 45 2HB ALA 45 -7.558 -3.661 8.663 352 3HB ALA 45 3HB ALA 45 -8.090 -3.772 10.349 353 H ASP 46 H ASP 46 -4.527 -5.593 10.202 354 HA ASP 46 HA ASP 46 -4.574 -7.476 12.331 355 1HB ASP 46 1HB ASP 46 -2.653 -6.991 10.839 356 2HB ASP 46 2HB ASP 46 -2.451 -5.412 11.602 357 HA PRO 47 HA PRO 47 -5.918 -4.726 15.561 358 1HB PRO 47 1HB PRO 47 -5.015 -6.001 17.842 359 2HB PRO 47 2HB PRO 47 -6.440 -6.505 16.886 360 1HG PRO 47 1HG PRO 47 -3.612 -7.586 16.728 361 2HG PRO 47 2HG PRO 47 -5.149 -8.507 16.812 362 1HD PRO 47 1HD PRO 47 -3.902 -8.076 14.453 363 2HD PRO 47 2HD PRO 47 -5.684 -7.982 14.558 364 H THR 48 H THR 48 -2.470 -5.505 15.220 365 HA THR 48 HA THR 48 -1.611 -3.471 17.138 366 HB THR 48 HB THR 48 0.223 -4.421 14.976 367 HG1 THR 48 1HG THR 48 -0.797 -6.270 15.259 368 1HG2 THR 48 1HG2 THR 48 1.787 -4.678 16.864 369 2HG2 THR 48 2HG2 THR 48 1.035 -3.073 16.870 370 3HG2 THR 48 3HG2 THR 48 0.477 -4.321 18.012 371 H ALA 49 H ALA 49 -2.042 -3.826 13.583 372 HA ALA 49 HA ALA 49 -1.085 -1.221 12.878 373 1HB ALA 49 1HB ALA 49 -1.368 -3.070 11.250 374 2HB ALA 49 2HB ALA 49 -3.126 -3.020 11.487 375 3HB ALA 49 3HB ALA 49 -2.284 -1.633 10.765 376 H ILE 50 H ILE 50 -4.384 -2.496 13.629 377 HA ILE 50 HA ILE 50 -5.774 -0.043 13.356 378 HB ILE 50 HB ILE 50 -6.268 -2.415 15.176 379 1HG1 ILE 50 1HG1 ILE 50 -7.734 -1.644 12.609 380 2HG1 ILE 50 2HG1 ILE 50 -6.367 -2.745 12.610 381 1HG2 ILE 50 1HG2 ILE 50 -8.186 -0.128 14.514 382 2HG2 ILE 50 2HG2 ILE 50 -8.612 -1.591 15.426 383 3HG2 ILE 50 3HG2 ILE 50 -7.467 -0.457 16.104 384 1HD1 ILE 50 1HD1 ILE 50 -8.406 -4.036 12.585 385 2HD1 ILE 50 2HD1 ILE 50 -7.613 -4.278 14.147 386 3HD1 ILE 50 3HD1 ILE 50 -9.032 -3.215 14.009 387 H SER 51 H SER 51 -4.119 -1.442 16.288 388 HA SER 51 HA SER 51 -4.880 0.645 18.023 389 1HB SER 51 1HB SER 51 -2.351 -1.058 18.098 390 2HB SER 51 2HB SER 51 -3.012 -0.103 19.436 391 HG SER 51 HG SER 51 -4.167 -2.358 18.141 392 H VAL 52 H VAL 52 -1.855 0.343 16.042 393 HA VAL 52 HA VAL 52 -0.814 2.865 16.903 394 HB VAL 52 HB VAL 52 -0.251 1.129 14.465 395 1HG1 VAL 52 1HG1 VAL 52 1.849 2.385 14.196 396 2HG1 VAL 52 2HG1 VAL 52 0.461 3.442 13.937 397 3HG1 VAL 52 3HG1 VAL 52 1.353 3.525 15.470 398 1HG2 VAL 52 1HG2 VAL 52 1.814 0.578 15.785 399 2HG2 VAL 52 2HG2 VAL 52 1.215 1.574 17.117 400 3HG2 VAL 52 3HG2 VAL 52 0.346 0.104 16.642 401 H ALA 53 H ALA 53 -2.998 1.995 14.125 402 HA ALA 53 HA ALA 53 -2.904 4.662 13.048 403 1HB ALA 53 1HB ALA 53 -4.705 3.920 11.634 404 2HB ALA 53 2HB ALA 53 -3.550 2.592 11.787 405 3HB ALA 53 3HB ALA 53 -5.067 2.554 12.720 406 H ALA 54 H ALA 54 -5.004 3.086 15.494 407 HA ALA 54 HA ALA 54 -6.870 5.236 15.721 408 1HB ALA 54 1HB ALA 54 -6.013 3.153 17.781 409 2HB ALA 54 2HB ALA 54 -7.461 4.175 17.867 410 3HB ALA 54 3HB ALA 54 -7.312 2.963 16.580 411 H GLU 55 H GLU 55 -3.645 4.664 17.232 412 HA GLU 55 HA GLU 55 -3.730 6.869 18.994 413 1HB GLU 55 1HB GLU 55 -2.026 4.979 18.844 414 2HB GLU 55 2HB GLU 55 -1.247 5.888 17.541 415 1HG GLU 55 1HG GLU 55 -0.847 7.778 19.053 416 2HG GLU 55 2HG GLU 55 -1.764 6.985 20.335 417 H HIS 56 H HIS 56 -3.612 6.837 15.521 418 HA HIS 56 HA HIS 56 -3.162 9.783 15.446 419 1HB HIS 56 1HB HIS 56 -2.762 7.686 13.283 420 2HB HIS 56 2HB HIS 56 -2.536 9.424 13.076 421 HD1 HIS 56 HD1 HIS 56 -0.486 10.499 14.762 422 HD2 HIS 56 HD2 HIS 56 -0.657 6.352 14.068 423 HE1 HIS 56 HE1 HIS 56 1.786 9.570 15.428 424 H GLN 57 H GLN 57 -5.631 7.902 15.926 425 HA GLN 57 HA GLN 57 -7.806 7.782 15.382 426 1HB GLN 57 1HB GLN 57 -7.429 10.771 14.926 427 2HB GLN 57 2HB GLN 57 -8.961 9.942 15.191 428 1HG GLN 57 1HG GLN 57 -8.448 10.849 17.276 429 2HG GLN 57 2HG GLN 57 -8.072 9.140 17.431 430 1HE2 GLN 57 2HE2 GLN 57 -6.010 8.623 18.201 431 2HE2 GLN 57 1HE2 GLN 57 -4.665 9.742 18.274 432 H LEU 58 H LEU 58 -6.485 6.687 13.338 433 HA LEU 58 HA LEU 58 -8.196 7.490 11.017 434 1HB LEU 58 1HB LEU 58 -5.831 8.049 10.630 435 2HB LEU 58 2HB LEU 58 -5.368 6.375 10.975 436 HG LEU 58 HG LEU 58 -6.531 5.579 9.003 437 1HD1 LEU 58 1HD1 LEU 58 -7.456 8.470 8.707 438 2HD1 LEU 58 2HD1 LEU 58 -7.458 7.329 7.355 439 3HD1 LEU 58 3HD1 LEU 58 -8.452 6.990 8.772 440 1HD2 LEU 58 1HD2 LEU 58 -4.214 6.372 8.809 441 2HD2 LEU 58 2HD2 LEU 58 -5.105 6.703 7.324 442 3HD2 LEU 58 3HD2 LEU 58 -4.780 8.019 8.458 443 H SER 59 H SER 59 -9.807 6.017 11.038 444 HA SER 59 HA SER 59 -9.499 3.484 12.305 445 1HB SER 59 1HB SER 59 -11.774 4.483 10.543 446 2HB SER 59 2HB SER 59 -11.844 3.210 11.779 447 HG SER 59 HG SER 59 -12.625 5.221 12.553 448 H LEU 60 H LEU 60 -8.306 1.858 11.337 449 HA LEU 60 HA LEU 60 -8.362 1.377 8.460 450 1HB LEU 60 1HB LEU 60 -7.450 -0.531 10.632 451 2HB LEU 60 2HB LEU 60 -7.042 -0.574 8.926 452 HG LEU 60 HG LEU 60 -6.076 1.377 11.022 453 1HD1 LEU 60 1HD1 LEU 60 -3.876 0.478 10.445 454 2HD1 LEU 60 2HD1 LEU 60 -4.975 -0.845 10.866 455 3HD1 LEU 60 3HD1 LEU 60 -4.582 -0.523 9.164 456 1HD2 LEU 60 1HD2 LEU 60 -6.427 2.765 9.066 457 2HD2 LEU 60 2HD2 LEU 60 -4.702 2.448 9.222 458 3HD2 LEU 60 3HD2 LEU 60 -5.654 1.555 8.012 459 H GLU 61 H GLU 61 -11.025 1.398 9.847 460 HA GLU 61 HA GLU 61 -11.840 -1.273 10.412 461 1HB GLU 61 1HB GLU 61 -14.091 -0.338 10.578 462 2HB GLU 61 2HB GLU 61 -12.911 0.647 11.439 463 1HG GLU 61 1HG GLU 61 -12.898 2.297 9.607 464 2HG GLU 61 2HG GLU 61 -14.011 1.301 8.668 465 H GLY 62 H GLY 62 -13.238 -2.689 9.292 466 1HA GLY 62 1HA GLY 62 -14.470 -3.558 7.593 467 2HA GLY 62 2HA GLY 62 -14.425 -1.983 6.784 468 H HIS 63 H HIS 63 -11.215 -2.726 7.201 469 HA HIS 63 HA HIS 63 -10.705 -3.533 4.500 470 1HB HIS 63 1HB HIS 63 -8.954 -2.447 5.746 471 2HB HIS 63 2HB HIS 63 -9.088 -3.616 7.065 472 HD1 HIS 63 HD1 HIS 63 -7.817 -3.531 3.367 473 HD2 HIS 63 HD2 HIS 63 -7.733 -5.891 6.864 474 HE1 HIS 63 HE1 HIS 63 -6.297 -5.465 2.897 475 H CYS 64 H CYS 64 -10.617 -5.526 3.616 476 HA CYS 64 HA CYS 64 -10.587 -7.933 5.360 477 1HB CYS 64 1HB CYS 64 -12.348 -7.460 2.915 478 2HB CYS 64 2HB CYS 64 -12.128 -9.021 3.729 479 HG CYS 64 HG CYS 64 -13.291 -6.178 4.983 480 H ALA 65 H ALA 65 -8.662 -8.854 4.898 481 HA ALA 65 HA ALA 65 -7.090 -8.141 2.624 482 1HB ALA 65 1HB ALA 65 -5.907 -8.774 4.537 483 2HB ALA 65 2HB ALA 65 -6.890 -10.224 4.813 484 3HB ALA 65 3HB ALA 65 -5.720 -10.182 3.476 485 H ARG 66 H ARG 66 -6.314 -9.526 0.926 486 HA ARG 66 HA ARG 66 -7.900 -11.790 0.018 487 1HB ARG 66 1HB ARG 66 -8.891 -10.599 -1.945 488 2HB ARG 66 2HB ARG 66 -9.588 -10.101 -0.406 489 1HG ARG 66 1HG ARG 66 -8.144 -8.056 -0.421 490 2HG ARG 66 2HG ARG 66 -7.504 -8.540 -2.004 491 1HD ARG 66 1HD ARG 66 -9.718 -8.370 -3.002 492 2HD ARG 66 2HD ARG 66 -10.443 -8.026 -1.412 493 HE ARG 66 HE ARG 66 -8.448 -6.126 -1.695 494 1HH1 ARG 66 2HH2 ARG 66 -11.433 -6.890 -3.512 495 2HH1 ARG 66 1HH2 ARG 66 -11.647 -5.253 -4.030 496 1HH2 ARG 66 1HH1 ARG 66 -8.750 -4.080 -2.363 497 2HH2 ARG 66 2HH1 ARG 66 -10.156 -3.584 -3.291 498 H GLN 67 H GLN 67 -6.923 -12.674 -1.939 499 HA GLN 67 HA GLN 67 -4.138 -11.794 -2.183 500 1HB GLN 67 1HB GLN 67 -4.880 -14.268 -1.945 501 2HB GLN 67 2HB GLN 67 -5.368 -14.142 -3.651 502 1HG GLN 67 1HG GLN 67 -3.023 -13.389 -4.202 503 2HG GLN 67 2HG GLN 67 -2.615 -13.501 -2.497 504 1HE2 GLN 67 2HE2 GLN 67 -0.877 -14.854 -3.253 505 2HE2 GLN 67 1HE2 GLN 67 -1.159 -16.561 -3.584 506 H ILE 68 H ILE 68 -3.226 -10.915 -3.882 507 HA ILE 68 HA ILE 68 -4.828 -9.618 -5.862 508 HB ILE 68 HB ILE 68 -2.480 -9.004 -4.998 509 1HG1 ILE 68 1HG1 ILE 68 -3.363 -8.880 -7.907 510 2HG1 ILE 68 2HG1 ILE 68 -3.601 -7.694 -6.626 511 1HG2 ILE 68 1HG2 ILE 68 -0.541 -9.854 -6.062 512 2HG2 ILE 68 2HG2 ILE 68 -1.457 -11.262 -5.513 513 3HG2 ILE 68 3HG2 ILE 68 -1.490 -10.794 -7.228 514 1HD1 ILE 68 1HD1 ILE 68 -1.060 -8.368 -8.128 515 2HD1 ILE 68 2HD1 ILE 68 -1.915 -6.817 -8.042 516 3HD1 ILE 68 3HD1 ILE 68 -1.045 -7.436 -6.621 517 H SER 69 H SER 69 -5.069 -10.162 -8.044 518 HA SER 69 HA SER 69 -4.091 -12.669 -9.148 519 1HB SER 69 1HB SER 69 -6.992 -12.237 -8.321 520 2HB SER 69 2HB SER 69 -6.592 -13.294 -9.705 521 HG SER 69 HG SER 69 -5.205 -13.551 -7.279 522 H ARG 70 H ARG 70 -4.731 -12.690 -11.585 523 HA ARG 70 HA ARG 70 -3.870 -10.195 -12.543 524 1HB ARG 70 1HB ARG 70 -3.495 -12.376 -13.649 525 2HB ARG 70 2HB ARG 70 -5.185 -12.404 -14.174 526 1HG ARG 70 1HG ARG 70 -4.839 -10.416 -15.556 527 2HG ARG 70 2HG ARG 70 -3.207 -10.183 -14.892 528 1HD ARG 70 1HD ARG 70 -2.454 -12.283 -15.892 529 2HD ARG 70 2HD ARG 70 -4.093 -12.624 -16.483 530 HE ARG 70 HE ARG 70 -3.421 -10.116 -17.537 531 1HH1 ARG 70 1HH2 ARG 70 -2.107 -13.417 -17.833 532 2HH1 ARG 70 2HH2 ARG 70 -1.604 -13.195 -19.466 533 1HH2 ARG 70 1HH1 ARG 70 -2.844 -9.847 -19.601 534 2HH2 ARG 70 2HH1 ARG 70 -2.018 -11.077 -20.536 535 H ARG 71 H ARG 71 -7.243 -11.417 -12.365 536 HA ARG 71 HA ARG 71 -8.465 -9.286 -13.762 537 1HB ARG 71 1HB ARG 71 -9.693 -11.268 -13.100 538 2HB ARG 71 2HB ARG 71 -9.411 -10.948 -11.387 539 1HG ARG 71 1HG ARG 71 -11.705 -10.416 -12.004 540 2HG ARG 71 2HG ARG 71 -10.851 -8.971 -11.478 541 1HD ARG 71 1HD ARG 71 -12.206 -8.422 -13.391 542 2HD ARG 71 2HD ARG 71 -10.501 -8.330 -13.862 543 HE ARG 71 HE ARG 71 -11.532 -10.935 -14.435 544 1HH1 ARG 71 1HH1 ARG 71 -11.870 -7.601 -15.613 545 2HH1 ARG 71 2HH1 ARG 71 -12.228 -8.059 -17.234 546 1HH2 ARG 71 1HH2 ARG 71 -12.018 -11.547 -16.599 547 2HH2 ARG 71 2HH2 ARG 71 -12.321 -10.355 -17.801 548 H LEU 72 H LEU 72 -7.483 -9.477 -10.291 549 HA LEU 72 HA LEU 72 -8.375 -6.822 -9.655 550 1HB LEU 72 1HB LEU 72 -6.504 -8.807 -8.350 551 2HB LEU 72 2HB LEU 72 -6.315 -7.104 -7.953 552 HG LEU 72 HG LEU 72 -8.722 -6.961 -7.406 553 1HD1 LEU 72 1HD1 LEU 72 -9.966 -9.062 -6.898 554 2HD1 LEU 72 2HD1 LEU 72 -9.628 -8.891 -8.621 555 3HD1 LEU 72 3HD1 LEU 72 -8.652 -10.005 -7.634 556 1HD2 LEU 72 1HD2 LEU 72 -6.982 -7.249 -5.660 557 2HD2 LEU 72 2HD2 LEU 72 -8.503 -8.020 -5.197 558 3HD2 LEU 72 3HD2 LEU 72 -7.155 -9.016 -5.782 559 H CYS 73 H CYS 73 -5.202 -8.116 -10.826 560 HA CYS 73 HA CYS 73 -3.842 -5.725 -10.601 561 1HB CYS 73 1HB CYS 73 -3.495 -7.762 -12.864 562 2HB CYS 73 2HB CYS 73 -2.306 -6.556 -12.370 563 HG CYS 73 HG CYS 73 -3.587 -8.992 -10.496 564 H ARG 74 H ARG 74 -5.987 -6.682 -13.351 565 HA ARG 74 HA ARG 74 -5.360 -4.151 -14.706 566 1HB ARG 74 1HB ARG 74 -6.736 -4.903 -16.491 567 2HB ARG 74 2HB ARG 74 -5.645 -6.198 -16.002 568 1HG ARG 74 1HG ARG 74 -7.467 -7.400 -14.904 569 2HG ARG 74 2HG ARG 74 -8.573 -6.041 -15.148 570 1HD ARG 74 1HD ARG 74 -9.071 -7.694 -16.810 571 2HD ARG 74 2HD ARG 74 -8.354 -6.303 -17.607 572 HE ARG 74 HE ARG 74 -6.263 -7.480 -17.858 573 1HH1 ARG 74 1HH1 ARG 74 -9.032 -9.569 -16.996 574 2HH1 ARG 74 2HH1 ARG 74 -8.299 -11.006 -17.606 575 1HH2 ARG 74 1HH2 ARG 74 -5.317 -9.353 -18.626 576 2HH2 ARG 74 2HH2 ARG 74 -6.158 -10.881 -18.609 577 H ASN 75 H ASN 75 -7.691 -5.116 -12.320 578 HA ASN 75 HA ASN 75 -9.865 -3.497 -13.169 579 1HB ASN 75 1HB ASN 75 -10.113 -5.352 -11.580 580 2HB ASN 75 2HB ASN 75 -9.129 -4.498 -10.392 581 1HD2 ASN 75 2HD2 ASN 75 -10.197 -3.058 -8.984 582 2HD2 ASN 75 1HD2 ASN 75 -11.877 -2.611 -9.167 583 H TYR 76 H TYR 76 -6.885 -2.615 -11.529 584 HA TYR 76 HA TYR 76 -8.013 0.085 -10.890 585 1HB TYR 76 1HB TYR 76 -5.724 -1.308 -9.482 586 2HB TYR 76 2HB TYR 76 -6.450 0.226 -9.053 587 HD1 TYR 76 HD1 TYR 76 -7.030 -3.421 -9.228 588 HD2 TYR 76 HD2 TYR 76 -8.248 0.267 -7.451 589 HE1 TYR 76 HE1 TYR 76 -8.519 -4.682 -7.716 590 HE2 TYR 76 HE2 TYR 76 -9.791 -0.938 -5.954 591 HH TYR 76 HH TYR 76 -10.569 -3.024 -5.252 592 H ASP 77 H ASP 77 -6.351 1.867 -11.078 593 HA ASP 77 HA ASP 77 -5.201 1.487 -13.752 594 1HB ASP 77 1HB ASP 77 -6.603 3.470 -13.098 595 2HB ASP 77 2HB ASP 77 -5.286 4.000 -12.046 596 H LEU 78 H LEU 78 -4.054 1.594 -10.465 597 HA LEU 78 HA LEU 78 -1.248 1.352 -11.339 598 1HB LEU 78 1HB LEU 78 -1.684 3.738 -11.061 599 2HB LEU 78 2HB LEU 78 -2.332 3.499 -9.459 600 HG LEU 78 HG LEU 78 -0.018 4.500 -9.689 601 1HD1 LEU 78 1HD1 LEU 78 -0.813 3.668 -7.545 602 2HD1 LEU 78 2HD1 LEU 78 -0.204 2.044 -7.926 603 3HD1 LEU 78 3HD1 LEU 78 0.922 3.393 -7.738 604 1HD2 LEU 78 1HD2 LEU 78 1.906 3.069 -10.007 605 2HD2 LEU 78 2HD2 LEU 78 0.888 1.649 -10.243 606 3HD2 LEU 78 3HD2 LEU 78 0.861 2.971 -11.433 607 H ILE 79 H ILE 79 -0.362 -0.282 -10.189 608 HA ILE 79 HA ILE 79 -1.658 -1.143 -7.642 609 HB ILE 79 HB ILE 79 -0.312 -2.664 -9.861 610 1HG1 ILE 79 1HG1 ILE 79 -1.951 -4.389 -9.257 611 2HG1 ILE 79 2HG1 ILE 79 -2.438 -3.476 -7.833 612 1HG2 ILE 79 1HG2 ILE 79 -0.109 -3.492 -6.939 613 2HG2 ILE 79 2HG2 ILE 79 0.190 -4.568 -8.325 614 3HG2 ILE 79 3HG2 ILE 79 1.230 -3.176 -8.048 615 1HD1 ILE 79 1HD1 ILE 79 -4.095 -3.336 -9.630 616 2HD1 ILE 79 2HD1 ILE 79 -3.436 -1.738 -9.262 617 3HD1 ILE 79 3HD1 ILE 79 -2.894 -2.614 -10.712 618 H LEU 80 H LEU 80 -0.420 -1.023 -5.827 619 HA LEU 80 HA LEU 80 2.197 0.405 -6.070 620 1HB LEU 80 1HB LEU 80 0.255 1.874 -5.679 621 2HB LEU 80 2HB LEU 80 -0.229 0.916 -4.292 622 HG LEU 80 HG LEU 80 1.636 1.669 -3.003 623 1HD1 LEU 80 1HD1 LEU 80 3.473 1.768 -4.567 624 2HD1 LEU 80 2HD1 LEU 80 2.646 2.987 -5.558 625 3HD1 LEU 80 3HD1 LEU 80 3.246 3.393 -3.935 626 1HD2 LEU 80 1HD2 LEU 80 1.176 4.116 -2.980 627 2HD2 LEU 80 2HD2 LEU 80 0.436 3.997 -4.583 628 3HD2 LEU 80 3HD2 LEU 80 -0.320 3.187 -3.196 629 H THR 81 H THR 81 3.805 -0.304 -4.588 630 HA THR 81 HA THR 81 2.986 -2.119 -2.398 631 HB THR 81 HB THR 81 3.288 -3.455 -4.460 632 HG1 THR 81 1HG THR 81 3.623 -4.408 -2.544 633 1HG2 THR 81 1HG2 THR 81 5.062 -2.177 -5.613 634 2HG2 THR 81 2HG2 THR 81 6.222 -2.623 -4.342 635 3HG2 THR 81 3HG2 THR 81 5.508 -3.869 -5.385 636 H MET 82 H MET 82 5.554 -2.907 -1.555 637 HA MET 82 HA MET 82 6.668 -0.265 -0.693 638 1HB MET 82 1HB MET 82 5.821 -2.746 0.841 639 2HB MET 82 2HB MET 82 7.006 -1.642 1.500 640 1HG MET 82 1HG MET 82 4.964 -0.952 2.416 641 2HG MET 82 2HG MET 82 5.360 0.245 1.189 642 1HE MET 82 1HE MET 82 1.502 0.309 1.036 643 2HE MET 82 2HE MET 82 2.404 -0.046 2.525 644 3HE MET 82 3HE MET 82 3.003 1.184 1.386 645 H GLU 83 H GLU 83 7.559 -3.303 -2.114 646 HA GLU 83 HA GLU 83 10.411 -2.686 -1.525 647 1HB GLU 83 1HB GLU 83 9.108 -5.427 -1.230 648 2HB GLU 83 2HB GLU 83 10.834 -5.094 -1.208 649 1HG GLU 83 1HG GLU 83 10.488 -3.619 0.806 650 2HG GLU 83 2HG GLU 83 8.794 -4.128 0.830 651 H LYS 84 H LYS 84 11.874 -3.417 -3.135 652 HA LYS 84 HA LYS 84 10.769 -3.327 -5.804 653 1HB LYS 84 1HB LYS 84 13.569 -4.021 -4.809 654 2HB LYS 84 2HB LYS 84 13.127 -3.732 -6.497 655 1HG LYS 84 1HG LYS 84 12.446 -1.419 -5.960 656 2HG LYS 84 2HG LYS 84 12.835 -1.681 -4.251 657 1HD LYS 84 1HD LYS 84 15.205 -2.140 -4.867 658 2HD LYS 84 2HD LYS 84 14.814 -1.786 -6.566 659 1HE LYS 84 1HE LYS 84 14.085 0.499 -5.919 660 2HE LYS 84 2HE LYS 84 14.430 0.140 -4.225 661 1HZ LYS 84 1HZ LYS 84 16.772 -0.133 -4.833 662 2HZ LYS 84 2HZ LYS 84 16.450 0.240 -6.392 663 3HZ LYS 84 3HZ LYS 84 16.239 1.356 -5.219 664 H ARG 85 H ARG 85 11.918 -6.002 -3.675 665 HA ARG 85 HA ARG 85 11.692 -8.061 -5.614 666 1HB ARG 85 1HB ARG 85 11.358 -9.605 -3.742 667 2HB ARG 85 2HB ARG 85 12.725 -8.524 -3.485 668 1HG ARG 85 1HG ARG 85 11.461 -7.193 -1.884 669 2HG ARG 85 2HG ARG 85 9.980 -8.109 -2.218 670 1HD ARG 85 1HD ARG 85 11.059 -10.163 -1.369 671 2HD ARG 85 2HD ARG 85 12.520 -9.236 -0.983 672 HE ARG 85 HE ARG 85 11.032 -7.803 0.486 673 1HH1 ARG 85 1HH2 ARG 85 10.532 -11.308 0.140 674 2HH1 ARG 85 2HH2 ARG 85 9.593 -11.445 1.578 675 1HH2 ARG 85 1HH1 ARG 85 9.632 -7.934 2.234 676 2HH2 ARG 85 2HH1 ARG 85 9.153 -9.484 2.867 677 H HIS 86 H HIS 86 9.100 -6.308 -3.863 678 HA HIS 86 HA HIS 86 7.085 -8.276 -4.633 679 1HB HIS 86 1HB HIS 86 6.728 -5.399 -3.721 680 2HB HIS 86 2HB HIS 86 5.466 -6.606 -3.887 681 HD1 HIS 86 HD1 HIS 86 7.430 -8.898 -2.274 682 HD2 HIS 86 HD2 HIS 86 6.023 -5.105 -1.130 683 HE1 HIS 86 HE1 HIS 86 7.470 -8.849 0.268 684 H ILE 87 H ILE 87 8.340 -5.131 -5.934 685 HA ILE 87 HA ILE 87 6.509 -4.895 -8.075 686 HB ILE 87 HB ILE 87 9.469 -4.170 -8.130 687 1HG1 ILE 87 1HG1 ILE 87 7.111 -2.454 -7.231 688 2HG1 ILE 87 2HG1 ILE 87 8.351 -3.121 -6.183 689 1HG2 ILE 87 1HG2 ILE 87 8.327 -4.178 -10.365 690 2HG2 ILE 87 2HG2 ILE 87 7.175 -2.982 -9.737 691 3HG2 ILE 87 3HG2 ILE 87 8.898 -2.593 -9.884 692 1HD1 ILE 87 1HD1 ILE 87 8.709 -0.965 -8.282 693 2HD1 ILE 87 2HD1 ILE 87 8.938 -0.868 -6.533 694 3HD1 ILE 87 3HD1 ILE 87 10.078 -1.808 -7.508 695 H GLU 88 H GLU 88 9.660 -6.689 -7.879 696 HA GLU 88 HA GLU 88 9.616 -7.634 -10.542 697 1HB GLU 88 1HB GLU 88 10.741 -8.960 -8.044 698 2HB GLU 88 2HB GLU 88 11.014 -9.494 -9.711 699 1HG GLU 88 1HG GLU 88 12.197 -7.439 -10.235 700 2HG GLU 88 2HG GLU 88 11.936 -6.843 -8.592 701 H ARG 89 H ARG 89 8.385 -9.278 -7.542 702 HA ARG 89 HA ARG 89 7.647 -11.639 -8.968 703 1HB ARG 89 1HB ARG 89 6.643 -10.633 -6.304 704 2HB ARG 89 2HB ARG 89 6.371 -12.254 -6.953 705 1HG ARG 89 1HG ARG 89 9.074 -11.052 -6.326 706 2HG ARG 89 2HG ARG 89 8.176 -12.130 -5.276 707 1HD ARG 89 1HD ARG 89 9.761 -13.523 -6.192 708 2HD ARG 89 2HD ARG 89 8.358 -13.849 -7.206 709 HE ARG 89 HE ARG 89 9.588 -13.193 -9.008 710 1HH1 ARG 89 1HH2 ARG 89 11.121 -11.531 -6.197 711 2HH1 ARG 89 2HH2 ARG 89 12.359 -10.836 -7.228 712 1HH2 ARG 89 1HH1 ARG 89 11.366 -12.321 -10.189 713 2HH2 ARG 89 2HH1 ARG 89 12.513 -11.290 -9.338 714 H LEU 90 H LEU 90 5.852 -8.629 -8.201 715 HA LEU 90 HA LEU 90 3.311 -9.664 -9.117 716 1HB LEU 90 1HB LEU 90 4.342 -6.830 -8.713 717 2HB LEU 90 2HB LEU 90 2.682 -7.212 -9.167 718 HG LEU 90 HG LEU 90 4.006 -8.214 -6.606 719 1HD1 LEU 90 1HD1 LEU 90 2.682 -6.531 -5.438 720 2HD1 LEU 90 2HD1 LEU 90 3.756 -5.758 -6.600 721 3HD1 LEU 90 3HD1 LEU 90 2.026 -5.930 -6.983 722 1HD2 LEU 90 1HD2 LEU 90 2.210 -9.702 -7.303 723 2HD2 LEU 90 2HD2 LEU 90 1.719 -8.765 -5.906 724 3HD2 LEU 90 3HD2 LEU 90 1.124 -8.315 -7.523 725 H CYS 91 H CYS 91 6.004 -7.906 -10.734 726 HA CYS 91 HA CYS 91 4.641 -7.601 -13.244 727 1HB CYS 91 1HB CYS 91 7.610 -7.911 -12.586 728 2HB CYS 91 2HB CYS 91 6.968 -7.515 -14.184 729 HG CYS 91 HG CYS 91 6.636 -5.885 -11.330 730 H GLU 92 H GLU 92 6.525 -10.323 -11.819 731 HA GLU 92 HA GLU 92 6.377 -11.972 -14.145 732 1HB GLU 92 1HB GLU 92 6.827 -12.548 -11.202 733 2HB GLU 92 2HB GLU 92 6.847 -13.819 -12.431 734 1HG GLU 92 1HG GLU 92 8.692 -12.818 -13.594 735 2HG GLU 92 2HG GLU 92 8.615 -11.351 -12.624 736 H MET 93 H MET 93 4.197 -11.655 -11.269 737 HA MET 93 HA MET 93 2.437 -13.783 -12.010 738 1HB MET 93 1HB MET 93 2.056 -11.268 -10.334 739 2HB MET 93 2HB MET 93 0.745 -12.402 -10.651 740 1HG MET 93 1HG MET 93 2.067 -14.245 -9.671 741 2HG MET 93 2HG MET 93 3.369 -13.115 -9.308 742 1HE MET 93 1HE MET 93 -0.314 -14.211 -8.580 743 2HE MET 93 2HE MET 93 -0.794 -13.173 -7.222 744 3HE MET 93 3HE MET 93 -0.642 -12.481 -8.846 745 H ALA 94 H ALA 94 2.489 -10.310 -12.899 746 HA ALA 94 HA ALA 94 0.343 -10.834 -14.911 747 1HB ALA 94 1HB ALA 94 0.453 -8.551 -12.904 748 2HB ALA 94 2HB ALA 94 -0.688 -8.689 -14.261 749 3HB ALA 94 3HB ALA 94 -0.728 -9.879 -12.944 750 HA PRO 95 HA PRO 95 4.023 -8.788 -16.791 751 1HB PRO 95 1HB PRO 95 3.718 -9.814 -19.341 752 2HB PRO 95 2HB PRO 95 4.602 -10.621 -18.010 753 1HG PRO 95 1HG PRO 95 1.748 -11.085 -18.904 754 2HG PRO 95 2HG PRO 95 3.002 -12.305 -18.516 755 1HD PRO 95 1HD PRO 95 1.091 -11.600 -16.726 756 2HD PRO 95 2HD PRO 95 2.763 -11.938 -16.188 757 H GLU 96 H GLU 96 0.605 -8.952 -17.788 758 HA GLU 96 HA GLU 96 0.373 -6.733 -19.442 759 1HB GLU 96 1HB GLU 96 -1.276 -8.444 -18.763 760 2HB GLU 96 2HB GLU 96 -1.405 -7.716 -17.163 761 1HG GLU 96 1HG GLU 96 -2.386 -5.692 -18.134 762 2HG GLU 96 2HG GLU 96 -2.163 -6.340 -19.770 763 H MET 97 H MET 97 1.064 -6.790 -15.947 764 HA MET 97 HA MET 97 0.776 -3.861 -15.762 765 1HB MET 97 1HB MET 97 -0.419 -5.670 -14.233 766 2HB MET 97 2HB MET 97 1.158 -5.772 -13.444 767 1HG MET 97 1HG MET 97 -0.256 -4.218 -12.266 768 2HG MET 97 2HG MET 97 1.050 -3.317 -13.037 769 1HE MET 97 1HE MET 97 -0.052 -0.974 -12.859 770 2HE MET 97 2HE MET 97 -1.727 -0.608 -13.323 771 3HE MET 97 3HE MET 97 -1.396 -1.666 -11.934 772 H ARG 98 H ARG 98 3.187 -5.860 -16.706 773 HA ARG 98 HA ARG 98 5.286 -5.448 -14.875 774 1HB ARG 98 1HB ARG 98 5.398 -7.105 -16.627 775 2HB ARG 98 2HB ARG 98 5.346 -5.861 -17.887 776 1HG ARG 98 1HG ARG 98 7.564 -5.103 -17.362 777 2HG ARG 98 2HG ARG 98 7.593 -6.002 -15.839 778 1HD ARG 98 1HD ARG 98 8.942 -7.130 -17.565 779 2HD ARG 98 2HD ARG 98 7.591 -8.126 -17.010 780 HE ARG 98 HE ARG 98 7.267 -6.486 -19.468 781 1HH1 ARG 98 1HH2 ARG 98 7.748 -9.737 -18.119 782 2HH1 ARG 98 2HH2 ARG 98 7.215 -10.556 -19.539 783 1HH2 ARG 98 1HH1 ARG 98 6.536 -7.578 -21.348 784 2HH2 ARG 98 2HH1 ARG 98 6.520 -9.297 -21.414 785 H GLY 99 H GLY 99 6.541 -3.741 -14.378 786 1HA GLY 99 1HA GLY 99 7.592 -1.710 -14.514 787 2HA GLY 99 2HA GLY 99 7.028 -1.526 -16.180 788 H LYS 100 H LYS 100 4.125 -2.072 -14.891 789 HA LYS 100 HA LYS 100 3.565 0.784 -14.371 790 1HB LYS 100 1HB LYS 100 1.662 -1.586 -14.447 791 2HB LYS 100 2HB LYS 100 1.238 0.127 -14.434 792 1HG LYS 100 1HG LYS 100 2.328 0.389 -16.673 793 2HG LYS 100 2HG LYS 100 2.645 -1.361 -16.692 794 1HD LYS 100 1HD LYS 100 0.175 -1.780 -16.465 795 2HD LYS 100 2HD LYS 100 -0.096 -0.039 -16.491 796 1HE LYS 100 1HE LYS 100 -0.580 -0.863 -18.663 797 2HE LYS 100 2HE LYS 100 0.918 0.065 -18.774 798 1HZ LYS 100 1HZ LYS 100 1.029 -2.026 -19.995 799 2HZ LYS 100 2HZ LYS 100 2.133 -2.042 -18.798 800 3HZ LYS 100 3HZ LYS 100 0.738 -2.906 -18.650 801 H VAL 101 H VAL 101 4.261 -2.091 -12.545 802 HA VAL 101 HA VAL 101 2.866 -1.230 -10.120 803 HB VAL 101 HB VAL 101 5.054 -3.310 -10.601 804 1HG1 VAL 101 1HG1 VAL 101 3.367 -2.725 -8.126 805 2HG1 VAL 101 2HG1 VAL 101 4.321 -4.206 -8.362 806 3HG1 VAL 101 3HG1 VAL 101 5.123 -2.636 -8.271 807 1HG2 VAL 101 1HG2 VAL 101 2.037 -3.625 -10.307 808 2HG2 VAL 101 2HG2 VAL 101 3.012 -3.973 -11.748 809 3HG2 VAL 101 3HG2 VAL 101 3.207 -4.962 -10.308 810 H MET 102 H MET 102 3.848 -0.052 -8.421 811 HA MET 102 HA MET 102 6.676 0.757 -8.643 812 1HB MET 102 1HB MET 102 4.378 2.775 -8.754 813 2HB MET 102 2HB MET 102 6.039 3.195 -8.311 814 1HG MET 102 1HG MET 102 6.810 2.202 -10.485 815 2HG MET 102 2HG MET 102 5.121 2.073 -10.974 816 1HE MET 102 1HE MET 102 3.655 4.653 -10.178 817 2HE MET 102 2HE MET 102 4.006 5.724 -11.548 818 3HE MET 102 3HE MET 102 3.660 4.003 -11.833 819 H LEU 103 H LEU 103 7.199 2.153 -6.575 820 HA LEU 103 HA LEU 103 5.723 0.880 -4.359 821 1HB LEU 103 1HB LEU 103 7.663 0.655 -3.106 822 2HB LEU 103 2HB LEU 103 7.930 -0.075 -4.678 823 HG LEU 103 HG LEU 103 9.084 2.515 -3.564 824 1HD1 LEU 103 1HD1 LEU 103 10.038 0.420 -2.673 825 2HD1 LEU 103 2HD1 LEU 103 10.378 -0.143 -4.324 826 3HD1 LEU 103 3HD1 LEU 103 11.214 1.281 -3.666 827 1HD2 LEU 103 1HD2 LEU 103 9.619 1.308 -6.314 828 2HD2 LEU 103 2HD2 LEU 103 8.816 2.858 -5.982 829 3HD2 LEU 103 3HD2 LEU 103 10.507 2.648 -5.571 830 H PHE 104 H PHE 104 5.655 1.809 -2.297 831 HA PHE 104 HA PHE 104 4.787 4.425 -2.084 832 1HB PHE 104 1HB PHE 104 5.586 2.262 -0.265 833 2HB PHE 104 2HB PHE 104 6.027 3.834 0.373 834 HD1 PHE 104 HD1 PHE 104 4.504 4.582 1.957 835 HD2 PHE 104 HD2 PHE 104 3.061 2.491 -1.514 836 HE1 PHE 104 HE1 PHE 104 2.181 5.071 2.634 837 HE2 PHE 104 HE2 PHE 104 0.721 2.976 -0.823 838 HZ PHE 104 HZ PHE 104 0.288 4.362 1.202 839 H GLY 105 H GLY 105 8.145 3.244 -1.566 840 1HA GLY 105 1HA GLY 105 9.061 5.904 -0.817 841 2HA GLY 105 2HA GLY 105 10.014 4.428 -0.927 842 H HIS 106 H HIS 106 8.295 4.856 -3.865 843 HA HIS 106 HA HIS 106 10.350 5.286 -5.598 844 1HB HIS 106 1HB HIS 106 8.034 4.904 -6.294 845 2HB HIS 106 2HB HIS 106 7.575 6.509 -5.744 846 HD1 HIS 106 HD1 HIS 106 10.133 5.055 -8.378 847 HD2 HIS 106 HD2 HIS 106 7.503 8.281 -7.620 848 HE1 HIS 106 HE1 HIS 106 10.180 6.530 -10.435 849 H TRP 107 H TRP 107 8.585 7.935 -3.935 850 HA TRP 107 HA TRP 107 10.042 10.017 -5.239 851 1HB TRP 107 1HB TRP 107 8.442 10.247 -2.687 852 2HB TRP 107 2HB TRP 107 8.660 11.469 -3.939 853 HD1 TRP 107 HD1 TRP 107 6.480 8.636 -2.845 854 HE1 TRP 107 HE1 TRP 107 4.593 8.195 -4.473 855 HE3 TRP 107 HE3 TRP 107 7.996 11.669 -6.707 856 HZ2 TRP 107 HZ2 TRP 107 3.769 9.057 -7.106 857 HZ3 TRP 107 HZ3 TRP 107 6.614 11.837 -8.762 858 HH2 TRP 107 HH2 TRP 107 4.482 10.557 -8.955 859 H ASP 108 H ASP 108 11.298 7.976 -3.000 860 HA ASP 108 HA ASP 108 13.292 9.986 -2.116 861 1HB ASP 108 1HB ASP 108 11.816 9.848 -0.190 862 2HB ASP 108 2HB ASP 108 11.866 8.086 -0.232 863 H ASN 109 H ASN 109 14.005 9.016 -4.098 864 HA ASN 109 HA ASN 109 15.446 7.662 -5.214 865 1HB ASN 109 1HB ASN 109 16.849 8.725 -3.471 866 2HB ASN 109 2HB ASN 109 16.588 7.325 -2.428 867 1HD2 ASN 109 2HD2 ASN 109 18.728 6.724 -2.302 868 2HD2 ASN 109 1HD2 ASN 109 19.658 6.118 -3.656 869 H GLU 110 H GLU 110 13.047 6.384 -4.661 870 HA GLU 110 HA GLU 110 12.000 4.395 -4.453 871 1HB GLU 110 1HB GLU 110 14.416 3.331 -5.955 872 2HB GLU 110 2HB GLU 110 12.768 2.688 -5.952 873 1HG GLU 110 1HG GLU 110 12.167 5.173 -6.726 874 2HG GLU 110 2HG GLU 110 13.847 5.197 -7.234 875 H CYS 111 H CYS 111 13.166 5.023 -2.084 876 HA CYS 111 HA CYS 111 14.587 2.837 -0.958 877 1HB CYS 111 1HB CYS 111 13.943 3.818 1.200 878 2HB CYS 111 2HB CYS 111 14.570 5.022 0.051 879 HG CYS 111 HG CYS 111 12.441 6.092 -0.625 880 H GLU 112 H GLU 112 13.929 1.113 0.269 881 HA GLU 112 HA GLU 112 11.188 0.098 -0.215 882 1HB GLU 112 1HB GLU 112 13.672 -1.240 0.943 883 2HB GLU 112 2HB GLU 112 12.127 -2.031 0.604 884 1HG GLU 112 1HG GLU 112 12.367 -1.400 -1.812 885 2HG GLU 112 2HG GLU 112 13.971 -0.750 -1.468 886 H ILE 113 H ILE 113 10.121 -1.029 1.693 887 HA ILE 113 HA ILE 113 10.531 0.570 4.190 888 HB ILE 113 HB ILE 113 7.962 -0.196 2.782 889 1HG1 ILE 113 1HG1 ILE 113 9.419 2.433 3.213 890 2HG1 ILE 113 2HG1 ILE 113 9.018 1.657 1.689 891 1HG2 ILE 113 1HG2 ILE 113 7.667 -0.375 5.248 892 2HG2 ILE 113 2HG2 ILE 113 8.188 1.318 5.407 893 3HG2 ILE 113 3HG2 ILE 113 6.705 0.897 4.532 894 1HD1 ILE 113 1HD1 ILE 113 6.608 2.083 2.106 895 2HD1 ILE 113 2HD1 ILE 113 7.050 2.986 3.578 896 3HD1 ILE 113 3HD1 ILE 113 7.602 3.558 2.004 897 HA PRO 114 HA PRO 114 10.914 -3.427 6.155 898 1HB PRO 114 1HB PRO 114 9.582 -2.154 8.529 899 2HB PRO 114 2HB PRO 114 11.107 -3.081 8.452 900 1HG PRO 114 1HG PRO 114 11.131 -0.368 8.657 901 2HG PRO 114 2HG PRO 114 12.298 -1.220 7.594 902 1HD PRO 114 1HD PRO 114 9.731 0.176 6.826 903 2HD PRO 114 2HD PRO 114 11.339 0.229 6.041 904 H ASP 115 H ASP 115 9.552 -5.013 7.525 905 HA ASP 115 HA ASP 115 6.713 -5.039 6.580 906 1HB ASP 115 1HB ASP 115 7.745 -6.764 5.403 907 2HB ASP 115 2HB ASP 115 8.797 -7.199 6.758 908 HA PRO 116 HA PRO 116 6.610 -4.900 11.111 909 1HB PRO 116 1HB PRO 116 4.112 -3.940 11.513 910 2HB PRO 116 2HB PRO 116 5.405 -2.921 10.816 911 1HG PRO 116 1HG PRO 116 3.256 -4.478 9.339 912 2HG PRO 116 2HG PRO 116 3.691 -2.753 9.131 913 1HD PRO 116 1HD PRO 116 4.681 -4.762 7.532 914 2HD PRO 116 2HD PRO 116 5.662 -3.324 7.938 915 H TYR 117 H TYR 117 4.851 -7.101 9.036 916 HA TYR 117 HA TYR 117 2.913 -8.144 10.729 917 1HB TYR 117 1HB TYR 117 3.224 -8.610 8.317 918 2HB TYR 117 2HB TYR 117 4.664 -9.555 8.683 919 HD1 TYR 117 HD1 TYR 117 4.510 -11.801 9.553 920 HD2 TYR 117 HD2 TYR 117 0.985 -9.417 8.921 921 HE1 TYR 117 HE1 TYR 117 3.113 -13.844 9.773 922 HE2 TYR 117 HE2 TYR 117 -0.440 -11.459 9.128 923 HH TYR 117 HH TYR 117 0.949 -14.714 9.759 924 H ARG 118 H ARG 118 3.021 -9.148 12.655 925 HA ARG 118 HA ARG 118 3.752 -10.239 14.478 926 1HB ARG 118 1HB ARG 118 4.998 -11.845 12.267 927 2HB ARG 118 2HB ARG 118 5.565 -12.161 13.883 928 1HG ARG 118 1HG ARG 118 3.785 -13.672 13.152 929 2HG ARG 118 2HG ARG 118 3.428 -12.852 14.663 930 1HD ARG 118 1HD ARG 118 2.364 -11.777 12.040 931 2HD ARG 118 2HD ARG 118 1.571 -13.143 12.835 932 HE ARG 118 HE ARG 118 1.614 -11.514 14.898 933 1HH1 ARG 118 1HH2 ARG 118 0.653 -10.759 11.525 934 2HH1 ARG 118 2HH2 ARG 118 -0.441 -9.491 12.071 935 1HH2 ARG 118 1HH1 ARG 118 0.192 -9.727 15.448 936 2HH2 ARG 118 2HH1 ARG 118 -0.670 -8.938 14.138 937 H LYS 119 H LYS 119 5.454 -7.836 13.361 938 HA LYS 119 HA LYS 119 7.824 -8.282 15.114 939 1HB LYS 119 1HB LYS 119 7.145 -5.777 13.554 940 2HB LYS 119 2HB LYS 119 8.692 -6.239 14.260 941 1HG LYS 119 1HG LYS 119 7.346 -7.341 11.799 942 2HG LYS 119 2HG LYS 119 8.865 -6.463 11.896 943 1HD LYS 119 1HD LYS 119 9.892 -8.423 13.067 944 2HD LYS 119 2HD LYS 119 8.373 -9.307 12.893 945 1HE LYS 119 1HE LYS 119 10.212 -8.351 10.666 946 2HE LYS 119 2HE LYS 119 9.863 -10.017 11.141 947 1HZ LYS 119 1HZ LYS 119 8.041 -8.106 9.826 948 2HZ LYS 119 2HZ LYS 119 8.557 -9.520 9.216 949 3HZ LYS 119 3HZ LYS 119 7.493 -9.511 10.473 950 H SER 120 H SER 120 8.296 -6.410 16.661 951 HA SER 120 HA SER 120 6.219 -6.092 18.527 952 1HB SER 120 1HB SER 120 8.652 -4.296 18.157 953 2HB SER 120 2HB SER 120 7.781 -4.629 19.666 954 HG SER 120 HG SER 120 9.699 -5.874 19.474 955 H ARG 121 H ARG 121 5.124 -4.107 19.284 956 HA ARG 121 HA ARG 121 3.827 -2.674 17.223 957 1HB ARG 121 1HB ARG 121 2.945 -3.063 19.512 958 2HB ARG 121 2HB ARG 121 4.108 -1.896 20.159 959 1HG ARG 121 1HG ARG 121 3.084 -0.088 18.852 960 2HG ARG 121 2HG ARG 121 2.000 -1.226 18.048 961 1HD ARG 121 1HD ARG 121 2.016 -0.646 21.042 962 2HD ARG 121 2HD ARG 121 0.943 0.117 19.857 963 HE ARG 121 HE ARG 121 0.860 -2.802 19.844 964 1HH1 ARG 121 1HH2 ARG 121 -0.495 0.082 21.401 965 2HH1 ARG 121 2HH2 ARG 121 -1.974 -0.679 21.853 966 1HH2 ARG 121 1HH1 ARG 121 -1.130 -3.820 20.432 967 2HH2 ARG 121 2HH1 ARG 121 -2.365 -2.920 21.219 968 H GLU 122 H GLU 122 6.847 -1.885 18.958 969 HA GLU 122 HA GLU 122 7.056 0.814 18.117 970 1HB GLU 122 1HB GLU 122 8.475 -0.300 19.824 971 2HB GLU 122 2HB GLU 122 9.263 -1.247 18.553 972 1HG GLU 122 1HG GLU 122 10.137 0.823 17.528 973 2HG GLU 122 2HG GLU 122 9.252 1.802 18.701 974 H THR 123 H THR 123 7.704 -2.259 16.377 975 HA THR 123 HA THR 123 8.953 -0.937 14.112 976 HB THR 123 HB THR 123 7.689 -3.696 14.228 977 HG1 THR 123 1HG THR 123 9.753 -4.386 14.913 978 1HG2 THR 123 1HG2 THR 123 9.472 -4.224 12.553 979 2HG2 THR 123 2HG2 THR 123 8.354 -2.982 11.970 980 3HG2 THR 123 3HG2 THR 123 9.964 -2.517 12.564 981 H PHE 124 H PHE 124 5.583 -1.971 14.998 982 HA PHE 124 HA PHE 124 4.426 -1.257 12.463 983 1HB PHE 124 1HB PHE 124 3.296 -1.426 15.274 984 2HB PHE 124 2HB PHE 124 2.369 -0.753 13.954 985 HD1 PHE 124 HD1 PHE 124 1.308 -2.079 12.295 986 HD2 PHE 124 HD2 PHE 124 3.997 -3.902 15.137 987 HE1 PHE 124 HE1 PHE 124 0.502 -4.330 11.636 988 HE2 PHE 124 HE2 PHE 124 3.176 -6.137 14.472 989 HZ PHE 124 HZ PHE 124 1.426 -6.361 12.722 990 H ALA 125 H ALA 125 5.193 0.716 15.406 991 HA ALA 125 HA ALA 125 4.061 3.122 14.357 992 1HB ALA 125 1HB ALA 125 4.568 2.774 16.751 993 2HB ALA 125 2HB ALA 125 6.310 2.782 16.388 994 3HB ALA 125 3HB ALA 125 5.340 4.242 16.118 995 H ALA 126 H ALA 126 7.415 1.806 14.166 996 HA ALA 126 HA ALA 126 8.561 3.991 12.749 997 1HB ALA 126 1HB ALA 126 9.881 2.166 13.780 998 2HB ALA 126 2HB ALA 126 9.243 1.018 12.579 999 3HB ALA 126 3HB ALA 126 10.273 2.366 12.061 1000 H VAL 127 H VAL 127 6.997 0.976 11.493 1001 HA VAL 127 HA VAL 127 7.194 1.767 8.764 1002 HB VAL 127 HB VAL 127 5.376 -0.212 10.190 1003 1HG1 VAL 127 1HG1 VAL 127 4.219 0.421 8.133 1004 2HG1 VAL 127 2HG1 VAL 127 5.722 0.267 7.192 1005 3HG1 VAL 127 3HG1 VAL 127 4.951 -1.163 7.900 1006 1HG2 VAL 127 1HG2 VAL 127 7.847 -0.718 10.134 1007 2HG2 VAL 127 2HG2 VAL 127 6.911 -1.865 9.180 1008 3HG2 VAL 127 3HG2 VAL 127 7.806 -0.570 8.368 1009 H TYR 128 H TYR 128 4.559 2.387 11.220 1010 HA TYR 128 HA TYR 128 2.799 3.595 9.384 1011 1HB TYR 128 1HB TYR 128 2.321 2.973 11.778 1012 2HB TYR 128 2HB TYR 128 3.182 4.420 12.289 1013 HD1 TYR 128 HD1 TYR 128 0.046 3.044 11.139 1014 HD2 TYR 128 HD2 TYR 128 2.286 6.723 11.439 1015 HE1 TYR 128 HE1 TYR 128 -2.030 4.343 10.768 1016 HE2 TYR 128 HE2 TYR 128 0.233 8.019 11.041 1017 HH TYR 128 HH TYR 128 -2.085 7.923 10.690 1018 H THR 129 H THR 129 5.538 5.068 11.225 1019 HA THR 129 HA THR 129 5.248 7.770 10.198 1020 HB THR 129 HB THR 129 7.789 6.285 10.991 1021 HG1 THR 129 1HG THR 129 6.335 6.030 12.668 1022 1HG2 THR 129 1HG2 THR 129 8.160 8.517 10.010 1023 2HG2 THR 129 2HG2 THR 129 6.999 9.228 11.150 1024 3HG2 THR 129 3HG2 THR 129 8.523 8.524 11.741 1025 H LEU 130 H LEU 130 7.243 5.004 8.947 1026 HA LEU 130 HA LEU 130 8.169 6.590 6.780 1027 1HB LEU 130 1HB LEU 130 9.282 4.617 7.743 1028 2HB LEU 130 2HB LEU 130 8.019 3.566 7.101 1029 HG LEU 130 HG LEU 130 8.711 3.951 4.846 1030 1HD1 LEU 130 1HD1 LEU 130 10.670 6.041 5.920 1031 2HD1 LEU 130 2HD1 LEU 130 10.677 5.397 4.261 1032 3HD1 LEU 130 3HD1 LEU 130 9.300 6.337 4.825 1033 1HD2 LEU 130 1HD2 LEU 130 11.200 3.653 6.593 1034 2HD2 LEU 130 2HD2 LEU 130 10.038 2.367 6.259 1035 3HD2 LEU 130 3HD2 LEU 130 10.999 3.051 4.934 1036 H LEU 131 H LEU 131 5.305 4.503 7.070 1037 HA LEU 131 HA LEU 131 4.550 4.674 4.283 1038 1HB LEU 131 1HB LEU 131 2.959 4.029 6.805 1039 2HB LEU 131 2HB LEU 131 2.259 4.039 5.193 1040 HG LEU 131 HG LEU 131 4.476 2.169 6.119 1041 1HD1 LEU 131 1HD1 LEU 131 2.246 1.685 7.085 1042 2HD1 LEU 131 2HD1 LEU 131 1.542 1.655 5.451 1043 3HD1 LEU 131 3HD1 LEU 131 2.743 0.436 5.934 1044 1HD2 LEU 131 1HD2 LEU 131 4.770 2.597 3.752 1045 2HD2 LEU 131 2HD2 LEU 131 4.093 0.990 3.982 1046 3HD2 LEU 131 3HD2 LEU 131 3.037 2.325 3.453 1047 H GLU 132 H GLU 132 3.542 6.526 7.254 1048 HA GLU 132 HA GLU 132 1.675 8.182 5.892 1049 1HB GLU 132 1HB GLU 132 1.737 7.978 8.316 1050 2HB GLU 132 2HB GLU 132 3.378 8.636 8.384 1051 1HG GLU 132 1HG GLU 132 2.610 10.825 7.671 1052 2HG GLU 132 2HG GLU 132 1.000 10.197 7.322 1053 H ARG 133 H ARG 133 5.146 8.558 6.541 1054 HA ARG 133 HA ARG 133 5.562 11.096 5.411 1055 1HB ARG 133 1HB ARG 133 7.089 9.592 6.801 1056 2HB ARG 133 2HB ARG 133 7.405 8.649 5.354 1057 1HG ARG 133 1HG ARG 133 7.949 11.317 4.610 1058 2HG ARG 133 2HG ARG 133 8.387 11.216 6.329 1059 1HD ARG 133 1HD ARG 133 10.322 10.775 4.862 1060 2HD ARG 133 2HD ARG 133 9.934 9.374 5.873 1061 HE ARG 133 HE ARG 133 8.583 8.863 3.514 1062 1HH1 ARG 133 1HH2 ARG 133 11.984 9.650 4.193 1063 2HH1 ARG 133 2HH2 ARG 133 12.587 8.694 2.867 1064 1HH2 ARG 133 1HH1 ARG 133 9.407 7.423 1.974 1065 2HH2 ARG 133 2HH1 ARG 133 11.122 7.345 1.664 1066 H SER 134 H SER 134 5.839 7.855 3.799 1067 HA SER 134 HA SER 134 6.469 9.127 1.275 1068 1HB SER 134 1HB SER 134 5.780 6.223 1.740 1069 2HB SER 134 2HB SER 134 6.762 6.937 0.450 1070 HG SER 134 HG SER 134 7.365 6.472 3.159 1071 H ALA 135 H ALA 135 3.475 7.834 2.750 1072 HA ALA 135 HA ALA 135 1.816 8.000 0.450 1073 1HB ALA 135 1HB ALA 135 0.996 6.931 2.485 1074 2HB ALA 135 2HB ALA 135 1.166 8.445 3.397 1075 3HB ALA 135 3HB ALA 135 -0.037 8.310 2.099 1076 H ARG 136 H ARG 136 2.989 10.508 2.780 1077 HA ARG 136 HA ARG 136 1.346 12.612 1.762 1078 1HB ARG 136 1HB ARG 136 2.868 12.447 3.900 1079 2HB ARG 136 2HB ARG 136 4.156 13.032 2.848 1080 1HG ARG 136 1HG ARG 136 2.830 15.072 2.360 1081 2HG ARG 136 2HG ARG 136 1.496 14.439 3.351 1082 1HD ARG 136 1HD ARG 136 3.174 14.274 5.287 1083 2HD ARG 136 2HD ARG 136 4.304 15.170 4.278 1084 HE ARG 136 HE ARG 136 2.973 17.101 4.420 1085 1HH1 ARG 136 1HH2 ARG 136 1.461 14.451 6.273 1086 2HH1 ARG 136 2HH2 ARG 136 0.675 15.514 7.386 1087 1HH2 ARG 136 1HH1 ARG 136 1.792 18.488 5.809 1088 2HH2 ARG 136 2HH1 ARG 136 0.782 17.848 7.047 1089 H GLN 137 H GLN 137 4.635 11.451 0.836 1090 HA GLN 137 HA GLN 137 5.016 13.378 -1.222 1091 1HB GLN 137 1HB GLN 137 6.169 10.564 -1.013 1092 2HB GLN 137 2HB GLN 137 6.710 11.846 -2.101 1093 1HG GLN 137 1HG GLN 137 7.251 13.274 -0.106 1094 2HG GLN 137 2HG GLN 137 6.847 11.913 0.944 1095 1HE2 GLN 137 2HE2 GLN 137 9.180 13.177 -1.393 1096 2HE2 GLN 137 1HE2 GLN 137 10.349 11.887 -1.258 1097 H TRP 138 H TRP 138 3.609 10.033 -1.374 1098 HA TRP 138 HA TRP 138 2.975 10.091 -4.125 1099 1HB TRP 138 1HB TRP 138 2.009 8.563 -1.737 1100 2HB TRP 138 2HB TRP 138 0.912 8.645 -3.103 1101 HD1 TRP 138 HD1 TRP 138 4.192 7.047 -2.067 1102 HE1 TRP 138 HE1 TRP 138 5.048 5.493 -3.927 1103 HE3 TRP 138 HE3 TRP 138 0.741 8.143 -5.688 1104 HZ2 TRP 138 HZ2 TRP 138 4.298 4.781 -6.625 1105 HZ3 TRP 138 HZ3 TRP 138 0.821 6.993 -7.883 1106 HH2 TRP 138 HH2 TRP 138 2.588 5.324 -8.365 1107 H ALA 139 H ALA 139 1.006 11.265 -1.320 1108 HA ALA 139 HA ALA 139 -1.183 12.100 -2.881 1109 1HB ALA 139 1HB ALA 139 -0.162 13.253 -0.253 1110 2HB ALA 139 2HB ALA 139 -1.773 13.491 -0.957 1111 3HB ALA 139 3HB ALA 139 -1.263 11.866 -0.440 1112 H GLN 140 H GLN 140 1.833 13.887 -2.028 1113 HA GLN 140 HA GLN 140 1.077 16.376 -3.123 1114 1HB GLN 140 1HB GLN 140 3.029 16.105 -1.708 1115 2HB GLN 140 2HB GLN 140 3.784 15.011 -2.859 1116 1HG GLN 140 1HG GLN 140 4.872 17.141 -2.959 1117 2HG GLN 140 2HG GLN 140 4.060 16.840 -4.484 1118 1HE2 GLN 140 2HE2 GLN 140 2.026 18.060 -4.944 1119 2HE2 GLN 140 1HE2 GLN 140 1.783 19.608 -4.150 1120 H ALA 141 H ALA 141 2.408 13.443 -4.744 1121 HA ALA 141 HA ALA 141 2.627 14.764 -7.321 1122 1HB ALA 141 1HB ALA 141 4.020 12.828 -6.643 1123 2HB ALA 141 2HB ALA 141 2.566 11.803 -6.591 1124 3HB ALA 141 3HB ALA 141 3.102 12.510 -8.125 1125 H LEU 142 H LEU 142 0.277 12.479 -5.842 1126 HA LEU 142 HA LEU 142 -1.521 12.293 -8.017 1127 1HB LEU 142 1HB LEU 142 -2.037 12.222 -5.020 1128 2HB LEU 142 2HB LEU 142 -3.263 11.828 -6.212 1129 HG LEU 142 HG LEU 142 -0.627 10.315 -5.984 1130 1HD1 LEU 142 1HD1 LEU 142 -3.363 9.603 -4.845 1131 2HD1 LEU 142 2HD1 LEU 142 -1.926 8.557 -4.840 1132 3HD1 LEU 142 3HD1 LEU 142 -1.923 10.057 -3.907 1133 1HD2 LEU 142 1HD2 LEU 142 -1.710 10.101 -8.193 1134 2HD2 LEU 142 2HD2 LEU 142 -1.737 8.588 -7.286 1135 3HD2 LEU 142 3HD2 LEU 142 -3.212 9.566 -7.399 1136 H ASN 143 H ASN 143 -1.370 14.755 -5.407 1137 HA ASN 143 HA ASN 143 -3.633 16.248 -6.140 1138 1HB ASN 143 1HB ASN 143 -2.368 16.566 -4.036 1139 2HB ASN 143 2HB ASN 143 -1.001 17.211 -4.945 1140 1HD2 ASN 143 2HD2 ASN 143 -0.939 19.458 -5.018 1141 2HD2 ASN 143 1HD2 ASN 143 -2.334 20.492 -4.888 1142 H ALA 144 H ALA 144 -0.497 16.054 -7.706 1143 HA ALA 144 HA ALA 144 -1.228 18.274 -9.523 1144 1HB ALA 144 1HB ALA 144 1.508 17.032 -8.954 1145 2HB ALA 144 2HB ALA 144 1.194 18.406 -10.037 1146 3HB ALA 144 3HB ALA 144 0.929 18.578 -8.293 1147 H GLU 145 H GLU 145 -2.189 15.534 -9.466 1148 HA GLU 145 HA GLU 145 -2.551 13.711 -10.774 1149 1HB GLU 145 1HB GLU 145 -3.650 14.311 -12.879 1150 2HB GLU 145 2HB GLU 145 -4.146 15.328 -11.534 1151 1HG GLU 145 1HG GLU 145 -2.763 17.181 -12.353 1152 2HG GLU 145 2HG GLU 145 -2.115 16.173 -13.648 1153 H GLN 146 H GLN 146 0.136 13.837 -10.441 1154 HA GLN 146 HA GLN 146 1.517 13.489 -12.924 1155 1HB GLN 146 1HB GLN 146 2.148 12.423 -10.141 1156 2HB GLN 146 2HB GLN 146 3.266 12.408 -11.505 1157 1HG GLN 146 1HG GLN 146 2.155 14.906 -10.147 1158 2HG GLN 146 2HG GLN 146 3.785 14.267 -10.000 1159 1HE2 GLN 146 2HE2 GLN 146 1.510 16.002 -12.101 1160 2HE2 GLN 146 1HE2 GLN 146 2.697 16.494 -13.292 1161 H VAL 147 H VAL 147 2.391 11.631 -13.747 1162 HA VAL 147 HA VAL 147 0.984 9.077 -13.560 1163 HB VAL 147 HB VAL 147 0.683 9.230 -16.107 1164 1HG1 VAL 147 1HG1 VAL 147 -1.189 9.260 -14.485 1165 2HG1 VAL 147 2HG1 VAL 147 -1.104 11.040 -14.436 1166 3HG1 VAL 147 3HG1 VAL 147 -1.524 10.210 -15.948 1167 1HG2 VAL 147 1HG2 VAL 147 1.982 11.327 -16.512 1168 2HG2 VAL 147 2HG2 VAL 147 0.323 11.432 -17.111 1169 3HG2 VAL 147 3HG2 VAL 147 0.766 12.252 -15.602 Start of MODEL 3 1 H MET 1 H MET 1 -6.931 10.377 -15.042 2 HA MET 1 HA MET 1 -4.159 10.197 -14.107 3 1HB MET 1 1HB MET 1 -5.398 12.212 -13.283 4 2HB MET 1 2HB MET 1 -6.600 11.163 -12.535 5 1HG MET 1 1HG MET 1 -3.636 10.932 -11.901 6 2HG MET 1 2HG MET 1 -4.631 12.155 -11.136 7 1HE MET 1 1HE MET 1 -6.015 11.874 -9.074 8 2HE MET 1 2HE MET 1 -7.251 11.145 -10.127 9 3HE MET 1 3HE MET 1 -6.806 10.363 -8.591 10 H PHE 2 H PHE 2 -3.696 8.401 -12.775 11 HA PHE 2 HA PHE 2 -5.360 6.059 -13.151 12 1HB PHE 2 1HB PHE 2 -3.473 5.000 -11.802 13 2HB PHE 2 2HB PHE 2 -3.116 5.627 -13.388 14 HD1 PHE 2 HD1 PHE 2 -2.548 6.227 -9.753 15 HD2 PHE 2 HD2 PHE 2 -1.602 7.459 -13.779 16 HE1 PHE 2 HE1 PHE 2 -0.694 7.616 -8.892 17 HE2 PHE 2 HE2 PHE 2 0.253 8.853 -12.908 18 HZ PHE 2 HZ PHE 2 0.707 8.946 -10.467 19 H ASN 3 H ASN 3 -7.189 7.311 -12.002 20 HA ASN 3 HA ASN 3 -7.129 7.840 -9.253 21 1HB ASN 3 1HB ASN 3 -8.874 8.669 -10.789 22 2HB ASN 3 2HB ASN 3 -9.498 7.030 -10.987 23 1HD2 ASN 3 2HD2 ASN 3 -9.154 9.731 -8.632 24 2HD2 ASN 3 1HD2 ASN 3 -10.402 9.154 -7.551 25 H ASN 4 H ASN 4 -7.355 4.684 -10.785 26 HA ASN 4 HA ASN 4 -8.404 3.427 -8.282 27 1HB ASN 4 1HB ASN 4 -8.136 2.431 -11.161 28 2HB ASN 4 2HB ASN 4 -8.256 1.349 -9.784 29 1HD2 ASN 4 2HD2 ASN 4 -10.166 0.446 -10.846 30 2HD2 ASN 4 1HD2 ASN 4 -11.688 1.269 -10.599 31 H ILE 5 H ILE 5 -6.811 2.615 -6.954 32 HA ILE 5 HA ILE 5 -4.145 1.929 -8.130 33 HB ILE 5 HB ILE 5 -4.737 3.611 -5.676 34 1HG1 ILE 5 1HG1 ILE 5 -3.570 4.349 -8.383 35 2HG1 ILE 5 2HG1 ILE 5 -5.063 4.928 -7.649 36 1HG2 ILE 5 1HG2 ILE 5 -2.334 3.873 -5.312 37 2HG2 ILE 5 2HG2 ILE 5 -2.755 2.185 -5.250 38 3HG2 ILE 5 3HG2 ILE 5 -1.984 2.830 -6.714 39 1HD1 ILE 5 1HD1 ILE 5 -2.257 5.655 -6.799 40 2HD1 ILE 5 2HD1 ILE 5 -3.515 6.688 -7.497 41 3HD1 ILE 5 3HD1 ILE 5 -3.733 6.023 -5.863 42 H LEU 6 H LEU 6 -3.126 0.174 -7.060 43 HA LEU 6 HA LEU 6 -4.749 -1.152 -4.909 44 1HB LEU 6 1HB LEU 6 -4.525 -2.105 -7.455 45 2HB LEU 6 2HB LEU 6 -3.072 -2.793 -6.756 46 HG LEU 6 HG LEU 6 -5.961 -3.245 -5.946 47 1HD1 LEU 6 1HD1 LEU 6 -3.719 -5.108 -6.840 48 2HD1 LEU 6 2HD1 LEU 6 -5.399 -5.587 -6.497 49 3HD1 LEU 6 3HD1 LEU 6 -5.035 -4.536 -7.874 50 1HD2 LEU 6 1HD2 LEU 6 -3.509 -4.166 -4.428 51 2HD2 LEU 6 2HD2 LEU 6 -4.849 -3.176 -3.832 52 3HD2 LEU 6 3HD2 LEU 6 -5.134 -4.860 -4.243 53 H VAL 7 H VAL 7 -3.539 -1.538 -3.055 54 HA VAL 7 HA VAL 7 -0.565 -1.402 -3.291 55 HB VAL 7 HB VAL 7 -2.207 -1.368 -0.734 56 1HG1 VAL 7 1HG1 VAL 7 0.196 -2.000 -0.579 57 2HG1 VAL 7 2HG1 VAL 7 0.649 -0.498 -1.407 58 3HG1 VAL 7 3HG1 VAL 7 -0.108 -0.451 0.196 59 1HG2 VAL 7 1HG2 VAL 7 -1.832 1.086 -0.659 60 2HG2 VAL 7 2HG2 VAL 7 -1.191 1.037 -2.315 61 3HG2 VAL 7 3HG2 VAL 7 -2.888 0.626 -1.990 62 H VAL 8 H VAL 8 0.582 -3.294 -3.093 63 HA VAL 8 HA VAL 8 -0.910 -5.733 -2.226 64 HB VAL 8 HB VAL 8 0.981 -5.480 -4.604 65 1HG1 VAL 8 1HG1 VAL 8 1.050 -7.711 -3.526 66 2HG1 VAL 8 2HG1 VAL 8 -0.725 -7.817 -3.620 67 3HG1 VAL 8 3HG1 VAL 8 0.255 -7.799 -5.098 68 1HG2 VAL 8 1HG2 VAL 8 -1.017 -5.948 -5.998 69 2HG2 VAL 8 2HG2 VAL 8 -2.039 -5.859 -4.551 70 3HG2 VAL 8 3HG2 VAL 8 -1.179 -4.416 -5.140 71 H CYS 9 H CYS 9 0.097 -6.621 -0.475 72 HA CYS 9 HA CYS 9 3.077 -6.406 -0.310 73 1HB CYS 9 1HB CYS 9 1.290 -6.037 2.107 74 2HB CYS 9 2HB CYS 9 3.002 -5.637 1.920 75 HG CYS 9 HG CYS 9 0.258 -4.192 0.897 76 H VAL 10 H VAL 10 4.134 -8.066 0.804 77 HA VAL 10 HA VAL 10 2.485 -10.482 1.355 78 HB VAL 10 HB VAL 10 4.936 -10.483 0.506 79 1HG1 VAL 10 1HG1 VAL 10 6.684 -10.694 2.188 80 2HG1 VAL 10 2HG1 VAL 10 5.968 -9.085 2.287 81 3HG1 VAL 10 3HG1 VAL 10 5.544 -10.315 3.491 82 1HG2 VAL 10 1HG2 VAL 10 3.657 -12.487 1.067 83 2HG2 VAL 10 2HG2 VAL 10 5.338 -12.649 1.584 84 3HG2 VAL 10 3HG2 VAL 10 4.079 -12.303 2.786 85 H GLY 11 H GLY 11 1.761 -11.028 3.519 86 1HA GLY 11 1HA GLY 11 0.997 -10.488 5.614 87 2HA GLY 11 2HA GLY 11 2.375 -9.376 5.824 88 H ASN 12 H ASN 12 -0.026 -9.295 3.214 89 HA ASN 12 HA ASN 12 -0.813 -6.770 3.111 90 1HB ASN 12 1HB ASN 12 -1.756 -8.143 1.568 91 2HB ASN 12 2HB ASN 12 -2.296 -9.338 2.743 92 1HD2 ASN 12 2HD2 ASN 12 -3.328 -5.969 3.258 93 2HD2 ASN 12 1HD2 ASN 12 -4.994 -6.357 2.968 94 H ILE 13 H ILE 13 -2.013 -8.930 5.685 95 HA ILE 13 HA ILE 13 -4.195 -7.554 6.566 96 HB ILE 13 HB ILE 13 -3.941 -8.751 8.667 97 1HG1 ILE 13 1HG1 ILE 13 -1.107 -9.468 7.769 98 2HG1 ILE 13 2HG1 ILE 13 -1.511 -8.323 9.047 99 1HG2 ILE 13 1HG2 ILE 13 -4.675 -9.945 6.609 100 2HG2 ILE 13 2HG2 ILE 13 -3.005 -10.504 6.339 101 3HG2 ILE 13 3HG2 ILE 13 -3.907 -11.012 7.767 102 1HD1 ILE 13 1HD1 ILE 13 -0.912 -10.398 10.073 103 2HD1 ILE 13 2HD1 ILE 13 -2.655 -10.163 10.305 104 3HD1 ILE 13 3HD1 ILE 13 -2.052 -11.312 9.081 105 H CYS 14 H CYS 14 -1.109 -6.144 6.780 106 HA CYS 14 HA CYS 14 -2.219 -4.072 8.594 107 1HB CYS 14 1HB CYS 14 0.072 -3.889 9.664 108 2HB CYS 14 2HB CYS 14 -0.915 -5.291 10.119 109 HG CYS 14 HG CYS 14 1.574 -6.027 10.029 110 H ARG 15 H ARG 15 0.311 -4.928 6.141 111 HA ARG 15 HA ARG 15 1.274 -2.214 6.016 112 1HB ARG 15 1HB ARG 15 1.560 -4.539 4.069 113 2HB ARG 15 2HB ARG 15 2.512 -3.052 4.002 114 1HG ARG 15 1HG ARG 15 3.646 -3.571 6.079 115 2HG ARG 15 2HG ARG 15 2.499 -4.855 6.455 116 1HD ARG 15 1HD ARG 15 4.127 -6.188 5.702 117 2HD ARG 15 2HD ARG 15 3.314 -5.902 4.177 118 HE ARG 15 HE ARG 15 5.584 -4.119 4.927 119 1HH1 ARG 15 1HH1 ARG 15 4.631 -7.086 3.182 120 2HH1 ARG 15 2HH1 ARG 15 6.003 -6.997 2.096 121 1HH2 ARG 15 1HH2 ARG 15 7.551 -4.284 3.680 122 2HH2 ARG 15 2HH2 ARG 15 7.776 -5.703 2.696 123 H SER 16 H SER 16 -0.705 -4.136 3.666 124 HA SER 16 HA SER 16 -1.049 -2.049 1.872 125 1HB SER 16 1HB SER 16 -3.162 -4.149 2.229 126 2HB SER 16 2HB SER 16 -2.541 -3.418 0.742 127 HG SER 16 HG SER 16 -1.710 -5.468 0.894 128 HA PRO 17 HA PRO 17 -5.269 -0.856 3.673 129 1HB PRO 17 1HB PRO 17 -5.983 -1.333 6.272 130 2HB PRO 17 2HB PRO 17 -6.280 -2.456 4.918 131 1HG PRO 17 1HG PRO 17 -3.974 -2.510 6.891 132 2HG PRO 17 2HG PRO 17 -5.042 -3.867 6.417 133 1HD PRO 17 1HD PRO 17 -2.639 -3.512 5.264 134 2HD PRO 17 2HD PRO 17 -4.042 -4.033 4.284 135 H THR 18 H THR 18 -2.413 -0.708 5.826 136 HA THR 18 HA THR 18 -3.170 1.837 6.986 137 HB THR 18 HB THR 18 -0.434 0.517 6.768 138 HG1 THR 18 1HG THR 18 -1.505 -0.849 7.952 139 1HG2 THR 18 1HG2 THR 18 -0.252 2.894 7.401 140 2HG2 THR 18 2HG2 THR 18 -1.513 2.685 8.632 141 3HG2 THR 18 3HG2 THR 18 0.060 1.869 8.808 142 H ALA 19 H ALA 19 -1.096 0.825 4.185 143 HA ALA 19 HA ALA 19 -0.473 3.459 3.298 144 1HB ALA 19 1HB ALA 19 0.603 1.437 2.375 145 2HB ALA 19 2HB ALA 19 -0.949 0.910 1.701 146 3HB ALA 19 3HB ALA 19 -0.179 2.379 1.077 147 H GLU 20 H GLU 20 -3.243 1.283 2.489 148 HA GLU 20 HA GLU 20 -4.516 2.954 0.646 149 1HB GLU 20 1HB GLU 20 -5.099 0.588 1.109 150 2HB GLU 20 2HB GLU 20 -5.778 1.062 2.673 151 1HG GLU 20 1HG GLU 20 -7.427 2.527 1.467 152 2HG GLU 20 2HG GLU 20 -6.792 1.902 -0.058 153 H ARG 21 H ARG 21 -5.211 2.760 4.221 154 HA ARG 21 HA ARG 21 -7.088 4.914 4.080 155 1HB ARG 21 1HB ARG 21 -5.511 3.704 6.390 156 2HB ARG 21 2HB ARG 21 -6.706 4.977 6.626 157 1HG ARG 21 1HG ARG 21 -7.368 2.341 5.274 158 2HG ARG 21 2HG ARG 21 -7.540 2.630 6.999 159 1HD ARG 21 1HD ARG 21 -9.148 4.428 6.629 160 2HD ARG 21 2HD ARG 21 -9.000 4.285 4.876 161 HE ARG 21 HE ARG 21 -10.423 2.479 6.708 162 1HH1 ARG 21 1HH2 ARG 21 -9.173 2.952 3.447 163 2HH1 ARG 21 2HH2 ARG 21 -9.755 1.461 2.801 164 1HH2 ARG 21 1HH1 ARG 21 -11.353 0.537 5.883 165 2HH2 ARG 21 2HH1 ARG 21 -11.220 0.160 4.191 166 H LEU 22 H LEU 22 -3.550 4.962 4.614 167 HA LEU 22 HA LEU 22 -3.453 7.739 5.328 168 1HB LEU 22 1HB LEU 22 -1.483 5.772 4.115 169 2HB LEU 22 2HB LEU 22 -1.064 7.468 4.296 170 HG LEU 22 HG LEU 22 -2.047 5.863 6.684 171 1HD1 LEU 22 1HD1 LEU 22 -0.122 4.666 5.831 172 2HD1 LEU 22 2HD1 LEU 22 0.775 6.165 5.613 173 3HD1 LEU 22 3HD1 LEU 22 0.387 5.592 7.254 174 1HD2 LEU 22 1HD2 LEU 22 -0.700 7.635 7.873 175 2HD2 LEU 22 2HD2 LEU 22 -0.446 8.442 6.319 176 3HD2 LEU 22 3HD2 LEU 22 -2.084 8.278 6.981 177 H LEU 23 H LEU 23 -3.288 6.073 2.128 178 HA LEU 23 HA LEU 23 -2.947 8.515 0.637 179 1HB LEU 23 1HB LEU 23 -3.967 5.742 -0.072 180 2HB LEU 23 2HB LEU 23 -3.891 7.055 -1.248 181 HG LEU 23 HG LEU 23 -1.411 6.295 0.312 182 1HD1 LEU 23 1HD1 LEU 23 -0.773 4.777 -1.540 183 2HD1 LEU 23 2HD1 LEU 23 -2.170 4.197 -0.658 184 3HD1 LEU 23 3HD1 LEU 23 -2.371 4.969 -2.259 185 1HD2 LEU 23 1HD2 LEU 23 -1.365 8.403 -0.987 186 2HD2 LEU 23 2HD2 LEU 23 -0.290 7.200 -1.706 187 3HD2 LEU 23 3HD2 LEU 23 -1.864 7.526 -2.448 188 H GLN 24 H GLN 24 -5.873 6.627 1.604 189 HA GLN 24 HA GLN 24 -7.737 8.295 0.231 190 1HB GLN 24 1HB GLN 24 -8.040 6.569 2.727 191 2HB GLN 24 2HB GLN 24 -9.380 7.339 1.895 192 1HG GLN 24 1HG GLN 24 -7.550 5.219 0.672 193 2HG GLN 24 2HG GLN 24 -9.170 4.956 1.299 194 1HE2 GLN 24 2HE2 GLN 24 -10.877 6.546 0.238 195 2HE2 GLN 24 1HE2 GLN 24 -10.695 6.762 -1.510 196 H ARG 25 H ARG 25 -6.319 8.531 3.544 197 HA ARG 25 HA ARG 25 -7.815 10.738 4.459 198 1HB ARG 25 1HB ARG 25 -6.481 9.527 5.996 199 2HB ARG 25 2HB ARG 25 -5.039 9.673 5.009 200 1HG ARG 25 1HG ARG 25 -4.900 12.098 5.525 201 2HG ARG 25 2HG ARG 25 -6.307 11.930 6.602 202 1HD ARG 25 1HD ARG 25 -5.085 10.417 8.050 203 2HD ARG 25 2HD ARG 25 -3.798 10.231 6.843 204 HE ARG 25 HE ARG 25 -4.237 12.947 7.886 205 1HH1 ARG 25 1HH2 ARG 25 -2.319 9.965 8.191 206 2HH1 ARG 25 2HH2 ARG 25 -0.904 10.776 8.797 207 1HH2 ARG 25 1HH1 ARG 25 -2.370 13.987 8.791 208 2HH2 ARG 25 2HH1 ARG 25 -0.982 13.050 9.213 209 H TYR 26 H TYR 26 -4.632 10.746 2.704 210 HA TYR 26 HA TYR 26 -4.625 13.588 2.517 211 1HB TYR 26 1HB TYR 26 -3.075 11.466 0.996 212 2HB TYR 26 2HB TYR 26 -2.824 13.196 0.784 213 HD1 TYR 26 HD1 TYR 26 -1.521 10.440 2.490 214 HD2 TYR 26 HD2 TYR 26 -2.608 14.567 3.123 215 HE1 TYR 26 HE1 TYR 26 -0.018 10.535 4.463 216 HE2 TYR 26 HE2 TYR 26 -1.126 14.667 5.093 217 HH TYR 26 HH TYR 26 0.334 13.502 6.468 218 H HIS 27 H HIS 27 -5.939 11.133 0.272 219 HA HIS 27 HA HIS 27 -7.153 13.319 -1.351 220 1HB HIS 27 1HB HIS 27 -5.495 10.971 -2.327 221 2HB HIS 27 2HB HIS 27 -6.666 11.812 -3.339 222 HD1 HIS 27 HD1 HIS 27 -5.230 14.597 -1.560 223 HD2 HIS 27 HD2 HIS 27 -3.960 11.959 -4.582 224 HE1 HIS 27 HE1 HIS 27 -3.501 15.860 -2.948 225 HA PRO 28 HA PRO 28 -10.200 10.162 0.011 226 1HB PRO 28 1HB PRO 28 -12.389 11.794 0.346 227 2HB PRO 28 2HB PRO 28 -11.084 11.608 1.557 228 1HG PRO 28 1HG PRO 28 -11.391 13.786 -0.531 229 2HG PRO 28 2HG PRO 28 -11.038 13.970 1.218 230 1HD PRO 28 1HD PRO 28 -9.069 14.025 -0.652 231 2HD PRO 28 2HD PRO 28 -8.804 13.240 0.935 232 H GLU 29 H GLU 29 -10.216 12.318 -2.747 233 HA GLU 29 HA GLU 29 -12.522 11.092 -4.053 234 1HB GLU 29 1HB GLU 29 -11.726 13.458 -4.359 235 2HB GLU 29 2HB GLU 29 -10.295 12.840 -5.190 236 1HG GLU 29 1HG GLU 29 -11.687 11.935 -6.990 237 2HG GLU 29 2HG GLU 29 -13.161 12.294 -6.085 238 H LEU 30 H LEU 30 -9.335 10.058 -3.418 239 HA LEU 30 HA LEU 30 -8.802 8.713 -5.936 240 1HB LEU 30 1HB LEU 30 -7.177 9.754 -4.223 241 2HB LEU 30 2HB LEU 30 -7.455 8.309 -3.248 242 HG LEU 30 HG LEU 30 -6.445 6.932 -5.049 243 1HD1 LEU 30 1HD1 LEU 30 -5.282 8.085 -6.942 244 2HD1 LEU 30 2HD1 LEU 30 -7.029 8.249 -7.043 245 3HD1 LEU 30 3HD1 LEU 30 -6.044 9.613 -6.464 246 1HD2 LEU 30 1HD2 LEU 30 -4.132 7.852 -4.755 247 2HD2 LEU 30 2HD2 LEU 30 -4.808 9.402 -4.251 248 3HD2 LEU 30 3HD2 LEU 30 -5.048 7.965 -3.246 249 H LYS 31 H LYS 31 -8.673 6.379 -6.161 250 HA LYS 31 HA LYS 31 -10.433 4.855 -4.270 251 1HB LYS 31 1HB LYS 31 -11.501 5.325 -6.411 252 2HB LYS 31 2HB LYS 31 -10.112 4.703 -7.289 253 1HG LYS 31 1HG LYS 31 -12.094 3.218 -7.267 254 2HG LYS 31 2HG LYS 31 -10.616 2.442 -6.728 255 1HD LYS 31 1HD LYS 31 -11.327 2.446 -4.427 256 2HD LYS 31 2HD LYS 31 -12.691 3.537 -4.786 257 1HE LYS 31 1HE LYS 31 -13.752 1.855 -6.187 258 2HE LYS 31 2HE LYS 31 -12.367 0.767 -6.031 259 1HZ LYS 31 1HZ LYS 31 -14.328 0.281 -4.586 260 2HZ LYS 31 2HZ LYS 31 -12.905 0.319 -3.811 261 3HZ LYS 31 3HZ LYS 31 -13.965 1.591 -3.685 262 H VAL 32 H VAL 32 -8.322 4.683 -3.119 263 HA VAL 32 HA VAL 32 -6.460 2.742 -4.322 264 HB VAL 32 HB VAL 32 -6.422 3.875 -1.499 265 1HG1 VAL 32 1HG1 VAL 32 -5.076 1.822 -1.848 266 2HG1 VAL 32 2HG1 VAL 32 -4.274 2.574 -3.243 267 3HG1 VAL 32 3HG1 VAL 32 -4.037 3.222 -1.609 268 1HG2 VAL 32 1HG2 VAL 32 -4.598 5.373 -2.429 269 2HG2 VAL 32 2HG2 VAL 32 -5.154 4.971 -4.048 270 3HG2 VAL 32 3HG2 VAL 32 -6.228 5.807 -2.913 271 H GLU 33 H GLU 33 -6.532 0.573 -3.809 272 HA GLU 33 HA GLU 33 -8.042 -0.225 -1.406 273 1HB GLU 33 1HB GLU 33 -9.253 -0.489 -3.848 274 2HB GLU 33 2HB GLU 33 -8.462 -2.065 -3.686 275 1HG GLU 33 1HG GLU 33 -9.587 -2.441 -1.547 276 2HG GLU 33 2HG GLU 33 -10.166 -0.778 -1.498 277 H SER 34 H SER 34 -7.530 -2.825 -1.161 278 HA SER 34 HA SER 34 -4.568 -3.035 -1.471 279 1HB SER 34 1HB SER 34 -4.828 -3.998 0.930 280 2HB SER 34 2HB SER 34 -4.828 -2.240 0.678 281 HG SER 34 HG SER 34 -6.949 -2.137 1.011 282 H ALA 35 H ALA 35 -3.610 -5.112 -1.253 283 HA ALA 35 HA ALA 35 -5.166 -7.507 -0.794 284 1HB ALA 35 1HB ALA 35 -3.902 -7.088 -3.556 285 2HB ALA 35 2HB ALA 35 -4.673 -8.580 -2.972 286 3HB ALA 35 3HB ALA 35 -5.649 -7.140 -3.240 287 H GLY 36 H GLY 36 -3.312 -9.420 -1.510 288 1HA GLY 36 1HA GLY 36 -0.582 -8.371 -1.199 289 2HA GLY 36 2HA GLY 36 -1.141 -9.471 0.058 290 H LEU 37 H LEU 37 1.095 -9.845 -1.640 291 HA LEU 37 HA LEU 37 0.519 -11.876 -3.632 292 1HB LEU 37 1HB LEU 37 2.988 -10.999 -2.090 293 2HB LEU 37 2HB LEU 37 3.033 -12.398 -3.150 294 HG LEU 37 HG LEU 37 2.046 -9.732 -4.203 295 1HD1 LEU 37 1HD1 LEU 37 4.251 -9.292 -3.231 296 2HD1 LEU 37 2HD1 LEU 37 4.932 -10.685 -4.093 297 3HD1 LEU 37 3HD1 LEU 37 4.336 -9.272 -5.000 298 1HD2 LEU 37 1HD2 LEU 37 3.385 -12.116 -5.559 299 2HD2 LEU 37 2HD2 LEU 37 1.653 -11.762 -5.598 300 3HD2 LEU 37 3HD2 LEU 37 2.791 -10.646 -6.363 301 H GLY 38 H GLY 38 1.012 -11.868 -0.133 302 1HA GLY 38 1HA GLY 38 0.320 -14.763 -0.012 303 2HA GLY 38 2HA GLY 38 1.757 -14.155 0.839 304 H ALA 39 H ALA 39 -1.588 -12.992 0.258 305 HA ALA 39 HA ALA 39 -1.804 -11.817 2.933 306 1HB ALA 39 1HB ALA 39 -2.824 -10.792 0.884 307 2HB ALA 39 2HB ALA 39 -3.870 -12.222 0.729 308 3HB ALA 39 3HB ALA 39 -4.026 -11.142 2.130 309 H LEU 40 H LEU 40 -4.082 -12.289 3.987 310 HA LEU 40 HA LEU 40 -4.615 -15.231 4.107 311 1HB LEU 40 1HB LEU 40 -4.524 -13.215 6.387 312 2HB LEU 40 2HB LEU 40 -5.132 -14.867 6.519 313 HG LEU 40 HG LEU 40 -2.256 -14.116 5.839 314 1HD1 LEU 40 1HD1 LEU 40 -3.468 -15.167 8.432 315 2HD1 LEU 40 2HD1 LEU 40 -1.742 -14.869 8.123 316 3HD1 LEU 40 3HD1 LEU 40 -2.879 -13.514 8.148 317 1HD2 LEU 40 1HD2 LEU 40 -2.824 -16.315 4.898 318 2HD2 LEU 40 2HD2 LEU 40 -1.778 -16.517 6.303 319 3HD2 LEU 40 3HD2 LEU 40 -3.522 -16.829 6.451 320 H VAL 41 H VAL 41 -6.353 -15.153 2.755 321 HA VAL 41 HA VAL 41 -8.093 -13.047 2.362 322 HB VAL 41 HB VAL 41 -8.877 -15.978 2.151 323 1HG1 VAL 41 1HG1 VAL 41 -9.723 -13.510 0.556 324 2HG1 VAL 41 2HG1 VAL 41 -10.251 -15.179 0.253 325 3HG1 VAL 41 3HG1 VAL 41 -10.717 -14.370 1.750 326 1HG2 VAL 41 1HG2 VAL 41 -8.005 -15.860 -0.194 327 2HG2 VAL 41 2HG2 VAL 41 -7.241 -14.307 0.194 328 3HG2 VAL 41 3HG2 VAL 41 -6.731 -15.798 1.014 329 H GLY 42 H GLY 42 -9.542 -12.028 3.582 330 1HA GLY 42 1HA GLY 42 -11.373 -11.721 4.911 331 2HA GLY 42 2HA GLY 42 -11.517 -13.471 5.118 332 H LYS 43 H LYS 43 -8.343 -12.493 6.070 333 HA LYS 43 HA LYS 43 -8.958 -13.229 8.750 334 1HB LYS 43 1HB LYS 43 -6.845 -13.643 7.519 335 2HB LYS 43 2HB LYS 43 -6.391 -11.949 7.713 336 1HG LYS 43 1HG LYS 43 -7.153 -13.489 10.193 337 2HG LYS 43 2HG LYS 43 -5.674 -13.991 9.384 338 1HD LYS 43 1HD LYS 43 -4.590 -11.920 9.729 339 2HD LYS 43 2HD LYS 43 -6.091 -11.070 10.072 340 1HE LYS 43 1HE LYS 43 -4.889 -11.353 12.134 341 2HE LYS 43 2HE LYS 43 -6.360 -12.324 12.181 342 1HZ LYS 43 1HZ LYS 43 -4.446 -13.525 13.041 343 2HZ LYS 43 2HZ LYS 43 -5.007 -14.286 11.719 344 3HZ LYS 43 3HZ LYS 43 -3.640 -13.383 11.636 345 H GLY 44 H GLY 44 -9.220 -10.059 7.306 346 1HA GLY 44 1HA GLY 44 -9.948 -8.122 8.318 347 2HA GLY 44 2HA GLY 44 -9.742 -8.850 9.912 348 H ALA 45 H ALA 45 -8.922 -6.257 9.505 349 HA ALA 45 HA ALA 45 -6.096 -6.045 8.919 350 1HB ALA 45 1HB ALA 45 -6.325 -3.833 10.047 351 2HB ALA 45 2HB ALA 45 -7.545 -4.074 8.784 352 3HB ALA 45 3HB ALA 45 -7.995 -4.242 10.492 353 H ASP 46 H ASP 46 -4.359 -6.006 10.391 354 HA ASP 46 HA ASP 46 -4.637 -7.650 12.754 355 1HB ASP 46 1HB ASP 46 -2.602 -7.626 11.355 356 2HB ASP 46 2HB ASP 46 -2.286 -5.957 11.849 357 HA PRO 47 HA PRO 47 -6.013 -4.295 15.419 358 1HB PRO 47 1HB PRO 47 -4.689 -5.969 17.557 359 2HB PRO 47 2HB PRO 47 -6.282 -5.147 17.596 360 1HG PRO 47 1HG PRO 47 -6.139 -7.804 17.093 361 2HG PRO 47 2HG PRO 47 -7.235 -6.769 16.120 362 1HD PRO 47 1HD PRO 47 -4.500 -7.826 15.382 363 2HD PRO 47 2HD PRO 47 -5.988 -7.708 14.391 364 H THR 48 H THR 48 -2.599 -5.259 15.307 365 HA THR 48 HA THR 48 -1.706 -3.140 17.098 366 HB THR 48 HB THR 48 0.067 -4.477 15.075 367 HG1 THR 48 1HG THR 48 -1.025 -6.170 15.713 368 1HG2 THR 48 1HG2 THR 48 1.074 -2.888 16.606 369 2HG2 THR 48 2HG2 THR 48 0.379 -3.723 18.017 370 3HG2 THR 48 3HG2 THR 48 1.630 -4.516 17.032 371 H ALA 49 H ALA 49 -2.183 -3.628 13.588 372 HA ALA 49 HA ALA 49 -1.056 -1.089 12.771 373 1HB ALA 49 1HB ALA 49 -1.405 -3.030 11.253 374 2HB ALA 49 2HB ALA 49 -3.158 -2.868 11.445 375 3HB ALA 49 3HB ALA 49 -2.231 -1.566 10.666 376 H ILE 50 H ILE 50 -4.354 -2.273 13.626 377 HA ILE 50 HA ILE 50 -5.700 0.159 13.096 378 HB ILE 50 HB ILE 50 -6.415 -1.882 15.223 379 1HG1 ILE 50 1HG1 ILE 50 -7.260 -1.843 12.283 380 2HG1 ILE 50 2HG1 ILE 50 -6.146 -2.984 13.008 381 1HG2 ILE 50 1HG2 ILE 50 -7.675 0.274 15.390 382 2HG2 ILE 50 2HG2 ILE 50 -8.218 0.070 13.713 383 3HG2 ILE 50 3HG2 ILE 50 -8.724 -1.068 14.981 384 1HD1 ILE 50 1HD1 ILE 50 -8.206 -4.123 12.835 385 2HD1 ILE 50 2HD1 ILE 50 -8.032 -3.726 14.553 386 3HD1 ILE 50 3HD1 ILE 50 -9.121 -2.773 13.516 387 H SER 51 H SER 51 -4.279 -1.014 16.230 388 HA SER 51 HA SER 51 -5.109 1.311 17.632 389 1HB SER 51 1HB SER 51 -3.543 0.568 19.394 390 2HB SER 51 2HB SER 51 -4.599 -0.727 18.818 391 HG SER 51 HG SER 51 -2.970 -1.680 17.830 392 H VAL 52 H VAL 52 -1.972 0.601 15.954 393 HA VAL 52 HA VAL 52 -0.759 3.080 16.686 394 HB VAL 52 HB VAL 52 -0.354 1.146 14.382 395 1HG1 VAL 52 1HG1 VAL 52 0.349 3.354 13.520 396 2HG1 VAL 52 2HG1 VAL 52 1.346 3.610 14.969 397 3HG1 VAL 52 3HG1 VAL 52 1.722 2.300 13.819 398 1HG2 VAL 52 1HG2 VAL 52 0.331 0.408 16.642 399 2HG2 VAL 52 2HG2 VAL 52 1.762 0.710 15.650 400 3HG2 VAL 52 3HG2 VAL 52 1.275 1.894 16.867 401 H ALA 53 H ALA 53 -2.941 2.265 13.897 402 HA ALA 53 HA ALA 53 -2.676 4.872 12.735 403 1HB ALA 53 1HB ALA 53 -4.631 4.239 11.422 404 2HB ALA 53 2HB ALA 53 -3.504 2.872 11.521 405 3HB ALA 53 3HB ALA 53 -4.969 2.892 12.534 406 H ALA 54 H ALA 54 -4.940 3.529 15.193 407 HA ALA 54 HA ALA 54 -6.547 5.875 15.394 408 1HB ALA 54 1HB ALA 54 -5.965 3.711 17.474 409 2HB ALA 54 2HB ALA 54 -7.308 4.871 17.519 410 3HB ALA 54 3HB ALA 54 -7.243 3.646 16.235 411 H GLU 55 H GLU 55 -3.441 4.954 16.993 412 HA GLU 55 HA GLU 55 -3.340 7.133 18.776 413 1HB GLU 55 1HB GLU 55 -1.835 5.071 18.601 414 2HB GLU 55 2HB GLU 55 -0.923 5.947 17.364 415 1HG GLU 55 1HG GLU 55 -0.455 7.755 18.996 416 2HG GLU 55 2HG GLU 55 -1.404 6.902 20.218 417 H HIS 56 H HIS 56 -3.058 7.121 15.299 418 HA HIS 56 HA HIS 56 -2.279 9.998 15.283 419 1HB HIS 56 1HB HIS 56 -2.183 7.923 13.067 420 2HB HIS 56 2HB HIS 56 -1.689 9.612 12.921 421 HD1 HIS 56 HD1 HIS 56 0.470 10.273 14.733 422 HD2 HIS 56 HD2 HIS 56 -0.291 6.267 13.704 423 HE1 HIS 56 HE1 HIS 56 2.575 8.974 15.325 424 H GLN 57 H GLN 57 -4.982 8.429 15.721 425 HA GLN 57 HA GLN 57 -7.150 8.631 15.194 426 1HB GLN 57 1HB GLN 57 -6.364 11.535 14.705 427 2HB GLN 57 2HB GLN 57 -8.007 10.936 14.916 428 1HG GLN 57 1HG GLN 57 -7.429 11.796 17.010 429 2HG GLN 57 2HG GLN 57 -7.358 10.049 17.188 430 1HE2 GLN 57 2HE2 GLN 57 -5.425 9.167 17.992 431 2HE2 GLN 57 1HE2 GLN 57 -3.922 10.052 18.126 432 H LEU 58 H LEU 58 -5.767 7.442 13.146 433 HA LEU 58 HA LEU 58 -7.515 8.228 10.832 434 1HB LEU 58 1HB LEU 58 -5.165 8.375 10.227 435 2HB LEU 58 2HB LEU 58 -4.843 6.775 10.905 436 HG LEU 58 HG LEU 58 -6.144 5.686 9.175 437 1HD1 LEU 58 1HD1 LEU 58 -6.878 8.514 8.300 438 2HD1 LEU 58 2HD1 LEU 58 -7.019 7.118 7.221 439 3HD1 LEU 58 3HD1 LEU 58 -7.970 7.164 8.698 440 1HD2 LEU 58 1HD2 LEU 58 -4.323 7.801 7.958 441 2HD2 LEU 58 2HD2 LEU 58 -3.772 6.311 8.752 442 3HD2 LEU 58 3HD2 LEU 58 -4.727 6.212 7.274 443 H SER 59 H SER 59 -9.258 6.898 10.737 444 HA SER 59 HA SER 59 -9.476 4.513 12.273 445 1HB SER 59 1HB SER 59 -11.074 5.324 9.801 446 2HB SER 59 2HB SER 59 -11.605 4.259 11.113 447 HG SER 59 HG SER 59 -11.592 6.040 12.509 448 H LEU 60 H LEU 60 -9.078 2.373 11.688 449 HA LEU 60 HA LEU 60 -7.836 1.871 9.019 450 1HB LEU 60 1HB LEU 60 -6.645 1.895 11.469 451 2HB LEU 60 2HB LEU 60 -7.199 0.249 11.458 452 HG LEU 60 HG LEU 60 -4.848 0.598 10.825 453 1HD1 LEU 60 1HD1 LEU 60 -6.390 -0.604 8.511 454 2HD1 LEU 60 2HD1 LEU 60 -4.685 -0.884 8.928 455 3HD1 LEU 60 3HD1 LEU 60 -5.964 -1.430 10.026 456 1HD2 LEU 60 1HD2 LEU 60 -4.089 1.667 8.920 457 2HD2 LEU 60 2HD2 LEU 60 -5.688 1.728 8.151 458 3HD2 LEU 60 3HD2 LEU 60 -5.320 2.777 9.537 459 H GLU 61 H GLU 61 -10.715 1.606 10.019 460 HA GLU 61 HA GLU 61 -11.092 -1.285 10.389 461 1HB GLU 61 1HB GLU 61 -13.022 1.076 10.440 462 2HB GLU 61 2HB GLU 61 -13.463 -0.601 10.786 463 1HG GLU 61 1HG GLU 61 -11.809 -0.635 12.660 464 2HG GLU 61 2HG GLU 61 -11.462 1.071 12.370 465 H GLY 62 H GLY 62 -12.849 -2.400 9.204 466 1HA GLY 62 1HA GLY 62 -14.227 -2.834 7.442 467 2HA GLY 62 2HA GLY 62 -13.852 -1.248 6.751 468 H HIS 63 H HIS 63 -10.903 -2.811 7.267 469 HA HIS 63 HA HIS 63 -10.587 -3.471 4.437 470 1HB HIS 63 1HB HIS 63 -8.699 -2.499 5.652 471 2HB HIS 63 2HB HIS 63 -8.760 -3.801 6.848 472 HD1 HIS 63 HD1 HIS 63 -8.253 -3.594 2.960 473 HD2 HIS 63 HD2 HIS 63 -7.079 -5.745 6.387 474 HE1 HIS 63 HE1 HIS 63 -6.708 -5.406 2.159 475 H CYS 64 H CYS 64 -10.487 -5.502 3.590 476 HA CYS 64 HA CYS 64 -10.619 -7.868 5.387 477 1HB CYS 64 1HB CYS 64 -12.219 -7.382 2.837 478 2HB CYS 64 2HB CYS 64 -12.056 -8.956 3.639 479 HG CYS 64 HG CYS 64 -14.425 -7.946 4.129 480 H ALA 65 H ALA 65 -8.654 -8.786 5.084 481 HA ALA 65 HA ALA 65 -6.936 -8.202 2.881 482 1HB ALA 65 1HB ALA 65 -6.030 -8.788 5.039 483 2HB ALA 65 2HB ALA 65 -6.886 -10.347 5.046 484 3HB ALA 65 3HB ALA 65 -5.562 -10.064 3.899 485 H ARG 66 H ARG 66 -6.097 -9.735 1.294 486 HA ARG 66 HA ARG 66 -7.660 -12.024 0.465 487 1HB ARG 66 1HB ARG 66 -8.698 -11.014 -1.544 488 2HB ARG 66 2HB ARG 66 -9.367 -10.347 -0.061 489 1HG ARG 66 1HG ARG 66 -7.803 -8.358 -0.332 490 2HG ARG 66 2HG ARG 66 -7.346 -9.017 -1.913 491 1HD ARG 66 1HD ARG 66 -9.705 -8.857 -2.654 492 2HD ARG 66 2HD ARG 66 -10.152 -8.208 -1.055 493 HE ARG 66 HE ARG 66 -7.986 -6.698 -2.085 494 1HH1 ARG 66 1HH1 ARG 66 -11.544 -6.932 -2.548 495 2HH1 ARG 66 2HH1 ARG 66 -11.617 -5.248 -3.023 496 1HH2 ARG 66 1HH2 ARG 66 -8.199 -4.662 -2.856 497 2HH2 ARG 66 2HH2 ARG 66 -9.803 -4.027 -3.277 498 H GLN 67 H GLN 67 -6.667 -12.994 -1.439 499 HA GLN 67 HA GLN 67 -3.906 -12.087 -1.788 500 1HB GLN 67 1HB GLN 67 -4.711 -14.585 -1.617 501 2HB GLN 67 2HB GLN 67 -5.125 -14.379 -3.332 502 1HG GLN 67 1HG GLN 67 -2.742 -13.610 -3.731 503 2HG GLN 67 2HG GLN 67 -2.410 -13.873 -2.019 504 1HE2 GLN 67 2HE2 GLN 67 -0.631 -15.191 -3.038 505 2HE2 GLN 67 1HE2 GLN 67 -0.989 -16.858 -3.440 506 H ILE 68 H ILE 68 -3.011 -11.322 -3.571 507 HA ILE 68 HA ILE 68 -4.591 -9.786 -5.374 508 HB ILE 68 HB ILE 68 -2.232 -9.337 -4.728 509 1HG1 ILE 68 1HG1 ILE 68 -1.359 -8.617 -6.883 510 2HG1 ILE 68 2HG1 ILE 68 -2.487 -9.660 -7.744 511 1HG2 ILE 68 1HG2 ILE 68 -1.358 -11.676 -4.811 512 2HG2 ILE 68 2HG2 ILE 68 -1.409 -11.603 -6.576 513 3HG2 ILE 68 3HG2 ILE 68 -0.354 -10.498 -5.675 514 1HD1 ILE 68 1HD1 ILE 68 -3.136 -7.224 -7.642 515 2HD1 ILE 68 2HD1 ILE 68 -4.379 -8.319 -7.024 516 3HD1 ILE 68 3HD1 ILE 68 -3.357 -7.401 -5.893 517 H SER 69 H SER 69 -5.054 -10.191 -7.567 518 HA SER 69 HA SER 69 -4.430 -12.817 -8.711 519 1HB SER 69 1HB SER 69 -6.697 -13.251 -9.426 520 2HB SER 69 2HB SER 69 -6.709 -13.038 -7.667 521 HG SER 69 HG SER 69 -8.392 -11.887 -8.608 522 H ARG 70 H ARG 70 -4.731 -12.703 -11.141 523 HA ARG 70 HA ARG 70 -3.751 -10.200 -12.149 524 1HB ARG 70 1HB ARG 70 -3.263 -12.440 -13.097 525 2HB ARG 70 2HB ARG 70 -4.933 -12.566 -13.670 526 1HG ARG 70 1HG ARG 70 -4.602 -10.711 -15.213 527 2HG ARG 70 2HG ARG 70 -3.014 -10.337 -14.503 528 1HD ARG 70 1HD ARG 70 -2.125 -12.493 -15.226 529 2HD ARG 70 2HD ARG 70 -3.713 -12.980 -15.853 530 HE ARG 70 HE ARG 70 -3.232 -10.664 -17.233 531 1HH1 ARG 70 1HH1 ARG 70 -1.309 -13.646 -16.843 532 2HH1 ARG 70 2HH1 ARG 70 -0.635 -13.550 -18.428 533 1HH2 ARG 70 1HH2 ARG 70 -2.427 -10.553 -19.196 534 2HH2 ARG 70 2HH2 ARG 70 -1.281 -11.708 -19.858 535 H ARG 71 H ARG 71 -7.047 -11.633 -11.981 536 HA ARG 71 HA ARG 71 -8.378 -9.591 -13.447 537 1HB ARG 71 1HB ARG 71 -9.374 -11.136 -11.004 538 2HB ARG 71 2HB ARG 71 -10.381 -10.244 -12.137 539 1HG ARG 71 1HG ARG 71 -8.739 -12.732 -12.784 540 2HG ARG 71 2HG ARG 71 -10.484 -12.658 -12.531 541 1HD ARG 71 1HD ARG 71 -10.712 -11.168 -14.505 542 2HD ARG 71 2HD ARG 71 -8.960 -11.287 -14.788 543 HE ARG 71 HE ARG 71 -9.920 -13.910 -14.647 544 1HH1 ARG 71 1HH2 ARG 71 -10.417 -11.103 -16.765 545 2HH1 ARG 71 2HH2 ARG 71 -10.744 -12.043 -18.172 546 1HH2 ARG 71 1HH1 ARG 71 -10.362 -15.165 -16.520 547 2HH2 ARG 71 2HH1 ARG 71 -10.715 -14.404 -18.024 548 H LEU 72 H LEU 72 -7.600 -9.725 -9.883 549 HA LEU 72 HA LEU 72 -8.604 -7.137 -9.334 550 1HB LEU 72 1HB LEU 72 -6.666 -8.999 -8.008 551 2HB LEU 72 2HB LEU 72 -6.421 -7.276 -7.711 552 HG LEU 72 HG LEU 72 -8.775 -7.029 -7.056 553 1HD1 LEU 72 1HD1 LEU 72 -8.871 -10.071 -7.021 554 2HD1 LEU 72 2HD1 LEU 72 -10.132 -8.971 -6.432 555 3HD1 LEU 72 3HD1 LEU 72 -9.757 -9.031 -8.159 556 1HD2 LEU 72 1HD2 LEU 72 -8.491 -8.045 -4.812 557 2HD2 LEU 72 2HD2 LEU 72 -7.165 -9.051 -5.430 558 3HD2 LEU 72 3HD2 LEU 72 -6.997 -7.280 -5.369 559 H CYS 73 H CYS 73 -5.296 -8.140 -10.430 560 HA CYS 73 HA CYS 73 -4.152 -5.604 -10.332 561 1HB CYS 73 1HB CYS 73 -3.671 -7.824 -12.381 562 2HB CYS 73 2HB CYS 73 -2.648 -6.409 -12.175 563 HG CYS 73 HG CYS 73 -3.415 -8.703 -9.918 564 H ARG 74 H ARG 74 -6.016 -7.029 -13.102 565 HA ARG 74 HA ARG 74 -5.774 -4.726 -14.770 566 1HB ARG 74 1HB ARG 74 -7.761 -7.031 -14.637 567 2HB ARG 74 2HB ARG 74 -7.871 -5.760 -15.859 568 1HG ARG 74 1HG ARG 74 -5.696 -6.290 -16.760 569 2HG ARG 74 2HG ARG 74 -5.357 -7.434 -15.457 570 1HD ARG 74 1HD ARG 74 -5.997 -8.584 -17.561 571 2HD ARG 74 2HD ARG 74 -7.071 -8.950 -16.216 572 HE ARG 74 HE ARG 74 -8.825 -7.960 -17.289 573 1HH1 ARG 74 1HH2 ARG 74 -5.855 -7.054 -19.083 574 2HH1 ARG 74 2HH2 ARG 74 -6.744 -6.368 -20.400 575 1HH2 ARG 74 1HH1 ARG 74 -9.949 -7.038 -19.051 576 2HH2 ARG 74 2HH1 ARG 74 -9.096 -6.361 -20.383 577 H ASN 75 H ASN 75 -7.968 -5.324 -12.037 578 HA ASN 75 HA ASN 75 -9.944 -3.420 -12.798 579 1HB ASN 75 1HB ASN 75 -10.285 -5.199 -11.096 580 2HB ASN 75 2HB ASN 75 -9.194 -4.349 -10.003 581 1HD2 ASN 75 2HD2 ASN 75 -10.056 -2.694 -8.706 582 2HD2 ASN 75 1HD2 ASN 75 -11.692 -2.108 -8.868 583 H TYR 76 H TYR 76 -6.702 -2.898 -11.590 584 HA TYR 76 HA TYR 76 -7.397 -0.033 -11.106 585 1HB TYR 76 1HB TYR 76 -5.211 -1.551 -9.673 586 2HB TYR 76 2HB TYR 76 -5.744 0.084 -9.352 587 HD1 TYR 76 HD1 TYR 76 -7.691 0.483 -7.817 588 HD2 TYR 76 HD2 TYR 76 -6.614 -3.462 -9.091 589 HE1 TYR 76 HE1 TYR 76 -9.276 -0.456 -6.194 590 HE2 TYR 76 HE2 TYR 76 -8.208 -4.448 -7.474 591 HH TYR 76 HH TYR 76 -9.829 -4.001 -5.869 592 H ASP 77 H ASP 77 -5.299 1.388 -11.297 593 HA ASP 77 HA ASP 77 -3.971 0.528 -13.846 594 1HB ASP 77 1HB ASP 77 -5.949 2.055 -14.106 595 2HB ASP 77 2HB ASP 77 -5.047 3.285 -13.216 596 H LEU 78 H LEU 78 -3.261 1.140 -10.739 597 HA LEU 78 HA LEU 78 -0.466 1.682 -11.368 598 1HB LEU 78 1HB LEU 78 -1.845 3.900 -10.742 599 2HB LEU 78 2HB LEU 78 -1.762 3.257 -9.119 600 HG LEU 78 HG LEU 78 -0.076 4.908 -9.462 601 1HD1 LEU 78 1HD1 LEU 78 1.444 2.285 -9.455 602 2HD1 LEU 78 2HD1 LEU 78 1.898 3.823 -8.716 603 3HD1 LEU 78 3HD1 LEU 78 0.529 2.915 -8.065 604 1HD2 LEU 78 1HD2 LEU 78 1.133 3.252 -11.710 605 2HD2 LEU 78 2HD2 LEU 78 0.088 4.670 -11.947 606 3HD2 LEU 78 3HD2 LEU 78 1.637 4.856 -11.125 607 H ILE 79 H ILE 79 0.707 0.301 -9.966 608 HA ILE 79 HA ILE 79 -0.835 -0.939 -7.733 609 HB ILE 79 HB ILE 79 1.198 -2.382 -9.445 610 1HG1 ILE 79 1HG1 ILE 79 -0.773 -1.997 -10.856 611 2HG1 ILE 79 2HG1 ILE 79 -0.504 -3.685 -10.489 612 1HG2 ILE 79 1HG2 ILE 79 0.244 -4.402 -8.277 613 2HG2 ILE 79 2HG2 ILE 79 1.111 -3.288 -7.214 614 3HG2 ILE 79 3HG2 ILE 79 -0.662 -3.300 -7.226 615 1HD1 ILE 79 1HD1 ILE 79 -2.346 -3.701 -8.876 616 2HD1 ILE 79 2HD1 ILE 79 -2.593 -1.952 -9.104 617 3HD1 ILE 79 3HD1 ILE 79 -2.901 -3.081 -10.433 618 H LEU 80 H LEU 80 0.302 -1.027 -5.821 619 HA LEU 80 HA LEU 80 2.998 0.270 -5.778 620 1HB LEU 80 1HB LEU 80 0.623 0.554 -3.899 621 2HB LEU 80 2HB LEU 80 2.235 1.172 -3.549 622 HG LEU 80 HG LEU 80 0.566 2.041 -5.947 623 1HD1 LEU 80 1HD1 LEU 80 0.921 3.356 -3.243 624 2HD1 LEU 80 2HD1 LEU 80 0.200 4.138 -4.668 625 3HD1 LEU 80 3HD1 LEU 80 -0.569 2.721 -3.936 626 1HD2 LEU 80 1HD2 LEU 80 2.146 3.920 -6.068 627 2HD2 LEU 80 2HD2 LEU 80 3.144 3.159 -4.811 628 3HD2 LEU 80 3HD2 LEU 80 2.923 2.373 -6.387 629 H THR 81 H THR 81 4.540 -0.824 -4.619 630 HA THR 81 HA THR 81 3.639 -3.196 -3.035 631 HB THR 81 HB THR 81 5.432 -4.406 -3.828 632 HG1 THR 81 1HG THR 81 7.257 -3.544 -4.462 633 1HG2 THR 81 1HG2 THR 81 4.657 -2.850 -6.314 634 2HG2 THR 81 2HG2 THR 81 5.228 -4.528 -6.229 635 3HG2 THR 81 3HG2 THR 81 3.632 -4.113 -5.575 636 H MET 82 H MET 82 5.480 -3.777 -1.327 637 HA MET 82 HA MET 82 6.485 -1.242 -0.151 638 1HB MET 82 1HB MET 82 6.144 -4.063 0.941 639 2HB MET 82 2HB MET 82 6.782 -2.696 1.863 640 1HG MET 82 1HG MET 82 4.026 -2.904 0.625 641 2HG MET 82 2HG MET 82 4.391 -3.051 2.344 642 1HE MET 82 1HE MET 82 2.367 -1.132 0.479 643 2HE MET 82 2HE MET 82 2.170 -1.192 2.249 644 3HE MET 82 3HE MET 82 2.353 0.372 1.418 645 H GLU 83 H GLU 83 7.629 -4.084 -1.858 646 HA GLU 83 HA GLU 83 10.438 -3.347 -1.210 647 1HB GLU 83 1HB GLU 83 9.139 -6.102 -1.038 648 2HB GLU 83 2HB GLU 83 10.886 -5.831 -1.043 649 1HG GLU 83 1HG GLU 83 10.785 -4.605 1.049 650 2HG GLU 83 2HG GLU 83 9.020 -4.646 1.049 651 H LYS 84 H LYS 84 11.952 -3.970 -2.864 652 HA LYS 84 HA LYS 84 10.903 -3.766 -5.505 653 1HB LYS 84 1HB LYS 84 13.685 -4.656 -4.598 654 2HB LYS 84 2HB LYS 84 13.209 -4.260 -6.246 655 1HG LYS 84 1HG LYS 84 13.894 -2.180 -5.813 656 2HG LYS 84 2HG LYS 84 12.369 -1.981 -4.961 657 1HD LYS 84 1HD LYS 84 13.596 -2.687 -2.817 658 2HD LYS 84 2HD LYS 84 15.094 -2.680 -3.775 659 1HE LYS 84 1HE LYS 84 14.485 -0.272 -4.444 660 2HE LYS 84 2HE LYS 84 13.219 -0.340 -3.216 661 1HZ LYS 84 1HZ LYS 84 16.132 -0.554 -2.728 662 2HZ LYS 84 2HZ LYS 84 15.130 0.688 -2.327 663 3HZ LYS 84 3HZ LYS 84 15.002 -0.721 -1.542 664 H ARG 85 H ARG 85 11.917 -6.652 -3.607 665 HA ARG 85 HA ARG 85 11.602 -8.485 -5.741 666 1HB ARG 85 1HB ARG 85 11.515 -10.224 -4.095 667 2HB ARG 85 2HB ARG 85 12.731 -9.039 -3.637 668 1HG ARG 85 1HG ARG 85 11.054 -8.038 -2.018 669 2HG ARG 85 2HG ARG 85 9.958 -9.371 -2.397 670 1HD ARG 85 1HD ARG 85 12.762 -9.653 -1.240 671 2HD ARG 85 2HD ARG 85 11.255 -9.724 -0.312 672 HE ARG 85 HE ARG 85 11.054 -11.642 -2.367 673 1HH1 ARG 85 1HH2 ARG 85 12.995 -11.100 0.554 674 2HH1 ARG 85 2HH2 ARG 85 13.294 -12.772 0.842 675 1HH2 ARG 85 1HH1 ARG 85 11.458 -13.880 -1.991 676 2HH2 ARG 85 2HH1 ARG 85 12.393 -14.384 -0.637 677 H HIS 86 H HIS 86 9.098 -6.821 -3.862 678 HA HIS 86 HA HIS 86 6.986 -8.714 -4.605 679 1HB HIS 86 1HB HIS 86 6.891 -5.843 -3.641 680 2HB HIS 86 2HB HIS 86 5.472 -6.823 -3.976 681 HD1 HIS 86 HD1 HIS 86 7.933 -8.900 -2.082 682 HD2 HIS 86 HD2 HIS 86 4.988 -6.001 -1.346 683 HE1 HIS 86 HE1 HIS 86 7.424 -9.014 0.404 684 H ILE 87 H ILE 87 8.477 -5.728 -5.980 685 HA ILE 87 HA ILE 87 6.543 -5.290 -8.038 686 HB ILE 87 HB ILE 87 9.543 -4.755 -8.205 687 1HG1 ILE 87 1HG1 ILE 87 7.366 -2.922 -7.110 688 2HG1 ILE 87 2HG1 ILE 87 8.607 -3.733 -6.149 689 1HG2 ILE 87 1HG2 ILE 87 7.298 -3.243 -9.567 690 2HG2 ILE 87 2HG2 ILE 87 9.040 -3.092 -9.850 691 3HG2 ILE 87 3HG2 ILE 87 8.208 -4.553 -10.353 692 1HD1 ILE 87 1HD1 ILE 87 10.363 -2.482 -7.467 693 2HD1 ILE 87 2HD1 ILE 87 9.037 -1.503 -8.147 694 3HD1 ILE 87 3HD1 ILE 87 9.327 -1.517 -6.400 695 H GLU 88 H GLU 88 9.556 -7.275 -7.893 696 HA GLU 88 HA GLU 88 9.413 -8.196 -10.569 697 1HB GLU 88 1HB GLU 88 10.623 -9.522 -8.103 698 2HB GLU 88 2HB GLU 88 10.869 -10.066 -9.767 699 1HG GLU 88 1HG GLU 88 11.832 -7.837 -10.342 700 2HG GLU 88 2HG GLU 88 11.667 -7.339 -8.659 701 H ARG 89 H ARG 89 8.057 -9.662 -7.547 702 HA ARG 89 HA ARG 89 6.933 -11.934 -8.877 703 1HB ARG 89 1HB ARG 89 6.158 -10.521 -6.289 704 2HB ARG 89 2HB ARG 89 5.428 -12.030 -6.857 705 1HG ARG 89 1HG ARG 89 7.676 -13.120 -6.858 706 2HG ARG 89 2HG ARG 89 8.391 -11.625 -6.259 707 1HD ARG 89 1HD ARG 89 8.094 -13.134 -4.406 708 2HD ARG 89 2HD ARG 89 6.988 -11.766 -4.216 709 HE ARG 89 HE ARG 89 5.790 -14.034 -5.591 710 1HH1 ARG 89 1HH1 ARG 89 6.605 -12.864 -2.341 711 2HH1 ARG 89 2HH1 ARG 89 5.399 -13.803 -1.546 712 1HH2 ARG 89 1HH2 ARG 89 4.164 -15.268 -4.538 713 2HH2 ARG 89 2HH2 ARG 89 3.975 -15.196 -2.831 714 H LEU 90 H LEU 90 5.560 -8.672 -8.215 715 HA LEU 90 HA LEU 90 2.948 -9.219 -9.161 716 1HB LEU 90 1HB LEU 90 4.079 -7.092 -7.963 717 2HB LEU 90 2HB LEU 90 4.249 -6.543 -9.611 718 HG LEU 90 HG LEU 90 2.297 -5.563 -8.719 719 1HD1 LEU 90 1HD1 LEU 90 1.968 -6.434 -11.030 720 2HD1 LEU 90 2HD1 LEU 90 1.173 -7.866 -10.331 721 3HD1 LEU 90 3HD1 LEU 90 0.471 -6.261 -10.098 722 1HD2 LEU 90 1HD2 LEU 90 1.997 -6.948 -6.767 723 2HD2 LEU 90 2HD2 LEU 90 0.467 -6.797 -7.644 724 3HD2 LEU 90 3HD2 LEU 90 1.398 -8.301 -7.764 725 H CYS 91 H CYS 91 5.895 -8.020 -10.888 726 HA CYS 91 HA CYS 91 4.672 -7.710 -13.437 727 1HB CYS 91 1HB CYS 91 7.556 -8.420 -12.715 728 2HB CYS 91 2HB CYS 91 6.992 -7.966 -14.329 729 HG CYS 91 HG CYS 91 6.891 -6.242 -11.518 730 H GLU 92 H GLU 92 6.149 -10.593 -11.832 731 HA GLU 92 HA GLU 92 6.035 -12.258 -14.126 732 1HB GLU 92 1HB GLU 92 7.432 -12.652 -12.110 733 2HB GLU 92 2HB GLU 92 5.980 -13.053 -11.184 734 1HG GLU 92 1HG GLU 92 5.524 -14.956 -12.689 735 2HG GLU 92 2HG GLU 92 6.912 -14.519 -13.687 736 H MET 93 H MET 93 3.673 -11.808 -11.399 737 HA MET 93 HA MET 93 1.931 -13.806 -12.597 738 1HB MET 93 1HB MET 93 0.544 -13.568 -10.666 739 2HB MET 93 2HB MET 93 2.229 -13.744 -10.228 740 1HG MET 93 1HG MET 93 1.391 -12.178 -8.727 741 2HG MET 93 2HG MET 93 2.345 -11.255 -9.869 742 1HE MET 93 1HE MET 93 -1.228 -12.323 -8.776 743 2HE MET 93 2HE MET 93 -2.265 -11.152 -9.619 744 3HE MET 93 3HE MET 93 -1.481 -12.454 -10.536 745 H ALA 94 H ALA 94 2.077 -10.296 -12.793 746 HA ALA 94 HA ALA 94 -0.212 -10.432 -14.692 747 1HB ALA 94 1HB ALA 94 0.043 -8.411 -12.436 748 2HB ALA 94 2HB ALA 94 -1.141 -8.351 -13.759 749 3HB ALA 94 3HB ALA 94 -1.190 -9.683 -12.588 750 HA PRO 95 HA PRO 95 3.656 -8.368 -16.218 751 1HB PRO 95 1HB PRO 95 3.588 -9.311 -18.817 752 2HB PRO 95 2HB PRO 95 4.310 -10.191 -17.437 753 1HG PRO 95 1HG PRO 95 1.540 -10.525 -18.617 754 2HG PRO 95 2HG PRO 95 2.721 -11.801 -18.180 755 1HD PRO 95 1HD PRO 95 0.686 -11.134 -16.524 756 2HD PRO 95 2HD PRO 95 2.305 -11.516 -15.865 757 H GLU 96 H GLU 96 0.318 -8.250 -17.357 758 HA GLU 96 HA GLU 96 0.456 -6.094 -19.163 759 1HB GLU 96 1HB GLU 96 -1.627 -6.723 -17.019 760 2HB GLU 96 2HB GLU 96 -1.872 -5.639 -18.400 761 1HG GLU 96 1HG GLU 96 -1.561 -7.502 -19.966 762 2HG GLU 96 2HG GLU 96 -1.169 -8.589 -18.627 763 H MET 97 H MET 97 0.789 -6.182 -15.650 764 HA MET 97 HA MET 97 0.558 -3.241 -15.435 765 1HB MET 97 1HB MET 97 0.941 -5.308 -13.235 766 2HB MET 97 2HB MET 97 0.560 -3.599 -13.030 767 1HG MET 97 1HG MET 97 -1.201 -5.774 -14.170 768 2HG MET 97 2HG MET 97 -1.451 -4.809 -12.717 769 1HE MET 97 1HE MET 97 -2.661 -2.478 -12.648 770 2HE MET 97 2HE MET 97 -1.144 -1.876 -13.361 771 3HE MET 97 3HE MET 97 -2.711 -1.394 -14.049 772 H ARG 98 H ARG 98 3.081 -5.094 -16.429 773 HA ARG 98 HA ARG 98 5.210 -4.346 -14.711 774 1HB ARG 98 1HB ARG 98 6.686 -4.823 -16.532 775 2HB ARG 98 2HB ARG 98 5.367 -5.990 -16.563 776 1HG ARG 98 1HG ARG 98 4.281 -4.447 -18.360 777 2HG ARG 98 2HG ARG 98 5.851 -3.632 -18.432 778 1HD ARG 98 1HD ARG 98 6.951 -5.788 -18.963 779 2HD ARG 98 2HD ARG 98 5.394 -6.617 -18.899 780 HE ARG 98 HE ARG 98 6.470 -4.967 -21.034 781 1HH1 ARG 98 1HH2 ARG 98 3.419 -6.178 -19.652 782 2HH1 ARG 98 2HH2 ARG 98 2.569 -6.125 -21.162 783 1HH2 ARG 98 1HH1 ARG 98 5.315 -4.849 -23.009 784 2HH2 ARG 98 2HH1 ARG 98 3.661 -5.319 -23.094 785 H GLY 99 H GLY 99 6.373 -2.454 -14.443 786 1HA GLY 99 1HA GLY 99 6.958 -0.238 -14.653 787 2HA GLY 99 2HA GLY 99 6.040 -0.131 -16.159 788 H LYS 100 H LYS 100 3.441 -1.002 -15.083 789 HA LYS 100 HA LYS 100 2.569 1.418 -13.703 790 1HB LYS 100 1HB LYS 100 1.079 -1.192 -14.225 791 2HB LYS 100 2HB LYS 100 0.383 0.277 -13.543 792 1HG LYS 100 1HG LYS 100 1.007 1.518 -15.627 793 2HG LYS 100 2HG LYS 100 1.561 -0.012 -16.340 794 1HD LYS 100 1HD LYS 100 -0.710 -0.962 -16.103 795 2HD LYS 100 2HD LYS 100 -1.263 0.537 -15.324 796 1HE LYS 100 1HE LYS 100 -0.606 1.796 -17.401 797 2HE LYS 100 2HE LYS 100 -0.230 0.252 -18.180 798 1HZ LYS 100 1HZ LYS 100 -2.460 1.014 -18.715 799 2HZ LYS 100 2HZ LYS 100 -2.567 -0.373 -17.862 800 3HZ LYS 100 3HZ LYS 100 -2.889 1.071 -17.136 801 H VAL 101 H VAL 101 3.744 -1.766 -12.670 802 HA VAL 101 HA VAL 101 2.953 -1.207 -9.914 803 HB VAL 101 HB VAL 101 2.903 -3.494 -10.624 804 1HG1 VAL 101 1HG1 VAL 101 5.869 -3.310 -11.257 805 2HG1 VAL 101 2HG1 VAL 101 4.929 -4.808 -11.129 806 3HG1 VAL 101 3HG1 VAL 101 4.557 -3.638 -12.386 807 1HG2 VAL 101 1HG2 VAL 101 4.290 -4.468 -8.816 808 2HG2 VAL 101 2HG2 VAL 101 5.171 -2.957 -8.666 809 3HG2 VAL 101 3HG2 VAL 101 3.432 -3.011 -8.303 810 H MET 102 H MET 102 4.219 -0.210 -8.387 811 HA MET 102 HA MET 102 7.092 0.271 -8.942 812 1HB MET 102 1HB MET 102 4.971 2.449 -8.645 813 2HB MET 102 2HB MET 102 6.681 2.738 -8.303 814 1HG MET 102 1HG MET 102 7.299 2.021 -10.562 815 2HG MET 102 2HG MET 102 5.603 1.747 -10.958 816 1HE MET 102 1HE MET 102 3.803 3.823 -10.324 817 2HE MET 102 2HE MET 102 4.036 5.089 -11.556 818 3HE MET 102 3HE MET 102 4.097 3.372 -12.016 819 H LEU 103 H LEU 103 8.215 1.137 -7.050 820 HA LEU 103 HA LEU 103 7.393 -0.111 -4.593 821 1HB LEU 103 1HB LEU 103 9.802 0.448 -5.437 822 2HB LEU 103 2HB LEU 103 9.452 2.109 -4.996 823 HG LEU 103 HG LEU 103 8.948 1.224 -2.615 824 1HD1 LEU 103 1HD1 LEU 103 10.057 -0.928 -2.048 825 2HD1 LEU 103 2HD1 LEU 103 8.698 -1.174 -3.150 826 3HD1 LEU 103 3HD1 LEU 103 10.358 -1.227 -3.772 827 1HD2 LEU 103 1HD2 LEU 103 11.730 1.042 -3.836 828 2HD2 LEU 103 2HD2 LEU 103 10.951 2.465 -3.115 829 3HD2 LEU 103 3HD2 LEU 103 11.395 1.099 -2.089 830 H PHE 104 H PHE 104 6.102 0.784 -2.947 831 HA PHE 104 HA PHE 104 4.825 3.231 -3.346 832 1HB PHE 104 1HB PHE 104 4.045 1.356 -1.871 833 2HB PHE 104 2HB PHE 104 5.263 1.813 -0.685 834 HD1 PHE 104 HD1 PHE 104 3.820 2.386 1.156 835 HD2 PHE 104 HD2 PHE 104 3.081 4.130 -2.716 836 HE1 PHE 104 HE1 PHE 104 2.018 3.816 2.111 837 HE2 PHE 104 HE2 PHE 104 1.350 5.552 -1.767 838 HZ PHE 104 HZ PHE 104 0.700 5.310 0.604 839 H GLY 105 H GLY 105 7.764 2.517 -1.463 840 1HA GLY 105 1HA GLY 105 8.010 5.253 -0.476 841 2HA GLY 105 2HA GLY 105 9.134 3.917 -0.222 842 H HIS 106 H HIS 106 8.174 4.605 -3.547 843 HA HIS 106 HA HIS 106 10.757 4.831 -4.522 844 1HB HIS 106 1HB HIS 106 9.002 4.334 -5.989 845 2HB HIS 106 2HB HIS 106 8.097 5.789 -5.556 846 HD1 HIS 106 HD1 HIS 106 11.359 4.873 -7.536 847 HD2 HIS 106 HD2 HIS 106 8.449 7.902 -7.038 848 HE1 HIS 106 HE1 HIS 106 11.814 6.616 -9.317 849 H TRP 107 H TRP 107 8.545 7.554 -3.642 850 HA TRP 107 HA TRP 107 10.295 9.609 -4.471 851 1HB TRP 107 1HB TRP 107 8.325 9.822 -2.187 852 2HB TRP 107 2HB TRP 107 8.807 11.078 -3.321 853 HD1 TRP 107 HD1 TRP 107 6.297 8.377 -2.724 854 HE1 TRP 107 HE1 TRP 107 4.636 8.190 -4.627 855 HE3 TRP 107 HE3 TRP 107 8.619 11.438 -6.130 856 HZ2 TRP 107 HZ2 TRP 107 4.274 9.292 -7.286 857 HZ3 TRP 107 HZ3 TRP 107 7.562 11.868 -8.334 858 HH2 TRP 107 HH2 TRP 107 5.368 10.824 -8.902 859 H ASP 108 H ASP 108 10.262 7.663 -1.537 860 HA ASP 108 HA ASP 108 12.033 9.544 -0.081 861 1HB ASP 108 1HB ASP 108 10.035 8.404 1.022 862 2HB ASP 108 2HB ASP 108 10.898 6.880 0.867 863 H ASN 109 H ASN 109 13.340 9.095 -2.148 864 HA ASN 109 HA ASN 109 15.159 8.140 -3.145 865 1HB ASN 109 1HB ASN 109 16.055 9.261 -1.146 866 2HB ASN 109 2HB ASN 109 15.879 7.767 -0.226 867 1HD2 ASN 109 2HD2 ASN 109 17.988 7.413 0.259 868 2HD2 ASN 109 1HD2 ASN 109 19.254 7.118 -0.914 869 H GLU 110 H GLU 110 13.054 6.379 -3.193 870 HA GLU 110 HA GLU 110 12.380 4.256 -3.280 871 1HB GLU 110 1HB GLU 110 15.167 3.733 -4.362 872 2HB GLU 110 2HB GLU 110 13.696 2.783 -4.649 873 1HG GLU 110 1HG GLU 110 12.679 5.023 -5.497 874 2HG GLU 110 2HG GLU 110 14.345 5.581 -5.617 875 H CYS 111 H CYS 111 13.023 4.835 -0.693 876 HA CYS 111 HA CYS 111 14.411 2.600 0.539 877 1HB CYS 111 1HB CYS 111 12.450 4.697 1.527 878 2HB CYS 111 2HB CYS 111 13.068 3.396 2.572 879 HG CYS 111 HG CYS 111 14.606 5.797 0.967 880 H GLU 112 H GLU 112 13.679 0.537 0.550 881 HA GLU 112 HA GLU 112 10.891 -0.135 0.058 882 1HB GLU 112 1HB GLU 112 11.523 -2.396 0.512 883 2HB GLU 112 2HB GLU 112 12.693 -1.690 -0.578 884 1HG GLU 112 1HG GLU 112 13.069 -2.149 2.422 885 2HG GLU 112 2HG GLU 112 13.651 -3.207 1.147 886 H ILE 113 H ILE 113 9.576 -1.313 1.663 887 HA ILE 113 HA ILE 113 9.785 0.101 4.272 888 HB ILE 113 HB ILE 113 7.351 -0.718 2.673 889 1HG1 ILE 113 1HG1 ILE 113 8.839 1.911 2.978 890 2HG1 ILE 113 2HG1 ILE 113 8.476 1.028 1.504 891 1HG2 ILE 113 1HG2 ILE 113 7.514 0.918 5.238 892 2HG2 ILE 113 2HG2 ILE 113 6.049 0.530 4.314 893 3HG2 ILE 113 3HG2 ILE 113 6.930 -0.759 5.111 894 1HD1 ILE 113 1HD1 ILE 113 7.089 2.934 1.545 895 2HD1 ILE 113 2HD1 ILE 113 6.049 1.535 1.830 896 3HD1 ILE 113 3HD1 ILE 113 6.515 2.598 3.187 897 HA PRO 114 HA PRO 114 10.197 -3.994 6.031 898 1HB PRO 114 1HB PRO 114 9.022 -2.750 8.503 899 2HB PRO 114 2HB PRO 114 10.508 -3.722 8.326 900 1HG PRO 114 1HG PRO 114 10.622 -1.014 8.605 901 2HG PRO 114 2HG PRO 114 11.724 -1.877 7.483 902 1HD PRO 114 1HD PRO 114 9.201 -0.349 6.827 903 2HD PRO 114 2HD PRO 114 10.778 -0.383 5.985 904 H ASP 115 H ASP 115 8.875 -5.512 7.530 905 HA ASP 115 HA ASP 115 5.944 -5.362 7.007 906 1HB ASP 115 1HB ASP 115 6.718 -7.100 5.602 907 2HB ASP 115 2HB ASP 115 7.818 -7.719 6.835 908 HA PRO 116 HA PRO 116 6.765 -5.314 11.440 909 1HB PRO 116 1HB PRO 116 4.546 -4.079 12.341 910 2HB PRO 116 2HB PRO 116 5.745 -3.213 11.344 911 1HG PRO 116 1HG PRO 116 3.148 -4.495 10.438 912 2HG PRO 116 2HG PRO 116 3.752 -2.850 10.067 913 1HD PRO 116 1HD PRO 116 4.091 -5.036 8.399 914 2HD PRO 116 2HD PRO 116 5.249 -3.683 8.451 915 H TYR 117 H TYR 117 4.554 -7.372 9.776 916 HA TYR 117 HA TYR 117 2.796 -8.235 11.740 917 1HB TYR 117 1HB TYR 117 2.478 -8.965 9.514 918 2HB TYR 117 2HB TYR 117 4.129 -9.564 9.388 919 HD1 TYR 117 HD1 TYR 117 4.495 -11.810 9.440 920 HD2 TYR 117 HD2 TYR 117 1.081 -10.214 11.523 921 HE1 TYR 117 HE1 TYR 117 3.865 -14.110 10.136 922 HE2 TYR 117 HE2 TYR 117 0.453 -12.504 12.264 923 HH TYR 117 HH TYR 117 2.329 -15.417 11.295 924 H ARG 118 H ARG 118 2.873 -9.495 13.472 925 HA ARG 118 HA ARG 118 3.590 -10.709 15.180 926 1HB ARG 118 1HB ARG 118 4.008 -12.226 13.031 927 2HB ARG 118 2HB ARG 118 5.690 -12.123 13.547 928 1HG ARG 118 1HG ARG 118 5.019 -13.046 15.777 929 2HG ARG 118 2HG ARG 118 3.324 -13.059 15.246 930 1HD ARG 118 1HD ARG 118 3.988 -14.610 13.363 931 2HD ARG 118 2HD ARG 118 5.615 -14.663 14.039 932 HE ARG 118 HE ARG 118 4.885 -15.923 15.846 933 1HH1 ARG 118 1HH2 ARG 118 2.101 -15.164 13.734 934 2HH1 ARG 118 2HH2 ARG 118 1.031 -16.226 14.568 935 1HH2 ARG 118 1HH1 ARG 118 3.452 -17.365 16.892 936 2HH2 ARG 118 2HH1 ARG 118 1.820 -17.527 16.366 937 H LYS 119 H LYS 119 5.061 -8.110 14.564 938 HA LYS 119 HA LYS 119 7.347 -8.605 16.438 939 1HB LYS 119 1HB LYS 119 7.159 -6.548 14.201 940 2HB LYS 119 2HB LYS 119 8.505 -6.723 15.327 941 1HG LYS 119 1HG LYS 119 9.083 -8.906 14.465 942 2HG LYS 119 2HG LYS 119 7.624 -8.978 13.489 943 1HD LYS 119 1HD LYS 119 8.495 -6.904 12.232 944 2HD LYS 119 2HD LYS 119 10.035 -7.209 13.056 945 1HE LYS 119 1HE LYS 119 10.210 -8.326 10.963 946 2HE LYS 119 2HE LYS 119 9.903 -9.603 12.146 947 1HZ LYS 119 1HZ LYS 119 8.513 -9.914 10.227 948 2HZ LYS 119 2HZ LYS 119 7.507 -9.468 11.448 949 3HZ LYS 119 3HZ LYS 119 7.941 -8.381 10.293 950 H SER 120 H SER 120 7.948 -6.376 17.502 951 HA SER 120 HA SER 120 5.839 -5.809 19.273 952 1HB SER 120 1HB SER 120 8.326 -4.140 18.714 953 2HB SER 120 2HB SER 120 7.398 -4.195 20.226 954 HG SER 120 HG SER 120 9.271 -5.518 20.303 955 H ARG 121 H ARG 121 4.713 -3.765 19.705 956 HA ARG 121 HA ARG 121 3.443 -2.714 17.417 957 1HB ARG 121 1HB ARG 121 2.458 -2.828 19.667 958 2HB ARG 121 2HB ARG 121 3.549 -1.557 20.236 959 1HG ARG 121 1HG ARG 121 2.500 0.088 18.803 960 2HG ARG 121 2HG ARG 121 1.593 -1.153 17.933 961 1HD ARG 121 1HD ARG 121 0.307 -1.703 19.948 962 2HD ARG 121 2HD ARG 121 1.225 -0.535 20.896 963 HE ARG 121 HE ARG 121 -0.982 -0.047 19.056 964 1HH1 ARG 121 2HH2 ARG 121 1.840 1.522 20.661 965 2HH1 ARG 121 1HH2 ARG 121 1.136 3.120 20.491 966 1HH2 ARG 121 1HH1 ARG 121 -1.806 2.235 18.971 967 2HH2 ARG 121 2HH1 ARG 121 -0.767 3.470 19.640 968 H GLU 122 H GLU 122 6.353 -1.497 19.099 969 HA GLU 122 HA GLU 122 6.425 1.025 17.809 970 1HB GLU 122 1HB GLU 122 8.800 1.047 18.330 971 2HB GLU 122 2HB GLU 122 7.840 0.490 19.700 972 1HG GLU 122 1HG GLU 122 8.456 -1.863 19.179 973 2HG GLU 122 2HG GLU 122 9.424 -1.310 17.809 974 H THR 123 H THR 123 7.064 -2.195 16.482 975 HA THR 123 HA THR 123 8.509 -1.253 14.151 976 HB THR 123 HB THR 123 6.823 -3.753 14.077 977 HG1 THR 123 1HG THR 123 7.598 -4.064 16.025 978 1HG2 THR 123 1HG2 THR 123 9.694 -3.138 13.249 979 2HG2 THR 123 2HG2 THR 123 8.822 -4.656 12.955 980 3HG2 THR 123 3HG2 THR 123 8.284 -3.161 12.169 981 H PHE 124 H PHE 124 5.056 -1.868 14.989 982 HA PHE 124 HA PHE 124 4.046 -1.273 12.355 983 1HB PHE 124 1HB PHE 124 2.751 -1.256 15.106 984 2HB PHE 124 2HB PHE 124 1.893 -0.848 13.635 985 HD1 PHE 124 HD1 PHE 124 0.970 -2.531 12.237 986 HD2 PHE 124 HD2 PHE 124 3.793 -3.626 15.315 987 HE1 PHE 124 HE1 PHE 124 0.412 -4.931 11.924 988 HE2 PHE 124 HE2 PHE 124 3.249 -6.008 14.960 989 HZ PHE 124 HZ PHE 124 1.557 -6.669 13.268 990 H ALA 125 H ALA 125 4.770 0.746 15.262 991 HA ALA 125 HA ALA 125 3.743 3.176 14.166 992 1HB ALA 125 1HB ALA 125 6.020 2.813 16.157 993 2HB ALA 125 2HB ALA 125 5.080 4.287 15.873 994 3HB ALA 125 3HB ALA 125 4.286 2.857 16.562 995 H ALA 126 H ALA 126 7.067 1.764 14.006 996 HA ALA 126 HA ALA 126 8.232 3.873 12.493 997 1HB ALA 126 1HB ALA 126 9.932 2.194 11.884 998 2HB ALA 126 2HB ALA 126 9.543 2.103 13.614 999 3HB ALA 126 3HB ALA 126 8.890 0.889 12.488 1000 H VAL 127 H VAL 127 6.623 0.825 11.399 1001 HA VAL 127 HA VAL 127 6.905 1.410 8.625 1002 HB VAL 127 HB VAL 127 5.051 -0.420 10.188 1003 1HG1 VAL 127 1HG1 VAL 127 4.557 -1.539 7.999 1004 2HG1 VAL 127 2HG1 VAL 127 3.855 0.072 8.120 1005 3HG1 VAL 127 3HG1 VAL 127 5.329 -0.179 7.157 1006 1HG2 VAL 127 1HG2 VAL 127 7.439 -0.940 8.352 1007 2HG2 VAL 127 2HG2 VAL 127 7.522 -0.938 10.123 1008 3HG2 VAL 127 3HG2 VAL 127 6.560 -2.155 9.293 1009 H TYR 128 H TYR 128 4.163 2.184 10.923 1010 HA TYR 128 HA TYR 128 2.504 3.385 8.998 1011 1HB TYR 128 1HB TYR 128 1.833 2.932 11.322 1012 2HB TYR 128 2HB TYR 128 2.927 4.180 11.909 1013 HD1 TYR 128 HD1 TYR 128 -0.403 3.486 10.689 1014 HD2 TYR 128 HD2 TYR 128 2.517 6.633 11.148 1015 HE1 TYR 128 HE1 TYR 128 -2.169 5.188 10.332 1016 HE2 TYR 128 HE2 TYR 128 0.792 8.321 10.715 1017 HH TYR 128 HH TYR 128 -1.487 8.711 10.391 1018 H THR 129 H THR 129 5.265 4.840 10.845 1019 HA THR 129 HA THR 129 4.863 7.477 9.833 1020 HB THR 129 HB THR 129 7.455 6.148 10.747 1021 HG1 THR 129 1HG THR 129 5.914 5.884 12.339 1022 1HG2 THR 129 1HG2 THR 129 7.834 8.371 9.753 1023 2HG2 THR 129 2HG2 THR 129 6.561 9.069 10.777 1024 3HG2 THR 129 3HG2 THR 129 8.054 8.435 11.507 1025 H LEU 130 H LEU 130 6.886 4.757 8.608 1026 HA LEU 130 HA LEU 130 7.993 6.240 6.419 1027 1HB LEU 130 1HB LEU 130 9.015 4.281 7.452 1028 2HB LEU 130 2HB LEU 130 7.661 3.264 6.964 1029 HG LEU 130 HG LEU 130 8.267 3.375 4.658 1030 1HD1 LEU 130 1HD1 LEU 130 10.305 4.598 3.859 1031 2HD1 LEU 130 2HD1 LEU 130 9.044 5.702 4.391 1032 3HD1 LEU 130 3HD1 LEU 130 10.436 5.384 5.448 1033 1HD2 LEU 130 1HD2 LEU 130 10.777 3.029 6.362 1034 2HD2 LEU 130 2HD2 LEU 130 9.505 1.820 6.150 1035 3HD2 LEU 130 3HD2 LEU 130 10.492 2.319 4.760 1036 H LEU 131 H LEU 131 5.087 4.180 6.737 1037 HA LEU 131 HA LEU 131 4.305 4.308 3.969 1038 1HB LEU 131 1HB LEU 131 2.706 3.891 6.532 1039 2HB LEU 131 2HB LEU 131 2.006 3.807 4.922 1040 HG LEU 131 HG LEU 131 4.220 1.950 5.899 1041 1HD1 LEU 131 1HD1 LEU 131 1.236 1.468 5.541 1042 2HD1 LEU 131 2HD1 LEU 131 2.441 0.254 6.009 1043 3HD1 LEU 131 3HD1 LEU 131 2.084 1.598 7.104 1044 1HD2 LEU 131 1HD2 LEU 131 4.277 2.182 3.487 1045 2HD2 LEU 131 2HD2 LEU 131 3.611 0.612 3.936 1046 3HD2 LEU 131 3HD2 LEU 131 2.526 1.905 3.388 1047 H GLU 132 H GLU 132 3.694 6.450 6.820 1048 HA GLU 132 HA GLU 132 1.816 8.113 5.476 1049 1HB GLU 132 1HB GLU 132 2.078 8.063 7.918 1050 2HB GLU 132 2HB GLU 132 3.694 8.771 7.785 1051 1HG GLU 132 1HG GLU 132 2.729 10.816 6.783 1052 2HG GLU 132 2HG GLU 132 1.121 10.088 6.829 1053 H ARG 133 H ARG 133 5.418 8.433 5.848 1054 HA ARG 133 HA ARG 133 5.747 10.748 4.248 1055 1HB ARG 133 1HB ARG 133 7.487 8.237 4.409 1056 2HB ARG 133 2HB ARG 133 7.965 9.719 3.581 1057 1HG ARG 133 1HG ARG 133 7.885 10.984 5.659 1058 2HG ARG 133 2HG ARG 133 7.237 9.588 6.524 1059 1HD ARG 133 1HD ARG 133 9.608 9.778 7.023 1060 2HD ARG 133 2HD ARG 133 9.300 8.311 6.100 1061 HE ARG 133 HE ARG 133 10.661 9.037 4.439 1062 1HH1 ARG 133 1HH2 ARG 133 9.872 11.876 6.449 1063 2HH1 ARG 133 2HH2 ARG 133 11.032 12.902 5.692 1064 1HH2 ARG 133 1HH1 ARG 133 12.196 10.393 3.442 1065 2HH2 ARG 133 2HH1 ARG 133 12.378 12.044 3.945 1066 H SER 134 H SER 134 5.642 7.339 3.187 1067 HA SER 134 HA SER 134 6.013 7.835 0.442 1068 1HB SER 134 1HB SER 134 4.516 5.532 1.768 1069 2HB SER 134 2HB SER 134 5.226 5.537 0.147 1070 HG SER 134 HG SER 134 6.541 5.625 2.674 1071 H ALA 135 H ALA 135 2.947 7.438 2.303 1072 HA ALA 135 HA ALA 135 1.207 7.713 0.072 1073 1HB ALA 135 1HB ALA 135 -0.518 8.128 1.791 1074 2HB ALA 135 2HB ALA 135 0.532 6.787 2.296 1075 3HB ALA 135 3HB ALA 135 0.741 8.394 3.015 1076 H ARG 136 H ARG 136 2.522 10.139 2.413 1077 HA ARG 136 HA ARG 136 0.952 12.316 1.384 1078 1HB ARG 136 1HB ARG 136 2.122 12.189 3.628 1079 2HB ARG 136 2HB ARG 136 3.662 12.428 2.794 1080 1HG ARG 136 1HG ARG 136 2.869 14.628 1.961 1081 2HG ARG 136 2HG ARG 136 1.283 14.347 2.716 1082 1HD ARG 136 1HD ARG 136 2.385 14.224 4.942 1083 2HD ARG 136 2HD ARG 136 3.952 14.556 4.175 1084 HE ARG 136 HE ARG 136 2.203 16.607 3.386 1085 1HH1 ARG 136 1HH2 ARG 136 3.654 15.450 6.413 1086 2HH1 ARG 136 2HH2 ARG 136 3.632 16.993 7.182 1087 1HH2 ARG 136 1HH1 ARG 136 2.173 18.668 4.408 1088 2HH2 ARG 136 2HH1 ARG 136 2.771 18.862 6.011 1089 H GLN 137 H GLN 137 4.206 11.002 0.530 1090 HA GLN 137 HA GLN 137 4.751 13.107 -1.317 1091 1HB GLN 137 1HB GLN 137 5.960 10.363 -0.886 1092 2HB GLN 137 2HB GLN 137 6.548 11.517 -2.104 1093 1HG GLN 137 1HG GLN 137 7.034 13.192 -0.480 1094 2HG GLN 137 2HG GLN 137 6.265 12.306 0.825 1095 1HE2 GLN 137 2HE2 GLN 137 9.099 13.342 0.360 1096 2HE2 GLN 137 1HE2 GLN 137 10.098 11.961 0.761 1097 H TRP 138 H TRP 138 3.269 9.818 -1.794 1098 HA TRP 138 HA TRP 138 2.926 10.122 -4.601 1099 1HB TRP 138 1HB TRP 138 1.568 8.497 -2.466 1100 2HB TRP 138 2HB TRP 138 0.756 8.683 -4.013 1101 HD1 TRP 138 HD1 TRP 138 3.613 6.816 -2.427 1102 HE1 TRP 138 HE1 TRP 138 4.762 5.306 -4.122 1103 HE3 TRP 138 HE3 TRP 138 1.292 8.481 -6.679 1104 HZ2 TRP 138 HZ2 TRP 138 4.833 4.988 -7.007 1105 HZ3 TRP 138 HZ3 TRP 138 1.954 7.574 -8.892 1106 HH2 TRP 138 HH2 TRP 138 3.734 5.859 -9.068 1107 H ALA 139 H ALA 139 0.803 11.242 -1.876 1108 HA ALA 139 HA ALA 139 -1.134 12.450 -3.581 1109 1HB ALA 139 1HB ALA 139 -0.277 13.202 -0.749 1110 2HB ALA 139 2HB ALA 139 -1.762 13.722 -1.560 1111 3HB ALA 139 3HB ALA 139 -1.516 12.003 -1.193 1112 H GLN 140 H GLN 140 1.899 13.790 -2.160 1113 HA GLN 140 HA GLN 140 1.638 16.432 -3.060 1114 1HB GLN 140 1HB GLN 140 3.283 15.598 -1.430 1115 2HB GLN 140 2HB GLN 140 4.158 14.744 -2.693 1116 1HG GLN 140 1HG GLN 140 3.805 17.744 -2.864 1117 2HG GLN 140 2HG GLN 140 4.986 17.031 -1.765 1118 1HE2 GLN 140 2HE2 GLN 140 4.184 17.360 -5.257 1119 2HE2 GLN 140 1HE2 GLN 140 5.814 17.011 -5.789 1120 H ALA 141 H ALA 141 2.907 13.530 -4.774 1121 HA ALA 141 HA ALA 141 3.759 14.987 -7.102 1122 1HB ALA 141 1HB ALA 141 3.027 12.043 -6.750 1123 2HB ALA 141 2HB ALA 141 3.890 12.754 -8.128 1124 3HB ALA 141 3HB ALA 141 4.633 12.765 -6.515 1125 H LEU 142 H LEU 142 0.852 12.958 -6.434 1126 HA LEU 142 HA LEU 142 -0.522 13.435 -8.840 1127 1HB LEU 142 1HB LEU 142 -1.465 12.881 -6.005 1128 2HB LEU 142 2HB LEU 142 -2.620 13.094 -7.312 1129 HG LEU 142 HG LEU 142 -0.415 10.986 -7.356 1130 1HD1 LEU 142 1HD1 LEU 142 -3.374 10.689 -6.671 1131 2HD1 LEU 142 2HD1 LEU 142 -2.194 9.371 -6.826 1132 3HD1 LEU 142 3HD1 LEU 142 -2.017 10.557 -5.527 1133 1HD2 LEU 142 1HD2 LEU 142 -1.922 9.998 -9.143 1134 2HD2 LEU 142 2HD2 LEU 142 -2.848 11.505 -9.121 1135 3HD2 LEU 142 3HD2 LEU 142 -1.141 11.504 -9.616 1136 H ASN 143 H ASN 143 -0.552 15.431 -5.868 1137 HA ASN 143 HA ASN 143 -2.472 17.317 -6.663 1138 1HB ASN 143 1HB ASN 143 -1.586 17.094 -4.373 1139 2HB ASN 143 2HB ASN 143 -0.009 17.676 -4.910 1140 1HD2 ASN 143 2HD2 ASN 143 0.332 19.857 -4.495 1141 2HD2 ASN 143 1HD2 ASN 143 -0.930 21.053 -4.385 1142 H ALA 144 H ALA 144 0.762 16.906 -7.922 1143 HA ALA 144 HA ALA 144 0.478 19.435 -9.433 1144 1HB ALA 144 1HB ALA 144 2.251 19.649 -7.696 1145 2HB ALA 144 2HB ALA 144 3.068 18.218 -8.373 1146 3HB ALA 144 3HB ALA 144 2.923 19.709 -9.335 1147 H GLU 145 H GLU 145 -0.404 16.736 -9.963 1148 HA GLU 145 HA GLU 145 0.530 16.668 -12.732 1149 1HB GLU 145 1HB GLU 145 1.702 14.883 -11.211 1150 2HB GLU 145 2HB GLU 145 0.130 14.068 -11.180 1151 1HG GLU 145 1HG GLU 145 0.175 13.955 -13.658 1152 2HG GLU 145 2HG GLU 145 1.661 14.901 -13.681 1153 H GLN 146 H GLN 146 -1.662 17.847 -11.338 1154 HA GLN 146 HA GLN 146 -4.085 16.398 -12.013 1155 1HB GLN 146 1HB GLN 146 -3.514 19.324 -11.310 1156 2HB GLN 146 2HB GLN 146 -5.133 18.668 -11.576 1157 1HG GLN 146 1HG GLN 146 -3.203 17.827 -9.367 1158 2HG GLN 146 2HG GLN 146 -4.605 18.863 -9.176 1159 1HE2 GLN 146 2HE2 GLN 146 -3.505 15.594 -9.170 1160 2HE2 GLN 146 1HE2 GLN 146 -5.080 14.825 -9.070 1161 H VAL 147 H VAL 147 -5.441 16.912 -13.730 1162 HA VAL 147 HA VAL 147 -4.355 18.244 -16.111 1163 HB VAL 147 HB VAL 147 -4.886 16.052 -17.357 1164 1HG1 VAL 147 1HG1 VAL 147 -2.443 15.998 -15.535 1165 2HG1 VAL 147 2HG1 VAL 147 -2.637 15.179 -17.093 1166 3HG1 VAL 147 3HG1 VAL 147 -2.582 16.947 -17.033 1167 1HG2 VAL 147 1HG2 VAL 147 -4.585 13.939 -16.148 1168 2HG2 VAL 147 2HG2 VAL 147 -4.431 14.790 -14.597 1169 3HG2 VAL 147 3HG2 VAL 147 -5.975 14.809 -15.482 Start of MODEL 4 1 H MET 1 H MET 1 -6.388 10.365 -15.283 2 HA MET 1 HA MET 1 -4.495 11.072 -13.152 3 1HB MET 1 1HB MET 1 -6.476 12.640 -13.516 4 2HB MET 1 2HB MET 1 -7.536 11.316 -13.050 5 1HG MET 1 1HG MET 1 -5.311 12.498 -11.326 6 2HG MET 1 2HG MET 1 -7.001 12.976 -11.270 7 1HE MET 1 1HE MET 1 -5.722 12.455 -8.638 8 2HE MET 1 2HE MET 1 -7.479 12.668 -8.795 9 3HE MET 1 3HE MET 1 -6.832 11.323 -7.832 10 H PHE 2 H PHE 2 -3.889 9.248 -12.021 11 HA PHE 2 HA PHE 2 -5.252 6.728 -12.560 12 1HB PHE 2 1HB PHE 2 -3.414 5.763 -11.210 13 2HB PHE 2 2HB PHE 2 -2.941 6.582 -12.678 14 HD1 PHE 2 HD1 PHE 2 -1.745 8.790 -12.615 15 HD2 PHE 2 HD2 PHE 2 -2.537 6.494 -9.052 16 HE1 PHE 2 HE1 PHE 2 -0.049 10.110 -11.382 17 HE2 PHE 2 HE2 PHE 2 -0.810 7.787 -7.836 18 HZ PHE 2 HZ PHE 2 0.425 9.616 -8.991 19 H ASN 3 H ASN 3 -7.258 7.717 -11.580 20 HA ASN 3 HA ASN 3 -7.453 8.258 -8.828 21 1HB ASN 3 1HB ASN 3 -9.125 8.946 -10.532 22 2HB ASN 3 2HB ASN 3 -9.630 7.263 -10.710 23 1HD2 ASN 3 2HD2 ASN 3 -9.466 9.992 -8.348 24 2HD2 ASN 3 1HD2 ASN 3 -10.768 9.395 -7.335 25 H ASN 4 H ASN 4 -7.248 5.141 -10.385 26 HA ASN 4 HA ASN 4 -8.403 3.744 -8.003 27 1HB ASN 4 1HB ASN 4 -8.229 3.007 -10.954 28 2HB ASN 4 2HB ASN 4 -8.178 1.780 -9.708 29 1HD2 ASN 4 2HD2 ASN 4 -10.108 0.760 -10.438 30 2HD2 ASN 4 1HD2 ASN 4 -11.648 1.503 -10.092 31 H ILE 5 H ILE 5 -6.829 2.811 -6.725 32 HA ILE 5 HA ILE 5 -4.173 2.206 -7.922 33 HB ILE 5 HB ILE 5 -4.612 3.695 -5.320 34 1HG1 ILE 5 1HG1 ILE 5 -3.712 4.815 -8.003 35 2HG1 ILE 5 2HG1 ILE 5 -5.231 5.167 -7.175 36 1HG2 ILE 5 1HG2 ILE 5 -2.172 4.077 -5.299 37 2HG2 ILE 5 2HG2 ILE 5 -2.527 2.375 -5.290 38 3HG2 ILE 5 3HG2 ILE 5 -2.011 3.146 -6.806 39 1HD1 ILE 5 1HD1 ILE 5 -2.489 6.080 -6.321 40 2HD1 ILE 5 2HD1 ILE 5 -3.902 7.037 -6.799 41 3HD1 ILE 5 3HD1 ILE 5 -3.931 6.135 -5.271 42 H LEU 6 H LEU 6 -3.024 0.514 -6.790 43 HA LEU 6 HA LEU 6 -4.604 -0.958 -4.721 44 1HB LEU 6 1HB LEU 6 -4.880 -1.746 -7.128 45 2HB LEU 6 2HB LEU 6 -3.196 -2.204 -7.109 46 HG LEU 6 HG LEU 6 -4.880 -4.026 -6.830 47 1HD1 LEU 6 1HD1 LEU 6 -2.538 -4.337 -6.144 48 2HD1 LEU 6 2HD1 LEU 6 -2.958 -3.829 -4.491 49 3HD1 LEU 6 3HD1 LEU 6 -3.679 -5.287 -5.182 50 1HD2 LEU 6 1HD2 LEU 6 -6.414 -2.757 -5.273 51 2HD2 LEU 6 2HD2 LEU 6 -6.049 -4.424 -4.795 52 3HD2 LEU 6 3HD2 LEU 6 -5.244 -3.079 -3.976 53 H VAL 7 H VAL 7 -3.316 -1.424 -2.966 54 HA VAL 7 HA VAL 7 -0.358 -1.374 -3.350 55 HB VAL 7 HB VAL 7 -0.354 -0.986 -0.822 56 1HG1 VAL 7 1HG1 VAL 7 -0.627 1.477 -1.119 57 2HG1 VAL 7 2HG1 VAL 7 0.384 0.710 -2.341 58 3HG1 VAL 7 3HG1 VAL 7 -1.286 1.180 -2.744 59 1HG2 VAL 7 1HG2 VAL 7 -2.208 0.137 0.191 60 2HG2 VAL 7 2HG2 VAL 7 -3.140 0.138 -1.310 61 3HG2 VAL 7 3HG2 VAL 7 -2.824 -1.387 -0.458 62 H VAL 8 H VAL 8 0.881 -3.096 -2.660 63 HA VAL 8 HA VAL 8 -0.661 -5.483 -1.734 64 HB VAL 8 HB VAL 8 1.666 -5.420 -3.674 65 1HG1 VAL 8 1HG1 VAL 8 1.029 -7.733 -4.183 66 2HG1 VAL 8 2HG1 VAL 8 1.411 -7.587 -2.476 67 3HG1 VAL 8 3HG1 VAL 8 -0.291 -7.659 -3.005 68 1HG2 VAL 8 1HG2 VAL 8 -1.305 -5.696 -4.244 69 2HG2 VAL 8 2HG2 VAL 8 -0.248 -4.366 -4.782 70 3HG2 VAL 8 3HG2 VAL 8 -0.019 -5.986 -5.432 71 H CYS 9 H CYS 9 0.174 -6.747 -0.198 72 HA CYS 9 HA CYS 9 2.963 -6.332 0.757 73 1HB CYS 9 1HB CYS 9 1.331 -5.119 2.244 74 2HB CYS 9 2HB CYS 9 0.492 -6.645 2.525 75 HG CYS 9 HG CYS 9 1.807 -6.286 4.662 76 H VAL 10 H VAL 10 3.285 -8.508 2.437 77 HA VAL 10 HA VAL 10 2.778 -10.792 0.667 78 HB VAL 10 HB VAL 10 3.865 -10.753 3.515 79 1HG1 VAL 10 1HG1 VAL 10 4.771 -12.982 2.925 80 2HG1 VAL 10 2HG1 VAL 10 3.009 -12.976 2.821 81 3HG1 VAL 10 3HG1 VAL 10 3.981 -12.895 1.336 82 1HG2 VAL 10 1HG2 VAL 10 6.093 -11.036 2.430 83 2HG2 VAL 10 2HG2 VAL 10 5.338 -10.741 0.847 84 3HG2 VAL 10 3HG2 VAL 10 5.370 -9.467 2.086 85 H GLY 11 H GLY 11 1.768 -9.911 4.058 86 1HA GLY 11 1HA GLY 11 -0.353 -11.938 3.885 87 2HA GLY 11 2HA GLY 11 0.207 -11.075 5.316 88 H ASN 12 H ASN 12 -0.233 -8.563 3.354 89 HA ASN 12 HA ASN 12 -1.771 -6.984 2.953 90 1HB ASN 12 1HB ASN 12 -2.910 -8.771 1.712 91 2HB ASN 12 2HB ASN 12 -3.841 -9.172 3.143 92 1HD2 ASN 12 2HD2 ASN 12 -4.003 -5.837 3.381 93 2HD2 ASN 12 1HD2 ASN 12 -5.491 -5.679 2.474 94 H ILE 13 H ILE 13 -2.667 -8.952 5.858 95 HA ILE 13 HA ILE 13 -4.587 -7.212 6.773 96 HB ILE 13 HB ILE 13 -4.412 -8.284 8.930 97 1HG1 ILE 13 1HG1 ILE 13 -1.842 -9.634 7.988 98 2HG1 ILE 13 2HG1 ILE 13 -1.886 -8.259 9.093 99 1HG2 ILE 13 1HG2 ILE 13 -3.914 -10.319 6.726 100 2HG2 ILE 13 2HG2 ILE 13 -4.859 -10.534 8.212 101 3HG2 ILE 13 3HG2 ILE 13 -5.438 -9.439 6.963 102 1HD1 ILE 13 1HD1 ILE 13 -1.690 -10.248 10.417 103 2HD1 ILE 13 2HD1 ILE 13 -3.320 -9.598 10.663 104 3HD1 ILE 13 3HD1 ILE 13 -3.075 -11.009 9.616 105 H CYS 14 H CYS 14 -1.596 -5.797 6.481 106 HA CYS 14 HA CYS 14 -2.206 -3.948 8.716 107 1HB CYS 14 1HB CYS 14 0.198 -4.167 9.538 108 2HB CYS 14 2HB CYS 14 -0.921 -5.479 9.938 109 HG CYS 14 HG CYS 14 1.431 -6.490 9.486 110 H ARG 15 H ARG 15 0.530 -4.603 6.413 111 HA ARG 15 HA ARG 15 1.277 -1.843 6.564 112 1HB ARG 15 1HB ARG 15 2.750 -3.859 6.240 113 2HB ARG 15 2HB ARG 15 2.158 -3.970 4.577 114 1HG ARG 15 1HG ARG 15 3.178 -1.843 4.014 115 2HG ARG 15 2HG ARG 15 3.535 -1.511 5.706 116 1HD ARG 15 1HD ARG 15 5.538 -2.236 4.416 117 2HD ARG 15 2HD ARG 15 5.195 -3.194 5.853 118 HE ARG 15 HE ARG 15 3.961 -4.616 3.833 119 1HH1 ARG 15 1HH1 ARG 15 7.331 -3.618 4.561 120 2HH1 ARG 15 2HH1 ARG 15 7.986 -4.936 3.606 121 1HH2 ARG 15 1HH2 ARG 15 5.017 -6.374 2.649 122 2HH2 ARG 15 2HH2 ARG 15 6.763 -6.393 2.584 123 H SER 16 H SER 16 -0.200 -3.711 3.802 124 HA SER 16 HA SER 16 -0.383 -1.391 2.150 125 1HB SER 16 1HB SER 16 -2.208 -2.979 1.048 126 2HB SER 16 2HB SER 16 -0.477 -3.155 0.824 127 HG SER 16 HG SER 16 -1.533 -5.135 1.351 128 HA PRO 17 HA PRO 17 -4.970 -0.976 3.833 129 1HB PRO 17 1HB PRO 17 -4.294 -1.891 6.642 130 2HB PRO 17 2HB PRO 17 -5.889 -1.853 5.822 131 1HG PRO 17 1HG PRO 17 -4.486 -4.159 5.956 132 2HG PRO 17 2HG PRO 17 -5.279 -3.687 4.419 133 1HD PRO 17 1HD PRO 17 -2.380 -3.490 5.128 134 2HD PRO 17 2HD PRO 17 -3.164 -3.906 3.575 135 H THR 18 H THR 18 -2.016 -0.493 5.837 136 HA THR 18 HA THR 18 -2.932 1.969 7.027 137 HB THR 18 HB THR 18 -0.117 0.875 6.618 138 HG1 THR 18 1HG THR 18 -1.264 -0.527 7.875 139 1HG2 THR 18 1HG2 THR 18 0.426 2.322 8.588 140 2HG2 THR 18 2HG2 THR 18 -0.013 3.257 7.154 141 3HG2 THR 18 3HG2 THR 18 -1.196 3.050 8.462 142 H ALA 19 H ALA 19 -0.915 1.182 4.103 143 HA ALA 19 HA ALA 19 -0.541 3.905 3.293 144 1HB ALA 19 1HB ALA 19 0.822 2.155 2.310 145 2HB ALA 19 2HB ALA 19 -0.609 1.309 1.685 146 3HB ALA 19 3HB ALA 19 -0.176 2.891 1.033 147 H GLU 20 H GLU 20 -3.029 1.451 2.431 148 HA GLU 20 HA GLU 20 -4.453 2.946 0.546 149 1HB GLU 20 1HB GLU 20 -4.779 0.611 0.850 150 2HB GLU 20 2HB GLU 20 -5.252 0.788 2.531 151 1HG GLU 20 1HG GLU 20 -6.970 2.180 0.513 152 2HG GLU 20 2HG GLU 20 -6.963 0.422 0.473 153 H ARG 21 H ARG 21 -5.127 2.698 4.096 154 HA ARG 21 HA ARG 21 -7.189 4.663 3.975 155 1HB ARG 21 1HB ARG 21 -5.499 3.505 6.222 156 2HB ARG 21 2HB ARG 21 -6.684 4.761 6.517 157 1HG ARG 21 1HG ARG 21 -7.365 2.075 5.245 158 2HG ARG 21 2HG ARG 21 -7.561 2.485 6.945 159 1HD ARG 21 1HD ARG 21 -9.010 4.471 6.149 160 2HD ARG 21 2HD ARG 21 -9.102 3.650 4.595 161 HE ARG 21 HE ARG 21 -10.170 2.787 7.230 162 1HH1 ARG 21 1HH2 ARG 21 -9.619 1.772 3.842 163 2HH1 ARG 21 2HH2 ARG 21 -10.938 0.654 3.844 164 1HH2 ARG 21 1HH1 ARG 21 -11.919 1.330 7.192 165 2HH2 ARG 21 2HH1 ARG 21 -12.248 0.365 5.800 166 H LEU 22 H LEU 22 -3.650 5.034 4.527 167 HA LEU 22 HA LEU 22 -3.761 7.796 5.255 168 1HB LEU 22 1HB LEU 22 -1.675 6.053 3.918 169 2HB LEU 22 2HB LEU 22 -1.425 7.783 4.071 170 HG LEU 22 HG LEU 22 -2.078 6.115 6.521 171 1HD1 LEU 22 1HD1 LEU 22 0.640 6.638 5.250 172 2HD1 LEU 22 2HD1 LEU 22 0.403 6.034 6.910 173 3HD1 LEU 22 3HD1 LEU 22 -0.124 5.071 5.523 174 1HD2 LEU 22 1HD2 LEU 22 -0.874 7.963 7.661 175 2HD2 LEU 22 2HD2 LEU 22 -0.633 8.780 6.105 176 3HD2 LEU 22 3HD2 LEU 22 -2.269 8.569 6.761 177 H LEU 23 H LEU 23 -3.536 6.223 1.990 178 HA LEU 23 HA LEU 23 -3.541 8.724 0.593 179 1HB LEU 23 1HB LEU 23 -4.093 5.853 -0.180 180 2HB LEU 23 2HB LEU 23 -4.682 7.122 -1.217 181 HG LEU 23 HG LEU 23 -2.668 6.427 -2.153 182 1HD1 LEU 23 1HD1 LEU 23 -1.867 8.998 -0.746 183 2HD1 LEU 23 2HD1 LEU 23 -1.389 8.409 -2.339 184 3HD1 LEU 23 3HD1 LEU 23 -3.056 8.923 -2.071 185 1HD2 LEU 23 1HD2 LEU 23 -1.608 5.275 -0.324 186 2HD2 LEU 23 2HD2 LEU 23 -0.490 6.483 -0.979 187 3HD2 LEU 23 3HD2 LEU 23 -1.354 6.792 0.548 188 H GLN 24 H GLN 24 -6.267 6.615 1.671 189 HA GLN 24 HA GLN 24 -8.291 8.195 0.412 190 1HB GLN 24 1HB GLN 24 -8.422 6.475 2.931 191 2HB GLN 24 2HB GLN 24 -9.812 7.188 2.126 192 1HG GLN 24 1HG GLN 24 -7.978 5.046 0.983 193 2HG GLN 24 2HG GLN 24 -9.638 4.855 1.517 194 1HE2 GLN 24 2HE2 GLN 24 -11.272 6.385 0.289 195 2HE2 GLN 24 1HE2 GLN 24 -10.955 6.593 -1.439 196 H ARG 25 H ARG 25 -6.629 8.529 3.590 197 HA ARG 25 HA ARG 25 -8.253 10.614 4.586 198 1HB ARG 25 1HB ARG 25 -6.465 9.209 5.787 199 2HB ARG 25 2HB ARG 25 -5.262 10.306 5.097 200 1HG ARG 25 1HG ARG 25 -6.463 12.223 6.244 201 2HG ARG 25 2HG ARG 25 -7.541 11.015 6.981 202 1HD ARG 25 1HD ARG 25 -5.371 9.866 7.804 203 2HD ARG 25 2HD ARG 25 -4.544 11.372 7.383 204 HE ARG 25 HE ARG 25 -6.587 12.276 8.923 205 1HH1 ARG 25 1HH2 ARG 25 -4.113 9.769 9.521 206 2HH1 ARG 25 2HH2 ARG 25 -4.343 9.821 11.250 207 1HH2 ARG 25 1HH1 ARG 25 -6.766 12.325 11.253 208 2HH2 ARG 25 2HH1 ARG 25 -5.776 11.247 12.196 209 H TYR 26 H TYR 26 -5.174 10.766 2.688 210 HA TYR 26 HA TYR 26 -5.175 13.602 2.519 211 1HB TYR 26 1HB TYR 26 -3.867 11.540 0.704 212 2HB TYR 26 2HB TYR 26 -3.552 13.270 0.652 213 HD1 TYR 26 HD1 TYR 26 -2.115 10.349 1.758 214 HD2 TYR 26 HD2 TYR 26 -3.134 14.280 3.226 215 HE1 TYR 26 HE1 TYR 26 -0.466 10.101 3.597 216 HE2 TYR 26 HE2 TYR 26 -1.502 14.029 5.056 217 HH TYR 26 HH TYR 26 0.016 12.605 6.100 218 H HIS 27 H HIS 27 -6.669 11.157 0.375 219 HA HIS 27 HA HIS 27 -8.048 13.355 -1.093 220 1HB HIS 27 1HB HIS 27 -6.530 11.008 -2.275 221 2HB HIS 27 2HB HIS 27 -7.663 12.024 -3.173 222 HD1 HIS 27 HD1 HIS 27 -6.875 14.837 -3.016 223 HD2 HIS 27 HD2 HIS 27 -4.051 11.726 -2.664 224 HE1 HIS 27 HE1 HIS 27 -4.612 15.841 -3.602 225 HA PRO 28 HA PRO 28 -11.160 10.283 0.410 226 1HB PRO 28 1HB PRO 28 -12.807 12.767 -0.092 227 2HB PRO 28 2HB PRO 28 -12.963 11.559 1.222 228 1HG PRO 28 1HG PRO 28 -11.758 13.937 1.701 229 2HG PRO 28 2HG PRO 28 -11.035 12.426 2.342 230 1HD PRO 28 1HD PRO 28 -10.239 13.986 -0.127 231 2HD PRO 28 2HD PRO 28 -9.203 13.256 1.138 232 H GLU 29 H GLU 29 -10.936 12.319 -2.479 233 HA GLU 29 HA GLU 29 -13.132 11.059 -3.916 234 1HB GLU 29 1HB GLU 29 -10.783 12.743 -4.903 235 2HB GLU 29 2HB GLU 29 -12.228 12.351 -5.833 236 1HG GLU 29 1HG GLU 29 -12.121 14.068 -3.319 237 2HG GLU 29 2HG GLU 29 -12.296 14.637 -4.970 238 H LEU 30 H LEU 30 -10.056 9.915 -3.059 239 HA LEU 30 HA LEU 30 -9.377 8.688 -5.628 240 1HB LEU 30 1HB LEU 30 -7.844 9.836 -3.866 241 2HB LEU 30 2HB LEU 30 -8.000 8.340 -2.947 242 HG LEU 30 HG LEU 30 -6.928 7.130 -4.878 243 1HD1 LEU 30 1HD1 LEU 30 -5.816 8.489 -6.642 244 2HD1 LEU 30 2HD1 LEU 30 -7.566 8.690 -6.718 245 3HD1 LEU 30 3HD1 LEU 30 -6.572 9.961 -5.990 246 1HD2 LEU 30 1HD2 LEU 30 -5.412 9.579 -3.840 247 2HD2 LEU 30 2HD2 LEU 30 -5.639 8.072 -2.951 248 3HD2 LEU 30 3HD2 LEU 30 -4.680 8.082 -4.440 249 H LYS 31 H LYS 31 -8.932 6.359 -5.779 250 HA LYS 31 HA LYS 31 -10.585 4.707 -3.909 251 1HB LYS 31 1HB LYS 31 -11.671 5.162 -6.117 252 2HB LYS 31 2HB LYS 31 -10.267 4.495 -6.928 253 1HG LYS 31 1HG LYS 31 -12.120 2.889 -6.870 254 2HG LYS 31 2HG LYS 31 -10.716 2.266 -6.021 255 1HD LYS 31 1HD LYS 31 -12.783 1.716 -4.849 256 2HD LYS 31 2HD LYS 31 -11.764 2.748 -3.844 257 1HE LYS 31 1HE LYS 31 -13.139 4.725 -4.469 258 2HE LYS 31 2HE LYS 31 -14.119 3.714 -5.538 259 1HZ LYS 31 1HZ LYS 31 -14.855 2.473 -3.589 260 2HZ LYS 31 2HZ LYS 31 -13.947 3.401 -2.594 261 3HZ LYS 31 3HZ LYS 31 -15.197 4.053 -3.410 262 H VAL 32 H VAL 32 -8.597 4.427 -2.725 263 HA VAL 32 HA VAL 32 -6.620 2.687 -4.072 264 HB VAL 32 HB VAL 32 -6.384 3.904 -1.304 265 1HG1 VAL 32 1HG1 VAL 32 -3.960 3.426 -1.677 266 2HG1 VAL 32 2HG1 VAL 32 -4.933 1.951 -1.683 267 3HG1 VAL 32 3HG1 VAL 32 -4.358 2.635 -3.214 268 1HG2 VAL 32 1HG2 VAL 32 -5.741 5.027 -4.043 269 2HG2 VAL 32 2HG2 VAL 32 -6.381 5.832 -2.609 270 3HG2 VAL 32 3HG2 VAL 32 -4.667 5.389 -2.695 271 H GLU 33 H GLU 33 -6.355 0.581 -3.435 272 HA GLU 33 HA GLU 33 -8.016 -0.486 -1.215 273 1HB GLU 33 1HB GLU 33 -9.314 -0.658 -3.315 274 2HB GLU 33 2HB GLU 33 -7.972 -1.489 -4.093 275 1HG GLU 33 1HG GLU 33 -9.788 -3.010 -3.429 276 2HG GLU 33 2HG GLU 33 -8.279 -3.435 -2.657 277 H SER 34 H SER 34 -7.232 -2.841 -0.772 278 HA SER 34 HA SER 34 -4.307 -3.052 -1.313 279 1HB SER 34 1HB SER 34 -5.705 -3.956 1.203 280 2HB SER 34 2HB SER 34 -3.989 -3.993 0.884 281 HG SER 34 HG SER 34 -5.554 -1.613 0.970 282 H ALA 35 H ALA 35 -3.410 -5.145 -1.304 283 HA ALA 35 HA ALA 35 -5.145 -7.490 -1.103 284 1HB ALA 35 1HB ALA 35 -3.473 -7.027 -3.610 285 2HB ALA 35 2HB ALA 35 -4.506 -8.426 -3.247 286 3HB ALA 35 3HB ALA 35 -5.247 -6.850 -3.547 287 H GLY 36 H GLY 36 -3.433 -9.507 -1.472 288 1HA GLY 36 1HA GLY 36 -0.688 -8.663 -1.039 289 2HA GLY 36 2HA GLY 36 -1.360 -9.615 0.282 290 H LEU 37 H LEU 37 0.918 -10.333 -1.106 291 HA LEU 37 HA LEU 37 0.512 -12.004 -3.392 292 1HB LEU 37 1HB LEU 37 2.722 -12.150 -1.300 293 2HB LEU 37 2HB LEU 37 2.765 -12.851 -2.910 294 HG LEU 37 HG LEU 37 2.722 -9.873 -2.261 295 1HD1 LEU 37 1HD1 LEU 37 4.855 -10.982 -1.736 296 2HD1 LEU 37 2HD1 LEU 37 4.927 -11.652 -3.382 297 3HD1 LEU 37 3HD1 LEU 37 5.020 -9.895 -3.120 298 1HD2 LEU 37 1HD2 LEU 37 3.199 -9.550 -4.691 299 2HD2 LEU 37 2HD2 LEU 37 2.881 -11.278 -4.964 300 3HD2 LEU 37 3HD2 LEU 37 1.590 -10.199 -4.386 301 H GLY 38 H GLY 38 0.432 -12.650 0.095 302 1HA GLY 38 1HA GLY 38 -0.766 -15.332 -0.391 303 2HA GLY 38 2HA GLY 38 0.645 -15.181 0.689 304 H ALA 39 H ALA 39 -2.329 -13.304 -0.021 305 HA ALA 39 HA ALA 39 -2.368 -12.066 2.563 306 1HB ALA 39 1HB ALA 39 -3.305 -11.089 0.436 307 2HB ALA 39 2HB ALA 39 -4.606 -12.305 0.539 308 3HB ALA 39 3HB ALA 39 -4.454 -11.058 1.782 309 H LEU 40 H LEU 40 -4.385 -12.001 3.873 310 HA LEU 40 HA LEU 40 -5.352 -14.765 4.486 311 1HB LEU 40 1HB LEU 40 -4.902 -12.337 6.246 312 2HB LEU 40 2HB LEU 40 -5.566 -13.871 6.799 313 HG LEU 40 HG LEU 40 -2.758 -13.504 5.651 314 1HD1 LEU 40 1HD1 LEU 40 -2.976 -12.389 7.795 315 2HD1 LEU 40 2HD1 LEU 40 -3.682 -13.847 8.531 316 3HD1 LEU 40 3HD1 LEU 40 -1.993 -13.846 7.970 317 1HD2 LEU 40 1HD2 LEU 40 -4.052 -15.929 6.983 318 2HD2 LEU 40 2HD2 LEU 40 -3.559 -15.799 5.276 319 3HD2 LEU 40 3HD2 LEU 40 -2.338 -15.780 6.544 320 H VAL 41 H VAL 41 -6.912 -14.412 2.794 321 HA VAL 41 HA VAL 41 -8.604 -12.354 2.410 322 HB VAL 41 HB VAL 41 -9.534 -15.240 2.257 323 1HG1 VAL 41 1HG1 VAL 41 -10.795 -14.427 0.290 324 2HG1 VAL 41 2HG1 VAL 41 -11.261 -13.543 1.744 325 3HG1 VAL 41 3HG1 VAL 41 -10.181 -12.782 0.558 326 1HG2 VAL 41 1HG2 VAL 41 -7.359 -15.252 1.194 327 2HG2 VAL 41 2HG2 VAL 41 -8.581 -15.235 -0.067 328 3HG2 VAL 41 3HG2 VAL 41 -7.710 -13.741 0.329 329 H GLY 42 H GLY 42 -10.028 -11.227 3.587 330 1HA GLY 42 1HA GLY 42 -11.779 -10.747 4.939 331 2HA GLY 42 2HA GLY 42 -12.147 -12.471 4.989 332 H LYS 43 H LYS 43 -8.961 -11.897 6.297 333 HA LYS 43 HA LYS 43 -9.971 -12.618 8.925 334 1HB LYS 43 1HB LYS 43 -7.250 -12.229 7.697 335 2HB LYS 43 2HB LYS 43 -7.364 -12.081 9.436 336 1HG LYS 43 1HG LYS 43 -6.813 -14.372 8.818 337 2HG LYS 43 2HG LYS 43 -8.347 -14.274 9.689 338 1HD LYS 43 1HD LYS 43 -9.578 -14.397 7.539 339 2HD LYS 43 2HD LYS 43 -8.056 -14.535 6.668 340 1HE LYS 43 1HE LYS 43 -9.150 -16.485 8.763 341 2HE LYS 43 2HE LYS 43 -9.271 -16.708 7.019 342 1HZ LYS 43 1HZ LYS 43 -6.733 -16.651 8.548 343 2HZ LYS 43 2HZ LYS 43 -7.453 -17.973 7.938 344 3HZ LYS 43 3HZ LYS 43 -6.855 -16.858 6.920 345 H GLY 44 H GLY 44 -9.899 -9.541 7.533 346 1HA GLY 44 1HA GLY 44 -10.234 -7.490 8.526 347 2HA GLY 44 2HA GLY 44 -10.079 -8.220 10.126 348 H ALA 45 H ALA 45 -8.843 -5.929 9.871 349 HA ALA 45 HA ALA 45 -6.055 -6.206 9.035 350 1HB ALA 45 1HB ALA 45 -7.109 -4.016 8.812 351 2HB ALA 45 2HB ALA 45 -7.495 -3.986 10.544 352 3HB ALA 45 3HB ALA 45 -5.804 -3.934 10.008 353 H ASP 46 H ASP 46 -4.274 -5.981 10.552 354 HA ASP 46 HA ASP 46 -4.504 -7.748 12.803 355 1HB ASP 46 1HB ASP 46 -2.454 -7.479 11.415 356 2HB ASP 46 2HB ASP 46 -2.243 -5.853 12.062 357 HA PRO 47 HA PRO 47 -5.950 -4.727 15.814 358 1HB PRO 47 1HB PRO 47 -4.286 -6.402 17.701 359 2HB PRO 47 2HB PRO 47 -5.934 -5.738 17.940 360 1HG PRO 47 1HG PRO 47 -5.607 -8.332 17.233 361 2HG PRO 47 2HG PRO 47 -6.875 -7.343 16.436 362 1HD PRO 47 1HD PRO 47 -4.141 -8.093 15.389 363 2HD PRO 47 2HD PRO 47 -5.717 -8.042 14.538 364 H THR 48 H THR 48 -2.461 -5.458 15.487 365 HA THR 48 HA THR 48 -1.648 -3.278 17.251 366 HB THR 48 HB THR 48 0.163 -4.503 15.178 367 HG1 THR 48 1HG THR 48 -0.813 -6.262 15.818 368 1HG2 THR 48 1HG2 THR 48 1.090 -2.850 16.714 369 2HG2 THR 48 2HG2 THR 48 0.525 -3.781 18.121 370 3HG2 THR 48 3HG2 THR 48 1.790 -4.440 17.058 371 H ALA 49 H ALA 49 -2.070 -3.870 13.734 372 HA ALA 49 HA ALA 49 -1.023 -1.339 12.864 373 1HB ALA 49 1HB ALA 49 -3.080 -3.183 11.555 374 2HB ALA 49 2HB ALA 49 -2.123 -1.913 10.752 375 3HB ALA 49 3HB ALA 49 -1.323 -3.351 11.412 376 H ILE 50 H ILE 50 -4.329 -2.539 13.663 377 HA ILE 50 HA ILE 50 -5.705 -0.101 13.170 378 HB ILE 50 HB ILE 50 -6.279 -2.301 15.184 379 1HG1 ILE 50 1HG1 ILE 50 -7.563 -1.870 12.445 380 2HG1 ILE 50 2HG1 ILE 50 -6.208 -2.959 12.694 381 1HG2 ILE 50 1HG2 ILE 50 -8.168 -0.143 14.121 382 2HG2 ILE 50 2HG2 ILE 50 -8.626 -1.474 15.204 383 3HG2 ILE 50 3HG2 ILE 50 -7.529 -0.237 15.774 384 1HD1 ILE 50 1HD1 ILE 50 -7.559 -4.289 14.311 385 2HD1 ILE 50 2HD1 ILE 50 -8.962 -3.257 13.957 386 3HD1 ILE 50 3HD1 ILE 50 -8.252 -4.247 12.685 387 H SER 51 H SER 51 -4.122 -1.319 16.206 388 HA SER 51 HA SER 51 -4.898 0.911 17.775 389 1HB SER 51 1HB SER 51 -2.494 -0.932 18.117 390 2HB SER 51 2HB SER 51 -3.196 0.122 19.360 391 HG SER 51 HG SER 51 -4.348 -2.138 18.088 392 H VAL 52 H VAL 52 -1.860 0.371 15.870 393 HA VAL 52 HA VAL 52 -0.705 2.886 16.654 394 HB VAL 52 HB VAL 52 -0.210 0.954 14.362 395 1HG1 VAL 52 1HG1 VAL 52 0.476 3.185 13.543 396 2HG1 VAL 52 2HG1 VAL 52 1.429 3.441 15.020 397 3HG1 VAL 52 3HG1 VAL 52 1.864 2.155 13.866 398 1HG2 VAL 52 1HG2 VAL 52 0.440 0.195 16.631 399 2HG2 VAL 52 2HG2 VAL 52 1.889 0.552 15.684 400 3HG2 VAL 52 3HG2 VAL 52 1.334 1.706 16.897 401 H ALA 53 H ALA 53 -2.923 1.963 13.929 402 HA ALA 53 HA ALA 53 -2.823 4.558 12.723 403 1HB ALA 53 1HB ALA 53 -5.064 2.497 12.705 404 2HB ALA 53 2HB ALA 53 -4.875 3.856 11.584 405 3HB ALA 53 3HB ALA 53 -3.683 2.546 11.580 406 H ALA 54 H ALA 54 -4.878 3.181 15.344 407 HA ALA 54 HA ALA 54 -6.573 5.437 15.607 408 1HB ALA 54 1HB ALA 54 -7.142 4.472 17.797 409 2HB ALA 54 2HB ALA 54 -7.078 3.206 16.555 410 3HB ALA 54 3HB ALA 54 -5.739 3.391 17.713 411 H GLU 55 H GLU 55 -3.302 4.786 16.952 412 HA GLU 55 HA GLU 55 -3.194 6.970 18.735 413 1HB GLU 55 1HB GLU 55 -1.535 5.044 18.367 414 2HB GLU 55 2HB GLU 55 -0.861 6.006 17.042 415 1HG GLU 55 1HG GLU 55 -0.408 7.862 18.639 416 2HG GLU 55 2HG GLU 55 -1.066 6.880 19.952 417 H HIS 56 H HIS 56 -3.222 6.933 15.241 418 HA HIS 56 HA HIS 56 -2.734 9.872 15.123 419 1HB HIS 56 1HB HIS 56 -2.435 7.757 12.958 420 2HB HIS 56 2HB HIS 56 -2.116 9.484 12.773 421 HD1 HIS 56 HD1 HIS 56 -0.001 10.411 14.482 422 HD2 HIS 56 HD2 HIS 56 -0.400 6.295 13.699 423 HE1 HIS 56 HE1 HIS 56 2.216 9.342 15.125 424 H GLN 57 H GLN 57 -5.228 8.072 15.693 425 HA GLN 57 HA GLN 57 -7.401 7.916 15.139 426 1HB GLN 57 1HB GLN 57 -7.028 10.906 14.614 427 2HB GLN 57 2HB GLN 57 -8.558 10.086 14.916 428 1HG GLN 57 1HG GLN 57 -8.021 11.054 16.971 429 2HG GLN 57 2HG GLN 57 -7.652 9.349 17.168 430 1HE2 GLN 57 2HE2 GLN 57 -5.581 8.841 17.933 431 2HE2 GLN 57 1HE2 GLN 57 -4.232 9.951 17.957 432 H LEU 58 H LEU 58 -6.059 6.806 13.201 433 HA LEU 58 HA LEU 58 -7.895 7.363 10.918 434 1HB LEU 58 1HB LEU 58 -5.080 7.284 10.752 435 2HB LEU 58 2HB LEU 58 -5.563 5.654 10.307 436 HG LEU 58 HG LEU 58 -6.433 8.262 9.011 437 1HD1 LEU 58 1HD1 LEU 58 -5.261 7.375 7.049 438 2HD1 LEU 58 2HD1 LEU 58 -4.165 7.408 8.441 439 3HD1 LEU 58 3HD1 LEU 58 -4.879 5.874 7.920 440 1HD2 LEU 58 1HD2 LEU 58 -8.409 6.915 8.851 441 2HD2 LEU 58 2HD2 LEU 58 -7.598 6.811 7.302 442 3HD2 LEU 58 3HD2 LEU 58 -7.463 5.457 8.454 443 H SER 59 H SER 59 -8.873 5.348 10.091 444 HA SER 59 HA SER 59 -8.931 3.279 12.226 445 1HB SER 59 1HB SER 59 -11.222 4.323 10.526 446 2HB SER 59 2HB SER 59 -11.332 3.155 11.853 447 HG SER 59 HG SER 59 -10.718 4.770 13.290 448 H LEU 60 H LEU 60 -7.806 1.552 11.329 449 HA LEU 60 HA LEU 60 -8.392 0.671 8.545 450 1HB LEU 60 1HB LEU 60 -6.696 -0.900 10.470 451 2HB LEU 60 2HB LEU 60 -6.606 -0.815 8.723 452 HG LEU 60 HG LEU 60 -5.606 1.215 10.739 453 1HD1 LEU 60 1HD1 LEU 60 -3.393 0.537 9.984 454 2HD1 LEU 60 2HD1 LEU 60 -4.309 -0.879 10.517 455 3HD1 LEU 60 3HD1 LEU 60 -4.098 -0.562 8.782 456 1HD2 LEU 60 1HD2 LEU 60 -6.289 2.499 8.799 457 2HD2 LEU 60 2HD2 LEU 60 -4.531 2.387 8.815 458 3HD2 LEU 60 3HD2 LEU 60 -5.464 1.359 7.703 459 H GLU 61 H GLU 61 -10.114 0.537 11.258 460 HA GLU 61 HA GLU 61 -10.169 -2.013 12.287 461 1HB GLU 61 1HB GLU 61 -11.177 0.047 13.231 462 2HB GLU 61 2HB GLU 61 -12.504 -0.079 12.068 463 1HG GLU 61 1HG GLU 61 -13.168 -2.252 13.055 464 2HG GLU 61 2HG GLU 61 -11.786 -2.191 14.153 465 H GLY 62 H GLY 62 -12.061 -0.935 9.404 466 1HA GLY 62 1HA GLY 62 -13.247 -3.658 9.255 467 2HA GLY 62 2HA GLY 62 -13.974 -2.166 8.664 468 H HIS 63 H HIS 63 -10.518 -2.762 8.076 469 HA HIS 63 HA HIS 63 -10.899 -2.835 5.194 470 1HB HIS 63 1HB HIS 63 -8.814 -1.954 6.236 471 2HB HIS 63 2HB HIS 63 -8.466 -3.564 6.881 472 HD1 HIS 63 HD1 HIS 63 -8.368 -1.607 3.536 473 HD2 HIS 63 HD2 HIS 63 -7.729 -5.486 5.093 474 HE1 HIS 63 HE1 HIS 63 -7.572 -3.026 1.628 475 H CYS 64 H CYS 64 -10.636 -4.714 3.866 476 HA CYS 64 HA CYS 64 -11.003 -7.349 5.236 477 1HB CYS 64 1HB CYS 64 -12.544 -6.161 2.901 478 2HB CYS 64 2HB CYS 64 -12.577 -7.881 3.343 479 HG CYS 64 HG CYS 64 -14.771 -6.708 4.166 480 H ALA 65 H ALA 65 -9.011 -8.195 4.881 481 HA ALA 65 HA ALA 65 -7.369 -7.611 2.636 482 1HB ALA 65 1HB ALA 65 -7.335 -9.819 4.746 483 2HB ALA 65 2HB ALA 65 -6.049 -9.599 3.555 484 3HB ALA 65 3HB ALA 65 -6.386 -8.316 4.737 485 H ARG 66 H ARG 66 -6.585 -9.132 0.995 486 HA ARG 66 HA ARG 66 -8.116 -11.507 0.328 487 1HB ARG 66 1HB ARG 66 -9.149 -10.736 -1.723 488 2HB ARG 66 2HB ARG 66 -9.717 -9.747 -0.391 489 1HG ARG 66 1HG ARG 66 -7.716 -8.119 -1.173 490 2HG ARG 66 2HG ARG 66 -7.868 -9.033 -2.677 491 1HD ARG 66 1HD ARG 66 -9.254 -7.142 -2.920 492 2HD ARG 66 2HD ARG 66 -10.380 -8.475 -2.599 493 HE ARG 66 HE ARG 66 -9.894 -7.512 -0.088 494 1HH1 ARG 66 1HH1 ARG 66 -11.001 -5.846 -3.053 495 2HH1 ARG 66 2HH1 ARG 66 -11.367 -4.376 -2.172 496 1HH2 ARG 66 1HH2 ARG 66 -10.479 -5.616 0.969 497 2HH2 ARG 66 2HH2 ARG 66 -11.021 -4.221 0.041 498 H GLN 67 H GLN 67 -7.101 -12.619 -1.565 499 HA GLN 67 HA GLN 67 -4.260 -11.970 -1.684 500 1HB GLN 67 1HB GLN 67 -5.280 -14.343 -1.607 501 2HB GLN 67 2HB GLN 67 -5.664 -14.102 -3.323 502 1HG GLN 67 1HG GLN 67 -3.222 -13.662 -3.754 503 2HG GLN 67 2HG GLN 67 -2.899 -13.881 -2.036 504 1HE2 GLN 67 2HE2 GLN 67 -1.300 -15.429 -3.050 505 2HE2 GLN 67 1HE2 GLN 67 -1.853 -17.071 -3.328 506 H ILE 68 H ILE 68 -3.094 -11.337 -3.483 507 HA ILE 68 HA ILE 68 -4.422 -9.638 -5.362 508 HB ILE 68 HB ILE 68 -2.045 -9.394 -4.635 509 1HG1 ILE 68 1HG1 ILE 68 -1.068 -8.921 -6.889 510 2HG1 ILE 68 2HG1 ILE 68 -2.442 -9.711 -7.648 511 1HG2 ILE 68 1HG2 ILE 68 -1.382 -11.799 -4.658 512 2HG2 ILE 68 2HG2 ILE 68 -1.413 -11.759 -6.429 513 3HG2 ILE 68 3HG2 ILE 68 -0.266 -10.750 -5.551 514 1HD1 ILE 68 1HD1 ILE 68 -2.586 -7.272 -5.823 515 2HD1 ILE 68 2HD1 ILE 68 -2.622 -7.221 -7.589 516 3HD1 ILE 68 3HD1 ILE 68 -3.956 -7.981 -6.713 517 H SER 69 H SER 69 -5.087 -10.063 -7.415 518 HA SER 69 HA SER 69 -4.780 -12.731 -8.615 519 1HB SER 69 1HB SER 69 -7.445 -11.417 -7.874 520 2HB SER 69 2HB SER 69 -7.296 -12.725 -9.071 521 HG SER 69 HG SER 69 -7.830 -13.482 -6.979 522 H ARG 70 H ARG 70 -4.959 -12.512 -10.962 523 HA ARG 70 HA ARG 70 -3.924 -10.026 -11.787 524 1HB ARG 70 1HB ARG 70 -3.484 -12.269 -12.772 525 2HB ARG 70 2HB ARG 70 -5.051 -12.210 -13.587 526 1HG ARG 70 1HG ARG 70 -4.349 -10.415 -15.011 527 2HG ARG 70 2HG ARG 70 -2.954 -10.027 -13.977 528 1HD ARG 70 1HD ARG 70 -1.885 -12.145 -14.514 529 2HD ARG 70 2HD ARG 70 -3.286 -12.667 -15.459 530 HE ARG 70 HE ARG 70 -2.623 -10.393 -16.770 531 1HH1 ARG 70 1HH2 ARG 70 -0.404 -12.954 -15.677 532 2HH1 ARG 70 2HH2 ARG 70 0.288 -13.187 -17.245 533 1HH2 ARG 70 1HH1 ARG 70 -1.543 -10.444 -18.636 534 2HH2 ARG 70 2HH1 ARG 70 -0.269 -11.594 -18.984 535 H ARG 71 H ARG 71 -7.315 -11.088 -11.780 536 HA ARG 71 HA ARG 71 -8.360 -8.990 -13.384 537 1HB ARG 71 1HB ARG 71 -9.644 -10.957 -12.547 538 2HB ARG 71 2HB ARG 71 -9.592 -10.288 -10.907 539 1HG ARG 71 1HG ARG 71 -10.872 -8.303 -11.671 540 2HG ARG 71 2HG ARG 71 -10.862 -8.930 -13.334 541 1HD ARG 71 1HD ARG 71 -12.128 -10.923 -12.586 542 2HD ARG 71 2HD ARG 71 -12.127 -10.301 -10.922 543 HE ARG 71 HE ARG 71 -13.205 -8.306 -12.617 544 1HH1 ARG 71 1HH1 ARG 71 -14.089 -11.526 -11.413 545 2HH1 ARG 71 2HH1 ARG 71 -15.789 -11.255 -11.511 546 1HH2 ARG 71 1HH2 ARG 71 -15.470 -7.939 -12.749 547 2HH2 ARG 71 2HH2 ARG 71 -16.587 -9.166 -12.290 548 H LEU 72 H LEU 72 -7.355 -8.997 -9.911 549 HA LEU 72 HA LEU 72 -8.262 -6.286 -9.439 550 1HB LEU 72 1HB LEU 72 -6.177 -7.973 -7.999 551 2HB LEU 72 2HB LEU 72 -6.634 -6.360 -7.500 552 HG LEU 72 HG LEU 72 -8.665 -8.609 -7.735 553 1HD1 LEU 72 1HD1 LEU 72 -6.946 -9.272 -6.102 554 2HD1 LEU 72 2HD1 LEU 72 -7.100 -7.708 -5.272 555 3HD1 LEU 72 3HD1 LEU 72 -8.452 -8.865 -5.280 556 1HD2 LEU 72 1HD2 LEU 72 -8.750 -6.001 -6.161 557 2HD2 LEU 72 2HD2 LEU 72 -9.617 -6.308 -7.690 558 3HD2 LEU 72 3HD2 LEU 72 -10.025 -7.231 -6.244 559 H CYS 73 H CYS 73 -5.091 -7.754 -10.469 560 HA CYS 73 HA CYS 73 -3.684 -5.342 -10.601 561 1HB CYS 73 1HB CYS 73 -3.448 -7.634 -12.602 562 2HB CYS 73 2HB CYS 73 -2.219 -6.425 -12.226 563 HG CYS 73 HG CYS 73 -1.916 -7.051 -9.716 564 H ARG 74 H ARG 74 -6.133 -6.547 -12.922 565 HA ARG 74 HA ARG 74 -5.602 -4.364 -14.816 566 1HB ARG 74 1HB ARG 74 -7.797 -6.475 -14.595 567 2HB ARG 74 2HB ARG 74 -7.718 -5.270 -15.886 568 1HG ARG 74 1HG ARG 74 -5.560 -6.096 -16.633 569 2HG ARG 74 2HG ARG 74 -5.478 -7.257 -15.297 570 1HD ARG 74 1HD ARG 74 -7.459 -8.427 -16.146 571 2HD ARG 74 2HD ARG 74 -7.598 -7.261 -17.483 572 HE ARG 74 HE ARG 74 -5.054 -8.109 -17.793 573 1HH1 ARG 74 1HH2 ARG 74 -8.137 -9.886 -17.617 574 2HH1 ARG 74 2HH2 ARG 74 -7.546 -11.260 -18.474 575 1HH2 ARG 74 1HH1 ARG 74 -4.243 -9.932 -18.768 576 2HH2 ARG 74 2HH1 ARG 74 -5.267 -11.271 -19.221 577 H ASN 75 H ASN 75 -7.727 -4.885 -12.036 578 HA ASN 75 HA ASN 75 -9.726 -3.018 -12.788 579 1HB ASN 75 1HB ASN 75 -9.995 -4.940 -11.186 580 2HB ASN 75 2HB ASN 75 -9.045 -4.032 -10.006 581 1HD2 ASN 75 2HD2 ASN 75 -10.456 -3.169 -8.464 582 2HD2 ASN 75 1HD2 ASN 75 -12.018 -2.492 -8.828 583 H TYR 76 H TYR 76 -6.559 -2.386 -11.569 584 HA TYR 76 HA TYR 76 -7.396 0.390 -10.957 585 1HB TYR 76 1HB TYR 76 -5.218 -1.086 -9.458 586 2HB TYR 76 2HB TYR 76 -5.818 0.518 -9.117 587 HD1 TYR 76 HD1 TYR 76 -6.418 -3.063 -8.832 588 HD2 TYR 76 HD2 TYR 76 -7.980 0.801 -7.796 589 HE1 TYR 76 HE1 TYR 76 -8.088 -4.150 -7.397 590 HE2 TYR 76 HE2 TYR 76 -9.679 -0.258 -6.367 591 HH TYR 76 HH TYR 76 -9.946 -3.823 -5.980 592 H ASP 77 H ASP 77 -5.695 2.008 -11.278 593 HA ASP 77 HA ASP 77 -4.313 1.271 -13.808 594 1HB ASP 77 1HB ASP 77 -6.160 2.934 -13.861 595 2HB ASP 77 2HB ASP 77 -5.216 3.984 -12.800 596 H LEU 78 H LEU 78 -3.457 1.718 -10.606 597 HA LEU 78 HA LEU 78 -0.674 2.020 -11.410 598 1HB LEU 78 1HB LEU 78 -1.744 4.345 -10.859 599 2HB LEU 78 2HB LEU 78 -1.760 3.816 -9.192 600 HG LEU 78 HG LEU 78 0.097 5.308 -9.809 601 1HD1 LEU 78 1HD1 LEU 78 0.390 3.690 -7.958 602 2HD1 LEU 78 2HD1 LEU 78 1.218 2.581 -9.081 603 3HD1 LEU 78 3HD1 LEU 78 1.902 4.172 -8.736 604 1HD2 LEU 78 1HD2 LEU 78 1.273 3.085 -11.519 605 2HD2 LEU 78 2HD2 LEU 78 0.385 4.484 -12.165 606 3HD2 LEU 78 3HD2 LEU 78 1.886 4.728 -11.264 607 H ILE 79 H ILE 79 0.505 0.578 -10.131 608 HA ILE 79 HA ILE 79 -0.959 -0.731 -7.887 609 HB ILE 79 HB ILE 79 0.849 -2.118 -9.891 610 1HG1 ILE 79 1HG1 ILE 79 -1.142 -1.461 -11.131 611 2HG1 ILE 79 2HG1 ILE 79 -1.018 -3.196 -10.941 612 1HG2 ILE 79 1HG2 ILE 79 -0.988 -3.204 -7.713 613 2HG2 ILE 79 2HG2 ILE 79 -0.105 -4.200 -8.892 614 3HG2 ILE 79 3HG2 ILE 79 0.779 -3.224 -7.715 615 1HD1 ILE 79 1HD1 ILE 79 -3.334 -2.367 -10.713 616 2HD1 ILE 79 2HD1 ILE 79 -2.788 -3.194 -9.249 617 3HD1 ILE 79 3HD1 ILE 79 -2.858 -1.413 -9.300 618 H LEU 80 H LEU 80 0.355 -1.042 -6.082 619 HA LEU 80 HA LEU 80 3.212 -0.272 -6.297 620 1HB LEU 80 1HB LEU 80 1.118 0.867 -4.412 621 2HB LEU 80 2HB LEU 80 2.856 1.064 -4.160 622 HG LEU 80 HG LEU 80 1.335 2.068 -6.589 623 1HD1 LEU 80 1HD1 LEU 80 1.469 4.284 -5.698 624 2HD1 LEU 80 2HD1 LEU 80 0.662 3.251 -4.510 625 3HD1 LEU 80 3HD1 LEU 80 2.363 3.729 -4.278 626 1HD2 LEU 80 1HD2 LEU 80 3.359 3.371 -7.056 627 2HD2 LEU 80 2HD2 LEU 80 4.183 2.635 -5.663 628 3HD2 LEU 80 3HD2 LEU 80 3.708 1.655 -7.068 629 H THR 81 H THR 81 4.516 -1.032 -4.602 630 HA THR 81 HA THR 81 3.280 -2.615 -2.509 631 HB THR 81 HB THR 81 3.366 -4.249 -4.307 632 HG1 THR 81 1HG THR 81 3.659 -4.905 -2.164 633 1HG2 THR 81 1HG2 THR 81 5.419 -5.116 -5.186 634 2HG2 THR 81 2HG2 THR 81 5.271 -3.411 -5.600 635 3HG2 THR 81 3HG2 THR 81 6.379 -3.905 -4.294 636 H MET 82 H MET 82 5.329 -3.579 -1.121 637 HA MET 82 HA MET 82 6.546 -0.985 -0.404 638 1HB MET 82 1HB MET 82 6.134 -3.561 1.158 639 2HB MET 82 2HB MET 82 6.629 -2.014 1.831 640 1HG MET 82 1HG MET 82 3.942 -2.674 0.555 641 2HG MET 82 2HG MET 82 4.259 -2.398 2.246 642 1HE MET 82 1HE MET 82 1.996 -1.087 0.341 643 2HE MET 82 2HE MET 82 2.038 -0.707 2.082 644 3HE MET 82 3HE MET 82 1.979 0.605 0.883 645 H GLU 83 H GLU 83 7.558 -3.997 -1.789 646 HA GLU 83 HA GLU 83 10.390 -3.423 -1.085 647 1HB GLU 83 1HB GLU 83 8.938 -6.070 -0.673 648 2HB GLU 83 2HB GLU 83 10.692 -5.876 -0.643 649 1HG GLU 83 1HG GLU 83 10.552 -4.360 1.276 650 2HG GLU 83 2HG GLU 83 8.789 -4.420 1.238 651 H LYS 84 H LYS 84 11.872 -4.212 -2.673 652 HA LYS 84 HA LYS 84 10.772 -3.979 -5.327 653 1HB LYS 84 1HB LYS 84 13.572 -4.671 -4.339 654 2HB LYS 84 2HB LYS 84 13.146 -4.413 -6.038 655 1HG LYS 84 1HG LYS 84 12.415 -2.106 -5.549 656 2HG LYS 84 2HG LYS 84 12.738 -2.343 -3.834 657 1HD LYS 84 1HD LYS 84 14.549 -1.088 -4.746 658 2HD LYS 84 2HD LYS 84 15.154 -2.702 -4.340 659 1HE LYS 84 1HE LYS 84 14.942 -3.365 -6.742 660 2HE LYS 84 2HE LYS 84 14.323 -1.754 -7.127 661 1HZ LYS 84 1HZ LYS 84 16.678 -1.939 -7.608 662 2HZ LYS 84 2HZ LYS 84 16.462 -0.842 -6.425 663 3HZ LYS 84 3HZ LYS 84 17.031 -2.333 -6.068 664 H ARG 85 H ARG 85 11.904 -6.769 -3.401 665 HA ARG 85 HA ARG 85 11.632 -8.777 -5.396 666 1HB ARG 85 1HB ARG 85 11.113 -10.271 -3.446 667 2HB ARG 85 2HB ARG 85 12.630 -9.416 -3.382 668 1HG ARG 85 1HG ARG 85 10.543 -7.875 -1.977 669 2HG ARG 85 2HG ARG 85 10.590 -9.529 -1.414 670 1HD ARG 85 1HD ARG 85 12.006 -8.190 -0.018 671 2HD ARG 85 2HD ARG 85 12.987 -9.347 -0.890 672 HE ARG 85 HE ARG 85 12.914 -6.376 -1.206 673 1HH1 ARG 85 1HH2 ARG 85 14.477 -9.435 -2.190 674 2HH1 ARG 85 2HH2 ARG 85 15.907 -8.652 -2.745 675 1HH2 ARG 85 1HH1 ARG 85 14.803 -5.392 -1.833 676 2HH2 ARG 85 2HH1 ARG 85 16.084 -6.301 -2.583 677 H HIS 86 H HIS 86 9.064 -7.100 -3.492 678 HA HIS 86 HA HIS 86 7.026 -8.951 -4.420 679 1HB HIS 86 1HB HIS 86 6.717 -6.131 -3.346 680 2HB HIS 86 2HB HIS 86 5.442 -7.323 -3.533 681 HD1 HIS 86 HD1 HIS 86 7.832 -9.469 -1.980 682 HD2 HIS 86 HD2 HIS 86 5.680 -6.057 -0.784 683 HE1 HIS 86 HE1 HIS 86 7.806 -9.482 0.563 684 H ILE 87 H ILE 87 8.319 -5.759 -5.544 685 HA ILE 87 HA ILE 87 6.435 -5.333 -7.618 686 HB ILE 87 HB ILE 87 9.414 -4.712 -7.785 687 1HG1 ILE 87 1HG1 ILE 87 7.238 -2.876 -6.690 688 2HG1 ILE 87 2HG1 ILE 87 8.407 -3.742 -5.694 689 1HG2 ILE 87 1HG2 ILE 87 7.064 -3.292 -9.102 690 2HG2 ILE 87 2HG2 ILE 87 8.789 -2.982 -9.379 691 3HG2 ILE 87 3HG2 ILE 87 8.088 -4.491 -9.919 692 1HD1 ILE 87 1HD1 ILE 87 10.259 -2.556 -6.978 693 2HD1 ILE 87 2HD1 ILE 87 8.992 -1.519 -7.666 694 3HD1 ILE 87 3HD1 ILE 87 9.246 -1.561 -5.919 695 H GLU 88 H GLU 88 9.490 -7.269 -7.541 696 HA GLU 88 HA GLU 88 9.364 -8.045 -10.260 697 1HB GLU 88 1HB GLU 88 11.339 -8.215 -8.676 698 2HB GLU 88 2HB GLU 88 10.578 -9.651 -7.978 699 1HG GLU 88 1HG GLU 88 10.561 -10.668 -10.306 700 2HG GLU 88 2HG GLU 88 11.458 -9.262 -10.874 701 H ARG 89 H ARG 89 7.969 -9.641 -7.312 702 HA ARG 89 HA ARG 89 6.970 -11.911 -8.717 703 1HB ARG 89 1HB ARG 89 5.835 -10.611 -6.225 704 2HB ARG 89 2HB ARG 89 5.420 -12.216 -6.820 705 1HG ARG 89 1HG ARG 89 8.220 -11.397 -6.018 706 2HG ARG 89 2HG ARG 89 7.067 -12.106 -4.908 707 1HD ARG 89 1HD ARG 89 8.627 -13.765 -5.578 708 2HD ARG 89 2HD ARG 89 7.055 -14.178 -6.277 709 HE ARG 89 HE ARG 89 8.018 -14.091 -8.366 710 1HH1 ARG 89 1HH2 ARG 89 10.199 -12.156 -6.242 711 2HH1 ARG 89 2HH2 ARG 89 11.384 -12.032 -7.532 712 1HH2 ARG 89 1HH1 ARG 89 9.555 -13.835 -9.872 713 2HH2 ARG 89 2HH1 ARG 89 11.050 -12.920 -9.530 714 H LEU 90 H LEU 90 5.541 -8.667 -8.157 715 HA LEU 90 HA LEU 90 3.013 -9.366 -9.360 716 1HB LEU 90 1HB LEU 90 4.385 -6.695 -8.871 717 2HB LEU 90 2HB LEU 90 2.759 -6.838 -9.538 718 HG LEU 90 HG LEU 90 3.571 -8.002 -6.834 719 1HD1 LEU 90 1HD1 LEU 90 2.497 -6.124 -5.789 720 2HD1 LEU 90 2HD1 LEU 90 3.735 -5.511 -6.886 721 3HD1 LEU 90 3HD1 LEU 90 2.020 -5.441 -7.359 722 1HD2 LEU 90 1HD2 LEU 90 1.119 -8.073 -6.440 723 2HD2 LEU 90 2HD2 LEU 90 0.842 -7.581 -8.123 724 3HD2 LEU 90 3HD2 LEU 90 1.611 -9.140 -7.746 725 H CYS 91 H CYS 91 6.069 -8.019 -10.690 726 HA CYS 91 HA CYS 91 5.082 -7.624 -13.349 727 1HB CYS 91 1HB CYS 91 7.883 -8.333 -12.342 728 2HB CYS 91 2HB CYS 91 7.495 -7.812 -13.983 729 HG CYS 91 HG CYS 91 6.997 -6.199 -11.138 730 H GLU 92 H GLU 92 6.404 -10.505 -11.667 731 HA GLU 92 HA GLU 92 6.449 -12.185 -13.965 732 1HB GLU 92 1HB GLU 92 7.772 -12.556 -11.941 733 2HB GLU 92 2HB GLU 92 6.305 -12.816 -10.988 734 1HG GLU 92 1HG GLU 92 5.779 -14.835 -12.274 735 2HG GLU 92 2HG GLU 92 7.162 -14.540 -13.338 736 H MET 93 H MET 93 3.970 -11.706 -11.357 737 HA MET 93 HA MET 93 2.147 -13.656 -12.397 738 1HB MET 93 1HB MET 93 1.767 -11.245 -10.569 739 2HB MET 93 2HB MET 93 0.460 -12.349 -11.010 740 1HG MET 93 1HG MET 93 1.771 -14.262 -10.104 741 2HG MET 93 2HG MET 93 3.029 -13.143 -9.596 742 1HE MET 93 1HE MET 93 -1.029 -12.773 -9.278 743 2HE MET 93 2HE MET 93 -0.550 -14.481 -9.128 744 3HE MET 93 3HE MET 93 -1.183 -13.610 -7.721 745 H ALA 94 H ALA 94 2.526 -10.154 -13.043 746 HA ALA 94 HA ALA 94 0.557 -10.409 -15.272 747 1HB ALA 94 1HB ALA 94 -0.629 -9.499 -13.322 748 2HB ALA 94 2HB ALA 94 0.598 -8.226 -13.149 749 3HB ALA 94 3HB ALA 94 -0.443 -8.269 -14.589 750 HA PRO 95 HA PRO 95 4.559 -8.582 -16.761 751 1HB PRO 95 1HB PRO 95 3.393 -9.892 -19.224 752 2HB PRO 95 2HB PRO 95 5.109 -9.754 -18.733 753 1HG PRO 95 1HG PRO 95 3.777 -12.075 -18.338 754 2HG PRO 95 2HG PRO 95 4.832 -11.426 -17.039 755 1HD PRO 95 1HD PRO 95 1.824 -11.216 -17.293 756 2HD PRO 95 2HD PRO 95 2.811 -11.632 -15.860 757 H GLU 96 H GLU 96 1.204 -8.512 -18.028 758 HA GLU 96 HA GLU 96 1.439 -6.230 -19.663 759 1HB GLU 96 1HB GLU 96 -0.990 -6.129 -19.506 760 2HB GLU 96 2HB GLU 96 -0.440 -7.793 -19.695 761 1HG GLU 96 1HG GLU 96 -0.704 -8.116 -17.202 762 2HG GLU 96 2HG GLU 96 -1.379 -6.487 -17.097 763 H MET 97 H MET 97 1.800 -6.340 -16.259 764 HA MET 97 HA MET 97 1.271 -3.418 -15.985 765 1HB MET 97 1HB MET 97 0.537 -5.772 -14.337 766 2HB MET 97 2HB MET 97 1.386 -4.548 -13.407 767 1HG MET 97 1HG MET 97 -1.020 -3.973 -15.165 768 2HG MET 97 2HG MET 97 -1.089 -4.284 -13.427 769 1HE MET 97 1HE MET 97 -2.294 -1.693 -14.900 770 2HE MET 97 2HE MET 97 -2.455 -2.071 -13.171 771 3HE MET 97 3HE MET 97 -1.884 -0.465 -13.674 772 H ARG 98 H ARG 98 3.841 -5.502 -16.496 773 HA ARG 98 HA ARG 98 5.450 -4.895 -14.245 774 1HB ARG 98 1HB ARG 98 7.283 -5.880 -15.393 775 2HB ARG 98 2HB ARG 98 5.841 -6.787 -15.841 776 1HG ARG 98 1HG ARG 98 5.829 -5.317 -17.995 777 2HG ARG 98 2HG ARG 98 7.443 -4.805 -17.516 778 1HD ARG 98 1HD ARG 98 6.576 -7.695 -17.988 779 2HD ARG 98 2HD ARG 98 7.454 -6.692 -19.131 780 HE ARG 98 HE ARG 98 9.362 -6.643 -17.710 781 1HH1 ARG 98 1HH2 ARG 98 6.956 -9.058 -16.641 782 2HH1 ARG 98 2HH2 ARG 98 8.114 -10.017 -15.810 783 1HH2 ARG 98 1HH1 ARG 98 10.859 -7.898 -16.545 784 2HH2 ARG 98 2HH1 ARG 98 10.367 -9.324 -15.719 785 H GLY 99 H GLY 99 7.055 -3.345 -13.857 786 1HA GLY 99 1HA GLY 99 8.182 -1.359 -14.041 787 2HA GLY 99 2HA GLY 99 7.704 -1.248 -15.741 788 H LYS 100 H LYS 100 4.805 -1.345 -15.318 789 HA LYS 100 HA LYS 100 4.232 1.353 -14.417 790 1HB LYS 100 1HB LYS 100 3.004 0.157 -16.217 791 2HB LYS 100 2HB LYS 100 2.344 -0.966 -15.024 792 1HG LYS 100 1HG LYS 100 1.102 0.804 -13.934 793 2HG LYS 100 2HG LYS 100 1.932 2.051 -14.889 794 1HD LYS 100 1HD LYS 100 0.907 1.245 -16.954 795 2HD LYS 100 2HD LYS 100 0.162 -0.123 -16.099 796 1HE LYS 100 1HE LYS 100 -1.145 1.434 -14.708 797 2HE LYS 100 2HE LYS 100 -0.393 2.819 -15.495 798 1HZ LYS 100 1HZ LYS 100 -2.088 0.831 -16.894 799 2HZ LYS 100 2HZ LYS 100 -2.604 2.290 -16.361 800 3HZ LYS 100 3HZ LYS 100 -1.469 2.200 -17.545 801 H VAL 101 H VAL 101 4.154 -1.893 -12.950 802 HA VAL 101 HA VAL 101 3.108 -0.886 -10.427 803 HB VAL 101 HB VAL 101 2.687 -3.196 -11.041 804 1HG1 VAL 101 1HG1 VAL 101 4.730 -3.735 -12.356 805 2HG1 VAL 101 2HG1 VAL 101 5.674 -3.755 -10.867 806 3HG1 VAL 101 3HG1 VAL 101 4.380 -4.939 -11.116 807 1HG2 VAL 101 1HG2 VAL 101 2.930 -2.591 -8.627 808 2HG2 VAL 101 2HG2 VAL 101 3.293 -4.282 -8.986 809 3HG2 VAL 101 3HG2 VAL 101 4.614 -3.139 -8.681 810 H MET 102 H MET 102 4.442 -0.217 -8.632 811 HA MET 102 HA MET 102 7.356 -0.371 -8.939 812 1HB MET 102 1HB MET 102 7.806 1.967 -9.032 813 2HB MET 102 2HB MET 102 6.701 1.592 -10.345 814 1HG MET 102 1HG MET 102 4.806 2.433 -8.910 815 2HG MET 102 2HG MET 102 6.000 2.899 -7.690 816 1HE MET 102 1HE MET 102 5.384 3.261 -11.611 817 2HE MET 102 2HE MET 102 3.989 3.858 -10.684 818 3HE MET 102 3HE MET 102 4.979 4.994 -11.628 819 H LEU 103 H LEU 103 8.339 1.176 -7.061 820 HA LEU 103 HA LEU 103 7.413 -0.106 -4.657 821 1HB LEU 103 1HB LEU 103 9.851 0.581 -5.419 822 2HB LEU 103 2HB LEU 103 9.416 2.175 -4.832 823 HG LEU 103 HG LEU 103 8.865 1.061 -2.576 824 1HD1 LEU 103 1HD1 LEU 103 9.977 -1.111 -2.142 825 2HD1 LEU 103 2HD1 LEU 103 8.673 -1.301 -3.318 826 3HD1 LEU 103 3HD1 LEU 103 10.368 -1.273 -3.859 827 1HD2 LEU 103 1HD2 LEU 103 11.692 0.966 -3.712 828 2HD2 LEU 103 2HD2 LEU 103 10.892 2.334 -2.891 829 3HD2 LEU 103 3HD2 LEU 103 11.293 0.870 -1.990 830 H PHE 104 H PHE 104 6.096 0.726 -3.053 831 HA PHE 104 HA PHE 104 4.688 3.158 -3.313 832 1HB PHE 104 1HB PHE 104 4.138 1.126 -1.877 833 2HB PHE 104 2HB PHE 104 5.337 1.698 -0.721 834 HD1 PHE 104 HD1 PHE 104 4.751 3.473 0.854 835 HD2 PHE 104 HD2 PHE 104 2.135 2.504 -2.427 836 HE1 PHE 104 HE1 PHE 104 2.987 4.964 1.796 837 HE2 PHE 104 HE2 PHE 104 0.429 4.058 -1.540 838 HZ PHE 104 HZ PHE 104 0.855 5.284 0.570 839 H GLY 105 H GLY 105 7.729 2.399 -1.566 840 1HA GLY 105 1HA GLY 105 7.999 5.097 -0.489 841 2HA GLY 105 2HA GLY 105 9.139 3.756 -0.328 842 H HIS 106 H HIS 106 8.074 4.554 -3.588 843 HA HIS 106 HA HIS 106 10.618 4.748 -4.634 844 1HB HIS 106 1HB HIS 106 8.847 4.317 -6.063 845 2HB HIS 106 2HB HIS 106 7.939 5.748 -5.555 846 HD1 HIS 106 HD1 HIS 106 10.975 4.828 -7.818 847 HD2 HIS 106 HD2 HIS 106 8.334 7.992 -6.873 848 HE1 HIS 106 HE1 HIS 106 11.377 6.648 -9.540 849 H TRP 107 H TRP 107 8.556 7.479 -3.510 850 HA TRP 107 HA TRP 107 10.190 9.545 -4.471 851 1HB TRP 107 1HB TRP 107 8.520 9.631 -1.947 852 2HB TRP 107 2HB TRP 107 8.884 10.964 -3.037 853 HD1 TRP 107 HD1 TRP 107 6.353 8.356 -2.301 854 HE1 TRP 107 HE1 TRP 107 4.522 8.275 -4.053 855 HE3 TRP 107 HE3 TRP 107 8.530 11.322 -5.881 856 HZ2 TRP 107 HZ2 TRP 107 3.998 9.424 -6.670 857 HZ3 TRP 107 HZ3 TRP 107 7.321 11.812 -7.993 858 HH2 TRP 107 HH2 TRP 107 5.036 10.882 -8.378 859 H ASP 108 H ASP 108 10.588 7.533 -1.584 860 HA ASP 108 HA ASP 108 12.581 9.402 -0.430 861 1HB ASP 108 1HB ASP 108 10.881 8.458 1.080 862 2HB ASP 108 2HB ASP 108 11.408 6.822 0.671 863 H ASN 109 H ASN 109 13.583 8.849 -2.684 864 HA ASN 109 HA ASN 109 15.123 7.784 -3.945 865 1HB ASN 109 1HB ASN 109 16.450 8.901 -2.151 866 2HB ASN 109 2HB ASN 109 16.506 7.369 -1.272 867 1HD2 ASN 109 2HD2 ASN 109 17.110 8.539 -4.678 868 2HD2 ASN 109 1HD2 ASN 109 18.596 7.653 -4.869 869 H GLU 110 H GLU 110 13.035 6.127 -3.655 870 HA GLU 110 HA GLU 110 12.276 4.015 -3.582 871 1HB GLU 110 1HB GLU 110 14.885 3.365 -4.989 872 2HB GLU 110 2HB GLU 110 13.331 2.517 -5.117 873 1HG GLU 110 1HG GLU 110 12.371 4.796 -5.873 874 2HG GLU 110 2HG GLU 110 14.044 5.289 -6.121 875 H CYS 111 H CYS 111 13.294 4.611 -1.105 876 HA CYS 111 HA CYS 111 14.828 2.373 -0.063 877 1HB CYS 111 1HB CYS 111 13.123 4.556 1.171 878 2HB CYS 111 2HB CYS 111 13.851 3.253 2.145 879 HG CYS 111 HG CYS 111 15.196 5.550 0.244 880 H GLU 112 H GLU 112 14.096 0.365 0.400 881 HA GLU 112 HA GLU 112 11.303 -0.374 0.011 882 1HB GLU 112 1HB GLU 112 13.705 -1.889 1.138 883 2HB GLU 112 2HB GLU 112 12.102 -2.590 0.877 884 1HG GLU 112 1HG GLU 112 12.249 -2.058 -1.536 885 2HG GLU 112 2HG GLU 112 13.867 -1.394 -1.304 886 H ILE 113 H ILE 113 9.829 -0.966 1.620 887 HA ILE 113 HA ILE 113 10.290 0.487 4.152 888 HB ILE 113 HB ILE 113 7.776 -0.486 2.777 889 1HG1 ILE 113 1HG1 ILE 113 9.146 2.223 2.956 890 2HG1 ILE 113 2HG1 ILE 113 8.821 1.273 1.511 891 1HG2 ILE 113 1HG2 ILE 113 7.469 -0.412 5.251 892 2HG2 ILE 113 2HG2 ILE 113 7.942 1.302 5.233 893 3HG2 ILE 113 3HG2 ILE 113 6.476 0.757 4.399 894 1HD1 ILE 113 1HD1 ILE 113 6.361 1.629 1.892 895 2HD1 ILE 113 2HD1 ILE 113 6.808 2.779 3.186 896 3HD1 ILE 113 3HD1 ILE 113 7.300 3.088 1.519 897 HA PRO 114 HA PRO 114 10.826 -3.407 6.313 898 1HB PRO 114 1HB PRO 114 9.531 -2.061 8.662 899 2HB PRO 114 2HB PRO 114 11.086 -2.930 8.576 900 1HG PRO 114 1HG PRO 114 10.995 -0.205 8.660 901 2HG PRO 114 2HG PRO 114 12.184 -1.062 7.629 902 1HD PRO 114 1HD PRO 114 9.564 0.205 6.813 903 2HD PRO 114 2HD PRO 114 11.162 0.261 6.008 904 H ASP 115 H ASP 115 9.520 -5.044 7.581 905 HA ASP 115 HA ASP 115 6.662 -5.056 6.699 906 1HB ASP 115 1HB ASP 115 7.708 -6.784 5.545 907 2HB ASP 115 2HB ASP 115 8.763 -7.197 6.904 908 HA PRO 116 HA PRO 116 6.484 -4.902 11.212 909 1HB PRO 116 1HB PRO 116 3.963 -4.017 11.579 910 2HB PRO 116 2HB PRO 116 5.220 -2.970 10.856 911 1HG PRO 116 1HG PRO 116 3.114 -4.623 9.418 912 2HG PRO 116 2HG PRO 116 3.508 -2.894 9.169 913 1HD PRO 116 1HD PRO 116 4.567 -4.914 7.622 914 2HD PRO 116 2HD PRO 116 5.490 -3.430 8.000 915 H TYR 117 H TYR 117 4.838 -7.196 9.152 916 HA TYR 117 HA TYR 117 2.912 -8.281 10.825 917 1HB TYR 117 1HB TYR 117 3.271 -8.809 8.439 918 2HB TYR 117 2HB TYR 117 4.761 -9.659 8.842 919 HD1 TYR 117 HD1 TYR 117 4.729 -11.854 9.877 920 HD2 TYR 117 HD2 TYR 117 1.083 -9.742 9.016 921 HE1 TYR 117 HE1 TYR 117 3.446 -13.954 10.245 922 HE2 TYR 117 HE2 TYR 117 -0.225 -11.836 9.360 923 HH TYR 117 HH TYR 117 -0.133 -14.099 9.930 924 H ARG 118 H ARG 118 3.004 -9.251 12.763 925 HA ARG 118 HA ARG 118 3.686 -10.292 14.596 926 1HB ARG 118 1HB ARG 118 4.027 -12.070 12.734 927 2HB ARG 118 2HB ARG 118 5.754 -11.833 13.012 928 1HG ARG 118 1HG ARG 118 5.434 -12.516 15.394 929 2HG ARG 118 2HG ARG 118 3.689 -12.668 15.107 930 1HD ARG 118 1HD ARG 118 4.121 -14.424 13.420 931 2HD ARG 118 2HD ARG 118 5.871 -14.253 13.687 932 HE ARG 118 HE ARG 118 4.598 -14.762 16.177 933 1HH1 ARG 118 1HH2 ARG 118 5.366 -16.465 13.156 934 2HH1 ARG 118 2HH2 ARG 118 5.441 -18.024 13.888 935 1HH2 ARG 118 1HH1 ARG 118 4.700 -16.841 17.153 936 2HH2 ARG 118 2HH1 ARG 118 5.053 -18.238 16.212 937 H LYS 119 H LYS 119 5.361 -7.822 13.542 938 HA LYS 119 HA LYS 119 7.759 -8.209 15.265 939 1HB LYS 119 1HB LYS 119 7.000 -5.752 13.667 940 2HB LYS 119 2HB LYS 119 8.566 -6.144 14.376 941 1HG LYS 119 1HG LYS 119 7.249 -7.351 11.952 942 2HG LYS 119 2HG LYS 119 8.742 -6.431 12.026 943 1HD LYS 119 1HD LYS 119 9.808 -8.338 13.270 944 2HD LYS 119 2HD LYS 119 8.316 -9.266 13.070 945 1HE LYS 119 1HE LYS 119 10.191 -8.283 10.883 946 2HE LYS 119 2HE LYS 119 9.859 -9.953 11.356 947 1HZ LYS 119 1HZ LYS 119 8.041 -8.080 9.979 948 2HZ LYS 119 2HZ LYS 119 8.597 -9.493 9.396 949 3HZ LYS 119 3HZ LYS 119 7.500 -9.488 10.624 950 H SER 120 H SER 120 8.253 -6.078 16.591 951 HA SER 120 HA SER 120 6.261 -5.872 18.640 952 1HB SER 120 1HB SER 120 8.660 -4.086 18.050 953 2HB SER 120 2HB SER 120 7.840 -4.276 19.614 954 HG SER 120 HG SER 120 9.744 -5.549 19.466 955 H ARG 121 H ARG 121 5.147 -3.861 19.359 956 HA ARG 121 HA ARG 121 3.715 -2.567 17.298 957 1HB ARG 121 1HB ARG 121 3.000 -2.808 19.688 958 2HB ARG 121 2HB ARG 121 4.172 -1.560 20.140 959 1HG ARG 121 1HG ARG 121 2.972 0.070 18.666 960 2HG ARG 121 2HG ARG 121 1.823 -1.200 18.220 961 1HD ARG 121 1HD ARG 121 1.176 -1.416 20.624 962 2HD ARG 121 2HD ARG 121 2.261 -0.086 21.029 963 HE ARG 121 HE ARG 121 -0.375 0.036 19.828 964 1HH1 ARG 121 1HH1 ARG 121 2.672 1.904 20.189 965 2HH1 ARG 121 2HH1 ARG 121 1.849 3.422 19.866 966 1HH2 ARG 121 1HH2 ARG 121 -1.331 2.190 19.446 967 2HH2 ARG 121 2HH2 ARG 121 -0.238 3.559 19.483 968 H GLU 122 H GLU 122 6.765 -1.564 18.897 969 HA GLU 122 HA GLU 122 6.830 1.047 17.795 970 1HB GLU 122 1HB GLU 122 9.218 1.015 18.260 971 2HB GLU 122 2HB GLU 122 8.281 0.389 19.615 972 1HG GLU 122 1HG GLU 122 8.861 -1.933 18.952 973 2HG GLU 122 2HG GLU 122 9.805 -1.316 17.595 974 H THR 123 H THR 123 7.507 -2.107 16.287 975 HA THR 123 HA THR 123 8.798 -0.935 13.958 976 HB THR 123 HB THR 123 7.433 -3.632 14.098 977 HG1 THR 123 1HG THR 123 9.955 -2.921 15.189 978 1HG2 THR 123 1HG2 THR 123 8.350 -3.044 11.918 979 2HG2 THR 123 2HG2 THR 123 9.910 -2.604 12.646 980 3HG2 THR 123 3HG2 THR 123 9.371 -4.293 12.653 981 H PHE 124 H PHE 124 5.421 -1.919 14.872 982 HA PHE 124 HA PHE 124 4.264 -1.297 12.309 983 1HB PHE 124 1HB PHE 124 3.121 -1.327 15.124 984 2HB PHE 124 2HB PHE 124 2.188 -0.809 13.738 985 HD1 PHE 124 HD1 PHE 124 1.175 -2.356 12.225 986 HD2 PHE 124 HD2 PHE 124 3.931 -3.748 15.235 987 HE1 PHE 124 HE1 PHE 124 0.465 -4.705 11.820 988 HE2 PHE 124 HE2 PHE 124 3.215 -6.076 14.814 989 HZ PHE 124 HZ PHE 124 1.478 -6.560 13.109 990 H ALA 125 H ALA 125 5.000 0.740 15.207 991 HA ALA 125 HA ALA 125 3.891 3.135 14.130 992 1HB ALA 125 1HB ALA 125 6.167 2.824 16.131 993 2HB ALA 125 2HB ALA 125 5.187 4.275 15.856 994 3HB ALA 125 3HB ALA 125 4.430 2.814 16.522 995 H ALA 126 H ALA 126 7.261 1.837 13.940 996 HA ALA 126 HA ALA 126 8.363 4.001 12.465 997 1HB ALA 126 1HB ALA 126 9.084 1.034 12.358 998 2HB ALA 126 2HB ALA 126 10.092 2.381 11.796 999 3HB ALA 126 3HB ALA 126 9.716 2.221 13.523 1000 H VAL 127 H VAL 127 6.815 0.949 11.289 1001 HA VAL 127 HA VAL 127 7.030 1.630 8.537 1002 HB VAL 127 HB VAL 127 5.200 -0.266 10.053 1003 1HG1 VAL 127 1HG1 VAL 127 4.019 0.285 7.982 1004 2HG1 VAL 127 2HG1 VAL 127 5.507 0.065 7.031 1005 3HG1 VAL 127 3HG1 VAL 127 4.732 -1.317 7.831 1006 1HG2 VAL 127 1HG2 VAL 127 7.591 -0.739 8.208 1007 2HG2 VAL 127 2HG2 VAL 127 7.683 -0.762 9.978 1008 3HG2 VAL 127 3HG2 VAL 127 6.718 -1.970 9.137 1009 H TYR 128 H TYR 128 4.323 2.291 10.907 1010 HA TYR 128 HA TYR 128 2.621 3.525 9.033 1011 1HB TYR 128 1HB TYR 128 1.993 2.984 11.374 1012 2HB TYR 128 2HB TYR 128 3.015 4.293 11.957 1013 HD1 TYR 128 HD1 TYR 128 -0.280 3.410 10.784 1014 HD2 TYR 128 HD2 TYR 128 2.471 6.720 11.126 1015 HE1 TYR 128 HE1 TYR 128 -2.132 5.005 10.362 1016 HE2 TYR 128 HE2 TYR 128 0.661 8.299 10.630 1017 HH TYR 128 HH TYR 128 -1.612 8.557 10.195 1018 H THR 129 H THR 129 5.364 4.955 10.916 1019 HA THR 129 HA THR 129 4.934 7.610 9.988 1020 HB THR 129 HB THR 129 7.540 6.298 10.884 1021 HG1 THR 129 1HG THR 129 5.988 5.957 12.448 1022 1HG2 THR 129 1HG2 THR 129 6.590 9.199 10.994 1023 2HG2 THR 129 2HG2 THR 129 8.087 8.571 11.723 1024 3HG2 THR 129 3HG2 THR 129 7.889 8.558 9.965 1025 H LEU 130 H LEU 130 7.033 4.967 8.680 1026 HA LEU 130 HA LEU 130 8.106 6.596 6.577 1027 1HB LEU 130 1HB LEU 130 9.186 4.602 7.497 1028 2HB LEU 130 2HB LEU 130 7.878 3.577 6.904 1029 HG LEU 130 HG LEU 130 8.522 3.891 4.622 1030 1HD1 LEU 130 1HD1 LEU 130 9.173 6.272 4.543 1031 2HD1 LEU 130 2HD1 LEU 130 10.558 5.953 5.609 1032 3HD1 LEU 130 3HD1 LEU 130 10.507 5.283 3.963 1033 1HD2 LEU 130 1HD2 LEU 130 9.838 2.310 6.031 1034 2HD2 LEU 130 2HD2 LEU 130 10.782 2.940 4.667 1035 3HD2 LEU 130 3HD2 LEU 130 11.044 3.567 6.310 1036 H LEU 131 H LEU 131 5.245 4.462 6.783 1037 HA LEU 131 HA LEU 131 4.502 4.741 4.008 1038 1HB LEU 131 1HB LEU 131 2.896 4.070 6.510 1039 2HB LEU 131 2HB LEU 131 2.196 4.129 4.897 1040 HG LEU 131 HG LEU 131 4.426 2.222 5.729 1041 1HD1 LEU 131 1HD1 LEU 131 2.634 0.522 5.579 1042 2HD1 LEU 131 2HD1 LEU 131 2.268 1.735 6.811 1043 3HD1 LEU 131 3HD1 LEU 131 1.454 1.790 5.225 1044 1HD2 LEU 131 1HD2 LEU 131 3.922 1.084 3.592 1045 2HD2 LEU 131 2HD2 LEU 131 2.844 2.422 3.140 1046 3HD2 LEU 131 3HD2 LEU 131 4.576 2.700 3.344 1047 H GLU 132 H GLU 132 3.783 6.668 6.977 1048 HA GLU 132 HA GLU 132 1.885 8.375 5.753 1049 1HB GLU 132 1HB GLU 132 2.154 8.164 8.135 1050 2HB GLU 132 2HB GLU 132 3.774 8.829 8.099 1051 1HG GLU 132 1HG GLU 132 1.285 10.349 7.228 1052 2HG GLU 132 2HG GLU 132 1.880 10.340 8.881 1053 H ARG 133 H ARG 133 5.488 8.736 6.034 1054 HA ARG 133 HA ARG 133 5.663 11.118 4.500 1055 1HB ARG 133 1HB ARG 133 7.582 8.745 4.646 1056 2HB ARG 133 2HB ARG 133 7.973 10.280 3.892 1057 1HG ARG 133 1HG ARG 133 7.315 9.928 6.848 1058 2HG ARG 133 2HG ARG 133 8.926 9.977 6.147 1059 1HD ARG 133 1HD ARG 133 8.651 12.144 6.925 1060 2HD ARG 133 2HD ARG 133 8.291 12.297 5.197 1061 HE ARG 133 HE ARG 133 5.918 11.763 6.791 1062 1HH1 ARG 133 1HH2 ARG 133 8.115 14.438 5.955 1063 2HH1 ARG 133 2HH2 ARG 133 6.959 15.663 6.320 1064 1HH2 ARG 133 1HH1 ARG 133 4.428 13.296 7.238 1065 2HH2 ARG 133 2HH1 ARG 133 4.787 15.004 7.111 1066 H SER 134 H SER 134 5.847 7.724 3.360 1067 HA SER 134 HA SER 134 6.224 8.389 0.644 1068 1HB SER 134 1HB SER 134 5.000 5.871 1.837 1069 2HB SER 134 2HB SER 134 5.741 6.027 0.232 1070 HG SER 134 HG SER 134 6.947 6.121 2.804 1071 H ALA 135 H ALA 135 3.196 7.663 2.440 1072 HA ALA 135 HA ALA 135 1.433 7.813 0.212 1073 1HB ALA 135 1HB ALA 135 -0.300 8.136 1.993 1074 2HB ALA 135 2HB ALA 135 0.773 6.762 2.340 1075 3HB ALA 135 3HB ALA 135 0.989 8.300 3.196 1076 H ARG 136 H ARG 136 2.523 10.302 2.625 1077 HA ARG 136 HA ARG 136 0.905 12.398 1.569 1078 1HB ARG 136 1HB ARG 136 2.091 12.408 3.774 1079 2HB ARG 136 2HB ARG 136 3.631 12.610 2.929 1080 1HG ARG 136 1HG ARG 136 2.808 14.762 1.976 1081 2HG ARG 136 2HG ARG 136 1.263 14.543 2.812 1082 1HD ARG 136 1HD ARG 136 3.993 14.773 4.157 1083 2HD ARG 136 2HD ARG 136 2.846 16.097 3.987 1084 HE ARG 136 HE ARG 136 2.651 13.746 5.788 1085 1HH1 ARG 136 1HH2 ARG 136 0.939 16.633 4.579 1086 2HH1 ARG 136 2HH2 ARG 136 -0.147 16.679 5.918 1087 1HH2 ARG 136 1HH1 ARG 136 1.368 13.835 7.475 1088 2HH2 ARG 136 2HH1 ARG 136 0.077 15.012 7.656 1089 H GLN 137 H GLN 137 4.169 11.182 0.645 1090 HA GLN 137 HA GLN 137 4.588 13.207 -1.322 1091 1HB GLN 137 1HB GLN 137 5.833 10.504 -0.770 1092 2HB GLN 137 2HB GLN 137 6.356 11.537 -2.119 1093 1HG GLN 137 1HG GLN 137 7.160 13.221 -0.782 1094 2HG GLN 137 2HG GLN 137 6.122 12.841 0.582 1095 1HE2 GLN 137 2HE2 GLN 137 8.473 13.462 1.335 1096 2HE2 GLN 137 1HE2 GLN 137 9.438 12.074 1.795 1097 H TRP 138 H TRP 138 3.132 9.883 -1.606 1098 HA TRP 138 HA TRP 138 2.597 10.112 -4.380 1099 1HB TRP 138 1HB TRP 138 1.341 8.519 -2.140 1100 2HB TRP 138 2HB TRP 138 0.548 8.611 -3.709 1101 HD1 TRP 138 HD1 TRP 138 3.353 6.804 -2.007 1102 HE1 TRP 138 HE1 TRP 138 4.700 5.417 -3.655 1103 HE3 TRP 138 HE3 TRP 138 1.176 8.429 -6.343 1104 HZ2 TRP 138 HZ2 TRP 138 4.930 5.159 -6.570 1105 HZ3 TRP 138 HZ3 TRP 138 1.971 7.584 -8.539 1106 HH2 TRP 138 HH2 TRP 138 3.860 5.985 -8.656 1107 H ALA 139 H ALA 139 0.663 11.303 -1.566 1108 HA ALA 139 HA ALA 139 -1.432 12.395 -3.149 1109 1HB ALA 139 1HB ALA 139 -1.604 12.036 -0.722 1110 2HB ALA 139 2HB ALA 139 -0.382 13.294 -0.429 1111 3HB ALA 139 3HB ALA 139 -1.938 13.729 -1.145 1112 H GLN 140 H GLN 140 1.661 13.833 -2.025 1113 HA GLN 140 HA GLN 140 1.331 16.440 -2.990 1114 1HB GLN 140 1HB GLN 140 3.117 15.499 -1.476 1115 2HB GLN 140 2HB GLN 140 3.910 14.808 -2.883 1116 1HG GLN 140 1HG GLN 140 3.453 17.763 -2.355 1117 2HG GLN 140 2HG GLN 140 4.939 16.876 -2.014 1118 1HE2 GLN 140 2HE2 GLN 140 4.082 19.168 -4.025 1119 2HE2 GLN 140 1HE2 GLN 140 4.831 18.648 -5.512 1120 H ALA 141 H ALA 141 2.471 13.473 -4.693 1121 HA ALA 141 HA ALA 141 3.023 14.824 -7.172 1122 1HB ALA 141 1HB ALA 141 4.030 12.672 -6.578 1123 2HB ALA 141 2HB ALA 141 2.436 11.883 -6.614 1124 3HB ALA 141 3HB ALA 141 3.121 12.560 -8.105 1125 H LEU 142 H LEU 142 0.276 12.739 -6.113 1126 HA LEU 142 HA LEU 142 -1.387 12.959 -8.335 1127 1HB LEU 142 1HB LEU 142 -1.939 12.750 -5.365 1128 2HB LEU 142 2HB LEU 142 -3.282 12.892 -6.479 1129 HG LEU 142 HG LEU 142 -1.177 10.728 -6.851 1130 1HD1 LEU 142 1HD1 LEU 142 -3.751 10.582 -5.226 1131 2HD1 LEU 142 2HD1 LEU 142 -2.709 9.202 -5.650 1132 3HD1 LEU 142 3HD1 LEU 142 -2.096 10.474 -4.585 1133 1HD2 LEU 142 1HD2 LEU 142 -3.071 9.603 -8.034 1134 2HD2 LEU 142 2HD2 LEU 142 -4.092 11.012 -7.733 1135 3HD2 LEU 142 3HD2 LEU 142 -2.665 11.150 -8.785 1136 H ASN 143 H ASN 143 -1.109 15.290 -5.638 1137 HA ASN 143 HA ASN 143 -3.118 17.093 -6.460 1138 1HB ASN 143 1HB ASN 143 -2.075 17.023 -4.213 1139 2HB ASN 143 2HB ASN 143 -0.553 17.595 -4.898 1140 1HD2 ASN 143 2HD2 ASN 143 -0.236 19.779 -4.527 1141 2HD2 ASN 143 1HD2 ASN 143 -1.505 20.970 -4.446 1142 H ALA 144 H ALA 144 -0.092 16.499 -8.032 1143 HA ALA 144 HA ALA 144 -0.314 19.014 -9.562 1144 1HB ALA 144 1HB ALA 144 2.116 19.318 -9.419 1145 2HB ALA 144 2HB ALA 144 1.409 19.301 -7.794 1146 3HB ALA 144 3HB ALA 144 2.259 17.859 -8.407 1147 H GLU 145 H GLU 145 -1.230 16.374 -10.169 1148 HA GLU 145 HA GLU 145 0.415 15.736 -12.580 1149 1HB GLU 145 1HB GLU 145 -0.882 13.942 -10.525 1150 2HB GLU 145 2HB GLU 145 -0.735 13.353 -12.173 1151 1HG GLU 145 1HG GLU 145 1.670 14.440 -10.680 1152 2HG GLU 145 2HG GLU 145 1.152 12.759 -10.567 1153 H GLN 146 H GLN 146 -1.572 17.746 -12.446 1154 HA GLN 146 HA GLN 146 -3.907 16.859 -13.882 1155 1HB GLN 146 1HB GLN 146 -2.520 19.592 -13.840 1156 2HB GLN 146 2HB GLN 146 -4.101 19.248 -14.529 1157 1HG GLN 146 1HG GLN 146 -4.584 20.222 -12.456 1158 2HG GLN 146 2HG GLN 146 -4.873 18.501 -12.227 1159 1HE2 GLN 146 2HE2 GLN 146 -4.657 18.990 -9.866 1160 2HE2 GLN 146 1HE2 GLN 146 -3.054 19.162 -9.172 1161 H VAL 147 H VAL 147 -4.304 17.199 -16.110 1162 HA VAL 147 HA VAL 147 -2.057 17.098 -17.998 1163 HB VAL 147 HB VAL 147 -3.154 14.951 -18.907 1164 1HG1 VAL 147 1HG1 VAL 147 -1.774 13.493 -17.538 1165 2HG1 VAL 147 2HG1 VAL 147 -0.917 15.016 -17.817 1166 3HG1 VAL 147 3HG1 VAL 147 -1.687 14.704 -16.246 1167 1HG2 VAL 147 1HG2 VAL 147 -5.202 14.949 -17.473 1168 2HG2 VAL 147 2HG2 VAL 147 -4.263 13.461 -17.313 1169 3HG2 VAL 147 3HG2 VAL 147 -4.191 14.693 -16.032 Start of MODEL 5 1 H MET 1 H MET 1 -5.555 9.785 -15.655 2 HA MET 1 HA MET 1 -4.825 10.753 -13.600 3 1HB MET 1 1HB MET 1 -6.724 12.289 -13.287 4 2HB MET 1 2HB MET 1 -7.814 10.930 -12.987 5 1HG MET 1 1HG MET 1 -7.092 12.112 -10.931 6 2HG MET 1 2HG MET 1 -6.708 10.398 -10.915 7 1HE MET 1 1HE MET 1 -3.839 11.922 -8.761 8 2HE MET 1 2HE MET 1 -5.550 12.395 -8.812 9 3HE MET 1 3HE MET 1 -5.099 10.674 -8.856 10 H PHE 2 H PHE 2 -4.317 9.322 -11.878 11 HA PHE 2 HA PHE 2 -5.073 6.527 -12.155 12 1HB PHE 2 1HB PHE 2 -3.488 7.962 -9.987 13 2HB PHE 2 2HB PHE 2 -3.589 6.226 -10.221 14 HD1 PHE 2 HD1 PHE 2 -1.359 8.766 -10.513 15 HD2 PHE 2 HD2 PHE 2 -3.067 5.671 -12.988 16 HE1 PHE 2 HE1 PHE 2 0.645 8.818 -11.965 17 HE2 PHE 2 HE2 PHE 2 -1.074 5.748 -14.451 18 HZ PHE 2 HZ PHE 2 0.795 7.309 -13.939 19 H ASN 3 H ASN 3 -7.459 7.307 -11.981 20 HA ASN 3 HA ASN 3 -8.534 8.376 -9.617 21 1HB ASN 3 1HB ASN 3 -9.732 8.333 -11.755 22 2HB ASN 3 2HB ASN 3 -9.852 6.573 -11.679 23 1HD2 ASN 3 2HD2 ASN 3 -11.853 5.867 -10.935 24 2HD2 ASN 3 1HD2 ASN 3 -12.855 6.738 -9.807 25 H ASN 4 H ASN 4 -7.889 4.983 -10.442 26 HA ASN 4 HA ASN 4 -8.848 4.154 -7.734 27 1HB ASN 4 1HB ASN 4 -10.383 3.504 -9.649 28 2HB ASN 4 2HB ASN 4 -9.045 2.569 -10.332 29 1HD2 ASN 4 2HD2 ASN 4 -10.149 0.464 -10.046 30 2HD2 ASN 4 1HD2 ASN 4 -10.404 -0.150 -8.444 31 H ILE 5 H ILE 5 -7.302 3.141 -6.539 32 HA ILE 5 HA ILE 5 -4.757 2.339 -7.921 33 HB ILE 5 HB ILE 5 -5.271 4.009 -5.433 34 1HG1 ILE 5 1HG1 ILE 5 -4.008 4.738 -8.110 35 2HG1 ILE 5 2HG1 ILE 5 -5.579 5.266 -7.519 36 1HG2 ILE 5 1HG2 ILE 5 -2.854 4.270 -5.141 37 2HG2 ILE 5 2HG2 ILE 5 -3.286 2.593 -5.025 38 3HG2 ILE 5 3HG2 ILE 5 -2.563 3.196 -6.534 39 1HD1 ILE 5 1HD1 ILE 5 -4.064 7.080 -7.279 40 2HD1 ILE 5 2HD1 ILE 5 -4.483 6.489 -5.659 41 3HD1 ILE 5 3HD1 ILE 5 -2.896 6.108 -6.388 42 H LEU 6 H LEU 6 -3.523 0.712 -6.899 43 HA LEU 6 HA LEU 6 -4.897 -0.811 -4.706 44 1HB LEU 6 1HB LEU 6 -4.907 -1.960 -6.960 45 2HB LEU 6 2HB LEU 6 -3.154 -1.886 -6.965 46 HG LEU 6 HG LEU 6 -3.101 -3.347 -4.949 47 1HD1 LEU 6 1HD1 LEU 6 -6.119 -3.484 -5.334 48 2HD1 LEU 6 2HD1 LEU 6 -5.175 -4.546 -4.276 49 3HD1 LEU 6 3HD1 LEU 6 -5.269 -2.817 -3.938 50 1HD2 LEU 6 1HD2 LEU 6 -4.721 -4.482 -7.269 51 2HD2 LEU 6 2HD2 LEU 6 -2.952 -4.353 -7.196 52 3HD2 LEU 6 3HD2 LEU 6 -3.799 -5.425 -6.079 53 H VAL 7 H VAL 7 -3.521 -1.470 -3.007 54 HA VAL 7 HA VAL 7 -0.602 -0.948 -3.350 55 HB VAL 7 HB VAL 7 -2.101 -0.819 -0.709 56 1HG1 VAL 7 1HG1 VAL 7 0.643 0.238 -1.550 57 2HG1 VAL 7 2HG1 VAL 7 -0.067 0.309 0.065 58 3HG1 VAL 7 3HG1 VAL 7 0.366 -1.253 -0.640 59 1HG2 VAL 7 1HG2 VAL 7 -3.006 1.034 -2.009 60 2HG2 VAL 7 2HG2 VAL 7 -1.885 1.657 -0.802 61 3HG2 VAL 7 3HG2 VAL 7 -1.376 1.539 -2.501 62 H VAL 8 H VAL 8 0.706 -2.694 -2.933 63 HA VAL 8 HA VAL 8 -0.692 -5.201 -2.103 64 HB VAL 8 HB VAL 8 1.427 -4.863 -4.255 65 1HG1 VAL 8 1HG1 VAL 8 1.367 -7.134 -3.252 66 2HG1 VAL 8 2HG1 VAL 8 -0.384 -7.221 -3.549 67 3HG1 VAL 8 3HG1 VAL 8 0.761 -7.157 -4.904 68 1HG2 VAL 8 1HG2 VAL 8 -0.450 -5.294 -5.857 69 2HG2 VAL 8 2HG2 VAL 8 -1.600 -5.144 -4.513 70 3HG2 VAL 8 3HG2 VAL 8 -0.609 -3.756 -5.035 71 H CYS 9 H CYS 9 0.309 -6.536 -0.713 72 HA CYS 9 HA CYS 9 3.199 -6.200 -0.166 73 1HB CYS 9 1HB CYS 9 0.991 -5.870 1.887 74 2HB CYS 9 2HB CYS 9 2.590 -6.475 2.367 75 HG CYS 9 HG CYS 9 2.249 -3.874 0.384 76 H VAL 10 H VAL 10 3.739 -8.242 1.554 77 HA VAL 10 HA VAL 10 3.066 -10.495 -0.145 78 HB VAL 10 HB VAL 10 5.250 -10.330 0.783 79 1HG1 VAL 10 1HG1 VAL 10 4.839 -9.181 2.931 80 2HG1 VAL 10 2HG1 VAL 10 4.101 -10.669 3.580 81 3HG1 VAL 10 3HG1 VAL 10 5.809 -10.640 3.132 82 1HG2 VAL 10 1HG2 VAL 10 3.839 -12.719 2.011 83 2HG2 VAL 10 2HG2 VAL 10 4.347 -12.569 0.315 84 3HG2 VAL 10 3HG2 VAL 10 5.561 -12.584 1.604 85 H GLY 11 H GLY 11 2.062 -9.458 3.173 86 1HA GLY 11 1HA GLY 11 0.154 -11.751 3.229 87 2HA GLY 11 2HA GLY 11 0.805 -10.873 4.608 88 H ASN 12 H ASN 12 0.077 -8.364 2.698 89 HA ASN 12 HA ASN 12 -1.556 -6.848 2.487 90 1HB ASN 12 1HB ASN 12 -2.707 -8.710 1.333 91 2HB ASN 12 2HB ASN 12 -3.517 -9.122 2.835 92 1HD2 ASN 12 2HD2 ASN 12 -3.697 -5.776 3.018 93 2HD2 ASN 12 1HD2 ASN 12 -5.224 -5.628 2.156 94 H ILE 13 H ILE 13 -2.225 -8.957 5.333 95 HA ILE 13 HA ILE 13 -4.117 -7.327 6.491 96 HB ILE 13 HB ILE 13 -3.641 -8.558 8.592 97 1HG1 ILE 13 1HG1 ILE 13 -1.380 -9.932 7.063 98 2HG1 ILE 13 2HG1 ILE 13 -1.116 -8.653 8.241 99 1HG2 ILE 13 1HG2 ILE 13 -4.283 -10.730 7.710 100 2HG2 ILE 13 2HG2 ILE 13 -5.070 -9.467 6.772 101 3HG2 ILE 13 3HG2 ILE 13 -3.667 -10.320 6.099 102 1HD1 ILE 13 1HD1 ILE 13 -0.765 -10.790 9.304 103 2HD1 ILE 13 2HD1 ILE 13 -2.214 -10.033 9.997 104 3HD1 ILE 13 3HD1 ILE 13 -2.369 -11.358 8.819 105 H CYS 14 H CYS 14 -1.030 -6.028 6.158 106 HA CYS 14 HA CYS 14 -1.399 -4.409 8.655 107 1HB CYS 14 1HB CYS 14 1.260 -5.573 7.717 108 2HB CYS 14 2HB CYS 14 1.037 -4.385 9.008 109 HG CYS 14 HG CYS 14 0.016 -7.499 8.759 110 H ARG 15 H ARG 15 1.108 -4.310 6.047 111 HA ARG 15 HA ARG 15 1.176 -1.474 6.333 112 1HB ARG 15 1HB ARG 15 2.325 -3.203 4.119 113 2HB ARG 15 2HB ARG 15 2.731 -1.521 4.458 114 1HG ARG 15 1HG ARG 15 3.571 -2.236 6.716 115 2HG ARG 15 2HG ARG 15 3.367 -3.917 6.205 116 1HD ARG 15 1HD ARG 15 5.166 -1.824 4.897 117 2HD ARG 15 2HD ARG 15 5.680 -3.186 5.892 118 HE ARG 15 HE ARG 15 4.168 -3.655 3.361 119 1HH1 ARG 15 1HH2 ARG 15 7.340 -3.945 5.026 120 2HH1 ARG 15 2HH2 ARG 15 7.878 -5.164 3.881 121 1HH2 ARG 15 2HH1 ARG 15 5.079 -5.244 1.887 122 2HH2 ARG 15 1HH1 ARG 15 6.668 -5.858 2.225 123 H SER 16 H SER 16 -0.082 -3.453 3.537 124 HA SER 16 HA SER 16 -0.468 -1.148 2.003 125 1HB SER 16 1HB SER 16 -1.994 -2.753 0.644 126 2HB SER 16 2HB SER 16 -0.255 -2.956 0.724 127 HG SER 16 HG SER 16 -1.387 -4.921 1.021 128 HA PRO 17 HA PRO 17 -5.118 -0.955 3.510 129 1HB PRO 17 1HB PRO 17 -4.555 -2.001 6.293 130 2HB PRO 17 2HB PRO 17 -6.094 -2.001 5.376 131 1HG PRO 17 1HG PRO 17 -4.591 -4.249 5.519 132 2HG PRO 17 2HG PRO 17 -5.305 -3.755 3.947 133 1HD PRO 17 1HD PRO 17 -2.478 -3.372 4.903 134 2HD PRO 17 2HD PRO 17 -3.097 -3.862 3.295 135 H THR 18 H THR 18 -2.250 -0.550 5.649 136 HA THR 18 HA THR 18 -3.291 1.784 7.004 137 HB THR 18 HB THR 18 -0.407 0.836 6.691 138 HG1 THR 18 1HG THR 18 -1.468 -0.797 7.694 139 1HG2 THR 18 1HG2 THR 18 -0.053 2.034 8.824 140 2HG2 THR 18 2HG2 THR 18 -0.554 3.145 7.542 141 3HG2 THR 18 3HG2 THR 18 -1.730 2.631 8.771 142 H ALA 19 H ALA 19 -1.112 1.241 4.151 143 HA ALA 19 HA ALA 19 -0.745 4.029 3.574 144 1HB ALA 19 1HB ALA 19 -0.214 3.167 1.258 145 2HB ALA 19 2HB ALA 19 0.740 2.430 2.568 146 3HB ALA 19 3HB ALA 19 -0.620 1.542 1.835 147 H GLU 20 H GLU 20 -3.165 1.609 2.412 148 HA GLU 20 HA GLU 20 -4.577 3.259 0.652 149 1HB GLU 20 1HB GLU 20 -4.962 0.940 0.711 150 2HB GLU 20 2HB GLU 20 -5.350 0.925 2.418 151 1HG GLU 20 1HG GLU 20 -7.191 2.538 0.705 152 2HG GLU 20 2HG GLU 20 -7.167 0.810 0.401 153 H ARG 21 H ARG 21 -5.138 2.883 4.221 154 HA ARG 21 HA ARG 21 -7.153 4.910 4.234 155 1HB ARG 21 1HB ARG 21 -5.402 3.627 6.373 156 2HB ARG 21 2HB ARG 21 -6.504 4.934 6.762 157 1HG ARG 21 1HG ARG 21 -7.307 2.263 5.571 158 2HG ARG 21 2HG ARG 21 -7.537 2.824 7.232 159 1HD ARG 21 1HD ARG 21 -8.888 4.789 6.177 160 2HD ARG 21 2HD ARG 21 -8.969 3.803 4.721 161 HE ARG 21 HE ARG 21 -10.337 3.432 7.268 162 1HH1 ARG 21 1HH2 ARG 21 -9.258 1.609 4.378 163 2HH1 ARG 21 2HH2 ARG 21 -10.093 0.171 4.860 164 1HH2 ARG 21 1HH1 ARG 21 -11.421 1.613 7.840 165 2HH2 ARG 21 2HH1 ARG 21 -11.321 0.134 6.916 166 H LEU 22 H LEU 22 -3.606 5.175 4.750 167 HA LEU 22 HA LEU 22 -3.681 7.932 5.550 168 1HB LEU 22 1HB LEU 22 -1.598 6.221 4.152 169 2HB LEU 22 2HB LEU 22 -1.314 7.914 4.545 170 HG LEU 22 HG LEU 22 -2.194 5.996 6.733 171 1HD1 LEU 22 1HD1 LEU 22 0.593 6.395 5.612 172 2HD1 LEU 22 2HD1 LEU 22 0.279 5.744 7.243 173 3HD1 LEU 22 3HD1 LEU 22 -0.296 4.885 5.805 174 1HD2 LEU 22 1HD2 LEU 22 -2.261 8.385 7.253 175 2HD2 LEU 22 2HD2 LEU 22 -0.935 7.618 8.129 176 3HD2 LEU 22 3HD2 LEU 22 -0.593 8.593 6.688 177 H LEU 23 H LEU 23 -3.565 6.362 2.332 178 HA LEU 23 HA LEU 23 -3.508 8.834 0.869 179 1HB LEU 23 1HB LEU 23 -4.365 6.019 0.130 180 2HB LEU 23 2HB LEU 23 -4.330 7.357 -1.020 181 HG LEU 23 HG LEU 23 -1.840 6.593 0.551 182 1HD1 LEU 23 1HD1 LEU 23 -2.545 4.560 -0.564 183 2HD1 LEU 23 2HD1 LEU 23 -2.764 5.430 -2.108 184 3HD1 LEU 23 3HD1 LEU 23 -1.150 5.227 -1.395 185 1HD2 LEU 23 1HD2 LEU 23 -0.675 7.638 -1.349 186 2HD2 LEU 23 2HD2 LEU 23 -2.231 8.007 -2.121 187 3HD2 LEU 23 3HD2 LEU 23 -1.781 8.781 -0.585 188 H GLN 24 H GLN 24 -6.274 6.789 2.101 189 HA GLN 24 HA GLN 24 -8.300 8.462 0.976 190 1HB GLN 24 1HB GLN 24 -8.345 6.882 3.596 191 2HB GLN 24 2HB GLN 24 -9.721 7.721 2.916 192 1HG GLN 24 1HG GLN 24 -8.329 5.317 1.707 193 2HG GLN 24 2HG GLN 24 -9.924 5.381 2.431 194 1HE2 GLN 24 2HE2 GLN 24 -8.035 6.012 -0.388 195 2HE2 GLN 24 1HE2 GLN 24 -9.292 6.710 -1.418 196 H ARG 25 H ARG 25 -6.404 8.830 4.023 197 HA ARG 25 HA ARG 25 -7.898 11.018 4.987 198 1HB ARG 25 1HB ARG 25 -6.217 9.653 6.268 199 2HB ARG 25 2HB ARG 25 -4.919 10.514 5.427 200 1HG ARG 25 1HG ARG 25 -5.714 12.667 6.384 201 2HG ARG 25 2HG ARG 25 -7.071 11.822 7.144 202 1HD ARG 25 1HD ARG 25 -5.427 12.138 8.840 203 2HD ARG 25 2HD ARG 25 -5.426 10.420 8.415 204 HE ARG 25 HE ARG 25 -3.466 12.069 6.989 205 1HH1 ARG 25 1HH2 ARG 25 -4.026 10.106 9.905 206 2HH1 ARG 25 2HH2 ARG 25 -2.354 9.699 10.110 207 1HH2 ARG 25 1HH1 ARG 25 -1.214 11.691 7.418 208 2HH2 ARG 25 2HH1 ARG 25 -0.748 10.826 8.852 209 H TYR 26 H TYR 26 -4.913 11.020 2.933 210 HA TYR 26 HA TYR 26 -4.955 13.899 2.712 211 1HB TYR 26 1HB TYR 26 -3.464 11.810 1.082 212 2HB TYR 26 2HB TYR 26 -3.164 13.544 1.044 213 HD1 TYR 26 HD1 TYR 26 -3.030 14.511 3.722 214 HD2 TYR 26 HD2 TYR 26 -1.712 10.693 2.193 215 HE1 TYR 26 HE1 TYR 26 -1.437 14.314 5.601 216 HE2 TYR 26 HE2 TYR 26 -0.098 10.508 4.062 217 HH TYR 26 HH TYR 26 0.809 11.530 5.916 218 H HIS 27 H HIS 27 -6.313 11.292 0.713 219 HA HIS 27 HA HIS 27 -7.497 13.273 -1.162 220 1HB HIS 27 1HB HIS 27 -5.823 10.818 -1.822 221 2HB HIS 27 2HB HIS 27 -6.942 11.561 -2.956 222 HD1 HIS 27 HD1 HIS 27 -5.541 14.516 -1.462 223 HD2 HIS 27 HD2 HIS 27 -4.200 11.511 -4.085 224 HE1 HIS 27 HE1 HIS 27 -3.745 15.581 -2.927 225 HA PRO 28 HA PRO 28 -10.567 10.141 0.388 226 1HB PRO 28 1HB PRO 28 -12.630 11.872 0.951 227 2HB PRO 28 2HB PRO 28 -11.316 11.482 2.101 228 1HG PRO 28 1HG PRO 28 -11.530 13.879 0.258 229 2HG PRO 28 2HG PRO 28 -11.109 13.855 2.000 230 1HD PRO 28 1HD PRO 28 -9.204 13.977 0.057 231 2HD PRO 28 2HD PRO 28 -8.939 13.042 1.559 232 H GLU 29 H GLU 29 -10.525 12.690 -2.031 233 HA GLU 29 HA GLU 29 -12.894 11.788 -3.458 234 1HB GLU 29 1HB GLU 29 -10.603 13.638 -4.264 235 2HB GLU 29 2HB GLU 29 -12.111 13.443 -5.155 236 1HG GLU 29 1HG GLU 29 -11.834 14.586 -2.345 237 2HG GLU 29 2HG GLU 29 -12.110 15.492 -3.822 238 H LEU 30 H LEU 30 -10.027 10.162 -3.066 239 HA LEU 30 HA LEU 30 -9.933 9.174 -5.877 240 1HB LEU 30 1HB LEU 30 -8.004 10.721 -4.932 241 2HB LEU 30 2HB LEU 30 -7.556 9.294 -3.999 242 HG LEU 30 HG LEU 30 -7.395 8.037 -6.230 243 1HD1 LEU 30 1HD1 LEU 30 -7.108 9.499 -8.253 244 2HD1 LEU 30 2HD1 LEU 30 -8.766 9.545 -7.643 245 3HD1 LEU 30 3HD1 LEU 30 -7.665 10.894 -7.312 246 1HD2 LEU 30 1HD2 LEU 30 -5.214 9.062 -6.803 247 2HD2 LEU 30 2HD2 LEU 30 -5.619 10.492 -5.832 248 3HD2 LEU 30 3HD2 LEU 30 -5.406 8.908 -5.049 249 H LYS 31 H LYS 31 -9.503 6.823 -6.048 250 HA LYS 31 HA LYS 31 -10.633 5.526 -3.608 251 1HB LYS 31 1HB LYS 31 -12.021 5.331 -5.653 252 2HB LYS 31 2HB LYS 31 -10.654 4.642 -6.524 253 1HG LYS 31 1HG LYS 31 -12.137 2.855 -5.879 254 2HG LYS 31 2HG LYS 31 -10.638 2.695 -4.975 255 1HD LYS 31 1HD LYS 31 -11.784 3.775 -2.977 256 2HD LYS 31 2HD LYS 31 -13.261 3.880 -3.933 257 1HE LYS 31 1HE LYS 31 -13.352 1.973 -2.421 258 2HE LYS 31 2HE LYS 31 -13.356 1.419 -4.098 259 1HZ LYS 31 1HZ LYS 31 -10.934 1.467 -2.364 260 2HZ LYS 31 2HZ LYS 31 -11.842 0.140 -2.628 261 3HZ LYS 31 3HZ LYS 31 -11.050 0.837 -3.878 262 H VAL 32 H VAL 32 -9.395 4.004 -2.575 263 HA VAL 32 HA VAL 32 -7.091 2.844 -4.017 264 HB VAL 32 HB VAL 32 -6.884 3.868 -1.162 265 1HG1 VAL 32 1HG1 VAL 32 -4.822 2.824 -3.159 266 2HG1 VAL 32 2HG1 VAL 32 -4.427 3.542 -1.590 267 3HG1 VAL 32 3HG1 VAL 32 -5.337 2.035 -1.654 268 1HG2 VAL 32 1HG2 VAL 32 -5.858 5.216 -3.695 269 2HG2 VAL 32 2HG2 VAL 32 -7.044 5.868 -2.553 270 3HG2 VAL 32 3HG2 VAL 32 -5.375 5.635 -2.051 271 H GLU 33 H GLU 33 -6.660 0.704 -3.400 272 HA GLU 33 HA GLU 33 -8.248 -0.484 -1.170 273 1HB GLU 33 1HB GLU 33 -9.298 -0.686 -3.578 274 2HB GLU 33 2HB GLU 33 -7.981 -1.814 -3.887 275 1HG GLU 33 1HG GLU 33 -10.017 -2.997 -3.286 276 2HG GLU 33 2HG GLU 33 -8.814 -3.265 -2.043 277 H SER 34 H SER 34 -7.322 -3.028 -1.152 278 HA SER 34 HA SER 34 -4.476 -3.030 -1.795 279 1HB SER 34 1HB SER 34 -5.394 -3.618 1.037 280 2HB SER 34 2HB SER 34 -3.760 -3.714 0.418 281 HG SER 34 HG SER 34 -4.607 -1.313 -0.216 282 H ALA 35 H ALA 35 -3.451 -5.081 -1.581 283 HA ALA 35 HA ALA 35 -5.099 -7.475 -1.240 284 1HB ALA 35 1HB ALA 35 -5.498 -6.908 -3.639 285 2HB ALA 35 2HB ALA 35 -3.737 -6.901 -3.916 286 3HB ALA 35 3HB ALA 35 -4.576 -8.400 -3.450 287 H GLY 36 H GLY 36 -3.422 -9.446 -1.717 288 1HA GLY 36 1HA GLY 36 -0.655 -8.574 -1.616 289 2HA GLY 36 2HA GLY 36 -1.171 -9.451 -0.173 290 H LEU 37 H LEU 37 0.931 -10.271 -1.592 291 HA LEU 37 HA LEU 37 0.440 -11.895 -3.884 292 1HB LEU 37 1HB LEU 37 2.715 -12.122 -1.875 293 2HB LEU 37 2HB LEU 37 2.721 -12.708 -3.532 294 HG LEU 37 HG LEU 37 2.593 -9.770 -2.707 295 1HD1 LEU 37 1HD1 LEU 37 4.748 -10.857 -2.175 296 2HD1 LEU 37 2HD1 LEU 37 4.885 -11.381 -3.872 297 3HD1 LEU 37 3HD1 LEU 37 4.890 -9.650 -3.457 298 1HD2 LEU 37 1HD2 LEU 37 3.103 -9.310 -5.101 299 2HD2 LEU 37 2HD2 LEU 37 2.901 -11.038 -5.464 300 3HD2 LEU 37 3HD2 LEU 37 1.525 -10.066 -4.885 301 H GLY 38 H GLY 38 0.601 -12.649 -0.412 302 1HA GLY 38 1HA GLY 38 -0.744 -15.263 -0.882 303 2HA GLY 38 2HA GLY 38 0.742 -15.193 0.100 304 H ALA 39 H ALA 39 -2.256 -13.269 -0.359 305 HA ALA 39 HA ALA 39 -2.095 -12.099 2.291 306 1HB ALA 39 1HB ALA 39 -4.404 -12.178 0.336 307 2HB ALA 39 2HB ALA 39 -4.215 -11.030 1.662 308 3HB ALA 39 3HB ALA 39 -3.101 -10.963 0.283 309 H LEU 40 H LEU 40 -4.012 -12.118 3.737 310 HA LEU 40 HA LEU 40 -4.941 -14.914 4.210 311 1HB LEU 40 1HB LEU 40 -4.638 -12.567 6.119 312 2HB LEU 40 2HB LEU 40 -5.375 -14.122 6.489 313 HG LEU 40 HG LEU 40 -3.145 -15.220 5.851 314 1HD1 LEU 40 1HD1 LEU 40 -1.125 -13.797 6.300 315 2HD1 LEU 40 2HD1 LEU 40 -1.939 -13.352 4.808 316 3HD1 LEU 40 3HD1 LEU 40 -2.157 -12.354 6.259 317 1HD2 LEU 40 1HD2 LEU 40 -3.329 -13.445 8.319 318 2HD2 LEU 40 2HD2 LEU 40 -4.008 -15.076 8.144 319 3HD2 LEU 40 3HD2 LEU 40 -2.256 -14.847 8.127 320 H VAL 41 H VAL 41 -6.522 -14.668 2.552 321 HA VAL 41 HA VAL 41 -8.326 -12.678 2.150 322 HB VAL 41 HB VAL 41 -9.059 -15.623 1.988 323 1HG1 VAL 41 1HG1 VAL 41 -10.907 -14.049 1.499 324 2HG1 VAL 41 2HG1 VAL 41 -9.893 -13.208 0.308 325 3HG1 VAL 41 3HG1 VAL 41 -10.392 -14.892 0.038 326 1HG2 VAL 41 1HG2 VAL 41 -6.896 -15.469 0.906 327 2HG2 VAL 41 2HG2 VAL 41 -8.126 -15.521 -0.350 328 3HG2 VAL 41 3HG2 VAL 41 -7.365 -13.973 0.071 329 H GLY 42 H GLY 42 -9.840 -11.665 3.312 330 1HA GLY 42 1HA GLY 42 -11.644 -11.323 4.654 331 2HA GLY 42 2HA GLY 42 -11.851 -13.073 4.776 332 H LYS 43 H LYS 43 -8.696 -12.196 5.882 333 HA LYS 43 HA LYS 43 -9.472 -13.013 8.537 334 1HB LYS 43 1HB LYS 43 -7.384 -13.585 7.296 335 2HB LYS 43 2HB LYS 43 -6.765 -11.961 7.605 336 1HG LYS 43 1HG LYS 43 -7.719 -13.553 9.979 337 2HG LYS 43 2HG LYS 43 -6.314 -14.188 9.133 338 1HD LYS 43 1HD LYS 43 -5.061 -12.129 9.475 339 2HD LYS 43 2HD LYS 43 -6.457 -11.355 10.246 340 1HE LYS 43 1HE LYS 43 -6.461 -13.146 11.991 341 2HE LYS 43 2HE LYS 43 -5.036 -13.871 11.238 342 1HZ LYS 43 1HZ LYS 43 -3.812 -11.836 11.753 343 2HZ LYS 43 2HZ LYS 43 -5.142 -11.163 12.442 344 3HZ LYS 43 3HZ LYS 43 -4.446 -12.474 13.110 345 H GLY 44 H GLY 44 -9.523 -9.856 7.139 346 1HA GLY 44 1HA GLY 44 -9.960 -7.831 8.159 347 2HA GLY 44 2HA GLY 44 -9.721 -8.555 9.752 348 H ALA 45 H ALA 45 -8.591 -6.121 9.340 349 HA ALA 45 HA ALA 45 -5.789 -6.355 8.530 350 1HB ALA 45 1HB ALA 45 -7.307 -4.166 10.019 351 2HB ALA 45 2HB ALA 45 -5.607 -4.073 9.513 352 3HB ALA 45 3HB ALA 45 -6.888 -4.192 8.295 353 H ASP 46 H ASP 46 -4.039 -6.021 10.092 354 HA ASP 46 HA ASP 46 -4.281 -7.863 12.314 355 1HB ASP 46 1HB ASP 46 -2.211 -7.667 11.008 356 2HB ASP 46 2HB ASP 46 -2.003 -5.998 11.572 357 HA PRO 47 HA PRO 47 -5.816 -4.840 15.241 358 1HB PRO 47 1HB PRO 47 -4.260 -6.540 17.200 359 2HB PRO 47 2HB PRO 47 -5.900 -5.836 17.377 360 1HG PRO 47 1HG PRO 47 -5.617 -8.433 16.671 361 2HG PRO 47 2HG PRO 47 -6.819 -7.407 15.822 362 1HD PRO 47 1HD PRO 47 -4.066 -8.234 14.900 363 2HD PRO 47 2HD PRO 47 -5.597 -8.126 13.975 364 H THR 48 H THR 48 -2.309 -5.506 15.003 365 HA THR 48 HA THR 48 -1.626 -3.367 16.880 366 HB THR 48 HB THR 48 0.377 -4.409 14.909 367 HG1 THR 48 1HG THR 48 -0.685 -6.231 15.323 368 1HG2 THR 48 1HG2 THR 48 0.431 -4.010 17.936 369 2HG2 THR 48 2HG2 THR 48 1.814 -4.475 16.920 370 3HG2 THR 48 3HG2 THR 48 1.065 -2.881 16.715 371 H ALA 49 H ALA 49 -1.856 -3.861 13.331 372 HA ALA 49 HA ALA 49 -0.897 -1.251 12.582 373 1HB ALA 49 1HB ALA 49 -1.987 -1.799 10.419 374 2HB ALA 49 2HB ALA 49 -0.992 -3.149 11.002 375 3HB ALA 49 3HB ALA 49 -2.756 -3.220 11.161 376 H ILE 50 H ILE 50 -4.171 -2.658 13.159 377 HA ILE 50 HA ILE 50 -5.660 -0.303 12.657 378 HB ILE 50 HB ILE 50 -6.234 -2.479 14.688 379 1HG1 ILE 50 1HG1 ILE 50 -7.213 -2.253 11.800 380 2HG1 ILE 50 2HG1 ILE 50 -5.960 -3.348 12.332 381 1HG2 ILE 50 1HG2 ILE 50 -8.617 -1.770 14.501 382 2HG2 ILE 50 2HG2 ILE 50 -7.623 -0.453 15.075 383 3HG2 ILE 50 3HG2 ILE 50 -8.134 -0.478 13.377 384 1HD1 ILE 50 1HD1 ILE 50 -7.632 -4.435 13.895 385 2HD1 ILE 50 2HD1 ILE 50 -8.895 -3.465 13.095 386 3HD1 ILE 50 3HD1 ILE 50 -7.959 -4.633 12.167 387 H SER 51 H SER 51 -4.220 -1.485 15.781 388 HA SER 51 HA SER 51 -5.196 0.639 17.346 389 1HB SER 51 1HB SER 51 -2.632 -0.962 17.706 390 2HB SER 51 2HB SER 51 -3.433 0.015 18.952 391 HG SER 51 HG SER 51 -4.377 -2.335 17.663 392 H VAL 52 H VAL 52 -2.020 0.387 15.596 393 HA VAL 52 HA VAL 52 -1.097 2.921 16.555 394 HB VAL 52 HB VAL 52 -0.305 1.148 14.218 395 1HG1 VAL 52 1HG1 VAL 52 1.750 2.461 13.998 396 2HG1 VAL 52 2HG1 VAL 52 0.349 3.454 13.606 397 3HG1 VAL 52 3HG1 VAL 52 1.151 3.652 15.179 398 1HG2 VAL 52 1HG2 VAL 52 1.689 0.745 15.694 399 2HG2 VAL 52 2HG2 VAL 52 0.974 1.790 16.927 400 3HG2 VAL 52 3HG2 VAL 52 0.186 0.265 16.486 401 H ALA 53 H ALA 53 -3.079 2.040 13.642 402 HA ALA 53 HA ALA 53 -2.940 4.736 12.580 403 1HB ALA 53 1HB ALA 53 -4.889 2.455 12.134 404 2HB ALA 53 2HB ALA 53 -4.842 3.949 11.174 405 3HB ALA 53 3HB ALA 53 -3.453 2.846 11.151 406 H ALA 54 H ALA 54 -5.321 2.972 14.647 407 HA ALA 54 HA ALA 54 -7.140 5.124 14.937 408 1HB ALA 54 1HB ALA 54 -7.937 3.902 16.911 409 2HB ALA 54 2HB ALA 54 -7.672 2.796 15.547 410 3HB ALA 54 3HB ALA 54 -6.493 2.869 16.882 411 H GLU 55 H GLU 55 -4.081 4.418 16.765 412 HA GLU 55 HA GLU 55 -4.449 6.396 18.740 413 1HB GLU 55 1HB GLU 55 -2.675 4.599 18.649 414 2HB GLU 55 2HB GLU 55 -1.851 5.530 17.400 415 1HG GLU 55 1HG GLU 55 -0.758 5.944 19.464 416 2HG GLU 55 2HG GLU 55 -1.597 7.420 19.012 417 H HIS 56 H HIS 56 -3.347 6.638 15.372 418 HA HIS 56 HA HIS 56 -3.009 9.565 15.491 419 1HB HIS 56 1HB HIS 56 -2.628 7.426 13.382 420 2HB HIS 56 2HB HIS 56 -2.613 9.139 12.975 421 HD1 HIS 56 HD1 HIS 56 -0.404 10.474 13.449 422 HD2 HIS 56 HD2 HIS 56 -0.599 6.677 15.254 423 HE1 HIS 56 HE1 HIS 56 1.881 10.053 14.484 424 H GLN 57 H GLN 57 -5.681 7.853 15.795 425 HA GLN 57 HA GLN 57 -7.853 8.132 15.345 426 1HB GLN 57 1HB GLN 57 -7.056 11.007 14.762 427 2HB GLN 57 2HB GLN 57 -8.681 10.451 15.141 428 1HG GLN 57 1HG GLN 57 -6.331 10.138 17.067 429 2HG GLN 57 2HG GLN 57 -7.409 11.523 17.040 430 1HE2 GLN 57 1HE2 GLN 57 -7.330 7.948 17.590 431 2HE2 GLN 57 2HE2 GLN 57 -8.769 7.938 18.578 432 H LEU 58 H LEU 58 -6.286 7.100 13.155 433 HA LEU 58 HA LEU 58 -7.947 7.977 10.846 434 1HB LEU 58 1HB LEU 58 -5.253 7.346 10.964 435 2HB LEU 58 2HB LEU 58 -5.949 5.799 10.500 436 HG LEU 58 HG LEU 58 -6.253 8.466 9.079 437 1HD1 LEU 58 1HD1 LEU 58 -4.881 5.881 8.240 438 2HD1 LEU 58 2HD1 LEU 58 -4.992 7.384 7.290 439 3HD1 LEU 58 3HD1 LEU 58 -4.076 7.358 8.802 440 1HD2 LEU 58 1HD2 LEU 58 -8.357 7.431 8.684 441 2HD2 LEU 58 2HD2 LEU 58 -7.394 7.115 7.254 442 3HD2 LEU 58 3HD2 LEU 58 -7.622 5.827 8.469 443 H SER 59 H SER 59 -9.684 6.721 10.295 444 HA SER 59 HA SER 59 -10.488 4.587 12.018 445 1HB SER 59 1HB SER 59 -11.773 5.595 9.444 446 2HB SER 59 2HB SER 59 -12.561 4.699 10.756 447 HG SER 59 HG SER 59 -12.936 6.958 10.891 448 H LEU 60 H LEU 60 -8.564 3.150 11.504 449 HA LEU 60 HA LEU 60 -8.728 1.695 8.924 450 1HB LEU 60 1HB LEU 60 -6.566 2.509 9.710 451 2HB LEU 60 2HB LEU 60 -6.764 1.653 11.238 452 HG LEU 60 HG LEU 60 -6.346 -0.446 10.284 453 1HD1 LEU 60 1HD1 LEU 60 -6.389 0.778 7.471 454 2HD1 LEU 60 2HD1 LEU 60 -6.092 -0.919 7.886 455 3HD1 LEU 60 3HD1 LEU 60 -7.693 -0.237 8.135 456 1HD2 LEU 60 1HD2 LEU 60 -4.331 0.747 10.593 457 2HD2 LEU 60 2HD2 LEU 60 -4.176 -0.177 9.109 458 3HD2 LEU 60 3HD2 LEU 60 -4.482 1.572 9.025 459 H GLU 61 H GLU 61 -10.748 1.605 11.328 460 HA GLU 61 HA GLU 61 -10.452 -0.606 12.856 461 1HB GLU 61 1HB GLU 61 -12.832 -0.485 13.298 462 2HB GLU 61 2HB GLU 61 -12.126 1.124 13.182 463 1HG GLU 61 1HG GLU 61 -13.008 1.343 10.856 464 2HG GLU 61 2HG GLU 61 -13.717 -0.269 10.977 465 H GLY 62 H GLY 62 -11.232 -0.920 9.437 466 1HA GLY 62 1HA GLY 62 -10.773 -3.723 9.689 467 2HA GLY 62 2HA GLY 62 -12.461 -3.394 9.257 468 H HIS 63 H HIS 63 -10.236 -4.592 7.788 469 HA HIS 63 HA HIS 63 -10.836 -3.413 5.195 470 1HB HIS 63 1HB HIS 63 -8.709 -2.280 5.719 471 2HB HIS 63 2HB HIS 63 -7.969 -3.815 6.176 472 HD1 HIS 63 HD1 HIS 63 -8.359 -1.620 3.144 473 HD2 HIS 63 HD2 HIS 63 -7.652 -5.672 4.099 474 HE1 HIS 63 HE1 HIS 63 -7.633 -2.740 1.023 475 H CYS 64 H CYS 64 -11.522 -5.201 4.035 476 HA CYS 64 HA CYS 64 -10.976 -7.909 4.970 477 1HB CYS 64 1HB CYS 64 -12.236 -6.860 2.393 478 2HB CYS 64 2HB CYS 64 -12.161 -8.560 2.877 479 HG CYS 64 HG CYS 64 -13.529 -6.034 4.554 480 H ALA 65 H ALA 65 -8.791 -8.515 4.834 481 HA ALA 65 HA ALA 65 -7.100 -7.823 2.619 482 1HB ALA 65 1HB ALA 65 -6.955 -9.995 4.754 483 2HB ALA 65 2HB ALA 65 -5.680 -9.710 3.558 484 3HB ALA 65 3HB ALA 65 -6.095 -8.441 4.728 485 H ARG 66 H ARG 66 -6.351 -9.283 0.913 486 HA ARG 66 HA ARG 66 -8.026 -11.589 0.186 487 1HB ARG 66 1HB ARG 66 -9.092 -10.568 -1.729 488 2HB ARG 66 2HB ARG 66 -9.498 -9.636 -0.298 489 1HG ARG 66 1HG ARG 66 -7.416 -8.125 -1.081 490 2HG ARG 66 2HG ARG 66 -7.726 -8.907 -2.633 491 1HD ARG 66 1HD ARG 66 -8.982 -6.939 -2.724 492 2HD ARG 66 2HD ARG 66 -10.200 -8.159 -2.294 493 HE ARG 66 HE ARG 66 -9.193 -7.173 0.133 494 1HH1 ARG 66 1HH2 ARG 66 -11.112 -5.865 -2.538 495 2HH1 ARG 66 2HH2 ARG 66 -11.567 -4.443 -1.676 496 1HH2 ARG 66 1HH1 ARG 66 -9.562 -5.243 1.160 497 2HH2 ARG 66 2HH1 ARG 66 -10.366 -3.919 0.349 498 H GLN 67 H GLN 67 -7.028 -12.791 -1.544 499 HA GLN 67 HA GLN 67 -4.223 -12.087 -1.946 500 1HB GLN 67 1HB GLN 67 -5.052 -14.473 -1.575 501 2HB GLN 67 2HB GLN 67 -5.737 -14.402 -3.215 502 1HG GLN 67 1HG GLN 67 -3.451 -13.880 -4.107 503 2HG GLN 67 2HG GLN 67 -2.813 -13.905 -2.467 504 1HE2 GLN 67 2HE2 GLN 67 -1.294 -15.425 -3.483 505 2HE2 GLN 67 1HE2 GLN 67 -1.737 -17.123 -3.586 506 H ILE 68 H ILE 68 -3.285 -11.348 -3.691 507 HA ILE 68 HA ILE 68 -4.856 -9.838 -5.535 508 HB ILE 68 HB ILE 68 -2.531 -9.352 -4.719 509 1HG1 ILE 68 1HG1 ILE 68 -2.797 -9.370 -7.760 510 2HG1 ILE 68 2HG1 ILE 68 -3.695 -8.272 -6.704 511 1HG2 ILE 68 1HG2 ILE 68 -1.583 -11.649 -5.063 512 2HG2 ILE 68 2HG2 ILE 68 -1.579 -11.335 -6.807 513 3HG2 ILE 68 3HG2 ILE 68 -0.602 -10.332 -5.712 514 1HD1 ILE 68 1HD1 ILE 68 -1.565 -7.380 -5.820 515 2HD1 ILE 68 2HD1 ILE 68 -0.669 -8.398 -6.975 516 3HD1 ILE 68 3HD1 ILE 68 -1.754 -7.123 -7.564 517 H SER 69 H SER 69 -5.147 -10.170 -7.723 518 HA SER 69 HA SER 69 -4.562 -12.804 -8.920 519 1HB SER 69 1HB SER 69 -6.902 -13.034 -9.632 520 2HB SER 69 2HB SER 69 -6.830 -12.893 -7.857 521 HG SER 69 HG SER 69 -8.439 -11.560 -8.655 522 H ARG 70 H ARG 70 -4.770 -12.553 -11.428 523 HA ARG 70 HA ARG 70 -3.780 -9.969 -12.232 524 1HB ARG 70 1HB ARG 70 -3.305 -12.055 -13.509 525 2HB ARG 70 2HB ARG 70 -4.994 -12.089 -14.055 526 1HG ARG 70 1HG ARG 70 -4.703 -9.870 -15.119 527 2HG ARG 70 2HG ARG 70 -3.045 -9.766 -14.524 528 1HD ARG 70 1HD ARG 70 -4.068 -11.886 -16.460 529 2HD ARG 70 2HD ARG 70 -3.329 -10.353 -16.926 530 HE ARG 70 HE ARG 70 -1.676 -11.938 -15.117 531 1HH1 ARG 70 1HH2 ARG 70 -2.245 -11.063 -18.545 532 2HH1 ARG 70 2HH2 ARG 70 -1.010 -12.120 -19.126 533 1HH2 ARG 70 1HH1 ARG 70 0.093 -13.044 -15.875 534 2HH2 ARG 70 2HH1 ARG 70 0.395 -13.257 -17.575 535 H ARG 71 H ARG 71 -7.095 -11.352 -12.061 536 HA ARG 71 HA ARG 71 -8.387 -9.223 -13.393 537 1HB ARG 71 1HB ARG 71 -9.395 -11.414 -12.651 538 2HB ARG 71 2HB ARG 71 -9.485 -10.795 -11.003 539 1HG ARG 71 1HG ARG 71 -10.738 -9.333 -13.363 540 2HG ARG 71 2HG ARG 71 -11.568 -10.667 -12.579 541 1HD ARG 71 1HD ARG 71 -11.811 -9.534 -10.525 542 2HD ARG 71 2HD ARG 71 -10.660 -8.277 -10.929 543 HE ARG 71 HE ARG 71 -13.448 -8.422 -11.669 544 1HH1 ARG 71 1HH2 ARG 71 -10.317 -6.923 -12.566 545 2HH1 ARG 71 2HH2 ARG 71 -11.062 -5.699 -13.535 546 1HH2 ARG 71 1HH1 ARG 71 -14.387 -6.720 -12.871 547 2HH2 ARG 71 2HH1 ARG 71 -13.408 -5.531 -13.639 548 H LEU 72 H LEU 72 -7.365 -9.491 -9.925 549 HA LEU 72 HA LEU 72 -8.360 -6.880 -9.246 550 1HB LEU 72 1HB LEU 72 -6.280 -8.704 -8.024 551 2HB LEU 72 2HB LEU 72 -6.468 -7.054 -7.437 552 HG LEU 72 HG LEU 72 -8.864 -8.889 -7.657 553 1HD1 LEU 72 1HD1 LEU 72 -7.233 -10.074 -6.265 554 2HD1 LEU 72 2HD1 LEU 72 -6.979 -8.618 -5.270 555 3HD1 LEU 72 3HD1 LEU 72 -8.544 -9.462 -5.258 556 1HD2 LEU 72 1HD2 LEU 72 -9.359 -6.509 -7.296 557 2HD2 LEU 72 2HD2 LEU 72 -9.786 -7.465 -5.879 558 3HD2 LEU 72 3HD2 LEU 72 -8.294 -6.503 -5.858 559 H CYS 73 H CYS 73 -5.061 -7.982 -10.369 560 HA CYS 73 HA CYS 73 -3.851 -5.479 -10.349 561 1HB CYS 73 1HB CYS 73 -3.549 -7.589 -12.532 562 2HB CYS 73 2HB CYS 73 -2.434 -6.263 -12.197 563 HG CYS 73 HG CYS 73 -3.328 -8.742 -10.164 564 H ARG 74 H ARG 74 -5.999 -6.791 -12.964 565 HA ARG 74 HA ARG 74 -5.820 -4.439 -14.601 566 1HB ARG 74 1HB ARG 74 -7.860 -6.693 -14.410 567 2HB ARG 74 2HB ARG 74 -7.918 -5.434 -15.644 568 1HG ARG 74 1HG ARG 74 -5.791 -6.108 -16.581 569 2HG ARG 74 2HG ARG 74 -5.515 -7.278 -15.277 570 1HD ARG 74 1HD ARG 74 -7.491 -8.561 -15.960 571 2HD ARG 74 2HD ARG 74 -7.838 -7.386 -17.247 572 HE ARG 74 HE ARG 74 -5.289 -8.137 -17.847 573 1HH1 ARG 74 1HH2 ARG 74 -8.330 -9.942 -17.413 574 2HH1 ARG 74 2HH2 ARG 74 -7.861 -11.239 -18.445 575 1HH2 ARG 74 1HH1 ARG 74 -4.629 -9.878 -19.122 576 2HH2 ARG 74 2HH1 ARG 74 -5.725 -11.180 -19.489 577 H ASN 75 H ASN 75 -7.797 -5.117 -11.744 578 HA ASN 75 HA ASN 75 -9.954 -3.403 -12.450 579 1HB ASN 75 1HB ASN 75 -10.046 -5.259 -10.742 580 2HB ASN 75 2HB ASN 75 -9.089 -4.249 -9.667 581 1HD2 ASN 75 2HD2 ASN 75 -10.458 -3.354 -8.098 582 2HD2 ASN 75 1HD2 ASN 75 -12.065 -2.763 -8.426 583 H TYR 76 H TYR 76 -6.785 -2.607 -11.192 584 HA TYR 76 HA TYR 76 -7.740 0.158 -10.559 585 1HB TYR 76 1HB TYR 76 -5.357 -1.092 -9.199 586 2HB TYR 76 2HB TYR 76 -6.265 0.354 -8.760 587 HD1 TYR 76 HD1 TYR 76 -8.105 0.236 -7.237 588 HD2 TYR 76 HD2 TYR 76 -6.355 -3.364 -8.765 589 HE1 TYR 76 HE1 TYR 76 -9.676 -1.095 -5.866 590 HE2 TYR 76 HE2 TYR 76 -7.818 -4.714 -7.338 591 HH TYR 76 HH TYR 76 -9.629 -4.690 -5.827 592 H ASP 77 H ASP 77 -5.917 1.807 -10.891 593 HA ASP 77 HA ASP 77 -4.570 1.056 -13.454 594 1HB ASP 77 1HB ASP 77 -6.558 2.574 -13.526 595 2HB ASP 77 2HB ASP 77 -5.627 3.761 -12.607 596 H LEU 78 H LEU 78 -3.670 1.641 -10.324 597 HA LEU 78 HA LEU 78 -0.946 2.100 -11.196 598 1HB LEU 78 1HB LEU 78 -2.155 4.392 -10.638 599 2HB LEU 78 2HB LEU 78 -1.989 3.899 -8.968 600 HG LEU 78 HG LEU 78 -0.282 5.487 -9.861 601 1HD1 LEU 78 1HD1 LEU 78 0.975 2.897 -8.880 602 2HD1 LEU 78 2HD1 LEU 78 1.654 4.532 -8.790 603 3HD1 LEU 78 3HD1 LEU 78 0.204 4.148 -7.872 604 1HD2 LEU 78 1HD2 LEU 78 1.380 4.926 -11.405 605 2HD2 LEU 78 2HD2 LEU 78 1.026 3.184 -11.339 606 3HD2 LEU 78 3HD2 LEU 78 -0.101 4.305 -12.131 607 H ILE 79 H ILE 79 0.360 0.802 -9.895 608 HA ILE 79 HA ILE 79 -1.058 -0.612 -7.673 609 HB ILE 79 HB ILE 79 0.893 -1.841 -9.641 610 1HG1 ILE 79 1HG1 ILE 79 -1.015 -1.194 -11.007 611 2HG1 ILE 79 2HG1 ILE 79 -0.861 -2.926 -10.847 612 1HG2 ILE 79 1HG2 ILE 79 -1.022 -3.018 -7.595 613 2HG2 ILE 79 2HG2 ILE 79 -0.114 -3.963 -8.792 614 3HG2 ILE 79 3HG2 ILE 79 0.749 -3.036 -7.552 615 1HD1 ILE 79 1HD1 ILE 79 -3.207 -2.157 -10.765 616 2HD1 ILE 79 2HD1 ILE 79 -2.747 -3.028 -9.294 617 3HD1 ILE 79 3HD1 ILE 79 -2.870 -1.253 -9.282 618 H LEU 80 H LEU 80 -0.079 -0.022 -5.826 619 HA LEU 80 HA LEU 80 2.791 0.722 -5.849 620 1HB LEU 80 1HB LEU 80 0.646 0.950 -3.703 621 2HB LEU 80 2HB LEU 80 2.334 1.357 -3.463 622 HG LEU 80 HG LEU 80 1.214 3.374 -3.758 623 1HD1 LEU 80 1HD1 LEU 80 2.240 4.402 -5.692 624 2HD1 LEU 80 2HD1 LEU 80 3.371 3.211 -5.027 625 3HD1 LEU 80 3HD1 LEU 80 2.442 2.839 -6.496 626 1HD2 LEU 80 1HD2 LEU 80 -0.844 2.510 -4.742 627 2HD2 LEU 80 2HD2 LEU 80 -0.266 3.997 -5.509 628 3HD2 LEU 80 3HD2 LEU 80 -0.062 2.436 -6.330 629 H THR 81 H THR 81 4.249 -0.192 -4.424 630 HA THR 81 HA THR 81 3.601 -2.789 -3.125 631 HB THR 81 HB THR 81 5.685 -3.693 -4.134 632 HG1 THR 81 1HG THR 81 5.641 -1.263 -5.609 633 1HG2 THR 81 1HG2 THR 81 4.962 -4.116 -6.386 634 2HG2 THR 81 2HG2 THR 81 3.508 -4.070 -5.372 635 3HG2 THR 81 3HG2 THR 81 3.923 -2.677 -6.402 636 H MET 82 H MET 82 5.709 -3.268 -1.588 637 HA MET 82 HA MET 82 6.922 -0.654 -0.791 638 1HB MET 82 1HB MET 82 5.732 -2.752 1.055 639 2HB MET 82 2HB MET 82 6.596 -1.287 1.538 640 1HG MET 82 1HG MET 82 4.857 0.025 0.180 641 2HG MET 82 2HG MET 82 3.930 -1.480 0.123 642 1HE MET 82 1HE MET 82 1.752 0.335 2.666 643 2HE MET 82 2HE MET 82 2.451 0.937 1.143 644 3HE MET 82 3HE MET 82 1.828 -0.729 1.248 645 H GLU 83 H GLU 83 7.515 -3.860 -1.727 646 HA GLU 83 HA GLU 83 10.367 -3.472 -1.017 647 1HB GLU 83 1HB GLU 83 8.732 -6.019 -0.611 648 2HB GLU 83 2HB GLU 83 10.497 -5.928 -0.557 649 1HG GLU 83 1HG GLU 83 10.408 -4.398 1.361 650 2HG GLU 83 2HG GLU 83 8.635 -4.395 1.311 651 H LYS 84 H LYS 84 11.749 -4.332 -2.651 652 HA LYS 84 HA LYS 84 10.537 -4.125 -5.267 653 1HB LYS 84 1HB LYS 84 13.368 -4.765 -4.342 654 2HB LYS 84 2HB LYS 84 12.915 -4.545 -6.042 655 1HG LYS 84 1HG LYS 84 12.245 -2.264 -5.694 656 2HG LYS 84 2HG LYS 84 12.293 -2.428 -3.943 657 1HD LYS 84 1HD LYS 84 14.776 -2.769 -4.065 658 2HD LYS 84 2HD LYS 84 14.694 -2.378 -5.802 659 1HE LYS 84 1HE LYS 84 13.680 -0.187 -5.284 660 2HE LYS 84 2HE LYS 84 13.588 -0.601 -3.570 661 1HZ LYS 84 1HZ LYS 84 16.059 -0.090 -5.100 662 2HZ LYS 84 2HZ LYS 84 15.408 0.796 -3.873 663 3HZ LYS 84 3HZ LYS 84 16.050 -0.673 -3.568 664 H ARG 85 H ARG 85 11.451 -6.884 -3.216 665 HA ARG 85 HA ARG 85 11.193 -8.908 -5.181 666 1HB ARG 85 1HB ARG 85 10.491 -10.388 -3.303 667 2HB ARG 85 2HB ARG 85 12.002 -9.530 -3.025 668 1HG ARG 85 1HG ARG 85 10.967 -8.002 -1.471 669 2HG ARG 85 2HG ARG 85 9.344 -8.581 -1.875 670 1HD ARG 85 1HD ARG 85 9.907 -10.806 -0.957 671 2HD ARG 85 2HD ARG 85 11.518 -10.215 -0.511 672 HE ARG 85 HE ARG 85 10.247 -8.449 0.873 673 1HH1 ARG 85 1HH2 ARG 85 9.275 -11.856 0.619 674 2HH1 ARG 85 2HH2 ARG 85 8.377 -11.833 2.089 675 1HH2 ARG 85 1HH1 ARG 85 8.959 -8.346 2.656 676 2HH2 ARG 85 2HH1 ARG 85 8.224 -9.779 3.323 677 H HIS 86 H HIS 86 8.658 -6.885 -3.674 678 HA HIS 86 HA HIS 86 6.508 -8.660 -4.548 679 1HB HIS 86 1HB HIS 86 6.375 -5.715 -3.803 680 2HB HIS 86 2HB HIS 86 5.017 -6.808 -3.983 681 HD1 HIS 86 HD1 HIS 86 7.083 -8.956 -2.029 682 HD2 HIS 86 HD2 HIS 86 5.077 -5.326 -1.356 683 HE1 HIS 86 HE1 HIS 86 6.818 -8.729 0.497 684 H ILE 87 H ILE 87 8.180 -5.716 -5.791 685 HA ILE 87 HA ILE 87 6.516 -5.315 -8.047 686 HB ILE 87 HB ILE 87 9.516 -4.792 -7.790 687 1HG1 ILE 87 1HG1 ILE 87 7.140 -2.954 -7.326 688 2HG1 ILE 87 2HG1 ILE 87 8.143 -3.651 -6.049 689 1HG2 ILE 87 1HG2 ILE 87 8.761 -4.799 -10.157 690 2HG2 ILE 87 2HG2 ILE 87 7.505 -3.609 -9.757 691 3HG2 ILE 87 3HG2 ILE 87 9.228 -3.195 -9.637 692 1HD1 ILE 87 1HD1 ILE 87 8.984 -1.568 -8.088 693 2HD1 ILE 87 2HD1 ILE 87 8.826 -1.408 -6.337 694 3HD1 ILE 87 3HD1 ILE 87 10.121 -2.421 -7.008 695 H GLU 88 H GLU 88 9.524 -7.300 -7.640 696 HA GLU 88 HA GLU 88 9.587 -8.239 -10.292 697 1HB GLU 88 1HB GLU 88 10.560 -9.517 -7.701 698 2HB GLU 88 2HB GLU 88 10.884 -10.189 -9.304 699 1HG GLU 88 1HG GLU 88 11.991 -8.078 -9.985 700 2HG GLU 88 2HG GLU 88 11.724 -7.409 -8.378 701 H ARG 89 H ARG 89 7.968 -9.753 -7.427 702 HA ARG 89 HA ARG 89 7.055 -12.035 -8.905 703 1HB ARG 89 1HB ARG 89 6.104 -10.743 -6.309 704 2HB ARG 89 2HB ARG 89 5.456 -12.267 -6.938 705 1HG ARG 89 1HG ARG 89 7.655 -13.322 -6.860 706 2HG ARG 89 2HG ARG 89 8.423 -11.806 -6.369 707 1HD ARG 89 1HD ARG 89 7.133 -11.807 -4.271 708 2HD ARG 89 2HD ARG 89 6.346 -13.330 -4.755 709 HE ARG 89 HE ARG 89 9.212 -13.554 -4.825 710 1HH1 ARG 89 1HH2 ARG 89 6.490 -13.554 -2.544 711 2HH1 ARG 89 2HH2 ARG 89 7.313 -14.479 -1.344 712 1HH2 ARG 89 1HH1 ARG 89 10.309 -14.783 -3.226 713 2HH2 ARG 89 2HH1 ARG 89 9.535 -15.190 -1.743 714 H LEU 90 H LEU 90 5.444 -8.896 -8.148 715 HA LEU 90 HA LEU 90 2.944 -9.669 -9.290 716 1HB LEU 90 1HB LEU 90 3.602 -7.758 -7.652 717 2HB LEU 90 2HB LEU 90 3.916 -6.806 -9.101 718 HG LEU 90 HG LEU 90 1.294 -8.161 -8.305 719 1HD1 LEU 90 1HD1 LEU 90 1.982 -6.283 -6.838 720 2HD1 LEU 90 2HD1 LEU 90 2.083 -5.222 -8.259 721 3HD1 LEU 90 3HD1 LEU 90 0.523 -5.922 -7.768 722 1HD2 LEU 90 1HD2 LEU 90 1.124 -7.970 -10.665 723 2HD2 LEU 90 2HD2 LEU 90 0.278 -6.568 -10.036 724 3HD2 LEU 90 3HD2 LEU 90 1.916 -6.377 -10.687 725 H CYS 91 H CYS 91 5.799 -7.947 -10.679 726 HA CYS 91 HA CYS 91 4.603 -7.335 -13.181 727 1HB CYS 91 1HB CYS 91 7.508 -7.880 -12.411 728 2HB CYS 91 2HB CYS 91 6.986 -7.284 -13.994 729 HG CYS 91 HG CYS 91 6.617 -5.964 -11.005 730 H GLU 92 H GLU 92 6.193 -10.377 -12.048 731 HA GLU 92 HA GLU 92 5.939 -11.528 -14.688 732 1HB GLU 92 1HB GLU 92 6.600 -12.789 -12.005 733 2HB GLU 92 2HB GLU 92 6.642 -13.637 -13.554 734 1HG GLU 92 1HG GLU 92 8.391 -11.279 -12.741 735 2HG GLU 92 2HG GLU 92 8.892 -12.950 -12.927 736 H MET 93 H MET 93 3.803 -11.394 -11.838 737 HA MET 93 HA MET 93 1.994 -13.439 -12.844 738 1HB MET 93 1HB MET 93 1.612 -11.190 -10.828 739 2HB MET 93 2HB MET 93 0.357 -12.353 -11.267 740 1HG MET 93 1HG MET 93 1.927 -14.213 -10.620 741 2HG MET 93 2HG MET 93 3.012 -12.999 -9.954 742 1HE MET 93 1HE MET 93 0.598 -10.919 -8.664 743 2HE MET 93 2HE MET 93 0.832 -11.514 -7.009 744 3HE MET 93 3HE MET 93 2.242 -11.276 -8.047 745 H ALA 94 H ALA 94 2.320 -9.909 -13.347 746 HA ALA 94 HA ALA 94 0.214 -10.106 -15.454 747 1HB ALA 94 1HB ALA 94 -0.841 -9.247 -13.395 748 2HB ALA 94 2HB ALA 94 0.380 -7.962 -13.296 749 3HB ALA 94 3HB ALA 94 -0.765 -7.997 -14.654 750 HA PRO 95 HA PRO 95 4.242 -8.161 -16.857 751 1HB PRO 95 1HB PRO 95 3.455 -9.692 -19.333 752 2HB PRO 95 2HB PRO 95 5.085 -9.433 -18.641 753 1HG PRO 95 1HG PRO 95 3.814 -11.803 -18.296 754 2HG PRO 95 2HG PRO 95 4.695 -11.051 -16.926 755 1HD PRO 95 1HD PRO 95 1.724 -10.984 -17.510 756 2HD PRO 95 2HD PRO 95 2.570 -11.318 -15.974 757 H GLU 96 H GLU 96 1.062 -8.504 -18.437 758 HA GLU 96 HA GLU 96 1.225 -6.432 -20.302 759 1HB GLU 96 1HB GLU 96 -1.273 -6.491 -20.166 760 2HB GLU 96 2HB GLU 96 -0.519 -8.072 -20.352 761 1HG GLU 96 1HG GLU 96 -0.829 -8.554 -17.950 762 2HG GLU 96 2HG GLU 96 -1.501 -6.950 -17.691 763 H MET 97 H MET 97 1.214 -6.052 -16.847 764 HA MET 97 HA MET 97 0.697 -3.128 -17.163 765 1HB MET 97 1HB MET 97 -0.421 -5.009 -15.038 766 2HB MET 97 2HB MET 97 -0.445 -3.243 -14.914 767 1HG MET 97 1HG MET 97 -1.753 -3.079 -16.994 768 2HG MET 97 2HG MET 97 -1.743 -4.833 -17.148 769 1HE MET 97 1HE MET 97 -3.178 -1.722 -15.390 770 2HE MET 97 2HE MET 97 -4.175 -2.386 -14.086 771 3HE MET 97 3HE MET 97 -2.407 -2.444 -13.954 772 H ARG 98 H ARG 98 3.172 -5.073 -16.774 773 HA ARG 98 HA ARG 98 4.177 -4.714 -14.197 774 1HB ARG 98 1HB ARG 98 6.345 -5.295 -15.073 775 2HB ARG 98 2HB ARG 98 5.088 -6.284 -15.806 776 1HG ARG 98 1HG ARG 98 5.242 -4.605 -17.806 777 2HG ARG 98 2HG ARG 98 6.735 -4.049 -17.049 778 1HD ARG 98 1HD ARG 98 6.106 -6.884 -17.988 779 2HD ARG 98 2HD ARG 98 7.160 -5.734 -18.789 780 HE ARG 98 HE ARG 98 8.745 -5.879 -16.987 781 1HH1 ARG 98 1HH2 ARG 98 6.244 -8.463 -16.783 782 2HH1 ARG 98 2HH2 ARG 98 7.377 -9.566 -16.035 783 1HH2 ARG 98 1HH1 ARG 98 10.089 -7.479 -15.886 784 2HH2 ARG 98 2HH1 ARG 98 9.371 -9.039 -15.530 785 H GLY 99 H GLY 99 4.317 -2.337 -16.854 786 1HA GLY 99 1HA GLY 99 6.189 -0.566 -15.665 787 2HA GLY 99 2HA GLY 99 4.956 -0.149 -16.864 788 H LYS 100 H LYS 100 2.759 -1.109 -14.895 789 HA LYS 100 HA LYS 100 2.475 1.506 -13.551 790 1HB LYS 100 1HB LYS 100 0.568 -0.846 -13.931 791 2HB LYS 100 2HB LYS 100 0.158 0.651 -13.085 792 1HG LYS 100 1HG LYS 100 0.584 1.981 -15.097 793 2HG LYS 100 2HG LYS 100 1.055 0.528 -16.000 794 1HD LYS 100 1HD LYS 100 -1.180 -0.417 -15.744 795 2HD LYS 100 2HD LYS 100 -1.686 0.971 -14.752 796 1HE LYS 100 1HE LYS 100 -1.147 2.492 -16.681 797 2HE LYS 100 2HE LYS 100 -0.770 1.074 -17.667 798 1HZ LYS 100 1HZ LYS 100 -3.424 1.750 -16.504 799 2HZ LYS 100 2HZ LYS 100 -3.002 1.832 -18.077 800 3HZ LYS 100 3HZ LYS 100 -3.103 0.374 -17.358 801 H VAL 101 H VAL 101 3.919 -1.389 -12.693 802 HA VAL 101 HA VAL 101 3.023 -1.358 -9.890 803 HB VAL 101 HB VAL 101 5.186 -3.055 -11.203 804 1HG1 VAL 101 1HG1 VAL 101 4.764 -4.557 -9.295 805 2HG1 VAL 101 2HG1 VAL 101 5.265 -2.954 -8.737 806 3HG1 VAL 101 3HG1 VAL 101 3.554 -3.420 -8.657 807 1HG2 VAL 101 1HG2 VAL 101 3.530 -4.866 -11.348 808 2HG2 VAL 101 2HG2 VAL 101 2.241 -3.768 -10.795 809 3HG2 VAL 101 3HG2 VAL 101 3.035 -3.520 -12.363 810 H MET 102 H MET 102 4.151 -0.143 -8.339 811 HA MET 102 HA MET 102 6.950 0.665 -8.884 812 1HB MET 102 1HB MET 102 4.649 2.653 -8.571 813 2HB MET 102 2HB MET 102 6.353 3.072 -8.336 814 1HG MET 102 1HG MET 102 6.825 2.184 -10.642 815 2HG MET 102 2HG MET 102 5.083 2.066 -10.897 816 1HE MET 102 1HE MET 102 3.549 3.999 -11.502 817 2HE MET 102 2HE MET 102 3.717 4.490 -9.802 818 3HE MET 102 3HE MET 102 3.873 5.701 -11.094 819 H LEU 103 H LEU 103 7.954 1.716 -7.005 820 HA LEU 103 HA LEU 103 7.146 0.314 -4.573 821 1HB LEU 103 1HB LEU 103 9.554 0.635 -5.567 822 2HB LEU 103 2HB LEU 103 9.446 2.274 -4.942 823 HG LEU 103 HG LEU 103 8.997 1.236 -2.632 824 1HD1 LEU 103 1HD1 LEU 103 8.334 -1.051 -3.328 825 2HD1 LEU 103 2HD1 LEU 103 9.919 -1.294 -4.083 826 3HD1 LEU 103 3HD1 LEU 103 9.792 -1.104 -2.326 827 1HD2 LEU 103 1HD2 LEU 103 11.419 0.664 -2.319 828 2HD2 LEU 103 2HD2 LEU 103 11.621 0.694 -4.085 829 3HD2 LEU 103 3HD2 LEU 103 11.159 2.169 -3.208 830 H PHE 104 H PHE 104 6.125 1.271 -2.809 831 HA PHE 104 HA PHE 104 5.050 3.856 -3.041 832 1HB PHE 104 1HB PHE 104 4.292 1.829 -1.608 833 2HB PHE 104 2HB PHE 104 5.429 2.400 -0.396 834 HD1 PHE 104 HD1 PHE 104 4.118 3.333 1.387 835 HD2 PHE 104 HD2 PHE 104 2.971 4.107 -2.697 836 HE1 PHE 104 HE1 PHE 104 2.186 4.690 2.165 837 HE2 PHE 104 HE2 PHE 104 1.064 5.445 -1.925 838 HZ PHE 104 HZ PHE 104 0.607 5.684 0.495 839 H GLY 105 H GLY 105 7.997 2.696 -1.422 840 1HA GLY 105 1HA GLY 105 8.658 5.260 -0.232 841 2HA GLY 105 2HA GLY 105 9.675 3.817 -0.307 842 H HIS 106 H HIS 106 8.389 4.922 -3.391 843 HA HIS 106 HA HIS 106 10.873 5.304 -4.606 844 1HB HIS 106 1HB HIS 106 8.930 4.939 -5.902 845 2HB HIS 106 2HB HIS 106 8.118 6.367 -5.243 846 HD1 HIS 106 HD1 HIS 106 11.030 5.498 -7.701 847 HD2 HIS 106 HD2 HIS 106 8.481 8.648 -6.492 848 HE1 HIS 106 HE1 HIS 106 11.399 7.401 -9.337 849 H TRP 107 H TRP 107 8.758 7.763 -3.019 850 HA TRP 107 HA TRP 107 10.535 9.941 -3.657 851 1HB TRP 107 1HB TRP 107 8.481 9.970 -1.458 852 2HB TRP 107 2HB TRP 107 8.991 11.276 -2.534 853 HD1 TRP 107 HD1 TRP 107 6.464 8.567 -2.118 854 HE1 TRP 107 HE1 TRP 107 4.784 8.589 -4.005 855 HE3 TRP 107 HE3 TRP 107 8.822 11.861 -5.275 856 HZ2 TRP 107 HZ2 TRP 107 4.431 9.893 -6.570 857 HZ3 TRP 107 HZ3 TRP 107 7.762 12.483 -7.432 858 HH2 TRP 107 HH2 TRP 107 5.553 11.516 -8.076 859 H ASP 108 H ASP 108 11.301 7.468 -1.735 860 HA ASP 108 HA ASP 108 12.957 9.171 0.068 861 1HB ASP 108 1HB ASP 108 11.092 7.871 1.284 862 2HB ASP 108 2HB ASP 108 11.903 6.395 0.773 863 H ASN 109 H ASN 109 13.650 8.770 -2.455 864 HA ASN 109 HA ASN 109 15.271 7.947 -3.813 865 1HB ASN 109 1HB ASN 109 16.649 8.983 -2.081 866 2HB ASN 109 2HB ASN 109 16.644 7.484 -1.152 867 1HD2 ASN 109 2HD2 ASN 109 18.764 6.981 -1.174 868 2HD2 ASN 109 1HD2 ASN 109 19.721 6.683 -2.610 869 H GLU 110 H GLU 110 13.209 6.287 -3.575 870 HA GLU 110 HA GLU 110 12.424 4.181 -3.667 871 1HB GLU 110 1HB GLU 110 14.988 3.586 -5.168 872 2HB GLU 110 2HB GLU 110 13.393 2.834 -5.357 873 1HG GLU 110 1HG GLU 110 12.584 5.278 -5.860 874 2HG GLU 110 2HG GLU 110 14.285 5.621 -6.142 875 H CYS 111 H CYS 111 13.555 4.576 -1.172 876 HA CYS 111 HA CYS 111 14.995 2.170 -0.390 877 1HB CYS 111 1HB CYS 111 13.536 4.369 1.102 878 2HB CYS 111 2HB CYS 111 14.199 2.940 1.932 879 HG CYS 111 HG CYS 111 15.627 5.293 0.171 880 H GLU 112 H GLU 112 14.191 0.268 0.319 881 HA GLU 112 HA GLU 112 11.353 -0.374 -0.029 882 1HB GLU 112 1HB GLU 112 13.707 -1.968 1.090 883 2HB GLU 112 2HB GLU 112 12.093 -2.615 0.764 884 1HG GLU 112 1HG GLU 112 12.340 -2.073 -1.633 885 2HG GLU 112 2HG GLU 112 13.967 -1.450 -1.344 886 H ILE 113 H ILE 113 10.210 -1.522 1.795 887 HA ILE 113 HA ILE 113 10.671 -0.066 4.372 888 HB ILE 113 HB ILE 113 8.072 -0.978 3.099 889 1HG1 ILE 113 1HG1 ILE 113 9.329 1.803 3.216 890 2HG1 ILE 113 2HG1 ILE 113 9.064 0.839 1.764 891 1HG2 ILE 113 1HG2 ILE 113 7.996 -0.883 5.583 892 2HG2 ILE 113 2HG2 ILE 113 8.492 0.825 5.519 893 3HG2 ILE 113 3HG2 ILE 113 6.940 0.297 4.837 894 1HD1 ILE 113 1HD1 ILE 113 6.595 0.994 2.132 895 2HD1 ILE 113 2HD1 ILE 113 6.929 2.143 3.448 896 3HD1 ILE 113 3HD1 ILE 113 7.411 2.532 1.795 897 HA PRO 114 HA PRO 114 11.083 -4.260 5.934 898 1HB PRO 114 1HB PRO 114 10.847 -3.844 8.643 899 2HB PRO 114 2HB PRO 114 12.304 -3.413 7.695 900 1HG PRO 114 1HG PRO 114 10.020 -1.613 8.532 901 2HG PRO 114 2HG PRO 114 11.779 -1.298 8.656 902 1HD PRO 114 1HD PRO 114 10.275 -0.320 6.607 903 2HD PRO 114 2HD PRO 114 11.958 -0.865 6.343 904 H ASP 115 H ASP 115 9.781 -5.895 7.122 905 HA ASP 115 HA ASP 115 6.866 -5.423 6.763 906 1HB ASP 115 1HB ASP 115 7.718 -7.266 5.532 907 2HB ASP 115 2HB ASP 115 8.564 -7.912 6.941 908 HA PRO 116 HA PRO 116 7.130 -5.090 11.252 909 1HB PRO 116 1HB PRO 116 4.575 -4.353 11.843 910 2HB PRO 116 2HB PRO 116 5.748 -3.245 11.082 911 1HG PRO 116 1HG PRO 116 3.625 -4.935 9.716 912 2HG PRO 116 2HG PRO 116 3.949 -3.186 9.494 913 1HD PRO 116 1HD PRO 116 4.967 -5.060 7.801 914 2HD PRO 116 2HD PRO 116 5.931 -3.625 8.259 915 H TYR 117 H TYR 117 5.258 -7.421 9.467 916 HA TYR 117 HA TYR 117 3.808 -9.054 10.133 917 1HB TYR 117 1HB TYR 117 5.957 -9.930 9.426 918 2HB TYR 117 2HB TYR 117 6.566 -9.883 11.070 919 HD1 TYR 117 HD1 TYR 117 6.747 -12.049 11.991 920 HD2 TYR 117 HD2 TYR 117 3.413 -11.159 9.387 921 HE1 TYR 117 HE1 TYR 117 5.853 -14.325 12.360 922 HE2 TYR 117 HE2 TYR 117 2.513 -13.431 9.757 923 HH TYR 117 HH TYR 117 2.808 -15.480 10.832 924 H ARG 118 H ARG 118 5.769 -9.865 12.989 925 HA ARG 118 HA ARG 118 3.529 -8.990 14.760 926 1HB ARG 118 1HB ARG 118 5.083 -11.601 14.994 927 2HB ARG 118 2HB ARG 118 3.861 -11.027 16.115 928 1HG ARG 118 1HG ARG 118 3.425 -12.017 13.290 929 2HG ARG 118 2HG ARG 118 2.934 -12.767 14.798 930 1HD ARG 118 1HD ARG 118 1.699 -10.457 13.337 931 2HD ARG 118 2HD ARG 118 0.957 -11.913 13.935 932 HE ARG 118 HE ARG 118 1.133 -11.048 16.222 933 1HH1 ARG 118 1HH2 ARG 118 1.547 -8.606 13.655 934 2HH1 ARG 118 2HH2 ARG 118 0.451 -7.490 14.412 935 1HH2 ARG 118 1HH1 ARG 118 0.146 -9.303 17.417 936 2HH2 ARG 118 2HH1 ARG 118 0.063 -7.721 16.702 937 H LYS 119 H LYS 119 6.080 -7.709 14.007 938 HA LYS 119 HA LYS 119 7.885 -7.912 16.287 939 1HB LYS 119 1HB LYS 119 7.607 -5.781 14.116 940 2HB LYS 119 2HB LYS 119 8.960 -5.946 15.239 941 1HG LYS 119 1HG LYS 119 9.505 -8.170 14.302 942 2HG LYS 119 2HG LYS 119 8.161 -8.037 13.157 943 1HD LYS 119 1HD LYS 119 9.197 -5.990 12.193 944 2HD LYS 119 2HD LYS 119 10.602 -6.215 13.247 945 1HE LYS 119 1HE LYS 119 9.589 -8.209 11.162 946 2HE LYS 119 2HE LYS 119 10.894 -7.056 10.899 947 1HZ LYS 119 1HZ LYS 119 11.774 -9.208 11.477 948 2HZ LYS 119 2HZ LYS 119 12.155 -8.157 12.659 949 3HZ LYS 119 3HZ LYS 119 10.960 -9.254 12.885 950 H SER 120 H SER 120 8.365 -5.658 17.396 951 HA SER 120 HA SER 120 6.269 -5.298 19.199 952 1HB SER 120 1HB SER 120 8.563 -3.374 18.636 953 2HB SER 120 2HB SER 120 7.707 -3.599 20.174 954 HG SER 120 HG SER 120 9.705 -4.725 20.120 955 H ARG 121 H ARG 121 5.038 -3.358 19.781 956 HA ARG 121 HA ARG 121 3.622 -2.179 17.637 957 1HB ARG 121 1HB ARG 121 2.938 -2.438 20.080 958 2HB ARG 121 2HB ARG 121 3.932 -1.016 20.437 959 1HG ARG 121 1HG ARG 121 2.527 0.291 18.787 960 2HG ARG 121 2HG ARG 121 1.522 -1.146 18.564 961 1HD ARG 121 1HD ARG 121 1.944 0.426 21.142 962 2HD ARG 121 2HD ARG 121 0.485 0.430 20.159 963 HE ARG 121 HE ARG 121 1.368 -1.566 22.093 964 1HH1 ARG 121 1HH2 ARG 121 -0.822 -1.020 19.371 965 2HH1 ARG 121 2HH2 ARG 121 -1.914 -2.295 19.805 966 1HH2 ARG 121 1HH1 ARG 121 -0.039 -3.286 22.648 967 2HH2 ARG 121 2HH1 ARG 121 -1.431 -3.628 21.695 968 H GLU 122 H GLU 122 6.560 -1.073 19.360 969 HA GLU 122 HA GLU 122 6.702 1.516 18.221 970 1HB GLU 122 1HB GLU 122 8.079 0.598 20.116 971 2HB GLU 122 2HB GLU 122 8.961 -0.395 18.963 972 1HG GLU 122 1HG GLU 122 10.253 1.581 19.537 973 2HG GLU 122 2HG GLU 122 9.822 1.620 17.835 974 H THR 123 H THR 123 7.552 -1.697 16.855 975 HA THR 123 HA THR 123 8.928 -0.599 14.549 976 HB THR 123 HB THR 123 7.593 -3.321 14.708 977 HG1 THR 123 1HG THR 123 10.033 -2.522 15.922 978 1HG2 THR 123 1HG2 THR 123 8.633 -2.781 12.573 979 2HG2 THR 123 2HG2 THR 123 10.139 -2.292 13.381 980 3HG2 THR 123 3HG2 THR 123 9.621 -3.987 13.415 981 H PHE 124 H PHE 124 5.546 -1.703 15.271 982 HA PHE 124 HA PHE 124 4.525 -1.157 12.656 983 1HB PHE 124 1HB PHE 124 3.269 -1.350 15.401 984 2HB PHE 124 2HB PHE 124 2.350 -0.723 14.047 985 HD1 PHE 124 HD1 PHE 124 1.520 -2.078 12.278 986 HD2 PHE 124 HD2 PHE 124 4.082 -3.783 15.306 987 HE1 PHE 124 HE1 PHE 124 0.919 -4.361 11.517 988 HE2 PHE 124 HE2 PHE 124 3.481 -6.057 14.525 989 HZ PHE 124 HZ PHE 124 1.891 -6.342 12.627 990 H ALA 125 H ALA 125 5.011 1.014 15.506 991 HA ALA 125 HA ALA 125 3.817 3.301 14.285 992 1HB ALA 125 1HB ALA 125 4.264 3.109 16.710 993 2HB ALA 125 2HB ALA 125 6.013 3.195 16.393 994 3HB ALA 125 3HB ALA 125 4.974 4.578 16.010 995 H ALA 126 H ALA 126 7.229 2.114 14.245 996 HA ALA 126 HA ALA 126 8.286 4.300 12.765 997 1HB ALA 126 1HB ALA 126 10.132 2.762 12.225 998 2HB ALA 126 2HB ALA 126 9.685 2.632 13.938 999 3HB ALA 126 3HB ALA 126 9.176 1.377 12.785 1000 H VAL 127 H VAL 127 6.934 1.140 11.636 1001 HA VAL 127 HA VAL 127 7.229 1.708 8.861 1002 HB VAL 127 HB VAL 127 5.427 -0.186 10.419 1003 1HG1 VAL 127 1HG1 VAL 127 5.858 -0.080 7.400 1004 2HG1 VAL 127 2HG1 VAL 127 5.068 -1.396 8.290 1005 3HG1 VAL 127 3HG1 VAL 127 4.319 0.201 8.256 1006 1HG2 VAL 127 1HG2 VAL 127 7.925 -0.633 8.715 1007 2HG2 VAL 127 2HG2 VAL 127 7.898 -0.633 10.488 1008 3HG2 VAL 127 3HG2 VAL 127 7.034 -1.885 9.595 1009 H TYR 128 H TYR 128 4.419 2.299 11.113 1010 HA TYR 128 HA TYR 128 2.711 3.459 9.207 1011 1HB TYR 128 1HB TYR 128 1.900 2.980 11.414 1012 2HB TYR 128 2HB TYR 128 3.096 4.027 12.164 1013 HD1 TYR 128 HD1 TYR 128 -0.194 3.933 10.522 1014 HD2 TYR 128 HD2 TYR 128 2.949 6.504 11.991 1015 HE1 TYR 128 HE1 TYR 128 -1.680 5.905 10.259 1016 HE2 TYR 128 HE2 TYR 128 1.503 8.471 11.662 1017 HH TYR 128 HH TYR 128 -0.375 9.225 10.620 1018 H THR 129 H THR 129 5.426 5.013 11.051 1019 HA THR 129 HA THR 129 4.914 7.643 10.022 1020 HB THR 129 HB THR 129 7.541 6.424 10.983 1021 HG1 THR 129 1HG THR 129 5.964 6.138 12.551 1022 1HG2 THR 129 1HG2 THR 129 7.854 8.639 9.956 1023 2HG2 THR 129 2HG2 THR 129 6.539 9.308 10.946 1024 3HG2 THR 129 3HG2 THR 129 8.043 8.743 11.711 1025 H LEU 130 H LEU 130 6.989 4.962 8.783 1026 HA LEU 130 HA LEU 130 8.108 6.413 6.606 1027 1HB LEU 130 1HB LEU 130 8.569 3.979 7.646 1028 2HB LEU 130 2HB LEU 130 7.439 3.461 6.419 1029 HG LEU 130 HG LEU 130 9.605 3.140 5.564 1030 1HD1 LEU 130 1HD1 LEU 130 8.817 5.762 4.244 1031 2HD1 LEU 130 2HD1 LEU 130 9.751 4.427 3.553 1032 3HD1 LEU 130 3HD1 LEU 130 8.034 4.202 3.911 1033 1HD2 LEU 130 1HD2 LEU 130 10.833 4.590 7.138 1034 2HD2 LEU 130 2HD2 LEU 130 11.368 4.833 5.469 1035 3HD2 LEU 130 3HD2 LEU 130 10.309 6.029 6.240 1036 H LEU 131 H LEU 131 5.171 4.362 6.845 1037 HA LEU 131 HA LEU 131 4.318 4.706 4.142 1038 1HB LEU 131 1HB LEU 131 3.025 3.789 6.718 1039 2HB LEU 131 2HB LEU 131 1.995 4.228 5.363 1040 HG LEU 131 HG LEU 131 3.060 2.627 3.893 1041 1HD1 LEU 131 1HD1 LEU 131 4.637 1.647 6.299 1042 2HD1 LEU 131 2HD1 LEU 131 4.604 0.919 4.688 1043 3HD1 LEU 131 3HD1 LEU 131 5.335 2.511 4.923 1044 1HD2 LEU 131 1HD2 LEU 131 1.099 1.992 5.241 1045 2HD2 LEU 131 2HD2 LEU 131 2.165 0.607 4.990 1046 3HD2 LEU 131 3HD2 LEU 131 2.157 1.439 6.558 1047 H GLU 132 H GLU 132 3.594 6.596 7.132 1048 HA GLU 132 HA GLU 132 1.625 8.276 5.957 1049 1HB GLU 132 1HB GLU 132 1.955 8.043 8.366 1050 2HB GLU 132 2HB GLU 132 3.572 8.755 8.257 1051 1HG GLU 132 1HG GLU 132 2.613 10.905 7.560 1052 2HG GLU 132 2HG GLU 132 1.005 10.180 7.489 1053 H ARG 133 H ARG 133 5.210 8.611 6.177 1054 HA ARG 133 HA ARG 133 5.328 11.142 4.857 1055 1HB ARG 133 1HB ARG 133 7.193 9.127 5.825 1056 2HB ARG 133 2HB ARG 133 7.592 9.433 4.141 1057 1HG ARG 133 1HG ARG 133 7.399 11.942 4.749 1058 2HG ARG 133 2HG ARG 133 7.438 11.379 6.438 1059 1HD ARG 133 1HD ARG 133 9.698 11.987 5.774 1060 2HD ARG 133 2HD ARG 133 9.621 10.220 5.907 1061 HE ARG 133 HE ARG 133 9.052 11.262 3.225 1062 1HH1 ARG 133 1HH2 ARG 133 11.728 10.143 5.341 1063 2HH1 ARG 133 2HH2 ARG 133 12.678 9.637 3.956 1064 1HH2 ARG 133 1HH1 ARG 133 10.385 10.658 1.539 1065 2HH2 ARG 133 2HH1 ARG 133 11.997 10.023 1.874 1066 H SER 134 H SER 134 5.695 7.861 3.619 1067 HA SER 134 HA SER 134 6.102 8.474 0.911 1068 1HB SER 134 1HB SER 134 4.714 6.011 2.060 1069 2HB SER 134 2HB SER 134 5.479 6.144 0.466 1070 HG SER 134 HG SER 134 6.687 6.211 3.040 1071 H ALA 135 H ALA 135 3.004 7.762 2.614 1072 HA ALA 135 HA ALA 135 1.333 8.035 0.339 1073 1HB ALA 135 1HB ALA 135 -0.482 8.306 2.016 1074 2HB ALA 135 2HB ALA 135 0.597 6.961 2.439 1075 3HB ALA 135 3HB ALA 135 0.739 8.504 3.295 1076 H ARG 136 H ARG 136 2.578 10.512 2.670 1077 HA ARG 136 HA ARG 136 0.896 12.613 1.616 1078 1HB ARG 136 1HB ARG 136 2.076 12.562 3.861 1079 2HB ARG 136 2HB ARG 136 3.595 12.885 3.022 1080 1HG ARG 136 1HG ARG 136 2.679 15.012 2.145 1081 2HG ARG 136 2HG ARG 136 1.116 14.674 2.902 1082 1HD ARG 136 1HD ARG 136 3.758 15.062 4.376 1083 2HD ARG 136 2HD ARG 136 2.478 16.280 4.205 1084 HE ARG 136 HE ARG 136 1.329 13.934 5.302 1085 1HH1 ARG 136 1HH2 ARG 136 3.577 16.493 6.317 1086 2HH1 ARG 136 2HH2 ARG 136 3.238 16.304 7.996 1087 1HH2 ARG 136 1HH1 ARG 136 0.900 13.663 7.468 1088 2HH2 ARG 136 2HH1 ARG 136 1.646 14.655 8.680 1089 H GLN 137 H GLN 137 4.243 11.477 0.869 1090 HA GLN 137 HA GLN 137 4.722 13.525 -1.057 1091 1HB GLN 137 1HB GLN 137 6.020 10.803 -0.646 1092 2HB GLN 137 2HB GLN 137 6.576 12.025 -1.808 1093 1HG GLN 137 1HG GLN 137 6.898 13.656 0.013 1094 2HG GLN 137 2HG GLN 137 6.368 12.467 1.200 1095 1HE2 GLN 137 2HE2 GLN 137 9.028 13.423 -0.945 1096 2HE2 GLN 137 1HE2 GLN 137 10.168 12.221 -0.388 1097 H TRP 138 H TRP 138 3.371 10.171 -1.432 1098 HA TRP 138 HA TRP 138 2.943 10.377 -4.226 1099 1HB TRP 138 1HB TRP 138 1.594 8.772 -2.046 1100 2HB TRP 138 2HB TRP 138 0.911 8.820 -3.665 1101 HD1 TRP 138 HD1 TRP 138 3.691 7.218 -1.727 1102 HE1 TRP 138 HE1 TRP 138 5.228 5.872 -3.201 1103 HE3 TRP 138 HE3 TRP 138 1.710 8.493 -6.274 1104 HZ2 TRP 138 HZ2 TRP 138 5.516 5.281 -6.052 1105 HZ3 TRP 138 HZ3 TRP 138 2.655 7.531 -8.356 1106 HH2 TRP 138 HH2 TRP 138 4.573 5.950 -8.252 1107 H ALA 139 H ALA 139 0.715 11.365 -1.506 1108 HA ALA 139 HA ALA 139 -1.304 12.362 -3.175 1109 1HB ALA 139 1HB ALA 139 -1.986 13.696 -1.229 1110 2HB ALA 139 2HB ALA 139 -1.550 12.045 -0.751 1111 3HB ALA 139 3HB ALA 139 -0.428 13.392 -0.445 1112 H GLN 140 H GLN 140 1.688 14.046 -2.040 1113 HA GLN 140 HA GLN 140 1.030 16.579 -3.084 1114 1HB GLN 140 1HB GLN 140 2.827 16.204 -1.484 1115 2HB GLN 140 2HB GLN 140 3.724 15.233 -2.651 1116 1HG GLN 140 1HG GLN 140 4.729 17.412 -2.447 1117 2HG GLN 140 2HG GLN 140 4.090 17.213 -4.068 1118 1HE2 GLN 140 2HE2 GLN 140 2.096 18.402 -4.649 1119 2HE2 GLN 140 1HE2 GLN 140 1.669 19.854 -3.754 1120 H ALA 141 H ALA 141 2.411 13.702 -4.745 1121 HA ALA 141 HA ALA 141 2.837 15.201 -7.234 1122 1HB ALA 141 1HB ALA 141 4.252 13.283 -6.658 1123 2HB ALA 141 2HB ALA 141 2.833 12.206 -6.652 1124 3HB ALA 141 3HB ALA 141 3.353 12.985 -8.162 1125 H LEU 142 H LEU 142 0.503 12.738 -6.049 1126 HA LEU 142 HA LEU 142 -1.109 12.532 -8.341 1127 1HB LEU 142 1HB LEU 142 -1.731 12.268 -5.383 1128 2HB LEU 142 2HB LEU 142 -2.940 11.920 -6.605 1129 HG LEU 142 HG LEU 142 -0.242 10.503 -6.536 1130 1HD1 LEU 142 1HD1 LEU 142 -1.440 10.081 -4.418 1131 2HD1 LEU 142 2HD1 LEU 142 -2.886 9.586 -5.324 1132 3HD1 LEU 142 3HD1 LEU 142 -1.392 8.631 -5.429 1133 1HD2 LEU 142 1HD2 LEU 142 -1.447 10.380 -8.700 1134 2HD2 LEU 142 2HD2 LEU 142 -1.382 8.808 -7.897 1135 3HD2 LEU 142 3HD2 LEU 142 -2.884 9.751 -7.863 1136 H ASN 143 H ASN 143 -1.273 14.940 -5.714 1137 HA ASN 143 HA ASN 143 -3.544 16.371 -6.419 1138 1HB ASN 143 1HB ASN 143 -2.260 16.827 -4.409 1139 2HB ASN 143 2HB ASN 143 -0.853 17.303 -5.357 1140 1HD2 ASN 143 2HD2 ASN 143 -0.580 19.494 -5.611 1141 2HD2 ASN 143 1HD2 ASN 143 -1.857 20.676 -5.508 1142 H ALA 144 H ALA 144 -0.453 16.296 -8.182 1143 HA ALA 144 HA ALA 144 -1.380 18.520 -9.885 1144 1HB ALA 144 1HB ALA 144 0.854 18.805 -8.795 1145 2HB ALA 144 2HB ALA 144 1.410 17.315 -9.593 1146 3HB ALA 144 3HB ALA 144 0.993 18.744 -10.562 1147 H GLU 145 H GLU 145 -1.978 15.630 -9.851 1148 HA GLU 145 HA GLU 145 -2.343 13.849 -11.230 1149 1HB GLU 145 1HB GLU 145 -4.251 14.432 -12.619 1150 2HB GLU 145 2HB GLU 145 -4.282 15.297 -11.090 1151 1HG GLU 145 1HG GLU 145 -3.502 17.359 -12.178 1152 2HG GLU 145 2HG GLU 145 -3.317 16.517 -13.716 1153 H GLN 146 H GLN 146 0.244 14.797 -12.093 1154 HA GLN 146 HA GLN 146 0.291 14.285 -14.954 1155 1HB GLN 146 1HB GLN 146 2.635 14.376 -14.848 1156 2HB GLN 146 2HB GLN 146 2.075 15.648 -13.779 1157 1HG GLN 146 1HG GLN 146 3.134 12.914 -12.890 1158 2HG GLN 146 2HG GLN 146 4.058 14.403 -12.942 1159 1HE2 GLN 146 2HE2 GLN 146 1.285 12.802 -11.315 1160 2HE2 GLN 146 1HE2 GLN 146 1.297 13.882 -9.913 1161 H VAL 147 H VAL 147 1.223 12.387 -15.891 1162 HA VAL 147 HA VAL 147 0.857 9.869 -14.408 1163 HB VAL 147 HB VAL 147 -0.616 9.121 -16.331 1164 1HG1 VAL 147 1HG1 VAL 147 -1.523 9.694 -14.075 1165 2HG1 VAL 147 2HG1 VAL 147 -1.802 11.357 -14.627 1166 3HG1 VAL 147 3HG1 VAL 147 -2.669 10.006 -15.385 1167 1HG2 VAL 147 1HG2 VAL 147 -0.966 12.125 -16.848 1168 2HG2 VAL 147 2HG2 VAL 147 -0.148 10.981 -17.937 1169 3HG2 VAL 147 3HG2 VAL 147 -1.874 10.802 -17.608 Start of MODEL 6 1 H MET 1 H MET 1 -3.250 10.112 -15.408 2 HA MET 1 HA MET 1 -3.317 10.796 -13.130 3 1HB MET 1 1HB MET 1 -4.860 12.837 -13.853 4 2HB MET 1 2HB MET 1 -6.175 11.735 -13.456 5 1HG MET 1 1HG MET 1 -3.892 12.625 -11.650 6 2HG MET 1 2HG MET 1 -5.554 13.194 -11.592 7 1HE MET 1 1HE MET 1 -3.960 12.412 -9.100 8 2HE MET 1 2HE MET 1 -5.661 12.914 -9.044 9 3HE MET 1 3HE MET 1 -5.142 11.448 -8.178 10 H PHE 2 H PHE 2 -3.448 8.807 -12.222 11 HA PHE 2 HA PHE 2 -4.764 6.685 -13.513 12 1HB PHE 2 1HB PHE 2 -3.851 6.638 -10.619 13 2HB PHE 2 2HB PHE 2 -3.923 5.306 -11.755 14 HD1 PHE 2 HD1 PHE 2 -2.200 5.130 -13.596 15 HD2 PHE 2 HD2 PHE 2 -1.977 8.156 -10.527 16 HE1 PHE 2 HE1 PHE 2 0.177 5.541 -14.169 17 HE2 PHE 2 HE2 PHE 2 0.387 8.560 -11.100 18 HZ PHE 2 HZ PHE 2 1.483 7.252 -12.921 19 H ASN 3 H ASN 3 -5.624 8.455 -10.585 20 HA ASN 3 HA ASN 3 -7.182 8.425 -9.069 21 1HB ASN 3 1HB ASN 3 -8.509 9.391 -10.866 22 2HB ASN 3 2HB ASN 3 -9.089 7.785 -11.320 23 1HD2 ASN 3 2HD2 ASN 3 -8.984 10.066 -8.482 24 2HD2 ASN 3 1HD2 ASN 3 -10.456 9.471 -7.749 25 H ASN 4 H ASN 4 -6.752 5.362 -10.625 26 HA ASN 4 HA ASN 4 -8.339 3.953 -8.510 27 1HB ASN 4 1HB ASN 4 -7.725 3.125 -11.394 28 2HB ASN 4 2HB ASN 4 -8.640 2.188 -10.222 29 1HD2 ASN 4 2HD2 ASN 4 -8.671 5.219 -12.157 30 2HD2 ASN 4 1HD2 ASN 4 -10.418 5.353 -12.177 31 H ILE 5 H ILE 5 -6.871 3.143 -7.062 32 HA ILE 5 HA ILE 5 -4.264 2.149 -8.127 33 HB ILE 5 HB ILE 5 -4.835 3.913 -5.721 34 1HG1 ILE 5 1HG1 ILE 5 -3.601 4.498 -8.443 35 2HG1 ILE 5 2HG1 ILE 5 -5.051 5.205 -7.740 36 1HG2 ILE 5 1HG2 ILE 5 -2.942 2.409 -5.225 37 2HG2 ILE 5 2HG2 ILE 5 -2.152 2.922 -6.733 38 3HG2 ILE 5 3HG2 ILE 5 -2.401 4.058 -5.381 39 1HD1 ILE 5 1HD1 ILE 5 -3.364 6.845 -7.703 40 2HD1 ILE 5 2HD1 ILE 5 -3.675 6.333 -6.027 41 3HD1 ILE 5 3HD1 ILE 5 -2.210 5.777 -6.889 42 H LEU 6 H LEU 6 -3.288 0.442 -7.025 43 HA LEU 6 HA LEU 6 -4.858 -0.867 -4.827 44 1HB LEU 6 1HB LEU 6 -5.167 -2.071 -6.954 45 2HB LEU 6 2HB LEU 6 -3.424 -2.131 -7.193 46 HG LEU 6 HG LEU 6 -3.202 -3.585 -5.185 47 1HD1 LEU 6 1HD1 LEU 6 -5.268 -4.695 -4.297 48 2HD1 LEU 6 2HD1 LEU 6 -5.162 -2.989 -3.890 49 3HD1 LEU 6 3HD1 LEU 6 -6.251 -3.514 -5.191 50 1HD2 LEU 6 1HD2 LEU 6 -5.138 -4.627 -7.291 51 2HD2 LEU 6 2HD2 LEU 6 -3.370 -4.578 -7.429 52 3HD2 LEU 6 3HD2 LEU 6 -4.124 -5.615 -6.216 53 H VAL 7 H VAL 7 -3.560 -1.544 -3.103 54 HA VAL 7 HA VAL 7 -0.605 -1.339 -3.448 55 HB VAL 7 HB VAL 7 -2.141 -0.827 -0.875 56 1HG1 VAL 7 1HG1 VAL 7 0.764 -0.345 -1.710 57 2HG1 VAL 7 2HG1 VAL 7 0.048 0.160 -0.169 58 3HG1 VAL 7 3HG1 VAL 7 0.185 -1.558 -0.546 59 1HG2 VAL 7 1HG2 VAL 7 -1.016 1.213 -2.851 60 2HG2 VAL 7 2HG2 VAL 7 -2.722 0.997 -2.401 61 3HG2 VAL 7 3HG2 VAL 7 -1.571 1.582 -1.203 62 H VAL 8 H VAL 8 0.567 -3.114 -2.856 63 HA VAL 8 HA VAL 8 -0.957 -5.454 -1.805 64 HB VAL 8 HB VAL 8 1.110 -5.470 -4.037 65 1HG1 VAL 8 1HG1 VAL 8 0.788 -7.608 -2.757 66 2HG1 VAL 8 2HG1 VAL 8 -0.941 -7.569 -3.213 67 3HG1 VAL 8 3HG1 VAL 8 0.324 -7.739 -4.436 68 1HG2 VAL 8 1HG2 VAL 8 -1.929 -5.479 -4.288 69 2HG2 VAL 8 2HG2 VAL 8 -0.806 -4.252 -4.924 70 3HG2 VAL 8 3HG2 VAL 8 -0.798 -5.869 -5.602 71 H CYS 9 H CYS 9 0.077 -6.622 -0.203 72 HA CYS 9 HA CYS 9 3.031 -6.287 0.146 73 1HB CYS 9 1HB CYS 9 1.045 -6.210 2.457 74 2HB CYS 9 2HB CYS 9 2.791 -5.921 2.515 75 HG CYS 9 HG CYS 9 0.296 -4.166 1.380 76 H VAL 10 H VAL 10 3.643 -7.935 2.145 77 HA VAL 10 HA VAL 10 2.212 -10.519 1.562 78 HB VAL 10 HB VAL 10 4.127 -11.638 2.674 79 1HG1 VAL 10 1HG1 VAL 10 4.631 -10.155 0.071 80 2HG1 VAL 10 2HG1 VAL 10 5.611 -11.520 0.660 81 3HG1 VAL 10 3HG1 VAL 10 3.901 -11.754 0.291 82 1HG2 VAL 10 1HG2 VAL 10 6.317 -10.555 2.795 83 2HG2 VAL 10 2HG2 VAL 10 5.608 -9.001 2.331 84 3HG2 VAL 10 3HG2 VAL 10 5.165 -9.763 3.875 85 H GLY 11 H GLY 11 1.362 -11.605 3.415 86 1HA GLY 11 1HA GLY 11 0.464 -11.691 5.566 87 2HA GLY 11 2HA GLY 11 1.289 -10.180 5.992 88 H ASN 12 H ASN 12 0.420 -8.540 3.870 89 HA ASN 12 HA ASN 12 -1.186 -7.141 3.181 90 1HB ASN 12 1HB ASN 12 -2.311 -8.979 2.140 91 2HB ASN 12 2HB ASN 12 -3.100 -9.441 3.641 92 1HD2 ASN 12 2HD2 ASN 12 -3.607 -6.220 3.981 93 2HD2 ASN 12 1HD2 ASN 12 -5.211 -6.286 3.306 94 H ILE 13 H ILE 13 -2.520 -8.840 6.071 95 HA ILE 13 HA ILE 13 -4.212 -6.817 6.884 96 HB ILE 13 HB ILE 13 -4.277 -7.945 9.038 97 1HG1 ILE 13 1HG1 ILE 13 -1.925 -9.680 8.151 98 2HG1 ILE 13 2HG1 ILE 13 -1.772 -8.337 9.276 99 1HG2 ILE 13 1HG2 ILE 13 -5.415 -8.926 7.056 100 2HG2 ILE 13 2HG2 ILE 13 -4.014 -9.987 6.775 101 3HG2 ILE 13 3HG2 ILE 13 -4.975 -10.136 8.255 102 1HD1 ILE 13 1HD1 ILE 13 -3.444 -9.440 10.792 103 2HD1 ILE 13 2HD1 ILE 13 -3.400 -10.864 9.729 104 3HD1 ILE 13 3HD1 ILE 13 -1.934 -10.339 10.573 105 H CYS 14 H CYS 14 -0.816 -6.603 7.064 106 HA CYS 14 HA CYS 14 -0.834 -4.882 9.485 107 1HB CYS 14 1HB CYS 14 1.651 -5.324 9.375 108 2HB CYS 14 2HB CYS 14 0.660 -6.768 9.619 109 HG CYS 14 HG CYS 14 2.805 -7.150 7.961 110 H ARG 15 H ARG 15 -0.480 -4.616 5.990 111 HA ARG 15 HA ARG 15 0.655 -1.862 6.352 112 1HB ARG 15 1HB ARG 15 1.747 -4.140 4.666 113 2HB ARG 15 2HB ARG 15 2.104 -2.445 4.335 114 1HG ARG 15 1HG ARG 15 3.056 -2.148 6.578 115 2HG ARG 15 2HG ARG 15 2.749 -3.847 6.961 116 1HD ARG 15 1HD ARG 15 4.487 -2.900 4.642 117 2HD ARG 15 2HD ARG 15 5.109 -3.308 6.235 118 HE ARG 15 HE ARG 15 3.642 -5.542 5.479 119 1HH1 ARG 15 1HH2 ARG 15 6.650 -3.898 4.486 120 2HH1 ARG 15 2HH2 ARG 15 7.167 -5.259 3.510 121 1HH2 ARG 15 1HH1 ARG 15 4.573 -7.376 4.345 122 2HH2 ARG 15 2HH1 ARG 15 6.084 -7.123 3.464 123 H SER 16 H SER 16 -0.861 -4.111 3.904 124 HA SER 16 HA SER 16 -1.227 -2.160 1.989 125 1HB SER 16 1HB SER 16 -3.263 -4.337 2.460 126 2HB SER 16 2HB SER 16 -2.760 -3.590 0.937 127 HG SER 16 HG SER 16 -1.756 -5.547 1.090 128 HA PRO 17 HA PRO 17 -5.470 -0.804 3.710 129 1HB PRO 17 1HB PRO 17 -6.129 -1.190 6.351 130 2HB PRO 17 2HB PRO 17 -6.559 -2.306 5.025 131 1HG PRO 17 1HG PRO 17 -4.208 -2.497 6.932 132 2HG PRO 17 2HG PRO 17 -5.363 -3.788 6.476 133 1HD PRO 17 1HD PRO 17 -2.955 -3.575 5.303 134 2HD PRO 17 2HD PRO 17 -4.390 -4.030 4.338 135 H THR 18 H THR 18 -2.549 -0.766 5.749 136 HA THR 18 HA THR 18 -3.133 1.679 7.122 137 HB THR 18 HB THR 18 -0.367 0.603 6.472 138 HG1 THR 18 1HG THR 18 -0.624 -0.830 8.183 139 1HG2 THR 18 1HG2 THR 18 -1.527 1.947 8.956 140 2HG2 THR 18 2HG2 THR 18 0.162 1.431 8.733 141 3HG2 THR 18 3HG2 THR 18 -0.502 2.736 7.736 142 H ALA 19 H ALA 19 -1.196 0.910 4.141 143 HA ALA 19 HA ALA 19 -0.641 3.635 3.446 144 1HB ALA 19 1HB ALA 19 -0.437 2.676 1.113 145 2HB ALA 19 2HB ALA 19 0.590 1.883 2.333 146 3HB ALA 19 3HB ALA 19 -0.908 1.099 1.773 147 H GLU 20 H GLU 20 -3.278 1.384 2.467 148 HA GLU 20 HA GLU 20 -4.439 3.076 0.560 149 1HB GLU 20 1HB GLU 20 -4.837 0.696 0.762 150 2HB GLU 20 2HB GLU 20 -5.632 0.902 2.325 151 1HG GLU 20 1HG GLU 20 -6.835 2.509 0.138 152 2HG GLU 20 2HG GLU 20 -6.841 0.773 -0.150 153 H ARG 21 H ARG 21 -5.280 2.714 4.047 154 HA ARG 21 HA ARG 21 -7.293 4.754 3.979 155 1HB ARG 21 1HB ARG 21 -5.677 3.474 6.218 156 2HB ARG 21 2HB ARG 21 -6.942 4.646 6.524 157 1HG ARG 21 1HG ARG 21 -7.458 2.044 5.023 158 2HG ARG 21 2HG ARG 21 -7.661 2.271 6.757 159 1HD ARG 21 1HD ARG 21 -9.208 4.228 6.216 160 2HD ARG 21 2HD ARG 21 -9.204 3.664 4.538 161 HE ARG 21 HE ARG 21 -10.436 2.420 6.917 162 1HH1 ARG 21 2HH2 ARG 21 -9.582 1.906 3.457 163 2HH1 ARG 21 1HH2 ARG 21 -10.725 0.646 3.257 164 1HH2 ARG 21 2HH1 ARG 21 -11.848 0.575 6.609 165 2HH2 ARG 21 1HH1 ARG 21 -12.069 -0.053 5.022 166 H LEU 22 H LEU 22 -3.745 4.887 4.566 167 HA LEU 22 HA LEU 22 -3.726 7.600 5.483 168 1HB LEU 22 1HB LEU 22 -1.703 5.814 4.105 169 2HB LEU 22 2HB LEU 22 -1.367 7.522 4.298 170 HG LEU 22 HG LEU 22 -2.131 5.804 6.689 171 1HD1 LEU 22 1HD1 LEU 22 0.349 5.673 7.125 172 2HD1 LEU 22 2HD1 LEU 22 -0.184 4.740 5.719 173 3HD1 LEU 22 3HD1 LEU 22 0.617 6.298 5.478 174 1HD2 LEU 22 1HD2 LEU 22 -0.682 8.469 6.354 175 2HD2 LEU 22 2HD2 LEU 22 -2.289 8.211 7.062 176 3HD2 LEU 22 3HD2 LEU 22 -0.856 7.595 7.886 177 H LEU 23 H LEU 23 -3.619 6.185 2.158 178 HA LEU 23 HA LEU 23 -3.630 8.764 0.883 179 1HB LEU 23 1HB LEU 23 -4.374 5.976 -0.060 180 2HB LEU 23 2HB LEU 23 -4.791 7.386 -1.006 181 HG LEU 23 HG LEU 23 -2.842 6.527 -1.947 182 1HD1 LEU 23 1HD1 LEU 23 -2.940 9.030 -1.713 183 2HD1 LEU 23 2HD1 LEU 23 -1.828 8.894 -0.329 184 3HD1 LEU 23 3HD1 LEU 23 -1.320 8.357 -1.935 185 1HD2 LEU 23 1HD2 LEU 23 -1.944 5.140 -0.164 186 2HD2 LEU 23 2HD2 LEU 23 -0.704 6.239 -0.782 187 3HD2 LEU 23 3HD2 LEU 23 -1.498 6.579 0.773 188 H GLN 24 H GLN 24 -6.343 6.737 2.160 189 HA GLN 24 HA GLN 24 -8.378 8.372 0.985 190 1HB GLN 24 1HB GLN 24 -8.503 6.742 3.566 191 2HB GLN 24 2HB GLN 24 -9.865 7.525 2.788 192 1HG GLN 24 1HG GLN 24 -8.269 5.195 1.694 193 2HG GLN 24 2HG GLN 24 -9.932 5.193 2.245 194 1HE2 GLN 24 2HE2 GLN 24 -7.843 5.696 -0.421 195 2HE2 GLN 24 1HE2 GLN 24 -9.003 6.389 -1.565 196 H ARG 25 H ARG 25 -6.541 8.718 4.081 197 HA ARG 25 HA ARG 25 -8.028 10.906 5.068 198 1HB ARG 25 1HB ARG 25 -6.207 9.676 6.335 199 2HB ARG 25 2HB ARG 25 -5.014 10.514 5.336 200 1HG ARG 25 1HG ARG 25 -6.170 12.711 6.160 201 2HG ARG 25 2HG ARG 25 -6.919 11.704 7.394 202 1HD ARG 25 1HD ARG 25 -3.920 11.918 6.886 203 2HD ARG 25 2HD ARG 25 -4.789 12.956 8.012 204 HE ARG 25 HE ARG 25 -5.495 10.755 9.149 205 1HH1 ARG 25 1HH2 ARG 25 -2.315 11.275 7.648 206 2HH1 ARG 25 2HH2 ARG 25 -1.434 10.400 8.859 207 1HH2 ARG 25 1HH1 ARG 25 -4.260 9.662 10.843 208 2HH2 ARG 25 2HH1 ARG 25 -2.641 9.187 10.457 209 H TYR 26 H TYR 26 -5.124 10.890 2.919 210 HA TYR 26 HA TYR 26 -5.111 13.715 2.588 211 1HB TYR 26 1HB TYR 26 -3.860 11.464 0.974 212 2HB TYR 26 2HB TYR 26 -3.649 13.165 0.583 213 HD1 TYR 26 HD1 TYR 26 -2.178 10.501 2.395 214 HD2 TYR 26 HD2 TYR 26 -2.943 14.740 2.612 215 HE1 TYR 26 HE1 TYR 26 -0.399 10.731 4.102 216 HE2 TYR 26 HE2 TYR 26 -1.178 14.979 4.316 217 HH TYR 26 HH TYR 26 0.708 12.180 5.553 218 H HIS 27 H HIS 27 -6.620 11.143 0.574 219 HA HIS 27 HA HIS 27 -8.200 13.203 -0.863 220 1HB HIS 27 1HB HIS 27 -6.446 11.081 -2.153 221 2HB HIS 27 2HB HIS 27 -7.658 12.047 -2.996 222 HD1 HIS 27 HD1 HIS 27 -7.076 14.910 -2.682 223 HD2 HIS 27 HD2 HIS 27 -4.053 11.987 -2.418 224 HE1 HIS 27 HE1 HIS 27 -4.879 16.109 -3.116 225 HA PRO 28 HA PRO 28 -10.843 9.550 0.124 226 1HB PRO 28 1HB PRO 28 -13.233 10.872 0.384 227 2HB PRO 28 2HB PRO 28 -12.021 10.750 1.696 228 1HG PRO 28 1HG PRO 28 -12.443 13.041 -0.245 229 2HG PRO 28 2HG PRO 28 -12.254 13.119 1.536 230 1HD PRO 28 1HD PRO 28 -10.179 13.570 -0.171 231 2HD PRO 28 2HD PRO 28 -9.928 12.740 1.395 232 H GLU 29 H GLU 29 -10.812 11.968 -2.399 233 HA GLU 29 HA GLU 29 -12.822 10.652 -4.077 234 1HB GLU 29 1HB GLU 29 -12.405 13.122 -3.994 235 2HB GLU 29 2HB GLU 29 -10.813 12.858 -4.711 236 1HG GLU 29 1HG GLU 29 -11.843 12.010 -6.769 237 2HG GLU 29 2HG GLU 29 -13.444 12.033 -6.019 238 H LEU 30 H LEU 30 -9.519 10.078 -3.297 239 HA LEU 30 HA LEU 30 -8.765 8.975 -5.925 240 1HB LEU 30 1HB LEU 30 -7.138 10.234 -4.489 241 2HB LEU 30 2HB LEU 30 -7.341 9.004 -3.231 242 HG LEU 30 HG LEU 30 -6.442 7.297 -4.855 243 1HD1 LEU 30 1HD1 LEU 30 -6.920 8.405 -6.961 244 2HD1 LEU 30 2HD1 LEU 30 -5.862 9.771 -6.539 245 3HD1 LEU 30 3HD1 LEU 30 -5.181 8.155 -6.824 246 1HD2 LEU 30 1HD2 LEU 30 -4.656 9.703 -4.252 247 2HD2 LEU 30 2HD2 LEU 30 -5.047 8.397 -3.118 248 3HD2 LEU 30 3HD2 LEU 30 -4.099 8.045 -4.566 249 H LYS 31 H LYS 31 -9.033 6.756 -6.375 250 HA LYS 31 HA LYS 31 -10.476 5.187 -4.285 251 1HB LYS 31 1HB LYS 31 -11.438 5.246 -6.578 252 2HB LYS 31 2HB LYS 31 -9.925 4.612 -7.227 253 1HG LYS 31 1HG LYS 31 -10.233 2.565 -5.738 254 2HG LYS 31 2HG LYS 31 -11.843 3.181 -5.335 255 1HD LYS 31 1HD LYS 31 -10.800 2.464 -8.109 256 2HD LYS 31 2HD LYS 31 -11.883 1.470 -7.131 257 1HE LYS 31 1HE LYS 31 -13.670 3.108 -7.282 258 2HE LYS 31 2HE LYS 31 -12.597 4.290 -8.045 259 1HZ LYS 31 1HZ LYS 31 -13.380 1.725 -9.286 260 2HZ LYS 31 2HZ LYS 31 -13.986 3.190 -9.671 261 3HZ LYS 31 3HZ LYS 31 -12.404 2.876 -9.950 262 H VAL 32 H VAL 32 -9.097 4.060 -2.984 263 HA VAL 32 HA VAL 32 -6.709 2.839 -4.222 264 HB VAL 32 HB VAL 32 -6.627 4.079 -1.451 265 1HG1 VAL 32 1HG1 VAL 32 -4.180 3.704 -1.704 266 2HG1 VAL 32 2HG1 VAL 32 -5.066 2.179 -1.819 267 3HG1 VAL 32 3HG1 VAL 32 -4.454 2.961 -3.290 268 1HG2 VAL 32 1HG2 VAL 32 -5.646 5.204 -4.096 269 2HG2 VAL 32 2HG2 VAL 32 -6.746 5.958 -2.918 270 3HG2 VAL 32 3HG2 VAL 32 -5.037 5.737 -2.532 271 H GLU 33 H GLU 33 -6.475 0.746 -3.666 272 HA GLU 33 HA GLU 33 -8.303 -0.417 -1.602 273 1HB GLU 33 1HB GLU 33 -7.928 -1.098 -4.545 274 2HB GLU 33 2HB GLU 33 -8.518 -2.298 -3.416 275 1HG GLU 33 1HG GLU 33 -9.836 0.408 -3.939 276 2HG GLU 33 2HG GLU 33 -10.359 -1.122 -4.611 277 H SER 34 H SER 34 -7.633 -2.700 -1.108 278 HA SER 34 HA SER 34 -4.648 -2.856 -0.938 279 1HB SER 34 1HB SER 34 -6.823 -3.593 1.053 280 2HB SER 34 2HB SER 34 -5.087 -3.791 1.314 281 HG SER 34 HG SER 34 -6.622 -1.429 1.120 282 H ALA 35 H ALA 35 -3.687 -4.923 -1.010 283 HA ALA 35 HA ALA 35 -5.249 -7.356 -0.755 284 1HB ALA 35 1HB ALA 35 -4.623 -8.291 -2.968 285 2HB ALA 35 2HB ALA 35 -5.611 -6.850 -3.180 286 3HB ALA 35 3HB ALA 35 -3.851 -6.753 -3.417 287 H GLY 36 H GLY 36 -3.429 -9.248 -1.409 288 1HA GLY 36 1HA GLY 36 -0.701 -8.259 -1.019 289 2HA GLY 36 2HA GLY 36 -1.286 -9.363 0.217 290 H LEU 37 H LEU 37 0.978 -9.853 -1.365 291 HA LEU 37 HA LEU 37 0.357 -11.810 -3.460 292 1HB LEU 37 1HB LEU 37 2.809 -10.988 -1.868 293 2HB LEU 37 2HB LEU 37 2.835 -12.504 -2.756 294 HG LEU 37 HG LEU 37 2.089 -9.904 -4.135 295 1HD1 LEU 37 1HD1 LEU 37 4.878 -11.105 -3.837 296 2HD1 LEU 37 2HD1 LEU 37 4.433 -9.701 -4.841 297 3HD1 LEU 37 3HD1 LEU 37 4.300 -9.604 -3.082 298 1HD2 LEU 37 1HD2 LEU 37 1.572 -12.049 -5.327 299 2HD2 LEU 37 2HD2 LEU 37 2.831 -11.128 -6.156 300 3HD2 LEU 37 3HD2 LEU 37 3.267 -12.535 -5.168 301 H GLY 38 H GLY 38 1.456 -11.928 -0.058 302 1HA GLY 38 1HA GLY 38 0.333 -14.691 0.228 303 2HA GLY 38 2HA GLY 38 1.669 -14.015 1.178 304 H ALA 39 H ALA 39 -1.583 -12.816 0.181 305 HA ALA 39 HA ALA 39 -2.062 -11.485 2.695 306 1HB ALA 39 1HB ALA 39 -4.057 -12.323 0.552 307 2HB ALA 39 2HB ALA 39 -4.280 -11.049 1.760 308 3HB ALA 39 3HB ALA 39 -3.092 -10.835 0.473 309 H LEU 40 H LEU 40 -4.120 -11.940 3.913 310 HA LEU 40 HA LEU 40 -4.462 -14.870 4.459 311 1HB LEU 40 1HB LEU 40 -4.492 -12.455 6.325 312 2HB LEU 40 2HB LEU 40 -4.853 -14.109 6.810 313 HG LEU 40 HG LEU 40 -2.165 -13.198 5.672 314 1HD1 LEU 40 1HD1 LEU 40 -2.615 -12.119 7.815 315 2HD1 LEU 40 2HD1 LEU 40 -2.960 -13.696 8.565 316 3HD1 LEU 40 3HD1 LEU 40 -1.327 -13.318 7.956 317 1HD2 LEU 40 1HD2 LEU 40 -1.323 -15.345 6.580 318 2HD2 LEU 40 2HD2 LEU 40 -2.979 -15.807 7.031 319 3HD2 LEU 40 3HD2 LEU 40 -2.531 -15.601 5.321 320 H VAL 41 H VAL 41 -6.073 -14.727 2.737 321 HA VAL 41 HA VAL 41 -7.943 -12.771 2.450 322 HB VAL 41 HB VAL 41 -7.488 -14.396 0.781 323 1HG1 VAL 41 1HG1 VAL 41 -8.344 -16.680 0.769 324 2HG1 VAL 41 2HG1 VAL 41 -7.231 -16.456 2.122 325 3HG1 VAL 41 3HG1 VAL 41 -8.983 -16.487 2.412 326 1HG2 VAL 41 1HG2 VAL 41 -10.439 -14.582 1.493 327 2HG2 VAL 41 2HG2 VAL 41 -9.666 -13.198 0.696 328 3HG2 VAL 41 3HG2 VAL 41 -9.703 -14.775 -0.109 329 H GLY 42 H GLY 42 -9.691 -12.018 3.406 330 1HA GLY 42 1HA GLY 42 -11.758 -12.152 4.469 331 2HA GLY 42 2HA GLY 42 -11.381 -13.767 5.073 332 H LYS 43 H LYS 43 -8.597 -12.366 6.018 333 HA LYS 43 HA LYS 43 -9.585 -11.807 8.717 334 1HB LYS 43 1HB LYS 43 -6.862 -11.695 7.382 335 2HB LYS 43 2HB LYS 43 -7.117 -10.888 8.914 336 1HG LYS 43 1HG LYS 43 -6.172 -13.151 9.174 337 2HG LYS 43 2HG LYS 43 -7.672 -12.878 10.068 338 1HD LYS 43 1HD LYS 43 -8.954 -14.075 8.356 339 2HD LYS 43 2HD LYS 43 -7.489 -14.361 7.412 340 1HE LYS 43 1HE LYS 43 -8.037 -15.356 10.257 341 2HE LYS 43 2HE LYS 43 -8.288 -16.314 8.798 342 1HZ LYS 43 1HZ LYS 43 -5.661 -15.300 9.721 343 2HZ LYS 43 2HZ LYS 43 -6.188 -16.835 9.830 344 3HZ LYS 43 3HZ LYS 43 -5.913 -16.194 8.363 345 H GLY 44 H GLY 44 -9.465 -9.801 9.811 346 1HA GLY 44 1HA GLY 44 -10.056 -7.462 8.151 347 2HA GLY 44 2HA GLY 44 -10.055 -7.553 9.916 348 H ALA 45 H ALA 45 -8.917 -5.429 9.416 349 HA ALA 45 HA ALA 45 -6.092 -5.479 8.708 350 1HB ALA 45 1HB ALA 45 -7.795 -3.461 10.245 351 2HB ALA 45 2HB ALA 45 -6.087 -3.227 9.806 352 3HB ALA 45 3HB ALA 45 -7.318 -3.372 8.540 353 H ASP 46 H ASP 46 -4.341 -5.390 10.241 354 HA ASP 46 HA ASP 46 -4.687 -7.313 12.349 355 1HB ASP 46 1HB ASP 46 -2.596 -7.098 11.064 356 2HB ASP 46 2HB ASP 46 -2.317 -5.496 11.765 357 HA PRO 47 HA PRO 47 -5.936 -4.526 15.655 358 1HB PRO 47 1HB PRO 47 -4.262 -6.412 17.324 359 2HB PRO 47 2HB PRO 47 -5.860 -5.693 17.701 360 1HG PRO 47 1HG PRO 47 -5.715 -8.225 16.761 361 2HG PRO 47 2HG PRO 47 -6.950 -7.105 16.098 362 1HD PRO 47 1HD PRO 47 -4.300 -7.909 14.900 363 2HD PRO 47 2HD PRO 47 -5.890 -7.703 14.103 364 H THR 48 H THR 48 -2.450 -5.324 15.203 365 HA THR 48 HA THR 48 -1.607 -3.215 17.047 366 HB THR 48 HB THR 48 0.260 -4.335 14.992 367 HG1 THR 48 1HG THR 48 -0.783 -6.142 15.413 368 1HG2 THR 48 1HG2 THR 48 1.079 -2.840 16.772 369 2HG2 THR 48 2HG2 THR 48 0.454 -3.946 18.015 370 3HG2 THR 48 3HG2 THR 48 1.780 -4.458 16.948 371 H ALA 49 H ALA 49 -1.990 -3.711 13.515 372 HA ALA 49 HA ALA 49 -0.927 -1.165 12.712 373 1HB ALA 49 1HB ALA 49 -2.981 -2.983 11.360 374 2HB ALA 49 2HB ALA 49 -2.082 -1.656 10.591 375 3HB ALA 49 3HB ALA 49 -1.222 -3.092 11.172 376 H ILE 50 H ILE 50 -4.246 -2.354 13.467 377 HA ILE 50 HA ILE 50 -5.637 0.085 13.082 378 HB ILE 50 HB ILE 50 -6.098 -2.224 14.990 379 1HG1 ILE 50 1HG1 ILE 50 -7.646 -1.515 12.460 380 2HG1 ILE 50 2HG1 ILE 50 -6.260 -2.599 12.434 381 1HG2 ILE 50 1HG2 ILE 50 -8.027 0.056 14.340 382 2HG2 ILE 50 2HG2 ILE 50 -8.439 -1.393 15.280 383 3HG2 ILE 50 3HG2 ILE 50 -7.272 -0.258 15.917 384 1HD1 ILE 50 1HD1 ILE 50 -8.320 -3.882 12.481 385 2HD1 ILE 50 2HD1 ILE 50 -7.432 -4.142 13.991 386 3HD1 ILE 50 3HD1 ILE 50 -8.860 -3.081 13.952 387 H SER 51 H SER 51 -4.031 -1.212 16.083 388 HA SER 51 HA SER 51 -4.757 0.960 17.714 389 1HB SER 51 1HB SER 51 -2.279 -0.809 17.900 390 2HB SER 51 2HB SER 51 -2.925 0.221 19.189 391 HG SER 51 HG SER 51 -4.132 -2.045 17.966 392 H VAL 52 H VAL 52 -1.685 0.508 15.818 393 HA VAL 52 HA VAL 52 -0.624 3.031 16.641 394 HB VAL 52 HB VAL 52 0.005 1.153 14.333 395 1HG1 VAL 52 1HG1 VAL 52 0.755 3.411 13.651 396 2HG1 VAL 52 2HG1 VAL 52 1.614 3.597 15.197 397 3HG1 VAL 52 3HG1 VAL 52 2.114 2.354 14.022 398 1HG2 VAL 52 1HG2 VAL 52 1.333 1.784 17.018 399 2HG2 VAL 52 2HG2 VAL 52 0.520 0.271 16.574 400 3HG2 VAL 52 3HG2 VAL 52 2.036 0.727 15.791 401 H ALA 53 H ALA 53 -2.787 2.144 13.869 402 HA ALA 53 HA ALA 53 -2.556 4.787 12.703 403 1HB ALA 53 1HB ALA 53 -3.223 2.738 11.447 404 2HB ALA 53 2HB ALA 53 -4.747 2.715 12.373 405 3HB ALA 53 3HB ALA 53 -4.373 4.071 11.280 406 H ALA 54 H ALA 54 -4.717 3.305 15.161 407 HA ALA 54 HA ALA 54 -6.533 5.505 15.336 408 1HB ALA 54 1HB ALA 54 -7.187 4.504 17.480 409 2HB ALA 54 2HB ALA 54 -7.045 3.259 16.223 410 3HB ALA 54 3HB ALA 54 -5.767 3.442 17.448 411 H GLU 55 H GLU 55 -3.336 4.869 16.894 412 HA GLU 55 HA GLU 55 -3.391 7.146 18.606 413 1HB GLU 55 1HB GLU 55 -1.075 5.668 17.296 414 2HB GLU 55 2HB GLU 55 -0.865 6.996 18.432 415 1HG GLU 55 1HG GLU 55 -2.084 5.764 20.173 416 2HG GLU 55 2HG GLU 55 -2.356 4.419 19.074 417 H HIS 56 H HIS 56 -3.443 7.066 15.187 418 HA HIS 56 HA HIS 56 -2.898 9.987 15.067 419 1HB HIS 56 1HB HIS 56 -2.250 7.843 13.024 420 2HB HIS 56 2HB HIS 56 -2.137 9.585 12.733 421 HD1 HIS 56 HD1 HIS 56 -0.170 10.925 14.145 422 HD2 HIS 56 HD2 HIS 56 -0.193 6.721 14.298 423 HE1 HIS 56 HE1 HIS 56 2.089 10.233 15.087 424 H GLN 57 H GLN 57 -5.347 8.264 15.547 425 HA GLN 57 HA GLN 57 -7.538 8.250 15.001 426 1HB GLN 57 1HB GLN 57 -6.863 11.105 14.175 427 2HB GLN 57 2HB GLN 57 -8.471 10.515 14.591 428 1HG GLN 57 1HG GLN 57 -6.115 10.563 16.537 429 2HG GLN 57 2HG GLN 57 -7.339 11.811 16.400 430 1HE2 GLN 57 2HE2 GLN 57 -6.789 8.403 17.407 431 2HE2 GLN 57 1HE2 GLN 57 -8.274 8.286 18.316 432 H LEU 58 H LEU 58 -6.221 6.893 13.077 433 HA LEU 58 HA LEU 58 -7.994 7.448 10.737 434 1HB LEU 58 1HB LEU 58 -5.715 8.049 10.144 435 2HB LEU 58 2HB LEU 58 -5.101 6.506 10.756 436 HG LEU 58 HG LEU 58 -6.280 5.291 8.984 437 1HD1 LEU 58 1HD1 LEU 58 -7.369 8.045 8.259 438 2HD1 LEU 58 2HD1 LEU 58 -7.328 6.721 7.096 439 3HD1 LEU 58 3HD1 LEU 58 -8.277 6.542 8.571 440 1HD2 LEU 58 1HD2 LEU 58 -3.990 6.282 8.659 441 2HD2 LEU 58 2HD2 LEU 58 -4.891 6.008 7.176 442 3HD2 LEU 58 3HD2 LEU 58 -4.755 7.658 7.829 443 H SER 59 H SER 59 -9.551 5.933 10.978 444 HA SER 59 HA SER 59 -9.012 3.512 12.429 445 1HB SER 59 1HB SER 59 -11.532 4.333 10.928 446 2HB SER 59 2HB SER 59 -11.387 3.149 12.243 447 HG SER 59 HG SER 59 -12.132 5.183 12.986 448 H LEU 60 H LEU 60 -7.951 1.808 11.406 449 HA LEU 60 HA LEU 60 -8.304 1.294 8.543 450 1HB LEU 60 1HB LEU 60 -7.008 -0.560 10.555 451 2HB LEU 60 2HB LEU 60 -6.815 -0.551 8.812 452 HG LEU 60 HG LEU 60 -5.724 1.454 10.796 453 1HD1 LEU 60 1HD1 LEU 60 -3.550 0.621 10.056 454 2HD1 LEU 60 2HD1 LEU 60 -4.556 -0.733 10.591 455 3HD1 LEU 60 3HD1 LEU 60 -4.321 -0.437 8.858 456 1HD2 LEU 60 1HD2 LEU 60 -6.341 2.727 8.799 457 2HD2 LEU 60 2HD2 LEU 60 -4.588 2.555 8.880 458 3HD2 LEU 60 3HD2 LEU 60 -5.522 1.535 7.759 459 H GLU 61 H GLU 61 -10.693 1.128 10.496 460 HA GLU 61 HA GLU 61 -11.271 -1.684 10.831 461 1HB GLU 61 1HB GLU 61 -13.411 -0.971 11.671 462 2HB GLU 61 2HB GLU 61 -12.140 0.027 12.371 463 1HG GLU 61 1HG GLU 61 -12.708 1.860 10.779 464 2HG GLU 61 2HG GLU 61 -13.973 0.855 10.073 465 H GLY 62 H GLY 62 -12.954 -2.885 9.768 466 1HA GLY 62 1HA GLY 62 -14.439 -3.423 8.122 467 2HA GLY 62 2HA GLY 62 -14.336 -1.774 7.486 468 H HIS 63 H HIS 63 -11.172 -2.882 7.588 469 HA HIS 63 HA HIS 63 -10.975 -3.421 4.754 470 1HB HIS 63 1HB HIS 63 -9.071 -2.487 5.981 471 2HB HIS 63 2HB HIS 63 -9.080 -3.858 7.100 472 HD1 HIS 63 HD1 HIS 63 -8.695 -3.450 3.231 473 HD2 HIS 63 HD2 HIS 63 -7.452 -5.809 6.496 474 HE1 HIS 63 HE1 HIS 63 -7.165 -5.259 2.293 475 H CYS 64 H CYS 64 -10.774 -5.428 3.756 476 HA CYS 64 HA CYS 64 -10.770 -7.888 5.423 477 1HB CYS 64 1HB CYS 64 -12.483 -7.289 2.977 478 2HB CYS 64 2HB CYS 64 -12.213 -8.922 3.624 479 HG CYS 64 HG CYS 64 -13.452 -6.284 5.204 480 H ALA 65 H ALA 65 -8.861 -8.847 4.985 481 HA ALA 65 HA ALA 65 -7.170 -8.069 2.810 482 1HB ALA 65 1HB ALA 65 -6.230 -8.797 4.906 483 2HB ALA 65 2HB ALA 65 -7.089 -10.351 4.829 484 3HB ALA 65 3HB ALA 65 -5.778 -10.001 3.685 485 H ARG 66 H ARG 66 -6.345 -9.431 1.101 486 HA ARG 66 HA ARG 66 -7.777 -11.831 0.281 487 1HB ARG 66 1HB ARG 66 -8.751 -10.864 -1.793 488 2HB ARG 66 2HB ARG 66 -9.499 -10.205 -0.340 489 1HG ARG 66 1HG ARG 66 -7.957 -8.197 -0.544 490 2HG ARG 66 2HG ARG 66 -7.427 -8.830 -2.111 491 1HD ARG 66 1HD ARG 66 -9.654 -8.586 -3.030 492 2HD ARG 66 2HD ARG 66 -10.322 -8.225 -1.415 493 HE ARG 66 HE ARG 66 -8.146 -6.469 -2.149 494 1HH1 ARG 66 1HH2 ARG 66 -11.690 -6.788 -2.450 495 2HH1 ARG 66 2HH2 ARG 66 -11.946 -5.081 -2.381 496 1HH2 ARG 66 1HH1 ARG 66 -8.464 -4.389 -2.073 497 2HH2 ARG 66 2HH1 ARG 66 -10.041 -3.614 -2.119 498 H GLN 67 H GLN 67 -6.706 -12.817 -1.539 499 HA GLN 67 HA GLN 67 -3.960 -11.889 -1.898 500 1HB GLN 67 1HB GLN 67 -5.466 -14.303 -2.968 501 2HB GLN 67 2HB GLN 67 -3.850 -13.846 -3.519 502 1HG GLN 67 1HG GLN 67 -3.089 -13.878 -1.094 503 2HG GLN 67 2HG GLN 67 -4.635 -14.636 -0.692 504 1HE2 GLN 67 2HE2 GLN 67 -1.484 -15.041 -2.304 505 2HE2 GLN 67 1HE2 GLN 67 -1.641 -16.759 -2.590 506 H ILE 68 H ILE 68 -2.998 -11.247 -3.686 507 HA ILE 68 HA ILE 68 -4.484 -9.660 -5.559 508 HB ILE 68 HB ILE 68 -2.098 -9.317 -4.853 509 1HG1 ILE 68 1HG1 ILE 68 -2.669 -9.516 -7.842 510 2HG1 ILE 68 2HG1 ILE 68 -3.024 -8.157 -6.772 511 1HG2 ILE 68 1HG2 ILE 68 -0.276 -10.566 -5.762 512 2HG2 ILE 68 2HG2 ILE 68 -1.371 -11.724 -5.001 513 3HG2 ILE 68 3HG2 ILE 68 -1.354 -11.555 -6.767 514 1HD1 ILE 68 1HD1 ILE 68 -1.077 -7.562 -7.993 515 2HD1 ILE 68 2HD1 ILE 68 -0.494 -7.996 -6.389 516 3HD1 ILE 68 3HD1 ILE 68 -0.314 -9.143 -7.729 517 H SER 69 H SER 69 -4.918 -10.149 -7.735 518 HA SER 69 HA SER 69 -4.344 -12.848 -8.766 519 1HB SER 69 1HB SER 69 -6.636 -13.146 -9.553 520 2HB SER 69 2HB SER 69 -6.650 -12.917 -7.793 521 HG SER 69 HG SER 69 -8.236 -11.648 -8.715 522 H ARG 70 H ARG 70 -4.526 -12.792 -11.229 523 HA ARG 70 HA ARG 70 -3.435 -10.362 -12.279 524 1HB ARG 70 1HB ARG 70 -3.085 -12.627 -13.245 525 2HB ARG 70 2HB ARG 70 -4.763 -12.642 -13.814 526 1HG ARG 70 1HG ARG 70 -4.330 -10.752 -15.297 527 2HG ARG 70 2HG ARG 70 -2.726 -10.500 -14.583 528 1HD ARG 70 1HD ARG 70 -1.990 -12.702 -15.410 529 2HD ARG 70 2HD ARG 70 -3.586 -12.974 -16.136 530 HE ARG 70 HE ARG 70 -2.867 -10.589 -17.246 531 1HH1 ARG 70 1HH2 ARG 70 -1.087 -13.669 -17.079 532 2HH1 ARG 70 2HH2 ARG 70 -0.294 -13.422 -18.591 533 1HH2 ARG 70 1HH1 ARG 70 -1.938 -10.288 -19.134 534 2HH2 ARG 70 2HH1 ARG 70 -0.775 -11.398 -19.836 535 H ARG 71 H ARG 71 -6.796 -11.548 -11.985 536 HA ARG 71 HA ARG 71 -8.048 -9.497 -13.516 537 1HB ARG 71 1HB ARG 71 -9.023 -10.972 -11.028 538 2HB ARG 71 2HB ARG 71 -10.019 -9.918 -12.035 539 1HG ARG 71 1HG ARG 71 -9.625 -11.387 -13.995 540 2HG ARG 71 2HG ARG 71 -8.648 -12.473 -12.985 541 1HD ARG 71 1HD ARG 71 -10.604 -12.868 -11.515 542 2HD ARG 71 2HD ARG 71 -11.584 -11.791 -12.534 543 HE ARG 71 HE ARG 71 -10.430 -13.788 -14.182 544 1HH1 ARG 71 1HH1 ARG 71 -12.882 -13.528 -11.628 545 2HH1 ARG 71 2HH1 ARG 71 -13.806 -14.875 -12.177 546 1HH2 ARG 71 1HH2 ARG 71 -11.659 -15.589 -14.917 547 2HH2 ARG 71 2HH2 ARG 71 -13.091 -16.072 -14.090 548 H LEU 72 H LEU 72 -7.209 -9.548 -9.958 549 HA LEU 72 HA LEU 72 -8.020 -6.873 -9.505 550 1HB LEU 72 1HB LEU 72 -6.231 -8.822 -8.100 551 2HB LEU 72 2HB LEU 72 -5.863 -7.116 -7.843 552 HG LEU 72 HG LEU 72 -8.237 -6.701 -7.255 553 1HD1 LEU 72 1HD1 LEU 72 -9.293 -8.704 -8.271 554 2HD1 LEU 72 2HD1 LEU 72 -8.453 -9.733 -7.092 555 3HD1 LEU 72 3HD1 LEU 72 -9.674 -8.564 -6.549 556 1HD2 LEU 72 1HD2 LEU 72 -6.768 -8.709 -5.490 557 2HD2 LEU 72 2HD2 LEU 72 -6.476 -6.954 -5.541 558 3HD2 LEU 72 3HD2 LEU 72 -8.027 -7.573 -4.959 559 H CYS 73 H CYS 73 -4.865 -8.150 -10.692 560 HA CYS 73 HA CYS 73 -3.496 -5.714 -10.564 561 1HB CYS 73 1HB CYS 73 -3.191 -7.893 -12.688 562 2HB CYS 73 2HB CYS 73 -2.035 -6.597 -12.365 563 HG CYS 73 HG CYS 73 -3.091 -8.905 -10.227 564 H ARG 74 H ARG 74 -5.478 -6.972 -13.368 565 HA ARG 74 HA ARG 74 -5.029 -4.471 -14.784 566 1HB ARG 74 1HB ARG 74 -6.425 -5.345 -16.512 567 2HB ARG 74 2HB ARG 74 -5.282 -6.577 -15.985 568 1HG ARG 74 1HG ARG 74 -7.052 -7.760 -14.761 569 2HG ARG 74 2HG ARG 74 -8.204 -6.462 -15.102 570 1HD ARG 74 1HD ARG 74 -8.639 -8.279 -16.617 571 2HD ARG 74 2HD ARG 74 -8.003 -6.917 -17.530 572 HE ARG 74 HE ARG 74 -5.854 -8.001 -17.715 573 1HH1 ARG 74 1HH2 ARG 74 -8.509 -10.165 -16.706 574 2HH1 ARG 74 2HH2 ARG 74 -7.693 -11.599 -17.203 575 1HH2 ARG 74 1HH1 ARG 74 -4.781 -9.866 -18.314 576 2HH2 ARG 74 2HH1 ARG 74 -5.548 -11.426 -18.204 577 H ASN 75 H ASN 75 -7.264 -5.350 -12.297 578 HA ASN 75 HA ASN 75 -9.503 -3.839 -13.146 579 1HB ASN 75 1HB ASN 75 -9.581 -5.569 -11.368 580 2HB ASN 75 2HB ASN 75 -8.647 -4.511 -10.303 581 1HD2 ASN 75 2HD2 ASN 75 -9.765 -2.867 -9.152 582 2HD2 ASN 75 1HD2 ASN 75 -11.480 -2.598 -9.333 583 H TYR 76 H TYR 76 -6.468 -2.771 -11.690 584 HA TYR 76 HA TYR 76 -7.639 -0.036 -11.334 585 1HB TYR 76 1HB TYR 76 -5.337 -1.170 -9.735 586 2HB TYR 76 2HB TYR 76 -6.160 0.361 -9.501 587 HD1 TYR 76 HD1 TYR 76 -8.412 0.447 -8.412 588 HD2 TYR 76 HD2 TYR 76 -6.314 -3.265 -8.990 589 HE1 TYR 76 HE1 TYR 76 -9.948 -0.665 -6.825 590 HE2 TYR 76 HE2 TYR 76 -7.826 -4.391 -7.395 591 HH TYR 76 HH TYR 76 -9.672 -4.164 -5.992 592 H ASP 77 H ASP 77 -5.735 1.662 -11.451 593 HA ASP 77 HA ASP 77 -4.385 1.022 -14.033 594 1HB ASP 77 1HB ASP 77 -6.292 2.653 -13.999 595 2HB ASP 77 2HB ASP 77 -5.296 3.719 -13.009 596 H LEU 78 H LEU 78 -3.631 1.681 -10.783 597 HA LEU 78 HA LEU 78 -0.782 1.905 -11.527 598 1HB LEU 78 1HB LEU 78 -2.032 4.168 -10.627 599 2HB LEU 78 2HB LEU 78 -1.716 3.394 -9.087 600 HG LEU 78 HG LEU 78 0.265 4.353 -11.168 601 1HD1 LEU 78 1HD1 LEU 78 1.025 5.799 -9.410 602 2HD1 LEU 78 2HD1 LEU 78 -0.738 5.914 -9.432 603 3HD1 LEU 78 3HD1 LEU 78 0.056 4.948 -8.186 604 1HD2 LEU 78 1HD2 LEU 78 0.899 2.595 -8.772 605 2HD2 LEU 78 2HD2 LEU 78 1.288 2.294 -10.479 606 3HD2 LEU 78 3HD2 LEU 78 2.093 3.595 -9.613 607 H ILE 79 H ILE 79 0.353 0.384 -10.251 608 HA ILE 79 HA ILE 79 -1.146 -0.844 -7.975 609 HB ILE 79 HB ILE 79 0.732 -2.323 -9.830 610 1HG1 ILE 79 1HG1 ILE 79 -1.153 -1.697 -11.252 611 2HG1 ILE 79 2HG1 ILE 79 -1.092 -3.420 -10.962 612 1HG2 ILE 79 1HG2 ILE 79 -0.328 -4.331 -8.788 613 2HG2 ILE 79 2HG2 ILE 79 0.470 -3.287 -7.599 614 3HG2 ILE 79 3HG2 ILE 79 -1.290 -3.261 -7.746 615 1HD1 ILE 79 1HD1 ILE 79 -2.949 -1.583 -9.397 616 2HD1 ILE 79 2HD1 ILE 79 -3.397 -2.369 -10.907 617 3HD1 ILE 79 3HD1 ILE 79 -2.992 -3.355 -9.491 618 H LEU 80 H LEU 80 0.039 -0.805 -6.112 619 HA LEU 80 HA LEU 80 2.948 -0.181 -6.336 620 1HB LEU 80 1HB LEU 80 1.018 0.716 -4.158 621 2HB LEU 80 2HB LEU 80 2.760 0.870 -4.112 622 HG LEU 80 HG LEU 80 2.046 2.996 -4.590 623 1HD1 LEU 80 1HD1 LEU 80 3.895 2.348 -6.041 624 2HD1 LEU 80 2HD1 LEU 80 2.753 1.865 -7.314 625 3HD1 LEU 80 3HD1 LEU 80 2.846 3.554 -6.814 626 1HD2 LEU 80 1HD2 LEU 80 -0.271 2.500 -5.102 627 2HD2 LEU 80 2HD2 LEU 80 0.419 3.656 -6.249 628 3HD2 LEU 80 3HD2 LEU 80 0.167 1.963 -6.731 629 H THR 81 H THR 81 4.275 -1.124 -4.834 630 HA THR 81 HA THR 81 3.099 -2.840 -2.813 631 HB THR 81 HB THR 81 3.259 -4.363 -4.725 632 HG1 THR 81 1HG THR 81 3.523 -5.079 -2.614 633 1HG2 THR 81 1HG2 THR 81 5.384 -5.118 -5.600 634 2HG2 THR 81 2HG2 THR 81 5.204 -3.387 -5.907 635 3HG2 THR 81 3HG2 THR 81 6.267 -3.945 -4.592 636 H MET 82 H MET 82 5.193 -3.700 -1.412 637 HA MET 82 HA MET 82 6.491 -1.073 -0.863 638 1HB MET 82 1HB MET 82 5.554 -3.314 0.969 639 2HB MET 82 2HB MET 82 6.424 -1.874 1.489 640 1HG MET 82 1HG MET 82 4.607 -0.473 0.399 641 2HG MET 82 2HG MET 82 3.695 -1.971 0.165 642 1HE MET 82 1HE MET 82 1.590 -1.168 1.426 643 2HE MET 82 2HE MET 82 1.647 -0.290 2.968 644 3HE MET 82 3HE MET 82 2.384 0.419 1.510 645 H GLU 83 H GLU 83 7.351 -4.225 -1.887 646 HA GLU 83 HA GLU 83 10.143 -3.773 -0.946 647 1HB GLU 83 1HB GLU 83 8.626 -6.408 -0.851 648 2HB GLU 83 2HB GLU 83 10.328 -6.174 -0.463 649 1HG GLU 83 1HG GLU 83 9.746 -4.766 1.462 650 2HG GLU 83 2HG GLU 83 8.027 -4.868 1.068 651 H LYS 84 H LYS 84 11.727 -4.421 -2.448 652 HA LYS 84 HA LYS 84 10.778 -4.216 -5.151 653 1HB LYS 84 1HB LYS 84 13.538 -4.793 -3.999 654 2HB LYS 84 2HB LYS 84 13.223 -4.492 -5.719 655 1HG LYS 84 1HG LYS 84 12.324 -2.278 -5.252 656 2HG LYS 84 2HG LYS 84 12.409 -2.548 -3.509 657 1HD LYS 84 1HD LYS 84 14.889 -2.693 -3.651 658 2HD LYS 84 2HD LYS 84 14.787 -2.289 -5.386 659 1HE LYS 84 1HE LYS 84 13.610 -0.181 -4.836 660 2HE LYS 84 2HE LYS 84 13.599 -0.605 -3.124 661 1HZ LYS 84 1HZ LYS 84 15.307 0.936 -3.536 662 2HZ LYS 84 2HZ LYS 84 16.044 -0.478 -3.172 663 3HZ LYS 84 3HZ LYS 84 15.998 0.037 -4.728 664 H ARG 85 H ARG 85 11.722 -7.044 -3.196 665 HA ARG 85 HA ARG 85 11.634 -8.946 -5.320 666 1HB ARG 85 1HB ARG 85 11.130 -10.602 -3.559 667 2HB ARG 85 2HB ARG 85 12.521 -9.590 -3.178 668 1HG ARG 85 1HG ARG 85 11.213 -8.278 -1.579 669 2HG ARG 85 2HG ARG 85 9.731 -9.131 -2.038 670 1HD ARG 85 1HD ARG 85 10.692 -11.257 -1.230 671 2HD ARG 85 2HD ARG 85 12.157 -10.395 -0.715 672 HE ARG 85 HE ARG 85 10.288 -8.959 0.592 673 1HH1 ARG 85 1HH2 ARG 85 10.688 -12.502 0.464 674 2HH1 ARG 85 2HH2 ARG 85 9.936 -12.747 1.997 675 1HH2 ARG 85 1HH1 ARG 85 9.369 -9.243 2.472 676 2HH2 ARG 85 2HH1 ARG 85 9.157 -10.814 3.231 677 H HIS 86 H HIS 86 8.986 -7.214 -3.671 678 HA HIS 86 HA HIS 86 6.954 -9.103 -4.603 679 1HB HIS 86 1HB HIS 86 6.625 -6.251 -3.621 680 2HB HIS 86 2HB HIS 86 5.348 -7.419 -3.891 681 HD1 HIS 86 HD1 HIS 86 7.523 -9.597 -2.116 682 HD2 HIS 86 HD2 HIS 86 5.386 -6.106 -1.148 683 HE1 HIS 86 HE1 HIS 86 7.317 -9.546 0.422 684 H ILE 87 H ILE 87 8.403 -5.971 -5.705 685 HA ILE 87 HA ILE 87 6.627 -5.475 -7.842 686 HB ILE 87 HB ILE 87 9.624 -4.930 -7.659 687 1HG1 ILE 87 1HG1 ILE 87 7.226 -3.128 -7.110 688 2HG1 ILE 87 2HG1 ILE 87 8.258 -3.867 -5.879 689 1HG2 ILE 87 1HG2 ILE 87 7.608 -3.742 -9.609 690 2HG2 ILE 87 2HG2 ILE 87 9.312 -3.269 -9.447 691 3HG2 ILE 87 3HG2 ILE 87 8.910 -4.872 -10.020 692 1HD1 ILE 87 1HD1 ILE 87 8.938 -1.625 -6.082 693 2HD1 ILE 87 2HD1 ILE 87 10.214 -2.595 -6.840 694 3HD1 ILE 87 3HD1 ILE 87 9.043 -1.698 -7.843 695 H GLU 88 H GLU 88 9.573 -7.567 -7.697 696 HA GLU 88 HA GLU 88 9.495 -8.373 -10.388 697 1HB GLU 88 1HB GLU 88 11.344 -8.698 -8.678 698 2HB GLU 88 2HB GLU 88 10.399 -10.014 -7.984 699 1HG GLU 88 1HG GLU 88 12.016 -10.997 -9.397 700 2HG GLU 88 2HG GLU 88 10.468 -11.176 -10.211 701 H ARG 89 H ARG 89 7.837 -9.829 -7.511 702 HA ARG 89 HA ARG 89 6.720 -12.002 -9.019 703 1HB ARG 89 1HB ARG 89 5.833 -10.811 -6.385 704 2HB ARG 89 2HB ARG 89 5.174 -12.281 -7.101 705 1HG ARG 89 1HG ARG 89 8.028 -11.809 -6.219 706 2HG ARG 89 2HG ARG 89 6.843 -12.842 -5.430 707 1HD ARG 89 1HD ARG 89 8.389 -13.267 -7.995 708 2HD ARG 89 2HD ARG 89 8.378 -14.276 -6.559 709 HE ARG 89 HE ARG 89 6.758 -14.568 -8.860 710 1HH1 ARG 89 1HH2 ARG 89 6.328 -14.874 -5.329 711 2HH1 ARG 89 2HH2 ARG 89 5.042 -16.012 -5.491 712 1HH2 ARG 89 1HH1 ARG 89 5.229 -15.979 -9.062 713 2HH2 ARG 89 2HH1 ARG 89 4.349 -16.677 -7.713 714 H LEU 90 H LEU 90 5.474 -8.712 -8.239 715 HA LEU 90 HA LEU 90 2.856 -9.147 -9.332 716 1HB LEU 90 1HB LEU 90 4.534 -6.758 -8.599 717 2HB LEU 90 2HB LEU 90 3.232 -6.508 -9.756 718 HG LEU 90 HG LEU 90 1.579 -7.424 -8.212 719 1HD1 LEU 90 1HD1 LEU 90 3.805 -7.482 -6.131 720 2HD1 LEU 90 2HD1 LEU 90 2.089 -7.800 -5.848 721 3HD1 LEU 90 3HD1 LEU 90 3.029 -8.915 -6.841 722 1HD2 LEU 90 1HD2 LEU 90 3.279 -5.188 -7.031 723 2HD2 LEU 90 2HD2 LEU 90 2.030 -5.012 -8.278 724 3HD2 LEU 90 3HD2 LEU 90 1.575 -5.515 -6.643 725 H CYS 91 H CYS 91 5.929 -7.992 -10.810 726 HA CYS 91 HA CYS 91 4.820 -7.501 -13.403 727 1HB CYS 91 1HB CYS 91 7.654 -8.166 -12.469 728 2HB CYS 91 2HB CYS 91 7.241 -7.647 -14.106 729 HG CYS 91 HG CYS 91 6.847 -6.110 -11.215 730 H GLU 92 H GLU 92 5.971 -10.500 -11.845 731 HA GLU 92 HA GLU 92 5.861 -12.094 -14.240 732 1HB GLU 92 1HB GLU 92 7.243 -12.685 -12.306 733 2HB GLU 92 2HB GLU 92 5.816 -12.798 -11.280 734 1HG GLU 92 1HG GLU 92 4.977 -14.694 -12.682 735 2HG GLU 92 2HG GLU 92 6.453 -14.593 -13.651 736 H MET 93 H MET 93 3.607 -11.445 -11.491 737 HA MET 93 HA MET 93 1.600 -13.291 -12.284 738 1HB MET 93 1HB MET 93 1.582 -10.785 -10.561 739 2HB MET 93 2HB MET 93 0.116 -11.710 -10.843 740 1HG MET 93 1HG MET 93 2.665 -12.897 -9.690 741 2HG MET 93 2HG MET 93 1.334 -12.283 -8.719 742 1HE MET 93 1HE MET 93 -1.518 -14.862 -9.269 743 2HE MET 93 2HE MET 93 -0.957 -13.434 -8.377 744 3HE MET 93 3HE MET 93 -1.338 -13.312 -10.112 745 H ALA 94 H ALA 94 2.063 -9.834 -13.161 746 HA ALA 94 HA ALA 94 0.002 -10.194 -15.291 747 1HB ALA 94 1HB ALA 94 -1.132 -9.210 -13.361 748 2HB ALA 94 2HB ALA 94 0.087 -7.922 -13.265 749 3HB ALA 94 3HB ALA 94 -0.992 -8.027 -14.678 750 HA PRO 95 HA PRO 95 3.912 -8.365 -16.977 751 1HB PRO 95 1HB PRO 95 2.741 -9.694 -19.408 752 2HB PRO 95 2HB PRO 95 4.450 -9.598 -18.873 753 1HG PRO 95 1HG PRO 95 3.008 -11.881 -18.516 754 2HG PRO 95 2HG PRO 95 4.112 -11.293 -17.232 755 1HD PRO 95 1HD PRO 95 1.113 -10.972 -17.412 756 2HD PRO 95 2HD PRO 95 2.122 -11.419 -16.006 757 H GLU 96 H GLU 96 0.512 -8.349 -18.185 758 HA GLU 96 HA GLU 96 0.737 -6.075 -19.850 759 1HB GLU 96 1HB GLU 96 -1.669 -6.019 -19.788 760 2HB GLU 96 2HB GLU 96 -1.127 -7.697 -19.833 761 1HG GLU 96 1HG GLU 96 -1.417 -7.682 -17.250 762 2HG GLU 96 2HG GLU 96 -2.285 -6.159 -17.477 763 H MET 97 H MET 97 0.893 -6.244 -16.392 764 HA MET 97 HA MET 97 0.425 -3.321 -16.146 765 1HB MET 97 1HB MET 97 0.339 -5.477 -14.008 766 2HB MET 97 2HB MET 97 0.122 -3.751 -13.733 767 1HG MET 97 1HG MET 97 -1.681 -5.573 -15.349 768 2HG MET 97 2HG MET 97 -2.033 -4.847 -13.792 769 1HE MET 97 1HE MET 97 -2.954 -2.369 -13.434 770 2HE MET 97 2HE MET 97 -1.306 -1.898 -13.870 771 3HE MET 97 3HE MET 97 -2.693 -1.091 -14.633 772 H ARG 98 H ARG 98 2.970 -5.278 -16.783 773 HA ARG 98 HA ARG 98 4.831 -4.860 -14.730 774 1HB ARG 98 1HB ARG 98 4.990 -6.409 -16.636 775 2HB ARG 98 2HB ARG 98 5.296 -5.066 -17.741 776 1HG ARG 98 1HG ARG 98 7.436 -4.613 -16.718 777 2HG ARG 98 2HG ARG 98 7.112 -5.726 -15.386 778 1HD ARG 98 1HD ARG 98 7.366 -6.521 -18.318 779 2HD ARG 98 2HD ARG 98 8.641 -6.686 -17.096 780 HE ARG 98 HE ARG 98 6.321 -8.026 -16.147 781 1HH1 ARG 98 1HH2 ARG 98 8.717 -8.417 -18.741 782 2HH1 ARG 98 2HH2 ARG 98 8.554 -10.131 -18.812 783 1HH2 ARG 98 1HH1 ARG 98 6.127 -10.258 -16.200 784 2HH2 ARG 98 2HH1 ARG 98 7.039 -11.216 -17.328 785 H GLY 99 H GLY 99 3.939 -2.632 -17.375 786 1HA GLY 99 1HA GLY 99 5.964 -0.664 -16.659 787 2HA GLY 99 2HA GLY 99 4.672 -0.498 -17.850 788 H LYS 100 H LYS 100 3.201 -1.502 -14.971 789 HA LYS 100 HA LYS 100 2.640 1.284 -14.079 790 1HB LYS 100 1HB LYS 100 0.563 -0.905 -14.427 791 2HB LYS 100 2HB LYS 100 0.294 0.751 -13.913 792 1HG LYS 100 1HG LYS 100 -0.382 1.013 -16.041 793 2HG LYS 100 2HG LYS 100 1.333 1.322 -16.328 794 1HD LYS 100 1HD LYS 100 1.606 -1.078 -17.020 795 2HD LYS 100 2HD LYS 100 -0.116 -1.345 -16.663 796 1HE LYS 100 1HE LYS 100 -0.803 0.173 -18.402 797 2HE LYS 100 2HE LYS 100 0.868 0.639 -18.741 798 1HZ LYS 100 1HZ LYS 100 1.307 -1.517 -19.596 799 2HZ LYS 100 2HZ LYS 100 -0.085 -2.162 -19.039 800 3HZ LYS 100 3HZ LYS 100 -0.105 -1.070 -20.265 801 H VAL 101 H VAL 101 4.019 -1.527 -13.075 802 HA VAL 101 HA VAL 101 2.915 -1.361 -10.324 803 HB VAL 101 HB VAL 101 4.860 -3.289 -11.643 804 1HG1 VAL 101 1HG1 VAL 101 3.817 -3.292 -8.769 805 2HG1 VAL 101 2HG1 VAL 101 4.808 -4.564 -9.529 806 3HG1 VAL 101 3HG1 VAL 101 5.485 -2.962 -9.262 807 1HG2 VAL 101 1HG2 VAL 101 2.160 -3.975 -10.416 808 2HG2 VAL 101 2HG2 VAL 101 2.326 -3.563 -12.119 809 3HG2 VAL 101 3HG2 VAL 101 3.187 -4.961 -11.478 810 H MET 102 H MET 102 4.184 -0.254 -8.746 811 HA MET 102 HA MET 102 7.049 -0.085 -9.165 812 1HB MET 102 1HB MET 102 7.369 2.256 -9.118 813 2HB MET 102 2HB MET 102 6.253 1.923 -10.431 814 1HG MET 102 1HG MET 102 4.359 2.668 -9.012 815 2HG MET 102 2HG MET 102 5.481 2.939 -7.672 816 1HE MET 102 1HE MET 102 5.062 5.579 -11.431 817 2HE MET 102 2HE MET 102 5.500 3.864 -11.580 818 3HE MET 102 3HE MET 102 3.920 4.327 -10.902 819 H LEU 103 H LEU 103 8.046 1.271 -7.238 820 HA LEU 103 HA LEU 103 7.176 -0.098 -4.860 821 1HB LEU 103 1HB LEU 103 9.578 0.539 -5.632 822 2HB LEU 103 2HB LEU 103 9.189 2.175 -5.125 823 HG LEU 103 HG LEU 103 8.747 1.259 -2.790 824 1HD1 LEU 103 1HD1 LEU 103 9.710 -0.949 -2.227 825 2HD1 LEU 103 2HD1 LEU 103 8.361 -1.137 -3.345 826 3HD1 LEU 103 3HD1 LEU 103 10.031 -1.267 -3.939 827 1HD2 LEU 103 1HD2 LEU 103 11.205 0.963 -2.340 828 2HD2 LEU 103 2HD2 LEU 103 11.485 0.913 -4.086 829 3HD2 LEU 103 3HD2 LEU 103 10.816 2.375 -3.325 830 H PHE 104 H PHE 104 5.904 0.689 -3.182 831 HA PHE 104 HA PHE 104 4.421 3.070 -3.396 832 1HB PHE 104 1HB PHE 104 3.957 1.029 -1.951 833 2HB PHE 104 2HB PHE 104 5.162 1.622 -0.817 834 HD1 PHE 104 HD1 PHE 104 4.587 3.404 0.761 835 HD2 PHE 104 HD2 PHE 104 1.884 2.350 -2.427 836 HE1 PHE 104 HE1 PHE 104 2.803 4.812 1.783 837 HE2 PHE 104 HE2 PHE 104 0.147 3.808 -1.449 838 HZ PHE 104 HZ PHE 104 0.604 5.036 0.653 839 H GLY 105 H GLY 105 7.528 2.454 -1.710 840 1HA GLY 105 1HA GLY 105 7.671 5.177 -0.652 841 2HA GLY 105 2HA GLY 105 8.854 3.882 -0.451 842 H HIS 106 H HIS 106 7.810 4.587 -3.742 843 HA HIS 106 HA HIS 106 10.343 4.817 -4.769 844 1HB HIS 106 1HB HIS 106 8.586 4.365 -6.210 845 2HB HIS 106 2HB HIS 106 7.661 5.786 -5.712 846 HD1 HIS 106 HD1 HIS 106 10.729 4.911 -7.958 847 HD2 HIS 106 HD2 HIS 106 8.021 8.026 -7.035 848 HE1 HIS 106 HE1 HIS 106 11.105 6.733 -9.680 849 H TRP 107 H TRP 107 8.265 7.586 -3.751 850 HA TRP 107 HA TRP 107 9.937 9.628 -4.693 851 1HB TRP 107 1HB TRP 107 8.245 9.757 -2.176 852 2HB TRP 107 2HB TRP 107 8.687 11.086 -3.238 853 HD1 TRP 107 HD1 TRP 107 6.088 8.459 -2.682 854 HE1 TRP 107 HE1 TRP 107 4.268 8.571 -4.432 855 HE3 TRP 107 HE3 TRP 107 8.320 11.726 -5.948 856 HZ2 TRP 107 HZ2 TRP 107 3.770 9.961 -6.948 857 HZ3 TRP 107 HZ3 TRP 107 7.133 12.430 -8.011 858 HH2 TRP 107 HH2 TRP 107 4.859 11.557 -8.512 859 H ASP 108 H ASP 108 10.211 7.683 -1.752 860 HA ASP 108 HA ASP 108 12.216 9.498 -0.542 861 1HB ASP 108 1HB ASP 108 10.407 8.459 0.841 862 2HB ASP 108 2HB ASP 108 11.057 6.862 0.458 863 H ASN 109 H ASN 109 13.228 8.984 -2.811 864 HA ASN 109 HA ASN 109 14.948 8.051 -3.964 865 1HB ASN 109 1HB ASN 109 16.066 9.174 -2.079 866 2HB ASN 109 2HB ASN 109 15.990 7.681 -1.142 867 1HD2 ASN 109 2HD2 ASN 109 18.157 7.344 -0.907 868 2HD2 ASN 109 1HD2 ASN 109 19.267 7.032 -2.224 869 H GLU 110 H GLU 110 12.866 6.327 -3.841 870 HA GLU 110 HA GLU 110 12.133 4.209 -3.776 871 1HB GLU 110 1HB GLU 110 14.767 3.675 -5.189 872 2HB GLU 110 2HB GLU 110 13.274 2.719 -5.293 873 1HG GLU 110 1HG GLU 110 12.135 4.917 -6.022 874 2HG GLU 110 2HG GLU 110 13.757 5.541 -6.301 875 H CYS 111 H CYS 111 13.050 4.768 -1.286 876 HA CYS 111 HA CYS 111 14.493 2.452 -0.233 877 1HB CYS 111 1HB CYS 111 12.794 4.650 1.003 878 2HB CYS 111 2HB CYS 111 13.516 3.326 1.951 879 HG CYS 111 HG CYS 111 14.867 5.678 0.119 880 H GLU 112 H GLU 112 13.593 0.444 -0.028 881 HA GLU 112 HA GLU 112 10.693 0.068 -0.246 882 1HB GLU 112 1HB GLU 112 11.207 -2.302 0.183 883 2HB GLU 112 2HB GLU 112 11.975 -1.624 -1.254 884 1HG GLU 112 1HG GLU 112 14.129 -1.546 -0.078 885 2HG GLU 112 2HG GLU 112 13.355 -2.109 1.411 886 H ILE 113 H ILE 113 9.523 -1.142 1.465 887 HA ILE 113 HA ILE 113 10.087 0.305 4.000 888 HB ILE 113 HB ILE 113 7.483 -0.608 2.781 889 1HG1 ILE 113 1HG1 ILE 113 8.860 2.103 2.908 890 2HG1 ILE 113 2HG1 ILE 113 8.451 1.181 1.467 891 1HG2 ILE 113 1HG2 ILE 113 7.379 -0.592 5.257 892 2HG2 ILE 113 2HG2 ILE 113 7.868 1.120 5.247 893 3HG2 ILE 113 3HG2 ILE 113 6.332 0.607 4.523 894 1HD1 ILE 113 1HD1 ILE 113 6.922 2.983 1.620 895 2HD1 ILE 113 2HD1 ILE 113 6.025 1.493 1.985 896 3HD1 ILE 113 3HD1 ILE 113 6.517 2.604 3.299 897 HA PRO 114 HA PRO 114 10.741 -3.666 5.963 898 1HB PRO 114 1HB PRO 114 9.630 -2.342 8.420 899 2HB PRO 114 2HB PRO 114 11.155 -3.247 8.220 900 1HG PRO 114 1HG PRO 114 11.139 -0.524 8.360 901 2HG PRO 114 2HG PRO 114 12.235 -1.389 7.235 902 1HD PRO 114 1HD PRO 114 9.608 -0.028 6.617 903 2HD PRO 114 2HD PRO 114 11.146 -0.019 5.709 904 H ASP 115 H ASP 115 9.524 -5.238 7.455 905 HA ASP 115 HA ASP 115 6.588 -5.175 6.916 906 1HB ASP 115 1HB ASP 115 7.599 -6.911 5.614 907 2HB ASP 115 2HB ASP 115 8.476 -7.527 7.017 908 HA PRO 116 HA PRO 116 6.989 -5.180 11.419 909 1HB PRO 116 1HB PRO 116 4.749 -3.875 12.104 910 2HB PRO 116 2HB PRO 116 6.057 -3.037 11.223 911 1HG PRO 116 1HG PRO 116 3.533 -4.271 10.072 912 2HG PRO 116 2HG PRO 116 4.184 -2.629 9.779 913 1HD PRO 116 1HD PRO 116 4.669 -4.801 8.127 914 2HD PRO 116 2HD PRO 116 5.832 -3.458 8.320 915 H TYR 117 H TYR 117 5.040 -7.170 9.483 916 HA TYR 117 HA TYR 117 2.849 -7.980 10.312 917 1HB TYR 117 1HB TYR 117 4.176 -9.231 8.749 918 2HB TYR 117 2HB TYR 117 5.164 -9.907 10.038 919 HD1 TYR 117 HD1 TYR 117 4.712 -12.181 10.379 920 HD2 TYR 117 HD2 TYR 117 1.475 -9.541 9.307 921 HE1 TYR 117 HE1 TYR 117 3.130 -14.085 10.498 922 HE2 TYR 117 HE2 TYR 117 -0.125 -11.432 9.451 923 HH TYR 117 HH TYR 117 -0.399 -13.705 9.954 924 H ARG 118 H ARG 118 5.395 -9.620 12.386 925 HA ARG 118 HA ARG 118 3.542 -9.127 14.683 926 1HB ARG 118 1HB ARG 118 4.651 -11.791 13.780 927 2HB ARG 118 2HB ARG 118 4.589 -11.469 15.500 928 1HG ARG 118 1HG ARG 118 2.582 -12.487 15.226 929 2HG ARG 118 2HG ARG 118 2.128 -10.789 15.181 930 1HD ARG 118 1HD ARG 118 2.234 -11.029 12.587 931 2HD ARG 118 2HD ARG 118 2.389 -12.756 12.880 932 HE ARG 118 HE ARG 118 0.164 -12.888 13.422 933 1HH1 ARG 118 1HH2 ARG 118 1.051 -9.401 13.296 934 2HH1 ARG 118 2HH2 ARG 118 -0.622 -8.916 13.486 935 1HH2 ARG 118 1HH1 ARG 118 -2.056 -12.031 13.562 936 2HH2 ARG 118 2HH1 ARG 118 -2.253 -10.287 13.524 937 H LYS 119 H LYS 119 5.732 -7.582 13.709 938 HA LYS 119 HA LYS 119 7.936 -7.935 15.639 939 1HB LYS 119 1HB LYS 119 7.263 -5.568 13.854 940 2HB LYS 119 2HB LYS 119 8.810 -5.904 14.629 941 1HG LYS 119 1HG LYS 119 7.570 -7.532 12.361 942 2HG LYS 119 2HG LYS 119 8.817 -6.304 12.197 943 1HD LYS 119 1HD LYS 119 10.423 -7.648 13.423 944 2HD LYS 119 2HD LYS 119 9.183 -8.839 13.836 945 1HE LYS 119 1HE LYS 119 10.595 -9.635 11.993 946 2HE LYS 119 2HE LYS 119 8.905 -9.493 11.516 947 1HZ LYS 119 1HZ LYS 119 10.451 -8.641 9.843 948 2HZ LYS 119 2HZ LYS 119 9.427 -7.468 10.328 949 3HZ LYS 119 3HZ LYS 119 10.989 -7.491 10.860 950 H SER 120 H SER 120 8.412 -5.749 16.887 951 HA SER 120 HA SER 120 6.373 -5.442 18.836 952 1HB SER 120 1HB SER 120 8.773 -3.663 18.238 953 2HB SER 120 2HB SER 120 7.927 -3.812 19.793 954 HG SER 120 HG SER 120 9.835 -5.083 19.716 955 H ARG 121 H ARG 121 5.313 -3.395 19.522 956 HA ARG 121 HA ARG 121 3.880 -2.059 17.479 957 1HB ARG 121 1HB ARG 121 3.025 -2.125 19.732 958 2HB ARG 121 2HB ARG 121 4.447 -1.284 20.368 959 1HG ARG 121 1HG ARG 121 3.836 0.764 19.190 960 2HG ARG 121 2HG ARG 121 2.474 -0.041 18.400 961 1HD ARG 121 1HD ARG 121 1.181 -0.061 20.336 962 2HD ARG 121 2HD ARG 121 2.574 -0.036 21.414 963 HE ARG 121 HE ARG 121 1.227 2.273 20.171 964 1HH1 ARG 121 1HH2 ARG 121 4.152 1.157 21.892 965 2HH1 ARG 121 2HH2 ARG 121 4.619 2.738 22.390 966 1HH2 ARG 121 1HH1 ARG 121 1.838 4.355 20.862 967 2HH2 ARG 121 2HH1 ARG 121 3.282 4.589 21.798 968 H GLU 122 H GLU 122 7.012 -1.157 19.019 969 HA GLU 122 HA GLU 122 7.148 1.405 17.827 970 1HB GLU 122 1HB GLU 122 9.536 1.333 18.289 971 2HB GLU 122 2HB GLU 122 8.582 0.796 19.669 972 1HG GLU 122 1HG GLU 122 9.108 -1.564 19.134 973 2HG GLU 122 2HG GLU 122 10.055 -1.049 17.735 974 H THR 123 H THR 123 7.813 -1.819 16.448 975 HA THR 123 HA THR 123 9.098 -0.767 14.071 976 HB THR 123 HB THR 123 7.659 -3.419 14.287 977 HG1 THR 123 1HG THR 123 10.182 -2.766 15.411 978 1HG2 THR 123 1HG2 THR 123 10.211 -2.519 12.879 979 2HG2 THR 123 2HG2 THR 123 9.608 -4.186 12.914 980 3HG2 THR 123 3HG2 THR 123 8.658 -2.921 12.117 981 H PHE 124 H PHE 124 5.715 -1.737 14.980 982 HA PHE 124 HA PHE 124 4.558 -1.120 12.436 983 1HB PHE 124 1HB PHE 124 3.459 -1.218 15.255 984 2HB PHE 124 2HB PHE 124 2.507 -0.548 13.945 985 HD1 PHE 124 HD1 PHE 124 3.900 -3.680 15.320 986 HD2 PHE 124 HD2 PHE 124 1.663 -1.875 12.098 987 HE1 PHE 124 HE1 PHE 124 3.067 -5.910 14.637 988 HE2 PHE 124 HE2 PHE 124 0.842 -4.113 11.422 989 HZ PHE 124 HZ PHE 124 1.526 -6.132 12.703 990 H ALA 125 H ALA 125 5.307 0.987 15.278 991 HA ALA 125 HA ALA 125 4.149 3.338 14.169 992 1HB ALA 125 1HB ALA 125 4.752 3.080 16.557 993 2HB ALA 125 2HB ALA 125 6.478 3.107 16.121 994 3HB ALA 125 3HB ALA 125 5.469 4.536 15.838 995 H ALA 126 H ALA 126 7.519 2.054 13.926 996 HA ALA 126 HA ALA 126 8.559 4.206 12.391 997 1HB ALA 126 1HB ALA 126 9.969 2.485 13.463 998 2HB ALA 126 2HB ALA 126 9.335 1.251 12.349 999 3HB ALA 126 3HB ALA 126 10.306 2.599 11.724 1000 H VAL 127 H VAL 127 7.101 1.075 11.295 1001 HA VAL 127 HA VAL 127 7.257 1.702 8.530 1002 HB VAL 127 HB VAL 127 5.509 -0.223 10.111 1003 1HG1 VAL 127 1HG1 VAL 127 4.288 0.197 8.049 1004 2HG1 VAL 127 2HG1 VAL 127 5.773 0.065 7.084 1005 3HG1 VAL 127 3HG1 VAL 127 5.101 -1.358 7.898 1006 1HG2 VAL 127 1HG2 VAL 127 7.090 -1.894 9.222 1007 2HG2 VAL 127 2HG2 VAL 127 7.928 -0.640 8.291 1008 3HG2 VAL 127 3HG2 VAL 127 7.995 -0.641 10.064 1009 H TYR 128 H TYR 128 4.588 2.309 10.916 1010 HA TYR 128 HA TYR 128 2.768 3.429 9.081 1011 1HB TYR 128 1HB TYR 128 2.109 2.909 11.355 1012 2HB TYR 128 2HB TYR 128 3.274 4.053 12.016 1013 HD1 TYR 128 HD1 TYR 128 -0.057 3.687 10.491 1014 HD2 TYR 128 HD2 TYR 128 2.952 6.511 11.774 1015 HE1 TYR 128 HE1 TYR 128 -1.666 5.552 10.176 1016 HE2 TYR 128 HE2 TYR 128 1.381 8.371 11.384 1017 HH TYR 128 HH TYR 128 -0.552 8.938 10.277 1018 H THR 129 H THR 129 5.489 5.022 10.865 1019 HA THR 129 HA THR 129 4.905 7.630 9.893 1020 HB THR 129 HB THR 129 7.585 6.470 10.785 1021 HG1 THR 129 1HG THR 129 6.085 6.124 12.385 1022 1HG2 THR 129 1HG2 THR 129 7.827 8.708 9.777 1023 2HG2 THR 129 2HG2 THR 129 6.517 9.333 10.800 1024 3HG2 THR 129 3HG2 THR 129 8.048 8.795 11.530 1025 H LEU 130 H LEU 130 7.107 5.065 8.637 1026 HA LEU 130 HA LEU 130 8.100 6.580 6.436 1027 1HB LEU 130 1HB LEU 130 9.184 4.616 7.376 1028 2HB LEU 130 2HB LEU 130 7.821 3.590 6.938 1029 HG LEU 130 HG LEU 130 8.340 3.687 4.617 1030 1HD1 LEU 130 1HD1 LEU 130 10.496 5.752 5.291 1031 2HD1 LEU 130 2HD1 LEU 130 10.293 4.964 3.713 1032 3HD1 LEU 130 3HD1 LEU 130 9.039 6.044 4.307 1033 1HD2 LEU 130 1HD2 LEU 130 9.707 2.197 6.086 1034 2HD2 LEU 130 2HD2 LEU 130 10.566 2.678 4.608 1035 3HD2 LEU 130 3HD2 LEU 130 10.957 3.442 6.163 1036 H LEU 131 H LEU 131 5.229 4.460 6.774 1037 HA LEU 131 HA LEU 131 4.418 4.701 4.022 1038 1HB LEU 131 1HB LEU 131 2.904 4.008 6.580 1039 2HB LEU 131 2HB LEU 131 2.131 4.046 4.998 1040 HG LEU 131 HG LEU 131 4.501 2.247 5.655 1041 1HD1 LEU 131 1HD1 LEU 131 2.491 1.626 6.970 1042 2HD1 LEU 131 2HD1 LEU 131 1.525 1.588 5.477 1043 3HD1 LEU 131 3HD1 LEU 131 2.845 0.423 5.718 1044 1HD2 LEU 131 1HD2 LEU 131 4.244 2.807 3.233 1045 2HD2 LEU 131 2HD2 LEU 131 3.941 1.125 3.597 1046 3HD2 LEU 131 3HD2 LEU 131 2.578 2.230 3.296 1047 H GLU 132 H GLU 132 3.626 6.617 6.970 1048 HA GLU 132 HA GLU 132 1.711 8.246 5.675 1049 1HB GLU 132 1HB GLU 132 1.936 8.045 8.113 1050 2HB GLU 132 2HB GLU 132 3.486 8.899 8.064 1051 1HG GLU 132 1HG GLU 132 2.395 10.932 7.268 1052 2HG GLU 132 2HG GLU 132 0.866 10.084 7.046 1053 H ARG 133 H ARG 133 5.298 8.646 6.002 1054 HA ARG 133 HA ARG 133 5.456 11.107 4.556 1055 1HB ARG 133 1HB ARG 133 7.403 8.757 4.783 1056 2HB ARG 133 2HB ARG 133 7.768 10.248 3.903 1057 1HG ARG 133 1HG ARG 133 7.433 11.578 5.943 1058 2HG ARG 133 2HG ARG 133 7.007 10.110 6.835 1059 1HD ARG 133 1HD ARG 133 9.321 10.782 7.293 1060 2HD ARG 133 2HD ARG 133 9.250 9.203 6.522 1061 HE ARG 133 HE ARG 133 10.046 11.790 5.245 1062 1HH1 ARG 133 1HH2 ARG 133 10.240 8.240 5.245 1063 2HH1 ARG 133 2HH2 ARG 133 11.421 8.162 3.972 1064 1HH2 ARG 133 1HH1 ARG 133 11.648 11.679 3.598 1065 2HH2 ARG 133 2HH1 ARG 133 12.229 10.143 3.033 1066 H SER 134 H SER 134 5.661 7.728 3.398 1067 HA SER 134 HA SER 134 6.048 8.379 0.672 1068 1HB SER 134 1HB SER 134 4.716 5.913 1.858 1069 2HB SER 134 2HB SER 134 5.407 6.052 0.230 1070 HG SER 134 HG SER 134 6.724 6.093 2.752 1071 H ALA 135 H ALA 135 2.989 7.710 2.451 1072 HA ALA 135 HA ALA 135 1.234 8.086 0.261 1073 1HB ALA 135 1HB ALA 135 0.551 7.015 2.371 1074 2HB ALA 135 2HB ALA 135 0.792 8.547 3.246 1075 3HB ALA 135 3HB ALA 135 -0.483 8.417 2.018 1076 H ARG 136 H ARG 136 2.608 10.452 2.639 1077 HA ARG 136 HA ARG 136 1.069 12.663 1.698 1078 1HB ARG 136 1HB ARG 136 2.410 12.440 3.862 1079 2HB ARG 136 2HB ARG 136 3.865 12.772 2.922 1080 1HG ARG 136 1HG ARG 136 2.954 14.988 2.287 1081 2HG ARG 136 2HG ARG 136 1.431 14.608 3.119 1082 1HD ARG 136 1HD ARG 136 2.780 14.289 5.257 1083 2HD ARG 136 2HD ARG 136 4.190 14.882 4.383 1084 HE ARG 136 HE ARG 136 3.330 17.036 4.354 1085 1HH1 ARG 136 1HH2 ARG 136 0.884 14.846 5.759 1086 2HH1 ARG 136 2HH2 ARG 136 0.050 16.114 6.586 1087 1HH2 ARG 136 1HH1 ARG 136 2.139 18.709 5.369 1088 2HH2 ARG 136 2HH1 ARG 136 0.733 18.354 6.297 1089 H GLN 137 H GLN 137 4.273 11.358 0.685 1090 HA GLN 137 HA GLN 137 4.823 13.426 -1.199 1091 1HB GLN 137 1HB GLN 137 5.726 10.526 -1.106 1092 2HB GLN 137 2HB GLN 137 6.399 11.750 -2.179 1093 1HG GLN 137 1HG GLN 137 6.428 12.171 0.832 1094 2HG GLN 137 2HG GLN 137 7.610 11.135 0.047 1095 1HE2 GLN 137 2HE2 GLN 137 9.127 12.700 1.042 1096 2HE2 GLN 137 1HE2 GLN 137 9.493 14.169 0.172 1097 H TRP 138 H TRP 138 3.219 10.190 -1.584 1098 HA TRP 138 HA TRP 138 2.568 10.469 -4.312 1099 1HB TRP 138 1HB TRP 138 1.338 8.927 -2.018 1100 2HB TRP 138 2HB TRP 138 0.478 9.048 -3.545 1101 HD1 TRP 138 HD1 TRP 138 3.248 7.112 -1.955 1102 HE1 TRP 138 HE1 TRP 138 4.470 5.662 -3.628 1103 HE3 TRP 138 HE3 TRP 138 1.072 8.909 -6.213 1104 HZ2 TRP 138 HZ2 TRP 138 4.504 5.314 -6.555 1105 HZ3 TRP 138 HZ3 TRP 138 1.728 8.022 -8.430 1106 HH2 TRP 138 HH2 TRP 138 3.442 6.239 -8.608 1107 H ALA 139 H ALA 139 0.660 11.524 -1.427 1108 HA ALA 139 HA ALA 139 -1.470 12.648 -2.880 1109 1HB ALA 139 1HB ALA 139 -1.903 13.934 -0.818 1110 2HB ALA 139 2HB ALA 139 -1.523 12.235 -0.454 1111 3HB ALA 139 3HB ALA 139 -0.305 13.504 -0.190 1112 H GLN 140 H GLN 140 1.631 14.180 -1.833 1113 HA GLN 140 HA GLN 140 1.024 16.792 -2.651 1114 1HB GLN 140 1HB GLN 140 2.886 16.245 -1.204 1115 2HB GLN 140 2HB GLN 140 3.656 15.281 -2.461 1116 1HG GLN 140 1HG GLN 140 4.827 17.353 -2.194 1117 2HG GLN 140 2HG GLN 140 4.099 17.305 -3.791 1118 1HE2 GLN 140 2HE2 GLN 140 2.108 18.644 -4.163 1119 2HE2 GLN 140 1HE2 GLN 140 1.869 20.076 -3.178 1120 H ALA 141 H ALA 141 2.279 14.042 -4.587 1121 HA ALA 141 HA ALA 141 2.608 15.643 -6.989 1122 1HB ALA 141 1HB ALA 141 2.425 12.617 -6.604 1123 2HB ALA 141 2HB ALA 141 2.975 13.472 -8.060 1124 3HB ALA 141 3HB ALA 141 3.916 13.587 -6.564 1125 H LEU 142 H LEU 142 0.224 13.148 -5.951 1126 HA LEU 142 HA LEU 142 -1.398 13.332 -8.257 1127 1HB LEU 142 1HB LEU 142 -2.033 12.416 -5.426 1128 2HB LEU 142 2HB LEU 142 -3.134 12.197 -6.778 1129 HG LEU 142 HG LEU 142 -0.316 11.027 -6.687 1130 1HD1 LEU 142 1HD1 LEU 142 -1.425 8.877 -6.216 1131 2HD1 LEU 142 2HD1 LEU 142 -1.758 10.055 -4.937 1132 3HD1 LEU 142 3HD1 LEU 142 -3.000 9.694 -6.158 1133 1HD2 LEU 142 1HD2 LEU 142 -1.060 9.597 -8.532 1134 2HD2 LEU 142 2HD2 LEU 142 -2.628 10.425 -8.577 1135 3HD2 LEU 142 3HD2 LEU 142 -1.132 11.293 -9.001 1136 H ASN 143 H ASN 143 -1.506 15.269 -5.287 1137 HA ASN 143 HA ASN 143 -3.959 16.596 -5.632 1138 1HB ASN 143 1HB ASN 143 -2.586 16.774 -3.605 1139 2HB ASN 143 2HB ASN 143 -1.302 17.574 -4.511 1140 1HD2 ASN 143 2HD2 ASN 143 -1.267 19.768 -4.133 1141 2HD2 ASN 143 1HD2 ASN 143 -2.673 20.754 -3.834 1142 H ALA 144 H ALA 144 -0.959 16.958 -7.463 1143 HA ALA 144 HA ALA 144 -2.164 19.225 -8.944 1144 1HB ALA 144 1HB ALA 144 0.793 18.538 -8.596 1145 2HB ALA 144 2HB ALA 144 0.142 19.928 -9.491 1146 3HB ALA 144 3HB ALA 144 -0.060 19.840 -7.733 1147 H GLU 145 H GLU 145 -2.434 16.335 -9.123 1148 HA GLU 145 HA GLU 145 -2.422 14.586 -10.575 1149 1HB GLU 145 1HB GLU 145 -4.045 15.034 -12.346 1150 2HB GLU 145 2HB GLU 145 -4.493 15.719 -10.794 1151 1HG GLU 145 1HG GLU 145 -3.811 17.974 -11.566 1152 2HG GLU 145 2HG GLU 145 -3.325 17.294 -13.121 1153 H GLN 146 H GLN 146 0.167 15.520 -10.745 1154 HA GLN 146 HA GLN 146 0.850 14.262 -13.255 1155 1HB GLN 146 1HB GLN 146 1.877 17.039 -12.464 1156 2HB GLN 146 2HB GLN 146 2.866 15.920 -13.386 1157 1HG GLN 146 1HG GLN 146 2.010 16.882 -15.189 1158 2HG GLN 146 2HG GLN 146 0.646 15.813 -14.934 1159 1HE2 GLN 146 2HE2 GLN 146 -1.354 16.746 -14.200 1160 2HE2 GLN 146 1HE2 GLN 146 -1.613 18.478 -14.181 1161 H VAL 147 H VAL 147 2.930 13.327 -13.132 1162 HA VAL 147 HA VAL 147 4.040 12.835 -10.454 1163 HB VAL 147 HB VAL 147 3.796 10.342 -11.014 1164 1HG1 VAL 147 1HG1 VAL 147 2.480 11.483 -9.234 1165 2HG1 VAL 147 2HG1 VAL 147 1.198 11.831 -10.415 1166 3HG1 VAL 147 3HG1 VAL 147 1.598 10.159 -9.987 1167 1HG2 VAL 147 1HG2 VAL 147 3.054 10.613 -13.407 1168 2HG2 VAL 147 2HG2 VAL 147 1.961 9.625 -12.445 1169 3HG2 VAL 147 3HG2 VAL 147 1.515 11.295 -12.833 Start of MODEL 7 1 H MET 1 H MET 1 -6.688 12.018 -12.769 2 HA MET 1 HA MET 1 -4.611 11.313 -10.806 3 1HB MET 1 1HB MET 1 -7.660 11.216 -10.580 4 2HB MET 1 2HB MET 1 -6.557 10.452 -9.442 5 1HG MET 1 1HG MET 1 -6.714 13.430 -9.990 6 2HG MET 1 2HG MET 1 -7.413 12.599 -8.617 7 1HE MET 1 1HE MET 1 -5.428 10.760 -7.193 8 2HE MET 1 2HE MET 1 -4.569 11.947 -6.193 9 3HE MET 1 3HE MET 1 -6.315 12.121 -6.457 10 H PHE 2 H PHE 2 -4.339 9.010 -10.425 11 HA PHE 2 HA PHE 2 -4.831 7.234 -12.615 12 1HB PHE 2 1HB PHE 2 -4.343 6.546 -9.698 13 2HB PHE 2 2HB PHE 2 -4.129 5.473 -11.069 14 HD1 PHE 2 HD1 PHE 2 -2.376 7.463 -8.781 15 HD2 PHE 2 HD2 PHE 2 -2.470 6.480 -12.985 16 HE1 PHE 2 HE1 PHE 2 0.008 8.102 -8.987 17 HE2 PHE 2 HE2 PHE 2 -0.087 7.141 -13.185 18 HZ PHE 2 HZ PHE 2 1.157 7.953 -11.188 19 H ASN 3 H ASN 3 -6.786 8.209 -9.920 20 HA ASN 3 HA ASN 3 -8.914 8.039 -9.362 21 1HB ASN 3 1HB ASN 3 -9.522 8.270 -11.699 22 2HB ASN 3 2HB ASN 3 -9.346 6.532 -11.955 23 1HD2 ASN 3 2HD2 ASN 3 -11.283 8.988 -10.160 24 2HD2 ASN 3 1HD2 ASN 3 -12.656 7.944 -9.920 25 H ASN 4 H ASN 4 -7.707 4.855 -10.530 26 HA ASN 4 HA ASN 4 -9.018 3.597 -8.147 27 1HB ASN 4 1HB ASN 4 -10.344 3.307 -10.260 28 2HB ASN 4 2HB ASN 4 -8.934 2.551 -11.013 29 1HD2 ASN 4 2HD2 ASN 4 -9.821 0.396 -11.240 30 2HD2 ASN 4 1HD2 ASN 4 -10.232 -0.554 -9.843 31 H ILE 5 H ILE 5 -7.408 2.817 -6.897 32 HA ILE 5 HA ILE 5 -4.884 1.845 -8.196 33 HB ILE 5 HB ILE 5 -5.310 3.533 -5.716 34 1HG1 ILE 5 1HG1 ILE 5 -4.107 4.364 -8.386 35 2HG1 ILE 5 2HG1 ILE 5 -5.692 4.834 -7.780 36 1HG2 ILE 5 1HG2 ILE 5 -3.322 2.150 -5.351 37 2HG2 ILE 5 2HG2 ILE 5 -2.652 2.668 -6.908 38 3HG2 ILE 5 3HG2 ILE 5 -2.848 3.807 -5.557 39 1HD1 ILE 5 1HD1 ILE 5 -3.023 5.734 -6.713 40 2HD1 ILE 5 2HD1 ILE 5 -4.366 6.692 -7.358 41 3HD1 ILE 5 3HD1 ILE 5 -4.542 5.887 -5.791 42 H LEU 6 H LEU 6 -3.699 0.254 -6.968 43 HA LEU 6 HA LEU 6 -5.125 -0.919 -4.624 44 1HB LEU 6 1HB LEU 6 -5.401 -2.320 -6.751 45 2HB LEU 6 2HB LEU 6 -3.652 -2.518 -6.738 46 HG LEU 6 HG LEU 6 -3.894 -3.585 -4.432 47 1HD1 LEU 6 1HD1 LEU 6 -6.039 -4.401 -3.712 48 2HD1 LEU 6 2HD1 LEU 6 -6.258 -2.678 -4.035 49 3HD1 LEU 6 3HD1 LEU 6 -6.828 -3.856 -5.206 50 1HD2 LEU 6 1HD2 LEU 6 -3.537 -4.914 -6.460 51 2HD2 LEU 6 2HD2 LEU 6 -4.674 -5.745 -5.382 52 3HD2 LEU 6 3HD2 LEU 6 -5.275 -4.892 -6.818 53 H VAL 7 H VAL 7 -3.728 -1.441 -2.936 54 HA VAL 7 HA VAL 7 -0.820 -1.259 -3.508 55 HB VAL 7 HB VAL 7 -1.412 0.658 -2.265 56 1HG1 VAL 7 1HG1 VAL 7 -3.501 0.071 -1.203 57 2HG1 VAL 7 2HG1 VAL 7 -2.703 -1.159 -0.199 58 3HG1 VAL 7 3HG1 VAL 7 -2.350 0.567 0.029 59 1HG2 VAL 7 1HG2 VAL 7 0.096 0.444 -0.400 60 2HG2 VAL 7 2HG2 VAL 7 -0.082 -1.324 -0.387 61 3HG2 VAL 7 3HG2 VAL 7 0.717 -0.508 -1.751 62 H VAL 8 H VAL 8 0.466 -2.926 -2.807 63 HA VAL 8 HA VAL 8 -0.982 -5.283 -1.708 64 HB VAL 8 HB VAL 8 0.956 -5.318 -4.046 65 1HG1 VAL 8 1HG1 VAL 8 0.653 -7.488 -2.895 66 2HG1 VAL 8 2HG1 VAL 8 -1.116 -7.352 -3.116 67 3HG1 VAL 8 3HG1 VAL 8 -0.046 -7.527 -4.512 68 1HG2 VAL 8 1HG2 VAL 8 -2.079 -5.218 -4.214 69 2HG2 VAL 8 2HG2 VAL 8 -0.935 -4.026 -4.871 70 3HG2 VAL 8 3HG2 VAL 8 -0.996 -5.641 -5.561 71 H CYS 9 H CYS 9 0.281 -6.562 -0.236 72 HA CYS 9 HA CYS 9 3.201 -6.433 -0.517 73 1HB CYS 9 1HB CYS 9 3.673 -5.799 1.759 74 2HB CYS 9 2HB CYS 9 2.639 -4.560 1.044 75 HG CYS 9 HG CYS 9 0.435 -5.262 2.055 76 H VAL 10 H VAL 10 4.196 -7.912 1.451 77 HA VAL 10 HA VAL 10 2.658 -10.465 1.257 78 HB VAL 10 HB VAL 10 5.067 -10.574 0.840 79 1HG1 VAL 10 1HG1 VAL 10 6.703 -10.423 2.669 80 2HG1 VAL 10 2HG1 VAL 10 5.963 -8.860 2.341 81 3HG1 VAL 10 3HG1 VAL 10 5.456 -9.800 3.764 82 1HG2 VAL 10 1HG2 VAL 10 5.514 -12.522 2.216 83 2HG2 VAL 10 2HG2 VAL 10 4.236 -12.062 3.357 84 3HG2 VAL 10 3HG2 VAL 10 3.828 -12.524 1.686 85 H GLY 11 H GLY 11 1.597 -11.291 3.075 86 1HA GLY 11 1HA GLY 11 0.877 -11.358 5.299 87 2HA GLY 11 2HA GLY 11 1.658 -9.801 5.625 88 H ASN 12 H ASN 12 0.569 -8.274 3.511 89 HA ASN 12 HA ASN 12 -1.184 -7.054 2.805 90 1HB ASN 12 1HB ASN 12 -2.165 -9.230 2.121 91 2HB ASN 12 2HB ASN 12 -3.001 -9.337 3.659 92 1HD2 ASN 12 2HD2 ASN 12 -3.453 -6.089 3.213 93 2HD2 ASN 12 1HD2 ASN 12 -4.906 -6.225 2.256 94 H ILE 13 H ILE 13 -2.203 -8.652 5.845 95 HA ILE 13 HA ILE 13 -4.162 -6.873 6.589 96 HB ILE 13 HB ILE 13 -4.059 -8.013 8.766 97 1HG1 ILE 13 1HG1 ILE 13 -1.468 -9.295 7.770 98 2HG1 ILE 13 2HG1 ILE 13 -1.577 -8.065 9.023 99 1HG2 ILE 13 1HG2 ILE 13 -3.612 -9.978 6.474 100 2HG2 ILE 13 2HG2 ILE 13 -4.546 -10.229 7.958 101 3HG2 ILE 13 3HG2 ILE 13 -5.111 -9.066 6.770 102 1HD1 ILE 13 1HD1 ILE 13 -2.669 -10.900 9.156 103 2HD1 ILE 13 2HD1 ILE 13 -1.347 -10.193 10.096 104 3HD1 ILE 13 3HD1 ILE 13 -3.013 -9.645 10.374 105 H CYS 14 H CYS 14 -1.257 -5.493 6.338 106 HA CYS 14 HA CYS 14 -1.731 -3.726 8.671 107 1HB CYS 14 1HB CYS 14 0.757 -3.798 9.192 108 2HB CYS 14 2HB CYS 14 -0.207 -5.201 9.679 109 HG CYS 14 HG CYS 14 0.431 -6.792 7.805 110 H ARG 15 H ARG 15 0.774 -4.172 6.071 111 HA ARG 15 HA ARG 15 1.073 -1.318 5.976 112 1HB ARG 15 1HB ARG 15 2.108 -3.473 4.080 113 2HB ARG 15 2HB ARG 15 2.632 -1.785 4.099 114 1HG ARG 15 1HG ARG 15 3.446 -1.981 6.374 115 2HG ARG 15 2HG ARG 15 2.882 -3.644 6.513 116 1HD ARG 15 1HD ARG 15 4.960 -2.710 4.500 117 2HD ARG 15 2HD ARG 15 5.298 -3.412 6.084 118 HE ARG 15 HE ARG 15 3.635 -5.269 4.874 119 1HH1 ARG 15 1HH2 ARG 15 6.919 -3.941 4.340 120 2HH1 ARG 15 2HH2 ARG 15 7.397 -5.327 3.378 121 1HH2 ARG 15 1HH1 ARG 15 4.513 -7.191 3.822 122 2HH2 ARG 15 2HH1 ARG 15 6.139 -7.059 3.135 123 H SER 16 H SER 16 -0.447 -3.639 3.644 124 HA SER 16 HA SER 16 -1.155 -1.743 1.753 125 1HB SER 16 1HB SER 16 -2.837 -4.155 2.469 126 2HB SER 16 2HB SER 16 -2.715 -3.327 0.907 127 HG SER 16 HG SER 16 -1.470 -5.179 0.888 128 HA PRO 17 HA PRO 17 -5.315 -0.764 3.827 129 1HB PRO 17 1HB PRO 17 -5.682 -1.156 6.550 130 2HB PRO 17 2HB PRO 17 -6.209 -2.255 5.255 131 1HG PRO 17 1HG PRO 17 -3.708 -2.407 6.940 132 2HG PRO 17 2HG PRO 17 -4.823 -3.735 6.513 133 1HD PRO 17 1HD PRO 17 -2.515 -3.369 5.159 134 2HD PRO 17 2HD PRO 17 -4.008 -3.850 4.306 135 H THR 18 H THR 18 -2.346 -0.439 5.851 136 HA THR 18 HA THR 18 -3.049 2.119 6.955 137 HB THR 18 HB THR 18 -0.339 0.838 6.411 138 HG1 THR 18 1HG THR 18 -1.339 -0.405 7.831 139 1HG2 THR 18 1HG2 THR 18 0.428 2.355 8.280 140 2HG2 THR 18 2HG2 THR 18 0.041 3.197 6.777 141 3HG2 THR 18 3HG2 THR 18 -1.114 3.232 8.124 142 H ALA 19 H ALA 19 -1.098 1.174 4.048 143 HA ALA 19 HA ALA 19 -0.626 3.805 3.091 144 1HB ALA 19 1HB ALA 19 0.628 2.053 2.099 145 2HB ALA 19 2HB ALA 19 -0.818 1.064 1.786 146 3HB ALA 19 3HB ALA 19 -0.536 2.532 0.840 147 H GLU 20 H GLU 20 -3.260 1.471 2.333 148 HA GLU 20 HA GLU 20 -4.564 2.987 0.370 149 1HB GLU 20 1HB GLU 20 -5.004 0.603 0.923 150 2HB GLU 20 2HB GLU 20 -5.687 1.090 2.472 151 1HG GLU 20 1HG GLU 20 -7.218 2.585 0.695 152 2HG GLU 20 2HG GLU 20 -6.836 1.150 -0.244 153 H ARG 21 H ARG 21 -5.311 2.823 3.913 154 HA ARG 21 HA ARG 21 -7.361 4.798 3.735 155 1HB ARG 21 1HB ARG 21 -5.722 3.623 6.005 156 2HB ARG 21 2HB ARG 21 -6.991 4.812 6.288 157 1HG ARG 21 1HG ARG 21 -7.525 2.179 4.843 158 2HG ARG 21 2HG ARG 21 -7.643 2.392 6.588 159 1HD ARG 21 1HD ARG 21 -9.165 4.420 6.059 160 2HD ARG 21 2HD ARG 21 -9.366 3.685 4.454 161 HE ARG 21 HE ARG 21 -10.214 2.686 7.115 162 1HH1 ARG 21 1HH2 ARG 21 -9.895 1.610 3.683 163 2HH1 ARG 21 2HH2 ARG 21 -11.281 0.602 3.794 164 1HH2 ARG 21 1HH1 ARG 21 -11.977 1.300 7.194 165 2HH2 ARG 21 2HH1 ARG 21 -12.426 0.338 5.834 166 H LEU 22 H LEU 22 -3.840 5.109 4.402 167 HA LEU 22 HA LEU 22 -3.879 7.887 5.087 168 1HB LEU 22 1HB LEU 22 -1.839 6.063 3.766 169 2HB LEU 22 2HB LEU 22 -1.525 7.778 3.946 170 HG LEU 22 HG LEU 22 -2.238 6.070 6.357 171 1HD1 LEU 22 1HD1 LEU 22 -0.303 5.026 5.338 172 2HD1 LEU 22 2HD1 LEU 22 0.478 6.580 5.077 173 3HD1 LEU 22 3HD1 LEU 22 0.255 5.957 6.737 174 1HD2 LEU 22 1HD2 LEU 22 -1.020 7.865 7.560 175 2HD2 LEU 22 2HD2 LEU 22 -0.770 8.732 6.031 176 3HD2 LEU 22 3HD2 LEU 22 -2.407 8.509 6.679 177 H LEU 23 H LEU 23 -3.567 6.238 1.877 178 HA LEU 23 HA LEU 23 -3.426 8.684 0.396 179 1HB LEU 23 1HB LEU 23 -4.170 5.835 -0.345 180 2HB LEU 23 2HB LEU 23 -4.165 7.137 -1.531 181 HG LEU 23 HG LEU 23 -1.701 6.531 0.147 182 1HD1 LEU 23 1HD1 LEU 23 -2.522 5.289 -2.507 183 2HD1 LEU 23 2HD1 LEU 23 -0.872 5.262 -1.856 184 3HD1 LEU 23 3HD1 LEU 23 -2.168 4.457 -0.965 185 1HD2 LEU 23 1HD2 LEU 23 -0.524 7.636 -1.727 186 2HD2 LEU 23 2HD2 LEU 23 -2.069 7.927 -2.546 187 3HD2 LEU 23 3HD2 LEU 23 -1.703 8.725 -1.002 188 H GLN 24 H GLN 24 -6.245 6.682 1.423 189 HA GLN 24 HA GLN 24 -8.196 8.237 0.025 190 1HB GLN 24 1HB GLN 24 -8.380 6.608 2.599 191 2HB GLN 24 2HB GLN 24 -9.758 7.382 1.835 192 1HG GLN 24 1HG GLN 24 -8.046 5.205 0.568 193 2HG GLN 24 2HG GLN 24 -9.647 4.998 1.269 194 1HE2 GLN 24 2HE2 GLN 24 -11.436 6.488 0.213 195 2HE2 GLN 24 1HE2 GLN 24 -11.268 6.747 -1.527 196 H ARG 25 H ARG 25 -6.729 8.658 3.331 197 HA ARG 25 HA ARG 25 -8.321 10.906 3.988 198 1HB ARG 25 1HB ARG 25 -7.100 9.739 5.688 199 2HB ARG 25 2HB ARG 25 -5.546 10.064 4.920 200 1HG ARG 25 1HG ARG 25 -5.604 12.377 5.454 201 2HG ARG 25 2HG ARG 25 -7.321 12.342 5.875 202 1HD ARG 25 1HD ARG 25 -5.206 10.789 7.419 203 2HD ARG 25 2HD ARG 25 -5.680 12.452 7.818 204 HE ARG 25 HE ARG 25 -8.067 11.069 7.653 205 1HH1 ARG 25 1HH2 ARG 25 -5.182 10.840 9.712 206 2HH1 ARG 25 2HH2 ARG 25 -6.019 10.166 11.067 207 1HH2 ARG 25 1HH1 ARG 25 -9.188 10.208 9.415 208 2HH2 ARG 25 2HH1 ARG 25 -8.368 9.717 10.848 209 H TYR 26 H TYR 26 -5.092 10.752 2.357 210 HA TYR 26 HA TYR 26 -4.935 13.580 2.094 211 1HB TYR 26 1HB TYR 26 -3.527 11.400 0.517 212 2HB TYR 26 2HB TYR 26 -3.137 13.118 0.454 213 HD1 TYR 26 HD1 TYR 26 -1.874 10.225 1.742 214 HD2 TYR 26 HD2 TYR 26 -3.024 14.167 3.073 215 HE1 TYR 26 HE1 TYR 26 -0.400 9.998 3.730 216 HE2 TYR 26 HE2 TYR 26 -1.579 13.932 5.054 217 HH TYR 26 HH TYR 26 -0.156 12.524 6.248 218 H HIS 27 H HIS 27 -6.522 11.187 -0.010 219 HA HIS 27 HA HIS 27 -7.594 13.451 -1.620 220 1HB HIS 27 1HB HIS 27 -6.287 10.922 -2.671 221 2HB HIS 27 2HB HIS 27 -7.430 11.883 -3.609 222 HD1 HIS 27 HD1 HIS 27 -6.669 14.508 -4.124 223 HD2 HIS 27 HD2 HIS 27 -3.741 11.746 -2.860 224 HE1 HIS 27 HE1 HIS 27 -4.414 15.481 -4.788 225 HA PRO 28 HA PRO 28 -10.899 10.823 0.266 226 1HB PRO 28 1HB PRO 28 -12.358 13.416 -0.261 227 2HB PRO 28 2HB PRO 28 -12.503 12.304 1.138 228 1HG PRO 28 1HG PRO 28 -11.045 14.572 1.362 229 2HG PRO 28 2HG PRO 28 -10.401 13.032 2.024 230 1HD PRO 28 1HD PRO 28 -9.716 14.380 -0.599 231 2HD PRO 28 2HD PRO 28 -8.631 13.630 0.608 232 H GLU 29 H GLU 29 -10.783 12.577 -2.799 233 HA GLU 29 HA GLU 29 -13.284 11.523 -3.848 234 1HB GLU 29 1HB GLU 29 -10.917 12.737 -5.344 235 2HB GLU 29 2HB GLU 29 -12.575 12.553 -5.930 236 1HG GLU 29 1HG GLU 29 -13.309 14.094 -4.048 237 2HG GLU 29 2HG GLU 29 -11.595 14.381 -3.708 238 H LEU 30 H LEU 30 -10.147 10.205 -3.385 239 HA LEU 30 HA LEU 30 -9.898 8.800 -5.900 240 1HB LEU 30 1HB LEU 30 -8.114 9.861 -4.372 241 2HB LEU 30 2HB LEU 30 -8.310 8.464 -3.319 242 HG LEU 30 HG LEU 30 -7.424 6.996 -5.081 243 1HD1 LEU 30 1HD1 LEU 30 -7.369 9.553 -6.752 244 2HD1 LEU 30 2HD1 LEU 30 -6.488 8.060 -7.178 245 3HD1 LEU 30 3HD1 LEU 30 -8.251 8.060 -7.109 246 1HD2 LEU 30 1HD2 LEU 30 -5.781 9.541 -4.669 247 2HD2 LEU 30 2HD2 LEU 30 -5.874 8.168 -3.547 248 3HD2 LEU 30 3HD2 LEU 30 -5.131 7.965 -5.141 249 H LYS 31 H LYS 31 -9.516 6.437 -6.002 250 HA LYS 31 HA LYS 31 -10.848 4.874 -3.829 251 1HB LYS 31 1HB LYS 31 -12.247 4.794 -5.816 252 2HB LYS 31 2HB LYS 31 -10.858 4.388 -6.836 253 1HG LYS 31 1HG LYS 31 -10.587 2.233 -5.781 254 2HG LYS 31 2HG LYS 31 -11.823 2.612 -4.563 255 1HD LYS 31 1HD LYS 31 -13.587 2.611 -6.254 256 2HD LYS 31 2HD LYS 31 -12.393 2.552 -7.556 257 1HE LYS 31 1HE LYS 31 -13.236 0.332 -7.368 258 2HE LYS 31 2HE LYS 31 -11.602 0.336 -6.707 259 1HZ LYS 31 1HZ LYS 31 -14.144 0.109 -5.249 260 2HZ LYS 31 2HZ LYS 31 -12.804 -0.855 -5.177 261 3HZ LYS 31 3HZ LYS 31 -12.792 0.611 -4.470 262 H VAL 32 H VAL 32 -9.356 3.818 -2.759 263 HA VAL 32 HA VAL 32 -7.192 2.476 -4.244 264 HB VAL 32 HB VAL 32 -6.796 3.678 -1.475 265 1HG1 VAL 32 1HG1 VAL 32 -4.391 3.215 -1.966 266 2HG1 VAL 32 2HG1 VAL 32 -5.356 1.738 -1.983 267 3HG1 VAL 32 3HG1 VAL 32 -4.858 2.480 -3.510 268 1HG2 VAL 32 1HG2 VAL 32 -5.253 5.321 -2.567 269 2HG2 VAL 32 2HG2 VAL 32 -5.893 4.838 -4.145 270 3HG2 VAL 32 3HG2 VAL 32 -6.943 5.600 -2.959 271 H GLU 33 H GLU 33 -6.976 0.313 -3.588 272 HA GLU 33 HA GLU 33 -8.407 -0.524 -1.109 273 1HB GLU 33 1HB GLU 33 -8.607 -1.842 -3.839 274 2HB GLU 33 2HB GLU 33 -8.941 -2.701 -2.327 275 1HG GLU 33 1HG GLU 33 -10.604 -0.942 -1.708 276 2HG GLU 33 2HG GLU 33 -10.377 -0.200 -3.302 277 H SER 34 H SER 34 -7.592 -2.823 -0.514 278 HA SER 34 HA SER 34 -4.625 -2.798 -0.752 279 1HB SER 34 1HB SER 34 -4.841 -3.361 1.771 280 2HB SER 34 2HB SER 34 -5.059 -1.688 1.237 281 HG SER 34 HG SER 34 -7.213 -1.811 1.585 282 H ALA 35 H ALA 35 -3.594 -4.759 -0.898 283 HA ALA 35 HA ALA 35 -5.071 -7.282 -0.468 284 1HB ALA 35 1HB ALA 35 -4.586 -8.032 -2.778 285 2HB ALA 35 2HB ALA 35 -5.583 -6.573 -2.812 286 3HB ALA 35 3HB ALA 35 -3.840 -6.462 -3.144 287 H GLY 36 H GLY 36 -3.357 -9.158 -1.242 288 1HA GLY 36 1HA GLY 36 -0.590 -8.242 -1.011 289 2HA GLY 36 2HA GLY 36 -1.141 -9.262 0.299 290 H LEU 37 H LEU 37 1.044 -9.797 -1.235 291 HA LEU 37 HA LEU 37 0.491 -11.838 -3.254 292 1HB LEU 37 1HB LEU 37 2.933 -10.761 -1.817 293 2HB LEU 37 2HB LEU 37 3.060 -12.260 -2.720 294 HG LEU 37 HG LEU 37 1.957 -9.763 -4.043 295 1HD1 LEU 37 1HD1 LEU 37 4.868 -10.658 -3.887 296 2HD1 LEU 37 2HD1 LEU 37 4.227 -9.339 -4.901 297 3HD1 LEU 37 3HD1 LEU 37 4.167 -9.208 -3.136 298 1HD2 LEU 37 1HD2 LEU 37 2.688 -10.885 -6.106 299 2HD2 LEU 37 2HD2 LEU 37 3.381 -12.226 -5.169 300 3HD2 LEU 37 3HD2 LEU 37 1.632 -11.982 -5.203 301 H GLY 38 H GLY 38 0.629 -11.775 0.213 302 1HA GLY 38 1HA GLY 38 0.217 -14.697 0.298 303 2HA GLY 38 2HA GLY 38 1.554 -14.026 1.268 304 H ALA 39 H ALA 39 -1.799 -13.092 0.376 305 HA ALA 39 HA ALA 39 -2.175 -11.601 2.845 306 1HB ALA 39 1HB ALA 39 -3.117 -10.929 0.611 307 2HB ALA 39 2HB ALA 39 -4.129 -12.394 0.645 308 3HB ALA 39 3HB ALA 39 -4.375 -11.115 1.845 309 H LEU 40 H LEU 40 -4.297 -11.903 4.020 310 HA LEU 40 HA LEU 40 -4.979 -14.785 4.483 311 1HB LEU 40 1HB LEU 40 -4.749 -12.487 6.482 312 2HB LEU 40 2HB LEU 40 -5.484 -14.059 6.790 313 HG LEU 40 HG LEU 40 -3.182 -15.085 6.185 314 1HD1 LEU 40 1HD1 LEU 40 -2.001 -13.085 5.332 315 2HD1 LEU 40 2HD1 LEU 40 -2.318 -12.224 6.849 316 3HD1 LEU 40 3HD1 LEU 40 -1.243 -13.636 6.815 317 1HD2 LEU 40 1HD2 LEU 40 -2.438 -14.819 8.526 318 2HD2 LEU 40 2HD2 LEU 40 -3.553 -13.451 8.734 319 3HD2 LEU 40 3HD2 LEU 40 -4.182 -15.087 8.438 320 H VAL 41 H VAL 41 -6.658 -14.577 2.916 321 HA VAL 41 HA VAL 41 -8.228 -12.402 2.422 322 HB VAL 41 HB VAL 41 -9.233 -15.273 2.300 323 1HG1 VAL 41 1HG1 VAL 41 -9.887 -12.811 0.610 324 2HG1 VAL 41 2HG1 VAL 41 -10.499 -14.456 0.332 325 3HG1 VAL 41 3HG1 VAL 41 -10.962 -13.583 1.793 326 1HG2 VAL 41 1HG2 VAL 41 -8.292 -15.261 -0.041 327 2HG2 VAL 41 2HG2 VAL 41 -7.418 -13.771 0.371 328 3HG2 VAL 41 3HG2 VAL 41 -7.064 -15.291 1.217 329 H GLY 42 H GLY 42 -9.730 -11.235 3.457 330 1HA GLY 42 1HA GLY 42 -11.439 -10.644 4.825 331 2HA GLY 42 2HA GLY 42 -11.846 -12.356 4.967 332 H LYS 43 H LYS 43 -8.623 -11.753 6.132 333 HA LYS 43 HA LYS 43 -9.463 -12.533 8.751 334 1HB LYS 43 1HB LYS 43 -7.394 -13.196 7.636 335 2HB LYS 43 2HB LYS 43 -6.742 -11.561 7.768 336 1HG LYS 43 1HG LYS 43 -7.650 -13.001 10.264 337 2HG LYS 43 2HG LYS 43 -6.175 -13.557 9.494 338 1HD LYS 43 1HD LYS 43 -4.975 -11.633 9.900 339 2HD LYS 43 2HD LYS 43 -6.380 -10.593 9.999 340 1HE LYS 43 1HE LYS 43 -5.501 -12.609 12.113 341 2HE LYS 43 2HE LYS 43 -5.307 -10.855 12.177 342 1HZ LYS 43 1HZ LYS 43 -7.224 -11.295 13.413 343 2HZ LYS 43 2HZ LYS 43 -7.836 -10.800 11.961 344 3HZ LYS 43 3HZ LYS 43 -7.817 -12.379 12.351 345 H GLY 44 H GLY 44 -9.444 -9.331 7.452 346 1HA GLY 44 1HA GLY 44 -9.898 -7.338 8.569 347 2HA GLY 44 2HA GLY 44 -9.657 -8.130 10.125 348 H ALA 45 H ALA 45 -8.476 -5.660 9.749 349 HA ALA 45 HA ALA 45 -5.688 -5.953 8.954 350 1HB ALA 45 1HB ALA 45 -5.410 -3.765 10.132 351 2HB ALA 45 2HB ALA 45 -6.668 -3.735 8.889 352 3HB ALA 45 3HB ALA 45 -7.122 -3.832 10.604 353 H ASP 46 H ASP 46 -3.897 -5.906 10.429 354 HA ASP 46 HA ASP 46 -4.087 -7.785 12.580 355 1HB ASP 46 1HB ASP 46 -2.051 -7.467 11.252 356 2HB ASP 46 2HB ASP 46 -1.899 -5.804 11.832 357 HA PRO 47 HA PRO 47 -5.591 -5.037 15.784 358 1HB PRO 47 1HB PRO 47 -3.747 -6.651 17.557 359 2HB PRO 47 2HB PRO 47 -5.432 -6.125 17.869 360 1HG PRO 47 1HG PRO 47 -4.936 -8.654 17.043 361 2HG PRO 47 2HG PRO 47 -6.295 -7.731 16.320 362 1HD PRO 47 1HD PRO 47 -3.544 -8.233 15.180 363 2HD PRO 47 2HD PRO 47 -5.140 -8.264 14.366 364 H THR 48 H THR 48 -2.066 -5.508 15.389 365 HA THR 48 HA THR 48 -1.405 -3.274 17.161 366 HB THR 48 HB THR 48 0.632 -4.279 15.261 367 HG1 THR 48 1HG THR 48 -0.364 -6.142 15.510 368 1HG2 THR 48 1HG2 THR 48 2.014 -4.404 17.289 369 2HG2 THR 48 2HG2 THR 48 1.195 -2.835 17.173 370 3HG2 THR 48 3HG2 THR 48 0.587 -4.069 18.299 371 H ALA 49 H ALA 49 -1.873 -3.914 13.680 372 HA ALA 49 HA ALA 49 -0.871 -1.355 12.767 373 1HB ALA 49 1HB ALA 49 -1.183 -3.336 11.276 374 2HB ALA 49 2HB ALA 49 -2.934 -3.233 11.517 375 3HB ALA 49 3HB ALA 49 -2.070 -1.910 10.704 376 H ILE 50 H ILE 50 -4.083 -2.686 13.712 377 HA ILE 50 HA ILE 50 -5.570 -0.314 13.286 378 HB ILE 50 HB ILE 50 -5.992 -2.578 15.256 379 1HG1 ILE 50 1HG1 ILE 50 -7.385 -2.043 12.590 380 2HG1 ILE 50 2HG1 ILE 50 -6.010 -3.126 12.754 381 1HG2 ILE 50 1HG2 ILE 50 -7.276 -0.595 16.011 382 2HG2 ILE 50 2HG2 ILE 50 -7.989 -0.433 14.393 383 3HG2 ILE 50 3HG2 ILE 50 -8.361 -1.833 15.422 384 1HD1 ILE 50 1HD1 ILE 50 -7.321 -4.538 14.345 385 2HD1 ILE 50 2HD1 ILE 50 -8.743 -3.510 14.035 386 3HD1 ILE 50 3HD1 ILE 50 -8.024 -4.440 12.721 387 H SER 51 H SER 51 -3.899 -1.438 16.386 388 HA SER 51 HA SER 51 -4.850 0.817 17.808 389 1HB SER 51 1HB SER 51 -3.109 0.224 19.475 390 2HB SER 51 2HB SER 51 -4.135 -1.133 18.987 391 HG SER 51 HG SER 51 -1.907 -1.663 19.078 392 H VAL 52 H VAL 52 -1.673 0.316 16.125 393 HA VAL 52 HA VAL 52 -0.667 2.887 16.788 394 HB VAL 52 HB VAL 52 -0.064 0.948 14.528 395 1HG1 VAL 52 1HG1 VAL 52 0.586 3.181 13.709 396 2HG1 VAL 52 2HG1 VAL 52 1.486 3.482 15.212 397 3HG1 VAL 52 3HG1 VAL 52 1.994 2.199 14.085 398 1HG2 VAL 52 1HG2 VAL 52 1.398 1.744 17.101 399 2HG2 VAL 52 2HG2 VAL 52 0.552 0.211 16.819 400 3HG2 VAL 52 3HG2 VAL 52 2.012 0.599 15.902 401 H ALA 53 H ALA 53 -2.833 1.869 14.046 402 HA ALA 53 HA ALA 53 -2.714 4.510 12.869 403 1HB ALA 53 1HB ALA 53 -3.260 2.409 11.633 404 2HB ALA 53 2HB ALA 53 -4.810 2.341 12.514 405 3HB ALA 53 3HB ALA 53 -4.446 3.700 11.419 406 H ALA 54 H ALA 54 -4.740 3.014 15.403 407 HA ALA 54 HA ALA 54 -6.722 5.062 15.483 408 1HB ALA 54 1HB ALA 54 -7.252 4.202 17.700 409 2HB ALA 54 2HB ALA 54 -6.980 2.852 16.583 410 3HB ALA 54 3HB ALA 54 -5.729 3.303 17.766 411 H GLU 55 H GLU 55 -3.420 4.872 16.939 412 HA GLU 55 HA GLU 55 -3.612 7.257 18.451 413 1HB GLU 55 1HB GLU 55 -1.181 6.117 17.013 414 2HB GLU 55 2HB GLU 55 -1.147 7.398 18.214 415 1HG GLU 55 1HG GLU 55 -2.080 5.887 19.920 416 2HG GLU 55 2HG GLU 55 -2.154 4.577 18.747 417 H HIS 56 H HIS 56 -3.877 6.930 15.060 418 HA HIS 56 HA HIS 56 -3.513 9.857 14.641 419 1HB HIS 56 1HB HIS 56 -3.090 7.539 12.728 420 2HB HIS 56 2HB HIS 56 -2.981 9.246 12.292 421 HD1 HIS 56 HD1 HIS 56 -0.905 10.641 13.637 422 HD2 HIS 56 HD2 HIS 56 -0.877 6.432 13.652 423 HE1 HIS 56 HE1 HIS 56 1.436 9.943 14.344 424 H GLN 57 H GLN 57 -5.864 7.889 15.406 425 HA GLN 57 HA GLN 57 -8.053 7.588 14.932 426 1HB GLN 57 1HB GLN 57 -7.799 10.484 14.032 427 2HB GLN 57 2HB GLN 57 -9.305 9.677 14.461 428 1HG GLN 57 1HG GLN 57 -6.979 10.090 16.400 429 2HG GLN 57 2HG GLN 57 -8.367 11.153 16.248 430 1HE2 GLN 57 2HE2 GLN 57 -7.322 7.902 17.341 431 2HE2 GLN 57 1HE2 GLN 57 -8.785 7.571 18.238 432 H LEU 58 H LEU 58 -6.595 6.353 12.998 433 HA LEU 58 HA LEU 58 -8.025 6.983 10.442 434 1HB LEU 58 1HB LEU 58 -5.700 7.765 10.553 435 2HB LEU 58 2HB LEU 58 -5.141 6.143 10.905 436 HG LEU 58 HG LEU 58 -4.827 7.137 8.583 437 1HD1 LEU 58 1HD1 LEU 58 -4.521 4.724 9.206 438 2HD1 LEU 58 2HD1 LEU 58 -6.162 4.428 8.603 439 3HD1 LEU 58 3HD1 LEU 58 -4.881 5.045 7.516 440 1HD2 LEU 58 1HD2 LEU 58 -7.725 6.316 8.143 441 2HD2 LEU 58 2HD2 LEU 58 -7.158 7.991 8.307 442 3HD2 LEU 58 3HD2 LEU 58 -6.588 7.008 6.964 443 H SER 59 H SER 59 -9.613 5.505 10.748 444 HA SER 59 HA SER 59 -9.327 3.064 12.065 445 1HB SER 59 1HB SER 59 -11.531 3.898 10.144 446 2HB SER 59 2HB SER 59 -11.651 2.751 11.492 447 HG SER 59 HG SER 59 -12.439 4.837 12.041 448 H LEU 60 H LEU 60 -8.007 1.442 11.317 449 HA LEU 60 HA LEU 60 -8.347 0.422 8.538 450 1HB LEU 60 1HB LEU 60 -6.696 -0.822 10.761 451 2HB LEU 60 2HB LEU 60 -6.577 -1.097 9.032 452 HG LEU 60 HG LEU 60 -5.683 1.342 10.589 453 1HD1 LEU 60 1HD1 LEU 60 -3.452 0.662 9.859 454 2HD1 LEU 60 2HD1 LEU 60 -4.249 -0.675 10.697 455 3HD1 LEU 60 3HD1 LEU 60 -4.130 -0.686 8.925 456 1HD2 LEU 60 1HD2 LEU 60 -5.666 0.931 7.576 457 2HD2 LEU 60 2HD2 LEU 60 -6.536 2.175 8.498 458 3HD2 LEU 60 3HD2 LEU 60 -4.773 2.202 8.442 459 H GLU 61 H GLU 61 -10.147 0.258 11.277 460 HA GLU 61 HA GLU 61 -10.160 -2.346 12.199 461 1HB GLU 61 1HB GLU 61 -11.167 -0.338 13.259 462 2HB GLU 61 2HB GLU 61 -12.505 -0.408 12.106 463 1HG GLU 61 1HG GLU 61 -13.155 -2.629 12.991 464 2HG GLU 61 2HG GLU 61 -11.762 -2.618 14.077 465 H GLY 62 H GLY 62 -12.044 -1.129 9.370 466 1HA GLY 62 1HA GLY 62 -13.385 -3.756 9.156 467 2HA GLY 62 2HA GLY 62 -13.882 -2.240 8.406 468 H HIS 63 H HIS 63 -10.464 -3.040 8.221 469 HA HIS 63 HA HIS 63 -10.344 -3.102 5.392 470 1HB HIS 63 1HB HIS 63 -8.365 -2.687 6.710 471 2HB HIS 63 2HB HIS 63 -8.553 -4.216 7.571 472 HD1 HIS 63 HD1 HIS 63 -8.089 -3.365 3.748 473 HD2 HIS 63 HD2 HIS 63 -6.775 -5.921 6.830 474 HE1 HIS 63 HE1 HIS 63 -6.526 -5.012 2.687 475 H CYS 64 H CYS 64 -10.396 -4.754 3.893 476 HA CYS 64 HA CYS 64 -10.897 -7.532 4.838 477 1HB CYS 64 1HB CYS 64 -12.197 -7.712 2.600 478 2HB CYS 64 2HB CYS 64 -12.977 -7.026 4.028 479 HG CYS 64 HG CYS 64 -13.782 -5.733 1.929 480 H ALA 65 H ALA 65 -8.852 -8.224 4.712 481 HA ALA 65 HA ALA 65 -6.994 -7.716 2.608 482 1HB ALA 65 1HB ALA 65 -6.214 -8.470 4.770 483 2HB ALA 65 2HB ALA 65 -7.271 -9.890 4.725 484 3HB ALA 65 3HB ALA 65 -5.881 -9.784 3.630 485 H ARG 66 H ARG 66 -6.180 -9.346 1.071 486 HA ARG 66 HA ARG 66 -8.004 -11.398 0.120 487 1HB ARG 66 1HB ARG 66 -8.732 -10.317 -1.936 488 2HB ARG 66 2HB ARG 66 -9.266 -9.376 -0.551 489 1HG ARG 66 1HG ARG 66 -7.079 -7.958 -0.973 490 2HG ARG 66 2HG ARG 66 -7.074 -8.755 -2.551 491 1HD ARG 66 1HD ARG 66 -8.185 -6.705 -2.876 492 2HD ARG 66 2HD ARG 66 -9.492 -7.908 -2.805 493 HE ARG 66 HE ARG 66 -8.973 -6.883 -0.184 494 1HH1 ARG 66 1HH2 ARG 66 -10.306 -5.703 -3.268 495 2HH1 ARG 66 2HH2 ARG 66 -11.221 -4.433 -2.507 496 1HH2 ARG 66 1HH1 ARG 66 -10.271 -5.374 0.778 497 2HH2 ARG 66 2HH1 ARG 66 -11.200 -4.238 -0.164 498 H GLN 67 H GLN 67 -6.964 -12.708 -1.388 499 HA GLN 67 HA GLN 67 -4.073 -12.315 -1.654 500 1HB GLN 67 1HB GLN 67 -5.067 -14.534 -1.113 501 2HB GLN 67 2HB GLN 67 -5.977 -14.499 -2.623 502 1HG GLN 67 1HG GLN 67 -4.016 -15.950 -2.765 503 2HG GLN 67 2HG GLN 67 -3.933 -14.631 -3.924 504 1HE2 GLN 67 2HE2 GLN 67 -1.611 -14.918 -4.111 505 2HE2 GLN 67 1HE2 GLN 67 -0.528 -14.451 -2.809 506 H ILE 68 H ILE 68 -3.077 -11.469 -3.284 507 HA ILE 68 HA ILE 68 -4.497 -10.106 -5.317 508 HB ILE 68 HB ILE 68 -2.222 -9.545 -4.384 509 1HG1 ILE 68 1HG1 ILE 68 -1.197 -8.846 -6.564 510 2HG1 ILE 68 2HG1 ILE 68 -2.467 -9.714 -7.410 511 1HG2 ILE 68 1HG2 ILE 68 -0.235 -10.582 -5.187 512 2HG2 ILE 68 2HG2 ILE 68 -1.269 -11.883 -4.554 513 3HG2 ILE 68 3HG2 ILE 68 -1.124 -11.636 -6.303 514 1HD1 ILE 68 1HD1 ILE 68 -2.831 -7.407 -5.449 515 2HD1 ILE 68 2HD1 ILE 68 -2.937 -7.297 -7.217 516 3HD1 ILE 68 3HD1 ILE 68 -4.151 -8.220 -6.313 517 H SER 69 H SER 69 -4.693 -10.545 -7.521 518 HA SER 69 HA SER 69 -3.940 -13.192 -8.563 519 1HB SER 69 1HB SER 69 -6.186 -13.643 -9.363 520 2HB SER 69 2HB SER 69 -6.280 -13.335 -7.614 521 HG SER 69 HG SER 69 -7.886 -12.191 -8.649 522 H ARG 70 H ARG 70 -4.172 -13.089 -11.077 523 HA ARG 70 HA ARG 70 -3.148 -10.610 -12.094 524 1HB ARG 70 1HB ARG 70 -2.767 -12.748 -13.235 525 2HB ARG 70 2HB ARG 70 -4.496 -12.918 -13.569 526 1HG ARG 70 1HG ARG 70 -4.468 -10.949 -15.016 527 2HG ARG 70 2HG ARG 70 -2.778 -10.607 -14.599 528 1HD ARG 70 1HD ARG 70 -2.036 -12.631 -15.710 529 2HD ARG 70 2HD ARG 70 -3.715 -13.164 -15.950 530 HE ARG 70 HE ARG 70 -3.338 -10.587 -17.162 531 1HH1 ARG 70 1HH2 ARG 70 -2.467 -14.001 -17.715 532 2HH1 ARG 70 2HH2 ARG 70 -2.513 -13.856 -19.433 533 1HH2 ARG 70 1HH1 ARG 70 -3.438 -10.409 -19.314 534 2HH2 ARG 70 2HH1 ARG 70 -3.074 -11.730 -20.408 535 H ARG 71 H ARG 71 -6.486 -11.905 -11.834 536 HA ARG 71 HA ARG 71 -7.798 -9.875 -13.317 537 1HB ARG 71 1HB ARG 71 -8.740 -11.412 -10.857 538 2HB ARG 71 2HB ARG 71 -9.776 -10.419 -11.885 539 1HG ARG 71 1HG ARG 71 -9.284 -11.859 -13.831 540 2HG ARG 71 2HG ARG 71 -8.242 -12.884 -12.837 541 1HD ARG 71 1HD ARG 71 -11.228 -12.445 -12.388 542 2HD ARG 71 2HD ARG 71 -10.504 -13.839 -13.178 543 HE ARG 71 HE ARG 71 -9.546 -14.582 -11.159 544 1HH1 ARG 71 1HH2 ARG 71 -11.731 -11.826 -10.629 545 2HH1 ARG 71 2HH2 ARG 71 -11.873 -12.092 -8.933 546 1HH2 ARG 71 1HH1 ARG 71 -9.753 -14.938 -8.909 547 2HH2 ARG 71 2HH1 ARG 71 -10.733 -13.906 -7.941 548 H LEU 72 H LEU 72 -6.970 -9.965 -9.773 549 HA LEU 72 HA LEU 72 -7.924 -7.314 -9.302 550 1HB LEU 72 1HB LEU 72 -6.076 -9.205 -7.862 551 2HB LEU 72 2HB LEU 72 -5.937 -7.477 -7.511 552 HG LEU 72 HG LEU 72 -8.315 -7.324 -7.021 553 1HD1 LEU 72 1HD1 LEU 72 -8.375 -10.365 -7.172 554 2HD1 LEU 72 2HD1 LEU 72 -9.686 -9.319 -6.596 555 3HD1 LEU 72 3HD1 LEU 72 -9.206 -9.263 -8.294 556 1HD2 LEU 72 1HD2 LEU 72 -6.822 -9.427 -5.389 557 2HD2 LEU 72 2HD2 LEU 72 -6.680 -7.661 -5.209 558 3HD2 LEU 72 3HD2 LEU 72 -8.209 -8.474 -4.832 559 H CYS 73 H CYS 73 -4.610 -8.487 -10.216 560 HA CYS 73 HA CYS 73 -3.392 -5.997 -9.985 561 1HB CYS 73 1HB CYS 73 -2.795 -8.192 -12.028 562 2HB CYS 73 2HB CYS 73 -1.731 -6.820 -11.685 563 HG CYS 73 HG CYS 73 -2.761 -9.194 -9.623 564 H ARG 74 H ARG 74 -5.168 -7.282 -12.876 565 HA ARG 74 HA ARG 74 -4.531 -4.827 -14.338 566 1HB ARG 74 1HB ARG 74 -5.552 -5.847 -16.214 567 2HB ARG 74 2HB ARG 74 -4.584 -7.068 -15.396 568 1HG ARG 74 1HG ARG 74 -6.830 -7.783 -14.261 569 2HG ARG 74 2HG ARG 74 -7.610 -6.809 -15.505 570 1HD ARG 74 1HD ARG 74 -5.791 -9.223 -15.871 571 2HD ARG 74 2HD ARG 74 -7.519 -9.161 -16.202 572 HE ARG 74 HE ARG 74 -5.315 -8.331 -17.896 573 1HH1 ARG 74 1HH1 ARG 74 -8.812 -7.882 -17.366 574 2HH1 ARG 74 2HH1 ARG 74 -9.092 -7.202 -18.925 575 1HH2 ARG 74 1HH2 ARG 74 -5.651 -7.330 -19.865 576 2HH2 ARG 74 2HH2 ARG 74 -7.254 -6.928 -20.422 577 H ASN 75 H ASN 75 -7.034 -5.694 -12.105 578 HA ASN 75 HA ASN 75 -9.176 -4.204 -13.239 579 1HB ASN 75 1HB ASN 75 -9.543 -5.900 -11.514 580 2HB ASN 75 2HB ASN 75 -8.610 -4.962 -10.346 581 1HD2 ASN 75 2HD2 ASN 75 -9.719 -3.398 -9.116 582 2HD2 ASN 75 1HD2 ASN 75 -11.391 -2.980 -9.406 583 H TYR 76 H TYR 76 -6.363 -3.150 -11.344 584 HA TYR 76 HA TYR 76 -7.629 -0.459 -10.994 585 1HB TYR 76 1HB TYR 76 -5.373 -1.628 -9.351 586 2HB TYR 76 2HB TYR 76 -6.189 -0.093 -9.108 587 HD1 TYR 76 HD1 TYR 76 -8.116 0.038 -7.693 588 HD2 TYR 76 HD2 TYR 76 -6.643 -3.777 -8.956 589 HE1 TYR 76 HE1 TYR 76 -9.730 -1.057 -6.191 590 HE2 TYR 76 HE2 TYR 76 -8.242 -4.920 -7.453 591 HH TYR 76 HH TYR 76 -10.618 -3.065 -5.451 592 H ASP 77 H ASP 77 -6.246 1.394 -11.527 593 HA ASP 77 HA ASP 77 -4.814 0.682 -13.990 594 1HB ASP 77 1HB ASP 77 -6.497 2.502 -13.936 595 2HB ASP 77 2HB ASP 77 -5.462 3.410 -12.825 596 H LEU 78 H LEU 78 -3.890 1.440 -10.742 597 HA LEU 78 HA LEU 78 -1.051 1.598 -11.534 598 1HB LEU 78 1HB LEU 78 -1.851 3.915 -11.454 599 2HB LEU 78 2HB LEU 78 -2.535 3.679 -9.862 600 HG LEU 78 HG LEU 78 -0.380 4.986 -10.092 601 1HD1 LEU 78 1HD1 LEU 78 -0.307 2.708 -8.096 602 2HD1 LEU 78 2HD1 LEU 78 0.576 4.241 -8.007 603 3HD1 LEU 78 3HD1 LEU 78 -1.185 4.245 -7.923 604 1HD2 LEU 78 1HD2 LEU 78 0.792 3.415 -11.636 605 2HD2 LEU 78 2HD2 LEU 78 1.725 3.923 -10.219 606 3HD2 LEU 78 3HD2 LEU 78 1.018 2.309 -10.257 607 H ILE 79 H ILE 79 0.172 0.460 -10.060 608 HA ILE 79 HA ILE 79 -1.251 -0.618 -7.674 609 HB ILE 79 HB ILE 79 0.723 -2.097 -9.433 610 1HG1 ILE 79 1HG1 ILE 79 -1.303 -1.795 -10.766 611 2HG1 ILE 79 2HG1 ILE 79 -1.017 -3.471 -10.354 612 1HG2 ILE 79 1HG2 ILE 79 -1.040 -3.036 -7.135 613 2HG2 ILE 79 2HG2 ILE 79 -0.073 -4.109 -8.171 614 3HG2 ILE 79 3HG2 ILE 79 0.728 -2.915 -7.143 615 1HD1 ILE 79 1HD1 ILE 79 -2.998 -1.707 -8.857 616 2HD1 ILE 79 2HD1 ILE 79 -3.416 -2.754 -10.216 617 3HD1 ILE 79 3HD1 ILE 79 -2.801 -3.474 -8.722 618 H LEU 80 H LEU 80 -0.009 -0.474 -5.807 619 HA LEU 80 HA LEU 80 2.871 0.214 -6.143 620 1HB LEU 80 1HB LEU 80 1.004 1.301 -4.014 621 2HB LEU 80 2HB LEU 80 2.770 1.456 -4.023 622 HG LEU 80 HG LEU 80 0.922 2.675 -6.088 623 1HD1 LEU 80 1HD1 LEU 80 2.445 3.963 -3.801 624 2HD1 LEU 80 2HD1 LEU 80 1.515 4.816 -5.050 625 3HD1 LEU 80 3HD1 LEU 80 0.685 3.748 -3.911 626 1HD2 LEU 80 1HD2 LEU 80 3.108 2.180 -7.076 627 2HD2 LEU 80 2HD2 LEU 80 2.924 3.911 -6.833 628 3HD2 LEU 80 3HD2 LEU 80 3.932 2.965 -5.709 629 H THR 81 H THR 81 4.262 -0.665 -4.542 630 HA THR 81 HA THR 81 3.075 -2.531 -2.639 631 HB THR 81 HB THR 81 3.189 -3.793 -4.762 632 HG1 THR 81 1HG THR 81 3.419 -4.791 -2.772 633 1HG2 THR 81 1HG2 THR 81 5.332 -4.464 -5.722 634 2HG2 THR 81 2HG2 THR 81 5.145 -2.708 -5.817 635 3HG2 THR 81 3HG2 THR 81 6.209 -3.422 -4.582 636 H MET 82 H MET 82 4.979 -3.599 -1.273 637 HA MET 82 HA MET 82 6.338 -1.161 -0.329 638 1HB MET 82 1HB MET 82 5.873 -3.892 0.965 639 2HB MET 82 2HB MET 82 6.553 -2.480 1.770 640 1HG MET 82 1HG MET 82 3.751 -2.747 0.626 641 2HG MET 82 2HG MET 82 4.186 -2.705 2.331 642 1HE MET 82 1HE MET 82 2.176 0.632 1.086 643 2HE MET 82 2HE MET 82 2.093 -1.021 0.436 644 3HE MET 82 3HE MET 82 2.016 -0.752 2.191 645 H GLU 83 H GLU 83 7.223 -4.189 -1.882 646 HA GLU 83 HA GLU 83 10.072 -3.697 -1.153 647 1HB GLU 83 1HB GLU 83 8.609 -6.362 -1.059 648 2HB GLU 83 2HB GLU 83 10.328 -6.115 -0.769 649 1HG GLU 83 1HG GLU 83 9.873 -4.823 1.250 650 2HG GLU 83 2HG GLU 83 8.136 -4.863 0.950 651 H LYS 84 H LYS 84 11.597 -4.328 -2.714 652 HA LYS 84 HA LYS 84 10.691 -4.055 -5.393 653 1HB LYS 84 1HB LYS 84 13.362 -4.905 -4.201 654 2HB LYS 84 2HB LYS 84 13.131 -4.581 -5.923 655 1HG LYS 84 1HG LYS 84 12.847 -2.303 -5.642 656 2HG LYS 84 2HG LYS 84 12.174 -2.450 -4.023 657 1HD LYS 84 1HD LYS 84 14.405 -2.998 -3.105 658 2HD LYS 84 2HD LYS 84 15.119 -2.748 -4.719 659 1HE LYS 84 1HE LYS 84 14.385 -0.429 -4.752 660 2HE LYS 84 2HE LYS 84 13.394 -0.662 -3.309 661 1HZ LYS 84 1HZ LYS 84 15.387 0.480 -2.796 662 2HZ LYS 84 2HZ LYS 84 15.370 -0.934 -1.994 663 3HZ LYS 84 3HZ LYS 84 16.348 -0.754 -3.323 664 H ARG 85 H ARG 85 11.593 -6.995 -3.545 665 HA ARG 85 HA ARG 85 11.272 -8.847 -5.692 666 1HB ARG 85 1HB ARG 85 10.839 -10.527 -3.969 667 2HB ARG 85 2HB ARG 85 12.262 -9.553 -3.608 668 1HG ARG 85 1HG ARG 85 11.020 -8.273 -1.918 669 2HG ARG 85 2HG ARG 85 9.522 -9.125 -2.329 670 1HD ARG 85 1HD ARG 85 10.510 -11.260 -1.621 671 2HD ARG 85 2HD ARG 85 12.028 -10.433 -1.204 672 HE ARG 85 HE ARG 85 10.254 -9.001 0.259 673 1HH1 ARG 85 1HH2 ARG 85 10.725 -12.532 0.089 674 2HH1 ARG 85 2HH2 ARG 85 10.137 -12.792 1.690 675 1HH2 ARG 85 1HH1 ARG 85 9.534 -9.299 2.213 676 2HH2 ARG 85 2HH1 ARG 85 9.438 -10.870 2.996 677 H HIS 86 H HIS 86 8.784 -7.048 -3.867 678 HA HIS 86 HA HIS 86 6.649 -8.839 -4.723 679 1HB HIS 86 1HB HIS 86 6.462 -5.969 -3.754 680 2HB HIS 86 2HB HIS 86 5.138 -7.088 -3.978 681 HD1 HIS 86 HD1 HIS 86 7.214 -9.385 -2.284 682 HD2 HIS 86 HD2 HIS 86 5.353 -5.766 -1.238 683 HE1 HIS 86 HE1 HIS 86 7.055 -9.362 0.251 684 H ILE 87 H ILE 87 8.162 -5.770 -5.917 685 HA ILE 87 HA ILE 87 6.311 -5.299 -8.015 686 HB ILE 87 HB ILE 87 9.315 -4.767 -8.062 687 1HG1 ILE 87 1HG1 ILE 87 7.088 -2.900 -7.145 688 2HG1 ILE 87 2HG1 ILE 87 8.195 -3.748 -6.059 689 1HG2 ILE 87 1HG2 ILE 87 7.059 -3.420 -9.614 690 2HG2 ILE 87 2HG2 ILE 87 8.789 -3.040 -9.727 691 3HG2 ILE 87 3HG2 ILE 87 8.204 -4.594 -10.288 692 1HD1 ILE 87 1HD1 ILE 87 8.996 -1.547 -6.255 693 2HD1 ILE 87 2HD1 ILE 87 10.115 -2.558 -7.187 694 3HD1 ILE 87 3HD1 ILE 87 8.903 -1.550 -8.021 695 H GLU 88 H GLU 88 9.334 -7.289 -7.901 696 HA GLU 88 HA GLU 88 9.175 -8.174 -10.578 697 1HB GLU 88 1HB GLU 88 11.161 -8.348 -9.111 698 2HB GLU 88 2HB GLU 88 10.364 -9.609 -8.162 699 1HG GLU 88 1HG GLU 88 10.272 -11.077 -10.144 700 2HG GLU 88 2HG GLU 88 10.952 -9.795 -11.148 701 H ARG 89 H ARG 89 7.855 -9.720 -7.580 702 HA ARG 89 HA ARG 89 6.777 -11.997 -8.921 703 1HB ARG 89 1HB ARG 89 6.014 -10.597 -6.329 704 2HB ARG 89 2HB ARG 89 5.241 -12.082 -6.868 705 1HG ARG 89 1HG ARG 89 8.236 -11.787 -6.378 706 2HG ARG 89 2HG ARG 89 7.088 -12.436 -5.208 707 1HD ARG 89 1HD ARG 89 7.807 -13.613 -7.916 708 2HD ARG 89 2HD ARG 89 8.319 -14.207 -6.347 709 HE ARG 89 HE ARG 89 5.992 -14.730 -5.805 710 1HH1 ARG 89 1HH2 ARG 89 6.800 -14.517 -9.302 711 2HH1 ARG 89 2HH2 ARG 89 5.346 -15.326 -9.774 712 1HH2 ARG 89 1HH1 ARG 89 4.116 -15.817 -6.496 713 2HH2 ARG 89 2HH1 ARG 89 3.825 -16.102 -8.167 714 H LEU 90 H LEU 90 5.353 -8.755 -8.295 715 HA LEU 90 HA LEU 90 2.769 -9.520 -9.314 716 1HB LEU 90 1HB LEU 90 4.103 -6.836 -8.857 717 2HB LEU 90 2HB LEU 90 2.448 -6.988 -9.454 718 HG LEU 90 HG LEU 90 3.352 -8.242 -6.831 719 1HD1 LEU 90 1HD1 LEU 90 1.964 -5.564 -7.252 720 2HD1 LEU 90 2HD1 LEU 90 2.294 -6.354 -5.690 721 3HD1 LEU 90 3HD1 LEU 90 3.636 -5.808 -6.693 722 1HD2 LEU 90 1HD2 LEU 90 0.571 -7.606 -7.873 723 2HD2 LEU 90 2HD2 LEU 90 1.296 -9.226 -7.807 724 3HD2 LEU 90 3HD2 LEU 90 1.001 -8.352 -6.315 725 H CYS 91 H CYS 91 5.719 -8.177 -10.878 726 HA CYS 91 HA CYS 91 4.471 -7.755 -13.428 727 1HB CYS 91 1HB CYS 91 7.360 -8.463 -12.731 728 2HB CYS 91 2HB CYS 91 6.784 -7.954 -14.325 729 HG CYS 91 HG CYS 91 6.607 -6.333 -11.449 730 H GLU 92 H GLU 92 5.997 -10.674 -11.907 731 HA GLU 92 HA GLU 92 5.655 -12.343 -14.194 732 1HB GLU 92 1HB GLU 92 5.854 -12.996 -11.232 733 2HB GLU 92 2HB GLU 92 5.813 -14.217 -12.503 734 1HG GLU 92 1HG GLU 92 7.845 -13.287 -13.520 735 2HG GLU 92 2HG GLU 92 7.937 -12.044 -12.277 736 H MET 93 H MET 93 3.494 -11.633 -11.392 737 HA MET 93 HA MET 93 1.448 -13.503 -12.107 738 1HB MET 93 1HB MET 93 1.422 -10.921 -10.493 739 2HB MET 93 2HB MET 93 -0.011 -11.910 -10.708 740 1HG MET 93 1HG MET 93 2.586 -12.945 -9.516 741 2HG MET 93 2HG MET 93 1.250 -12.313 -8.566 742 1HE MET 93 1HE MET 93 -0.982 -13.505 -8.095 743 2HE MET 93 2HE MET 93 -1.407 -13.493 -9.824 744 3HE MET 93 3HE MET 93 -1.525 -14.998 -8.891 745 H ALA 94 H ALA 94 2.012 -10.085 -13.061 746 HA ALA 94 HA ALA 94 -0.097 -10.343 -15.146 747 1HB ALA 94 1HB ALA 94 -1.081 -8.208 -14.409 748 2HB ALA 94 2HB ALA 94 -1.199 -9.454 -13.147 749 3HB ALA 94 3HB ALA 94 0.021 -8.171 -13.013 750 HA PRO 95 HA PRO 95 3.778 -8.298 -16.607 751 1HB PRO 95 1HB PRO 95 3.811 -9.298 -19.172 752 2HB PRO 95 2HB PRO 95 4.474 -10.150 -17.749 753 1HG PRO 95 1HG PRO 95 1.748 -10.510 -19.029 754 2HG PRO 95 2HG PRO 95 2.912 -11.777 -18.526 755 1HD PRO 95 1HD PRO 95 0.807 -11.060 -16.964 756 2HD PRO 95 2HD PRO 95 2.390 -11.471 -16.237 757 H GLU 96 H GLU 96 0.435 -8.234 -17.746 758 HA GLU 96 HA GLU 96 0.552 -6.068 -19.548 759 1HB GLU 96 1HB GLU 96 -1.538 -6.637 -17.394 760 2HB GLU 96 2HB GLU 96 -1.768 -5.654 -18.848 761 1HG GLU 96 1HG GLU 96 -1.332 -7.689 -20.246 762 2HG GLU 96 2HG GLU 96 -1.186 -8.644 -18.763 763 H MET 97 H MET 97 1.092 -6.184 -16.094 764 HA MET 97 HA MET 97 0.938 -3.226 -15.834 765 1HB MET 97 1HB MET 97 0.940 -5.377 -13.677 766 2HB MET 97 2HB MET 97 0.702 -3.648 -13.432 767 1HG MET 97 1HG MET 97 -1.153 -5.515 -14.948 768 2HG MET 97 2HG MET 97 -1.417 -4.869 -13.339 769 1HE MET 97 1HE MET 97 -0.910 -1.892 -13.263 770 2HE MET 97 2HE MET 97 -2.412 -1.180 -13.892 771 3HE MET 97 3HE MET 97 -2.481 -2.570 -12.798 772 H ARG 98 H ARG 98 3.301 -5.105 -16.862 773 HA ARG 98 HA ARG 98 5.273 -5.151 -14.904 774 1HB ARG 98 1HB ARG 98 6.837 -5.685 -16.594 775 2HB ARG 98 2HB ARG 98 5.301 -6.375 -17.089 776 1HG ARG 98 1HG ARG 98 5.013 -4.252 -18.574 777 2HG ARG 98 2HG ARG 98 6.694 -3.888 -18.171 778 1HD ARG 98 1HD ARG 98 6.868 -4.988 -20.211 779 2HD ARG 98 2HD ARG 98 7.242 -6.271 -19.041 780 HE ARG 98 HE ARG 98 4.478 -6.359 -19.457 781 1HH1 ARG 98 1HH2 ARG 98 7.386 -6.879 -21.431 782 2HH1 ARG 98 2HH2 ARG 98 6.590 -7.865 -22.600 783 1HH2 ARG 98 1HH1 ARG 98 3.403 -7.596 -21.041 784 2HH2 ARG 98 2HH1 ARG 98 4.267 -8.308 -22.353 785 H GLY 99 H GLY 99 4.297 -2.336 -16.737 786 1HA GLY 99 1HA GLY 99 6.531 -0.747 -15.535 787 2HA GLY 99 2HA GLY 99 5.676 -0.346 -17.028 788 H LYS 100 H LYS 100 3.708 -1.609 -14.442 789 HA LYS 100 HA LYS 100 2.704 1.122 -13.768 790 1HB LYS 100 1HB LYS 100 1.026 -1.329 -14.405 791 2HB LYS 100 2HB LYS 100 0.427 0.263 -13.922 792 1HG LYS 100 1HG LYS 100 1.465 1.243 -15.998 793 2HG LYS 100 2HG LYS 100 1.972 -0.381 -16.480 794 1HD LYS 100 1HD LYS 100 0.010 0.107 -17.701 795 2HD LYS 100 2HD LYS 100 -0.416 -1.103 -16.477 796 1HE LYS 100 1HE LYS 100 -1.381 0.662 -15.047 797 2HE LYS 100 2HE LYS 100 -0.856 1.911 -16.176 798 1HZ LYS 100 1HZ LYS 100 -2.882 -0.166 -16.773 799 2HZ LYS 100 2HZ LYS 100 -3.191 1.412 -16.433 800 3HZ LYS 100 3HZ LYS 100 -2.395 1.009 -17.806 801 H VAL 101 H VAL 101 3.916 -1.821 -12.563 802 HA VAL 101 HA VAL 101 2.738 -1.355 -9.874 803 HB VAL 101 HB VAL 101 4.752 -3.444 -10.817 804 1HG1 VAL 101 1HG1 VAL 101 4.895 -2.968 -8.390 805 2HG1 VAL 101 2HG1 VAL 101 3.146 -3.228 -8.222 806 3HG1 VAL 101 3HG1 VAL 101 4.218 -4.567 -8.680 807 1HG2 VAL 101 1HG2 VAL 101 2.495 -3.822 -11.854 808 2HG2 VAL 101 2HG2 VAL 101 3.000 -5.098 -10.761 809 3HG2 VAL 101 3HG2 VAL 101 1.795 -3.910 -10.230 810 H MET 102 H MET 102 3.988 -0.174 -8.332 811 HA MET 102 HA MET 102 6.869 0.263 -8.904 812 1HB MET 102 1HB MET 102 4.814 2.505 -8.653 813 2HB MET 102 2HB MET 102 6.553 2.740 -8.434 814 1HG MET 102 1HG MET 102 6.922 1.741 -10.698 815 2HG MET 102 2HG MET 102 5.178 1.757 -10.950 816 1HE MET 102 1HE MET 102 3.776 3.827 -11.589 817 2HE MET 102 2HE MET 102 4.040 4.394 -9.923 818 3HE MET 102 3HE MET 102 4.285 5.503 -11.289 819 H LEU 103 H LEU 103 8.016 1.284 -7.081 820 HA LEU 103 HA LEU 103 7.291 -0.031 -4.649 821 1HB LEU 103 1HB LEU 103 9.649 0.523 -5.594 822 2HB LEU 103 2HB LEU 103 9.371 2.164 -5.038 823 HG LEU 103 HG LEU 103 9.065 1.242 -2.688 824 1HD1 LEU 103 1HD1 LEU 103 8.479 -1.101 -3.175 825 2HD1 LEU 103 2HD1 LEU 103 10.028 -1.344 -4.006 826 3HD1 LEU 103 3HD1 LEU 103 9.980 -1.050 -2.257 827 1HD2 LEU 103 1HD2 LEU 103 11.165 2.228 -3.416 828 2HD2 LEU 103 2HD2 LEU 103 11.506 0.836 -2.385 829 3HD2 LEU 103 3HD2 LEU 103 11.686 0.695 -4.146 830 H PHE 104 H PHE 104 6.165 0.751 -2.895 831 HA PHE 104 HA PHE 104 4.753 3.176 -3.007 832 1HB PHE 104 1HB PHE 104 4.389 1.018 -1.576 833 2HB PHE 104 2HB PHE 104 5.438 1.789 -0.396 834 HD1 PHE 104 HD1 PHE 104 4.653 3.937 0.721 835 HD2 PHE 104 HD2 PHE 104 2.156 1.708 -1.975 836 HE1 PHE 104 HE1 PHE 104 2.683 5.318 1.380 837 HE2 PHE 104 HE2 PHE 104 0.232 3.144 -1.410 838 HZ PHE 104 HZ PHE 104 0.484 4.968 0.243 839 H GLY 105 H GLY 105 7.858 2.395 -1.356 840 1HA GLY 105 1HA GLY 105 8.118 5.092 -0.275 841 2HA GLY 105 2HA GLY 105 9.248 3.749 -0.097 842 H HIS 106 H HIS 106 8.218 4.577 -3.361 843 HA HIS 106 HA HIS 106 10.731 4.791 -4.458 844 1HB HIS 106 1HB HIS 106 8.882 4.481 -5.843 845 2HB HIS 106 2HB HIS 106 8.056 5.923 -5.239 846 HD1 HIS 106 HD1 HIS 106 11.049 5.035 -7.594 847 HD2 HIS 106 HD2 HIS 106 8.425 8.170 -6.517 848 HE1 HIS 106 HE1 HIS 106 11.436 6.908 -9.257 849 H TRP 107 H TRP 107 8.758 7.520 -3.187 850 HA TRP 107 HA TRP 107 10.436 9.578 -4.090 851 1HB TRP 107 1HB TRP 107 8.715 9.602 -1.582 852 2HB TRP 107 2HB TRP 107 9.180 10.983 -2.571 853 HD1 TRP 107 HD1 TRP 107 6.515 8.410 -2.185 854 HE1 TRP 107 HE1 TRP 107 4.827 8.504 -4.066 855 HE3 TRP 107 HE3 TRP 107 9.037 11.551 -5.357 856 HZ2 TRP 107 HZ2 TRP 107 4.560 9.813 -6.663 857 HZ3 TRP 107 HZ3 TRP 107 8.041 12.183 -7.541 858 HH2 TRP 107 HH2 TRP 107 5.797 11.321 -8.194 859 H ASP 108 H ASP 108 10.714 7.555 -1.190 860 HA ASP 108 HA ASP 108 12.792 9.302 -0.024 861 1HB ASP 108 1HB ASP 108 11.092 8.354 1.469 862 2HB ASP 108 2HB ASP 108 11.549 6.718 0.987 863 H ASN 109 H ASN 109 13.847 8.842 -2.255 864 HA ASN 109 HA ASN 109 15.413 7.838 -3.521 865 1HB ASN 109 1HB ASN 109 16.701 8.797 -1.619 866 2HB ASN 109 2HB ASN 109 16.675 7.214 -0.831 867 1HD2 ASN 109 2HD2 ASN 109 17.447 8.540 -4.150 868 2HD2 ASN 109 1HD2 ASN 109 18.920 7.626 -4.322 869 H GLU 110 H GLU 110 13.306 6.229 -3.503 870 HA GLU 110 HA GLU 110 12.458 4.147 -3.502 871 1HB GLU 110 1HB GLU 110 15.061 3.536 -4.939 872 2HB GLU 110 2HB GLU 110 13.517 2.676 -5.089 873 1HG GLU 110 1HG GLU 110 12.521 4.980 -5.725 874 2HG GLU 110 2HG GLU 110 14.185 5.494 -5.990 875 H CYS 111 H CYS 111 13.461 4.556 -0.992 876 HA CYS 111 HA CYS 111 14.737 2.105 -0.061 877 1HB CYS 111 1HB CYS 111 13.239 4.390 1.251 878 2HB CYS 111 2HB CYS 111 13.677 2.930 2.163 879 HG CYS 111 HG CYS 111 16.227 2.970 1.667 880 H GLU 112 H GLU 112 13.795 0.157 0.072 881 HA GLU 112 HA GLU 112 10.936 -0.229 -0.292 882 1HB GLU 112 1HB GLU 112 11.390 -2.545 0.155 883 2HB GLU 112 2HB GLU 112 12.553 -1.942 -1.006 884 1HG GLU 112 1HG GLU 112 13.053 -2.446 1.966 885 2HG GLU 112 2HG GLU 112 13.480 -3.533 0.657 886 H ILE 113 H ILE 113 9.522 -1.161 1.365 887 HA ILE 113 HA ILE 113 10.002 0.291 3.906 888 HB ILE 113 HB ILE 113 7.445 -0.576 2.540 889 1HG1 ILE 113 1HG1 ILE 113 8.898 2.079 2.877 890 2HG1 ILE 113 2HG1 ILE 113 8.486 1.255 1.379 891 1HG2 ILE 113 1HG2 ILE 113 6.227 0.579 4.297 892 2HG2 ILE 113 2HG2 ILE 113 7.217 -0.672 5.026 893 3HG2 ILE 113 3HG2 ILE 113 7.736 1.024 5.117 894 1HD1 ILE 113 1HD1 ILE 113 6.572 2.672 3.255 895 2HD1 ILE 113 2HD1 ILE 113 7.040 3.137 1.616 896 3HD1 ILE 113 3HD1 ILE 113 6.063 1.678 1.868 897 HA PRO 114 HA PRO 114 10.733 -3.698 5.820 898 1HB PRO 114 1HB PRO 114 9.673 -2.364 8.302 899 2HB PRO 114 2HB PRO 114 11.184 -3.293 8.079 900 1HG PRO 114 1HG PRO 114 11.220 -0.576 8.209 901 2HG PRO 114 2HG PRO 114 12.261 -1.452 7.040 902 1HD PRO 114 1HD PRO 114 9.616 -0.076 6.531 903 2HD PRO 114 2HD PRO 114 11.123 -0.050 5.569 904 H ASP 115 H ASP 115 9.529 -5.297 7.322 905 HA ASP 115 HA ASP 115 6.592 -5.244 6.761 906 1HB ASP 115 1HB ASP 115 7.629 -6.940 5.425 907 2HB ASP 115 2HB ASP 115 8.539 -7.550 6.808 908 HA PRO 116 HA PRO 116 6.927 -5.400 11.286 909 1HB PRO 116 1HB PRO 116 4.612 -4.217 11.981 910 2HB PRO 116 2HB PRO 116 5.907 -3.290 11.169 911 1HG PRO 116 1HG PRO 116 3.457 -4.568 9.901 912 2HG PRO 116 2HG PRO 116 4.049 -2.887 9.704 913 1HD PRO 116 1HD PRO 116 4.658 -4.928 7.945 914 2HD PRO 116 2HD PRO 116 5.781 -3.574 8.270 915 H TYR 117 H TYR 117 4.884 -7.225 9.254 916 HA TYR 117 HA TYR 117 2.843 -8.262 9.752 917 1HB TYR 117 1HB TYR 117 4.598 -9.593 8.697 918 2HB TYR 117 2HB TYR 117 5.122 -10.185 10.266 919 HD1 TYR 117 HD1 TYR 117 1.935 -9.844 8.248 920 HD2 TYR 117 HD2 TYR 117 4.311 -12.331 10.859 921 HE1 TYR 117 HE1 TYR 117 0.247 -11.648 8.058 922 HE2 TYR 117 HE2 TYR 117 2.637 -14.139 10.666 923 HH TYR 117 HH TYR 117 0.608 -14.806 9.740 924 H ARG 118 H ARG 118 4.908 -9.575 12.482 925 HA ARG 118 HA ARG 118 2.571 -9.132 14.285 926 1HB ARG 118 1HB ARG 118 3.996 -11.771 13.731 927 2HB ARG 118 2HB ARG 118 3.161 -11.503 15.243 928 1HG ARG 118 1HG ARG 118 1.873 -11.507 12.497 929 2HG ARG 118 2HG ARG 118 1.744 -12.744 13.743 930 1HD ARG 118 1HD ARG 118 0.595 -9.952 13.742 931 2HD ARG 118 2HD ARG 118 -0.290 -11.473 13.778 932 HE ARG 118 HE ARG 118 0.779 -11.828 16.066 933 1HH1 ARG 118 1HH2 ARG 118 -0.288 -8.652 14.904 934 2HH1 ARG 118 2HH2 ARG 118 0.099 -7.813 16.375 935 1HH2 ARG 118 1HH1 ARG 118 1.041 -10.779 18.113 936 2HH2 ARG 118 2HH1 ARG 118 0.672 -9.105 18.284 937 H LYS 119 H LYS 119 5.266 -7.851 13.836 938 HA LYS 119 HA LYS 119 6.920 -8.648 16.126 939 1HB LYS 119 1HB LYS 119 7.112 -6.373 14.099 940 2HB LYS 119 2HB LYS 119 8.364 -6.778 15.281 941 1HG LYS 119 1HG LYS 119 8.748 -8.950 14.287 942 2HG LYS 119 2HG LYS 119 7.374 -8.765 13.187 943 1HD LYS 119 1HD LYS 119 8.465 -6.852 12.098 944 2HD LYS 119 2HD LYS 119 9.890 -7.056 13.144 945 1HE LYS 119 1HE LYS 119 10.329 -9.259 12.214 946 2HE LYS 119 2HE LYS 119 8.777 -9.267 11.362 947 1HZ LYS 119 1HZ LYS 119 9.553 -7.465 9.980 948 2HZ LYS 119 2HZ LYS 119 11.009 -7.422 10.751 949 3HZ LYS 119 3HZ LYS 119 10.589 -8.730 9.871 950 H SER 120 H SER 120 7.812 -6.491 17.355 951 HA SER 120 HA SER 120 5.764 -5.723 19.140 952 1HB SER 120 1HB SER 120 8.404 -4.294 18.615 953 2HB SER 120 2HB SER 120 7.476 -4.315 20.127 954 HG SER 120 HG SER 120 9.229 -5.795 20.158 955 H ARG 121 H ARG 121 4.859 -3.573 19.562 956 HA ARG 121 HA ARG 121 3.762 -2.406 17.236 957 1HB ARG 121 1HB ARG 121 2.735 -0.750 18.617 958 2HB ARG 121 2HB ARG 121 2.582 -2.328 19.377 959 1HG ARG 121 1HG ARG 121 4.219 -1.804 21.049 960 2HG ARG 121 2HG ARG 121 4.755 -0.352 20.204 961 1HD ARG 121 1HD ARG 121 1.959 -0.720 21.354 962 2HD ARG 121 2HD ARG 121 3.276 0.076 22.206 963 HE ARG 121 HE ARG 121 1.609 1.180 20.126 964 1HH1 ARG 121 1HH2 ARG 121 4.859 1.452 21.544 965 2HH1 ARG 121 2HH2 ARG 121 5.090 3.083 21.043 966 1HH2 ARG 121 1HH1 ARG 121 1.871 3.410 19.559 967 2HH2 ARG 121 2HH1 ARG 121 3.379 4.191 19.869 968 H GLU 122 H GLU 122 6.777 -1.579 18.868 969 HA GLU 122 HA GLU 122 7.105 1.024 17.805 970 1HB GLU 122 1HB GLU 122 8.504 -0.027 19.570 971 2HB GLU 122 2HB GLU 122 9.210 -1.111 18.364 972 1HG GLU 122 1HG GLU 122 10.161 0.829 17.158 973 2HG GLU 122 2HG GLU 122 9.369 1.937 18.282 974 H THR 123 H THR 123 7.534 -2.207 16.326 975 HA THR 123 HA THR 123 8.850 -1.270 13.941 976 HB THR 123 HB THR 123 7.056 -3.674 13.807 977 HG1 THR 123 1HG THR 123 7.717 -4.084 15.791 978 1HG2 THR 123 1HG2 THR 123 9.993 -3.209 13.128 979 2HG2 THR 123 2HG2 THR 123 9.047 -4.659 12.745 980 3HG2 THR 123 3HG2 THR 123 8.631 -3.113 11.988 981 H PHE 124 H PHE 124 5.413 -1.855 14.869 982 HA PHE 124 HA PHE 124 4.321 -1.154 12.313 983 1HB PHE 124 1HB PHE 124 3.168 -1.215 15.122 984 2HB PHE 124 2HB PHE 124 2.236 -0.694 13.731 985 HD1 PHE 124 HD1 PHE 124 1.336 -2.239 12.140 986 HD2 PHE 124 HD2 PHE 124 4.018 -3.627 15.230 987 HE1 PHE 124 HE1 PHE 124 0.683 -4.594 11.680 988 HE2 PHE 124 HE2 PHE 124 3.369 -5.963 14.727 989 HZ PHE 124 HZ PHE 124 1.674 -6.439 12.989 990 H ALA 125 H ALA 125 5.121 0.828 15.235 991 HA ALA 125 HA ALA 125 4.015 3.249 14.228 992 1HB ALA 125 1HB ALA 125 4.638 2.895 16.594 993 2HB ALA 125 2HB ALA 125 6.359 2.856 16.140 994 3HB ALA 125 3HB ALA 125 5.415 4.342 15.919 995 H ALA 126 H ALA 126 7.359 1.908 13.942 996 HA ALA 126 HA ALA 126 8.436 4.090 12.463 997 1HB ALA 126 1HB ALA 126 10.176 2.468 11.789 998 2HB ALA 126 2HB ALA 126 9.822 2.346 13.525 999 3HB ALA 126 3HB ALA 126 9.183 1.127 12.398 1000 H VAL 127 H VAL 127 6.968 0.989 11.314 1001 HA VAL 127 HA VAL 127 7.200 1.647 8.556 1002 HB VAL 127 HB VAL 127 5.448 -0.313 10.083 1003 1HG1 VAL 127 1HG1 VAL 127 5.777 -0.018 7.066 1004 2HG1 VAL 127 2HG1 VAL 127 5.105 -1.446 7.878 1005 3HG1 VAL 127 3HG1 VAL 127 4.268 0.102 8.000 1006 1HG2 VAL 127 1HG2 VAL 127 7.901 -0.702 8.299 1007 2HG2 VAL 127 2HG2 VAL 127 7.946 -0.700 10.071 1008 3HG2 VAL 127 3HG2 VAL 127 7.059 -1.963 9.221 1009 H TYR 128 H TYR 128 4.487 2.265 10.902 1010 HA TYR 128 HA TYR 128 2.710 3.347 8.988 1011 1HB TYR 128 1HB TYR 128 2.114 2.793 11.342 1012 2HB TYR 128 2HB TYR 128 3.048 4.177 11.903 1013 HD1 TYR 128 HD1 TYR 128 2.327 6.548 11.042 1014 HD2 TYR 128 HD2 TYR 128 -0.157 3.030 10.708 1015 HE1 TYR 128 HE1 TYR 128 0.392 7.975 10.520 1016 HE2 TYR 128 HE2 TYR 128 -2.119 4.460 10.258 1017 HH TYR 128 HH TYR 128 -2.890 6.633 9.924 1018 H THR 129 H THR 129 5.337 4.959 10.899 1019 HA THR 129 HA THR 129 4.802 7.566 9.905 1020 HB THR 129 HB THR 129 7.463 6.400 10.841 1021 HG1 THR 129 1HG THR 129 5.945 6.021 12.415 1022 1HG2 THR 129 1HG2 THR 129 6.375 9.255 10.894 1023 2HG2 THR 129 2HG2 THR 129 7.908 8.713 11.619 1024 3HG2 THR 129 3HG2 THR 129 7.693 8.659 9.864 1025 H LEU 130 H LEU 130 6.959 4.965 8.669 1026 HA LEU 130 HA LEU 130 8.042 6.479 6.511 1027 1HB LEU 130 1HB LEU 130 9.060 4.480 7.447 1028 2HB LEU 130 2HB LEU 130 7.692 3.492 6.944 1029 HG LEU 130 HG LEU 130 8.270 3.653 4.638 1030 1HD1 LEU 130 1HD1 LEU 130 10.264 4.921 3.821 1031 2HD1 LEU 130 2HD1 LEU 130 9.010 6.003 4.412 1032 3HD1 LEU 130 3HD1 LEU 130 10.438 5.666 5.422 1033 1HD2 LEU 130 1HD2 LEU 130 10.831 3.309 6.256 1034 2HD2 LEU 130 2HD2 LEU 130 9.561 2.093 6.084 1035 3HD2 LEU 130 3HD2 LEU 130 10.487 2.611 4.660 1036 H LEU 131 H LEU 131 5.161 4.349 6.730 1037 HA LEU 131 HA LEU 131 4.400 4.623 3.973 1038 1HB LEU 131 1HB LEU 131 2.836 3.947 6.501 1039 2HB LEU 131 2HB LEU 131 2.098 3.963 4.903 1040 HG LEU 131 HG LEU 131 4.498 2.209 5.595 1041 1HD1 LEU 131 1HD1 LEU 131 2.498 1.596 6.953 1042 2HD1 LEU 131 2HD1 LEU 131 1.557 1.441 5.444 1043 3HD1 LEU 131 3HD1 LEU 131 2.927 0.356 5.763 1044 1HD2 LEU 131 1HD2 LEU 131 2.538 2.137 3.267 1045 2HD2 LEU 131 2HD2 LEU 131 4.229 2.647 3.177 1046 3HD2 LEU 131 3HD2 LEU 131 3.844 0.978 3.591 1047 H GLU 132 H GLU 132 3.624 6.539 6.916 1048 HA GLU 132 HA GLU 132 1.680 8.211 5.765 1049 1HB GLU 132 1HB GLU 132 2.269 8.049 8.212 1050 2HB GLU 132 2HB GLU 132 3.730 8.989 7.874 1051 1HG GLU 132 1HG GLU 132 2.110 10.739 6.834 1052 2HG GLU 132 2HG GLU 132 0.830 9.849 7.658 1053 H ARG 133 H ARG 133 5.261 8.836 6.054 1054 HA ARG 133 HA ARG 133 5.081 11.193 4.475 1055 1HB ARG 133 1HB ARG 133 7.471 11.143 4.216 1056 2HB ARG 133 2HB ARG 133 6.999 10.856 5.888 1057 1HG ARG 133 1HG ARG 133 7.587 8.521 5.741 1058 2HG ARG 133 2HG ARG 133 7.806 8.607 3.987 1059 1HD ARG 133 1HD ARG 133 9.975 8.585 5.134 1060 2HD ARG 133 2HD ARG 133 9.724 10.060 4.211 1061 HE ARG 133 HE ARG 133 9.606 11.332 6.124 1062 1HH1 ARG 133 1HH2 ARG 133 10.013 7.923 7.019 1063 2HH1 ARG 133 2HH2 ARG 133 10.294 8.243 8.690 1064 1HH2 ARG 133 1HH1 ARG 133 9.961 11.761 8.353 1065 2HH2 ARG 133 2HH1 ARG 133 10.273 10.481 9.459 1066 H SER 134 H SER 134 5.569 7.790 3.450 1067 HA SER 134 HA SER 134 6.194 8.453 0.749 1068 1HB SER 134 1HB SER 134 4.899 5.947 1.891 1069 2HB SER 134 2HB SER 134 5.674 6.105 0.301 1070 HG SER 134 HG SER 134 6.834 6.185 2.888 1071 H ALA 135 H ALA 135 3.040 7.668 2.342 1072 HA ALA 135 HA ALA 135 1.478 7.921 -0.032 1073 1HB ALA 135 1HB ALA 135 0.650 6.737 1.944 1074 2HB ALA 135 2HB ALA 135 0.752 8.217 2.915 1075 3HB ALA 135 3HB ALA 135 -0.422 8.105 1.582 1076 H ARG 136 H ARG 136 2.423 10.304 2.527 1077 HA ARG 136 HA ARG 136 0.899 12.475 1.472 1078 1HB ARG 136 1HB ARG 136 1.943 12.430 3.728 1079 2HB ARG 136 2HB ARG 136 3.548 12.518 2.992 1080 1HG ARG 136 1HG ARG 136 2.970 14.726 2.002 1081 2HG ARG 136 2HG ARG 136 1.364 14.642 2.736 1082 1HD ARG 136 1HD ARG 136 3.990 14.616 4.297 1083 2HD ARG 136 2HD ARG 136 3.066 16.066 3.940 1084 HE ARG 136 HE ARG 136 1.273 15.347 5.304 1085 1HH1 ARG 136 1HH2 ARG 136 4.172 13.275 5.734 1086 2HH1 ARG 136 2HH2 ARG 136 3.586 12.680 7.280 1087 1HH2 ARG 136 1HH1 ARG 136 0.716 14.578 7.445 1088 2HH2 ARG 136 2HH1 ARG 136 1.760 13.380 8.183 1089 H GLN 137 H GLN 137 4.248 11.316 0.709 1090 HA GLN 137 HA GLN 137 4.797 13.389 -1.150 1091 1HB GLN 137 1HB GLN 137 5.886 10.572 -0.864 1092 2HB GLN 137 2HB GLN 137 6.499 11.730 -2.043 1093 1HG GLN 137 1HG GLN 137 6.429 12.487 0.894 1094 2HG GLN 137 2HG GLN 137 7.685 11.431 0.263 1095 1HE2 GLN 137 2HE2 GLN 137 9.393 12.900 0.602 1096 2HE2 GLN 137 1HE2 GLN 137 9.547 14.382 -0.309 1097 H TRP 138 H TRP 138 3.380 10.064 -1.719 1098 HA TRP 138 HA TRP 138 3.053 10.376 -4.501 1099 1HB TRP 138 1HB TRP 138 1.516 8.789 -2.427 1100 2HB TRP 138 2HB TRP 138 0.962 8.860 -4.091 1101 HD1 TRP 138 HD1 TRP 138 3.362 7.016 -1.938 1102 HE1 TRP 138 HE1 TRP 138 4.868 5.488 -3.290 1103 HE3 TRP 138 HE3 TRP 138 2.051 8.577 -6.639 1104 HZ2 TRP 138 HZ2 TRP 138 5.579 5.100 -6.084 1105 HZ3 TRP 138 HZ3 TRP 138 3.174 7.611 -8.629 1106 HH2 TRP 138 HH2 TRP 138 4.967 5.908 -8.359 1107 H ALA 139 H ALA 139 0.818 11.371 -1.845 1108 HA ALA 139 HA ALA 139 -1.193 12.399 -3.559 1109 1HB ALA 139 1HB ALA 139 -1.550 11.926 -1.175 1110 2HB ALA 139 2HB ALA 139 -0.414 13.215 -0.719 1111 3HB ALA 139 3HB ALA 139 -1.931 13.625 -1.538 1112 H GLN 140 H GLN 140 1.558 14.108 -1.937 1113 HA GLN 140 HA GLN 140 0.914 16.635 -3.009 1114 1HB GLN 140 1HB GLN 140 2.322 16.396 -1.053 1115 2HB GLN 140 2HB GLN 140 3.521 15.484 -1.968 1116 1HG GLN 140 1HG GLN 140 4.331 17.698 -1.541 1117 2HG GLN 140 2HG GLN 140 4.127 17.480 -3.263 1118 1HE2 GLN 140 2HE2 GLN 140 4.418 20.034 -2.165 1119 2HE2 GLN 140 1HE2 GLN 140 2.914 20.908 -2.309 1120 H ALA 141 H ALA 141 2.821 13.949 -4.380 1121 HA ALA 141 HA ALA 141 3.958 15.430 -6.538 1122 1HB ALA 141 1HB ALA 141 3.247 12.465 -6.357 1123 2HB ALA 141 2HB ALA 141 4.272 13.224 -7.589 1124 3HB ALA 141 3HB ALA 141 4.792 13.213 -5.892 1125 H LEU 142 H LEU 142 0.991 13.360 -6.347 1126 HA LEU 142 HA LEU 142 0.019 13.997 -8.943 1127 1HB LEU 142 1HB LEU 142 -1.360 13.171 -6.357 1128 2HB LEU 142 2HB LEU 142 -2.247 13.383 -7.860 1129 HG LEU 142 HG LEU 142 0.145 11.505 -7.658 1130 1HD1 LEU 142 1HD1 LEU 142 -1.572 10.808 -6.022 1131 2HD1 LEU 142 2HD1 LEU 142 -2.790 10.780 -7.318 1132 3HD1 LEU 142 3HD1 LEU 142 -1.415 9.657 -7.357 1133 1HD2 LEU 142 1HD2 LEU 142 -2.175 11.699 -9.638 1134 2HD2 LEU 142 2HD2 LEU 142 -0.485 12.142 -9.959 1135 3HD2 LEU 142 3HD2 LEU 142 -0.905 10.461 -9.655 1136 H ASN 143 H ASN 143 -0.459 15.681 -5.838 1137 HA ASN 143 HA ASN 143 -2.282 17.652 -6.710 1138 1HB ASN 143 1HB ASN 143 -1.754 17.141 -4.347 1139 2HB ASN 143 2HB ASN 143 -0.123 17.767 -4.581 1140 1HD2 ASN 143 2HD2 ASN 143 0.018 19.617 -3.380 1141 2HD2 ASN 143 1HD2 ASN 143 -1.144 20.927 -3.456 1142 H ALA 144 H ALA 144 1.105 17.345 -7.566 1143 HA ALA 144 HA ALA 144 1.019 20.039 -8.769 1144 1HB ALA 144 1HB ALA 144 3.370 18.856 -7.211 1145 2HB ALA 144 2HB ALA 144 3.337 20.452 -7.996 1146 3HB ALA 144 3HB ALA 144 2.288 20.130 -6.603 1147 H GLU 145 H GLU 145 0.628 17.342 -9.776 1148 HA GLU 145 HA GLU 145 2.117 17.657 -12.245 1149 1HB GLU 145 1HB GLU 145 3.494 16.174 -10.566 1150 2HB GLU 145 2HB GLU 145 2.247 14.946 -10.838 1151 1HG GLU 145 1HG GLU 145 2.723 15.065 -13.277 1152 2HG GLU 145 2HG GLU 145 3.890 16.349 -12.978 1153 H GLN 146 H GLN 146 -0.565 18.091 -11.427 1154 HA GLN 146 HA GLN 146 -2.158 15.822 -12.182 1155 1HB GLN 146 1HB GLN 146 -2.707 17.811 -10.542 1156 2HB GLN 146 2HB GLN 146 -3.070 18.731 -11.996 1157 1HG GLN 146 1HG GLN 146 -5.080 17.764 -10.978 1158 2HG GLN 146 2HG GLN 146 -4.823 17.131 -12.606 1159 1HE2 GLN 146 2HE2 GLN 146 -3.077 15.993 -9.602 1160 2HE2 GLN 146 1HE2 GLN 146 -3.896 14.450 -9.563 1161 H VAL 147 H VAL 147 -3.282 15.515 -14.043 1162 HA VAL 147 HA VAL 147 -2.666 17.056 -16.471 1163 HB VAL 147 HB VAL 147 -2.005 14.791 -17.498 1164 1HG1 VAL 147 1HG1 VAL 147 -0.396 16.647 -17.082 1165 2HG1 VAL 147 2HG1 VAL 147 -0.047 15.966 -15.478 1166 3HG1 VAL 147 3HG1 VAL 147 0.345 15.048 -16.941 1167 1HG2 VAL 147 1HG2 VAL 147 -1.409 14.045 -14.582 1168 2HG2 VAL 147 2HG2 VAL 147 -2.656 13.300 -15.607 1169 3HG2 VAL 147 3HG2 VAL 147 -0.949 13.125 -16.028 Start of MODEL 8 1 H MET 1 H MET 1 -7.273 12.175 -14.995 2 HA MET 1 HA MET 1 -5.395 11.504 -13.664 3 1HB MET 1 1HB MET 1 -7.133 13.056 -12.776 4 2HB MET 1 2HB MET 1 -7.988 11.703 -12.047 5 1HG MET 1 1HG MET 1 -5.085 12.280 -11.372 6 2HG MET 1 2HG MET 1 -6.386 13.213 -10.642 7 1HE MET 1 1HE MET 1 -3.998 11.190 -9.379 8 2HE MET 1 2HE MET 1 -4.931 12.298 -8.347 9 3HE MET 1 3HE MET 1 -4.866 10.562 -7.957 10 H PHE 2 H PHE 2 -4.497 10.039 -12.086 11 HA PHE 2 HA PHE 2 -5.049 7.245 -12.416 12 1HB PHE 2 1HB PHE 2 -3.323 8.713 -10.375 13 2HB PHE 2 2HB PHE 2 -3.223 7.012 -10.792 14 HD1 PHE 2 HD1 PHE 2 -2.467 6.331 -13.105 15 HD2 PHE 2 HD2 PHE 2 -2.079 10.366 -11.641 16 HE1 PHE 2 HE1 PHE 2 -0.770 6.801 -14.854 17 HE2 PHE 2 HE2 PHE 2 -0.383 10.831 -13.381 18 HZ PHE 2 HZ PHE 2 0.278 9.057 -14.995 19 H ASN 3 H ASN 3 -7.507 8.082 -11.609 20 HA ASN 3 HA ASN 3 -7.834 8.529 -8.831 21 1HB ASN 3 1HB ASN 3 -9.423 9.259 -10.611 22 2HB ASN 3 2HB ASN 3 -9.923 7.576 -10.830 23 1HD2 ASN 3 2HD2 ASN 3 -9.692 10.191 -8.335 24 2HD2 ASN 3 1HD2 ASN 3 -10.998 9.590 -7.337 25 H ASN 4 H ASN 4 -7.400 5.455 -10.426 26 HA ASN 4 HA ASN 4 -8.664 4.030 -8.103 27 1HB ASN 4 1HB ASN 4 -8.418 3.232 -11.038 28 2HB ASN 4 2HB ASN 4 -8.735 2.079 -9.752 29 1HD2 ASN 4 2HD2 ASN 4 -10.207 4.472 -11.802 30 2HD2 ASN 4 1HD2 ASN 4 -11.801 4.373 -11.104 31 H ILE 5 H ILE 5 -7.156 3.185 -6.786 32 HA ILE 5 HA ILE 5 -4.449 2.516 -7.906 33 HB ILE 5 HB ILE 5 -5.206 4.075 -5.389 34 1HG1 ILE 5 1HG1 ILE 5 -3.861 5.056 -7.949 35 2HG1 ILE 5 2HG1 ILE 5 -5.499 5.442 -7.424 36 1HG2 ILE 5 1HG2 ILE 5 -3.150 2.695 -5.061 37 2HG2 ILE 5 2HG2 ILE 5 -2.441 3.477 -6.494 38 3HG2 ILE 5 3HG2 ILE 5 -2.796 4.404 -5.016 39 1HD1 ILE 5 1HD1 ILE 5 -4.596 6.567 -5.403 40 2HD1 ILE 5 2HD1 ILE 5 -2.956 6.372 -6.085 41 3HD1 ILE 5 3HD1 ILE 5 -4.168 7.326 -6.947 42 H LEU 6 H LEU 6 -3.487 0.703 -6.995 43 HA LEU 6 HA LEU 6 -4.952 -0.681 -4.765 44 1HB LEU 6 1HB LEU 6 -5.081 -1.840 -6.981 45 2HB LEU 6 2HB LEU 6 -3.325 -1.877 -7.045 46 HG LEU 6 HG LEU 6 -3.272 -3.335 -5.044 47 1HD1 LEU 6 1HD1 LEU 6 -5.299 -2.699 -3.890 48 2HD1 LEU 6 2HD1 LEU 6 -6.310 -3.249 -5.238 49 3HD1 LEU 6 3HD1 LEU 6 -5.387 -4.412 -4.260 50 1HD2 LEU 6 1HD2 LEU 6 -3.285 -4.412 -7.222 51 2HD2 LEU 6 2HD2 LEU 6 -4.257 -5.361 -6.097 52 3HD2 LEU 6 3HD2 LEU 6 -5.057 -4.332 -7.301 53 H VAL 7 H VAL 7 -3.626 -1.441 -3.078 54 HA VAL 7 HA VAL 7 -0.693 -1.046 -3.385 55 HB VAL 7 HB VAL 7 -2.208 -0.799 -0.761 56 1HG1 VAL 7 1HG1 VAL 7 0.622 -0.089 -1.670 57 2HG1 VAL 7 2HG1 VAL 7 -0.043 0.285 -0.078 58 3HG1 VAL 7 3HG1 VAL 7 0.157 -1.396 -0.555 59 1HG2 VAL 7 1HG2 VAL 7 -2.974 1.093 -2.110 60 2HG2 VAL 7 2HG2 VAL 7 -1.821 1.660 -0.905 61 3HG2 VAL 7 3HG2 VAL 7 -1.309 1.471 -2.596 62 H VAL 8 H VAL 8 0.548 -2.823 -2.865 63 HA VAL 8 HA VAL 8 -0.929 -5.241 -1.937 64 HB VAL 8 HB VAL 8 1.126 -5.183 -4.165 65 1HG1 VAL 8 1HG1 VAL 8 -0.978 -7.234 -3.328 66 2HG1 VAL 8 2HG1 VAL 8 0.069 -7.378 -4.742 67 3HG1 VAL 8 3HG1 VAL 8 0.789 -7.398 -3.129 68 1HG2 VAL 8 1HG2 VAL 8 -0.807 -5.459 -5.751 69 2HG2 VAL 8 2HG2 VAL 8 -1.913 -5.093 -4.413 70 3HG2 VAL 8 3HG2 VAL 8 -0.760 -3.869 -5.005 71 H CYS 9 H CYS 9 0.173 -6.676 -0.656 72 HA CYS 9 HA CYS 9 3.006 -6.075 0.079 73 1HB CYS 9 1HB CYS 9 1.446 -4.943 1.648 74 2HB CYS 9 2HB CYS 9 0.620 -6.468 1.938 75 HG CYS 9 HG CYS 9 1.908 -6.071 4.059 76 H VAL 10 H VAL 10 3.682 -8.110 1.665 77 HA VAL 10 HA VAL 10 3.072 -10.535 0.146 78 HB VAL 10 HB VAL 10 5.292 -10.279 0.899 79 1HG1 VAL 10 1HG1 VAL 10 6.030 -10.275 3.216 80 2HG1 VAL 10 2HG1 VAL 10 5.026 -8.862 2.914 81 3HG1 VAL 10 3HG1 VAL 10 4.362 -10.259 3.799 82 1HG2 VAL 10 1HG2 VAL 10 5.690 -12.401 1.979 83 2HG2 VAL 10 2HG2 VAL 10 4.006 -12.487 2.531 84 3HG2 VAL 10 3HG2 VAL 10 4.383 -12.557 0.795 85 H GLY 11 H GLY 11 2.282 -9.222 3.440 86 1HA GLY 11 1HA GLY 11 0.486 -11.541 3.861 87 2HA GLY 11 2HA GLY 11 1.073 -10.398 5.067 88 H ASN 12 H ASN 12 0.174 -8.236 2.934 89 HA ASN 12 HA ASN 12 -1.532 -6.820 2.603 90 1HB ASN 12 1HB ASN 12 -2.607 -8.685 1.497 91 2HB ASN 12 2HB ASN 12 -3.318 -9.223 3.003 92 1HD2 ASN 12 2HD2 ASN 12 -3.793 -5.909 3.309 93 2HD2 ASN 12 1HD2 ASN 12 -5.417 -5.959 2.691 94 H ILE 13 H ILE 13 -2.393 -8.838 5.476 95 HA ILE 13 HA ILE 13 -4.320 -7.254 6.539 96 HB ILE 13 HB ILE 13 -3.838 -8.314 8.707 97 1HG1 ILE 13 1HG1 ILE 13 -1.324 -9.443 7.383 98 2HG1 ILE 13 2HG1 ILE 13 -1.346 -8.183 8.617 99 1HG2 ILE 13 1HG2 ILE 13 -4.205 -10.610 7.969 100 2HG2 ILE 13 2HG2 ILE 13 -5.100 -9.492 6.959 101 3HG2 ILE 13 3HG2 ILE 13 -3.601 -10.239 6.348 102 1HD1 ILE 13 1HD1 ILE 13 -2.197 -11.078 8.965 103 2HD1 ILE 13 2HD1 ILE 13 -0.827 -10.240 9.705 104 3HD1 ILE 13 3HD1 ILE 13 -2.480 -9.807 10.181 105 H CYS 14 H CYS 14 -1.100 -6.062 6.430 106 HA CYS 14 HA CYS 14 -1.689 -4.157 8.659 107 1HB CYS 14 1HB CYS 14 0.812 -4.273 9.105 108 2HB CYS 14 2HB CYS 14 -0.146 -5.692 9.554 109 HG CYS 14 HG CYS 14 2.128 -6.542 8.677 110 H ARG 15 H ARG 15 0.847 -4.446 6.050 111 HA ARG 15 HA ARG 15 1.060 -1.604 6.066 112 1HB ARG 15 1HB ARG 15 2.147 -3.592 4.023 113 2HB ARG 15 2HB ARG 15 2.580 -1.883 4.165 114 1HG ARG 15 1HG ARG 15 3.344 -2.270 6.496 115 2HG ARG 15 2HG ARG 15 3.094 -4.002 6.295 116 1HD ARG 15 1HD ARG 15 4.973 -2.319 4.573 117 2HD ARG 15 2HD ARG 15 5.462 -3.217 6.011 118 HE ARG 15 HE ARG 15 4.089 -4.903 4.107 119 1HH1 ARG 15 1HH1 ARG 15 7.339 -3.677 5.020 120 2HH1 ARG 15 2HH1 ARG 15 8.129 -4.831 3.970 121 1HH2 ARG 15 2HH2 ARG 15 5.314 -6.319 2.662 122 2HH2 ARG 15 1HH2 ARG 15 7.045 -6.296 2.798 123 H SER 16 H SER 16 -0.486 -3.767 3.583 124 HA SER 16 HA SER 16 -1.068 -1.781 1.777 125 1HB SER 16 1HB SER 16 -2.956 -4.077 2.312 126 2HB SER 16 2HB SER 16 -2.649 -3.224 0.793 127 HG SER 16 HG SER 16 -1.522 -5.147 0.773 128 HA PRO 17 HA PRO 17 -5.272 -0.662 3.681 129 1HB PRO 17 1HB PRO 17 -5.880 -1.191 6.317 130 2HB PRO 17 2HB PRO 17 -6.294 -2.254 4.941 131 1HG PRO 17 1HG PRO 17 -3.913 -2.459 6.806 132 2HG PRO 17 2HG PRO 17 -5.025 -3.765 6.287 133 1HD PRO 17 1HD PRO 17 -2.641 -3.413 5.077 134 2HD PRO 17 2HD PRO 17 -4.095 -3.831 4.121 135 H THR 18 H THR 18 -2.380 -0.594 5.794 136 HA THR 18 HA THR 18 -3.026 1.900 7.081 137 HB THR 18 HB THR 18 -0.327 0.569 6.581 138 HG1 THR 18 1HG THR 18 -1.428 -0.804 7.810 139 1HG2 THR 18 1HG2 THR 18 0.044 2.870 7.233 140 2HG2 THR 18 2HG2 THR 18 -1.197 2.769 8.500 141 3HG2 THR 18 3HG2 THR 18 0.327 1.858 8.652 142 H ALA 19 H ALA 19 -1.030 1.055 4.163 143 HA ALA 19 HA ALA 19 -0.439 3.751 3.433 144 1HB ALA 19 1HB ALA 19 0.768 1.840 2.466 145 2HB ALA 19 2HB ALA 19 -0.739 1.220 1.768 146 3HB ALA 19 3HB ALA 19 -0.056 2.744 1.165 147 H GLU 20 H GLU 20 -3.096 1.520 2.429 148 HA GLU 20 HA GLU 20 -4.359 3.133 0.551 149 1HB GLU 20 1HB GLU 20 -4.952 0.797 0.999 150 2HB GLU 20 2HB GLU 20 -5.523 1.223 2.616 151 1HG GLU 20 1HG GLU 20 -7.276 2.710 1.490 152 2HG GLU 20 2HG GLU 20 -6.774 1.963 -0.022 153 H ARG 21 H ARG 21 -5.115 2.957 4.086 154 HA ARG 21 HA ARG 21 -7.045 5.074 3.816 155 1HB ARG 21 1HB ARG 21 -5.766 3.674 6.190 156 2HB ARG 21 2HB ARG 21 -6.974 4.951 6.385 157 1HG ARG 21 1HG ARG 21 -7.545 2.511 4.679 158 2HG ARG 21 2HG ARG 21 -7.811 2.529 6.422 159 1HD ARG 21 1HD ARG 21 -9.339 4.429 6.251 160 2HD ARG 21 2HD ARG 21 -9.026 4.585 4.519 161 HE ARG 21 HE ARG 21 -10.355 2.813 4.015 162 1HH1 ARG 21 1HH2 ARG 21 -9.975 2.841 7.573 163 2HH1 ARG 21 2HH2 ARG 21 -11.160 1.553 7.774 164 1HH2 ARG 21 1HH1 ARG 21 -11.885 1.109 4.413 165 2HH2 ARG 21 2HH1 ARG 21 -12.164 0.588 6.052 166 H LEU 22 H LEU 22 -3.558 5.107 4.594 167 HA LEU 22 HA LEU 22 -3.531 7.868 5.425 168 1HB LEU 22 1HB LEU 22 -1.495 5.896 4.365 169 2HB LEU 22 2HB LEU 22 -1.068 7.592 4.454 170 HG LEU 22 HG LEU 22 -2.203 6.168 6.891 171 1HD1 LEU 22 1HD1 LEU 22 0.165 5.853 7.622 172 2HD1 LEU 22 2HD1 LEU 22 -0.263 4.882 6.204 173 3HD1 LEU 22 3HD1 LEU 22 0.690 6.343 5.994 174 1HD2 LEU 22 1HD2 LEU 22 -2.210 8.595 7.058 175 2HD2 LEU 22 2HD2 LEU 22 -0.848 8.008 8.017 176 3HD2 LEU 22 3HD2 LEU 22 -0.560 8.702 6.417 177 H LEU 23 H LEU 23 -3.199 6.289 2.198 178 HA LEU 23 HA LEU 23 -2.777 8.713 0.731 179 1HB LEU 23 1HB LEU 23 -3.957 6.006 0.007 180 2HB LEU 23 2HB LEU 23 -3.835 7.298 -1.174 181 HG LEU 23 HG LEU 23 -1.382 6.406 0.370 182 1HD1 LEU 23 1HD1 LEU 23 -2.461 5.174 -2.201 183 2HD1 LEU 23 2HD1 LEU 23 -0.860 4.863 -1.501 184 3HD1 LEU 23 3HD1 LEU 23 -2.289 4.370 -0.615 185 1HD2 LEU 23 1HD2 LEU 23 -1.238 8.529 -0.910 186 2HD2 LEU 23 2HD2 LEU 23 -0.211 7.282 -1.619 187 3HD2 LEU 23 3HD2 LEU 23 -1.761 7.679 -2.379 188 H GLN 24 H GLN 24 -5.797 6.990 1.714 189 HA GLN 24 HA GLN 24 -7.480 8.928 0.404 190 1HB GLN 24 1HB GLN 24 -8.107 6.879 2.569 191 2HB GLN 24 2HB GLN 24 -9.295 7.897 1.736 192 1HG GLN 24 1HG GLN 24 -8.259 6.965 -0.469 193 2HG GLN 24 2HG GLN 24 -7.578 5.694 0.545 194 1HE2 GLN 24 2HE2 GLN 24 -10.311 6.773 -1.169 195 2HE2 GLN 24 1HE2 GLN 24 -11.507 5.678 -0.481 196 H ARG 25 H ARG 25 -6.086 8.781 3.716 197 HA ARG 25 HA ARG 25 -7.566 10.915 4.812 198 1HB ARG 25 1HB ARG 25 -5.871 9.397 5.972 199 2HB ARG 25 2HB ARG 25 -4.591 10.383 5.253 200 1HG ARG 25 1HG ARG 25 -5.547 12.392 6.436 201 2HG ARG 25 2HG ARG 25 -6.747 11.313 7.185 202 1HD ARG 25 1HD ARG 25 -4.767 9.932 8.039 203 2HD ARG 25 2HD ARG 25 -3.714 11.263 7.523 204 HE ARG 25 HE ARG 25 -5.607 12.517 9.057 205 1HH1 ARG 25 1HH2 ARG 25 -3.296 9.858 9.720 206 2HH1 ARG 25 2HH2 ARG 25 -3.551 9.953 11.436 207 1HH2 ARG 25 1HH1 ARG 25 -5.778 12.639 11.377 208 2HH2 ARG 25 2HH1 ARG 25 -4.891 11.498 12.348 209 H TYR 26 H TYR 26 -4.591 10.916 2.799 210 HA TYR 26 HA TYR 26 -4.505 13.767 2.613 211 1HB TYR 26 1HB TYR 26 -3.099 11.538 1.135 212 2HB TYR 26 2HB TYR 26 -2.965 13.212 0.608 213 HD1 TYR 26 HD1 TYR 26 -1.417 10.820 2.729 214 HD2 TYR 26 HD2 TYR 26 -2.499 14.994 2.522 215 HE1 TYR 26 HE1 TYR 26 0.280 11.347 4.465 216 HE2 TYR 26 HE2 TYR 26 -0.861 15.515 4.292 217 HH TYR 26 HH TYR 26 1.322 13.086 5.761 218 H HIS 27 H HIS 27 -6.126 11.323 0.437 219 HA HIS 27 HA HIS 27 -7.614 13.612 -0.718 220 1HB HIS 27 1HB HIS 27 -6.014 11.629 -2.354 221 2HB HIS 27 2HB HIS 27 -7.301 12.660 -2.992 222 HD1 HIS 27 HD1 HIS 27 -6.777 15.440 -2.737 223 HD2 HIS 27 HD2 HIS 27 -3.630 12.655 -2.499 224 HE1 HIS 27 HE1 HIS 27 -4.639 16.735 -3.201 225 HA PRO 28 HA PRO 28 -10.427 10.143 0.384 226 1HB PRO 28 1HB PRO 28 -12.328 12.482 0.211 227 2HB PRO 28 2HB PRO 28 -12.293 11.145 1.402 228 1HG PRO 28 1HG PRO 28 -11.329 13.595 2.057 229 2HG PRO 28 2HG PRO 28 -10.440 12.116 2.548 230 1HD PRO 28 1HD PRO 28 -9.881 13.959 0.213 231 2HD PRO 28 2HD PRO 28 -8.737 13.225 1.377 232 H GLU 29 H GLU 29 -10.351 12.407 -2.291 233 HA GLU 29 HA GLU 29 -12.615 11.386 -3.748 234 1HB GLU 29 1HB GLU 29 -11.505 13.684 -3.926 235 2HB GLU 29 2HB GLU 29 -10.169 12.900 -4.762 236 1HG GLU 29 1HG GLU 29 -11.620 13.924 -6.378 237 2HG GLU 29 2HG GLU 29 -11.751 12.189 -6.572 238 H LEU 30 H LEU 30 -9.358 10.183 -3.240 239 HA LEU 30 HA LEU 30 -9.250 8.774 -5.836 240 1HB LEU 30 1HB LEU 30 -7.355 8.577 -3.463 241 2HB LEU 30 2HB LEU 30 -7.097 7.949 -5.102 242 HG LEU 30 HG LEU 30 -7.234 10.856 -4.269 243 1HD1 LEU 30 1HD1 LEU 30 -5.119 9.673 -3.729 244 2HD1 LEU 30 2HD1 LEU 30 -4.949 9.216 -5.436 245 3HD1 LEU 30 3HD1 LEU 30 -4.886 10.926 -4.959 246 1HD2 LEU 30 1HD2 LEU 30 -8.260 10.704 -6.464 247 2HD2 LEU 30 2HD2 LEU 30 -6.664 11.417 -6.596 248 3HD2 LEU 30 3HD2 LEU 30 -6.903 9.710 -7.058 249 H LYS 31 H LYS 31 -9.475 6.568 -6.073 250 HA LYS 31 HA LYS 31 -10.879 5.167 -3.839 251 1HB LYS 31 1HB LYS 31 -12.082 5.117 -5.993 252 2HB LYS 31 2HB LYS 31 -10.628 4.574 -6.826 253 1HG LYS 31 1HG LYS 31 -12.185 2.737 -6.509 254 2HG LYS 31 2HG LYS 31 -10.688 2.424 -5.635 255 1HD LYS 31 1HD LYS 31 -11.759 3.054 -3.505 256 2HD LYS 31 2HD LYS 31 -13.250 3.494 -4.345 257 1HE LYS 31 1HE LYS 31 -12.004 0.700 -4.330 258 2HE LYS 31 2HE LYS 31 -13.252 1.237 -3.204 259 1HZ LYS 31 1HZ LYS 31 -14.221 0.042 -5.045 260 2HZ LYS 31 2HZ LYS 31 -14.738 1.584 -5.083 261 3HZ LYS 31 3HZ LYS 31 -13.599 1.073 -6.143 262 H VAL 32 H VAL 32 -9.445 4.002 -2.635 263 HA VAL 32 HA VAL 32 -6.983 2.991 -3.951 264 HB VAL 32 HB VAL 32 -7.023 4.110 -1.138 265 1HG1 VAL 32 1HG1 VAL 32 -4.574 4.116 -1.449 266 2HG1 VAL 32 2HG1 VAL 32 -5.213 2.487 -1.694 267 3HG1 VAL 32 3HG1 VAL 32 -4.755 3.476 -3.090 268 1HG2 VAL 32 1HG2 VAL 32 -7.463 6.040 -2.588 269 2HG2 VAL 32 2HG2 VAL 32 -5.799 6.092 -2.025 270 3HG2 VAL 32 3HG2 VAL 32 -6.151 5.556 -3.682 271 H GLU 33 H GLU 33 -6.501 0.919 -3.435 272 HA GLU 33 HA GLU 33 -8.248 -0.498 -1.466 273 1HB GLU 33 1HB GLU 33 -8.074 -0.663 -4.444 274 2HB GLU 33 2HB GLU 33 -8.004 -2.222 -3.649 275 1HG GLU 33 1HG GLU 33 -10.136 -0.113 -3.086 276 2HG GLU 33 2HG GLU 33 -10.342 -1.443 -4.208 277 H SER 34 H SER 34 -7.503 -2.882 -1.303 278 HA SER 34 HA SER 34 -4.521 -2.933 -1.055 279 1HB SER 34 1HB SER 34 -6.639 -3.477 1.040 280 2HB SER 34 2HB SER 34 -4.944 -3.955 1.217 281 HG SER 34 HG SER 34 -6.128 -1.403 1.083 282 H ALA 35 H ALA 35 -3.569 -4.971 -1.189 283 HA ALA 35 HA ALA 35 -5.156 -7.414 -0.981 284 1HB ALA 35 1HB ALA 35 -5.514 -6.790 -3.353 285 2HB ALA 35 2HB ALA 35 -3.755 -6.699 -3.601 286 3HB ALA 35 3HB ALA 35 -4.539 -8.254 -3.222 287 H GLY 36 H GLY 36 -3.437 -9.350 -1.543 288 1HA GLY 36 1HA GLY 36 -0.671 -8.549 -1.498 289 2HA GLY 36 2HA GLY 36 -1.145 -9.284 0.025 290 H LEU 37 H LEU 37 0.886 -10.352 -1.352 291 HA LEU 37 HA LEU 37 0.243 -12.282 -3.372 292 1HB LEU 37 1HB LEU 37 2.561 -11.977 -1.429 293 2HB LEU 37 2HB LEU 37 2.510 -13.265 -2.615 294 HG LEU 37 HG LEU 37 2.221 -10.369 -3.488 295 1HD1 LEU 37 1HD1 LEU 37 4.835 -11.898 -3.137 296 2HD1 LEU 37 2HD1 LEU 37 4.638 -10.302 -3.903 297 3HD1 LEU 37 3HD1 LEU 37 4.303 -10.496 -2.181 298 1HD2 LEU 37 1HD2 LEU 37 3.118 -11.275 -5.613 299 2HD2 LEU 37 2HD2 LEU 37 3.245 -12.887 -4.890 300 3HD2 LEU 37 3HD2 LEU 37 1.656 -12.142 -5.137 301 H GLY 38 H GLY 38 0.917 -12.710 0.126 302 1HA GLY 38 1HA GLY 38 -0.534 -15.336 0.076 303 2HA GLY 38 2HA GLY 38 0.832 -14.944 1.143 304 H ALA 39 H ALA 39 -1.992 -13.018 0.101 305 HA ALA 39 HA ALA 39 -2.448 -11.870 2.702 306 1HB ALA 39 1HB ALA 39 -4.504 -10.996 1.668 307 2HB ALA 39 2HB ALA 39 -3.155 -10.829 0.534 308 3HB ALA 39 3HB ALA 39 -4.332 -12.147 0.340 309 H LEU 40 H LEU 40 -4.438 -12.121 3.943 310 HA LEU 40 HA LEU 40 -5.211 -14.998 4.181 311 1HB LEU 40 1HB LEU 40 -5.068 -12.812 6.290 312 2HB LEU 40 2HB LEU 40 -5.559 -14.488 6.553 313 HG LEU 40 HG LEU 40 -2.783 -13.553 5.708 314 1HD1 LEU 40 1HD1 LEU 40 -3.370 -13.000 8.041 315 2HD1 LEU 40 2HD1 LEU 40 -3.782 -14.700 8.350 316 3HD1 LEU 40 3HD1 LEU 40 -2.110 -14.236 7.964 317 1HD2 LEU 40 1HD2 LEU 40 -3.186 -15.783 4.784 318 2HD2 LEU 40 2HD2 LEU 40 -2.093 -15.906 6.161 319 3HD2 LEU 40 3HD2 LEU 40 -3.802 -16.359 6.352 320 H VAL 41 H VAL 41 -6.851 -14.796 2.630 321 HA VAL 41 HA VAL 41 -8.736 -12.878 2.328 322 HB VAL 41 HB VAL 41 -8.436 -14.684 0.839 323 1HG1 VAL 41 1HG1 VAL 41 -9.878 -16.544 2.766 324 2HG1 VAL 41 2HG1 VAL 41 -9.325 -16.918 1.125 325 3HG1 VAL 41 3HG1 VAL 41 -8.141 -16.593 2.395 326 1HG2 VAL 41 1HG2 VAL 41 -10.742 -15.076 0.191 327 2HG2 VAL 41 2HG2 VAL 41 -11.316 -14.625 1.808 328 3HG2 VAL 41 3HG2 VAL 41 -10.543 -13.412 0.762 329 H GLY 42 H GLY 42 -10.080 -11.837 3.624 330 1HA GLY 42 1HA GLY 42 -11.957 -11.579 4.933 331 2HA GLY 42 2HA GLY 42 -12.024 -13.318 5.200 332 H LYS 43 H LYS 43 -8.873 -12.330 6.085 333 HA LYS 43 HA LYS 43 -9.485 -12.997 8.783 334 1HB LYS 43 1HB LYS 43 -7.423 -13.537 7.540 335 2HB LYS 43 2HB LYS 43 -6.893 -11.857 7.641 336 1HG LYS 43 1HG LYS 43 -7.599 -13.363 10.168 337 2HG LYS 43 2HG LYS 43 -6.106 -13.783 9.350 338 1HD LYS 43 1HD LYS 43 -5.053 -11.794 9.771 339 2HD LYS 43 2HD LYS 43 -6.526 -10.848 9.857 340 1HE LYS 43 1HE LYS 43 -5.505 -12.778 11.990 341 2HE LYS 43 2HE LYS 43 -5.435 -11.014 12.037 342 1HZ LYS 43 1HZ LYS 43 -7.310 -11.575 13.286 343 2HZ LYS 43 2HZ LYS 43 -7.963 -11.137 11.834 344 3HZ LYS 43 3HZ LYS 43 -7.831 -12.708 12.237 345 H GLY 44 H GLY 44 -9.631 -9.840 7.320 346 1HA GLY 44 1HA GLY 44 -10.280 -7.860 8.405 347 2HA GLY 44 2HA GLY 44 -9.893 -8.569 9.965 348 H ALA 45 H ALA 45 -9.031 -5.978 9.201 349 HA ALA 45 HA ALA 45 -6.227 -5.979 8.512 350 1HB ALA 45 1HB ALA 45 -7.594 -3.954 8.315 351 2HB ALA 45 2HB ALA 45 -7.951 -3.978 10.048 352 3HB ALA 45 3HB ALA 45 -6.289 -3.684 9.488 353 H ASP 46 H ASP 46 -4.424 -5.732 9.963 354 HA ASP 46 HA ASP 46 -4.524 -7.593 12.119 355 1HB ASP 46 1HB ASP 46 -2.551 -7.253 10.708 356 2HB ASP 46 2HB ASP 46 -2.350 -5.618 11.343 357 HA PRO 47 HA PRO 47 -5.919 -4.869 15.420 358 1HB PRO 47 1HB PRO 47 -4.189 -6.689 17.100 359 2HB PRO 47 2HB PRO 47 -5.836 -6.067 17.441 360 1HG PRO 47 1HG PRO 47 -5.507 -8.579 16.489 361 2HG PRO 47 2HG PRO 47 -6.802 -7.534 15.817 362 1HD PRO 47 1HD PRO 47 -4.089 -8.158 14.642 363 2HD PRO 47 2HD PRO 47 -5.686 -8.043 13.838 364 H THR 48 H THR 48 -2.413 -5.529 15.009 365 HA THR 48 HA THR 48 -1.651 -3.469 16.939 366 HB THR 48 HB THR 48 0.306 -4.420 14.906 367 HG1 THR 48 1HG THR 48 -0.747 -6.269 15.089 368 1HG2 THR 48 1HG2 THR 48 0.355 -4.367 17.953 369 2HG2 THR 48 2HG2 THR 48 1.738 -4.707 16.889 370 3HG2 THR 48 3HG2 THR 48 0.987 -3.103 16.867 371 H ALA 49 H ALA 49 -1.979 -3.868 13.387 372 HA ALA 49 HA ALA 49 -0.945 -1.277 12.685 373 1HB ALA 49 1HB ALA 49 -2.068 -1.715 10.530 374 2HB ALA 49 2HB ALA 49 -1.167 -3.146 11.069 375 3HB ALA 49 3HB ALA 49 -2.932 -3.096 11.239 376 H ILE 50 H ILE 50 -4.259 -2.554 13.340 377 HA ILE 50 HA ILE 50 -5.682 -0.130 13.004 378 HB ILE 50 HB ILE 50 -6.131 -2.483 14.859 379 1HG1 ILE 50 1HG1 ILE 50 -7.669 -1.804 12.319 380 2HG1 ILE 50 2HG1 ILE 50 -6.227 -2.808 12.275 381 1HG2 ILE 50 1HG2 ILE 50 -7.377 -0.570 15.784 382 2HG2 ILE 50 2HG2 ILE 50 -8.086 -0.233 14.192 383 3HG2 ILE 50 3HG2 ILE 50 -8.504 -1.710 15.083 384 1HD1 ILE 50 1HD1 ILE 50 -8.235 -4.191 12.295 385 2HD1 ILE 50 2HD1 ILE 50 -7.304 -4.457 13.773 386 3HD1 ILE 50 3HD1 ILE 50 -8.782 -3.468 13.805 387 H SER 51 H SER 51 -4.109 -1.473 15.990 388 HA SER 51 HA SER 51 -4.892 0.628 17.684 389 1HB SER 51 1HB SER 51 -2.382 -1.097 17.843 390 2HB SER 51 2HB SER 51 -3.075 -0.133 19.156 391 HG SER 51 HG SER 51 -4.214 -2.378 17.832 392 H VAL 52 H VAL 52 -1.799 0.299 15.799 393 HA VAL 52 HA VAL 52 -0.763 2.811 16.688 394 HB VAL 52 HB VAL 52 -0.189 1.042 14.280 395 1HG1 VAL 52 1HG1 VAL 52 0.460 3.339 13.634 396 2HG1 VAL 52 2HG1 VAL 52 1.381 3.511 15.144 397 3HG1 VAL 52 3HG1 VAL 52 1.867 2.322 13.910 398 1HG2 VAL 52 1HG2 VAL 52 1.915 0.621 15.610 399 2HG2 VAL 52 2HG2 VAL 52 1.266 1.622 16.910 400 3HG2 VAL 52 3HG2 VAL 52 0.452 0.108 16.461 401 H ALA 53 H ALA 53 -2.863 1.953 13.842 402 HA ALA 53 HA ALA 53 -2.661 4.585 12.735 403 1HB ALA 53 1HB ALA 53 -4.881 2.540 12.389 404 2HB ALA 53 2HB ALA 53 -4.435 3.852 11.269 405 3HB ALA 53 3HB ALA 53 -3.329 2.501 11.512 406 H ALA 54 H ALA 54 -4.964 3.110 15.075 407 HA ALA 54 HA ALA 54 -6.664 5.400 15.267 408 1HB ALA 54 1HB ALA 54 -6.066 3.207 17.311 409 2HB ALA 54 2HB ALA 54 -7.438 4.333 17.360 410 3HB ALA 54 3HB ALA 54 -7.318 3.143 16.048 411 H GLU 55 H GLU 55 -3.584 4.533 16.948 412 HA GLU 55 HA GLU 55 -3.639 6.788 18.718 413 1HB GLU 55 1HB GLU 55 -1.393 5.046 17.651 414 2HB GLU 55 2HB GLU 55 -1.086 6.399 18.727 415 1HG GLU 55 1HG GLU 55 -2.973 4.110 19.420 416 2HG GLU 55 2HG GLU 55 -1.268 4.152 19.846 417 H HIS 56 H HIS 56 -3.228 6.673 15.291 418 HA HIS 56 HA HIS 56 -2.374 9.533 15.296 419 1HB HIS 56 1HB HIS 56 -2.217 7.462 13.080 420 2HB HIS 56 2HB HIS 56 -1.738 9.154 12.938 421 HD1 HIS 56 HD1 HIS 56 0.355 9.834 14.854 422 HD2 HIS 56 HD2 HIS 56 -0.299 5.853 13.674 423 HE1 HIS 56 HE1 HIS 56 2.482 8.563 15.434 424 H GLN 57 H GLN 57 -5.114 7.921 15.562 425 HA GLN 57 HA GLN 57 -7.256 8.225 15.013 426 1HB GLN 57 1HB GLN 57 -6.393 11.123 14.652 427 2HB GLN 57 2HB GLN 57 -8.051 10.552 14.816 428 1HG GLN 57 1HG GLN 57 -7.509 11.308 16.950 429 2HG GLN 57 2HG GLN 57 -7.430 9.557 17.063 430 1HE2 GLN 57 2HE2 GLN 57 -5.516 8.674 17.891 431 2HE2 GLN 57 1HE2 GLN 57 -4.019 9.568 18.088 432 H LEU 58 H LEU 58 -6.059 6.976 12.981 433 HA LEU 58 HA LEU 58 -7.897 7.827 10.789 434 1HB LEU 58 1HB LEU 58 -5.835 8.645 10.050 435 2HB LEU 58 2HB LEU 58 -4.937 7.234 10.590 436 HG LEU 58 HG LEU 58 -5.158 7.612 8.145 437 1HD1 LEU 58 1HD1 LEU 58 -6.279 4.897 8.816 438 2HD1 LEU 58 2HD1 LEU 58 -5.062 5.381 7.607 439 3HD1 LEU 58 3HD1 LEU 58 -4.644 5.376 9.307 440 1HD2 LEU 58 1HD2 LEU 58 -7.156 7.147 6.940 441 2HD2 LEU 58 2HD2 LEU 58 -8.011 6.597 8.391 442 3HD2 LEU 58 3HD2 LEU 58 -7.574 8.311 8.193 443 H SER 59 H SER 59 -9.304 6.189 10.572 444 HA SER 59 HA SER 59 -8.882 3.798 12.076 445 1HB SER 59 1HB SER 59 -11.131 4.481 10.130 446 2HB SER 59 2HB SER 59 -11.194 3.336 11.484 447 HG SER 59 HG SER 59 -12.133 5.367 12.004 448 H LEU 60 H LEU 60 -8.706 1.647 11.357 449 HA LEU 60 HA LEU 60 -8.321 1.199 8.404 450 1HB LEU 60 1HB LEU 60 -7.135 -0.477 10.626 451 2HB LEU 60 2HB LEU 60 -6.930 -0.708 8.896 452 HG LEU 60 HG LEU 60 -5.810 1.526 10.599 453 1HD1 LEU 60 1HD1 LEU 60 -3.649 0.550 9.991 454 2HD1 LEU 60 2HD1 LEU 60 -4.687 -0.704 10.690 455 3HD1 LEU 60 3HD1 LEU 60 -4.440 -0.635 8.935 456 1HD2 LEU 60 1HD2 LEU 60 -5.582 1.187 7.583 457 2HD2 LEU 60 2HD2 LEU 60 -6.385 2.518 8.436 458 3HD2 LEU 60 3HD2 LEU 60 -4.643 2.335 8.573 459 H GLU 61 H GLU 61 -10.716 1.194 10.403 460 HA GLU 61 HA GLU 61 -11.615 -1.495 10.711 461 1HB GLU 61 1HB GLU 61 -13.086 1.177 10.552 462 2HB GLU 61 2HB GLU 61 -13.883 -0.342 10.953 463 1HG GLU 61 1HG GLU 61 -11.577 0.837 12.569 464 2HG GLU 61 2HG GLU 61 -13.277 1.108 12.919 465 H GLY 62 H GLY 62 -13.173 -2.660 9.516 466 1HA GLY 62 1HA GLY 62 -14.619 -3.113 7.800 467 2HA GLY 62 2HA GLY 62 -14.235 -1.558 7.047 468 H HIS 63 H HIS 63 -11.199 -2.435 7.187 469 HA HIS 63 HA HIS 63 -11.207 -3.718 4.568 470 1HB HIS 63 1HB HIS 63 -9.430 -2.111 5.120 471 2HB HIS 63 2HB HIS 63 -8.898 -3.134 6.465 472 HD1 HIS 63 HD1 HIS 63 -9.313 -3.476 2.597 473 HD2 HIS 63 HD2 HIS 63 -7.213 -5.086 5.872 474 HE1 HIS 63 HE1 HIS 63 -7.797 -5.295 1.665 475 H CYS 64 H CYS 64 -10.813 -5.827 4.105 476 HA CYS 64 HA CYS 64 -9.942 -7.667 6.244 477 1HB CYS 64 1HB CYS 64 -12.310 -8.122 4.363 478 2HB CYS 64 2HB CYS 64 -11.526 -9.402 5.296 479 HG CYS 64 HG CYS 64 -13.812 -8.762 6.405 480 H ALA 65 H ALA 65 -8.184 -8.746 5.465 481 HA ALA 65 HA ALA 65 -7.088 -8.060 2.995 482 1HB ALA 65 1HB ALA 65 -5.688 -8.744 4.803 483 2HB ALA 65 2HB ALA 65 -6.480 -10.333 4.926 484 3HB ALA 65 3HB ALA 65 -5.467 -9.952 3.525 485 H ARG 66 H ARG 66 -6.439 -9.377 1.168 486 HA ARG 66 HA ARG 66 -7.947 -11.757 0.446 487 1HB ARG 66 1HB ARG 66 -9.172 -10.785 -1.427 488 2HB ARG 66 2HB ARG 66 -9.742 -10.140 0.093 489 1HG ARG 66 1HG ARG 66 -7.968 -8.661 -1.912 490 2HG ARG 66 2HG ARG 66 -9.705 -8.482 -1.692 491 1HD ARG 66 1HD ARG 66 -8.912 -7.977 0.843 492 2HD ARG 66 2HD ARG 66 -7.460 -7.457 0.001 493 HE ARG 66 HE ARG 66 -8.635 -5.715 -1.015 494 1HH1 ARG 66 1HH2 ARG 66 -10.691 -7.449 1.306 495 2HH1 ARG 66 2HH2 ARG 66 -12.115 -6.528 0.967 496 1HH2 ARG 66 1HH1 ARG 66 -10.406 -4.208 -1.079 497 2HH2 ARG 66 2HH1 ARG 66 -11.921 -4.601 -0.343 498 H GLN 67 H GLN 67 -7.089 -12.678 -1.528 499 HA GLN 67 HA GLN 67 -4.311 -11.930 -1.864 500 1HB GLN 67 1HB GLN 67 -5.998 -14.149 -3.069 501 2HB GLN 67 2HB GLN 67 -4.338 -13.817 -3.576 502 1HG GLN 67 1HG GLN 67 -3.617 -14.013 -1.152 503 2HG GLN 67 2HG GLN 67 -5.236 -14.626 -0.787 504 1HE2 GLN 67 2HE2 GLN 67 -2.139 -15.277 -2.450 505 2HE2 GLN 67 1HE2 GLN 67 -2.461 -16.963 -2.780 506 H ILE 68 H ILE 68 -3.199 -11.296 -3.540 507 HA ILE 68 HA ILE 68 -4.442 -9.523 -5.429 508 HB ILE 68 HB ILE 68 -2.120 -9.328 -4.513 509 1HG1 ILE 68 1HG1 ILE 68 -0.932 -8.728 -6.597 510 2HG1 ILE 68 2HG1 ILE 68 -2.163 -9.543 -7.560 511 1HG2 ILE 68 1HG2 ILE 68 -1.515 -11.769 -4.617 512 2HG2 ILE 68 2HG2 ILE 68 -1.310 -11.587 -6.364 513 3HG2 ILE 68 3HG2 ILE 68 -0.286 -10.662 -5.254 514 1HD1 ILE 68 1HD1 ILE 68 -2.699 -7.198 -5.687 515 2HD1 ILE 68 2HD1 ILE 68 -2.431 -7.051 -7.431 516 3HD1 ILE 68 3HD1 ILE 68 -3.852 -7.920 -6.834 517 H SER 69 H SER 69 -4.780 -9.899 -7.651 518 HA SER 69 HA SER 69 -4.302 -12.586 -8.754 519 1HB SER 69 1HB SER 69 -6.603 -12.826 -9.521 520 2HB SER 69 2HB SER 69 -6.599 -12.625 -7.758 521 HG SER 69 HG SER 69 -8.162 -11.309 -8.636 522 H ARG 70 H ARG 70 -4.587 -12.531 -11.179 523 HA ARG 70 HA ARG 70 -3.460 -10.231 -12.414 524 1HB ARG 70 1HB ARG 70 -3.514 -12.582 -13.346 525 2HB ARG 70 2HB ARG 70 -5.236 -12.388 -13.651 526 1HG ARG 70 1HG ARG 70 -4.078 -12.079 -15.698 527 2HG ARG 70 2HG ARG 70 -4.704 -10.495 -15.233 528 1HD ARG 70 1HD ARG 70 -2.575 -9.652 -14.727 529 2HD ARG 70 2HD ARG 70 -1.891 -11.255 -14.453 530 HE ARG 70 HE ARG 70 -2.499 -10.026 -17.119 531 1HH1 ARG 70 1HH2 ARG 70 -0.663 -12.520 -15.308 532 2HH1 ARG 70 2HH2 ARG 70 -0.138 -13.305 -16.757 533 1HH2 ARG 70 1HH1 ARG 70 -1.642 -10.869 -18.882 534 2HH2 ARG 70 2HH1 ARG 70 -0.603 -12.282 -18.876 535 H ARG 71 H ARG 71 -6.900 -11.237 -11.963 536 HA ARG 71 HA ARG 71 -8.112 -9.118 -13.364 537 1HB ARG 71 1HB ARG 71 -9.280 -11.117 -12.405 538 2HB ARG 71 2HB ARG 71 -9.049 -10.446 -10.783 539 1HG ARG 71 1HG ARG 71 -10.409 -8.429 -11.480 540 2HG ARG 71 2HG ARG 71 -10.653 -9.192 -13.057 541 1HD ARG 71 1HD ARG 71 -12.608 -9.579 -11.720 542 2HD ARG 71 2HD ARG 71 -11.781 -11.119 -11.906 543 HE ARG 71 HE ARG 71 -11.948 -9.399 -9.477 544 1HH1 ARG 71 1HH2 ARG 71 -11.034 -12.555 -10.834 545 2HH1 ARG 71 2HH2 ARG 71 -10.786 -13.297 -9.299 546 1HH2 ARG 71 1HH1 ARG 71 -11.615 -10.388 -7.440 547 2HH2 ARG 71 2HH1 ARG 71 -11.130 -12.036 -7.331 548 H LEU 72 H LEU 72 -7.087 -9.200 -9.873 549 HA LEU 72 HA LEU 72 -7.881 -6.504 -9.397 550 1HB LEU 72 1HB LEU 72 -6.111 -8.484 -7.993 551 2HB LEU 72 2HB LEU 72 -5.806 -6.773 -7.684 552 HG LEU 72 HG LEU 72 -8.229 -6.453 -7.196 553 1HD1 LEU 72 1HD1 LEU 72 -8.328 -9.487 -7.010 554 2HD1 LEU 72 2HD1 LEU 72 -9.615 -8.357 -6.550 555 3HD1 LEU 72 3HD1 LEU 72 -9.151 -8.512 -8.249 556 1HD2 LEU 72 1HD2 LEU 72 -6.544 -6.605 -5.428 557 2HD2 LEU 72 2HD2 LEU 72 -8.060 -7.341 -4.895 558 3HD2 LEU 72 3HD2 LEU 72 -6.705 -8.379 -5.392 559 H CYS 73 H CYS 73 -4.699 -7.832 -10.506 560 HA CYS 73 HA CYS 73 -3.424 -5.337 -10.597 561 1HB CYS 73 1HB CYS 73 -3.011 -7.797 -12.371 562 2HB CYS 73 2HB CYS 73 -1.904 -6.418 -12.290 563 HG CYS 73 HG CYS 73 -0.885 -8.400 -10.933 564 H ARG 74 H ARG 74 -5.948 -6.500 -12.755 565 HA ARG 74 HA ARG 74 -5.286 -4.349 -14.721 566 1HB ARG 74 1HB ARG 74 -7.287 -6.638 -14.795 567 2HB ARG 74 2HB ARG 74 -7.018 -5.507 -16.113 568 1HG ARG 74 1HG ARG 74 -4.696 -7.183 -15.068 569 2HG ARG 74 2HG ARG 74 -5.909 -7.888 -16.115 570 1HD ARG 74 1HD ARG 74 -3.998 -7.202 -17.384 571 2HD ARG 74 2HD ARG 74 -5.428 -6.287 -17.878 572 HE ARG 74 HE ARG 74 -3.829 -4.890 -15.898 573 1HH1 ARG 74 1HH2 ARG 74 -3.669 -5.767 -19.341 574 2HH1 ARG 74 2HH2 ARG 74 -3.258 -4.173 -19.874 575 1HH2 ARG 74 1HH1 ARG 74 -2.991 -2.830 -16.608 576 2HH2 ARG 74 2HH1 ARG 74 -2.758 -2.524 -18.286 577 H ASN 75 H ASN 75 -7.345 -4.916 -12.004 578 HA ASN 75 HA ASN 75 -9.594 -3.415 -12.920 579 1HB ASN 75 1HB ASN 75 -9.692 -5.160 -11.157 580 2HB ASN 75 2HB ASN 75 -8.756 -4.122 -10.080 581 1HD2 ASN 75 2HD2 ASN 75 -9.876 -2.420 -8.958 582 2HD2 ASN 75 1HD2 ASN 75 -11.589 -2.153 -9.154 583 H TYR 76 H TYR 76 -6.552 -2.422 -11.423 584 HA TYR 76 HA TYR 76 -7.643 0.340 -11.031 585 1HB TYR 76 1HB TYR 76 -5.405 -0.872 -9.399 586 2HB TYR 76 2HB TYR 76 -6.274 0.620 -9.107 587 HD1 TYR 76 HD1 TYR 76 -8.508 0.580 -7.963 588 HD2 TYR 76 HD2 TYR 76 -6.352 -3.033 -8.860 589 HE1 TYR 76 HE1 TYR 76 -10.014 -0.689 -6.465 590 HE2 TYR 76 HE2 TYR 76 -7.819 -4.308 -7.352 591 HH TYR 76 HH TYR 76 -9.671 -4.238 -5.929 592 H ASP 77 H ASP 77 -5.850 2.044 -11.225 593 HA ASP 77 HA ASP 77 -4.539 1.375 -13.767 594 1HB ASP 77 1HB ASP 77 -5.956 3.446 -13.372 595 2HB ASP 77 2HB ASP 77 -4.614 4.086 -12.413 596 H LEU 78 H LEU 78 -3.584 2.021 -10.450 597 HA LEU 78 HA LEU 78 -0.696 1.790 -11.190 598 1HB LEU 78 1HB LEU 78 -1.928 3.491 -8.971 599 2HB LEU 78 2HB LEU 78 -0.210 3.223 -9.226 600 HG LEU 78 HG LEU 78 -2.092 4.779 -11.032 601 1HD1 LEU 78 1HD1 LEU 78 -1.465 5.947 -8.986 602 2HD1 LEU 78 2HD1 LEU 78 0.252 5.627 -9.281 603 3HD1 LEU 78 3HD1 LEU 78 -0.657 6.689 -10.374 604 1HD2 LEU 78 1HD2 LEU 78 0.808 3.989 -11.476 605 2HD2 LEU 78 2HD2 LEU 78 -0.590 3.777 -12.539 606 3HD2 LEU 78 3HD2 LEU 78 0.055 5.393 -12.269 607 H ILE 79 H ILE 79 0.451 0.371 -9.873 608 HA ILE 79 HA ILE 79 -1.085 -0.974 -7.688 609 HB ILE 79 HB ILE 79 0.873 -2.365 -9.540 610 1HG1 ILE 79 1HG1 ILE 79 -0.980 -1.724 -10.982 611 2HG1 ILE 79 2HG1 ILE 79 -0.869 -3.452 -10.747 612 1HG2 ILE 79 1HG2 ILE 79 0.591 -3.390 -7.351 613 2HG2 ILE 79 2HG2 ILE 79 -1.168 -3.379 -7.521 614 3HG2 ILE 79 3HG2 ILE 79 -0.181 -4.410 -8.578 615 1HD1 ILE 79 1HD1 ILE 79 -3.205 -2.658 -10.775 616 2HD1 ILE 79 2HD1 ILE 79 -2.803 -3.438 -9.243 617 3HD1 ILE 79 3HD1 ILE 79 -2.901 -1.666 -9.345 618 H LEU 80 H LEU 80 -0.132 0.055 -5.977 619 HA LEU 80 HA LEU 80 2.786 0.557 -5.966 620 1HB LEU 80 1HB LEU 80 0.570 1.082 -3.935 621 2HB LEU 80 2HB LEU 80 2.266 1.374 -3.614 622 HG LEU 80 HG LEU 80 1.195 3.442 -4.124 623 1HD1 LEU 80 1HD1 LEU 80 3.547 3.105 -4.956 624 2HD1 LEU 80 2HD1 LEU 80 2.878 2.702 -6.545 625 3HD1 LEU 80 3HD1 LEU 80 2.621 4.315 -5.866 626 1HD2 LEU 80 1HD2 LEU 80 0.501 2.492 -6.921 627 2HD2 LEU 80 2HD2 LEU 80 -0.633 2.478 -5.556 628 3HD2 LEU 80 3HD2 LEU 80 0.061 4.013 -6.123 629 H THR 81 H THR 81 4.201 -0.511 -4.508 630 HA THR 81 HA THR 81 3.020 -2.445 -2.687 631 HB THR 81 HB THR 81 3.277 -3.731 -4.768 632 HG1 THR 81 1HG THR 81 3.421 -4.689 -2.731 633 1HG2 THR 81 1HG2 THR 81 6.270 -3.317 -4.409 634 2HG2 THR 81 2HG2 THR 81 5.472 -4.401 -5.573 635 3HG2 THR 81 3HG2 THR 81 5.275 -2.646 -5.725 636 H MET 82 H MET 82 5.004 -3.531 -1.383 637 HA MET 82 HA MET 82 6.052 -1.084 -0.117 638 1HB MET 82 1HB MET 82 5.881 -3.964 0.856 639 2HB MET 82 2HB MET 82 6.235 -2.555 1.841 640 1HG MET 82 1HG MET 82 3.576 -3.107 0.441 641 2HG MET 82 2HG MET 82 3.946 -3.407 2.118 642 1HE MET 82 1HE MET 82 4.087 -0.131 -0.401 643 2HE MET 82 2HE MET 82 2.581 -1.077 -0.430 644 3HE MET 82 3HE MET 82 2.609 0.548 0.299 645 H GLU 83 H GLU 83 7.283 -3.950 -1.806 646 HA GLU 83 HA GLU 83 10.062 -3.176 -1.092 647 1HB GLU 83 1HB GLU 83 8.814 -5.929 -0.676 648 2HB GLU 83 2HB GLU 83 10.539 -5.565 -0.591 649 1HG GLU 83 1HG GLU 83 10.078 -3.963 1.292 650 2HG GLU 83 2HG GLU 83 8.380 -4.447 1.248 651 H LYS 84 H LYS 84 11.671 -4.084 -2.574 652 HA LYS 84 HA LYS 84 10.652 -4.083 -5.289 653 1HB LYS 84 1HB LYS 84 13.446 -4.654 -4.208 654 2HB LYS 84 2HB LYS 84 13.032 -4.456 -5.916 655 1HG LYS 84 1HG LYS 84 12.233 -2.141 -5.468 656 2HG LYS 84 2HG LYS 84 12.663 -2.318 -3.772 657 1HD LYS 84 1HD LYS 84 15.085 -2.798 -4.597 658 2HD LYS 84 2HD LYS 84 14.510 -2.255 -6.174 659 1HE LYS 84 1HE LYS 84 15.252 -0.225 -5.415 660 2HE LYS 84 2HE LYS 84 13.618 -0.163 -4.762 661 1HZ LYS 84 1HZ LYS 84 14.839 -1.275 -2.704 662 2HZ LYS 84 2HZ LYS 84 16.155 -0.591 -3.370 663 3HZ LYS 84 3HZ LYS 84 14.903 0.370 -2.928 664 H ARG 85 H ARG 85 11.621 -6.670 -3.009 665 HA ARG 85 HA ARG 85 11.477 -8.805 -4.882 666 1HB ARG 85 1HB ARG 85 10.943 -10.242 -2.932 667 2HB ARG 85 2HB ARG 85 12.385 -9.256 -2.723 668 1HG ARG 85 1HG ARG 85 11.251 -7.747 -1.211 669 2HG ARG 85 2HG ARG 85 9.680 -8.491 -1.548 670 1HD ARG 85 1HD ARG 85 10.459 -10.612 -0.557 671 2HD ARG 85 2HD ARG 85 12.025 -9.867 -0.184 672 HE ARG 85 HE ARG 85 10.629 -8.148 1.138 673 1HH1 ARG 85 1HH2 ARG 85 9.986 -11.644 1.092 674 2HH1 ARG 85 2HH2 ARG 85 9.103 -11.628 2.570 675 1HH2 ARG 85 1HH1 ARG 85 9.326 -8.077 2.951 676 2HH2 ARG 85 2HH1 ARG 85 8.785 -9.549 3.708 677 H HIS 86 H HIS 86 8.851 -6.904 -3.374 678 HA HIS 86 HA HIS 86 6.799 -8.823 -4.188 679 1HB HIS 86 1HB HIS 86 6.505 -5.896 -3.443 680 2HB HIS 86 2HB HIS 86 5.215 -7.071 -3.635 681 HD1 HIS 86 HD1 HIS 86 7.452 -9.062 -1.658 682 HD2 HIS 86 HD2 HIS 86 5.098 -5.643 -1.015 683 HE1 HIS 86 HE1 HIS 86 7.144 -8.859 0.860 684 H ILE 87 H ILE 87 8.290 -5.790 -5.512 685 HA ILE 87 HA ILE 87 6.591 -5.518 -7.749 686 HB ILE 87 HB ILE 87 9.573 -4.898 -7.569 687 1HG1 ILE 87 1HG1 ILE 87 7.151 -3.108 -7.120 688 2HG1 ILE 87 2HG1 ILE 87 8.200 -3.741 -5.853 689 1HG2 ILE 87 1HG2 ILE 87 7.525 -3.841 -9.563 690 2HG2 ILE 87 2HG2 ILE 87 9.232 -3.363 -9.454 691 3HG2 ILE 87 3HG2 ILE 87 8.818 -4.996 -9.928 692 1HD1 ILE 87 1HD1 ILE 87 8.833 -1.525 -6.192 693 2HD1 ILE 87 2HD1 ILE 87 10.123 -2.494 -6.932 694 3HD1 ILE 87 3HD1 ILE 87 8.906 -1.680 -7.952 695 H GLU 88 H GLU 88 9.562 -7.538 -7.314 696 HA GLU 88 HA GLU 88 9.611 -8.555 -9.931 697 1HB GLU 88 1HB GLU 88 11.411 -8.774 -8.236 698 2HB GLU 88 2HB GLU 88 10.447 -9.972 -7.364 699 1HG GLU 88 1HG GLU 88 10.498 -11.474 -9.323 700 2HG GLU 88 2HG GLU 88 11.368 -10.254 -10.257 701 H ARG 89 H ARG 89 7.790 -9.825 -7.060 702 HA ARG 89 HA ARG 89 6.803 -12.110 -8.520 703 1HB ARG 89 1HB ARG 89 5.789 -10.830 -5.971 704 2HB ARG 89 2HB ARG 89 5.184 -12.341 -6.655 705 1HG ARG 89 1HG ARG 89 7.996 -11.790 -5.688 706 2HG ARG 89 2HG ARG 89 6.795 -12.804 -4.897 707 1HD ARG 89 1HD ARG 89 8.440 -13.320 -7.382 708 2HD ARG 89 2HD ARG 89 8.369 -14.277 -5.910 709 HE ARG 89 HE ARG 89 6.852 -14.654 -8.269 710 1HH1 ARG 89 1HH2 ARG 89 6.273 -14.842 -4.752 711 2HH1 ARG 89 2HH2 ARG 89 4.999 -15.991 -4.929 712 1HH2 ARG 89 1HH1 ARG 89 5.340 -16.079 -8.489 713 2HH2 ARG 89 2HH1 ARG 89 4.404 -16.735 -7.156 714 H LEU 90 H LEU 90 5.466 -8.830 -7.886 715 HA LEU 90 HA LEU 90 2.910 -9.380 -9.093 716 1HB LEU 90 1HB LEU 90 4.449 -6.930 -8.270 717 2HB LEU 90 2HB LEU 90 3.165 -6.725 -9.457 718 HG LEU 90 HG LEU 90 1.497 -7.660 -7.994 719 1HD1 LEU 90 1HD1 LEU 90 1.948 -8.218 -5.634 720 2HD1 LEU 90 2HD1 LEU 90 2.811 -9.305 -6.712 721 3HD1 LEU 90 3HD1 LEU 90 3.682 -7.990 -5.892 722 1HD2 LEU 90 1HD2 LEU 90 3.199 -5.583 -6.549 723 2HD2 LEU 90 2HD2 LEU 90 2.067 -5.253 -7.881 724 3HD2 LEU 90 3HD2 LEU 90 1.457 -5.866 -6.343 725 H CYS 91 H CYS 91 6.013 -8.129 -10.423 726 HA CYS 91 HA CYS 91 5.120 -7.654 -13.061 727 1HB CYS 91 1HB CYS 91 7.321 -6.968 -12.126 728 2HB CYS 91 2HB CYS 91 7.823 -8.667 -12.049 729 HG CYS 91 HG CYS 91 9.040 -7.505 -14.021 730 H GLU 92 H GLU 92 6.405 -10.673 -11.492 731 HA GLU 92 HA GLU 92 6.253 -12.343 -13.760 732 1HB GLU 92 1HB GLU 92 7.514 -12.875 -11.732 733 2HB GLU 92 2HB GLU 92 6.029 -12.967 -10.789 734 1HG GLU 92 1HG GLU 92 5.286 -14.913 -12.174 735 2HG GLU 92 2HG GLU 92 6.817 -14.831 -13.057 736 H MET 93 H MET 93 3.763 -11.593 -11.250 737 HA MET 93 HA MET 93 1.859 -13.497 -12.305 738 1HB MET 93 1HB MET 93 1.602 -11.164 -10.362 739 2HB MET 93 2HB MET 93 0.248 -12.199 -10.832 740 1HG MET 93 1HG MET 93 1.510 -14.200 -10.047 741 2HG MET 93 2HG MET 93 2.812 -13.149 -9.506 742 1HE MET 93 1HE MET 93 -1.222 -12.835 -9.143 743 2HE MET 93 2HE MET 93 -0.737 -14.535 -8.933 744 3HE MET 93 3HE MET 93 -1.363 -13.613 -7.553 745 H ALA 94 H ALA 94 2.480 -10.038 -12.957 746 HA ALA 94 HA ALA 94 0.381 -10.106 -15.072 747 1HB ALA 94 1HB ALA 94 0.616 -8.007 -12.877 748 2HB ALA 94 2HB ALA 94 -0.502 -7.961 -14.259 749 3HB ALA 94 3HB ALA 94 -0.670 -9.226 -13.025 750 HA PRO 95 HA PRO 95 4.488 -8.263 -16.247 751 1HB PRO 95 1HB PRO 95 4.771 -9.443 -18.734 752 2HB PRO 95 2HB PRO 95 5.312 -10.169 -17.191 753 1HG PRO 95 1HG PRO 95 2.735 -10.688 -18.696 754 2HG PRO 95 2HG PRO 95 3.852 -11.881 -17.961 755 1HD PRO 95 1HD PRO 95 1.591 -11.078 -16.693 756 2HD PRO 95 2HD PRO 95 3.098 -11.376 -15.778 757 H GLU 96 H GLU 96 1.413 -8.505 -18.079 758 HA GLU 96 HA GLU 96 1.947 -6.345 -19.857 759 1HB GLU 96 1HB GLU 96 -0.436 -6.384 -20.293 760 2HB GLU 96 2HB GLU 96 0.188 -8.030 -20.195 761 1HG GLU 96 1HG GLU 96 -0.664 -8.163 -17.824 762 2HG GLU 96 2HG GLU 96 -1.383 -6.565 -18.025 763 H MET 97 H MET 97 1.513 -6.262 -16.442 764 HA MET 97 HA MET 97 0.664 -3.419 -16.477 765 1HB MET 97 1HB MET 97 -0.782 -5.241 -15.390 766 2HB MET 97 2HB MET 97 0.523 -5.463 -14.220 767 1HG MET 97 1HG MET 97 -1.219 -4.075 -13.319 768 2HG MET 97 2HG MET 97 0.246 -3.134 -13.473 769 1HE MET 97 1HE MET 97 -1.427 -0.928 -13.051 770 2HE MET 97 2HE MET 97 -2.835 -0.619 -14.082 771 3HE MET 97 3HE MET 97 -2.811 -2.037 -13.017 772 H ARG 98 H ARG 98 3.486 -5.177 -16.412 773 HA ARG 98 HA ARG 98 4.694 -4.688 -13.993 774 1HB ARG 98 1HB ARG 98 6.808 -5.115 -15.042 775 2HB ARG 98 2HB ARG 98 5.574 -6.164 -15.734 776 1HG ARG 98 1HG ARG 98 5.432 -4.476 -17.685 777 2HG ARG 98 2HG ARG 98 6.885 -3.724 -17.024 778 1HD ARG 98 1HD ARG 98 6.633 -6.648 -17.845 779 2HD ARG 98 2HD ARG 98 7.323 -5.367 -18.857 780 HE ARG 98 HE ARG 98 8.782 -5.186 -16.540 781 1HH1 ARG 98 1HH1 ARG 98 8.142 -7.814 -18.838 782 2HH1 ARG 98 2HH1 ARG 98 9.631 -8.632 -18.542 783 1HH2 ARG 98 1HH2 ARG 98 10.777 -6.267 -16.150 784 2HH2 ARG 98 2HH2 ARG 98 11.163 -7.723 -16.982 785 H GLY 99 H GLY 99 4.561 -2.325 -16.684 786 1HA GLY 99 1HA GLY 99 6.414 -0.468 -15.581 787 2HA GLY 99 2HA GLY 99 5.143 -0.118 -16.763 788 H LYS 100 H LYS 100 3.047 -1.150 -14.752 789 HA LYS 100 HA LYS 100 2.727 1.409 -13.284 790 1HB LYS 100 1HB LYS 100 0.816 -0.906 -13.783 791 2HB LYS 100 2HB LYS 100 0.404 0.593 -12.968 792 1HG LYS 100 1HG LYS 100 1.173 0.325 -15.905 793 2HG LYS 100 2HG LYS 100 -0.442 0.554 -15.239 794 1HD LYS 100 1HD LYS 100 0.469 2.745 -14.187 795 2HD LYS 100 2HD LYS 100 1.878 2.522 -15.226 796 1HE LYS 100 1HE LYS 100 0.372 4.007 -16.365 797 2HE LYS 100 2HE LYS 100 0.348 2.458 -17.216 798 1HZ LYS 100 1HZ LYS 100 -1.723 1.963 -15.950 799 2HZ LYS 100 2HZ LYS 100 -1.734 3.479 -15.342 800 3HZ LYS 100 3HZ LYS 100 -1.878 3.251 -16.950 801 H VAL 101 H VAL 101 4.067 -1.662 -12.599 802 HA VAL 101 HA VAL 101 3.077 -1.678 -9.838 803 HB VAL 101 HB VAL 101 5.273 -3.353 -11.123 804 1HG1 VAL 101 1HG1 VAL 101 3.726 -3.686 -8.508 805 2HG1 VAL 101 2HG1 VAL 101 4.945 -4.809 -9.162 806 3HG1 VAL 101 3HG1 VAL 101 5.418 -3.187 -8.649 807 1HG2 VAL 101 1HG2 VAL 101 3.633 -5.189 -11.192 808 2HG2 VAL 101 2HG2 VAL 101 2.356 -4.104 -10.595 809 3HG2 VAL 101 3HG2 VAL 101 3.082 -3.854 -12.193 810 H MET 102 H MET 102 4.173 -0.493 -8.220 811 HA MET 102 HA MET 102 6.855 0.650 -8.880 812 1HB MET 102 1HB MET 102 4.399 2.270 -8.109 813 2HB MET 102 2HB MET 102 6.033 2.910 -8.311 814 1HG MET 102 1HG MET 102 5.979 2.227 -10.702 815 2HG MET 102 2HG MET 102 4.322 1.662 -10.493 816 1HE MET 102 1HE MET 102 2.274 3.145 -9.921 817 2HE MET 102 2HE MET 102 3.043 4.053 -8.597 818 3HE MET 102 3HE MET 102 2.281 4.925 -9.938 819 H LEU 103 H LEU 103 8.072 1.273 -7.077 820 HA LEU 103 HA LEU 103 7.359 0.060 -4.561 821 1HB LEU 103 1HB LEU 103 9.732 0.297 -5.430 822 2HB LEU 103 2HB LEU 103 9.590 2.037 -5.253 823 HG LEU 103 HG LEU 103 9.323 1.790 -2.809 824 1HD1 LEU 103 1HD1 LEU 103 9.670 -1.198 -3.336 825 2HD1 LEU 103 2HD1 LEU 103 9.749 -0.419 -1.741 826 3HD1 LEU 103 3HD1 LEU 103 8.240 -0.411 -2.633 827 1HD2 LEU 103 1HD2 LEU 103 11.714 0.244 -3.871 828 2HD2 LEU 103 2HD2 LEU 103 11.572 2.013 -3.825 829 3HD2 LEU 103 3HD2 LEU 103 11.606 1.093 -2.313 830 H PHE 104 H PHE 104 6.138 1.004 -2.945 831 HA PHE 104 HA PHE 104 5.049 3.570 -3.272 832 1HB PHE 104 1HB PHE 104 4.149 1.622 -1.945 833 2HB PHE 104 2HB PHE 104 5.300 2.014 -0.671 834 HD1 PHE 104 HD1 PHE 104 4.061 2.872 1.150 835 HD2 PHE 104 HD2 PHE 104 3.011 4.120 -2.839 836 HE1 PHE 104 HE1 PHE 104 2.266 4.338 2.064 837 HE2 PHE 104 HE2 PHE 104 1.270 5.584 -1.937 838 HZ PHE 104 HZ PHE 104 0.830 5.651 0.511 839 H GLY 105 H GLY 105 7.966 2.569 -1.471 840 1HA GLY 105 1HA GLY 105 8.361 5.250 -0.354 841 2HA GLY 105 2HA GLY 105 9.405 3.846 -0.160 842 H HIS 106 H HIS 106 8.536 4.564 -3.480 843 HA HIS 106 HA HIS 106 11.103 4.758 -4.456 844 1HB HIS 106 1HB HIS 106 9.317 4.361 -5.920 845 2HB HIS 106 2HB HIS 106 8.478 5.845 -5.454 846 HD1 HIS 106 HD1 HIS 106 11.629 4.792 -7.524 847 HD2 HIS 106 HD2 HIS 106 8.954 7.999 -6.853 848 HE1 HIS 106 HE1 HIS 106 12.160 6.557 -9.267 849 H TRP 107 H TRP 107 9.009 7.525 -3.473 850 HA TRP 107 HA TRP 107 10.739 9.562 -4.341 851 1HB TRP 107 1HB TRP 107 8.929 9.703 -1.908 852 2HB TRP 107 2HB TRP 107 9.412 11.024 -2.964 853 HD1 TRP 107 HD1 TRP 107 6.780 8.432 -2.477 854 HE1 TRP 107 HE1 TRP 107 5.055 8.493 -4.327 855 HE3 TRP 107 HE3 TRP 107 9.241 11.502 -5.770 856 HZ2 TRP 107 HZ2 TRP 107 4.746 9.714 -6.948 857 HZ3 TRP 107 HZ3 TRP 107 8.202 12.080 -7.948 858 HH2 TRP 107 HH2 TRP 107 5.948 11.194 -8.539 859 H ASP 108 H ASP 108 10.920 7.589 -1.414 860 HA ASP 108 HA ASP 108 12.767 9.458 -0.085 861 1HB ASP 108 1HB ASP 108 10.918 8.306 1.146 862 2HB ASP 108 2HB ASP 108 11.715 6.758 0.848 863 H ASN 109 H ASN 109 13.928 8.884 -2.348 864 HA ASN 109 HA ASN 109 15.392 7.752 -3.564 865 1HB ASN 109 1HB ASN 109 17.507 7.965 -2.968 866 2HB ASN 109 2HB ASN 109 16.758 9.015 -1.783 867 1HD2 ASN 109 2HD2 ASN 109 16.010 7.190 0.257 868 2HD2 ASN 109 1HD2 ASN 109 17.483 6.510 0.913 869 H GLU 110 H GLU 110 13.438 6.173 -3.267 870 HA GLU 110 HA GLU 110 12.664 4.079 -3.283 871 1HB GLU 110 1HB GLU 110 15.386 3.388 -4.432 872 2HB GLU 110 2HB GLU 110 13.851 2.543 -4.685 873 1HG GLU 110 1HG GLU 110 12.981 4.852 -5.533 874 2HG GLU 110 2HG GLU 110 14.682 5.278 -5.689 875 H CYS 111 H CYS 111 13.477 4.713 -0.728 876 HA CYS 111 HA CYS 111 14.673 2.375 0.523 877 1HB CYS 111 1HB CYS 111 12.940 4.680 1.490 878 2HB CYS 111 2HB CYS 111 13.398 3.325 2.550 879 HG CYS 111 HG CYS 111 15.247 5.456 0.888 880 H GLU 112 H GLU 112 13.716 0.459 0.870 881 HA GLU 112 HA GLU 112 10.905 0.016 0.135 882 1HB GLU 112 1HB GLU 112 13.170 -1.767 1.121 883 2HB GLU 112 2HB GLU 112 11.535 -2.358 0.778 884 1HG GLU 112 1HG GLU 112 11.683 -1.755 -1.543 885 2HG GLU 112 2HG GLU 112 13.139 -0.812 -1.298 886 H ILE 113 H ILE 113 9.335 -0.850 1.656 887 HA ILE 113 HA ILE 113 9.507 0.595 4.177 888 HB ILE 113 HB ILE 113 7.339 -1.317 3.285 889 1HG1 ILE 113 1HG1 ILE 113 7.533 0.279 1.457 890 2HG1 ILE 113 2HG1 ILE 113 6.068 0.559 2.363 891 1HG2 ILE 113 1HG2 ILE 113 7.273 1.042 5.213 892 2HG2 ILE 113 2HG2 ILE 113 5.879 0.059 4.725 893 3HG2 ILE 113 3HG2 ILE 113 7.194 -0.675 5.633 894 1HD1 ILE 113 1HD1 ILE 113 7.159 2.659 1.694 895 2HD1 ILE 113 2HD1 ILE 113 7.073 2.530 3.454 896 3HD1 ILE 113 3HD1 ILE 113 8.613 2.226 2.609 897 HA PRO 114 HA PRO 114 11.077 -3.041 6.457 898 1HB PRO 114 1HB PRO 114 9.684 -1.744 8.785 899 2HB PRO 114 2HB PRO 114 11.355 -2.366 8.676 900 1HG PRO 114 1HG PRO 114 10.837 0.312 8.594 901 2HG PRO 114 2HG PRO 114 12.103 -0.420 7.557 902 1HD PRO 114 1HD PRO 114 9.288 0.378 6.800 903 2HD PRO 114 2HD PRO 114 10.822 0.595 5.899 904 H ASP 115 H ASP 115 10.057 -4.863 7.720 905 HA ASP 115 HA ASP 115 7.173 -5.203 7.021 906 1HB ASP 115 1HB ASP 115 8.408 -6.962 6.094 907 2HB ASP 115 2HB ASP 115 9.438 -7.126 7.527 908 HA PRO 116 HA PRO 116 6.829 -4.869 11.543 909 1HB PRO 116 1HB PRO 116 4.245 -4.196 11.779 910 2HB PRO 116 2HB PRO 116 5.404 -3.071 11.016 911 1HG PRO 116 1HG PRO 116 3.512 -5.021 9.646 912 2HG PRO 116 2HG PRO 116 3.727 -3.277 9.301 913 1HD PRO 116 1HD PRO 116 5.036 -5.273 7.906 914 2HD PRO 116 2HD PRO 116 5.755 -3.661 8.176 915 H TYR 117 H TYR 117 5.398 -7.328 9.478 916 HA TYR 117 HA TYR 117 3.365 -8.349 11.012 917 1HB TYR 117 1HB TYR 117 3.786 -9.010 8.729 918 2HB TYR 117 2HB TYR 117 5.348 -9.698 9.164 919 HD1 TYR 117 HD1 TYR 117 5.547 -11.963 9.589 920 HD2 TYR 117 HD2 TYR 117 1.698 -10.078 9.959 921 HE1 TYR 117 HE1 TYR 117 4.507 -14.195 9.899 922 HE2 TYR 117 HE2 TYR 117 0.636 -12.304 10.331 923 HH TYR 117 HH TYR 117 2.497 -15.372 10.127 924 H ARG 118 H ARG 118 3.171 -9.403 12.870 925 HA ARG 118 HA ARG 118 3.612 -10.516 14.750 926 1HB ARG 118 1HB ARG 118 3.821 -12.192 12.826 927 2HB ARG 118 2HB ARG 118 5.557 -12.193 13.131 928 1HG ARG 118 1HG ARG 118 5.205 -13.074 15.383 929 2HG ARG 118 2HG ARG 118 3.456 -12.835 15.261 930 1HD ARG 118 1HD ARG 118 5.074 -14.687 13.460 931 2HD ARG 118 2HD ARG 118 4.249 -15.222 14.924 932 HE ARG 118 HE ARG 118 3.073 -14.539 12.337 933 1HH1 ARG 118 1HH2 ARG 118 2.335 -15.067 15.773 934 2HH1 ARG 118 2HH2 ARG 118 0.653 -15.337 15.506 935 1HH2 ARG 118 1HH1 ARG 118 0.882 -14.902 11.978 936 2HH2 ARG 118 2HH1 ARG 118 -0.201 -15.245 13.287 937 H LYS 119 H LYS 119 5.319 -8.132 14.244 938 HA LYS 119 HA LYS 119 7.408 -8.762 16.289 939 1HB LYS 119 1HB LYS 119 7.601 -7.052 13.780 940 2HB LYS 119 2HB LYS 119 8.707 -6.853 15.143 941 1HG LYS 119 1HG LYS 119 9.444 -9.152 15.019 942 2HG LYS 119 2HG LYS 119 8.293 -9.531 13.743 943 1HD LYS 119 1HD LYS 119 10.513 -7.466 13.462 944 2HD LYS 119 2HD LYS 119 10.699 -9.157 13.011 945 1HE LYS 119 1HE LYS 119 8.639 -7.250 11.808 946 2HE LYS 119 2HE LYS 119 10.190 -7.658 11.082 947 1HZ LYS 119 1HZ LYS 119 7.937 -9.518 11.544 948 2HZ LYS 119 2HZ LYS 119 8.504 -9.004 10.105 949 3HZ LYS 119 3HZ LYS 119 9.429 -9.997 11.020 950 H SER 120 H SER 120 8.146 -6.582 17.313 951 HA SER 120 HA SER 120 6.020 -5.926 18.984 952 1HB SER 120 1HB SER 120 8.587 -4.344 18.553 953 2HB SER 120 2HB SER 120 7.618 -4.421 20.039 954 HG SER 120 HG SER 120 9.433 -5.823 20.109 955 H ARG 121 H ARG 121 5.036 -3.832 19.507 956 HA ARG 121 HA ARG 121 3.764 -2.688 17.279 957 1HB ARG 121 1HB ARG 121 2.876 -2.777 19.597 958 2HB ARG 121 2HB ARG 121 4.019 -1.518 20.085 959 1HG ARG 121 1HG ARG 121 2.978 0.088 18.562 960 2HG ARG 121 2HG ARG 121 1.935 -1.164 17.881 961 1HD ARG 121 1HD ARG 121 1.866 -0.235 20.783 962 2HD ARG 121 2HD ARG 121 0.812 0.373 19.495 963 HE ARG 121 HE ARG 121 0.731 -2.516 19.729 964 1HH1 ARG 121 1HH1 ARG 121 -0.567 0.454 21.172 965 2HH1 ARG 121 2HH1 ARG 121 -2.017 -0.284 21.740 966 1HH2 ARG 121 1HH2 ARG 121 -1.219 -3.505 20.473 967 2HH2 ARG 121 2HH2 ARG 121 -2.412 -2.570 21.285 968 H GLU 122 H GLU 122 6.773 -1.615 18.887 969 HA GLU 122 HA GLU 122 6.897 0.940 17.685 970 1HB GLU 122 1HB GLU 122 9.287 0.859 18.114 971 2HB GLU 122 2HB GLU 122 8.364 0.278 19.498 972 1HG GLU 122 1HG GLU 122 8.875 -2.071 18.851 973 2HG GLU 122 2HG GLU 122 9.815 -1.489 17.475 974 H THR 123 H THR 123 7.412 -2.258 16.245 975 HA THR 123 HA THR 123 8.767 -1.283 13.878 976 HB THR 123 HB THR 123 7.041 -3.742 13.755 977 HG1 THR 123 1HG THR 123 7.788 -4.121 15.714 978 1HG2 THR 123 1HG2 THR 123 9.945 -3.191 12.996 979 2HG2 THR 123 2HG2 THR 123 9.024 -4.665 12.625 980 3HG2 THR 123 3HG2 THR 123 8.554 -3.120 11.892 981 H PHE 124 H PHE 124 5.326 -1.913 14.813 982 HA PHE 124 HA PHE 124 4.237 -1.200 12.242 983 1HB PHE 124 1HB PHE 124 3.051 -1.305 15.039 984 2HB PHE 124 2HB PHE 124 2.138 -0.796 13.633 985 HD1 PHE 124 HD1 PHE 124 1.235 -2.352 12.065 986 HD2 PHE 124 HD2 PHE 124 3.940 -3.710 15.148 987 HE1 PHE 124 HE1 PHE 124 0.624 -4.709 11.582 988 HE2 PHE 124 HE2 PHE 124 3.333 -6.052 14.637 989 HZ PHE 124 HZ PHE 124 1.675 -6.560 12.857 990 H ALA 125 H ALA 125 5.054 0.715 15.191 991 HA ALA 125 HA ALA 125 3.924 3.160 14.260 992 1HB ALA 125 1HB ALA 125 6.302 2.751 16.123 993 2HB ALA 125 2HB ALA 125 5.325 4.221 15.957 994 3HB ALA 125 3HB ALA 125 4.588 2.744 16.609 995 H ALA 126 H ALA 126 7.294 1.884 13.930 996 HA ALA 126 HA ALA 126 8.321 4.088 12.439 997 1HB ALA 126 1HB ALA 126 9.096 1.132 12.348 998 2HB ALA 126 2HB ALA 126 10.065 2.487 11.731 999 3HB ALA 126 3HB ALA 126 9.743 2.350 13.471 1000 H VAL 127 H VAL 127 6.775 1.018 11.351 1001 HA VAL 127 HA VAL 127 6.967 1.608 8.572 1002 HB VAL 127 HB VAL 127 5.229 -0.242 10.234 1003 1HG1 VAL 127 1HG1 VAL 127 5.274 -0.018 7.199 1004 2HG1 VAL 127 2HG1 VAL 127 4.637 -1.400 8.116 1005 3HG1 VAL 127 3HG1 VAL 127 3.869 0.180 8.271 1006 1HG2 VAL 127 1HG2 VAL 127 7.708 -0.698 9.994 1007 2HG2 VAL 127 2HG2 VAL 127 6.707 -1.955 9.278 1008 3HG2 VAL 127 3HG2 VAL 127 7.488 -0.750 8.238 1009 H TYR 128 H TYR 128 4.249 2.310 10.927 1010 HA TYR 128 HA TYR 128 2.538 3.473 9.012 1011 1HB TYR 128 1HB TYR 128 1.917 2.945 11.357 1012 2HB TYR 128 2HB TYR 128 2.917 4.276 11.929 1013 HD1 TYR 128 HD1 TYR 128 2.318 6.690 11.130 1014 HD2 TYR 128 HD2 TYR 128 -0.342 3.316 10.710 1015 HE1 TYR 128 HE1 TYR 128 0.454 8.231 10.675 1016 HE2 TYR 128 HE2 TYR 128 -2.231 4.857 10.309 1017 HH TYR 128 HH TYR 128 -2.908 7.061 10.129 1018 H THR 129 H THR 129 5.209 4.986 10.925 1019 HA THR 129 HA THR 129 4.740 7.629 9.999 1020 HB THR 129 HB THR 129 7.375 6.353 10.865 1021 HG1 THR 129 1HG THR 129 5.870 5.980 12.452 1022 1HG2 THR 129 1HG2 THR 129 6.385 9.240 10.997 1023 2HG2 THR 129 2HG2 THR 129 7.900 8.631 11.706 1024 3HG2 THR 129 3HG2 THR 129 7.681 8.622 9.951 1025 H LEU 130 H LEU 130 6.876 5.023 8.681 1026 HA LEU 130 HA LEU 130 7.886 6.659 6.557 1027 1HB LEU 130 1HB LEU 130 9.006 4.648 7.466 1028 2HB LEU 130 2HB LEU 130 7.704 3.631 6.843 1029 HG LEU 130 HG LEU 130 8.313 4.185 4.532 1030 1HD1 LEU 130 1HD1 LEU 130 10.429 5.448 4.059 1031 2HD1 LEU 130 2HD1 LEU 130 9.158 6.473 4.718 1032 3HD1 LEU 130 3HD1 LEU 130 10.496 5.922 5.770 1033 1HD2 LEU 130 1HD2 LEU 130 9.371 2.328 5.663 1034 2HD2 LEU 130 2HD2 LEU 130 10.485 3.044 4.486 1035 3HD2 LEU 130 3HD2 LEU 130 10.698 3.364 6.227 1036 H LEU 131 H LEU 131 5.090 4.430 6.790 1037 HA LEU 131 HA LEU 131 4.365 4.601 4.009 1038 1HB LEU 131 1HB LEU 131 2.765 3.925 6.514 1039 2HB LEU 131 2HB LEU 131 2.076 3.897 4.897 1040 HG LEU 131 HG LEU 131 4.408 2.148 5.799 1041 1HD1 LEU 131 1HD1 LEU 131 2.259 1.545 6.868 1042 2HD1 LEU 131 2HD1 LEU 131 1.492 1.449 5.262 1043 3HD1 LEU 131 3HD1 LEU 131 2.784 0.316 5.711 1044 1HD2 LEU 131 1HD2 LEU 131 3.949 0.914 3.693 1045 2HD2 LEU 131 2HD2 LEU 131 2.862 2.216 3.191 1046 3HD2 LEU 131 3HD2 LEU 131 4.599 2.528 3.428 1047 H GLU 132 H GLU 132 3.587 6.639 6.881 1048 HA GLU 132 HA GLU 132 1.686 8.250 5.479 1049 1HB GLU 132 1HB GLU 132 1.775 8.196 7.894 1050 2HB GLU 132 2HB GLU 132 3.399 8.871 7.922 1051 1HG GLU 132 1HG GLU 132 1.089 10.361 6.593 1052 2HG GLU 132 2HG GLU 132 1.327 10.432 8.340 1053 H ARG 133 H ARG 133 5.260 8.714 6.032 1054 HA ARG 133 HA ARG 133 5.494 11.035 4.423 1055 1HB ARG 133 1HB ARG 133 7.438 8.705 4.807 1056 2HB ARG 133 2HB ARG 133 7.830 10.179 3.909 1057 1HG ARG 133 1HG ARG 133 7.361 11.548 5.911 1058 2HG ARG 133 2HG ARG 133 6.953 10.078 6.809 1059 1HD ARG 133 1HD ARG 133 9.230 10.837 7.337 1060 2HD ARG 133 2HD ARG 133 9.230 9.244 6.587 1061 HE ARG 133 HE ARG 133 9.913 11.820 5.212 1062 1HH1 ARG 133 1HH2 ARG 133 10.541 8.345 5.621 1063 2HH1 ARG 133 2HH2 ARG 133 11.762 8.272 4.389 1064 1HH2 ARG 133 1HH1 ARG 133 11.629 11.741 3.672 1065 2HH2 ARG 133 2HH1 ARG 133 12.429 10.236 3.325 1066 H SER 134 H SER 134 5.585 7.613 3.429 1067 HA SER 134 HA SER 134 6.075 8.087 0.673 1068 1HB SER 134 1HB SER 134 4.539 5.789 1.949 1069 2HB SER 134 2HB SER 134 5.252 5.806 0.328 1070 HG SER 134 HG SER 134 6.583 5.925 2.848 1071 H ALA 135 H ALA 135 2.927 7.670 2.417 1072 HA ALA 135 HA ALA 135 1.280 8.071 0.144 1073 1HB ALA 135 1HB ALA 135 -0.500 8.510 1.790 1074 2HB ALA 135 2HB ALA 135 0.478 7.120 2.302 1075 3HB ALA 135 3HB ALA 135 0.706 8.703 3.076 1076 H ARG 136 H ARG 136 2.716 10.415 2.467 1077 HA ARG 136 HA ARG 136 1.304 12.718 1.541 1078 1HB ARG 136 1HB ARG 136 2.684 12.400 3.672 1079 2HB ARG 136 2HB ARG 136 4.135 12.564 2.682 1080 1HG ARG 136 1HG ARG 136 3.130 14.847 1.946 1081 2HG ARG 136 2HG ARG 136 2.008 14.643 3.285 1082 1HD ARG 136 1HD ARG 136 5.028 14.866 3.350 1083 2HD ARG 136 2HD ARG 136 3.832 15.975 4.061 1084 HE ARG 136 HE ARG 136 3.515 13.500 5.367 1085 1HH1 ARG 136 1HH2 ARG 136 5.996 16.042 5.052 1086 2HH1 ARG 136 2HH2 ARG 136 6.747 15.679 6.559 1087 1HH2 ARG 136 1HH1 ARG 136 4.543 12.980 7.318 1088 2HH2 ARG 136 2HH1 ARG 136 5.886 13.922 7.894 1089 H GLN 137 H GLN 137 4.478 11.282 0.587 1090 HA GLN 137 HA GLN 137 5.107 13.280 -1.334 1091 1HB GLN 137 1HB GLN 137 5.989 10.383 -1.082 1092 2HB GLN 137 2HB GLN 137 6.713 11.553 -2.187 1093 1HG GLN 137 1HG GLN 137 6.631 12.106 0.802 1094 2HG GLN 137 2HG GLN 137 7.845 11.048 0.098 1095 1HE2 GLN 137 2HE2 GLN 137 9.336 12.651 1.053 1096 2HE2 GLN 137 1HE2 GLN 137 9.706 14.097 0.142 1097 H TRP 138 H TRP 138 3.522 10.015 -1.732 1098 HA TRP 138 HA TRP 138 3.112 10.301 -4.524 1099 1HB TRP 138 1HB TRP 138 1.723 8.660 -2.396 1100 2HB TRP 138 2HB TRP 138 1.087 8.728 -4.035 1101 HD1 TRP 138 HD1 TRP 138 3.796 7.092 -2.035 1102 HE1 TRP 138 HE1 TRP 138 5.347 5.731 -3.468 1103 HE3 TRP 138 HE3 TRP 138 1.992 8.459 -6.629 1104 HZ2 TRP 138 HZ2 TRP 138 5.789 5.242 -6.312 1105 HZ3 TRP 138 HZ3 TRP 138 3.033 7.553 -8.689 1106 HH2 TRP 138 HH2 TRP 138 4.952 5.979 -8.541 1107 H ALA 139 H ALA 139 1.006 11.358 -1.774 1108 HA ALA 139 HA ALA 139 -1.107 12.334 -3.394 1109 1HB ALA 139 1HB ALA 139 -0.069 13.263 -0.673 1110 2HB ALA 139 2HB ALA 139 -1.604 13.757 -1.389 1111 3HB ALA 139 3HB ALA 139 -1.331 12.050 -0.979 1112 H GLN 140 H GLN 140 1.809 14.032 -2.118 1113 HA GLN 140 HA GLN 140 1.274 16.560 -3.213 1114 1HB GLN 140 1HB GLN 140 2.925 16.178 -1.479 1115 2HB GLN 140 2HB GLN 140 3.870 15.124 -2.529 1116 1HG GLN 140 1HG GLN 140 4.983 17.234 -2.291 1117 2HG GLN 140 2HG GLN 140 4.479 17.037 -3.958 1118 1HE2 GLN 140 2HE2 GLN 140 2.559 18.310 -4.717 1119 2HE2 GLN 140 1HE2 GLN 140 2.182 19.817 -3.899 1120 H ALA 141 H ALA 141 2.934 13.720 -4.689 1121 HA ALA 141 HA ALA 141 3.664 15.121 -7.101 1122 1HB ALA 141 1HB ALA 141 3.319 12.140 -6.526 1123 2HB ALA 141 2HB ALA 141 4.116 12.849 -7.946 1124 3HB ALA 141 3HB ALA 141 4.811 13.086 -6.331 1125 H LEU 142 H LEU 142 1.068 12.715 -6.404 1126 HA LEU 142 HA LEU 142 -0.167 12.763 -8.923 1127 1HB LEU 142 1HB LEU 142 -1.282 12.207 -6.148 1128 2HB LEU 142 2HB LEU 142 -2.236 11.991 -7.607 1129 HG LEU 142 HG LEU 142 0.398 10.529 -7.125 1130 1HD1 LEU 142 1HD1 LEU 142 -2.464 9.560 -6.699 1131 2HD1 LEU 142 2HD1 LEU 142 -0.992 8.570 -6.567 1132 3HD1 LEU 142 3HD1 LEU 142 -1.270 9.892 -5.425 1133 1HD2 LEU 142 1HD2 LEU 142 -0.437 9.017 -8.906 1134 2HD2 LEU 142 2HD2 LEU 142 -1.832 10.086 -9.150 1135 3HD2 LEU 142 3HD2 LEU 142 -0.187 10.655 -9.506 1136 H ASN 143 H ASN 143 -0.707 14.932 -6.145 1137 HA ASN 143 HA ASN 143 -2.960 16.317 -7.033 1138 1HB ASN 143 1HB ASN 143 -1.961 16.549 -4.800 1139 2HB ASN 143 2HB ASN 143 -0.542 17.338 -5.494 1140 1HD2 ASN 143 2HD2 ASN 143 -0.604 19.561 -5.254 1141 2HD2 ASN 143 1HD2 ASN 143 -2.059 20.520 -5.220 1142 H ALA 144 H ALA 144 0.214 16.389 -8.516 1143 HA ALA 144 HA ALA 144 -0.799 18.436 -10.382 1144 1HB ALA 144 1HB ALA 144 1.371 19.570 -10.400 1145 2HB ALA 144 2HB ALA 144 0.680 19.580 -8.764 1146 3HB ALA 144 3HB ALA 144 1.988 18.434 -9.170 1147 H GLU 145 H GLU 145 -0.677 15.574 -10.398 1148 HA GLU 145 HA GLU 145 0.435 15.319 -13.120 1149 1HB GLU 145 1HB GLU 145 0.904 13.259 -10.913 1150 2HB GLU 145 2HB GLU 145 1.133 12.971 -12.648 1151 1HG GLU 145 1HG GLU 145 2.739 14.929 -12.684 1152 2HG GLU 145 2HG GLU 145 2.665 14.956 -10.925 1153 H GLN 146 H GLN 146 -1.926 16.186 -12.610 1154 HA GLN 146 HA GLN 146 -3.787 13.993 -13.023 1155 1HB GLN 146 1HB GLN 146 -5.336 15.191 -11.428 1156 2HB GLN 146 2HB GLN 146 -3.879 14.471 -10.726 1157 1HG GLN 146 1HG GLN 146 -4.270 16.438 -9.553 1158 2HG GLN 146 2HG GLN 146 -2.821 16.635 -10.512 1159 1HE2 GLN 146 2HE2 GLN 146 -3.029 18.889 -10.130 1160 2HE2 GLN 146 1HE2 GLN 146 -4.099 19.866 -11.125 1161 H VAL 147 H VAL 147 -5.439 14.396 -14.304 1162 HA VAL 147 HA VAL 147 -5.808 16.822 -15.844 1163 HB VAL 147 HB VAL 147 -5.387 15.376 -17.952 1164 1HG1 VAL 147 1HG1 VAL 147 -3.967 17.321 -17.278 1165 2HG1 VAL 147 2HG1 VAL 147 -2.886 16.196 -16.422 1166 3HG1 VAL 147 3HG1 VAL 147 -3.093 16.072 -18.176 1167 1HG2 VAL 147 1HG2 VAL 147 -3.568 13.797 -16.051 1168 2HG2 VAL 147 2HG2 VAL 147 -5.023 13.175 -16.862 1169 3HG2 VAL 147 3HG2 VAL 147 -3.622 13.660 -17.821 Start of MODEL 9 1 H MET 1 H MET 1 -5.633 9.981 -15.670 2 HA MET 1 HA MET 1 -3.796 10.792 -13.535 3 1HB MET 1 1HB MET 1 -5.645 12.370 -13.847 4 2HB MET 1 2HB MET 1 -6.829 11.064 -13.735 5 1HG MET 1 1HG MET 1 -6.611 12.398 -11.659 6 2HG MET 1 2HG MET 1 -6.300 10.686 -11.407 7 1HE MET 1 1HE MET 1 -4.038 12.620 -8.774 8 2HE MET 1 2HE MET 1 -5.645 13.077 -9.376 9 3HE MET 1 3HE MET 1 -5.297 11.380 -8.966 10 H PHE 2 H PHE 2 -3.651 9.484 -11.732 11 HA PHE 2 HA PHE 2 -4.231 6.675 -12.132 12 1HB PHE 2 1HB PHE 2 -3.004 8.069 -9.727 13 2HB PHE 2 2HB PHE 2 -2.865 6.371 -10.164 14 HD1 PHE 2 HD1 PHE 2 -1.936 6.094 -12.781 15 HD2 PHE 2 HD2 PHE 2 -1.087 9.360 -10.097 16 HE1 PHE 2 HE1 PHE 2 0.132 6.598 -14.047 17 HE2 PHE 2 HE2 PHE 2 0.973 9.864 -11.365 18 HZ PHE 2 HZ PHE 2 1.598 8.483 -13.341 19 H ASN 3 H ASN 3 -6.663 7.400 -12.203 20 HA ASN 3 HA ASN 3 -8.050 8.340 -9.978 21 1HB ASN 3 1HB ASN 3 -9.013 8.275 -12.217 22 2HB ASN 3 2HB ASN 3 -9.023 6.507 -12.197 23 1HD2 ASN 3 2HD2 ASN 3 -10.422 9.404 -10.539 24 2HD2 ASN 3 1HD2 ASN 3 -11.856 8.580 -9.992 25 H ASN 4 H ASN 4 -7.251 4.961 -10.761 26 HA ASN 4 HA ASN 4 -8.496 4.085 -8.178 27 1HB ASN 4 1HB ASN 4 -9.867 3.563 -10.225 28 2HB ASN 4 2HB ASN 4 -8.497 2.652 -10.872 29 1HD2 ASN 4 2HD2 ASN 4 -9.536 0.524 -10.810 30 2HD2 ASN 4 1HD2 ASN 4 -9.929 -0.197 -9.280 31 H ILE 5 H ILE 5 -7.038 3.090 -6.855 32 HA ILE 5 HA ILE 5 -4.472 2.074 -8.045 33 HB ILE 5 HB ILE 5 -5.004 3.826 -5.615 34 1HG1 ILE 5 1HG1 ILE 5 -3.489 4.496 -8.177 35 2HG1 ILE 5 2HG1 ILE 5 -5.114 5.046 -7.786 36 1HG2 ILE 5 1HG2 ILE 5 -2.596 3.956 -5.209 37 2HG2 ILE 5 2HG2 ILE 5 -3.108 2.298 -5.113 38 3HG2 ILE 5 3HG2 ILE 5 -2.288 2.864 -6.583 39 1HD1 ILE 5 1HD1 ILE 5 -3.635 6.848 -7.349 40 2HD1 ILE 5 2HD1 ILE 5 -4.245 6.253 -5.797 41 3HD1 ILE 5 3HD1 ILE 5 -2.586 5.862 -6.332 42 H LEU 6 H LEU 6 -3.475 0.344 -6.901 43 HA LEU 6 HA LEU 6 -5.067 -0.872 -4.663 44 1HB LEU 6 1HB LEU 6 -5.156 -2.131 -6.875 45 2HB LEU 6 2HB LEU 6 -3.414 -2.322 -6.765 46 HG LEU 6 HG LEU 6 -3.722 -3.630 -4.651 47 1HD1 LEU 6 1HD1 LEU 6 -6.040 -4.494 -4.162 48 2HD1 LEU 6 2HD1 LEU 6 -5.835 -2.783 -3.822 49 3HD1 LEU 6 3HD1 LEU 6 -6.681 -3.290 -5.294 50 1HD2 LEU 6 1HD2 LEU 6 -3.539 -4.779 -6.812 51 2HD2 LEU 6 2HD2 LEU 6 -4.666 -5.637 -5.750 52 3HD2 LEU 6 3HD2 LEU 6 -5.289 -4.628 -7.070 53 H VAL 7 H VAL 7 -3.766 -1.604 -2.911 54 HA VAL 7 HA VAL 7 -0.817 -1.265 -3.197 55 HB VAL 7 HB VAL 7 -2.384 -1.109 -0.598 56 1HG1 VAL 7 1HG1 VAL 7 0.008 -1.715 -0.408 57 2HG1 VAL 7 2HG1 VAL 7 0.458 -0.297 -1.382 58 3HG1 VAL 7 3HG1 VAL 7 -0.274 -0.094 0.219 59 1HG2 VAL 7 1HG2 VAL 7 -2.008 1.350 -0.647 60 2HG2 VAL 7 2HG2 VAL 7 -1.432 1.223 -2.323 61 3HG2 VAL 7 3HG2 VAL 7 -3.113 0.822 -1.913 62 H VAL 8 H VAL 8 0.417 -3.093 -2.742 63 HA VAL 8 HA VAL 8 -1.073 -5.529 -1.886 64 HB VAL 8 HB VAL 8 0.862 -5.322 -4.207 65 1HG1 VAL 8 1HG1 VAL 8 -0.033 -7.561 -4.797 66 2HG1 VAL 8 2HG1 VAL 8 0.726 -7.583 -3.204 67 3HG1 VAL 8 3HG1 VAL 8 -1.052 -7.543 -3.352 68 1HG2 VAL 8 1HG2 VAL 8 -2.182 -5.429 -4.262 69 2HG2 VAL 8 2HG2 VAL 8 -1.154 -4.105 -4.860 70 3HG2 VAL 8 3HG2 VAL 8 -1.129 -5.665 -5.674 71 H CYS 9 H CYS 9 -0.072 -6.590 -0.234 72 HA CYS 9 HA CYS 9 2.916 -6.503 -0.025 73 1HB CYS 9 1HB CYS 9 0.932 -6.084 2.263 74 2HB CYS 9 2HB CYS 9 2.691 -6.108 2.402 75 HG CYS 9 HG CYS 9 0.590 -4.002 1.070 76 H VAL 10 H VAL 10 3.681 -8.223 1.733 77 HA VAL 10 HA VAL 10 2.042 -10.705 1.369 78 HB VAL 10 HB VAL 10 3.868 -11.790 2.663 79 1HG1 VAL 10 1HG1 VAL 10 5.496 -11.760 0.783 80 2HG1 VAL 10 2HG1 VAL 10 3.817 -11.935 0.256 81 3HG1 VAL 10 3HG1 VAL 10 4.631 -10.371 0.083 82 1HG2 VAL 10 1HG2 VAL 10 6.043 -10.684 2.928 83 2HG2 VAL 10 2HG2 VAL 10 5.361 -9.143 2.381 84 3HG2 VAL 10 3HG2 VAL 10 4.803 -9.877 3.893 85 H GLY 11 H GLY 11 1.104 -11.769 3.240 86 1HA GLY 11 1HA GLY 11 0.121 -11.850 5.330 87 2HA GLY 11 2HA GLY 11 1.049 -10.427 5.832 88 H ASN 12 H ASN 12 0.236 -8.631 3.794 89 HA ASN 12 HA ASN 12 -1.338 -7.297 2.939 90 1HB ASN 12 1HB ASN 12 -2.454 -9.408 2.246 91 2HB ASN 12 2HB ASN 12 -3.437 -9.353 3.710 92 1HD2 ASN 12 2HD2 ASN 12 -3.484 -6.120 3.133 93 2HD2 ASN 12 1HD2 ASN 12 -4.719 -6.096 1.885 94 H ILE 13 H ILE 13 -2.527 -8.697 6.023 95 HA ILE 13 HA ILE 13 -4.302 -6.624 6.591 96 HB ILE 13 HB ILE 13 -4.478 -7.672 8.798 97 1HG1 ILE 13 1HG1 ILE 13 -2.151 -9.480 8.006 98 2HG1 ILE 13 2HG1 ILE 13 -2.036 -8.144 9.147 99 1HG2 ILE 13 1HG2 ILE 13 -5.251 -9.837 8.016 100 2HG2 ILE 13 2HG2 ILE 13 -5.602 -8.619 6.802 101 3HG2 ILE 13 3HG2 ILE 13 -4.242 -9.749 6.565 102 1HD1 ILE 13 1HD1 ILE 13 -2.287 -10.177 10.401 103 2HD1 ILE 13 2HD1 ILE 13 -3.779 -9.234 10.576 104 3HD1 ILE 13 3HD1 ILE 13 -3.730 -10.643 9.490 105 H CYS 14 H CYS 14 -1.134 -5.887 6.483 106 HA CYS 14 HA CYS 14 -1.288 -4.050 8.849 107 1HB CYS 14 1HB CYS 14 1.254 -5.388 7.818 108 2HB CYS 14 2HB CYS 14 1.100 -4.273 9.182 109 HG CYS 14 HG CYS 14 -0.263 -7.255 8.766 110 H ARG 15 H ARG 15 0.925 -4.397 5.971 111 HA ARG 15 HA ARG 15 1.216 -1.524 5.998 112 1HB ARG 15 1HB ARG 15 2.217 -3.639 4.057 113 2HB ARG 15 2HB ARG 15 2.648 -1.922 3.973 114 1HG ARG 15 1HG ARG 15 3.539 -2.127 6.332 115 2HG ARG 15 2HG ARG 15 3.297 -3.870 6.228 116 1HD ARG 15 1HD ARG 15 5.134 -2.181 4.473 117 2HD ARG 15 2HD ARG 15 5.619 -3.272 5.774 118 HE ARG 15 HE ARG 15 4.058 -4.573 3.693 119 1HH1 ARG 15 1HH2 ARG 15 7.431 -3.748 4.682 120 2HH1 ARG 15 2HH2 ARG 15 8.092 -4.842 3.479 121 1HH2 ARG 15 1HH1 ARG 15 5.163 -6.032 2.152 122 2HH2 ARG 15 2HH1 ARG 15 6.894 -6.099 2.238 123 H SER 16 H SER 16 -0.417 -3.768 3.643 124 HA SER 16 HA SER 16 -1.105 -1.827 1.815 125 1HB SER 16 1HB SER 16 -2.931 -4.137 2.501 126 2HB SER 16 2HB SER 16 -2.747 -3.302 0.955 127 HG SER 16 HG SER 16 -1.637 -5.222 0.899 128 HA PRO 17 HA PRO 17 -5.212 -0.714 3.921 129 1HB PRO 17 1HB PRO 17 -5.636 -1.180 6.609 130 2HB PRO 17 2HB PRO 17 -6.151 -2.257 5.286 131 1HG PRO 17 1HG PRO 17 -3.667 -2.465 7.003 132 2HG PRO 17 2HG PRO 17 -4.812 -3.767 6.553 133 1HD PRO 17 1HD PRO 17 -2.487 -3.430 5.221 134 2HD PRO 17 2HD PRO 17 -3.988 -3.871 4.356 135 H THR 18 H THR 18 -2.197 -0.542 5.885 136 HA THR 18 HA THR 18 -2.908 1.935 7.191 137 HB THR 18 HB THR 18 -0.173 0.717 6.616 138 HG1 THR 18 1HG THR 18 -1.187 -0.685 7.897 139 1HG2 THR 18 1HG2 THR 18 0.537 2.063 8.606 140 2HG2 THR 18 2HG2 THR 18 0.070 3.078 7.234 141 3HG2 THR 18 3HG2 THR 18 -1.051 2.868 8.598 142 H ALA 19 H ALA 19 -0.947 1.149 4.235 143 HA ALA 19 HA ALA 19 -0.483 3.865 3.482 144 1HB ALA 19 1HB ALA 19 -0.659 1.286 1.873 145 2HB ALA 19 2HB ALA 19 -0.106 2.833 1.205 146 3HB ALA 19 3HB ALA 19 0.811 2.047 2.517 147 H GLU 20 H GLU 20 -3.023 1.506 2.465 148 HA GLU 20 HA GLU 20 -4.264 3.187 0.582 149 1HB GLU 20 1HB GLU 20 -4.599 0.823 0.616 150 2HB GLU 20 2HB GLU 20 -5.240 0.856 2.255 151 1HG GLU 20 1HG GLU 20 -6.793 2.534 0.357 152 2HG GLU 20 2HG GLU 20 -6.707 0.843 -0.091 153 H ARG 21 H ARG 21 -5.086 2.745 4.098 154 HA ARG 21 HA ARG 21 -7.252 4.616 3.954 155 1HB ARG 21 1HB ARG 21 -5.601 3.531 6.266 156 2HB ARG 21 2HB ARG 21 -6.944 4.627 6.504 157 1HG ARG 21 1HG ARG 21 -7.271 1.955 5.078 158 2HG ARG 21 2HG ARG 21 -7.494 2.213 6.806 159 1HD ARG 21 1HD ARG 21 -9.171 4.056 6.194 160 2HD ARG 21 2HD ARG 21 -9.161 3.396 4.556 161 HE ARG 21 HE ARG 21 -10.257 2.241 7.032 162 1HH1 ARG 21 1HH2 ARG 21 -9.326 1.467 3.642 163 2HH1 ARG 21 2HH2 ARG 21 -10.323 0.074 3.569 164 1HH2 ARG 21 1HH1 ARG 21 -11.610 0.342 6.866 165 2HH2 ARG 21 2HH1 ARG 21 -11.694 -0.510 5.369 166 H LEU 22 H LEU 22 -3.743 5.066 4.652 167 HA LEU 22 HA LEU 22 -3.989 7.813 5.461 168 1HB LEU 22 1HB LEU 22 -1.754 6.167 4.222 169 2HB LEU 22 2HB LEU 22 -1.561 7.892 4.491 170 HG LEU 22 HG LEU 22 -2.353 6.048 6.774 171 1HD1 LEU 22 1HD1 LEU 22 0.438 6.769 5.794 172 2HD1 LEU 22 2HD1 LEU 22 0.083 6.029 7.374 173 3HD1 LEU 22 3HD1 LEU 22 -0.271 5.157 5.876 174 1HD2 LEU 22 1HD2 LEU 22 -1.375 7.846 8.148 175 2HD2 LEU 22 2HD2 LEU 22 -0.967 8.772 6.689 176 3HD2 LEU 22 3HD2 LEU 22 -2.663 8.492 7.124 177 H LEU 23 H LEU 23 -3.456 6.275 2.247 178 HA LEU 23 HA LEU 23 -3.386 8.706 0.756 179 1HB LEU 23 1HB LEU 23 -4.234 5.887 -0.004 180 2HB LEU 23 2HB LEU 23 -4.097 7.209 -1.160 181 HG LEU 23 HG LEU 23 -1.719 6.409 0.552 182 1HD1 LEU 23 1HD1 LEU 23 -2.460 4.374 -0.563 183 2HD1 LEU 23 2HD1 LEU 23 -2.550 5.222 -2.132 184 3HD1 LEU 23 3HD1 LEU 23 -0.996 4.955 -1.323 185 1HD2 LEU 23 1HD2 LEU 23 -1.952 7.777 -2.163 186 2HD2 LEU 23 2HD2 LEU 23 -1.551 8.568 -0.622 187 3HD2 LEU 23 3HD2 LEU 23 -0.443 7.381 -1.319 188 H GLN 24 H GLN 24 -6.171 6.568 1.661 189 HA GLN 24 HA GLN 24 -8.150 8.068 0.274 190 1HB GLN 24 1HB GLN 24 -8.241 6.293 2.745 191 2HB GLN 24 2HB GLN 24 -9.675 7.085 2.130 192 1HG GLN 24 1HG GLN 24 -7.966 5.117 0.550 193 2HG GLN 24 2HG GLN 24 -9.486 4.747 1.362 194 1HE2 GLN 24 2HE2 GLN 24 -11.229 6.752 0.671 195 2HE2 GLN 24 1HE2 GLN 24 -11.334 6.931 -1.071 196 H ARG 25 H ARG 25 -6.791 8.491 3.610 197 HA ARG 25 HA ARG 25 -8.574 10.565 4.327 198 1HB ARG 25 1HB ARG 25 -7.127 9.302 5.902 199 2HB ARG 25 2HB ARG 25 -5.702 10.142 5.272 200 1HG ARG 25 1HG ARG 25 -6.575 12.300 6.046 201 2HG ARG 25 2HG ARG 25 -8.102 11.537 6.544 202 1HD ARG 25 1HD ARG 25 -6.884 10.150 8.174 203 2HD ARG 25 2HD ARG 25 -5.351 10.905 7.697 204 HE ARG 25 HE ARG 25 -6.782 13.080 8.367 205 1HH1 ARG 25 1HH2 ARG 25 -6.433 10.016 10.113 206 2HH1 ARG 25 2HH2 ARG 25 -6.459 10.735 11.687 207 1HH2 ARG 25 1HH1 ARG 25 -6.922 14.032 10.474 208 2HH2 ARG 25 2HH1 ARG 25 -6.807 13.045 11.881 209 H TYR 26 H TYR 26 -5.332 10.733 2.719 210 HA TYR 26 HA TYR 26 -5.406 13.593 2.494 211 1HB TYR 26 1HB TYR 26 -3.871 11.548 0.847 212 2HB TYR 26 2HB TYR 26 -3.591 13.285 0.854 213 HD1 TYR 26 HD1 TYR 26 -2.029 10.487 1.872 214 HD2 TYR 26 HD2 TYR 26 -3.547 14.140 3.606 215 HE1 TYR 26 HE1 TYR 26 -0.448 10.256 3.770 216 HE2 TYR 26 HE2 TYR 26 -1.984 13.902 5.497 217 HH TYR 26 HH TYR 26 -0.348 12.582 6.488 218 H HIS 27 H HIS 27 -6.745 11.016 0.470 219 HA HIS 27 HA HIS 27 -7.806 13.033 -1.441 220 1HB HIS 27 1HB HIS 27 -6.144 10.572 -1.978 221 2HB HIS 27 2HB HIS 27 -7.379 11.090 -3.120 222 HD1 HIS 27 HD1 HIS 27 -7.241 13.699 -3.938 223 HD2 HIS 27 HD2 HIS 27 -3.823 11.906 -2.256 224 HE1 HIS 27 HE1 HIS 27 -5.224 15.134 -4.671 225 HA PRO 28 HA PRO 28 -11.291 10.356 -0.054 226 1HB PRO 28 1HB PRO 28 -13.131 12.318 0.412 227 2HB PRO 28 2HB PRO 28 -11.862 11.886 1.598 228 1HG PRO 28 1HG PRO 28 -11.822 14.145 -0.431 229 2HG PRO 28 2HG PRO 28 -11.457 14.229 1.324 230 1HD PRO 28 1HD PRO 28 -9.506 13.991 -0.573 231 2HD PRO 28 2HD PRO 28 -9.356 13.206 1.029 232 H GLU 29 H GLU 29 -10.480 12.338 -2.689 233 HA GLU 29 HA GLU 29 -12.937 11.571 -4.215 234 1HB GLU 29 1HB GLU 29 -12.369 13.681 -5.573 235 2HB GLU 29 2HB GLU 29 -13.161 13.837 -4.022 236 1HG GLU 29 1HG GLU 29 -11.428 15.559 -4.415 237 2HG GLU 29 2HG GLU 29 -11.214 14.649 -2.933 238 H LEU 30 H LEU 30 -10.596 10.005 -3.753 239 HA LEU 30 HA LEU 30 -9.963 9.310 -6.528 240 1HB LEU 30 1HB LEU 30 -8.035 10.711 -5.330 241 2HB LEU 30 2HB LEU 30 -7.806 9.232 -4.394 242 HG LEU 30 HG LEU 30 -7.454 8.022 -6.630 243 1HD1 LEU 30 1HD1 LEU 30 -8.513 9.671 -8.140 244 2HD1 LEU 30 2HD1 LEU 30 -7.366 10.918 -7.620 245 3HD1 LEU 30 3HD1 LEU 30 -6.791 9.514 -8.536 246 1HD2 LEU 30 1HD2 LEU 30 -5.589 8.679 -5.161 247 2HD2 LEU 30 2HD2 LEU 30 -5.148 8.849 -6.864 248 3HD2 LEU 30 3HD2 LEU 30 -5.555 10.293 -5.905 249 H LYS 31 H LYS 31 -9.140 6.890 -6.446 250 HA LYS 31 HA LYS 31 -10.354 5.554 -4.060 251 1HB LYS 31 1HB LYS 31 -11.779 5.281 -6.023 252 2HB LYS 31 2HB LYS 31 -10.405 4.722 -6.982 253 1HG LYS 31 1HG LYS 31 -11.805 2.838 -6.305 254 2HG LYS 31 2HG LYS 31 -10.196 2.705 -5.605 255 1HD LYS 31 1HD LYS 31 -11.113 3.613 -3.433 256 2HD LYS 31 2HD LYS 31 -12.733 3.595 -4.150 257 1HE LYS 31 1HE LYS 31 -12.767 1.230 -4.279 258 2HE LYS 31 2HE LYS 31 -11.003 1.110 -4.226 259 1HZ LYS 31 1HZ LYS 31 -12.671 1.900 -1.916 260 2HZ LYS 31 2HZ LYS 31 -11.986 0.422 -2.159 261 3HZ LYS 31 3HZ LYS 31 -11.022 1.728 -1.934 262 H VAL 32 H VAL 32 -9.101 4.285 -2.940 263 HA VAL 32 HA VAL 32 -6.889 2.858 -4.281 264 HB VAL 32 HB VAL 32 -6.747 3.962 -1.452 265 1HG1 VAL 32 1HG1 VAL 32 -4.633 2.808 -3.330 266 2HG1 VAL 32 2HG1 VAL 32 -4.319 3.482 -1.722 267 3HG1 VAL 32 3HG1 VAL 32 -5.286 2.021 -1.880 268 1HG2 VAL 32 1HG2 VAL 32 -6.740 5.941 -2.818 269 2HG2 VAL 32 2HG2 VAL 32 -5.072 5.603 -2.374 270 3HG2 VAL 32 3HG2 VAL 32 -5.636 5.205 -3.999 271 H GLU 33 H GLU 33 -6.624 0.690 -3.498 272 HA GLU 33 HA GLU 33 -8.464 -0.218 -1.343 273 1HB GLU 33 1HB GLU 33 -9.412 -0.546 -3.728 274 2HB GLU 33 2HB GLU 33 -8.111 -1.703 -3.981 275 1HG GLU 33 1HG GLU 33 -10.191 -2.835 -3.392 276 2HG GLU 33 2HG GLU 33 -9.007 -3.095 -2.128 277 H SER 34 H SER 34 -7.757 -2.499 -0.613 278 HA SER 34 HA SER 34 -4.774 -2.636 -0.626 279 1HB SER 34 1HB SER 34 -5.189 -3.223 1.852 280 2HB SER 34 2HB SER 34 -5.389 -1.540 1.350 281 HG SER 34 HG SER 34 -7.412 -1.591 1.837 282 H ALA 35 H ALA 35 -3.891 -4.598 -1.014 283 HA ALA 35 HA ALA 35 -5.405 -7.101 -0.552 284 1HB ALA 35 1HB ALA 35 -6.035 -6.411 -2.833 285 2HB ALA 35 2HB ALA 35 -4.319 -6.198 -3.263 286 3HB ALA 35 3HB ALA 35 -4.964 -7.811 -2.909 287 H GLY 36 H GLY 36 -3.716 -8.959 -1.448 288 1HA GLY 36 1HA GLY 36 -0.946 -8.095 -0.923 289 2HA GLY 36 2HA GLY 36 -1.669 -9.252 0.184 290 H LEU 37 H LEU 37 0.718 -9.485 -1.287 291 HA LEU 37 HA LEU 37 0.357 -11.249 -3.570 292 1HB LEU 37 1HB LEU 37 2.235 -9.686 -3.310 293 2HB LEU 37 2HB LEU 37 2.792 -10.532 -1.884 294 HG LEU 37 HG LEU 37 4.007 -10.851 -4.102 295 1HD1 LEU 37 1HD1 LEU 37 4.602 -13.172 -3.686 296 2HD1 LEU 37 2HD1 LEU 37 4.511 -12.241 -2.182 297 3HD1 LEU 37 3HD1 LEU 37 3.222 -13.380 -2.614 298 1HD2 LEU 37 1HD2 LEU 37 2.019 -11.248 -5.535 299 2HD2 LEU 37 2HD2 LEU 37 3.261 -12.495 -5.685 300 3HD2 LEU 37 3HD2 LEU 37 1.794 -12.827 -4.759 301 H GLY 38 H GLY 38 0.709 -11.587 -0.093 302 1HA GLY 38 1HA GLY 38 0.154 -14.503 -0.331 303 2HA GLY 38 2HA GLY 38 1.468 -13.939 0.732 304 H ALA 39 H ALA 39 -1.910 -13.024 -0.126 305 HA ALA 39 HA ALA 39 -2.304 -11.628 2.356 306 1HB ALA 39 1HB ALA 39 -4.325 -12.535 0.261 307 2HB ALA 39 2HB ALA 39 -4.564 -11.244 1.452 308 3HB ALA 39 3HB ALA 39 -3.379 -11.031 0.158 309 H LEU 40 H LEU 40 -4.220 -11.990 3.708 310 HA LEU 40 HA LEU 40 -4.712 -14.879 4.341 311 1HB LEU 40 1HB LEU 40 -4.674 -12.388 6.107 312 2HB LEU 40 2HB LEU 40 -5.115 -14.005 6.652 313 HG LEU 40 HG LEU 40 -2.364 -13.238 5.567 314 1HD1 LEU 40 1HD1 LEU 40 -2.843 -12.076 7.662 315 2HD1 LEU 40 2HD1 LEU 40 -3.302 -13.608 8.440 316 3HD1 LEU 40 3HD1 LEU 40 -1.626 -13.333 7.910 317 1HD2 LEU 40 1HD2 LEU 40 -3.334 -15.771 6.967 318 2HD2 LEU 40 2HD2 LEU 40 -2.810 -15.634 5.273 319 3HD2 LEU 40 3HD2 LEU 40 -1.643 -15.391 6.573 320 H VAL 41 H VAL 41 -6.260 -14.581 2.502 321 HA VAL 41 HA VAL 41 -8.046 -12.603 2.121 322 HB VAL 41 HB VAL 41 -8.762 -15.530 1.717 323 1HG1 VAL 41 1HG1 VAL 41 -9.959 -14.658 -0.274 324 2HG1 VAL 41 2HG1 VAL 41 -10.597 -13.950 1.210 325 3HG1 VAL 41 3HG1 VAL 41 -9.514 -12.997 0.175 326 1HG2 VAL 41 1HG2 VAL 41 -6.543 -15.292 0.795 327 2HG2 VAL 41 2HG2 VAL 41 -7.670 -15.205 -0.552 328 3HG2 VAL 41 3HG2 VAL 41 -6.946 -13.711 0.089 329 H GLY 42 H GLY 42 -9.710 -11.667 3.111 330 1HA GLY 42 1HA GLY 42 -11.741 -11.555 4.190 331 2HA GLY 42 2HA GLY 42 -11.588 -13.231 4.716 332 H LYS 43 H LYS 43 -8.685 -12.224 5.826 333 HA LYS 43 HA LYS 43 -9.660 -11.779 8.522 334 1HB LYS 43 1HB LYS 43 -6.923 -11.662 7.217 335 2HB LYS 43 2HB LYS 43 -7.154 -10.983 8.811 336 1HG LYS 43 1HG LYS 43 -6.302 -13.305 8.855 337 2HG LYS 43 2HG LYS 43 -7.768 -13.025 9.800 338 1HD LYS 43 1HD LYS 43 -9.152 -14.096 8.101 339 2HD LYS 43 2HD LYS 43 -7.770 -14.221 7.010 340 1HE LYS 43 1HE LYS 43 -8.129 -16.387 7.966 341 2HE LYS 43 2HE LYS 43 -6.626 -15.738 8.623 342 1HZ LYS 43 1HZ LYS 43 -7.999 -16.770 10.326 343 2HZ LYS 43 2HZ LYS 43 -7.839 -15.186 10.658 344 3HZ LYS 43 3HZ LYS 43 -9.239 -15.759 10.031 345 H GLY 44 H GLY 44 -9.572 -9.949 9.786 346 1HA GLY 44 1HA GLY 44 -10.037 -7.392 8.488 347 2HA GLY 44 2HA GLY 44 -9.956 -7.716 10.223 348 H ALA 45 H ALA 45 -8.760 -5.526 9.769 349 HA ALA 45 HA ALA 45 -5.973 -5.682 8.929 350 1HB ALA 45 1HB ALA 45 -7.095 -3.546 8.735 351 2HB ALA 45 2HB ALA 45 -7.569 -3.568 10.439 352 3HB ALA 45 3HB ALA 45 -5.856 -3.406 9.991 353 H ASP 46 H ASP 46 -4.161 -5.486 10.375 354 HA ASP 46 HA ASP 46 -4.295 -7.277 12.621 355 1HB ASP 46 1HB ASP 46 -2.307 -7.003 11.192 356 2HB ASP 46 2HB ASP 46 -2.110 -5.341 11.754 357 HA PRO 47 HA PRO 47 -5.717 -4.281 15.567 358 1HB PRO 47 1HB PRO 47 -4.878 -5.357 17.978 359 2HB PRO 47 2HB PRO 47 -6.283 -5.925 17.027 360 1HG PRO 47 1HG PRO 47 -3.464 -7.037 17.037 361 2HG PRO 47 2HG PRO 47 -5.013 -7.936 17.148 362 1HD PRO 47 1HD PRO 47 -3.700 -7.714 14.801 363 2HD PRO 47 2HD PRO 47 -5.482 -7.578 14.844 364 H THR 48 H THR 48 -2.250 -5.019 15.393 365 HA THR 48 HA THR 48 -1.480 -2.840 17.183 366 HB THR 48 HB THR 48 0.390 -3.903 15.089 367 HG1 THR 48 1HG THR 48 -0.561 -5.736 15.553 368 1HG2 THR 48 1HG2 THR 48 1.971 -3.933 16.986 369 2HG2 THR 48 2HG2 THR 48 1.197 -2.347 16.819 370 3HG2 THR 48 3HG2 THR 48 0.664 -3.463 18.096 371 H ALA 49 H ALA 49 -1.811 -3.430 13.648 372 HA ALA 49 HA ALA 49 -0.933 -0.837 12.817 373 1HB ALA 49 1HB ALA 49 -1.958 -1.463 10.680 374 2HB ALA 49 2HB ALA 49 -1.065 -2.841 11.346 375 3HB ALA 49 3HB ALA 49 -2.834 -2.803 11.458 376 H ILE 50 H ILE 50 -4.194 -2.198 13.560 377 HA ILE 50 HA ILE 50 -5.705 0.156 13.100 378 HB ILE 50 HB ILE 50 -6.083 -2.098 15.090 379 1HG1 ILE 50 1HG1 ILE 50 -7.600 -1.536 12.504 380 2HG1 ILE 50 2HG1 ILE 50 -6.201 -2.601 12.567 381 1HG2 ILE 50 1HG2 ILE 50 -8.450 -1.360 15.338 382 2HG2 ILE 50 2HG2 ILE 50 -7.342 -0.145 15.928 383 3HG2 ILE 50 3HG2 ILE 50 -8.102 0.065 14.337 384 1HD1 ILE 50 1HD1 ILE 50 -8.861 -3.044 13.987 385 2HD1 ILE 50 2HD1 ILE 50 -8.214 -3.935 12.614 386 3HD1 ILE 50 3HD1 ILE 50 -7.421 -4.070 14.189 387 H SER 51 H SER 51 -4.024 -0.933 16.143 388 HA SER 51 HA SER 51 -4.868 1.267 17.692 389 1HB SER 51 1HB SER 51 -2.298 -0.355 17.942 390 2HB SER 51 2HB SER 51 -3.018 0.669 19.196 391 HG SER 51 HG SER 51 -4.075 -1.705 18.036 392 H VAL 52 H VAL 52 -1.842 0.896 15.735 393 HA VAL 52 HA VAL 52 -0.821 3.460 16.441 394 HB VAL 52 HB VAL 52 -0.269 1.609 14.090 395 1HG1 VAL 52 1HG1 VAL 52 1.868 2.855 13.821 396 2HG1 VAL 52 2HG1 VAL 52 0.463 3.854 13.430 397 3HG1 VAL 52 3HG1 VAL 52 1.297 4.075 14.981 398 1HG2 VAL 52 1HG2 VAL 52 1.303 2.182 16.655 399 2HG2 VAL 52 2HG2 VAL 52 0.339 0.728 16.371 400 3HG2 VAL 52 3HG2 VAL 52 1.763 1.038 15.379 401 H ALA 53 H ALA 53 -3.159 2.488 13.852 402 HA ALA 53 HA ALA 53 -3.119 5.145 12.664 403 1HB ALA 53 1HB ALA 53 -5.216 2.961 12.461 404 2HB ALA 53 2HB ALA 53 -5.026 4.379 11.405 405 3HB ALA 53 3HB ALA 53 -3.779 3.121 11.412 406 H ALA 54 H ALA 54 -5.120 3.488 15.155 407 HA ALA 54 HA ALA 54 -7.075 5.524 15.418 408 1HB ALA 54 1HB ALA 54 -7.350 3.230 16.305 409 2HB ALA 54 2HB ALA 54 -6.061 3.529 17.496 410 3HB ALA 54 3HB ALA 54 -7.578 4.446 17.578 411 H GLU 55 H GLU 55 -3.795 5.190 16.828 412 HA GLU 55 HA GLU 55 -3.881 7.245 18.678 413 1HB GLU 55 1HB GLU 55 -2.010 5.606 18.098 414 2HB GLU 55 2HB GLU 55 -1.533 6.731 16.818 415 1HG GLU 55 1HG GLU 55 -1.130 8.495 18.490 416 2HG GLU 55 2HG GLU 55 -1.738 7.446 19.774 417 H HIS 56 H HIS 56 -4.203 7.614 15.200 418 HA HIS 56 HA HIS 56 -4.336 10.543 15.626 419 1HB HIS 56 1HB HIS 56 -3.258 11.079 13.701 420 2HB HIS 56 2HB HIS 56 -2.267 9.790 14.374 421 HD1 HIS 56 HD1 HIS 56 -3.787 10.830 11.195 422 HD2 HIS 56 HD2 HIS 56 -2.615 7.275 13.102 423 HE1 HIS 56 HE1 HIS 56 -3.496 9.094 9.354 424 H GLN 57 H GLN 57 -6.329 8.294 15.691 425 HA GLN 57 HA GLN 57 -8.474 7.953 15.120 426 1HB GLN 57 1HB GLN 57 -8.468 10.915 14.403 427 2HB GLN 57 2HB GLN 57 -9.874 9.945 14.825 428 1HG GLN 57 1HG GLN 57 -7.564 10.540 16.737 429 2HG GLN 57 2HG GLN 57 -9.062 11.444 16.644 430 1HE2 GLN 57 2HE2 GLN 57 -7.639 8.302 17.637 431 2HE2 GLN 57 1HE2 GLN 57 -9.034 7.804 18.555 432 H LEU 58 H LEU 58 -6.706 7.144 13.142 433 HA LEU 58 HA LEU 58 -8.459 7.437 10.731 434 1HB LEU 58 1HB LEU 58 -6.124 8.067 10.261 435 2HB LEU 58 2HB LEU 58 -5.555 6.552 10.950 436 HG LEU 58 HG LEU 58 -6.605 5.273 9.145 437 1HD1 LEU 58 1HD1 LEU 58 -7.707 7.980 8.276 438 2HD1 LEU 58 2HD1 LEU 58 -7.552 6.634 7.147 439 3HD1 LEU 58 3HD1 LEU 58 -8.594 6.465 8.553 440 1HD2 LEU 58 1HD2 LEU 58 -5.169 6.002 7.334 441 2HD2 LEU 58 2HD2 LEU 58 -5.045 7.635 8.017 442 3HD2 LEU 58 3HD2 LEU 58 -4.324 6.244 8.859 443 H SER 59 H SER 59 -9.434 5.500 10.069 444 HA SER 59 HA SER 59 -9.240 3.322 12.075 445 1HB SER 59 1HB SER 59 -11.588 4.185 10.351 446 2HB SER 59 2HB SER 59 -11.597 2.961 11.635 447 HG SER 59 HG SER 59 -12.354 5.013 12.351 448 H LEU 60 H LEU 60 -7.971 1.708 11.210 449 HA LEU 60 HA LEU 60 -8.217 0.912 8.385 450 1HB LEU 60 1HB LEU 60 -6.913 -0.732 10.556 451 2HB LEU 60 2HB LEU 60 -6.647 -0.787 8.827 452 HG LEU 60 HG LEU 60 -5.677 1.290 10.807 453 1HD1 LEU 60 1HD1 LEU 60 -4.457 -0.870 10.609 454 2HD1 LEU 60 2HD1 LEU 60 -4.180 -0.544 8.888 455 3HD1 LEU 60 3HD1 LEU 60 -3.474 0.522 10.119 456 1HD2 LEU 60 1HD2 LEU 60 -6.270 2.568 8.810 457 2HD2 LEU 60 2HD2 LEU 60 -4.518 2.418 8.920 458 3HD2 LEU 60 3HD2 LEU 60 -5.417 1.396 7.777 459 H GLU 61 H GLU 61 -10.467 0.818 10.624 460 HA GLU 61 HA GLU 61 -11.109 -2.000 10.927 461 1HB GLU 61 1HB GLU 61 -11.787 -0.230 12.546 462 2HB GLU 61 2HB GLU 61 -12.797 0.521 11.304 463 1HG GLU 61 1HG GLU 61 -14.198 -1.516 11.195 464 2HG GLU 61 2HG GLU 61 -13.141 -2.324 12.355 465 H GLY 62 H GLY 62 -12.656 -3.158 9.691 466 1HA GLY 62 1HA GLY 62 -14.170 -3.528 7.998 467 2HA GLY 62 2HA GLY 62 -14.032 -1.846 7.464 468 H HIS 63 H HIS 63 -10.862 -2.782 7.606 469 HA HIS 63 HA HIS 63 -10.534 -3.294 4.781 470 1HB HIS 63 1HB HIS 63 -8.658 -2.379 5.998 471 2HB HIS 63 2HB HIS 63 -8.769 -3.644 7.228 472 HD1 HIS 63 HD1 HIS 63 -7.828 -3.431 3.424 473 HD2 HIS 63 HD2 HIS 63 -7.360 -5.816 6.875 474 HE1 HIS 63 HE1 HIS 63 -6.390 -5.383 2.763 475 H CYS 64 H CYS 64 -10.444 -5.258 3.750 476 HA CYS 64 HA CYS 64 -10.465 -7.756 5.365 477 1HB CYS 64 1HB CYS 64 -12.137 -7.103 2.903 478 2HB CYS 64 2HB CYS 64 -11.953 -8.725 3.599 479 HG CYS 64 HG CYS 64 -13.121 -5.980 5.051 480 H ALA 65 H ALA 65 -8.652 -8.886 4.820 481 HA ALA 65 HA ALA 65 -6.920 -8.057 2.724 482 1HB ALA 65 1HB ALA 65 -5.958 -9.114 4.593 483 2HB ALA 65 2HB ALA 65 -7.079 -10.483 4.518 484 3HB ALA 65 3HB ALA 65 -5.799 -10.312 3.294 485 H ARG 66 H ARG 66 -6.218 -9.260 0.854 486 HA ARG 66 HA ARG 66 -8.259 -10.957 -0.503 487 1HB ARG 66 1HB ARG 66 -7.490 -8.090 -1.239 488 2HB ARG 66 2HB ARG 66 -8.102 -9.221 -2.447 489 1HG ARG 66 1HG ARG 66 -10.198 -9.446 -1.380 490 2HG ARG 66 2HG ARG 66 -9.652 -8.641 0.093 491 1HD ARG 66 1HD ARG 66 -9.773 -7.191 -2.564 492 2HD ARG 66 2HD ARG 66 -11.137 -7.290 -1.440 493 HE ARG 66 HE ARG 66 -8.498 -6.271 -0.482 494 1HH1 ARG 66 1HH1 ARG 66 -11.917 -5.523 -1.166 495 2HH1 ARG 66 2HH1 ARG 66 -11.880 -4.045 -0.270 496 1HH2 ARG 66 1HH2 ARG 66 -8.478 -4.362 0.654 497 2HH2 ARG 66 2HH2 ARG 66 -9.819 -3.249 0.526 498 H GLN 67 H GLN 67 -7.073 -12.442 -1.689 499 HA GLN 67 HA GLN 67 -4.202 -12.121 -2.032 500 1HB GLN 67 1HB GLN 67 -5.253 -14.322 -1.612 501 2HB GLN 67 2HB GLN 67 -6.203 -14.172 -3.091 502 1HG GLN 67 1HG GLN 67 -4.274 -15.685 -3.350 503 2HG GLN 67 2HG GLN 67 -4.212 -14.326 -4.454 504 1HE2 GLN 67 2HE2 GLN 67 -1.943 -14.346 -4.767 505 2HE2 GLN 67 1HE2 GLN 67 -0.803 -14.025 -3.461 506 H ILE 68 H ILE 68 -3.156 -11.211 -3.639 507 HA ILE 68 HA ILE 68 -4.487 -9.803 -5.693 508 HB ILE 68 HB ILE 68 -2.189 -9.348 -4.760 509 1HG1 ILE 68 1HG1 ILE 68 -1.098 -8.656 -6.870 510 2HG1 ILE 68 2HG1 ILE 68 -2.286 -9.575 -7.795 511 1HG2 ILE 68 1HG2 ILE 68 -1.324 -11.703 -4.868 512 2HG2 ILE 68 2HG2 ILE 68 -1.208 -11.545 -6.629 513 3HG2 ILE 68 3HG2 ILE 68 -0.240 -10.493 -5.588 514 1HD1 ILE 68 1HD1 ILE 68 -2.763 -7.109 -7.633 515 2HD1 ILE 68 2HD1 ILE 68 -4.078 -8.109 -7.000 516 3HD1 ILE 68 3HD1 ILE 68 -2.962 -7.302 -5.878 517 H SER 69 H SER 69 -4.795 -10.274 -7.853 518 HA SER 69 HA SER 69 -4.063 -12.932 -8.901 519 1HB SER 69 1HB SER 69 -6.320 -13.366 -9.663 520 2HB SER 69 2HB SER 69 -6.395 -13.034 -7.917 521 HG SER 69 HG SER 69 -8.004 -11.902 -8.999 522 H ARG 70 H ARG 70 -4.291 -12.853 -11.387 523 HA ARG 70 HA ARG 70 -3.228 -10.393 -12.401 524 1HB ARG 70 1HB ARG 70 -2.850 -12.622 -13.413 525 2HB ARG 70 2HB ARG 70 -4.540 -12.684 -13.937 526 1HG ARG 70 1HG ARG 70 -4.214 -10.808 -15.445 527 2HG ARG 70 2HG ARG 70 -2.610 -10.469 -14.767 528 1HD ARG 70 1HD ARG 70 -1.774 -12.631 -15.580 529 2HD ARG 70 2HD ARG 70 -3.372 -13.019 -16.248 530 HE ARG 70 HE ARG 70 -2.827 -10.635 -17.459 531 1HH1 ARG 70 1HH2 ARG 70 -0.917 -13.638 -17.254 532 2HH1 ARG 70 2HH2 ARG 70 -0.173 -13.402 -18.793 533 1HH2 ARG 70 1HH1 ARG 70 -1.951 -10.356 -19.386 534 2HH2 ARG 70 2HH1 ARG 70 -0.761 -11.442 -20.080 535 H ARG 71 H ARG 71 -6.579 -11.649 -12.167 536 HA ARG 71 HA ARG 71 -7.815 -9.575 -13.695 537 1HB ARG 71 1HB ARG 71 -8.868 -11.198 -11.329 538 2HB ARG 71 2HB ARG 71 -9.849 -10.126 -12.337 539 1HG ARG 71 1HG ARG 71 -9.301 -11.482 -14.342 540 2HG ARG 71 2HG ARG 71 -8.346 -12.588 -13.333 541 1HD ARG 71 1HD ARG 71 -10.365 -13.114 -11.997 542 2HD ARG 71 2HD ARG 71 -11.322 -12.017 -13.015 543 HE ARG 71 HE ARG 71 -10.015 -13.893 -14.691 544 1HH1 ARG 71 1HH2 ARG 71 -12.613 -13.833 -12.272 545 2HH1 ARG 71 2HH2 ARG 71 -13.462 -15.177 -12.938 546 1HH2 ARG 71 1HH1 ARG 71 -11.144 -15.688 -15.583 547 2HH2 ARG 71 2HH1 ARG 71 -12.603 -16.253 -14.864 548 H LEU 72 H LEU 72 -7.081 -9.749 -10.122 549 HA LEU 72 HA LEU 72 -8.036 -7.118 -9.609 550 1HB LEU 72 1HB LEU 72 -6.191 -9.016 -8.186 551 2HB LEU 72 2HB LEU 72 -5.991 -7.291 -7.855 552 HG LEU 72 HG LEU 72 -8.387 -7.083 -7.361 553 1HD1 LEU 72 1HD1 LEU 72 -8.411 -10.129 -7.330 554 2HD1 LEU 72 2HD1 LEU 72 -9.729 -9.064 -6.805 555 3HD1 LEU 72 3HD1 LEU 72 -9.261 -9.105 -8.509 556 1HD2 LEU 72 1HD2 LEU 72 -6.859 -9.071 -5.619 557 2HD2 LEU 72 2HD2 LEU 72 -6.697 -7.301 -5.571 558 3HD2 LEU 72 3HD2 LEU 72 -8.220 -8.059 -5.094 559 H CYS 73 H CYS 73 -4.730 -8.242 -10.611 560 HA CYS 73 HA CYS 73 -3.558 -5.703 -10.443 561 1HB CYS 73 1HB CYS 73 -2.956 -7.903 -12.481 562 2HB CYS 73 2HB CYS 73 -1.922 -6.506 -12.144 563 HG CYS 73 HG CYS 73 -2.882 -8.895 -10.059 564 H ARG 74 H ARG 74 -5.399 -7.132 -13.217 565 HA ARG 74 HA ARG 74 -4.996 -4.903 -14.958 566 1HB ARG 74 1HB ARG 74 -5.731 -7.239 -15.550 567 2HB ARG 74 2HB ARG 74 -7.317 -6.885 -14.853 568 1HG ARG 74 1HG ARG 74 -7.640 -5.075 -16.535 569 2HG ARG 74 2HG ARG 74 -6.046 -5.428 -17.223 570 1HD ARG 74 1HD ARG 74 -8.385 -7.376 -17.050 571 2HD ARG 74 2HD ARG 74 -7.950 -6.445 -18.489 572 HE ARG 74 HE ARG 74 -5.664 -7.609 -18.288 573 1HH1 ARG 74 1HH2 ARG 74 -8.777 -9.207 -17.614 574 2HH1 ARG 74 2HH2 ARG 74 -8.183 -10.791 -17.947 575 1HH2 ARG 74 1HH1 ARG 74 -4.868 -9.674 -18.659 576 2HH2 ARG 74 2HH1 ARG 74 -5.915 -11.064 -18.603 577 H ASN 75 H ASN 75 -7.250 -5.388 -12.264 578 HA ASN 75 HA ASN 75 -9.262 -3.620 -13.201 579 1HB ASN 75 1HB ASN 75 -9.648 -5.463 -11.594 580 2HB ASN 75 2HB ASN 75 -8.707 -4.601 -10.377 581 1HD2 ASN 75 2HD2 ASN 75 -9.845 -3.186 -9.032 582 2HD2 ASN 75 1HD2 ASN 75 -11.483 -2.657 -9.343 583 H TYR 76 H TYR 76 -6.233 -2.857 -11.578 584 HA TYR 76 HA TYR 76 -7.311 -0.136 -10.935 585 1HB TYR 76 1HB TYR 76 -5.148 -1.537 -9.360 586 2HB TYR 76 2HB TYR 76 -5.861 0.038 -9.045 587 HD1 TYR 76 HD1 TYR 76 -6.556 -3.602 -9.063 588 HD2 TYR 76 HD2 TYR 76 -7.774 0.235 -7.617 589 HE1 TYR 76 HE1 TYR 76 -8.248 -4.708 -7.626 590 HE2 TYR 76 HE2 TYR 76 -9.500 -0.814 -6.209 591 HH TYR 76 HH TYR 76 -10.528 -2.837 -5.575 592 H ASP 77 H ASP 77 -5.822 1.621 -11.243 593 HA ASP 77 HA ASP 77 -4.428 1.146 -13.766 594 1HB ASP 77 1HB ASP 77 -6.037 3.027 -13.365 595 2HB ASP 77 2HB ASP 77 -4.868 3.739 -12.246 596 H LEU 78 H LEU 78 -3.488 1.507 -10.444 597 HA LEU 78 HA LEU 78 -0.669 1.198 -11.225 598 1HB LEU 78 1HB LEU 78 -1.678 3.258 -9.212 599 2HB LEU 78 2HB LEU 78 -0.061 2.576 -9.148 600 HG LEU 78 HG LEU 78 -1.170 4.300 -11.379 601 1HD1 LEU 78 1HD1 LEU 78 1.030 4.715 -9.296 602 2HD1 LEU 78 2HD1 LEU 78 0.596 5.862 -10.577 603 3HD1 LEU 78 3HD1 LEU 78 -0.568 5.486 -9.299 604 1HD2 LEU 78 1HD2 LEU 78 1.509 2.868 -11.145 605 2HD2 LEU 78 2HD2 LEU 78 0.323 2.727 -12.454 606 3HD2 LEU 78 3HD2 LEU 78 1.202 4.235 -12.253 607 H ILE 79 H ILE 79 0.451 -0.087 -9.785 608 HA ILE 79 HA ILE 79 -1.151 -1.306 -7.582 609 HB ILE 79 HB ILE 79 0.831 -2.803 -9.329 610 1HG1 ILE 79 1HG1 ILE 79 -1.053 -2.226 -10.800 611 2HG1 ILE 79 2HG1 ILE 79 -0.949 -3.943 -10.476 612 1HG2 ILE 79 1HG2 ILE 79 -1.245 -3.696 -7.281 613 2HG2 ILE 79 2HG2 ILE 79 -0.236 -4.785 -8.256 614 3HG2 ILE 79 3HG2 ILE 79 0.511 -3.694 -7.072 615 1HD1 ILE 79 1HD1 ILE 79 -2.861 -3.881 -8.993 616 2HD1 ILE 79 2HD1 ILE 79 -2.885 -2.106 -9.009 617 3HD1 ILE 79 3HD1 ILE 79 -3.284 -3.004 -10.470 618 H LEU 80 H LEU 80 -0.261 -0.297 -5.892 619 HA LEU 80 HA LEU 80 2.601 0.418 -5.796 620 1HB LEU 80 1HB LEU 80 0.157 0.837 -4.057 621 2HB LEU 80 2HB LEU 80 1.758 1.050 -3.374 622 HG LEU 80 HG LEU 80 2.278 2.905 -4.672 623 1HD1 LEU 80 1HD1 LEU 80 0.896 3.809 -6.538 624 2HD1 LEU 80 2HD1 LEU 80 1.656 2.266 -6.930 625 3HD1 LEU 80 3HD1 LEU 80 -0.070 2.316 -6.514 626 1HD2 LEU 80 1HD2 LEU 80 0.503 3.228 -2.911 627 2HD2 LEU 80 2HD2 LEU 80 0.449 4.455 -4.197 628 3HD2 LEU 80 3HD2 LEU 80 -0.722 3.115 -4.167 629 H THR 81 H THR 81 4.093 -0.669 -4.529 630 HA THR 81 HA THR 81 3.153 -2.656 -2.608 631 HB THR 81 HB THR 81 3.297 -3.887 -4.749 632 HG1 THR 81 1HG THR 81 3.573 -4.906 -2.817 633 1HG2 THR 81 1HG2 THR 81 6.288 -3.334 -4.601 634 2HG2 THR 81 2HG2 THR 81 5.463 -4.443 -5.721 635 3HG2 THR 81 3HG2 THR 81 5.176 -2.699 -5.836 636 H MET 82 H MET 82 5.406 -3.568 -1.468 637 HA MET 82 HA MET 82 6.586 -0.961 -0.658 638 1HB MET 82 1HB MET 82 6.108 -3.521 0.897 639 2HB MET 82 2HB MET 82 6.721 -2.010 1.553 640 1HG MET 82 1HG MET 82 3.962 -2.562 0.441 641 2HG MET 82 2HG MET 82 4.392 -2.158 2.102 642 1HE MET 82 1HE MET 82 2.003 -0.862 0.817 643 2HE MET 82 2HE MET 82 2.588 -0.198 2.360 644 3HE MET 82 3HE MET 82 2.228 0.899 1.009 645 H GLU 83 H GLU 83 7.689 -4.003 -2.007 646 HA GLU 83 HA GLU 83 10.438 -3.148 -1.472 647 1HB GLU 83 1HB GLU 83 11.086 -5.305 -0.428 648 2HB GLU 83 2HB GLU 83 9.996 -4.331 0.545 649 1HG GLU 83 1HG GLU 83 8.082 -5.797 -0.355 650 2HG GLU 83 2HG GLU 83 9.342 -6.871 -0.970 651 H LYS 84 H LYS 84 12.064 -4.392 -2.652 652 HA LYS 84 HA LYS 84 11.340 -4.340 -5.363 653 1HB LYS 84 1HB LYS 84 13.764 -5.527 -3.941 654 2HB LYS 84 2HB LYS 84 13.568 -5.588 -5.682 655 1HG LYS 84 1HG LYS 84 14.978 -3.801 -5.268 656 2HG LYS 84 2HG LYS 84 13.447 -3.108 -5.788 657 1HD LYS 84 1HD LYS 84 12.968 -2.275 -3.579 658 2HD LYS 84 2HD LYS 84 14.240 -3.295 -2.846 659 1HE LYS 84 1HE LYS 84 15.974 -2.091 -4.097 660 2HE LYS 84 2HE LYS 84 14.762 -1.071 -4.874 661 1HZ LYS 84 1HZ LYS 84 14.355 0.031 -2.829 662 2HZ LYS 84 2HZ LYS 84 15.140 -1.093 -1.917 663 3HZ LYS 84 3HZ LYS 84 15.958 -0.102 -2.922 664 H ARG 85 H ARG 85 11.827 -7.283 -3.302 665 HA ARG 85 HA ARG 85 11.386 -9.078 -5.447 666 1HB ARG 85 1HB ARG 85 11.005 -10.804 -3.747 667 2HB ARG 85 2HB ARG 85 12.442 -9.837 -3.417 668 1HG ARG 85 1HG ARG 85 11.203 -8.545 -1.706 669 2HG ARG 85 2HG ARG 85 9.739 -9.486 -2.043 670 1HD ARG 85 1HD ARG 85 10.829 -11.539 -1.285 671 2HD ARG 85 2HD ARG 85 12.360 -10.663 -1.035 672 HE ARG 85 HE ARG 85 10.471 -9.228 0.413 673 1HH1 ARG 85 1HH2 ARG 85 11.738 -12.552 0.652 674 2HH1 ARG 85 2HH2 ARG 85 11.410 -12.658 2.343 675 1HH2 ARG 85 1HH1 ARG 85 10.086 -9.325 2.451 676 2HH2 ARG 85 2HH1 ARG 85 10.422 -10.728 3.456 677 H HIS 86 H HIS 86 8.998 -7.206 -3.599 678 HA HIS 86 HA HIS 86 6.771 -8.949 -4.388 679 1HB HIS 86 1HB HIS 86 6.768 -6.053 -3.456 680 2HB HIS 86 2HB HIS 86 5.358 -7.048 -3.791 681 HD1 HIS 86 HD1 HIS 86 7.585 -9.255 -1.878 682 HD2 HIS 86 HD2 HIS 86 4.958 -6.060 -1.144 683 HE1 HIS 86 HE1 HIS 86 7.030 -9.334 0.605 684 H ILE 87 H ILE 87 8.390 -5.945 -5.628 685 HA ILE 87 HA ILE 87 6.590 -5.466 -7.751 686 HB ILE 87 HB ILE 87 9.601 -4.976 -7.708 687 1HG1 ILE 87 1HG1 ILE 87 7.327 -3.069 -7.019 688 2HG1 ILE 87 2HG1 ILE 87 8.346 -3.881 -5.826 689 1HG2 ILE 87 1HG2 ILE 87 9.202 -3.309 -9.463 690 2HG2 ILE 87 2HG2 ILE 87 8.671 -4.886 -10.007 691 3HG2 ILE 87 3HG2 ILE 87 7.469 -3.697 -9.472 692 1HD1 ILE 87 1HD1 ILE 87 10.348 -2.733 -6.831 693 2HD1 ILE 87 2HD1 ILE 87 9.217 -1.766 -7.816 694 3HD1 ILE 87 3HD1 ILE 87 9.155 -1.678 -6.053 695 H GLU 88 H GLU 88 9.557 -7.536 -7.617 696 HA GLU 88 HA GLU 88 9.411 -8.402 -10.306 697 1HB GLU 88 1HB GLU 88 10.543 -9.783 -7.833 698 2HB GLU 88 2HB GLU 88 10.768 -10.363 -9.488 699 1HG GLU 88 1HG GLU 88 11.841 -8.207 -10.104 700 2HG GLU 88 2HG GLU 88 11.678 -7.648 -8.440 701 H ARG 89 H ARG 89 7.978 -9.918 -7.346 702 HA ARG 89 HA ARG 89 6.874 -12.141 -8.781 703 1HB ARG 89 1HB ARG 89 6.177 -10.887 -6.092 704 2HB ARG 89 2HB ARG 89 5.472 -12.398 -6.690 705 1HG ARG 89 1HG ARG 89 7.635 -13.490 -6.774 706 2HG ARG 89 2HG ARG 89 8.482 -11.987 -6.405 707 1HD ARG 89 1HD ARG 89 7.295 -11.913 -4.190 708 2HD ARG 89 2HD ARG 89 6.630 -13.525 -4.559 709 HE ARG 89 HE ARG 89 9.436 -13.614 -4.901 710 1HH1 ARG 89 1HH2 ARG 89 7.091 -13.312 -2.248 711 2HH1 ARG 89 2HH2 ARG 89 8.131 -14.007 -1.064 712 1HH2 ARG 89 1HH1 ARG 89 10.814 -14.556 -3.324 713 2HH2 ARG 89 2HH1 ARG 89 10.286 -14.752 -1.698 714 H LEU 90 H LEU 90 5.516 -8.895 -8.027 715 HA LEU 90 HA LEU 90 2.889 -9.512 -9.038 716 1HB LEU 90 1HB LEU 90 4.413 -7.029 -8.305 717 2HB LEU 90 2HB LEU 90 3.072 -6.851 -9.428 718 HG LEU 90 HG LEU 90 1.489 -7.804 -7.905 719 1HD1 LEU 90 1HD1 LEU 90 2.929 -9.428 -6.669 720 2HD1 LEU 90 2HD1 LEU 90 3.714 -8.071 -5.838 721 3HD1 LEU 90 3HD1 LEU 90 1.992 -8.393 -5.590 722 1HD2 LEU 90 1HD2 LEU 90 1.468 -6.006 -6.275 723 2HD2 LEU 90 2HD2 LEU 90 3.213 -5.729 -6.485 724 3HD2 LEU 90 3HD2 LEU 90 2.084 -5.385 -7.811 725 H CYS 91 H CYS 91 5.879 -8.232 -10.609 726 HA CYS 91 HA CYS 91 4.657 -7.792 -13.158 727 1HB CYS 91 1HB CYS 91 7.536 -8.523 -12.446 728 2HB CYS 91 2HB CYS 91 6.980 -7.979 -14.037 729 HG CYS 91 HG CYS 91 6.809 -6.421 -11.123 730 H GLU 92 H GLU 92 6.113 -10.736 -11.656 731 HA GLU 92 HA GLU 92 5.801 -12.373 -13.960 732 1HB GLU 92 1HB GLU 92 7.267 -12.857 -12.012 733 2HB GLU 92 2HB GLU 92 5.839 -13.187 -11.023 734 1HG GLU 92 1HG GLU 92 5.215 -15.054 -12.514 735 2HG GLU 92 2HG GLU 92 6.575 -14.681 -13.576 736 H MET 93 H MET 93 3.600 -11.720 -11.162 737 HA MET 93 HA MET 93 1.549 -13.524 -11.937 738 1HB MET 93 1HB MET 93 1.538 -10.954 -10.309 739 2HB MET 93 2HB MET 93 0.074 -11.882 -10.581 740 1HG MET 93 1HG MET 93 2.591 -13.030 -9.328 741 2HG MET 93 2HG MET 93 1.245 -12.369 -8.411 742 1HE MET 93 1HE MET 93 -1.053 -13.507 -8.040 743 2HE MET 93 2HE MET 93 -1.407 -13.428 -9.783 744 3HE MET 93 3HE MET 93 -1.614 -14.954 -8.903 745 H ALA 94 H ALA 94 2.135 -10.118 -12.941 746 HA ALA 94 HA ALA 94 0.066 -10.462 -15.060 747 1HB ALA 94 1HB ALA 94 0.156 -8.177 -13.045 748 2HB ALA 94 2HB ALA 94 -0.930 -8.296 -14.451 749 3HB ALA 94 3HB ALA 94 -1.065 -9.464 -13.121 750 HA PRO 95 HA PRO 95 4.067 -8.702 -16.644 751 1HB PRO 95 1HB PRO 95 2.919 -10.034 -19.099 752 2HB PRO 95 2HB PRO 95 4.625 -9.933 -18.562 753 1HG PRO 95 1HG PRO 95 3.202 -12.207 -18.164 754 2HG PRO 95 2HG PRO 95 4.266 -11.575 -16.865 755 1HD PRO 95 1HD PRO 95 1.266 -11.297 -17.136 756 2HD PRO 95 2HD PRO 95 2.243 -11.686 -15.691 757 H GLU 96 H GLU 96 0.774 -8.649 -18.124 758 HA GLU 96 HA GLU 96 1.182 -6.390 -19.773 759 1HB GLU 96 1HB GLU 96 -1.211 -6.323 -19.978 760 2HB GLU 96 2HB GLU 96 -0.703 -8.012 -19.920 761 1HG GLU 96 1HG GLU 96 -1.293 -8.007 -17.435 762 2HG GLU 96 2HG GLU 96 -1.964 -6.388 -17.675 763 H MET 97 H MET 97 0.943 -6.534 -16.315 764 HA MET 97 HA MET 97 0.307 -3.639 -16.145 765 1HB MET 97 1HB MET 97 0.104 -5.785 -14.008 766 2HB MET 97 2HB MET 97 -0.266 -4.077 -13.795 767 1HG MET 97 1HG MET 97 -1.733 -6.077 -15.521 768 2HG MET 97 2HG MET 97 -2.322 -5.261 -14.092 769 1HE MET 97 1HE MET 97 -2.963 -1.584 -15.369 770 2HE MET 97 2HE MET 97 -3.166 -2.707 -14.015 771 3HE MET 97 3HE MET 97 -1.538 -2.206 -14.511 772 H ARG 98 H ARG 98 3.045 -5.515 -16.355 773 HA ARG 98 HA ARG 98 4.420 -5.104 -14.000 774 1HB ARG 98 1HB ARG 98 6.428 -5.642 -15.162 775 2HB ARG 98 2HB ARG 98 5.110 -6.601 -15.816 776 1HG ARG 98 1HG ARG 98 5.019 -4.836 -17.729 777 2HG ARG 98 2HG ARG 98 6.560 -4.246 -17.100 778 1HD ARG 98 1HD ARG 98 5.962 -7.073 -18.056 779 2HD ARG 98 2HD ARG 98 6.870 -5.848 -18.954 780 HE ARG 98 HE ARG 98 8.299 -5.986 -16.658 781 1HH1 ARG 98 1HH1 ARG 98 7.232 -8.490 -18.935 782 2HH1 ARG 98 2HH1 ARG 98 8.506 -9.586 -18.551 783 1HH2 ARG 98 1HH2 ARG 98 10.003 -7.443 -16.144 784 2HH2 ARG 98 2HH2 ARG 98 10.126 -8.964 -16.941 785 H GLY 99 H GLY 99 4.284 -2.744 -16.704 786 1HA GLY 99 1HA GLY 99 6.166 -0.920 -15.547 787 2HA GLY 99 2HA GLY 99 4.983 -0.567 -16.817 788 H LYS 100 H LYS 100 2.859 -1.607 -14.699 789 HA LYS 100 HA LYS 100 2.367 1.069 -13.518 790 1HB LYS 100 1HB LYS 100 0.546 -1.371 -13.749 791 2HB LYS 100 2HB LYS 100 0.113 0.184 -13.088 792 1HG LYS 100 1HG LYS 100 -0.854 0.099 -15.204 793 2HG LYS 100 2HG LYS 100 0.473 1.249 -15.331 794 1HD LYS 100 1HD LYS 100 1.737 -0.178 -16.723 795 2HD LYS 100 2HD LYS 100 0.916 -1.631 -16.133 796 1HE LYS 100 1HE LYS 100 -1.188 -0.865 -17.274 797 2HE LYS 100 2HE LYS 100 -0.283 0.493 -17.951 798 1HZ LYS 100 1HZ LYS 100 1.143 -1.140 -19.087 799 2HZ LYS 100 2HZ LYS 100 0.247 -2.392 -18.503 800 3HZ LYS 100 3HZ LYS 100 -0.412 -1.307 -19.522 801 H VAL 101 H VAL 101 3.868 -1.859 -12.598 802 HA VAL 101 HA VAL 101 2.928 -1.755 -9.826 803 HB VAL 101 HB VAL 101 5.233 -3.369 -10.992 804 1HG1 VAL 101 1HG1 VAL 101 4.867 -4.770 -8.975 805 2HG1 VAL 101 2HG1 VAL 101 5.314 -3.116 -8.538 806 3HG1 VAL 101 3HG1 VAL 101 3.625 -3.632 -8.407 807 1HG2 VAL 101 1HG2 VAL 101 3.132 -4.055 -12.112 808 2HG2 VAL 101 2HG2 VAL 101 3.721 -5.299 -11.028 809 3HG2 VAL 101 3HG2 VAL 101 2.351 -4.274 -10.535 810 H MET 102 H MET 102 3.978 -0.437 -8.281 811 HA MET 102 HA MET 102 6.746 0.463 -8.840 812 1HB MET 102 1HB MET 102 4.350 2.326 -8.547 813 2HB MET 102 2HB MET 102 5.995 2.832 -8.138 814 1HG MET 102 1HG MET 102 6.733 2.080 -10.420 815 2HG MET 102 2HG MET 102 5.034 1.888 -10.853 816 1HE MET 102 1HE MET 102 3.358 4.094 -10.004 817 2HE MET 102 2HE MET 102 3.666 5.463 -11.097 818 3HE MET 102 3HE MET 102 3.566 3.813 -11.748 819 H LEU 103 H LEU 103 7.890 1.222 -7.071 820 HA LEU 103 HA LEU 103 7.190 0.050 -4.536 821 1HB LEU 103 1HB LEU 103 9.562 0.511 -5.567 822 2HB LEU 103 2HB LEU 103 9.303 2.177 -5.088 823 HG LEU 103 HG LEU 103 8.830 1.196 -2.694 824 1HD1 LEU 103 1HD1 LEU 103 10.024 -0.918 -2.239 825 2HD1 LEU 103 2HD1 LEU 103 8.679 -1.190 -3.361 826 3HD1 LEU 103 3HD1 LEU 103 10.349 -1.132 -3.967 827 1HD2 LEU 103 1HD2 LEU 103 11.609 1.110 -3.931 828 2HD2 LEU 103 2HD2 LEU 103 10.787 2.528 -3.236 829 3HD2 LEU 103 3HD2 LEU 103 11.248 1.179 -2.193 830 H PHE 104 H PHE 104 6.008 1.032 -2.881 831 HA PHE 104 HA PHE 104 4.863 3.585 -3.246 832 1HB PHE 104 1HB PHE 104 4.068 1.633 -1.792 833 2HB PHE 104 2HB PHE 104 5.255 2.151 -0.597 834 HD1 PHE 104 HD1 PHE 104 3.991 2.990 1.228 835 HD2 PHE 104 HD2 PHE 104 2.868 4.113 -2.777 836 HE1 PHE 104 HE1 PHE 104 2.141 4.396 2.123 837 HE2 PHE 104 HE2 PHE 104 1.091 5.542 -1.893 838 HZ PHE 104 HZ PHE 104 0.615 5.589 0.531 839 H GLY 105 H GLY 105 7.786 2.562 -1.454 840 1HA GLY 105 1HA GLY 105 8.283 5.192 -0.333 841 2HA GLY 105 2HA GLY 105 9.343 3.781 -0.271 842 H HIS 106 H HIS 106 8.286 4.671 -3.482 843 HA HIS 106 HA HIS 106 10.808 4.896 -4.581 844 1HB HIS 106 1HB HIS 106 8.957 4.519 -5.953 845 2HB HIS 106 2HB HIS 106 8.124 5.979 -5.404 846 HD1 HIS 106 HD1 HIS 106 11.138 5.005 -7.697 847 HD2 HIS 106 HD2 HIS 106 8.527 8.192 -6.738 848 HE1 HIS 106 HE1 HIS 106 11.564 6.831 -9.406 849 H TRP 107 H TRP 107 8.771 7.604 -3.364 850 HA TRP 107 HA TRP 107 10.417 9.683 -4.262 851 1HB TRP 107 1HB TRP 107 8.740 9.753 -1.736 852 2HB TRP 107 2HB TRP 107 9.131 11.089 -2.807 853 HD1 TRP 107 HD1 TRP 107 6.632 8.365 -2.224 854 HE1 TRP 107 HE1 TRP 107 4.760 8.439 -3.930 855 HE3 TRP 107 HE3 TRP 107 8.667 11.736 -5.519 856 HZ2 TRP 107 HZ2 TRP 107 4.161 9.802 -6.412 857 HZ3 TRP 107 HZ3 TRP 107 7.400 12.406 -7.546 858 HH2 TRP 107 HH2 TRP 107 5.137 11.453 -7.990 859 H ASP 108 H ASP 108 10.804 7.600 -1.431 860 HA ASP 108 HA ASP 108 12.933 9.377 -0.313 861 1HB ASP 108 1HB ASP 108 11.208 8.626 1.279 862 2HB ASP 108 2HB ASP 108 11.555 6.941 0.878 863 H ASN 109 H ASN 109 13.878 8.806 -2.502 864 HA ASN 109 HA ASN 109 15.460 7.703 -3.711 865 1HB ASN 109 1HB ASN 109 16.679 8.707 -1.810 866 2HB ASN 109 2HB ASN 109 16.504 7.198 -0.912 867 1HD2 ASN 109 2HD2 ASN 109 18.655 6.699 -0.724 868 2HD2 ASN 109 1HD2 ASN 109 19.712 6.343 -2.072 869 H GLU 110 H GLU 110 13.208 6.129 -3.475 870 HA GLU 110 HA GLU 110 12.369 4.068 -3.557 871 1HB GLU 110 1HB GLU 110 14.983 3.306 -4.888 872 2HB GLU 110 2HB GLU 110 13.391 2.556 -5.095 873 1HG GLU 110 1HG GLU 110 12.606 4.942 -5.787 874 2HG GLU 110 2HG GLU 110 14.316 5.294 -6.006 875 H CYS 111 H CYS 111 13.432 4.562 -1.028 876 HA CYS 111 HA CYS 111 14.722 2.153 -0.033 877 1HB CYS 111 1HB CYS 111 13.228 4.454 1.268 878 2HB CYS 111 2HB CYS 111 13.928 3.099 2.190 879 HG CYS 111 HG CYS 111 15.291 5.360 0.263 880 H GLU 112 H GLU 112 13.748 0.215 0.122 881 HA GLU 112 HA GLU 112 10.920 -0.187 -0.049 882 1HB GLU 112 1HB GLU 112 11.391 -2.475 0.544 883 2HB GLU 112 2HB GLU 112 12.501 -1.931 -0.697 884 1HG GLU 112 1HG GLU 112 13.129 -2.266 2.274 885 2HG GLU 112 2HG GLU 112 13.500 -3.426 1.010 886 H ILE 113 H ILE 113 9.422 -0.795 1.576 887 HA ILE 113 HA ILE 113 9.838 0.574 4.117 888 HB ILE 113 HB ILE 113 7.534 -1.262 3.452 889 1HG1 ILE 113 1HG1 ILE 113 7.634 0.228 1.505 890 2HG1 ILE 113 2HG1 ILE 113 6.226 0.484 2.507 891 1HG2 ILE 113 1HG2 ILE 113 6.240 0.280 4.891 892 2HG2 ILE 113 2HG2 ILE 113 7.569 -0.503 5.737 893 3HG2 ILE 113 3HG2 ILE 113 7.720 1.193 5.234 894 1HD1 ILE 113 1HD1 ILE 113 7.096 2.575 1.646 895 2HD1 ILE 113 2HD1 ILE 113 7.141 2.548 3.408 896 3HD1 ILE 113 3HD1 ILE 113 8.650 2.308 2.480 897 HA PRO 114 HA PRO 114 11.204 -3.245 6.240 898 1HB PRO 114 1HB PRO 114 9.927 -2.008 8.659 899 2HB PRO 114 2HB PRO 114 11.566 -2.687 8.475 900 1HG PRO 114 1HG PRO 114 11.147 0.012 8.547 901 2HG PRO 114 2HG PRO 114 12.370 -0.713 7.456 902 1HD PRO 114 1HD PRO 114 9.588 0.246 6.778 903 2HD PRO 114 2HD PRO 114 11.117 0.433 5.866 904 H ASP 115 H ASP 115 10.034 -4.925 7.765 905 HA ASP 115 HA ASP 115 7.182 -5.195 6.889 906 1HB ASP 115 1HB ASP 115 8.370 -6.891 5.822 907 2HB ASP 115 2HB ASP 115 9.412 -7.183 7.222 908 HA PRO 116 HA PRO 116 6.895 -4.879 11.398 909 1HB PRO 116 1HB PRO 116 4.275 -4.285 11.678 910 2HB PRO 116 2HB PRO 116 5.413 -3.121 10.940 911 1HG PRO 116 1HG PRO 116 3.553 -5.069 9.531 912 2HG PRO 116 2HG PRO 116 3.745 -3.317 9.220 913 1HD PRO 116 1HD PRO 116 5.062 -5.263 7.777 914 2HD PRO 116 2HD PRO 116 5.790 -3.663 8.086 915 H TYR 117 H TYR 117 5.314 -7.275 9.351 916 HA TYR 117 HA TYR 117 3.506 -8.390 11.153 917 1HB TYR 117 1HB TYR 117 3.786 -8.758 8.639 918 2HB TYR 117 2HB TYR 117 5.066 -9.901 9.022 919 HD1 TYR 117 HD1 TYR 117 4.506 -12.057 10.202 920 HD2 TYR 117 HD2 TYR 117 1.470 -9.242 9.003 921 HE1 TYR 117 HE1 TYR 117 2.784 -13.808 10.501 922 HE2 TYR 117 HE2 TYR 117 -0.273 -10.997 9.282 923 HH TYR 117 HH TYR 117 0.518 -14.330 10.380 924 H ARG 118 H ARG 118 3.635 -9.933 12.765 925 HA ARG 118 HA ARG 118 4.449 -11.262 14.336 926 1HB ARG 118 1HB ARG 118 4.796 -12.719 12.429 927 2HB ARG 118 2HB ARG 118 6.409 -12.077 12.150 928 1HG ARG 118 1HG ARG 118 6.366 -14.335 13.141 929 2HG ARG 118 2HG ARG 118 7.281 -13.177 14.085 930 1HD ARG 118 1HD ARG 118 5.200 -12.905 15.572 931 2HD ARG 118 2HD ARG 118 4.462 -14.203 14.632 932 HE ARG 118 HE ARG 118 5.720 -15.732 15.788 933 1HH1 ARG 118 1HH2 ARG 118 7.249 -12.539 16.262 934 2HH1 ARG 118 2HH2 ARG 118 8.274 -13.084 17.545 935 1HH2 ARG 118 1HH1 ARG 118 7.131 -16.443 17.455 936 2HH2 ARG 118 2HH1 ARG 118 8.228 -15.351 18.208 937 H LYS 119 H LYS 119 5.812 -8.446 13.879 938 HA LYS 119 HA LYS 119 8.010 -8.932 15.860 939 1HB LYS 119 1HB LYS 119 7.960 -6.974 13.534 940 2HB LYS 119 2HB LYS 119 9.206 -7.026 14.789 941 1HG LYS 119 1HG LYS 119 9.844 -9.306 14.161 942 2HG LYS 119 2HG LYS 119 8.556 -9.377 12.973 943 1HD LYS 119 1HD LYS 119 9.914 -7.093 12.155 944 2HD LYS 119 2HD LYS 119 11.217 -8.074 12.818 945 1HE LYS 119 1HE LYS 119 11.033 -8.580 10.471 946 2HE LYS 119 2HE LYS 119 10.430 -9.993 11.352 947 1HZ LYS 119 1HZ LYS 119 8.952 -9.285 9.470 948 2HZ LYS 119 2HZ LYS 119 8.169 -9.226 10.908 949 3HZ LYS 119 3HZ LYS 119 8.733 -7.855 10.206 950 H SER 120 H SER 120 8.612 -6.639 16.829 951 HA SER 120 HA SER 120 6.506 -6.255 18.670 952 1HB SER 120 1HB SER 120 8.954 -4.494 18.235 953 2HB SER 120 2HB SER 120 8.051 -4.726 19.744 954 HG SER 120 HG SER 120 9.965 -5.986 19.671 955 H ARG 121 H ARG 121 5.480 -4.183 19.299 956 HA ARG 121 HA ARG 121 4.209 -2.878 17.129 957 1HB ARG 121 1HB ARG 121 3.164 -1.452 18.729 958 2HB ARG 121 2HB ARG 121 3.207 -3.097 19.358 959 1HG ARG 121 1HG ARG 121 5.203 -2.454 20.768 960 2HG ARG 121 2HG ARG 121 5.023 -0.786 20.201 961 1HD ARG 121 1HD ARG 121 2.955 -2.387 21.764 962 2HD ARG 121 2HD ARG 121 4.005 -1.140 22.417 963 HE ARG 121 HE ARG 121 2.895 0.536 21.102 964 1HH1 ARG 121 1HH2 ARG 121 1.136 -2.549 21.276 965 2HH1 ARG 121 2HH2 ARG 121 -0.399 -1.851 20.922 966 1HH2 ARG 121 1HH1 ARG 121 0.863 1.458 20.631 967 2HH2 ARG 121 2HH1 ARG 121 -0.555 0.484 20.571 968 H GLU 122 H GLU 122 7.273 -2.090 18.705 969 HA GLU 122 HA GLU 122 7.534 0.568 17.756 970 1HB GLU 122 1HB GLU 122 9.018 -0.553 19.403 971 2HB GLU 122 2HB GLU 122 9.674 -1.575 18.117 972 1HG GLU 122 1HG GLU 122 10.561 0.423 16.961 973 2HG GLU 122 2HG GLU 122 9.813 1.475 18.167 974 H THR 123 H THR 123 7.921 -2.586 16.098 975 HA THR 123 HA THR 123 9.092 -1.512 13.700 976 HB THR 123 HB THR 123 7.322 -3.926 13.526 977 HG1 THR 123 1HG THR 123 8.092 -4.436 15.432 978 1HG2 THR 123 1HG2 THR 123 8.811 -3.218 11.665 979 2HG2 THR 123 2HG2 THR 123 10.223 -3.420 12.727 980 3HG2 THR 123 3HG2 THR 123 9.230 -4.825 12.279 981 H PHE 124 H PHE 124 5.692 -2.142 14.780 982 HA PHE 124 HA PHE 124 4.469 -1.312 12.330 983 1HB PHE 124 1HB PHE 124 3.453 -1.402 15.195 984 2HB PHE 124 2HB PHE 124 2.489 -0.797 13.870 985 HD1 PHE 124 HD1 PHE 124 1.348 -2.226 12.361 986 HD2 PHE 124 HD2 PHE 124 4.257 -3.880 15.091 987 HE1 PHE 124 HE1 PHE 124 0.569 -4.520 11.824 988 HE2 PHE 124 HE2 PHE 124 3.477 -6.158 14.539 989 HZ PHE 124 HZ PHE 124 1.625 -6.486 12.908 990 H ALA 125 H ALA 125 5.519 0.569 15.234 991 HA ALA 125 HA ALA 125 4.427 3.042 14.326 992 1HB ALA 125 1HB ALA 125 5.146 2.630 16.654 993 2HB ALA 125 2HB ALA 125 6.844 2.554 16.125 994 3HB ALA 125 3HB ALA 125 5.933 4.066 15.969 995 H ALA 126 H ALA 126 7.727 1.623 13.871 996 HA ALA 126 HA ALA 126 8.802 3.813 12.380 997 1HB ALA 126 1HB ALA 126 9.487 0.837 12.266 998 2HB ALA 126 2HB ALA 126 10.485 2.165 11.639 999 3HB ALA 126 3HB ALA 126 10.187 2.031 13.383 1000 H VAL 127 H VAL 127 7.241 0.764 11.268 1001 HA VAL 127 HA VAL 127 7.345 1.359 8.502 1002 HB VAL 127 HB VAL 127 5.573 -0.423 10.212 1003 1HG1 VAL 127 1HG1 VAL 127 5.579 -0.234 7.176 1004 2HG1 VAL 127 2HG1 VAL 127 4.885 -1.567 8.119 1005 3HG1 VAL 127 3HG1 VAL 127 4.204 0.051 8.264 1006 1HG2 VAL 127 1HG2 VAL 127 7.774 -1.047 8.188 1007 2HG2 VAL 127 2HG2 VAL 127 8.034 -0.966 9.940 1008 3HG2 VAL 127 3HG2 VAL 127 6.972 -2.200 9.273 1009 H TYR 128 H TYR 128 4.712 2.054 10.921 1010 HA TYR 128 HA TYR 128 2.942 3.305 9.136 1011 1HB TYR 128 1HB TYR 128 2.203 2.856 11.357 1012 2HB TYR 128 2HB TYR 128 3.533 3.760 12.078 1013 HD1 TYR 128 HD1 TYR 128 3.537 6.196 12.213 1014 HD2 TYR 128 HD2 TYR 128 0.280 4.081 10.324 1015 HE1 TYR 128 HE1 TYR 128 2.263 8.306 12.062 1016 HE2 TYR 128 HE2 TYR 128 -1.028 6.173 10.231 1017 HH TYR 128 HH TYR 128 -1.104 8.404 10.848 1018 H THR 129 H THR 129 5.707 4.776 10.973 1019 HA THR 129 HA THR 129 5.170 7.414 10.108 1020 HB THR 129 HB THR 129 7.850 6.169 10.878 1021 HG1 THR 129 1HG THR 129 6.391 5.784 12.504 1022 1HG2 THR 129 1HG2 THR 129 8.369 8.454 11.720 1023 2HG2 THR 129 2HG2 THR 129 8.128 8.439 9.969 1024 3HG2 THR 129 3HG2 THR 129 6.840 9.049 11.031 1025 H LEU 130 H LEU 130 7.223 4.853 8.625 1026 HA LEU 130 HA LEU 130 8.152 6.559 6.502 1027 1HB LEU 130 1HB LEU 130 9.351 4.590 7.370 1028 2HB LEU 130 2HB LEU 130 8.063 3.529 6.793 1029 HG LEU 130 HG LEU 130 8.603 4.015 4.479 1030 1HD1 LEU 130 1HD1 LEU 130 9.286 6.371 4.543 1031 2HD1 LEU 130 2HD1 LEU 130 10.685 5.969 5.565 1032 3HD1 LEU 130 3HD1 LEU 130 10.604 5.410 3.880 1033 1HD2 LEU 130 1HD2 LEU 130 11.124 3.475 6.096 1034 2HD2 LEU 130 2HD2 LEU 130 9.859 2.300 5.704 1035 3HD2 LEU 130 3HD2 LEU 130 10.829 3.009 4.400 1036 H LEU 131 H LEU 131 5.393 4.290 6.815 1037 HA LEU 131 HA LEU 131 4.536 4.534 4.066 1038 1HB LEU 131 1HB LEU 131 3.034 3.819 6.621 1039 2HB LEU 131 2HB LEU 131 2.289 3.827 5.028 1040 HG LEU 131 HG LEU 131 4.622 2.036 5.837 1041 1HD1 LEU 131 1HD1 LEU 131 1.691 1.375 5.334 1042 2HD1 LEU 131 2HD1 LEU 131 2.981 0.229 5.761 1043 3HD1 LEU 131 3HD1 LEU 131 2.472 1.451 6.934 1044 1HD2 LEU 131 1HD2 LEU 131 4.748 2.476 3.457 1045 2HD2 LEU 131 2HD2 LEU 131 4.135 0.849 3.720 1046 3HD2 LEU 131 3HD2 LEU 131 3.010 2.148 3.269 1047 H GLU 132 H GLU 132 3.944 6.478 7.025 1048 HA GLU 132 HA GLU 132 2.016 8.178 5.777 1049 1HB GLU 132 1HB GLU 132 2.287 7.803 8.200 1050 2HB GLU 132 2HB GLU 132 3.798 8.697 8.187 1051 1HG GLU 132 1HG GLU 132 1.373 10.070 7.041 1052 2HG GLU 132 2HG GLU 132 1.319 9.721 8.760 1053 H ARG 133 H ARG 133 5.634 8.421 6.064 1054 HA ARG 133 HA ARG 133 5.856 10.878 4.604 1055 1HB ARG 133 1HB ARG 133 7.700 8.456 4.383 1056 2HB ARG 133 2HB ARG 133 8.072 10.070 3.831 1057 1HG ARG 133 1HG ARG 133 7.695 9.317 6.746 1058 2HG ARG 133 2HG ARG 133 9.216 9.294 5.896 1059 1HD ARG 133 1HD ARG 133 9.013 11.295 7.276 1060 2HD ARG 133 2HD ARG 133 9.231 11.657 5.568 1061 HE ARG 133 HE ARG 133 7.398 12.924 5.690 1062 1HH1 ARG 133 1HH2 ARG 133 6.797 10.298 8.052 1063 2HH1 ARG 133 2HH2 ARG 133 5.285 10.994 8.576 1064 1HH2 ARG 133 1HH1 ARG 133 5.404 13.763 6.436 1065 2HH2 ARG 133 2HH1 ARG 133 4.398 12.784 7.472 1066 H SER 134 H SER 134 5.715 7.487 3.428 1067 HA SER 134 HA SER 134 6.041 8.133 0.702 1068 1HB SER 134 1HB SER 134 4.614 5.741 1.942 1069 2HB SER 134 2HB SER 134 5.268 5.844 0.299 1070 HG SER 134 HG SER 134 6.687 5.861 2.776 1071 H ALA 135 H ALA 135 3.010 7.480 2.563 1072 HA ALA 135 HA ALA 135 1.247 7.878 0.403 1073 1HB ALA 135 1HB ALA 135 0.793 8.316 3.392 1074 2HB ALA 135 2HB ALA 135 -0.481 8.141 2.160 1075 3HB ALA 135 3HB ALA 135 0.597 6.780 2.529 1076 H ARG 136 H ARG 136 2.596 10.265 2.770 1077 HA ARG 136 HA ARG 136 0.962 12.419 1.792 1078 1HB ARG 136 1HB ARG 136 2.117 12.285 4.017 1079 2HB ARG 136 2HB ARG 136 3.665 12.560 3.199 1080 1HG ARG 136 1HG ARG 136 2.798 14.753 2.362 1081 2HG ARG 136 2HG ARG 136 1.259 14.455 3.190 1082 1HD ARG 136 1HD ARG 136 3.990 14.667 4.529 1083 2HD ARG 136 2HD ARG 136 2.804 15.963 4.459 1084 HE ARG 136 HE ARG 136 2.622 13.435 6.046 1085 1HH1 ARG 136 1HH2 ARG 136 1.031 16.522 5.229 1086 2HH1 ARG 136 2HH2 ARG 136 0.021 16.492 6.626 1087 1HH2 ARG 136 1HH1 ARG 136 1.452 13.441 7.818 1088 2HH2 ARG 136 2HH1 ARG 136 0.247 14.663 8.187 1089 H GLN 137 H GLN 137 4.256 11.224 0.877 1090 HA GLN 137 HA GLN 137 4.780 13.325 -0.973 1091 1HB GLN 137 1HB GLN 137 5.779 10.461 -0.814 1092 2HB GLN 137 2HB GLN 137 6.397 11.646 -1.963 1093 1HG GLN 137 1HG GLN 137 6.446 12.262 1.011 1094 2HG GLN 137 2HG GLN 137 7.649 11.205 0.282 1095 1HE2 GLN 137 2HE2 GLN 137 9.313 12.721 0.862 1096 2HE2 GLN 137 1HE2 GLN 137 9.541 14.189 -0.055 1097 H TRP 138 H TRP 138 3.288 10.044 -1.474 1098 HA TRP 138 HA TRP 138 2.743 10.402 -4.223 1099 1HB TRP 138 1HB TRP 138 1.444 8.725 -2.065 1100 2HB TRP 138 2HB TRP 138 0.737 8.826 -3.671 1101 HD1 TRP 138 HD1 TRP 138 3.594 7.203 -1.828 1102 HE1 TRP 138 HE1 TRP 138 4.993 5.768 -3.351 1103 HE3 TRP 138 HE3 TRP 138 1.367 8.418 -6.276 1104 HZ2 TRP 138 HZ2 TRP 138 5.028 5.033 -6.181 1105 HZ3 TRP 138 HZ3 TRP 138 2.094 7.308 -8.372 1106 HH2 TRP 138 HH2 TRP 138 3.929 5.630 -8.333 1107 H ALA 139 H ALA 139 0.692 11.287 -1.355 1108 HA ALA 139 HA ALA 139 -1.433 12.352 -2.874 1109 1HB ALA 139 1HB ALA 139 -1.583 11.889 -0.465 1110 2HB ALA 139 2HB ALA 139 -0.431 13.203 -0.124 1111 3HB ALA 139 3HB ALA 139 -2.015 13.576 -0.827 1112 H GLN 140 H GLN 140 1.597 13.956 -1.743 1113 HA GLN 140 HA GLN 140 0.920 16.559 -2.609 1114 1HB GLN 140 1HB GLN 140 2.783 16.133 -1.112 1115 2HB GLN 140 2HB GLN 140 3.603 15.148 -2.316 1116 1HG GLN 140 1HG GLN 140 4.685 17.286 -2.148 1117 2HG GLN 140 2HG GLN 140 3.973 17.121 -3.743 1118 1HE2 GLN 140 2HE2 GLN 140 1.941 18.368 -4.209 1119 2HE2 GLN 140 1HE2 GLN 140 1.663 19.847 -3.306 1120 H ALA 141 H ALA 141 2.515 13.843 -4.408 1121 HA ALA 141 HA ALA 141 2.851 15.395 -6.804 1122 1HB ALA 141 1HB ALA 141 2.728 12.372 -6.415 1123 2HB ALA 141 2HB ALA 141 3.335 13.233 -7.851 1124 3HB ALA 141 3HB ALA 141 4.182 13.392 -6.298 1125 H LEU 142 H LEU 142 0.324 13.098 -5.721 1126 HA LEU 142 HA LEU 142 -1.288 13.130 -8.058 1127 1HB LEU 142 1HB LEU 142 -1.918 12.716 -5.118 1128 2HB LEU 142 2HB LEU 142 -3.154 12.562 -6.353 1129 HG LEU 142 HG LEU 142 -0.593 10.920 -6.468 1130 1HD1 LEU 142 1HD1 LEU 142 -1.661 10.434 -4.316 1131 2HD1 LEU 142 2HD1 LEU 142 -3.226 10.194 -5.114 1132 3HD1 LEU 142 3HD1 LEU 142 -1.880 9.074 -5.424 1133 1HD2 LEU 142 1HD2 LEU 142 -3.356 10.467 -7.668 1134 2HD2 LEU 142 2HD2 LEU 142 -1.926 11.038 -8.556 1135 3HD2 LEU 142 3HD2 LEU 142 -1.941 9.415 -7.848 1136 H ASN 143 H ASN 143 -1.244 15.358 -5.243 1137 HA ASN 143 HA ASN 143 -3.465 16.963 -6.091 1138 1HB ASN 143 1HB ASN 143 -2.484 16.915 -3.768 1139 2HB ASN 143 2HB ASN 143 -1.038 17.718 -4.414 1140 1HD2 ASN 143 2HD2 ASN 143 -1.063 19.923 -3.982 1141 2HD2 ASN 143 1HD2 ASN 143 -2.496 20.914 -3.956 1142 H ALA 144 H ALA 144 0.001 17.006 -6.833 1143 HA ALA 144 HA ALA 144 0.078 19.670 -7.970 1144 1HB ALA 144 1HB ALA 144 1.945 18.610 -6.698 1145 2HB ALA 144 2HB ALA 144 2.100 17.395 -7.992 1146 3HB ALA 144 3HB ALA 144 2.422 19.118 -8.310 1147 H GLU 145 H GLU 145 1.862 18.754 -9.982 1148 HA GLU 145 HA GLU 145 0.187 18.922 -12.302 1149 1HB GLU 145 1HB GLU 145 2.537 19.719 -12.200 1150 2HB GLU 145 2HB GLU 145 3.104 18.048 -12.088 1151 1HG GLU 145 1HG GLU 145 2.111 17.564 -14.317 1152 2HG GLU 145 2HG GLU 145 1.482 19.209 -14.401 1153 H GLN 146 H GLN 146 -1.060 17.513 -13.129 1154 HA GLN 146 HA GLN 146 -0.358 14.741 -13.514 1155 1HB GLN 146 1HB GLN 146 -2.831 15.673 -11.955 1156 2HB GLN 146 2HB GLN 146 -2.689 14.073 -12.680 1157 1HG GLN 146 1HG GLN 146 -0.977 15.192 -10.431 1158 2HG GLN 146 2HG GLN 146 -2.249 13.998 -10.285 1159 1HE2 GLN 146 2HE2 GLN 146 0.677 13.875 -9.629 1160 2HE2 GLN 146 1HE2 GLN 146 1.258 12.434 -10.455 1161 H VAL 147 H VAL 147 -1.934 13.820 -14.995 1162 HA VAL 147 HA VAL 147 -3.170 15.710 -16.891 1163 HB VAL 147 HB VAL 147 -1.851 14.520 -18.713 1164 1HG1 VAL 147 1HG1 VAL 147 -1.350 16.846 -17.973 1165 2HG1 VAL 147 2HG1 VAL 147 -0.173 16.209 -16.802 1166 3HG1 VAL 147 3HG1 VAL 147 0.086 15.984 -18.542 1167 1HG2 VAL 147 1HG2 VAL 147 0.041 13.737 -16.431 1168 2HG2 VAL 147 2HG2 VAL 147 -0.968 12.608 -17.363 1169 3HG2 VAL 147 3HG2 VAL 147 0.315 13.516 -18.171 Start of MODEL 10 1 H MET 1 H MET 1 -6.205 9.799 -15.902 2 HA MET 1 HA MET 1 -5.330 10.737 -13.910 3 1HB MET 1 1HB MET 1 -7.275 12.094 -13.288 4 2HB MET 1 2HB MET 1 -8.228 10.647 -12.946 5 1HG MET 1 1HG MET 1 -7.349 11.820 -10.927 6 2HG MET 1 2HG MET 1 -6.916 10.122 -11.019 7 1HE MET 1 1HE MET 1 -5.494 12.031 -8.924 8 2HE MET 1 2HE MET 1 -5.175 10.296 -9.153 9 3HE MET 1 3HE MET 1 -3.828 11.460 -9.121 10 H PHE 2 H PHE 2 -4.596 9.357 -12.218 11 HA PHE 2 HA PHE 2 -4.967 6.497 -12.514 12 1HB PHE 2 1HB PHE 2 -3.564 8.099 -10.334 13 2HB PHE 2 2HB PHE 2 -3.368 6.387 -10.670 14 HD1 PHE 2 HD1 PHE 2 -2.206 9.735 -11.423 15 HD2 PHE 2 HD2 PHE 2 -2.352 5.703 -12.956 16 HE1 PHE 2 HE1 PHE 2 -0.351 10.252 -12.984 17 HE2 PHE 2 HE2 PHE 2 -0.486 6.226 -14.502 18 HZ PHE 2 HZ PHE 2 0.519 8.503 -14.520 19 H ASN 3 H ASN 3 -7.472 7.034 -12.245 20 HA ASN 3 HA ASN 3 -8.480 7.896 -9.742 21 1HB ASN 3 1HB ASN 3 -9.770 7.881 -11.881 22 2HB ASN 3 2HB ASN 3 -9.878 6.119 -11.792 23 1HD2 ASN 3 2HD2 ASN 3 -11.370 5.156 -10.206 24 2HD2 ASN 3 1HD2 ASN 3 -12.497 6.172 -9.343 25 H ASN 4 H ASN 4 -7.660 4.621 -10.886 26 HA ASN 4 HA ASN 4 -8.769 3.445 -8.360 27 1HB ASN 4 1HB ASN 4 -8.255 2.222 -11.119 28 2HB ASN 4 2HB ASN 4 -8.592 1.299 -9.656 29 1HD2 ASN 4 2HD2 ASN 4 -10.332 0.372 -11.033 30 2HD2 ASN 4 1HD2 ASN 4 -11.851 1.234 -11.063 31 H ILE 5 H ILE 5 -7.204 2.703 -6.960 32 HA ILE 5 HA ILE 5 -4.457 2.218 -8.015 33 HB ILE 5 HB ILE 5 -5.256 3.922 -5.627 34 1HG1 ILE 5 1HG1 ILE 5 -3.879 4.695 -8.235 35 2HG1 ILE 5 2HG1 ILE 5 -5.524 5.112 -7.765 36 1HG2 ILE 5 1HG2 ILE 5 -2.440 3.284 -6.598 37 2HG2 ILE 5 2HG2 ILE 5 -2.862 4.313 -5.207 38 3HG2 ILE 5 3HG2 ILE 5 -3.183 2.603 -5.137 39 1HD1 ILE 5 1HD1 ILE 5 -3.017 6.157 -6.416 40 2HD1 ILE 5 2HD1 ILE 5 -4.108 7.025 -7.492 41 3HD1 ILE 5 3HD1 ILE 5 -4.701 6.485 -5.910 42 H LEU 6 H LEU 6 -3.336 0.590 -6.839 43 HA LEU 6 HA LEU 6 -4.862 -0.729 -4.621 44 1HB LEU 6 1HB LEU 6 -4.499 -1.876 -7.137 45 2HB LEU 6 2HB LEU 6 -3.113 -2.488 -6.253 46 HG LEU 6 HG LEU 6 -6.060 -2.848 -5.619 47 1HD1 LEU 6 1HD1 LEU 6 -5.586 -5.220 -6.012 48 2HD1 LEU 6 2HD1 LEU 6 -5.001 -4.297 -7.404 49 3HD1 LEU 6 3HD1 LEU 6 -3.850 -4.882 -6.199 50 1HD2 LEU 6 1HD2 LEU 6 -4.909 -2.639 -3.458 51 2HD2 LEU 6 2HD2 LEU 6 -5.465 -4.270 -3.744 52 3HD2 LEU 6 3HD2 LEU 6 -3.742 -3.875 -3.945 53 H VAL 7 H VAL 7 -3.541 -1.291 -2.862 54 HA VAL 7 HA VAL 7 -0.612 -1.006 -3.267 55 HB VAL 7 HB VAL 7 -1.971 -0.695 -0.582 56 1HG1 VAL 7 1HG1 VAL 7 0.775 -0.012 -1.748 57 2HG1 VAL 7 2HG1 VAL 7 0.250 0.466 -0.141 58 3HG1 VAL 7 3HG1 VAL 7 0.411 -1.247 -0.527 59 1HG2 VAL 7 1HG2 VAL 7 -2.874 1.142 -1.913 60 2HG2 VAL 7 2HG2 VAL 7 -1.638 1.762 -0.819 61 3HG2 VAL 7 3HG2 VAL 7 -1.258 1.534 -2.542 62 H VAL 8 H VAL 8 0.651 -2.781 -2.665 63 HA VAL 8 HA VAL 8 -0.874 -5.172 -1.754 64 HB VAL 8 HB VAL 8 1.230 -5.282 -3.920 65 1HG1 VAL 8 1HG1 VAL 8 -1.181 -7.034 -3.245 66 2HG1 VAL 8 2HG1 VAL 8 -0.004 -7.346 -4.532 67 3HG1 VAL 8 3HG1 VAL 8 0.518 -7.395 -2.851 68 1HG2 VAL 8 1HG2 VAL 8 -0.498 -5.238 -5.662 69 2HG2 VAL 8 2HG2 VAL 8 -1.725 -4.806 -4.448 70 3HG2 VAL 8 3HG2 VAL 8 -0.393 -3.694 -4.842 71 H CYS 9 H CYS 9 0.209 -6.497 -0.274 72 HA CYS 9 HA CYS 9 3.151 -6.448 -0.311 73 1HB CYS 9 1HB CYS 9 3.457 -6.004 2.032 74 2HB CYS 9 2HB CYS 9 2.513 -4.691 1.332 75 HG CYS 9 HG CYS 9 1.657 -7.184 3.303 76 H VAL 10 H VAL 10 3.865 -8.144 1.637 77 HA VAL 10 HA VAL 10 2.362 -10.640 0.957 78 HB VAL 10 HB VAL 10 4.116 -11.753 2.354 79 1HG1 VAL 10 1HG1 VAL 10 4.244 -11.798 -0.057 80 2HG1 VAL 10 2HG1 VAL 10 5.008 -10.202 -0.111 81 3HG1 VAL 10 3HG1 VAL 10 5.877 -11.588 0.594 82 1HG2 VAL 10 1HG2 VAL 10 4.901 -9.838 3.706 83 2HG2 VAL 10 2HG2 VAL 10 6.223 -10.614 2.831 84 3HG2 VAL 10 3HG2 VAL 10 5.572 -9.073 2.249 85 H GLY 11 H GLY 11 1.343 -11.842 2.708 86 1HA GLY 11 1HA GLY 11 0.197 -12.095 4.685 87 2HA GLY 11 2HA GLY 11 1.110 -10.741 5.363 88 H ASN 12 H ASN 12 0.236 -8.862 3.234 89 HA ASN 12 HA ASN 12 -1.357 -7.413 2.658 90 1HB ASN 12 1HB ASN 12 -2.691 -9.424 1.997 91 2HB ASN 12 2HB ASN 12 -3.474 -9.389 3.567 92 1HD2 ASN 12 1HD2 ASN 12 -3.177 -6.078 2.979 93 2HD2 ASN 12 2HD2 ASN 12 -4.684 -5.907 2.123 94 H ILE 13 H ILE 13 -2.510 -8.935 5.709 95 HA ILE 13 HA ILE 13 -4.011 -6.762 6.554 96 HB ILE 13 HB ILE 13 -4.146 -7.942 8.688 97 1HG1 ILE 13 1HG1 ILE 13 -1.929 -9.780 7.670 98 2HG1 ILE 13 2HG1 ILE 13 -1.719 -8.544 8.908 99 1HG2 ILE 13 1HG2 ILE 13 -5.394 -8.722 6.672 100 2HG2 ILE 13 2HG2 ILE 13 -4.139 -9.960 6.399 101 3HG2 ILE 13 3HG2 ILE 13 -5.126 -9.977 7.873 102 1HD1 ILE 13 1HD1 ILE 13 -1.986 -10.652 10.011 103 2HD1 ILE 13 2HD1 ILE 13 -3.457 -9.704 10.309 104 3HD1 ILE 13 3HD1 ILE 13 -3.462 -11.023 9.110 105 H CYS 14 H CYS 14 -0.761 -6.301 6.327 106 HA CYS 14 HA CYS 14 -0.588 -4.861 8.952 107 1HB CYS 14 1HB CYS 14 1.832 -5.424 8.915 108 2HB CYS 14 2HB CYS 14 0.768 -6.829 9.077 109 HG CYS 14 HG CYS 14 0.928 -7.717 6.702 110 H ARG 15 H ARG 15 0.030 -4.510 5.449 111 HA ARG 15 HA ARG 15 1.111 -1.784 6.071 112 1HB ARG 15 1HB ARG 15 2.361 -3.832 4.205 113 2HB ARG 15 2HB ARG 15 2.781 -2.116 4.257 114 1HG ARG 15 1HG ARG 15 3.445 -2.298 6.605 115 2HG ARG 15 2HG ARG 15 3.041 -4.014 6.636 116 1HD ARG 15 1HD ARG 15 5.141 -2.796 4.800 117 2HD ARG 15 2HD ARG 15 5.470 -3.501 6.375 118 HE ARG 15 HE ARG 15 4.074 -5.485 5.044 119 1HH1 ARG 15 1HH2 ARG 15 7.273 -3.895 4.760 120 2HH1 ARG 15 2HH2 ARG 15 7.875 -5.145 3.690 121 1HH2 ARG 15 1HH1 ARG 15 5.142 -7.218 3.843 122 2HH2 ARG 15 2HH1 ARG 15 6.745 -6.902 3.193 123 H SER 16 H SER 16 -0.170 -3.833 3.325 124 HA SER 16 HA SER 16 -0.632 -1.594 1.701 125 1HB SER 16 1HB SER 16 -2.432 -3.150 0.662 126 2HB SER 16 2HB SER 16 -0.707 -3.531 0.543 127 HG SER 16 HG SER 16 -1.886 -5.341 1.111 128 HA PRO 17 HA PRO 17 -5.016 -0.986 3.472 129 1HB PRO 17 1HB PRO 17 -5.500 -1.594 6.123 130 2HB PRO 17 2HB PRO 17 -5.891 -2.632 4.729 131 1HG PRO 17 1HG PRO 17 -3.476 -2.791 6.542 132 2HG PRO 17 2HG PRO 17 -4.524 -4.130 5.972 133 1HD PRO 17 1HD PRO 17 -2.167 -3.571 4.797 134 2HD PRO 17 2HD PRO 17 -3.568 -4.081 3.814 135 H THR 18 H THR 18 -2.191 -0.827 5.668 136 HA THR 18 HA THR 18 -2.938 1.582 6.996 137 HB THR 18 HB THR 18 -0.116 0.607 6.441 138 HG1 THR 18 1HG THR 18 -0.370 -0.897 8.041 139 1HG2 THR 18 1HG2 THR 18 -0.335 2.715 7.726 140 2HG2 THR 18 2HG2 THR 18 -1.408 1.899 8.883 141 3HG2 THR 18 3HG2 THR 18 0.297 1.409 8.743 142 H ALA 19 H ALA 19 -0.830 0.912 4.141 143 HA ALA 19 HA ALA 19 -0.307 3.622 3.443 144 1HB ALA 19 1HB ALA 19 -0.494 1.079 1.788 145 2HB ALA 19 2HB ALA 19 0.158 2.620 1.181 146 3HB ALA 19 3HB ALA 19 0.976 1.753 2.512 147 H GLU 20 H GLU 20 -2.897 1.341 2.321 148 HA GLU 20 HA GLU 20 -4.087 3.039 0.442 149 1HB GLU 20 1HB GLU 20 -4.628 0.673 0.664 150 2HB GLU 20 2HB GLU 20 -5.283 0.937 2.279 151 1HG GLU 20 1HG GLU 20 -6.769 2.694 0.597 152 2HG GLU 20 2HG GLU 20 -6.539 1.235 -0.326 153 H ARG 21 H ARG 21 -4.944 2.665 3.944 154 HA ARG 21 HA ARG 21 -6.976 4.669 3.827 155 1HB ARG 21 1HB ARG 21 -5.376 3.405 6.085 156 2HB ARG 21 2HB ARG 21 -6.623 4.598 6.390 157 1HG ARG 21 1HG ARG 21 -7.165 1.983 4.930 158 2HG ARG 21 2HG ARG 21 -7.420 2.275 6.648 159 1HD ARG 21 1HD ARG 21 -8.835 4.335 5.855 160 2HD ARG 21 2HD ARG 21 -8.929 3.476 4.315 161 HE ARG 21 HE ARG 21 -10.039 2.719 6.960 162 1HH1 ARG 21 1HH2 ARG 21 -9.485 1.505 3.613 163 2HH1 ARG 21 2HH2 ARG 21 -10.855 0.461 3.671 164 1HH2 ARG 21 1HH1 ARG 21 -11.873 1.406 6.936 165 2HH2 ARG 21 2HH1 ARG 21 -12.221 0.373 5.596 166 H LEU 22 H LEU 22 -3.465 4.905 4.492 167 HA LEU 22 HA LEU 22 -3.524 7.676 5.264 168 1HB LEU 22 1HB LEU 22 -1.424 5.777 4.174 169 2HB LEU 22 2HB LEU 22 -1.063 7.486 4.336 170 HG LEU 22 HG LEU 22 -2.142 5.908 6.705 171 1HD1 LEU 22 1HD1 LEU 22 0.734 6.189 5.779 172 2HD1 LEU 22 2HD1 LEU 22 0.263 5.691 7.422 173 3HD1 LEU 22 3HD1 LEU 22 -0.170 4.697 6.024 174 1HD2 LEU 22 1HD2 LEU 22 -0.880 7.727 7.928 175 2HD2 LEU 22 2HD2 LEU 22 -0.568 8.505 6.370 176 3HD2 LEU 22 3HD2 LEU 22 -2.230 8.328 6.963 177 H LEU 23 H LEU 23 -3.155 6.041 2.073 178 HA LEU 23 HA LEU 23 -2.857 8.466 0.566 179 1HB LEU 23 1HB LEU 23 -3.862 5.696 -0.170 180 2HB LEU 23 2HB LEU 23 -3.696 6.997 -1.344 181 HG LEU 23 HG LEU 23 -1.320 6.165 0.332 182 1HD1 LEU 23 1HD1 LEU 23 -2.143 4.114 -0.700 183 2HD1 LEU 23 2HD1 LEU 23 -2.225 4.909 -2.297 184 3HD1 LEU 23 3HD1 LEU 23 -0.667 4.622 -1.495 185 1HD2 LEU 23 1HD2 LEU 23 -1.584 7.429 -2.436 186 2HD2 LEU 23 2HD2 LEU 23 -1.154 8.287 -0.942 187 3HD2 LEU 23 3HD2 LEU 23 -0.066 7.062 -1.600 188 H GLN 24 H GLN 24 -5.782 6.562 1.545 189 HA GLN 24 HA GLN 24 -7.658 8.236 0.202 190 1HB GLN 24 1HB GLN 24 -7.868 6.533 2.719 191 2HB GLN 24 2HB GLN 24 -9.225 7.441 2.086 192 1HG GLN 24 1HG GLN 24 -7.730 5.251 0.584 193 2HG GLN 24 2HG GLN 24 -9.281 5.075 1.401 194 1HE2 GLN 24 2HE2 GLN 24 -10.795 7.251 0.606 195 2HE2 GLN 24 1HE2 GLN 24 -10.898 7.318 -1.145 196 H ARG 25 H ARG 25 -6.197 8.531 3.528 197 HA ARG 25 HA ARG 25 -7.668 10.822 4.252 198 1HB ARG 25 1HB ARG 25 -6.420 9.593 5.879 199 2HB ARG 25 2HB ARG 25 -4.886 9.884 5.063 200 1HG ARG 25 1HG ARG 25 -4.817 12.165 5.673 201 2HG ARG 25 2HG ARG 25 -6.526 12.210 6.125 202 1HD ARG 25 1HD ARG 25 -4.479 10.495 7.594 203 2HD ARG 25 2HD ARG 25 -4.842 12.175 8.039 204 HE ARG 25 HE ARG 25 -7.302 10.874 7.847 205 1HH1 ARG 25 1HH2 ARG 25 -4.457 10.649 9.973 206 2HH1 ARG 25 2HH2 ARG 25 -5.353 10.111 11.352 207 1HH2 ARG 25 1HH1 ARG 25 -8.488 10.214 9.637 208 2HH2 ARG 25 2HH1 ARG 25 -7.722 9.815 11.129 209 H TYR 26 H TYR 26 -4.535 10.641 2.460 210 HA TYR 26 HA TYR 26 -4.451 13.517 2.204 211 1HB TYR 26 1HB TYR 26 -2.836 11.297 0.909 212 2HB TYR 26 2HB TYR 26 -2.546 13.010 0.632 213 HD1 TYR 26 HD1 TYR 26 -2.555 14.458 2.989 214 HD2 TYR 26 HD2 TYR 26 -1.295 10.367 2.451 215 HE1 TYR 26 HE1 TYR 26 -1.115 14.646 4.986 216 HE2 TYR 26 HE2 TYR 26 0.202 10.566 4.415 217 HH TYR 26 HH TYR 26 1.006 11.980 6.087 218 H HIS 27 H HIS 27 -5.892 11.015 0.158 219 HA HIS 27 HA HIS 27 -6.606 13.066 -1.855 220 1HB HIS 27 1HB HIS 27 -4.365 11.584 -2.161 221 2HB HIS 27 2HB HIS 27 -5.493 10.424 -2.809 222 HD1 HIS 27 HD1 HIS 27 -7.168 13.196 -4.144 223 HD2 HIS 27 HD2 HIS 27 -3.238 11.751 -4.589 224 HE1 HIS 27 HE1 HIS 27 -6.288 14.144 -6.346 225 HA PRO 28 HA PRO 28 -9.774 9.981 -0.297 226 1HB PRO 28 1HB PRO 28 -11.849 11.689 0.329 227 2HB PRO 28 2HB PRO 28 -10.469 11.352 1.412 228 1HG PRO 28 1HG PRO 28 -10.805 13.677 -0.510 229 2HG PRO 28 2HG PRO 28 -10.323 13.729 1.218 230 1HD PRO 28 1HD PRO 28 -8.470 13.804 -0.759 231 2HD PRO 28 2HD PRO 28 -8.175 12.869 0.738 232 H GLU 29 H GLU 29 -9.949 12.242 -2.964 233 HA GLU 29 HA GLU 29 -12.565 11.265 -3.863 234 1HB GLU 29 1HB GLU 29 -12.244 12.687 -5.798 235 2HB GLU 29 2HB GLU 29 -12.065 13.574 -4.300 236 1HG GLU 29 1HG GLU 29 -9.628 12.553 -5.812 237 2HG GLU 29 2HG GLU 29 -10.447 14.036 -6.284 238 H LEU 30 H LEU 30 -9.424 9.967 -3.951 239 HA LEU 30 HA LEU 30 -9.816 8.595 -6.558 240 1HB LEU 30 1HB LEU 30 -7.524 8.332 -4.579 241 2HB LEU 30 2HB LEU 30 -7.598 7.684 -6.221 242 HG LEU 30 HG LEU 30 -7.409 10.604 -5.422 243 1HD1 LEU 30 1HD1 LEU 30 -5.321 9.269 -5.312 244 2HD1 LEU 30 2HD1 LEU 30 -5.557 8.773 -7.006 245 3HD1 LEU 30 3HD1 LEU 30 -5.257 10.472 -6.609 246 1HD2 LEU 30 1HD2 LEU 30 -8.873 10.455 -7.419 247 2HD2 LEU 30 2HD2 LEU 30 -7.308 11.145 -7.817 248 3HD2 LEU 30 3HD2 LEU 30 -7.650 9.450 -8.237 249 H LYS 31 H LYS 31 -9.313 6.179 -6.496 250 HA LYS 31 HA LYS 31 -10.833 4.887 -4.259 251 1HB LYS 31 1HB LYS 31 -12.049 4.920 -6.384 252 2HB LYS 31 2HB LYS 31 -10.672 4.199 -7.225 253 1HG LYS 31 1HG LYS 31 -10.913 2.114 -5.976 254 2HG LYS 31 2HG LYS 31 -12.152 2.842 -4.930 255 1HD LYS 31 1HD LYS 31 -13.638 3.124 -6.900 256 2HD LYS 31 2HD LYS 31 -12.399 2.381 -7.938 257 1HE LYS 31 1HE LYS 31 -12.530 0.290 -6.627 258 2HE LYS 31 2HE LYS 31 -13.697 1.032 -5.525 259 1HZ LYS 31 1HZ LYS 31 -14.176 0.531 -8.408 260 2HZ LYS 31 2HZ LYS 31 -14.797 -0.336 -7.176 261 3HZ LYS 31 3HZ LYS 31 -15.248 1.213 -7.378 262 H VAL 32 H VAL 32 -8.891 4.664 -3.048 263 HA VAL 32 HA VAL 32 -6.783 2.953 -4.224 264 HB VAL 32 HB VAL 32 -6.807 4.221 -1.465 265 1HG1 VAL 32 1HG1 VAL 32 -5.193 2.364 -1.851 266 2HG1 VAL 32 2HG1 VAL 32 -4.548 3.220 -3.258 267 3HG1 VAL 32 3HG1 VAL 32 -4.377 3.915 -1.637 268 1HG2 VAL 32 1HG2 VAL 32 -5.391 6.019 -2.350 269 2HG2 VAL 32 2HG2 VAL 32 -5.576 5.407 -3.999 270 3HG2 VAL 32 3HG2 VAL 32 -6.958 6.084 -3.124 271 H GLU 33 H GLU 33 -6.692 0.800 -3.678 272 HA GLU 33 HA GLU 33 -8.239 -0.143 -1.292 273 1HB GLU 33 1HB GLU 33 -8.115 -1.361 -4.072 274 2HB GLU 33 2HB GLU 33 -8.688 -2.241 -2.665 275 1HG GLU 33 1HG GLU 33 -9.927 0.314 -3.774 276 2HG GLU 33 2HG GLU 33 -10.557 -1.313 -3.955 277 H SER 34 H SER 34 -7.461 -2.562 -0.896 278 HA SER 34 HA SER 34 -4.481 -2.569 -0.826 279 1HB SER 34 1HB SER 34 -4.837 -3.202 1.638 280 2HB SER 34 2HB SER 34 -5.102 -1.509 1.194 281 HG SER 34 HG SER 34 -7.206 -1.680 1.476 282 H ALA 35 H ALA 35 -3.594 -4.604 -1.092 283 HA ALA 35 HA ALA 35 -5.229 -7.014 -0.573 284 1HB ALA 35 1HB ALA 35 -5.755 -6.415 -2.914 285 2HB ALA 35 2HB ALA 35 -4.015 -6.342 -3.299 286 3HB ALA 35 3HB ALA 35 -4.779 -7.881 -2.864 287 H GLY 36 H GLY 36 -3.705 -9.002 -1.239 288 1HA GLY 36 1HA GLY 36 -0.867 -8.272 -1.025 289 2HA GLY 36 2HA GLY 36 -1.482 -9.325 0.237 290 H LEU 37 H LEU 37 0.653 -9.878 -1.358 291 HA LEU 37 HA LEU 37 0.001 -11.568 -3.622 292 1HB LEU 37 1HB LEU 37 2.473 -10.930 -1.990 293 2HB LEU 37 2HB LEU 37 2.517 -12.241 -3.157 294 HG LEU 37 HG LEU 37 1.575 -9.471 -3.984 295 1HD1 LEU 37 1HD1 LEU 37 4.426 -10.529 -3.974 296 2HD1 LEU 37 2HD1 LEU 37 3.876 -9.034 -4.774 297 3HD1 LEU 37 3HD1 LEU 37 3.795 -9.178 -3.012 298 1HD2 LEU 37 1HD2 LEU 37 2.751 -11.848 -5.508 299 2HD2 LEU 37 2HD2 LEU 37 1.068 -11.303 -5.559 300 3HD2 LEU 37 3HD2 LEU 37 2.341 -10.280 -6.228 301 H GLY 38 H GLY 38 0.117 -12.090 -0.186 302 1HA GLY 38 1HA GLY 38 -0.579 -14.938 -0.565 303 2HA GLY 38 2HA GLY 38 0.815 -14.555 0.478 304 H ALA 39 H ALA 39 -2.524 -13.363 -0.177 305 HA ALA 39 HA ALA 39 -2.629 -12.028 2.418 306 1HB ALA 39 1HB ALA 39 -3.611 -11.096 0.288 307 2HB ALA 39 2HB ALA 39 -4.796 -12.428 0.328 308 3HB ALA 39 3HB ALA 39 -4.783 -11.209 1.613 309 H LEU 40 H LEU 40 -4.510 -12.269 3.826 310 HA LEU 40 HA LEU 40 -5.348 -15.115 4.223 311 1HB LEU 40 1HB LEU 40 -4.972 -12.749 6.117 312 2HB LEU 40 2HB LEU 40 -5.863 -14.207 6.544 313 HG LEU 40 HG LEU 40 -3.795 -15.571 6.035 314 1HD1 LEU 40 1HD1 LEU 40 -2.396 -14.028 4.766 315 2HD1 LEU 40 2HD1 LEU 40 -2.447 -12.834 6.083 316 3HD1 LEU 40 3HD1 LEU 40 -1.597 -14.381 6.288 317 1HD2 LEU 40 1HD2 LEU 40 -3.600 -13.523 8.283 318 2HD2 LEU 40 2HD2 LEU 40 -4.564 -15.021 8.325 319 3HD2 LEU 40 3HD2 LEU 40 -2.802 -15.111 8.233 320 H VAL 41 H VAL 41 -6.845 -14.575 2.378 321 HA VAL 41 HA VAL 41 -8.423 -12.425 2.052 322 HB VAL 41 HB VAL 41 -9.445 -15.243 1.558 323 1HG1 VAL 41 1HG1 VAL 41 -9.825 -12.616 0.039 324 2HG1 VAL 41 2HG1 VAL 41 -10.458 -14.202 -0.453 325 3HG1 VAL 41 3HG1 VAL 41 -11.052 -13.440 1.022 326 1HG2 VAL 41 1HG2 VAL 41 -7.199 -15.294 0.708 327 2HG2 VAL 41 2HG2 VAL 41 -8.249 -15.015 -0.675 328 3HG2 VAL 41 3HG2 VAL 41 -7.349 -13.655 0.039 329 H GLY 42 H GLY 42 -10.043 -11.370 2.981 330 1HA GLY 42 1HA GLY 42 -12.105 -11.106 4.004 331 2HA GLY 42 2HA GLY 42 -12.082 -12.783 4.553 332 H LYS 43 H LYS 43 -9.214 -12.266 5.742 333 HA LYS 43 HA LYS 43 -10.108 -11.618 8.374 334 1HB LYS 43 1HB LYS 43 -8.090 -12.993 7.712 335 2HB LYS 43 2HB LYS 43 -7.249 -11.485 7.310 336 1HG LYS 43 1HG LYS 43 -7.401 -10.742 9.640 337 2HG LYS 43 2HG LYS 43 -8.444 -12.117 10.050 338 1HD LYS 43 1HD LYS 43 -6.595 -13.679 9.543 339 2HD LYS 43 2HD LYS 43 -5.546 -12.304 9.125 340 1HE LYS 43 1HE LYS 43 -5.755 -11.414 11.416 341 2HE LYS 43 2HE LYS 43 -6.897 -12.695 11.836 342 1HZ LYS 43 1HZ LYS 43 -5.122 -14.313 11.523 343 2HZ LYS 43 2HZ LYS 43 -4.048 -13.135 11.138 344 3HZ LYS 43 3HZ LYS 43 -4.690 -13.208 12.633 345 H GLY 44 H GLY 44 -9.754 -9.736 9.666 346 1HA GLY 44 1HA GLY 44 -9.929 -7.201 8.287 347 2HA GLY 44 2HA GLY 44 -9.841 -7.461 10.032 348 H ALA 45 H ALA 45 -8.447 -5.369 9.380 349 HA ALA 45 HA ALA 45 -5.684 -5.859 8.627 350 1HB ALA 45 1HB ALA 45 -6.580 -3.605 8.442 351 2HB ALA 45 2HB ALA 45 -7.029 -3.589 10.157 352 3HB ALA 45 3HB ALA 45 -5.316 -3.613 9.683 353 H ASP 46 H ASP 46 -3.873 -5.787 10.156 354 HA ASP 46 HA ASP 46 -4.217 -7.691 12.257 355 1HB ASP 46 1HB ASP 46 -2.110 -7.397 11.005 356 2HB ASP 46 2HB ASP 46 -1.891 -5.803 11.735 357 HA PRO 47 HA PRO 47 -5.770 -4.946 15.440 358 1HB PRO 47 1HB PRO 47 -4.140 -6.718 17.272 359 2HB PRO 47 2HB PRO 47 -5.808 -6.101 17.496 360 1HG PRO 47 1HG PRO 47 -5.405 -8.634 16.623 361 2HG PRO 47 2HG PRO 47 -6.664 -7.613 15.852 362 1HD PRO 47 1HD PRO 47 -3.884 -8.246 14.853 363 2HD PRO 47 2HD PRO 47 -5.430 -8.153 13.951 364 H THR 48 H THR 48 -2.261 -5.607 15.195 365 HA THR 48 HA THR 48 -1.542 -3.485 17.070 366 HB THR 48 HB THR 48 0.368 -4.580 15.025 367 HG1 THR 48 1HG THR 48 -0.613 -6.396 15.511 368 1HG2 THR 48 1HG2 THR 48 0.581 -4.105 18.035 369 2HG2 THR 48 2HG2 THR 48 1.913 -4.579 16.955 370 3HG2 THR 48 3HG2 THR 48 1.134 -2.997 16.760 371 H ALA 49 H ALA 49 -1.878 -3.949 13.523 372 HA ALA 49 HA ALA 49 -0.813 -1.377 12.773 373 1HB ALA 49 1HB ALA 49 -1.874 -1.872 10.615 374 2HB ALA 49 2HB ALA 49 -1.051 -3.323 11.220 375 3HB ALA 49 3HB ALA 49 -2.811 -3.197 11.342 376 H ILE 50 H ILE 50 -4.114 -2.656 13.466 377 HA ILE 50 HA ILE 50 -5.522 -0.214 13.069 378 HB ILE 50 HB ILE 50 -6.073 -2.568 14.909 379 1HG1 ILE 50 1HG1 ILE 50 -7.334 -1.833 12.225 380 2HG1 ILE 50 2HG1 ILE 50 -6.029 -3.001 12.403 381 1HG2 ILE 50 1HG2 ILE 50 -7.975 -0.308 14.125 382 2HG2 ILE 50 2HG2 ILE 50 -8.420 -1.756 15.058 383 3HG2 ILE 50 3HG2 ILE 50 -7.315 -0.591 15.747 384 1HD1 ILE 50 1HD1 ILE 50 -8.107 -4.194 12.211 385 2HD1 ILE 50 2HD1 ILE 50 -7.497 -4.400 13.863 386 3HD1 ILE 50 3HD1 ILE 50 -8.843 -3.283 13.526 387 H SER 51 H SER 51 -3.953 -1.549 16.066 388 HA SER 51 HA SER 51 -4.769 0.581 17.734 389 1HB SER 51 1HB SER 51 -2.291 -1.183 17.955 390 2HB SER 51 2HB SER 51 -2.999 -0.200 19.248 391 HG SER 51 HG SER 51 -4.143 -2.435 17.916 392 H VAL 52 H VAL 52 -1.757 0.233 15.763 393 HA VAL 52 HA VAL 52 -0.693 2.770 16.616 394 HB VAL 52 HB VAL 52 -0.128 0.897 14.294 395 1HG1 VAL 52 1HG1 VAL 52 1.427 3.427 14.979 396 2HG1 VAL 52 2HG1 VAL 52 1.874 2.177 13.788 397 3HG1 VAL 52 3HG1 VAL 52 0.457 3.176 13.511 398 1HG2 VAL 52 1HG2 VAL 52 0.565 0.104 16.517 399 2HG2 VAL 52 2HG2 VAL 52 2.006 0.606 15.623 400 3HG2 VAL 52 3HG2 VAL 52 1.343 1.661 16.868 401 H ALA 53 H ALA 53 -2.844 1.831 13.821 402 HA ALA 53 HA ALA 53 -2.829 4.462 12.722 403 1HB ALA 53 1HB ALA 53 -5.017 2.349 12.595 404 2HB ALA 53 2HB ALA 53 -4.795 3.721 11.488 405 3HB ALA 53 3HB ALA 53 -3.591 2.426 11.527 406 H ALA 54 H ALA 54 -4.893 2.956 15.265 407 HA ALA 54 HA ALA 54 -6.621 5.180 15.614 408 1HB ALA 54 1HB ALA 54 -7.133 4.146 17.791 409 2HB ALA 54 2HB ALA 54 -7.078 2.919 16.509 410 3HB ALA 54 3HB ALA 54 -5.718 3.086 17.644 411 H GLU 55 H GLU 55 -3.341 4.512 16.925 412 HA GLU 55 HA GLU 55 -3.161 6.663 18.709 413 1HB GLU 55 1HB GLU 55 -1.517 4.702 18.033 414 2HB GLU 55 2HB GLU 55 -0.835 5.910 16.934 415 1HG GLU 55 1HG GLU 55 -0.465 7.425 18.875 416 2HG GLU 55 2HG GLU 55 -1.097 6.171 19.950 417 H HIS 56 H HIS 56 -3.364 6.734 15.227 418 HA HIS 56 HA HIS 56 -2.929 9.681 15.158 419 1HB HIS 56 1HB HIS 56 -2.565 7.623 12.949 420 2HB HIS 56 2HB HIS 56 -2.295 9.360 12.801 421 HD1 HIS 56 HD1 HIS 56 -0.196 10.303 14.527 422 HD2 HIS 56 HD2 HIS 56 -0.492 6.197 13.646 423 HE1 HIS 56 HE1 HIS 56 2.053 9.276 15.133 424 H GLN 57 H GLN 57 -5.331 7.829 15.739 425 HA GLN 57 HA GLN 57 -7.504 7.532 15.171 426 1HB GLN 57 1HB GLN 57 -7.295 10.549 14.732 427 2HB GLN 57 2HB GLN 57 -8.767 9.635 15.055 428 1HG GLN 57 1HG GLN 57 -8.230 10.571 17.125 429 2HG GLN 57 2HG GLN 57 -7.729 8.893 17.264 430 1HE2 GLN 57 2HE2 GLN 57 -5.603 8.531 17.962 431 2HE2 GLN 57 1HE2 GLN 57 -4.347 9.747 17.997 432 H LEU 58 H LEU 58 -6.166 6.532 13.184 433 HA LEU 58 HA LEU 58 -7.900 7.204 10.845 434 1HB LEU 58 1HB LEU 58 -5.524 7.625 10.326 435 2HB LEU 58 2HB LEU 58 -5.090 6.016 10.892 436 HG LEU 58 HG LEU 58 -6.288 4.973 9.045 437 1HD1 LEU 58 1HD1 LEU 58 -7.212 6.527 7.191 438 2HD1 LEU 58 2HD1 LEU 58 -8.202 6.339 8.630 439 3HD1 LEU 58 3HD1 LEU 58 -7.209 7.803 8.406 440 1HD2 LEU 58 1HD2 LEU 58 -4.871 5.799 7.212 441 2HD2 LEU 58 2HD2 LEU 58 -4.545 7.292 8.111 442 3HD2 LEU 58 3HD2 LEU 58 -3.967 5.727 8.720 443 H SER 59 H SER 59 -9.061 5.419 10.078 444 HA SER 59 HA SER 59 -9.109 3.165 11.985 445 1HB SER 59 1HB SER 59 -11.314 4.259 10.208 446 2HB SER 59 2HB SER 59 -11.473 3.044 11.489 447 HG SER 59 HG SER 59 -12.046 5.155 12.195 448 H LEU 60 H LEU 60 -7.719 1.640 11.001 449 HA LEU 60 HA LEU 60 -8.197 0.765 8.213 450 1HB LEU 60 1HB LEU 60 -6.667 -0.845 10.256 451 2HB LEU 60 2HB LEU 60 -6.478 -0.802 8.515 452 HG LEU 60 HG LEU 60 -5.540 1.238 10.543 453 1HD1 LEU 60 1HD1 LEU 60 -3.298 0.530 9.851 454 2HD1 LEU 60 2HD1 LEU 60 -4.243 -0.860 10.396 455 3HD1 LEU 60 3HD1 LEU 60 -3.991 -0.588 8.660 456 1HD2 LEU 60 1HD2 LEU 60 -6.156 2.500 8.557 457 2HD2 LEU 60 2HD2 LEU 60 -4.400 2.406 8.667 458 3HD2 LEU 60 3HD2 LEU 60 -5.268 1.357 7.518 459 H GLU 61 H GLU 61 -10.078 0.629 10.824 460 HA GLU 61 HA GLU 61 -10.291 -2.022 11.668 461 1HB GLU 61 1HB GLU 61 -12.391 0.180 11.631 462 2HB GLU 61 2HB GLU 61 -12.551 -1.348 12.509 463 1HG GLU 61 1HG GLU 61 -10.458 -0.818 13.771 464 2HG GLU 61 2HG GLU 61 -10.400 0.760 12.980 465 H GLY 62 H GLY 62 -11.943 -0.561 8.828 466 1HA GLY 62 1HA GLY 62 -13.544 -3.009 8.509 467 2HA GLY 62 2HA GLY 62 -13.778 -1.457 7.701 468 H HIS 63 H HIS 63 -10.477 -2.613 7.707 469 HA HIS 63 HA HIS 63 -10.412 -3.064 4.846 470 1HB HIS 63 1HB HIS 63 -8.368 -2.404 5.982 471 2HB HIS 63 2HB HIS 63 -8.529 -3.729 7.140 472 HD1 HIS 63 HD1 HIS 63 -7.930 -3.405 3.272 473 HD2 HIS 63 HD2 HIS 63 -7.215 -5.906 6.590 474 HE1 HIS 63 HE1 HIS 63 -6.639 -5.381 2.410 475 H CYS 64 H CYS 64 -10.421 -5.046 3.787 476 HA CYS 64 HA CYS 64 -10.715 -7.539 5.375 477 1HB CYS 64 1HB CYS 64 -12.367 -6.659 2.970 478 2HB CYS 64 2HB CYS 64 -12.277 -8.335 3.548 479 HG CYS 64 HG CYS 64 -14.554 -7.259 4.279 480 H ALA 65 H ALA 65 -9.042 -8.802 4.820 481 HA ALA 65 HA ALA 65 -7.166 -8.057 2.859 482 1HB ALA 65 1HB ALA 65 -7.639 -10.665 4.316 483 2HB ALA 65 2HB ALA 65 -6.169 -10.310 3.376 484 3HB ALA 65 3HB ALA 65 -6.566 -9.348 4.814 485 H ARG 66 H ARG 66 -6.420 -9.192 0.995 486 HA ARG 66 HA ARG 66 -8.507 -10.614 -0.610 487 1HB ARG 66 1HB ARG 66 -7.378 -7.822 -1.140 488 2HB ARG 66 2HB ARG 66 -8.015 -8.836 -2.439 489 1HG ARG 66 1HG ARG 66 -10.190 -8.939 -1.426 490 2HG ARG 66 2HG ARG 66 -9.633 -8.089 0.018 491 1HD ARG 66 1HD ARG 66 -9.567 -6.812 -2.736 492 2HD ARG 66 2HD ARG 66 -10.968 -6.736 -1.654 493 HE ARG 66 HE ARG 66 -8.366 -5.867 -0.542 494 1HH1 ARG 66 2HH2 ARG 66 -11.396 -4.738 -2.083 495 2HH1 ARG 66 1HH2 ARG 66 -11.187 -3.125 -1.421 496 1HH2 ARG 66 2HH1 ARG 66 -8.326 -3.762 0.417 497 2HH2 ARG 66 1HH1 ARG 66 -9.565 -2.599 -0.077 498 H GLN 67 H GLN 67 -7.389 -12.267 -1.555 499 HA GLN 67 HA GLN 67 -4.505 -12.162 -1.985 500 1HB GLN 67 1HB GLN 67 -5.627 -14.311 -1.568 501 2HB GLN 67 2HB GLN 67 -6.688 -14.069 -2.961 502 1HG GLN 67 1HG GLN 67 -4.843 -15.648 -3.435 503 2HG GLN 67 2HG GLN 67 -4.816 -14.251 -4.495 504 1HE2 GLN 67 1HE2 GLN 67 -2.687 -13.685 -4.899 505 2HE2 GLN 67 2HE2 GLN 67 -1.383 -13.815 -3.707 506 H ILE 68 H ILE 68 -3.595 -10.995 -3.490 507 HA ILE 68 HA ILE 68 -5.122 -9.767 -5.584 508 HB ILE 68 HB ILE 68 -3.023 -8.847 -4.558 509 1HG1 ILE 68 1HG1 ILE 68 -3.092 -9.040 -7.597 510 2HG1 ILE 68 2HG1 ILE 68 -4.161 -8.029 -6.619 511 1HG2 ILE 68 1HG2 ILE 68 -1.509 -10.618 -6.515 512 2HG2 ILE 68 2HG2 ILE 68 -0.855 -9.545 -5.262 513 3HG2 ILE 68 3HG2 ILE 68 -1.702 -11.031 -4.805 514 1HD1 ILE 68 1HD1 ILE 68 -2.236 -6.802 -5.733 515 2HD1 ILE 68 2HD1 ILE 68 -1.144 -7.749 -6.777 516 3HD1 ILE 68 3HD1 ILE 68 -2.363 -6.676 -7.497 517 H SER 69 H SER 69 -5.166 -10.247 -7.740 518 HA SER 69 HA SER 69 -4.272 -12.899 -8.696 519 1HB SER 69 1HB SER 69 -6.560 -13.366 -9.483 520 2HB SER 69 2HB SER 69 -6.571 -13.121 -7.721 521 HG SER 69 HG SER 69 -8.248 -11.970 -8.660 522 H ARG 70 H ARG 70 -4.485 -12.848 -11.223 523 HA ARG 70 HA ARG 70 -3.460 -10.389 -12.216 524 1HB ARG 70 1HB ARG 70 -3.084 -12.601 -13.255 525 2HB ARG 70 2HB ARG 70 -4.772 -12.658 -13.783 526 1HG ARG 70 1HG ARG 70 -4.445 -10.763 -15.250 527 2HG ARG 70 2HG ARG 70 -2.833 -10.442 -14.589 528 1HD ARG 70 1HD ARG 70 -2.014 -12.569 -15.485 529 2HD ARG 70 2HD ARG 70 -3.628 -12.953 -16.117 530 HE ARG 70 HE ARG 70 -3.125 -10.539 -17.279 531 1HH1 ARG 70 1HH2 ARG 70 -1.237 -13.548 -17.179 532 2HH1 ARG 70 2HH2 ARG 70 -0.522 -13.306 -18.728 533 1HH2 ARG 70 1HH1 ARG 70 -2.224 -10.217 -19.297 534 2HH2 ARG 70 2HH1 ARG 70 -1.090 -11.352 -19.977 535 H ARG 71 H ARG 71 -6.848 -11.555 -12.016 536 HA ARG 71 HA ARG 71 -8.063 -9.390 -13.420 537 1HB ARG 71 1HB ARG 71 -9.016 -10.986 -11.000 538 2HB ARG 71 2HB ARG 71 -10.004 -9.815 -11.882 539 1HG ARG 71 1HG ARG 71 -9.778 -11.138 -13.959 540 2HG ARG 71 2HG ARG 71 -8.747 -12.304 -13.119 541 1HD ARG 71 1HD ARG 71 -10.981 -13.195 -13.283 542 2HD ARG 71 2HD ARG 71 -10.607 -12.880 -11.595 543 HE ARG 71 HE ARG 71 -12.433 -11.337 -13.383 544 1HH1 ARG 71 1HH2 ARG 71 -11.340 -11.978 -10.060 545 2HH1 ARG 71 2HH2 ARG 71 -12.598 -11.059 -9.324 546 1HH2 ARG 71 1HH1 ARG 71 -14.106 -10.127 -12.399 547 2HH2 ARG 71 2HH1 ARG 71 -14.208 -9.992 -10.686 548 H LEU 72 H LEU 72 -7.320 -9.629 -9.854 549 HA LEU 72 HA LEU 72 -8.130 -6.962 -9.344 550 1HB LEU 72 1HB LEU 72 -6.507 -9.005 -7.870 551 2HB LEU 72 2HB LEU 72 -6.201 -7.309 -7.474 552 HG LEU 72 HG LEU 72 -8.591 -6.927 -7.115 553 1HD1 LEU 72 1HD1 LEU 72 -8.871 -9.957 -7.306 554 2HD1 LEU 72 2HD1 LEU 72 -10.126 -8.834 -6.744 555 3HD1 LEU 72 3HD1 LEU 72 -9.584 -8.774 -8.423 556 1HD2 LEU 72 1HD2 LEU 72 -8.683 -8.007 -4.902 557 2HD2 LEU 72 2HD2 LEU 72 -7.408 -9.145 -5.383 558 3HD2 LEU 72 3HD2 LEU 72 -7.051 -7.408 -5.229 559 H CYS 73 H CYS 73 -4.857 -8.228 -10.249 560 HA CYS 73 HA CYS 73 -3.469 -5.859 -9.901 561 1HB CYS 73 1HB CYS 73 -3.155 -7.877 -12.183 562 2HB CYS 73 2HB CYS 73 -1.958 -6.652 -11.746 563 HG CYS 73 HG CYS 73 -1.492 -7.485 -9.342 564 H ARG 74 H ARG 74 -5.555 -6.774 -12.694 565 HA ARG 74 HA ARG 74 -4.797 -4.272 -14.084 566 1HB ARG 74 1HB ARG 74 -6.585 -6.604 -14.872 567 2HB ARG 74 2HB ARG 74 -6.156 -5.253 -15.929 568 1HG ARG 74 1HG ARG 74 -3.779 -5.830 -15.830 569 2HG ARG 74 2HG ARG 74 -4.084 -7.136 -14.686 570 1HD ARG 74 1HD ARG 74 -5.077 -7.018 -17.552 571 2HD ARG 74 2HD ARG 74 -3.746 -8.006 -16.917 572 HE ARG 74 HE ARG 74 -5.976 -8.645 -15.370 573 1HH1 ARG 74 1HH2 ARG 74 -4.818 -9.115 -18.706 574 2HH1 ARG 74 2HH2 ARG 74 -6.002 -10.320 -19.092 575 1HH2 ARG 74 1HH1 ARG 74 -7.544 -10.295 -15.897 576 2HH2 ARG 74 2HH1 ARG 74 -7.498 -11.069 -17.432 577 H ASN 75 H ASN 75 -7.304 -5.307 -11.922 578 HA ASN 75 HA ASN 75 -9.449 -3.696 -12.855 579 1HB ASN 75 1HB ASN 75 -9.697 -5.524 -11.204 580 2HB ASN 75 2HB ASN 75 -8.778 -4.589 -10.020 581 1HD2 ASN 75 2HD2 ASN 75 -9.914 -3.076 -8.747 582 2HD2 ASN 75 1HD2 ASN 75 -11.595 -2.683 -9.005 583 H TYR 76 H TYR 76 -6.491 -2.836 -11.192 584 HA TYR 76 HA TYR 76 -7.511 -0.055 -10.888 585 1HB TYR 76 1HB TYR 76 -5.320 -1.296 -9.217 586 2HB TYR 76 2HB TYR 76 -6.081 0.265 -8.985 587 HD1 TYR 76 HD1 TYR 76 -6.559 -3.379 -8.745 588 HD2 TYR 76 HD2 TYR 76 -8.156 0.450 -7.634 589 HE1 TYR 76 HE1 TYR 76 -8.158 -4.508 -7.234 590 HE2 TYR 76 HE2 TYR 76 -9.796 -0.646 -6.172 591 HH TYR 76 HH TYR 76 -10.623 -2.702 -5.353 592 H ASP 77 H ASP 77 -5.906 1.627 -11.397 593 HA ASP 77 HA ASP 77 -4.530 0.728 -13.852 594 1HB ASP 77 1HB ASP 77 -6.124 2.591 -13.944 595 2HB ASP 77 2HB ASP 77 -5.161 3.492 -12.768 596 H LEU 78 H LEU 78 -3.674 1.732 -10.612 597 HA LEU 78 HA LEU 78 -0.810 1.913 -11.378 598 1HB LEU 78 1HB LEU 78 -2.223 4.166 -11.187 599 2HB LEU 78 2HB LEU 78 -2.117 3.883 -9.466 600 HG LEU 78 HG LEU 78 -0.475 5.476 -10.339 601 1HD1 LEU 78 1HD1 LEU 78 1.024 3.034 -9.329 602 2HD1 LEU 78 2HD1 LEU 78 1.454 4.744 -9.160 603 3HD1 LEU 78 3HD1 LEU 78 0.043 4.117 -8.310 604 1HD2 LEU 78 1HD2 LEU 78 1.257 4.968 -11.851 605 2HD2 LEU 78 2HD2 LEU 78 0.972 3.216 -11.763 606 3HD2 LEU 78 3HD2 LEU 78 -0.192 4.279 -12.581 607 H ILE 79 H ILE 79 0.469 0.848 -9.872 608 HA ILE 79 HA ILE 79 -0.977 -0.269 -7.511 609 HB ILE 79 HB ILE 79 1.014 -1.707 -9.288 610 1HG1 ILE 79 1HG1 ILE 79 -1.014 -1.374 -10.612 611 2HG1 ILE 79 2HG1 ILE 79 -0.733 -3.055 -10.223 612 1HG2 ILE 79 1HG2 ILE 79 1.027 -2.565 -7.017 613 2HG2 ILE 79 2HG2 ILE 79 -0.742 -2.678 -7.005 614 3HG2 ILE 79 3HG2 ILE 79 0.215 -3.730 -8.067 615 1HD1 ILE 79 1HD1 ILE 79 -2.723 -1.302 -8.722 616 2HD1 ILE 79 2HD1 ILE 79 -3.128 -2.361 -10.078 617 3HD1 ILE 79 3HD1 ILE 79 -2.514 -3.064 -8.574 618 H LEU 80 H LEU 80 0.173 -0.219 -5.619 619 HA LEU 80 HA LEU 80 3.010 0.740 -5.708 620 1HB LEU 80 1HB LEU 80 0.854 1.418 -3.661 621 2HB LEU 80 2HB LEU 80 2.559 1.766 -3.495 622 HG LEU 80 HG LEU 80 1.546 3.784 -4.058 623 1HD1 LEU 80 1HD1 LEU 80 2.704 2.824 -6.699 624 2HD1 LEU 80 2HD1 LEU 80 2.586 4.487 -6.116 625 3HD1 LEU 80 3HD1 LEU 80 3.663 3.342 -5.296 626 1HD2 LEU 80 1HD2 LEU 80 0.180 2.617 -6.486 627 2HD2 LEU 80 2HD2 LEU 80 -0.582 2.879 -4.906 628 3HD2 LEU 80 3HD2 LEU 80 0.046 4.256 -5.826 629 H THR 81 H THR 81 4.374 -0.252 -4.123 630 HA THR 81 HA THR 81 3.170 -2.295 -2.408 631 HB THR 81 HB THR 81 3.396 -3.367 -4.623 632 HG1 THR 81 1HG THR 81 3.548 -4.511 -2.698 633 1HG2 THR 81 1HG2 THR 81 6.401 -2.973 -4.289 634 2HG2 THR 81 2HG2 THR 81 5.581 -3.942 -5.532 635 3HG2 THR 81 3HG2 THR 81 5.384 -2.186 -5.515 636 H MET 82 H MET 82 5.021 -3.418 -1.083 637 HA MET 82 HA MET 82 6.284 -1.093 0.182 638 1HB MET 82 1HB MET 82 5.618 -3.960 0.949 639 2HB MET 82 2HB MET 82 6.677 -2.991 1.944 640 1HG MET 82 1HG MET 82 4.369 -3.047 2.728 641 2HG MET 82 2HG MET 82 4.969 -1.419 2.477 642 1HE MET 82 1HE MET 82 4.375 -0.064 0.159 643 2HE MET 82 2HE MET 82 2.631 0.161 -0.028 644 3HE MET 82 3HE MET 82 3.384 0.385 1.560 645 H GLU 83 H GLU 83 7.339 -3.960 -1.641 646 HA GLU 83 HA GLU 83 10.179 -3.313 -0.973 647 1HB GLU 83 1HB GLU 83 8.828 -6.042 -0.732 648 2HB GLU 83 2HB GLU 83 10.556 -5.736 -0.577 649 1HG GLU 83 1HG GLU 83 10.146 -4.323 1.420 650 2HG GLU 83 2HG GLU 83 8.407 -4.599 1.272 651 H LYS 84 H LYS 84 11.699 -4.145 -2.586 652 HA LYS 84 HA LYS 84 10.573 -3.927 -5.239 653 1HB LYS 84 1HB LYS 84 13.387 -4.606 -4.288 654 2HB LYS 84 2HB LYS 84 12.917 -4.436 -5.986 655 1HG LYS 84 1HG LYS 84 12.068 -2.112 -5.464 656 2HG LYS 84 2HG LYS 84 12.778 -2.264 -3.849 657 1HD LYS 84 1HD LYS 84 15.020 -2.507 -4.814 658 2HD LYS 84 2HD LYS 84 14.337 -2.559 -6.455 659 1HE LYS 84 1HE LYS 84 13.404 -0.256 -6.103 660 2HE LYS 84 2HE LYS 84 14.226 -0.184 -4.537 661 1HZ LYS 84 1HZ LYS 84 15.453 0.887 -6.378 662 2HZ LYS 84 2HZ LYS 84 16.331 -0.319 -5.682 663 3HZ LYS 84 3HZ LYS 84 15.610 -0.549 -7.133 664 H ARG 85 H ARG 85 11.537 -6.732 -3.241 665 HA ARG 85 HA ARG 85 11.266 -8.687 -5.283 666 1HB ARG 85 1HB ARG 85 10.697 -10.267 -3.447 667 2HB ARG 85 2HB ARG 85 12.190 -9.368 -3.194 668 1HG ARG 85 1HG ARG 85 11.174 -7.948 -1.529 669 2HG ARG 85 2HG ARG 85 9.556 -8.552 -1.904 670 1HD ARG 85 1HD ARG 85 10.186 -10.797 -1.105 671 2HD ARG 85 2HD ARG 85 11.812 -10.205 -0.710 672 HE ARG 85 HE ARG 85 10.500 -8.481 0.755 673 1HH1 ARG 85 1HH2 ARG 85 9.802 -11.961 0.539 674 2HH1 ARG 85 2HH2 ARG 85 9.005 -12.011 2.066 675 1HH2 ARG 85 1HH1 ARG 85 9.403 -8.494 2.624 676 2HH2 ARG 85 2HH1 ARG 85 8.812 -9.974 3.341 677 H HIS 86 H HIS 86 8.749 -6.800 -3.621 678 HA HIS 86 HA HIS 86 6.609 -8.619 -4.452 679 1HB HIS 86 1HB HIS 86 6.454 -5.748 -3.517 680 2HB HIS 86 2HB HIS 86 5.115 -6.873 -3.681 681 HD1 HIS 86 HD1 HIS 86 7.327 -9.059 -1.939 682 HD2 HIS 86 HD2 HIS 86 5.299 -5.501 -1.003 683 HE1 HIS 86 HE1 HIS 86 7.210 -8.938 0.599 684 H ILE 87 H ILE 87 8.222 -5.642 -5.696 685 HA ILE 87 HA ILE 87 6.372 -5.062 -7.781 686 HB ILE 87 HB ILE 87 9.405 -4.726 -7.836 687 1HG1 ILE 87 1HG1 ILE 87 7.301 -2.719 -6.917 688 2HG1 ILE 87 2HG1 ILE 87 8.373 -3.615 -5.842 689 1HG2 ILE 87 1HG2 ILE 87 8.219 -4.460 -10.065 690 2HG2 ILE 87 2HG2 ILE 87 7.336 -3.099 -9.342 691 3HG2 ILE 87 3HG2 ILE 87 9.097 -3.043 -9.519 692 1HD1 ILE 87 1HD1 ILE 87 9.114 -1.439 -7.805 693 2HD1 ILE 87 2HD1 ILE 87 9.353 -1.523 -6.051 694 3HD1 ILE 87 3HD1 ILE 87 10.329 -2.547 -7.119 695 H GLU 88 H GLU 88 9.263 -7.229 -7.651 696 HA GLU 88 HA GLU 88 9.079 -8.098 -10.336 697 1HB GLU 88 1HB GLU 88 11.035 -8.378 -8.830 698 2HB GLU 88 2HB GLU 88 10.156 -9.610 -7.915 699 1HG GLU 88 1HG GLU 88 10.027 -11.039 -9.926 700 2HG GLU 88 2HG GLU 88 10.801 -9.780 -10.891 701 H ARG 89 H ARG 89 7.577 -9.443 -7.349 702 HA ARG 89 HA ARG 89 6.321 -11.659 -8.685 703 1HB ARG 89 1HB ARG 89 5.710 -10.225 -6.072 704 2HB ARG 89 2HB ARG 89 4.857 -11.677 -6.624 705 1HG ARG 89 1HG ARG 89 6.932 -12.968 -6.654 706 2HG ARG 89 2HG ARG 89 7.876 -11.541 -6.206 707 1HD ARG 89 1HD ARG 89 6.648 -11.394 -4.059 708 2HD ARG 89 2HD ARG 89 5.716 -12.843 -4.505 709 HE ARG 89 HE ARG 89 8.539 -13.336 -4.666 710 1HH1 ARG 89 1HH2 ARG 89 5.926 -13.029 -2.281 711 2HH1 ARG 89 2HH2 ARG 89 6.702 -14.015 -1.097 712 1HH2 ARG 89 1HH1 ARG 89 9.572 -14.646 -3.089 713 2HH2 ARG 89 2HH1 ARG 89 8.821 -14.955 -1.572 714 H LEU 90 H LEU 90 5.208 -8.271 -8.101 715 HA LEU 90 HA LEU 90 2.576 -8.686 -9.126 716 1HB LEU 90 1HB LEU 90 4.319 -6.365 -8.497 717 2HB LEU 90 2HB LEU 90 3.300 -6.079 -9.886 718 HG LEU 90 HG LEU 90 2.254 -5.235 -7.899 719 1HD1 LEU 90 1HD1 LEU 90 0.836 -6.131 -9.745 720 2HD1 LEU 90 2HD1 LEU 90 0.682 -7.658 -8.850 721 3HD1 LEU 90 3HD1 LEU 90 0.058 -6.150 -8.158 722 1HD2 LEU 90 1HD2 LEU 90 3.237 -6.782 -6.244 723 2HD2 LEU 90 2HD2 LEU 90 1.489 -6.617 -6.078 724 3HD2 LEU 90 3HD2 LEU 90 2.166 -8.076 -6.828 725 H CYS 91 H CYS 91 5.676 -7.851 -10.748 726 HA CYS 91 HA CYS 91 4.534 -7.502 -13.345 727 1HB CYS 91 1HB CYS 91 7.346 -8.386 -12.544 728 2HB CYS 91 2HB CYS 91 6.848 -7.856 -14.159 729 HG CYS 91 HG CYS 91 6.731 -6.187 -11.297 730 H GLU 92 H GLU 92 5.777 -10.419 -11.617 731 HA GLU 92 HA GLU 92 5.416 -12.200 -13.805 732 1HB GLU 92 1HB GLU 92 6.830 -12.625 -11.813 733 2HB GLU 92 2HB GLU 92 5.381 -12.775 -10.811 734 1HG GLU 92 1HG GLU 92 4.640 -14.721 -12.132 735 2HG GLU 92 2HG GLU 92 6.012 -14.525 -13.226 736 H MET 93 H MET 93 3.224 -11.228 -11.101 737 HA MET 93 HA MET 93 1.104 -13.017 -11.748 738 1HB MET 93 1HB MET 93 1.200 -10.350 -10.286 739 2HB MET 93 2HB MET 93 -0.296 -11.246 -10.491 740 1HG MET 93 1HG MET 93 2.192 -12.392 -9.179 741 2HG MET 93 2HG MET 93 0.875 -11.631 -8.298 742 1HE MET 93 1HE MET 93 -1.812 -12.668 -9.520 743 2HE MET 93 2HE MET 93 -2.050 -14.145 -8.561 744 3HE MET 93 3HE MET 93 -1.410 -12.682 -7.786 745 H ALA 94 H ALA 94 1.806 -9.675 -12.892 746 HA ALA 94 HA ALA 94 -0.095 -10.117 -15.135 747 1HB ALA 94 1HB ALA 94 -1.148 -7.926 -14.716 748 2HB ALA 94 2HB ALA 94 -1.417 -9.047 -13.364 749 3HB ALA 94 3HB ALA 94 -0.211 -7.755 -13.212 750 HA PRO 95 HA PRO 95 3.904 -8.335 -16.613 751 1HB PRO 95 1HB PRO 95 2.698 -9.447 -19.146 752 2HB PRO 95 2HB PRO 95 4.408 -9.457 -18.604 753 1HG PRO 95 1HG PRO 95 2.879 -11.692 -18.369 754 2HG PRO 95 2HG PRO 95 3.978 -11.205 -17.036 755 1HD PRO 95 1HD PRO 95 0.991 -10.778 -17.258 756 2HD PRO 95 2HD PRO 95 1.961 -11.307 -15.848 757 H GLU 96 H GLU 96 0.546 -7.963 -17.817 758 HA GLU 96 HA GLU 96 0.906 -5.671 -19.425 759 1HB GLU 96 1HB GLU 96 -1.456 -6.477 -17.663 760 2HB GLU 96 2HB GLU 96 -1.515 -5.301 -18.989 761 1HG GLU 96 1HG GLU 96 -0.882 -7.063 -20.602 762 2HG GLU 96 2HG GLU 96 -0.746 -8.231 -19.282 763 H MET 97 H MET 97 0.962 -6.040 -15.964 764 HA MET 97 HA MET 97 0.793 -3.106 -15.495 765 1HB MET 97 1HB MET 97 0.663 -5.410 -13.509 766 2HB MET 97 2HB MET 97 0.480 -3.702 -13.126 767 1HG MET 97 1HG MET 97 -1.369 -5.377 -14.858 768 2HG MET 97 2HG MET 97 -1.697 -4.784 -13.240 769 1HE MET 97 1HE MET 97 -2.532 -2.366 -12.645 770 2HE MET 97 2HE MET 97 -0.926 -1.793 -13.117 771 3HE MET 97 3HE MET 97 -2.379 -0.985 -13.741 772 H ARG 98 H ARG 98 3.211 -5.136 -16.350 773 HA ARG 98 HA ARG 98 5.279 -4.577 -14.445 774 1HB ARG 98 1HB ARG 98 5.432 -6.262 -16.256 775 2HB ARG 98 2HB ARG 98 5.387 -4.973 -17.468 776 1HG ARG 98 1HG ARG 98 7.560 -4.114 -16.680 777 2HG ARG 98 2HG ARG 98 7.570 -5.299 -15.366 778 1HD ARG 98 1HD ARG 98 8.987 -6.118 -17.150 779 2HD ARG 98 2HD ARG 98 7.548 -7.144 -17.024 780 HE ARG 98 HE ARG 98 7.379 -4.951 -18.971 781 1HH1 ARG 98 1HH2 ARG 98 8.296 -8.353 -18.527 782 2HH1 ARG 98 2HH2 ARG 98 8.088 -8.772 -20.186 783 1HH2 ARG 98 1HH1 ARG 98 7.093 -5.510 -21.180 784 2HH2 ARG 98 2HH1 ARG 98 7.401 -7.113 -21.726 785 H GLY 99 H GLY 99 6.252 -2.642 -13.989 786 1HA GLY 99 1HA GLY 99 6.986 -0.476 -14.248 787 2HA GLY 99 2HA GLY 99 6.353 -0.443 -15.897 788 H LYS 100 H LYS 100 3.682 -1.465 -14.263 789 HA LYS 100 HA LYS 100 2.711 1.277 -13.609 790 1HB LYS 100 1HB LYS 100 1.175 -1.340 -13.794 791 2HB LYS 100 2HB LYS 100 0.479 0.252 -13.558 792 1HG LYS 100 1HG LYS 100 1.967 -0.665 -16.063 793 2HG LYS 100 2HG LYS 100 0.226 -0.648 -15.879 794 1HD LYS 100 1HD LYS 100 1.995 1.833 -15.733 795 2HD LYS 100 2HD LYS 100 1.162 1.292 -17.179 796 1HE LYS 100 1HE LYS 100 -0.226 2.073 -14.572 797 2HE LYS 100 2HE LYS 100 -0.018 3.138 -15.964 798 1HZ LYS 100 1HZ LYS 100 -2.208 2.078 -15.921 799 2HZ LYS 100 2HZ LYS 100 -1.382 1.643 -17.270 800 3HZ LYS 100 3HZ LYS 100 -1.539 0.603 -16.007 801 H VAL 101 H VAL 101 3.956 -1.614 -12.147 802 HA VAL 101 HA VAL 101 2.948 -0.834 -9.500 803 HB VAL 101 HB VAL 101 2.872 -3.154 -9.954 804 1HG1 VAL 101 1HG1 VAL 101 4.331 -3.639 -11.711 805 2HG1 VAL 101 2HG1 VAL 101 5.747 -2.992 -10.871 806 3HG1 VAL 101 3HG1 VAL 101 5.009 -4.510 -10.339 807 1HG2 VAL 101 1HG2 VAL 101 4.205 -4.049 -8.096 808 2HG2 VAL 101 2HG2 VAL 101 5.245 -2.627 -8.118 809 3HG2 VAL 101 3HG2 VAL 101 3.532 -2.471 -7.668 810 H MET 102 H MET 102 4.283 0.124 -7.917 811 HA MET 102 HA MET 102 7.149 0.523 -8.557 812 1HB MET 102 1HB MET 102 5.167 2.800 -8.055 813 2HB MET 102 2HB MET 102 6.910 2.953 -7.846 814 1HG MET 102 1HG MET 102 6.829 3.677 -9.966 815 2HG MET 102 2HG MET 102 7.036 1.955 -10.262 816 1HE MET 102 1HE MET 102 3.201 4.448 -10.968 817 2HE MET 102 2HE MET 102 3.796 4.163 -9.323 818 3HE MET 102 3HE MET 102 4.780 5.089 -10.487 819 H LEU 103 H LEU 103 8.419 1.203 -6.755 820 HA LEU 103 HA LEU 103 7.632 0.028 -4.256 821 1HB LEU 103 1HB LEU 103 10.045 0.321 -5.184 822 2HB LEU 103 2HB LEU 103 9.891 2.021 -4.795 823 HG LEU 103 HG LEU 103 9.492 1.380 -2.377 824 1HD1 LEU 103 1HD1 LEU 103 8.681 -0.930 -2.648 825 2HD1 LEU 103 2HD1 LEU 103 10.217 -1.405 -3.405 826 3HD1 LEU 103 3HD1 LEU 103 10.159 -0.925 -1.696 827 1HD2 LEU 103 1HD2 LEU 103 11.709 2.053 -3.212 828 2HD2 LEU 103 2HD2 LEU 103 11.848 0.840 -1.932 829 3HD2 LEU 103 3HD2 LEU 103 12.078 0.365 -3.628 830 H PHE 104 H PHE 104 6.442 0.993 -2.636 831 HA PHE 104 HA PHE 104 5.388 3.549 -3.005 832 1HB PHE 104 1HB PHE 104 4.518 1.585 -1.618 833 2HB PHE 104 2HB PHE 104 5.596 2.117 -0.330 834 HD1 PHE 104 HD1 PHE 104 4.234 3.057 1.368 835 HD2 PHE 104 HD2 PHE 104 3.331 3.947 -2.743 836 HE1 PHE 104 HE1 PHE 104 2.294 4.450 2.084 837 HE2 PHE 104 HE2 PHE 104 1.443 5.346 -2.043 838 HZ PHE 104 HZ PHE 104 0.856 5.539 0.361 839 H GLY 105 H GLY 105 8.271 2.565 -1.151 840 1HA GLY 105 1HA GLY 105 8.672 5.263 -0.074 841 2HA GLY 105 2HA GLY 105 9.704 3.858 0.161 842 H HIS 106 H HIS 106 8.836 4.561 -3.177 843 HA HIS 106 HA HIS 106 11.421 4.756 -4.142 844 1HB HIS 106 1HB HIS 106 9.650 4.334 -5.631 845 2HB HIS 106 2HB HIS 106 8.787 5.804 -5.170 846 HD1 HIS 106 HD1 HIS 106 12.000 4.819 -7.189 847 HD2 HIS 106 HD2 HIS 106 9.225 7.953 -6.576 848 HE1 HIS 106 HE1 HIS 106 12.519 6.598 -8.916 849 H TRP 107 H TRP 107 9.264 7.502 -3.231 850 HA TRP 107 HA TRP 107 10.994 9.562 -4.033 851 1HB TRP 107 1HB TRP 107 9.115 9.701 -1.652 852 2HB TRP 107 2HB TRP 107 9.600 11.008 -2.722 853 HD1 TRP 107 HD1 TRP 107 7.006 8.371 -2.238 854 HE1 TRP 107 HE1 TRP 107 5.295 8.388 -4.102 855 HE3 TRP 107 HE3 TRP 107 9.434 11.473 -5.527 856 HZ2 TRP 107 HZ2 TRP 107 4.968 9.615 -6.715 857 HZ3 TRP 107 HZ3 TRP 107 8.390 12.033 -7.708 858 HH2 TRP 107 HH2 TRP 107 6.151 11.112 -8.304 859 H ASP 108 H ASP 108 10.956 7.667 -1.036 860 HA ASP 108 HA ASP 108 12.967 9.396 0.266 861 1HB ASP 108 1HB ASP 108 11.002 8.451 1.520 862 2HB ASP 108 2HB ASP 108 11.654 6.831 1.256 863 H ASN 109 H ASN 109 14.079 8.754 -1.937 864 HA ASN 109 HA ASN 109 15.840 7.712 -2.937 865 1HB ASN 109 1HB ASN 109 16.895 8.888 -1.053 866 2HB ASN 109 2HB ASN 109 16.704 7.453 -0.044 867 1HD2 ASN 109 2HD2 ASN 109 18.837 7.033 0.337 868 2HD2 ASN 109 1HD2 ASN 109 20.005 6.608 -0.895 869 H GLU 110 H GLU 110 13.720 6.078 -2.906 870 HA GLU 110 HA GLU 110 12.918 3.998 -2.887 871 1HB GLU 110 1HB GLU 110 15.673 3.263 -3.923 872 2HB GLU 110 2HB GLU 110 14.151 2.386 -4.166 873 1HG GLU 110 1HG GLU 110 13.311 4.695 -5.121 874 2HG GLU 110 2HG GLU 110 15.029 5.014 -5.348 875 H CYS 111 H CYS 111 13.583 4.615 -0.290 876 HA CYS 111 HA CYS 111 14.758 2.311 1.022 877 1HB CYS 111 1HB CYS 111 12.833 4.512 1.844 878 2HB CYS 111 2HB CYS 111 13.272 3.178 2.940 879 HG CYS 111 HG CYS 111 15.111 5.462 1.473 880 H GLU 112 H GLU 112 13.892 0.279 1.066 881 HA GLU 112 HA GLU 112 11.134 -0.251 0.241 882 1HB GLU 112 1HB GLU 112 13.257 -2.015 1.554 883 2HB GLU 112 2HB GLU 112 11.694 -2.572 0.941 884 1HG GLU 112 1HG GLU 112 12.316 -1.851 -1.346 885 2HG GLU 112 2HG GLU 112 13.886 -1.299 -0.762 886 H ILE 113 H ILE 113 9.453 -0.911 1.699 887 HA ILE 113 HA ILE 113 9.586 0.468 4.265 888 HB ILE 113 HB ILE 113 7.386 -1.336 3.235 889 1HG1 ILE 113 1HG1 ILE 113 7.703 0.317 1.474 890 2HG1 ILE 113 2HG1 ILE 113 6.209 0.602 2.332 891 1HG2 ILE 113 1HG2 ILE 113 7.335 0.956 5.241 892 2HG2 ILE 113 2HG2 ILE 113 5.935 0.008 4.700 893 3HG2 ILE 113 3HG2 ILE 113 7.223 -0.772 5.608 894 1HD1 ILE 113 1HD1 ILE 113 7.206 2.503 3.528 895 2HD1 ILE 113 2HD1 ILE 113 8.780 2.191 2.749 896 3HD1 ILE 113 3HD1 ILE 113 7.383 2.693 1.780 897 HA PRO 114 HA PRO 114 11.022 -3.307 6.413 898 1HB PRO 114 1HB PRO 114 9.663 -2.053 8.777 899 2HB PRO 114 2HB PRO 114 11.316 -2.711 8.647 900 1HG PRO 114 1HG PRO 114 10.861 -0.018 8.658 901 2HG PRO 114 2HG PRO 114 12.120 -0.747 7.610 902 1HD PRO 114 1HD PRO 114 9.338 0.156 6.847 903 2HD PRO 114 2HD PRO 114 10.883 0.360 5.974 904 H ASP 115 H ASP 115 9.906 -5.026 7.870 905 HA ASP 115 HA ASP 115 7.037 -5.318 7.067 906 1HB ASP 115 1HB ASP 115 8.337 -6.850 5.804 907 2HB ASP 115 2HB ASP 115 9.225 -7.384 7.238 908 HA PRO 116 HA PRO 116 7.089 -5.398 11.617 909 1HB PRO 116 1HB PRO 116 4.807 -4.090 12.141 910 2HB PRO 116 2HB PRO 116 6.151 -3.233 11.342 911 1HG PRO 116 1HG PRO 116 3.735 -4.523 10.023 912 2HG PRO 116 2HG PRO 116 4.351 -2.858 9.795 913 1HD PRO 116 1HD PRO 116 5.020 -4.985 8.149 914 2HD PRO 116 2HD PRO 116 6.130 -3.616 8.450 915 H TYR 117 H TYR 117 5.253 -7.308 9.482 916 HA TYR 117 HA TYR 117 2.914 -7.991 10.482 917 1HB TYR 117 1HB TYR 117 3.880 -8.845 8.454 918 2HB TYR 117 2HB TYR 117 5.062 -9.800 9.344 919 HD1 TYR 117 HD1 TYR 117 4.482 -11.934 10.308 920 HD2 TYR 117 HD2 TYR 117 1.500 -9.484 8.405 921 HE1 TYR 117 HE1 TYR 117 2.917 -13.853 10.331 922 HE2 TYR 117 HE2 TYR 117 -0.082 -11.405 8.384 923 HH TYR 117 HH TYR 117 -0.411 -13.641 8.973 924 H ARG 118 H ARG 118 5.921 -9.267 11.991 925 HA ARG 118 HA ARG 118 4.210 -10.380 14.169 926 1HB ARG 118 1HB ARG 118 5.719 -12.282 14.384 927 2HB ARG 118 2HB ARG 118 4.940 -12.229 12.810 928 1HG ARG 118 1HG ARG 118 7.006 -11.355 11.771 929 2HG ARG 118 2HG ARG 118 7.810 -11.329 13.357 930 1HD ARG 118 1HD ARG 118 7.536 -13.767 13.553 931 2HD ARG 118 2HD ARG 118 6.679 -13.813 11.997 932 HE ARG 118 HE ARG 118 9.127 -12.581 11.480 933 1HH1 ARG 118 1HH2 ARG 118 8.054 -15.760 12.638 934 2HH1 ARG 118 2HH2 ARG 118 9.410 -16.612 11.999 935 1HH2 ARG 118 1HH1 ARG 118 10.942 -13.714 10.628 936 2HH2 ARG 118 2HH1 ARG 118 11.085 -15.417 10.830 937 H LYS 119 H LYS 119 5.542 -7.734 13.960 938 HA LYS 119 HA LYS 119 7.586 -7.989 16.134 939 1HB LYS 119 1HB LYS 119 7.233 -5.833 14.011 940 2HB LYS 119 2HB LYS 119 8.504 -5.884 15.228 941 1HG LYS 119 1HG LYS 119 8.154 -7.896 12.960 942 2HG LYS 119 2HG LYS 119 9.310 -6.569 13.014 943 1HD LYS 119 1HD LYS 119 10.358 -7.578 15.053 944 2HD LYS 119 2HD LYS 119 9.265 -8.971 14.892 945 1HE LYS 119 1HE LYS 119 10.164 -9.426 12.629 946 2HE LYS 119 2HE LYS 119 11.228 -8.020 12.759 947 1HZ LYS 119 1HZ LYS 119 12.351 -9.113 14.607 948 2HZ LYS 119 2HZ LYS 119 11.370 -10.416 14.500 949 3HZ LYS 119 3HZ LYS 119 12.397 -10.061 13.287 950 H SER 120 H SER 120 7.756 -5.960 17.482 951 HA SER 120 HA SER 120 5.328 -5.579 18.875 952 1HB SER 120 1HB SER 120 7.826 -3.841 18.991 953 2HB SER 120 2HB SER 120 6.648 -4.123 20.286 954 HG SER 120 HG SER 120 8.532 -5.400 20.538 955 H ARG 121 H ARG 121 4.323 -3.419 19.417 956 HA ARG 121 HA ARG 121 3.380 -2.185 17.057 957 1HB ARG 121 1HB ARG 121 2.081 -0.740 18.354 958 2HB ARG 121 2HB ARG 121 2.094 -2.285 19.191 959 1HG ARG 121 1HG ARG 121 3.714 -1.404 20.834 960 2HG ARG 121 2HG ARG 121 3.787 0.145 19.980 961 1HD ARG 121 1HD ARG 121 1.262 -1.042 21.187 962 2HD ARG 121 2HD ARG 121 2.290 0.146 21.992 963 HE ARG 121 HE ARG 121 1.829 1.594 19.892 964 1HH1 ARG 121 1HH1 ARG 121 -0.567 -0.515 21.441 965 2HH1 ARG 121 2HH1 ARG 121 -1.908 0.495 21.060 966 1HH2 ARG 121 2HH2 ARG 121 0.058 2.966 19.420 967 2HH2 ARG 121 1HH2 ARG 121 -1.562 2.419 19.696 968 H GLU 122 H GLU 122 6.209 -1.358 18.995 969 HA GLU 122 HA GLU 122 6.572 1.288 18.021 970 1HB GLU 122 1HB GLU 122 7.804 0.129 19.913 971 2HB GLU 122 2HB GLU 122 8.686 -0.801 18.706 972 1HG GLU 122 1HG GLU 122 10.093 0.994 19.404 973 2HG GLU 122 2HG GLU 122 9.585 1.362 17.764 974 H THR 123 H THR 123 7.206 -1.912 16.538 975 HA THR 123 HA THR 123 8.758 -0.777 14.330 976 HB THR 123 HB THR 123 7.438 -3.514 14.518 977 HG1 THR 123 1HG THR 123 8.865 -3.166 16.279 978 1HG2 THR 123 1HG2 THR 123 9.258 -4.175 12.973 979 2HG2 THR 123 2HG2 THR 123 8.273 -2.894 12.255 980 3HG2 THR 123 3HG2 THR 123 9.857 -2.503 12.946 981 H PHE 124 H PHE 124 5.330 -1.808 14.941 982 HA PHE 124 HA PHE 124 4.401 -1.184 12.299 983 1HB PHE 124 1HB PHE 124 3.049 -1.327 15.001 984 2HB PHE 124 2HB PHE 124 2.197 -0.725 13.593 985 HD1 PHE 124 HD1 PHE 124 1.596 -2.156 11.709 986 HD2 PHE 124 HD2 PHE 124 3.636 -3.750 15.166 987 HE1 PHE 124 HE1 PHE 124 0.966 -4.456 11.032 988 HE2 PHE 124 HE2 PHE 124 2.985 -6.037 14.484 989 HZ PHE 124 HZ PHE 124 1.645 -6.402 12.430 990 H ALA 125 H ALA 125 4.950 0.913 15.195 991 HA ALA 125 HA ALA 125 3.794 3.245 14.021 992 1HB ALA 125 1HB ALA 125 5.937 3.033 16.176 993 2HB ALA 125 2HB ALA 125 4.937 4.451 15.812 994 3HB ALA 125 3HB ALA 125 4.179 2.977 16.446 995 H ALA 126 H ALA 126 7.208 2.057 14.061 996 HA ALA 126 HA ALA 126 8.316 4.228 12.580 997 1HB ALA 126 1HB ALA 126 9.117 1.278 12.586 998 2HB ALA 126 2HB ALA 126 10.110 2.635 12.016 999 3HB ALA 126 3HB ALA 126 9.679 2.516 13.734 1000 H VAL 127 H VAL 127 6.859 1.121 11.465 1001 HA VAL 127 HA VAL 127 7.160 1.691 8.684 1002 HB VAL 127 HB VAL 127 5.367 -0.174 10.278 1003 1HG1 VAL 127 1HG1 VAL 127 5.568 0.091 7.252 1004 2HG1 VAL 127 2HG1 VAL 127 4.948 -1.348 8.085 1005 3HG1 VAL 127 3HG1 VAL 127 4.105 0.196 8.253 1006 1HG2 VAL 127 1HG2 VAL 127 6.915 -1.871 9.456 1007 2HG2 VAL 127 2HG2 VAL 127 7.726 -0.692 8.411 1008 3HG2 VAL 127 3HG2 VAL 127 7.871 -0.584 10.176 1009 H TYR 128 H TYR 128 4.367 2.349 10.940 1010 HA TYR 128 HA TYR 128 2.674 3.444 8.978 1011 1HB TYR 128 1HB TYR 128 2.027 2.885 11.310 1012 2HB TYR 128 2HB TYR 128 2.949 4.262 11.901 1013 HD1 TYR 128 HD1 TYR 128 -0.250 3.138 10.715 1014 HD2 TYR 128 HD2 TYR 128 2.256 6.640 11.017 1015 HE1 TYR 128 HE1 TYR 128 -2.222 4.591 10.338 1016 HE2 TYR 128 HE2 TYR 128 0.326 8.081 10.567 1017 HH TYR 128 HH TYR 128 -1.992 8.170 10.236 1018 H THR 129 H THR 129 5.268 5.053 10.927 1019 HA THR 129 HA THR 129 4.747 7.671 9.939 1020 HB THR 129 HB THR 129 7.388 6.479 10.904 1021 HG1 THR 129 1HG THR 129 5.835 6.114 12.452 1022 1HG2 THR 129 1HG2 THR 129 6.334 9.346 10.933 1023 2HG2 THR 129 2HG2 THR 129 7.842 8.788 11.698 1024 3HG2 THR 129 3HG2 THR 129 7.670 8.728 9.939 1025 H LEU 130 H LEU 130 6.939 5.068 8.735 1026 HA LEU 130 HA LEU 130 8.012 6.630 6.594 1027 1HB LEU 130 1HB LEU 130 9.066 4.627 7.579 1028 2HB LEU 130 2HB LEU 130 7.754 3.617 6.971 1029 HG LEU 130 HG LEU 130 8.425 4.030 4.666 1030 1HD1 LEU 130 1HD1 LEU 130 10.610 5.811 5.836 1031 2HD1 LEU 130 2HD1 LEU 130 10.554 5.245 4.153 1032 3HD1 LEU 130 3HD1 LEU 130 9.292 6.320 4.745 1033 1HD2 LEU 130 1HD2 LEU 130 10.779 3.285 6.437 1034 2HD2 LEU 130 2HD2 LEU 130 9.449 2.223 5.935 1035 3HD2 LEU 130 3HD2 LEU 130 10.575 2.855 4.721 1036 H LEU 131 H LEU 131 5.197 4.425 6.802 1037 HA LEU 131 HA LEU 131 4.475 4.585 4.021 1038 1HB LEU 131 1HB LEU 131 2.865 3.942 6.531 1039 2HB LEU 131 2HB LEU 131 2.192 3.881 4.910 1040 HG LEU 131 HG LEU 131 4.493 2.133 5.890 1041 1HD1 LEU 131 1HD1 LEU 131 2.286 1.593 6.900 1042 2HD1 LEU 131 2HD1 LEU 131 1.597 1.448 5.262 1043 3HD1 LEU 131 3HD1 LEU 131 2.857 0.322 5.810 1044 1HD2 LEU 131 1HD2 LEU 131 3.033 2.242 3.238 1045 2HD2 LEU 131 2HD2 LEU 131 4.777 2.439 3.538 1046 3HD2 LEU 131 3HD2 LEU 131 4.012 0.863 3.768 1047 H GLU 132 H GLU 132 3.638 6.589 6.897 1048 HA GLU 132 HA GLU 132 1.682 8.178 5.584 1049 1HB GLU 132 1HB GLU 132 1.905 8.071 8.015 1050 2HB GLU 132 2HB GLU 132 3.518 8.790 7.939 1051 1HG GLU 132 1HG GLU 132 2.562 10.882 7.040 1052 2HG GLU 132 2HG GLU 132 0.953 10.157 7.045 1053 H ARG 133 H ARG 133 5.234 8.709 6.040 1054 HA ARG 133 HA ARG 133 5.407 11.079 4.472 1055 1HB ARG 133 1HB ARG 133 7.399 8.795 4.885 1056 2HB ARG 133 2HB ARG 133 7.774 10.271 3.982 1057 1HG ARG 133 1HG ARG 133 7.293 11.651 5.954 1058 2HG ARG 133 2HG ARG 133 6.830 10.205 6.863 1059 1HD ARG 133 1HD ARG 133 9.094 10.930 7.458 1060 2HD ARG 133 2HD ARG 133 9.091 9.324 6.734 1061 HE ARG 133 HE ARG 133 9.858 11.860 5.329 1062 1HH1 ARG 133 1HH2 ARG 133 10.452 8.397 5.874 1063 2HH1 ARG 133 2HH2 ARG 133 11.739 8.287 4.713 1064 1HH2 ARG 133 1HH1 ARG 133 11.650 11.736 3.890 1065 2HH2 ARG 133 2HH1 ARG 133 12.475 10.229 3.635 1066 H SER 134 H SER 134 5.673 7.661 3.475 1067 HA SER 134 HA SER 134 6.183 8.153 0.737 1068 1HB SER 134 1HB SER 134 4.723 5.798 2.001 1069 2HB SER 134 2HB SER 134 5.436 5.836 0.383 1070 HG SER 134 HG SER 134 6.745 5.989 2.909 1071 H ALA 135 H ALA 135 3.022 7.614 2.411 1072 HA ALA 135 HA ALA 135 1.421 7.900 0.097 1073 1HB ALA 135 1HB ALA 135 0.627 6.924 2.249 1074 2HB ALA 135 2HB ALA 135 0.736 8.527 3.005 1075 3HB ALA 135 3HB ALA 135 -0.425 8.237 1.691 1076 H ARG 136 H ARG 136 2.604 10.372 2.458 1077 HA ARG 136 HA ARG 136 1.113 12.524 1.348 1078 1HB ARG 136 1HB ARG 136 2.219 12.583 3.575 1079 2HB ARG 136 2HB ARG 136 3.800 12.481 2.815 1080 1HG ARG 136 1HG ARG 136 3.400 14.751 3.503 1081 2HG ARG 136 2HG ARG 136 3.452 14.684 1.746 1082 1HD ARG 136 1HD ARG 136 0.850 14.591 1.837 1083 2HD ARG 136 2HD ARG 136 1.021 14.954 3.554 1084 HE ARG 136 HE ARG 136 1.567 17.126 3.067 1085 1HH1 ARG 136 1HH2 ARG 136 1.774 15.247 0.006 1086 2HH1 ARG 136 2HH2 ARG 136 1.884 16.702 -0.949 1087 1HH2 ARG 136 1HH1 ARG 136 1.771 18.983 1.659 1088 2HH2 ARG 136 2HH1 ARG 136 1.938 18.733 -0.053 1089 H GLN 137 H GLN 137 4.349 11.199 0.536 1090 HA GLN 137 HA GLN 137 4.986 13.220 -1.381 1091 1HB GLN 137 1HB GLN 137 6.014 10.387 -0.998 1092 2HB GLN 137 2HB GLN 137 6.740 11.563 -2.090 1093 1HG GLN 137 1HG GLN 137 6.440 12.230 0.860 1094 2HG GLN 137 2HG GLN 137 7.720 11.161 0.304 1095 1HE2 GLN 137 2HE2 GLN 137 9.187 12.770 1.201 1096 2HE2 GLN 137 1HE2 GLN 137 9.573 14.199 0.270 1097 H TRP 138 H TRP 138 3.575 9.871 -1.752 1098 HA TRP 138 HA TRP 138 3.287 10.069 -4.571 1099 1HB TRP 138 1HB TRP 138 1.851 8.423 -2.478 1100 2HB TRP 138 2HB TRP 138 1.321 8.423 -4.157 1101 HD1 TRP 138 HD1 TRP 138 3.958 6.965 -1.936 1102 HE1 TRP 138 HE1 TRP 138 5.673 5.649 -3.223 1103 HE3 TRP 138 HE3 TRP 138 2.415 8.118 -6.683 1104 HZ2 TRP 138 HZ2 TRP 138 6.298 5.063 -6.008 1105 HZ3 TRP 138 HZ3 TRP 138 3.620 7.181 -8.639 1106 HH2 TRP 138 HH2 TRP 138 5.578 5.680 -8.310 1107 H ALA 139 H ALA 139 1.032 11.129 -1.934 1108 HA ALA 139 HA ALA 139 -0.967 12.080 -3.707 1109 1HB ALA 139 1HB ALA 139 -1.321 11.787 -1.290 1110 2HB ALA 139 2HB ALA 139 -0.194 13.122 -0.948 1111 3HB ALA 139 3HB ALA 139 -1.718 13.440 -1.803 1112 H GLN 140 H GLN 140 2.043 13.674 -2.510 1113 HA GLN 140 HA GLN 140 1.514 16.243 -3.507 1114 1HB GLN 140 1HB GLN 140 3.405 15.519 -1.953 1115 2HB GLN 140 2HB GLN 140 4.235 14.866 -3.352 1116 1HG GLN 140 1HG GLN 140 5.097 17.054 -2.727 1117 2HG GLN 140 2HG GLN 140 4.433 17.045 -4.359 1118 1HE2 GLN 140 2HE2 GLN 140 4.006 19.328 -4.448 1119 2HE2 GLN 140 1HE2 GLN 140 2.786 20.080 -3.451 1120 H ALA 141 H ALA 141 2.976 13.379 -5.142 1121 HA ALA 141 HA ALA 141 3.377 14.771 -7.649 1122 1HB ALA 141 1HB ALA 141 3.193 11.791 -6.999 1123 2HB ALA 141 2HB ALA 141 3.782 12.500 -8.519 1124 3HB ALA 141 3HB ALA 141 4.665 12.786 -7.005 1125 H LEU 142 H LEU 142 1.000 12.294 -6.601 1126 HA LEU 142 HA LEU 142 -0.482 12.111 -8.912 1127 1HB LEU 142 1HB LEU 142 -1.271 11.756 -6.008 1128 2HB LEU 142 2HB LEU 142 -2.410 11.430 -7.299 1129 HG LEU 142 HG LEU 142 0.292 10.035 -7.120 1130 1HD1 LEU 142 1HD1 LEU 142 -0.955 8.116 -6.196 1131 2HD1 LEU 142 2HD1 LEU 142 -1.072 9.518 -5.126 1132 3HD1 LEU 142 3HD1 LEU 142 -2.447 9.082 -6.164 1133 1HD2 LEU 142 1HD2 LEU 142 -0.791 8.386 -8.629 1134 2HD2 LEU 142 2HD2 LEU 142 -2.237 9.413 -8.709 1135 3HD2 LEU 142 3HD2 LEU 142 -0.688 9.980 -9.375 1136 H ASN 143 H ASN 143 -1.234 14.334 -6.156 1137 HA ASN 143 HA ASN 143 -3.590 15.281 -7.423 1138 1HB ASN 143 1HB ASN 143 -3.935 16.648 -5.658 1139 2HB ASN 143 2HB ASN 143 -2.842 15.501 -4.901 1140 1HD2 ASN 143 2HD2 ASN 143 -0.490 16.194 -4.798 1141 2HD2 ASN 143 1HD2 ASN 143 -0.114 17.910 -4.718 1142 H ALA 144 H ALA 144 -0.294 16.033 -8.167 1143 HA ALA 144 HA ALA 144 -1.139 18.499 -9.556 1144 1HB ALA 144 1HB ALA 144 0.351 18.928 -7.590 1145 2HB ALA 144 2HB ALA 144 1.585 17.877 -8.328 1146 3HB ALA 144 3HB ALA 144 1.115 19.399 -9.119 1147 H GLU 145 H GLU 145 -1.011 15.682 -10.380 1148 HA GLU 145 HA GLU 145 -0.044 16.365 -13.071 1149 1HB GLU 145 1HB GLU 145 1.067 14.326 -13.393 1150 2HB GLU 145 2HB GLU 145 1.531 14.861 -11.769 1151 1HG GLU 145 1HG GLU 145 -0.126 13.290 -10.791 1152 2HG GLU 145 2HG GLU 145 -0.489 12.674 -12.399 1153 H GLN 146 H GLN 146 -2.581 16.396 -11.620 1154 HA GLN 146 HA GLN 146 -4.375 14.560 -12.964 1155 1HB GLN 146 1HB GLN 146 -4.844 17.233 -11.538 1156 2HB GLN 146 2HB GLN 146 -6.128 16.187 -12.163 1157 1HG GLN 146 1HG GLN 146 -5.359 14.360 -10.646 1158 2HG GLN 146 2HG GLN 146 -4.141 15.445 -9.974 1159 1HE2 GLN 146 2HE2 GLN 146 -4.849 17.291 -8.659 1160 2HE2 GLN 146 1HE2 GLN 146 -6.466 17.319 -7.985 1161 H VAL 147 H VAL 147 -5.737 15.084 -14.685 1162 HA VAL 147 HA VAL 147 -5.037 17.269 -16.513 1163 HB VAL 147 HB VAL 147 -4.749 15.430 -18.305 1164 1HG1 VAL 147 1HG1 VAL 147 -2.906 16.902 -17.512 1165 2HG1 VAL 147 2HG1 VAL 147 -2.504 15.701 -16.264 1166 3HG1 VAL 147 3HG1 VAL 147 -2.349 15.289 -17.980 1167 1HG2 VAL 147 1HG2 VAL 147 -5.412 13.459 -16.928 1168 2HG2 VAL 147 2HG2 VAL 147 -3.784 13.286 -17.592 1169 3HG2 VAL 147 3HG2 VAL 147 -3.995 13.708 -15.880 Start of MODEL 11 1 H MET 1 H MET 1 -4.531 9.982 -15.529 2 HA MET 1 HA MET 1 -4.411 10.688 -13.262 3 1HB MET 1 1HB MET 1 -6.201 12.383 -13.360 4 2HB MET 1 2HB MET 1 -7.422 11.117 -13.541 5 1HG MET 1 1HG MET 1 -7.312 11.959 -11.241 6 2HG MET 1 2HG MET 1 -6.912 10.249 -11.316 7 1HE MET 1 1HE MET 1 -6.448 11.698 -8.736 8 2HE MET 1 2HE MET 1 -5.808 10.055 -8.987 9 3HE MET 1 3HE MET 1 -4.771 11.319 -8.292 10 H PHE 2 H PHE 2 -4.203 8.921 -11.926 11 HA PHE 2 HA PHE 2 -5.234 6.345 -12.743 12 1HB PHE 2 1HB PHE 2 -3.988 7.078 -10.070 13 2HB PHE 2 2HB PHE 2 -4.077 5.496 -10.823 14 HD1 PHE 2 HD1 PHE 2 -1.935 8.154 -10.101 15 HD2 PHE 2 HD2 PHE 2 -2.919 5.482 -13.339 16 HE1 PHE 2 HE1 PHE 2 0.295 8.548 -11.102 17 HE2 PHE 2 HE2 PHE 2 -0.687 5.881 -14.341 18 HZ PHE 2 HZ PHE 2 0.930 7.409 -13.224 19 H ASN 3 H ASN 3 -7.487 6.261 -12.677 20 HA ASN 3 HA ASN 3 -9.099 7.615 -10.781 21 1HB ASN 3 1HB ASN 3 -10.004 6.836 -12.913 22 2HB ASN 3 2HB ASN 3 -9.694 5.151 -12.478 23 1HD2 ASN 3 2HD2 ASN 3 -11.642 8.045 -11.541 24 2HD2 ASN 3 1HD2 ASN 3 -12.908 7.130 -10.770 25 H ASN 4 H ASN 4 -7.989 4.203 -10.838 26 HA ASN 4 HA ASN 4 -8.629 4.012 -7.946 27 1HB ASN 4 1HB ASN 4 -9.598 1.819 -8.248 28 2HB ASN 4 2HB ASN 4 -10.511 3.011 -9.159 29 1HD2 ASN 4 2HD2 ASN 4 -10.825 0.299 -9.613 30 2HD2 ASN 4 1HD2 ASN 4 -10.077 -0.175 -11.118 31 H ILE 5 H ILE 5 -7.372 2.659 -6.733 32 HA ILE 5 HA ILE 5 -4.828 1.746 -8.004 33 HB ILE 5 HB ILE 5 -5.272 3.512 -5.563 34 1HG1 ILE 5 1HG1 ILE 5 -4.103 4.135 -8.300 35 2HG1 ILE 5 2HG1 ILE 5 -5.580 4.786 -7.594 36 1HG2 ILE 5 1HG2 ILE 5 -3.323 2.020 -5.158 37 2HG2 ILE 5 2HG2 ILE 5 -2.596 2.599 -6.674 38 3HG2 ILE 5 3HG2 ILE 5 -2.845 3.687 -5.282 39 1HD1 ILE 5 1HD1 ILE 5 -3.973 6.494 -7.468 40 2HD1 ILE 5 2HD1 ILE 5 -4.222 5.876 -5.818 41 3HD1 ILE 5 3HD1 ILE 5 -2.756 5.437 -6.742 42 H LEU 6 H LEU 6 -3.747 0.050 -6.835 43 HA LEU 6 HA LEU 6 -5.288 -1.169 -4.571 44 1HB LEU 6 1HB LEU 6 -5.764 -2.397 -6.642 45 2HB LEU 6 2HB LEU 6 -4.039 -2.597 -6.943 46 HG LEU 6 HG LEU 6 -3.907 -3.916 -4.784 47 1HD1 LEU 6 1HD1 LEU 6 -5.909 -3.149 -3.652 48 2HD1 LEU 6 2HD1 LEU 6 -6.945 -3.775 -4.952 49 3HD1 LEU 6 3HD1 LEU 6 -6.027 -4.883 -3.910 50 1HD2 LEU 6 1HD2 LEU 6 -5.777 -4.987 -6.940 51 2HD2 LEU 6 2HD2 LEU 6 -4.002 -5.024 -6.981 52 3HD2 LEU 6 3HD2 LEU 6 -4.876 -5.963 -5.762 53 H VAL 7 H VAL 7 -3.988 -1.352 -2.821 54 HA VAL 7 HA VAL 7 -1.044 -1.343 -3.186 55 HB VAL 7 HB VAL 7 -2.525 -1.540 -0.543 56 1HG1 VAL 7 1HG1 VAL 7 -0.457 -0.609 0.339 57 2HG1 VAL 7 2HG1 VAL 7 -0.028 -1.944 -0.718 58 3HG1 VAL 7 3HG1 VAL 7 0.158 -0.279 -1.289 59 1HG2 VAL 7 1HG2 VAL 7 -1.880 1.047 -2.028 60 2HG2 VAL 7 2HG2 VAL 7 -3.490 0.461 -1.551 61 3HG2 VAL 7 3HG2 VAL 7 -2.338 0.934 -0.315 62 H VAL 8 H VAL 8 0.147 -3.229 -2.981 63 HA VAL 8 HA VAL 8 -1.285 -5.674 -2.068 64 HB VAL 8 HB VAL 8 0.575 -5.541 -4.475 65 1HG1 VAL 8 1HG1 VAL 8 -0.383 -7.800 -4.916 66 2HG1 VAL 8 2HG1 VAL 8 0.419 -7.750 -3.344 67 3HG1 VAL 8 3HG1 VAL 8 -1.360 -7.678 -3.446 68 1HG2 VAL 8 1HG2 VAL 8 -1.433 -5.866 -5.887 69 2HG2 VAL 8 2HG2 VAL 8 -2.466 -5.639 -4.460 70 3HG2 VAL 8 3HG2 VAL 8 -1.462 -4.305 -5.081 71 H CYS 9 H CYS 9 -0.198 -6.502 -0.339 72 HA CYS 9 HA CYS 9 2.769 -6.164 -0.234 73 1HB CYS 9 1HB CYS 9 0.930 -5.816 2.157 74 2HB CYS 9 2HB CYS 9 2.652 -5.433 2.036 75 HG CYS 9 HG CYS 9 -0.038 -3.991 0.900 76 H VAL 10 H VAL 10 3.920 -7.658 0.967 77 HA VAL 10 HA VAL 10 2.576 -10.249 1.557 78 HB VAL 10 HB VAL 10 5.404 -9.208 2.044 79 1HG1 VAL 10 1HG1 VAL 10 4.892 -10.847 3.805 80 2HG1 VAL 10 2HG1 VAL 10 4.282 -11.995 2.592 81 3HG1 VAL 10 3HG1 VAL 10 6.001 -11.548 2.624 82 1HG2 VAL 10 1HG2 VAL 10 4.787 -9.717 -0.345 83 2HG2 VAL 10 2HG2 VAL 10 6.026 -10.810 0.284 84 3HG2 VAL 10 3HG2 VAL 10 4.347 -11.363 0.148 85 H GLY 11 H GLY 11 1.719 -10.731 3.615 86 1HA GLY 11 1HA GLY 11 0.885 -10.307 5.693 87 2HA GLY 11 2HA GLY 11 2.161 -9.089 5.972 88 H ASN 12 H ASN 12 -0.232 -9.234 3.368 89 HA ASN 12 HA ASN 12 -1.331 -6.922 3.053 90 1HB ASN 12 1HB ASN 12 -2.175 -9.008 2.101 91 2HB ASN 12 2HB ASN 12 -2.953 -9.432 3.619 92 1HD2 ASN 12 2HD2 ASN 12 -3.772 -6.192 3.490 93 2HD2 ASN 12 1HD2 ASN 12 -5.262 -6.421 2.610 94 H ILE 13 H ILE 13 -2.272 -8.796 5.997 95 HA ILE 13 HA ILE 13 -4.398 -7.193 6.777 96 HB ILE 13 HB ILE 13 -4.139 -8.221 8.998 97 1HG1 ILE 13 1HG1 ILE 13 -1.547 -9.459 7.958 98 2HG1 ILE 13 2HG1 ILE 13 -1.634 -8.130 9.113 99 1HG2 ILE 13 1HG2 ILE 13 -3.710 -10.219 6.727 100 2HG2 ILE 13 2HG2 ILE 13 -4.476 -10.533 8.297 101 3HG2 ILE 13 3HG2 ILE 13 -5.248 -9.432 7.171 102 1HD1 ILE 13 1HD1 ILE 13 -1.305 -10.111 10.378 103 2HD1 ILE 13 2HD1 ILE 13 -2.991 -9.632 10.642 104 3HD1 ILE 13 3HD1 ILE 13 -2.602 -10.977 9.541 105 H CYS 14 H CYS 14 -1.229 -5.994 6.743 106 HA CYS 14 HA CYS 14 -1.995 -3.915 8.752 107 1HB CYS 14 1HB CYS 14 0.342 -3.899 9.585 108 2HB CYS 14 2HB CYS 14 -0.592 -5.348 9.992 109 HG CYS 14 HG CYS 14 0.396 -6.804 7.943 110 H ARG 15 H ARG 15 0.411 -4.711 6.133 111 HA ARG 15 HA ARG 15 1.164 -1.935 5.934 112 1HB ARG 15 1HB ARG 15 1.618 -4.324 4.109 113 2HB ARG 15 2HB ARG 15 2.407 -2.761 3.886 114 1HG ARG 15 1HG ARG 15 3.738 -2.988 5.837 115 2HG ARG 15 2HG ARG 15 2.663 -4.178 6.549 116 1HD ARG 15 1HD ARG 15 4.176 -5.686 5.925 117 2HD ARG 15 2HD ARG 15 3.371 -5.589 4.370 118 HE ARG 15 HE ARG 15 5.703 -3.808 4.940 119 1HH1 ARG 15 1HH1 ARG 15 4.587 -6.822 3.384 120 2HH1 ARG 15 2HH1 ARG 15 5.886 -6.799 2.208 121 1HH2 ARG 15 1HH2 ARG 15 7.580 -4.054 3.595 122 2HH2 ARG 15 2HH2 ARG 15 7.731 -5.498 2.639 123 H SER 16 H SER 16 -0.784 -4.051 3.724 124 HA SER 16 HA SER 16 -1.276 -2.109 1.832 125 1HB SER 16 1HB SER 16 -3.276 -4.270 2.502 126 2HB SER 16 2HB SER 16 -2.908 -3.542 0.930 127 HG SER 16 HG SER 16 -1.916 -5.515 1.022 128 HA PRO 17 HA PRO 17 -5.397 -0.779 3.757 129 1HB PRO 17 1HB PRO 17 -5.975 -1.129 6.421 130 2HB PRO 17 2HB PRO 17 -6.406 -2.292 5.138 131 1HG PRO 17 1HG PRO 17 -3.996 -2.365 6.974 132 2HG PRO 17 2HG PRO 17 -5.128 -3.699 6.579 133 1HD PRO 17 1HD PRO 17 -2.763 -3.447 5.311 134 2HD PRO 17 2HD PRO 17 -4.231 -3.948 4.417 135 H THR 18 H THR 18 -2.406 -0.594 5.750 136 HA THR 18 HA THR 18 -3.075 1.965 6.907 137 HB THR 18 HB THR 18 -0.364 0.644 6.487 138 HG1 THR 18 1HG THR 18 -1.401 -0.649 7.820 139 1HG2 THR 18 1HG2 THR 18 -1.253 2.935 8.305 140 2HG2 THR 18 2HG2 THR 18 0.306 2.084 8.432 141 3HG2 THR 18 3HG2 THR 18 -0.068 3.026 6.984 142 H ALA 19 H ALA 19 -1.125 1.006 3.985 143 HA ALA 19 HA ALA 19 -0.621 3.675 3.115 144 1HB ALA 19 1HB ALA 19 -0.993 1.095 1.554 145 2HB ALA 19 2HB ALA 19 -0.413 2.614 0.840 146 3HB ALA 19 3HB ALA 19 0.550 1.780 2.094 147 H GLU 20 H GLU 20 -3.312 1.403 2.340 148 HA GLU 20 HA GLU 20 -4.619 3.013 0.448 149 1HB GLU 20 1HB GLU 20 -5.058 0.599 0.914 150 2HB GLU 20 2HB GLU 20 -5.763 1.046 2.466 151 1HG GLU 20 1HG GLU 20 -7.269 2.598 0.729 152 2HG GLU 20 2HG GLU 20 -6.895 1.199 -0.268 153 H ARG 21 H ARG 21 -5.210 2.799 4.012 154 HA ARG 21 HA ARG 21 -7.287 4.786 3.960 155 1HB ARG 21 1HB ARG 21 -5.548 3.610 6.155 156 2HB ARG 21 2HB ARG 21 -6.841 4.766 6.483 157 1HG ARG 21 1HG ARG 21 -7.284 2.050 5.151 158 2HG ARG 21 2HG ARG 21 -7.477 2.410 6.869 159 1HD ARG 21 1HD ARG 21 -9.073 4.303 6.074 160 2HD ARG 21 2HD ARG 21 -9.143 3.415 4.538 161 HE ARG 21 HE ARG 21 -10.062 2.578 7.253 162 1HH1 ARG 21 1HH2 ARG 21 -9.724 1.419 3.821 163 2HH1 ARG 21 2HH2 ARG 21 -10.915 0.208 4.065 164 1HH2 ARG 21 1HH1 ARG 21 -11.508 0.813 7.475 165 2HH2 ARG 21 2HH1 ARG 21 -11.871 -0.171 6.105 166 H LEU 22 H LEU 22 -3.729 5.012 4.492 167 HA LEU 22 HA LEU 22 -3.769 7.772 5.295 168 1HB LEU 22 1HB LEU 22 -1.716 6.012 3.909 169 2HB LEU 22 2HB LEU 22 -1.419 7.721 4.195 170 HG LEU 22 HG LEU 22 -2.177 5.893 6.502 171 1HD1 LEU 22 1HD1 LEU 22 -0.228 4.878 5.479 172 2HD1 LEU 22 2HD1 LEU 22 0.569 6.441 5.321 173 3HD1 LEU 22 3HD1 LEU 22 0.298 5.736 6.937 174 1HD2 LEU 22 1HD2 LEU 22 -0.944 7.629 7.792 175 2HD2 LEU 22 2HD2 LEU 22 -0.684 8.553 6.304 176 3HD2 LEU 22 3HD2 LEU 22 -2.328 8.308 6.931 177 H LEU 23 H LEU 23 -3.658 6.169 2.070 178 HA LEU 23 HA LEU 23 -3.624 8.631 0.598 179 1HB LEU 23 1HB LEU 23 -4.503 5.818 -0.122 180 2HB LEU 23 2HB LEU 23 -4.511 7.150 -1.276 181 HG LEU 23 HG LEU 23 -1.974 6.466 0.246 182 1HD1 LEU 23 1HD1 LEU 23 -1.302 5.012 -1.634 183 2HD1 LEU 23 2HD1 LEU 23 -2.663 4.360 -0.751 184 3HD1 LEU 23 3HD1 LEU 23 -2.926 5.152 -2.332 185 1HD2 LEU 23 1HD2 LEU 23 -0.884 7.467 -1.723 186 2HD2 LEU 23 2HD2 LEU 23 -2.462 7.736 -2.486 187 3HD2 LEU 23 3HD2 LEU 23 -2.021 8.605 -1.001 188 H GLN 24 H GLN 24 -6.374 6.705 1.974 189 HA GLN 24 HA GLN 24 -8.410 8.342 0.781 190 1HB GLN 24 1HB GLN 24 -8.474 6.883 3.470 191 2HB GLN 24 2HB GLN 24 -9.841 7.651 2.693 192 1HG GLN 24 1HG GLN 24 -8.364 5.199 1.690 193 2HG GLN 24 2HG GLN 24 -9.985 5.278 2.355 194 1HE2 GLN 24 2HE2 GLN 24 -8.016 5.761 -0.445 195 2HE2 GLN 24 1HE2 GLN 24 -9.258 6.384 -1.544 196 H ARG 25 H ARG 25 -6.486 8.725 3.814 197 HA ARG 25 HA ARG 25 -7.896 10.990 4.735 198 1HB ARG 25 1HB ARG 25 -6.244 9.592 6.029 199 2HB ARG 25 2HB ARG 25 -4.931 10.392 5.158 200 1HG ARG 25 1HG ARG 25 -5.670 12.594 6.074 201 2HG ARG 25 2HG ARG 25 -7.010 11.784 6.898 202 1HD ARG 25 1HD ARG 25 -5.304 12.109 8.529 203 2HD ARG 25 2HD ARG 25 -5.333 10.381 8.141 204 HE ARG 25 HE ARG 25 -3.414 11.962 6.591 205 1HH1 ARG 25 1HH2 ARG 25 -3.866 10.151 9.621 206 2HH1 ARG 25 2HH2 ARG 25 -2.188 9.761 9.791 207 1HH2 ARG 25 1HH1 ARG 25 -1.129 11.644 6.990 208 2HH2 ARG 25 2HH1 ARG 25 -0.632 10.823 8.433 209 H TYR 26 H TYR 26 -4.894 10.830 2.722 210 HA TYR 26 HA TYR 26 -4.822 13.674 2.399 211 1HB TYR 26 1HB TYR 26 -3.397 11.446 0.904 212 2HB TYR 26 2HB TYR 26 -3.121 13.167 0.646 213 HD1 TYR 26 HD1 TYR 26 -1.971 10.372 2.504 214 HD2 TYR 26 HD2 TYR 26 -2.607 14.628 2.780 215 HE1 TYR 26 HE1 TYR 26 -0.423 10.476 4.439 216 HE2 TYR 26 HE2 TYR 26 -1.058 14.744 4.701 217 HH TYR 26 HH TYR 26 0.323 13.546 6.145 218 H HIS 27 H HIS 27 -6.399 11.139 0.450 219 HA HIS 27 HA HIS 27 -7.626 13.251 -1.237 220 1HB HIS 27 1HB HIS 27 -6.134 10.785 -2.201 221 2HB HIS 27 2HB HIS 27 -7.395 11.584 -3.137 222 HD1 HIS 27 HD1 HIS 27 -6.935 14.073 -4.047 223 HD2 HIS 27 HD2 HIS 27 -3.696 11.843 -2.509 224 HE1 HIS 27 HE1 HIS 27 -4.809 15.158 -4.939 225 HA PRO 28 HA PRO 28 -10.793 10.372 0.585 226 1HB PRO 28 1HB PRO 28 -12.377 12.893 0.085 227 2HB PRO 28 2HB PRO 28 -12.486 11.750 1.458 228 1HG PRO 28 1HG PRO 28 -11.190 14.117 1.742 229 2HG PRO 28 2HG PRO 28 -10.489 12.620 2.437 230 1HD PRO 28 1HD PRO 28 -9.754 14.015 -0.147 231 2HD PRO 28 2HD PRO 28 -8.687 13.309 1.105 232 H GLU 29 H GLU 29 -10.582 12.309 -2.358 233 HA GLU 29 HA GLU 29 -12.929 11.095 -3.605 234 1HB GLU 29 1HB GLU 29 -12.559 12.566 -5.372 235 2HB GLU 29 2HB GLU 29 -12.236 13.500 -3.929 236 1HG GLU 29 1HG GLU 29 -10.055 12.280 -5.702 237 2HG GLU 29 2HG GLU 29 -10.751 13.863 -5.947 238 H LEU 30 H LEU 30 -9.637 10.156 -3.211 239 HA LEU 30 HA LEU 30 -9.329 8.945 -5.881 240 1HB LEU 30 1HB LEU 30 -7.465 10.101 -4.773 241 2HB LEU 30 2HB LEU 30 -7.581 9.007 -3.385 242 HG LEU 30 HG LEU 30 -6.872 7.115 -4.812 243 1HD1 LEU 30 1HD1 LEU 30 -5.964 7.625 -7.099 244 2HD1 LEU 30 2HD1 LEU 30 -7.709 7.804 -7.013 245 3HD1 LEU 30 3HD1 LEU 30 -6.673 9.246 -6.986 246 1HD2 LEU 30 1HD2 LEU 30 -4.522 7.958 -5.128 247 2HD2 LEU 30 2HD2 LEU 30 -5.108 9.610 -4.890 248 3HD2 LEU 30 3HD2 LEU 30 -5.213 8.429 -3.570 249 H LYS 31 H LYS 31 -9.473 6.647 -6.233 250 HA LYS 31 HA LYS 31 -10.784 5.221 -3.979 251 1HB LYS 31 1HB LYS 31 -12.031 5.038 -6.065 252 2HB LYS 31 2HB LYS 31 -10.581 4.542 -6.938 253 1HG LYS 31 1HG LYS 31 -12.061 2.620 -6.465 254 2HG LYS 31 2HG LYS 31 -10.479 2.436 -5.722 255 1HD LYS 31 1HD LYS 31 -11.553 3.310 -3.538 256 2HD LYS 31 2HD LYS 31 -13.111 3.128 -4.342 257 1HE LYS 31 1HE LYS 31 -12.909 0.772 -4.411 258 2HE LYS 31 2HE LYS 31 -11.144 0.825 -4.310 259 1HZ LYS 31 1HZ LYS 31 -12.073 0.097 -2.223 260 2HZ LYS 31 2HZ LYS 31 -11.295 1.494 -2.024 261 3HZ LYS 31 3HZ LYS 31 -12.952 1.479 -2.060 262 H VAL 32 H VAL 32 -9.502 3.866 -2.816 263 HA VAL 32 HA VAL 32 -7.272 2.534 -4.197 264 HB VAL 32 HB VAL 32 -6.944 3.602 -1.375 265 1HG1 VAL 32 1HG1 VAL 32 -5.493 1.687 -1.985 266 2HG1 VAL 32 2HG1 VAL 32 -4.958 2.536 -3.439 267 3HG1 VAL 32 3HG1 VAL 32 -4.533 3.158 -1.838 268 1HG2 VAL 32 1HG2 VAL 32 -5.968 4.905 -3.949 269 2HG2 VAL 32 2HG2 VAL 32 -7.064 5.609 -2.744 270 3HG2 VAL 32 3HG2 VAL 32 -5.383 5.299 -2.332 271 H GLU 33 H GLU 33 -6.992 0.393 -3.485 272 HA GLU 33 HA GLU 33 -8.722 -0.579 -1.254 273 1HB GLU 33 1HB GLU 33 -9.747 -0.930 -3.585 274 2HB GLU 33 2HB GLU 33 -8.382 -1.974 -3.938 275 1HG GLU 33 1HG GLU 33 -10.340 -3.283 -3.325 276 2HG GLU 33 2HG GLU 33 -9.081 -3.528 -2.147 277 H SER 34 H SER 34 -7.879 -2.965 -0.745 278 HA SER 34 HA SER 34 -4.912 -3.013 -0.909 279 1HB SER 34 1HB SER 34 -5.150 -3.588 1.614 280 2HB SER 34 2HB SER 34 -5.262 -1.899 1.096 281 HG SER 34 HG SER 34 -7.412 -1.887 1.452 282 H ALA 35 H ALA 35 -3.970 -4.994 -1.026 283 HA ALA 35 HA ALA 35 -5.401 -7.477 -0.382 284 1HB ALA 35 1HB ALA 35 -5.041 -8.418 -2.650 285 2HB ALA 35 2HB ALA 35 -6.105 -7.011 -2.727 286 3HB ALA 35 3HB ALA 35 -4.397 -6.859 -3.208 287 H GLY 36 H GLY 36 -3.529 -9.324 -1.305 288 1HA GLY 36 1HA GLY 36 -0.830 -8.200 -1.125 289 2HA GLY 36 2HA GLY 36 -1.304 -9.205 0.227 290 H LEU 37 H LEU 37 0.919 -9.691 -1.268 291 HA LEU 37 HA LEU 37 0.501 -11.738 -3.288 292 1HB LEU 37 1HB LEU 37 2.831 -10.654 -1.685 293 2HB LEU 37 2HB LEU 37 3.038 -12.151 -2.577 294 HG LEU 37 HG LEU 37 1.966 -9.679 -3.971 295 1HD1 LEU 37 1HD1 LEU 37 4.900 -10.435 -3.613 296 2HD1 LEU 37 2HD1 LEU 37 4.266 -9.137 -4.656 297 3HD1 LEU 37 3HD1 LEU 37 4.089 -9.023 -2.903 298 1HD2 LEU 37 1HD2 LEU 37 2.897 -10.796 -5.968 299 2HD2 LEU 37 2HD2 LEU 37 3.532 -12.112 -4.957 300 3HD2 LEU 37 3HD2 LEU 37 1.788 -11.891 -5.134 301 H GLY 38 H GLY 38 1.254 -11.721 0.200 302 1HA GLY 38 1HA GLY 38 0.639 -14.652 0.345 303 2HA GLY 38 2HA GLY 38 1.928 -13.871 1.284 304 H ALA 39 H ALA 39 -1.424 -12.929 0.424 305 HA ALA 39 HA ALA 39 -1.899 -11.752 3.039 306 1HB ALA 39 1HB ALA 39 -3.803 -12.342 0.733 307 2HB ALA 39 2HB ALA 39 -4.087 -11.214 2.076 308 3HB ALA 39 3HB ALA 39 -2.826 -10.864 0.888 309 H LEU 40 H LEU 40 -4.141 -12.285 4.031 310 HA LEU 40 HA LEU 40 -4.474 -15.240 4.372 311 1HB LEU 40 1HB LEU 40 -4.411 -13.032 6.470 312 2HB LEU 40 2HB LEU 40 -4.886 -14.703 6.781 313 HG LEU 40 HG LEU 40 -2.122 -13.839 5.802 314 1HD1 LEU 40 1HD1 LEU 40 -1.339 -14.276 8.062 315 2HD1 LEU 40 2HD1 LEU 40 -2.603 -13.042 8.092 316 3HD1 LEU 40 3HD1 LEU 40 -2.978 -14.711 8.583 317 1HD2 LEU 40 1HD2 LEU 40 -1.437 -16.140 6.464 318 2HD2 LEU 40 2HD2 LEU 40 -3.137 -16.545 6.791 319 3HD2 LEU 40 3HD2 LEU 40 -2.602 -16.156 5.141 320 H VAL 41 H VAL 41 -6.133 -15.157 2.863 321 HA VAL 41 HA VAL 41 -7.970 -13.178 2.457 322 HB VAL 41 HB VAL 41 -8.614 -16.139 2.192 323 1HG1 VAL 41 1HG1 VAL 41 -9.492 -13.706 0.562 324 2HG1 VAL 41 2HG1 VAL 41 -9.922 -15.397 0.229 325 3HG1 VAL 41 3HG1 VAL 41 -10.502 -14.619 1.702 326 1HG2 VAL 41 1HG2 VAL 41 -6.436 -15.891 1.166 327 2HG2 VAL 41 2HG2 VAL 41 -7.632 -15.942 -0.120 328 3HG2 VAL 41 3HG2 VAL 41 -6.926 -14.386 0.361 329 H GLY 42 H GLY 42 -9.589 -12.268 3.540 330 1HA GLY 42 1HA GLY 42 -11.640 -12.264 4.619 331 2HA GLY 42 2HA GLY 42 -11.377 -13.912 5.194 332 H LYS 43 H LYS 43 -8.501 -12.621 6.136 333 HA LYS 43 HA LYS 43 -9.460 -12.112 8.856 334 1HB LYS 43 1HB LYS 43 -6.700 -11.797 7.589 335 2HB LYS 43 2HB LYS 43 -7.077 -11.441 9.278 336 1HG LYS 43 1HG LYS 43 -8.056 -13.858 9.377 337 2HG LYS 43 2HG LYS 43 -7.148 -14.135 7.881 338 1HD LYS 43 1HD LYS 43 -5.054 -13.440 9.074 339 2HD LYS 43 2HD LYS 43 -6.009 -13.163 10.545 340 1HE LYS 43 1HE LYS 43 -6.781 -15.589 10.386 341 2HE LYS 43 2HE LYS 43 -5.581 -15.823 9.112 342 1HZ LYS 43 1HZ LYS 43 -5.011 -15.018 11.912 343 2HZ LYS 43 2HZ LYS 43 -4.719 -16.478 11.262 344 3HZ LYS 43 3HZ LYS 43 -3.867 -15.186 10.756 345 H GLY 44 H GLY 44 -9.393 -10.139 9.989 346 1HA GLY 44 1HA GLY 44 -9.952 -7.753 8.399 347 2HA GLY 44 2HA GLY 44 -9.966 -7.901 10.160 348 H ALA 45 H ALA 45 -8.859 -5.700 9.715 349 HA ALA 45 HA ALA 45 -6.053 -5.715 9.011 350 1HB ALA 45 1HB ALA 45 -6.058 -3.472 10.084 351 2HB ALA 45 2HB ALA 45 -7.339 -3.650 8.867 352 3HB ALA 45 3HB ALA 45 -7.742 -3.729 10.592 353 H ASP 46 H ASP 46 -4.269 -5.635 10.470 354 HA ASP 46 HA ASP 46 -4.467 -7.510 12.620 355 1HB ASP 46 1HB ASP 46 -2.462 -7.241 11.216 356 2HB ASP 46 2HB ASP 46 -2.199 -5.627 11.878 357 HA PRO 47 HA PRO 47 -5.731 -4.725 15.920 358 1HB PRO 47 1HB PRO 47 -4.007 -6.551 17.601 359 2HB PRO 47 2HB PRO 47 -5.634 -5.891 17.960 360 1HG PRO 47 1HG PRO 47 -5.375 -8.424 17.043 361 2HG PRO 47 2HG PRO 47 -6.659 -7.363 16.376 362 1HD PRO 47 1HD PRO 47 -3.982 -8.063 15.166 363 2HD PRO 47 2HD PRO 47 -5.588 -7.926 14.385 364 H THR 48 H THR 48 -2.244 -5.496 15.505 365 HA THR 48 HA THR 48 -1.388 -3.391 17.337 366 HB THR 48 HB THR 48 0.454 -4.455 15.232 367 HG1 THR 48 1HG THR 48 -0.595 -6.269 15.585 368 1HG2 THR 48 1HG2 THR 48 0.680 -4.177 18.263 369 2HG2 THR 48 2HG2 THR 48 1.992 -4.660 17.164 370 3HG2 THR 48 3HG2 THR 48 1.295 -3.036 17.046 371 H ALA 49 H ALA 49 -1.753 -3.869 13.796 372 HA ALA 49 HA ALA 49 -0.757 -1.301 13.024 373 1HB ALA 49 1HB ALA 49 -1.779 -1.838 10.881 374 2HB ALA 49 2HB ALA 49 -1.035 -3.305 11.539 375 3HB ALA 49 3HB ALA 49 -2.792 -3.100 11.627 376 H ILE 50 H ILE 50 -4.062 -2.530 13.805 377 HA ILE 50 HA ILE 50 -5.468 -0.097 13.399 378 HB ILE 50 HB ILE 50 -5.935 -2.413 15.307 379 1HG1 ILE 50 1HG1 ILE 50 -7.508 -1.702 12.798 380 2HG1 ILE 50 2HG1 ILE 50 -6.090 -2.742 12.728 381 1HG2 ILE 50 1HG2 ILE 50 -7.836 -0.108 14.671 382 2HG2 ILE 50 2HG2 ILE 50 -8.282 -1.570 15.573 383 3HG2 ILE 50 3HG2 ILE 50 -7.107 -0.466 16.250 384 1HD1 ILE 50 1HD1 ILE 50 -7.150 -4.371 14.230 385 2HD1 ILE 50 2HD1 ILE 50 -8.596 -3.350 14.359 386 3HD1 ILE 50 3HD1 ILE 50 -8.158 -4.062 12.810 387 H SER 51 H SER 51 -3.784 -1.344 16.365 388 HA SER 51 HA SER 51 -4.544 0.832 18.004 389 1HB SER 51 1HB SER 51 -2.068 -0.939 18.193 390 2HB SER 51 2HB SER 51 -2.739 0.071 19.489 391 HG SER 51 HG SER 51 -3.925 -2.185 18.221 392 H VAL 52 H VAL 52 -1.551 0.400 16.003 393 HA VAL 52 HA VAL 52 -0.458 2.961 16.693 394 HB VAL 52 HB VAL 52 -0.048 1.066 14.350 395 1HG1 VAL 52 1HG1 VAL 52 0.547 3.333 13.548 396 2HG1 VAL 52 2HG1 VAL 52 1.579 3.571 14.975 397 3HG1 VAL 52 3HG1 VAL 52 1.968 2.321 13.765 398 1HG2 VAL 52 1HG2 VAL 52 0.749 0.253 16.539 399 2HG2 VAL 52 2HG2 VAL 52 2.139 0.699 15.540 400 3HG2 VAL 52 3HG2 VAL 52 1.604 1.784 16.824 401 H ALA 53 H ALA 53 -2.734 1.956 14.054 402 HA ALA 53 HA ALA 53 -2.734 4.513 12.793 403 1HB ALA 53 1HB ALA 53 -4.782 3.686 11.721 404 2HB ALA 53 2HB ALA 53 -3.521 2.445 11.711 405 3HB ALA 53 3HB ALA 53 -4.876 2.344 12.867 406 H ALA 54 H ALA 54 -4.735 3.159 15.455 407 HA ALA 54 HA ALA 54 -6.530 5.354 15.626 408 1HB ALA 54 1HB ALA 54 -5.640 3.369 17.774 409 2HB ALA 54 2HB ALA 54 -7.077 4.410 17.848 410 3HB ALA 54 3HB ALA 54 -6.975 3.131 16.621 411 H GLU 55 H GLU 55 -3.265 4.833 17.050 412 HA GLU 55 HA GLU 55 -3.213 7.050 18.762 413 1HB GLU 55 1HB GLU 55 -1.470 5.188 18.336 414 2HB GLU 55 2HB GLU 55 -0.861 6.219 17.031 415 1HG GLU 55 1HG GLU 55 -0.506 8.056 18.688 416 2HG GLU 55 2HG GLU 55 -1.061 6.978 19.972 417 H HIS 56 H HIS 56 -3.332 6.994 15.273 418 HA HIS 56 HA HIS 56 -2.934 9.944 15.122 419 1HB HIS 56 1HB HIS 56 -2.551 7.813 12.990 420 2HB HIS 56 2HB HIS 56 -2.278 9.545 12.784 421 HD1 HIS 56 HD1 HIS 56 -0.217 10.541 14.543 422 HD2 HIS 56 HD2 HIS 56 -0.474 6.419 13.727 423 HE1 HIS 56 HE1 HIS 56 2.024 9.539 15.211 424 H GLN 57 H GLN 57 -5.374 8.034 15.671 425 HA GLN 57 HA GLN 57 -7.542 7.820 15.102 426 1HB GLN 57 1HB GLN 57 -7.266 10.819 14.595 427 2HB GLN 57 2HB GLN 57 -8.763 9.942 14.898 428 1HG GLN 57 1HG GLN 57 -8.261 10.911 16.959 429 2HG GLN 57 2HG GLN 57 -7.805 9.224 17.145 430 1HE2 GLN 57 2HE2 GLN 57 -5.705 8.824 17.903 431 2HE2 GLN 57 1HE2 GLN 57 -4.415 10.003 17.925 432 H LEU 58 H LEU 58 -6.158 6.757 13.184 433 HA LEU 58 HA LEU 58 -7.944 7.247 10.829 434 1HB LEU 58 1HB LEU 58 -5.788 7.916 10.169 435 2HB LEU 58 2HB LEU 58 -4.986 6.556 10.950 436 HG LEU 58 HG LEU 58 -6.890 6.077 8.641 437 1HD1 LEU 58 1HD1 LEU 58 -3.954 6.914 8.471 438 2HD1 LEU 58 2HD1 LEU 58 -4.904 6.260 7.133 439 3HD1 LEU 58 3HD1 LEU 58 -5.356 7.812 7.841 440 1HD2 LEU 58 1HD2 LEU 58 -5.238 4.198 8.242 441 2HD2 LEU 58 2HD2 LEU 58 -4.384 4.671 9.698 442 3HD2 LEU 58 3HD2 LEU 58 -6.055 4.063 9.794 443 H SER 59 H SER 59 -9.005 5.343 10.169 444 HA SER 59 HA SER 59 -8.826 3.176 12.196 445 1HB SER 59 1HB SER 59 -11.215 4.128 10.587 446 2HB SER 59 2HB SER 59 -11.211 2.901 11.867 447 HG SER 59 HG SER 59 -11.849 4.980 12.622 448 H LEU 60 H LEU 60 -7.606 1.546 11.249 449 HA LEU 60 HA LEU 60 -7.848 0.799 8.456 450 1HB LEU 60 1HB LEU 60 -6.873 -0.951 10.738 451 2HB LEU 60 2HB LEU 60 -6.573 -1.162 9.018 452 HG LEU 60 HG LEU 60 -5.455 1.014 10.810 453 1HD1 LEU 60 1HD1 LEU 60 -4.079 -1.243 9.292 454 2HD1 LEU 60 2HD1 LEU 60 -3.321 -0.067 10.386 455 3HD1 LEU 60 3HD1 LEU 60 -4.471 -1.263 11.023 456 1HD2 LEU 60 1HD2 LEU 60 -4.971 0.584 7.836 457 2HD2 LEU 60 2HD2 LEU 60 -5.853 1.944 8.551 458 3HD2 LEU 60 3HD2 LEU 60 -4.128 1.748 8.883 459 H GLU 61 H GLU 61 -9.575 -0.073 11.424 460 HA GLU 61 HA GLU 61 -10.791 -2.437 10.732 461 1HB GLU 61 1HB GLU 61 -12.018 -0.037 12.160 462 2HB GLU 61 2HB GLU 61 -12.713 -1.665 12.140 463 1HG GLU 61 1HG GLU 61 -10.637 -2.554 13.193 464 2HG GLU 61 2HG GLU 61 -9.989 -0.914 13.292 465 H GLY 62 H GLY 62 -12.652 -3.085 9.623 466 1HA GLY 62 1HA GLY 62 -14.322 -2.909 7.987 467 2HA GLY 62 2HA GLY 62 -13.953 -1.189 7.750 468 H HIS 63 H HIS 63 -11.976 -4.215 7.685 469 HA HIS 63 HA HIS 63 -11.214 -3.787 4.874 470 1HB HIS 63 1HB HIS 63 -9.418 -2.644 6.040 471 2HB HIS 63 2HB HIS 63 -9.309 -3.921 7.252 472 HD1 HIS 63 HD1 HIS 63 -8.472 -3.420 3.474 473 HD2 HIS 63 HD2 HIS 63 -7.707 -5.960 6.754 474 HE1 HIS 63 HE1 HIS 63 -6.801 -5.116 2.684 475 H CYS 64 H CYS 64 -10.715 -5.768 3.887 476 HA CYS 64 HA CYS 64 -10.552 -8.204 5.580 477 1HB CYS 64 1HB CYS 64 -12.132 -7.941 2.977 478 2HB CYS 64 2HB CYS 64 -11.804 -9.450 3.836 479 HG CYS 64 HG CYS 64 -14.302 -8.752 4.196 480 H ALA 65 H ALA 65 -8.610 -9.121 5.174 481 HA ALA 65 HA ALA 65 -6.939 -8.324 2.966 482 1HB ALA 65 1HB ALA 65 -6.785 -10.548 5.047 483 2HB ALA 65 2HB ALA 65 -5.514 -10.241 3.845 484 3HB ALA 65 3HB ALA 65 -5.924 -8.992 5.035 485 H ARG 66 H ARG 66 -6.145 -9.793 1.274 486 HA ARG 66 HA ARG 66 -7.677 -12.125 0.517 487 1HB ARG 66 1HB ARG 66 -8.853 -11.257 -1.401 488 2HB ARG 66 2HB ARG 66 -9.338 -10.321 0.001 489 1HG ARG 66 1HG ARG 66 -7.386 -8.667 -0.842 490 2HG ARG 66 2HG ARG 66 -7.647 -9.517 -2.368 491 1HD ARG 66 1HD ARG 66 -9.041 -7.644 -2.477 492 2HD ARG 66 2HD ARG 66 -10.160 -8.953 -2.045 493 HE ARG 66 HE ARG 66 -9.390 -7.980 0.404 494 1HH1 ARG 66 1HH2 ARG 66 -10.792 -6.335 -2.453 495 2HH1 ARG 66 2HH2 ARG 66 -11.110 -4.884 -1.516 496 1HH2 ARG 66 1HH1 ARG 66 -9.886 -6.070 1.492 497 2HH2 ARG 66 2HH1 ARG 66 -10.579 -4.700 0.600 498 H GLN 67 H GLN 67 -6.687 -13.120 -1.405 499 HA GLN 67 HA GLN 67 -3.914 -12.211 -1.694 500 1HB GLN 67 1HB GLN 67 -4.585 -14.672 -1.346 501 2HB GLN 67 2HB GLN 67 -5.121 -14.646 -3.041 502 1HG GLN 67 1HG GLN 67 -2.827 -13.972 -3.740 503 2HG GLN 67 2HG GLN 67 -2.347 -13.835 -2.049 504 1HE2 GLN 67 2HE2 GLN 67 -0.592 -15.278 -2.447 505 2HE2 GLN 67 1HE2 GLN 67 -0.862 -17.006 -2.593 506 H ILE 68 H ILE 68 -2.987 -11.471 -3.446 507 HA ILE 68 HA ILE 68 -4.486 -10.056 -5.374 508 HB ILE 68 HB ILE 68 -2.146 -9.615 -4.663 509 1HG1 ILE 68 1HG1 ILE 68 -1.179 -9.005 -6.829 510 2HG1 ILE 68 2HG1 ILE 68 -2.352 -10.003 -7.680 511 1HG2 ILE 68 1HG2 ILE 68 -1.290 -11.954 -6.402 512 2HG2 ILE 68 2HG2 ILE 68 -0.251 -10.819 -5.525 513 3HG2 ILE 68 3HG2 ILE 68 -1.285 -11.948 -4.631 514 1HD1 ILE 68 1HD1 ILE 68 -4.173 -8.551 -6.996 515 2HD1 ILE 68 2HD1 ILE 68 -3.126 -7.685 -5.852 516 3HD1 ILE 68 3HD1 ILE 68 -2.874 -7.513 -7.598 517 H SER 69 H SER 69 -4.885 -10.507 -7.553 518 HA SER 69 HA SER 69 -4.237 -13.153 -8.641 519 1HB SER 69 1HB SER 69 -6.488 -13.579 -9.406 520 2HB SER 69 2HB SER 69 -6.547 -13.325 -7.652 521 HG SER 69 HG SER 69 -8.189 -12.179 -8.672 522 H ARG 70 H ARG 70 -4.460 -13.031 -11.112 523 HA ARG 70 HA ARG 70 -3.492 -10.510 -12.101 524 1HB ARG 70 1HB ARG 70 -3.019 -12.709 -13.145 525 2HB ARG 70 2HB ARG 70 -4.707 -12.830 -13.664 526 1HG ARG 70 1HG ARG 70 -4.458 -10.873 -15.110 527 2HG ARG 70 2HG ARG 70 -2.839 -10.545 -14.455 528 1HD ARG 70 1HD ARG 70 -2.033 -12.700 -15.346 529 2HD ARG 70 2HD ARG 70 -3.644 -13.041 -16.008 530 HE ARG 70 HE ARG 70 -3.003 -10.599 -17.102 531 1HH1 ARG 70 1HH2 ARG 70 -1.402 -13.773 -17.083 532 2HH1 ARG 70 2HH2 ARG 70 -0.672 -13.568 -18.631 533 1HH2 ARG 70 1HH1 ARG 70 -2.063 -10.319 -19.129 534 2HH2 ARG 70 2HH1 ARG 70 -1.063 -11.557 -19.838 535 H ARG 71 H ARG 71 -6.777 -11.935 -11.859 536 HA ARG 71 HA ARG 71 -8.115 -9.952 -13.369 537 1HB ARG 71 1HB ARG 71 -8.874 -12.230 -12.009 538 2HB ARG 71 2HB ARG 71 -9.505 -10.994 -10.928 539 1HG ARG 71 1HG ARG 71 -10.131 -11.317 -13.885 540 2HG ARG 71 2HG ARG 71 -11.181 -11.778 -12.547 541 1HD ARG 71 1HD ARG 71 -10.289 -8.953 -13.205 542 2HD ARG 71 2HD ARG 71 -11.862 -9.656 -13.610 543 HE ARG 71 HE ARG 71 -11.640 -9.975 -10.867 544 1HH1 ARG 71 1HH2 ARG 71 -11.720 -7.237 -13.131 545 2HH1 ARG 71 2HH2 ARG 71 -12.260 -6.093 -11.940 546 1HH2 ARG 71 1HH1 ARG 71 -12.435 -8.447 -9.310 547 2HH2 ARG 71 2HH1 ARG 71 -12.753 -6.819 -9.780 548 H LEU 72 H LEU 72 -7.319 -10.026 -9.811 549 HA LEU 72 HA LEU 72 -8.338 -7.431 -9.286 550 1HB LEU 72 1HB LEU 72 -6.430 -9.297 -7.921 551 2HB LEU 72 2HB LEU 72 -6.205 -7.573 -7.602 552 HG LEU 72 HG LEU 72 -8.569 -7.341 -7.012 553 1HD1 LEU 72 1HD1 LEU 72 -8.662 -10.385 -7.034 554 2HD1 LEU 72 2HD1 LEU 72 -9.937 -9.301 -6.443 555 3HD1 LEU 72 3HD1 LEU 72 -9.529 -9.322 -8.163 556 1HD2 LEU 72 1HD2 LEU 72 -6.830 -7.624 -5.281 557 2HD2 LEU 72 2HD2 LEU 72 -8.350 -8.371 -4.771 558 3HD2 LEU 72 3HD2 LEU 72 -7.020 -9.391 -5.361 559 H CYS 73 H CYS 73 -5.047 -8.447 -10.428 560 HA CYS 73 HA CYS 73 -3.932 -5.874 -10.287 561 1HB CYS 73 1HB CYS 73 -3.379 -8.010 -12.412 562 2HB CYS 73 2HB CYS 73 -2.364 -6.607 -12.073 563 HG CYS 73 HG CYS 73 -3.188 -9.044 -9.974 564 H ARG 74 H ARG 74 -5.667 -7.394 -13.097 565 HA ARG 74 HA ARG 74 -5.551 -5.113 -14.780 566 1HB ARG 74 1HB ARG 74 -7.535 -7.423 -14.545 567 2HB ARG 74 2HB ARG 74 -7.657 -6.214 -15.808 568 1HG ARG 74 1HG ARG 74 -5.243 -8.045 -15.422 569 2HG ARG 74 2HG ARG 74 -6.575 -8.300 -16.548 570 1HD ARG 74 1HD ARG 74 -5.896 -5.797 -17.325 571 2HD ARG 74 2HD ARG 74 -4.344 -6.282 -16.650 572 HE ARG 74 HE ARG 74 -4.020 -7.750 -18.432 573 1HH1 ARG 74 1HH2 ARG 74 -7.466 -6.822 -18.424 574 2HH1 ARG 74 2HH2 ARG 74 -7.748 -7.401 -20.022 575 1HH2 ARG 74 1HH1 ARG 74 -4.346 -8.301 -20.567 576 2HH2 ARG 74 2HH1 ARG 74 -5.947 -8.342 -21.255 577 H ASN 75 H ASN 75 -7.648 -5.730 -12.005 578 HA ASN 75 HA ASN 75 -9.832 -4.139 -12.833 579 1HB ASN 75 1HB ASN 75 -9.846 -5.866 -11.005 580 2HB ASN 75 2HB ASN 75 -8.970 -4.741 -9.980 581 1HD2 ASN 75 2HD2 ASN 75 -10.134 -2.987 -8.991 582 2HD2 ASN 75 1HD2 ASN 75 -11.865 -2.819 -9.179 583 H TYR 76 H TYR 76 -6.755 -3.151 -11.351 584 HA TYR 76 HA TYR 76 -7.863 -0.424 -10.912 585 1HB TYR 76 1HB TYR 76 -5.595 -1.751 -9.416 586 2HB TYR 76 2HB TYR 76 -6.241 -0.144 -9.130 587 HD1 TYR 76 HD1 TYR 76 -8.290 0.152 -7.803 588 HD2 TYR 76 HD2 TYR 76 -6.876 -3.756 -8.830 589 HE1 TYR 76 HE1 TYR 76 -9.984 -0.842 -6.290 590 HE2 TYR 76 HE2 TYR 76 -8.530 -4.789 -7.314 591 HH TYR 76 HH TYR 76 -10.340 -4.397 -5.881 592 H ASP 77 H ASP 77 -6.495 1.377 -11.462 593 HA ASP 77 HA ASP 77 -5.092 0.705 -13.943 594 1HB ASP 77 1HB ASP 77 -6.818 2.491 -13.779 595 2HB ASP 77 2HB ASP 77 -5.728 3.414 -12.736 596 H LEU 78 H LEU 78 -4.036 1.225 -10.722 597 HA LEU 78 HA LEU 78 -1.241 1.464 -11.591 598 1HB LEU 78 1HB LEU 78 -2.310 3.789 -11.412 599 2HB LEU 78 2HB LEU 78 -2.525 3.496 -9.705 600 HG LEU 78 HG LEU 78 -0.630 4.965 -10.282 601 1HD1 LEU 78 1HD1 LEU 78 0.896 4.156 -8.710 602 2HD1 LEU 78 2HD1 LEU 78 -0.682 3.561 -8.207 603 3HD1 LEU 78 3HD1 LEU 78 0.474 2.460 -9.001 604 1HD2 LEU 78 1HD2 LEU 78 0.010 3.841 -12.416 605 2HD2 LEU 78 2HD2 LEU 78 1.364 4.227 -11.346 606 3HD2 LEU 78 3HD2 LEU 78 0.777 2.560 -11.461 607 H ILE 79 H ILE 79 0.031 0.275 -10.113 608 HA ILE 79 HA ILE 79 -1.467 -0.898 -7.800 609 HB ILE 79 HB ILE 79 0.616 -2.242 -9.556 610 1HG1 ILE 79 1HG1 ILE 79 -1.394 -1.927 -10.907 611 2HG1 ILE 79 2HG1 ILE 79 -1.117 -3.615 -10.534 612 1HG2 ILE 79 1HG2 ILE 79 0.616 -3.179 -7.321 613 2HG2 ILE 79 2HG2 ILE 79 -1.151 -3.316 -7.320 614 3HG2 ILE 79 3HG2 ILE 79 -0.172 -4.324 -8.408 615 1HD1 ILE 79 1HD1 ILE 79 -3.509 -2.975 -10.409 616 2HD1 ILE 79 2HD1 ILE 79 -2.915 -3.609 -8.869 617 3HD1 ILE 79 3HD1 ILE 79 -3.149 -1.856 -9.090 618 H LEU 80 H LEU 80 -0.418 -0.929 -5.880 619 HA LEU 80 HA LEU 80 2.221 0.476 -5.692 620 1HB LEU 80 1HB LEU 80 -0.341 0.534 -4.115 621 2HB LEU 80 2HB LEU 80 1.158 0.613 -3.200 622 HG LEU 80 HG LEU 80 1.846 2.626 -4.176 623 1HD1 LEU 80 1HD1 LEU 80 -0.400 2.331 -6.186 624 2HD1 LEU 80 2HD1 LEU 80 0.522 3.833 -5.931 625 3HD1 LEU 80 3HD1 LEU 80 1.341 2.386 -6.516 626 1HD2 LEU 80 1HD2 LEU 80 -1.176 2.747 -3.717 627 2HD2 LEU 80 2HD2 LEU 80 0.068 2.802 -2.454 628 3HD2 LEU 80 3HD2 LEU 80 -0.064 4.123 -3.632 629 H THR 81 H THR 81 3.821 -0.479 -4.485 630 HA THR 81 HA THR 81 3.308 -3.104 -3.204 631 HB THR 81 HB THR 81 5.357 -3.931 -4.464 632 HG1 THR 81 1HG THR 81 4.896 -1.538 -5.882 633 1HG2 THR 81 1HG2 THR 81 3.010 -3.304 -6.287 634 2HG2 THR 81 2HG2 THR 81 4.195 -4.617 -6.449 635 3HG2 THR 81 3HG2 THR 81 3.044 -4.628 -5.099 636 H MET 82 H MET 82 5.230 -3.683 -1.752 637 HA MET 82 HA MET 82 6.067 -1.173 -0.447 638 1HB MET 82 1HB MET 82 6.157 -4.095 0.416 639 2HB MET 82 2HB MET 82 6.567 -2.732 1.433 640 1HG MET 82 1HG MET 82 3.827 -3.229 0.219 641 2HG MET 82 2HG MET 82 4.324 -3.689 1.838 642 1HE MET 82 1HE MET 82 2.731 0.367 0.540 643 2HE MET 82 2HE MET 82 3.985 -0.360 -0.480 644 3HE MET 82 3HE MET 82 2.460 -1.228 -0.189 645 H GLU 83 H GLU 83 7.549 -3.908 -2.162 646 HA GLU 83 HA GLU 83 10.258 -2.903 -1.446 647 1HB GLU 83 1HB GLU 83 9.280 -5.795 -1.296 648 2HB GLU 83 2HB GLU 83 10.941 -5.256 -1.042 649 1HG GLU 83 1HG GLU 83 10.274 -4.084 1.022 650 2HG GLU 83 2HG GLU 83 8.582 -4.501 0.738 651 H LYS 84 H LYS 84 11.928 -3.687 -2.984 652 HA LYS 84 HA LYS 84 11.064 -3.620 -5.671 653 1HB LYS 84 1HB LYS 84 13.702 -4.662 -4.531 654 2HB LYS 84 2HB LYS 84 13.357 -4.379 -6.234 655 1HG LYS 84 1HG LYS 84 14.293 -2.372 -5.855 656 2HG LYS 84 2HG LYS 84 12.668 -1.937 -5.343 657 1HD LYS 84 1HD LYS 84 13.413 -2.433 -2.935 658 2HD LYS 84 2HD LYS 84 15.050 -2.680 -3.581 659 1HE LYS 84 1HE LYS 84 14.877 -0.344 -4.606 660 2HE LYS 84 2HE LYS 84 13.362 -0.139 -3.728 661 1HZ LYS 84 1HZ LYS 84 14.739 -0.554 -1.634 662 2HZ LYS 84 2HZ LYS 84 16.066 -0.385 -2.584 663 3HZ LYS 84 3HZ LYS 84 14.972 0.837 -2.419 664 H ARG 85 H ARG 85 11.786 -6.490 -3.613 665 HA ARG 85 HA ARG 85 11.256 -8.415 -5.631 666 1HB ARG 85 1HB ARG 85 10.808 -9.991 -3.807 667 2HB ARG 85 2HB ARG 85 12.301 -9.088 -3.568 668 1HG ARG 85 1HG ARG 85 11.257 -7.678 -1.868 669 2HG ARG 85 2HG ARG 85 9.674 -8.399 -2.192 670 1HD ARG 85 1HD ARG 85 10.523 -10.602 -1.445 671 2HD ARG 85 2HD ARG 85 12.078 -9.850 -1.035 672 HE ARG 85 HE ARG 85 10.673 -8.291 0.456 673 1HH1 ARG 85 1HH1 ARG 85 10.122 -11.785 0.143 674 2HH1 ARG 85 2HH1 ARG 85 9.209 -11.899 1.600 675 1HH2 ARG 85 1HH2 ARG 85 9.293 -8.373 2.203 676 2HH2 ARG 85 2HH2 ARG 85 8.821 -9.909 2.881 677 H HIS 86 H HIS 86 8.920 -6.423 -3.790 678 HA HIS 86 HA HIS 86 6.667 -8.157 -4.502 679 1HB HIS 86 1HB HIS 86 6.732 -5.288 -3.494 680 2HB HIS 86 2HB HIS 86 5.275 -6.211 -3.832 681 HD1 HIS 86 HD1 HIS 86 7.829 -8.261 -1.945 682 HD2 HIS 86 HD2 HIS 86 4.633 -5.636 -1.248 683 HE1 HIS 86 HE1 HIS 86 7.283 -8.438 0.531 684 H ILE 87 H ILE 87 8.259 -5.168 -5.831 685 HA ILE 87 HA ILE 87 6.414 -4.691 -7.902 686 HB ILE 87 HB ILE 87 9.432 -4.422 -8.171 687 1HG1 ILE 87 1HG1 ILE 87 7.562 -2.245 -7.151 688 2HG1 ILE 87 2HG1 ILE 87 8.584 -3.228 -6.108 689 1HG2 ILE 87 1HG2 ILE 87 8.130 -4.171 -10.287 690 2HG2 ILE 87 2HG2 ILE 87 7.201 -2.858 -9.538 691 3HG2 ILE 87 3HG2 ILE 87 8.942 -2.687 -9.825 692 1HD1 ILE 87 1HD1 ILE 87 9.870 -1.327 -6.413 693 2HD1 ILE 87 2HD1 ILE 87 10.568 -2.436 -7.594 694 3HD1 ILE 87 3HD1 ILE 87 9.445 -1.162 -8.129 695 H GLU 88 H GLU 88 9.326 -6.834 -7.811 696 HA GLU 88 HA GLU 88 9.058 -7.785 -10.459 697 1HB GLU 88 1HB GLU 88 10.332 -9.056 -7.998 698 2HB GLU 88 2HB GLU 88 10.450 -9.729 -9.629 699 1HG GLU 88 1HG GLU 88 11.487 -7.629 -10.438 700 2HG GLU 88 2HG GLU 88 11.418 -6.954 -8.813 701 H ARG 89 H ARG 89 7.723 -9.195 -7.384 702 HA ARG 89 HA ARG 89 6.595 -11.451 -8.729 703 1HB ARG 89 1HB ARG 89 5.837 -10.159 -6.097 704 2HB ARG 89 2HB ARG 89 5.155 -11.672 -6.705 705 1HG ARG 89 1HG ARG 89 8.074 -11.179 -6.063 706 2HG ARG 89 2HG ARG 89 6.922 -12.119 -5.101 707 1HD ARG 89 1HD ARG 89 6.717 -13.635 -7.183 708 2HD ARG 89 2HD ARG 89 8.116 -12.730 -7.813 709 HE ARG 89 HE ARG 89 8.566 -13.761 -5.153 710 1HH1 ARG 89 1HH2 ARG 89 8.662 -14.638 -8.612 711 2HH1 ARG 89 2HH2 ARG 89 9.780 -15.941 -8.371 712 1HH2 ARG 89 1HH1 ARG 89 10.067 -15.476 -4.864 713 2HH2 ARG 89 2HH1 ARG 89 10.600 -16.413 -6.206 714 H LEU 90 H LEU 90 5.242 -8.165 -8.073 715 HA LEU 90 HA LEU 90 2.640 -8.864 -9.095 716 1HB LEU 90 1HB LEU 90 4.067 -6.346 -8.367 717 2HB LEU 90 2HB LEU 90 2.818 -6.178 -9.585 718 HG LEU 90 HG LEU 90 1.967 -5.688 -7.379 719 1HD1 LEU 90 1HD1 LEU 90 0.680 -8.254 -8.398 720 2HD1 LEU 90 2HD1 LEU 90 -0.072 -6.945 -7.475 721 3HD1 LEU 90 3HD1 LEU 90 0.464 -6.655 -9.133 722 1HD2 LEU 90 1HD2 LEU 90 3.417 -7.218 -6.070 723 2HD2 LEU 90 2HD2 LEU 90 1.719 -7.373 -5.649 724 3HD2 LEU 90 3HD2 LEU 90 2.481 -8.605 -6.669 725 H CYS 91 H CYS 91 5.646 -7.685 -10.692 726 HA CYS 91 HA CYS 91 4.425 -7.380 -13.266 727 1HB CYS 91 1HB CYS 91 7.303 -8.055 -12.514 728 2HB CYS 91 2HB CYS 91 6.736 -7.643 -14.141 729 HG CYS 91 HG CYS 91 6.560 -5.864 -11.362 730 H GLU 92 H GLU 92 5.776 -10.294 -11.561 731 HA GLU 92 HA GLU 92 5.359 -12.021 -13.802 732 1HB GLU 92 1HB GLU 92 5.486 -12.628 -10.823 733 2HB GLU 92 2HB GLU 92 5.331 -13.855 -12.081 734 1HG GLU 92 1HG GLU 92 7.436 -13.019 -13.137 735 2HG GLU 92 2HG GLU 92 7.650 -11.906 -11.786 736 H MET 93 H MET 93 3.172 -10.978 -11.127 737 HA MET 93 HA MET 93 1.016 -12.711 -11.836 738 1HB MET 93 1HB MET 93 1.029 -9.999 -10.443 739 2HB MET 93 2HB MET 93 -0.412 -10.970 -10.655 740 1HG MET 93 1HG MET 93 2.077 -11.814 -9.136 741 2HG MET 93 2HG MET 93 0.573 -11.252 -8.425 742 1HE MET 93 1HE MET 93 -1.894 -14.230 -9.195 743 2HE MET 93 2HE MET 93 -1.734 -12.556 -8.615 744 3HE MET 93 3HE MET 93 -1.620 -12.915 -10.356 745 H ALA 94 H ALA 94 1.937 -9.464 -13.073 746 HA ALA 94 HA ALA 94 0.033 -9.844 -15.316 747 1HB ALA 94 1HB ALA 94 -0.005 -7.440 -13.448 748 2HB ALA 94 2HB ALA 94 -0.902 -7.588 -14.976 749 3HB ALA 94 3HB ALA 94 -1.273 -8.671 -13.621 750 HA PRO 95 HA PRO 95 4.209 -8.232 -16.471 751 1HB PRO 95 1HB PRO 95 4.429 -9.457 -18.938 752 2HB PRO 95 2HB PRO 95 4.851 -10.228 -17.380 753 1HG PRO 95 1HG PRO 95 2.272 -10.480 -18.948 754 2HG PRO 95 2HG PRO 95 3.243 -11.783 -18.193 755 1HD PRO 95 1HD PRO 95 1.046 -10.754 -16.978 756 2HD PRO 95 2HD PRO 95 2.491 -11.207 -16.023 757 H GLU 96 H GLU 96 1.143 -8.163 -18.218 758 HA GLU 96 HA GLU 96 1.677 -6.181 -20.158 759 1HB GLU 96 1HB GLU 96 -0.840 -6.587 -18.480 760 2HB GLU 96 2HB GLU 96 -0.753 -5.747 -20.034 761 1HG GLU 96 1HG GLU 96 -0.120 -7.845 -21.160 762 2HG GLU 96 2HG GLU 96 -0.114 -8.694 -19.604 763 H MET 97 H MET 97 1.421 -5.963 -16.683 764 HA MET 97 HA MET 97 0.984 -3.030 -16.720 765 1HB MET 97 1HB MET 97 0.791 -5.047 -14.444 766 2HB MET 97 2HB MET 97 0.440 -3.323 -14.340 767 1HG MET 97 1HG MET 97 -1.309 -3.619 -16.137 768 2HG MET 97 2HG MET 97 -1.023 -5.358 -16.062 769 1HE MET 97 1HE MET 97 -2.686 -2.242 -14.457 770 2HE MET 97 2HE MET 97 -3.050 -2.776 -12.805 771 3HE MET 97 3HE MET 97 -1.369 -2.497 -13.287 772 H ARG 98 H ARG 98 3.699 -4.726 -17.107 773 HA ARG 98 HA ARG 98 5.411 -3.749 -15.037 774 1HB ARG 98 1HB ARG 98 7.233 -4.091 -16.566 775 2HB ARG 98 2HB ARG 98 6.098 -5.431 -16.704 776 1HG ARG 98 1HG ARG 98 5.136 -4.241 -18.774 777 2HG ARG 98 2HG ARG 98 6.509 -3.134 -18.668 778 1HD ARG 98 1HD ARG 98 6.675 -6.163 -18.974 779 2HD ARG 98 2HD ARG 98 6.881 -5.003 -20.280 780 HE ARG 98 HE ARG 98 8.786 -5.720 -18.185 781 1HH1 ARG 98 1HH2 ARG 98 8.018 -3.303 -20.674 782 2HH1 ARG 98 2HH2 ARG 98 9.624 -2.682 -20.766 783 1HH2 ARG 98 1HH1 ARG 98 10.922 -4.891 -18.305 784 2HH2 ARG 98 2HH1 ARG 98 11.309 -3.613 -19.392 785 H GLY 99 H GLY 99 6.293 -1.716 -14.674 786 1HA GLY 99 1HA GLY 99 6.661 0.550 -14.970 787 2HA GLY 99 2HA GLY 99 5.872 0.497 -16.548 788 H LYS 100 H LYS 100 3.593 -0.995 -14.681 789 HA LYS 100 HA LYS 100 2.384 1.524 -13.623 790 1HB LYS 100 1HB LYS 100 0.930 -0.991 -14.524 791 2HB LYS 100 2HB LYS 100 0.212 0.510 -13.940 792 1HG LYS 100 1HG LYS 100 1.217 1.715 -15.915 793 2HG LYS 100 2HG LYS 100 1.836 0.168 -16.504 794 1HD LYS 100 1HD LYS 100 -0.148 0.626 -17.718 795 2HD LYS 100 2HD LYS 100 -0.511 -0.703 -16.600 796 1HE LYS 100 1HE LYS 100 -1.613 0.863 -15.056 797 2HE LYS 100 2HE LYS 100 -1.140 2.239 -16.050 798 1HZ LYS 100 1HZ LYS 100 -3.437 1.621 -16.413 799 2HZ LYS 100 2HZ LYS 100 -2.586 1.412 -17.796 800 3HZ LYS 100 3HZ LYS 100 -3.017 0.112 -16.898 801 H VAL 101 H VAL 101 3.877 -1.396 -12.754 802 HA VAL 101 HA VAL 101 2.612 -1.475 -10.074 803 HB VAL 101 HB VAL 101 4.987 -3.003 -11.247 804 1HG1 VAL 101 1HG1 VAL 101 3.337 -3.588 -8.749 805 2HG1 VAL 101 2HG1 VAL 101 4.754 -4.480 -9.357 806 3HG1 VAL 101 3HG1 VAL 101 4.947 -2.844 -8.732 807 1HG2 VAL 101 1HG2 VAL 101 2.109 -3.962 -10.871 808 2HG2 VAL 101 2HG2 VAL 101 2.883 -3.626 -12.428 809 3HG2 VAL 101 3HG2 VAL 101 3.489 -4.938 -11.435 810 H MET 102 H MET 102 3.492 -0.243 -8.417 811 HA MET 102 HA MET 102 6.029 1.256 -8.994 812 1HB MET 102 1HB MET 102 3.555 2.352 -7.615 813 2HB MET 102 2HB MET 102 4.941 3.251 -8.222 814 1HG MET 102 1HG MET 102 2.877 1.796 -9.927 815 2HG MET 102 2HG MET 102 2.844 3.497 -9.544 816 1HE MET 102 1HE MET 102 5.015 5.136 -10.141 817 2HE MET 102 2HE MET 102 5.086 5.252 -11.915 818 3HE MET 102 3HE MET 102 3.510 5.230 -11.090 819 H LEU 103 H LEU 103 7.456 1.365 -7.255 820 HA LEU 103 HA LEU 103 6.845 0.118 -4.728 821 1HB LEU 103 1HB LEU 103 9.159 0.721 -5.985 822 2HB LEU 103 2HB LEU 103 9.044 2.180 -5.027 823 HG LEU 103 HG LEU 103 9.028 -0.685 -3.960 824 1HD1 LEU 103 1HD1 LEU 103 11.164 1.488 -3.780 825 2HD1 LEU 103 2HD1 LEU 103 11.255 -0.147 -3.085 826 3HD1 LEU 103 3HD1 LEU 103 11.220 0.068 -4.846 827 1HD2 LEU 103 1HD2 LEU 103 7.766 0.679 -2.397 828 2HD2 LEU 103 2HD2 LEU 103 9.349 0.386 -1.729 829 3HD2 LEU 103 3HD2 LEU 103 9.024 1.965 -2.452 830 H PHE 104 H PHE 104 5.616 1.083 -3.085 831 HA PHE 104 HA PHE 104 4.438 3.591 -3.518 832 1HB PHE 104 1HB PHE 104 3.549 1.720 -2.102 833 2HB PHE 104 2HB PHE 104 4.736 2.128 -0.867 834 HD1 PHE 104 HD1 PHE 104 3.446 2.921 0.955 835 HD2 PHE 104 HD2 PHE 104 2.546 4.374 -2.997 836 HE1 PHE 104 HE1 PHE 104 1.672 4.406 1.884 837 HE2 PHE 104 HE2 PHE 104 0.838 5.860 -2.079 838 HZ PHE 104 HZ PHE 104 0.285 5.789 0.324 839 H GLY 105 H GLY 105 7.307 2.741 -1.554 840 1HA GLY 105 1HA GLY 105 7.629 5.444 -0.527 841 2HA GLY 105 2HA GLY 105 8.719 4.074 -0.301 842 H HIS 106 H HIS 106 7.904 4.754 -3.637 843 HA HIS 106 HA HIS 106 10.493 4.969 -4.519 844 1HB HIS 106 1HB HIS 106 8.783 4.512 -6.041 845 2HB HIS 106 2HB HIS 106 7.890 5.983 -5.636 846 HD1 HIS 106 HD1 HIS 106 11.115 4.959 -7.597 847 HD2 HIS 106 HD2 HIS 106 8.387 8.142 -7.032 848 HE1 HIS 106 HE1 HIS 106 11.673 6.712 -9.343 849 H TRP 107 H TRP 107 8.362 7.765 -3.677 850 HA TRP 107 HA TRP 107 10.124 9.748 -4.596 851 1HB TRP 107 1HB TRP 107 8.266 10.119 -2.241 852 2HB TRP 107 2HB TRP 107 8.723 11.295 -3.463 853 HD1 TRP 107 HD1 TRP 107 6.203 8.660 -2.627 854 HE1 TRP 107 HE1 TRP 107 4.418 8.470 -4.416 855 HE3 TRP 107 HE3 TRP 107 8.355 11.595 -6.253 856 HZ2 TRP 107 HZ2 TRP 107 3.903 9.505 -7.062 857 HZ3 TRP 107 HZ3 TRP 107 7.157 11.996 -8.390 858 HH2 TRP 107 HH2 TRP 107 4.909 10.982 -8.781 859 H ASP 108 H ASP 108 10.115 7.958 -1.542 860 HA ASP 108 HA ASP 108 12.093 9.815 -0.316 861 1HB ASP 108 1HB ASP 108 10.134 9.036 1.027 862 2HB ASP 108 2HB ASP 108 10.714 7.378 0.875 863 H ASN 109 H ASN 109 13.297 9.174 -2.334 864 HA ASN 109 HA ASN 109 15.041 8.087 -3.303 865 1HB ASN 109 1HB ASN 109 15.994 9.199 -1.311 866 2HB ASN 109 2HB ASN 109 15.772 7.712 -0.388 867 1HD2 ASN 109 2HD2 ASN 109 17.913 7.344 0.063 868 2HD2 ASN 109 1HD2 ASN 109 19.128 6.976 -1.141 869 H GLU 110 H GLU 110 12.830 6.433 -3.277 870 HA GLU 110 HA GLU 110 12.063 4.326 -3.306 871 1HB GLU 110 1HB GLU 110 14.816 3.666 -4.404 872 2HB GLU 110 2HB GLU 110 13.300 2.783 -4.666 873 1HG GLU 110 1HG GLU 110 12.385 5.041 -5.564 874 2HG GLU 110 2HG GLU 110 14.070 5.533 -5.685 875 H CYS 111 H CYS 111 12.788 4.966 -0.745 876 HA CYS 111 HA CYS 111 14.077 2.729 0.565 877 1HB CYS 111 1HB CYS 111 12.103 4.865 1.452 878 2HB CYS 111 2HB CYS 111 12.684 3.582 2.539 879 HG CYS 111 HG CYS 111 14.288 5.938 0.927 880 H GLU 112 H GLU 112 13.328 0.682 0.457 881 HA GLU 112 HA GLU 112 10.573 0.028 -0.078 882 1HB GLU 112 1HB GLU 112 11.178 -2.222 0.413 883 2HB GLU 112 2HB GLU 112 12.361 -1.526 -0.664 884 1HG GLU 112 1HG GLU 112 12.709 -1.985 2.340 885 2HG GLU 112 2HG GLU 112 13.294 -3.048 1.068 886 H ILE 113 H ILE 113 9.019 -0.842 1.370 887 HA ILE 113 HA ILE 113 9.126 0.476 3.990 888 HB ILE 113 HB ILE 113 6.853 -1.201 2.930 889 1HG1 ILE 113 1HG1 ILE 113 7.235 0.373 1.120 890 2HG1 ILE 113 2HG1 ILE 113 5.763 0.752 1.979 891 1HG2 ILE 113 1HG2 ILE 113 6.919 1.130 4.880 892 2HG2 ILE 113 2HG2 ILE 113 5.488 0.200 4.380 893 3HG2 ILE 113 3HG2 ILE 113 6.770 -0.592 5.288 894 1HD1 ILE 113 1HD1 ILE 113 7.037 2.759 1.332 895 2HD1 ILE 113 2HD1 ILE 113 6.781 2.649 3.076 896 3HD1 ILE 113 3HD1 ILE 113 8.378 2.253 2.376 897 HA PRO 114 HA PRO 114 10.394 -3.494 5.865 898 1HB PRO 114 1HB PRO 114 9.224 -2.289 8.350 899 2HB PRO 114 2HB PRO 114 10.818 -3.050 8.109 900 1HG PRO 114 1HG PRO 114 10.550 -0.337 8.286 901 2HG PRO 114 2HG PRO 114 11.717 -1.089 7.152 902 1HD PRO 114 1HD PRO 114 8.985 0.050 6.545 903 2HD PRO 114 2HD PRO 114 10.513 0.178 5.622 904 H ASP 115 H ASP 115 9.252 -5.117 7.427 905 HA ASP 115 HA ASP 115 6.323 -5.274 6.859 906 1HB ASP 115 1HB ASP 115 7.249 -6.973 5.530 907 2HB ASP 115 2HB ASP 115 8.466 -7.389 6.746 908 HA PRO 116 HA PRO 116 6.892 -5.223 11.339 909 1HB PRO 116 1HB PRO 116 4.564 -4.156 12.128 910 2HB PRO 116 2HB PRO 116 5.718 -3.196 11.160 911 1HG PRO 116 1HG PRO 116 3.270 -4.696 10.188 912 2HG PRO 116 2HG PRO 116 3.748 -3.011 9.815 913 1HD PRO 116 1HD PRO 116 4.326 -5.213 8.209 914 2HD PRO 116 2HD PRO 116 5.320 -3.733 8.226 915 H TYR 117 H TYR 117 4.854 -7.342 9.518 916 HA TYR 117 HA TYR 117 3.061 -8.331 11.365 917 1HB TYR 117 1HB TYR 117 3.062 -8.798 8.966 918 2HB TYR 117 2HB TYR 117 4.582 -9.676 9.111 919 HD1 TYR 117 HD1 TYR 117 1.259 -9.800 10.895 920 HD2 TYR 117 HD2 TYR 117 4.322 -11.922 8.742 921 HE1 TYR 117 HE1 TYR 117 0.004 -11.928 11.219 922 HE2 TYR 117 HE2 TYR 117 3.067 -14.048 9.018 923 HH TYR 117 HH TYR 117 1.170 -15.068 9.914 924 H ARG 118 H ARG 118 3.177 -9.561 13.141 925 HA ARG 118 HA ARG 118 3.941 -10.724 14.880 926 1HB ARG 118 1HB ARG 118 5.744 -12.127 12.879 927 2HB ARG 118 2HB ARG 118 5.373 -12.690 14.506 928 1HG ARG 118 1HG ARG 118 2.978 -12.855 13.960 929 2HG ARG 118 2HG ARG 118 3.300 -12.317 12.309 930 1HD ARG 118 1HD ARG 118 4.465 -14.822 13.586 931 2HD ARG 118 2HD ARG 118 3.053 -14.780 12.514 932 HE ARG 118 HE ARG 118 5.120 -13.491 11.140 933 1HH1 ARG 118 1HH2 ARG 118 4.449 -16.760 12.345 934 2HH1 ARG 118 2HH2 ARG 118 5.378 -17.557 11.131 935 1HH2 ARG 118 1HH1 ARG 118 6.388 -14.549 9.530 936 2HH2 ARG 118 2HH1 ARG 118 6.497 -16.265 9.493 937 H LYS 119 H LYS 119 5.422 -8.144 14.134 938 HA LYS 119 HA LYS 119 7.736 -8.630 15.975 939 1HB LYS 119 1HB LYS 119 7.529 -6.615 13.708 940 2HB LYS 119 2HB LYS 119 8.901 -6.803 14.803 941 1HG LYS 119 1HG LYS 119 9.359 -9.051 13.979 942 2HG LYS 119 2HG LYS 119 7.904 -9.035 12.997 943 1HD LYS 119 1HD LYS 119 8.938 -6.969 11.797 944 2HD LYS 119 2HD LYS 119 10.447 -7.474 12.569 945 1HE LYS 119 1HE LYS 119 10.444 -8.500 10.419 946 2HE LYS 119 2HE LYS 119 10.054 -9.796 11.557 947 1HZ LYS 119 1HZ LYS 119 7.681 -9.466 10.942 948 2HZ LYS 119 2HZ LYS 119 8.130 -8.285 9.884 949 3HZ LYS 119 3HZ LYS 119 8.589 -9.827 9.623 950 H SER 120 H SER 120 8.421 -6.352 16.932 951 HA SER 120 HA SER 120 6.421 -5.812 18.835 952 1HB SER 120 1HB SER 120 8.839 -4.088 18.155 953 2HB SER 120 2HB SER 120 8.027 -4.228 19.725 954 HG SER 120 HG SER 120 9.934 -5.497 19.616 955 H ARG 121 H ARG 121 5.390 -3.731 19.391 956 HA ARG 121 HA ARG 121 3.943 -2.540 17.288 957 1HB ARG 121 1HB ARG 121 3.339 -2.581 19.728 958 2HB ARG 121 2HB ARG 121 4.548 -1.320 20.015 959 1HG ARG 121 1HG ARG 121 3.283 0.201 18.470 960 2HG ARG 121 2HG ARG 121 2.097 -1.090 18.204 961 1HD ARG 121 1HD ARG 121 1.631 -1.102 20.670 962 2HD ARG 121 2HD ARG 121 2.721 0.268 20.867 963 HE ARG 121 HE ARG 121 0.007 0.234 19.809 964 1HH1 ARG 121 1HH1 ARG 121 2.998 2.219 19.952 965 2HH1 ARG 121 2HH1 ARG 121 2.097 3.699 19.670 966 1HH2 ARG 121 1HH2 ARG 121 -1.052 2.340 19.453 967 2HH2 ARG 121 2HH2 ARG 121 -0.014 3.748 19.405 968 H GLU 122 H GLU 122 7.100 -1.594 18.653 969 HA GLU 122 HA GLU 122 7.334 0.951 17.496 970 1HB GLU 122 1HB GLU 122 8.878 -0.203 19.156 971 2HB GLU 122 2HB GLU 122 9.519 -1.150 17.818 972 1HG GLU 122 1HG GLU 122 11.040 0.641 18.226 973 2HG GLU 122 2HG GLU 122 10.239 1.005 16.708 974 H THR 123 H THR 123 7.647 -2.284 15.992 975 HA THR 123 HA THR 123 8.821 -1.323 13.534 976 HB THR 123 HB THR 123 7.115 -3.787 13.495 977 HG1 THR 123 1HG THR 123 7.882 -4.158 15.446 978 1HG2 THR 123 1HG2 THR 123 10.001 -3.215 12.686 979 2HG2 THR 123 2HG2 THR 123 9.100 -4.707 12.353 980 3HG2 THR 123 3HG2 THR 123 8.589 -3.184 11.606 981 H PHE 124 H PHE 124 5.448 -1.949 14.677 982 HA PHE 124 HA PHE 124 4.204 -1.309 12.163 983 1HB PHE 124 1HB PHE 124 3.182 -1.281 15.029 984 2HB PHE 124 2HB PHE 124 2.186 -0.866 13.645 985 HD1 PHE 124 HD1 PHE 124 1.329 -2.542 12.127 986 HD2 PHE 124 HD2 PHE 124 4.017 -3.650 15.314 987 HE1 PHE 124 HE1 PHE 124 0.754 -4.941 11.806 988 HE2 PHE 124 HE2 PHE 124 3.443 -6.029 14.966 989 HZ PHE 124 HZ PHE 124 1.808 -6.680 13.216 990 H ALA 125 H ALA 125 5.163 0.692 15.008 991 HA ALA 125 HA ALA 125 4.036 3.126 14.036 992 1HB ALA 125 1HB ALA 125 4.739 2.775 16.378 993 2HB ALA 125 2HB ALA 125 6.441 2.711 15.861 994 3HB ALA 125 3HB ALA 125 5.510 4.207 15.664 995 H ALA 126 H ALA 126 7.354 1.744 13.619 996 HA ALA 126 HA ALA 126 8.390 3.893 12.072 997 1HB ALA 126 1HB ALA 126 9.794 2.124 13.072 998 2HB ALA 126 2HB ALA 126 9.081 0.917 11.977 999 3HB ALA 126 3HB ALA 126 10.066 2.241 11.322 1000 H VAL 127 H VAL 127 6.760 0.842 11.035 1001 HA VAL 127 HA VAL 127 6.831 1.413 8.257 1002 HB VAL 127 HB VAL 127 5.096 -0.361 10.005 1003 1HG1 VAL 127 1HG1 VAL 127 4.357 -1.513 7.907 1004 2HG1 VAL 127 2HG1 VAL 127 3.665 0.097 8.100 1005 3HG1 VAL 127 3HG1 VAL 127 5.010 -0.156 6.967 1006 1HG2 VAL 127 1HG2 VAL 127 7.561 -0.875 9.641 1007 2HG2 VAL 127 2HG2 VAL 127 6.478 -2.127 9.054 1008 3HG2 VAL 127 3HG2 VAL 127 7.218 -0.998 7.904 1009 H TYR 128 H TYR 128 4.248 2.198 10.715 1010 HA TYR 128 HA TYR 128 2.498 3.437 8.892 1011 1HB TYR 128 1HB TYR 128 1.938 2.915 11.239 1012 2HB TYR 128 2HB TYR 128 3.039 4.166 11.802 1013 HD1 TYR 128 HD1 TYR 128 -0.319 3.446 10.648 1014 HD2 TYR 128 HD2 TYR 128 2.565 6.625 11.127 1015 HE1 TYR 128 HE1 TYR 128 -2.112 5.122 10.366 1016 HE2 TYR 128 HE2 TYR 128 0.801 8.297 10.749 1017 HH TYR 128 HH TYR 128 -2.647 7.377 10.283 1018 H THR 129 H THR 129 5.302 4.855 10.691 1019 HA THR 129 HA THR 129 4.854 7.511 9.791 1020 HB THR 129 HB THR 129 7.477 6.179 10.609 1021 HG1 THR 129 1HG THR 129 5.986 5.862 12.220 1022 1HG2 THR 129 1HG2 THR 129 7.830 8.430 9.670 1023 2HG2 THR 129 2HG2 THR 129 6.571 9.094 10.733 1024 3HG2 THR 129 3HG2 THR 129 8.080 8.447 11.420 1025 H LEU 130 H LEU 130 6.928 4.886 8.412 1026 HA LEU 130 HA LEU 130 7.926 6.515 6.272 1027 1HB LEU 130 1HB LEU 130 9.059 4.526 7.122 1028 2HB LEU 130 2HB LEU 130 7.698 3.505 6.650 1029 HG LEU 130 HG LEU 130 8.145 3.884 4.296 1030 1HD1 LEU 130 1HD1 LEU 130 10.493 5.615 5.158 1031 2HD1 LEU 130 2HD1 LEU 130 10.153 5.084 3.499 1032 3HD1 LEU 130 3HD1 LEU 130 9.046 6.197 4.300 1033 1HD2 LEU 130 1HD2 LEU 130 10.272 2.692 4.153 1034 2HD2 LEU 130 2HD2 LEU 130 10.687 3.187 5.813 1035 3HD2 LEU 130 3HD2 LEU 130 9.309 2.111 5.526 1036 H LEU 131 H LEU 131 5.088 4.329 6.550 1037 HA LEU 131 HA LEU 131 4.264 4.580 3.807 1038 1HB LEU 131 1HB LEU 131 2.756 3.919 6.372 1039 2HB LEU 131 2HB LEU 131 1.977 3.970 4.798 1040 HG LEU 131 HG LEU 131 4.292 2.102 5.475 1041 1HD1 LEU 131 1HD1 LEU 131 1.315 1.524 5.181 1042 2HD1 LEU 131 2HD1 LEU 131 2.594 0.336 5.506 1043 3HD1 LEU 131 3HD1 LEU 131 2.211 1.564 6.722 1044 1HD2 LEU 131 1HD2 LEU 131 3.515 0.950 3.371 1045 2HD2 LEU 131 2HD2 LEU 131 2.503 2.361 3.037 1046 3HD2 LEU 131 3HD2 LEU 131 4.276 2.519 3.107 1047 H GLU 132 H GLU 132 3.615 6.563 6.747 1048 HA GLU 132 HA GLU 132 1.718 8.280 5.506 1049 1HB GLU 132 1HB GLU 132 2.007 8.134 7.926 1050 2HB GLU 132 2HB GLU 132 3.641 8.801 7.809 1051 1HG GLU 132 1HG GLU 132 2.740 10.922 6.930 1052 2HG GLU 132 2HG GLU 132 1.111 10.239 6.940 1053 H ARG 133 H ARG 133 5.332 8.595 5.810 1054 HA ARG 133 HA ARG 133 5.521 10.982 4.275 1055 1HB ARG 133 1HB ARG 133 7.493 8.640 4.357 1056 2HB ARG 133 2HB ARG 133 7.801 10.226 3.654 1057 1HG ARG 133 1HG ARG 133 7.132 11.128 6.041 1058 2HG ARG 133 2HG ARG 133 7.496 9.477 6.557 1059 1HD ARG 133 1HD ARG 133 9.375 11.368 5.072 1060 2HD ARG 133 2HD ARG 133 9.439 11.023 6.791 1061 HE ARG 133 HE ARG 133 10.309 9.286 4.551 1062 1HH1 ARG 133 1HH2 ARG 133 9.835 9.485 8.079 1063 2HH1 ARG 133 2HH2 ARG 133 11.017 8.273 8.415 1064 1HH2 ARG 133 1HH1 ARG 133 11.779 7.799 4.952 1065 2HH2 ARG 133 2HH1 ARG 133 12.203 7.266 6.571 1066 H SER 134 H SER 134 5.491 7.579 3.190 1067 HA SER 134 HA SER 134 5.871 8.080 0.435 1068 1HB SER 134 1HB SER 134 4.261 5.832 1.724 1069 2HB SER 134 2HB SER 134 4.959 5.839 0.102 1070 HG SER 134 HG SER 134 6.341 5.876 2.605 1071 H ALA 135 H ALA 135 2.793 7.701 2.285 1072 HA ALA 135 HA ALA 135 1.085 8.150 0.077 1073 1HB ALA 135 1HB ALA 135 0.569 8.673 3.037 1074 2HB ALA 135 2HB ALA 135 -0.660 8.437 1.772 1075 3HB ALA 135 3HB ALA 135 0.405 7.095 2.241 1076 H ARG 136 H ARG 136 2.603 10.480 2.372 1077 HA ARG 136 HA ARG 136 0.974 12.723 1.557 1078 1HB ARG 136 1HB ARG 136 2.259 12.646 3.696 1079 2HB ARG 136 2HB ARG 136 3.773 12.595 2.783 1080 1HG ARG 136 1HG ARG 136 3.104 14.846 1.757 1081 2HG ARG 136 2HG ARG 136 1.757 14.882 2.906 1082 1HD ARG 136 1HD ARG 136 3.343 14.788 4.785 1083 2HD ARG 136 2HD ARG 136 4.706 14.615 3.673 1084 HE ARG 136 HE ARG 136 3.272 17.039 4.382 1085 1HH1 ARG 136 1HH2 ARG 136 5.351 15.578 1.860 1086 2HH1 ARG 136 2HH2 ARG 136 5.943 17.105 1.307 1087 1HH2 ARG 136 1HH1 ARG 136 4.045 19.042 3.592 1088 2HH2 ARG 136 2HH1 ARG 136 5.167 19.105 2.289 1089 H GLN 137 H GLN 137 4.206 11.448 0.598 1090 HA GLN 137 HA GLN 137 4.695 13.522 -1.276 1091 1HB GLN 137 1HB GLN 137 5.883 10.800 -0.708 1092 2HB GLN 137 2HB GLN 137 6.330 11.686 -2.162 1093 1HG GLN 137 1HG GLN 137 7.914 12.056 -0.350 1094 2HG GLN 137 2HG GLN 137 7.192 13.538 -0.961 1095 1HE2 GLN 137 2HE2 GLN 137 8.159 11.994 1.851 1096 2HE2 GLN 137 1HE2 GLN 137 7.223 12.942 2.981 1097 H TRP 138 H TRP 138 3.218 10.233 -1.724 1098 HA TRP 138 HA TRP 138 2.714 10.498 -4.489 1099 1HB TRP 138 1HB TRP 138 1.371 8.974 -2.254 1100 2HB TRP 138 2HB TRP 138 0.537 9.139 -3.791 1101 HD1 TRP 138 HD1 TRP 138 3.461 7.322 -2.226 1102 HE1 TRP 138 HE1 TRP 138 4.573 5.787 -3.877 1103 HE3 TRP 138 HE3 TRP 138 0.825 8.662 -6.409 1104 HZ2 TRP 138 HZ2 TRP 138 4.262 5.064 -6.695 1105 HZ3 TRP 138 HZ3 TRP 138 1.243 7.509 -8.564 1106 HH2 TRP 138 HH2 TRP 138 2.958 5.722 -8.720 1107 H ALA 139 H ALA 139 0.682 11.631 -1.692 1108 HA ALA 139 HA ALA 139 -1.352 12.693 -3.325 1109 1HB ALA 139 1HB ALA 139 -0.440 13.646 -0.573 1110 2HB ALA 139 2HB ALA 139 -2.006 13.972 -1.339 1111 3HB ALA 139 3HB ALA 139 -1.563 12.305 -0.898 1112 H GLN 140 H GLN 140 1.648 14.287 -2.105 1113 HA GLN 140 HA GLN 140 1.089 16.848 -3.234 1114 1HB GLN 140 1HB GLN 140 3.706 15.416 -2.601 1115 2HB GLN 140 2HB GLN 140 3.651 17.054 -3.241 1116 1HG GLN 140 1HG GLN 140 2.375 16.165 -0.625 1117 2HG GLN 140 2HG GLN 140 3.908 17.022 -0.799 1118 1HE2 GLN 140 2HE2 GLN 140 3.752 19.210 -2.051 1119 2HE2 GLN 140 1HE2 GLN 140 2.351 20.187 -1.705 1120 H ALA 141 H ALA 141 2.685 13.934 -4.665 1121 HA ALA 141 HA ALA 141 3.412 15.298 -7.073 1122 1HB ALA 141 1HB ALA 141 3.879 13.051 -7.909 1123 2HB ALA 141 2HB ALA 141 4.491 13.218 -6.255 1124 3HB ALA 141 3HB ALA 141 2.985 12.320 -6.559 1125 H LEU 142 H LEU 142 0.565 13.304 -6.172 1126 HA LEU 142 HA LEU 142 -0.734 13.449 -8.726 1127 1HB LEU 142 1HB LEU 142 -1.843 13.134 -5.908 1128 2HB LEU 142 2HB LEU 142 -2.823 12.990 -7.364 1129 HG LEU 142 HG LEU 142 -0.434 11.200 -6.733 1130 1HD1 LEU 142 1HD1 LEU 142 -3.413 10.642 -6.457 1131 2HD1 LEU 142 2HD1 LEU 142 -2.097 9.475 -6.195 1132 3HD1 LEU 142 3HD1 LEU 142 -2.266 10.873 -5.123 1133 1HD2 LEU 142 1HD2 LEU 142 -2.545 10.973 -8.907 1134 2HD2 LEU 142 2HD2 LEU 142 -0.814 11.300 -9.138 1135 3HD2 LEU 142 3HD2 LEU 142 -1.329 9.742 -8.497 1136 H ASN 143 H ASN 143 -0.920 15.601 -5.834 1137 HA ASN 143 HA ASN 143 -2.786 17.463 -6.929 1138 1HB ASN 143 1HB ASN 143 -0.657 17.633 -4.780 1139 2HB ASN 143 2HB ASN 143 -1.352 19.115 -5.403 1140 1HD2 ASN 143 2HD2 ASN 143 -2.193 16.066 -3.740 1141 2HD2 ASN 143 1HD2 ASN 143 -3.683 16.679 -3.057 1142 H ALA 144 H ALA 144 0.783 17.277 -7.180 1143 HA ALA 144 HA ALA 144 0.917 19.643 -8.803 1144 1HB ALA 144 1HB ALA 144 3.052 17.537 -8.176 1145 2HB ALA 144 2HB ALA 144 3.361 19.175 -8.792 1146 3HB ALA 144 3HB ALA 144 2.706 18.951 -7.157 1147 H GLU 145 H GLU 145 -0.412 17.137 -9.636 1148 HA GLU 145 HA GLU 145 -0.749 15.749 -11.439 1149 1HB GLU 145 1HB GLU 145 -1.904 18.053 -11.537 1150 2HB GLU 145 2HB GLU 145 -0.804 18.426 -12.863 1151 1HG GLU 145 1HG GLU 145 -1.707 16.413 -14.096 1152 2HG GLU 145 2HG GLU 145 -2.753 16.070 -12.724 1153 H GLN 146 H GLN 146 1.990 15.549 -11.067 1154 HA GLN 146 HA GLN 146 3.272 15.755 -13.648 1155 1HB GLN 146 1HB GLN 146 4.939 14.123 -12.691 1156 2HB GLN 146 2HB GLN 146 4.787 15.673 -11.887 1157 1HG GLN 146 1HG GLN 146 5.101 13.874 -10.281 1158 2HG GLN 146 2HG GLN 146 3.581 14.701 -10.036 1159 1HE2 GLN 146 2HE2 GLN 146 1.804 13.361 -9.743 1160 2HE2 GLN 146 1HE2 GLN 146 1.720 11.685 -10.258 1161 H VAL 147 H VAL 147 3.874 13.962 -14.974 1162 HA VAL 147 HA VAL 147 2.011 11.710 -15.181 1163 HB VAL 147 HB VAL 147 1.591 12.472 -17.603 1164 1HG1 VAL 147 1HG1 VAL 147 -0.153 12.455 -15.821 1165 2HG1 VAL 147 2HG1 VAL 147 0.254 14.141 -15.432 1166 3HG1 VAL 147 3HG1 VAL 147 -0.399 13.727 -17.027 1167 1HG2 VAL 147 1HG2 VAL 147 1.567 14.876 -18.074 1168 2HG2 VAL 147 2HG2 VAL 147 2.249 15.247 -16.477 1169 3HG2 VAL 147 3HG2 VAL 147 3.214 14.370 -17.687 Start of MODEL 12 1 H MET 1 H MET 1 -4.012 12.501 -14.301 2 HA MET 1 HA MET 1 -3.817 11.410 -12.246 3 1HB MET 1 1HB MET 1 -5.620 13.099 -12.484 4 2HB MET 1 2HB MET 1 -6.758 11.829 -12.943 5 1HG MET 1 1HG MET 1 -7.020 12.442 -10.610 6 2HG MET 1 2HG MET 1 -6.500 10.768 -10.747 7 1HE MET 1 1HE MET 1 -6.585 12.470 -8.125 8 2HE MET 1 2HE MET 1 -5.999 10.789 -8.121 9 3HE MET 1 3HE MET 1 -5.047 12.066 -7.336 10 H PHE 2 H PHE 2 -3.233 9.301 -11.806 11 HA PHE 2 HA PHE 2 -4.977 7.063 -12.606 12 1HB PHE 2 1HB PHE 2 -3.266 5.730 -11.260 13 2HB PHE 2 2HB PHE 2 -2.831 6.390 -12.815 14 HD1 PHE 2 HD1 PHE 2 -2.221 6.729 -9.158 15 HD2 PHE 2 HD2 PHE 2 -1.072 7.973 -13.125 16 HE1 PHE 2 HE1 PHE 2 -0.154 7.738 -8.244 17 HE2 PHE 2 HE2 PHE 2 1.011 8.952 -12.211 18 HZ PHE 2 HZ PHE 2 1.475 8.847 -9.767 19 H ASN 3 H ASN 3 -6.840 8.072 -11.521 20 HA ASN 3 HA ASN 3 -6.776 8.537 -8.703 21 1HB ASN 3 1HB ASN 3 -8.384 9.539 -10.476 22 2HB ASN 3 2HB ASN 3 -9.308 8.049 -10.309 23 1HD2 ASN 3 2HD2 ASN 3 -10.955 8.196 -8.717 24 2HD2 ASN 3 1HD2 ASN 3 -10.903 9.293 -7.348 25 H ASN 4 H ASN 4 -6.687 5.568 -10.221 26 HA ASN 4 HA ASN 4 -8.332 4.153 -8.149 27 1HB ASN 4 1HB ASN 4 -9.357 4.305 -10.439 28 2HB ASN 4 2HB ASN 4 -7.907 3.547 -11.112 29 1HD2 ASN 4 2HD2 ASN 4 -9.391 1.930 -11.983 30 2HD2 ASN 4 1HD2 ASN 4 -9.764 0.563 -10.968 31 H ILE 5 H ILE 5 -6.817 3.257 -6.782 32 HA ILE 5 HA ILE 5 -4.333 2.086 -7.974 33 HB ILE 5 HB ILE 5 -4.739 3.784 -5.496 34 1HG1 ILE 5 1HG1 ILE 5 -3.110 4.459 -7.984 35 2HG1 ILE 5 2HG1 ILE 5 -4.750 5.030 -7.700 36 1HG2 ILE 5 1HG2 ILE 5 -2.104 2.625 -6.482 37 2HG2 ILE 5 2HG2 ILE 5 -2.288 3.777 -5.139 38 3HG2 ILE 5 3HG2 ILE 5 -2.952 2.178 -4.984 39 1HD1 ILE 5 1HD1 ILE 5 -4.005 6.108 -5.586 40 2HD1 ILE 5 2HD1 ILE 5 -2.319 5.781 -6.084 41 3HD1 ILE 5 3HD1 ILE 5 -3.363 6.801 -7.084 42 H LEU 6 H LEU 6 -3.354 0.356 -6.841 43 HA LEU 6 HA LEU 6 -4.978 -0.939 -4.667 44 1HB LEU 6 1HB LEU 6 -5.186 -2.127 -6.847 45 2HB LEU 6 2HB LEU 6 -3.437 -2.247 -6.947 46 HG LEU 6 HG LEU 6 -3.439 -3.702 -4.918 47 1HD1 LEU 6 1HD1 LEU 6 -5.455 -2.993 -3.780 48 2HD1 LEU 6 2HD1 LEU 6 -6.468 -3.454 -5.160 49 3HD1 LEU 6 3HD1 LEU 6 -5.636 -4.691 -4.198 50 1HD2 LEU 6 1HD2 LEU 6 -5.242 -4.605 -7.203 51 2HD2 LEU 6 2HD2 LEU 6 -3.471 -4.716 -7.140 52 3HD2 LEU 6 3HD2 LEU 6 -4.458 -5.674 -6.026 53 H VAL 7 H VAL 7 -3.701 -1.620 -2.899 54 HA VAL 7 HA VAL 7 -0.738 -1.356 -3.194 55 HB VAL 7 HB VAL 7 -2.345 -1.146 -0.619 56 1HG1 VAL 7 1HG1 VAL 7 -0.001 -1.860 -0.307 57 2HG1 VAL 7 2HG1 VAL 7 0.565 -0.511 -1.315 58 3HG1 VAL 7 3HG1 VAL 7 -0.203 -0.202 0.251 59 1HG2 VAL 7 1HG2 VAL 7 -1.862 1.286 -0.676 60 2HG2 VAL 7 2HG2 VAL 7 -1.192 1.118 -2.314 61 3HG2 VAL 7 3HG2 VAL 7 -2.912 0.803 -2.005 62 H VAL 8 H VAL 8 0.497 -3.129 -2.698 63 HA VAL 8 HA VAL 8 -0.968 -5.587 -1.886 64 HB VAL 8 HB VAL 8 1.168 -5.399 -4.032 65 1HG1 VAL 8 1HG1 VAL 8 -0.837 -7.600 -3.346 66 2HG1 VAL 8 2HG1 VAL 8 0.366 -7.656 -4.640 67 3HG1 VAL 8 3HG1 VAL 8 0.907 -7.640 -2.963 68 1HG2 VAL 8 1HG2 VAL 8 -1.870 -5.452 -4.319 69 2HG2 VAL 8 2HG2 VAL 8 -0.760 -4.187 -4.897 70 3HG2 VAL 8 3HG2 VAL 8 -0.739 -5.777 -5.644 71 H CYS 9 H CYS 9 0.001 -6.884 -0.391 72 HA CYS 9 HA CYS 9 2.854 -6.429 0.357 73 1HB CYS 9 1HB CYS 9 1.355 -4.905 1.659 74 2HB CYS 9 2HB CYS 9 0.457 -6.298 2.253 75 HG CYS 9 HG CYS 9 2.167 -7.270 3.806 76 H VAL 10 H VAL 10 3.266 -8.155 2.337 77 HA VAL 10 HA VAL 10 2.010 -10.760 1.514 78 HB VAL 10 HB VAL 10 3.930 -11.790 2.769 79 1HG1 VAL 10 1HG1 VAL 10 4.550 -10.201 0.244 80 2HG1 VAL 10 2HG1 VAL 10 5.516 -11.562 0.863 81 3HG1 VAL 10 3HG1 VAL 10 3.846 -11.825 0.344 82 1HG2 VAL 10 1HG2 VAL 10 5.261 -9.052 2.504 83 2HG2 VAL 10 2HG2 VAL 10 4.735 -9.797 4.028 84 3HG2 VAL 10 3HG2 VAL 10 6.012 -10.553 3.068 85 H GLY 11 H GLY 11 1.002 -11.931 3.269 86 1HA GLY 11 1HA GLY 11 -0.141 -12.086 5.279 87 2HA GLY 11 2HA GLY 11 0.755 -10.695 5.907 88 H ASN 12 H ASN 12 0.125 -8.823 3.830 89 HA ASN 12 HA ASN 12 -1.384 -7.475 2.867 90 1HB ASN 12 1HB ASN 12 -2.501 -9.527 2.076 91 2HB ASN 12 2HB ASN 12 -3.541 -9.504 3.501 92 1HD2 ASN 12 1HD2 ASN 12 -3.438 -6.230 2.873 93 2HD2 ASN 12 2HD2 ASN 12 -4.656 -6.192 1.609 94 H ILE 13 H ILE 13 -2.621 -8.826 5.928 95 HA ILE 13 HA ILE 13 -4.417 -6.785 6.500 96 HB ILE 13 HB ILE 13 -4.488 -7.796 8.746 97 1HG1 ILE 13 1HG1 ILE 13 -2.132 -9.534 7.871 98 2HG1 ILE 13 2HG1 ILE 13 -2.028 -8.191 9.004 99 1HG2 ILE 13 1HG2 ILE 13 -5.251 -9.981 8.047 100 2HG2 ILE 13 2HG2 ILE 13 -5.669 -8.806 6.811 101 3HG2 ILE 13 3HG2 ILE 13 -4.298 -9.916 6.555 102 1HD1 ILE 13 1HD1 ILE 13 -2.142 -10.195 10.291 103 2HD1 ILE 13 2HD1 ILE 13 -3.701 -9.367 10.482 104 3HD1 ILE 13 3HD1 ILE 13 -3.555 -10.775 9.401 105 H CYS 14 H CYS 14 -1.259 -5.961 6.319 106 HA CYS 14 HA CYS 14 -1.371 -4.154 8.706 107 1HB CYS 14 1HB CYS 14 1.119 -5.516 7.582 108 2HB CYS 14 2HB CYS 14 1.056 -4.356 8.916 109 HG CYS 14 HG CYS 14 -0.360 -7.324 8.652 110 H ARG 15 H ARG 15 0.923 -4.328 5.886 111 HA ARG 15 HA ARG 15 1.010 -1.453 5.983 112 1HB ARG 15 1HB ARG 15 2.243 -3.377 3.974 113 2HB ARG 15 2HB ARG 15 2.563 -1.644 4.048 114 1HG ARG 15 1HG ARG 15 3.399 -1.843 6.354 115 2HG ARG 15 2HG ARG 15 3.125 -3.585 6.340 116 1HD ARG 15 1HD ARG 15 5.062 -2.089 4.520 117 2HD ARG 15 2HD ARG 15 5.490 -2.981 5.984 118 HE ARG 15 HE ARG 15 4.035 -4.702 4.242 119 1HH1 ARG 15 1HH2 ARG 15 7.361 -3.419 4.683 120 2HH1 ARG 15 2HH2 ARG 15 7.999 -4.509 3.467 121 1HH2 ARG 15 1HH1 ARG 15 5.057 -6.128 2.683 122 2HH2 ARG 15 2HH1 ARG 15 6.790 -6.008 2.489 123 H SER 16 H SER 16 -0.521 -3.719 3.592 124 HA SER 16 HA SER 16 -1.240 -1.769 1.774 125 1HB SER 16 1HB SER 16 -3.023 -4.119 2.411 126 2HB SER 16 2HB SER 16 -2.819 -3.262 0.876 127 HG SER 16 HG SER 16 -1.652 -5.167 0.823 128 HA PRO 17 HA PRO 17 -5.361 -0.755 3.902 129 1HB PRO 17 1HB PRO 17 -5.738 -1.272 6.601 130 2HB PRO 17 2HB PRO 17 -6.305 -2.297 5.257 131 1HG PRO 17 1HG PRO 17 -3.799 -2.606 6.919 132 2HG PRO 17 2HG PRO 17 -4.962 -3.873 6.425 133 1HD PRO 17 1HD PRO 17 -2.643 -3.517 5.083 134 2HD PRO 17 2HD PRO 17 -4.156 -3.894 4.213 135 H THR 18 H THR 18 -2.344 -0.599 5.853 136 HA THR 18 HA THR 18 -3.031 1.869 7.172 137 HB THR 18 HB THR 18 -0.310 0.640 6.561 138 HG1 THR 18 1HG THR 18 -1.352 -0.786 7.808 139 1HG2 THR 18 1HG2 THR 18 0.417 1.942 8.566 140 2HG2 THR 18 2HG2 THR 18 -0.090 3.002 7.244 141 3HG2 THR 18 3HG2 THR 18 -1.186 2.722 8.609 142 H ALA 19 H ALA 19 -1.137 1.106 4.172 143 HA ALA 19 HA ALA 19 -0.641 3.844 3.489 144 1HB ALA 19 1HB ALA 19 0.675 2.035 2.512 145 2HB ALA 19 2HB ALA 19 -0.786 1.318 1.791 146 3HB ALA 19 3HB ALA 19 -0.194 2.886 1.209 147 H GLU 20 H GLU 20 -3.213 1.517 2.546 148 HA GLU 20 HA GLU 20 -4.618 3.043 0.685 149 1HB GLU 20 1HB GLU 20 -5.079 0.683 1.242 150 2HB GLU 20 2HB GLU 20 -5.615 1.156 2.856 151 1HG GLU 20 1HG GLU 20 -7.458 2.522 1.689 152 2HG GLU 20 2HG GLU 20 -6.986 1.652 0.227 153 H ARG 21 H ARG 21 -5.204 2.937 4.265 154 HA ARG 21 HA ARG 21 -7.234 4.955 4.000 155 1HB ARG 21 1HB ARG 21 -5.815 3.889 6.478 156 2HB ARG 21 2HB ARG 21 -7.286 4.870 6.469 157 1HG ARG 21 1HG ARG 21 -7.103 2.146 5.128 158 2HG ARG 21 2HG ARG 21 -7.674 2.403 6.766 159 1HD ARG 21 1HD ARG 21 -9.550 3.725 5.983 160 2HD ARG 21 2HD ARG 21 -8.938 3.716 4.324 161 HE ARG 21 HE ARG 21 -9.459 1.468 4.031 162 1HH1 ARG 21 1HH2 ARG 21 -10.225 2.369 7.427 163 2HH1 ARG 21 2HH2 ARG 21 -11.327 1.017 7.606 164 1HH2 ARG 21 1HH1 ARG 21 -10.861 -0.296 4.414 165 2HH2 ARG 21 2HH1 ARG 21 -11.612 -0.493 5.982 166 H LEU 22 H LEU 22 -3.766 5.165 4.795 167 HA LEU 22 HA LEU 22 -3.749 7.932 5.533 168 1HB LEU 22 1HB LEU 22 -1.755 6.032 4.276 169 2HB LEU 22 2HB LEU 22 -1.386 7.745 4.340 170 HG LEU 22 HG LEU 22 -2.183 6.244 6.861 171 1HD1 LEU 22 1HD1 LEU 22 0.278 6.045 7.308 172 2HD1 LEU 22 2HD1 LEU 22 -0.278 5.053 5.950 173 3HD1 LEU 22 3HD1 LEU 22 0.583 6.563 5.629 174 1HD2 LEU 22 1HD2 LEU 22 -0.881 8.091 7.925 175 2HD2 LEU 22 2HD2 LEU 22 -0.607 8.814 6.330 176 3HD2 LEU 22 3HD2 LEU 22 -2.248 8.709 6.997 177 H LEU 23 H LEU 23 -3.512 6.332 2.300 178 HA LEU 23 HA LEU 23 -3.320 8.795 0.851 179 1HB LEU 23 1HB LEU 23 -4.221 6.003 0.075 180 2HB LEU 23 2HB LEU 23 -4.107 7.325 -1.080 181 HG LEU 23 HG LEU 23 -1.709 6.522 0.592 182 1HD1 LEU 23 1HD1 LEU 23 -2.545 5.383 -2.111 183 2HD1 LEU 23 2HD1 LEU 23 -0.992 5.104 -1.309 184 3HD1 LEU 23 3HD1 LEU 23 -2.455 4.505 -0.557 185 1HD2 LEU 23 1HD2 LEU 23 -1.548 8.702 -0.552 186 2HD2 LEU 23 2HD2 LEU 23 -0.451 7.528 -1.283 187 3HD2 LEU 23 3HD2 LEU 23 -1.973 7.937 -2.097 188 H GLN 24 H GLN 24 -6.181 6.830 1.869 189 HA GLN 24 HA GLN 24 -8.091 8.456 0.502 190 1HB GLN 24 1HB GLN 24 -8.389 6.813 3.058 191 2HB GLN 24 2HB GLN 24 -9.714 7.586 2.202 192 1HG GLN 24 1HG GLN 24 -7.990 5.309 1.162 193 2HG GLN 24 2HG GLN 24 -9.678 5.245 1.631 194 1HE2 GLN 24 2HE2 GLN 24 -11.203 6.727 0.281 195 2HE2 GLN 24 1HE2 GLN 24 -10.769 6.958 -1.419 196 H ARG 25 H ARG 25 -6.611 8.800 3.803 197 HA ARG 25 HA ARG 25 -8.147 11.075 4.508 198 1HB ARG 25 1HB ARG 25 -6.957 9.979 6.228 199 2HB ARG 25 2HB ARG 25 -5.408 10.102 5.391 200 1HG ARG 25 1HG ARG 25 -5.205 12.428 5.796 201 2HG ARG 25 2HG ARG 25 -6.900 12.603 6.267 202 1HD ARG 25 1HD ARG 25 -4.945 10.895 7.851 203 2HD ARG 25 2HD ARG 25 -5.141 12.636 8.132 204 HE ARG 25 HE ARG 25 -7.717 11.657 8.167 205 1HH1 ARG 25 1HH2 ARG 25 -4.801 11.070 10.106 206 2HH1 ARG 25 2HH2 ARG 25 -5.660 10.616 11.537 207 1HH2 ARG 25 1HH1 ARG 25 -8.869 11.076 10.031 208 2HH2 ARG 25 2HH1 ARG 25 -8.056 10.482 11.431 209 H TYR 26 H TYR 26 -4.982 10.863 2.747 210 HA TYR 26 HA TYR 26 -4.751 13.688 2.485 211 1HB TYR 26 1HB TYR 26 -3.517 11.383 0.947 212 2HB TYR 26 2HB TYR 26 -3.211 13.063 0.536 213 HD1 TYR 26 HD1 TYR 26 -1.942 10.392 2.464 214 HD2 TYR 26 HD2 TYR 26 -2.567 14.659 2.579 215 HE1 TYR 26 HE1 TYR 26 -0.256 10.593 4.276 216 HE2 TYR 26 HE2 TYR 26 -0.897 14.866 4.384 217 HH TYR 26 HH TYR 26 0.506 13.734 5.838 218 H HIS 27 H HIS 27 -6.454 11.307 0.414 219 HA HIS 27 HA HIS 27 -7.681 13.582 -1.070 220 1HB HIS 27 1HB HIS 27 -6.321 11.150 -2.271 221 2HB HIS 27 2HB HIS 27 -7.403 12.232 -3.156 222 HD1 HIS 27 HD1 HIS 27 -6.453 14.880 -3.377 223 HD2 HIS 27 HD2 HIS 27 -3.793 11.804 -2.275 224 HE1 HIS 27 HE1 HIS 27 -4.105 15.762 -3.816 225 HA PRO 28 HA PRO 28 -10.939 10.691 0.460 226 1HB PRO 28 1HB PRO 28 -12.506 13.195 -0.184 227 2HB PRO 28 2HB PRO 28 -12.722 12.050 1.178 228 1HG PRO 28 1HG PRO 28 -11.443 14.403 1.578 229 2HG PRO 28 2HG PRO 28 -10.778 12.895 2.289 230 1HD PRO 28 1HD PRO 28 -9.895 14.335 -0.222 231 2HD PRO 28 2HD PRO 28 -8.902 13.608 1.079 232 H GLU 29 H GLU 29 -10.726 12.608 -2.533 233 HA GLU 29 HA GLU 29 -12.933 11.226 -3.852 234 1HB GLU 29 1HB GLU 29 -12.266 13.621 -4.194 235 2HB GLU 29 2HB GLU 29 -10.781 13.072 -4.978 236 1HG GLU 29 1HG GLU 29 -12.073 12.055 -6.794 237 2HG GLU 29 2HG GLU 29 -13.587 12.349 -5.932 238 H LEU 30 H LEU 30 -9.690 10.383 -3.182 239 HA LEU 30 HA LEU 30 -9.026 9.024 -5.668 240 1HB LEU 30 1HB LEU 30 -7.435 10.066 -3.978 241 2HB LEU 30 2HB LEU 30 -7.864 8.758 -2.870 242 HG LEU 30 HG LEU 30 -6.897 7.130 -4.528 243 1HD1 LEU 30 1HD1 LEU 30 -5.413 8.009 -6.294 244 2HD1 LEU 30 2HD1 LEU 30 -7.078 8.533 -6.556 245 3HD1 LEU 30 3HD1 LEU 30 -5.896 9.673 -5.893 246 1HD2 LEU 30 1HD2 LEU 30 -5.657 8.016 -2.568 247 2HD2 LEU 30 2HD2 LEU 30 -4.566 7.700 -3.929 248 3HD2 LEU 30 3HD2 LEU 30 -5.058 9.363 -3.542 249 H LYS 31 H LYS 31 -8.926 6.720 -5.930 250 HA LYS 31 HA LYS 31 -10.412 5.114 -3.879 251 1HB LYS 31 1HB LYS 31 -11.628 4.956 -5.937 252 2HB LYS 31 2HB LYS 31 -10.148 4.730 -6.885 253 1HG LYS 31 1HG LYS 31 -9.745 2.555 -5.957 254 2HG LYS 31 2HG LYS 31 -10.982 2.751 -4.720 255 1HD LYS 31 1HD LYS 31 -11.630 2.749 -7.695 256 2HD LYS 31 2HD LYS 31 -11.458 1.254 -6.788 257 1HE LYS 31 1HE LYS 31 -13.484 3.450 -6.171 258 2HE LYS 31 2HE LYS 31 -13.808 1.948 -7.038 259 1HZ LYS 31 1HZ LYS 31 -13.079 2.205 -4.194 260 2HZ LYS 31 2HZ LYS 31 -14.446 1.585 -4.825 261 3HZ LYS 31 3HZ LYS 31 -13.029 0.764 -4.970 262 H VAL 32 H VAL 32 -9.037 4.025 -2.671 263 HA VAL 32 HA VAL 32 -6.780 2.671 -3.984 264 HB VAL 32 HB VAL 32 -6.554 3.833 -1.180 265 1HG1 VAL 32 1HG1 VAL 32 -5.176 1.837 -1.598 266 2HG1 VAL 32 2HG1 VAL 32 -4.552 2.548 -3.101 267 3HG1 VAL 32 3HG1 VAL 32 -4.139 3.264 -1.534 268 1HG2 VAL 32 1HG2 VAL 32 -6.549 5.738 -2.686 269 2HG2 VAL 32 2HG2 VAL 32 -4.901 5.425 -2.164 270 3HG2 VAL 32 3HG2 VAL 32 -5.415 4.941 -3.785 271 H GLU 33 H GLU 33 -6.713 0.527 -3.401 272 HA GLU 33 HA GLU 33 -8.260 -0.360 -1.031 273 1HB GLU 33 1HB GLU 33 -8.536 -1.592 -3.801 274 2HB GLU 33 2HB GLU 33 -9.169 -2.247 -2.281 275 1HG GLU 33 1HG GLU 33 -10.562 -0.226 -1.973 276 2HG GLU 33 2HG GLU 33 -10.019 0.374 -3.547 277 H SER 34 H SER 34 -7.713 -2.926 -0.894 278 HA SER 34 HA SER 34 -4.731 -3.080 -1.018 279 1HB SER 34 1HB SER 34 -6.706 -3.846 1.165 280 2HB SER 34 2HB SER 34 -4.976 -4.205 1.197 281 HG SER 34 HG SER 34 -6.291 -1.697 1.302 282 H ALA 35 H ALA 35 -3.777 -5.108 -1.198 283 HA ALA 35 HA ALA 35 -5.322 -7.578 -1.076 284 1HB ALA 35 1HB ALA 35 -3.899 -6.770 -3.665 285 2HB ALA 35 2HB ALA 35 -4.619 -8.361 -3.327 286 3HB ALA 35 3HB ALA 35 -5.658 -6.943 -3.453 287 H GLY 36 H GLY 36 -3.488 -9.437 -1.685 288 1HA GLY 36 1HA GLY 36 -0.773 -8.447 -1.188 289 2HA GLY 36 2HA GLY 36 -1.428 -9.540 0.026 290 H LEU 37 H LEU 37 0.929 -9.927 -1.487 291 HA LEU 37 HA LEU 37 0.508 -11.830 -3.657 292 1HB LEU 37 1HB LEU 37 2.839 -10.954 -1.925 293 2HB LEU 37 2HB LEU 37 3.003 -12.357 -2.971 294 HG LEU 37 HG LEU 37 2.009 -9.728 -4.113 295 1HD1 LEU 37 1HD1 LEU 37 4.918 -10.570 -3.782 296 2HD1 LEU 37 2HD1 LEU 37 4.325 -9.182 -4.734 297 3HD1 LEU 37 3HD1 LEU 37 4.116 -9.205 -2.976 298 1HD2 LEU 37 1HD2 LEU 37 1.816 -11.803 -5.508 299 2HD2 LEU 37 2HD2 LEU 37 2.953 -10.637 -6.202 300 3HD2 LEU 37 3HD2 LEU 37 3.548 -12.068 -5.327 301 H GLY 38 H GLY 38 1.066 -12.006 -0.155 302 1HA GLY 38 1HA GLY 38 0.218 -14.881 -0.172 303 2HA GLY 38 2HA GLY 38 1.528 -14.270 0.862 304 H ALA 39 H ALA 39 -1.752 -13.163 -0.124 305 HA ALA 39 HA ALA 39 -2.232 -11.794 2.359 306 1HB ALA 39 1HB ALA 39 -4.194 -12.685 0.206 307 2HB ALA 39 2HB ALA 39 -4.464 -11.405 1.402 308 3HB ALA 39 3HB ALA 39 -3.251 -11.175 0.139 309 H LEU 40 H LEU 40 -4.198 -12.185 3.652 310 HA LEU 40 HA LEU 40 -4.647 -15.089 4.248 311 1HB LEU 40 1HB LEU 40 -4.638 -12.628 6.052 312 2HB LEU 40 2HB LEU 40 -5.035 -14.265 6.576 313 HG LEU 40 HG LEU 40 -2.326 -13.428 5.433 314 1HD1 LEU 40 1HD1 LEU 40 -1.494 -13.494 7.711 315 2HD1 LEU 40 2HD1 LEU 40 -2.785 -12.298 7.563 316 3HD1 LEU 40 3HD1 LEU 40 -3.117 -13.871 8.334 317 1HD2 LEU 40 1HD2 LEU 40 -1.530 -15.571 6.400 318 2HD2 LEU 40 2HD2 LEU 40 -3.201 -15.989 6.839 319 3HD2 LEU 40 3HD2 LEU 40 -2.728 -15.829 5.132 320 H VAL 41 H VAL 41 -6.223 -14.875 2.458 321 HA VAL 41 HA VAL 41 -8.047 -12.911 2.133 322 HB VAL 41 HB VAL 41 -7.616 -14.587 0.514 323 1HG1 VAL 41 1HG1 VAL 41 -8.552 -16.838 0.535 324 2HG1 VAL 41 2HG1 VAL 41 -7.462 -16.623 1.908 325 3HG1 VAL 41 3HG1 VAL 41 -9.220 -16.583 2.157 326 1HG2 VAL 41 1HG2 VAL 41 -10.583 -14.642 1.173 327 2HG2 VAL 41 2HG2 VAL 41 -9.741 -13.310 0.356 328 3HG2 VAL 41 3HG2 VAL 41 -9.828 -14.905 -0.410 329 H GLY 42 H GLY 42 -9.790 -12.080 3.031 330 1HA GLY 42 1HA GLY 42 -11.847 -12.060 4.101 331 2HA GLY 42 2HA GLY 42 -11.582 -13.697 4.708 332 H LYS 43 H LYS 43 -8.742 -12.594 5.699 333 HA LYS 43 HA LYS 43 -9.681 -12.151 8.381 334 1HB LYS 43 1HB LYS 43 -7.542 -13.294 7.650 335 2HB LYS 43 2HB LYS 43 -6.877 -11.698 7.272 336 1HG LYS 43 1HG LYS 43 -7.055 -11.031 9.621 337 2HG LYS 43 2HG LYS 43 -7.944 -12.517 10.014 338 1HD LYS 43 1HD LYS 43 -5.958 -13.880 9.441 339 2HD LYS 43 2HD LYS 43 -5.096 -12.426 8.944 340 1HE LYS 43 1HE LYS 43 -4.304 -12.998 11.127 341 2HE LYS 43 2HE LYS 43 -5.279 -11.535 11.281 342 1HZ LYS 43 1HZ LYS 43 -6.199 -14.281 11.936 343 2HZ LYS 43 2HZ LYS 43 -5.766 -13.149 13.019 344 3HZ LYS 43 3HZ LYS 43 -7.098 -12.925 12.114 345 H GLY 44 H GLY 44 -9.541 -10.264 9.673 346 1HA GLY 44 1HA GLY 44 -10.040 -7.762 8.273 347 2HA GLY 44 2HA GLY 44 -10.061 -8.037 10.017 348 H ALA 45 H ALA 45 -8.939 -5.767 9.593 349 HA ALA 45 HA ALA 45 -6.137 -5.776 8.835 350 1HB ALA 45 1HB ALA 45 -6.155 -3.516 9.953 351 2HB ALA 45 2HB ALA 45 -7.361 -3.696 8.670 352 3HB ALA 45 3HB ALA 45 -7.864 -3.782 10.364 353 H ASP 46 H ASP 46 -4.328 -5.662 10.232 354 HA ASP 46 HA ASP 46 -4.439 -7.453 12.456 355 1HB ASP 46 1HB ASP 46 -2.463 -7.122 11.008 356 2HB ASP 46 2HB ASP 46 -2.260 -5.487 11.640 357 HA PRO 47 HA PRO 47 -5.831 -4.512 15.478 358 1HB PRO 47 1HB PRO 47 -5.030 -5.673 17.858 359 2HB PRO 47 2HB PRO 47 -6.432 -6.200 16.880 360 1HG PRO 47 1HG PRO 47 -3.623 -7.340 16.880 361 2HG PRO 47 2HG PRO 47 -5.181 -8.227 16.958 362 1HD PRO 47 1HD PRO 47 -3.849 -7.949 14.624 363 2HD PRO 47 2HD PRO 47 -5.630 -7.808 14.662 364 H THR 48 H THR 48 -2.387 -5.318 15.273 365 HA THR 48 HA THR 48 -1.568 -3.203 17.122 366 HB THR 48 HB THR 48 0.296 -4.269 15.035 367 HG1 THR 48 1HG THR 48 -0.714 -6.087 15.420 368 1HG2 THR 48 1HG2 THR 48 0.509 -3.910 18.058 369 2HG2 THR 48 2HG2 THR 48 1.832 -4.418 16.983 370 3HG2 THR 48 3HG2 THR 48 1.121 -2.805 16.807 371 H ALA 49 H ALA 49 -1.935 -3.725 13.581 372 HA ALA 49 HA ALA 49 -0.973 -1.152 12.777 373 1HB ALA 49 1HB ALA 49 -1.239 -3.107 11.252 374 2HB ALA 49 2HB ALA 49 -2.999 -2.985 11.411 375 3HB ALA 49 3HB ALA 49 -2.080 -1.666 10.656 376 H ILE 50 H ILE 50 -4.277 -2.391 13.569 377 HA ILE 50 HA ILE 50 -5.673 0.053 13.201 378 HB ILE 50 HB ILE 50 -6.144 -2.253 15.117 379 1HG1 ILE 50 1HG1 ILE 50 -7.640 -1.535 12.559 380 2HG1 ILE 50 2HG1 ILE 50 -6.292 -2.666 12.582 381 1HG2 ILE 50 1HG2 ILE 50 -8.470 -1.413 15.405 382 2HG2 ILE 50 2HG2 ILE 50 -7.304 -0.271 16.029 383 3HG2 ILE 50 3HG2 ILE 50 -8.062 0.028 14.450 384 1HD1 ILE 50 1HD1 ILE 50 -7.576 -4.115 14.182 385 2HD1 ILE 50 2HD1 ILE 50 -8.971 -3.027 13.985 386 3HD1 ILE 50 3HD1 ILE 50 -8.346 -3.921 12.602 387 H SER 51 H SER 51 -4.005 -1.219 16.172 388 HA SER 51 HA SER 51 -4.740 0.985 17.789 389 1HB SER 51 1HB SER 51 -2.319 -0.850 18.036 390 2HB SER 51 2HB SER 51 -2.996 0.176 19.316 391 HG SER 51 HG SER 51 -4.175 -2.068 18.034 392 H VAL 52 H VAL 52 -1.830 0.544 15.690 393 HA VAL 52 HA VAL 52 -0.686 3.076 16.516 394 HB VAL 52 HB VAL 52 -0.153 1.202 14.186 395 1HG1 VAL 52 1HG1 VAL 52 1.913 2.445 13.787 396 2HG1 VAL 52 2HG1 VAL 52 0.527 3.496 13.513 397 3HG1 VAL 52 3HG1 VAL 52 1.463 3.658 15.013 398 1HG2 VAL 52 1HG2 VAL 52 1.327 1.847 16.789 399 2HG2 VAL 52 2HG2 VAL 52 0.477 0.334 16.417 400 3HG2 VAL 52 3HG2 VAL 52 1.940 0.778 15.531 401 H ALA 53 H ALA 53 -2.947 2.117 13.842 402 HA ALA 53 HA ALA 53 -2.926 4.715 12.631 403 1HB ALA 53 1HB ALA 53 -5.000 3.980 11.550 404 2HB ALA 53 2HB ALA 53 -3.802 2.673 11.519 405 3HB ALA 53 3HB ALA 53 -5.147 2.625 12.685 406 H ALA 54 H ALA 54 -4.841 3.302 15.318 407 HA ALA 54 HA ALA 54 -6.576 5.515 15.651 408 1HB ALA 54 1HB ALA 54 -7.010 4.540 17.879 409 2HB ALA 54 2HB ALA 54 -6.985 3.275 16.635 410 3HB ALA 54 3HB ALA 54 -5.588 3.491 17.718 411 H GLU 55 H GLU 55 -3.218 4.957 16.851 412 HA GLU 55 HA GLU 55 -3.102 7.135 18.620 413 1HB GLU 55 1HB GLU 55 -1.379 5.285 18.082 414 2HB GLU 55 2HB GLU 55 -0.809 6.353 16.790 415 1HG GLU 55 1HG GLU 55 -0.365 8.133 18.463 416 2HG GLU 55 2HG GLU 55 -0.970 7.079 19.745 417 H HIS 56 H HIS 56 -3.448 7.173 15.166 418 HA HIS 56 HA HIS 56 -3.008 10.120 15.026 419 1HB HIS 56 1HB HIS 56 -2.848 7.949 12.913 420 2HB HIS 56 2HB HIS 56 -2.673 9.676 12.595 421 HD1 HIS 56 HD1 HIS 56 -0.436 10.869 13.834 422 HD2 HIS 56 HD2 HIS 56 -0.648 6.668 13.663 423 HE1 HIS 56 HE1 HIS 56 1.904 10.012 14.346 424 H GLN 57 H GLN 57 -5.443 8.243 15.759 425 HA GLN 57 HA GLN 57 -7.645 7.971 15.256 426 1HB GLN 57 1HB GLN 57 -7.378 10.970 14.700 427 2HB GLN 57 2HB GLN 57 -8.886 10.138 15.064 428 1HG GLN 57 1HG GLN 57 -6.536 10.308 17.006 429 2HG GLN 57 2HG GLN 57 -7.896 11.418 16.974 430 1HE2 GLN 57 2HE2 GLN 57 -6.934 8.053 17.697 431 2HE2 GLN 57 1HE2 GLN 57 -8.396 7.653 18.569 432 H LEU 58 H LEU 58 -6.223 6.993 13.242 433 HA LEU 58 HA LEU 58 -8.084 7.554 10.975 434 1HB LEU 58 1HB LEU 58 -5.255 7.566 10.812 435 2HB LEU 58 2HB LEU 58 -5.718 5.951 10.273 436 HG LEU 58 HG LEU 58 -6.697 8.590 9.126 437 1HD1 LEU 58 1HD1 LEU 58 -4.929 6.426 7.922 438 2HD1 LEU 58 2HD1 LEU 58 -5.446 7.940 7.142 439 3HD1 LEU 58 3HD1 LEU 58 -4.372 7.998 8.543 440 1HD2 LEU 58 1HD2 LEU 58 -7.698 7.128 7.314 441 2HD2 LEU 58 2HD2 LEU 58 -7.489 5.753 8.429 442 3HD2 LEU 58 3HD2 LEU 58 -8.551 7.121 8.849 443 H SER 59 H SER 59 -8.865 5.487 10.009 444 HA SER 59 HA SER 59 -8.924 3.384 12.112 445 1HB SER 59 1HB SER 59 -11.192 4.338 10.321 446 2HB SER 59 2HB SER 59 -11.293 3.133 11.617 447 HG SER 59 HG SER 59 -11.985 5.219 12.292 448 H LEU 60 H LEU 60 -8.558 1.306 11.373 449 HA LEU 60 HA LEU 60 -8.329 0.887 8.400 450 1HB LEU 60 1HB LEU 60 -7.089 -0.869 10.520 451 2HB LEU 60 2HB LEU 60 -6.812 -0.886 8.791 452 HG LEU 60 HG LEU 60 -5.862 1.183 10.794 453 1HD1 LEU 60 1HD1 LEU 60 -4.338 -0.694 8.936 454 2HD1 LEU 60 2HD1 LEU 60 -3.641 0.398 10.148 455 3HD1 LEU 60 3HD1 LEU 60 -4.635 -0.976 10.663 456 1HD2 LEU 60 1HD2 LEU 60 -5.570 1.243 7.763 457 2HD2 LEU 60 2HD2 LEU 60 -6.401 2.442 8.779 458 3HD2 LEU 60 3HD2 LEU 60 -4.652 2.264 8.895 459 H GLU 61 H GLU 61 -10.738 0.762 10.359 460 HA GLU 61 HA GLU 61 -11.402 -2.024 10.685 461 1HB GLU 61 1HB GLU 61 -13.113 0.505 10.778 462 2HB GLU 61 2HB GLU 61 -13.671 -1.115 11.223 463 1HG GLU 61 1HG GLU 61 -11.880 -1.225 12.972 464 2HG GLU 61 2HG GLU 61 -11.427 0.438 12.589 465 H GLY 62 H GLY 62 -13.073 -3.184 9.556 466 1HA GLY 62 1HA GLY 62 -14.402 -3.775 7.805 467 2HA GLY 62 2HA GLY 62 -14.306 -2.116 7.186 468 H HIS 63 H HIS 63 -11.117 -2.979 7.450 469 HA HIS 63 HA HIS 63 -10.695 -3.593 4.666 470 1HB HIS 63 1HB HIS 63 -8.902 -2.605 5.971 471 2HB HIS 63 2HB HIS 63 -9.012 -3.890 7.178 472 HD1 HIS 63 HD1 HIS 63 -8.004 -3.602 3.422 473 HD2 HIS 63 HD2 HIS 63 -7.495 -5.992 6.849 474 HE1 HIS 63 HE1 HIS 63 -6.381 -5.465 2.794 475 H CYS 64 H CYS 64 -10.521 -5.583 3.671 476 HA CYS 64 HA CYS 64 -10.407 -8.023 5.341 477 1HB CYS 64 1HB CYS 64 -11.850 -9.163 3.609 478 2HB CYS 64 2HB CYS 64 -12.695 -8.046 4.691 479 HG CYS 64 HG CYS 64 -11.485 -7.303 1.710 480 H ALA 65 H ALA 65 -8.586 -9.080 4.828 481 HA ALA 65 HA ALA 65 -6.930 -8.298 2.621 482 1HB ALA 65 1HB ALA 65 -5.691 -10.446 3.325 483 2HB ALA 65 2HB ALA 65 -5.864 -9.168 4.546 484 3HB ALA 65 3HB ALA 65 -6.915 -10.597 4.602 485 H ARG 66 H ARG 66 -6.289 -9.585 0.785 486 HA ARG 66 HA ARG 66 -7.829 -11.919 -0.039 487 1HB ARG 66 1HB ARG 66 -8.829 -10.834 -2.055 488 2HB ARG 66 2HB ARG 66 -9.537 -10.278 -0.543 489 1HG ARG 66 1HG ARG 66 -8.049 -8.223 -0.667 490 2HG ARG 66 2HG ARG 66 -7.528 -8.764 -2.276 491 1HD ARG 66 1HD ARG 66 -9.846 -8.658 -3.079 492 2HD ARG 66 2HD ARG 66 -10.409 -8.237 -1.443 493 HE ARG 66 HE ARG 66 -8.404 -6.382 -2.187 494 1HH1 ARG 66 1HH2 ARG 66 -11.821 -7.130 -2.921 495 2HH1 ARG 66 2HH2 ARG 66 -12.193 -5.501 -3.363 496 1HH2 ARG 66 2HH1 ARG 66 -8.887 -4.333 -2.904 497 2HH2 ARG 66 1HH1 ARG 66 -10.525 -3.845 -3.261 498 H GLN 67 H GLN 67 -6.768 -12.937 -1.843 499 HA GLN 67 HA GLN 67 -4.015 -12.071 -2.088 500 1HB GLN 67 1HB GLN 67 -4.810 -14.509 -1.924 501 2HB GLN 67 2HB GLN 67 -5.274 -14.356 -3.632 502 1HG GLN 67 1HG GLN 67 -2.912 -13.755 -4.192 503 2HG GLN 67 2HG GLN 67 -2.499 -13.787 -2.481 504 1HE2 GLN 67 2HE2 GLN 67 -0.800 -15.283 -3.057 505 2HE2 GLN 67 1HE2 GLN 67 -1.176 -16.978 -3.311 506 H ILE 68 H ILE 68 -2.950 -11.314 -3.802 507 HA ILE 68 HA ILE 68 -4.333 -9.767 -5.753 508 HB ILE 68 HB ILE 68 -2.000 -9.397 -4.902 509 1HG1 ILE 68 1HG1 ILE 68 -0.936 -8.772 -7.046 510 2HG1 ILE 68 2HG1 ILE 68 -2.170 -9.664 -7.933 511 1HG2 ILE 68 1HG2 ILE 68 -0.117 -10.611 -5.704 512 2HG2 ILE 68 2HG2 ILE 68 -1.236 -11.791 -4.992 513 3HG2 ILE 68 3HG2 ILE 68 -1.112 -11.635 -6.751 514 1HD1 ILE 68 1HD1 ILE 68 -3.901 -8.105 -7.149 515 2HD1 ILE 68 2HD1 ILE 68 -2.729 -7.320 -6.061 516 3HD1 ILE 68 3HD1 ILE 68 -2.550 -7.179 -7.819 517 H SER 69 H SER 69 -4.808 -10.262 -7.900 518 HA SER 69 HA SER 69 -4.141 -12.839 -9.082 519 1HB SER 69 1HB SER 69 -6.965 -12.134 -8.159 520 2HB SER 69 2HB SER 69 -6.668 -13.297 -9.476 521 HG SER 69 HG SER 69 -5.203 -13.580 -7.122 522 H ARG 70 H ARG 70 -4.934 -12.842 -11.408 523 HA ARG 70 HA ARG 70 -3.990 -10.503 -12.594 524 1HB ARG 70 1HB ARG 70 -4.102 -12.871 -13.542 525 2HB ARG 70 2HB ARG 70 -5.796 -12.585 -13.915 526 1HG ARG 70 1HG ARG 70 -4.435 -12.311 -15.885 527 2HG ARG 70 2HG ARG 70 -5.128 -10.742 -15.468 528 1HD ARG 70 1HD ARG 70 -3.051 -9.903 -14.683 529 2HD ARG 70 2HD ARG 70 -2.367 -11.520 -14.492 530 HE ARG 70 HE ARG 70 -2.872 -10.131 -17.103 531 1HH1 ARG 70 1HH1 ARG 70 -0.881 -12.492 -15.287 532 2HH1 ARG 70 2HH1 ARG 70 -0.159 -13.125 -16.727 533 1HH2 ARG 70 1HH2 ARG 70 -1.805 -10.765 -18.839 534 2HH2 ARG 70 2HH2 ARG 70 -0.609 -12.043 -18.828 535 H ARG 71 H ARG 71 -7.405 -11.456 -12.061 536 HA ARG 71 HA ARG 71 -8.606 -9.312 -13.463 537 1HB ARG 71 1HB ARG 71 -9.816 -11.302 -12.657 538 2HB ARG 71 2HB ARG 71 -9.504 -10.852 -10.985 539 1HG ARG 71 1HG ARG 71 -11.786 -10.398 -11.581 540 2HG ARG 71 2HG ARG 71 -10.980 -8.887 -11.198 541 1HD ARG 71 1HD ARG 71 -11.318 -9.871 -14.064 542 2HD ARG 71 2HD ARG 71 -12.592 -8.981 -13.214 543 HE ARG 71 HE ARG 71 -10.213 -7.487 -12.949 544 1HH1 ARG 71 1HH2 ARG 71 -12.454 -8.447 -15.537 545 2HH1 ARG 71 2HH2 ARG 71 -12.212 -7.018 -16.469 546 1HH2 ARG 71 1HH1 ARG 71 -9.937 -5.576 -14.150 547 2HH2 ARG 71 2HH1 ARG 71 -10.735 -5.346 -15.665 548 H LEU 72 H LEU 72 -7.381 -9.478 -10.078 549 HA LEU 72 HA LEU 72 -8.260 -6.802 -9.425 550 1HB LEU 72 1HB LEU 72 -6.348 -8.783 -8.155 551 2HB LEU 72 2HB LEU 72 -6.200 -7.070 -7.764 552 HG LEU 72 HG LEU 72 -8.600 -6.984 -7.190 553 1HD1 LEU 72 1HD1 LEU 72 -8.450 -10.030 -7.373 554 2HD1 LEU 72 2HD1 LEU 72 -9.776 -9.115 -6.626 555 3HD1 LEU 72 3HD1 LEU 72 -9.477 -8.960 -8.357 556 1HD2 LEU 72 1HD2 LEU 72 -6.852 -7.174 -5.474 557 2HD2 LEU 72 2HD2 LEU 72 -8.309 -8.038 -4.971 558 3HD2 LEU 72 3HD2 LEU 72 -6.910 -8.951 -5.579 559 H CYS 73 H CYS 73 -5.167 -8.189 -10.671 560 HA CYS 73 HA CYS 73 -3.734 -5.793 -10.555 561 1HB CYS 73 1HB CYS 73 -3.515 -7.979 -12.691 562 2HB CYS 73 2HB CYS 73 -2.292 -6.753 -12.338 563 HG CYS 73 HG CYS 73 -3.497 -9.077 -10.291 564 H ARG 74 H ARG 74 -5.913 -6.973 -13.175 565 HA ARG 74 HA ARG 74 -5.498 -4.668 -14.867 566 1HB ARG 74 1HB ARG 74 -7.687 -6.788 -14.710 567 2HB ARG 74 2HB ARG 74 -7.632 -5.534 -15.957 568 1HG ARG 74 1HG ARG 74 -5.485 -6.346 -16.782 569 2HG ARG 74 2HG ARG 74 -5.402 -7.566 -15.496 570 1HD ARG 74 1HD ARG 74 -7.446 -8.634 -16.332 571 2HD ARG 74 2HD ARG 74 -7.592 -7.411 -17.612 572 HE ARG 74 HE ARG 74 -5.145 -8.321 -18.167 573 1HH1 ARG 74 1HH2 ARG 74 -8.210 -10.070 -17.647 574 2HH1 ARG 74 2HH2 ARG 74 -7.730 -11.451 -18.559 575 1HH2 ARG 74 1HH1 ARG 74 -4.466 -10.176 -19.210 576 2HH2 ARG 74 2HH1 ARG 74 -5.558 -11.497 -19.547 577 H ASN 75 H ASN 75 -7.569 -5.195 -12.045 578 HA ASN 75 HA ASN 75 -9.659 -3.424 -12.813 579 1HB ASN 75 1HB ASN 75 -9.905 -5.258 -11.156 580 2HB ASN 75 2HB ASN 75 -8.867 -4.378 -10.036 581 1HD2 ASN 75 2HD2 ASN 75 -9.827 -2.743 -8.736 582 2HD2 ASN 75 1HD2 ASN 75 -11.511 -2.304 -8.871 583 H TYR 76 H TYR 76 -6.505 -2.655 -11.516 584 HA TYR 76 HA TYR 76 -7.443 0.102 -10.854 585 1HB TYR 76 1HB TYR 76 -5.222 -1.386 -9.444 586 2HB TYR 76 2HB TYR 76 -5.838 0.211 -9.066 587 HD1 TYR 76 HD1 TYR 76 -7.778 0.459 -7.582 588 HD2 TYR 76 HD2 TYR 76 -6.560 -3.400 -8.986 589 HE1 TYR 76 HE1 TYR 76 -9.356 -0.598 -6.005 590 HE2 TYR 76 HE2 TYR 76 -8.118 -4.499 -7.410 591 HH TYR 76 HH TYR 76 -9.750 -4.172 -5.790 592 H ASP 77 H ASP 77 -5.807 1.788 -11.334 593 HA ASP 77 HA ASP 77 -4.652 1.093 -13.939 594 1HB ASP 77 1HB ASP 77 -5.908 3.215 -13.576 595 2HB ASP 77 2HB ASP 77 -4.639 3.759 -12.472 596 H LEU 78 H LEU 78 -3.508 1.860 -10.683 597 HA LEU 78 HA LEU 78 -0.672 1.560 -11.532 598 1HB LEU 78 1HB LEU 78 -1.664 3.978 -11.367 599 2HB LEU 78 2HB LEU 78 -1.732 3.700 -9.642 600 HG LEU 78 HG LEU 78 0.170 5.021 -10.234 601 1HD1 LEU 78 1HD1 LEU 78 1.887 3.969 -9.058 602 2HD1 LEU 78 2HD1 LEU 78 0.395 3.273 -8.418 603 3HD1 LEU 78 3HD1 LEU 78 1.398 2.344 -9.561 604 1HD2 LEU 78 1HD2 LEU 78 0.433 4.293 -12.567 605 2HD2 LEU 78 2HD2 LEU 78 1.966 4.320 -11.694 606 3HD2 LEU 78 3HD2 LEU 78 1.166 2.769 -12.015 607 H ILE 79 H ILE 79 0.515 0.386 -9.995 608 HA ILE 79 HA ILE 79 -1.100 -0.700 -7.724 609 HB ILE 79 HB ILE 79 0.932 -2.208 -9.394 610 1HG1 ILE 79 1HG1 ILE 79 -0.910 -1.703 -10.917 611 2HG1 ILE 79 2HG1 ILE 79 -0.812 -3.407 -10.540 612 1HG2 ILE 79 1HG2 ILE 79 0.657 -3.157 -7.189 613 2HG2 ILE 79 2HG2 ILE 79 -1.111 -3.095 -7.316 614 3HG2 ILE 79 3HG2 ILE 79 -0.181 -4.198 -8.348 615 1HD1 ILE 79 1HD1 ILE 79 -2.747 -3.267 -9.054 616 2HD1 ILE 79 2HD1 ILE 79 -2.810 -1.498 -9.252 617 3HD1 ILE 79 3HD1 ILE 79 -3.144 -2.564 -10.625 618 H LEU 80 H LEU 80 -0.048 -0.822 -5.786 619 HA LEU 80 HA LEU 80 2.732 0.226 -5.680 620 1HB LEU 80 1HB LEU 80 0.225 1.017 -4.256 621 2HB LEU 80 2HB LEU 80 1.601 0.773 -3.206 622 HG LEU 80 HG LEU 80 1.454 3.079 -3.774 623 1HD1 LEU 80 1HD1 LEU 80 3.698 3.512 -4.485 624 2HD1 LEU 80 2HD1 LEU 80 3.711 1.989 -3.567 625 3HD1 LEU 80 3HD1 LEU 80 3.832 1.982 -5.342 626 1HD2 LEU 80 1HD2 LEU 80 0.289 2.892 -5.949 627 2HD2 LEU 80 2HD2 LEU 80 1.686 3.983 -6.011 628 3HD2 LEU 80 3HD2 LEU 80 1.808 2.353 -6.700 629 H THR 81 H THR 81 4.074 -0.538 -4.111 630 HA THR 81 HA THR 81 3.339 -3.015 -2.659 631 HB THR 81 HB THR 81 5.265 -4.140 -3.545 632 HG1 THR 81 1HG THR 81 5.685 -1.871 -5.183 633 1HG2 THR 81 1HG2 THR 81 4.756 -4.511 -5.882 634 2HG2 THR 81 2HG2 THR 81 3.225 -4.318 -5.001 635 3HG2 THR 81 3HG2 THR 81 3.873 -2.981 -5.987 636 H MET 82 H MET 82 5.734 -3.500 -1.344 637 HA MET 82 HA MET 82 6.525 -0.839 -0.217 638 1HB MET 82 1HB MET 82 6.104 -3.542 1.099 639 2HB MET 82 2HB MET 82 6.717 -2.107 1.923 640 1HG MET 82 1HG MET 82 3.996 -2.288 0.567 641 2HG MET 82 2HG MET 82 4.269 -2.520 2.282 642 1HE MET 82 1HE MET 82 2.551 -0.302 0.228 643 2HE MET 82 2HE MET 82 2.088 -0.591 1.924 644 3HE MET 82 3HE MET 82 2.449 1.058 1.362 645 H GLU 83 H GLU 83 7.747 -3.637 -1.841 646 HA GLU 83 HA GLU 83 10.503 -2.829 -1.316 647 1HB GLU 83 1HB GLU 83 11.136 -5.065 -0.394 648 2HB GLU 83 2HB GLU 83 10.113 -4.106 0.661 649 1HG GLU 83 1HG GLU 83 8.121 -5.511 -0.343 650 2HG GLU 83 2HG GLU 83 9.390 -6.601 -0.891 651 H LYS 84 H LYS 84 12.042 -4.085 -2.685 652 HA LYS 84 HA LYS 84 11.036 -3.941 -5.327 653 1HB LYS 84 1HB LYS 84 13.597 -5.338 -4.443 654 2HB LYS 84 2HB LYS 84 13.249 -4.707 -6.050 655 1HG LYS 84 1HG LYS 84 13.534 -3.037 -3.525 656 2HG LYS 84 2HG LYS 84 14.805 -3.289 -4.709 657 1HD LYS 84 1HD LYS 84 13.752 -1.953 -6.348 658 2HD LYS 84 2HD LYS 84 12.167 -2.086 -5.587 659 1HE LYS 84 1HE LYS 84 13.017 0.141 -5.219 660 2HE LYS 84 2HE LYS 84 12.879 -0.730 -3.688 661 1HZ LYS 84 1HZ LYS 84 15.272 -1.103 -3.742 662 2HZ LYS 84 2HZ LYS 84 15.379 -0.155 -5.144 663 3HZ LYS 84 3HZ LYS 84 14.864 0.462 -3.713 664 H ARG 85 H ARG 85 11.689 -6.877 -3.341 665 HA ARG 85 HA ARG 85 11.189 -8.674 -5.456 666 1HB ARG 85 1HB ARG 85 10.799 -10.393 -3.758 667 2HB ARG 85 2HB ARG 85 12.261 -9.456 -3.460 668 1HG ARG 85 1HG ARG 85 11.125 -8.169 -1.697 669 2HG ARG 85 2HG ARG 85 9.605 -9.025 -2.021 670 1HD ARG 85 1HD ARG 85 10.621 -11.154 -1.353 671 2HD ARG 85 2HD ARG 85 12.185 -10.345 -1.084 672 HE ARG 85 HE ARG 85 10.411 -8.884 0.447 673 1HH1 ARG 85 1HH2 ARG 85 11.339 -12.326 0.484 674 2HH1 ARG 85 2HH2 ARG 85 10.980 -12.507 2.163 675 1HH2 ARG 85 1HH1 ARG 85 9.968 -9.078 2.473 676 2HH2 ARG 85 2HH1 ARG 85 10.161 -10.565 3.389 677 H HIS 86 H HIS 86 8.807 -6.814 -3.548 678 HA HIS 86 HA HIS 86 6.582 -8.538 -4.307 679 1HB HIS 86 1HB HIS 86 6.713 -5.656 -3.366 680 2HB HIS 86 2HB HIS 86 5.214 -6.501 -3.735 681 HD1 HIS 86 HD1 HIS 86 7.461 -8.811 -1.829 682 HD2 HIS 86 HD2 HIS 86 4.690 -5.734 -1.101 683 HE1 HIS 86 HE1 HIS 86 6.844 -8.966 0.631 684 H ILE 87 H ILE 87 8.194 -5.628 -5.682 685 HA ILE 87 HA ILE 87 6.375 -5.202 -7.835 686 HB ILE 87 HB ILE 87 9.392 -4.751 -7.880 687 1HG1 ILE 87 1HG1 ILE 87 7.242 -2.829 -6.896 688 2HG1 ILE 87 2HG1 ILE 87 8.415 -3.654 -5.863 689 1HG2 ILE 87 1HG2 ILE 87 7.269 -3.148 -9.318 690 2HG2 ILE 87 2HG2 ILE 87 9.019 -3.139 -9.586 691 3HG2 ILE 87 3HG2 ILE 87 8.080 -4.542 -10.071 692 1HD1 ILE 87 1HD1 ILE 87 10.266 -2.510 -7.147 693 2HD1 ILE 87 2HD1 ILE 87 9.014 -1.521 -7.939 694 3HD1 ILE 87 3HD1 ILE 87 9.220 -1.447 -6.189 695 H GLU 88 H GLU 88 9.361 -7.227 -7.538 696 HA GLU 88 HA GLU 88 9.308 -8.154 -10.221 697 1HB GLU 88 1HB GLU 88 10.514 -9.375 -7.702 698 2HB GLU 88 2HB GLU 88 10.779 -10.003 -9.332 699 1HG GLU 88 1HG GLU 88 11.722 -7.819 -10.035 700 2HG GLU 88 2HG GLU 88 11.512 -7.193 -8.402 701 H ARG 89 H ARG 89 7.913 -9.659 -7.224 702 HA ARG 89 HA ARG 89 6.988 -11.986 -8.590 703 1HB ARG 89 1HB ARG 89 5.998 -10.690 -6.038 704 2HB ARG 89 2HB ARG 89 5.427 -12.239 -6.659 705 1HG ARG 89 1HG ARG 89 8.246 -11.576 -5.796 706 2HG ARG 89 2HG ARG 89 7.102 -12.617 -4.951 707 1HD ARG 89 1HD ARG 89 8.641 -13.096 -7.502 708 2HD ARG 89 2HD ARG 89 8.726 -14.012 -6.000 709 HE ARG 89 HE ARG 89 6.264 -14.619 -6.532 710 1HH1 ARG 89 1HH2 ARG 89 8.878 -14.360 -8.920 711 2HH1 ARG 89 2HH2 ARG 89 8.065 -15.293 -10.136 712 1HH2 ARG 89 1HH1 ARG 89 5.198 -15.910 -8.134 713 2HH2 ARG 89 2HH1 ARG 89 5.952 -16.179 -9.679 714 H LEU 90 H LEU 90 5.367 -8.820 -7.917 715 HA LEU 90 HA LEU 90 2.885 -9.700 -9.034 716 1HB LEU 90 1HB LEU 90 3.312 -7.772 -7.450 717 2HB LEU 90 2HB LEU 90 3.827 -6.819 -8.839 718 HG LEU 90 HG LEU 90 1.158 -8.261 -8.959 719 1HD1 LEU 90 1HD1 LEU 90 0.035 -6.447 -7.768 720 2HD1 LEU 90 2HD1 LEU 90 1.192 -7.276 -6.722 721 3HD1 LEU 90 3HD1 LEU 90 1.608 -5.689 -7.392 722 1HD2 LEU 90 1HD2 LEU 90 1.906 -5.451 -9.882 723 2HD2 LEU 90 2HD2 LEU 90 1.890 -6.870 -10.936 724 3HD2 LEU 90 3HD2 LEU 90 0.391 -6.312 -10.200 725 H CYS 91 H CYS 91 5.782 -8.158 -10.483 726 HA CYS 91 HA CYS 91 4.732 -7.634 -13.044 727 1HB CYS 91 1HB CYS 91 6.989 -6.954 -12.186 728 2HB CYS 91 2HB CYS 91 7.519 -8.645 -12.310 729 HG CYS 91 HG CYS 91 6.958 -8.880 -14.887 730 H GLU 92 H GLU 92 5.957 -10.742 -11.599 731 HA GLU 92 HA GLU 92 5.633 -12.216 -14.033 732 1HB GLU 92 1HB GLU 92 7.051 -12.892 -12.045 733 2HB GLU 92 2HB GLU 92 5.557 -13.336 -11.206 734 1HG GLU 92 1HG GLU 92 5.023 -14.899 -13.128 735 2HG GLU 92 2HG GLU 92 6.594 -14.504 -13.829 736 H MET 93 H MET 93 3.469 -11.600 -11.210 737 HA MET 93 HA MET 93 1.362 -13.340 -12.016 738 1HB MET 93 1HB MET 93 1.297 -10.767 -10.381 739 2HB MET 93 2HB MET 93 -0.083 -11.825 -10.594 740 1HG MET 93 1HG MET 93 2.557 -12.660 -9.341 741 2HG MET 93 2HG MET 93 1.125 -12.178 -8.446 742 1HE MET 93 1HE MET 93 -1.354 -15.136 -8.958 743 2HE MET 93 2HE MET 93 -1.013 -13.624 -8.093 744 3HE MET 93 3HE MET 93 -1.338 -13.600 -9.843 745 H ALA 94 H ALA 94 2.061 -9.929 -12.893 746 HA ALA 94 HA ALA 94 0.163 -10.163 -15.157 747 1HB ALA 94 1HB ALA 94 -0.947 -8.058 -14.529 748 2HB ALA 94 2HB ALA 94 -1.184 -9.305 -13.286 749 3HB ALA 94 3HB ALA 94 -0.011 -8.000 -13.015 750 HA PRO 95 HA PRO 95 4.093 -8.056 -16.408 751 1HB PRO 95 1HB PRO 95 3.201 -9.267 -19.012 752 2HB PRO 95 2HB PRO 95 4.850 -9.150 -18.319 753 1HG PRO 95 1HG PRO 95 3.468 -11.501 -18.254 754 2HG PRO 95 2HG PRO 95 4.448 -10.976 -16.850 755 1HD PRO 95 1HD PRO 95 1.458 -10.746 -17.242 756 2HD PRO 95 2HD PRO 95 2.373 -11.257 -15.792 757 H GLU 96 H GLU 96 0.758 -8.068 -17.636 758 HA GLU 96 HA GLU 96 0.726 -5.819 -19.298 759 1HB GLU 96 1HB GLU 96 -1.306 -6.712 -17.198 760 2HB GLU 96 2HB GLU 96 -1.638 -5.576 -18.516 761 1HG GLU 96 1HG GLU 96 -1.218 -7.310 -20.185 762 2HG GLU 96 2HG GLU 96 -0.692 -8.433 -18.923 763 H MET 97 H MET 97 1.072 -6.019 -15.806 764 HA MET 97 HA MET 97 0.781 -3.076 -15.498 765 1HB MET 97 1HB MET 97 0.852 -5.229 -13.349 766 2HB MET 97 2HB MET 97 0.505 -3.515 -13.121 767 1HG MET 97 1HG MET 97 -1.184 -5.569 -14.574 768 2HG MET 97 2HG MET 97 -1.570 -4.724 -13.082 769 1HE MET 97 1HE MET 97 -2.525 -2.320 -12.910 770 2HE MET 97 2HE MET 97 -1.016 -1.676 -13.594 771 3HE MET 97 3HE MET 97 -2.584 -1.163 -14.254 772 H ARG 98 H ARG 98 3.286 -4.959 -16.351 773 HA ARG 98 HA ARG 98 5.358 -4.389 -14.484 774 1HB ARG 98 1HB ARG 98 5.546 -5.961 -16.351 775 2HB ARG 98 2HB ARG 98 5.400 -4.639 -17.524 776 1HG ARG 98 1HG ARG 98 7.554 -3.699 -16.759 777 2HG ARG 98 2HG ARG 98 7.675 -4.964 -15.523 778 1HD ARG 98 1HD ARG 98 7.526 -6.677 -17.404 779 2HD ARG 98 2HD ARG 98 7.657 -5.352 -18.557 780 HE ARG 98 HE ARG 98 9.720 -6.538 -16.875 781 1HH1 ARG 98 1HH2 ARG 98 8.922 -3.697 -18.856 782 2HH1 ARG 98 2HH2 ARG 98 10.562 -3.204 -19.063 783 1HH2 ARG 98 1HH1 ARG 98 11.905 -5.877 -17.150 784 2HH2 ARG 98 2HH1 ARG 98 12.293 -4.481 -18.078 785 H GLY 99 H GLY 99 6.510 -2.514 -14.072 786 1HA GLY 99 1HA GLY 99 7.201 -0.321 -14.212 787 2HA GLY 99 2HA GLY 99 6.380 -0.154 -15.770 788 H LYS 100 H LYS 100 3.717 -0.946 -14.911 789 HA LYS 100 HA LYS 100 2.793 1.428 -13.492 790 1HB LYS 100 1HB LYS 100 1.304 -1.128 -14.226 791 2HB LYS 100 2HB LYS 100 0.563 0.344 -13.645 792 1HG LYS 100 1HG LYS 100 2.121 0.095 -16.265 793 2HG LYS 100 2HG LYS 100 0.378 -0.024 -16.118 794 1HD LYS 100 1HD LYS 100 1.993 2.471 -15.413 795 2HD LYS 100 2HD LYS 100 1.130 2.184 -16.933 796 1HE LYS 100 1HE LYS 100 -0.993 1.852 -15.593 797 2HE LYS 100 2HE LYS 100 -0.119 2.356 -14.154 798 1HZ LYS 100 1HZ LYS 100 -0.591 4.026 -16.550 799 2HZ LYS 100 2HZ LYS 100 -1.366 4.143 -15.112 800 3HZ LYS 100 3HZ LYS 100 0.236 4.518 -15.223 801 H VAL 101 H VAL 101 4.052 -1.646 -12.436 802 HA VAL 101 HA VAL 101 2.944 -1.180 -9.752 803 HB VAL 101 HB VAL 101 2.735 -3.399 -10.597 804 1HG1 VAL 101 1HG1 VAL 101 5.756 -3.577 -10.829 805 2HG1 VAL 101 2HG1 VAL 101 4.630 -4.941 -10.921 806 3HG1 VAL 101 3HG1 VAL 101 4.587 -3.673 -12.143 807 1HG2 VAL 101 1HG2 VAL 101 3.711 -4.593 -8.671 808 2HG2 VAL 101 2HG2 VAL 101 4.809 -3.244 -8.367 809 3HG2 VAL 101 3HG2 VAL 101 3.053 -3.028 -8.186 810 H MET 102 H MET 102 4.172 -0.375 -8.096 811 HA MET 102 HA MET 102 7.108 -0.051 -8.397 812 1HB MET 102 1HB MET 102 5.127 2.266 -8.100 813 2HB MET 102 2HB MET 102 6.865 2.404 -7.800 814 1HG MET 102 1HG MET 102 7.335 1.672 -10.105 815 2HG MET 102 2HG MET 102 5.606 1.613 -10.442 816 1HE MET 102 1HE MET 102 4.218 3.494 -11.287 817 2HE MET 102 2HE MET 102 4.126 3.921 -9.565 818 3HE MET 102 3HE MET 102 4.434 5.185 -10.777 819 H LEU 103 H LEU 103 7.871 1.137 -6.184 820 HA LEU 103 HA LEU 103 6.249 -0.052 -3.993 821 1HB LEU 103 1HB LEU 103 8.044 -0.177 -2.601 822 2HB LEU 103 2HB LEU 103 8.556 -0.927 -4.103 823 HG LEU 103 HG LEU 103 9.361 1.806 -2.994 824 1HD1 LEU 103 1HD1 LEU 103 10.843 -0.839 -3.219 825 2HD1 LEU 103 2HD1 LEU 103 11.550 0.705 -2.649 826 3HD1 LEU 103 3HD1 LEU 103 10.254 -0.065 -1.735 827 1HD2 LEU 103 1HD2 LEU 103 9.475 1.925 -5.446 828 2HD2 LEU 103 2HD2 LEU 103 11.090 1.869 -4.752 829 3HD2 LEU 103 3HD2 LEU 103 10.407 0.409 -5.495 830 H PHE 104 H PHE 104 5.918 1.085 -2.069 831 HA PHE 104 HA PHE 104 5.081 3.711 -2.590 832 1HB PHE 104 1HB PHE 104 4.342 1.810 -0.868 833 2HB PHE 104 2HB PHE 104 5.437 2.642 0.214 834 HD1 PHE 104 HD1 PHE 104 3.874 3.406 1.829 835 HD2 PHE 104 HD2 PHE 104 3.071 4.145 -2.344 836 HE1 PHE 104 HE1 PHE 104 1.878 4.765 2.428 837 HE2 PHE 104 HE2 PHE 104 1.151 5.523 -1.750 838 HZ PHE 104 HZ PHE 104 0.481 5.778 0.624 839 H GLY 105 H GLY 105 8.014 2.494 -1.021 840 1HA GLY 105 1HA GLY 105 8.912 5.080 -0.091 841 2HA GLY 105 2HA GLY 105 9.834 3.574 -0.141 842 H HIS 106 H HIS 106 8.648 4.035 -3.262 843 HA HIS 106 HA HIS 106 10.813 4.500 -4.761 844 1HB HIS 106 1HB HIS 106 8.684 4.238 -5.758 845 2HB HIS 106 2HB HIS 106 8.055 5.708 -5.011 846 HD1 HIS 106 HD1 HIS 106 10.725 4.779 -7.709 847 HD2 HIS 106 HD2 HIS 106 8.091 7.836 -6.493 848 HE1 HIS 106 HE1 HIS 106 10.860 6.591 -9.487 849 H TRP 107 H TRP 107 9.052 7.290 -3.246 850 HA TRP 107 HA TRP 107 10.639 9.238 -4.504 851 1HB TRP 107 1HB TRP 107 9.190 9.516 -1.849 852 2HB TRP 107 2HB TRP 107 9.605 10.804 -2.971 853 HD1 TRP 107 HD1 TRP 107 6.957 8.283 -2.196 854 HE1 TRP 107 HE1 TRP 107 5.026 8.444 -3.828 855 HE3 TRP 107 HE3 TRP 107 9.096 11.379 -5.688 856 HZ2 TRP 107 HZ2 TRP 107 4.447 9.726 -6.363 857 HZ3 TRP 107 HZ3 TRP 107 7.820 12.036 -7.713 858 HH2 TRP 107 HH2 TRP 107 5.484 11.217 -8.049 859 H ASP 108 H ASP 108 11.235 7.497 -1.443 860 HA ASP 108 HA ASP 108 13.371 9.433 -0.729 861 1HB ASP 108 1HB ASP 108 11.788 8.897 1.032 862 2HB ASP 108 2HB ASP 108 12.147 7.179 0.877 863 H ASN 109 H ASN 109 14.260 8.620 -2.828 864 HA ASN 109 HA ASN 109 15.655 7.359 -4.063 865 1HB ASN 109 1HB ASN 109 17.203 8.444 -2.462 866 2HB ASN 109 2HB ASN 109 17.136 7.006 -1.435 867 1HD2 ASN 109 2HD2 ASN 109 17.659 7.747 -4.976 868 2HD2 ASN 109 1HD2 ASN 109 19.025 6.679 -5.139 869 H GLU 110 H GLU 110 13.460 5.978 -3.685 870 HA GLU 110 HA GLU 110 12.496 3.970 -3.589 871 1HB GLU 110 1HB GLU 110 13.415 2.319 -5.099 872 2HB GLU 110 2HB GLU 110 13.491 3.941 -5.758 873 1HG GLU 110 1HG GLU 110 15.884 4.069 -5.420 874 2HG GLU 110 2HG GLU 110 15.890 2.580 -4.467 875 H CYS 111 H CYS 111 13.480 4.411 -1.077 876 HA CYS 111 HA CYS 111 14.964 2.192 -0.067 877 1HB CYS 111 1HB CYS 111 14.126 2.893 2.139 878 2HB CYS 111 2HB CYS 111 14.756 4.266 1.215 879 HG CYS 111 HG CYS 111 11.607 3.330 1.128 880 H GLU 112 H GLU 112 14.355 0.136 0.518 881 HA GLU 112 HA GLU 112 11.607 -0.760 0.064 882 1HB GLU 112 1HB GLU 112 13.889 -2.231 1.473 883 2HB GLU 112 2HB GLU 112 12.379 -2.893 0.863 884 1HG GLU 112 1HG GLU 112 13.941 -3.521 -0.746 885 2HG GLU 112 2HG GLU 112 13.079 -2.163 -1.462 886 H ILE 113 H ILE 113 10.031 -0.926 1.629 887 HA ILE 113 HA ILE 113 10.579 0.461 4.158 888 HB ILE 113 HB ILE 113 8.037 -0.513 2.818 889 1HG1 ILE 113 1HG1 ILE 113 9.395 2.207 3.062 890 2HG1 ILE 113 2HG1 ILE 113 9.084 1.294 1.590 891 1HG2 ILE 113 1HG2 ILE 113 6.757 0.656 4.460 892 2HG2 ILE 113 2HG2 ILE 113 7.792 -0.450 5.323 893 3HG2 ILE 113 3HG2 ILE 113 8.205 1.277 5.274 894 1HD1 ILE 113 1HD1 ILE 113 7.546 3.105 1.663 895 2HD1 ILE 113 2HD1 ILE 113 6.627 1.616 1.963 896 3HD1 ILE 113 3HD1 ILE 113 7.033 2.718 3.303 897 HA PRO 114 HA PRO 114 11.070 -3.428 6.368 898 1HB PRO 114 1HB PRO 114 9.820 -2.060 8.723 899 2HB PRO 114 2HB PRO 114 11.384 -2.910 8.610 900 1HG PRO 114 1HG PRO 114 11.247 -0.180 8.688 901 2HG PRO 114 2HG PRO 114 12.448 -1.029 7.663 902 1HD PRO 114 1HD PRO 114 9.813 0.199 6.835 903 2HD PRO 114 2HD PRO 114 11.410 0.270 6.032 904 H ASP 115 H ASP 115 9.728 -5.040 7.652 905 HA ASP 115 HA ASP 115 6.838 -4.914 6.894 906 1HB ASP 115 1HB ASP 115 7.859 -6.572 5.557 907 2HB ASP 115 2HB ASP 115 8.778 -7.219 6.922 908 HA PRO 116 HA PRO 116 6.870 -5.159 11.419 909 1HB PRO 116 1HB PRO 116 4.508 -4.001 11.971 910 2HB PRO 116 2HB PRO 116 5.812 -3.054 11.205 911 1HG PRO 116 1HG PRO 116 3.462 -4.415 9.842 912 2HG PRO 116 2HG PRO 116 4.015 -2.720 9.653 913 1HD PRO 116 1HD PRO 116 4.771 -4.769 7.955 914 2HD PRO 116 2HD PRO 116 5.837 -3.384 8.304 915 H TYR 117 H TYR 117 4.948 -7.061 9.271 916 HA TYR 117 HA TYR 117 2.737 -7.868 10.493 917 1HB TYR 117 1HB TYR 117 3.365 -8.561 8.304 918 2HB TYR 117 2HB TYR 117 4.766 -9.447 8.904 919 HD1 TYR 117 HD1 TYR 117 4.620 -11.712 9.498 920 HD2 TYR 117 HD2 TYR 117 1.034 -9.406 8.943 921 HE1 TYR 117 HE1 TYR 117 3.270 -13.791 9.711 922 HE2 TYR 117 HE2 TYR 117 -0.344 -11.472 9.147 923 HH TYR 117 HH TYR 117 -0.318 -13.777 9.573 924 H ARG 118 H ARG 118 5.941 -9.134 11.544 925 HA ARG 118 HA ARG 118 4.510 -10.630 13.692 926 1HB ARG 118 1HB ARG 118 6.163 -12.395 13.517 927 2HB ARG 118 2HB ARG 118 5.319 -12.168 11.991 928 1HG ARG 118 1HG ARG 118 7.266 -10.930 11.070 929 2HG ARG 118 2HG ARG 118 8.117 -11.105 12.615 930 1HD ARG 118 1HD ARG 118 8.012 -13.593 12.360 931 2HD ARG 118 2HD ARG 118 7.192 -13.381 10.814 932 HE ARG 118 HE ARG 118 9.152 -12.755 9.794 933 1HH1 ARG 118 1HH2 ARG 118 9.742 -12.968 13.293 934 2HH1 ARG 118 2HH2 ARG 118 11.457 -12.868 13.152 935 1HH2 ARG 118 1HH1 ARG 118 11.434 -12.616 9.609 936 2HH2 ARG 118 2HH1 ARG 118 12.436 -12.664 11.007 937 H LYS 119 H LYS 119 5.735 -7.837 13.663 938 HA LYS 119 HA LYS 119 7.810 -8.269 15.780 939 1HB LYS 119 1HB LYS 119 7.711 -6.183 13.565 940 2HB LYS 119 2HB LYS 119 8.848 -6.177 14.920 941 1HG LYS 119 1HG LYS 119 9.700 -8.414 14.225 942 2HG LYS 119 2HG LYS 119 8.614 -8.387 12.834 943 1HD LYS 119 1HD LYS 119 10.859 -7.799 12.158 944 2HD LYS 119 2HD LYS 119 9.774 -6.428 11.913 945 1HE LYS 119 1HE LYS 119 10.614 -5.370 13.994 946 2HE LYS 119 2HE LYS 119 11.620 -6.785 14.325 947 1HZ LYS 119 1HZ LYS 119 12.893 -5.000 13.325 948 2HZ LYS 119 2HZ LYS 119 12.888 -6.283 12.326 949 3HZ LYS 119 3HZ LYS 119 11.952 -4.982 11.995 950 H SER 120 H SER 120 8.155 -6.100 17.000 951 HA SER 120 HA SER 120 5.837 -5.880 18.608 952 1HB SER 120 1HB SER 120 8.288 -4.070 18.608 953 2HB SER 120 2HB SER 120 7.225 -4.447 19.977 954 HG SER 120 HG SER 120 9.158 -5.673 20.022 955 H ARG 121 H ARG 121 4.849 -3.778 19.347 956 HA ARG 121 HA ARG 121 3.622 -2.369 17.235 957 1HB ARG 121 1HB ARG 121 2.770 -2.601 19.590 958 2HB ARG 121 2HB ARG 121 3.977 -1.414 20.110 959 1HG ARG 121 1HG ARG 121 2.928 0.278 18.589 960 2HG ARG 121 2HG ARG 121 1.748 -0.936 18.077 961 1HD ARG 121 1HD ARG 121 0.966 -1.126 20.444 962 2HD ARG 121 2HD ARG 121 2.086 0.155 20.908 963 HE ARG 121 HE ARG 121 -0.474 0.393 19.564 964 1HH1 ARG 121 1HH1 ARG 121 2.612 2.131 20.138 965 2HH1 ARG 121 2HH1 ARG 121 1.885 3.680 19.751 966 1HH2 ARG 121 1HH2 ARG 121 -1.306 2.599 19.061 967 2HH2 ARG 121 2HH2 ARG 121 -0.156 3.908 19.220 968 H GLU 122 H GLU 122 6.696 -1.682 18.904 969 HA GLU 122 HA GLU 122 7.041 0.977 18.002 970 1HB GLU 122 1HB GLU 122 8.413 -0.291 19.721 971 2HB GLU 122 2HB GLU 122 9.161 -1.180 18.399 972 1HG GLU 122 1HG GLU 122 10.666 0.555 19.038 973 2HG GLU 122 2HG GLU 122 10.012 1.012 17.474 974 H THR 123 H THR 123 7.560 -2.174 16.353 975 HA THR 123 HA THR 123 8.860 -0.987 14.043 976 HB THR 123 HB THR 123 7.441 -3.677 14.235 977 HG1 THR 123 1HG THR 123 9.125 -3.410 15.830 978 1HG2 THR 123 1HG2 THR 123 8.049 -2.913 11.928 979 2HG2 THR 123 2HG2 THR 123 9.724 -2.691 12.462 980 3HG2 THR 123 3HG2 THR 123 8.994 -4.313 12.441 981 H PHE 124 H PHE 124 5.450 -1.930 14.909 982 HA PHE 124 HA PHE 124 4.336 -1.189 12.383 983 1HB PHE 124 1HB PHE 124 3.167 -1.318 15.180 984 2HB PHE 124 2HB PHE 124 2.250 -0.708 13.816 985 HD1 PHE 124 HD1 PHE 124 3.816 -3.777 15.222 986 HD2 PHE 124 HD2 PHE 124 1.388 -2.103 12.069 987 HE1 PHE 124 HE1 PHE 124 3.096 -6.050 14.561 988 HE2 PHE 124 HE2 PHE 124 0.676 -4.389 11.422 989 HZ PHE 124 HZ PHE 124 1.523 -6.363 12.664 990 H ALA 125 H ALA 125 5.086 0.808 15.302 991 HA ALA 125 HA ALA 125 3.951 3.210 14.264 992 1HB ALA 125 1HB ALA 125 4.491 2.866 16.647 993 2HB ALA 125 2HB ALA 125 6.227 2.853 16.259 994 3HB ALA 125 3HB ALA 125 5.271 4.325 16.002 995 H ALA 126 H ALA 126 7.332 1.939 14.086 996 HA ALA 126 HA ALA 126 8.416 4.141 12.643 997 1HB ALA 126 1HB ALA 126 9.795 2.400 13.725 998 2HB ALA 126 2HB ALA 126 9.201 1.188 12.566 999 3HB ALA 126 3HB ALA 126 10.192 2.549 12.001 1000 H VAL 127 H VAL 127 7.011 1.040 11.437 1001 HA VAL 127 HA VAL 127 7.271 1.706 8.693 1002 HB VAL 127 HB VAL 127 5.474 -0.250 10.177 1003 1HG1 VAL 127 1HG1 VAL 127 5.923 -0.007 7.168 1004 2HG1 VAL 127 2HG1 VAL 127 5.124 -1.360 7.982 1005 3HG1 VAL 127 3HG1 VAL 127 4.378 0.231 8.026 1006 1HG2 VAL 127 1HG2 VAL 127 7.979 -0.642 10.216 1007 2HG2 VAL 127 2HG2 VAL 127 7.105 -1.901 9.350 1008 3HG2 VAL 127 3HG2 VAL 127 7.963 -0.641 8.445 1009 H TYR 128 H TYR 128 4.490 2.286 10.984 1010 HA TYR 128 HA TYR 128 2.767 3.398 9.050 1011 1HB TYR 128 1HB TYR 128 2.126 2.830 11.379 1012 2HB TYR 128 2HB TYR 128 3.044 4.210 11.974 1013 HD1 TYR 128 HD1 TYR 128 2.337 6.595 11.047 1014 HD2 TYR 128 HD2 TYR 128 -0.143 3.068 10.809 1015 HE1 TYR 128 HE1 TYR 128 0.399 8.009 10.529 1016 HE2 TYR 128 HE2 TYR 128 -2.116 4.488 10.369 1017 HH TYR 128 HH TYR 128 -2.913 6.650 10.086 1018 H THR 129 H THR 129 5.367 4.980 11.010 1019 HA THR 129 HA THR 129 4.854 7.609 10.064 1020 HB THR 129 HB THR 129 7.505 6.398 10.972 1021 HG1 THR 129 1HG THR 129 5.968 6.023 12.540 1022 1HG2 THR 129 1HG2 THR 129 7.978 8.698 11.781 1023 2HG2 THR 129 2HG2 THR 129 7.776 8.657 10.025 1024 3HG2 THR 129 3HG2 THR 129 6.458 9.267 11.049 1025 H LEU 130 H LEU 130 7.015 5.017 8.782 1026 HA LEU 130 HA LEU 130 8.036 6.618 6.644 1027 1HB LEU 130 1HB LEU 130 9.122 4.642 7.626 1028 2HB LEU 130 2HB LEU 130 7.856 3.596 6.988 1029 HG LEU 130 HG LEU 130 8.597 3.878 4.745 1030 1HD1 LEU 130 1HD1 LEU 130 10.524 5.356 4.115 1031 2HD1 LEU 130 2HD1 LEU 130 9.112 6.280 4.615 1032 3HD1 LEU 130 3HD1 LEU 130 10.475 6.077 5.739 1033 1HD2 LEU 130 1HD2 LEU 130 10.887 3.042 4.881 1034 2HD2 LEU 130 2HD2 LEU 130 11.081 3.733 6.507 1035 3HD2 LEU 130 3HD2 LEU 130 9.949 2.404 6.245 1036 H LEU 131 H LEU 131 5.216 4.381 6.847 1037 HA LEU 131 HA LEU 131 4.381 4.666 4.140 1038 1HB LEU 131 1HB LEU 131 3.156 3.725 6.721 1039 2HB LEU 131 2HB LEU 131 2.044 4.314 5.497 1040 HG LEU 131 HG LEU 131 2.941 2.795 3.833 1041 1HD1 LEU 131 1HD1 LEU 131 4.628 1.616 6.057 1042 2HD1 LEU 131 2HD1 LEU 131 4.407 0.922 4.438 1043 3HD1 LEU 131 3HD1 LEU 131 5.235 2.474 4.634 1044 1HD2 LEU 131 1HD2 LEU 131 1.983 0.733 4.738 1045 2HD2 LEU 131 2HD2 LEU 131 2.139 1.362 6.397 1046 3HD2 LEU 131 3HD2 LEU 131 1.031 2.134 5.241 1047 H GLU 132 H GLU 132 3.749 6.711 7.062 1048 HA GLU 132 HA GLU 132 1.850 8.368 5.758 1049 1HB GLU 132 1HB GLU 132 2.214 8.262 8.210 1050 2HB GLU 132 2HB GLU 132 3.725 9.154 8.036 1051 1HG GLU 132 1HG GLU 132 1.268 10.361 6.776 1052 2HG GLU 132 2HG GLU 132 1.283 10.262 8.523 1053 H ARG 133 H ARG 133 5.430 8.790 6.186 1054 HA ARG 133 HA ARG 133 5.618 11.118 4.589 1055 1HB ARG 133 1HB ARG 133 7.626 8.831 4.887 1056 2HB ARG 133 2HB ARG 133 7.991 10.378 4.133 1057 1HG ARG 133 1HG ARG 133 7.198 9.934 7.026 1058 2HG ARG 133 2HG ARG 133 8.818 10.275 6.423 1059 1HD ARG 133 1HD ARG 133 6.431 12.172 6.303 1060 2HD ARG 133 2HD ARG 133 7.762 12.276 7.440 1061 HE ARG 133 HE ARG 133 7.732 13.072 4.631 1062 1HH1 ARG 133 1HH2 ARG 133 9.838 12.332 7.393 1063 2HH1 ARG 133 2HH2 ARG 133 11.189 13.206 6.779 1064 1HH2 ARG 133 1HH1 ARG 133 9.531 14.251 3.819 1065 2HH2 ARG 133 2HH1 ARG 133 11.006 14.315 4.701 1066 H SER 134 H SER 134 5.721 7.694 3.583 1067 HA SER 134 HA SER 134 6.199 8.198 0.824 1068 1HB SER 134 1HB SER 134 4.674 5.908 2.126 1069 2HB SER 134 2HB SER 134 5.333 5.926 0.481 1070 HG SER 134 HG SER 134 6.727 5.990 2.961 1071 H ALA 135 H ALA 135 3.064 7.711 2.580 1072 HA ALA 135 HA ALA 135 1.399 8.126 0.344 1073 1HB ALA 135 1HB ALA 135 -0.380 8.502 2.002 1074 2HB ALA 135 2HB ALA 135 0.638 7.138 2.503 1075 3HB ALA 135 3HB ALA 135 0.833 8.716 3.285 1076 H ARG 136 H ARG 136 2.825 10.483 2.652 1077 HA ARG 136 HA ARG 136 1.410 12.774 1.698 1078 1HB ARG 136 1HB ARG 136 2.650 12.515 3.858 1079 2HB ARG 136 2HB ARG 136 4.173 12.508 2.972 1080 1HG ARG 136 1HG ARG 136 3.664 14.831 2.170 1081 2HG ARG 136 2HG ARG 136 2.209 14.829 3.184 1082 1HD ARG 136 1HD ARG 136 5.054 14.353 4.199 1083 2HD ARG 136 2HD ARG 136 4.260 15.917 4.222 1084 HE ARG 136 HE ARG 136 3.577 13.507 5.871 1085 1HH1 ARG 136 1HH2 ARG 136 2.927 16.950 5.194 1086 2HH1 ARG 136 2HH2 ARG 136 2.175 17.239 6.717 1087 1HH2 ARG 136 1HH1 ARG 136 2.640 13.903 7.890 1088 2HH2 ARG 136 2HH1 ARG 136 1.990 15.466 8.274 1089 H GLN 137 H GLN 137 4.580 11.310 0.716 1090 HA GLN 137 HA GLN 137 5.181 13.305 -1.229 1091 1HB GLN 137 1HB GLN 137 6.060 10.411 -0.968 1092 2HB GLN 137 2HB GLN 137 6.749 11.550 -2.122 1093 1HG GLN 137 1HG GLN 137 6.774 12.184 0.850 1094 2HG GLN 137 2HG GLN 137 7.946 11.082 0.142 1095 1HE2 GLN 137 2HE2 GLN 137 9.582 12.593 0.871 1096 2HE2 GLN 137 1HE2 GLN 137 9.920 14.029 -0.064 1097 H TRP 138 H TRP 138 3.553 10.072 -1.541 1098 HA TRP 138 HA TRP 138 3.017 10.324 -4.315 1099 1HB TRP 138 1HB TRP 138 1.662 8.732 -2.116 1100 2HB TRP 138 2HB TRP 138 1.071 8.730 -3.771 1101 HD1 TRP 138 HD1 TRP 138 3.739 7.191 -1.628 1102 HE1 TRP 138 HE1 TRP 138 5.333 5.759 -2.959 1103 HE3 TRP 138 HE3 TRP 138 1.966 8.235 -6.313 1104 HZ2 TRP 138 HZ2 TRP 138 5.690 4.969 -5.748 1105 HZ3 TRP 138 HZ3 TRP 138 2.948 7.105 -8.292 1106 HH2 TRP 138 HH2 TRP 138 4.826 5.498 -8.018 1107 H ALA 139 H ALA 139 1.090 11.470 -1.468 1108 HA ALA 139 HA ALA 139 -1.083 12.460 -2.981 1109 1HB ALA 139 1HB ALA 139 -1.155 12.198 -0.545 1110 2HB ALA 139 2HB ALA 139 0.068 13.473 -0.343 1111 3HB ALA 139 3HB ALA 139 -1.523 13.874 -1.003 1112 H GLN 140 H GLN 140 1.986 14.063 -1.998 1113 HA GLN 140 HA GLN 140 1.532 16.594 -3.148 1114 1HB GLN 140 1HB GLN 140 3.314 16.259 -1.655 1115 2HB GLN 140 2HB GLN 140 3.988 14.921 -2.538 1116 1HG GLN 140 1HG GLN 140 4.036 17.804 -3.480 1117 2HG GLN 140 2HG GLN 140 5.334 16.983 -2.609 1118 1HE2 GLN 140 2HE2 GLN 140 5.074 14.365 -4.126 1119 2HE2 GLN 140 1HE2 GLN 140 5.729 14.730 -5.699 1120 H ALA 141 H ALA 141 2.561 13.523 -4.710 1121 HA ALA 141 HA ALA 141 3.076 14.802 -7.258 1122 1HB ALA 141 1HB ALA 141 4.174 12.714 -6.540 1123 2HB ALA 141 2HB ALA 141 2.619 11.857 -6.590 1124 3HB ALA 141 3HB ALA 141 3.310 12.518 -8.083 1125 H LEU 142 H LEU 142 0.483 12.675 -6.018 1126 HA LEU 142 HA LEU 142 -1.303 12.678 -8.151 1127 1HB LEU 142 1HB LEU 142 -1.760 12.628 -5.160 1128 2HB LEU 142 2HB LEU 142 -3.082 12.454 -6.295 1129 HG LEU 142 HG LEU 142 -0.667 10.595 -6.320 1130 1HD1 LEU 142 1HD1 LEU 142 -1.789 10.433 -4.138 1131 2HD1 LEU 142 2HD1 LEU 142 -3.360 10.231 -4.944 1132 3HD1 LEU 142 3HD1 LEU 142 -2.101 8.985 -5.103 1133 1HD2 LEU 142 1HD2 LEU 142 -3.458 10.296 -7.508 1134 2HD2 LEU 142 2HD2 LEU 142 -1.963 10.588 -8.424 1135 3HD2 LEU 142 3HD2 LEU 142 -2.181 9.078 -7.538 1136 H ASN 143 H ASN 143 -0.974 15.166 -5.609 1137 HA ASN 143 HA ASN 143 -3.131 16.805 -6.290 1138 1HB ASN 143 1HB ASN 143 -1.745 17.012 -4.243 1139 2HB ASN 143 2HB ASN 143 -0.397 17.601 -5.217 1140 1HD2 ASN 143 2HD2 ASN 143 -0.198 19.836 -5.142 1141 2HD2 ASN 143 1HD2 ASN 143 -1.529 20.943 -4.944 1142 H ALA 144 H ALA 144 -0.247 16.285 -8.207 1143 HA ALA 144 HA ALA 144 -1.231 18.338 -10.078 1144 1HB ALA 144 1HB ALA 144 1.093 19.074 -10.537 1145 2HB ALA 144 2HB ALA 144 0.715 19.309 -8.821 1146 3HB ALA 144 3HB ALA 144 1.707 17.923 -9.328 1147 H GLU 145 H GLU 145 -1.569 15.473 -9.904 1148 HA GLU 145 HA GLU 145 -0.055 14.424 -12.214 1149 1HB GLU 145 1HB GLU 145 -0.285 13.150 -10.056 1150 2HB GLU 145 2HB GLU 145 -2.018 13.029 -10.346 1151 1HG GLU 145 1HG GLU 145 -0.819 10.994 -10.942 1152 2HG GLU 145 2HG GLU 145 -1.592 11.692 -12.356 1153 H GLN 146 H GLN 146 -1.411 16.423 -13.128 1154 HA GLN 146 HA GLN 146 -3.654 15.277 -14.609 1155 1HB GLN 146 1HB GLN 146 -3.708 18.052 -13.307 1156 2HB GLN 146 2HB GLN 146 -4.891 17.417 -14.442 1157 1HG GLN 146 1HG GLN 146 -5.937 17.166 -12.368 1158 2HG GLN 146 2HG GLN 146 -5.376 15.552 -12.773 1159 1HE2 GLN 146 2HE2 GLN 146 -4.748 14.546 -10.845 1160 2HE2 GLN 146 1HE2 GLN 146 -3.838 15.298 -9.568 1161 H VAL 147 H VAL 147 -3.787 16.041 -16.678 1162 HA VAL 147 HA VAL 147 -1.605 17.670 -17.782 1163 HB VAL 147 HB VAL 147 -1.180 15.708 -19.382 1164 1HG1 VAL 147 1HG1 VAL 147 0.427 16.414 -17.606 1165 2HG1 VAL 147 2HG1 VAL 147 -0.318 15.247 -16.490 1166 3HG1 VAL 147 3HG1 VAL 147 0.498 14.682 -17.957 1167 1HG2 VAL 147 1HG2 VAL 147 -2.404 14.030 -17.121 1168 2HG2 VAL 147 2HG2 VAL 147 -3.118 14.261 -18.734 1169 3HG2 VAL 147 3HG2 VAL 147 -1.570 13.425 -18.565 Start of MODEL 13 1 H MET 1 H MET 1 -6.454 11.032 -15.345 2 HA MET 1 HA MET 1 -4.290 11.130 -13.368 3 1HB MET 1 1HB MET 1 -6.302 12.849 -13.270 4 2HB MET 1 2HB MET 1 -7.221 11.477 -12.664 5 1HG MET 1 1HG MET 1 -4.633 12.580 -11.484 6 2HG MET 1 2HG MET 1 -6.253 12.967 -10.924 7 1HE MET 1 1HE MET 1 -5.609 12.472 -8.439 8 2HE MET 1 2HE MET 1 -4.737 11.007 -7.934 9 3HE MET 1 3HE MET 1 -3.960 12.169 -9.032 10 H PHE 2 H PHE 2 -3.998 9.207 -12.205 11 HA PHE 2 HA PHE 2 -4.876 6.813 -13.351 12 1HB PHE 2 1HB PHE 2 -3.905 7.232 -10.501 13 2HB PHE 2 2HB PHE 2 -3.915 5.718 -11.388 14 HD1 PHE 2 HD1 PHE 2 -1.918 8.502 -10.480 15 HD2 PHE 2 HD2 PHE 2 -2.587 5.735 -13.716 16 HE1 PHE 2 HE1 PHE 2 0.364 8.958 -11.342 17 HE2 PHE 2 HE2 PHE 2 -0.311 6.200 -14.582 18 HZ PHE 2 HZ PHE 2 1.173 7.806 -13.393 19 H ASN 3 H ASN 3 -6.310 8.605 -10.650 20 HA ASN 3 HA ASN 3 -8.249 8.575 -9.578 21 1HB ASN 3 1HB ASN 3 -9.390 8.790 -11.609 22 2HB ASN 3 2HB ASN 3 -9.102 7.120 -12.080 23 1HD2 ASN 3 2HD2 ASN 3 -11.054 9.172 -9.874 24 2HD2 ASN 3 1HD2 ASN 3 -12.247 7.942 -9.559 25 H ASN 4 H ASN 4 -7.373 5.228 -10.523 26 HA ASN 4 HA ASN 4 -8.470 4.304 -7.920 27 1HB ASN 4 1HB ASN 4 -9.263 2.245 -9.128 28 2HB ASN 4 2HB ASN 4 -10.181 3.714 -9.425 29 1HD2 ASN 4 2HD2 ASN 4 -10.166 4.664 -11.530 30 2HD2 ASN 4 1HD2 ASN 4 -9.498 3.806 -12.907 31 H ILE 5 H ILE 5 -7.070 3.274 -6.775 32 HA ILE 5 HA ILE 5 -4.617 2.169 -8.048 33 HB ILE 5 HB ILE 5 -4.997 4.183 -5.819 34 1HG1 ILE 5 1HG1 ILE 5 -2.869 4.241 -7.964 35 2HG1 ILE 5 2HG1 ILE 5 -4.516 4.679 -8.399 36 1HG2 ILE 5 1HG2 ILE 5 -2.612 4.059 -5.197 37 2HG2 ILE 5 2HG2 ILE 5 -3.425 2.555 -4.815 38 3HG2 ILE 5 3HG2 ILE 5 -2.392 2.650 -6.257 39 1HD1 ILE 5 1HD1 ILE 5 -4.536 6.413 -6.683 40 2HD1 ILE 5 2HD1 ILE 5 -2.832 6.064 -6.292 41 3HD1 ILE 5 3HD1 ILE 5 -3.274 6.668 -7.903 42 H LEU 6 H LEU 6 -3.566 0.512 -6.866 43 HA LEU 6 HA LEU 6 -5.162 -0.725 -4.660 44 1HB LEU 6 1HB LEU 6 -5.817 -1.679 -6.751 45 2HB LEU 6 2HB LEU 6 -4.167 -2.042 -7.204 46 HG LEU 6 HG LEU 6 -5.622 -3.961 -6.533 47 1HD1 LEU 6 1HD1 LEU 6 -3.192 -4.186 -6.560 48 2HD1 LEU 6 2HD1 LEU 6 -3.120 -3.678 -4.858 49 3HD1 LEU 6 3HD1 LEU 6 -3.952 -5.170 -5.301 50 1HD2 LEU 6 1HD2 LEU 6 -5.243 -3.005 -3.685 51 2HD2 LEU 6 2HD2 LEU 6 -6.758 -2.841 -4.612 52 3HD2 LEU 6 3HD2 LEU 6 -6.097 -4.451 -4.243 53 H VAL 7 H VAL 7 -3.912 -1.189 -2.974 54 HA VAL 7 HA VAL 7 -0.981 -0.996 -3.279 55 HB VAL 7 HB VAL 7 -2.674 -1.149 -0.751 56 1HG1 VAL 7 1HG1 VAL 7 -0.626 -0.231 0.309 57 2HG1 VAL 7 2HG1 VAL 7 -0.313 -1.798 -0.418 58 3HG1 VAL 7 3HG1 VAL 7 0.225 -0.318 -1.246 59 1HG2 VAL 7 1HG2 VAL 7 -2.268 1.303 -0.551 60 2HG2 VAL 7 2HG2 VAL 7 -1.561 1.313 -2.183 61 3HG2 VAL 7 3HG2 VAL 7 -3.278 0.916 -1.941 62 H VAL 8 H VAL 8 0.364 -2.780 -2.933 63 HA VAL 8 HA VAL 8 -0.911 -5.324 -2.022 64 HB VAL 8 HB VAL 8 1.293 -5.078 -4.105 65 1HG1 VAL 8 1HG1 VAL 8 1.241 -7.218 -2.798 66 2HG1 VAL 8 2HG1 VAL 8 -0.455 -7.448 -3.299 67 3HG1 VAL 8 3HG1 VAL 8 0.847 -7.466 -4.493 68 1HG2 VAL 8 1HG2 VAL 8 -0.368 -5.807 -5.791 69 2HG2 VAL 8 2HG2 VAL 8 -1.653 -5.649 -4.573 70 3HG2 VAL 8 3HG2 VAL 8 -0.754 -4.217 -5.137 71 H CYS 9 H CYS 9 0.109 -6.170 -0.257 72 HA CYS 9 HA CYS 9 3.024 -5.593 0.110 73 1HB CYS 9 1HB CYS 9 0.976 -5.678 2.367 74 2HB CYS 9 2HB CYS 9 2.719 -5.355 2.503 75 HG CYS 9 HG CYS 9 0.258 -3.652 1.205 76 H VAL 10 H VAL 10 3.778 -7.359 2.017 77 HA VAL 10 HA VAL 10 2.733 -9.953 0.996 78 HB VAL 10 HB VAL 10 5.096 -9.855 1.085 79 1HG1 VAL 10 1HG1 VAL 10 4.962 -9.406 4.088 80 2HG1 VAL 10 2HG1 VAL 10 6.414 -9.740 3.131 81 3HG1 VAL 10 3HG1 VAL 10 5.538 -8.238 2.867 82 1HG2 VAL 10 1HG2 VAL 10 3.971 -11.991 1.507 83 2HG2 VAL 10 2HG2 VAL 10 5.530 -11.894 2.338 84 3HG2 VAL 10 3HG2 VAL 10 4.027 -11.686 3.259 85 H GLY 11 H GLY 11 2.999 -7.997 4.052 86 1HA GLY 11 1HA GLY 11 0.914 -9.707 5.300 87 2HA GLY 11 2HA GLY 11 1.849 -8.399 6.060 88 H ASN 12 H ASN 12 -0.465 -8.872 3.348 89 HA ASN 12 HA ASN 12 -1.668 -6.477 3.120 90 1HB ASN 12 1HB ASN 12 -2.355 -8.485 1.889 91 2HB ASN 12 2HB ASN 12 -3.124 -9.139 3.332 92 1HD2 ASN 12 1HD2 ASN 12 -4.043 -5.881 3.456 93 2HD2 ASN 12 2HD2 ASN 12 -5.540 -6.071 2.569 94 H ILE 13 H ILE 13 -2.361 -8.741 5.850 95 HA ILE 13 HA ILE 13 -4.478 -7.207 6.918 96 HB ILE 13 HB ILE 13 -4.314 -8.522 8.884 97 1HG1 ILE 13 1HG1 ILE 13 -1.975 -8.581 9.410 98 2HG1 ILE 13 2HG1 ILE 13 -2.670 -10.183 9.398 99 1HG2 ILE 13 1HG2 ILE 13 -4.567 -10.755 7.959 100 2HG2 ILE 13 2HG2 ILE 13 -5.325 -9.545 6.930 101 3HG2 ILE 13 3HG2 ILE 13 -3.778 -10.269 6.445 102 1HD1 ILE 13 1HD1 ILE 13 -1.587 -10.611 7.169 103 2HD1 ILE 13 2HD1 ILE 13 -0.805 -9.009 7.305 104 3HD1 ILE 13 3HD1 ILE 13 -0.449 -10.274 8.481 105 H CYS 14 H CYS 14 -1.388 -6.037 6.637 106 HA CYS 14 HA CYS 14 -1.695 -4.312 9.055 107 1HB CYS 14 1HB CYS 14 0.920 -5.502 8.014 108 2HB CYS 14 2HB CYS 14 0.727 -4.399 9.385 109 HG CYS 14 HG CYS 14 1.260 -6.822 10.244 110 H ARG 15 H ARG 15 0.449 -4.540 6.106 111 HA ARG 15 HA ARG 15 0.722 -1.652 6.250 112 1HB ARG 15 1HB ARG 15 1.821 -3.734 4.333 113 2HB ARG 15 2HB ARG 15 2.137 -1.991 4.174 114 1HG ARG 15 1HG ARG 15 2.981 -2.037 6.569 115 2HG ARG 15 2HG ARG 15 2.895 -3.799 6.495 116 1HD ARG 15 1HD ARG 15 4.477 -2.053 4.554 117 2HD ARG 15 2HD ARG 15 5.161 -2.770 6.013 118 HE ARG 15 HE ARG 15 4.079 -4.949 4.687 119 1HH1 ARG 15 1HH2 ARG 15 6.664 -2.637 4.225 120 2HH1 ARG 15 2HH2 ARG 15 7.579 -3.615 3.142 121 1HH2 ARG 15 2HH1 ARG 15 5.363 -6.317 3.500 122 2HH2 ARG 15 1HH1 ARG 15 6.806 -5.785 2.664 123 H SER 16 H SER 16 -0.827 -3.799 3.779 124 HA SER 16 HA SER 16 -1.269 -1.815 1.948 125 1HB SER 16 1HB SER 16 -3.226 -4.065 2.411 126 2HB SER 16 2HB SER 16 -2.850 -3.215 0.895 127 HG SER 16 HG SER 16 -1.761 -5.163 0.918 128 HA PRO 17 HA PRO 17 -5.527 -0.570 3.665 129 1HB PRO 17 1HB PRO 17 -6.254 -1.044 6.270 130 2HB PRO 17 2HB PRO 17 -6.605 -2.139 4.900 131 1HG PRO 17 1HG PRO 17 -4.301 -2.305 6.869 132 2HG PRO 17 2HG PRO 17 -5.410 -3.617 6.349 133 1HD PRO 17 1HD PRO 17 -2.982 -3.315 5.229 134 2HD PRO 17 2HD PRO 17 -4.398 -3.755 4.222 135 H THR 18 H THR 18 -2.660 -0.491 5.790 136 HA THR 18 HA THR 18 -3.326 2.015 7.063 137 HB THR 18 HB THR 18 -0.640 0.621 6.654 138 HG1 THR 18 1HG THR 18 -1.686 -0.718 7.937 139 1HG2 THR 18 1HG2 THR 18 -1.499 2.842 8.551 140 2HG2 THR 18 2HG2 THR 18 0.026 1.930 8.677 141 3HG2 THR 18 3HG2 THR 18 -0.276 2.955 7.270 142 H ALA 19 H ALA 19 -1.238 1.116 4.217 143 HA ALA 19 HA ALA 19 -0.639 3.823 3.492 144 1HB ALA 19 1HB ALA 19 0.692 2.004 2.616 145 2HB ALA 19 2HB ALA 19 -0.740 1.248 1.886 146 3HB ALA 19 3HB ALA 19 -0.138 2.787 1.243 147 H GLU 20 H GLU 20 -3.232 1.559 2.436 148 HA GLU 20 HA GLU 20 -4.458 3.113 0.465 149 1HB GLU 20 1HB GLU 20 -5.040 0.798 0.946 150 2HB GLU 20 2HB GLU 20 -5.543 1.240 2.576 151 1HG GLU 20 1HG GLU 20 -7.358 2.714 1.338 152 2HG GLU 20 2HG GLU 20 -6.998 1.636 -0.008 153 H ARG 21 H ARG 21 -5.298 3.015 4.004 154 HA ARG 21 HA ARG 21 -7.192 5.129 3.722 155 1HB ARG 21 1HB ARG 21 -5.702 3.996 6.134 156 2HB ARG 21 2HB ARG 21 -6.966 5.215 6.240 157 1HG ARG 21 1HG ARG 21 -7.363 2.416 5.107 158 2HG ARG 21 2HG ARG 21 -7.815 2.985 6.710 159 1HD ARG 21 1HD ARG 21 -9.113 4.842 5.193 160 2HD ARG 21 2HD ARG 21 -9.134 3.491 4.053 161 HE ARG 21 HE ARG 21 -10.599 3.816 6.528 162 1HH1 ARG 21 1HH2 ARG 21 -9.444 1.241 4.279 163 2HH1 ARG 21 2HH2 ARG 21 -10.220 -0.002 5.187 164 1HH2 ARG 21 1HH1 ARG 21 -11.358 2.132 7.783 165 2HH2 ARG 21 2HH1 ARG 21 -11.290 0.496 7.247 166 H LEU 22 H LEU 22 -3.695 5.208 4.550 167 HA LEU 22 HA LEU 22 -3.592 7.972 5.234 168 1HB LEU 22 1HB LEU 22 -1.612 5.999 4.056 169 2HB LEU 22 2HB LEU 22 -1.179 7.689 4.222 170 HG LEU 22 HG LEU 22 -2.215 6.137 6.622 171 1HD1 LEU 22 1HD1 LEU 22 0.217 5.784 7.203 172 2HD1 LEU 22 2HD1 LEU 22 -0.333 4.845 5.808 173 3HD1 LEU 22 3HD1 LEU 22 0.630 6.295 5.545 174 1HD2 LEU 22 1HD2 LEU 22 -2.153 8.573 6.869 175 2HD2 LEU 22 2HD2 LEU 22 -0.840 7.865 7.816 176 3HD2 LEU 22 3HD2 LEU 22 -0.488 8.633 6.258 177 H LEU 23 H LEU 23 -3.238 6.344 2.032 178 HA LEU 23 HA LEU 23 -2.835 8.706 0.498 179 1HB LEU 23 1HB LEU 23 -4.048 5.994 -0.164 180 2HB LEU 23 2HB LEU 23 -3.831 7.240 -1.381 181 HG LEU 23 HG LEU 23 -1.475 6.310 0.289 182 1HD1 LEU 23 1HD1 LEU 23 -2.471 4.291 -0.679 183 2HD1 LEU 23 2HD1 LEU 23 -2.496 5.046 -2.295 184 3HD1 LEU 23 3HD1 LEU 23 -0.964 4.661 -1.480 185 1HD2 LEU 23 1HD2 LEU 23 -1.212 8.392 -1.038 186 2HD2 LEU 23 2HD2 LEU 23 -0.186 7.098 -1.652 187 3HD2 LEU 23 3HD2 LEU 23 -1.684 7.512 -2.508 188 H GLN 24 H GLN 24 -5.876 7.032 1.486 189 HA GLN 24 HA GLN 24 -7.525 8.891 0.015 190 1HB GLN 24 1HB GLN 24 -8.214 6.922 2.236 191 2HB GLN 24 2HB GLN 24 -9.381 7.910 1.339 192 1HG GLN 24 1HG GLN 24 -8.300 6.908 -0.806 193 2HG GLN 24 2HG GLN 24 -7.626 5.681 0.265 194 1HE2 GLN 24 2HE2 GLN 24 -10.369 6.737 -1.486 195 2HE2 GLN 24 1HE2 GLN 24 -11.551 5.612 -0.817 196 H ARG 25 H ARG 25 -6.191 8.918 3.352 197 HA ARG 25 HA ARG 25 -7.807 11.060 4.250 198 1HB ARG 25 1HB ARG 25 -6.117 9.550 5.548 199 2HB ARG 25 2HB ARG 25 -4.891 10.734 5.065 200 1HG ARG 25 1HG ARG 25 -6.243 12.532 6.168 201 2HG ARG 25 2HG ARG 25 -7.480 11.322 6.564 202 1HD ARG 25 1HD ARG 25 -5.552 10.052 7.767 203 2HD ARG 25 2HD ARG 25 -4.683 11.599 7.703 204 HE ARG 25 HE ARG 25 -7.140 12.289 8.707 205 1HH1 ARG 25 1HH2 ARG 25 -4.631 10.035 9.799 206 2HH1 ARG 25 2HH2 ARG 25 -5.282 9.871 11.398 207 1HH2 ARG 25 1HH1 ARG 25 -8.066 11.967 10.784 208 2HH2 ARG 25 2HH1 ARG 25 -7.431 10.748 11.831 209 H TYR 26 H TYR 26 -4.700 11.003 2.445 210 HA TYR 26 HA TYR 26 -4.575 13.846 2.142 211 1HB TYR 26 1HB TYR 26 -3.259 11.574 0.617 212 2HB TYR 26 2HB TYR 26 -2.991 13.275 0.261 213 HD1 TYR 26 HD1 TYR 26 -2.387 14.819 2.338 214 HD2 TYR 26 HD2 TYR 26 -1.692 10.565 2.131 215 HE1 TYR 26 HE1 TYR 26 -0.708 15.012 4.134 216 HE2 TYR 26 HE2 TYR 26 -0.002 10.749 3.931 217 HH TYR 26 HH TYR 26 1.047 12.168 5.458 218 H HIS 27 H HIS 27 -6.259 11.322 0.163 219 HA HIS 27 HA HIS 27 -7.461 13.534 -1.426 220 1HB HIS 27 1HB HIS 27 -6.068 11.056 -2.500 221 2HB HIS 27 2HB HIS 27 -7.196 12.055 -3.423 222 HD1 HIS 27 HD1 HIS 27 -6.422 14.738 -3.700 223 HD2 HIS 27 HD2 HIS 27 -3.537 11.833 -2.701 224 HE1 HIS 27 HE1 HIS 27 -4.154 15.741 -4.281 225 HA PRO 28 HA PRO 28 -10.592 10.703 0.448 226 1HB PRO 28 1HB PRO 28 -12.220 13.193 -0.089 227 2HB PRO 28 2HB PRO 28 -12.298 12.078 1.311 228 1HG PRO 28 1HG PRO 28 -10.990 14.439 1.531 229 2HG PRO 28 2HG PRO 28 -10.258 12.947 2.209 230 1HD PRO 28 1HD PRO 28 -9.624 14.327 -0.408 231 2HD PRO 28 2HD PRO 28 -8.513 13.630 0.808 232 H GLU 29 H GLU 29 -10.554 12.453 -2.621 233 HA GLU 29 HA GLU 29 -12.926 11.012 -3.635 234 1HB GLU 29 1HB GLU 29 -12.713 12.387 -5.590 235 2HB GLU 29 2HB GLU 29 -12.721 13.390 -4.154 236 1HG GLU 29 1HG GLU 29 -10.129 12.614 -5.571 237 2HG GLU 29 2HG GLU 29 -11.112 13.973 -6.082 238 H LEU 30 H LEU 30 -9.613 10.333 -3.337 239 HA LEU 30 HA LEU 30 -9.217 9.043 -5.937 240 1HB LEU 30 1HB LEU 30 -7.431 10.149 -4.489 241 2HB LEU 30 2HB LEU 30 -7.623 8.819 -3.346 242 HG LEU 30 HG LEU 30 -6.904 7.242 -5.195 243 1HD1 LEU 30 1HD1 LEU 30 -7.455 8.616 -7.171 244 2HD1 LEU 30 2HD1 LEU 30 -6.331 9.878 -6.640 245 3HD1 LEU 30 3HD1 LEU 30 -5.722 8.295 -7.155 246 1HD2 LEU 30 1HD2 LEU 30 -4.510 7.913 -4.998 247 2HD2 LEU 30 2HD2 LEU 30 -5.004 9.528 -4.462 248 3HD2 LEU 30 3HD2 LEU 30 -5.350 8.109 -3.458 249 H LYS 31 H LYS 31 -9.423 6.765 -6.289 250 HA LYS 31 HA LYS 31 -10.888 5.302 -4.129 251 1HB LYS 31 1HB LYS 31 -11.966 5.256 -6.322 252 2HB LYS 31 2HB LYS 31 -10.491 4.660 -7.086 253 1HG LYS 31 1HG LYS 31 -10.597 2.587 -5.736 254 2HG LYS 31 2HG LYS 31 -12.040 3.180 -4.907 255 1HD LYS 31 1HD LYS 31 -11.831 2.598 -7.895 256 2HD LYS 31 2HD LYS 31 -12.517 1.510 -6.681 257 1HE LYS 31 1HE LYS 31 -14.225 3.238 -6.107 258 2HE LYS 31 2HE LYS 31 -13.578 4.289 -7.372 259 1HZ LYS 31 1HZ LYS 31 -14.783 1.621 -7.827 260 2HZ LYS 31 2HZ LYS 31 -15.490 3.049 -8.149 261 3HZ LYS 31 3HZ LYS 31 -14.181 2.590 -9.001 262 H VAL 32 H VAL 32 -9.633 3.976 -2.890 263 HA VAL 32 HA VAL 32 -7.192 2.822 -4.070 264 HB VAL 32 HB VAL 32 -7.139 4.024 -1.286 265 1HG1 VAL 32 1HG1 VAL 32 -4.680 3.803 -1.622 266 2HG1 VAL 32 2HG1 VAL 32 -5.498 2.237 -1.754 267 3HG1 VAL 32 3HG1 VAL 32 -4.971 3.088 -3.215 268 1HG2 VAL 32 1HG2 VAL 32 -5.747 5.867 -2.162 269 2HG2 VAL 32 2HG2 VAL 32 -6.057 5.323 -3.825 270 3HG2 VAL 32 3HG2 VAL 32 -7.378 5.950 -2.814 271 H GLU 33 H GLU 33 -7.005 0.690 -3.505 272 HA GLU 33 HA GLU 33 -8.439 -0.290 -1.100 273 1HB GLU 33 1HB GLU 33 -8.756 -1.466 -3.893 274 2HB GLU 33 2HB GLU 33 -9.190 -2.307 -2.398 275 1HG GLU 33 1HG GLU 33 -10.688 -0.362 -1.809 276 2HG GLU 33 2HG GLU 33 -10.432 0.254 -3.449 277 H SER 34 H SER 34 -7.742 -2.809 -0.963 278 HA SER 34 HA SER 34 -4.752 -2.811 -1.097 279 1HB SER 34 1HB SER 34 -6.692 -3.464 1.143 280 2HB SER 34 2HB SER 34 -4.974 -3.818 1.215 281 HG SER 34 HG SER 34 -6.369 -1.374 1.219 282 H ALA 35 H ALA 35 -3.735 -4.849 -1.088 283 HA ALA 35 HA ALA 35 -5.208 -7.333 -0.746 284 1HB ALA 35 1HB ALA 35 -3.838 -6.730 -3.415 285 2HB ALA 35 2HB ALA 35 -4.580 -8.277 -2.941 286 3HB ALA 35 3HB ALA 35 -5.598 -6.857 -3.187 287 H GLY 36 H GLY 36 -3.304 -9.178 -1.288 288 1HA GLY 36 1HA GLY 36 -0.627 -8.079 -1.185 289 2HA GLY 36 2HA GLY 36 -1.063 -8.893 0.300 290 H LEU 37 H LEU 37 1.110 -9.589 -1.191 291 HA LEU 37 HA LEU 37 0.629 -11.813 -2.991 292 1HB LEU 37 1HB LEU 37 3.045 -10.734 -1.503 293 2HB LEU 37 2HB LEU 37 3.143 -12.222 -2.436 294 HG LEU 37 HG LEU 37 2.130 -9.651 -3.698 295 1HD1 LEU 37 1HD1 LEU 37 4.362 -9.189 -2.795 296 2HD1 LEU 37 2HD1 LEU 37 5.012 -10.634 -3.604 297 3HD1 LEU 37 3HD1 LEU 37 4.389 -9.267 -4.565 298 1HD2 LEU 37 1HD2 LEU 37 3.451 -12.128 -4.907 299 2HD2 LEU 37 2HD2 LEU 37 1.713 -11.799 -4.935 300 3HD2 LEU 37 3HD2 LEU 37 2.820 -10.725 -5.796 301 H GLY 38 H GLY 38 1.309 -11.537 0.512 302 1HA GLY 38 1HA GLY 38 0.763 -14.472 0.794 303 2HA GLY 38 2HA GLY 38 1.877 -13.548 1.818 304 H ALA 39 H ALA 39 -1.310 -12.523 0.569 305 HA ALA 39 HA ALA 39 -2.083 -11.410 3.101 306 1HB ALA 39 1HB ALA 39 -2.860 -10.597 0.842 307 2HB ALA 39 2HB ALA 39 -3.802 -12.099 0.691 308 3HB ALA 39 3HB ALA 39 -4.199 -10.925 1.952 309 H LEU 40 H LEU 40 -4.210 -11.935 4.107 310 HA LEU 40 HA LEU 40 -4.691 -14.886 4.320 311 1HB LEU 40 1HB LEU 40 -4.679 -12.739 6.475 312 2HB LEU 40 2HB LEU 40 -5.188 -14.412 6.704 313 HG LEU 40 HG LEU 40 -2.366 -13.540 5.953 314 1HD1 LEU 40 1HD1 LEU 40 -2.989 -12.840 8.229 315 2HD1 LEU 40 2HD1 LEU 40 -3.496 -14.498 8.618 316 3HD1 LEU 40 3HD1 LEU 40 -1.789 -14.139 8.269 317 1HD2 LEU 40 1HD2 LEU 40 -1.749 -15.881 6.539 318 2HD2 LEU 40 2HD2 LEU 40 -3.471 -16.281 6.731 319 3HD2 LEU 40 3HD2 LEU 40 -2.822 -15.816 5.142 320 H VAL 41 H VAL 41 -6.388 -14.799 2.835 321 HA VAL 41 HA VAL 41 -8.192 -12.770 2.549 322 HB VAL 41 HB VAL 41 -7.873 -14.479 0.933 323 1HG1 VAL 41 1HG1 VAL 41 -9.432 -16.427 2.672 324 2HG1 VAL 41 2HG1 VAL 41 -8.827 -16.707 1.031 325 3HG1 VAL 41 3HG1 VAL 41 -7.684 -16.497 2.362 326 1HG2 VAL 41 1HG2 VAL 41 -10.792 -14.438 1.779 327 2HG2 VAL 41 2HG2 VAL 41 -9.961 -13.156 0.872 328 3HG2 VAL 41 3HG2 VAL 41 -10.151 -14.765 0.157 329 H GLY 42 H GLY 42 -9.713 -11.854 3.732 330 1HA GLY 42 1HA GLY 42 -11.624 -11.692 4.967 331 2HA GLY 42 2HA GLY 42 -11.624 -13.439 5.204 332 H LYS 43 H LYS 43 -8.590 -12.258 6.339 333 HA LYS 43 HA LYS 43 -9.499 -12.961 9.008 334 1HB LYS 43 1HB LYS 43 -6.820 -12.399 7.746 335 2HB LYS 43 2HB LYS 43 -6.945 -12.331 9.493 336 1HG LYS 43 1HG LYS 43 -6.248 -14.569 8.698 337 2HG LYS 43 2HG LYS 43 -7.721 -14.602 9.671 338 1HD LYS 43 1HD LYS 43 -9.124 -14.842 7.740 339 2HD LYS 43 2HD LYS 43 -7.772 -14.501 6.651 340 1HE LYS 43 1HE LYS 43 -6.727 -16.620 7.164 341 2HE LYS 43 2HE LYS 43 -7.918 -16.965 8.429 342 1HZ LYS 43 1HZ LYS 43 -9.600 -17.203 6.814 343 2HZ LYS 43 2HZ LYS 43 -8.728 -16.530 5.615 344 3HZ LYS 43 3HZ LYS 43 -8.339 -18.026 6.193 345 H GLY 44 H GLY 44 -9.544 -9.870 7.542 346 1HA GLY 44 1HA GLY 44 -10.104 -7.870 8.586 347 2HA GLY 44 2HA GLY 44 -9.854 -8.601 10.166 348 H ALA 45 H ALA 45 -8.806 -6.161 9.806 349 HA ALA 45 HA ALA 45 -5.979 -6.257 9.100 350 1HB ALA 45 1HB ALA 45 -7.160 -4.123 8.972 351 2HB ALA 45 2HB ALA 45 -7.608 -4.224 10.688 352 3HB ALA 45 3HB ALA 45 -5.905 -4.036 10.221 353 H ASP 46 H ASP 46 -4.248 -6.182 10.640 354 HA ASP 46 HA ASP 46 -4.562 -8.018 12.843 355 1HB ASP 46 1HB ASP 46 -2.494 -7.838 11.519 356 2HB ASP 46 2HB ASP 46 -2.237 -6.195 12.123 357 HA PRO 47 HA PRO 47 -5.935 -5.050 15.913 358 1HB PRO 47 1HB PRO 47 -4.228 -6.728 17.761 359 2HB PRO 47 2HB PRO 47 -5.871 -6.067 18.038 360 1HG PRO 47 1HG PRO 47 -5.561 -8.654 17.303 361 2HG PRO 47 2HG PRO 47 -6.842 -7.658 16.537 362 1HD PRO 47 1HD PRO 47 -4.130 -8.405 15.437 363 2HD PRO 47 2HD PRO 47 -5.718 -8.340 14.612 364 H THR 48 H THR 48 -2.440 -5.718 15.505 365 HA THR 48 HA THR 48 -1.640 -3.520 17.256 366 HB THR 48 HB THR 48 0.164 -4.717 15.160 367 HG1 THR 48 1HG THR 48 -0.773 -6.495 15.842 368 1HG2 THR 48 1HG2 THR 48 1.821 -4.590 17.005 369 2HG2 THR 48 2HG2 THR 48 1.062 -3.021 16.689 370 3HG2 THR 48 3HG2 THR 48 0.559 -3.983 18.099 371 H ALA 49 H ALA 49 -2.126 -4.121 13.750 372 HA ALA 49 HA ALA 49 -1.158 -1.568 12.842 373 1HB ALA 49 1HB ALA 49 -3.214 -3.482 11.629 374 2HB ALA 49 2HB ALA 49 -2.413 -2.138 10.787 375 3HB ALA 49 3HB ALA 49 -1.467 -3.531 11.350 376 H ILE 50 H ILE 50 -4.406 -2.840 13.745 377 HA ILE 50 HA ILE 50 -5.848 -0.429 13.325 378 HB ILE 50 HB ILE 50 -6.307 -2.655 15.334 379 1HG1 ILE 50 1HG1 ILE 50 -7.605 -2.232 12.597 380 2HG1 ILE 50 2HG1 ILE 50 -6.285 -3.351 12.887 381 1HG2 ILE 50 1HG2 ILE 50 -7.587 -0.620 15.972 382 2HG2 ILE 50 2HG2 ILE 50 -8.286 -0.548 14.341 383 3HG2 ILE 50 3HG2 ILE 50 -8.666 -1.891 15.443 384 1HD1 ILE 50 1HD1 ILE 50 -7.728 -4.587 14.538 385 2HD1 ILE 50 2HD1 ILE 50 -9.091 -3.556 14.035 386 3HD1 ILE 50 3HD1 ILE 50 -8.311 -4.622 12.867 387 H SER 51 H SER 51 -4.190 -1.648 16.328 388 HA SER 51 HA SER 51 -5.010 0.566 17.898 389 1HB SER 51 1HB SER 51 -2.601 -1.262 18.274 390 2HB SER 51 2HB SER 51 -3.341 -0.224 19.512 391 HG SER 51 HG SER 51 -4.427 -2.490 18.200 392 H VAL 52 H VAL 52 -2.032 0.136 15.894 393 HA VAL 52 HA VAL 52 -0.911 2.671 16.750 394 HB VAL 52 HB VAL 52 -0.379 0.819 14.401 395 1HG1 VAL 52 1HG1 VAL 52 1.175 3.341 15.139 396 2HG1 VAL 52 2HG1 VAL 52 1.645 2.116 13.933 397 3HG1 VAL 52 3HG1 VAL 52 0.217 3.108 13.661 398 1HG2 VAL 52 1HG2 VAL 52 1.762 0.483 15.706 399 2HG2 VAL 52 2HG2 VAL 52 1.127 1.533 16.971 400 3HG2 VAL 52 3HG2 VAL 52 0.324 -0.010 16.608 401 H ALA 53 H ALA 53 -3.058 1.689 13.974 402 HA ALA 53 HA ALA 53 -3.030 4.312 12.826 403 1HB ALA 53 1HB ALA 53 -5.184 2.172 12.654 404 2HB ALA 53 2HB ALA 53 -4.938 3.532 11.535 405 3HB ALA 53 3HB ALA 53 -3.728 2.243 11.628 406 H ALA 54 H ALA 54 -5.036 2.832 15.397 407 HA ALA 54 HA ALA 54 -6.888 4.968 15.645 408 1HB ALA 54 1HB ALA 54 -5.869 3.007 17.753 409 2HB ALA 54 2HB ALA 54 -7.336 3.998 17.871 410 3HB ALA 54 3HB ALA 54 -7.229 2.726 16.638 411 H GLU 55 H GLU 55 -3.585 4.506 17.074 412 HA GLU 55 HA GLU 55 -3.682 6.813 18.743 413 1HB GLU 55 1HB GLU 55 -1.986 4.941 18.749 414 2HB GLU 55 2HB GLU 55 -1.228 5.685 17.334 415 1HG GLU 55 1HG GLU 55 -0.857 7.769 18.657 416 2HG GLU 55 2HG GLU 55 -1.589 6.989 20.065 417 H HIS 56 H HIS 56 -3.272 6.458 15.270 418 HA HIS 56 HA HIS 56 -2.765 9.363 14.922 419 1HB HIS 56 1HB HIS 56 -2.744 7.072 12.925 420 2HB HIS 56 2HB HIS 56 -2.376 8.759 12.560 421 HD1 HIS 56 HD1 HIS 56 -0.126 9.753 14.061 422 HD2 HIS 56 HD2 HIS 56 -0.704 5.610 13.632 423 HE1 HIS 56 HE1 HIS 56 2.092 8.658 14.656 424 H GLN 57 H GLN 57 -5.368 7.757 15.731 425 HA GLN 57 HA GLN 57 -7.592 7.793 15.298 426 1HB GLN 57 1HB GLN 57 -6.850 10.708 14.762 427 2HB GLN 57 2HB GLN 57 -8.498 10.126 14.919 428 1HG GLN 57 1HG GLN 57 -7.872 11.127 16.975 429 2HG GLN 57 2HG GLN 57 -8.120 9.400 17.212 430 1HE2 GLN 57 2HE2 GLN 57 -5.177 11.249 16.061 431 2HE2 GLN 57 1HE2 GLN 57 -4.123 10.492 17.245 432 H LEU 58 H LEU 58 -6.530 6.463 13.277 433 HA LEU 58 HA LEU 58 -8.362 7.311 11.084 434 1HB LEU 58 1HB LEU 58 -5.674 7.456 10.732 435 2HB LEU 58 2HB LEU 58 -5.899 5.754 10.355 436 HG LEU 58 HG LEU 58 -7.219 8.154 9.026 437 1HD1 LEU 58 1HD1 LEU 58 -5.990 7.411 7.042 438 2HD1 LEU 58 2HD1 LEU 58 -4.873 7.670 8.391 439 3HD1 LEU 58 3HD1 LEU 58 -5.329 6.022 7.941 440 1HD2 LEU 58 1HD2 LEU 58 -8.942 6.438 9.049 441 2HD2 LEU 58 2HD2 LEU 58 -8.274 6.549 7.443 442 3HD2 LEU 58 3HD2 LEU 58 -7.785 5.201 8.509 443 H SER 59 H SER 59 -9.991 5.859 11.141 444 HA SER 59 HA SER 59 -9.681 3.386 12.544 445 1HB SER 59 1HB SER 59 -12.049 4.431 10.936 446 2HB SER 59 2HB SER 59 -12.078 3.158 12.171 447 HG SER 59 HG SER 59 -12.718 5.208 12.993 448 H LEU 60 H LEU 60 -8.368 1.864 11.415 449 HA LEU 60 HA LEU 60 -8.743 1.180 8.622 450 1HB LEU 60 1HB LEU 60 -7.743 -0.620 10.864 451 2HB LEU 60 2HB LEU 60 -7.575 -0.893 9.135 452 HG LEU 60 HG LEU 60 -6.205 1.226 10.808 453 1HD1 LEU 60 1HD1 LEU 60 -5.089 -1.093 9.174 454 2HD1 LEU 60 2HD1 LEU 60 -4.155 0.043 10.167 455 3HD1 LEU 60 3HD1 LEU 60 -5.290 -1.076 10.938 456 1HD2 LEU 60 1HD2 LEU 60 -6.090 0.885 7.784 457 2HD2 LEU 60 2HD2 LEU 60 -6.672 2.303 8.690 458 3HD2 LEU 60 3HD2 LEU 60 -4.965 1.870 8.745 459 H GLU 61 H GLU 61 -10.301 0.299 11.657 460 HA GLU 61 HA GLU 61 -12.290 -0.520 12.151 461 1HB GLU 61 1HB GLU 61 -13.080 0.974 10.370 462 2HB GLU 61 2HB GLU 61 -13.001 -0.355 9.206 463 1HG GLU 61 1HG GLU 61 -14.636 -1.643 10.545 464 2HG GLU 61 2HG GLU 61 -14.682 -0.353 11.748 465 H GLY 62 H GLY 62 -11.673 -2.272 9.036 466 1HA GLY 62 1HA GLY 62 -11.234 -4.834 10.227 467 2HA GLY 62 2HA GLY 62 -12.967 -4.600 9.924 468 H HIS 63 H HIS 63 -9.983 -3.654 8.134 469 HA HIS 63 HA HIS 63 -11.005 -3.959 5.548 470 1HB HIS 63 1HB HIS 63 -8.975 -2.709 5.892 471 2HB HIS 63 2HB HIS 63 -8.170 -4.101 6.637 472 HD1 HIS 63 HD1 HIS 63 -9.744 -3.329 3.137 473 HD2 HIS 63 HD2 HIS 63 -6.843 -5.687 5.073 474 HE1 HIS 63 HE1 HIS 63 -8.651 -4.752 1.337 475 H CYS 64 H CYS 64 -11.648 -5.703 4.532 476 HA CYS 64 HA CYS 64 -11.019 -8.406 5.475 477 1HB CYS 64 1HB CYS 64 -12.710 -7.170 3.291 478 2HB CYS 64 2HB CYS 64 -12.513 -8.936 3.470 479 HG CYS 64 HG CYS 64 -13.419 -6.811 5.853 480 H ALA 65 H ALA 65 -8.814 -8.642 5.156 481 HA ALA 65 HA ALA 65 -7.334 -7.985 2.841 482 1HB ALA 65 1HB ALA 65 -6.979 -10.127 4.973 483 2HB ALA 65 2HB ALA 65 -5.759 -9.753 3.745 484 3HB ALA 65 3HB ALA 65 -6.237 -8.512 4.920 485 H ARG 66 H ARG 66 -6.381 -9.452 1.261 486 HA ARG 66 HA ARG 66 -7.860 -11.823 0.413 487 1HB ARG 66 1HB ARG 66 -8.752 -10.796 -1.673 488 2HB ARG 66 2HB ARG 66 -9.526 -10.153 -0.227 489 1HG ARG 66 1HG ARG 66 -8.027 -8.130 -0.362 490 2HG ARG 66 2HG ARG 66 -7.361 -8.769 -1.876 491 1HD ARG 66 1HD ARG 66 -9.605 -8.694 -2.898 492 2HD ARG 66 2HD ARG 66 -10.277 -8.047 -1.380 493 HE ARG 66 HE ARG 66 -8.193 -6.351 -1.918 494 1HH1 ARG 66 1HH2 ARG 66 -11.141 -7.204 -3.722 495 2HH1 ARG 66 2HH2 ARG 66 -11.098 -5.775 -4.692 496 1HH2 ARG 66 1HH1 ARG 66 -8.106 -4.569 -3.196 497 2HH2 ARG 66 2HH1 ARG 66 -9.311 -4.245 -4.424 498 H GLN 67 H GLN 67 -6.686 -12.849 -1.373 499 HA GLN 67 HA GLN 67 -3.914 -11.936 -1.445 500 1HB GLN 67 1HB GLN 67 -4.676 -14.419 -1.321 501 2HB GLN 67 2HB GLN 67 -4.984 -14.253 -3.066 502 1HG GLN 67 1HG GLN 67 -2.591 -13.442 -3.323 503 2HG GLN 67 2HG GLN 67 -2.362 -13.673 -1.595 504 1HE2 GLN 67 2HE2 GLN 67 -0.517 -14.936 -2.446 505 2HE2 GLN 67 1HE2 GLN 67 -0.778 -16.620 -2.869 506 H ILE 68 H ILE 68 -2.833 -11.142 -3.145 507 HA ILE 68 HA ILE 68 -4.307 -9.739 -5.173 508 HB ILE 68 HB ILE 68 -2.107 -9.057 -4.245 509 1HG1 ILE 68 1HG1 ILE 68 -1.096 -8.242 -6.250 510 2HG1 ILE 68 2HG1 ILE 68 -1.873 -9.467 -7.259 511 1HG2 ILE 68 1HG2 ILE 68 -0.781 -11.171 -5.958 512 2HG2 ILE 68 2HG2 ILE 68 -0.037 -10.032 -4.825 513 3HG2 ILE 68 3HG2 ILE 68 -1.057 -11.355 -4.225 514 1HD1 ILE 68 1HD1 ILE 68 -3.344 -7.292 -5.731 515 2HD1 ILE 68 2HD1 ILE 68 -2.797 -7.141 -7.413 516 3HD1 ILE 68 3HD1 ILE 68 -4.016 -8.359 -6.991 517 H SER 69 H SER 69 -4.678 -10.340 -7.263 518 HA SER 69 HA SER 69 -3.854 -12.985 -8.269 519 1HB SER 69 1HB SER 69 -6.732 -12.073 -7.766 520 2HB SER 69 2HB SER 69 -6.312 -13.385 -8.895 521 HG SER 69 HG SER 69 -6.849 -14.138 -6.803 522 H ARG 70 H ARG 70 -4.101 -13.001 -10.652 523 HA ARG 70 HA ARG 70 -3.097 -10.657 -11.758 524 1HB ARG 70 1HB ARG 70 -2.891 -12.964 -12.687 525 2HB ARG 70 2HB ARG 70 -4.567 -12.882 -13.249 526 1HG ARG 70 1HG ARG 70 -3.976 -10.986 -14.746 527 2HG ARG 70 2HG ARG 70 -2.319 -11.010 -14.114 528 1HD ARG 70 1HD ARG 70 -2.097 -13.374 -14.924 529 2HD ARG 70 2HD ARG 70 -3.698 -13.227 -15.681 530 HE ARG 70 HE ARG 70 -2.274 -11.045 -16.640 531 1HH1 ARG 70 1HH1 ARG 70 -1.897 -14.582 -16.838 532 2HH1 ARG 70 2HH1 ARG 70 -0.926 -14.526 -18.262 533 1HH2 ARG 70 1HH2 ARG 70 -0.868 -10.956 -18.331 534 2HH2 ARG 70 2HH2 ARG 70 -0.390 -12.388 -19.218 535 H ARG 71 H ARG 71 -6.519 -11.725 -11.745 536 HA ARG 71 HA ARG 71 -7.535 -9.674 -13.402 537 1HB ARG 71 1HB ARG 71 -8.781 -11.708 -12.697 538 2HB ARG 71 2HB ARG 71 -8.897 -11.069 -11.050 539 1HG ARG 71 1HG ARG 71 -10.215 -9.138 -11.889 540 2HG ARG 71 2HG ARG 71 -10.042 -9.738 -13.552 541 1HD ARG 71 1HD ARG 71 -11.251 -11.808 -12.928 542 2HD ARG 71 2HD ARG 71 -11.415 -11.212 -11.262 543 HE ARG 71 HE ARG 71 -12.468 -9.252 -13.010 544 1HH1 ARG 71 1HH2 ARG 71 -13.258 -12.541 -11.930 545 2HH1 ARG 71 2HH2 ARG 71 -14.957 -12.362 -12.158 546 1HH2 ARG 71 1HH1 ARG 71 -14.735 -9.010 -13.316 547 2HH2 ARG 71 2HH1 ARG 71 -15.811 -10.307 -12.966 548 H LEU 72 H LEU 72 -7.048 -9.686 -9.804 549 HA LEU 72 HA LEU 72 -8.073 -6.997 -9.513 550 1HB LEU 72 1HB LEU 72 -6.338 -8.750 -7.746 551 2HB LEU 72 2HB LEU 72 -6.686 -7.072 -7.327 552 HG LEU 72 HG LEU 72 -8.897 -9.067 -7.892 553 1HD1 LEU 72 1HD1 LEU 72 -7.663 -8.337 -5.190 554 2HD1 LEU 72 2HD1 LEU 72 -9.110 -9.340 -5.436 555 3HD1 LEU 72 3HD1 LEU 72 -7.537 -9.914 -6.002 556 1HD2 LEU 72 1HD2 LEU 72 -9.566 -6.677 -7.978 557 2HD2 LEU 72 2HD2 LEU 72 -10.299 -7.524 -6.619 558 3HD2 LEU 72 3HD2 LEU 72 -8.913 -6.453 -6.337 559 H CYS 73 H CYS 73 -4.785 -8.360 -10.010 560 HA CYS 73 HA CYS 73 -3.369 -5.988 -9.593 561 1HB CYS 73 1HB CYS 73 -2.481 -8.372 -9.980 562 2HB CYS 73 2HB CYS 73 -2.653 -8.054 -11.720 563 HG CYS 73 HG CYS 73 -0.144 -7.805 -10.981 564 H ARG 74 H ARG 74 -5.047 -7.079 -12.602 565 HA ARG 74 HA ARG 74 -4.330 -4.502 -13.863 566 1HB ARG 74 1HB ARG 74 -5.019 -5.458 -15.922 567 2HB ARG 74 2HB ARG 74 -4.018 -6.621 -15.061 568 1HG ARG 74 1HG ARG 74 -6.309 -7.640 -14.251 569 2HG ARG 74 2HG ARG 74 -7.012 -6.691 -15.572 570 1HD ARG 74 1HD ARG 74 -5.379 -7.809 -17.139 571 2HD ARG 74 2HD ARG 74 -4.786 -8.758 -15.758 572 HE ARG 74 HE ARG 74 -7.647 -9.001 -16.151 573 1HH1 ARG 74 1HH2 ARG 74 -4.496 -10.196 -17.314 574 2HH1 ARG 74 2HH2 ARG 74 -5.139 -11.705 -17.884 575 1HH2 ARG 74 1HH1 ARG 74 -8.474 -11.034 -16.866 576 2HH2 ARG 74 2HH1 ARG 74 -7.436 -12.193 -17.601 577 H ASN 75 H ASN 75 -6.862 -5.474 -11.866 578 HA ASN 75 HA ASN 75 -9.078 -4.253 -13.178 579 1HB ASN 75 1HB ASN 75 -9.384 -5.882 -11.375 580 2HB ASN 75 2HB ASN 75 -8.567 -4.810 -10.231 581 1HD2 ASN 75 2HD2 ASN 75 -9.866 -3.401 -9.053 582 2HD2 ASN 75 1HD2 ASN 75 -11.536 -3.070 -9.440 583 H TYR 76 H TYR 76 -6.399 -2.875 -11.380 584 HA TYR 76 HA TYR 76 -7.826 -0.259 -11.198 585 1HB TYR 76 1HB TYR 76 -5.572 -1.237 -9.428 586 2HB TYR 76 2HB TYR 76 -6.437 0.282 -9.294 587 HD1 TYR 76 HD1 TYR 76 -6.743 -3.418 -8.923 588 HD2 TYR 76 HD2 TYR 76 -8.508 0.407 -8.026 589 HE1 TYR 76 HE1 TYR 76 -8.228 -4.504 -7.304 590 HE2 TYR 76 HE2 TYR 76 -10.038 -0.677 -6.415 591 HH TYR 76 HH TYR 76 -10.719 -2.667 -5.446 592 H ASP 77 H ASP 77 -6.363 1.631 -11.667 593 HA ASP 77 HA ASP 77 -4.887 0.856 -14.063 594 1HB ASP 77 1HB ASP 77 -6.563 2.703 -14.001 595 2HB ASP 77 2HB ASP 77 -5.439 3.635 -13.000 596 H LEU 78 H LEU 78 -3.899 1.619 -10.836 597 HA LEU 78 HA LEU 78 -1.075 1.771 -11.690 598 1HB LEU 78 1HB LEU 78 -2.080 4.078 -11.711 599 2HB LEU 78 2HB LEU 78 -2.474 3.913 -10.028 600 HG LEU 78 HG LEU 78 -0.545 5.321 -10.417 601 1HD1 LEU 78 1HD1 LEU 78 1.014 4.524 -8.842 602 2HD1 LEU 78 2HD1 LEU 78 -0.568 3.939 -8.313 603 3HD1 LEU 78 3HD1 LEU 78 0.584 2.834 -9.103 604 1HD2 LEU 78 1HD2 LEU 78 0.969 2.932 -11.523 605 2HD2 LEU 78 2HD2 LEU 78 0.206 4.182 -12.525 606 3HD2 LEU 78 3HD2 LEU 78 1.497 4.625 -11.407 607 H ILE 79 H ILE 79 0.139 0.608 -10.217 608 HA ILE 79 HA ILE 79 -1.342 -0.411 -7.826 609 HB ILE 79 HB ILE 79 0.622 -1.914 -9.570 610 1HG1 ILE 79 1HG1 ILE 79 -1.317 -1.520 -10.956 611 2HG1 ILE 79 2HG1 ILE 79 -1.196 -3.209 -10.519 612 1HG2 ILE 79 1HG2 ILE 79 0.543 -2.790 -7.299 613 2HG2 ILE 79 2HG2 ILE 79 -1.227 -2.861 -7.346 614 3HG2 ILE 79 3HG2 ILE 79 -0.261 -3.928 -8.387 615 1HD1 ILE 79 1HD1 ILE 79 -3.529 -2.253 -10.465 616 2HD1 ILE 79 2HD1 ILE 79 -3.028 -3.033 -8.956 617 3HD1 ILE 79 3HD1 ILE 79 -3.058 -1.256 -9.094 618 H LEU 80 H LEU 80 -0.173 -0.476 -5.935 619 HA LEU 80 HA LEU 80 2.600 0.640 -6.027 620 1HB LEU 80 1HB LEU 80 0.318 1.382 -4.153 621 2HB LEU 80 2HB LEU 80 2.002 1.846 -3.903 622 HG LEU 80 HG LEU 80 0.324 2.639 -6.322 623 1HD1 LEU 80 1HD1 LEU 80 -0.394 3.707 -4.163 624 2HD1 LEU 80 2HD1 LEU 80 1.226 4.423 -4.047 625 3HD1 LEU 80 3HD1 LEU 80 0.174 4.839 -5.404 626 1HD2 LEU 80 1HD2 LEU 80 2.654 2.584 -6.972 627 2HD2 LEU 80 2HD2 LEU 80 2.159 4.253 -6.752 628 3HD2 LEU 80 3HD2 LEU 80 3.134 3.451 -5.497 629 H THR 81 H THR 81 4.038 -0.296 -4.649 630 HA THR 81 HA THR 81 3.036 -2.178 -2.651 631 HB THR 81 HB THR 81 3.118 -3.462 -4.777 632 HG1 THR 81 1HG THR 81 3.427 -4.415 -2.774 633 1HG2 THR 81 1HG2 THR 81 6.131 -3.031 -4.655 634 2HG2 THR 81 2HG2 THR 81 5.244 -4.091 -5.774 635 3HG2 THR 81 3HG2 THR 81 5.036 -2.335 -5.874 636 H MET 82 H MET 82 5.129 -3.146 -1.444 637 HA MET 82 HA MET 82 6.414 -0.612 -0.616 638 1HB MET 82 1HB MET 82 6.031 -3.287 0.794 639 2HB MET 82 2HB MET 82 6.631 -1.798 1.512 640 1HG MET 82 1HG MET 82 3.847 -2.303 0.444 641 2HG MET 82 2HG MET 82 4.309 -2.115 2.130 642 1HE MET 82 1HE MET 82 2.018 0.972 0.920 643 2HE MET 82 2HE MET 82 2.009 -0.707 0.338 644 3HE MET 82 3HE MET 82 2.089 -0.376 2.083 645 H GLU 83 H GLU 83 7.282 -3.530 -2.240 646 HA GLU 83 HA GLU 83 10.164 -3.153 -1.544 647 1HB GLU 83 1HB GLU 83 8.435 -5.655 -1.300 648 2HB GLU 83 2HB GLU 83 10.187 -5.695 -1.361 649 1HG GLU 83 1HG GLU 83 10.337 -4.353 0.695 650 2HG GLU 83 2HG GLU 83 8.576 -4.200 0.751 651 H LYS 84 H LYS 84 11.589 -3.863 -3.175 652 HA LYS 84 HA LYS 84 10.537 -3.726 -5.861 653 1HB LYS 84 1HB LYS 84 13.282 -4.396 -4.713 654 2HB LYS 84 2HB LYS 84 12.944 -4.359 -6.450 655 1HG LYS 84 1HG LYS 84 12.231 -2.022 -6.325 656 2HG LYS 84 2HG LYS 84 12.500 -1.992 -4.573 657 1HD LYS 84 1HD LYS 84 14.874 -2.344 -4.842 658 2HD LYS 84 2HD LYS 84 14.717 -2.626 -6.578 659 1HE LYS 84 1HE LYS 84 13.990 0.007 -5.208 660 2HE LYS 84 2HE LYS 84 15.578 -0.335 -5.899 661 1HZ LYS 84 1HZ LYS 84 13.056 -0.302 -7.451 662 2HZ LYS 84 2HZ LYS 84 14.202 0.864 -7.474 663 3HZ LYS 84 3HZ LYS 84 14.543 -0.620 -8.059 664 H ARG 85 H ARG 85 11.525 -6.480 -3.767 665 HA ARG 85 HA ARG 85 11.214 -8.438 -5.833 666 1HB ARG 85 1HB ARG 85 11.153 -10.091 -4.068 667 2HB ARG 85 2HB ARG 85 12.431 -8.916 -3.825 668 1HG ARG 85 1HG ARG 85 10.658 -7.752 -2.209 669 2HG ARG 85 2HG ARG 85 9.875 -9.324 -2.250 670 1HD ARG 85 1HD ARG 85 11.351 -9.172 -0.298 671 2HD ARG 85 2HD ARG 85 11.954 -10.394 -1.417 672 HE ARG 85 HE ARG 85 13.873 -9.192 -1.710 673 1HH1 ARG 85 1HH2 ARG 85 11.580 -7.012 -0.024 674 2HH1 ARG 85 2HH2 ARG 85 12.432 -5.591 -0.603 675 1HH2 ARG 85 1HH1 ARG 85 15.159 -7.239 -1.994 676 2HH2 ARG 85 2HH1 ARG 85 14.538 -5.719 -1.398 677 H HIS 86 H HIS 86 8.769 -6.693 -3.918 678 HA HIS 86 HA HIS 86 6.640 -8.538 -4.683 679 1HB HIS 86 1HB HIS 86 6.455 -5.645 -3.775 680 2HB HIS 86 2HB HIS 86 5.121 -6.760 -3.983 681 HD1 HIS 86 HD1 HIS 86 7.496 -8.861 -2.208 682 HD2 HIS 86 HD2 HIS 86 5.032 -5.581 -1.291 683 HE1 HIS 86 HE1 HIS 86 7.217 -8.847 0.321 684 H ILE 87 H ILE 87 8.007 -5.417 -5.962 685 HA ILE 87 HA ILE 87 6.179 -5.113 -8.098 686 HB ILE 87 HB ILE 87 9.156 -4.438 -8.136 687 1HG1 ILE 87 1HG1 ILE 87 6.818 -2.643 -7.375 688 2HG1 ILE 87 2HG1 ILE 87 7.937 -3.375 -6.226 689 1HG2 ILE 87 1HG2 ILE 87 8.571 -2.805 -9.888 690 2HG2 ILE 87 2HG2 ILE 87 8.136 -4.422 -10.395 691 3HG2 ILE 87 3HG2 ILE 87 6.872 -3.316 -9.819 692 1HD1 ILE 87 1HD1 ILE 87 9.821 -2.145 -7.401 693 2HD1 ILE 87 2HD1 ILE 87 8.558 -1.228 -8.262 694 3HD1 ILE 87 3HD1 ILE 87 8.651 -1.168 -6.497 695 H GLU 88 H GLU 88 9.272 -6.976 -7.924 696 HA GLU 88 HA GLU 88 9.225 -7.874 -10.588 697 1HB GLU 88 1HB GLU 88 11.160 -7.989 -9.044 698 2HB GLU 88 2HB GLU 88 10.362 -9.275 -8.128 699 1HG GLU 88 1HG GLU 88 10.388 -10.736 -10.123 700 2HG GLU 88 2HG GLU 88 11.091 -9.434 -11.086 701 H ARG 89 H ARG 89 7.835 -9.455 -7.637 702 HA ARG 89 HA ARG 89 6.854 -11.751 -9.025 703 1HB ARG 89 1HB ARG 89 5.974 -10.391 -6.450 704 2HB ARG 89 2HB ARG 89 5.208 -11.852 -7.059 705 1HG ARG 89 1HG ARG 89 8.142 -11.555 -6.323 706 2HG ARG 89 2HG ARG 89 6.908 -12.394 -5.379 707 1HD ARG 89 1HD ARG 89 8.132 -13.180 -8.037 708 2HD ARG 89 2HD ARG 89 8.252 -14.033 -6.504 709 HE ARG 89 HE ARG 89 5.685 -14.280 -6.730 710 1HH1 ARG 89 1HH2 ARG 89 7.985 -14.550 -9.422 711 2HH1 ARG 89 2HH2 ARG 89 6.931 -15.488 -10.410 712 1HH2 ARG 89 1HH1 ARG 89 4.276 -15.513 -8.053 713 2HH2 ARG 89 2HH1 ARG 89 4.783 -16.058 -9.605 714 H LEU 90 H LEU 90 5.327 -8.559 -8.392 715 HA LEU 90 HA LEU 90 2.809 -9.362 -9.509 716 1HB LEU 90 1HB LEU 90 4.085 -6.649 -9.027 717 2HB LEU 90 2HB LEU 90 2.436 -6.834 -9.637 718 HG LEU 90 HG LEU 90 3.325 -8.120 -7.025 719 1HD1 LEU 90 1HD1 LEU 90 2.315 -6.239 -5.852 720 2HD1 LEU 90 2HD1 LEU 90 3.654 -5.690 -6.847 721 3HD1 LEU 90 3HD1 LEU 90 1.981 -5.413 -7.394 722 1HD2 LEU 90 1HD2 LEU 90 1.030 -8.314 -6.537 723 2HD2 LEU 90 2HD2 LEU 90 0.546 -7.406 -7.997 724 3HD2 LEU 90 3HD2 LEU 90 1.261 -9.029 -8.116 725 H CYS 91 H CYS 91 5.731 -7.884 -10.987 726 HA CYS 91 HA CYS 91 4.503 -7.461 -13.552 727 1HB CYS 91 1HB CYS 91 7.418 -7.948 -12.785 728 2HB CYS 91 2HB CYS 91 6.852 -7.433 -14.383 729 HG CYS 91 HG CYS 91 6.489 -5.948 -11.453 730 H GLU 92 H GLU 92 6.190 -10.308 -12.080 731 HA GLU 92 HA GLU 92 6.031 -11.897 -14.449 732 1HB GLU 92 1HB GLU 92 6.299 -12.585 -11.497 733 2HB GLU 92 2HB GLU 92 6.265 -13.819 -12.749 734 1HG GLU 92 1HG GLU 92 8.296 -11.547 -12.657 735 2HG GLU 92 2HG GLU 92 8.563 -13.158 -12.006 736 H MET 93 H MET 93 3.758 -11.449 -11.685 737 HA MET 93 HA MET 93 1.894 -13.449 -12.569 738 1HB MET 93 1HB MET 93 1.615 -11.015 -10.758 739 2HB MET 93 2HB MET 93 0.292 -12.137 -11.087 740 1HG MET 93 1HG MET 93 1.573 -14.011 -10.181 741 2HG MET 93 2HG MET 93 2.968 -12.974 -9.918 742 1HE MET 93 1HE MET 93 -0.953 -12.946 -7.449 743 2HE MET 93 2HE MET 93 -0.951 -12.282 -9.096 744 3HE MET 93 3HE MET 93 -0.592 -14.005 -8.824 745 H ALA 94 H ALA 94 2.206 -9.943 -13.277 746 HA ALA 94 HA ALA 94 0.122 -10.233 -15.391 747 1HB ALA 94 1HB ALA 94 -0.919 -8.149 -14.628 748 2HB ALA 94 2HB ALA 94 -0.964 -9.362 -13.332 749 3HB ALA 94 3HB ALA 94 0.221 -8.045 -13.271 750 HA PRO 95 HA PRO 95 3.980 -8.199 -17.059 751 1HB PRO 95 1HB PRO 95 2.693 -9.485 -19.472 752 2HB PRO 95 2HB PRO 95 4.434 -9.284 -19.094 753 1HG PRO 95 1HG PRO 95 3.215 -11.674 -18.685 754 2HG PRO 95 2HG PRO 95 4.354 -11.027 -17.460 755 1HD PRO 95 1HD PRO 95 1.333 -10.966 -17.428 756 2HD PRO 95 2HD PRO 95 2.474 -11.328 -16.101 757 H GLU 96 H GLU 96 0.526 -8.225 -18.049 758 HA GLU 96 HA GLU 96 0.565 -5.902 -19.658 759 1HB GLU 96 1HB GLU 96 -1.845 -5.832 -19.247 760 2HB GLU 96 2HB GLU 96 -1.302 -7.436 -19.692 761 1HG GLU 96 1HG GLU 96 -1.594 -6.792 -16.751 762 2HG GLU 96 2HG GLU 96 -3.045 -6.985 -17.720 763 H MET 97 H MET 97 1.061 -6.121 -16.242 764 HA MET 97 HA MET 97 0.571 -3.195 -15.917 765 1HB MET 97 1HB MET 97 0.540 -5.404 -13.820 766 2HB MET 97 2HB MET 97 0.359 -3.682 -13.493 767 1HG MET 97 1HG MET 97 -1.539 -5.406 -15.108 768 2HG MET 97 2HG MET 97 -1.799 -4.812 -13.485 769 1HE MET 97 1HE MET 97 -1.108 -1.828 -13.365 770 2HE MET 97 2HE MET 97 -2.596 -1.045 -13.940 771 3HE MET 97 3HE MET 97 -2.694 -2.450 -12.867 772 H ARG 98 H ARG 98 3.064 -5.112 -16.746 773 HA ARG 98 HA ARG 98 5.076 -4.581 -14.808 774 1HB ARG 98 1HB ARG 98 5.308 -6.184 -16.670 775 2HB ARG 98 2HB ARG 98 5.282 -4.856 -17.839 776 1HG ARG 98 1HG ARG 98 7.414 -3.988 -16.930 777 2HG ARG 98 2HG ARG 98 7.387 -5.217 -15.658 778 1HD ARG 98 1HD ARG 98 8.911 -5.931 -17.392 779 2HD ARG 98 2HD ARG 98 7.500 -7.004 -17.375 780 HE ARG 98 HE ARG 98 7.242 -4.792 -19.248 781 1HH1 ARG 98 1HH2 ARG 98 8.657 -8.027 -18.882 782 2HH1 ARG 98 2HH2 ARG 98 8.666 -8.371 -20.570 783 1HH2 ARG 98 1HH1 ARG 98 7.241 -5.253 -21.500 784 2HH2 ARG 98 2HH1 ARG 98 7.849 -6.751 -22.090 785 H GLY 99 H GLY 99 6.010 -2.694 -14.200 786 1HA GLY 99 1HA GLY 99 6.839 -0.539 -14.345 787 2HA GLY 99 2HA GLY 99 6.190 -0.378 -15.981 788 H LYS 100 H LYS 100 3.421 -1.326 -14.873 789 HA LYS 100 HA LYS 100 2.498 1.294 -13.867 790 1HB LYS 100 1HB LYS 100 0.926 -1.258 -14.422 791 2HB LYS 100 2HB LYS 100 0.264 0.326 -14.006 792 1HG LYS 100 1HG LYS 100 1.342 1.268 -16.096 793 2HG LYS 100 2HG LYS 100 1.853 -0.369 -16.521 794 1HD LYS 100 1HD LYS 100 -0.102 0.126 -17.783 795 2HD LYS 100 2HD LYS 100 -0.542 -1.082 -16.566 796 1HE LYS 100 1HE LYS 100 -1.525 0.688 -15.145 797 2HE LYS 100 2HE LYS 100 -0.994 1.930 -16.278 798 1HZ LYS 100 1HZ LYS 100 -2.507 1.000 -17.919 799 2HZ LYS 100 2HZ LYS 100 -3.001 -0.163 -16.876 800 3HZ LYS 100 3HZ LYS 100 -3.320 1.418 -16.561 801 H VAL 101 H VAL 101 3.742 -1.625 -12.592 802 HA VAL 101 HA VAL 101 2.584 -1.140 -9.907 803 HB VAL 101 HB VAL 101 4.594 -3.224 -10.870 804 1HG1 VAL 101 1HG1 VAL 101 2.999 -3.046 -8.268 805 2HG1 VAL 101 2HG1 VAL 101 4.104 -4.356 -8.742 806 3HG1 VAL 101 3HG1 VAL 101 4.739 -2.741 -8.442 807 1HG2 VAL 101 1HG2 VAL 101 1.663 -3.769 -10.239 808 2HG2 VAL 101 2HG2 VAL 101 2.299 -3.597 -11.882 809 3HG2 VAL 101 3HG2 VAL 101 2.885 -4.892 -10.854 810 H MET 102 H MET 102 3.813 0.113 -8.429 811 HA MET 102 HA MET 102 6.698 0.535 -9.008 812 1HB MET 102 1HB MET 102 4.584 2.726 -8.912 813 2HB MET 102 2HB MET 102 6.285 3.044 -8.545 814 1HG MET 102 1HG MET 102 6.931 2.041 -10.730 815 2HG MET 102 2HG MET 102 5.225 1.921 -11.156 816 1HE MET 102 1HE MET 102 3.740 4.381 -10.450 817 2HE MET 102 2HE MET 102 4.077 5.505 -11.787 818 3HE MET 102 3HE MET 102 3.812 3.779 -12.122 819 H LEU 103 H LEU 103 7.860 1.570 -7.263 820 HA LEU 103 HA LEU 103 7.158 0.348 -4.769 821 1HB LEU 103 1HB LEU 103 9.523 0.813 -5.824 822 2HB LEU 103 2HB LEU 103 9.320 2.443 -5.218 823 HG LEU 103 HG LEU 103 8.992 1.420 -2.886 824 1HD1 LEU 103 1HD1 LEU 103 8.463 -0.907 -3.543 825 2HD1 LEU 103 2HD1 LEU 103 10.051 -1.062 -4.323 826 3HD1 LEU 103 3HD1 LEU 103 9.937 -0.854 -2.566 827 1HD2 LEU 103 1HD2 LEU 103 11.634 0.990 -4.348 828 2HD2 LEU 103 2HD2 LEU 103 11.083 2.482 -3.548 829 3HD2 LEU 103 3HD2 LEU 103 11.432 1.043 -2.586 830 H PHE 104 H PHE 104 6.210 1.255 -2.960 831 HA PHE 104 HA PHE 104 4.977 3.784 -3.136 832 1HB PHE 104 1HB PHE 104 4.435 1.682 -1.685 833 2HB PHE 104 2HB PHE 104 5.582 2.344 -0.527 834 HD1 PHE 104 HD1 PHE 104 4.219 3.057 1.309 835 HD2 PHE 104 HD2 PHE 104 2.961 3.961 -2.717 836 HE1 PHE 104 HE1 PHE 104 2.278 4.342 2.184 837 HE2 PHE 104 HE2 PHE 104 1.100 5.287 -1.849 838 HZ PHE 104 HZ PHE 104 0.680 5.415 0.591 839 H GLY 105 H GLY 105 8.044 2.776 -1.630 840 1HA GLY 105 1HA GLY 105 8.634 5.486 -0.686 841 2HA GLY 105 2HA GLY 105 9.633 4.044 -0.509 842 H HIS 106 H HIS 106 8.455 4.768 -3.777 843 HA HIS 106 HA HIS 106 11.016 4.820 -4.928 844 1HB HIS 106 1HB HIS 106 8.888 4.458 -6.133 845 2HB HIS 106 2HB HIS 106 8.497 6.165 -5.960 846 HD1 HIS 106 HD1 HIS 106 11.838 6.760 -6.806 847 HD2 HIS 106 HD2 HIS 106 8.673 4.837 -8.817 848 HE1 HIS 106 HE1 HIS 106 12.420 6.817 -9.286 849 H TRP 107 H TRP 107 8.947 7.560 -3.877 850 HA TRP 107 HA TRP 107 10.651 9.632 -4.767 851 1HB TRP 107 1HB TRP 107 8.836 9.773 -2.347 852 2HB TRP 107 2HB TRP 107 9.219 11.053 -3.492 853 HD1 TRP 107 HD1 TRP 107 6.792 8.274 -2.809 854 HE1 TRP 107 HE1 TRP 107 5.048 8.073 -4.642 855 HE3 TRP 107 HE3 TRP 107 8.869 11.458 -6.258 856 HZ2 TRP 107 HZ2 TRP 107 4.557 9.185 -7.274 857 HZ3 TRP 107 HZ3 TRP 107 7.720 11.872 -8.419 858 HH2 TRP 107 HH2 TRP 107 5.544 10.757 -8.917 859 H ASP 108 H ASP 108 10.801 7.595 -1.909 860 HA ASP 108 HA ASP 108 12.680 9.406 -0.485 861 1HB ASP 108 1HB ASP 108 10.767 8.311 0.722 862 2HB ASP 108 2HB ASP 108 11.462 6.732 0.341 863 H ASN 109 H ASN 109 13.722 8.864 -2.793 864 HA ASN 109 HA ASN 109 15.447 7.914 -3.920 865 1HB ASN 109 1HB ASN 109 16.591 9.083 -2.099 866 2HB ASN 109 2HB ASN 109 16.487 7.642 -1.088 867 1HD2 ASN 109 2HD2 ASN 109 18.624 7.251 -0.820 868 2HD2 ASN 109 1HD2 ASN 109 19.745 6.859 -2.108 869 H GLU 110 H GLU 110 13.387 6.218 -3.843 870 HA GLU 110 HA GLU 110 12.671 4.090 -3.912 871 1HB GLU 110 1HB GLU 110 15.481 3.701 -4.989 872 2HB GLU 110 2HB GLU 110 14.165 2.530 -5.149 873 1HG GLU 110 1HG GLU 110 12.803 4.155 -6.380 874 2HG GLU 110 2HG GLU 110 14.078 5.371 -6.239 875 H CYS 111 H CYS 111 13.413 4.751 -1.280 876 HA CYS 111 HA CYS 111 14.803 2.525 -0.075 877 1HB CYS 111 1HB CYS 111 14.474 4.795 0.988 878 2HB CYS 111 2HB CYS 111 12.760 4.389 1.210 879 HG CYS 111 HG CYS 111 13.241 2.161 2.594 880 H GLU 112 H GLU 112 14.013 0.478 0.185 881 HA GLU 112 HA GLU 112 11.212 -0.195 -0.304 882 1HB GLU 112 1HB GLU 112 13.460 -1.832 0.966 883 2HB GLU 112 2HB GLU 112 11.892 -2.431 0.417 884 1HG GLU 112 1HG GLU 112 12.535 -1.615 -1.925 885 2HG GLU 112 2HG GLU 112 14.176 -1.378 -1.302 886 H ILE 113 H ILE 113 9.944 -1.309 1.456 887 HA ILE 113 HA ILE 113 10.412 0.002 4.111 888 HB ILE 113 HB ILE 113 7.816 -0.579 2.673 889 1HG1 ILE 113 1HG1 ILE 113 9.268 2.057 3.092 890 2HG1 ILE 113 2HG1 ILE 113 8.984 1.237 1.561 891 1HG2 ILE 113 1HG2 ILE 113 7.602 -0.715 5.164 892 2HG2 ILE 113 2HG2 ILE 113 8.163 0.960 5.261 893 3HG2 ILE 113 3HG2 ILE 113 6.643 0.567 4.443 894 1HD1 ILE 113 1HD1 ILE 113 6.906 2.603 3.275 895 2HD1 ILE 113 2HD1 ILE 113 7.441 2.995 1.632 896 3HD1 ILE 113 3HD1 ILE 113 6.508 1.517 1.916 897 HA PRO 114 HA PRO 114 10.407 -4.328 5.375 898 1HB PRO 114 1HB PRO 114 10.383 -4.071 8.094 899 2HB PRO 114 2HB PRO 114 11.804 -3.623 7.101 900 1HG PRO 114 1HG PRO 114 9.641 -1.801 8.191 901 2HG PRO 114 2HG PRO 114 11.417 -1.573 8.260 902 1HD PRO 114 1HD PRO 114 9.843 -0.392 6.342 903 2HD PRO 114 2HD PRO 114 11.515 -0.923 6.003 904 H ASP 115 H ASP 115 8.953 -5.906 6.511 905 HA ASP 115 HA ASP 115 6.142 -4.946 6.545 906 1HB ASP 115 1HB ASP 115 6.890 -6.967 5.102 907 2HB ASP 115 2HB ASP 115 6.965 -7.854 6.615 908 HA PRO 116 HA PRO 116 6.695 -5.282 10.968 909 1HB PRO 116 1HB PRO 116 4.228 -4.602 11.873 910 2HB PRO 116 2HB PRO 116 5.320 -3.416 11.106 911 1HG PRO 116 1HG PRO 116 3.044 -4.962 9.832 912 2HG PRO 116 2HG PRO 116 3.381 -3.205 9.716 913 1HD PRO 116 1HD PRO 116 4.167 -5.009 7.800 914 2HD PRO 116 2HD PRO 116 5.156 -3.571 8.189 915 H TYR 117 H TYR 117 4.476 -7.287 9.121 916 HA TYR 117 HA TYR 117 3.086 -8.939 9.623 917 1HB TYR 117 1HB TYR 117 5.197 -9.880 8.888 918 2HB TYR 117 2HB TYR 117 5.755 -10.018 10.549 919 HD1 TYR 117 HD1 TYR 117 5.867 -12.300 11.134 920 HD2 TYR 117 HD2 TYR 117 2.513 -10.912 8.796 921 HE1 TYR 117 HE1 TYR 117 4.842 -14.546 11.277 922 HE2 TYR 117 HE2 TYR 117 1.479 -13.150 8.939 923 HH TYR 117 HH TYR 117 1.675 -15.325 9.760 924 H ARG 118 H ARG 118 5.051 -9.718 12.560 925 HA ARG 118 HA ARG 118 2.725 -8.994 14.246 926 1HB ARG 118 1HB ARG 118 2.659 -11.133 15.363 927 2HB ARG 118 2HB ARG 118 2.382 -11.347 13.639 928 1HG ARG 118 1HG ARG 118 4.804 -12.044 13.389 929 2HG ARG 118 2HG ARG 118 4.969 -11.971 15.143 930 1HD ARG 118 1HD ARG 118 3.010 -13.735 13.610 931 2HD ARG 118 2HD ARG 118 4.542 -14.278 14.283 932 HE ARG 118 HE ARG 118 2.039 -13.762 15.688 933 1HH1 ARG 118 1HH2 ARG 118 5.539 -14.199 16.118 934 2HH1 ARG 118 2HH2 ARG 118 5.426 -14.598 17.791 935 1HH2 ARG 118 1HH1 ARG 118 1.889 -14.289 17.915 936 2HH2 ARG 118 2HH1 ARG 118 3.301 -14.656 18.830 937 H LYS 119 H LYS 119 5.435 -7.885 13.746 938 HA LYS 119 HA LYS 119 7.126 -8.461 16.032 939 1HB LYS 119 1HB LYS 119 7.070 -6.147 14.037 940 2HB LYS 119 2HB LYS 119 8.367 -6.450 15.195 941 1HG LYS 119 1HG LYS 119 8.908 -8.592 14.140 942 2HG LYS 119 2HG LYS 119 7.574 -8.409 12.994 943 1HD LYS 119 1HD LYS 119 8.644 -6.308 12.120 944 2HD LYS 119 2HD LYS 119 9.984 -6.571 13.244 945 1HE LYS 119 1HE LYS 119 10.742 -7.349 11.148 946 2HE LYS 119 2HE LYS 119 10.430 -8.783 12.125 947 1HZ LYS 119 1HZ LYS 119 8.626 -7.698 10.015 948 2HZ LYS 119 2HZ LYS 119 9.586 -9.008 9.873 949 3HZ LYS 119 3HZ LYS 119 8.333 -9.049 10.911 950 H SER 120 H SER 120 7.850 -6.313 17.298 951 HA SER 120 HA SER 120 5.808 -5.765 19.137 952 1HB SER 120 1HB SER 120 8.293 -4.088 18.598 953 2HB SER 120 2HB SER 120 7.424 -4.258 20.135 954 HG SER 120 HG SER 120 9.298 -5.577 20.047 955 H ARG 121 H ARG 121 4.727 -3.760 19.694 956 HA ARG 121 HA ARG 121 3.441 -2.513 17.520 957 1HB ARG 121 1HB ARG 121 2.581 -2.734 19.872 958 2HB ARG 121 2HB ARG 121 3.694 -1.448 20.369 959 1HG ARG 121 1HG ARG 121 2.552 0.126 18.813 960 2HG ARG 121 2HG ARG 121 1.484 -1.186 18.281 961 1HD ARG 121 1HD ARG 121 0.599 -1.405 20.579 962 2HD ARG 121 2HD ARG 121 1.653 -0.102 21.127 963 HE ARG 121 HE ARG 121 -0.820 0.090 19.583 964 1HH1 ARG 121 1HH2 ARG 121 2.090 1.904 20.636 965 2HH1 ARG 121 2HH2 ARG 121 1.312 3.450 20.342 966 1HH2 ARG 121 1HH1 ARG 121 -1.720 2.298 19.191 967 2HH2 ARG 121 2HH1 ARG 121 -0.676 3.632 19.626 968 H GLU 122 H GLU 122 6.397 -1.520 19.258 969 HA GLU 122 HA GLU 122 6.579 1.103 18.213 970 1HB GLU 122 1HB GLU 122 7.947 0.163 20.061 971 2HB GLU 122 2HB GLU 122 8.810 -0.860 18.903 972 1HG GLU 122 1HG GLU 122 9.681 1.146 17.753 973 2HG GLU 122 2HG GLU 122 8.730 2.191 18.814 974 H THR 123 H THR 123 7.395 -2.079 16.751 975 HA THR 123 HA THR 123 8.731 -0.911 14.464 976 HB THR 123 HB THR 123 7.462 -3.670 14.649 977 HG1 THR 123 1HG THR 123 9.422 -4.328 15.577 978 1HG2 THR 123 1HG2 THR 123 9.416 -4.253 13.186 979 2HG2 THR 123 2HG2 THR 123 8.340 -3.065 12.436 980 3HG2 THR 123 3HG2 THR 123 9.879 -2.541 13.154 981 H PHE 124 H PHE 124 5.349 -1.972 15.211 982 HA PHE 124 HA PHE 124 4.314 -1.433 12.590 983 1HB PHE 124 1HB PHE 124 3.070 -1.547 15.348 984 2HB PHE 124 2HB PHE 124 2.164 -0.950 13.974 985 HD1 PHE 124 HD1 PHE 124 3.985 -3.993 15.217 986 HD2 PHE 124 HD2 PHE 124 1.128 -2.362 12.422 987 HE1 PHE 124 HE1 PHE 124 3.266 -6.282 14.602 988 HE2 PHE 124 HE2 PHE 124 0.404 -4.659 11.845 989 HZ PHE 124 HZ PHE 124 1.457 -6.618 12.935 990 H ALA 125 H ALA 125 4.844 0.717 15.453 991 HA ALA 125 HA ALA 125 3.680 3.029 14.238 992 1HB ALA 125 1HB ALA 125 5.855 2.873 16.368 993 2HB ALA 125 2HB ALA 125 4.845 4.278 15.985 994 3HB ALA 125 3HB ALA 125 4.101 2.817 16.666 995 H ALA 126 H ALA 126 7.075 1.806 14.237 996 HA ALA 126 HA ALA 126 8.189 3.953 12.744 997 1HB ALA 126 1HB ALA 126 9.985 2.364 12.197 998 2HB ALA 126 2HB ALA 126 9.542 2.241 13.911 999 3HB ALA 126 3HB ALA 126 8.992 1.005 12.756 1000 H VAL 127 H VAL 127 6.767 0.821 11.610 1001 HA VAL 127 HA VAL 127 7.008 1.391 8.847 1002 HB VAL 127 HB VAL 127 5.140 -0.412 10.427 1003 1HG1 VAL 127 1HG1 VAL 127 5.409 -0.235 7.390 1004 2HG1 VAL 127 2HG1 VAL 127 4.557 -1.508 8.292 1005 3HG1 VAL 127 3HG1 VAL 127 3.950 0.136 8.339 1006 1HG2 VAL 127 1HG2 VAL 127 7.586 -0.997 10.343 1007 2HG2 VAL 127 2HG2 VAL 127 6.588 -2.185 9.502 1008 3HG2 VAL 127 3HG2 VAL 127 7.500 -0.985 8.571 1009 H TYR 128 H TYR 128 4.246 2.153 11.120 1010 HA TYR 128 HA TYR 128 2.592 3.286 9.154 1011 1HB TYR 128 1HB TYR 128 1.959 2.811 11.531 1012 2HB TYR 128 2HB TYR 128 2.863 4.232 12.037 1013 HD1 TYR 128 HD1 TYR 128 -0.336 3.016 11.004 1014 HD2 TYR 128 HD2 TYR 128 2.165 6.535 10.879 1015 HE1 TYR 128 HE1 TYR 128 -2.312 4.415 10.484 1016 HE2 TYR 128 HE2 TYR 128 0.235 7.910 10.271 1017 HH TYR 128 HH TYR 128 -2.089 7.952 9.933 1018 H THR 129 H THR 129 5.250 4.828 11.059 1019 HA THR 129 HA THR 129 4.853 7.442 10.016 1020 HB THR 129 HB THR 129 7.442 6.151 10.989 1021 HG1 THR 129 1HG THR 129 5.867 5.872 12.548 1022 1HG2 THR 129 1HG2 THR 129 6.505 9.058 10.989 1023 2HG2 THR 129 2HG2 THR 129 7.995 8.448 11.749 1024 3HG2 THR 129 3HG2 THR 129 7.807 8.375 9.992 1025 H LEU 130 H LEU 130 6.925 4.727 8.849 1026 HA LEU 130 HA LEU 130 8.063 6.220 6.689 1027 1HB LEU 130 1HB LEU 130 9.065 4.259 7.761 1028 2HB LEU 130 2HB LEU 130 7.766 3.228 7.171 1029 HG LEU 130 HG LEU 130 8.531 3.351 4.926 1030 1HD1 LEU 130 1HD1 LEU 130 10.527 4.698 4.232 1031 2HD1 LEU 130 2HD1 LEU 130 9.161 5.716 4.671 1032 3HD1 LEU 130 3HD1 LEU 130 10.513 5.500 5.817 1033 1HD2 LEU 130 1HD2 LEU 130 10.760 2.399 5.123 1034 2HD2 LEU 130 2HD2 LEU 130 11.010 3.194 6.691 1035 3HD2 LEU 130 3HD2 LEU 130 9.812 1.906 6.541 1036 H LEU 131 H LEU 131 5.151 4.153 6.928 1037 HA LEU 131 HA LEU 131 4.451 4.318 4.131 1038 1HB LEU 131 1HB LEU 131 2.776 3.810 6.629 1039 2HB LEU 131 2HB LEU 131 2.127 3.774 4.997 1040 HG LEU 131 HG LEU 131 4.277 1.890 6.054 1041 1HD1 LEU 131 1HD1 LEU 131 1.339 1.423 5.384 1042 2HD1 LEU 131 2HD1 LEU 131 2.504 0.195 5.918 1043 3HD1 LEU 131 3HD1 LEU 131 2.039 1.496 7.021 1044 1HD2 LEU 131 1HD2 LEU 131 3.867 0.620 3.961 1045 2HD2 LEU 131 2HD2 LEU 131 2.877 1.964 3.357 1046 3HD2 LEU 131 3HD2 LEU 131 4.609 2.188 3.670 1047 H GLU 132 H GLU 132 3.679 6.374 7.003 1048 HA GLU 132 HA GLU 132 1.848 8.071 5.650 1049 1HB GLU 132 1HB GLU 132 2.042 7.998 8.084 1050 2HB GLU 132 2HB GLU 132 3.689 8.637 8.009 1051 1HG GLU 132 1HG GLU 132 2.845 10.751 7.043 1052 2HG GLU 132 2HG GLU 132 1.204 10.106 7.034 1053 H ARG 133 H ARG 133 5.432 8.390 6.095 1054 HA ARG 133 HA ARG 133 5.726 10.750 4.536 1055 1HB ARG 133 1HB ARG 133 7.590 8.348 4.869 1056 2HB ARG 133 2HB ARG 133 8.029 9.825 4.000 1057 1HG ARG 133 1HG ARG 133 7.646 11.166 6.037 1058 2HG ARG 133 2HG ARG 133 7.178 9.702 6.910 1059 1HD ARG 133 1HD ARG 133 9.474 10.296 7.451 1060 2HD ARG 133 2HD ARG 133 9.430 8.757 6.600 1061 HE ARG 133 HE ARG 133 10.287 11.406 5.506 1062 1HH1 ARG 133 1HH2 ARG 133 10.390 7.860 5.224 1063 2HH1 ARG 133 2HH2 ARG 133 11.604 7.856 3.981 1064 1HH2 ARG 133 1HH1 ARG 133 11.921 11.382 3.889 1065 2HH2 ARG 133 2HH1 ARG 133 12.472 9.879 3.214 1066 H SER 134 H SER 134 5.827 7.335 3.491 1067 HA SER 134 HA SER 134 6.327 7.875 0.760 1068 1HB SER 134 1HB SER 134 4.883 5.509 2.017 1069 2HB SER 134 2HB SER 134 5.616 5.553 0.403 1070 HG SER 134 HG SER 134 6.866 5.654 2.950 1071 H ALA 135 H ALA 135 3.189 7.425 2.468 1072 HA ALA 135 HA ALA 135 1.529 7.766 0.194 1073 1HB ALA 135 1HB ALA 135 0.958 8.442 3.119 1074 2HB ALA 135 2HB ALA 135 -0.249 8.199 1.837 1075 3HB ALA 135 3HB ALA 135 0.754 6.840 2.387 1076 H ARG 136 H ARG 136 2.912 10.161 2.529 1077 HA ARG 136 HA ARG 136 1.464 12.401 1.496 1078 1HB ARG 136 1HB ARG 136 2.726 12.190 3.699 1079 2HB ARG 136 2HB ARG 136 4.228 12.400 2.801 1080 1HG ARG 136 1HG ARG 136 3.472 14.644 2.054 1081 2HG ARG 136 2HG ARG 136 1.919 14.397 2.877 1082 1HD ARG 136 1HD ARG 136 3.211 14.083 5.045 1083 2HD ARG 136 2HD ARG 136 4.675 14.520 4.171 1084 HE ARG 136 HE ARG 136 3.988 16.732 4.015 1085 1HH1 ARG 136 1HH2 ARG 136 1.383 14.818 5.531 1086 2HH1 ARG 136 2HH2 ARG 136 0.653 16.190 6.288 1087 1HH2 ARG 136 1HH1 ARG 136 2.937 18.544 4.941 1088 2HH2 ARG 136 2HH1 ARG 136 1.511 18.350 5.885 1089 H GLN 137 H GLN 137 4.688 11.021 0.669 1090 HA GLN 137 HA GLN 137 5.353 12.990 -1.272 1091 1HB GLN 137 1HB GLN 137 6.195 10.081 -1.010 1092 2HB GLN 137 2HB GLN 137 6.937 11.246 -2.103 1093 1HG GLN 137 1HG GLN 137 6.840 11.790 0.886 1094 2HG GLN 137 2HG GLN 137 8.050 10.721 0.190 1095 1HE2 GLN 137 2HE2 GLN 137 9.475 12.377 1.253 1096 2HE2 GLN 137 1HE2 GLN 137 9.916 13.780 0.313 1097 H TRP 138 H TRP 138 3.751 9.740 -1.648 1098 HA TRP 138 HA TRP 138 3.322 9.993 -4.421 1099 1HB TRP 138 1HB TRP 138 2.235 8.262 -2.254 1100 2HB TRP 138 2HB TRP 138 1.151 8.518 -3.608 1101 HD1 TRP 138 HD1 TRP 138 4.120 6.474 -2.674 1102 HE1 TRP 138 HE1 TRP 138 5.026 5.181 -4.711 1103 HE3 TRP 138 HE3 TRP 138 1.386 8.735 -6.352 1104 HZ2 TRP 138 HZ2 TRP 138 4.791 5.322 -7.595 1105 HZ3 TRP 138 HZ3 TRP 138 1.743 8.148 -8.737 1106 HH2 TRP 138 HH2 TRP 138 3.462 6.470 -9.368 1107 H ALA 139 H ALA 139 1.189 11.093 -1.707 1108 HA ALA 139 HA ALA 139 -0.861 12.114 -3.371 1109 1HB ALA 139 1HB ALA 139 -1.432 13.501 -1.404 1110 2HB ALA 139 2HB ALA 139 -1.126 11.806 -0.955 1111 3HB ALA 139 3HB ALA 139 0.099 13.057 -0.631 1112 H GLN 140 H GLN 140 2.115 13.718 -2.109 1113 HA GLN 140 HA GLN 140 1.621 16.275 -3.165 1114 1HB GLN 140 1HB GLN 140 3.337 15.826 -1.501 1115 2HB GLN 140 2HB GLN 140 4.213 14.777 -2.610 1116 1HG GLN 140 1HG GLN 140 5.359 16.873 -2.393 1117 2HG GLN 140 2HG GLN 140 4.783 16.695 -4.041 1118 1HE2 GLN 140 2HE2 GLN 140 2.856 17.999 -4.712 1119 2HE2 GLN 140 1HE2 GLN 140 2.539 19.508 -3.874 1120 H ALA 141 H ALA 141 3.029 13.366 -4.749 1121 HA ALA 141 HA ALA 141 3.682 14.764 -7.192 1122 1HB ALA 141 1HB ALA 141 3.965 12.509 -8.108 1123 2HB ALA 141 2HB ALA 141 4.790 12.668 -6.540 1124 3HB ALA 141 3HB ALA 141 3.246 11.791 -6.652 1125 H LEU 142 H LEU 142 0.999 12.548 -6.249 1126 HA LEU 142 HA LEU 142 -0.488 12.653 -8.622 1127 1HB LEU 142 1HB LEU 142 -1.385 12.408 -5.724 1128 2HB LEU 142 2HB LEU 142 -2.493 12.211 -7.070 1129 HG LEU 142 HG LEU 142 -0.004 10.496 -6.735 1130 1HD1 LEU 142 1HD1 LEU 142 -1.497 10.172 -4.801 1131 2HD1 LEU 142 2HD1 LEU 142 -2.869 9.890 -5.894 1132 3HD1 LEU 142 3HD1 LEU 142 -1.507 8.748 -5.850 1133 1HD2 LEU 142 1HD2 LEU 142 -1.133 8.955 -8.259 1134 2HD2 LEU 142 2HD2 LEU 142 -2.493 10.084 -8.432 1135 3HD2 LEU 142 3HD2 LEU 142 -0.876 10.520 -9.032 1136 H ASN 143 H ASN 143 -0.491 14.985 -5.929 1137 HA ASN 143 HA ASN 143 -2.644 16.587 -6.923 1138 1HB ASN 143 1HB ASN 143 -1.790 16.464 -4.542 1139 2HB ASN 143 2HB ASN 143 -0.362 17.362 -5.059 1140 1HD2 ASN 143 2HD2 ASN 143 -0.591 19.479 -4.299 1141 2HD2 ASN 143 1HD2 ASN 143 -2.065 20.401 -4.376 1142 H ALA 144 H ALA 144 0.441 16.219 -8.303 1143 HA ALA 144 HA ALA 144 0.271 18.797 -9.697 1144 1HB ALA 144 1HB ALA 144 2.734 17.893 -8.123 1145 2HB ALA 144 2HB ALA 144 2.612 19.357 -9.126 1146 3HB ALA 144 3HB ALA 144 1.645 19.218 -7.649 1147 H GLU 145 H GLU 145 -0.258 16.150 -10.590 1148 HA GLU 145 HA GLU 145 1.701 15.993 -12.777 1149 1HB GLU 145 1HB GLU 145 2.237 14.333 -10.928 1150 2HB GLU 145 2HB GLU 145 0.705 13.518 -11.285 1151 1HG GLU 145 1HG GLU 145 1.500 12.996 -13.531 1152 2HG GLU 145 2HG GLU 145 2.879 14.079 -13.336 1153 H GLN 146 H GLN 146 -0.875 17.201 -12.466 1154 HA GLN 146 HA GLN 146 -2.797 15.776 -14.075 1155 1HB GLN 146 1HB GLN 146 -2.396 18.702 -13.272 1156 2HB GLN 146 2HB GLN 146 -3.678 18.198 -14.372 1157 1HG GLN 146 1HG GLN 146 -4.548 18.424 -12.097 1158 2HG GLN 146 2HG GLN 146 -4.688 16.775 -12.690 1159 1HE2 GLN 146 2HE2 GLN 146 -4.539 15.495 -10.845 1160 2HE2 GLN 146 1HE2 GLN 146 -3.171 15.539 -9.746 1161 H VAL 147 H VAL 147 -3.261 16.130 -16.242 1162 HA VAL 147 HA VAL 147 -1.197 17.199 -18.035 1163 HB VAL 147 HB VAL 147 -1.283 14.899 -19.200 1164 1HG1 VAL 147 1HG1 VAL 147 0.592 14.020 -17.929 1165 2HG1 VAL 147 2HG1 VAL 147 0.721 15.783 -18.016 1166 3HG1 VAL 147 3HG1 VAL 147 0.164 15.004 -16.519 1167 1HG2 VAL 147 1HG2 VAL 147 -2.098 13.918 -16.409 1168 2HG2 VAL 147 2HG2 VAL 147 -3.126 13.870 -17.861 1169 3HG2 VAL 147 3HG2 VAL 147 -1.641 12.915 -17.800 Start of MODEL 14 1 H MET 1 H MET 1 -4.056 11.036 -15.854 2 HA MET 1 HA MET 1 -3.141 10.649 -13.672 3 1HB MET 1 1HB MET 1 -4.906 12.404 -14.073 4 2HB MET 1 2HB MET 1 -6.128 11.277 -13.489 5 1HG MET 1 1HG MET 1 -3.694 12.098 -11.852 6 2HG MET 1 2HG MET 1 -5.182 13.032 -11.872 7 1HE MET 1 1HE MET 1 -5.000 12.865 -9.169 8 2HE MET 1 2HE MET 1 -4.972 11.311 -8.303 9 3HE MET 1 3HE MET 1 -3.598 11.786 -9.342 10 H PHE 2 H PHE 2 -2.871 9.226 -11.988 11 HA PHE 2 HA PHE 2 -3.966 6.582 -12.271 12 1HB PHE 2 1HB PHE 2 -2.247 7.610 -9.995 13 2HB PHE 2 2HB PHE 2 -2.349 5.982 -10.627 14 HD1 PHE 2 HD1 PHE 2 -0.531 9.038 -10.633 15 HD2 PHE 2 HD2 PHE 2 -1.521 5.689 -13.168 16 HE1 PHE 2 HE1 PHE 2 1.373 9.589 -12.073 17 HE2 PHE 2 HE2 PHE 2 0.424 6.230 -14.616 18 HZ PHE 2 HZ PHE 2 1.880 8.178 -14.081 19 H ASN 3 H ASN 3 -6.250 7.958 -11.810 20 HA ASN 3 HA ASN 3 -6.763 8.691 -9.145 21 1HB ASN 3 1HB ASN 3 -8.086 9.487 -11.086 22 2HB ASN 3 2HB ASN 3 -8.815 7.883 -11.236 23 1HD2 ASN 3 2HD2 ASN 3 -8.342 10.559 -8.815 24 2HD2 ASN 3 1HD2 ASN 3 -9.838 10.262 -7.956 25 H ASN 4 H ASN 4 -6.746 5.481 -10.477 26 HA ASN 4 HA ASN 4 -8.039 4.426 -8.011 27 1HB ASN 4 1HB ASN 4 -9.000 2.606 -9.372 28 2HB ASN 4 2HB ASN 4 -9.656 4.184 -9.757 29 1HD2 ASN 4 2HD2 ASN 4 -9.101 5.170 -11.856 30 2HD2 ASN 4 1HD2 ASN 4 -8.440 4.178 -13.129 31 H ILE 5 H ILE 5 -6.767 3.167 -6.870 32 HA ILE 5 HA ILE 5 -4.284 2.032 -8.103 33 HB ILE 5 HB ILE 5 -4.686 3.635 -5.551 34 1HG1 ILE 5 1HG1 ILE 5 -3.264 4.385 -8.137 35 2HG1 ILE 5 2HG1 ILE 5 -4.765 5.064 -7.515 36 1HG2 ILE 5 1HG2 ILE 5 -2.906 1.949 -5.160 37 2HG2 ILE 5 2HG2 ILE 5 -2.015 2.591 -6.559 38 3HG2 ILE 5 3HG2 ILE 5 -2.299 3.575 -5.098 39 1HD1 ILE 5 1HD1 ILE 5 -3.100 6.647 -7.107 40 2HD1 ILE 5 2HD1 ILE 5 -3.574 5.935 -5.551 41 3HD1 ILE 5 3HD1 ILE 5 -2.029 5.470 -6.329 42 H LEU 6 H LEU 6 -3.467 0.139 -7.097 43 HA LEU 6 HA LEU 6 -5.148 -1.055 -4.914 44 1HB LEU 6 1HB LEU 6 -5.582 -2.181 -7.034 45 2HB LEU 6 2HB LEU 6 -3.860 -2.441 -7.295 46 HG LEU 6 HG LEU 6 -3.767 -3.952 -5.350 47 1HD1 LEU 6 1HD1 LEU 6 -5.930 -4.712 -4.292 48 2HD1 LEU 6 2HD1 LEU 6 -5.464 -3.070 -3.868 49 3HD1 LEU 6 3HD1 LEU 6 -6.745 -3.339 -5.075 50 1HD2 LEU 6 1HD2 LEU 6 -6.058 -4.631 -7.243 51 2HD2 LEU 6 2HD2 LEU 6 -4.332 -4.844 -7.593 52 3HD2 LEU 6 3HD2 LEU 6 -5.091 -5.785 -6.298 53 H VAL 7 H VAL 7 -3.951 -1.175 -3.099 54 HA VAL 7 HA VAL 7 -1.022 -1.114 -3.264 55 HB VAL 7 HB VAL 7 -2.884 -1.115 -0.858 56 1HG1 VAL 7 1HG1 VAL 7 -0.887 -0.321 0.370 57 2HG1 VAL 7 2HG1 VAL 7 -0.635 -1.948 -0.249 58 3HG1 VAL 7 3HG1 VAL 7 0.118 -0.566 -1.073 59 1HG2 VAL 7 1HG2 VAL 7 -3.085 0.939 -2.261 60 2HG2 VAL 7 2HG2 VAL 7 -2.347 1.282 -0.694 61 3HG2 VAL 7 3HG2 VAL 7 -1.334 1.185 -2.154 62 H VAL 8 H VAL 8 0.306 -2.855 -2.644 63 HA VAL 8 HA VAL 8 -1.033 -5.432 -2.016 64 HB VAL 8 HB VAL 8 1.245 -5.237 -3.995 65 1HG1 VAL 8 1HG1 VAL 8 0.686 -7.431 -2.991 66 2HG1 VAL 8 2HG1 VAL 8 -0.994 -7.268 -3.564 67 3HG1 VAL 8 3HG1 VAL 8 0.347 -7.409 -4.717 68 1HG2 VAL 8 1HG2 VAL 8 -0.385 -3.840 -5.077 69 2HG2 VAL 8 2HG2 VAL 8 -0.414 -5.424 -5.848 70 3HG2 VAL 8 3HG2 VAL 8 -1.696 -4.972 -4.694 71 H CYS 9 H CYS 9 -0.042 -6.475 -0.328 72 HA CYS 9 HA CYS 9 2.891 -6.071 0.089 73 1HB CYS 9 1HB CYS 9 0.838 -6.049 2.347 74 2HB CYS 9 2HB CYS 9 2.589 -5.836 2.488 75 HG CYS 9 HG CYS 9 0.218 -3.937 1.335 76 H VAL 10 H VAL 10 3.504 -7.734 2.038 77 HA VAL 10 HA VAL 10 2.259 -10.366 1.328 78 HB VAL 10 HB VAL 10 4.688 -10.302 1.032 79 1HG1 VAL 10 1HG1 VAL 10 5.377 -8.597 2.643 80 2HG1 VAL 10 2HG1 VAL 10 4.896 -9.639 4.001 81 3HG1 VAL 10 3HG1 VAL 10 6.238 -10.106 2.939 82 1HG2 VAL 10 1HG2 VAL 10 5.255 -12.279 2.309 83 2HG2 VAL 10 2HG2 VAL 10 3.923 -11.990 3.442 84 3HG2 VAL 10 3HG2 VAL 10 3.585 -12.393 1.740 85 H GLY 11 H GLY 11 1.343 -11.540 3.192 86 1HA GLY 11 1HA GLY 11 0.341 -11.706 5.268 87 2HA GLY 11 2HA GLY 11 1.182 -10.243 5.800 88 H ASN 12 H ASN 12 0.332 -8.377 3.927 89 HA ASN 12 HA ASN 12 -1.288 -7.107 3.041 90 1HB ASN 12 1HB ASN 12 -2.188 -9.215 2.117 91 2HB ASN 12 2HB ASN 12 -3.220 -9.392 3.531 92 1HD2 ASN 12 2HD2 ASN 12 -3.454 -6.086 3.064 93 2HD2 ASN 12 1HD2 ASN 12 -4.724 -6.126 1.852 94 H ILE 13 H ILE 13 -2.414 -8.746 6.000 95 HA ILE 13 HA ILE 13 -4.483 -7.069 6.673 96 HB ILE 13 HB ILE 13 -4.237 -8.041 8.954 97 1HG1 ILE 13 1HG1 ILE 13 -1.708 -9.392 7.895 98 2HG1 ILE 13 2HG1 ILE 13 -1.705 -8.027 9.003 99 1HG2 ILE 13 1HG2 ILE 13 -4.668 -10.333 8.271 100 2HG2 ILE 13 2HG2 ILE 13 -5.370 -9.232 7.095 101 3HG2 ILE 13 3HG2 ILE 13 -3.855 -10.077 6.716 102 1HD1 ILE 13 1HD1 ILE 13 -3.022 -9.407 10.648 103 2HD1 ILE 13 2HD1 ILE 13 -2.837 -10.799 9.557 104 3HD1 ILE 13 3HD1 ILE 13 -1.408 -10.046 10.278 105 H CYS 14 H CYS 14 -1.378 -5.795 6.608 106 HA CYS 14 HA CYS 14 -1.991 -3.871 8.811 107 1HB CYS 14 1HB CYS 14 0.488 -4.000 9.372 108 2HB CYS 14 2HB CYS 14 -0.505 -5.386 9.835 109 HG CYS 14 HG CYS 14 1.785 -6.303 9.077 110 H ARG 15 H ARG 15 0.610 -4.307 6.280 111 HA ARG 15 HA ARG 15 0.887 -1.455 6.138 112 1HB ARG 15 1HB ARG 15 1.944 -3.748 4.445 113 2HB ARG 15 2HB ARG 15 2.258 -2.056 4.029 114 1HG ARG 15 1HG ARG 15 3.225 -1.695 6.301 115 2HG ARG 15 2HG ARG 15 3.029 -3.416 6.645 116 1HD ARG 15 1HD ARG 15 4.690 -2.249 4.362 117 2HD ARG 15 2HD ARG 15 5.338 -2.765 5.924 118 HE ARG 15 HE ARG 15 4.018 -5.013 5.040 119 1HH1 ARG 15 1HH2 ARG 15 6.923 -3.241 4.084 120 2HH1 ARG 15 2HH2 ARG 15 7.443 -4.491 3.013 121 1HH2 ARG 15 1HH1 ARG 15 4.997 -6.673 3.950 122 2HH2 ARG 15 2HH1 ARG 15 6.371 -6.381 2.876 123 H SER 16 H SER 16 -0.765 -3.774 3.878 124 HA SER 16 HA SER 16 -1.324 -1.880 1.962 125 1HB SER 16 1HB SER 16 -3.284 -4.078 2.584 126 2HB SER 16 2HB SER 16 -2.867 -3.356 1.022 127 HG SER 16 HG SER 16 -1.835 -5.293 1.116 128 HA PRO 17 HA PRO 17 -5.478 -0.612 3.894 129 1HB PRO 17 1HB PRO 17 -5.973 -0.966 6.587 130 2HB PRO 17 2HB PRO 17 -6.473 -2.081 5.290 131 1HG PRO 17 1HG PRO 17 -4.022 -2.258 7.061 132 2HG PRO 17 2HG PRO 17 -5.182 -3.559 6.672 133 1HD PRO 17 1HD PRO 17 -2.852 -3.360 5.339 134 2HD PRO 17 2HD PRO 17 -4.351 -3.777 4.469 135 H THR 18 H THR 18 -2.523 -0.452 5.935 136 HA THR 18 HA THR 18 -3.152 2.084 7.147 137 HB THR 18 HB THR 18 -0.477 0.723 6.593 138 HG1 THR 18 1HG THR 18 -1.540 -0.551 7.944 139 1HG2 THR 18 1HG2 THR 18 -1.180 3.026 8.463 140 2HG2 THR 18 2HG2 THR 18 0.353 2.119 8.492 141 3HG2 THR 18 3HG2 THR 18 -0.073 3.083 7.074 142 H ALA 19 H ALA 19 -1.209 1.154 4.225 143 HA ALA 19 HA ALA 19 -0.660 3.846 3.424 144 1HB ALA 19 1HB ALA 19 -0.786 1.219 1.899 145 2HB ALA 19 2HB ALA 19 -0.221 2.742 1.185 146 3HB ALA 19 3HB ALA 19 0.657 2.019 2.560 147 H GLU 20 H GLU 20 -3.248 1.522 2.459 148 HA GLU 20 HA GLU 20 -4.479 3.047 0.459 149 1HB GLU 20 1HB GLU 20 -5.030 0.687 0.995 150 2HB GLU 20 2HB GLU 20 -5.693 1.196 2.548 151 1HG GLU 20 1HG GLU 20 -7.293 2.695 0.990 152 2HG GLU 20 2HG GLU 20 -6.837 1.492 -0.208 153 H ARG 21 H ARG 21 -5.329 2.957 3.988 154 HA ARG 21 HA ARG 21 -7.333 4.971 3.621 155 1HB ARG 21 1HB ARG 21 -5.937 3.845 6.083 156 2HB ARG 21 2HB ARG 21 -7.283 4.972 6.148 157 1HG ARG 21 1HG ARG 21 -7.449 2.248 4.775 158 2HG ARG 21 2HG ARG 21 -7.920 2.577 6.430 159 1HD ARG 21 1HD ARG 21 -9.364 4.522 5.124 160 2HD ARG 21 2HD ARG 21 -9.358 3.256 3.907 161 HE ARG 21 HE ARG 21 -10.513 3.206 6.636 162 1HH1 ARG 21 1HH2 ARG 21 -9.826 1.184 3.728 163 2HH1 ARG 21 2HH2 ARG 21 -10.846 -0.090 4.285 164 1HH2 ARG 21 2HH1 ARG 21 -11.597 1.451 7.399 165 2HH2 ARG 21 1HH1 ARG 21 -11.961 0.086 6.384 166 H LEU 22 H LEU 22 -3.875 5.205 4.603 167 HA LEU 22 HA LEU 22 -4.065 7.988 5.310 168 1HB LEU 22 1HB LEU 22 -1.770 6.220 4.396 169 2HB LEU 22 2HB LEU 22 -1.543 7.937 4.717 170 HG LEU 22 HG LEU 22 -2.730 6.060 6.803 171 1HD1 LEU 22 1HD1 LEU 22 -0.425 5.331 6.155 172 2HD1 LEU 22 2HD1 LEU 22 0.165 6.951 6.562 173 3HD1 LEU 22 3HD1 LEU 22 -0.530 5.919 7.822 174 1HD2 LEU 22 1HD2 LEU 22 -3.181 8.457 7.208 175 2HD2 LEU 22 2HD2 LEU 22 -1.997 7.854 8.364 176 3HD2 LEU 22 3HD2 LEU 22 -1.463 8.835 6.993 177 H LEU 23 H LEU 23 -3.485 6.321 2.169 178 HA LEU 23 HA LEU 23 -3.098 8.726 0.660 179 1HB LEU 23 1HB LEU 23 -4.111 5.953 -0.053 180 2HB LEU 23 2HB LEU 23 -3.996 7.235 -1.243 181 HG LEU 23 HG LEU 23 -1.571 6.463 0.398 182 1HD1 LEU 23 1HD1 LEU 23 -0.909 4.927 -1.416 183 2HD1 LEU 23 2HD1 LEU 23 -2.384 4.389 -0.638 184 3HD1 LEU 23 3HD1 LEU 23 -2.460 5.190 -2.230 185 1HD2 LEU 23 1HD2 LEU 23 -0.382 7.353 -1.574 186 2HD2 LEU 23 2HD2 LEU 23 -1.925 7.717 -2.365 187 3HD2 LEU 23 3HD2 LEU 23 -1.452 8.576 -0.882 188 H GLN 24 H GLN 24 -6.095 6.943 1.609 189 HA GLN 24 HA GLN 24 -7.881 8.621 0.135 190 1HB GLN 24 1HB GLN 24 -8.339 7.050 2.719 191 2HB GLN 24 2HB GLN 24 -9.593 7.877 1.820 192 1HG GLN 24 1HG GLN 24 -7.958 5.505 0.846 193 2HG GLN 24 2HG GLN 24 -9.652 5.511 1.316 194 1HE2 GLN 24 2HE2 GLN 24 -10.979 7.335 -0.005 195 2HE2 GLN 24 1HE2 GLN 24 -10.560 7.455 -1.720 196 H ARG 25 H ARG 25 -6.638 8.845 3.527 197 HA ARG 25 HA ARG 25 -8.086 11.158 4.226 198 1HB ARG 25 1HB ARG 25 -7.054 9.860 5.929 199 2HB ARG 25 2HB ARG 25 -5.447 10.014 5.216 200 1HG ARG 25 1HG ARG 25 -5.226 12.289 5.845 201 2HG ARG 25 2HG ARG 25 -6.946 12.463 6.219 202 1HD ARG 25 1HD ARG 25 -5.121 10.568 7.750 203 2HD ARG 25 2HD ARG 25 -5.326 12.274 8.191 204 HE ARG 25 HE ARG 25 -7.904 11.291 7.944 205 1HH1 ARG 25 1HH2 ARG 25 -5.129 10.579 10.046 206 2HH1 ARG 25 2HH2 ARG 25 -6.096 10.091 11.397 207 1HH2 ARG 25 1HH1 ARG 25 -9.183 10.663 9.713 208 2HH2 ARG 25 2HH1 ARG 25 -8.466 10.020 11.145 209 H TYR 26 H TYR 26 -4.724 10.948 2.876 210 HA TYR 26 HA TYR 26 -4.540 13.816 2.857 211 1HB TYR 26 1HB TYR 26 -2.765 11.714 1.581 212 2HB TYR 26 2HB TYR 26 -2.370 13.426 1.716 213 HD1 TYR 26 HD1 TYR 26 -1.368 10.512 3.052 214 HD2 TYR 26 HD2 TYR 26 -3.059 14.246 4.404 215 HE1 TYR 26 HE1 TYR 26 -0.441 10.118 5.316 216 HE2 TYR 26 HE2 TYR 26 -2.189 13.833 6.668 217 HH TYR 26 HH TYR 26 -1.067 12.360 8.060 218 H HIS 27 H HIS 27 -5.905 11.620 0.489 219 HA HIS 27 HA HIS 27 -6.341 13.960 -1.265 220 1HB HIS 27 1HB HIS 27 -4.265 12.732 -1.960 221 2HB HIS 27 2HB HIS 27 -5.240 11.303 -2.249 222 HD1 HIS 27 HD1 HIS 27 -6.796 14.591 -3.490 223 HD2 HIS 27 HD2 HIS 27 -4.154 11.573 -4.747 224 HE1 HIS 27 HE1 HIS 27 -6.627 14.800 -6.011 225 HA PRO 28 HA PRO 28 -10.114 11.484 -0.191 226 1HB PRO 28 1HB PRO 28 -11.308 14.192 -0.804 227 2HB PRO 28 2HB PRO 28 -11.775 13.015 0.464 228 1HG PRO 28 1HG PRO 28 -10.256 15.159 1.106 229 2HG PRO 28 2HG PRO 28 -9.837 13.543 1.766 230 1HD PRO 28 1HD PRO 28 -8.597 14.993 -0.584 231 2HD PRO 28 2HD PRO 28 -7.805 14.096 0.745 232 H GLU 29 H GLU 29 -9.419 13.423 -3.086 233 HA GLU 29 HA GLU 29 -11.697 12.562 -4.632 234 1HB GLU 29 1HB GLU 29 -8.968 13.546 -5.569 235 2HB GLU 29 2HB GLU 29 -10.442 13.508 -6.528 236 1HG GLU 29 1HG GLU 29 -9.912 15.257 -4.093 237 2HG GLU 29 2HG GLU 29 -9.921 15.768 -5.772 238 H LEU 30 H LEU 30 -8.976 10.822 -3.564 239 HA LEU 30 HA LEU 30 -8.467 9.353 -6.047 240 1HB LEU 30 1HB LEU 30 -6.751 10.338 -4.423 241 2HB LEU 30 2HB LEU 30 -7.266 9.105 -3.264 242 HG LEU 30 HG LEU 30 -6.495 7.352 -4.929 243 1HD1 LEU 30 1HD1 LEU 30 -4.965 8.122 -6.727 244 2HD1 LEU 30 2HD1 LEU 30 -6.595 8.746 -6.973 245 3HD1 LEU 30 3HD1 LEU 30 -5.345 9.817 -6.333 246 1HD2 LEU 30 1HD2 LEU 30 -4.105 7.743 -4.366 247 2HD2 LEU 30 2HD2 LEU 30 -4.481 9.420 -3.929 248 3HD2 LEU 30 3HD2 LEU 30 -5.165 8.088 -2.994 249 H LYS 31 H LYS 31 -8.597 7.057 -6.192 250 HA LYS 31 HA LYS 31 -10.179 5.674 -4.057 251 1HB LYS 31 1HB LYS 31 -11.397 5.657 -6.168 252 2HB LYS 31 2HB LYS 31 -9.939 5.204 -7.053 253 1HG LYS 31 1HG LYS 31 -11.440 3.297 -6.847 254 2HG LYS 31 2HG LYS 31 -9.914 2.989 -6.034 255 1HD LYS 31 1HD LYS 31 -11.043 3.531 -3.828 256 2HD LYS 31 2HD LYS 31 -12.571 3.707 -4.713 257 1HE LYS 31 1HE LYS 31 -12.375 1.357 -5.500 258 2HE LYS 31 2HE LYS 31 -10.818 1.199 -4.681 259 1HZ LYS 31 1HZ LYS 31 -13.427 1.624 -3.349 260 2HZ LYS 31 2HZ LYS 31 -12.548 0.240 -3.351 261 3HZ LYS 31 3HZ LYS 31 -11.986 1.565 -2.568 262 H VAL 32 H VAL 32 -8.977 4.298 -2.914 263 HA VAL 32 HA VAL 32 -6.820 2.815 -4.269 264 HB VAL 32 HB VAL 32 -6.556 3.909 -1.437 265 1HG1 VAL 32 1HG1 VAL 32 -5.251 1.875 -1.885 266 2HG1 VAL 32 2HG1 VAL 32 -4.590 2.592 -3.364 267 3HG1 VAL 32 3HG1 VAL 32 -4.166 3.261 -1.781 268 1HG2 VAL 32 1HG2 VAL 32 -4.796 5.430 -2.375 269 2HG2 VAL 32 2HG2 VAL 32 -5.349 5.036 -4.006 270 3HG2 VAL 32 3HG2 VAL 32 -6.420 5.871 -2.872 271 H GLU 33 H GLU 33 -6.758 0.645 -3.619 272 HA GLU 33 HA GLU 33 -8.408 -0.143 -1.294 273 1HB GLU 33 1HB GLU 33 -9.511 -0.408 -3.744 274 2HB GLU 33 2HB GLU 33 -8.589 -1.917 -3.709 275 1HG GLU 33 1HG GLU 33 -9.737 -2.571 -1.626 276 2HG GLU 33 2HG GLU 33 -10.493 -0.984 -1.506 277 H SER 34 H SER 34 -7.831 -2.666 -0.898 278 HA SER 34 HA SER 34 -4.860 -2.853 -1.134 279 1HB SER 34 1HB SER 34 -5.122 -3.695 1.298 280 2HB SER 34 2HB SER 34 -5.226 -1.956 0.976 281 HG SER 34 HG SER 34 -7.353 -1.960 1.293 282 H ALA 35 H ALA 35 -3.891 -4.847 -1.163 283 HA ALA 35 HA ALA 35 -5.380 -7.325 -0.720 284 1HB ALA 35 1HB ALA 35 -4.213 -6.650 -3.471 285 2HB ALA 35 2HB ALA 35 -4.894 -8.219 -2.983 286 3HB ALA 35 3HB ALA 35 -5.947 -6.812 -3.096 287 H GLY 36 H GLY 36 -3.598 -9.187 -1.414 288 1HA GLY 36 1HA GLY 36 -0.848 -8.166 -1.237 289 2HA GLY 36 2HA GLY 36 -1.380 -9.193 0.088 290 H LEU 37 H LEU 37 0.818 -9.703 -1.551 291 HA LEU 37 HA LEU 37 0.209 -11.648 -3.636 292 1HB LEU 37 1HB LEU 37 2.710 -10.884 -2.068 293 2HB LEU 37 2HB LEU 37 2.711 -12.220 -3.210 294 HG LEU 37 HG LEU 37 1.907 -9.397 -4.016 295 1HD1 LEU 37 1HD1 LEU 37 4.637 -10.734 -4.222 296 2HD1 LEU 37 2HD1 LEU 37 4.181 -9.169 -4.938 297 3HD1 LEU 37 3HD1 LEU 37 4.213 -9.360 -3.178 298 1HD2 LEU 37 1HD2 LEU 37 2.774 -11.844 -5.626 299 2HD2 LEU 37 2HD2 LEU 37 1.140 -11.155 -5.571 300 3HD2 LEU 37 3HD2 LEU 37 2.454 -10.238 -6.299 301 H GLY 38 H GLY 38 1.519 -11.869 -0.309 302 1HA GLY 38 1HA GLY 38 0.494 -14.675 -0.084 303 2HA GLY 38 2HA GLY 38 1.832 -13.980 0.852 304 H ALA 39 H ALA 39 -1.534 -13.027 -0.006 305 HA ALA 39 HA ALA 39 -1.950 -11.553 2.423 306 1HB ALA 39 1HB ALA 39 -3.963 -12.688 0.438 307 2HB ALA 39 2HB ALA 39 -4.264 -11.377 1.585 308 3HB ALA 39 3HB ALA 39 -3.133 -11.120 0.257 309 H LEU 40 H LEU 40 -3.800 -12.001 3.887 310 HA LEU 40 HA LEU 40 -3.945 -14.888 4.688 311 1HB LEU 40 1HB LEU 40 -3.757 -12.316 6.297 312 2HB LEU 40 2HB LEU 40 -4.083 -13.894 7.011 313 HG LEU 40 HG LEU 40 -1.533 -13.188 5.488 314 1HD1 LEU 40 1HD1 LEU 40 -1.717 -11.907 7.568 315 2HD1 LEU 40 2HD1 LEU 40 -2.028 -13.397 8.487 316 3HD1 LEU 40 3HD1 LEU 40 -0.453 -13.137 7.699 317 1HD2 LEU 40 1HD2 LEU 40 -2.256 -15.633 7.164 318 2HD2 LEU 40 2HD2 LEU 40 -1.974 -15.599 5.408 319 3HD2 LEU 40 3HD2 LEU 40 -0.642 -15.269 6.515 320 H VAL 41 H VAL 41 -5.785 -14.678 3.064 321 HA VAL 41 HA VAL 41 -7.839 -12.863 3.274 322 HB VAL 41 HB VAL 41 -8.165 -15.762 2.399 323 1HG1 VAL 41 1HG1 VAL 41 -9.797 -14.823 0.796 324 2HG1 VAL 41 2HG1 VAL 41 -10.284 -14.478 2.456 325 3HG1 VAL 41 3HG1 VAL 41 -9.544 -13.199 1.468 326 1HG2 VAL 41 1HG2 VAL 41 -7.528 -14.858 0.110 327 2HG2 VAL 41 2HG2 VAL 41 -6.942 -13.393 0.941 328 3HG2 VAL 41 3HG2 VAL 41 -6.196 -14.975 1.252 329 H GLY 42 H GLY 42 -9.510 -12.469 4.577 330 1HA GLY 42 1HA GLY 42 -11.419 -13.063 5.783 331 2HA GLY 42 2HA GLY 42 -10.753 -14.662 6.101 332 H LYS 43 H LYS 43 -8.193 -12.682 6.938 333 HA LYS 43 HA LYS 43 -8.824 -13.216 9.727 334 1HB LYS 43 1HB LYS 43 -6.361 -12.307 8.224 335 2HB LYS 43 2HB LYS 43 -6.400 -12.216 9.972 336 1HG LYS 43 1HG LYS 43 -5.348 -14.302 9.055 337 2HG LYS 43 2HG LYS 43 -6.610 -14.553 10.265 338 1HD LYS 43 1HD LYS 43 -8.210 -15.233 8.629 339 2HD LYS 43 2HD LYS 43 -7.184 -14.667 7.307 340 1HE LYS 43 1HE LYS 43 -5.551 -16.430 7.747 341 2HE LYS 43 2HE LYS 43 -6.535 -17.034 9.090 342 1HZ LYS 43 1HZ LYS 43 -8.255 -17.613 7.567 343 2HZ LYS 43 2HZ LYS 43 -7.567 -16.826 6.313 344 3HZ LYS 43 3HZ LYS 43 -6.882 -18.196 6.914 345 H GLY 44 H GLY 44 -9.457 -10.373 7.897 346 1HA GLY 44 1HA GLY 44 -10.082 -8.285 8.613 347 2HA GLY 44 2HA GLY 44 -9.862 -8.782 10.292 348 H ALA 45 H ALA 45 -8.980 -6.330 9.737 349 HA ALA 45 HA ALA 45 -6.202 -6.195 8.947 350 1HB ALA 45 1HB ALA 45 -7.582 -4.206 8.788 351 2HB ALA 45 2HB ALA 45 -7.954 -4.254 10.514 352 3HB ALA 45 3HB ALA 45 -6.297 -3.918 9.968 353 H ASP 46 H ASP 46 -4.399 -5.807 10.307 354 HA ASP 46 HA ASP 46 -4.196 -7.637 12.457 355 1HB ASP 46 1HB ASP 46 -2.340 -7.092 11.004 356 2HB ASP 46 2HB ASP 46 -2.376 -5.404 11.504 357 HA PRO 47 HA PRO 47 -5.801 -5.146 15.810 358 1HB PRO 47 1HB PRO 47 -3.770 -6.659 17.462 359 2HB PRO 47 2HB PRO 47 -5.490 -6.314 17.829 360 1HG PRO 47 1HG PRO 47 -4.755 -8.745 16.883 361 2HG PRO 47 2HG PRO 47 -6.227 -7.941 16.243 362 1HD PRO 47 1HD PRO 47 -3.479 -8.105 14.996 363 2HD PRO 47 2HD PRO 47 -5.093 -8.272 14.238 364 H THR 48 H THR 48 -2.210 -5.322 15.414 365 HA THR 48 HA THR 48 -1.868 -3.026 17.236 366 HB THR 48 HB THR 48 0.185 -4.521 15.575 367 HG1 THR 48 1HG THR 48 -0.684 -4.900 18.262 368 1HG2 THR 48 1HG2 THR 48 1.010 -2.343 16.373 369 2HG2 THR 48 2HG2 THR 48 0.478 -2.733 18.024 370 3HG2 THR 48 3HG2 THR 48 1.788 -3.664 17.259 371 H ALA 49 H ALA 49 -1.883 -3.796 13.709 372 HA ALA 49 HA ALA 49 -1.121 -1.183 12.823 373 1HB ALA 49 1HB ALA 49 -2.253 -1.787 10.734 374 2HB ALA 49 2HB ALA 49 -1.289 -3.157 11.320 375 3HB ALA 49 3HB ALA 49 -3.055 -3.156 11.527 376 H ILE 50 H ILE 50 -4.344 -2.616 13.609 377 HA ILE 50 HA ILE 50 -5.885 -0.265 13.215 378 HB ILE 50 HB ILE 50 -6.236 -2.584 15.132 379 1HG1 ILE 50 1HG1 ILE 50 -7.764 -2.024 12.546 380 2HG1 ILE 50 2HG1 ILE 50 -6.327 -3.033 12.592 381 1HG2 ILE 50 1HG2 ILE 50 -7.538 -0.674 16.001 382 2HG2 ILE 50 2HG2 ILE 50 -8.278 -0.433 14.405 383 3HG2 ILE 50 3HG2 ILE 50 -8.622 -1.887 15.367 384 1HD1 ILE 50 1HD1 ILE 50 -8.255 -4.483 12.686 385 2HD1 ILE 50 2HD1 ILE 50 -7.454 -4.538 14.259 386 3HD1 ILE 50 3HD1 ILE 50 -8.950 -3.598 14.038 387 H SER 51 H SER 51 -4.179 -1.451 16.207 388 HA SER 51 HA SER 51 -5.100 0.633 17.857 389 1HB SER 51 1HB SER 51 -2.476 -0.907 18.043 390 2HB SER 51 2HB SER 51 -3.224 0.039 19.340 391 HG SER 51 HG SER 51 -4.273 -2.291 18.064 392 H VAL 52 H VAL 52 -2.004 0.504 15.959 393 HA VAL 52 HA VAL 52 -1.152 3.109 16.754 394 HB VAL 52 HB VAL 52 -0.511 1.437 14.287 395 1HG1 VAL 52 1HG1 VAL 52 1.511 2.857 14.043 396 2HG1 VAL 52 2HG1 VAL 52 0.040 3.807 13.816 397 3HG1 VAL 52 3HG1 VAL 52 0.928 3.918 15.345 398 1HG2 VAL 52 1HG2 VAL 52 0.197 0.455 16.512 399 2HG2 VAL 52 2HG2 VAL 52 1.569 0.911 15.502 400 3HG2 VAL 52 3HG2 VAL 52 1.086 1.952 16.840 401 H ALA 53 H ALA 53 -3.272 2.016 14.001 402 HA ALA 53 HA ALA 53 -3.420 4.663 12.880 403 1HB ALA 53 1HB ALA 53 -3.885 2.584 11.621 404 2HB ALA 53 2HB ALA 53 -5.348 2.330 12.607 405 3HB ALA 53 3HB ALA 53 -5.221 3.746 11.534 406 H ALA 54 H ALA 54 -5.356 2.979 15.392 407 HA ALA 54 HA ALA 54 -7.436 4.945 15.521 408 1HB ALA 54 1HB ALA 54 -7.957 3.880 17.684 409 2HB ALA 54 2HB ALA 54 -7.674 2.655 16.430 410 3HB ALA 54 3HB ALA 54 -6.418 2.998 17.643 411 H GLU 55 H GLU 55 -4.216 4.652 17.108 412 HA GLU 55 HA GLU 55 -4.526 6.983 18.738 413 1HB GLU 55 1HB GLU 55 -2.120 5.470 17.686 414 2HB GLU 55 2HB GLU 55 -1.959 6.919 18.689 415 1HG GLU 55 1HG GLU 55 -3.141 5.920 20.523 416 2HG GLU 55 2HG GLU 55 -3.674 4.555 19.544 417 H HIS 56 H HIS 56 -4.300 6.732 15.317 418 HA HIS 56 HA HIS 56 -3.900 9.681 15.111 419 1HB HIS 56 1HB HIS 56 -3.436 7.532 13.010 420 2HB HIS 56 2HB HIS 56 -3.258 9.270 12.763 421 HD1 HIS 56 HD1 HIS 56 -1.260 10.417 14.530 422 HD2 HIS 56 HD2 HIS 56 -1.267 6.297 13.686 423 HE1 HIS 56 HE1 HIS 56 1.057 9.563 15.141 424 H GLN 57 H GLN 57 -6.278 7.705 15.636 425 HA GLN 57 HA GLN 57 -8.433 7.413 15.064 426 1HB GLN 57 1HB GLN 57 -8.257 10.425 14.611 427 2HB GLN 57 2HB GLN 57 -9.728 9.491 14.873 428 1HG GLN 57 1HG GLN 57 -9.298 10.432 16.959 429 2HG GLN 57 2HG GLN 57 -8.771 8.765 17.122 430 1HE2 GLN 57 2HE2 GLN 57 -6.685 8.449 17.916 431 2HE2 GLN 57 1HE2 GLN 57 -5.450 9.694 18.008 432 H LEU 58 H LEU 58 -7.186 6.303 13.076 433 HA LEU 58 HA LEU 58 -8.969 7.052 10.810 434 1HB LEU 58 1HB LEU 58 -6.284 7.435 10.619 435 2HB LEU 58 2HB LEU 58 -6.352 5.736 10.170 436 HG LEU 58 HG LEU 58 -7.754 8.097 8.856 437 1HD1 LEU 58 1HD1 LEU 58 -6.393 7.517 6.919 438 2HD1 LEU 58 2HD1 LEU 58 -5.366 7.778 8.334 439 3HD1 LEU 58 3HD1 LEU 58 -5.700 6.123 7.786 440 1HD2 LEU 58 1HD2 LEU 58 -8.176 5.156 8.238 441 2HD2 LEU 58 2HD2 LEU 58 -9.400 6.370 8.687 442 3HD2 LEU 58 3HD2 LEU 58 -8.603 6.500 7.138 443 H SER 59 H SER 59 -10.377 5.434 10.473 444 HA SER 59 HA SER 59 -10.140 3.049 12.029 445 1HB SER 59 1HB SER 59 -12.290 3.864 10.033 446 2HB SER 59 2HB SER 59 -12.451 2.696 11.355 447 HG SER 59 HG SER 59 -12.213 4.384 12.826 448 H LEU 60 H LEU 60 -8.519 1.664 11.163 449 HA LEU 60 HA LEU 60 -8.761 0.658 8.386 450 1HB LEU 60 1HB LEU 60 -7.118 -0.542 10.644 451 2HB LEU 60 2HB LEU 60 -6.934 -0.790 8.918 452 HG LEU 60 HG LEU 60 -6.195 1.645 10.543 453 1HD1 LEU 60 1HD1 LEU 60 -4.636 -0.265 10.616 454 2HD1 LEU 60 2HD1 LEU 60 -4.548 -0.281 8.842 455 3HD1 LEU 60 3HD1 LEU 60 -3.911 1.097 9.753 456 1HD2 LEU 60 1HD2 LEU 60 -6.131 1.369 7.523 457 2HD2 LEU 60 2HD2 LEU 60 -7.037 2.561 8.494 458 3HD2 LEU 60 3HD2 LEU 60 -5.277 2.629 8.441 459 H GLU 61 H GLU 61 -10.522 0.217 11.189 460 HA GLU 61 HA GLU 61 -10.380 -2.431 11.909 461 1HB GLU 61 1HB GLU 61 -12.773 -0.557 11.970 462 2HB GLU 61 2HB GLU 61 -12.695 -2.107 12.820 463 1HG GLU 61 1HG GLU 61 -10.699 -1.331 14.072 464 2HG GLU 61 2HG GLU 61 -10.801 0.240 13.272 465 H GLY 62 H GLY 62 -12.353 -1.247 9.117 466 1HA GLY 62 1HA GLY 62 -13.700 -3.835 8.961 467 2HA GLY 62 2HA GLY 62 -14.025 -2.383 8.018 468 H HIS 63 H HIS 63 -10.676 -2.835 7.815 469 HA HIS 63 HA HIS 63 -10.811 -3.806 5.079 470 1HB HIS 63 1HB HIS 63 -8.958 -2.413 5.569 471 2HB HIS 63 2HB HIS 63 -8.577 -3.274 7.054 472 HD1 HIS 63 HD1 HIS 63 -7.978 -3.599 3.251 473 HD2 HIS 63 HD2 HIS 63 -7.198 -5.584 6.889 474 HE1 HIS 63 HE1 HIS 63 -6.440 -5.507 2.711 475 H CYS 64 H CYS 64 -10.275 -5.849 4.304 476 HA CYS 64 HA CYS 64 -9.471 -7.918 6.212 477 1HB CYS 64 1HB CYS 64 -12.030 -8.030 5.904 478 2HB CYS 64 2HB CYS 64 -11.699 -8.503 4.221 479 HG CYS 64 HG CYS 64 -12.259 -10.606 5.690 480 H ALA 65 H ALA 65 -8.091 -9.402 5.251 481 HA ALA 65 HA ALA 65 -6.650 -8.367 3.004 482 1HB ALA 65 1HB ALA 65 -5.453 -9.413 4.776 483 2HB ALA 65 2HB ALA 65 -6.439 -10.889 4.660 484 3HB ALA 65 3HB ALA 65 -5.290 -10.486 3.374 485 H ARG 66 H ARG 66 -6.052 -9.523 1.056 486 HA ARG 66 HA ARG 66 -8.004 -11.503 -0.009 487 1HB ARG 66 1HB ARG 66 -7.513 -8.772 -1.288 488 2HB ARG 66 2HB ARG 66 -8.414 -10.106 -2.014 489 1HG ARG 66 1HG ARG 66 -10.052 -9.986 -0.111 490 2HG ARG 66 2HG ARG 66 -9.196 -8.549 0.481 491 1HD ARG 66 1HD ARG 66 -10.528 -8.816 -2.241 492 2HD ARG 66 2HD ARG 66 -11.189 -7.958 -0.835 493 HE ARG 66 HE ARG 66 -8.592 -6.935 -1.362 494 1HH1 ARG 66 1HH2 ARG 66 -11.899 -6.781 -2.757 495 2HH1 ARG 66 2HH2 ARG 66 -11.595 -5.178 -3.401 496 1HH2 ARG 66 1HH1 ARG 66 -8.302 -4.942 -2.360 497 2HH2 ARG 66 2HH1 ARG 66 -9.643 -4.220 -3.269 498 H GLN 67 H GLN 67 -6.858 -12.912 -1.293 499 HA GLN 67 HA GLN 67 -4.039 -12.401 -1.857 500 1HB GLN 67 1HB GLN 67 -5.192 -14.640 -1.179 501 2HB GLN 67 2HB GLN 67 -5.704 -14.747 -2.859 502 1HG GLN 67 1HG GLN 67 -2.810 -14.448 -1.902 503 2HG GLN 67 2HG GLN 67 -3.584 -15.997 -2.200 504 1HE2 GLN 67 2HE2 GLN 67 -1.402 -14.018 -3.591 505 2HE2 GLN 67 1HE2 GLN 67 -1.830 -14.188 -5.289 506 H ILE 68 H ILE 68 -3.368 -11.231 -3.412 507 HA ILE 68 HA ILE 68 -5.155 -10.063 -5.249 508 HB ILE 68 HB ILE 68 -3.066 -9.033 -4.405 509 1HG1 ILE 68 1HG1 ILE 68 -3.189 -9.070 -7.449 510 2HG1 ILE 68 2HG1 ILE 68 -4.394 -8.267 -6.431 511 1HG2 ILE 68 1HG2 ILE 68 -1.552 -10.626 -6.510 512 2HG2 ILE 68 2HG2 ILE 68 -0.898 -9.517 -5.290 513 3HG2 ILE 68 3HG2 ILE 68 -1.580 -11.073 -4.799 514 1HD1 ILE 68 1HD1 ILE 68 -2.750 -6.658 -7.221 515 2HD1 ILE 68 2HD1 ILE 68 -2.659 -6.841 -5.459 516 3HD1 ILE 68 3HD1 ILE 68 -1.433 -7.598 -6.510 517 H SER 69 H SER 69 -5.259 -10.225 -7.528 518 HA SER 69 HA SER 69 -4.373 -12.735 -8.773 519 1HB SER 69 1HB SER 69 -6.582 -13.210 -7.722 520 2HB SER 69 2HB SER 69 -7.280 -11.816 -8.546 521 HG SER 69 HG SER 69 -6.181 -14.135 -9.801 522 H ARG 70 H ARG 70 -4.498 -12.508 -11.127 523 HA ARG 70 HA ARG 70 -3.681 -9.967 -12.092 524 1HB ARG 70 1HB ARG 70 -3.187 -12.260 -12.996 525 2HB ARG 70 2HB ARG 70 -4.816 -12.323 -13.669 526 1HG ARG 70 1HG ARG 70 -4.300 -10.508 -15.222 527 2HG ARG 70 2HG ARG 70 -2.746 -10.200 -14.408 528 1HD ARG 70 1HD ARG 70 -2.021 -12.520 -14.934 529 2HD ARG 70 2HD ARG 70 -3.534 -12.803 -15.790 530 HE ARG 70 HE ARG 70 -2.766 -10.835 -17.295 531 1HH1 ARG 70 1HH2 ARG 70 -0.336 -12.968 -15.807 532 2HH1 ARG 70 2HH2 ARG 70 0.415 -13.361 -17.317 533 1HH2 ARG 70 1HH1 ARG 70 -1.658 -11.083 -19.127 534 2HH2 ARG 70 2HH1 ARG 70 -0.257 -12.124 -19.277 535 H ARG 71 H ARG 71 -6.893 -11.495 -11.933 536 HA ARG 71 HA ARG 71 -8.384 -9.622 -13.461 537 1HB ARG 71 1HB ARG 71 -9.123 -11.151 -10.926 538 2HB ARG 71 2HB ARG 71 -10.281 -10.350 -11.981 539 1HG ARG 71 1HG ARG 71 -9.907 -11.865 -13.779 540 2HG ARG 71 2HG ARG 71 -8.441 -12.533 -13.061 541 1HD ARG 71 1HD ARG 71 -11.216 -12.813 -11.853 542 2HD ARG 71 2HD ARG 71 -10.414 -14.039 -12.852 543 HE ARG 71 HE ARG 71 -8.568 -13.514 -10.861 544 1HH1 ARG 71 1HH2 ARG 71 -11.938 -14.652 -10.848 545 2HH1 ARG 71 2HH2 ARG 71 -11.779 -15.495 -9.352 546 1HH2 ARG 71 1HH1 ARG 71 -8.358 -14.573 -8.943 547 2HH2 ARG 71 2HH1 ARG 71 -9.664 -15.469 -8.226 548 H LEU 72 H LEU 72 -7.531 -9.573 -9.947 549 HA LEU 72 HA LEU 72 -8.814 -7.060 -9.420 550 1HB LEU 72 1HB LEU 72 -6.725 -8.722 -7.983 551 2HB LEU 72 2HB LEU 72 -6.848 -7.005 -7.616 552 HG LEU 72 HG LEU 72 -9.247 -7.230 -7.164 553 1HD1 LEU 72 1HD1 LEU 72 -8.732 -10.237 -7.344 554 2HD1 LEU 72 2HD1 LEU 72 -10.203 -9.484 -6.698 555 3HD1 LEU 72 3HD1 LEU 72 -9.799 -9.286 -8.403 556 1HD2 LEU 72 1HD2 LEU 72 -7.444 -9.020 -5.465 557 2HD2 LEU 72 2HD2 LEU 72 -7.580 -7.251 -5.339 558 3HD2 LEU 72 3HD2 LEU 72 -8.966 -8.270 -4.935 559 H CYS 73 H CYS 73 -5.458 -7.933 -10.426 560 HA CYS 73 HA CYS 73 -4.484 -5.315 -10.184 561 1HB CYS 73 1HB CYS 73 -3.639 -7.395 -12.277 562 2HB CYS 73 2HB CYS 73 -2.700 -5.985 -11.772 563 HG CYS 73 HG CYS 73 -3.709 -8.547 -9.898 564 H ARG 74 H ARG 74 -5.965 -6.911 -13.092 565 HA ARG 74 HA ARG 74 -5.775 -4.686 -14.830 566 1HB ARG 74 1HB ARG 74 -7.805 -6.950 -14.640 567 2HB ARG 74 2HB ARG 74 -7.802 -5.778 -15.951 568 1HG ARG 74 1HG ARG 74 -5.622 -6.498 -16.731 569 2HG ARG 74 2HG ARG 74 -5.427 -7.594 -15.346 570 1HD ARG 74 1HD ARG 74 -7.424 -8.854 -16.034 571 2HD ARG 74 2HD ARG 74 -7.666 -7.767 -17.414 572 HE ARG 74 HE ARG 74 -5.199 -8.632 -17.977 573 1HH1 ARG 74 1HH2 ARG 74 -8.182 -10.402 -17.142 574 2HH1 ARG 74 2HH2 ARG 74 -7.724 -11.838 -17.975 575 1HH2 ARG 74 1HH1 ARG 74 -4.555 -10.560 -18.969 576 2HH2 ARG 74 2HH1 ARG 74 -5.635 -11.921 -19.093 577 H ASN 75 H ASN 75 -8.073 -5.279 -12.181 578 HA ASN 75 HA ASN 75 -10.047 -3.425 -13.031 579 1HB ASN 75 1HB ASN 75 -10.381 -5.150 -11.255 580 2HB ASN 75 2HB ASN 75 -9.364 -4.196 -10.171 581 1HD2 ASN 75 2HD2 ASN 75 -10.325 -2.490 -9.017 582 2HD2 ASN 75 1HD2 ASN 75 -11.975 -1.979 -9.272 583 H TYR 76 H TYR 76 -6.843 -2.805 -11.704 584 HA TYR 76 HA TYR 76 -7.637 0.025 -11.173 585 1HB TYR 76 1HB TYR 76 -5.551 -1.656 -9.770 586 2HB TYR 76 2HB TYR 76 -5.774 0.076 -9.537 587 HD1 TYR 76 HD1 TYR 76 -7.779 0.981 -8.440 588 HD2 TYR 76 HD2 TYR 76 -7.211 -3.240 -8.904 589 HE1 TYR 76 HE1 TYR 76 -9.596 0.579 -6.810 590 HE2 TYR 76 HE2 TYR 76 -8.987 -3.691 -7.237 591 HH TYR 76 HH TYR 76 -10.624 -2.694 -5.805 592 H ASP 77 H ASP 77 -5.636 1.552 -11.329 593 HA ASP 77 HA ASP 77 -4.369 0.954 -13.966 594 1HB ASP 77 1HB ASP 77 -6.085 2.710 -13.896 595 2HB ASP 77 2HB ASP 77 -5.147 3.586 -12.680 596 H LEU 78 H LEU 78 -3.505 1.381 -10.690 597 HA LEU 78 HA LEU 78 -0.671 1.464 -11.448 598 1HB LEU 78 1HB LEU 78 -1.643 3.847 -10.889 599 2HB LEU 78 2HB LEU 78 -1.695 3.275 -9.234 600 HG LEU 78 HG LEU 78 0.248 4.647 -9.640 601 1HD1 LEU 78 1HD1 LEU 78 0.480 2.689 -8.068 602 2HD1 LEU 78 2HD1 LEU 78 1.298 1.815 -9.389 603 3HD1 LEU 78 3HD1 LEU 78 1.995 3.302 -8.743 604 1HD2 LEU 78 1HD2 LEU 78 0.476 4.227 -12.073 605 2HD2 LEU 78 2HD2 LEU 78 2.007 4.135 -11.195 606 3HD2 LEU 78 3HD2 LEU 78 1.199 2.649 -11.724 607 H ILE 79 H ILE 79 0.297 -0.139 -10.279 608 HA ILE 79 HA ILE 79 -1.222 -1.321 -7.993 609 HB ILE 79 HB ILE 79 0.952 -2.618 -9.672 610 1HG1 ILE 79 1HG1 ILE 79 -0.910 -2.324 -11.183 611 2HG1 ILE 79 2HG1 ILE 79 -0.767 -4.010 -10.732 612 1HG2 ILE 79 1HG2 ILE 79 -0.997 -3.726 -7.610 613 2HG2 ILE 79 2HG2 ILE 79 0.124 -4.701 -8.585 614 3HG2 ILE 79 3HG2 ILE 79 0.751 -3.523 -7.418 615 1HD1 ILE 79 1HD1 ILE 79 -2.684 -3.782 -9.170 616 2HD1 ILE 79 2HD1 ILE 79 -2.823 -2.056 -9.593 617 3HD1 ILE 79 3HD1 ILE 79 -3.110 -3.299 -10.814 618 H LEU 80 H LEU 80 -0.236 -1.041 -6.031 619 HA LEU 80 HA LEU 80 2.411 0.350 -6.065 620 1HB LEU 80 1HB LEU 80 0.247 1.674 -5.831 621 2HB LEU 80 2HB LEU 80 -0.014 0.871 -4.291 622 HG LEU 80 HG LEU 80 1.915 1.986 -3.321 623 1HD1 LEU 80 1HD1 LEU 80 2.487 2.931 -6.165 624 2HD1 LEU 80 2HD1 LEU 80 3.191 3.688 -4.733 625 3HD1 LEU 80 3HD1 LEU 80 3.554 2.004 -5.079 626 1HD2 LEU 80 1HD2 LEU 80 1.156 4.372 -3.666 627 2HD2 LEU 80 2HD2 LEU 80 0.228 3.857 -5.067 628 3HD2 LEU 80 3HD2 LEU 80 -0.198 3.256 -3.448 629 H THR 81 H THR 81 3.935 -0.461 -4.646 630 HA THR 81 HA THR 81 3.053 -2.181 -2.420 631 HB THR 81 HB THR 81 3.151 -3.645 -4.435 632 HG1 THR 81 1HG THR 81 3.530 -4.481 -2.442 633 1HG2 THR 81 1HG2 THR 81 6.141 -3.048 -4.443 634 2HG2 THR 81 2HG2 THR 81 5.285 -4.241 -5.442 635 3HG2 THR 81 3HG2 THR 81 4.983 -2.512 -5.681 636 H MET 82 H MET 82 5.262 -2.943 -1.221 637 HA MET 82 HA MET 82 6.708 -0.350 -0.907 638 1HB MET 82 1HB MET 82 5.868 -2.470 1.112 639 2HB MET 82 2HB MET 82 6.915 -1.099 1.453 640 1HG MET 82 1HG MET 82 4.804 -0.493 2.223 641 2HG MET 82 2HG MET 82 5.092 0.460 0.770 642 1HE MET 82 1HE MET 82 2.473 -0.062 2.502 643 2HE MET 82 2HE MET 82 2.298 1.007 1.089 644 3HE MET 82 3HE MET 82 1.174 -0.349 1.335 645 H GLU 83 H GLU 83 7.252 -3.508 -2.022 646 HA GLU 83 HA GLU 83 10.136 -3.294 -1.296 647 1HB GLU 83 1HB GLU 83 8.302 -5.708 -0.979 648 2HB GLU 83 2HB GLU 83 10.061 -5.754 -0.920 649 1HG GLU 83 1HG GLU 83 10.075 -4.232 1.017 650 2HG GLU 83 2HG GLU 83 8.303 -4.185 0.996 651 H LYS 84 H LYS 84 11.569 -4.076 -2.812 652 HA LYS 84 HA LYS 84 10.579 -3.885 -5.475 653 1HB LYS 84 1HB LYS 84 13.333 -4.589 -4.375 654 2HB LYS 84 2HB LYS 84 13.000 -4.248 -6.082 655 1HG LYS 84 1HG LYS 84 12.292 -1.995 -5.614 656 2HG LYS 84 2HG LYS 84 12.247 -2.280 -3.875 657 1HD LYS 84 1HD LYS 84 14.722 -2.597 -3.866 658 2HD LYS 84 2HD LYS 84 14.752 -2.109 -5.582 659 1HE LYS 84 1HE LYS 84 13.701 0.045 -5.018 660 2HE LYS 84 2HE LYS 84 13.472 -0.462 -3.344 661 1HZ LYS 84 1HZ LYS 84 16.068 0.109 -4.631 662 2HZ LYS 84 2HZ LYS 84 15.308 0.967 -3.446 663 3HZ LYS 84 3HZ LYS 84 15.912 -0.516 -3.124 664 H ARG 85 H ARG 85 11.482 -6.789 -3.551 665 HA ARG 85 HA ARG 85 11.144 -8.539 -5.835 666 1HB ARG 85 1HB ARG 85 11.152 -10.385 -4.419 667 2HB ARG 85 2HB ARG 85 12.425 -9.305 -3.927 668 1HG ARG 85 1HG ARG 85 9.777 -9.772 -2.480 669 2HG ARG 85 2HG ARG 85 11.336 -10.456 -2.053 670 1HD ARG 85 1HD ARG 85 10.442 -7.595 -1.803 671 2HD ARG 85 2HD ARG 85 10.908 -8.706 -0.512 672 HE ARG 85 HE ARG 85 13.113 -8.384 -2.285 673 1HH1 ARG 85 1HH2 ARG 85 11.519 -6.739 0.479 674 2HH1 ARG 85 2HH2 ARG 85 12.818 -5.577 0.633 675 1HH2 ARG 85 1HH1 ARG 85 14.749 -6.759 -2.041 676 2HH2 ARG 85 2HH1 ARG 85 14.540 -5.490 -0.873 677 H HIS 86 H HIS 86 8.771 -6.924 -3.752 678 HA HIS 86 HA HIS 86 6.607 -8.687 -4.590 679 1HB HIS 86 1HB HIS 86 6.484 -5.824 -3.573 680 2HB HIS 86 2HB HIS 86 5.118 -6.878 -3.852 681 HD1 HIS 86 HD1 HIS 86 7.241 -9.257 -2.223 682 HD2 HIS 86 HD2 HIS 86 5.198 -5.769 -1.058 683 HE1 HIS 86 HE1 HIS 86 6.958 -9.392 0.300 684 H ILE 87 H ILE 87 8.061 -5.584 -5.795 685 HA ILE 87 HA ILE 87 6.279 -5.237 -7.963 686 HB ILE 87 HB ILE 87 9.252 -4.555 -7.848 687 1HG1 ILE 87 1HG1 ILE 87 6.816 -2.843 -7.205 688 2HG1 ILE 87 2HG1 ILE 87 7.933 -3.518 -6.017 689 1HG2 ILE 87 1HG2 ILE 87 8.357 -4.557 -10.177 690 2HG2 ILE 87 2HG2 ILE 87 7.108 -3.404 -9.674 691 3HG2 ILE 87 3HG2 ILE 87 8.826 -2.958 -9.641 692 1HD1 ILE 87 1HD1 ILE 87 8.551 -1.366 -8.060 693 2HD1 ILE 87 2HD1 ILE 87 8.485 -1.247 -6.300 694 3HD1 ILE 87 3HD1 ILE 87 9.786 -2.181 -7.061 695 H GLU 88 H GLU 88 9.383 -7.092 -7.760 696 HA GLU 88 HA GLU 88 9.379 -7.958 -10.419 697 1HB GLU 88 1HB GLU 88 11.262 -8.119 -8.798 698 2HB GLU 88 2HB GLU 88 10.442 -9.463 -7.989 699 1HG GLU 88 1HG GLU 88 10.555 -10.805 -10.058 700 2HG GLU 88 2HG GLU 88 11.276 -9.444 -10.922 701 H ARG 89 H ARG 89 7.828 -9.550 -7.564 702 HA ARG 89 HA ARG 89 6.915 -11.832 -9.044 703 1HB ARG 89 1HB ARG 89 5.879 -10.579 -6.478 704 2HB ARG 89 2HB ARG 89 5.279 -12.095 -7.151 705 1HG ARG 89 1HG ARG 89 8.132 -11.563 -6.263 706 2HG ARG 89 2HG ARG 89 6.919 -12.499 -5.383 707 1HD ARG 89 1HD ARG 89 6.905 -14.050 -7.461 708 2HD ARG 89 2HD ARG 89 8.332 -13.138 -7.988 709 HE ARG 89 HE ARG 89 9.631 -14.112 -6.385 710 1HH1 ARG 89 1HH2 ARG 89 6.257 -15.038 -5.763 711 2HH1 ARG 89 2HH2 ARG 89 6.655 -16.249 -4.602 712 1HH2 ARG 89 1HH1 ARG 89 10.160 -15.725 -4.841 713 2HH2 ARG 89 2HH1 ARG 89 8.926 -16.646 -4.071 714 H LEU 90 H LEU 90 5.408 -8.635 -8.351 715 HA LEU 90 HA LEU 90 2.885 -9.334 -9.507 716 1HB LEU 90 1HB LEU 90 4.278 -6.698 -8.944 717 2HB LEU 90 2HB LEU 90 2.674 -6.752 -9.678 718 HG LEU 90 HG LEU 90 3.272 -8.165 -7.052 719 1HD1 LEU 90 1HD1 LEU 90 3.802 -5.796 -6.748 720 2HD1 LEU 90 2HD1 LEU 90 2.235 -5.334 -7.437 721 3HD1 LEU 90 3HD1 LEU 90 2.315 -6.219 -5.895 722 1HD2 LEU 90 1HD2 LEU 90 1.204 -8.865 -8.274 723 2HD2 LEU 90 2HD2 LEU 90 0.853 -8.068 -6.753 724 3HD2 LEU 90 3HD2 LEU 90 0.655 -7.178 -8.277 725 H CYS 91 H CYS 91 5.811 -7.766 -10.954 726 HA CYS 91 HA CYS 91 4.655 -7.406 -13.531 727 1HB CYS 91 1HB CYS 91 7.546 -7.912 -12.688 728 2HB CYS 91 2HB CYS 91 7.037 -7.410 -14.311 729 HG CYS 91 HG CYS 91 8.028 -5.357 -13.008 730 H GLU 92 H GLU 92 6.292 -10.272 -12.052 731 HA GLU 92 HA GLU 92 6.246 -11.829 -14.427 732 1HB GLU 92 1HB GLU 92 7.637 -12.229 -12.359 733 2HB GLU 92 2HB GLU 92 6.181 -12.771 -11.530 734 1HG GLU 92 1HG GLU 92 7.380 -14.704 -12.243 735 2HG GLU 92 2HG GLU 92 5.932 -14.602 -13.229 736 H MET 93 H MET 93 3.858 -11.421 -11.760 737 HA MET 93 HA MET 93 2.040 -13.442 -12.713 738 1HB MET 93 1HB MET 93 1.732 -11.061 -10.839 739 2HB MET 93 2HB MET 93 0.398 -12.151 -11.234 740 1HG MET 93 1HG MET 93 1.599 -14.068 -10.352 741 2HG MET 93 2HG MET 93 3.037 -13.094 -10.069 742 1HE MET 93 1HE MET 93 -0.644 -13.876 -8.968 743 2HE MET 93 2HE MET 93 -0.884 -12.785 -7.587 744 3HE MET 93 3HE MET 93 -0.808 -12.122 -9.230 745 H ALA 94 H ALA 94 2.389 -9.949 -13.417 746 HA ALA 94 HA ALA 94 0.253 -10.199 -15.482 747 1HB ALA 94 1HB ALA 94 -0.746 -8.102 -14.681 748 2HB ALA 94 2HB ALA 94 -0.779 -9.338 -13.406 749 3HB ALA 94 3HB ALA 94 0.421 -8.034 -13.342 750 HA PRO 95 HA PRO 95 4.152 -8.203 -17.133 751 1HB PRO 95 1HB PRO 95 3.047 -9.643 -19.546 752 2HB PRO 95 2HB PRO 95 4.754 -9.397 -19.061 753 1HG PRO 95 1HG PRO 95 3.548 -11.780 -18.615 754 2HG PRO 95 2HG PRO 95 4.582 -11.052 -17.342 755 1HD PRO 95 1HD PRO 95 1.565 -11.005 -17.561 756 2HD PRO 95 2HD PRO 95 2.591 -11.345 -16.137 757 H GLU 96 H GLU 96 0.776 -8.385 -18.300 758 HA GLU 96 HA GLU 96 0.578 -6.291 -20.095 759 1HB GLU 96 1HB GLU 96 -1.278 -6.991 -17.773 760 2HB GLU 96 2HB GLU 96 -1.739 -6.011 -19.172 761 1HG GLU 96 1HG GLU 96 -1.506 -7.899 -20.664 762 2HG GLU 96 2HG GLU 96 -0.759 -8.870 -19.386 763 H MET 97 H MET 97 1.105 -6.128 -16.640 764 HA MET 97 HA MET 97 0.732 -3.164 -16.598 765 1HB MET 97 1HB MET 97 0.215 -5.245 -14.428 766 2HB MET 97 2HB MET 97 0.049 -3.498 -14.244 767 1HG MET 97 1HG MET 97 -1.619 -3.554 -16.180 768 2HG MET 97 2HG MET 97 -1.567 -5.314 -16.059 769 1HE MET 97 1HE MET 97 -1.675 -2.299 -13.459 770 2HE MET 97 2HE MET 97 -2.967 -1.983 -14.641 771 3HE MET 97 3HE MET 97 -3.372 -2.393 -12.964 772 H ARG 98 H ARG 98 3.282 -5.076 -16.936 773 HA ARG 98 HA ARG 98 4.837 -4.672 -14.617 774 1HB ARG 98 1HB ARG 98 6.750 -5.238 -15.932 775 2HB ARG 98 2HB ARG 98 5.392 -6.231 -16.445 776 1HG ARG 98 1HG ARG 98 5.070 -4.528 -18.373 777 2HG ARG 98 2HG ARG 98 6.642 -3.868 -17.917 778 1HD ARG 98 1HD ARG 98 6.062 -6.745 -18.734 779 2HD ARG 98 2HD ARG 98 6.795 -5.507 -19.767 780 HE ARG 98 HE ARG 98 8.468 -5.536 -17.609 781 1HH1 ARG 98 1HH2 ARG 98 7.344 -8.052 -19.846 782 2HH1 ARG 98 2HH2 ARG 98 8.735 -9.051 -19.649 783 1HH2 ARG 98 1HH1 ARG 98 10.326 -6.867 -17.342 784 2HH2 ARG 98 2HH1 ARG 98 10.473 -8.349 -18.205 785 H GLY 99 H GLY 99 4.062 -2.344 -17.149 786 1HA GLY 99 1HA GLY 99 6.010 -0.367 -16.204 787 2HA GLY 99 2HA GLY 99 4.808 -0.178 -17.484 788 H LYS 100 H LYS 100 3.185 -1.441 -14.805 789 HA LYS 100 HA LYS 100 2.348 1.253 -13.822 790 1HB LYS 100 1HB LYS 100 0.684 -1.220 -14.454 791 2HB LYS 100 2HB LYS 100 0.075 0.180 -13.573 792 1HG LYS 100 1HG LYS 100 0.457 1.643 -15.480 793 2HG LYS 100 2HG LYS 100 1.157 0.306 -16.417 794 1HD LYS 100 1HD LYS 100 -0.934 -0.936 -16.326 795 2HD LYS 100 2HD LYS 100 -1.688 0.288 -15.303 796 1HE LYS 100 1HE LYS 100 -0.640 0.808 -18.122 797 2HE LYS 100 2HE LYS 100 -2.316 0.388 -17.758 798 1HZ LYS 100 1HZ LYS 100 -2.559 2.405 -16.500 799 2HZ LYS 100 2HZ LYS 100 -0.968 2.791 -16.679 800 3HZ LYS 100 3HZ LYS 100 -1.965 2.781 -17.971 801 H VAL 101 H VAL 101 3.941 -1.551 -12.841 802 HA VAL 101 HA VAL 101 2.803 -1.433 -10.120 803 HB VAL 101 HB VAL 101 5.211 -3.057 -10.986 804 1HG1 VAL 101 1HG1 VAL 101 3.205 -3.319 -8.688 805 2HG1 VAL 101 2HG1 VAL 101 4.568 -4.407 -9.003 806 3HG1 VAL 101 3HG1 VAL 101 4.871 -2.729 -8.547 807 1HG2 VAL 101 1HG2 VAL 101 3.450 -3.890 -12.409 808 2HG2 VAL 101 2HG2 VAL 101 3.703 -5.038 -11.115 809 3HG2 VAL 101 3HG2 VAL 101 2.295 -3.950 -11.060 810 H MET 102 H MET 102 3.873 -0.188 -8.496 811 HA MET 102 HA MET 102 6.598 0.812 -9.098 812 1HB MET 102 1HB MET 102 4.729 2.399 -9.940 813 2HB MET 102 2HB MET 102 4.400 2.731 -8.234 814 1HG MET 102 1HG MET 102 6.748 3.458 -7.934 815 2HG MET 102 2HG MET 102 7.101 3.051 -9.613 816 1HE MET 102 1HE MET 102 5.909 4.332 -11.698 817 2HE MET 102 2HE MET 102 4.271 4.360 -10.995 818 3HE MET 102 3HE MET 102 5.032 5.869 -11.526 819 H LEU 103 H LEU 103 7.757 1.578 -7.258 820 HA LEU 103 HA LEU 103 7.042 0.324 -4.758 821 1HB LEU 103 1HB LEU 103 9.425 0.791 -5.825 822 2HB LEU 103 2HB LEU 103 9.215 2.407 -5.176 823 HG LEU 103 HG LEU 103 8.811 1.266 -2.878 824 1HD1 LEU 103 1HD1 LEU 103 9.835 -0.981 -2.631 825 2HD1 LEU 103 2HD1 LEU 103 8.399 -1.047 -3.662 826 3HD1 LEU 103 3HD1 LEU 103 10.020 -1.101 -4.389 827 1HD2 LEU 103 1HD2 LEU 103 11.487 1.094 -4.319 828 2HD2 LEU 103 2HD2 LEU 103 10.842 2.437 -3.340 829 3HD2 LEU 103 3HD2 LEU 103 11.282 0.915 -2.562 830 H PHE 104 H PHE 104 6.157 1.312 -2.933 831 HA PHE 104 HA PHE 104 4.850 3.759 -3.235 832 1HB PHE 104 1HB PHE 104 4.352 1.782 -1.651 833 2HB PHE 104 2HB PHE 104 5.553 2.467 -0.567 834 HD1 PHE 104 HD1 PHE 104 4.010 2.817 1.289 835 HD2 PHE 104 HD2 PHE 104 3.098 4.487 -2.580 836 HE1 PHE 104 HE1 PHE 104 2.054 4.030 2.234 837 HE2 PHE 104 HE2 PHE 104 1.217 5.702 -1.637 838 HZ PHE 104 HZ PHE 104 0.582 5.380 0.726 839 H GLY 105 H GLY 105 7.950 2.998 -1.649 840 1HA GLY 105 1HA GLY 105 8.398 5.753 -0.810 841 2HA GLY 105 2HA GLY 105 9.504 4.388 -0.644 842 H HIS 106 H HIS 106 8.187 5.002 -3.855 843 HA HIS 106 HA HIS 106 10.594 5.295 -5.235 844 1HB HIS 106 1HB HIS 106 8.648 4.875 -6.481 845 2HB HIS 106 2HB HIS 106 7.748 6.178 -5.712 846 HD1 HIS 106 HD1 HIS 106 11.148 6.649 -7.632 847 HD2 HIS 106 HD2 HIS 106 7.041 7.664 -7.676 848 HE1 HIS 106 HE1 HIS 106 10.834 8.318 -9.506 849 H TRP 107 H TRP 107 8.468 7.947 -4.020 850 HA TRP 107 HA TRP 107 10.058 10.050 -4.941 851 1HB TRP 107 1HB TRP 107 8.346 10.152 -2.443 852 2HB TRP 107 2HB TRP 107 8.678 11.451 -3.579 853 HD1 TRP 107 HD1 TRP 107 6.326 8.620 -2.879 854 HE1 TRP 107 HE1 TRP 107 4.496 8.467 -4.626 855 HE3 TRP 107 HE3 TRP 107 8.206 11.938 -6.316 856 HZ2 TRP 107 HZ2 TRP 107 3.878 9.629 -7.207 857 HZ3 TRP 107 HZ3 TRP 107 6.954 12.399 -8.409 858 HH2 TRP 107 HH2 TRP 107 4.782 11.263 -8.852 859 H ASP 108 H ASP 108 10.607 7.999 -2.177 860 HA ASP 108 HA ASP 108 12.594 9.903 -1.041 861 1HB ASP 108 1HB ASP 108 10.723 9.028 0.447 862 2HB ASP 108 2HB ASP 108 11.363 7.399 0.209 863 H ASN 109 H ASN 109 13.177 8.902 -3.397 864 HA ASN 109 HA ASN 109 14.665 7.803 -4.580 865 1HB ASN 109 1HB ASN 109 16.180 9.214 -3.284 866 2HB ASN 109 2HB ASN 109 16.369 7.929 -2.078 867 1HD2 ASN 109 2HD2 ASN 109 16.116 7.029 -5.527 868 2HD2 ASN 109 1HD2 ASN 109 17.824 6.736 -5.746 869 H GLU 110 H GLU 110 12.793 6.197 -4.136 870 HA GLU 110 HA GLU 110 12.176 4.027 -4.163 871 1HB GLU 110 1HB GLU 110 15.050 3.760 -5.135 872 2HB GLU 110 2HB GLU 110 13.840 2.483 -5.218 873 1HG GLU 110 1HG GLU 110 13.822 3.482 -7.331 874 2HG GLU 110 2HG GLU 110 12.336 3.947 -6.502 875 H CYS 111 H CYS 111 12.532 4.793 -1.629 876 HA CYS 111 HA CYS 111 14.170 2.960 -0.105 877 1HB CYS 111 1HB CYS 111 13.438 5.279 0.565 878 2HB CYS 111 2HB CYS 111 11.781 4.672 0.711 879 HG CYS 111 HG CYS 111 14.539 3.725 2.306 880 H GLU 112 H GLU 112 13.668 0.772 0.045 881 HA GLU 112 HA GLU 112 10.870 -0.134 -0.214 882 1HB GLU 112 1HB GLU 112 11.748 -2.365 0.129 883 2HB GLU 112 2HB GLU 112 12.593 -1.568 -1.191 884 1HG GLU 112 1HG GLU 112 14.582 -1.270 0.126 885 2HG GLU 112 2HG GLU 112 13.745 -1.665 1.630 886 H ILE 113 H ILE 113 9.983 -1.515 1.630 887 HA ILE 113 HA ILE 113 10.710 -0.223 4.228 888 HB ILE 113 HB ILE 113 7.898 -0.838 3.326 889 1HG1 ILE 113 1HG1 ILE 113 9.448 1.765 2.952 890 2HG1 ILE 113 2HG1 ILE 113 8.760 0.749 1.686 891 1HG2 ILE 113 1HG2 ILE 113 7.274 0.711 5.138 892 2HG2 ILE 113 2HG2 ILE 113 8.207 -0.643 5.732 893 3HG2 ILE 113 3HG2 ILE 113 8.992 0.937 5.536 894 1HD1 ILE 113 1HD1 ILE 113 7.243 2.471 3.632 895 2HD1 ILE 113 2HD1 ILE 113 7.340 2.610 1.873 896 3HD1 ILE 113 3HD1 ILE 113 6.468 1.246 2.601 897 HA PRO 114 HA PRO 114 10.698 -4.467 5.852 898 1HB PRO 114 1HB PRO 114 9.922 -3.000 8.375 899 2HB PRO 114 2HB PRO 114 11.155 -4.280 8.153 900 1HG PRO 114 1HG PRO 114 11.896 -1.682 8.385 901 2HG PRO 114 2HG PRO 114 12.682 -2.737 7.164 902 1HD PRO 114 1HD PRO 114 10.468 -0.717 6.752 903 2HD PRO 114 2HD PRO 114 11.933 -1.017 5.769 904 H ASP 115 H ASP 115 9.120 -5.788 7.312 905 HA ASP 115 HA ASP 115 6.298 -4.938 6.859 906 1HB ASP 115 1HB ASP 115 6.989 -6.874 5.458 907 2HB ASP 115 2HB ASP 115 7.346 -7.782 6.926 908 HA PRO 116 HA PRO 116 6.668 -5.116 11.266 909 1HB PRO 116 1HB PRO 116 4.292 -4.113 12.054 910 2HB PRO 116 2HB PRO 116 5.436 -3.139 11.086 911 1HG PRO 116 1HG PRO 116 3.036 -4.718 10.101 912 2HG PRO 116 2HG PRO 116 3.463 -3.017 9.728 913 1HD PRO 116 1HD PRO 116 4.129 -5.135 8.087 914 2HD PRO 116 2HD PRO 116 5.151 -3.680 8.229 915 H TYR 117 H TYR 117 4.603 -7.317 9.595 916 HA TYR 117 HA TYR 117 2.807 -8.553 10.321 917 1HB TYR 117 1HB TYR 117 4.653 -9.882 9.494 918 2HB TYR 117 2HB TYR 117 5.356 -9.987 11.100 919 HD1 TYR 117 HD1 TYR 117 1.889 -10.493 9.663 920 HD2 TYR 117 HD2 TYR 117 5.109 -12.153 12.009 921 HE1 TYR 117 HE1 TYR 117 0.531 -12.515 10.080 922 HE2 TYR 117 HE2 TYR 117 3.766 -14.188 12.418 923 HH TYR 117 HH TYR 117 0.442 -14.609 11.113 924 H ARG 118 H ARG 118 4.903 -9.477 13.095 925 HA ARG 118 HA ARG 118 2.764 -8.597 14.959 926 1HB ARG 118 1HB ARG 118 4.078 -11.346 14.883 927 2HB ARG 118 2HB ARG 118 3.020 -10.806 16.173 928 1HG ARG 118 1HG ARG 118 2.027 -10.984 13.299 929 2HG ARG 118 2HG ARG 118 2.102 -12.373 14.354 930 1HD ARG 118 1HD ARG 118 -0.118 -11.486 14.316 931 2HD ARG 118 2HD ARG 118 0.554 -11.371 15.938 932 HE ARG 118 HE ARG 118 -0.089 -9.163 14.040 933 1HH1 ARG 118 1HH2 ARG 118 1.050 -9.998 17.328 934 2HH1 ARG 118 2HH2 ARG 118 0.809 -8.395 17.919 935 1HH2 ARG 118 1HH1 ARG 118 -0.431 -7.157 14.820 936 2HH2 ARG 118 2HH1 ARG 118 -0.042 -6.718 16.461 937 H LYS 119 H LYS 119 5.388 -7.499 14.177 938 HA LYS 119 HA LYS 119 7.308 -8.141 16.284 939 1HB LYS 119 1HB LYS 119 7.245 -5.940 14.163 940 2HB LYS 119 2HB LYS 119 8.621 -6.326 15.199 941 1HG LYS 119 1HG LYS 119 8.735 -8.611 14.230 942 2HG LYS 119 2HG LYS 119 7.400 -8.211 13.135 943 1HD LYS 119 1HD LYS 119 8.755 -6.395 12.125 944 2HD LYS 119 2HD LYS 119 10.065 -6.747 13.262 945 1HE LYS 119 1HE LYS 119 10.694 -7.737 11.215 946 2HE LYS 119 2HE LYS 119 10.241 -9.059 12.292 947 1HZ LYS 119 1HZ LYS 119 8.501 -7.906 10.174 948 2HZ LYS 119 2HZ LYS 119 9.353 -9.296 10.036 949 3HZ LYS 119 3HZ LYS 119 8.134 -9.211 11.112 950 H SER 120 H SER 120 8.322 -5.977 17.293 951 HA SER 120 HA SER 120 6.530 -5.156 19.298 952 1HB SER 120 1HB SER 120 9.100 -3.772 18.426 953 2HB SER 120 2HB SER 120 8.377 -3.776 20.045 954 HG SER 120 HG SER 120 10.096 -5.281 19.861 955 H ARG 121 H ARG 121 5.809 -2.990 19.864 956 HA ARG 121 HA ARG 121 4.413 -1.594 17.851 957 1HB ARG 121 1HB ARG 121 5.253 -0.974 20.693 958 2HB ARG 121 2HB ARG 121 4.635 0.339 19.714 959 1HG ARG 121 1HG ARG 121 3.102 -2.255 20.139 960 2HG ARG 121 2HG ARG 121 2.930 -0.827 21.163 961 1HD ARG 121 1HD ARG 121 2.333 -0.947 18.180 962 2HD ARG 121 2HD ARG 121 1.150 -0.920 19.479 963 HE ARG 121 HE ARG 121 3.027 1.288 18.737 964 1HH1 ARG 121 1HH2 ARG 121 -0.059 0.355 20.273 965 2HH1 ARG 121 2HH2 ARG 121 -0.618 2.006 20.387 966 1HH2 ARG 121 1HH1 ARG 121 2.313 3.437 19.067 967 2HH2 ARG 121 2HH1 ARG 121 0.744 3.746 19.743 968 H GLU 122 H GLU 122 7.750 -1.066 19.024 969 HA GLU 122 HA GLU 122 8.145 1.454 17.837 970 1HB GLU 122 1HB GLU 122 9.648 0.251 19.487 971 2HB GLU 122 2HB GLU 122 10.169 -0.804 18.176 972 1HG GLU 122 1HG GLU 122 11.843 0.871 18.452 973 2HG GLU 122 2HG GLU 122 11.019 1.233 16.945 974 H THR 123 H THR 123 8.402 -1.866 16.453 975 HA THR 123 HA THR 123 9.471 -0.941 13.937 976 HB THR 123 HB THR 123 8.018 -3.564 14.435 977 HG1 THR 123 1HG THR 123 10.012 -4.350 15.188 978 1HG2 THR 123 1HG2 THR 123 8.707 -3.151 12.114 979 2HG2 THR 123 2HG2 THR 123 10.347 -2.712 12.643 980 3HG2 THR 123 3HG2 THR 123 9.771 -4.379 12.818 981 H PHE 124 H PHE 124 6.156 -1.762 15.153 982 HA PHE 124 HA PHE 124 4.792 -1.294 12.694 983 1HB PHE 124 1HB PHE 124 4.007 -1.180 15.608 984 2HB PHE 124 2HB PHE 124 2.948 -0.473 14.409 985 HD1 PHE 124 HD1 PHE 124 1.671 -1.752 12.842 986 HD2 PHE 124 HD2 PHE 124 4.410 -3.691 15.558 987 HE1 PHE 124 HE1 PHE 124 0.628 -3.951 12.344 988 HE2 PHE 124 HE2 PHE 124 3.357 -5.876 15.049 989 HZ PHE 124 HZ PHE 124 1.452 -5.999 13.457 990 H ALA 125 H ALA 125 5.718 1.014 15.326 991 HA ALA 125 HA ALA 125 4.522 3.278 14.108 992 1HB ALA 125 1HB ALA 125 5.208 3.199 16.478 993 2HB ALA 125 2HB ALA 125 6.919 3.131 15.993 994 3HB ALA 125 3HB ALA 125 5.951 4.576 15.641 995 H ALA 126 H ALA 126 7.872 1.949 13.808 996 HA ALA 126 HA ALA 126 8.894 4.033 12.184 997 1HB ALA 126 1HB ALA 126 9.643 1.072 12.228 998 2HB ALA 126 2HB ALA 126 10.614 2.384 11.533 999 3HB ALA 126 3HB ALA 126 10.312 2.339 13.280 1000 H VAL 127 H VAL 127 7.408 0.882 11.212 1001 HA VAL 127 HA VAL 127 7.484 1.362 8.422 1002 HB VAL 127 HB VAL 127 5.702 -0.378 10.174 1003 1HG1 VAL 127 1HG1 VAL 127 4.473 0.055 8.076 1004 2HG1 VAL 127 2HG1 VAL 127 5.910 -0.418 7.132 1005 3HG1 VAL 127 3HG1 VAL 127 5.053 -1.596 8.144 1006 1HG2 VAL 127 1HG2 VAL 127 7.115 -2.210 9.315 1007 2HG2 VAL 127 2HG2 VAL 127 8.034 -1.067 8.317 1008 3HG2 VAL 127 3HG2 VAL 127 8.133 -0.990 10.085 1009 H TYR 128 H TYR 128 4.874 2.081 10.850 1010 HA TYR 128 HA TYR 128 3.026 3.137 9.022 1011 1HB TYR 128 1HB TYR 128 2.623 2.595 11.435 1012 2HB TYR 128 2HB TYR 128 3.499 4.050 11.890 1013 HD1 TYR 128 HD1 TYR 128 0.297 2.670 11.137 1014 HD2 TYR 128 HD2 TYR 128 2.569 6.333 10.850 1015 HE1 TYR 128 HE1 TYR 128 -1.802 3.970 10.980 1016 HE2 TYR 128 HE2 TYR 128 0.511 7.613 10.566 1017 HH TYR 128 HH TYR 128 -1.847 7.540 10.641 1018 H THR 129 H THR 129 5.739 4.814 10.734 1019 HA THR 129 HA THR 129 5.149 7.398 9.732 1020 HB THR 129 HB THR 129 7.858 6.223 10.504 1021 HG1 THR 129 1HG THR 129 6.427 5.953 12.182 1022 1HG2 THR 129 1HG2 THR 129 6.842 9.104 10.481 1023 2HG2 THR 129 2HG2 THR 129 8.398 8.561 11.156 1024 3HG2 THR 129 3HG2 THR 129 8.093 8.422 9.420 1025 H LEU 130 H LEU 130 7.190 4.750 8.355 1026 HA LEU 130 HA LEU 130 8.118 6.242 6.115 1027 1HB LEU 130 1HB LEU 130 8.660 3.764 7.128 1028 2HB LEU 130 2HB LEU 130 7.565 3.292 5.860 1029 HG LEU 130 HG LEU 130 9.640 3.085 4.898 1030 1HD1 LEU 130 1HD1 LEU 130 9.975 4.717 3.153 1031 2HD1 LEU 130 2HD1 LEU 130 8.240 4.495 3.376 1032 3HD1 LEU 130 3HD1 LEU 130 9.033 5.941 4.021 1033 1HD2 LEU 130 1HD2 LEU 130 10.953 4.140 6.680 1034 2HD2 LEU 130 2HD2 LEU 130 11.503 4.707 5.100 1035 3HD2 LEU 130 3HD2 LEU 130 10.484 5.754 6.113 1036 H LEU 131 H LEU 131 5.257 4.113 6.567 1037 HA LEU 131 HA LEU 131 4.243 4.391 3.910 1038 1HB LEU 131 1HB LEU 131 3.133 3.458 6.557 1039 2HB LEU 131 2HB LEU 131 1.993 3.905 5.296 1040 HG LEU 131 HG LEU 131 3.027 2.341 3.715 1041 1HD1 LEU 131 1HD1 LEU 131 5.334 2.229 4.676 1042 2HD1 LEU 131 2HD1 LEU 131 4.689 1.328 6.046 1043 3HD1 LEU 131 3HD1 LEU 131 4.616 0.632 4.417 1044 1HD2 LEU 131 1HD2 LEU 131 2.181 0.284 4.783 1045 2HD2 LEU 131 2HD2 LEU 131 2.207 1.084 6.370 1046 3HD2 LEU 131 3HD2 LEU 131 1.113 1.653 5.091 1047 H GLU 132 H GLU 132 3.708 6.375 6.870 1048 HA GLU 132 HA GLU 132 1.720 8.031 5.704 1049 1HB GLU 132 1HB GLU 132 2.347 7.830 8.187 1050 2HB GLU 132 2HB GLU 132 3.729 8.882 7.834 1051 1HG GLU 132 1HG GLU 132 2.013 10.525 6.829 1052 2HG GLU 132 2HG GLU 132 0.766 9.484 7.515 1053 H ARG 133 H ARG 133 5.300 8.491 5.941 1054 HA ARG 133 HA ARG 133 5.408 10.900 4.446 1055 1HB ARG 133 1HB ARG 133 7.390 8.576 4.589 1056 2HB ARG 133 2HB ARG 133 7.706 10.088 3.725 1057 1HG ARG 133 1HG ARG 133 7.363 11.368 5.825 1058 2HG ARG 133 2HG ARG 133 7.071 9.848 6.681 1059 1HD ARG 133 1HD ARG 133 9.358 10.571 7.073 1060 2HD ARG 133 2HD ARG 133 9.352 9.081 6.132 1061 HE ARG 133 HE ARG 133 9.804 11.836 5.036 1062 1HH1 ARG 133 1HH2 ARG 133 10.607 8.371 4.939 1063 2HH1 ARG 133 2HH2 ARG 133 11.767 8.536 3.656 1064 1HH2 ARG 133 1HH1 ARG 133 11.395 12.049 3.395 1065 2HH2 ARG 133 2HH1 ARG 133 12.226 10.653 2.781 1066 H SER 134 H SER 134 5.503 7.528 3.301 1067 HA SER 134 HA SER 134 5.771 8.144 0.541 1068 1HB SER 134 1HB SER 134 4.429 5.728 1.812 1069 2HB SER 134 2HB SER 134 5.051 5.847 0.152 1070 HG SER 134 HG SER 134 6.493 5.900 2.604 1071 H ALA 135 H ALA 135 2.779 7.563 2.496 1072 HA ALA 135 HA ALA 135 0.962 7.907 0.360 1073 1HB ALA 135 1HB ALA 135 -0.720 8.254 2.127 1074 2HB ALA 135 2HB ALA 135 0.348 6.900 2.545 1075 3HB ALA 135 3HB ALA 135 0.565 8.478 3.334 1076 H ARG 136 H ARG 136 2.341 10.322 2.674 1077 HA ARG 136 HA ARG 136 0.836 12.557 1.702 1078 1HB ARG 136 1HB ARG 136 3.547 12.293 3.062 1079 2HB ARG 136 2HB ARG 136 2.849 13.858 2.631 1080 1HG ARG 136 1HG ARG 136 0.926 13.456 4.102 1081 2HG ARG 136 2HG ARG 136 1.547 11.846 4.507 1082 1HD ARG 136 1HD ARG 136 3.651 12.893 5.360 1083 2HD ARG 136 2HD ARG 136 2.971 14.493 5.057 1084 HE ARG 136 HE ARG 136 2.357 12.619 7.233 1085 1HH1 ARG 136 1HH2 ARG 136 1.155 15.546 5.585 1086 2HH1 ARG 136 2HH2 ARG 136 0.314 16.112 6.980 1087 1HH2 ARG 136 1HH1 ARG 136 1.351 13.308 8.953 1088 2HH2 ARG 136 2HH1 ARG 136 0.410 14.791 9.012 1089 H GLN 137 H GLN 137 4.071 11.254 0.712 1090 HA GLN 137 HA GLN 137 4.587 13.279 -1.204 1091 1HB GLN 137 1HB GLN 137 5.529 10.392 -1.027 1092 2HB GLN 137 2HB GLN 137 6.168 11.561 -2.177 1093 1HG GLN 137 1HG GLN 137 6.242 12.139 0.806 1094 2HG GLN 137 2HG GLN 137 7.444 11.112 0.036 1095 1HE2 GLN 137 2HE2 GLN 137 8.960 12.757 0.867 1096 2HE2 GLN 137 1HE2 GLN 137 9.220 14.210 -0.070 1097 H TRP 138 H TRP 138 3.080 10.011 -1.635 1098 HA TRP 138 HA TRP 138 2.569 10.298 -4.394 1099 1HB TRP 138 1HB TRP 138 1.440 8.588 -2.193 1100 2HB TRP 138 2HB TRP 138 0.561 8.688 -3.712 1101 HD1 TRP 138 HD1 TRP 138 3.768 7.256 -2.259 1102 HE1 TRP 138 HE1 TRP 138 4.952 5.811 -3.966 1103 HE3 TRP 138 HE3 TRP 138 0.826 8.288 -6.317 1104 HZ2 TRP 138 HZ2 TRP 138 4.580 5.047 -6.759 1105 HZ3 TRP 138 HZ3 TRP 138 1.250 7.169 -8.489 1106 HH2 TRP 138 HH2 TRP 138 3.116 5.548 -8.719 1107 H ALA 139 H ALA 139 0.393 11.108 -1.589 1108 HA ALA 139 HA ALA 139 -1.718 12.130 -3.126 1109 1HB ALA 139 1HB ALA 139 -1.906 11.746 -0.728 1110 2HB ALA 139 2HB ALA 139 -0.687 12.997 -0.388 1111 3HB ALA 139 3HB ALA 139 -2.253 13.456 -1.074 1112 H GLN 140 H GLN 140 1.234 13.848 -1.948 1113 HA GLN 140 HA GLN 140 0.529 16.400 -2.919 1114 1HB GLN 140 1HB GLN 140 2.260 16.039 -1.262 1115 2HB GLN 140 2HB GLN 140 3.215 15.076 -2.384 1116 1HG GLN 140 1HG GLN 140 4.236 17.219 -2.116 1117 2HG GLN 140 2HG GLN 140 3.654 17.080 -3.766 1118 1HE2 GLN 140 2HE2 GLN 140 1.579 18.254 -4.323 1119 2HE2 GLN 140 1HE2 GLN 140 1.191 19.708 -3.423 1120 H ALA 141 H ALA 141 2.191 13.675 -4.593 1121 HA ALA 141 HA ALA 141 2.730 15.152 -6.983 1122 1HB ALA 141 1HB ALA 141 3.107 12.935 -7.976 1123 2HB ALA 141 2HB ALA 141 3.938 13.111 -6.415 1124 3HB ALA 141 3HB ALA 141 2.444 12.156 -6.526 1125 H LEU 142 H LEU 142 0.225 12.777 -6.120 1126 HA LEU 142 HA LEU 142 -1.204 12.745 -8.535 1127 1HB LEU 142 1HB LEU 142 -2.005 12.199 -5.651 1128 2HB LEU 142 2HB LEU 142 -3.074 11.858 -6.997 1129 HG LEU 142 HG LEU 142 -0.307 10.610 -6.785 1130 1HD1 LEU 142 1HD1 LEU 142 -1.647 9.970 -4.806 1131 2HD1 LEU 142 2HD1 LEU 142 -2.983 9.486 -5.871 1132 3HD1 LEU 142 3HD1 LEU 142 -1.454 8.597 -5.907 1133 1HD2 LEU 142 1HD2 LEU 142 -1.345 10.574 -9.042 1134 2HD2 LEU 142 2HD2 LEU 142 -1.180 8.961 -8.331 1135 3HD2 LEU 142 3HD2 LEU 142 -2.768 9.750 -8.358 1136 H ASN 143 H ASN 143 -1.708 14.774 -5.635 1137 HA ASN 143 HA ASN 143 -4.158 15.902 -6.256 1138 1HB ASN 143 1HB ASN 143 -3.108 16.093 -4.075 1139 2HB ASN 143 2HB ASN 143 -1.787 17.057 -4.744 1140 1HD2 ASN 143 2HD2 ASN 143 -2.006 19.232 -4.310 1141 2HD2 ASN 143 1HD2 ASN 143 -3.525 20.068 -4.133 1142 H ALA 144 H ALA 144 -1.087 16.687 -7.774 1143 HA ALA 144 HA ALA 144 -2.522 18.681 -9.421 1144 1HB ALA 144 1HB ALA 144 -1.184 19.956 -7.768 1145 2HB ALA 144 2HB ALA 144 0.286 19.129 -8.324 1146 3HB ALA 144 3HB ALA 144 -0.602 20.199 -9.423 1147 H GLU 145 H GLU 145 -1.997 15.904 -9.752 1148 HA GLU 145 HA GLU 145 -1.407 14.428 -11.348 1149 1HB GLU 145 1HB GLU 145 -3.122 16.117 -12.268 1150 2HB GLU 145 2HB GLU 145 -1.806 16.757 -13.252 1151 1HG GLU 145 1HG GLU 145 -1.508 14.410 -14.202 1152 2HG GLU 145 2HG GLU 145 -2.892 13.906 -13.244 1153 H GLN 146 H GLN 146 0.930 15.317 -10.172 1154 HA GLN 146 HA GLN 146 2.901 15.805 -12.273 1155 1HB GLN 146 1HB GLN 146 3.125 15.160 -9.309 1156 2HB GLN 146 2HB GLN 146 4.525 15.366 -10.357 1157 1HG GLN 146 1HG GLN 146 4.325 17.635 -10.484 1158 2HG GLN 146 2HG GLN 146 2.571 17.611 -10.554 1159 1HE2 GLN 146 2HE2 GLN 146 1.471 16.835 -8.403 1160 2HE2 GLN 146 1HE2 GLN 146 2.101 17.541 -6.947 1161 H VAL 147 H VAL 147 4.415 14.290 -12.951 1162 HA VAL 147 HA VAL 147 3.781 11.428 -12.704 1163 HB VAL 147 HB VAL 147 3.773 11.385 -15.264 1164 1HG1 VAL 147 1HG1 VAL 147 1.721 11.039 -13.903 1165 2HG1 VAL 147 2HG1 VAL 147 1.390 12.783 -13.968 1166 3HG1 VAL 147 3HG1 VAL 147 1.382 11.816 -15.452 1167 1HG2 VAL 147 1HG2 VAL 147 4.566 13.717 -15.690 1168 2HG2 VAL 147 2HG2 VAL 147 3.020 13.382 -16.475 1169 3HG2 VAL 147 3HG2 VAL 147 3.060 14.356 -14.992 Start of MODEL 15 1 H MET 1 H MET 1 -3.777 9.461 -15.725 2 HA MET 1 HA MET 1 -3.051 10.890 -13.969 3 1HB MET 1 1HB MET 1 -4.825 12.593 -14.320 4 2HB MET 1 2HB MET 1 -6.023 11.521 -13.597 5 1HG MET 1 1HG MET 1 -3.531 12.451 -12.115 6 2HG MET 1 2HG MET 1 -5.010 13.400 -12.182 7 1HE MET 1 1HE MET 1 -4.780 13.434 -9.421 8 2HE MET 1 2HE MET 1 -4.762 11.920 -8.482 9 3HE MET 1 3HE MET 1 -3.390 12.336 -9.550 10 H PHE 2 H PHE 2 -2.695 9.879 -11.987 11 HA PHE 2 HA PHE 2 -3.404 7.132 -11.758 12 1HB PHE 2 1HB PHE 2 -2.094 8.906 -9.683 13 2HB PHE 2 2HB PHE 2 -1.933 7.165 -9.842 14 HD1 PHE 2 HD1 PHE 2 -0.053 9.943 -10.038 15 HD2 PHE 2 HD2 PHE 2 -1.201 6.672 -12.617 16 HE1 PHE 2 HE1 PHE 2 2.025 10.241 -11.349 17 HE2 PHE 2 HE2 PHE 2 0.877 6.990 -13.929 18 HZ PHE 2 HZ PHE 2 2.498 8.766 -13.295 19 H ASN 3 H ASN 3 -5.860 8.315 -11.710 20 HA ASN 3 HA ASN 3 -6.847 9.001 -9.122 21 1HB ASN 3 1HB ASN 3 -8.988 9.130 -10.159 22 2HB ASN 3 2HB ASN 3 -7.843 9.711 -11.363 23 1HD2 ASN 3 2HD2 ASN 3 -7.155 7.969 -13.104 24 2HD2 ASN 3 1HD2 ASN 3 -8.383 6.811 -13.529 25 H ASN 4 H ASN 4 -6.271 5.916 -10.584 26 HA ASN 4 HA ASN 4 -8.039 4.565 -8.566 27 1HB ASN 4 1HB ASN 4 -8.895 4.743 -10.952 28 2HB ASN 4 2HB ASN 4 -7.487 3.814 -11.471 29 1HD2 ASN 4 2HD2 ASN 4 -8.969 2.229 -12.320 30 2HD2 ASN 4 1HD2 ASN 4 -9.614 1.015 -11.243 31 H ILE 5 H ILE 5 -6.562 3.774 -7.093 32 HA ILE 5 HA ILE 5 -4.026 2.596 -8.156 33 HB ILE 5 HB ILE 5 -4.675 4.232 -5.689 34 1HG1 ILE 5 1HG1 ILE 5 -2.460 4.857 -7.645 35 2HG1 ILE 5 2HG1 ILE 5 -4.113 5.274 -8.077 36 1HG2 ILE 5 1HG2 ILE 5 -2.018 2.853 -6.308 37 2HG2 ILE 5 2HG2 ILE 5 -2.246 4.085 -5.053 38 3HG2 ILE 5 3HG2 ILE 5 -3.069 2.546 -4.909 39 1HD1 ILE 5 1HD1 ILE 5 -2.750 6.203 -5.518 40 2HD1 ILE 5 2HD1 ILE 5 -2.922 7.139 -7.008 41 3HD1 ILE 5 3HD1 ILE 5 -4.373 6.649 -6.106 42 H LEU 6 H LEU 6 -3.147 0.767 -7.147 43 HA LEU 6 HA LEU 6 -4.815 -0.564 -5.034 44 1HB LEU 6 1HB LEU 6 -4.559 -1.589 -7.558 45 2HB LEU 6 2HB LEU 6 -3.098 -2.223 -6.844 46 HG LEU 6 HG LEU 6 -5.983 -2.740 -6.048 47 1HD1 LEU 6 1HD1 LEU 6 -5.019 -4.028 -7.955 48 2HD1 LEU 6 2HD1 LEU 6 -3.702 -4.567 -6.910 49 3HD1 LEU 6 3HD1 LEU 6 -5.373 -5.073 -6.570 50 1HD2 LEU 6 1HD2 LEU 6 -5.145 -4.309 -4.317 51 2HD2 LEU 6 2HD2 LEU 6 -3.516 -3.637 -4.520 52 3HD2 LEU 6 3HD2 LEU 6 -4.844 -2.630 -3.916 53 H VAL 7 H VAL 7 -3.556 -1.229 -3.264 54 HA VAL 7 HA VAL 7 -0.594 -0.937 -3.481 55 HB VAL 7 HB VAL 7 -2.289 -0.662 -0.967 56 1HG1 VAL 7 1HG1 VAL 7 0.575 0.168 -1.645 57 2HG1 VAL 7 2HG1 VAL 7 -0.254 0.399 -0.095 58 3HG1 VAL 7 3HG1 VAL 7 0.114 -1.232 -0.655 59 1HG2 VAL 7 1HG2 VAL 7 -2.970 1.205 -2.393 60 2HG2 VAL 7 2HG2 VAL 7 -1.899 1.803 -1.130 61 3HG2 VAL 7 3HG2 VAL 7 -1.276 1.577 -2.782 62 H VAL 8 H VAL 8 0.600 -2.745 -2.965 63 HA VAL 8 HA VAL 8 -0.945 -5.155 -2.127 64 HB VAL 8 HB VAL 8 1.292 -5.130 -4.168 65 1HG1 VAL 8 1HG1 VAL 8 0.262 -7.240 -4.896 66 2HG1 VAL 8 2HG1 VAL 8 0.643 -7.314 -3.174 67 3HG1 VAL 8 3HG1 VAL 8 -1.037 -7.046 -3.698 68 1HG2 VAL 8 1HG2 VAL 8 -1.662 -4.746 -4.728 69 2HG2 VAL 8 2HG2 VAL 8 -0.341 -3.645 -5.175 70 3HG2 VAL 8 3HG2 VAL 8 -0.467 -5.215 -5.950 71 H CYS 9 H CYS 9 -0.001 -6.485 -0.628 72 HA CYS 9 HA CYS 9 2.929 -6.409 -0.221 73 1HB CYS 9 1HB CYS 9 0.832 -5.667 1.840 74 2HB CYS 9 2HB CYS 9 2.295 -6.507 2.369 75 HG CYS 9 HG CYS 9 2.379 -3.944 0.304 76 H VAL 10 H VAL 10 3.415 -8.226 1.623 77 HA VAL 10 HA VAL 10 1.903 -10.659 0.755 78 HB VAL 10 HB VAL 10 3.590 -11.873 2.118 79 1HG1 VAL 10 1HG1 VAL 10 4.658 -10.148 -0.153 80 2HG1 VAL 10 2HG1 VAL 10 5.446 -11.609 0.483 81 3HG1 VAL 10 3HG1 VAL 10 3.854 -11.720 -0.282 82 1HG2 VAL 10 1HG2 VAL 10 5.026 -9.187 2.357 83 2HG2 VAL 10 2HG2 VAL 10 4.346 -10.146 3.679 84 3HG2 VAL 10 3HG2 VAL 10 5.710 -10.775 2.755 85 H GLY 11 H GLY 11 0.651 -11.781 2.377 86 1HA GLY 11 1HA GLY 11 -0.556 -12.019 4.300 87 2HA GLY 11 2HA GLY 11 0.458 -10.806 5.089 88 H ASN 12 H ASN 12 -0.031 -8.545 3.493 89 HA ASN 12 HA ASN 12 -1.380 -6.814 3.183 90 1HB ASN 12 1HB ASN 12 -2.284 -7.820 1.396 91 2HB ASN 12 2HB ASN 12 -3.130 -9.060 2.301 92 1HD2 ASN 12 2HD2 ASN 12 -3.379 -5.429 2.547 93 2HD2 ASN 12 1HD2 ASN 12 -5.110 -5.469 2.330 94 H ILE 13 H ILE 13 -2.272 -8.890 5.779 95 HA ILE 13 HA ILE 13 -4.251 -7.391 7.012 96 HB ILE 13 HB ILE 13 -3.463 -8.452 9.102 97 1HG1 ILE 13 1HG1 ILE 13 -1.074 -9.415 7.453 98 2HG1 ILE 13 2HG1 ILE 13 -1.021 -8.233 8.759 99 1HG2 ILE 13 1HG2 ILE 13 -3.896 -10.724 8.442 100 2HG2 ILE 13 2HG2 ILE 13 -4.867 -9.665 7.434 101 3HG2 ILE 13 3HG2 ILE 13 -3.397 -10.407 6.771 102 1HD1 ILE 13 1HD1 ILE 13 -1.675 -11.193 8.999 103 2HD1 ILE 13 2HD1 ILE 13 -0.266 -10.331 9.629 104 3HD1 ILE 13 3HD1 ILE 13 -1.869 -10.027 10.331 105 H CYS 14 H CYS 14 -1.376 -5.816 6.202 106 HA CYS 14 HA CYS 14 -1.630 -4.005 8.535 107 1HB CYS 14 1HB CYS 14 0.864 -4.165 8.944 108 2HB CYS 14 2HB CYS 14 -0.115 -5.549 9.447 109 HG CYS 14 HG CYS 14 2.127 -6.471 8.567 110 H ARG 15 H ARG 15 0.958 -4.334 5.991 111 HA ARG 15 HA ARG 15 1.200 -1.491 6.013 112 1HB ARG 15 1HB ARG 15 2.265 -3.554 4.053 113 2HB ARG 15 2HB ARG 15 2.710 -1.838 4.040 114 1HG ARG 15 1HG ARG 15 3.474 -2.148 6.456 115 2HG ARG 15 2HG ARG 15 3.301 -3.890 6.213 116 1HD ARG 15 1HD ARG 15 5.111 -2.003 4.634 117 2HD ARG 15 2HD ARG 15 5.615 -3.142 5.882 118 HE ARG 15 HE ARG 15 4.199 -4.315 3.576 119 1HH1 ARG 15 1HH2 ARG 15 7.426 -3.549 4.983 120 2HH1 ARG 15 2HH2 ARG 15 8.220 -4.670 3.902 121 1HH2 ARG 15 1HH1 ARG 15 5.480 -5.811 2.170 122 2HH2 ARG 15 2HH1 ARG 15 7.180 -5.907 2.511 123 H SER 16 H SER 16 -0.207 -3.610 3.411 124 HA SER 16 HA SER 16 -0.637 -1.440 1.690 125 1HB SER 16 1HB SER 16 -2.412 -3.083 0.669 126 2HB SER 16 2HB SER 16 -0.676 -3.355 0.544 127 HG SER 16 HG SER 16 -1.718 -5.227 1.128 128 HA PRO 17 HA PRO 17 -5.038 -0.785 3.298 129 1HB PRO 17 1HB PRO 17 -5.750 -1.473 5.862 130 2HB PRO 17 2HB PRO 17 -5.989 -2.498 4.416 131 1HG PRO 17 1HG PRO 17 -3.727 -2.619 6.417 132 2HG PRO 17 2HG PRO 17 -4.706 -3.973 5.780 133 1HD PRO 17 1HD PRO 17 -2.296 -3.429 4.724 134 2HD PRO 17 2HD PRO 17 -3.654 -3.865 3.661 135 H THR 18 H THR 18 -2.296 -0.578 5.613 136 HA THR 18 HA THR 18 -3.209 1.859 6.872 137 HB THR 18 HB THR 18 -0.394 0.722 6.528 138 HG1 THR 18 1HG THR 18 -1.497 -0.735 7.669 139 1HG2 THR 18 1HG2 THR 18 -0.320 3.091 7.209 140 2HG2 THR 18 2HG2 THR 18 -1.490 2.767 8.508 141 3HG2 THR 18 3HG2 THR 18 0.136 2.038 8.552 142 H ALA 19 H ALA 19 -0.948 1.149 4.133 143 HA ALA 19 HA ALA 19 -0.462 3.845 3.371 144 1HB ALA 19 1HB ALA 19 -0.402 1.157 1.983 145 2HB ALA 19 2HB ALA 19 -0.195 2.649 1.052 146 3HB ALA 19 3HB ALA 19 0.944 2.254 2.374 147 H GLU 20 H GLU 20 -2.970 1.505 2.243 148 HA GLU 20 HA GLU 20 -4.117 3.165 0.288 149 1HB GLU 20 1HB GLU 20 -4.600 0.800 0.433 150 2HB GLU 20 2HB GLU 20 -5.306 0.991 2.039 151 1HG GLU 20 1HG GLU 20 -6.744 2.736 0.229 152 2HG GLU 20 2HG GLU 20 -6.565 1.179 -0.540 153 H ARG 21 H ARG 21 -5.069 2.780 3.787 154 HA ARG 21 HA ARG 21 -7.093 4.785 3.529 155 1HB ARG 21 1HB ARG 21 -5.711 3.501 5.897 156 2HB ARG 21 2HB ARG 21 -6.890 4.801 6.106 157 1HG ARG 21 1HG ARG 21 -7.485 2.184 4.667 158 2HG ARG 21 2HG ARG 21 -7.836 2.542 6.358 159 1HD ARG 21 1HD ARG 21 -9.107 4.641 5.422 160 2HD ARG 21 2HD ARG 21 -9.148 3.772 3.886 161 HE ARG 21 HE ARG 21 -10.516 3.156 6.418 162 1HH1 ARG 21 1HH2 ARG 21 -9.580 1.686 3.263 163 2HH1 ARG 21 2HH2 ARG 21 -10.730 0.411 3.439 164 1HH2 ARG 21 1HH1 ARG 21 -11.826 1.437 6.667 165 2HH2 ARG 21 2HH1 ARG 21 -12.077 0.263 5.412 166 H LEU 22 H LEU 22 -3.619 5.064 4.403 167 HA LEU 22 HA LEU 22 -3.724 7.802 5.223 168 1HB LEU 22 1HB LEU 22 -1.601 6.058 3.934 169 2HB LEU 22 2HB LEU 22 -1.318 7.774 4.156 170 HG LEU 22 HG LEU 22 -2.116 6.024 6.507 171 1HD1 LEU 22 1HD1 LEU 22 -0.121 5.007 5.555 172 2HD1 LEU 22 2HD1 LEU 22 0.673 6.582 5.409 173 3HD1 LEU 22 3HD1 LEU 22 0.334 5.894 7.017 174 1HD2 LEU 22 1HD2 LEU 22 -0.932 7.825 7.767 175 2HD2 LEU 22 2HD2 LEU 22 -0.656 8.701 6.252 176 3HD2 LEU 22 3HD2 LEU 22 -2.308 8.456 6.857 177 H LEU 23 H LEU 23 -3.194 6.337 1.973 178 HA LEU 23 HA LEU 23 -3.123 8.798 0.519 179 1HB LEU 23 1HB LEU 23 -3.925 5.963 -0.247 180 2HB LEU 23 2HB LEU 23 -3.818 7.275 -1.415 181 HG LEU 23 HG LEU 23 -1.439 6.475 0.309 182 1HD1 LEU 23 1HD1 LEU 23 -1.871 4.470 -0.837 183 2HD1 LEU 23 2HD1 LEU 23 -2.425 5.314 -2.318 184 3HD1 LEU 23 3HD1 LEU 23 -0.714 5.314 -1.887 185 1HD2 LEU 23 1HD2 LEU 23 -0.163 7.545 -1.478 186 2HD2 LEU 23 2HD2 LEU 23 -1.658 7.976 -2.334 187 3HD2 LEU 23 3HD2 LEU 23 -1.284 8.698 -0.750 188 H GLN 24 H GLN 24 -5.830 6.653 1.450 189 HA GLN 24 HA GLN 24 -7.833 7.986 -0.037 190 1HB GLN 24 1HB GLN 24 -7.858 5.649 1.025 191 2HB GLN 24 2HB GLN 24 -8.147 6.444 2.574 192 1HG GLN 24 1HG GLN 24 -10.211 5.602 1.669 193 2HG GLN 24 2HG GLN 24 -10.255 7.362 1.704 194 1HE2 GLN 24 2HE2 GLN 24 -11.982 7.194 0.156 195 2HE2 GLN 24 1HE2 GLN 24 -11.592 7.063 -1.559 196 H ARG 25 H ARG 25 -6.618 8.498 3.335 197 HA ARG 25 HA ARG 25 -8.472 10.532 4.015 198 1HB ARG 25 1HB ARG 25 -7.219 9.455 5.729 199 2HB ARG 25 2HB ARG 25 -5.669 9.859 4.994 200 1HG ARG 25 1HG ARG 25 -5.814 12.148 5.574 201 2HG ARG 25 2HG ARG 25 -7.542 12.056 5.943 202 1HD ARG 25 1HD ARG 25 -5.428 10.529 7.516 203 2HD ARG 25 2HD ARG 25 -5.965 12.169 7.939 204 HE ARG 25 HE ARG 25 -8.308 10.751 7.662 205 1HH1 ARG 25 1HH2 ARG 25 -5.473 10.435 9.765 206 2HH1 ARG 25 2HH2 ARG 25 -6.335 9.768 11.101 207 1HH2 ARG 25 1HH1 ARG 25 -9.474 9.837 9.350 208 2HH2 ARG 25 2HH1 ARG 25 -8.700 9.276 10.782 209 H TYR 26 H TYR 26 -5.179 10.743 2.513 210 HA TYR 26 HA TYR 26 -5.259 13.569 2.265 211 1HB TYR 26 1HB TYR 26 -3.753 11.486 0.643 212 2HB TYR 26 2HB TYR 26 -3.533 13.221 0.479 213 HD1 TYR 26 HD1 TYR 26 -3.253 14.457 2.956 214 HD2 TYR 26 HD2 TYR 26 -2.002 10.472 1.870 215 HE1 TYR 26 HE1 TYR 26 -1.588 14.485 4.783 216 HE2 TYR 26 HE2 TYR 26 -0.332 10.497 3.692 217 HH TYR 26 HH TYR 26 0.574 11.690 5.445 218 H HIS 27 H HIS 27 -6.531 11.026 0.092 219 HA HIS 27 HA HIS 27 -7.831 13.124 -1.575 220 1HB HIS 27 1HB HIS 27 -6.103 10.812 -2.518 221 2HB HIS 27 2HB HIS 27 -7.210 11.718 -3.549 222 HD1 HIS 27 HD1 HIS 27 -6.591 14.356 -3.998 223 HD2 HIS 27 HD2 HIS 27 -3.776 12.006 -1.924 224 HE1 HIS 27 HE1 HIS 27 -4.427 15.693 -3.956 225 HA PRO 28 HA PRO 28 -10.845 9.774 -0.504 226 1HB PRO 28 1HB PRO 28 -12.960 11.359 0.229 227 2HB PRO 28 2HB PRO 28 -11.639 10.902 1.348 228 1HG PRO 28 1HG PRO 28 -11.924 13.466 -0.248 229 2HG PRO 28 2HG PRO 28 -11.537 13.283 1.493 230 1HD PRO 28 1HD PRO 28 -9.599 13.663 -0.386 231 2HD PRO 28 2HD PRO 28 -9.330 12.598 1.024 232 H GLU 29 H GLU 29 -10.702 12.513 -2.655 233 HA GLU 29 HA GLU 29 -13.072 11.813 -4.208 234 1HB GLU 29 1HB GLU 29 -10.777 13.757 -4.714 235 2HB GLU 29 2HB GLU 29 -12.227 13.612 -5.716 236 1HG GLU 29 1HG GLU 29 -13.639 14.188 -3.739 237 2HG GLU 29 2HG GLU 29 -12.176 14.441 -2.783 238 H LEU 30 H LEU 30 -10.168 10.215 -3.903 239 HA LEU 30 HA LEU 30 -10.131 9.308 -6.746 240 1HB LEU 30 1HB LEU 30 -7.716 9.431 -4.903 241 2HB LEU 30 2HB LEU 30 -7.732 8.926 -6.587 242 HG LEU 30 HG LEU 30 -8.202 11.755 -5.594 243 1HD1 LEU 30 1HD1 LEU 30 -6.001 12.182 -6.575 244 2HD1 LEU 30 2HD1 LEU 30 -5.874 10.892 -5.372 245 3HD1 LEU 30 3HD1 LEU 30 -5.874 10.475 -7.090 246 1HD2 LEU 30 1HD2 LEU 30 -9.459 11.376 -7.690 247 2HD2 LEU 30 2HD2 LEU 30 -8.067 12.430 -7.951 248 3HD2 LEU 30 3HD2 LEU 30 -7.997 10.734 -8.458 249 H LYS 31 H LYS 31 -9.140 6.966 -6.749 250 HA LYS 31 HA LYS 31 -10.530 5.490 -4.540 251 1HB LYS 31 1HB LYS 31 -11.661 5.349 -6.699 252 2HB LYS 31 2HB LYS 31 -10.179 4.788 -7.485 253 1HG LYS 31 1HG LYS 31 -10.179 2.730 -6.214 254 2HG LYS 31 2HG LYS 31 -11.502 3.282 -5.183 255 1HD LYS 31 1HD LYS 31 -11.699 2.772 -8.184 256 2HD LYS 31 2HD LYS 31 -12.176 1.618 -6.948 257 1HE LYS 31 1HE LYS 31 -13.427 4.376 -7.361 258 2HE LYS 31 2HE LYS 31 -14.079 2.859 -7.972 259 1HZ LYS 31 1HZ LYS 31 -13.760 3.520 -5.102 260 2HZ LYS 31 2HZ LYS 31 -15.159 3.477 -5.930 261 3HZ LYS 31 3HZ LYS 31 -14.333 2.100 -5.683 262 H VAL 32 H VAL 32 -9.340 4.105 -3.369 263 HA VAL 32 HA VAL 32 -6.755 3.147 -4.442 264 HB VAL 32 HB VAL 32 -7.050 4.231 -1.615 265 1HG1 VAL 32 1HG1 VAL 32 -5.242 2.549 -2.016 266 2HG1 VAL 32 2HG1 VAL 32 -4.606 3.558 -3.325 267 3HG1 VAL 32 3HG1 VAL 32 -4.582 4.149 -1.656 268 1HG2 VAL 32 1HG2 VAL 32 -5.842 5.685 -4.013 269 2HG2 VAL 32 2HG2 VAL 32 -7.262 6.195 -3.069 270 3HG2 VAL 32 3HG2 VAL 32 -5.680 6.176 -2.314 271 H GLU 33 H GLU 33 -6.453 1.008 -3.991 272 HA GLU 33 HA GLU 33 -8.314 -0.331 -2.059 273 1HB GLU 33 1HB GLU 33 -8.967 -0.859 -4.309 274 2HB GLU 33 2HB GLU 33 -7.298 -1.094 -4.817 275 1HG GLU 33 1HG GLU 33 -8.387 -3.219 -4.753 276 2HG GLU 33 2HG GLU 33 -7.157 -3.186 -3.520 277 H SER 34 H SER 34 -7.429 -2.255 -1.045 278 HA SER 34 HA SER 34 -4.471 -2.493 -1.118 279 1HB SER 34 1HB SER 34 -4.635 -3.070 1.335 280 2HB SER 34 2HB SER 34 -4.860 -1.369 0.914 281 HG SER 34 HG SER 34 -7.009 -1.501 1.336 282 H ALA 35 H ALA 35 -3.719 -4.565 -1.280 283 HA ALA 35 HA ALA 35 -5.402 -6.871 -0.641 284 1HB ALA 35 1HB ALA 35 -6.113 -6.272 -2.984 285 2HB ALA 35 2HB ALA 35 -4.418 -6.437 -3.506 286 3HB ALA 35 3HB ALA 35 -5.315 -7.842 -2.889 287 H GLY 36 H GLY 36 -3.887 -8.933 -1.521 288 1HA GLY 36 1HA GLY 36 -1.057 -8.182 -1.482 289 2HA GLY 36 2HA GLY 36 -1.611 -9.169 -0.128 290 H LEU 37 H LEU 37 0.474 -9.811 -1.796 291 HA LEU 37 HA LEU 37 -0.169 -11.519 -4.012 292 1HB LEU 37 1HB LEU 37 2.244 -11.304 -2.161 293 2HB LEU 37 2HB LEU 37 2.230 -12.327 -3.587 294 HG LEU 37 HG LEU 37 1.756 -9.326 -3.746 295 1HD1 LEU 37 1HD1 LEU 37 3.951 -9.671 -2.757 296 2HD1 LEU 37 2HD1 LEU 37 4.360 -10.874 -3.998 297 3HD1 LEU 37 3HD1 LEU 37 4.134 -9.162 -4.443 298 1HD2 LEU 37 1HD2 LEU 37 2.425 -9.648 -6.107 299 2HD2 LEU 37 2HD2 LEU 37 2.572 -11.396 -5.838 300 3HD2 LEU 37 3HD2 LEU 37 0.990 -10.598 -5.718 301 H GLY 38 H GLY 38 -0.368 -12.046 -0.616 302 1HA GLY 38 1HA GLY 38 -1.094 -14.857 -0.846 303 2HA GLY 38 2HA GLY 38 0.475 -14.566 -0.042 304 H ALA 39 H ALA 39 -2.813 -13.114 -0.180 305 HA ALA 39 HA ALA 39 -2.473 -11.831 2.401 306 1HB ALA 39 1HB ALA 39 -4.720 -10.965 1.972 307 2HB ALA 39 2HB ALA 39 -3.757 -10.826 0.492 308 3HB ALA 39 3HB ALA 39 -4.948 -12.148 0.675 309 H LEU 40 H LEU 40 -4.213 -12.032 4.059 310 HA LEU 40 HA LEU 40 -4.905 -14.893 4.576 311 1HB LEU 40 1HB LEU 40 -4.559 -12.535 6.473 312 2HB LEU 40 2HB LEU 40 -5.316 -14.067 6.895 313 HG LEU 40 HG LEU 40 -3.216 -15.271 6.277 314 1HD1 LEU 40 1HD1 LEU 40 -2.004 -13.673 4.928 315 2HD1 LEU 40 2HD1 LEU 40 -2.045 -12.460 6.234 316 3HD1 LEU 40 3HD1 LEU 40 -1.084 -13.945 6.401 317 1HD2 LEU 40 1HD2 LEU 40 -3.860 -14.796 8.610 318 2HD2 LEU 40 2HD2 LEU 40 -2.107 -14.716 8.419 319 3HD2 LEU 40 3HD2 LEU 40 -3.052 -13.215 8.525 320 H VAL 41 H VAL 41 -6.538 -14.595 2.894 321 HA VAL 41 HA VAL 41 -8.445 -12.678 2.697 322 HB VAL 41 HB VAL 41 -8.997 -15.633 2.289 323 1HG1 VAL 41 1HG1 VAL 41 -10.988 -14.181 2.031 324 2HG1 VAL 41 2HG1 VAL 41 -10.096 -13.135 0.906 325 3HG1 VAL 41 3HG1 VAL 41 -10.467 -14.817 0.470 326 1HG2 VAL 41 1HG2 VAL 41 -8.176 -15.213 -0.057 327 2HG2 VAL 41 2HG2 VAL 41 -7.541 -13.647 0.489 328 3HG2 VAL 41 3HG2 VAL 41 -6.898 -15.166 1.150 329 H GLY 42 H GLY 42 -9.917 -11.802 4.019 330 1HA GLY 42 1HA GLY 42 -11.767 -11.687 5.357 331 2HA GLY 42 2HA GLY 42 -11.797 -13.446 5.463 332 H LYS 43 H LYS 43 -8.693 -12.522 6.501 333 HA LYS 43 HA LYS 43 -9.385 -13.343 9.158 334 1HB LYS 43 1HB LYS 43 -7.347 -13.944 7.921 335 2HB LYS 43 2HB LYS 43 -6.744 -12.288 8.040 336 1HG LYS 43 1HG LYS 43 -7.480 -13.747 10.574 337 2HG LYS 43 2HG LYS 43 -6.045 -14.288 9.723 338 1HD LYS 43 1HD LYS 43 -4.853 -12.336 10.039 339 2HD LYS 43 2HD LYS 43 -6.268 -11.322 10.227 340 1HE LYS 43 1HE LYS 43 -5.220 -13.316 12.284 341 2HE LYS 43 2HE LYS 43 -5.054 -11.558 12.332 342 1HZ LYS 43 1HZ LYS 43 -6.881 -12.024 13.686 343 2HZ LYS 43 2HZ LYS 43 -7.594 -11.551 12.275 344 3HZ LYS 43 3HZ LYS 43 -7.520 -13.127 12.669 345 H GLY 44 H GLY 44 -9.523 -10.147 7.860 346 1HA GLY 44 1HA GLY 44 -9.964 -8.165 9.039 347 2HA GLY 44 2HA GLY 44 -9.509 -8.942 10.550 348 H ALA 45 H ALA 45 -8.461 -6.420 9.932 349 HA ALA 45 HA ALA 45 -5.723 -6.732 8.948 350 1HB ALA 45 1HB ALA 45 -5.438 -4.421 9.856 351 2HB ALA 45 2HB ALA 45 -6.765 -4.569 8.695 352 3HB ALA 45 3HB ALA 45 -7.120 -4.467 10.427 353 H ASP 46 H ASP 46 -3.859 -6.354 10.342 354 HA ASP 46 HA ASP 46 -3.781 -8.146 12.577 355 1HB ASP 46 1HB ASP 46 -1.891 -7.726 11.042 356 2HB ASP 46 2HB ASP 46 -1.816 -6.044 11.555 357 HA PRO 47 HA PRO 47 -5.312 -5.235 15.540 358 1HB PRO 47 1HB PRO 47 -4.371 -6.237 17.939 359 2HB PRO 47 2HB PRO 47 -5.721 -6.943 17.000 360 1HG PRO 47 1HG PRO 47 -2.806 -7.780 16.989 361 2HG PRO 47 2HG PRO 47 -4.259 -8.823 17.131 362 1HD PRO 47 1HD PRO 47 -2.999 -8.487 14.760 363 2HD PRO 47 2HD PRO 47 -4.786 -8.547 14.832 364 H THR 48 H THR 48 -1.821 -5.777 15.306 365 HA THR 48 HA THR 48 -1.135 -3.545 17.071 366 HB THR 48 HB THR 48 0.864 -4.448 15.082 367 HG1 THR 48 1HG THR 48 -0.111 -6.336 15.258 368 1HG2 THR 48 1HG2 THR 48 2.284 -4.684 17.089 369 2HG2 THR 48 2HG2 THR 48 1.475 -3.109 17.032 370 3HG2 THR 48 3HG2 THR 48 0.872 -4.374 18.128 371 H ALA 49 H ALA 49 -1.440 -4.218 13.541 372 HA ALA 49 HA ALA 49 -0.656 -1.617 12.648 373 1HB ALA 49 1HB ALA 49 -2.564 -3.650 11.396 374 2HB ALA 49 2HB ALA 49 -1.835 -2.256 10.570 375 3HB ALA 49 3HB ALA 49 -0.809 -3.582 11.157 376 H ILE 50 H ILE 50 -3.919 -3.044 13.312 377 HA ILE 50 HA ILE 50 -5.434 -0.747 12.963 378 HB ILE 50 HB ILE 50 -5.816 -2.952 14.979 379 1HG1 ILE 50 1HG1 ILE 50 -7.212 -2.516 12.286 380 2HG1 ILE 50 2HG1 ILE 50 -5.829 -3.574 12.484 381 1HG2 ILE 50 1HG2 ILE 50 -7.147 -0.982 15.675 382 2HG2 ILE 50 2HG2 ILE 50 -7.810 -0.837 14.036 383 3HG2 ILE 50 3HG2 ILE 50 -8.221 -2.222 15.073 384 1HD1 ILE 50 1HD1 ILE 50 -7.129 -4.933 14.155 385 2HD1 ILE 50 2HD1 ILE 50 -8.562 -3.951 13.770 386 3HD1 ILE 50 3HD1 ILE 50 -7.812 -4.939 12.524 387 H SER 51 H SER 51 -3.846 -1.827 16.054 388 HA SER 51 HA SER 51 -4.703 0.295 17.631 389 1HB SER 51 1HB SER 51 -3.609 -1.765 18.457 390 2HB SER 51 2HB SER 51 -2.073 -1.243 17.747 391 HG SER 51 HG SER 51 -3.426 -0.316 20.012 392 H VAL 52 H VAL 52 -1.588 0.077 15.787 393 HA VAL 52 HA VAL 52 -0.697 2.657 16.563 394 HB VAL 52 HB VAL 52 0.011 0.777 14.280 395 1HG1 VAL 52 1HG1 VAL 52 2.052 2.054 13.899 396 2HG1 VAL 52 2HG1 VAL 52 0.648 3.040 13.518 397 3HG1 VAL 52 3HG1 VAL 52 1.520 3.315 15.042 398 1HG2 VAL 52 1HG2 VAL 52 1.408 1.560 16.888 399 2HG2 VAL 52 2HG2 VAL 52 0.573 0.025 16.576 400 3HG2 VAL 52 3HG2 VAL 52 2.048 0.427 15.690 401 H ALA 53 H ALA 53 -2.817 1.661 13.811 402 HA ALA 53 HA ALA 53 -2.501 4.340 12.639 403 1HB ALA 53 1HB ALA 53 -4.018 1.858 11.844 404 2HB ALA 53 2HB ALA 53 -4.001 3.356 10.885 405 3HB ALA 53 3HB ALA 53 -2.506 2.453 11.171 406 H ALA 54 H ALA 54 -5.146 2.536 14.342 407 HA ALA 54 HA ALA 54 -7.025 4.663 14.293 408 1HB ALA 54 1HB ALA 54 -7.589 2.336 14.907 409 2HB ALA 54 2HB ALA 54 -6.604 2.486 16.384 410 3HB ALA 54 3HB ALA 54 -8.060 3.482 16.179 411 H GLU 55 H GLU 55 -4.083 4.184 16.355 412 HA GLU 55 HA GLU 55 -4.599 6.164 18.239 413 1HB GLU 55 1HB GLU 55 -2.571 4.634 18.007 414 2HB GLU 55 2HB GLU 55 -1.920 5.808 16.851 415 1HG GLU 55 1HG GLU 55 -2.018 7.562 18.612 416 2HG GLU 55 2HG GLU 55 -2.638 6.364 19.755 417 H HIS 56 H HIS 56 -3.811 6.566 14.808 418 HA HIS 56 HA HIS 56 -3.863 9.532 15.001 419 1HB HIS 56 1HB HIS 56 -3.191 7.636 12.725 420 2HB HIS 56 2HB HIS 56 -3.129 9.398 12.632 421 HD1 HIS 56 HD1 HIS 56 -1.223 10.582 14.360 422 HD2 HIS 56 HD2 HIS 56 -1.018 6.442 13.631 423 HE1 HIS 56 HE1 HIS 56 1.089 9.838 15.116 424 H GLN 57 H GLN 57 -6.168 7.495 15.292 425 HA GLN 57 HA GLN 57 -8.299 7.186 14.671 426 1HB GLN 57 1HB GLN 57 -8.145 10.105 13.838 427 2HB GLN 57 2HB GLN 57 -9.617 9.209 14.194 428 1HG GLN 57 1HG GLN 57 -7.412 9.717 16.249 429 2HG GLN 57 2HG GLN 57 -8.823 10.731 16.020 430 1HE2 GLN 57 2HE2 GLN 57 -7.850 7.344 16.939 431 2HE2 GLN 57 1HE2 GLN 57 -9.290 7.067 17.880 432 H LEU 58 H LEU 58 -6.347 6.375 12.660 433 HA LEU 58 HA LEU 58 -7.613 7.026 10.076 434 1HB LEU 58 1HB LEU 58 -5.072 6.584 10.455 435 2HB LEU 58 2HB LEU 58 -5.546 4.898 10.679 436 HG LEU 58 HG LEU 58 -6.659 5.035 8.372 437 1HD1 LEU 58 1HD1 LEU 58 -5.722 6.800 6.861 438 2HD1 LEU 58 2HD1 LEU 58 -6.750 7.480 8.114 439 3HD1 LEU 58 3HD1 LEU 58 -4.981 7.589 8.260 440 1HD2 LEU 58 1HD2 LEU 58 -4.634 3.800 8.659 441 2HD2 LEU 58 2HD2 LEU 58 -4.416 4.788 7.208 442 3HD2 LEU 58 3HD2 LEU 58 -3.647 5.287 8.715 443 H SER 59 H SER 59 -9.268 5.741 9.242 444 HA SER 59 HA SER 59 -10.244 3.680 11.039 445 1HB SER 59 1HB SER 59 -12.309 4.031 9.456 446 2HB SER 59 2HB SER 59 -11.820 5.338 10.541 447 HG SER 59 HG SER 59 -12.211 6.085 8.412 448 H LEU 60 H LEU 60 -8.247 2.391 10.188 449 HA LEU 60 HA LEU 60 -8.902 0.772 7.785 450 1HB LEU 60 1HB LEU 60 -6.831 -0.310 8.099 451 2HB LEU 60 2HB LEU 60 -6.497 1.399 8.346 452 HG LEU 60 HG LEU 60 -6.734 -0.780 10.486 453 1HD1 LEU 60 1HD1 LEU 60 -4.372 0.865 9.498 454 2HD1 LEU 60 2HD1 LEU 60 -4.340 -0.342 10.800 455 3HD1 LEU 60 3HD1 LEU 60 -4.685 -0.843 9.143 456 1HD2 LEU 60 1HD2 LEU 60 -5.967 1.017 12.087 457 2HD2 LEU 60 2HD2 LEU 60 -6.275 2.215 10.826 458 3HD2 LEU 60 3HD2 LEU 60 -7.590 1.237 11.534 459 H GLU 61 H GLU 61 -10.037 1.067 10.854 460 HA GLU 61 HA GLU 61 -9.635 -1.302 12.208 461 1HB GLU 61 1HB GLU 61 -12.119 0.458 12.215 462 2HB GLU 61 2HB GLU 61 -11.692 -0.716 13.463 463 1HG GLU 61 1HG GLU 61 -9.631 0.558 13.977 464 2HG GLU 61 2HG GLU 61 -10.038 1.743 12.736 465 H GLY 62 H GLY 62 -11.983 -0.803 9.566 466 1HA GLY 62 1HA GLY 62 -13.173 -3.475 10.077 467 2HA GLY 62 2HA GLY 62 -13.853 -2.176 9.098 468 H HIS 63 H HIS 63 -10.456 -2.630 8.483 469 HA HIS 63 HA HIS 63 -10.960 -3.613 5.806 470 1HB HIS 63 1HB HIS 63 -9.018 -2.176 6.284 471 2HB HIS 63 2HB HIS 63 -8.384 -3.374 7.415 472 HD1 HIS 63 HD1 HIS 63 -8.896 -2.905 3.605 473 HD2 HIS 63 HD2 HIS 63 -7.043 -5.451 6.397 474 HE1 HIS 63 HE1 HIS 63 -7.535 -4.574 2.262 475 H CYS 64 H CYS 64 -10.583 -5.665 5.014 476 HA CYS 64 HA CYS 64 -9.785 -7.818 6.879 477 1HB CYS 64 1HB CYS 64 -12.229 -7.816 5.054 478 2HB CYS 64 2HB CYS 64 -11.506 -9.292 5.711 479 HG CYS 64 HG CYS 64 -13.682 -8.688 7.045 480 H ALA 65 H ALA 65 -8.066 -8.777 5.982 481 HA ALA 65 HA ALA 65 -7.026 -7.917 3.532 482 1HB ALA 65 1HB ALA 65 -5.356 -9.759 3.868 483 2HB ALA 65 2HB ALA 65 -5.607 -8.753 5.298 484 3HB ALA 65 3HB ALA 65 -6.345 -10.365 5.210 485 H ARG 66 H ARG 66 -6.506 -9.130 1.593 486 HA ARG 66 HA ARG 66 -8.310 -11.262 0.726 487 1HB ARG 66 1HB ARG 66 -9.380 -9.753 -1.018 488 2HB ARG 66 2HB ARG 66 -9.939 -9.563 0.638 489 1HG ARG 66 1HG ARG 66 -8.500 -7.513 0.881 490 2HG ARG 66 2HG ARG 66 -8.045 -7.667 -0.829 491 1HD ARG 66 1HD ARG 66 -10.370 -7.411 -1.511 492 2HD ARG 66 2HD ARG 66 -10.929 -7.478 0.161 493 HE ARG 66 HE ARG 66 -9.765 -5.208 -1.274 494 1HH1 ARG 66 1HH2 ARG 66 -10.429 -6.440 2.049 495 2HH1 ARG 66 2HH2 ARG 66 -10.919 -4.889 2.612 496 1HH2 ARG 66 1HH1 ARG 66 -10.019 -3.179 -0.356 497 2HH2 ARG 66 2HH1 ARG 66 -10.573 -2.979 1.276 498 H GLN 67 H GLN 67 -7.477 -12.202 -1.170 499 HA GLN 67 HA GLN 67 -4.711 -11.474 -1.697 500 1HB GLN 67 1HB GLN 67 -5.755 -13.897 -1.555 501 2HB GLN 67 2HB GLN 67 -6.250 -13.580 -3.223 502 1HG GLN 67 1HG GLN 67 -3.691 -12.900 -3.532 503 2HG GLN 67 2HG GLN 67 -3.459 -13.793 -2.039 504 1HE2 GLN 67 2HE2 GLN 67 -4.207 -13.941 -5.453 505 2HE2 GLN 67 1HE2 GLN 67 -4.117 -15.689 -5.626 506 H ILE 68 H ILE 68 -3.841 -10.668 -3.481 507 HA ILE 68 HA ILE 68 -5.552 -9.191 -5.307 508 HB ILE 68 HB ILE 68 -3.273 -8.445 -4.585 509 1HG1 ILE 68 1HG1 ILE 68 -3.516 -8.772 -7.602 510 2HG1 ILE 68 2HG1 ILE 68 -4.516 -7.665 -6.654 511 1HG2 ILE 68 1HG2 ILE 68 -2.107 -10.430 -6.570 512 2HG2 ILE 68 2HG2 ILE 68 -1.254 -9.392 -5.413 513 3HG2 ILE 68 3HG2 ILE 68 -2.185 -10.786 -4.848 514 1HD1 ILE 68 1HD1 ILE 68 -2.549 -6.472 -5.880 515 2HD1 ILE 68 2HD1 ILE 68 -1.480 -7.561 -6.793 516 3HD1 ILE 68 3HD1 ILE 68 -2.605 -6.499 -7.655 517 H SER 69 H SER 69 -5.720 -9.705 -7.530 518 HA SER 69 HA SER 69 -5.029 -12.442 -8.405 519 1HB SER 69 1HB SER 69 -7.286 -12.814 -9.208 520 2HB SER 69 2HB SER 69 -7.384 -12.381 -7.485 521 HG SER 69 HG SER 69 -8.910 -11.236 -8.707 522 H ARG 70 H ARG 70 -5.177 -12.493 -10.896 523 HA ARG 70 HA ARG 70 -3.876 -10.192 -11.978 524 1HB ARG 70 1HB ARG 70 -3.820 -12.632 -12.772 525 2HB ARG 70 2HB ARG 70 -5.350 -12.309 -13.599 526 1HG ARG 70 1HG ARG 70 -4.243 -10.550 -14.958 527 2HG ARG 70 2HG ARG 70 -2.745 -10.766 -14.025 528 1HD ARG 70 1HD ARG 70 -2.728 -13.187 -14.742 529 2HD ARG 70 2HD ARG 70 -4.081 -12.821 -15.834 530 HE ARG 70 HE ARG 70 -2.142 -10.936 -16.466 531 1HH1 ARG 70 1HH2 ARG 70 -2.328 -14.500 -16.511 532 2HH1 ARG 70 2HH2 ARG 70 -1.094 -14.678 -17.701 533 1HH2 ARG 70 1HH1 ARG 70 -0.447 -11.174 -17.865 534 2HH2 ARG 70 2HH1 ARG 70 -0.030 -12.719 -18.577 535 H ARG 71 H ARG 71 -7.323 -11.143 -11.857 536 HA ARG 71 HA ARG 71 -8.253 -9.065 -13.581 537 1HB ARG 71 1HB ARG 71 -9.628 -11.019 -13.007 538 2HB ARG 71 2HB ARG 71 -9.612 -10.577 -11.299 539 1HG ARG 71 1HG ARG 71 -11.749 -10.021 -12.353 540 2HG ARG 71 2HG ARG 71 -10.941 -8.581 -11.743 541 1HD ARG 71 1HD ARG 71 -10.142 -8.103 -14.113 542 2HD ARG 71 2HD ARG 71 -11.058 -9.512 -14.648 543 HE ARG 71 HE ARG 71 -13.023 -8.345 -14.439 544 1HH1 ARG 71 1HH2 ARG 71 -10.428 -6.412 -12.922 545 2HH1 ARG 71 2HH2 ARG 71 -11.468 -5.032 -12.668 546 1HH2 ARG 71 1HH1 ARG 71 -14.321 -6.468 -14.139 547 2HH2 ARG 71 2HH1 ARG 71 -13.664 -5.051 -13.412 548 H LEU 72 H LEU 72 -7.688 -9.139 -9.983 549 HA LEU 72 HA LEU 72 -8.519 -6.437 -9.598 550 1HB LEU 72 1HB LEU 72 -6.945 -8.444 -8.038 551 2HB LEU 72 2HB LEU 72 -6.527 -6.750 -7.765 552 HG LEU 72 HG LEU 72 -8.896 -6.216 -7.376 553 1HD1 LEU 72 1HD1 LEU 72 -9.329 -9.227 -7.277 554 2HD1 LEU 72 2HD1 LEU 72 -10.512 -7.985 -6.824 555 3HD1 LEU 72 3HD1 LEU 72 -9.991 -8.129 -8.507 556 1HD2 LEU 72 1HD2 LEU 72 -7.314 -6.611 -5.504 557 2HD2 LEU 72 2HD2 LEU 72 -8.956 -7.105 -5.078 558 3HD2 LEU 72 3HD2 LEU 72 -7.751 -8.337 -5.503 559 H CYS 73 H CYS 73 -5.302 -7.833 -10.506 560 HA CYS 73 HA CYS 73 -3.902 -5.405 -10.322 561 1HB CYS 73 1HB CYS 73 -3.491 -7.629 -12.399 562 2HB CYS 73 2HB CYS 73 -2.327 -6.364 -12.000 563 HG CYS 73 HG CYS 73 -3.598 -8.633 -9.939 564 H ARG 74 H ARG 74 -5.769 -6.737 -13.106 565 HA ARG 74 HA ARG 74 -5.318 -4.479 -14.826 566 1HB ARG 74 1HB ARG 74 -7.518 -6.593 -14.743 567 2HB ARG 74 2HB ARG 74 -7.299 -5.444 -16.067 568 1HG ARG 74 1HG ARG 74 -5.121 -6.357 -16.628 569 2HG ARG 74 2HG ARG 74 -5.125 -7.406 -15.204 570 1HD ARG 74 1HD ARG 74 -7.153 -8.567 -16.082 571 2HD ARG 74 2HD ARG 74 -7.040 -7.583 -17.560 572 HE ARG 74 HE ARG 74 -4.516 -8.815 -17.129 573 1HH1 ARG 74 1HH1 ARG 74 -7.818 -9.859 -17.992 574 2HH1 ARG 74 2HH1 ARG 74 -7.272 -11.273 -18.816 575 1HH2 ARG 74 1HH2 ARG 74 -3.836 -10.541 -18.152 576 2HH2 ARG 74 2HH2 ARG 74 -4.895 -11.701 -18.944 577 H ASN 75 H ASN 75 -7.513 -4.933 -12.111 578 HA ASN 75 HA ASN 75 -9.545 -3.157 -12.985 579 1HB ASN 75 1HB ASN 75 -9.639 -4.985 -11.138 580 2HB ASN 75 2HB ASN 75 -8.925 -3.785 -10.083 581 1HD2 ASN 75 2HD2 ASN 75 -10.476 -2.544 -8.945 582 2HD2 ASN 75 1HD2 ASN 75 -12.108 -2.292 -9.505 583 H TYR 76 H TYR 76 -6.405 -2.411 -11.688 584 HA TYR 76 HA TYR 76 -7.283 0.400 -11.174 585 1HB TYR 76 1HB TYR 76 -5.144 -1.110 -9.682 586 2HB TYR 76 2HB TYR 76 -5.606 0.568 -9.418 587 HD1 TYR 76 HD1 TYR 76 -6.640 -2.947 -9.025 588 HD2 TYR 76 HD2 TYR 76 -7.623 1.124 -8.129 589 HE1 TYR 76 HE1 TYR 76 -8.502 -3.739 -7.609 590 HE2 TYR 76 HE2 TYR 76 -9.546 0.383 -6.775 591 HH TYR 76 HH TYR 76 -10.831 -1.458 -6.072 592 H ASP 77 H ASP 77 -5.304 1.964 -11.387 593 HA ASP 77 HA ASP 77 -4.000 1.180 -13.975 594 1HB ASP 77 1HB ASP 77 -5.926 2.741 -14.138 595 2HB ASP 77 2HB ASP 77 -5.040 3.897 -13.138 596 H LEU 78 H LEU 78 -3.249 1.990 -10.786 597 HA LEU 78 HA LEU 78 -0.443 2.193 -11.569 598 1HB LEU 78 1HB LEU 78 -1.502 4.582 -11.185 599 2HB LEU 78 2HB LEU 78 -1.536 4.132 -9.497 600 HG LEU 78 HG LEU 78 0.377 5.518 -10.056 601 1HD1 LEU 78 1HD1 LEU 78 0.644 3.760 -8.276 602 2HD1 LEU 78 2HD1 LEU 78 1.509 2.761 -9.473 603 3HD1 LEU 78 3HD1 LEU 78 2.149 4.332 -9.014 604 1HD2 LEU 78 1HD2 LEU 78 0.582 4.703 -12.453 605 2HD2 LEU 78 2HD2 LEU 78 2.099 4.956 -11.585 606 3HD2 LEU 78 3HD2 LEU 78 1.483 3.307 -11.830 607 H ILE 79 H ILE 79 0.687 0.848 -10.163 608 HA ILE 79 HA ILE 79 -0.925 -0.355 -7.951 609 HB ILE 79 HB ILE 79 0.946 -1.795 -9.854 610 1HG1 ILE 79 1HG1 ILE 79 -0.981 -1.077 -11.193 611 2HG1 ILE 79 2HG1 ILE 79 -0.898 -2.812 -10.994 612 1HG2 ILE 79 1HG2 ILE 79 -0.237 -3.813 -8.914 613 2HG2 ILE 79 2HG2 ILE 79 0.775 -2.932 -7.746 614 3HG2 ILE 79 3HG2 ILE 79 -0.989 -2.753 -7.708 615 1HD1 ILE 79 1HD1 ILE 79 -2.725 -2.799 -9.378 616 2HD1 ILE 79 2HD1 ILE 79 -2.750 -1.020 -9.371 617 3HD1 ILE 79 3HD1 ILE 79 -3.206 -1.912 -10.831 618 H LEU 80 H LEU 80 0.185 -0.558 -6.046 619 HA LEU 80 HA LEU 80 3.021 0.370 -6.048 620 1HB LEU 80 1HB LEU 80 0.812 0.986 -4.060 621 2HB LEU 80 2HB LEU 80 2.516 1.436 -3.904 622 HG LEU 80 HG LEU 80 0.666 2.401 -6.126 623 1HD1 LEU 80 1HD1 LEU 80 0.672 4.555 -5.032 624 2HD1 LEU 80 2HD1 LEU 80 0.085 3.339 -3.890 625 3HD1 LEU 80 3HD1 LEU 80 1.744 3.969 -3.751 626 1HD2 LEU 80 1HD2 LEU 80 3.525 3.204 -5.411 627 2HD2 LEU 80 2HD2 LEU 80 2.995 2.353 -6.881 628 3HD2 LEU 80 3HD2 LEU 80 2.475 4.003 -6.603 629 H THR 81 H THR 81 4.406 -0.467 -4.548 630 HA THR 81 HA THR 81 3.584 -2.907 -3.054 631 HB THR 81 HB THR 81 5.674 -3.959 -4.088 632 HG1 THR 81 1HG THR 81 5.380 -1.740 -5.823 633 1HG2 THR 81 1HG2 THR 81 3.457 -4.695 -4.827 634 2HG2 THR 81 2HG2 THR 81 3.412 -3.394 -6.039 635 3HG2 THR 81 3HG2 THR 81 4.617 -4.694 -6.167 636 H MET 82 H MET 82 5.491 -3.486 -1.453 637 HA MET 82 HA MET 82 6.506 -0.862 -0.486 638 1HB MET 82 1HB MET 82 5.519 -3.404 0.793 639 2HB MET 82 2HB MET 82 6.673 -2.401 1.659 640 1HG MET 82 1HG MET 82 4.394 -1.799 2.279 641 2HG MET 82 2HG MET 82 5.259 -0.472 1.529 642 1HE MET 82 1HE MET 82 1.891 0.709 0.467 643 2HE MET 82 2HE MET 82 2.279 -0.046 2.031 644 3HE MET 82 3HE MET 82 3.445 1.037 1.232 645 H GLU 83 H GLU 83 7.710 -3.863 -1.785 646 HA GLU 83 HA GLU 83 10.475 -3.050 -1.084 647 1HB GLU 83 1HB GLU 83 9.182 -5.758 -0.505 648 2HB GLU 83 2HB GLU 83 10.926 -5.466 -0.492 649 1HG GLU 83 1HG GLU 83 10.699 -3.891 1.375 650 2HG GLU 83 2HG GLU 83 8.937 -4.061 1.341 651 H LYS 84 H LYS 84 12.072 -4.132 -2.503 652 HA LYS 84 HA LYS 84 11.243 -4.286 -5.209 653 1HB LYS 84 1HB LYS 84 13.766 -5.270 -3.802 654 2HB LYS 84 2HB LYS 84 13.489 -5.483 -5.522 655 1HG LYS 84 1HG LYS 84 14.814 -3.601 -5.397 656 2HG LYS 84 2HG LYS 84 13.205 -2.993 -5.769 657 1HD LYS 84 1HD LYS 84 12.943 -2.192 -3.455 658 2HD LYS 84 2HD LYS 84 14.474 -2.972 -2.988 659 1HE LYS 84 1HE LYS 84 15.679 -1.567 -4.648 660 2HE LYS 84 2HE LYS 84 14.175 -0.739 -5.058 661 1HZ LYS 84 1HZ LYS 84 15.331 -0.729 -2.315 662 2HZ LYS 84 2HZ LYS 84 15.662 0.412 -3.436 663 3HZ LYS 84 3HZ LYS 84 14.147 0.264 -2.889 664 H ARG 85 H ARG 85 11.684 -6.957 -2.815 665 HA ARG 85 HA ARG 85 11.227 -9.075 -4.588 666 1HB ARG 85 1HB ARG 85 10.372 -10.342 -2.616 667 2HB ARG 85 2HB ARG 85 11.950 -9.603 -2.391 668 1HG ARG 85 1HG ARG 85 11.071 -7.899 -0.940 669 2HG ARG 85 2HG ARG 85 9.400 -8.321 -1.329 670 1HD ARG 85 1HD ARG 85 9.673 -10.515 -0.248 671 2HD ARG 85 2HD ARG 85 11.363 -10.134 0.130 672 HE ARG 85 HE ARG 85 10.338 -8.098 1.377 673 1HH1 ARG 85 1HH2 ARG 85 9.135 -11.446 1.519 674 2HH1 ARG 85 2HH2 ARG 85 8.329 -11.209 3.027 675 1HH2 ARG 85 1HH1 ARG 85 9.115 -7.739 3.193 676 2HH2 ARG 85 2HH1 ARG 85 8.347 -9.038 4.063 677 H HIS 86 H HIS 86 8.814 -6.787 -3.307 678 HA HIS 86 HA HIS 86 6.561 -8.513 -4.057 679 1HB HIS 86 1HB HIS 86 6.727 -5.586 -3.256 680 2HB HIS 86 2HB HIS 86 5.229 -6.439 -3.620 681 HD1 HIS 86 HD1 HIS 86 7.261 -8.778 -1.608 682 HD2 HIS 86 HD2 HIS 86 4.812 -5.421 -0.983 683 HE1 HIS 86 HE1 HIS 86 6.650 -8.787 0.853 684 H ILE 87 H ILE 87 8.419 -5.775 -5.496 685 HA ILE 87 HA ILE 87 6.707 -5.333 -7.727 686 HB ILE 87 HB ILE 87 9.746 -5.053 -7.542 687 1HG1 ILE 87 1HG1 ILE 87 7.618 -2.905 -7.243 688 2HG1 ILE 87 2HG1 ILE 87 8.436 -3.671 -5.874 689 1HG2 ILE 87 1HG2 ILE 87 8.980 -5.126 -9.899 690 2HG2 ILE 87 2HG2 ILE 87 7.815 -3.832 -9.563 691 3HG2 ILE 87 3HG2 ILE 87 9.563 -3.530 -9.474 692 1HD1 ILE 87 1HD1 ILE 87 9.660 -1.846 -7.964 693 2HD1 ILE 87 2HD1 ILE 87 9.518 -1.607 -6.218 694 3HD1 ILE 87 3HD1 ILE 87 10.635 -2.831 -6.846 695 H GLU 88 H GLU 88 9.558 -7.507 -7.250 696 HA GLU 88 HA GLU 88 9.554 -8.553 -9.865 697 1HB GLU 88 1HB GLU 88 10.500 -9.763 -7.232 698 2HB GLU 88 2HB GLU 88 10.794 -10.501 -8.812 699 1HG GLU 88 1HG GLU 88 11.974 -8.456 -9.565 700 2HG GLU 88 2HG GLU 88 11.727 -7.717 -7.987 701 H ARG 89 H ARG 89 7.948 -9.896 -6.911 702 HA ARG 89 HA ARG 89 6.849 -12.176 -8.250 703 1HB ARG 89 1HB ARG 89 5.978 -10.651 -5.755 704 2HB ARG 89 2HB ARG 89 5.235 -12.163 -6.295 705 1HG ARG 89 1HG ARG 89 7.444 -13.311 -6.122 706 2HG ARG 89 2HG ARG 89 8.177 -11.803 -5.570 707 1HD ARG 89 1HD ARG 89 7.736 -13.220 -3.662 708 2HD ARG 89 2HD ARG 89 6.690 -11.791 -3.587 709 HE ARG 89 HE ARG 89 5.296 -13.883 -4.919 710 1HH1 ARG 89 1HH2 ARG 89 6.533 -13.220 -1.661 711 2HH1 ARG 89 2HH2 ARG 89 5.321 -14.148 -0.858 712 1HH2 ARG 89 1HH1 ARG 89 3.655 -15.090 -3.849 713 2HH2 ARG 89 2HH1 ARG 89 3.649 -15.230 -2.135 714 H LEU 90 H LEU 90 5.508 -8.878 -7.674 715 HA LEU 90 HA LEU 90 2.931 -9.603 -8.615 716 1HB LEU 90 1HB LEU 90 3.433 -7.730 -7.093 717 2HB LEU 90 2HB LEU 90 4.213 -6.856 -8.413 718 HG LEU 90 HG LEU 90 2.112 -6.621 -9.600 719 1HD1 LEU 90 1HD1 LEU 90 -0.043 -7.408 -8.653 720 2HD1 LEU 90 2HD1 LEU 90 0.970 -8.741 -9.167 721 3HD1 LEU 90 3HD1 LEU 90 0.838 -8.355 -7.434 722 1HD2 LEU 90 1HD2 LEU 90 1.860 -6.074 -6.606 723 2HD2 LEU 90 2HD2 LEU 90 2.552 -4.999 -7.839 724 3HD2 LEU 90 3HD2 LEU 90 0.822 -5.376 -7.854 725 H CYS 91 H CYS 91 5.746 -8.053 -10.262 726 HA CYS 91 HA CYS 91 4.389 -7.666 -12.759 727 1HB CYS 91 1HB CYS 91 7.361 -8.057 -12.172 728 2HB CYS 91 2HB CYS 91 6.669 -7.509 -13.712 729 HG CYS 91 HG CYS 91 6.595 -6.144 -10.721 730 H GLU 92 H GLU 92 6.105 -10.507 -11.338 731 HA GLU 92 HA GLU 92 6.165 -12.010 -13.734 732 1HB GLU 92 1HB GLU 92 7.456 -12.467 -11.617 733 2HB GLU 92 2HB GLU 92 5.966 -13.044 -10.875 734 1HG GLU 92 1HG GLU 92 7.211 -14.945 -11.590 735 2HG GLU 92 2HG GLU 92 5.815 -14.819 -12.646 736 H MET 93 H MET 93 3.606 -11.762 -11.163 737 HA MET 93 HA MET 93 1.983 -13.758 -12.512 738 1HB MET 93 1HB MET 93 0.314 -13.361 -10.853 739 2HB MET 93 2HB MET 93 1.889 -13.548 -10.089 740 1HG MET 93 1HG MET 93 2.059 -11.203 -9.663 741 2HG MET 93 2HG MET 93 0.642 -10.823 -10.638 742 1HE MET 93 1HE MET 93 -1.675 -12.668 -9.880 743 2HE MET 93 2HE MET 93 -2.373 -11.827 -8.483 744 3HE MET 93 3HE MET 93 -1.783 -10.893 -9.876 745 H ALA 94 H ALA 94 2.276 -10.265 -12.856 746 HA ALA 94 HA ALA 94 0.109 -10.366 -14.887 747 1HB ALA 94 1HB ALA 94 -0.888 -8.300 -14.011 748 2HB ALA 94 2HB ALA 94 -0.968 -9.597 -12.803 749 3HB ALA 94 3HB ALA 94 0.244 -8.308 -12.639 750 HA PRO 95 HA PRO 95 4.102 -8.337 -16.285 751 1HB PRO 95 1HB PRO 95 3.156 -9.717 -18.797 752 2HB PRO 95 2HB PRO 95 4.831 -9.479 -18.198 753 1HG PRO 95 1HG PRO 95 3.591 -11.872 -17.895 754 2HG PRO 95 2HG PRO 95 4.558 -11.184 -16.550 755 1HD PRO 95 1HD PRO 95 1.558 -11.140 -16.921 756 2HD PRO 95 2HD PRO 95 2.514 -11.493 -15.458 757 H GLU 96 H GLU 96 0.740 -8.266 -17.451 758 HA GLU 96 HA GLU 96 0.837 -6.195 -19.345 759 1HB GLU 96 1HB GLU 96 -1.248 -6.466 -17.115 760 2HB GLU 96 2HB GLU 96 -1.440 -5.701 -18.690 761 1HG GLU 96 1HG GLU 96 -2.416 -7.660 -19.208 762 2HG GLU 96 2HG GLU 96 -0.742 -8.146 -19.531 763 H MET 97 H MET 97 0.962 -6.127 -15.868 764 HA MET 97 HA MET 97 0.904 -3.179 -15.718 765 1HB MET 97 1HB MET 97 1.003 -5.207 -13.450 766 2HB MET 97 2HB MET 97 0.630 -3.486 -13.327 767 1HG MET 97 1HG MET 97 -1.040 -5.642 -14.652 768 2HG MET 97 2HG MET 97 -1.416 -4.751 -13.186 769 1HE MET 97 1HE MET 97 -1.066 -1.752 -13.674 770 2HE MET 97 2HE MET 97 -2.615 -1.291 -14.412 771 3HE MET 97 3HE MET 97 -2.580 -2.451 -13.073 772 H ARG 98 H ARG 98 3.419 -5.094 -16.524 773 HA ARG 98 HA ARG 98 5.335 -4.725 -14.523 774 1HB ARG 98 1HB ARG 98 6.984 -5.336 -16.087 775 2HB ARG 98 2HB ARG 98 5.527 -6.191 -16.568 776 1HG ARG 98 1HG ARG 98 5.163 -4.276 -18.291 777 2HG ARG 98 2HG ARG 98 6.784 -3.726 -17.852 778 1HD ARG 98 1HD ARG 98 7.164 -5.006 -19.748 779 2HD ARG 98 2HD ARG 98 7.577 -6.124 -18.432 780 HE ARG 98 HE ARG 98 4.840 -6.458 -19.011 781 1HH1 ARG 98 1HH2 ARG 98 7.947 -7.054 -20.627 782 2HH1 ARG 98 2HH2 ARG 98 7.317 -8.228 -21.722 783 1HH2 ARG 98 1HH1 ARG 98 3.981 -7.945 -20.526 784 2HH2 ARG 98 2HH1 ARG 98 5.008 -8.775 -21.631 785 H GLY 99 H GLY 99 4.211 -2.314 -16.829 786 1HA GLY 99 1HA GLY 99 6.331 -0.395 -16.044 787 2HA GLY 99 2HA GLY 99 5.167 -0.231 -17.362 788 H LYS 100 H LYS 100 3.545 -1.332 -14.581 789 HA LYS 100 HA LYS 100 2.757 1.428 -13.751 790 1HB LYS 100 1HB LYS 100 0.986 -0.979 -14.333 791 2HB LYS 100 2HB LYS 100 0.437 0.480 -13.492 792 1HG LYS 100 1HG LYS 100 1.050 1.860 -15.459 793 2HG LYS 100 2HG LYS 100 1.538 0.398 -16.336 794 1HD LYS 100 1HD LYS 100 -0.753 -0.482 -16.228 795 2HD LYS 100 2HD LYS 100 -1.264 0.913 -15.252 796 1HE LYS 100 1HE LYS 100 -0.545 2.422 -17.146 797 2HE LYS 100 2HE LYS 100 -0.222 0.981 -18.118 798 1HZ LYS 100 1HZ LYS 100 -2.604 0.413 -17.844 799 2HZ LYS 100 2HZ LYS 100 -2.858 1.833 -17.040 800 3HZ LYS 100 3HZ LYS 100 -2.394 1.840 -18.603 801 H VAL 101 H VAL 101 3.895 -1.677 -12.725 802 HA VAL 101 HA VAL 101 3.060 -1.273 -9.933 803 HB VAL 101 HB VAL 101 4.974 -3.245 -11.253 804 1HG1 VAL 101 1HG1 VAL 101 4.883 -4.472 -9.080 805 2HG1 VAL 101 2HG1 VAL 101 5.665 -2.899 -8.923 806 3HG1 VAL 101 3HG1 VAL 101 3.996 -3.103 -8.367 807 1HG2 VAL 101 1HG2 VAL 101 2.226 -3.773 -10.028 808 2HG2 VAL 101 2HG2 VAL 101 2.521 -3.616 -11.765 809 3HG2 VAL 101 3HG2 VAL 101 3.279 -4.931 -10.870 810 H MET 102 H MET 102 4.322 -0.107 -8.475 811 HA MET 102 HA MET 102 7.195 0.115 -8.934 812 1HB MET 102 1HB MET 102 7.324 2.541 -8.814 813 2HB MET 102 2HB MET 102 6.386 2.051 -10.217 814 1HG MET 102 1HG MET 102 4.282 2.535 -8.950 815 2HG MET 102 2HG MET 102 5.258 3.046 -7.572 816 1HE MET 102 1HE MET 102 4.027 3.743 -11.130 817 2HE MET 102 2HE MET 102 4.746 5.311 -11.566 818 3HE MET 102 3HE MET 102 5.755 3.850 -11.535 819 H LEU 103 H LEU 103 8.184 1.415 -7.006 820 HA LEU 103 HA LEU 103 7.142 0.113 -4.634 821 1HB LEU 103 1HB LEU 103 9.635 0.604 -5.509 822 2HB LEU 103 2HB LEU 103 9.455 2.047 -4.530 823 HG LEU 103 HG LEU 103 8.934 -0.796 -3.502 824 1HD1 LEU 103 1HD1 LEU 103 11.266 -0.576 -4.284 825 2HD1 LEU 103 2HD1 LEU 103 11.467 0.866 -3.263 826 3HD1 LEU 103 3HD1 LEU 103 11.177 -0.720 -2.520 827 1HD2 LEU 103 1HD2 LEU 103 9.375 1.873 -2.095 828 2HD2 LEU 103 2HD2 LEU 103 7.937 0.801 -1.992 829 3HD2 LEU 103 3HD2 LEU 103 9.446 0.316 -1.274 830 H PHE 104 H PHE 104 6.054 1.065 -2.965 831 HA PHE 104 HA PHE 104 4.617 3.425 -3.159 832 1HB PHE 104 1HB PHE 104 4.439 1.399 -1.565 833 2HB PHE 104 2HB PHE 104 5.629 2.200 -0.554 834 HD1 PHE 104 HD1 PHE 104 4.904 4.012 0.930 835 HD2 PHE 104 HD2 PHE 104 2.242 2.379 -2.023 836 HE1 PHE 104 HE1 PHE 104 3.000 5.315 1.897 837 HE2 PHE 104 HE2 PHE 104 0.382 3.656 -1.083 838 HZ PHE 104 HZ PHE 104 0.747 5.182 0.847 839 H GLY 105 H GLY 105 7.833 2.917 -1.661 840 1HA GLY 105 1HA GLY 105 8.079 5.712 -0.835 841 2HA GLY 105 2HA GLY 105 9.251 4.411 -0.601 842 H HIS 106 H HIS 106 7.965 4.964 -3.852 843 HA HIS 106 HA HIS 106 10.340 5.247 -5.223 844 1HB HIS 106 1HB HIS 106 8.335 4.914 -6.425 845 2HB HIS 106 2HB HIS 106 7.543 6.305 -5.687 846 HD1 HIS 106 HD1 HIS 106 10.957 6.386 -7.594 847 HD2 HIS 106 HD2 HIS 106 6.974 7.792 -7.724 848 HE1 HIS 106 HE1 HIS 106 10.823 8.008 -9.549 849 H TRP 107 H TRP 107 8.357 7.976 -3.940 850 HA TRP 107 HA TRP 107 10.012 10.023 -4.881 851 1HB TRP 107 1HB TRP 107 8.405 10.171 -2.324 852 2HB TRP 107 2HB TRP 107 8.710 11.450 -3.493 853 HD1 TRP 107 HD1 TRP 107 6.304 8.724 -2.609 854 HE1 TRP 107 HE1 TRP 107 4.408 8.556 -4.281 855 HE3 TRP 107 HE3 TRP 107 8.160 11.830 -6.252 856 HZ2 TRP 107 HZ2 TRP 107 3.719 9.671 -6.868 857 HZ3 TRP 107 HZ3 TRP 107 6.838 12.259 -8.309 858 HH2 TRP 107 HH2 TRP 107 4.594 11.201 -8.604 859 H ASP 108 H ASP 108 10.461 7.934 -2.119 860 HA ASP 108 HA ASP 108 12.590 9.676 -0.971 861 1HB ASP 108 1HB ASP 108 10.687 8.745 0.459 862 2HB ASP 108 2HB ASP 108 11.349 7.137 0.167 863 H ASN 109 H ASN 109 12.868 8.443 -3.541 864 HA ASN 109 HA ASN 109 14.428 7.401 -4.756 865 1HB ASN 109 1HB ASN 109 15.979 8.782 -3.509 866 2HB ASN 109 2HB ASN 109 16.068 7.584 -2.221 867 1HD2 ASN 109 2HD2 ASN 109 18.162 7.009 -2.313 868 2HD2 ASN 109 1HD2 ASN 109 18.962 6.314 -3.707 869 H GLU 110 H GLU 110 12.449 5.871 -4.189 870 HA GLU 110 HA GLU 110 11.644 3.791 -3.852 871 1HB GLU 110 1HB GLU 110 14.330 3.024 -5.066 872 2HB GLU 110 2HB GLU 110 12.988 1.915 -4.810 873 1HG GLU 110 1HG GLU 110 12.700 2.487 -7.005 874 2HG GLU 110 2HG GLU 110 11.518 3.472 -6.152 875 H CYS 111 H CYS 111 12.311 4.809 -1.479 876 HA CYS 111 HA CYS 111 13.998 3.145 0.132 877 1HB CYS 111 1HB CYS 111 13.141 5.450 0.674 878 2HB CYS 111 2HB CYS 111 11.528 4.757 0.910 879 HG CYS 111 HG CYS 111 12.821 5.363 3.153 880 H GLU 112 H GLU 112 13.658 1.016 0.565 881 HA GLU 112 HA GLU 112 11.021 -0.194 0.122 882 1HB GLU 112 1HB GLU 112 12.123 -2.284 0.814 883 2HB GLU 112 2HB GLU 112 12.819 -1.541 -0.607 884 1HG GLU 112 1HG GLU 112 14.065 -1.287 2.167 885 2HG GLU 112 2HG GLU 112 14.414 -2.604 1.062 886 H ILE 113 H ILE 113 9.592 -0.793 1.687 887 HA ILE 113 HA ILE 113 9.904 0.633 4.216 888 HB ILE 113 HB ILE 113 7.598 -1.106 3.292 889 1HG1 ILE 113 1HG1 ILE 113 7.876 0.519 1.518 890 2HG1 ILE 113 2HG1 ILE 113 6.468 0.921 2.475 891 1HG2 ILE 113 1HG2 ILE 113 6.242 0.327 4.788 892 2HG2 ILE 113 2HG2 ILE 113 7.500 -0.545 5.661 893 3HG2 ILE 113 3HG2 ILE 113 7.708 1.179 5.305 894 1HD1 ILE 113 1HD1 ILE 113 9.131 2.350 2.761 895 2HD1 ILE 113 2HD1 ILE 113 7.751 2.904 1.795 896 3HD1 ILE 113 3HD1 ILE 113 7.577 2.754 3.546 897 HA PRO 114 HA PRO 114 11.282 -3.117 6.408 898 1HB PRO 114 1HB PRO 114 9.871 -1.909 8.765 899 2HB PRO 114 2HB PRO 114 11.535 -2.540 8.651 900 1HG PRO 114 1HG PRO 114 11.033 0.148 8.683 901 2HG PRO 114 2HG PRO 114 12.325 -0.550 7.655 902 1HD PRO 114 1HD PRO 114 9.554 0.331 6.840 903 2HD PRO 114 2HD PRO 114 11.116 0.546 5.998 904 H ASP 115 H ASP 115 10.237 -5.042 7.324 905 HA ASP 115 HA ASP 115 7.335 -5.238 6.666 906 1HB ASP 115 1HB ASP 115 8.874 -6.736 5.497 907 2HB ASP 115 2HB ASP 115 9.425 -7.400 7.034 908 HA PRO 116 HA PRO 116 7.268 -5.091 11.177 909 1HB PRO 116 1HB PRO 116 4.649 -4.556 11.626 910 2HB PRO 116 2HB PRO 116 5.752 -3.343 10.920 911 1HG PRO 116 1HG PRO 116 3.842 -5.203 9.458 912 2HG PRO 116 2HG PRO 116 4.024 -3.432 9.252 913 1HD PRO 116 1HD PRO 116 5.280 -5.240 7.618 914 2HD PRO 116 2HD PRO 116 6.049 -3.689 8.068 915 H TYR 117 H TYR 117 5.727 -7.471 9.177 916 HA TYR 117 HA TYR 117 4.157 -9.059 9.603 917 1HB TYR 117 1HB TYR 117 6.319 -10.030 9.141 918 2HB TYR 117 2HB TYR 117 6.745 -10.018 10.846 919 HD1 TYR 117 HD1 TYR 117 3.794 -11.153 8.767 920 HD2 TYR 117 HD2 TYR 117 6.654 -12.159 11.841 921 HE1 TYR 117 HE1 TYR 117 2.727 -13.372 9.025 922 HE2 TYR 117 HE2 TYR 117 5.594 -14.379 12.108 923 HH TYR 117 HH TYR 117 2.750 -15.410 10.161 924 H ARG 118 H ARG 118 5.817 -9.708 12.707 925 HA ARG 118 HA ARG 118 3.310 -9.147 14.200 926 1HB ARG 118 1HB ARG 118 4.845 -11.790 14.121 927 2HB ARG 118 2HB ARG 118 3.737 -11.391 15.415 928 1HG ARG 118 1HG ARG 118 2.977 -11.692 12.484 929 2HG ARG 118 2HG ARG 118 2.685 -12.852 13.772 930 1HD ARG 118 1HD ARG 118 1.434 -10.113 13.443 931 2HD ARG 118 2HD ARG 118 0.628 -11.673 13.329 932 HE ARG 118 HE ARG 118 1.184 -12.001 15.761 933 1HH1 ARG 118 1HH2 ARG 118 0.392 -8.791 14.492 934 2HH1 ARG 118 2HH2 ARG 118 0.610 -7.968 16.004 935 1HH2 ARG 118 1HH1 ARG 118 1.158 -10.972 17.833 936 2HH2 ARG 118 2HH1 ARG 118 0.835 -9.284 17.960 937 H LYS 119 H LYS 119 5.878 -7.755 13.891 938 HA LYS 119 HA LYS 119 7.545 -8.375 16.213 939 1HB LYS 119 1HB LYS 119 7.608 -6.130 14.144 940 2HB LYS 119 2HB LYS 119 8.873 -6.437 15.338 941 1HG LYS 119 1HG LYS 119 9.403 -8.596 14.385 942 2HG LYS 119 2HG LYS 119 8.032 -8.516 13.269 943 1HD LYS 119 1HD LYS 119 9.015 -6.544 12.164 944 2HD LYS 119 2HD LYS 119 10.438 -6.655 13.228 945 1HE LYS 119 1HE LYS 119 10.992 -8.860 12.346 946 2HE LYS 119 2HE LYS 119 9.474 -8.931 11.440 947 1HZ LYS 119 1HZ LYS 119 11.318 -8.327 10.013 948 2HZ LYS 119 2HZ LYS 119 10.229 -7.102 10.083 949 3HZ LYS 119 3HZ LYS 119 11.655 -7.003 10.905 950 H SER 120 H SER 120 8.288 -6.066 17.307 951 HA SER 120 HA SER 120 6.268 -5.529 19.185 952 1HB SER 120 1HB SER 120 8.681 -3.796 18.510 953 2HB SER 120 2HB SER 120 7.850 -3.918 20.072 954 HG SER 120 HG SER 120 9.766 -5.177 20.008 955 H ARG 121 H ARG 121 5.144 -3.536 19.672 956 HA ARG 121 HA ARG 121 3.779 -2.390 17.482 957 1HB ARG 121 1HB ARG 121 3.021 -2.554 19.896 958 2HB ARG 121 2HB ARG 121 4.075 -1.184 20.270 959 1HG ARG 121 1HG ARG 121 2.774 0.233 18.684 960 2HG ARG 121 2HG ARG 121 1.770 -1.170 18.269 961 1HD ARG 121 1HD ARG 121 1.096 -1.335 20.687 962 2HD ARG 121 2HD ARG 121 1.965 0.166 21.005 963 HE ARG 121 HE ARG 121 -0.631 -0.198 19.721 964 1HH1 ARG 121 2HH2 ARG 121 2.047 2.187 20.092 965 2HH1 ARG 121 1HH2 ARG 121 0.946 3.517 19.765 966 1HH2 ARG 121 1HH1 ARG 121 -1.903 1.619 19.323 967 2HH2 ARG 121 2HH1 ARG 121 -1.157 3.227 19.342 968 H GLU 122 H GLU 122 6.765 -1.332 19.111 969 HA GLU 122 HA GLU 122 6.918 1.258 17.980 970 1HB GLU 122 1HB GLU 122 8.302 0.387 19.848 971 2HB GLU 122 2HB GLU 122 9.162 -0.671 18.719 972 1HG GLU 122 1HG GLU 122 10.018 1.300 17.499 973 2HG GLU 122 2HG GLU 122 9.070 2.375 18.530 974 H THR 123 H THR 123 7.734 -1.969 16.604 975 HA THR 123 HA THR 123 9.082 -0.890 14.288 976 HB THR 123 HB THR 123 7.703 -3.594 14.551 977 HG1 THR 123 1HG THR 123 9.694 -4.291 15.428 978 1HG2 THR 123 1HG2 THR 123 8.563 -3.053 12.300 979 2HG2 THR 123 2HG2 THR 123 10.150 -2.644 12.986 980 3HG2 THR 123 3HG2 THR 123 9.551 -4.314 13.049 981 H PHE 124 H PHE 124 5.688 -1.934 15.007 982 HA PHE 124 HA PHE 124 4.661 -1.343 12.405 983 1HB PHE 124 1HB PHE 124 3.392 -1.481 15.155 984 2HB PHE 124 2HB PHE 124 2.486 -0.954 13.749 985 HD1 PHE 124 HD1 PHE 124 1.692 -2.473 12.074 986 HD2 PHE 124 HD2 PHE 124 4.287 -3.872 15.227 987 HE1 PHE 124 HE1 PHE 124 1.127 -4.828 11.516 988 HE2 PHE 124 HE2 PHE 124 3.721 -6.211 14.648 989 HZ PHE 124 HZ PHE 124 2.117 -6.690 12.813 990 H ALA 125 H ALA 125 5.197 0.771 15.290 991 HA ALA 125 HA ALA 125 4.013 3.092 14.124 992 1HB ALA 125 1HB ALA 125 4.473 2.838 16.544 993 2HB ALA 125 2HB ALA 125 6.221 2.934 16.217 994 3HB ALA 125 3HB ALA 125 5.176 4.323 15.873 995 H ALA 126 H ALA 126 7.419 1.894 14.026 996 HA ALA 126 HA ALA 126 8.480 4.103 12.565 997 1HB ALA 126 1HB ALA 126 9.328 1.168 12.524 998 2HB ALA 126 2HB ALA 126 10.290 2.548 11.961 999 3HB ALA 126 3HB ALA 126 9.881 2.399 13.681 1000 H VAL 127 H VAL 127 7.113 0.969 11.404 1001 HA VAL 127 HA VAL 127 7.300 1.553 8.643 1002 HB VAL 127 HB VAL 127 5.490 -0.261 10.281 1003 1HG1 VAL 127 1HG1 VAL 127 5.653 -0.090 7.243 1004 2HG1 VAL 127 2HG1 VAL 127 4.930 -1.429 8.158 1005 3HG1 VAL 127 3HG1 VAL 127 4.214 0.182 8.248 1006 1HG2 VAL 127 1HG2 VAL 127 6.955 -2.015 9.353 1007 2HG2 VAL 127 2HG2 VAL 127 7.822 -0.807 8.391 1008 3HG2 VAL 127 3HG2 VAL 127 7.938 -0.796 10.161 1009 H TYR 128 H TYR 128 4.567 2.214 10.951 1010 HA TYR 128 HA TYR 128 2.854 3.388 9.066 1011 1HB TYR 128 1HB TYR 128 2.217 2.805 11.384 1012 2HB TYR 128 2HB TYR 128 3.205 4.125 12.003 1013 HD1 TYR 128 HD1 TYR 128 2.607 6.546 11.333 1014 HD2 TYR 128 HD2 TYR 128 -0.025 3.195 10.644 1015 HE1 TYR 128 HE1 TYR 128 0.764 8.103 10.858 1016 HE2 TYR 128 HE2 TYR 128 -1.898 4.755 10.230 1017 HH TYR 128 HH TYR 128 -2.574 6.991 10.113 1018 H THR 129 H THR 129 5.488 4.947 11.006 1019 HA THR 129 HA THR 129 4.945 7.578 10.081 1020 HB THR 129 HB THR 129 7.591 6.386 11.028 1021 HG1 THR 129 1HG THR 129 6.027 5.983 12.557 1022 1HG2 THR 129 1HG2 THR 129 6.520 9.247 11.110 1023 2HG2 THR 129 2HG2 THR 129 8.022 8.683 11.880 1024 3HG2 THR 129 3HG2 THR 129 7.872 8.658 10.119 1025 H LEU 130 H LEU 130 7.111 5.009 8.765 1026 HA LEU 130 HA LEU 130 8.180 6.699 6.708 1027 1HB LEU 130 1HB LEU 130 9.265 4.666 7.622 1028 2HB LEU 130 2HB LEU 130 7.997 3.664 6.911 1029 HG LEU 130 HG LEU 130 8.717 4.246 4.664 1030 1HD1 LEU 130 1HD1 LEU 130 10.770 6.063 5.998 1031 2HD1 LEU 130 2HD1 LEU 130 10.805 5.583 4.283 1032 3HD1 LEU 130 3HD1 LEU 130 9.461 6.550 4.879 1033 1HD2 LEU 130 1HD2 LEU 130 10.908 3.164 4.685 1034 2HD2 LEU 130 2HD2 LEU 130 11.076 3.501 6.427 1035 3HD2 LEU 130 3HD2 LEU 130 9.803 2.410 5.843 1036 H LEU 131 H LEU 131 5.371 4.488 6.853 1037 HA LEU 131 HA LEU 131 4.628 4.822 4.080 1038 1HB LEU 131 1HB LEU 131 3.005 4.056 6.544 1039 2HB LEU 131 2HB LEU 131 2.337 4.126 4.920 1040 HG LEU 131 HG LEU 131 4.574 2.255 5.804 1041 1HD1 LEU 131 1HD1 LEU 131 2.890 0.495 5.550 1042 2HD1 LEU 131 2HD1 LEU 131 2.346 1.693 6.732 1043 3HD1 LEU 131 3HD1 LEU 131 1.663 1.696 5.089 1044 1HD2 LEU 131 1HD2 LEU 131 4.169 1.153 3.595 1045 2HD2 LEU 131 2HD2 LEU 131 3.181 2.554 3.122 1046 3HD2 LEU 131 3HD2 LEU 131 4.914 2.745 3.467 1047 H GLU 132 H GLU 132 3.864 6.680 7.083 1048 HA GLU 132 HA GLU 132 1.941 8.385 5.924 1049 1HB GLU 132 1HB GLU 132 2.463 8.176 8.370 1050 2HB GLU 132 2HB GLU 132 3.962 9.074 8.098 1051 1HG GLU 132 1HG GLU 132 2.524 10.961 7.160 1052 2HG GLU 132 2HG GLU 132 1.115 10.077 7.746 1053 H ARG 133 H ARG 133 5.535 8.819 6.185 1054 HA ARG 133 HA ARG 133 5.714 11.233 4.704 1055 1HB ARG 133 1HB ARG 133 7.627 8.847 4.839 1056 2HB ARG 133 2HB ARG 133 7.984 10.338 3.965 1057 1HG ARG 133 1HG ARG 133 7.754 11.635 6.065 1058 2HG ARG 133 2HG ARG 133 7.423 10.127 6.936 1059 1HD ARG 133 1HD ARG 133 9.769 10.788 7.215 1060 2HD ARG 133 2HD ARG 133 9.641 9.258 6.350 1061 HE ARG 133 HE ARG 133 10.224 11.930 5.123 1062 1HH1 ARG 133 1HH2 ARG 133 10.740 8.405 5.084 1063 2HH1 ARG 133 2HH2 ARG 133 11.803 8.440 3.711 1064 1HH2 ARG 133 1HH1 ARG 133 11.715 11.958 3.365 1065 2HH2 ARG 133 2HH1 ARG 133 12.381 10.474 2.752 1066 H SER 134 H SER 134 5.943 7.876 3.498 1067 HA SER 134 HA SER 134 6.327 8.604 0.797 1068 1HB SER 134 1HB SER 134 5.125 6.057 1.934 1069 2HB SER 134 2HB SER 134 5.853 6.249 0.323 1070 HG SER 134 HG SER 134 7.071 6.279 2.888 1071 H ALA 135 H ALA 135 3.281 7.845 2.560 1072 HA ALA 135 HA ALA 135 1.565 8.099 0.307 1073 1HB ALA 135 1HB ALA 135 -0.224 8.305 1.990 1074 2HB ALA 135 2HB ALA 135 0.883 6.980 2.398 1075 3HB ALA 135 3HB ALA 135 0.992 8.522 3.271 1076 H ARG 136 H ARG 136 2.842 10.546 2.657 1077 HA ARG 136 HA ARG 136 1.180 12.667 1.636 1078 1HB ARG 136 1HB ARG 136 2.347 12.612 3.858 1079 2HB ARG 136 2HB ARG 136 3.886 12.883 3.036 1080 1HG ARG 136 1HG ARG 136 3.101 15.047 2.172 1081 2HG ARG 136 2HG ARG 136 1.479 14.760 2.822 1082 1HD ARG 136 1HD ARG 136 4.028 15.040 4.461 1083 2HD ARG 136 2HD ARG 136 2.805 16.303 4.242 1084 HE ARG 136 HE ARG 136 1.220 14.433 5.199 1085 1HH1 ARG 136 1HH2 ARG 136 4.496 15.134 6.420 1086 2HH1 ARG 136 2HH2 ARG 136 4.213 14.351 7.934 1087 1HH2 ARG 136 1HH1 ARG 136 0.885 13.433 7.144 1088 2HH2 ARG 136 2HH1 ARG 136 2.167 13.268 8.316 1089 H GLN 137 H GLN 137 4.470 11.472 0.777 1090 HA GLN 137 HA GLN 137 4.989 13.497 -1.161 1091 1HB GLN 137 1HB GLN 137 5.961 10.624 -0.984 1092 2HB GLN 137 2HB GLN 137 6.612 11.847 -2.076 1093 1HG GLN 137 1HG GLN 137 6.593 12.363 0.914 1094 2HG GLN 137 2HG GLN 137 7.799 11.308 0.192 1095 1HE2 GLN 137 2HE2 GLN 137 9.415 12.811 0.957 1096 2HE2 GLN 137 1HE2 GLN 137 9.718 14.294 0.079 1097 H TRP 138 H TRP 138 3.391 10.252 -1.451 1098 HA TRP 138 HA TRP 138 2.696 10.507 -4.179 1099 1HB TRP 138 1HB TRP 138 1.616 8.952 -1.851 1100 2HB TRP 138 2HB TRP 138 0.580 9.142 -3.262 1101 HD1 TRP 138 HD1 TRP 138 3.505 7.138 -2.066 1102 HE1 TRP 138 HE1 TRP 138 4.497 5.736 -3.930 1103 HE3 TRP 138 HE3 TRP 138 0.764 8.999 -5.968 1104 HZ2 TRP 138 HZ2 TRP 138 4.313 5.625 -6.859 1105 HZ3 TRP 138 HZ3 TRP 138 1.195 8.229 -8.286 1106 HH2 TRP 138 HH2 TRP 138 2.997 6.583 -8.743 1107 H ALA 139 H ALA 139 0.873 11.661 -1.254 1108 HA ALA 139 HA ALA 139 -1.276 12.742 -2.689 1109 1HB ALA 139 1HB ALA 139 -1.690 14.099 -0.700 1110 2HB ALA 139 2HB ALA 139 -1.213 12.451 -0.230 1111 3HB ALA 139 3HB ALA 139 -0.057 13.796 -0.099 1112 H GLN 140 H GLN 140 1.903 14.239 -1.943 1113 HA GLN 140 HA GLN 140 1.345 16.818 -2.941 1114 1HB GLN 140 1HB GLN 140 3.293 16.326 -1.597 1115 2HB GLN 140 2HB GLN 140 3.902 15.181 -2.779 1116 1HG GLN 140 1HG GLN 140 5.210 17.169 -2.844 1117 2HG GLN 140 2HG GLN 140 4.365 16.979 -4.373 1118 1HE2 GLN 140 2HE2 GLN 140 2.411 18.398 -4.766 1119 2HE2 GLN 140 1HE2 GLN 140 2.362 19.960 -3.969 1120 H ALA 141 H ALA 141 2.389 13.839 -4.692 1121 HA ALA 141 HA ALA 141 2.598 15.206 -7.241 1122 1HB ALA 141 1HB ALA 141 3.900 13.202 -6.727 1123 2HB ALA 141 2HB ALA 141 2.412 12.247 -6.526 1124 3HB ALA 141 3HB ALA 141 2.830 12.905 -8.116 1125 H LEU 142 H LEU 142 0.161 13.058 -5.730 1126 HA LEU 142 HA LEU 142 -1.681 12.993 -7.884 1127 1HB LEU 142 1HB LEU 142 -2.113 12.837 -4.878 1128 2HB LEU 142 2HB LEU 142 -3.392 12.525 -6.043 1129 HG LEU 142 HG LEU 142 -0.793 10.935 -5.952 1130 1HD1 LEU 142 1HD1 LEU 142 -2.023 10.643 -3.844 1131 2HD1 LEU 142 2HD1 LEU 142 -3.504 10.249 -4.744 1132 3HD1 LEU 142 3HD1 LEU 142 -2.091 9.172 -4.825 1133 1HD2 LEU 142 1HD2 LEU 142 -3.435 10.318 -7.320 1134 2HD2 LEU 142 2HD2 LEU 142 -1.936 10.829 -8.131 1135 3HD2 LEU 142 3HD2 LEU 142 -1.994 9.288 -7.280 1136 H ASN 143 H ASN 143 -1.445 15.320 -5.147 1137 HA ASN 143 HA ASN 143 -3.589 17.016 -5.938 1138 1HB ASN 143 1HB ASN 143 -2.510 17.185 -3.728 1139 2HB ASN 143 2HB ASN 143 -0.987 17.659 -4.481 1140 1HD2 ASN 143 2HD2 ASN 143 -0.632 19.881 -4.631 1141 2HD2 ASN 143 1HD2 ASN 143 -1.893 21.084 -4.594 1142 H ALA 144 H ALA 144 -0.131 16.942 -6.911 1143 HA ALA 144 HA ALA 144 -0.494 19.181 -8.725 1144 1HB ALA 144 1HB ALA 144 1.877 17.281 -8.363 1145 2HB ALA 144 2HB ALA 144 1.904 18.827 -9.237 1146 3HB ALA 144 3HB ALA 144 1.658 18.813 -7.483 1147 H GLU 145 H GLU 145 -2.000 16.700 -9.020 1148 HA GLU 145 HA GLU 145 -2.715 15.171 -10.583 1149 1HB GLU 145 1HB GLU 145 -3.652 17.560 -10.924 1150 2HB GLU 145 2HB GLU 145 -2.637 17.635 -12.364 1151 1HG GLU 145 1HG GLU 145 -3.832 15.547 -13.200 1152 2HG GLU 145 2HG GLU 145 -4.831 15.602 -11.748 1153 H GLN 146 H GLN 146 -0.147 14.564 -10.357 1154 HA GLN 146 HA GLN 146 1.208 14.574 -12.873 1155 1HB GLN 146 1HB GLN 146 1.550 12.785 -10.432 1156 2HB GLN 146 2HB GLN 146 2.627 12.782 -11.831 1157 1HG GLN 146 1HG GLN 146 2.157 15.139 -9.957 1158 2HG GLN 146 2HG GLN 146 3.591 14.131 -10.042 1159 1HE2 GLN 146 2HE2 GLN 146 1.767 16.753 -11.587 1160 2HE2 GLN 146 1HE2 GLN 146 3.029 17.206 -12.713 1161 H VAL 147 H VAL 147 1.734 12.844 -14.147 1162 HA VAL 147 HA VAL 147 -0.343 10.842 -14.732 1163 HB VAL 147 HB VAL 147 -0.309 11.687 -17.112 1164 1HG1 VAL 147 1HG1 VAL 147 -2.178 12.242 -15.563 1165 2HG1 VAL 147 2HG1 VAL 147 -1.363 13.756 -15.137 1166 3HG1 VAL 147 3HG1 VAL 147 -1.916 13.482 -16.797 1167 1HG2 VAL 147 1HG2 VAL 147 0.954 14.224 -15.955 1168 2HG2 VAL 147 2HG2 VAL 147 1.771 13.065 -17.028 1169 3HG2 VAL 147 3HG2 VAL 147 0.380 13.981 -17.614 Start of MODEL 16 1 H MET 1 H MET 1 -0.603 11.357 -13.851 2 HA MET 1 HA MET 1 -1.070 9.447 -12.603 3 1HB MET 1 1HB MET 1 -2.349 10.273 -10.739 4 2HB MET 1 2HB MET 1 -1.286 11.532 -11.335 5 1HG MET 1 1HG MET 1 -3.344 12.473 -10.630 6 2HG MET 1 2HG MET 1 -3.220 12.673 -12.358 7 1HE MET 1 1HE MET 1 -5.572 13.006 -13.281 8 2HE MET 1 2HE MET 1 -4.733 11.670 -14.092 9 3HE MET 1 3HE MET 1 -6.453 11.511 -13.664 10 H PHE 2 H PHE 2 -2.946 8.155 -11.418 11 HA PHE 2 HA PHE 2 -5.220 7.757 -13.273 12 1HB PHE 2 1HB PHE 2 -3.732 5.404 -12.094 13 2HB PHE 2 2HB PHE 2 -4.882 5.436 -13.422 14 HD1 PHE 2 HD1 PHE 2 -4.138 6.355 -15.695 15 HD2 PHE 2 HD2 PHE 2 -1.395 5.893 -12.416 16 HE1 PHE 2 HE1 PHE 2 -2.229 6.755 -17.226 17 HE2 PHE 2 HE2 PHE 2 0.509 6.326 -13.916 18 HZ PHE 2 HZ PHE 2 0.106 6.735 -16.352 19 H ASN 3 H ASN 3 -7.045 7.859 -12.092 20 HA ASN 3 HA ASN 3 -6.856 8.491 -9.318 21 1HB ASN 3 1HB ASN 3 -8.488 9.527 -10.843 22 2HB ASN 3 2HB ASN 3 -9.275 7.965 -11.097 23 1HD2 ASN 3 2HD2 ASN 3 -8.516 10.392 -8.507 24 2HD2 ASN 3 1HD2 ASN 3 -9.910 9.984 -7.523 25 H ASN 4 H ASN 4 -7.133 5.396 -10.802 26 HA ASN 4 HA ASN 4 -8.629 4.233 -8.486 27 1HB ASN 4 1HB ASN 4 -9.768 4.178 -10.723 28 2HB ASN 4 2HB ASN 4 -8.387 3.281 -11.371 29 1HD2 ASN 4 2HD2 ASN 4 -9.809 1.525 -11.925 30 2HD2 ASN 4 1HD2 ASN 4 -10.239 0.364 -10.701 31 H ILE 5 H ILE 5 -7.147 3.394 -7.106 32 HA ILE 5 HA ILE 5 -4.667 2.166 -8.245 33 HB ILE 5 HB ILE 5 -5.101 3.876 -5.769 34 1HG1 ILE 5 1HG1 ILE 5 -3.980 4.537 -8.513 35 2HG1 ILE 5 2HG1 ILE 5 -5.331 5.282 -7.679 36 1HG2 ILE 5 1HG2 ILE 5 -3.249 2.300 -5.366 37 2HG2 ILE 5 2HG2 ILE 5 -2.461 2.850 -6.864 38 3HG2 ILE 5 3HG2 ILE 5 -2.672 3.932 -5.460 39 1HD1 ILE 5 1HD1 ILE 5 -3.810 6.237 -6.016 40 2HD1 ILE 5 2HD1 ILE 5 -2.417 5.615 -6.924 41 3HD1 ILE 5 3HD1 ILE 5 -3.490 6.798 -7.677 42 H LEU 6 H LEU 6 -3.687 0.467 -7.141 43 HA LEU 6 HA LEU 6 -5.242 -0.808 -4.911 44 1HB LEU 6 1HB LEU 6 -5.357 -2.066 -7.096 45 2HB LEU 6 2HB LEU 6 -3.603 -2.168 -7.086 46 HG LEU 6 HG LEU 6 -3.694 -3.526 -5.013 47 1HD1 LEU 6 1HD1 LEU 6 -5.746 -2.789 -3.974 48 2HD1 LEU 6 2HD1 LEU 6 -6.708 -3.306 -5.372 49 3HD1 LEU 6 3HD1 LEU 6 -5.903 -4.504 -4.331 50 1HD2 LEU 6 1HD2 LEU 6 -5.404 -4.555 -7.313 51 2HD2 LEU 6 2HD2 LEU 6 -3.635 -4.658 -7.173 52 3HD2 LEU 6 3HD2 LEU 6 -4.670 -5.555 -6.050 53 H VAL 7 H VAL 7 -3.921 -1.536 -3.177 54 HA VAL 7 HA VAL 7 -0.976 -1.225 -3.520 55 HB VAL 7 HB VAL 7 -2.423 -0.903 -0.872 56 1HG1 VAL 7 1HG1 VAL 7 0.350 -0.133 -1.907 57 2HG1 VAL 7 2HG1 VAL 7 -0.276 0.243 -0.299 58 3HG1 VAL 7 3HG1 VAL 7 -0.028 -1.442 -0.768 59 1HG2 VAL 7 1HG2 VAL 7 -3.282 0.931 -2.234 60 2HG2 VAL 7 2HG2 VAL 7 -2.099 1.558 -1.090 61 3HG2 VAL 7 3HG2 VAL 7 -1.647 1.339 -2.796 62 H VAL 8 H VAL 8 0.262 -2.982 -2.894 63 HA VAL 8 HA VAL 8 -1.239 -5.370 -1.927 64 HB VAL 8 HB VAL 8 0.741 -5.361 -4.228 65 1HG1 VAL 8 1HG1 VAL 8 -0.170 -7.587 -4.697 66 2HG1 VAL 8 2HG1 VAL 8 0.430 -7.533 -3.038 67 3HG1 VAL 8 3HG1 VAL 8 -1.319 -7.436 -3.353 68 1HG2 VAL 8 1HG2 VAL 8 -1.152 -4.103 -5.057 69 2HG2 VAL 8 2HG2 VAL 8 -1.286 -5.736 -5.703 70 3HG2 VAL 8 3HG2 VAL 8 -2.298 -5.254 -4.333 71 H CYS 9 H CYS 9 -0.186 -6.534 -0.330 72 HA CYS 9 HA CYS 9 2.763 -6.374 -0.228 73 1HB CYS 9 1HB CYS 9 2.895 -5.751 2.065 74 2HB CYS 9 2HB CYS 9 1.876 -4.559 1.249 75 HG CYS 9 HG CYS 9 1.103 -7.053 3.289 76 H VAL 10 H VAL 10 3.455 -7.933 1.880 77 HA VAL 10 HA VAL 10 2.251 -10.553 1.162 78 HB VAL 10 HB VAL 10 3.750 -11.356 3.062 79 1HG1 VAL 10 1HG1 VAL 10 4.294 -11.755 0.753 80 2HG1 VAL 10 2HG1 VAL 10 4.944 -10.123 0.555 81 3HG1 VAL 10 3HG1 VAL 10 5.776 -11.298 1.602 82 1HG2 VAL 10 1HG2 VAL 10 4.168 -9.176 4.185 83 2HG2 VAL 10 2HG2 VAL 10 5.656 -10.002 3.718 84 3HG2 VAL 10 3HG2 VAL 10 5.082 -8.623 2.768 85 H GLY 11 H GLY 11 0.891 -11.716 2.610 86 1HA GLY 11 1HA GLY 11 -0.590 -12.027 4.333 87 2HA GLY 11 2HA GLY 11 0.150 -10.661 5.175 88 H ASN 12 H ASN 12 -0.449 -8.765 2.892 89 HA ASN 12 HA ASN 12 -2.018 -7.256 2.293 90 1HB ASN 12 1HB ASN 12 -3.448 -9.154 1.543 91 2HB ASN 12 2HB ASN 12 -4.167 -9.219 3.140 92 1HD2 ASN 12 2HD2 ASN 12 -4.228 -6.025 3.183 93 2HD2 ASN 12 1HD2 ASN 12 -5.799 -5.872 2.419 94 H ILE 13 H ILE 13 -2.825 -8.893 5.368 95 HA ILE 13 HA ILE 13 -4.466 -7.114 6.508 96 HB ILE 13 HB ILE 13 -3.830 -8.081 8.665 97 1HG1 ILE 13 1HG1 ILE 13 -1.500 -9.411 7.195 98 2HG1 ILE 13 2HG1 ILE 13 -1.338 -8.073 8.327 99 1HG2 ILE 13 1HG2 ILE 13 -3.760 -10.282 6.569 100 2HG2 ILE 13 2HG2 ILE 13 -4.499 -10.292 8.177 101 3HG2 ILE 13 3HG2 ILE 13 -5.210 -9.313 6.898 102 1HD1 ILE 13 1HD1 ILE 13 -0.806 -10.116 9.475 103 2HD1 ILE 13 2HD1 ILE 13 -2.341 -9.505 10.124 104 3HD1 ILE 13 3HD1 ILE 13 -2.331 -10.868 8.987 105 H CYS 14 H CYS 14 -1.211 -6.046 5.979 106 HA CYS 14 HA CYS 14 -1.528 -4.078 8.218 107 1HB CYS 14 1HB CYS 14 0.967 -4.266 8.506 108 2HB CYS 14 2HB CYS 14 0.003 -5.650 9.033 109 HG CYS 14 HG CYS 14 2.250 -6.491 8.005 110 H ARG 15 H ARG 15 0.930 -4.374 5.540 111 HA ARG 15 HA ARG 15 1.089 -1.520 5.602 112 1HB ARG 15 1HB ARG 15 2.277 -3.458 3.578 113 2HB ARG 15 2HB ARG 15 2.645 -1.736 3.714 114 1HG ARG 15 1HG ARG 15 3.346 -2.127 6.112 115 2HG ARG 15 2HG ARG 15 3.235 -3.863 5.808 116 1HD ARG 15 1HD ARG 15 5.013 -1.907 4.276 117 2HD ARG 15 2HD ARG 15 5.543 -2.926 5.608 118 HE ARG 15 HE ARG 15 4.303 -4.452 3.473 119 1HH1 ARG 15 1HH1 ARG 15 7.438 -3.101 4.635 120 2HH1 ARG 15 2HH1 ARG 15 8.345 -4.158 3.593 121 1HH2 ARG 15 1HH2 ARG 15 5.744 -5.820 2.078 122 2HH2 ARG 15 2HH2 ARG 15 7.449 -5.674 2.394 123 H SER 16 H SER 16 -0.504 -3.685 3.155 124 HA SER 16 HA SER 16 -1.186 -1.654 1.387 125 1HB SER 16 1HB SER 16 -2.894 -4.074 2.036 126 2HB SER 16 2HB SER 16 -2.962 -3.061 0.580 127 HG SER 16 HG SER 16 -1.762 -5.009 0.360 128 HA PRO 17 HA PRO 17 -5.276 -0.650 3.547 129 1HB PRO 17 1HB PRO 17 -5.746 -1.303 6.193 130 2HB PRO 17 2HB PRO 17 -6.260 -2.280 4.784 131 1HG PRO 17 1HG PRO 17 -3.795 -2.635 6.504 132 2HG PRO 17 2HG PRO 17 -4.945 -3.888 5.941 133 1HD PRO 17 1HD PRO 17 -2.610 -3.488 4.645 134 2HD PRO 17 2HD PRO 17 -4.117 -3.805 3.737 135 H THR 18 H THR 18 -2.286 -0.628 5.548 136 HA THR 18 HA THR 18 -2.898 1.830 6.902 137 HB THR 18 HB THR 18 -0.185 0.640 6.197 138 HG1 THR 18 1HG THR 18 -1.239 -0.833 7.412 139 1HG2 THR 18 1HG2 THR 18 0.075 2.946 6.942 140 2HG2 THR 18 2HG2 THR 18 -1.059 2.688 8.285 141 3HG2 THR 18 3HG2 THR 18 0.525 1.880 8.278 142 H ALA 19 H ALA 19 -0.996 1.156 3.869 143 HA ALA 19 HA ALA 19 -0.557 3.899 3.222 144 1HB ALA 19 1HB ALA 19 -0.240 3.002 0.884 145 2HB ALA 19 2HB ALA 19 0.725 2.154 2.122 146 3HB ALA 19 3HB ALA 19 -0.762 1.415 1.483 147 H GLU 20 H GLU 20 -3.178 1.628 2.257 148 HA GLU 20 HA GLU 20 -4.515 3.288 0.425 149 1HB GLU 20 1HB GLU 20 -4.923 0.872 0.781 150 2HB GLU 20 2HB GLU 20 -5.551 1.219 2.392 151 1HG GLU 20 1HG GLU 20 -7.244 2.772 0.909 152 2HG GLU 20 2HG GLU 20 -6.832 1.538 -0.273 153 H ARG 21 H ARG 21 -5.079 2.918 3.981 154 HA ARG 21 HA ARG 21 -7.198 4.870 3.989 155 1HB ARG 21 1HB ARG 21 -5.476 3.630 6.178 156 2HB ARG 21 2HB ARG 21 -6.809 4.720 6.496 157 1HG ARG 21 1HG ARG 21 -7.115 2.050 5.050 158 2HG ARG 21 2HG ARG 21 -7.411 2.360 6.755 159 1HD ARG 21 1HD ARG 21 -9.033 4.246 5.777 160 2HD ARG 21 2HD ARG 21 -9.023 3.208 4.355 161 HE ARG 21 HE ARG 21 -9.927 2.551 7.143 162 1HH1 ARG 21 1HH2 ARG 21 -9.733 1.340 3.734 163 2HH1 ARG 21 2HH2 ARG 21 -11.051 0.260 3.974 164 1HH2 ARG 21 1HH1 ARG 21 -11.473 0.873 7.418 165 2HH2 ARG 21 2HH1 ARG 21 -12.027 -0.015 6.043 166 H LEU 22 H LEU 22 -3.674 5.097 4.649 167 HA LEU 22 HA LEU 22 -3.687 7.828 5.506 168 1HB LEU 22 1HB LEU 22 -1.655 6.105 4.039 169 2HB LEU 22 2HB LEU 22 -1.331 7.782 4.450 170 HG LEU 22 HG LEU 22 -2.145 5.805 6.613 171 1HD1 LEU 22 1HD1 LEU 22 0.318 5.558 7.055 172 2HD1 LEU 22 2HD1 LEU 22 -0.195 4.834 5.521 173 3HD1 LEU 22 3HD1 LEU 22 0.629 6.389 5.510 174 1HD2 LEU 22 1HD2 LEU 22 -0.884 7.414 8.027 175 2HD2 LEU 22 2HD2 LEU 22 -0.585 8.420 6.610 176 3HD2 LEU 22 3HD2 LEU 22 -2.243 8.195 7.210 177 H LEU 23 H LEU 23 -3.562 6.341 2.219 178 HA LEU 23 HA LEU 23 -3.460 8.837 0.823 179 1HB LEU 23 1HB LEU 23 -4.426 6.074 0.016 180 2HB LEU 23 2HB LEU 23 -4.406 7.434 -1.089 181 HG LEU 23 HG LEU 23 -1.883 6.617 0.379 182 1HD1 LEU 23 1HD1 LEU 23 -2.679 4.590 -0.716 183 2HD1 LEU 23 2HD1 LEU 23 -2.898 5.470 -2.256 184 3HD1 LEU 23 3HD1 LEU 23 -1.285 5.212 -1.570 185 1HD2 LEU 23 1HD2 LEU 23 -0.765 7.641 -1.557 186 2HD2 LEU 23 2HD2 LEU 23 -2.337 8.026 -2.284 187 3HD2 LEU 23 3HD2 LEU 23 -1.836 8.801 -0.765 188 H GLN 24 H GLN 24 -6.278 6.932 2.088 189 HA GLN 24 HA GLN 24 -8.248 8.632 0.878 190 1HB GLN 24 1HB GLN 24 -8.425 7.073 3.504 191 2HB GLN 24 2HB GLN 24 -9.757 7.889 2.709 192 1HG GLN 24 1HG GLN 24 -8.264 5.458 1.683 193 2HG GLN 24 2HG GLN 24 -9.922 5.543 2.246 194 1HE2 GLN 24 2HE2 GLN 24 -7.807 5.961 -0.434 195 2HE2 GLN 24 1HE2 GLN 24 -8.953 6.660 -1.589 196 H ARG 25 H ARG 25 -6.470 8.878 4.020 197 HA ARG 25 HA ARG 25 -7.855 11.185 4.892 198 1HB ARG 25 1HB ARG 25 -6.574 9.915 6.443 199 2HB ARG 25 2HB ARG 25 -5.076 10.125 5.538 200 1HG ARG 25 1HG ARG 25 -4.828 12.381 6.152 201 2HG ARG 25 2HG ARG 25 -6.519 12.557 6.638 202 1HD ARG 25 1HD ARG 25 -4.572 10.724 8.088 203 2HD ARG 25 2HD ARG 25 -4.814 12.427 8.522 204 HE ARG 25 HE ARG 25 -7.367 11.383 8.421 205 1HH1 ARG 25 1HH2 ARG 25 -4.474 10.686 10.360 206 2HH1 ARG 25 2HH2 ARG 25 -5.368 10.149 11.746 207 1HH2 ARG 25 1HH1 ARG 25 -8.540 10.653 10.222 208 2HH2 ARG 25 2HH1 ARG 25 -7.741 10.001 11.603 209 H TYR 26 H TYR 26 -4.740 10.964 3.053 210 HA TYR 26 HA TYR 26 -4.654 13.859 2.950 211 1HB TYR 26 1HB TYR 26 -2.828 11.745 1.772 212 2HB TYR 26 2HB TYR 26 -2.519 13.479 1.723 213 HD1 TYR 26 HD1 TYR 26 -1.778 10.574 3.560 214 HD2 TYR 26 HD2 TYR 26 -2.809 14.727 4.110 215 HE1 TYR 26 HE1 TYR 26 -0.869 10.499 5.860 216 HE2 TYR 26 HE2 TYR 26 -1.901 14.659 6.405 217 HH TYR 26 HH TYR 26 -0.912 13.340 8.056 218 H HIS 27 H HIS 27 -6.005 11.494 0.749 219 HA HIS 27 HA HIS 27 -6.579 13.661 -1.183 220 1HB HIS 27 1HB HIS 27 -4.413 12.372 -1.680 221 2HB HIS 27 2HB HIS 27 -5.405 10.962 -1.978 222 HD1 HIS 27 HD1 HIS 27 -7.425 13.552 -3.552 223 HD2 HIS 27 HD2 HIS 27 -3.695 11.740 -4.285 224 HE1 HIS 27 HE1 HIS 27 -6.936 13.877 -6.024 225 HA PRO 28 HA PRO 28 -10.017 10.878 0.397 226 1HB PRO 28 1HB PRO 28 -11.584 13.389 -0.198 227 2HB PRO 28 2HB PRO 28 -11.765 12.245 1.168 228 1HG PRO 28 1HG PRO 28 -10.465 14.598 1.515 229 2HG PRO 28 2HG PRO 28 -9.804 13.094 2.234 230 1HD PRO 28 1HD PRO 28 -8.947 14.506 -0.298 231 2HD PRO 28 2HD PRO 28 -7.951 13.772 0.989 232 H GLU 29 H GLU 29 -9.888 12.721 -2.631 233 HA GLU 29 HA GLU 29 -12.167 11.212 -3.757 234 1HB GLU 29 1HB GLU 29 -11.951 12.691 -5.672 235 2HB GLU 29 2HB GLU 29 -12.160 13.582 -4.177 236 1HG GLU 29 1HG GLU 29 -9.404 13.155 -5.403 237 2HG GLU 29 2HG GLU 29 -10.471 14.445 -5.938 238 H LEU 30 H LEU 30 -8.999 10.441 -3.273 239 HA LEU 30 HA LEU 30 -8.437 9.230 -5.894 240 1HB LEU 30 1HB LEU 30 -6.726 10.263 -4.306 241 2HB LEU 30 2HB LEU 30 -7.035 8.915 -3.214 242 HG LEU 30 HG LEU 30 -6.281 7.356 -5.071 243 1HD1 LEU 30 1HD1 LEU 30 -4.915 8.396 -6.899 244 2HD1 LEU 30 2HD1 LEU 30 -6.623 8.795 -7.027 245 3HD1 LEU 30 3HD1 LEU 30 -5.479 9.996 -6.389 246 1HD2 LEU 30 1HD2 LEU 30 -3.880 7.883 -4.650 247 2HD2 LEU 30 2HD2 LEU 30 -4.326 9.505 -4.113 248 3HD2 LEU 30 3HD2 LEU 30 -4.841 8.086 -3.190 249 H LYS 31 H LYS 31 -8.952 7.055 -6.360 250 HA LYS 31 HA LYS 31 -10.570 5.653 -4.279 251 1HB LYS 31 1HB LYS 31 -11.609 5.837 -6.510 252 2HB LYS 31 2HB LYS 31 -10.178 5.164 -7.265 253 1HG LYS 31 1HG LYS 31 -11.912 3.477 -7.143 254 2HG LYS 31 2HG LYS 31 -10.535 2.998 -6.165 255 1HD LYS 31 1HD LYS 31 -12.612 2.429 -5.050 256 2HD LYS 31 2HD LYS 31 -11.754 3.643 -4.100 257 1HE LYS 31 1HE LYS 31 -13.229 5.419 -5.037 258 2HE LYS 31 2HE LYS 31 -14.046 4.216 -6.040 259 1HZ LYS 31 1HZ LYS 31 -14.064 4.250 -3.075 260 2HZ LYS 31 2HZ LYS 31 -15.298 4.694 -4.040 261 3HZ LYS 31 3HZ LYS 31 -14.820 3.139 -4.010 262 H VAL 32 H VAL 32 -9.382 4.250 -3.033 263 HA VAL 32 HA VAL 32 -7.120 2.825 -4.282 264 HB VAL 32 HB VAL 32 -6.857 4.011 -1.501 265 1HG1 VAL 32 1HG1 VAL 32 -5.428 2.060 -2.060 266 2HG1 VAL 32 2HG1 VAL 32 -4.830 2.901 -3.499 267 3HG1 VAL 32 3HG1 VAL 32 -4.458 3.521 -1.883 268 1HG2 VAL 32 1HG2 VAL 32 -5.780 5.232 -4.076 269 2HG2 VAL 32 2HG2 VAL 32 -6.948 5.975 -2.961 270 3HG2 VAL 32 3HG2 VAL 32 -5.294 5.691 -2.437 271 H GLU 33 H GLU 33 -7.084 0.699 -3.679 272 HA GLU 33 HA GLU 33 -8.470 -0.098 -1.179 273 1HB GLU 33 1HB GLU 33 -8.917 -1.439 -3.877 274 2HB GLU 33 2HB GLU 33 -9.402 -2.102 -2.308 275 1HG GLU 33 1HG GLU 33 -10.777 -0.033 -1.908 276 2HG GLU 33 2HG GLU 33 -10.459 0.444 -3.583 277 H SER 34 H SER 34 -7.855 -2.639 -0.940 278 HA SER 34 HA SER 34 -4.878 -2.738 -1.210 279 1HB SER 34 1HB SER 34 -6.715 -3.441 1.106 280 2HB SER 34 2HB SER 34 -4.981 -3.748 1.081 281 HG SER 34 HG SER 34 -6.415 -1.314 1.131 282 H ALA 35 H ALA 35 -3.915 -4.839 -1.264 283 HA ALA 35 HA ALA 35 -5.567 -7.248 -1.091 284 1HB ALA 35 1HB ALA 35 -4.038 -6.589 -3.647 285 2HB ALA 35 2HB ALA 35 -4.809 -8.145 -3.270 286 3HB ALA 35 3HB ALA 35 -5.807 -6.706 -3.484 287 H GLY 36 H GLY 36 -3.801 -9.205 -1.530 288 1HA GLY 36 1HA GLY 36 -1.072 -8.266 -1.012 289 2HA GLY 36 2HA GLY 36 -1.744 -9.367 0.182 290 H LEU 37 H LEU 37 0.598 -9.702 -1.275 291 HA LEU 37 HA LEU 37 0.411 -11.293 -3.642 292 1HB LEU 37 1HB LEU 37 2.576 -11.179 -1.509 293 2HB LEU 37 2HB LEU 37 2.755 -11.904 -3.100 294 HG LEU 37 HG LEU 37 2.226 -8.947 -2.587 295 1HD1 LEU 37 1HD1 LEU 37 4.555 -8.626 -3.235 296 2HD1 LEU 37 2HD1 LEU 37 4.433 -9.631 -1.789 297 3HD1 LEU 37 3HD1 LEU 37 4.792 -10.387 -3.358 298 1HD2 LEU 37 1HD2 LEU 37 2.913 -10.432 -5.168 299 2HD2 LEU 37 2HD2 LEU 37 1.397 -9.578 -4.804 300 3HD2 LEU 37 3HD2 LEU 37 2.893 -8.665 -4.978 301 H GLY 38 H GLY 38 0.422 -12.069 -0.207 302 1HA GLY 38 1HA GLY 38 -0.443 -14.857 -0.754 303 2HA GLY 38 2HA GLY 38 0.947 -14.567 0.331 304 H ALA 39 H ALA 39 -2.369 -13.361 -0.347 305 HA ALA 39 HA ALA 39 -2.509 -11.901 2.146 306 1HB ALA 39 1HB ALA 39 -4.732 -12.630 0.218 307 2HB ALA 39 2HB ALA 39 -4.742 -11.296 1.380 308 3HB ALA 39 3HB ALA 39 -3.643 -11.233 -0.009 309 H LEU 40 H LEU 40 -4.432 -12.124 3.563 310 HA LEU 40 HA LEU 40 -5.118 -14.981 4.161 311 1HB LEU 40 1HB LEU 40 -4.837 -12.566 5.992 312 2HB LEU 40 2HB LEU 40 -5.375 -14.174 6.491 313 HG LEU 40 HG LEU 40 -2.607 -13.498 5.398 314 1HD1 LEU 40 1HD1 LEU 40 -3.039 -12.570 7.631 315 2HD1 LEU 40 2HD1 LEU 40 -3.518 -14.175 8.226 316 3HD1 LEU 40 3HD1 LEU 40 -1.846 -13.873 7.698 317 1HD2 LEU 40 1HD2 LEU 40 -3.707 -16.117 6.521 318 2HD2 LEU 40 2HD2 LEU 40 -3.162 -15.825 4.853 319 3HD2 LEU 40 3HD2 LEU 40 -1.995 -15.787 6.173 320 H VAL 41 H VAL 41 -6.765 -14.721 2.512 321 HA VAL 41 HA VAL 41 -8.558 -12.737 2.200 322 HB VAL 41 HB VAL 41 -9.317 -15.673 2.017 323 1HG1 VAL 41 1HG1 VAL 41 -11.200 -14.115 1.639 324 2HG1 VAL 41 2HG1 VAL 41 -10.241 -13.220 0.443 325 3HG1 VAL 41 3HG1 VAL 41 -10.728 -14.900 0.132 326 1HG2 VAL 41 1HG2 VAL 41 -7.199 -15.463 0.850 327 2HG2 VAL 41 2HG2 VAL 41 -8.478 -15.505 -0.354 328 3HG2 VAL 41 3HG2 VAL 41 -7.720 -13.956 0.070 329 H GLY 42 H GLY 42 -10.061 -11.714 3.365 330 1HA GLY 42 1HA GLY 42 -11.822 -11.346 4.758 331 2HA GLY 42 2HA GLY 42 -11.986 -13.090 4.979 332 H LYS 43 H LYS 43 -8.803 -12.265 5.940 333 HA LYS 43 HA LYS 43 -9.522 -12.930 8.620 334 1HB LYS 43 1HB LYS 43 -7.482 -13.592 7.329 335 2HB LYS 43 2HB LYS 43 -6.813 -11.982 7.595 336 1HG LYS 43 1HG LYS 43 -7.750 -13.447 10.043 337 2HG LYS 43 2HG LYS 43 -6.440 -14.226 9.164 338 1HD LYS 43 1HD LYS 43 -5.020 -12.270 9.349 339 2HD LYS 43 2HD LYS 43 -6.319 -11.337 10.123 340 1HE LYS 43 1HE LYS 43 -6.385 -12.992 11.985 341 2HE LYS 43 2HE LYS 43 -5.089 -13.914 11.217 342 1HZ LYS 43 1HZ LYS 43 -4.835 -11.140 12.230 343 2HZ LYS 43 2HZ LYS 43 -4.254 -12.475 12.961 344 3HZ LYS 43 3HZ LYS 43 -3.626 -12.007 11.533 345 H GLY 44 H GLY 44 -9.472 -9.783 7.182 346 1HA GLY 44 1HA GLY 44 -10.045 -7.797 8.220 347 2HA GLY 44 2HA GLY 44 -9.781 -8.519 9.805 348 H ALA 45 H ALA 45 -8.830 -5.982 9.337 349 HA ALA 45 HA ALA 45 -6.073 -5.945 8.444 350 1HB ALA 45 1HB ALA 45 -7.691 -3.960 10.104 351 2HB ALA 45 2HB ALA 45 -6.065 -3.671 9.452 352 3HB ALA 45 3HB ALA 45 -7.433 -3.916 8.349 353 H ASP 46 H ASP 46 -4.201 -5.682 9.770 354 HA ASP 46 HA ASP 46 -4.061 -7.594 11.842 355 1HB ASP 46 1HB ASP 46 -2.219 -7.106 10.349 356 2HB ASP 46 2HB ASP 46 -2.115 -5.451 10.935 357 HA PRO 47 HA PRO 47 -5.398 -5.170 15.363 358 1HB PRO 47 1HB PRO 47 -3.432 -6.900 16.873 359 2HB PRO 47 2HB PRO 47 -5.113 -6.461 17.308 360 1HG PRO 47 1HG PRO 47 -4.574 -8.883 16.222 361 2HG PRO 47 2HG PRO 47 -6.004 -7.951 15.669 362 1HD PRO 47 1HD PRO 47 -3.309 -8.232 14.328 363 2HD PRO 47 2HD PRO 47 -4.953 -8.253 13.616 364 H THR 48 H THR 48 -1.839 -5.589 14.870 365 HA THR 48 HA THR 48 -1.291 -3.422 16.789 366 HB THR 48 HB THR 48 0.660 -4.892 15.003 367 HG1 THR 48 1HG THR 48 -0.325 -5.581 17.585 368 1HG2 THR 48 1HG2 THR 48 2.267 -4.357 16.807 369 2HG2 THR 48 2HG2 THR 48 1.556 -2.879 16.131 370 3HG2 THR 48 3HG2 THR 48 0.992 -3.498 17.699 371 H ALA 49 H ALA 49 -1.434 -4.003 13.236 372 HA ALA 49 HA ALA 49 -0.522 -1.418 12.439 373 1HB ALA 49 1HB ALA 49 -2.649 -3.151 11.113 374 2HB ALA 49 2HB ALA 49 -1.714 -1.842 10.363 375 3HB ALA 49 3HB ALA 49 -0.898 -3.327 10.877 376 H ILE 50 H ILE 50 -3.815 -2.648 13.272 377 HA ILE 50 HA ILE 50 -5.185 -0.169 13.044 378 HB ILE 50 HB ILE 50 -5.655 -2.560 14.847 379 1HG1 ILE 50 1HG1 ILE 50 -7.280 -1.770 12.394 380 2HG1 ILE 50 2HG1 ILE 50 -5.854 -2.786 12.245 381 1HG2 ILE 50 1HG2 ILE 50 -6.800 -0.638 15.865 382 2HG2 ILE 50 2HG2 ILE 50 -7.535 -0.215 14.305 383 3HG2 ILE 50 3HG2 ILE 50 -7.994 -1.703 15.157 384 1HD1 ILE 50 1HD1 ILE 50 -7.849 -4.176 12.348 385 2HD1 ILE 50 2HD1 ILE 50 -6.857 -4.455 13.784 386 3HD1 ILE 50 3HD1 ILE 50 -8.331 -3.467 13.889 387 H SER 51 H SER 51 -3.406 -1.615 15.862 388 HA SER 51 HA SER 51 -4.109 0.404 17.684 389 1HB SER 51 1HB SER 51 -1.572 -1.281 17.617 390 2HB SER 51 2HB SER 51 -2.177 -0.366 19.005 391 HG SER 51 HG SER 51 -3.491 -2.535 17.683 392 H VAL 52 H VAL 52 -1.117 0.294 15.571 393 HA VAL 52 HA VAL 52 -0.268 2.862 16.547 394 HB VAL 52 HB VAL 52 1.304 2.928 14.708 395 1HG1 VAL 52 1HG1 VAL 52 1.177 0.178 16.023 396 2HG1 VAL 52 2HG1 VAL 52 2.615 0.982 15.376 397 3HG1 VAL 52 3HG1 VAL 52 1.797 1.670 16.774 398 1HG2 VAL 52 1HG2 VAL 52 0.151 0.302 13.709 399 2HG2 VAL 52 2HG2 VAL 52 -0.045 1.866 12.895 400 3HG2 VAL 52 3HG2 VAL 52 1.562 1.167 13.076 401 H ALA 53 H ALA 53 -2.497 1.948 13.887 402 HA ALA 53 HA ALA 53 -2.582 4.641 12.837 403 1HB ALA 53 1HB ALA 53 -3.205 2.572 11.567 404 2HB ALA 53 2HB ALA 53 -4.645 2.424 12.606 405 3HB ALA 53 3HB ALA 53 -4.447 3.832 11.537 406 H ALA 54 H ALA 54 -4.369 2.915 15.414 407 HA ALA 54 HA ALA 54 -6.359 4.924 15.809 408 1HB ALA 54 1HB ALA 54 -6.564 2.617 16.685 409 2HB ALA 54 2HB ALA 54 -5.197 2.909 17.787 410 3HB ALA 54 3HB ALA 54 -6.706 3.821 17.981 411 H GLU 55 H GLU 55 -2.985 4.550 17.061 412 HA GLU 55 HA GLU 55 -3.038 6.723 18.828 413 1HB GLU 55 1HB GLU 55 -1.196 4.974 18.328 414 2HB GLU 55 2HB GLU 55 -0.647 6.092 17.070 415 1HG GLU 55 1HG GLU 55 -0.353 7.865 18.778 416 2HG GLU 55 2HG GLU 55 -0.966 6.775 20.025 417 H HIS 56 H HIS 56 -3.406 6.795 15.398 418 HA HIS 56 HA HIS 56 -3.149 9.764 15.314 419 1HB HIS 56 1HB HIS 56 -2.767 7.672 13.154 420 2HB HIS 56 2HB HIS 56 -2.718 9.417 12.886 421 HD1 HIS 56 HD1 HIS 56 -0.625 10.723 14.339 422 HD2 HIS 56 HD2 HIS 56 -0.478 6.558 13.776 423 HE1 HIS 56 HE1 HIS 56 1.773 10.022 14.823 424 H GLN 57 H GLN 57 -5.438 7.680 15.938 425 HA GLN 57 HA GLN 57 -7.636 7.340 15.436 426 1HB GLN 57 1HB GLN 57 -7.466 10.357 15.003 427 2HB GLN 57 2HB GLN 57 -8.951 9.461 15.308 428 1HG GLN 57 1HG GLN 57 -6.625 9.616 17.279 429 2HG GLN 57 2HG GLN 57 -8.029 10.672 17.293 430 1HE2 GLN 57 2HE2 GLN 57 -6.915 7.341 17.883 431 2HE2 GLN 57 1HE2 GLN 57 -8.372 6.818 18.701 432 H LEU 58 H LEU 58 -6.379 6.327 13.367 433 HA LEU 58 HA LEU 58 -8.235 7.088 11.159 434 1HB LEU 58 1HB LEU 58 -5.607 7.598 10.906 435 2HB LEU 58 2HB LEU 58 -5.559 5.889 10.494 436 HG LEU 58 HG LEU 58 -7.095 8.130 9.127 437 1HD1 LEU 58 1HD1 LEU 58 -5.741 7.550 7.193 438 2HD1 LEU 58 2HD1 LEU 58 -4.693 7.864 8.580 439 3HD1 LEU 58 3HD1 LEU 58 -5.002 6.189 8.068 440 1HD2 LEU 58 1HD2 LEU 58 -8.675 6.333 9.034 441 2HD2 LEU 58 2HD2 LEU 58 -7.894 6.435 7.473 442 3HD2 LEU 58 3HD2 LEU 58 -7.409 5.152 8.623 443 H SER 59 H SER 59 -9.686 5.454 11.028 444 HA SER 59 HA SER 59 -9.180 2.952 12.312 445 1HB SER 59 1HB SER 59 -11.521 3.793 10.550 446 2HB SER 59 2HB SER 59 -11.492 2.458 11.718 447 HG SER 59 HG SER 59 -12.453 4.363 12.575 448 H LEU 60 H LEU 60 -7.619 1.644 11.235 449 HA LEU 60 HA LEU 60 -7.776 1.104 8.383 450 1HB LEU 60 1HB LEU 60 -6.537 -0.675 10.505 451 2HB LEU 60 2HB LEU 60 -6.289 -0.748 8.768 452 HG LEU 60 HG LEU 60 -5.309 1.347 10.704 453 1HD1 LEU 60 1HD1 LEU 60 -4.061 -0.793 10.493 454 2HD1 LEU 60 2HD1 LEU 60 -3.838 -0.483 8.761 455 3HD1 LEU 60 3HD1 LEU 60 -3.102 0.598 9.962 456 1HD2 LEU 60 1HD2 LEU 60 -4.205 2.478 8.772 457 2HD2 LEU 60 2HD2 LEU 60 -5.159 1.458 7.667 458 3HD2 LEU 60 3HD2 LEU 60 -5.959 2.627 8.746 459 H GLU 61 H GLU 61 -9.343 -0.197 11.263 460 HA GLU 61 HA GLU 61 -10.326 -2.593 10.181 461 1HB GLU 61 1HB GLU 61 -10.580 -1.132 12.587 462 2HB GLU 61 2HB GLU 61 -12.230 -1.248 11.992 463 1HG GLU 61 1HG GLU 61 -10.322 -3.609 12.330 464 2HG GLU 61 2HG GLU 61 -11.483 -3.090 13.544 465 H GLY 62 H GLY 62 -12.526 -3.097 9.470 466 1HA GLY 62 1HA GLY 62 -14.378 -2.705 8.097 467 2HA GLY 62 2HA GLY 62 -13.953 -0.988 7.956 468 H HIS 63 H HIS 63 -11.984 -3.959 7.421 469 HA HIS 63 HA HIS 63 -11.926 -3.537 4.526 470 1HB HIS 63 1HB HIS 63 -9.934 -2.293 5.224 471 2HB HIS 63 2HB HIS 63 -9.435 -3.609 6.290 472 HD1 HIS 63 HD1 HIS 63 -10.189 -3.420 2.438 473 HD2 HIS 63 HD2 HIS 63 -7.535 -5.042 5.279 474 HE1 HIS 63 HE1 HIS 63 -8.581 -4.914 1.155 475 H CYS 64 H CYS 64 -11.416 -5.517 3.451 476 HA CYS 64 HA CYS 64 -11.286 -7.963 5.155 477 1HB CYS 64 1HB CYS 64 -12.972 -7.562 2.640 478 2HB CYS 64 2HB CYS 64 -12.722 -9.097 3.482 479 HG CYS 64 HG CYS 64 -15.127 -8.185 3.992 480 H ALA 65 H ALA 65 -9.303 -8.751 4.763 481 HA ALA 65 HA ALA 65 -7.663 -7.992 2.580 482 1HB ALA 65 1HB ALA 65 -7.543 -10.216 4.656 483 2HB ALA 65 2HB ALA 65 -6.276 -9.997 3.444 484 3HB ALA 65 3HB ALA 65 -6.618 -8.704 4.615 485 H ARG 66 H ARG 66 -6.797 -9.373 0.858 486 HA ARG 66 HA ARG 66 -8.400 -11.646 -0.056 487 1HB ARG 66 1HB ARG 66 -9.239 -10.504 -2.097 488 2HB ARG 66 2HB ARG 66 -9.955 -9.877 -0.613 489 1HG ARG 66 1HG ARG 66 -8.328 -7.951 -0.687 490 2HG ARG 66 2HG ARG 66 -7.739 -8.559 -2.244 491 1HD ARG 66 1HD ARG 66 -9.986 -8.268 -3.216 492 2HD ARG 66 2HD ARG 66 -10.599 -7.690 -1.643 493 HE ARG 66 HE ARG 66 -8.415 -6.114 -2.075 494 1HH1 ARG 66 1HH2 ARG 66 -11.426 -6.549 -3.938 495 2HH1 ARG 66 2HH2 ARG 66 -11.185 -5.090 -4.842 496 1HH2 ARG 66 1HH1 ARG 66 -8.118 -4.308 -3.248 497 2HH2 ARG 66 2HH1 ARG 66 -9.274 -3.802 -4.470 498 H GLN 67 H GLN 67 -7.418 -12.735 -1.741 499 HA GLN 67 HA GLN 67 -4.547 -12.344 -1.986 500 1HB GLN 67 1HB GLN 67 -5.597 -14.543 -1.681 501 2HB GLN 67 2HB GLN 67 -6.586 -14.318 -3.121 502 1HG GLN 67 1HG GLN 67 -4.693 -15.875 -3.433 503 2HG GLN 67 2HG GLN 67 -4.702 -14.534 -4.567 504 1HE2 GLN 67 2HE2 GLN 67 -2.576 -14.014 -5.000 505 2HE2 GLN 67 1HE2 GLN 67 -1.295 -13.940 -3.779 506 H ILE 68 H ILE 68 -3.448 -11.341 -3.542 507 HA ILE 68 HA ILE 68 -4.761 -9.899 -5.612 508 HB ILE 68 HB ILE 68 -2.500 -9.368 -4.670 509 1HG1 ILE 68 1HG1 ILE 68 -1.364 -8.753 -6.787 510 2HG1 ILE 68 2HG1 ILE 68 -2.525 -9.712 -7.700 511 1HG2 ILE 68 1HG2 ILE 68 -0.509 -10.534 -5.522 512 2HG2 ILE 68 2HG2 ILE 68 -1.539 -11.634 -4.589 513 3HG2 ILE 68 3HG2 ILE 68 -1.523 -11.717 -6.347 514 1HD1 ILE 68 1HD1 ILE 68 -3.233 -7.359 -5.900 515 2HD1 ILE 68 2HD1 ILE 68 -3.021 -7.257 -7.658 516 3HD1 ILE 68 3HD1 ILE 68 -4.350 -8.216 -6.989 517 H SER 69 H SER 69 -5.071 -10.395 -7.764 518 HA SER 69 HA SER 69 -4.225 -12.914 -8.950 519 1HB SER 69 1HB SER 69 -7.100 -12.370 -8.086 520 2HB SER 69 2HB SER 69 -6.737 -13.446 -9.462 521 HG SER 69 HG SER 69 -5.340 -13.766 -7.056 522 H ARG 70 H ARG 70 -4.847 -12.847 -11.350 523 HA ARG 70 HA ARG 70 -4.073 -10.331 -12.326 524 1HB ARG 70 1HB ARG 70 -3.819 -12.593 -13.484 525 2HB ARG 70 2HB ARG 70 -5.514 -12.474 -13.941 526 1HG ARG 70 1HG ARG 70 -4.296 -11.748 -15.837 527 2HG ARG 70 2HG ARG 70 -4.938 -10.276 -15.127 528 1HD ARG 70 1HD ARG 70 -2.702 -9.791 -15.765 529 2HD ARG 70 2HD ARG 70 -2.681 -9.924 -14.014 530 HE ARG 70 HE ARG 70 -1.437 -11.893 -14.140 531 1HH1 ARG 70 1HH2 ARG 70 -2.280 -10.859 -17.488 532 2HH1 ARG 70 2HH2 ARG 70 -1.306 -12.092 -18.199 533 1HH2 ARG 70 1HH1 ARG 70 -0.017 -13.308 -15.122 534 2HH2 ARG 70 2HH1 ARG 70 -0.007 -13.533 -16.843 535 H ARG 71 H ARG 71 -7.395 -11.642 -11.973 536 HA ARG 71 HA ARG 71 -8.756 -9.602 -13.367 537 1HB ARG 71 1HB ARG 71 -9.766 -11.705 -12.483 538 2HB ARG 71 2HB ARG 71 -9.644 -11.069 -10.837 539 1HG ARG 71 1HG ARG 71 -11.151 -9.186 -11.452 540 2HG ARG 71 2HG ARG 71 -11.266 -9.806 -13.104 541 1HD ARG 71 1HD ARG 71 -12.132 -11.303 -10.591 542 2HD ARG 71 2HD ARG 71 -13.218 -10.382 -11.645 543 HE ARG 71 HE ARG 71 -11.950 -12.151 -13.351 544 1HH1 ARG 71 1HH2 ARG 71 -14.005 -12.466 -10.474 545 2HH1 ARG 71 2HH2 ARG 71 -14.660 -13.994 -10.930 546 1HH2 ARG 71 1HH1 ARG 71 -12.812 -14.196 -13.958 547 2HH2 ARG 71 2HH1 ARG 71 -13.966 -14.993 -12.961 548 H LEU 72 H LEU 72 -7.594 -9.631 -9.942 549 HA LEU 72 HA LEU 72 -8.632 -6.981 -9.395 550 1HB LEU 72 1HB LEU 72 -6.524 -8.704 -8.047 551 2HB LEU 72 2HB LEU 72 -6.837 -7.054 -7.524 552 HG LEU 72 HG LEU 72 -9.008 -9.168 -7.664 553 1HD1 LEU 72 1HD1 LEU 72 -8.733 -9.383 -5.212 554 2HD1 LEU 72 2HD1 LEU 72 -7.263 -9.855 -6.068 555 3HD1 LEU 72 3HD1 LEU 72 -7.345 -8.271 -5.262 556 1HD2 LEU 72 1HD2 LEU 72 -10.236 -7.680 -6.146 557 2HD2 LEU 72 2HD2 LEU 72 -8.909 -6.502 -6.199 558 3HD2 LEU 72 3HD2 LEU 72 -9.877 -6.847 -7.653 559 H CYS 73 H CYS 73 -5.450 -8.235 -10.552 560 HA CYS 73 HA CYS 73 -4.139 -5.742 -10.525 561 1HB CYS 73 1HB CYS 73 -3.787 -7.953 -12.606 562 2HB CYS 73 2HB CYS 73 -2.636 -6.667 -12.233 563 HG CYS 73 HG CYS 73 -3.771 -9.024 -10.168 564 H ARG 74 H ARG 74 -6.424 -7.059 -12.969 565 HA ARG 74 HA ARG 74 -6.082 -4.791 -14.772 566 1HB ARG 74 1HB ARG 74 -8.152 -7.024 -14.554 567 2HB ARG 74 2HB ARG 74 -8.156 -5.810 -15.838 568 1HG ARG 74 1HG ARG 74 -6.008 -6.536 -16.669 569 2HG ARG 74 2HG ARG 74 -5.773 -7.640 -15.305 570 1HD ARG 74 1HD ARG 74 -7.727 -8.964 -16.006 571 2HD ARG 74 2HD ARG 74 -7.981 -7.877 -17.391 572 HE ARG 74 HE ARG 74 -5.421 -8.585 -17.795 573 1HH1 ARG 74 1HH2 ARG 74 -8.349 -10.559 -17.334 574 2HH1 ARG 74 2HH2 ARG 74 -7.689 -11.952 -18.105 575 1HH2 ARG 74 1HH1 ARG 74 -4.506 -10.415 -18.636 576 2HH2 ARG 74 2HH1 ARG 74 -5.446 -11.855 -18.957 577 H ASN 75 H ASN 75 -8.080 -5.408 -11.927 578 HA ASN 75 HA ASN 75 -10.217 -3.663 -12.630 579 1HB ASN 75 1HB ASN 75 -10.342 -5.571 -10.998 580 2HB ASN 75 2HB ASN 75 -9.393 -4.607 -9.863 581 1HD2 ASN 75 2HD2 ASN 75 -10.768 -3.709 -8.293 582 2HD2 ASN 75 1HD2 ASN 75 -12.379 -3.135 -8.618 583 H TYR 76 H TYR 76 -7.047 -2.900 -11.570 584 HA TYR 76 HA TYR 76 -7.868 -0.101 -10.969 585 1HB TYR 76 1HB TYR 76 -5.636 -1.580 -9.545 586 2HB TYR 76 2HB TYR 76 -6.214 0.048 -9.220 587 HD1 TYR 76 HD1 TYR 76 -6.902 -3.548 -8.838 588 HD2 TYR 76 HD2 TYR 76 -8.248 0.405 -7.847 589 HE1 TYR 76 HE1 TYR 76 -8.554 -4.527 -7.314 590 HE2 TYR 76 HE2 TYR 76 -9.942 -0.546 -6.318 591 HH TYR 76 HH TYR 76 -10.938 -2.496 -5.510 592 H ASP 77 H ASP 77 -5.950 1.418 -11.371 593 HA ASP 77 HA ASP 77 -4.488 0.387 -13.764 594 1HB ASP 77 1HB ASP 77 -6.528 1.853 -14.157 595 2HB ASP 77 2HB ASP 77 -5.571 3.186 -13.507 596 H LEU 78 H LEU 78 -3.775 1.200 -10.725 597 HA LEU 78 HA LEU 78 -1.025 1.682 -11.503 598 1HB LEU 78 1HB LEU 78 -2.131 4.000 -11.181 599 2HB LEU 78 2HB LEU 78 -2.362 3.541 -9.497 600 HG LEU 78 HG LEU 78 0.080 3.346 -9.209 601 1HD1 LEU 78 1HD1 LEU 78 0.162 4.164 -12.143 602 2HD1 LEU 78 2HD1 LEU 78 1.546 4.363 -11.060 603 3HD1 LEU 78 3HD1 LEU 78 0.914 2.751 -11.380 604 1HD2 LEU 78 1HD2 LEU 78 0.575 5.776 -9.346 605 2HD2 LEU 78 2HD2 LEU 78 -0.881 6.008 -10.322 606 3HD2 LEU 78 3HD2 LEU 78 -1.008 5.430 -8.659 607 H ILE 79 H ILE 79 0.262 0.506 -10.004 608 HA ILE 79 HA ILE 79 -1.255 -0.750 -7.755 609 HB ILE 79 HB ILE 79 0.740 -2.154 -9.548 610 1HG1 ILE 79 1HG1 ILE 79 -1.172 -1.626 -10.987 611 2HG1 ILE 79 2HG1 ILE 79 -0.981 -3.338 -10.695 612 1HG2 ILE 79 1HG2 ILE 79 -0.291 -4.196 -8.526 613 2HG2 ILE 79 2HG2 ILE 79 0.534 -3.156 -7.354 614 3HG2 ILE 79 3HG2 ILE 79 -1.235 -3.146 -7.451 615 1HD1 ILE 79 1HD1 ILE 79 -3.353 -2.642 -10.690 616 2HD1 ILE 79 2HD1 ILE 79 -2.879 -3.361 -9.148 617 3HD1 ILE 79 3HD1 ILE 79 -3.052 -1.596 -9.298 618 H LEU 80 H LEU 80 -0.243 -0.484 -5.856 619 HA LEU 80 HA LEU 80 2.609 0.394 -5.881 620 1HB LEU 80 1HB LEU 80 0.209 1.173 -4.224 621 2HB LEU 80 2HB LEU 80 1.790 1.209 -3.475 622 HG LEU 80 HG LEU 80 1.184 3.395 -4.261 623 1HD1 LEU 80 1HD1 LEU 80 3.426 2.366 -6.040 624 2HD1 LEU 80 2HD1 LEU 80 3.233 3.990 -5.357 625 3HD1 LEU 80 3HD1 LEU 80 3.593 2.610 -4.299 626 1HD2 LEU 80 1HD2 LEU 80 0.897 4.023 -6.557 627 2HD2 LEU 80 2HD2 LEU 80 1.240 2.376 -7.124 628 3HD2 LEU 80 3HD2 LEU 80 -0.237 2.712 -6.199 629 H THR 81 H THR 81 4.007 -0.352 -4.375 630 HA THR 81 HA THR 81 3.258 -2.651 -2.661 631 HB THR 81 HB THR 81 5.247 -3.853 -3.516 632 HG1 THR 81 1HG THR 81 5.294 -1.771 -5.443 633 1HG2 THR 81 1HG2 THR 81 3.333 -3.288 -5.805 634 2HG2 THR 81 2HG2 THR 81 4.405 -4.691 -5.620 635 3HG2 THR 81 3HG2 THR 81 3.057 -4.452 -4.488 636 H MET 82 H MET 82 5.635 -3.128 -1.393 637 HA MET 82 HA MET 82 6.611 -0.416 -0.593 638 1HB MET 82 1HB MET 82 5.878 -2.878 1.030 639 2HB MET 82 2HB MET 82 6.860 -1.572 1.663 640 1HG MET 82 1HG MET 82 4.806 -0.878 2.367 641 2HG MET 82 2HG MET 82 4.926 -0.001 0.851 642 1HE MET 82 1HE MET 82 1.125 -0.714 1.223 643 2HE MET 82 2HE MET 82 2.384 -0.034 2.260 644 3HE MET 82 3HE MET 82 2.283 0.466 0.559 645 H GLU 83 H GLU 83 7.660 -3.462 -1.863 646 HA GLU 83 HA GLU 83 10.468 -2.748 -1.268 647 1HB GLU 83 1HB GLU 83 9.081 -5.359 -0.536 648 2HB GLU 83 2HB GLU 83 10.830 -5.230 -0.734 649 1HG GLU 83 1HG GLU 83 10.987 -3.603 1.086 650 2HG GLU 83 2HG GLU 83 9.222 -3.605 1.271 651 H LYS 84 H LYS 84 12.018 -3.819 -2.625 652 HA LYS 84 HA LYS 84 11.137 -3.973 -5.350 653 1HB LYS 84 1HB LYS 84 13.715 -4.900 -4.011 654 2HB LYS 84 2HB LYS 84 13.461 -4.832 -5.761 655 1HG LYS 84 1HG LYS 84 13.077 -2.406 -5.661 656 2HG LYS 84 2HG LYS 84 13.258 -2.419 -3.898 657 1HD LYS 84 1HD LYS 84 15.579 -3.276 -4.146 658 2HD LYS 84 2HD LYS 84 15.437 -3.168 -5.904 659 1HE LYS 84 1HE LYS 84 15.111 -0.821 -3.970 660 2HE LYS 84 2HE LYS 84 16.622 -1.231 -4.781 661 1HZ LYS 84 1HZ LYS 84 15.564 -0.808 -6.898 662 2HZ LYS 84 2HZ LYS 84 14.132 -0.456 -6.180 663 3HZ LYS 84 3HZ LYS 84 15.430 0.508 -5.934 664 H ARG 85 H ARG 85 11.721 -6.562 -2.898 665 HA ARG 85 HA ARG 85 11.281 -8.745 -4.656 666 1HB ARG 85 1HB ARG 85 10.566 -10.006 -2.644 667 2HB ARG 85 2HB ARG 85 12.128 -9.215 -2.477 668 1HG ARG 85 1HG ARG 85 11.243 -7.532 -1.009 669 2HG ARG 85 2HG ARG 85 9.572 -8.010 -1.336 670 1HD ARG 85 1HD ARG 85 9.972 -10.197 -0.265 671 2HD ARG 85 2HD ARG 85 11.645 -9.722 0.087 672 HE ARG 85 HE ARG 85 10.585 -7.746 1.343 673 1HH1 ARG 85 1HH2 ARG 85 9.299 -11.070 1.436 674 2HH1 ARG 85 2HH2 ARG 85 8.440 -10.814 2.911 675 1HH2 ARG 85 1HH1 ARG 85 9.297 -7.365 3.110 676 2HH2 ARG 85 2HH1 ARG 85 8.476 -8.658 3.950 677 H HIS 86 H HIS 86 8.881 -6.515 -3.182 678 HA HIS 86 HA HIS 86 6.659 -8.269 -3.893 679 1HB HIS 86 1HB HIS 86 6.785 -5.331 -3.091 680 2HB HIS 86 2HB HIS 86 5.298 -6.182 -3.484 681 HD1 HIS 86 HD1 HIS 86 7.445 -8.422 -1.399 682 HD2 HIS 86 HD2 HIS 86 4.610 -5.353 -0.944 683 HE1 HIS 86 HE1 HIS 86 6.625 -8.556 0.997 684 H ILE 87 H ILE 87 8.270 -5.367 -5.345 685 HA ILE 87 HA ILE 87 6.559 -5.126 -7.579 686 HB ILE 87 HB ILE 87 9.567 -4.636 -7.421 687 1HG1 ILE 87 1HG1 ILE 87 7.241 -2.682 -7.156 688 2HG1 ILE 87 2HG1 ILE 87 8.206 -3.294 -5.812 689 1HG2 ILE 87 1HG2 ILE 87 9.313 -3.237 -9.429 690 2HG2 ILE 87 2HG2 ILE 87 8.801 -4.867 -9.785 691 3HG2 ILE 87 3HG2 ILE 87 7.579 -3.613 -9.503 692 1HD1 ILE 87 1HD1 ILE 87 10.250 -2.271 -6.850 693 2HD1 ILE 87 2HD1 ILE 87 9.185 -1.494 -8.053 694 3HD1 ILE 87 3HD1 ILE 87 8.998 -1.127 -6.343 695 H GLU 88 H GLU 88 9.539 -7.124 -7.121 696 HA GLU 88 HA GLU 88 9.550 -8.228 -9.701 697 1HB GLU 88 1HB GLU 88 11.425 -8.289 -8.096 698 2HB GLU 88 2HB GLU 88 10.549 -9.450 -7.089 699 1HG GLU 88 1HG GLU 88 10.583 -11.103 -8.915 700 2HG GLU 88 2HG GLU 88 11.333 -9.927 -9.998 701 H ARG 89 H ARG 89 8.012 -9.565 -6.685 702 HA ARG 89 HA ARG 89 7.077 -11.909 -8.023 703 1HB ARG 89 1HB ARG 89 6.163 -10.555 -5.459 704 2HB ARG 89 2HB ARG 89 5.531 -12.104 -6.026 705 1HG ARG 89 1HG ARG 89 8.445 -11.531 -5.372 706 2HG ARG 89 2HG ARG 89 7.297 -12.420 -4.358 707 1HD ARG 89 1HD ARG 89 7.071 -14.057 -6.323 708 2HD ARG 89 2HD ARG 89 8.453 -13.203 -7.056 709 HE ARG 89 HE ARG 89 9.103 -13.966 -4.394 710 1HH1 ARG 89 1HH2 ARG 89 8.657 -15.398 -7.647 711 2HH1 ARG 89 2HH2 ARG 89 9.698 -16.741 -7.317 712 1HH2 ARG 89 1HH1 ARG 89 10.491 -15.755 -4.003 713 2HH2 ARG 89 2HH1 ARG 89 10.763 -16.941 -5.221 714 H LEU 90 H LEU 90 5.507 -8.707 -7.524 715 HA LEU 90 HA LEU 90 2.980 -9.642 -8.521 716 1HB LEU 90 1HB LEU 90 3.739 -7.444 -7.179 717 2HB LEU 90 2HB LEU 90 3.703 -6.755 -8.799 718 HG LEU 90 HG LEU 90 1.421 -8.251 -7.416 719 1HD1 LEU 90 1HD1 LEU 90 1.871 -5.274 -7.851 720 2HD1 LEU 90 2HD1 LEU 90 0.414 -6.021 -7.155 721 3HD1 LEU 90 3HD1 LEU 90 1.958 -6.141 -6.303 722 1HD2 LEU 90 1HD2 LEU 90 1.088 -8.435 -9.810 723 2HD2 LEU 90 2HD2 LEU 90 -0.027 -7.228 -9.188 724 3HD2 LEU 90 3HD2 LEU 90 1.438 -6.708 -10.048 725 H CYS 91 H CYS 91 5.820 -8.026 -10.064 726 HA CYS 91 HA CYS 91 4.650 -7.850 -12.679 727 1HB CYS 91 1HB CYS 91 7.572 -8.030 -11.820 728 2HB CYS 91 2HB CYS 91 6.997 -7.632 -13.451 729 HG CYS 91 HG CYS 91 6.537 -6.080 -10.585 730 H GLU 92 H GLU 92 6.406 -10.479 -10.956 731 HA GLU 92 HA GLU 92 6.785 -12.174 -13.186 732 1HB GLU 92 1HB GLU 92 8.012 -12.419 -11.121 733 2HB GLU 92 2HB GLU 92 6.534 -12.723 -10.207 734 1HG GLU 92 1HG GLU 92 6.210 -14.860 -11.346 735 2HG GLU 92 2HG GLU 92 7.599 -14.534 -12.394 736 H MET 93 H MET 93 4.026 -11.965 -10.825 737 HA MET 93 HA MET 93 2.593 -14.093 -12.208 738 1HB MET 93 1HB MET 93 0.765 -13.624 -10.711 739 2HB MET 93 2HB MET 93 2.273 -13.750 -9.808 740 1HG MET 93 1HG MET 93 2.414 -11.371 -9.553 741 2HG MET 93 2HG MET 93 1.060 -11.077 -10.639 742 1HE MET 93 1HE MET 93 -1.270 -12.874 -9.910 743 2HE MET 93 2HE MET 93 -2.067 -11.935 -8.636 744 3HE MET 93 3HE MET 93 -1.386 -11.104 -10.051 745 H ALA 94 H ALA 94 2.801 -10.605 -12.611 746 HA ALA 94 HA ALA 94 0.752 -10.753 -14.754 747 1HB ALA 94 1HB ALA 94 0.761 -8.699 -12.507 748 2HB ALA 94 2HB ALA 94 -0.322 -8.715 -13.918 749 3HB ALA 94 3HB ALA 94 -0.421 -10.010 -12.716 750 HA PRO 95 HA PRO 95 4.598 -8.503 -16.070 751 1HB PRO 95 1HB PRO 95 4.820 -9.699 -18.553 752 2HB PRO 95 2HB PRO 95 5.592 -10.308 -17.056 753 1HG PRO 95 1HG PRO 95 2.992 -11.212 -18.319 754 2HG PRO 95 2HG PRO 95 4.321 -12.221 -17.666 755 1HD PRO 95 1HD PRO 95 2.080 -11.699 -16.222 756 2HD PRO 95 2HD PRO 95 3.683 -11.780 -15.436 757 H GLU 96 H GLU 96 1.470 -9.316 -17.592 758 HA GLU 96 HA GLU 96 1.021 -7.322 -19.394 759 1HB GLU 96 1HB GLU 96 -0.444 -9.185 -18.627 760 2HB GLU 96 2HB GLU 96 -0.759 -8.317 -17.124 761 1HG GLU 96 1HG GLU 96 -1.841 -6.493 -18.465 762 2HG GLU 96 2HG GLU 96 -1.595 -7.466 -19.923 763 H MET 97 H MET 97 1.330 -6.869 -15.848 764 HA MET 97 HA MET 97 0.477 -4.049 -16.101 765 1HB MET 97 1HB MET 97 -0.767 -5.872 -14.691 766 2HB MET 97 2HB MET 97 0.591 -5.730 -13.573 767 1HG MET 97 1HG MET 97 -1.288 -4.360 -12.893 768 2HG MET 97 2HG MET 97 0.089 -3.331 -13.295 769 1HE MET 97 1HE MET 97 -3.173 -1.249 -14.253 770 2HE MET 97 2HE MET 97 -3.038 -2.433 -12.941 771 3HE MET 97 3HE MET 97 -1.718 -1.275 -13.231 772 H ARG 98 H ARG 98 3.319 -5.635 -16.214 773 HA ARG 98 HA ARG 98 4.886 -4.875 -14.053 774 1HB ARG 98 1HB ARG 98 5.584 -6.439 -15.765 775 2HB ARG 98 2HB ARG 98 5.601 -5.171 -16.997 776 1HG ARG 98 1HG ARG 98 7.529 -4.095 -15.941 777 2HG ARG 98 2HG ARG 98 7.430 -5.191 -14.558 778 1HD ARG 98 1HD ARG 98 9.215 -5.914 -16.035 779 2HD ARG 98 2HD ARG 98 7.914 -7.115 -16.020 780 HE ARG 98 HE ARG 98 7.786 -5.113 -18.171 781 1HH1 ARG 98 1HH2 ARG 98 9.019 -8.323 -17.284 782 2HH1 ARG 98 2HH2 ARG 98 9.121 -8.889 -18.909 783 1HH2 ARG 98 1HH1 ARG 98 7.912 -5.869 -20.336 784 2HH2 ARG 98 2HH1 ARG 98 8.490 -7.453 -20.680 785 H GLY 99 H GLY 99 4.056 -2.850 -16.886 786 1HA GLY 99 1HA GLY 99 5.852 -0.722 -16.321 787 2HA GLY 99 2HA GLY 99 4.402 -0.645 -17.329 788 H LYS 100 H LYS 100 3.020 -1.617 -14.546 789 HA LYS 100 HA LYS 100 2.674 1.157 -13.482 790 1HB LYS 100 1HB LYS 100 0.673 -0.968 -14.294 791 2HB LYS 100 2HB LYS 100 0.241 0.281 -13.125 792 1HG LYS 100 1HG LYS 100 0.624 2.059 -14.665 793 2HG LYS 100 2HG LYS 100 1.365 0.983 -15.866 794 1HD LYS 100 1HD LYS 100 -0.674 -0.163 -16.284 795 2HD LYS 100 2HD LYS 100 -1.486 0.570 -14.909 796 1HE LYS 100 1HE LYS 100 -0.562 2.106 -17.391 797 2HE LYS 100 2HE LYS 100 -2.196 1.498 -17.108 798 1HZ LYS 100 1HZ LYS 100 -2.558 3.467 -16.192 799 2HZ LYS 100 2HZ LYS 100 -1.827 2.890 -14.892 800 3HZ LYS 100 3HZ LYS 100 -0.956 3.823 -15.941 801 H VAL 101 H VAL 101 3.890 -1.823 -12.579 802 HA VAL 101 HA VAL 101 2.943 -1.592 -9.779 803 HB VAL 101 HB VAL 101 4.944 -3.492 -11.066 804 1HG1 VAL 101 1HG1 VAL 101 4.762 -4.786 -8.983 805 2HG1 VAL 101 2HG1 VAL 101 5.353 -3.169 -8.629 806 3HG1 VAL 101 3HG1 VAL 101 3.660 -3.571 -8.293 807 1HG2 VAL 101 1HG2 VAL 101 2.076 -4.055 -10.173 808 2HG2 VAL 101 2HG2 VAL 101 2.616 -3.937 -11.854 809 3HG2 VAL 101 3HG2 VAL 101 3.233 -5.231 -10.835 810 H MET 102 H MET 102 4.211 -0.520 -8.236 811 HA MET 102 HA MET 102 7.073 -0.143 -8.612 812 1HB MET 102 1HB MET 102 7.064 2.308 -8.581 813 2HB MET 102 2HB MET 102 6.194 1.722 -9.995 814 1HG MET 102 1HG MET 102 4.044 1.986 -8.595 815 2HG MET 102 2HG MET 102 5.048 2.881 -7.445 816 1HE MET 102 1HE MET 102 2.368 3.795 -8.897 817 2HE MET 102 2HE MET 102 3.222 4.714 -7.645 818 3HE MET 102 3HE MET 102 2.767 5.513 -9.165 819 H LEU 103 H LEU 103 7.832 1.402 -6.595 820 HA LEU 103 HA LEU 103 6.347 0.300 -4.280 821 1HB LEU 103 1HB LEU 103 8.396 0.719 -2.945 822 2HB LEU 103 2HB LEU 103 8.382 -0.617 -4.086 823 HG LEU 103 HG LEU 103 9.794 0.853 -5.644 824 1HD1 LEU 103 1HD1 LEU 103 10.042 2.550 -3.124 825 2HD1 LEU 103 2HD1 LEU 103 11.119 2.638 -4.534 826 3HD1 LEU 103 3HD1 LEU 103 9.421 3.061 -4.720 827 1HD2 LEU 103 1HD2 LEU 103 10.695 -0.995 -4.281 828 2HD2 LEU 103 2HD2 LEU 103 11.852 0.343 -4.369 829 3HD2 LEU 103 3HD2 LEU 103 10.885 0.103 -2.897 830 H PHE 104 H PHE 104 5.946 1.442 -2.447 831 HA PHE 104 HA PHE 104 4.941 4.004 -3.024 832 1HB PHE 104 1HB PHE 104 4.205 2.088 -1.376 833 2HB PHE 104 2HB PHE 104 5.272 2.871 -0.227 834 HD1 PHE 104 HD1 PHE 104 2.825 4.246 -2.785 835 HD2 PHE 104 HD2 PHE 104 3.827 3.816 1.382 836 HE1 PHE 104 HE1 PHE 104 0.845 5.556 -2.185 837 HE2 PHE 104 HE2 PHE 104 1.799 5.106 1.994 838 HZ PHE 104 HZ PHE 104 0.273 5.936 0.200 839 H GLY 105 H GLY 105 7.942 3.041 -1.350 840 1HA GLY 105 1HA GLY 105 8.424 5.686 -0.262 841 2HA GLY 105 2HA GLY 105 9.521 4.306 -0.243 842 H HIS 106 H HIS 106 8.424 4.868 -3.414 843 HA HIS 106 HA HIS 106 10.668 5.507 -4.754 844 1HB HIS 106 1HB HIS 106 8.603 5.064 -5.843 845 2HB HIS 106 2HB HIS 106 7.859 6.520 -5.168 846 HD1 HIS 106 HD1 HIS 106 10.952 5.871 -7.495 847 HD2 HIS 106 HD2 HIS 106 7.651 8.417 -6.882 848 HE1 HIS 106 HE1 HIS 106 11.033 7.605 -9.351 849 H TRP 107 H TRP 107 8.571 8.095 -3.283 850 HA TRP 107 HA TRP 107 10.148 10.232 -4.272 851 1HB TRP 107 1HB TRP 107 8.433 10.188 -1.769 852 2HB TRP 107 2HB TRP 107 8.864 11.601 -2.729 853 HD1 TRP 107 HD1 TRP 107 6.264 8.989 -2.343 854 HE1 TRP 107 HE1 TRP 107 4.533 9.098 -4.181 855 HE3 TRP 107 HE3 TRP 107 8.686 12.195 -5.532 856 HZ2 TRP 107 HZ2 TRP 107 4.181 10.456 -6.740 857 HZ3 TRP 107 HZ3 TRP 107 7.628 12.855 -7.678 858 HH2 TRP 107 HH2 TRP 107 5.373 11.985 -8.287 859 H ASP 108 H ASP 108 10.599 8.159 -1.471 860 HA ASP 108 HA ASP 108 12.579 10.016 -0.244 861 1HB ASP 108 1HB ASP 108 10.793 8.905 1.177 862 2HB ASP 108 2HB ASP 108 11.515 7.344 0.776 863 H ASN 109 H ASN 109 13.430 9.620 -2.524 864 HA ASN 109 HA ASN 109 15.089 8.788 -3.816 865 1HB ASN 109 1HB ASN 109 16.191 9.915 -1.848 866 2HB ASN 109 2HB ASN 109 16.450 8.322 -1.141 867 1HD2 ASN 109 2HD2 ASN 109 17.587 6.774 -2.578 868 2HD2 ASN 109 1HD2 ASN 109 18.989 7.358 -3.490 869 H GLU 110 H GLU 110 13.151 7.060 -3.825 870 HA GLU 110 HA GLU 110 12.418 4.958 -3.819 871 1HB GLU 110 1HB GLU 110 13.464 3.586 -5.487 872 2HB GLU 110 2HB GLU 110 13.408 5.271 -5.930 873 1HG GLU 110 1HG GLU 110 15.454 4.624 -6.723 874 2HG GLU 110 2HG GLU 110 15.883 5.440 -5.242 875 H CYS 111 H CYS 111 13.496 5.375 -1.284 876 HA CYS 111 HA CYS 111 14.901 2.962 -0.471 877 1HB CYS 111 1HB CYS 111 13.341 5.054 1.105 878 2HB CYS 111 2HB CYS 111 14.174 3.666 1.835 879 HG CYS 111 HG CYS 111 15.327 6.155 0.042 880 H GLU 112 H GLU 112 14.019 0.984 -0.065 881 HA GLU 112 HA GLU 112 11.109 0.640 -0.257 882 1HB GLU 112 1HB GLU 112 11.581 -1.714 0.127 883 2HB GLU 112 2HB GLU 112 12.355 -1.042 -1.310 884 1HG GLU 112 1HG GLU 112 14.521 -1.022 -0.111 885 2HG GLU 112 2HG GLU 112 13.723 -1.669 1.332 886 H ILE 113 H ILE 113 9.956 -0.545 1.467 887 HA ILE 113 HA ILE 113 10.542 0.907 3.983 888 HB ILE 113 HB ILE 113 7.986 -0.171 2.786 889 1HG1 ILE 113 1HG1 ILE 113 9.194 2.620 2.890 890 2HG1 ILE 113 2HG1 ILE 113 8.850 1.658 1.459 891 1HG2 ILE 113 1HG2 ILE 113 7.851 -0.113 5.270 892 2HG2 ILE 113 2HG2 ILE 113 8.216 1.625 5.221 893 3HG2 ILE 113 3HG2 ILE 113 6.734 0.990 4.489 894 1HD1 ILE 113 1HD1 ILE 113 6.407 1.831 1.956 895 2HD1 ILE 113 2HD1 ILE 113 6.822 2.990 3.253 896 3HD1 ILE 113 3HD1 ILE 113 7.216 3.365 1.573 897 HA PRO 114 HA PRO 114 11.343 -2.973 6.091 898 1HB PRO 114 1HB PRO 114 10.070 -1.705 8.496 899 2HB PRO 114 2HB PRO 114 11.665 -2.490 8.346 900 1HG PRO 114 1HG PRO 114 11.431 0.226 8.457 901 2HG PRO 114 2HG PRO 114 12.628 -0.561 7.378 902 1HD PRO 114 1HD PRO 114 9.918 0.570 6.664 903 2HD PRO 114 2HD PRO 114 11.480 0.719 5.806 904 H ASP 115 H ASP 115 10.184 -4.750 7.210 905 HA ASP 115 HA ASP 115 7.325 -4.850 6.376 906 1HB ASP 115 1HB ASP 115 8.828 -6.340 5.206 907 2HB ASP 115 2HB ASP 115 9.368 -7.052 6.726 908 HA PRO 116 HA PRO 116 7.026 -5.023 10.884 909 1HB PRO 116 1HB PRO 116 4.612 -3.916 11.258 910 2HB PRO 116 2HB PRO 116 5.942 -2.953 10.556 911 1HG PRO 116 1HG PRO 116 3.736 -4.438 9.067 912 2HG PRO 116 2HG PRO 116 4.209 -2.721 8.888 913 1HD PRO 116 1HD PRO 116 5.195 -4.727 7.268 914 2HD PRO 116 2HD PRO 116 6.172 -3.297 7.713 915 H TYR 117 H TYR 117 5.501 -7.103 8.678 916 HA TYR 117 HA TYR 117 3.297 -8.101 9.069 917 1HB TYR 117 1HB TYR 117 5.090 -9.358 7.989 918 2HB TYR 117 2HB TYR 117 5.634 -9.963 9.547 919 HD1 TYR 117 HD1 TYR 117 2.639 -9.806 7.283 920 HD2 TYR 117 HD2 TYR 117 4.646 -11.980 10.429 921 HE1 TYR 117 HE1 TYR 117 0.972 -11.638 7.089 922 HE2 TYR 117 HE2 TYR 117 3.011 -13.816 10.217 923 HH TYR 117 HH TYR 117 1.111 -14.599 9.115 924 H ARG 118 H ARG 118 5.402 -9.430 11.734 925 HA ARG 118 HA ARG 118 3.164 -8.890 13.607 926 1HB ARG 118 1HB ARG 118 4.559 -11.570 13.226 927 2HB ARG 118 2HB ARG 118 3.609 -11.201 14.653 928 1HG ARG 118 1HG ARG 118 2.356 -11.069 11.885 929 2HG ARG 118 2HG ARG 118 2.544 -12.569 12.762 930 1HD ARG 118 1HD ARG 118 0.330 -11.758 13.079 931 2HD ARG 118 2HD ARG 118 1.177 -11.746 14.617 932 HE ARG 118 HE ARG 118 0.257 -9.418 12.995 933 1HH1 ARG 118 1HH2 ARG 118 1.792 -10.477 16.049 934 2HH1 ARG 118 2HH2 ARG 118 1.545 -8.949 16.814 935 1HH2 ARG 118 1HH1 ARG 118 -0.087 -7.502 14.003 936 2HH2 ARG 118 2HH1 ARG 118 0.435 -7.204 15.632 937 H LYS 119 H LYS 119 5.537 -7.432 13.082 938 HA LYS 119 HA LYS 119 7.597 -8.113 15.057 939 1HB LYS 119 1HB LYS 119 7.086 -5.576 13.443 940 2HB LYS 119 2HB LYS 119 8.576 -5.958 14.301 941 1HG LYS 119 1HG LYS 119 7.506 -7.527 11.913 942 2HG LYS 119 2HG LYS 119 8.716 -6.249 11.851 943 1HD LYS 119 1HD LYS 119 10.272 -7.580 13.198 944 2HD LYS 119 2HD LYS 119 9.051 -8.840 13.411 945 1HE LYS 119 1HE LYS 119 10.640 -9.504 11.692 946 2HE LYS 119 2HE LYS 119 9.023 -9.318 11.013 947 1HZ LYS 119 1HZ LYS 119 10.769 -8.355 9.620 948 2HZ LYS 119 2HZ LYS 119 9.696 -7.209 10.060 949 3HZ LYS 119 3HZ LYS 119 11.176 -7.291 10.782 950 H SER 120 H SER 120 8.283 -6.102 16.501 951 HA SER 120 HA SER 120 6.321 -5.701 18.500 952 1HB SER 120 1HB SER 120 8.782 -4.003 17.904 953 2HB SER 120 2HB SER 120 7.981 -4.212 19.473 954 HG SER 120 HG SER 120 9.843 -5.535 19.264 955 H ARG 121 H ARG 121 5.286 -3.678 19.201 956 HA ARG 121 HA ARG 121 3.918 -2.351 17.124 957 1HB ARG 121 1HB ARG 121 3.255 -2.621 19.591 958 2HB ARG 121 2HB ARG 121 4.301 -1.232 19.932 959 1HG ARG 121 1HG ARG 121 2.924 0.122 18.300 960 2HG ARG 121 2HG ARG 121 1.908 -1.295 18.037 961 1HD ARG 121 1HD ARG 121 0.649 -0.167 19.605 962 2HD ARG 121 2HD ARG 121 1.569 -1.240 20.646 963 HE ARG 121 HE ARG 121 2.876 0.560 21.407 964 1HH1 ARG 121 1HH2 ARG 121 0.443 1.719 19.037 965 2HH1 ARG 121 2HH2 ARG 121 0.778 3.402 19.428 966 1HH2 ARG 121 1HH1 ARG 121 3.184 2.870 21.820 967 2HH2 ARG 121 2HH1 ARG 121 2.210 3.999 20.894 968 H GLU 122 H GLU 122 6.955 -1.454 18.774 969 HA GLU 122 HA GLU 122 7.159 1.182 17.773 970 1HB GLU 122 1HB GLU 122 8.529 0.127 19.558 971 2HB GLU 122 2HB GLU 122 9.379 -0.834 18.359 972 1HG GLU 122 1HG GLU 122 9.296 2.221 18.387 973 2HG GLU 122 2HG GLU 122 10.514 1.284 19.242 974 H THR 123 H THR 123 7.900 -1.987 16.234 975 HA THR 123 HA THR 123 9.190 -0.818 13.924 976 HB THR 123 HB THR 123 7.791 -3.503 14.023 977 HG1 THR 123 1HG THR 123 10.264 -2.814 15.225 978 1HG2 THR 123 1HG2 THR 123 10.349 -2.532 12.678 979 2HG2 THR 123 2HG2 THR 123 9.746 -4.202 12.642 980 3HG2 THR 123 3HG2 THR 123 8.805 -2.906 11.881 981 H PHE 124 H PHE 124 5.819 -1.909 14.714 982 HA PHE 124 HA PHE 124 4.693 -1.277 12.164 983 1HB PHE 124 1HB PHE 124 3.574 -1.469 14.971 984 2HB PHE 124 2HB PHE 124 2.600 -0.822 13.676 985 HD1 PHE 124 HD1 PHE 124 4.129 -3.909 14.993 986 HD2 PHE 124 HD2 PHE 124 1.818 -2.152 11.798 987 HE1 PHE 124 HE1 PHE 124 3.322 -6.155 14.331 988 HE2 PHE 124 HE2 PHE 124 1.047 -4.421 11.131 989 HZ PHE 124 HZ PHE 124 1.758 -6.405 12.424 990 H ALA 125 H ALA 125 5.308 0.806 15.058 991 HA ALA 125 HA ALA 125 4.005 3.094 13.968 992 1HB ALA 125 1HB ALA 125 4.510 2.814 16.374 993 2HB ALA 125 2HB ALA 125 6.250 2.952 16.031 994 3HB ALA 125 3HB ALA 125 5.174 4.331 15.736 995 H ALA 126 H ALA 126 7.451 2.030 13.833 996 HA ALA 126 HA ALA 126 8.449 4.286 12.411 997 1HB ALA 126 1HB ALA 126 10.278 2.774 11.743 998 2HB ALA 126 2HB ALA 126 9.897 2.583 13.465 999 3HB ALA 126 3HB ALA 126 9.346 1.366 12.290 1000 H VAL 127 H VAL 127 7.140 1.142 11.173 1001 HA VAL 127 HA VAL 127 7.336 1.889 8.437 1002 HB VAL 127 HB VAL 127 5.608 -0.167 9.869 1003 1HG1 VAL 127 1HG1 VAL 127 5.966 0.327 6.878 1004 2HG1 VAL 127 2HG1 VAL 127 5.347 -1.186 7.558 1005 3HG1 VAL 127 3HG1 VAL 127 4.444 0.310 7.796 1006 1HG2 VAL 127 1HG2 VAL 127 7.274 -1.738 8.931 1007 2HG2 VAL 127 2HG2 VAL 127 8.109 -0.398 8.128 1008 3HG2 VAL 127 3HG2 VAL 127 8.099 -0.517 9.898 1009 H TYR 128 H TYR 128 4.573 2.300 10.779 1010 HA TYR 128 HA TYR 128 2.775 3.408 8.924 1011 1HB TYR 128 1HB TYR 128 2.200 2.769 11.243 1012 2HB TYR 128 2HB TYR 128 3.133 4.125 11.864 1013 HD1 TYR 128 HD1 TYR 128 2.409 6.529 11.192 1014 HD2 TYR 128 HD2 TYR 128 -0.080 3.050 10.593 1015 HE1 TYR 128 HE1 TYR 128 0.474 7.994 10.815 1016 HE2 TYR 128 HE2 TYR 128 -2.052 4.512 10.312 1017 HH TYR 128 HH TYR 128 -2.851 6.697 10.282 1018 H THR 129 H THR 129 5.370 5.056 10.840 1019 HA THR 129 HA THR 129 4.710 7.677 9.950 1020 HB THR 129 HB THR 129 7.420 6.578 10.829 1021 HG1 THR 129 1HG THR 129 5.910 6.096 12.390 1022 1HG2 THR 129 1HG2 THR 129 7.583 8.868 9.932 1023 2HG2 THR 129 2HG2 THR 129 6.238 9.393 10.968 1024 3HG2 THR 129 3HG2 THR 129 7.783 8.880 11.689 1025 H LEU 130 H LEU 130 6.984 5.219 8.608 1026 HA LEU 130 HA LEU 130 7.932 6.914 6.499 1027 1HB LEU 130 1HB LEU 130 9.138 4.996 7.411 1028 2HB LEU 130 2HB LEU 130 7.888 3.889 6.847 1029 HG LEU 130 HG LEU 130 8.498 4.178 4.565 1030 1HD1 LEU 130 1HD1 LEU 130 8.972 6.607 4.425 1031 2HD1 LEU 130 2HD1 LEU 130 10.405 6.394 5.463 1032 3HD1 LEU 130 3HD1 LEU 130 10.354 5.694 3.832 1033 1HD2 LEU 130 1HD2 LEU 130 9.968 2.759 6.037 1034 2HD2 LEU 130 2HD2 LEU 130 10.810 3.385 4.605 1035 3HD2 LEU 130 3HD2 LEU 130 11.077 4.118 6.200 1036 H LEU 131 H LEU 131 5.215 4.590 6.713 1037 HA LEU 131 HA LEU 131 4.415 4.855 3.956 1038 1HB LEU 131 1HB LEU 131 2.883 4.037 6.461 1039 2HB LEU 131 2HB LEU 131 2.177 4.039 4.852 1040 HG LEU 131 HG LEU 131 4.583 2.342 5.644 1041 1HD1 LEU 131 1HD1 LEU 131 2.506 1.638 6.792 1042 2HD1 LEU 131 2HD1 LEU 131 1.671 1.554 5.219 1043 3HD1 LEU 131 3HD1 LEU 131 3.018 0.453 5.584 1044 1HD2 LEU 131 1HD2 LEU 131 4.152 1.147 3.543 1045 2HD2 LEU 131 2HD2 LEU 131 2.878 2.319 3.127 1046 3HD2 LEU 131 3HD2 LEU 131 4.575 2.830 3.256 1047 H GLU 132 H GLU 132 3.633 6.741 6.936 1048 HA GLU 132 HA GLU 132 1.617 8.337 5.728 1049 1HB GLU 132 1HB GLU 132 2.143 8.177 8.211 1050 2HB GLU 132 2HB GLU 132 3.561 9.185 7.909 1051 1HG GLU 132 1HG GLU 132 1.628 10.729 6.732 1052 2HG GLU 132 2HG GLU 132 0.652 9.896 7.927 1053 H ARG 133 H ARG 133 5.176 8.942 6.095 1054 HA ARG 133 HA ARG 133 5.302 11.340 4.599 1055 1HB ARG 133 1HB ARG 133 7.287 9.017 4.737 1056 2HB ARG 133 2HB ARG 133 7.618 10.549 3.926 1057 1HG ARG 133 1HG ARG 133 7.322 11.774 6.042 1058 2HG ARG 133 2HG ARG 133 6.925 10.258 6.866 1059 1HD ARG 133 1HD ARG 133 9.250 10.853 7.308 1060 2HD ARG 133 2HD ARG 133 9.153 9.363 6.370 1061 HE ARG 133 HE ARG 133 9.739 12.053 5.182 1062 1HH1 ARG 133 1HH2 ARG 133 10.604 8.617 5.461 1063 2HH1 ARG 133 2HH2 ARG 133 11.823 8.671 4.226 1064 1HH2 ARG 133 1HH1 ARG 133 11.437 12.147 3.627 1065 2HH2 ARG 133 2HH1 ARG 133 12.331 10.714 3.212 1066 H SER 134 H SER 134 5.532 7.977 3.431 1067 HA SER 134 HA SER 134 5.887 8.596 0.700 1068 1HB SER 134 1HB SER 134 4.558 6.153 1.939 1069 2HB SER 134 2HB SER 134 5.218 6.270 0.300 1070 HG SER 134 HG SER 134 6.596 6.345 2.791 1071 H ALA 135 H ALA 135 2.830 7.920 2.520 1072 HA ALA 135 HA ALA 135 1.115 8.168 0.273 1073 1HB ALA 135 1HB ALA 135 0.434 7.098 2.409 1074 2HB ALA 135 2HB ALA 135 0.536 8.673 3.227 1075 3HB ALA 135 3HB ALA 135 -0.678 8.405 1.957 1076 H ARG 136 H ARG 136 2.262 10.628 2.654 1077 HA ARG 136 HA ARG 136 0.642 12.777 1.645 1078 1HB ARG 136 1HB ARG 136 3.320 12.684 3.108 1079 2HB ARG 136 2HB ARG 136 2.511 14.196 2.684 1080 1HG ARG 136 1HG ARG 136 0.624 13.721 4.081 1081 2HG ARG 136 2HG ARG 136 1.099 12.035 4.284 1082 1HD ARG 136 1HD ARG 136 1.570 13.253 6.314 1083 2HD ARG 136 2HD ARG 136 3.074 12.686 5.576 1084 HE ARG 136 HE ARG 136 2.531 15.335 4.681 1085 1HH1 ARG 136 1HH2 ARG 136 3.424 13.655 7.708 1086 2HH1 ARG 136 2HH2 ARG 136 4.350 14.990 8.309 1087 1HH2 ARG 136 1HH1 ARG 136 3.745 17.100 5.520 1088 2HH2 ARG 136 2HH1 ARG 136 4.508 16.986 7.058 1089 H GLN 137 H GLN 137 3.937 11.602 0.758 1090 HA GLN 137 HA GLN 137 4.361 13.650 -1.173 1091 1HB GLN 137 1HB GLN 137 5.643 10.933 -0.727 1092 2HB GLN 137 2HB GLN 137 6.199 12.106 -1.943 1093 1HG GLN 137 1HG GLN 137 6.686 13.764 -0.321 1094 2HG GLN 137 2HG GLN 137 5.924 12.876 0.987 1095 1HE2 GLN 137 2HE2 GLN 137 8.804 13.875 0.238 1096 2HE2 GLN 137 1HE2 GLN 137 9.786 12.524 0.773 1097 H TRP 138 H TRP 138 3.032 10.286 -1.543 1098 HA TRP 138 HA TRP 138 2.611 10.535 -4.338 1099 1HB TRP 138 1HB TRP 138 1.332 8.810 -2.208 1100 2HB TRP 138 2HB TRP 138 0.694 8.844 -3.850 1101 HD1 TRP 138 HD1 TRP 138 3.418 7.294 -1.850 1102 HE1 TRP 138 HE1 TRP 138 5.159 6.159 -3.275 1103 HE3 TRP 138 HE3 TRP 138 1.801 8.872 -6.442 1104 HZ2 TRP 138 HZ2 TRP 138 5.799 5.914 -6.113 1105 HZ3 TRP 138 HZ3 TRP 138 3.089 8.280 -8.477 1106 HH2 TRP 138 HH2 TRP 138 5.108 6.849 -8.316 1107 H ALA 139 H ALA 139 0.392 11.427 -1.588 1108 HA ALA 139 HA ALA 139 -1.687 12.361 -3.258 1109 1HB ALA 139 1HB ALA 139 -2.385 13.685 -1.287 1110 2HB ALA 139 2HB ALA 139 -1.945 12.024 -0.833 1111 3HB ALA 139 3HB ALA 139 -0.825 13.367 -0.507 1112 H GLN 140 H GLN 140 1.228 14.062 -2.055 1113 HA GLN 140 HA GLN 140 0.653 16.644 -2.962 1114 1HB GLN 140 1HB GLN 140 2.424 16.152 -1.394 1115 2HB GLN 140 2HB GLN 140 3.263 15.148 -2.562 1116 1HG GLN 140 1HG GLN 140 4.451 17.190 -2.283 1117 2HG GLN 140 2HG GLN 140 3.828 17.110 -3.923 1118 1HE2 GLN 140 2HE2 GLN 140 1.872 18.462 -4.458 1119 2HE2 GLN 140 1HE2 GLN 140 1.598 19.928 -3.535 1120 H ALA 141 H ALA 141 2.051 13.866 -4.777 1121 HA ALA 141 HA ALA 141 2.423 15.510 -7.177 1122 1HB ALA 141 1HB ALA 141 3.149 13.408 -8.189 1123 2HB ALA 141 2HB ALA 141 3.963 13.669 -6.632 1124 3HB ALA 141 3HB ALA 141 2.624 12.499 -6.756 1125 H LEU 142 H LEU 142 0.301 12.771 -6.210 1126 HA LEU 142 HA LEU 142 -1.051 12.529 -8.652 1127 1HB LEU 142 1HB LEU 142 -1.933 11.845 -5.827 1128 2HB LEU 142 2HB LEU 142 -2.835 11.359 -7.256 1129 HG LEU 142 HG LEU 142 0.061 10.531 -6.762 1130 1HD1 LEU 142 1HD1 LEU 142 -2.503 8.977 -6.234 1131 2HD1 LEU 142 2HD1 LEU 142 -0.848 8.360 -6.047 1132 3HD1 LEU 142 3HD1 LEU 142 -1.433 9.653 -4.986 1133 1HD2 LEU 142 1HD2 LEU 142 -0.403 8.771 -8.420 1134 2HD2 LEU 142 2HD2 LEU 142 -2.033 9.422 -8.671 1135 3HD2 LEU 142 3HD2 LEU 142 -0.589 10.379 -9.118 1136 H ASN 143 H ASN 143 -2.017 14.481 -5.753 1137 HA ASN 143 HA ASN 143 -4.435 15.375 -6.999 1138 1HB ASN 143 1HB ASN 143 -4.888 16.527 -5.132 1139 2HB ASN 143 2HB ASN 143 -3.666 15.482 -4.437 1140 1HD2 ASN 143 2HD2 ASN 143 -1.384 16.451 -4.366 1141 2HD2 ASN 143 1HD2 ASN 143 -1.223 18.192 -4.179 1142 H ALA 144 H ALA 144 -1.189 16.218 -7.669 1143 HA ALA 144 HA ALA 144 -2.022 18.694 -9.051 1144 1HB ALA 144 1HB ALA 144 0.771 17.847 -8.137 1145 2HB ALA 144 2HB ALA 144 0.350 19.383 -8.925 1146 3HB ALA 144 3HB ALA 144 -0.258 19.031 -7.297 1147 H GLU 145 H GLU 145 -2.321 15.894 -9.765 1148 HA GLU 145 HA GLU 145 -2.258 14.536 -11.557 1149 1HB GLU 145 1HB GLU 145 -3.360 16.885 -12.211 1150 2HB GLU 145 2HB GLU 145 -2.043 16.963 -13.364 1151 1HG GLU 145 1HG GLU 145 -4.099 14.720 -13.106 1152 2HG GLU 145 2HG GLU 145 -4.225 16.065 -14.223 1153 H GLN 146 H GLN 146 0.148 14.495 -10.400 1154 HA GLN 146 HA GLN 146 1.794 13.751 -12.700 1155 1HB GLN 146 1HB GLN 146 2.693 15.460 -10.329 1156 2HB GLN 146 2HB GLN 146 3.830 14.597 -11.357 1157 1HG GLN 146 1HG GLN 146 1.928 16.751 -12.368 1158 2HG GLN 146 2HG GLN 146 3.602 17.006 -11.914 1159 1HE2 GLN 146 2HE2 GLN 146 1.478 15.427 -14.312 1160 2HE2 GLN 146 1HE2 GLN 146 2.725 15.205 -15.529 1161 H VAL 147 H VAL 147 3.518 12.411 -12.087 1162 HA VAL 147 HA VAL 147 3.262 10.576 -9.837 1163 HB VAL 147 HB VAL 147 3.322 8.666 -11.596 1164 1HG1 VAL 147 1HG1 VAL 147 0.705 10.162 -11.219 1165 2HG1 VAL 147 2HG1 VAL 147 0.900 8.437 -11.626 1166 3HG1 VAL 147 3HG1 VAL 147 1.440 9.045 -10.057 1167 1HG2 VAL 147 1HG2 VAL 147 1.977 10.782 -13.365 1168 2HG2 VAL 147 2HG2 VAL 147 3.572 10.056 -13.640 1169 3HG2 VAL 147 3HG2 VAL 147 2.127 9.042 -13.711 Start of MODEL 17 1 H MET 1 H MET 1 -4.956 9.165 -15.940 2 HA MET 1 HA MET 1 -4.179 9.992 -13.814 3 1HB MET 1 1HB MET 1 -5.474 12.004 -13.622 4 2HB MET 1 2HB MET 1 -7.003 11.118 -13.673 5 1HG MET 1 1HG MET 1 -6.348 11.890 -11.389 6 2HG MET 1 2HG MET 1 -6.644 10.163 -11.522 7 1HE MET 1 1HE MET 1 -5.724 9.404 -9.497 8 2HE MET 1 2HE MET 1 -4.076 9.612 -8.889 9 3HE MET 1 3HE MET 1 -5.220 10.977 -8.845 10 H PHE 2 H PHE 2 -3.980 8.304 -12.492 11 HA PHE 2 HA PHE 2 -5.673 5.951 -12.754 12 1HB PHE 2 1HB PHE 2 -4.042 5.140 -10.917 13 2HB PHE 2 2HB PHE 2 -3.474 5.355 -12.554 14 HD1 PHE 2 HD1 PHE 2 -1.875 7.092 -13.182 15 HD2 PHE 2 HD2 PHE 2 -3.176 6.605 -9.101 16 HE1 PHE 2 HE1 PHE 2 0.006 8.511 -12.410 17 HE2 PHE 2 HE2 PHE 2 -1.281 8.002 -8.330 18 HZ PHE 2 HZ PHE 2 0.303 8.979 -9.985 19 H ASN 3 H ASN 3 -7.654 7.204 -12.090 20 HA ASN 3 HA ASN 3 -7.982 8.112 -9.408 21 1HB ASN 3 1HB ASN 3 -9.541 8.677 -11.257 22 2HB ASN 3 2HB ASN 3 -10.094 6.998 -11.296 23 1HD2 ASN 3 2HD2 ASN 3 -9.883 9.906 -9.157 24 2HD2 ASN 3 1HD2 ASN 3 -11.198 9.445 -8.104 25 H ASN 4 H ASN 4 -7.802 4.849 -10.641 26 HA ASN 4 HA ASN 4 -8.917 3.777 -8.084 27 1HB ASN 4 1HB ASN 4 -10.230 3.266 -10.199 28 2HB ASN 4 2HB ASN 4 -8.814 2.393 -10.796 29 1HD2 ASN 4 2HD2 ASN 4 -9.851 0.240 -10.756 30 2HD2 ASN 4 1HD2 ASN 4 -10.290 -0.470 -9.238 31 H ILE 5 H ILE 5 -7.425 2.774 -6.819 32 HA ILE 5 HA ILE 5 -4.771 2.020 -7.998 33 HB ILE 5 HB ILE 5 -5.421 3.669 -5.524 34 1HG1 ILE 5 1HG1 ILE 5 -4.119 4.579 -8.124 35 2HG1 ILE 5 2HG1 ILE 5 -5.756 4.972 -7.598 36 1HG2 ILE 5 1HG2 ILE 5 -3.362 2.375 -5.108 37 2HG2 ILE 5 2HG2 ILE 5 -2.661 3.014 -6.612 38 3HG2 ILE 5 3HG2 ILE 5 -3.005 4.066 -5.217 39 1HD1 ILE 5 1HD1 ILE 5 -4.492 6.883 -7.161 40 2HD1 ILE 5 2HD1 ILE 5 -4.822 6.136 -5.593 41 3HD1 ILE 5 3HD1 ILE 5 -3.207 5.983 -6.347 42 H LEU 6 H LEU 6 -3.561 0.471 -6.709 43 HA LEU 6 HA LEU 6 -5.049 -0.855 -4.466 44 1HB LEU 6 1HB LEU 6 -5.295 -2.190 -6.550 45 2HB LEU 6 2HB LEU 6 -3.544 -2.199 -6.735 46 HG LEU 6 HG LEU 6 -3.389 -3.495 -4.565 47 1HD1 LEU 6 1HD1 LEU 6 -5.433 -4.609 -3.752 48 2HD1 LEU 6 2HD1 LEU 6 -5.573 -2.866 -3.617 49 3HD1 LEU 6 3HD1 LEU 6 -6.408 -3.714 -4.929 50 1HD2 LEU 6 1HD2 LEU 6 -4.128 -5.643 -5.553 51 2HD2 LEU 6 2HD2 LEU 6 -4.967 -4.751 -6.839 52 3HD2 LEU 6 3HD2 LEU 6 -3.203 -4.657 -6.689 53 H VAL 7 H VAL 7 -3.693 -1.477 -2.753 54 HA VAL 7 HA VAL 7 -0.752 -1.178 -3.174 55 HB VAL 7 HB VAL 7 -2.223 -0.920 -0.523 56 1HG1 VAL 7 1HG1 VAL 7 0.633 -0.275 -1.412 57 2HG1 VAL 7 2HG1 VAL 7 -0.043 0.092 0.179 58 3HG1 VAL 7 3HG1 VAL 7 0.133 -1.587 -0.321 59 1HG2 VAL 7 1HG2 VAL 7 -1.241 1.330 -2.339 60 2HG2 VAL 7 2HG2 VAL 7 -2.927 0.998 -1.881 61 3HG2 VAL 7 3HG2 VAL 7 -1.775 1.523 -0.656 62 H VAL 8 H VAL 8 0.511 -2.912 -2.641 63 HA VAL 8 HA VAL 8 -0.895 -5.414 -1.810 64 HB VAL 8 HB VAL 8 1.175 -5.027 -4.006 65 1HG1 VAL 8 1HG1 VAL 8 0.663 -7.300 -4.667 66 2HG1 VAL 8 2HG1 VAL 8 1.167 -7.307 -2.980 67 3HG1 VAL 8 3HG1 VAL 8 -0.563 -7.453 -3.389 68 1HG2 VAL 8 1HG2 VAL 8 -0.925 -3.986 -4.739 69 2HG2 VAL 8 2HG2 VAL 8 -0.629 -5.469 -5.621 70 3HG2 VAL 8 3HG2 VAL 8 -1.825 -5.459 -4.300 71 H CYS 9 H CYS 9 0.152 -6.537 -0.197 72 HA CYS 9 HA CYS 9 3.081 -6.146 0.206 73 1HB CYS 9 1HB CYS 9 1.017 -5.964 2.449 74 2HB CYS 9 2HB CYS 9 2.775 -5.831 2.613 75 HG CYS 9 HG CYS 9 0.533 -3.877 1.302 76 H VAL 10 H VAL 10 3.644 -7.763 2.244 77 HA VAL 10 HA VAL 10 2.535 -10.421 1.451 78 HB VAL 10 HB VAL 10 4.937 -10.335 1.561 79 1HG1 VAL 10 1HG1 VAL 10 4.732 -9.368 4.434 80 2HG1 VAL 10 2HG1 VAL 10 6.216 -9.892 3.614 81 3HG1 VAL 10 3HG1 VAL 10 5.370 -8.451 3.049 82 1HG2 VAL 10 1HG2 VAL 10 3.933 -11.822 4.008 83 2HG2 VAL 10 2HG2 VAL 10 3.816 -12.396 2.326 84 3HG2 VAL 10 3HG2 VAL 10 5.401 -12.152 3.071 85 H GLY 11 H GLY 11 1.320 -11.610 3.087 86 1HA GLY 11 1HA GLY 11 0.088 -11.926 5.001 87 2HA GLY 11 2HA GLY 11 0.889 -10.531 5.734 88 H ASN 12 H ASN 12 0.099 -8.603 3.709 89 HA ASN 12 HA ASN 12 -1.514 -7.270 2.941 90 1HB ASN 12 1HB ASN 12 -2.574 -9.255 1.995 91 2HB ASN 12 2HB ASN 12 -3.492 -9.510 3.482 92 1HD2 ASN 12 2HD2 ASN 12 -3.483 -6.110 2.974 93 2HD2 ASN 12 1HD2 ASN 12 -4.921 -6.077 1.950 94 H ILE 13 H ILE 13 -2.615 -8.893 5.935 95 HA ILE 13 HA ILE 13 -4.564 -7.143 6.707 96 HB ILE 13 HB ILE 13 -4.216 -8.068 8.999 97 1HG1 ILE 13 1HG1 ILE 13 -1.807 -9.537 7.821 98 2HG1 ILE 13 2HG1 ILE 13 -1.685 -8.136 8.881 99 1HG2 ILE 13 1HG2 ILE 13 -4.071 -10.156 6.777 100 2HG2 ILE 13 2HG2 ILE 13 -4.749 -10.369 8.402 101 3HG2 ILE 13 3HG2 ILE 13 -5.520 -9.258 7.282 102 1HD1 ILE 13 1HD1 ILE 13 -1.355 -10.136 10.182 103 2HD1 ILE 13 2HD1 ILE 13 -2.900 -9.402 10.666 104 3HD1 ILE 13 3HD1 ILE 13 -2.879 -10.837 9.618 105 H CYS 14 H CYS 14 -1.383 -5.969 6.549 106 HA CYS 14 HA CYS 14 -1.907 -4.055 8.799 107 1HB CYS 14 1HB CYS 14 0.577 -4.199 9.268 108 2HB CYS 14 2HB CYS 14 -0.396 -5.603 9.723 109 HG CYS 14 HG CYS 14 1.877 -6.479 8.870 110 H ARG 15 H ARG 15 0.624 -4.400 6.197 111 HA ARG 15 HA ARG 15 0.846 -1.529 6.220 112 1HB ARG 15 1HB ARG 15 2.079 -3.708 4.490 113 2HB ARG 15 2HB ARG 15 2.377 -1.982 4.229 114 1HG ARG 15 1HG ARG 15 3.104 -1.802 6.636 115 2HG ARG 15 2HG ARG 15 3.024 -3.565 6.749 116 1HD ARG 15 1HD ARG 15 4.725 -1.987 4.767 117 2HD ARG 15 2HD ARG 15 5.315 -2.641 6.294 118 HE ARG 15 HE ARG 15 4.370 -4.900 5.164 119 1HH1 ARG 15 1HH2 ARG 15 6.644 -2.451 4.077 120 2HH1 ARG 15 2HH2 ARG 15 7.644 -3.554 3.218 121 1HH2 ARG 15 1HH1 ARG 15 5.625 -6.307 4.086 122 2HH2 ARG 15 2HH1 ARG 15 7.002 -5.818 3.113 123 H SER 16 H SER 16 -0.553 -3.796 3.740 124 HA SER 16 HA SER 16 -1.154 -1.860 1.884 125 1HB SER 16 1HB SER 16 -3.049 -4.147 2.412 126 2HB SER 16 2HB SER 16 -2.628 -3.374 0.880 127 HG SER 16 HG SER 16 -1.558 -5.315 1.024 128 HA PRO 17 HA PRO 17 -5.386 -0.795 3.786 129 1HB PRO 17 1HB PRO 17 -5.909 -1.253 6.458 130 2HB PRO 17 2HB PRO 17 -6.377 -2.313 5.104 131 1HG PRO 17 1HG PRO 17 -3.977 -2.556 6.924 132 2HG PRO 17 2HG PRO 17 -5.101 -3.849 6.407 133 1HD PRO 17 1HD PRO 17 -2.718 -3.512 5.184 134 2HD PRO 17 2HD PRO 17 -4.178 -3.937 4.249 135 H THR 18 H THR 18 -2.436 -0.573 5.827 136 HA THR 18 HA THR 18 -3.219 1.913 7.080 137 HB THR 18 HB THR 18 -0.476 0.665 6.645 138 HG1 THR 18 1HG THR 18 -1.593 -0.688 7.905 139 1HG2 THR 18 1HG2 THR 18 0.199 2.054 8.590 140 2HG2 THR 18 2HG2 THR 18 -0.274 3.064 7.220 141 3HG2 THR 18 3HG2 THR 18 -1.399 2.841 8.574 142 H ALA 19 H ALA 19 -1.150 1.123 4.198 143 HA ALA 19 HA ALA 19 -0.702 3.868 3.489 144 1HB ALA 19 1HB ALA 19 -0.664 1.275 1.909 145 2HB ALA 19 2HB ALA 19 -0.234 2.847 1.200 146 3HB ALA 19 3HB ALA 19 0.728 2.188 2.548 147 H GLU 20 H GLU 20 -3.157 1.450 2.427 148 HA GLU 20 HA GLU 20 -4.439 3.052 0.515 149 1HB GLU 20 1HB GLU 20 -4.784 0.687 0.700 150 2HB GLU 20 2HB GLU 20 -5.392 0.834 2.345 151 1HG GLU 20 1HG GLU 20 -6.998 2.418 0.455 152 2HG GLU 20 2HG GLU 20 -6.876 0.732 -0.016 153 H ARG 21 H ARG 21 -5.239 2.733 4.048 154 HA ARG 21 HA ARG 21 -7.357 4.646 3.908 155 1HB ARG 21 1HB ARG 21 -5.651 3.546 6.167 156 2HB ARG 21 2HB ARG 21 -6.918 4.735 6.453 157 1HG ARG 21 1HG ARG 21 -7.471 2.061 5.106 158 2HG ARG 21 2HG ARG 21 -7.551 2.348 6.845 159 1HD ARG 21 1HD ARG 21 -9.142 4.270 6.366 160 2HD ARG 21 2HD ARG 21 -9.289 3.660 4.706 161 HE ARG 21 HE ARG 21 -10.277 2.500 7.231 162 1HH1 ARG 21 1HH2 ARG 21 -9.602 1.658 3.793 163 2HH1 ARG 21 2HH2 ARG 21 -10.798 0.426 3.763 164 1HH2 ARG 21 1HH1 ARG 21 -11.780 0.753 7.156 165 2HH2 ARG 21 2HH1 ARG 21 -12.081 -0.046 5.654 166 H LEU 22 H LEU 22 -3.839 5.050 4.584 167 HA LEU 22 HA LEU 22 -3.983 7.822 5.273 168 1HB LEU 22 1HB LEU 22 -1.845 6.072 4.015 169 2HB LEU 22 2HB LEU 22 -1.595 7.797 4.205 170 HG LEU 22 HG LEU 22 -2.355 6.082 6.595 171 1HD1 LEU 22 1HD1 LEU 22 0.106 5.991 7.092 172 2HD1 LEU 22 2HD1 LEU 22 -0.363 5.053 5.667 173 3HD1 LEU 22 3HD1 LEU 22 0.420 6.624 5.454 174 1HD2 LEU 22 1HD2 LEU 22 -0.900 8.754 6.291 175 2HD2 LEU 22 2HD2 LEU 22 -2.560 8.526 6.880 176 3HD2 LEU 22 3HD2 LEU 22 -1.199 7.909 7.819 177 H LEU 23 H LEU 23 -3.624 6.188 2.074 178 HA LEU 23 HA LEU 23 -3.521 8.600 0.544 179 1HB LEU 23 1HB LEU 23 -4.399 5.775 -0.158 180 2HB LEU 23 2HB LEU 23 -4.275 7.068 -1.345 181 HG LEU 23 HG LEU 23 -1.882 6.331 0.370 182 1HD1 LEU 23 1HD1 LEU 23 -2.607 4.249 -0.659 183 2HD1 LEU 23 2HD1 LEU 23 -2.730 5.038 -2.258 184 3HD1 LEU 23 3HD1 LEU 23 -1.162 4.814 -1.460 185 1HD2 LEU 23 1HD2 LEU 23 -0.622 7.265 -1.526 186 2HD2 LEU 23 2HD2 LEU 23 -2.134 7.592 -2.394 187 3HD2 LEU 23 3HD2 LEU 23 -1.758 8.455 -0.886 188 H GLN 24 H GLN 24 -6.313 6.538 1.563 189 HA GLN 24 HA GLN 24 -8.324 8.042 0.231 190 1HB GLN 24 1HB GLN 24 -8.359 6.419 2.812 191 2HB GLN 24 2HB GLN 24 -9.789 7.193 2.174 192 1HG GLN 24 1HG GLN 24 -8.169 5.043 0.743 193 2HG GLN 24 2HG GLN 24 -9.695 4.810 1.590 194 1HE2 GLN 24 2HE2 GLN 24 -11.233 6.993 0.690 195 2HE2 GLN 24 1HE2 GLN 24 -11.364 6.952 -1.067 196 H ARG 25 H ARG 25 -6.844 8.524 3.523 197 HA ARG 25 HA ARG 25 -8.473 10.747 4.166 198 1HB ARG 25 1HB ARG 25 -7.251 9.596 5.878 199 2HB ARG 25 2HB ARG 25 -5.695 9.948 5.126 200 1HG ARG 25 1HG ARG 25 -5.805 12.264 5.653 201 2HG ARG 25 2HG ARG 25 -7.525 12.195 6.056 202 1HD ARG 25 1HD ARG 25 -5.393 10.698 7.628 203 2HD ARG 25 2HD ARG 25 -5.908 12.353 8.011 204 HE ARG 25 HE ARG 25 -8.260 10.895 7.828 205 1HH1 ARG 25 1HH2 ARG 25 -5.396 10.834 9.919 206 2HH1 ARG 25 2HH2 ARG 25 -6.213 10.160 11.284 207 1HH2 ARG 25 1HH1 ARG 25 -9.371 10.029 9.605 208 2HH2 ARG 25 2HH1 ARG 25 -8.543 9.606 11.058 209 H TYR 26 H TYR 26 -5.242 10.639 2.528 210 HA TYR 26 HA TYR 26 -5.045 13.471 2.323 211 1HB TYR 26 1HB TYR 26 -3.716 11.180 0.851 212 2HB TYR 26 2HB TYR 26 -3.451 12.849 0.374 213 HD1 TYR 26 HD1 TYR 26 -2.860 14.551 2.320 214 HD2 TYR 26 HD2 TYR 26 -2.140 10.301 2.440 215 HE1 TYR 26 HE1 TYR 26 -1.151 14.897 4.068 216 HE2 TYR 26 HE2 TYR 26 -0.433 10.633 4.202 217 HH TYR 26 HH TYR 26 0.624 12.170 5.598 218 H HIS 27 H HIS 27 -6.486 11.067 0.054 219 HA HIS 27 HA HIS 27 -7.770 13.308 -1.418 220 1HB HIS 27 1HB HIS 27 -6.085 11.119 -2.670 221 2HB HIS 27 2HB HIS 27 -7.163 12.211 -3.548 222 HD1 HIS 27 HD1 HIS 27 -6.424 14.878 -3.571 223 HD2 HIS 27 HD2 HIS 27 -3.665 12.058 -2.091 224 HE1 HIS 27 HE1 HIS 27 -4.167 16.051 -3.487 225 HA PRO 28 HA PRO 28 -10.640 9.839 -0.428 226 1HB PRO 28 1HB PRO 28 -12.885 11.319 0.159 227 2HB PRO 28 2HB PRO 28 -11.561 11.012 1.321 228 1HG PRO 28 1HG PRO 28 -11.973 13.453 -0.429 229 2HG PRO 28 2HG PRO 28 -11.607 13.398 1.326 230 1HD PRO 28 1HD PRO 28 -9.666 13.797 -0.529 231 2HD PRO 28 2HD PRO 28 -9.352 12.808 0.928 232 H GLU 29 H GLU 29 -10.650 12.306 -2.874 233 HA GLU 29 HA GLU 29 -12.951 11.336 -4.357 234 1HB GLU 29 1HB GLU 29 -10.542 13.020 -5.176 235 2HB GLU 29 2HB GLU 29 -11.963 12.748 -6.182 236 1HG GLU 29 1HG GLU 29 -11.949 14.181 -3.489 237 2HG GLU 29 2HG GLU 29 -12.017 14.943 -5.070 238 H LEU 30 H LEU 30 -9.964 9.861 -3.721 239 HA LEU 30 HA LEU 30 -9.826 8.487 -6.369 240 1HB LEU 30 1HB LEU 30 -7.912 8.315 -4.013 241 2HB LEU 30 2HB LEU 30 -7.695 7.606 -5.611 242 HG LEU 30 HG LEU 30 -7.710 10.574 -4.949 243 1HD1 LEU 30 1HD1 LEU 30 -5.350 10.503 -5.527 244 2HD1 LEU 30 2HD1 LEU 30 -5.673 9.324 -4.245 245 3HD1 LEU 30 3HD1 LEU 30 -5.452 8.772 -5.918 246 1HD2 LEU 30 1HD2 LEU 30 -7.010 10.935 -7.291 247 2HD2 LEU 30 2HD2 LEU 30 -7.285 9.209 -7.629 248 3HD2 LEU 30 3HD2 LEU 30 -8.640 10.281 -7.184 249 H LYS 31 H LYS 31 -9.638 6.149 -6.294 250 HA LYS 31 HA LYS 31 -10.930 4.890 -3.896 251 1HB LYS 31 1HB LYS 31 -12.301 4.652 -5.912 252 2HB LYS 31 2HB LYS 31 -10.911 4.038 -6.825 253 1HG LYS 31 1HG LYS 31 -10.812 2.020 -5.473 254 2HG LYS 31 2HG LYS 31 -12.016 2.662 -4.334 255 1HD LYS 31 1HD LYS 31 -13.746 2.632 -6.091 256 2HD LYS 31 2HD LYS 31 -12.554 2.131 -7.287 257 1HE LYS 31 1HE LYS 31 -13.839 0.212 -6.669 258 2HE LYS 31 2HE LYS 31 -12.194 -0.001 -6.065 259 1HZ LYS 31 1HZ LYS 31 -14.020 -0.601 -4.497 260 2HZ LYS 31 2HZ LYS 31 -12.941 0.431 -3.854 261 3HZ LYS 31 3HZ LYS 31 -14.420 0.970 -4.364 262 H VAL 32 H VAL 32 -9.525 3.713 -2.751 263 HA VAL 32 HA VAL 32 -7.171 2.531 -4.110 264 HB VAL 32 HB VAL 32 -7.098 3.814 -1.355 265 1HG1 VAL 32 1HG1 VAL 32 -4.656 3.614 -1.672 266 2HG1 VAL 32 2HG1 VAL 32 -5.429 2.030 -1.776 267 3HG1 VAL 32 3HG1 VAL 32 -4.906 2.857 -3.254 268 1HG2 VAL 32 1HG2 VAL 32 -6.191 5.042 -3.991 269 2HG2 VAL 32 2HG2 VAL 32 -7.407 5.683 -2.878 270 3HG2 VAL 32 3HG2 VAL 32 -5.722 5.626 -2.387 271 H GLU 33 H GLU 33 -6.870 0.408 -3.559 272 HA GLU 33 HA GLU 33 -8.454 -0.679 -1.264 273 1HB GLU 33 1HB GLU 33 -7.976 -1.930 -3.990 274 2HB GLU 33 2HB GLU 33 -8.724 -2.751 -2.627 275 1HG GLU 33 1HG GLU 33 -9.815 -0.334 -4.123 276 2HG GLU 33 2HG GLU 33 -10.430 -1.983 -4.162 277 H SER 34 H SER 34 -7.555 -2.951 -0.710 278 HA SER 34 HA SER 34 -4.589 -2.761 -0.443 279 1HB SER 34 1HB SER 34 -5.187 -3.279 2.047 280 2HB SER 34 2HB SER 34 -5.388 -1.627 1.446 281 HG SER 34 HG SER 34 -7.421 -1.718 1.897 282 H ALA 35 H ALA 35 -3.710 -4.712 -1.038 283 HA ALA 35 HA ALA 35 -5.152 -7.238 -0.401 284 1HB ALA 35 1HB ALA 35 -4.066 -6.476 -3.146 285 2HB ALA 35 2HB ALA 35 -4.764 -8.045 -2.702 286 3HB ALA 35 3HB ALA 35 -5.791 -6.613 -2.704 287 H GLY 36 H GLY 36 -3.429 -9.089 -1.333 288 1HA GLY 36 1HA GLY 36 -0.659 -8.191 -1.121 289 2HA GLY 36 2HA GLY 36 -1.186 -9.252 0.186 290 H LEU 37 H LEU 37 0.937 -9.921 -1.430 291 HA LEU 37 HA LEU 37 0.147 -11.692 -3.612 292 1HB LEU 37 1HB LEU 37 2.725 -11.727 -1.975 293 2HB LEU 37 2HB LEU 37 2.409 -12.582 -3.473 294 HG LEU 37 HG LEU 37 2.914 -9.633 -3.058 295 1HD1 LEU 37 1HD1 LEU 37 4.661 -10.040 -4.722 296 2HD1 LEU 37 2HD1 LEU 37 4.794 -11.283 -3.442 297 3HD1 LEU 37 3HD1 LEU 37 4.072 -11.688 -5.001 298 1HD2 LEU 37 1HD2 LEU 37 2.461 -9.287 -5.490 299 2HD2 LEU 37 2HD2 LEU 37 1.755 -10.921 -5.553 300 3HD2 LEU 37 3HD2 LEU 37 1.006 -9.648 -4.557 301 H GLY 38 H GLY 38 0.845 -12.011 -0.151 302 1HA GLY 38 1HA GLY 38 -0.239 -14.805 -0.158 303 2HA GLY 38 2HA GLY 38 1.168 -14.310 0.812 304 H ALA 39 H ALA 39 -2.082 -13.004 0.006 305 HA ALA 39 HA ALA 39 -2.398 -11.649 2.536 306 1HB ALA 39 1HB ALA 39 -4.674 -11.210 1.715 307 2HB ALA 39 2HB ALA 39 -3.525 -10.959 0.391 308 3HB ALA 39 3HB ALA 39 -4.489 -12.459 0.475 309 H LEU 40 H LEU 40 -4.282 -12.084 3.949 310 HA LEU 40 HA LEU 40 -4.608 -15.010 4.520 311 1HB LEU 40 1HB LEU 40 -4.530 -12.583 6.361 312 2HB LEU 40 2HB LEU 40 -4.842 -14.242 6.877 313 HG LEU 40 HG LEU 40 -2.244 -13.330 5.550 314 1HD1 LEU 40 1HD1 LEU 40 -2.842 -13.773 8.499 315 2HD1 LEU 40 2HD1 LEU 40 -1.249 -13.425 7.790 316 3HD1 LEU 40 3HD1 LEU 40 -2.534 -12.214 7.698 317 1HD2 LEU 40 1HD2 LEU 40 -2.627 -15.735 5.261 318 2HD2 LEU 40 2HD2 LEU 40 -1.341 -15.465 6.435 319 3HD2 LEU 40 3HD2 LEU 40 -2.966 -15.917 6.996 320 H VAL 41 H VAL 41 -6.255 -14.743 2.812 321 HA VAL 41 HA VAL 41 -8.159 -12.843 2.594 322 HB VAL 41 HB VAL 41 -8.643 -15.794 2.060 323 1HG1 VAL 41 1HG1 VAL 41 -10.043 -14.945 0.193 324 2HG1 VAL 41 2HG1 VAL 41 -10.667 -14.415 1.755 325 3HG1 VAL 41 3HG1 VAL 41 -9.764 -13.277 0.737 326 1HG2 VAL 41 1HG2 VAL 41 -7.732 -15.235 -0.238 327 2HG2 VAL 41 2HG2 VAL 41 -7.147 -13.696 0.435 328 3HG2 VAL 41 3HG2 VAL 41 -6.518 -15.245 1.034 329 H GLY 42 H GLY 42 -9.797 -12.044 3.687 330 1HA GLY 42 1HA GLY 42 -11.889 -12.214 4.727 331 2HA GLY 42 2HA GLY 42 -11.484 -13.810 5.362 332 H LYS 43 H LYS 43 -8.738 -12.640 6.369 333 HA LYS 43 HA LYS 43 -9.709 -11.947 8.998 334 1HB LYS 43 1HB LYS 43 -6.928 -11.678 7.762 335 2HB LYS 43 2HB LYS 43 -7.318 -11.346 9.454 336 1HG LYS 43 1HG LYS 43 -8.286 -13.726 9.574 337 2HG LYS 43 2HG LYS 43 -7.499 -14.019 8.014 338 1HD LYS 43 1HD LYS 43 -5.301 -13.392 9.060 339 2HD LYS 43 2HD LYS 43 -6.137 -13.151 10.607 340 1HE LYS 43 1HE LYS 43 -6.950 -15.532 10.487 341 2HE LYS 43 2HE LYS 43 -5.981 -15.763 9.028 342 1HZ LYS 43 1HZ LYS 43 -3.997 -15.295 10.370 343 2HZ LYS 43 2HZ LYS 43 -4.911 -15.078 11.710 344 3HZ LYS 43 3HZ LYS 43 -4.832 -16.540 11.004 345 H GLY 44 H GLY 44 -9.597 -9.961 10.123 346 1HA GLY 44 1HA GLY 44 -10.123 -7.578 8.522 347 2HA GLY 44 2HA GLY 44 -10.100 -7.711 10.285 348 H ALA 45 H ALA 45 -8.953 -5.539 9.834 349 HA ALA 45 HA ALA 45 -6.191 -5.591 8.991 350 1HB ALA 45 1HB ALA 45 -7.428 -3.500 8.939 351 2HB ALA 45 2HB ALA 45 -7.758 -3.594 10.678 352 3HB ALA 45 3HB ALA 45 -6.093 -3.362 10.097 353 H ASP 46 H ASP 46 -4.337 -5.538 10.292 354 HA ASP 46 HA ASP 46 -4.273 -7.426 12.389 355 1HB ASP 46 1HB ASP 46 -2.413 -7.041 10.903 356 2HB ASP 46 2HB ASP 46 -2.267 -5.367 11.419 357 HA PRO 47 HA PRO 47 -5.552 -4.931 15.872 358 1HB PRO 47 1HB PRO 47 -3.591 -6.624 17.428 359 2HB PRO 47 2HB PRO 47 -5.276 -6.179 17.846 360 1HG PRO 47 1HG PRO 47 -4.724 -8.624 16.818 361 2HG PRO 47 2HG PRO 47 -6.154 -7.709 16.237 362 1HD PRO 47 1HD PRO 47 -3.453 -8.014 14.915 363 2HD PRO 47 2HD PRO 47 -5.094 -8.059 14.198 364 H THR 48 H THR 48 -2.005 -5.339 15.362 365 HA THR 48 HA THR 48 -1.472 -3.082 17.193 366 HB THR 48 HB THR 48 0.524 -4.645 15.546 367 HG1 THR 48 1HG THR 48 -0.524 -5.187 18.139 368 1HG2 THR 48 1HG2 THR 48 1.390 -2.572 16.554 369 2HG2 THR 48 2HG2 THR 48 0.704 -3.025 18.120 370 3HG2 THR 48 3HG2 THR 48 2.043 -3.975 17.424 371 H ALA 49 H ALA 49 -1.648 -3.841 13.688 372 HA ALA 49 HA ALA 49 -0.681 -1.291 12.783 373 1HB ALA 49 1HB ALA 49 -2.786 -3.084 11.502 374 2HB ALA 49 2HB ALA 49 -1.853 -1.796 10.715 375 3HB ALA 49 3HB ALA 49 -1.027 -3.253 11.288 376 H ILE 50 H ILE 50 -3.958 -2.502 13.683 377 HA ILE 50 HA ILE 50 -5.358 -0.050 13.401 378 HB ILE 50 HB ILE 50 -5.741 -2.394 15.274 379 1HG1 ILE 50 1HG1 ILE 50 -7.417 -1.599 12.853 380 2HG1 ILE 50 2HG1 ILE 50 -6.054 -2.701 12.727 381 1HG2 ILE 50 1HG2 ILE 50 -8.052 -1.548 15.721 382 2HG2 ILE 50 2HG2 ILE 50 -6.835 -0.454 16.329 383 3HG2 ILE 50 3HG2 ILE 50 -7.669 -0.073 14.808 384 1HD1 ILE 50 1HD1 ILE 50 -8.581 -3.180 14.365 385 2HD1 ILE 50 2HD1 ILE 50 -8.101 -3.990 12.880 386 3HD1 ILE 50 3HD1 ILE 50 -7.154 -4.245 14.353 387 H SER 51 H SER 51 -3.511 -1.370 16.254 388 HA SER 51 HA SER 51 -4.133 0.703 18.019 389 1HB SER 51 1HB SER 51 -1.501 -0.823 17.791 390 2HB SER 51 2HB SER 51 -2.006 0.167 19.151 391 HG SER 51 HG SER 51 -3.413 -2.133 18.206 392 H VAL 52 H VAL 52 -1.215 0.589 15.825 393 HA VAL 52 HA VAL 52 -0.442 3.226 16.634 394 HB VAL 52 HB VAL 52 1.174 3.163 14.821 395 1HG1 VAL 52 1HG1 VAL 52 2.491 1.307 15.679 396 2HG1 VAL 52 2HG1 VAL 52 1.606 2.051 17.010 397 3HG1 VAL 52 3HG1 VAL 52 1.049 0.507 16.324 398 1HG2 VAL 52 1HG2 VAL 52 -0.108 1.964 13.065 399 2HG2 VAL 52 2HG2 VAL 52 1.475 1.240 13.363 400 3HG2 VAL 52 3HG2 VAL 52 0.019 0.471 14.009 401 H ALA 53 H ALA 53 -2.623 2.097 14.018 402 HA ALA 53 HA ALA 53 -2.690 4.706 12.765 403 1HB ALA 53 1HB ALA 53 -4.718 2.446 12.585 404 2HB ALA 53 2HB ALA 53 -4.424 3.760 11.419 405 3HB ALA 53 3HB ALA 53 -3.205 2.509 11.645 406 H ALA 54 H ALA 54 -4.620 3.108 15.330 407 HA ALA 54 HA ALA 54 -6.662 5.085 15.496 408 1HB ALA 54 1HB ALA 54 -5.558 3.224 17.646 409 2HB ALA 54 2HB ALA 54 -7.094 4.109 17.722 410 3HB ALA 54 3HB ALA 54 -6.866 2.844 16.500 411 H GLU 55 H GLU 55 -3.356 4.962 16.901 412 HA GLU 55 HA GLU 55 -3.589 7.209 18.574 413 1HB GLU 55 1HB GLU 55 -1.664 5.569 18.335 414 2HB GLU 55 2HB GLU 55 -1.137 6.497 16.922 415 1HG GLU 55 1HG GLU 55 -0.842 8.501 18.301 416 2HG GLU 55 2HG GLU 55 -1.536 7.681 19.702 417 H HIS 56 H HIS 56 -3.672 7.060 15.091 418 HA HIS 56 HA HIS 56 -3.648 10.035 14.886 419 1HB HIS 56 1HB HIS 56 -3.033 7.929 12.779 420 2HB HIS 56 2HB HIS 56 -3.045 9.673 12.517 421 HD1 HIS 56 HD1 HIS 56 -1.083 11.071 14.021 422 HD2 HIS 56 HD2 HIS 56 -0.766 6.892 13.628 423 HE1 HIS 56 HE1 HIS 56 1.300 10.469 14.679 424 H GLN 57 H GLN 57 -5.815 7.901 15.577 425 HA GLN 57 HA GLN 57 -7.958 7.405 15.093 426 1HB GLN 57 1HB GLN 57 -8.019 10.367 14.390 427 2HB GLN 57 2HB GLN 57 -9.416 9.356 14.747 428 1HG GLN 57 1HG GLN 57 -9.008 10.495 16.747 429 2HG GLN 57 2HG GLN 57 -8.408 8.867 17.026 430 1HE2 GLN 57 2HE2 GLN 57 -6.261 8.675 17.761 431 2HE2 GLN 57 1HE2 GLN 57 -5.091 9.973 17.736 432 H LEU 58 H LEU 58 -6.400 6.453 13.076 433 HA LEU 58 HA LEU 58 -7.873 7.092 10.550 434 1HB LEU 58 1HB LEU 58 -5.520 7.777 10.680 435 2HB LEU 58 2HB LEU 58 -5.026 6.134 11.027 436 HG LEU 58 HG LEU 58 -4.682 7.163 8.699 437 1HD1 LEU 58 1HD1 LEU 58 -4.303 4.781 9.286 438 2HD1 LEU 58 2HD1 LEU 58 -5.966 4.426 8.770 439 3HD1 LEU 58 3HD1 LEU 58 -4.760 5.059 7.613 440 1HD2 LEU 58 1HD2 LEU 58 -6.438 6.978 7.073 441 2HD2 LEU 58 2HD2 LEU 58 -7.571 6.302 8.265 442 3HD2 LEU 58 3HD2 LEU 58 -7.013 7.985 8.394 443 H SER 59 H SER 59 -9.535 5.667 10.972 444 HA SER 59 HA SER 59 -9.235 3.152 12.177 445 1HB SER 59 1HB SER 59 -11.531 4.130 10.436 446 2HB SER 59 2HB SER 59 -11.596 2.897 11.709 447 HG SER 59 HG SER 59 -12.316 4.953 12.438 448 H LEU 60 H LEU 60 -7.843 1.669 11.186 449 HA LEU 60 HA LEU 60 -8.036 0.920 8.405 450 1HB LEU 60 1HB LEU 60 -7.137 -0.867 10.684 451 2HB LEU 60 2HB LEU 60 -6.769 -1.030 8.973 452 HG LEU 60 HG LEU 60 -5.705 1.061 10.896 453 1HD1 LEU 60 1HD1 LEU 60 -4.693 -1.210 10.978 454 2HD1 LEU 60 2HD1 LEU 60 -4.298 -1.088 9.252 455 3HD1 LEU 60 3HD1 LEU 60 -3.550 0.024 10.413 456 1HD2 LEU 60 1HD2 LEU 60 -4.341 1.915 9.026 457 2HD2 LEU 60 2HD2 LEU 60 -5.224 0.857 7.895 458 3HD2 LEU 60 3HD2 LEU 60 -6.063 2.173 8.742 459 H GLU 61 H GLU 61 -9.879 0.102 11.280 460 HA GLU 61 HA GLU 61 -11.093 -2.251 10.686 461 1HB GLU 61 1HB GLU 61 -11.449 -0.853 12.700 462 2HB GLU 61 2HB GLU 61 -12.456 0.257 11.759 463 1HG GLU 61 1HG GLU 61 -14.070 -1.578 11.322 464 2HG GLU 61 2HG GLU 61 -13.033 -2.708 12.197 465 H GLY 62 H GLY 62 -12.543 -3.074 9.277 466 1HA GLY 62 1HA GLY 62 -14.405 -2.814 7.728 467 2HA GLY 62 2HA GLY 62 -13.736 -1.261 7.206 468 H HIS 63 H HIS 63 -10.899 -2.409 7.313 469 HA HIS 63 HA HIS 63 -10.638 -3.460 4.667 470 1HB HIS 63 1HB HIS 63 -8.740 -2.402 5.734 471 2HB HIS 63 2HB HIS 63 -8.838 -3.496 7.119 472 HD1 HIS 63 HD1 HIS 63 -7.859 -3.664 3.350 473 HD2 HIS 63 HD2 HIS 63 -7.638 -5.852 6.953 474 HE1 HIS 63 HE1 HIS 63 -6.583 -5.780 2.839 475 H CYS 64 H CYS 64 -10.662 -5.513 3.945 476 HA CYS 64 HA CYS 64 -10.574 -7.777 5.863 477 1HB CYS 64 1HB CYS 64 -12.461 -7.428 3.493 478 2HB CYS 64 2HB CYS 64 -12.195 -8.962 4.349 479 HG CYS 64 HG CYS 64 -13.275 -6.077 5.575 480 H ALA 65 H ALA 65 -8.896 -9.060 5.287 481 HA ALA 65 HA ALA 65 -7.198 -8.336 3.146 482 1HB ALA 65 1HB ALA 65 -6.003 -10.478 3.781 483 2HB ALA 65 2HB ALA 65 -6.297 -9.347 5.115 484 3HB ALA 65 3HB ALA 65 -7.328 -10.779 4.934 485 H ARG 66 H ARG 66 -6.580 -9.435 1.282 486 HA ARG 66 HA ARG 66 -8.372 -11.435 0.055 487 1HB ARG 66 1HB ARG 66 -9.018 -9.772 -1.763 488 2HB ARG 66 2HB ARG 66 -9.777 -9.537 -0.193 489 1HG ARG 66 1HG ARG 66 -7.949 -7.758 0.271 490 2HG ARG 66 2HG ARG 66 -7.574 -7.849 -1.447 491 1HD ARG 66 1HD ARG 66 -9.670 -6.926 -2.046 492 2HD ARG 66 2HD ARG 66 -10.410 -7.358 -0.486 493 HE ARG 66 HE ARG 66 -8.293 -5.681 0.143 494 1HH1 ARG 66 1HH2 ARG 66 -11.234 -5.234 -1.853 495 2HH1 ARG 66 2HH2 ARG 66 -11.296 -3.521 -1.474 496 1HH2 ARG 66 2HH1 ARG 66 -8.678 -3.459 0.804 497 2HH2 ARG 66 1HH1 ARG 66 -9.926 -2.579 -0.078 498 H GLN 67 H GLN 67 -7.139 -12.555 -1.444 499 HA GLN 67 HA GLN 67 -4.352 -11.734 -1.779 500 1HB GLN 67 1HB GLN 67 -5.210 -14.166 -1.469 501 2HB GLN 67 2HB GLN 67 -5.734 -14.058 -3.162 502 1HG GLN 67 1HG GLN 67 -3.349 -13.491 -3.789 503 2HG GLN 67 2HG GLN 67 -2.903 -13.627 -2.094 504 1HE2 GLN 67 2HE2 GLN 67 -1.312 -15.164 -3.035 505 2HE2 GLN 67 1HE2 GLN 67 -1.802 -16.831 -3.289 506 H ILE 68 H ILE 68 -3.367 -11.067 -3.557 507 HA ILE 68 HA ILE 68 -4.877 -9.648 -5.526 508 HB ILE 68 HB ILE 68 -2.497 -9.237 -4.765 509 1HG1 ILE 68 1HG1 ILE 68 -2.934 -9.418 -7.779 510 2HG1 ILE 68 2HG1 ILE 68 -3.598 -8.163 -6.724 511 1HG2 ILE 68 1HG2 ILE 68 -1.762 -11.445 -6.732 512 2HG2 ILE 68 2HG2 ILE 68 -0.670 -10.431 -5.784 513 3HG2 ILE 68 3HG2 ILE 68 -1.700 -11.608 -4.965 514 1HD1 ILE 68 1HD1 ILE 68 -1.226 -7.609 -6.045 515 2HD1 ILE 68 2HD1 ILE 68 -0.673 -8.679 -7.355 516 3HD1 ILE 68 3HD1 ILE 68 -1.658 -7.247 -7.725 517 H SER 69 H SER 69 -5.139 -10.187 -7.711 518 HA SER 69 HA SER 69 -4.529 -12.915 -8.633 519 1HB SER 69 1HB SER 69 -6.784 -13.270 -9.464 520 2HB SER 69 2HB SER 69 -6.882 -12.903 -7.727 521 HG SER 69 HG SER 69 -8.414 -11.707 -8.833 522 H ARG 70 H ARG 70 -4.737 -12.912 -11.149 523 HA ARG 70 HA ARG 70 -3.524 -10.538 -12.213 524 1HB ARG 70 1HB ARG 70 -3.362 -12.904 -13.133 525 2HB ARG 70 2HB ARG 70 -4.978 -12.679 -13.824 526 1HG ARG 70 1HG ARG 70 -4.136 -10.775 -15.180 527 2HG ARG 70 2HG ARG 70 -2.555 -10.898 -14.380 528 1HD ARG 70 1HD ARG 70 -2.364 -13.251 -15.241 529 2HD ARG 70 2HD ARG 70 -3.851 -12.986 -16.179 530 HE ARG 70 HE ARG 70 -2.207 -10.873 -16.897 531 1HH1 ARG 70 1HH2 ARG 70 -1.978 -14.425 -17.090 532 2HH1 ARG 70 2HH2 ARG 70 -0.853 -14.413 -18.396 533 1HH2 ARG 70 1HH1 ARG 70 -0.624 -10.853 -18.455 534 2HH2 ARG 70 2HH1 ARG 70 -0.118 -12.313 -19.274 535 H ARG 71 H ARG 71 -6.935 -11.613 -11.968 536 HA ARG 71 HA ARG 71 -8.063 -9.507 -13.537 537 1HB ARG 71 1HB ARG 71 -9.194 -10.994 -11.120 538 2HB ARG 71 2HB ARG 71 -10.111 -9.892 -12.153 539 1HG ARG 71 1HG ARG 71 -9.653 -11.340 -14.123 540 2HG ARG 71 2HG ARG 71 -8.780 -12.478 -13.079 541 1HD ARG 71 1HD ARG 71 -10.863 -12.806 -11.730 542 2HD ARG 71 2HD ARG 71 -11.710 -11.685 -12.795 543 HE ARG 71 HE ARG 71 -11.795 -13.247 -14.483 544 1HH1 ARG 71 1HH2 ARG 71 -9.840 -14.564 -11.822 545 2HH1 ARG 71 2HH2 ARG 71 -9.831 -16.174 -12.440 546 1HH2 ARG 71 1HH1 ARG 71 -11.785 -15.390 -15.300 547 2HH2 ARG 71 2HH1 ARG 71 -10.968 -16.651 -14.459 548 H LEU 72 H LEU 72 -7.245 -9.634 -9.989 549 HA LEU 72 HA LEU 72 -8.021 -6.934 -9.533 550 1HB LEU 72 1HB LEU 72 -6.319 -8.918 -8.080 551 2HB LEU 72 2HB LEU 72 -5.938 -7.221 -7.799 552 HG LEU 72 HG LEU 72 -8.375 -6.809 -7.345 553 1HD1 LEU 72 1HD1 LEU 72 -9.334 -8.863 -8.344 554 2HD1 LEU 72 2HD1 LEU 72 -8.522 -9.839 -7.100 555 3HD1 LEU 72 3HD1 LEU 72 -9.793 -8.685 -6.646 556 1HD2 LEU 72 1HD2 LEU 72 -6.669 -6.979 -5.547 557 2HD2 LEU 72 2HD2 LEU 72 -8.247 -7.575 -5.020 558 3HD2 LEU 72 3HD2 LEU 72 -6.969 -8.732 -5.441 559 H CYS 73 H CYS 73 -4.843 -8.274 -10.649 560 HA CYS 73 HA CYS 73 -3.499 -5.813 -10.605 561 1HB CYS 73 1HB CYS 73 -3.147 -8.076 -12.634 562 2HB CYS 73 2HB CYS 73 -2.002 -6.763 -12.348 563 HG CYS 73 HG CYS 73 -3.071 -9.034 -10.171 564 H ARG 74 H ARG 74 -5.793 -7.044 -13.061 565 HA ARG 74 HA ARG 74 -5.291 -4.815 -14.896 566 1HB ARG 74 1HB ARG 74 -7.470 -6.947 -14.735 567 2HB ARG 74 2HB ARG 74 -7.332 -5.770 -16.044 568 1HG ARG 74 1HG ARG 74 -5.189 -6.650 -16.743 569 2HG ARG 74 2HG ARG 74 -5.098 -7.724 -15.339 570 1HD ARG 74 1HD ARG 74 -7.125 -8.925 -16.114 571 2HD ARG 74 2HD ARG 74 -7.178 -7.881 -17.556 572 HE ARG 74 HE ARG 74 -4.582 -9.000 -17.384 573 1HH1 ARG 74 1HH2 ARG 74 -7.877 -10.203 -18.032 574 2HH1 ARG 74 2HH2 ARG 74 -7.319 -11.525 -18.991 575 1HH2 ARG 74 1HH1 ARG 74 -3.889 -10.594 -18.572 576 2HH2 ARG 74 2HH1 ARG 74 -4.932 -11.782 -19.339 577 H ASN 75 H ASN 75 -7.392 -5.364 -12.120 578 HA ASN 75 HA ASN 75 -9.563 -3.750 -12.936 579 1HB ASN 75 1HB ASN 75 -9.693 -5.492 -11.190 580 2HB ASN 75 2HB ASN 75 -8.668 -4.520 -10.132 581 1HD2 ASN 75 1HD2 ASN 75 -9.714 -3.057 -8.757 582 2HD2 ASN 75 2HD2 ASN 75 -11.417 -2.674 -8.888 583 H TYR 76 H TYR 76 -6.494 -2.785 -11.469 584 HA TYR 76 HA TYR 76 -7.596 -0.036 -11.039 585 1HB TYR 76 1HB TYR 76 -5.263 -1.016 -9.436 586 2HB TYR 76 2HB TYR 76 -6.385 0.275 -9.096 587 HD1 TYR 76 HD1 TYR 76 -5.987 -3.408 -9.132 588 HD2 TYR 76 HD2 TYR 76 -8.220 -0.083 -7.609 589 HE1 TYR 76 HE1 TYR 76 -7.227 -4.937 -7.638 590 HE2 TYR 76 HE2 TYR 76 -9.529 -1.585 -6.178 591 HH TYR 76 HH TYR 76 -9.852 -3.812 -5.456 592 H ASP 77 H ASP 77 -6.013 1.688 -11.514 593 HA ASP 77 HA ASP 77 -4.556 0.832 -13.936 594 1HB ASP 77 1HB ASP 77 -6.253 2.632 -14.027 595 2HB ASP 77 2HB ASP 77 -5.248 3.612 -12.956 596 H LEU 78 H LEU 78 -3.741 1.555 -10.699 597 HA LEU 78 HA LEU 78 -0.888 1.641 -11.398 598 1HB LEU 78 1HB LEU 78 -1.941 4.020 -11.096 599 2HB LEU 78 2HB LEU 78 -2.047 3.625 -9.394 600 HG LEU 78 HG LEU 78 -0.142 5.014 -9.872 601 1HD1 LEU 78 1HD1 LEU 78 1.021 2.265 -9.325 602 2HD1 LEU 78 2HD1 LEU 78 1.658 3.841 -8.849 603 3HD1 LEU 78 3HD1 LEU 78 0.152 3.264 -8.129 604 1HD2 LEU 78 1HD2 LEU 78 0.156 4.408 -12.253 605 2HD2 LEU 78 2HD2 LEU 78 1.678 4.432 -11.351 606 3HD2 LEU 78 3HD2 LEU 78 0.923 2.881 -11.764 607 H ILE 79 H ILE 79 0.133 0.224 -10.048 608 HA ILE 79 HA ILE 79 -1.344 -0.708 -7.625 609 HB ILE 79 HB ILE 79 0.530 -2.396 -9.319 610 1HG1 ILE 79 1HG1 ILE 79 -1.410 -1.934 -10.734 611 2HG1 ILE 79 2HG1 ILE 79 -1.309 -3.619 -10.253 612 1HG2 ILE 79 1HG2 ILE 79 0.410 -3.197 -7.072 613 2HG2 ILE 79 2HG2 ILE 79 -1.347 -2.971 -6.995 614 3HG2 ILE 79 3HG2 ILE 79 -0.662 -4.244 -8.010 615 1HD1 ILE 79 1HD1 ILE 79 -3.618 -2.708 -10.276 616 2HD1 ILE 79 2HD1 ILE 79 -3.145 -3.373 -8.707 617 3HD1 ILE 79 3HD1 ILE 79 -3.167 -1.607 -8.957 618 H LEU 80 H LEU 80 -0.174 -0.653 -5.780 619 HA LEU 80 HA LEU 80 2.690 0.173 -5.952 620 1HB LEU 80 1HB LEU 80 0.660 0.598 -3.714 621 2HB LEU 80 2HB LEU 80 2.368 0.974 -3.627 622 HG LEU 80 HG LEU 80 1.316 3.007 -3.958 623 1HD1 LEU 80 1HD1 LEU 80 2.268 2.218 -6.741 624 2HD1 LEU 80 2HD1 LEU 80 2.118 3.850 -6.092 625 3HD1 LEU 80 3HD1 LEU 80 3.310 2.736 -5.397 626 1HD2 LEU 80 1HD2 LEU 80 -0.314 3.592 -5.608 627 2HD2 LEU 80 2HD2 LEU 80 -0.288 1.959 -6.296 628 3HD2 LEU 80 3HD2 LEU 80 -0.883 2.217 -4.649 629 H THR 81 H THR 81 4.135 -0.884 -4.772 630 HA THR 81 HA THR 81 3.293 -3.214 -3.126 631 HB THR 81 HB THR 81 5.402 -4.298 -3.903 632 HG1 THR 81 1HG THR 81 5.361 -2.174 -5.782 633 1HG2 THR 81 1HG2 THR 81 3.363 -3.716 -6.092 634 2HG2 THR 81 2HG2 THR 81 4.597 -4.985 -6.155 635 3HG2 THR 81 3HG2 THR 81 3.329 -5.051 -4.921 636 H MET 82 H MET 82 5.685 -3.615 -1.693 637 HA MET 82 HA MET 82 6.677 -0.878 -1.022 638 1HB MET 82 1HB MET 82 5.709 -3.014 0.918 639 2HB MET 82 2HB MET 82 6.572 -1.536 1.349 640 1HG MET 82 1HG MET 82 4.727 -0.253 0.111 641 2HG MET 82 2HG MET 82 3.814 -1.767 0.158 642 1HE MET 82 1HE MET 82 1.892 0.202 2.820 643 2HE MET 82 2HE MET 82 2.514 0.762 1.248 644 3HE MET 82 3HE MET 82 1.819 -0.869 1.411 645 H GLU 83 H GLU 83 7.585 -4.067 -1.866 646 HA GLU 83 HA GLU 83 10.375 -3.384 -1.153 647 1HB GLU 83 1HB GLU 83 8.964 -6.002 -0.468 648 2HB GLU 83 2HB GLU 83 10.721 -5.792 -0.460 649 1HG GLU 83 1HG GLU 83 10.550 -4.041 1.264 650 2HG GLU 83 2HG GLU 83 8.785 -4.147 1.238 651 H LYS 84 H LYS 84 11.902 -4.323 -2.650 652 HA LYS 84 HA LYS 84 10.880 -4.075 -5.265 653 1HB LYS 84 1HB LYS 84 13.593 -5.146 -4.391 654 2HB LYS 84 2HB LYS 84 13.172 -4.595 -6.020 655 1HG LYS 84 1HG LYS 84 12.650 -2.329 -5.117 656 2HG LYS 84 2HG LYS 84 13.126 -2.872 -3.500 657 1HD LYS 84 1HD LYS 84 15.415 -3.417 -4.456 658 2HD LYS 84 2HD LYS 84 14.934 -2.575 -5.935 659 1HE LYS 84 1HE LYS 84 14.930 -1.384 -3.118 660 2HE LYS 84 2HE LYS 84 16.239 -1.163 -4.278 661 1HZ LYS 84 1HZ LYS 84 13.494 -0.320 -4.933 662 2HZ LYS 84 2HZ LYS 84 14.498 0.659 -4.105 663 3HZ LYS 84 3HZ LYS 84 14.893 0.188 -5.625 664 H ARG 85 H ARG 85 11.495 -7.053 -3.421 665 HA ARG 85 HA ARG 85 11.213 -8.892 -5.587 666 1HB ARG 85 1HB ARG 85 10.646 -10.556 -3.964 667 2HB ARG 85 2HB ARG 85 11.936 -9.550 -3.304 668 1HG ARG 85 1HG ARG 85 10.251 -8.321 -1.927 669 2HG ARG 85 2HG ARG 85 8.971 -9.342 -2.599 670 1HD ARG 85 1HD ARG 85 10.029 -11.348 -1.634 671 2HD ARG 85 2HD ARG 85 11.274 -10.335 -0.889 672 HE ARG 85 HE ARG 85 8.401 -10.521 -0.201 673 1HH1 ARG 85 1HH2 ARG 85 11.526 -9.084 0.651 674 2HH1 ARG 85 2HH2 ARG 85 10.850 -7.933 1.772 675 1HH2 ARG 85 1HH1 ARG 85 7.508 -8.846 1.141 676 2HH2 ARG 85 2HH1 ARG 85 8.551 -7.899 2.138 677 H HIS 86 H HIS 86 8.722 -6.993 -3.840 678 HA HIS 86 HA HIS 86 6.582 -8.653 -4.876 679 1HB HIS 86 1HB HIS 86 6.613 -5.971 -3.449 680 2HB HIS 86 2HB HIS 86 5.136 -6.797 -3.949 681 HD1 HIS 86 HD1 HIS 86 5.855 -9.744 -3.009 682 HD2 HIS 86 HD2 HIS 86 6.339 -6.207 -0.798 683 HE1 HIS 86 HE1 HIS 86 5.728 -10.414 -0.567 684 H ILE 87 H ILE 87 8.153 -5.596 -5.905 685 HA ILE 87 HA ILE 87 6.426 -5.011 -8.083 686 HB ILE 87 HB ILE 87 9.460 -4.774 -8.112 687 1HG1 ILE 87 1HG1 ILE 87 7.605 -2.630 -7.028 688 2HG1 ILE 87 2HG1 ILE 87 8.549 -3.716 -6.001 689 1HG2 ILE 87 1HG2 ILE 87 9.111 -2.942 -9.674 690 2HG2 ILE 87 2HG2 ILE 87 8.201 -4.328 -10.254 691 3HG2 ILE 87 3HG2 ILE 87 7.355 -3.004 -9.422 692 1HD1 ILE 87 1HD1 ILE 87 10.623 -2.884 -7.295 693 2HD1 ILE 87 2HD1 ILE 87 9.567 -1.565 -7.861 694 3HD1 ILE 87 3HD1 ILE 87 9.856 -1.805 -6.128 695 H GLU 88 H GLU 88 9.400 -7.051 -7.851 696 HA GLU 88 HA GLU 88 9.416 -7.799 -10.553 697 1HB GLU 88 1HB GLU 88 11.303 -7.842 -8.992 698 2HB GLU 88 2HB GLU 88 10.612 -9.192 -8.114 699 1HG GLU 88 1HG GLU 88 11.352 -9.285 -11.074 700 2HG GLU 88 2HG GLU 88 12.492 -9.667 -9.786 701 H ARG 89 H ARG 89 7.960 -9.533 -7.742 702 HA ARG 89 HA ARG 89 7.136 -11.808 -9.269 703 1HB ARG 89 1HB ARG 89 6.028 -10.622 -6.704 704 2HB ARG 89 2HB ARG 89 5.522 -12.176 -7.364 705 1HG ARG 89 1HG ARG 89 8.403 -11.547 -6.595 706 2HG ARG 89 2HG ARG 89 7.222 -12.263 -5.503 707 1HD ARG 89 1HD ARG 89 8.533 -14.028 -6.293 708 2HD ARG 89 2HD ARG 89 6.998 -14.167 -7.166 709 HE ARG 89 HE ARG 89 9.403 -12.785 -8.334 710 1HH1 ARG 89 1HH2 ARG 89 7.031 -15.437 -8.666 711 2HH1 ARG 89 2HH2 ARG 89 7.382 -15.676 -10.354 712 1HH2 ARG 89 1HH1 ARG 89 9.908 -13.174 -10.463 713 2HH2 ARG 89 2HH1 ARG 89 9.164 -14.493 -11.340 714 H LEU 90 H LEU 90 5.465 -8.687 -8.535 715 HA LEU 90 HA LEU 90 3.038 -9.512 -9.797 716 1HB LEU 90 1HB LEU 90 3.422 -7.605 -8.170 717 2HB LEU 90 2HB LEU 90 4.012 -6.639 -9.519 718 HG LEU 90 HG LEU 90 1.318 -8.048 -9.699 719 1HD1 LEU 90 1HD1 LEU 90 1.320 -6.918 -7.509 720 2HD1 LEU 90 2HD1 LEU 90 1.760 -5.386 -8.286 721 3HD1 LEU 90 3HD1 LEU 90 0.204 -6.169 -8.655 722 1HD2 LEU 90 1HD2 LEU 90 2.072 -6.842 -11.741 723 2HD2 LEU 90 2HD2 LEU 90 0.660 -6.073 -11.030 724 3HD2 LEU 90 3HD2 LEU 90 2.268 -5.361 -10.792 725 H CYS 91 H CYS 91 5.993 -7.896 -11.075 726 HA CYS 91 HA CYS 91 5.003 -7.412 -13.682 727 1HB CYS 91 1HB CYS 91 7.829 -8.086 -12.721 728 2HB CYS 91 2HB CYS 91 7.440 -7.496 -14.337 729 HG CYS 91 HG CYS 91 6.866 -6.047 -11.416 730 H GLU 92 H GLU 92 6.237 -10.452 -12.246 731 HA GLU 92 HA GLU 92 6.260 -11.839 -14.773 732 1HB GLU 92 1HB GLU 92 7.618 -12.516 -12.804 733 2HB GLU 92 2HB GLU 92 6.139 -12.981 -11.954 734 1HG GLU 92 1HG GLU 92 5.637 -14.647 -13.732 735 2HG GLU 92 2HG GLU 92 7.086 -14.150 -14.614 736 H MET 93 H MET 93 3.889 -11.497 -12.071 737 HA MET 93 HA MET 93 2.043 -13.435 -13.111 738 1HB MET 93 1HB MET 93 1.644 -11.092 -11.207 739 2HB MET 93 2HB MET 93 0.404 -12.292 -11.584 740 1HG MET 93 1HG MET 93 1.996 -14.090 -10.807 741 2HG MET 93 2HG MET 93 3.053 -12.819 -10.199 742 1HE MET 93 1HE MET 93 0.673 -11.155 -7.462 743 2HE MET 93 2HE MET 93 2.269 -11.061 -8.237 744 3HE MET 93 3HE MET 93 0.788 -10.668 -9.154 745 H ALA 94 H ALA 94 2.361 -9.895 -13.603 746 HA ALA 94 HA ALA 94 0.261 -10.047 -15.709 747 1HB ALA 94 1HB ALA 94 -0.800 -8.032 -14.787 748 2HB ALA 94 2HB ALA 94 -0.856 -9.372 -13.624 749 3HB ALA 94 3HB ALA 94 0.317 -8.056 -13.403 750 HA PRO 95 HA PRO 95 3.976 -7.753 -17.325 751 1HB PRO 95 1HB PRO 95 2.736 -8.989 -19.776 752 2HB PRO 95 2HB PRO 95 4.469 -8.737 -19.389 753 1HG PRO 95 1HG PRO 95 3.324 -11.193 -19.121 754 2HG PRO 95 2HG PRO 95 4.480 -10.591 -17.894 755 1HD PRO 95 1HD PRO 95 1.473 -10.643 -17.762 756 2HD PRO 95 2HD PRO 95 2.670 -11.027 -16.495 757 H GLU 96 H GLU 96 0.475 -7.831 -18.021 758 HA GLU 96 HA GLU 96 0.124 -5.532 -19.557 759 1HB GLU 96 1HB GLU 96 -1.486 -6.339 -17.072 760 2HB GLU 96 2HB GLU 96 -2.027 -5.327 -18.412 761 1HG GLU 96 1HG GLU 96 -2.941 -7.237 -19.152 762 2HG GLU 96 2HG GLU 96 -1.316 -7.494 -19.814 763 H MET 97 H MET 97 0.950 -5.861 -16.216 764 HA MET 97 HA MET 97 0.796 -2.939 -15.682 765 1HB MET 97 1HB MET 97 -0.712 -4.543 -14.503 766 2HB MET 97 2HB MET 97 0.699 -5.341 -13.815 767 1HG MET 97 1HG MET 97 -0.394 -3.849 -12.239 768 2HG MET 97 2HG MET 97 1.267 -3.384 -12.540 769 1HE MET 97 1HE MET 97 -2.518 -2.400 -12.853 770 2HE MET 97 2HE MET 97 -2.472 -0.997 -13.935 771 3HE MET 97 3HE MET 97 -2.113 -2.617 -14.572 772 H ARG 98 H ARG 98 3.267 -5.220 -16.323 773 HA ARG 98 HA ARG 98 5.102 -4.476 -14.269 774 1HB ARG 98 1HB ARG 98 6.883 -5.360 -15.539 775 2HB ARG 98 2HB ARG 98 5.488 -6.429 -15.672 776 1HG ARG 98 1HG ARG 98 5.107 -5.644 -17.973 777 2HG ARG 98 2HG ARG 98 6.411 -4.470 -17.824 778 1HD ARG 98 1HD ARG 98 7.079 -6.500 -19.068 779 2HD ARG 98 2HD ARG 98 8.069 -6.209 -17.630 780 HE ARG 98 HE ARG 98 6.084 -7.948 -16.759 781 1HH1 ARG 98 1HH2 ARG 98 8.588 -8.090 -19.276 782 2HH1 ARG 98 2HH2 ARG 98 8.833 -9.788 -19.119 783 1HH2 ARG 98 1HH1 ARG 98 6.413 -10.134 -16.520 784 2HH2 ARG 98 2HH1 ARG 98 7.548 -11.002 -17.517 785 H GLY 99 H GLY 99 6.707 -2.889 -14.140 786 1HA GLY 99 1HA GLY 99 7.735 -0.873 -14.555 787 2HA GLY 99 2HA GLY 99 6.939 -0.780 -16.131 788 H LYS 100 H LYS 100 4.168 -1.014 -15.181 789 HA LYS 100 HA LYS 100 3.717 1.677 -14.113 790 1HB LYS 100 1HB LYS 100 1.869 -0.648 -14.754 791 2HB LYS 100 2HB LYS 100 1.312 0.880 -14.055 792 1HG LYS 100 1HG LYS 100 2.164 2.108 -16.024 793 2HG LYS 100 2HG LYS 100 2.778 0.600 -16.713 794 1HD LYS 100 1HD LYS 100 0.703 1.163 -17.794 795 2HD LYS 100 2HD LYS 100 0.466 -0.301 -16.829 796 1HE LYS 100 1HE LYS 100 -0.642 1.023 -15.053 797 2HE LYS 100 2HE LYS 100 -0.311 2.518 -15.935 798 1HZ LYS 100 1HZ LYS 100 -2.574 1.774 -16.299 799 2HZ LYS 100 2HZ LYS 100 -1.752 1.723 -17.708 800 3HZ LYS 100 3HZ LYS 100 -2.064 0.336 -16.898 801 H VAL 101 H VAL 101 3.896 -1.630 -12.790 802 HA VAL 101 HA VAL 101 2.967 -0.803 -10.169 803 HB VAL 101 HB VAL 101 2.724 -3.102 -10.803 804 1HG1 VAL 101 1HG1 VAL 101 5.754 -3.299 -11.022 805 2HG1 VAL 101 2HG1 VAL 101 4.626 -4.664 -11.068 806 3HG1 VAL 101 3HG1 VAL 101 4.591 -3.449 -12.343 807 1HG2 VAL 101 1HG2 VAL 101 4.823 -2.915 -8.606 808 2HG2 VAL 101 2HG2 VAL 101 3.078 -2.626 -8.413 809 3HG2 VAL 101 3HG2 VAL 101 3.675 -4.230 -8.865 810 H MET 102 H MET 102 4.310 -0.320 -8.369 811 HA MET 102 HA MET 102 7.200 -0.205 -8.654 812 1HB MET 102 1HB MET 102 7.446 2.199 -8.274 813 2HB MET 102 2HB MET 102 6.588 1.903 -9.779 814 1HG MET 102 1HG MET 102 4.411 2.319 -8.476 815 2HG MET 102 2HG MET 102 5.430 2.842 -7.133 816 1HE MET 102 1HE MET 102 3.796 3.637 -10.491 817 2HE MET 102 2HE MET 102 4.704 5.019 -11.140 818 3HE MET 102 3HE MET 102 5.439 3.401 -11.126 819 H LEU 103 H LEU 103 7.985 1.016 -6.422 820 HA LEU 103 HA LEU 103 6.300 -0.218 -4.313 821 1HB LEU 103 1HB LEU 103 8.232 0.302 -2.782 822 2HB LEU 103 2HB LEU 103 8.300 -1.082 -3.871 823 HG LEU 103 HG LEU 103 9.838 0.231 -5.364 824 1HD1 LEU 103 1HD1 LEU 103 9.831 2.229 -3.078 825 2HD1 LEU 103 2HD1 LEU 103 11.002 2.170 -4.410 826 3HD1 LEU 103 3HD1 LEU 103 9.315 2.512 -4.770 827 1HD2 LEU 103 1HD2 LEU 103 10.649 -0.145 -2.453 828 2HD2 LEU 103 2HD2 LEU 103 10.660 -1.399 -3.708 829 3HD2 LEU 103 3HD2 LEU 103 11.774 -0.020 -3.812 830 H PHE 104 H PHE 104 5.687 0.935 -2.479 831 HA PHE 104 HA PHE 104 4.654 3.437 -3.101 832 1HB PHE 104 1HB PHE 104 3.911 1.652 -1.388 833 2HB PHE 104 2HB PHE 104 5.091 2.346 -0.285 834 HD1 PHE 104 HD1 PHE 104 2.720 4.044 -2.686 835 HD2 PHE 104 HD2 PHE 104 3.709 3.265 1.444 836 HE1 PHE 104 HE1 PHE 104 0.900 5.511 -1.988 837 HE2 PHE 104 HE2 PHE 104 1.842 4.745 2.146 838 HZ PHE 104 HZ PHE 104 0.378 5.809 0.410 839 H GLY 105 H GLY 105 7.701 2.633 -1.516 840 1HA GLY 105 1HA GLY 105 8.240 5.337 -0.583 841 2HA GLY 105 2HA GLY 105 9.335 3.953 -0.556 842 H HIS 106 H HIS 106 8.028 4.377 -3.702 843 HA HIS 106 HA HIS 106 10.222 4.854 -5.171 844 1HB HIS 106 1HB HIS 106 8.120 4.461 -6.185 845 2HB HIS 106 2HB HIS 106 7.430 5.951 -5.532 846 HD1 HIS 106 HD1 HIS 106 10.259 5.007 -8.069 847 HD2 HIS 106 HD2 HIS 106 7.388 7.956 -7.166 848 HE1 HIS 106 HE1 HIS 106 10.378 6.719 -9.943 849 H TRP 107 H TRP 107 8.317 7.624 -3.790 850 HA TRP 107 HA TRP 107 9.992 9.612 -4.928 851 1HB TRP 107 1HB TRP 107 8.440 9.922 -2.351 852 2HB TRP 107 2HB TRP 107 8.801 11.153 -3.552 853 HD1 TRP 107 HD1 TRP 107 6.249 8.656 -2.529 854 HE1 TRP 107 HE1 TRP 107 4.308 8.556 -4.150 855 HE3 TRP 107 HE3 TRP 107 8.239 11.443 -6.355 856 HZ2 TRP 107 HZ2 TRP 107 3.631 9.598 -6.769 857 HZ3 TRP 107 HZ3 TRP 107 6.898 11.878 -8.399 858 HH2 TRP 107 HH2 TRP 107 4.577 10.981 -8.595 859 H ASP 108 H ASP 108 10.415 7.641 -2.059 860 HA ASP 108 HA ASP 108 12.421 9.477 -0.856 861 1HB ASP 108 1HB ASP 108 10.626 8.383 0.543 862 2HB ASP 108 2HB ASP 108 11.314 6.812 0.138 863 H ASN 109 H ASN 109 13.242 8.916 -3.234 864 HA ASN 109 HA ASN 109 14.834 7.926 -4.523 865 1HB ASN 109 1HB ASN 109 16.185 9.100 -2.867 866 2HB ASN 109 2HB ASN 109 16.145 7.693 -1.805 867 1HD2 ASN 109 2HD2 ASN 109 18.279 7.235 -1.730 868 2HD2 ASN 109 1HD2 ASN 109 19.262 6.777 -3.105 869 H GLU 110 H GLU 110 12.800 6.292 -4.302 870 HA GLU 110 HA GLU 110 11.994 4.233 -4.203 871 1HB GLU 110 1HB GLU 110 12.995 2.649 -5.696 872 2HB GLU 110 2HB GLU 110 13.051 4.271 -6.360 873 1HG GLU 110 1HG GLU 110 15.421 4.456 -5.988 874 2HG GLU 110 2HG GLU 110 15.453 3.005 -4.980 875 H CYS 111 H CYS 111 13.062 4.797 -1.701 876 HA CYS 111 HA CYS 111 14.531 2.573 -0.667 877 1HB CYS 111 1HB CYS 111 14.250 4.838 0.428 878 2HB CYS 111 2HB CYS 111 12.585 4.378 0.836 879 HG CYS 111 HG CYS 111 13.269 2.211 2.200 880 H GLU 112 H GLU 112 13.876 0.602 0.021 881 HA GLU 112 HA GLU 112 11.067 -0.230 -0.310 882 1HB GLU 112 1HB GLU 112 11.876 -2.421 0.364 883 2HB GLU 112 2HB GLU 112 12.782 -1.807 -1.004 884 1HG GLU 112 1HG GLU 112 13.851 -1.559 1.840 885 2HG GLU 112 2HG GLU 112 14.003 -3.049 0.928 886 H ILE 113 H ILE 113 10.017 -1.397 1.547 887 HA ILE 113 HA ILE 113 10.448 0.203 4.043 888 HB ILE 113 HB ILE 113 7.890 -0.761 2.776 889 1HG1 ILE 113 1HG1 ILE 113 9.116 2.028 2.851 890 2HG1 ILE 113 2HG1 ILE 113 8.857 1.033 1.422 891 1HG2 ILE 113 1HG2 ILE 113 8.139 1.156 5.111 892 2HG2 ILE 113 2HG2 ILE 113 6.677 0.418 4.434 893 3HG2 ILE 113 3HG2 ILE 113 7.826 -0.575 5.304 894 1HD1 ILE 113 1HD1 ILE 113 7.181 2.717 1.433 895 2HD1 ILE 113 2HD1 ILE 113 6.385 1.173 1.793 896 3HD1 ILE 113 3HD1 ILE 113 6.700 2.352 3.093 897 HA PRO 114 HA PRO 114 10.874 -3.878 5.997 898 1HB PRO 114 1HB PRO 114 9.902 -2.409 8.437 899 2HB PRO 114 2HB PRO 114 11.338 -3.458 8.253 900 1HG PRO 114 1HG PRO 114 11.581 -0.748 8.364 901 2HG PRO 114 2HG PRO 114 12.577 -1.712 7.226 902 1HD PRO 114 1HD PRO 114 10.041 -0.159 6.643 903 2HD PRO 114 2HD PRO 114 11.574 -0.225 5.724 904 H ASP 115 H ASP 115 9.455 -5.461 7.159 905 HA ASP 115 HA ASP 115 6.552 -4.834 6.894 906 1HB ASP 115 1HB ASP 115 7.456 -6.761 5.502 907 2HB ASP 115 2HB ASP 115 7.767 -7.609 7.011 908 HA PRO 116 HA PRO 116 6.942 -5.094 11.335 909 1HB PRO 116 1HB PRO 116 4.441 -4.471 12.137 910 2HB PRO 116 2HB PRO 116 5.465 -3.285 11.282 911 1HG PRO 116 1HG PRO 116 3.302 -5.069 10.111 912 2HG PRO 116 2HG PRO 116 3.522 -3.307 9.875 913 1HD PRO 116 1HD PRO 116 4.465 -5.187 8.097 914 2HD PRO 116 2HD PRO 116 5.321 -3.646 8.384 915 H TYR 117 H TYR 117 5.002 -7.363 9.512 916 HA TYR 117 HA TYR 117 3.504 -8.904 10.058 917 1HB TYR 117 1HB TYR 117 5.553 -10.028 9.517 918 2HB TYR 117 2HB TYR 117 6.108 -9.944 11.185 919 HD1 TYR 117 HD1 TYR 117 2.756 -10.919 9.716 920 HD2 TYR 117 HD2 TYR 117 6.194 -12.148 12.021 921 HE1 TYR 117 HE1 TYR 117 1.664 -13.088 10.174 922 HE2 TYR 117 HE2 TYR 117 5.101 -14.317 12.500 923 HH TYR 117 HH TYR 117 1.838 -15.157 11.240 924 H ARG 118 H ARG 118 5.250 -9.619 13.087 925 HA ARG 118 HA ARG 118 2.890 -8.772 14.664 926 1HB ARG 118 1HB ARG 118 4.168 -11.541 14.671 927 2HB ARG 118 2HB ARG 118 3.027 -11.016 15.894 928 1HG ARG 118 1HG ARG 118 2.241 -11.082 12.955 929 2HG ARG 118 2HG ARG 118 2.218 -12.507 13.960 930 1HD ARG 118 1HD ARG 118 0.021 -11.548 13.777 931 2HD ARG 118 2HD ARG 118 0.563 -11.569 15.452 932 HE ARG 118 HE ARG 118 0.012 -9.234 13.716 933 1HH1 ARG 118 1HH2 ARG 118 1.189 -10.278 16.929 934 2HH1 ARG 118 2HH2 ARG 118 0.954 -8.718 17.627 935 1HH2 ARG 118 1HH1 ARG 118 -0.319 -7.269 14.640 936 2HH2 ARG 118 2HH1 ARG 118 0.110 -6.942 16.293 937 H LYS 119 H LYS 119 5.640 -7.731 14.210 938 HA LYS 119 HA LYS 119 7.227 -8.375 16.575 939 1HB LYS 119 1HB LYS 119 7.477 -6.230 14.415 940 2HB LYS 119 2HB LYS 119 8.672 -6.519 15.683 941 1HG LYS 119 1HG LYS 119 9.032 -8.826 14.884 942 2HG LYS 119 2HG LYS 119 7.822 -8.603 13.624 943 1HD LYS 119 1HD LYS 119 10.045 -8.389 12.674 944 2HD LYS 119 2HD LYS 119 9.155 -6.885 12.540 945 1HE LYS 119 1HE LYS 119 11.418 -6.348 13.131 946 2HE LYS 119 2HE LYS 119 10.407 -5.983 14.528 947 1HZ LYS 119 1HZ LYS 119 11.160 -8.089 15.516 948 2HZ LYS 119 2HZ LYS 119 12.076 -8.419 14.201 949 3HZ LYS 119 3HZ LYS 119 12.436 -7.148 15.148 950 H SER 120 H SER 120 8.133 -6.108 17.605 951 HA SER 120 HA SER 120 6.180 -5.468 19.505 952 1HB SER 120 1HB SER 120 8.673 -3.866 18.796 953 2HB SER 120 2HB SER 120 7.872 -3.963 20.377 954 HG SER 120 HG SER 120 9.707 -5.328 20.257 955 H ARG 121 H ARG 121 5.277 -3.367 20.087 956 HA ARG 121 HA ARG 121 3.833 -2.104 18.013 957 1HB ARG 121 1HB ARG 121 4.534 -1.069 20.802 958 2HB ARG 121 2HB ARG 121 3.294 -0.385 19.743 959 1HG ARG 121 1HG ARG 121 2.019 -2.479 19.801 960 2HG ARG 121 2HG ARG 121 3.274 -3.266 20.752 961 1HD ARG 121 1HD ARG 121 1.517 -2.709 22.254 962 2HD ARG 121 2HD ARG 121 2.877 -1.651 22.601 963 HE ARG 121 HE ARG 121 1.651 0.180 22.000 964 1HH1 ARG 121 1HH2 ARG 121 -0.162 -2.681 20.902 965 2HH1 ARG 121 2HH2 ARG 121 -1.612 -1.803 20.558 966 1HH2 ARG 121 1HH1 ARG 121 -0.313 1.298 21.732 967 2HH2 ARG 121 2HH1 ARG 121 -1.740 0.478 21.228 968 H GLU 122 H GLU 122 7.035 -1.301 19.369 969 HA GLU 122 HA GLU 122 7.307 1.247 18.148 970 1HB GLU 122 1HB GLU 122 8.740 0.321 19.952 971 2HB GLU 122 2HB GLU 122 9.439 -0.833 18.806 972 1HG GLU 122 1HG GLU 122 10.360 1.033 17.468 973 2HG GLU 122 2HG GLU 122 9.571 2.205 18.528 974 H THR 123 H THR 123 7.794 -2.074 16.826 975 HA THR 123 HA THR 123 9.093 -1.184 14.400 976 HB THR 123 HB THR 123 7.407 -3.693 14.758 977 HG1 THR 123 1HG THR 123 10.038 -3.171 15.671 978 1HG2 THR 123 1HG2 THR 123 8.262 -3.210 12.479 979 2HG2 THR 123 2HG2 THR 123 9.918 -3.140 13.118 980 3HG2 THR 123 3HG2 THR 123 8.994 -4.659 13.169 981 H PHE 124 H PHE 124 5.669 -1.900 15.348 982 HA PHE 124 HA PHE 124 4.560 -1.315 12.778 983 1HB PHE 124 1HB PHE 124 3.448 -1.364 15.595 984 2HB PHE 124 2HB PHE 124 2.486 -0.765 14.259 985 HD1 PHE 124 HD1 PHE 124 4.147 -3.816 15.609 986 HD2 PHE 124 HD2 PHE 124 1.567 -2.181 12.559 987 HE1 PHE 124 HE1 PHE 124 3.384 -6.097 15.024 988 HE2 PHE 124 HE2 PHE 124 0.805 -4.478 11.992 989 HZ PHE 124 HZ PHE 124 1.676 -6.419 13.245 990 H ALA 125 H ALA 125 5.328 0.833 15.582 991 HA ALA 125 HA ALA 125 4.159 3.162 14.435 992 1HB ALA 125 1HB ALA 125 6.495 2.947 16.386 993 2HB ALA 125 2HB ALA 125 5.512 4.388 16.075 994 3HB ALA 125 3HB ALA 125 4.771 2.960 16.823 995 H ALA 126 H ALA 126 7.522 1.859 14.219 996 HA ALA 126 HA ALA 126 8.591 3.987 12.654 997 1HB ALA 126 1HB ALA 126 10.343 2.356 12.057 998 2HB ALA 126 2HB ALA 126 9.981 2.290 13.792 999 3HB ALA 126 3HB ALA 126 9.359 1.029 12.704 1000 H VAL 127 H VAL 127 7.094 0.854 11.646 1001 HA VAL 127 HA VAL 127 7.269 1.343 8.855 1002 HB VAL 127 HB VAL 127 5.452 -0.393 10.565 1003 1HG1 VAL 127 1HG1 VAL 127 4.764 -1.577 8.540 1004 2HG1 VAL 127 2HG1 VAL 127 4.217 0.086 8.471 1005 3HG1 VAL 127 3HG1 VAL 127 5.642 -0.412 7.523 1006 1HG2 VAL 127 1HG2 VAL 127 7.881 -1.004 10.449 1007 2HG2 VAL 127 2HG2 VAL 127 6.868 -2.212 9.656 1008 3HG2 VAL 127 3HG2 VAL 127 7.774 -1.043 8.680 1009 H TYR 128 H TYR 128 4.563 2.113 11.189 1010 HA TYR 128 HA TYR 128 2.852 3.227 9.262 1011 1HB TYR 128 1HB TYR 128 2.240 2.726 11.618 1012 2HB TYR 128 2HB TYR 128 3.189 4.106 12.159 1013 HD1 TYR 128 HD1 TYR 128 -0.013 2.991 10.868 1014 HD2 TYR 128 HD2 TYR 128 2.505 6.469 11.322 1015 HE1 TYR 128 HE1 TYR 128 -1.951 4.463 10.407 1016 HE2 TYR 128 HE2 TYR 128 0.608 7.931 10.782 1017 HH TYR 128 HH TYR 128 -1.692 8.036 10.324 1018 H THR 129 H THR 129 5.539 4.803 11.104 1019 HA THR 129 HA THR 129 5.047 7.423 10.100 1020 HB THR 129 HB THR 129 7.688 6.168 10.975 1021 HG1 THR 129 1HG THR 129 6.177 5.897 12.589 1022 1HG2 THR 129 1HG2 THR 129 8.011 8.382 9.945 1023 2HG2 THR 129 2HG2 THR 129 6.736 9.070 10.974 1024 3HG2 THR 129 3HG2 THR 129 8.252 8.478 11.695 1025 H LEU 130 H LEU 130 7.087 4.736 8.809 1026 HA LEU 130 HA LEU 130 8.110 6.285 6.628 1027 1HB LEU 130 1HB LEU 130 9.170 4.298 7.615 1028 2HB LEU 130 2HB LEU 130 7.867 3.274 7.021 1029 HG LEU 130 HG LEU 130 8.572 3.496 4.758 1030 1HD1 LEU 130 1HD1 LEU 130 10.514 5.663 5.690 1031 2HD1 LEU 130 2HD1 LEU 130 10.518 4.925 4.072 1032 3HD1 LEU 130 3HD1 LEU 130 9.131 5.884 4.579 1033 1HD2 LEU 130 1HD2 LEU 130 11.100 3.336 6.453 1034 2HD2 LEU 130 2HD2 LEU 130 9.926 2.030 6.277 1035 3HD2 LEU 130 3HD2 LEU 130 10.827 2.600 4.857 1036 H LEU 131 H LEU 131 5.244 4.136 6.947 1037 HA LEU 131 HA LEU 131 4.370 4.387 4.227 1038 1HB LEU 131 1HB LEU 131 3.107 3.581 6.847 1039 2HB LEU 131 2HB LEU 131 2.039 4.097 5.550 1040 HG LEU 131 HG LEU 131 3.005 2.449 4.014 1041 1HD1 LEU 131 1HD1 LEU 131 4.517 1.396 6.427 1042 2HD1 LEU 131 2HD1 LEU 131 4.392 0.605 4.849 1043 3HD1 LEU 131 3HD1 LEU 131 5.248 2.148 4.997 1044 1HD2 LEU 131 1HD2 LEU 131 1.995 1.297 6.652 1045 2HD2 LEU 131 2HD2 LEU 131 1.000 1.914 5.312 1046 3HD2 LEU 131 3HD2 LEU 131 1.979 0.461 5.085 1047 H GLU 132 H GLU 132 3.774 6.427 7.157 1048 HA GLU 132 HA GLU 132 1.914 8.155 5.872 1049 1HB GLU 132 1HB GLU 132 2.198 7.993 8.317 1050 2HB GLU 132 2HB GLU 132 3.800 8.738 8.191 1051 1HG GLU 132 1HG GLU 132 2.769 10.794 7.253 1052 2HG GLU 132 2HG GLU 132 1.179 10.030 7.315 1053 H ARG 133 H ARG 133 5.524 8.431 6.250 1054 HA ARG 133 HA ARG 133 5.827 10.834 4.763 1055 1HB ARG 133 1HB ARG 133 7.623 8.360 4.892 1056 2HB ARG 133 2HB ARG 133 8.059 9.850 4.048 1057 1HG ARG 133 1HG ARG 133 7.849 11.123 6.165 1058 2HG ARG 133 2HG ARG 133 7.435 9.623 7.006 1059 1HD ARG 133 1HD ARG 133 9.788 10.131 7.366 1060 2HD ARG 133 2HD ARG 133 9.635 8.662 6.409 1061 HE ARG 133 HE ARG 133 10.364 11.383 5.386 1062 1HH1 ARG 133 1HH2 ARG 133 10.630 7.852 5.024 1063 2HH1 ARG 133 2HH2 ARG 133 11.746 7.936 3.696 1064 1HH2 ARG 133 1HH1 ARG 133 11.866 11.472 3.647 1065 2HH2 ARG 133 2HH1 ARG 133 12.439 10.011 2.901 1066 H SER 134 H SER 134 5.763 7.465 3.590 1067 HA SER 134 HA SER 134 6.160 8.063 0.855 1068 1HB SER 134 1HB SER 134 4.615 5.730 2.067 1069 2HB SER 134 2HB SER 134 5.301 5.809 0.437 1070 HG SER 134 HG SER 134 6.656 5.738 2.941 1071 H ALA 135 H ALA 135 3.066 7.586 2.679 1072 HA ALA 135 HA ALA 135 1.372 8.064 0.456 1073 1HB ALA 135 1HB ALA 135 0.833 8.519 3.425 1074 2HB ALA 135 2HB ALA 135 -0.389 8.363 2.141 1075 3HB ALA 135 3HB ALA 135 0.635 6.975 2.566 1076 H ARG 136 H ARG 136 2.866 10.346 2.818 1077 HA ARG 136 HA ARG 136 1.316 12.609 1.912 1078 1HB ARG 136 1HB ARG 136 2.570 12.322 4.118 1079 2HB ARG 136 2HB ARG 136 4.068 12.636 3.238 1080 1HG ARG 136 1HG ARG 136 3.259 14.878 2.612 1081 2HG ARG 136 2HG ARG 136 1.665 14.523 3.305 1082 1HD ARG 136 1HD ARG 136 2.792 14.180 5.551 1083 2HD ARG 136 2HD ARG 136 4.304 14.711 4.815 1084 HE ARG 136 HE ARG 136 3.565 16.894 4.763 1085 1HH1 ARG 136 1HH2 ARG 136 0.821 14.816 5.718 1086 2HH1 ARG 136 2HH2 ARG 136 -0.090 16.123 6.387 1087 1HH2 ARG 136 1HH1 ARG 136 2.293 18.620 5.574 1088 2HH2 ARG 136 2HH1 ARG 136 0.736 18.329 6.245 1089 H GLN 137 H GLN 137 4.489 11.198 0.940 1090 HA GLN 137 HA GLN 137 5.088 13.277 -0.930 1091 1HB GLN 137 1HB GLN 137 6.052 10.412 -0.648 1092 2HB GLN 137 2HB GLN 137 6.673 11.550 -1.860 1093 1HG GLN 137 1HG GLN 137 7.446 13.089 -0.203 1094 2HG GLN 137 2HG GLN 137 6.684 12.215 1.114 1095 1HE2 GLN 137 2HE2 GLN 137 9.598 12.940 0.327 1096 2HE2 GLN 137 1HE2 GLN 137 10.448 11.442 0.644 1097 H TRP 138 H TRP 138 3.338 10.119 -1.268 1098 HA TRP 138 HA TRP 138 2.720 10.454 -4.016 1099 1HB TRP 138 1HB TRP 138 1.398 8.945 -1.756 1100 2HB TRP 138 2HB TRP 138 0.562 9.139 -3.292 1101 HD1 TRP 138 HD1 TRP 138 3.500 7.283 -1.760 1102 HE1 TRP 138 HE1 TRP 138 4.635 5.802 -3.447 1103 HE3 TRP 138 HE3 TRP 138 0.797 8.651 -5.883 1104 HZ2 TRP 138 HZ2 TRP 138 4.425 5.264 -6.323 1105 HZ3 TRP 138 HZ3 TRP 138 1.284 7.622 -8.088 1106 HH2 TRP 138 HH2 TRP 138 3.100 5.953 -8.320 1107 H ALA 139 H ALA 139 0.947 11.687 -1.089 1108 HA ALA 139 HA ALA 139 -1.076 12.986 -2.552 1109 1HB ALA 139 1HB ALA 139 -1.455 14.286 -0.540 1110 2HB ALA 139 2HB ALA 139 -1.065 12.611 -0.093 1111 3HB ALA 139 3HB ALA 139 0.152 13.891 0.084 1112 H GLN 140 H GLN 140 2.179 14.190 -1.633 1113 HA GLN 140 HA GLN 140 1.911 16.829 -2.566 1114 1HB GLN 140 1HB GLN 140 3.728 16.117 -1.137 1115 2HB GLN 140 2HB GLN 140 4.301 14.966 -2.334 1116 1HG GLN 140 1HG GLN 140 5.793 16.821 -2.247 1117 2HG GLN 140 2HG GLN 140 5.013 16.784 -3.819 1118 1HE2 GLN 140 2HE2 GLN 140 3.235 18.396 -4.239 1119 2HE2 GLN 140 1HE2 GLN 140 3.284 19.919 -3.368 1120 H ALA 141 H ALA 141 2.724 13.824 -4.384 1121 HA ALA 141 HA ALA 141 3.178 15.275 -6.865 1122 1HB ALA 141 1HB ALA 141 2.667 12.315 -6.341 1123 2HB ALA 141 2HB ALA 141 3.252 13.037 -7.856 1124 3HB ALA 141 3HB ALA 141 4.256 13.116 -6.393 1125 H LEU 142 H LEU 142 0.510 13.287 -5.534 1126 HA LEU 142 HA LEU 142 -1.314 13.491 -7.676 1127 1HB LEU 142 1HB LEU 142 -1.691 13.208 -4.680 1128 2HB LEU 142 2HB LEU 142 -3.046 13.127 -5.790 1129 HG LEU 142 HG LEU 142 -0.656 11.251 -6.045 1130 1HD1 LEU 142 1HD1 LEU 142 -2.028 9.568 -4.854 1131 2HD1 LEU 142 2HD1 LEU 142 -1.625 10.939 -3.811 1132 3HD1 LEU 142 3HD1 LEU 142 -3.251 10.813 -4.506 1133 1HD2 LEU 142 1HD2 LEU 142 -2.304 9.842 -7.254 1134 2HD2 LEU 142 2HD2 LEU 142 -3.513 11.129 -7.080 1135 3HD2 LEU 142 3HD2 LEU 142 -2.051 11.396 -8.054 1136 H ASN 143 H ASN 143 -0.596 15.855 -5.134 1137 HA ASN 143 HA ASN 143 -2.763 17.669 -5.722 1138 1HB ASN 143 1HB ASN 143 -1.383 17.582 -3.593 1139 2HB ASN 143 2HB ASN 143 -0.005 18.178 -4.536 1140 1HD2 ASN 143 2HD2 ASN 143 0.314 20.335 -3.993 1141 2HD2 ASN 143 1HD2 ASN 143 -0.957 21.512 -3.824 1142 H ALA 144 H ALA 144 0.111 16.897 -7.465 1143 HA ALA 144 HA ALA 144 0.343 19.574 -8.751 1144 1HB ALA 144 1HB ALA 144 2.737 19.207 -8.754 1145 2HB ALA 144 2HB ALA 144 2.140 19.017 -7.104 1146 3HB ALA 144 3HB ALA 144 2.534 17.576 -8.066 1147 H GLU 145 H GLU 145 2.343 18.439 -10.426 1148 HA GLU 145 HA GLU 145 0.829 18.158 -12.769 1149 1HB GLU 145 1HB GLU 145 3.704 17.284 -12.233 1150 2HB GLU 145 2HB GLU 145 2.964 17.409 -13.837 1151 1HG GLU 145 1HG GLU 145 2.537 19.831 -13.448 1152 2HG GLU 145 2HG GLU 145 3.332 19.717 -11.876 1153 H GLN 146 H GLN 146 -0.065 16.698 -13.901 1154 HA GLN 146 HA GLN 146 0.311 13.879 -13.725 1155 1HB GLN 146 1HB GLN 146 -1.917 13.330 -12.845 1156 2HB GLN 146 2HB GLN 146 -1.015 14.249 -11.652 1157 1HG GLN 146 1HG GLN 146 -2.285 16.343 -12.579 1158 2HG GLN 146 2HG GLN 146 -3.348 15.177 -13.370 1159 1HE2 GLN 146 2HE2 GLN 146 -2.035 16.265 -10.237 1160 2HE2 GLN 146 1HE2 GLN 146 -3.285 15.595 -9.216 1161 H VAL 147 H VAL 147 -1.711 12.974 -14.983 1162 HA VAL 147 HA VAL 147 -2.272 14.562 -17.395 1163 HB VAL 147 HB VAL 147 -1.353 12.620 -18.759 1164 1HG1 VAL 147 1HG1 VAL 147 -0.200 14.821 -18.575 1165 2HG1 VAL 147 2HG1 VAL 147 0.738 14.202 -17.197 1166 3HG1 VAL 147 3HG1 VAL 147 0.924 13.474 -18.804 1167 1HG2 VAL 147 1HG2 VAL 147 0.425 11.225 -17.821 1168 2HG2 VAL 147 2HG2 VAL 147 0.224 11.958 -16.218 1169 3HG2 VAL 147 3HG2 VAL 147 -1.068 10.954 -16.914 Start of MODEL 18 1 H MET 1 H MET 1 -4.885 12.337 -13.914 2 HA MET 1 HA MET 1 -4.273 11.132 -11.929 3 1HB MET 1 1HB MET 1 -6.395 12.775 -12.179 4 2HB MET 1 2HB MET 1 -7.282 11.318 -11.749 5 1HG MET 1 1HG MET 1 -5.035 12.639 -10.171 6 2HG MET 1 2HG MET 1 -6.755 12.751 -9.826 7 1HE MET 1 1HE MET 1 -6.501 12.119 -7.278 8 2HE MET 1 2HE MET 1 -5.377 10.857 -6.738 9 3HE MET 1 3HE MET 1 -4.763 12.252 -7.641 10 H PHE 2 H PHE 2 -4.086 9.084 -10.990 11 HA PHE 2 HA PHE 2 -4.793 6.818 -12.496 12 1HB PHE 2 1HB PHE 2 -4.273 6.856 -9.511 13 2HB PHE 2 2HB PHE 2 -4.017 5.518 -10.616 14 HD1 PHE 2 HD1 PHE 2 -2.477 6.718 -12.856 15 HD2 PHE 2 HD2 PHE 2 -2.207 7.443 -8.606 16 HE1 PHE 2 HE1 PHE 2 -0.110 7.397 -13.113 17 HE2 PHE 2 HE2 PHE 2 0.149 8.139 -8.876 18 HZ PHE 2 HZ PHE 2 1.213 8.110 -11.129 19 H ASN 3 H ASN 3 -6.464 8.337 -9.788 20 HA ASN 3 HA ASN 3 -8.425 8.188 -8.801 21 1HB ASN 3 1HB ASN 3 -9.377 8.595 -10.984 22 2HB ASN 3 2HB ASN 3 -9.371 6.867 -11.353 23 1HD2 ASN 3 2HD2 ASN 3 -10.786 9.310 -9.095 24 2HD2 ASN 3 1HD2 ASN 3 -12.189 8.356 -8.709 25 H ASN 4 H ASN 4 -7.681 4.953 -10.217 26 HA ASN 4 HA ASN 4 -8.939 3.713 -7.797 27 1HB ASN 4 1HB ASN 4 -10.271 3.552 -9.951 28 2HB ASN 4 2HB ASN 4 -8.917 2.666 -10.662 29 1HD2 ASN 4 2HD2 ASN 4 -10.071 0.653 -10.918 30 2HD2 ASN 4 1HD2 ASN 4 -10.559 -0.280 -9.533 31 H ILE 5 H ILE 5 -7.332 2.838 -6.588 32 HA ILE 5 HA ILE 5 -4.856 1.849 -7.962 33 HB ILE 5 HB ILE 5 -5.184 3.521 -5.442 34 1HG1 ILE 5 1HG1 ILE 5 -4.043 4.337 -8.152 35 2HG1 ILE 5 2HG1 ILE 5 -5.586 4.857 -7.484 36 1HG2 ILE 5 1HG2 ILE 5 -2.739 3.703 -5.325 37 2HG2 ILE 5 2HG2 ILE 5 -3.219 2.037 -5.213 38 3HG2 ILE 5 3HG2 ILE 5 -2.578 2.652 -6.752 39 1HD1 ILE 5 1HD1 ILE 5 -2.852 5.633 -6.467 40 2HD1 ILE 5 2HD1 ILE 5 -4.132 6.654 -7.134 41 3HD1 ILE 5 3HD1 ILE 5 -4.364 5.886 -5.554 42 H LEU 6 H LEU 6 -3.728 0.163 -6.891 43 HA LEU 6 HA LEU 6 -5.185 -1.189 -4.645 44 1HB LEU 6 1HB LEU 6 -4.859 -2.218 -7.206 45 2HB LEU 6 2HB LEU 6 -3.438 -2.842 -6.388 46 HG LEU 6 HG LEU 6 -6.359 -3.303 -5.697 47 1HD1 LEU 6 1HD1 LEU 6 -5.356 -4.600 -7.604 48 2HD1 LEU 6 2HD1 LEU 6 -4.118 -5.220 -6.504 49 3HD1 LEU 6 3HD1 LEU 6 -5.828 -5.636 -6.247 50 1HD2 LEU 6 1HD2 LEU 6 -3.936 -4.285 -4.147 51 2HD2 LEU 6 2HD2 LEU 6 -5.227 -3.222 -3.560 52 3HD2 LEU 6 3HD2 LEU 6 -5.599 -4.887 -3.960 53 H VAL 7 H VAL 7 -3.817 -1.849 -2.940 54 HA VAL 7 HA VAL 7 -0.882 -1.477 -3.305 55 HB VAL 7 HB VAL 7 -2.466 -1.228 -0.719 56 1HG1 VAL 7 1HG1 VAL 7 -0.116 -1.982 -0.433 57 2HG1 VAL 7 2HG1 VAL 7 0.450 -0.607 -1.403 58 3HG1 VAL 7 3HG1 VAL 7 -0.343 -0.344 0.164 59 1HG2 VAL 7 1HG2 VAL 7 -1.282 0.979 -2.472 60 2HG2 VAL 7 2HG2 VAL 7 -3.003 0.705 -2.137 61 3HG2 VAL 7 3HG2 VAL 7 -1.930 1.202 -0.829 62 H VAL 8 H VAL 8 0.353 -3.279 -2.917 63 HA VAL 8 HA VAL 8 -1.082 -5.729 -1.999 64 HB VAL 8 HB VAL 8 0.825 -5.499 -4.360 65 1HG1 VAL 8 1HG1 VAL 8 0.030 -7.777 -4.885 66 2HG1 VAL 8 2HG1 VAL 8 0.763 -7.743 -3.282 67 3HG1 VAL 8 3HG1 VAL 8 -1.012 -7.765 -3.457 68 1HG2 VAL 8 1HG2 VAL 8 -1.270 -4.354 -4.971 69 2HG2 VAL 8 2HG2 VAL 8 -1.131 -5.889 -5.822 70 3HG2 VAL 8 3HG2 VAL 8 -2.208 -5.755 -4.414 71 H CYS 9 H CYS 9 0.041 -6.768 -0.372 72 HA CYS 9 HA CYS 9 3.013 -6.370 -0.240 73 1HB CYS 9 1HB CYS 9 1.099 -6.292 2.138 74 2HB CYS 9 2HB CYS 9 2.862 -6.069 2.170 75 HG CYS 9 HG CYS 9 0.438 -4.222 0.997 76 H VAL 10 H VAL 10 3.927 -8.019 1.556 77 HA VAL 10 HA VAL 10 2.815 -10.672 0.869 78 HB VAL 10 HB VAL 10 5.175 -10.508 0.980 79 1HG1 VAL 10 1HG1 VAL 10 6.463 -10.081 3.013 80 2HG1 VAL 10 2HG1 VAL 10 5.528 -8.668 2.538 81 3HG1 VAL 10 3HG1 VAL 10 4.986 -9.682 3.905 82 1HG2 VAL 10 1HG2 VAL 10 4.208 -12.117 3.368 83 2HG2 VAL 10 2HG2 VAL 10 4.136 -12.631 1.667 84 3HG2 VAL 10 3HG2 VAL 10 5.704 -12.364 2.445 85 H GLY 11 H GLY 11 2.917 -8.433 3.684 86 1HA GLY 11 1HA GLY 11 0.954 -10.159 5.116 87 2HA GLY 11 2HA GLY 11 1.971 -8.887 5.832 88 H ASN 12 H ASN 12 -0.385 -9.243 3.184 89 HA ASN 12 HA ASN 12 -1.567 -6.922 2.846 90 1HB ASN 12 1HB ASN 12 -2.288 -9.068 1.879 91 2HB ASN 12 2HB ASN 12 -3.078 -9.510 3.388 92 1HD2 ASN 12 2HD2 ASN 12 -4.042 -6.334 3.301 93 2HD2 ASN 12 1HD2 ASN 12 -5.461 -6.580 2.300 94 H ILE 13 H ILE 13 -2.287 -8.858 5.824 95 HA ILE 13 HA ILE 13 -4.454 -7.287 6.668 96 HB ILE 13 HB ILE 13 -4.149 -8.344 8.855 97 1HG1 ILE 13 1HG1 ILE 13 -1.536 -9.503 7.777 98 2HG1 ILE 13 2HG1 ILE 13 -1.657 -8.216 8.977 99 1HG2 ILE 13 1HG2 ILE 13 -5.238 -9.542 6.985 100 2HG2 ILE 13 2HG2 ILE 13 -3.693 -10.338 6.588 101 3HG2 ILE 13 3HG2 ILE 13 -4.498 -10.627 8.143 102 1HD1 ILE 13 1HD1 ILE 13 -2.942 -9.795 10.470 103 2HD1 ILE 13 2HD1 ILE 13 -2.567 -11.097 9.313 104 3HD1 ILE 13 3HD1 ILE 13 -1.258 -10.254 10.157 105 H CYS 14 H CYS 14 -1.346 -6.009 6.447 106 HA CYS 14 HA CYS 14 -2.000 -3.985 8.526 107 1HB CYS 14 1HB CYS 14 0.310 -4.116 9.445 108 2HB CYS 14 2HB CYS 14 -0.736 -5.493 9.828 109 HG CYS 14 HG CYS 14 0.211 -6.981 7.765 110 H ARG 15 H ARG 15 0.431 -4.883 5.955 111 HA ARG 15 HA ARG 15 1.398 -2.142 5.945 112 1HB ARG 15 1HB ARG 15 1.869 -4.523 4.116 113 2HB ARG 15 2HB ARG 15 2.713 -2.971 3.935 114 1HG ARG 15 1HG ARG 15 3.788 -3.207 6.094 115 2HG ARG 15 2HG ARG 15 2.744 -4.553 6.529 116 1HD ARG 15 1HD ARG 15 4.551 -5.757 5.996 117 2HD ARG 15 2HD ARG 15 3.791 -5.737 4.414 118 HE ARG 15 HE ARG 15 5.680 -3.539 4.831 119 1HH1 ARG 15 1HH2 ARG 15 5.881 -7.062 4.518 120 2HH1 ARG 15 2HH2 ARG 15 7.127 -6.979 3.285 121 1HH2 ARG 15 1HH1 ARG 15 7.786 -3.662 3.677 122 2HH2 ARG 15 2HH1 ARG 15 8.187 -5.191 2.947 123 H SER 16 H SER 16 -0.526 -4.077 3.556 124 HA SER 16 HA SER 16 -1.005 -2.020 1.790 125 1HB SER 16 1HB SER 16 -3.026 -4.178 2.417 126 2HB SER 16 2HB SER 16 -2.741 -3.341 0.880 127 HG SER 16 HG SER 16 -1.770 -5.374 0.830 128 HA PRO 17 HA PRO 17 -5.042 -0.699 3.901 129 1HB PRO 17 1HB PRO 17 -5.484 -1.126 6.603 130 2HB PRO 17 2HB PRO 17 -6.076 -2.152 5.277 131 1HG PRO 17 1HG PRO 17 -3.596 -2.524 6.970 132 2HG PRO 17 2HG PRO 17 -4.817 -3.755 6.513 133 1HD PRO 17 1HD PRO 17 -2.501 -3.566 5.155 134 2HD PRO 17 2HD PRO 17 -4.037 -3.837 4.283 135 H THR 18 H THR 18 -2.014 -0.581 5.820 136 HA THR 18 HA THR 18 -2.644 1.928 7.115 137 HB THR 18 HB THR 18 0.054 0.637 6.519 138 HG1 THR 18 1HG THR 18 -0.996 -0.733 7.815 139 1HG2 THR 18 1HG2 THR 18 -0.795 2.840 8.453 140 2HG2 THR 18 2HG2 THR 18 0.764 1.984 8.536 141 3HG2 THR 18 3HG2 THR 18 0.372 2.979 7.125 142 H ALA 19 H ALA 19 -0.837 1.042 4.100 143 HA ALA 19 HA ALA 19 -0.387 3.744 3.250 144 1HB ALA 19 1HB ALA 19 0.877 2.059 2.177 145 2HB ALA 19 2HB ALA 19 -0.562 1.061 1.848 146 3HB ALA 19 3HB ALA 19 -0.318 2.570 0.956 147 H GLU 20 H GLU 20 -3.022 1.384 2.519 148 HA GLU 20 HA GLU 20 -4.483 2.848 0.680 149 1HB GLU 20 1HB GLU 20 -4.952 0.515 1.412 150 2HB GLU 20 2HB GLU 20 -5.513 1.131 2.971 151 1HG GLU 20 1HG GLU 20 -7.326 2.396 1.738 152 2HG GLU 20 2HG GLU 20 -6.819 1.522 0.289 153 H ARG 21 H ARG 21 -4.917 2.931 4.271 154 HA ARG 21 HA ARG 21 -6.921 4.987 4.015 155 1HB ARG 21 1HB ARG 21 -5.401 3.951 6.451 156 2HB ARG 21 2HB ARG 21 -6.799 5.017 6.504 157 1HG ARG 21 1HG ARG 21 -6.800 2.208 5.362 158 2HG ARG 21 2HG ARG 21 -7.393 2.661 6.949 159 1HD ARG 21 1HD ARG 21 -9.295 3.769 6.074 160 2HD ARG 21 2HD ARG 21 -8.596 3.935 4.465 161 HE ARG 21 HE ARG 21 -8.987 1.719 3.935 162 1HH1 ARG 21 1HH1 ARG 21 -10.048 2.251 7.310 163 2HH1 ARG 21 2HH1 ARG 21 -10.880 0.732 7.387 164 1HH2 ARG 21 1HH2 ARG 21 -9.978 -0.117 4.011 165 2HH2 ARG 21 2HH2 ARG 21 -10.990 -0.637 5.356 166 H LEU 22 H LEU 22 -3.415 5.130 4.664 167 HA LEU 22 HA LEU 22 -3.395 7.917 5.338 168 1HB LEU 22 1HB LEU 22 -1.381 5.994 4.135 169 2HB LEU 22 2HB LEU 22 -0.999 7.703 4.281 170 HG LEU 22 HG LEU 22 -1.944 6.099 6.697 171 1HD1 LEU 22 1HD1 LEU 22 0.861 6.469 5.609 172 2HD1 LEU 22 2HD1 LEU 22 0.507 5.932 7.272 173 3HD1 LEU 22 3HD1 LEU 22 0.014 4.954 5.881 174 1HD2 LEU 22 1HD2 LEU 22 -2.079 8.508 7.005 175 2HD2 LEU 22 2HD2 LEU 22 -0.670 7.923 7.887 176 3HD2 LEU 22 3HD2 LEU 22 -0.455 8.741 6.329 177 H LEU 23 H LEU 23 -3.296 6.208 2.166 178 HA LEU 23 HA LEU 23 -3.110 8.650 0.644 179 1HB LEU 23 1HB LEU 23 -3.972 5.820 -0.028 180 2HB LEU 23 2HB LEU 23 -4.033 7.122 -1.215 181 HG LEU 23 HG LEU 23 -1.466 6.454 0.272 182 1HD1 LEU 23 1HD1 LEU 23 -0.839 5.220 -1.852 183 2HD1 LEU 23 2HD1 LEU 23 -2.036 4.411 -0.829 184 3HD1 LEU 23 3HD1 LEU 23 -2.547 5.265 -2.314 185 1HD2 LEU 23 1HD2 LEU 23 -0.401 7.559 -1.667 186 2HD2 LEU 23 2HD2 LEU 23 -1.997 7.893 -2.369 187 3HD2 LEU 23 3HD2 LEU 23 -1.504 8.664 -0.848 188 H GLN 24 H GLN 24 -5.955 6.694 1.788 189 HA GLN 24 HA GLN 24 -7.912 8.327 0.525 190 1HB GLN 24 1HB GLN 24 -8.055 6.838 3.187 191 2HB GLN 24 2HB GLN 24 -9.415 7.630 2.424 192 1HG GLN 24 1HG GLN 24 -7.917 5.215 1.360 193 2HG GLN 24 2HG GLN 24 -9.542 5.264 2.023 194 1HE2 GLN 24 2HE2 GLN 24 -10.781 7.381 0.684 195 2HE2 GLN 24 1HE2 GLN 24 -10.669 7.136 -1.061 196 H ARG 25 H ARG 25 -6.249 8.745 3.725 197 HA ARG 25 HA ARG 25 -7.723 11.050 4.439 198 1HB ARG 25 1HB ARG 25 -6.503 9.819 6.091 199 2HB ARG 25 2HB ARG 25 -4.958 10.090 5.279 200 1HG ARG 25 1HG ARG 25 -4.872 12.366 5.877 201 2HG ARG 25 2HG ARG 25 -6.595 12.457 6.254 202 1HD ARG 25 1HD ARG 25 -4.690 10.716 7.863 203 2HD ARG 25 2HD ARG 25 -4.943 12.436 8.220 204 HE ARG 25 HE ARG 25 -7.492 11.336 8.034 205 1HH1 ARG 25 1HH2 ARG 25 -4.689 10.917 10.178 206 2HH1 ARG 25 2HH2 ARG 25 -5.633 10.462 11.558 207 1HH2 ARG 25 1HH1 ARG 25 -8.743 10.786 9.855 208 2HH2 ARG 25 2HH1 ARG 25 -8.001 10.315 11.339 209 H TYR 26 H TYR 26 -4.566 10.794 2.663 210 HA TYR 26 HA TYR 26 -4.400 13.656 2.437 211 1HB TYR 26 1HB TYR 26 -2.863 11.349 1.230 212 2HB TYR 26 2HB TYR 26 -2.641 12.985 0.629 213 HD1 TYR 26 HD1 TYR 26 -2.507 14.845 2.636 214 HD2 TYR 26 HD2 TYR 26 -1.161 10.746 2.825 215 HE1 TYR 26 HE1 TYR 26 -0.976 15.441 4.474 216 HE2 TYR 26 HE2 TYR 26 0.447 11.360 4.614 217 HH TYR 26 HH TYR 26 1.351 13.148 5.931 218 H HIS 27 H HIS 27 -5.945 11.229 0.368 219 HA HIS 27 HA HIS 27 -7.023 13.437 -1.306 220 1HB HIS 27 1HB HIS 27 -5.505 10.999 -2.239 221 2HB HIS 27 2HB HIS 27 -6.770 11.695 -3.240 222 HD1 HIS 27 HD1 HIS 27 -6.363 14.346 -4.058 223 HD2 HIS 27 HD2 HIS 27 -3.125 12.088 -2.545 224 HE1 HIS 27 HE1 HIS 27 -4.238 15.530 -4.792 225 HA PRO 28 HA PRO 28 -10.373 10.697 0.367 226 1HB PRO 28 1HB PRO 28 -11.801 13.302 -0.176 227 2HB PRO 28 2HB PRO 28 -12.035 12.151 1.177 228 1HG PRO 28 1HG PRO 28 -10.623 14.431 1.561 229 2HG PRO 28 2HG PRO 28 -10.023 12.883 2.242 230 1HD PRO 28 1HD PRO 28 -9.133 14.290 -0.287 231 2HD PRO 28 2HD PRO 28 -8.145 13.515 0.989 232 H GLU 29 H GLU 29 -9.971 12.650 -2.534 233 HA GLU 29 HA GLU 29 -12.231 11.696 -4.007 234 1HB GLU 29 1HB GLU 29 -11.150 12.774 -5.887 235 2HB GLU 29 2HB GLU 29 -10.974 13.788 -4.454 236 1HG GLU 29 1HG GLU 29 -8.643 12.652 -4.173 237 2HG GLU 29 2HG GLU 29 -8.854 12.088 -5.828 238 H LEU 30 H LEU 30 -9.186 10.140 -3.199 239 HA LEU 30 HA LEU 30 -9.079 8.500 -5.629 240 1HB LEU 30 1HB LEU 30 -7.489 8.640 -3.040 241 2HB LEU 30 2HB LEU 30 -7.377 7.220 -4.048 242 HG LEU 30 HG LEU 30 -6.662 10.003 -4.989 243 1HD1 LEU 30 1HD1 LEU 30 -5.114 9.075 -3.269 244 2HD1 LEU 30 2HD1 LEU 30 -4.927 7.606 -4.224 245 3HD1 LEU 30 3HD1 LEU 30 -4.343 9.160 -4.860 246 1HD2 LEU 30 1HD2 LEU 30 -6.561 7.248 -6.310 247 2HD2 LEU 30 2HD2 LEU 30 -7.338 8.734 -6.909 248 3HD2 LEU 30 3HD2 LEU 30 -5.581 8.613 -6.873 249 H LYS 31 H LYS 31 -9.264 6.282 -5.707 250 HA LYS 31 HA LYS 31 -10.729 4.933 -3.467 251 1HB LYS 31 1HB LYS 31 -12.077 4.992 -5.521 252 2HB LYS 31 2HB LYS 31 -10.703 4.455 -6.484 253 1HG LYS 31 1HG LYS 31 -12.288 2.650 -6.152 254 2HG LYS 31 2HG LYS 31 -10.735 2.246 -5.425 255 1HD LYS 31 1HD LYS 31 -11.570 2.581 -3.195 256 2HD LYS 31 2HD LYS 31 -13.038 3.393 -3.791 257 1HE LYS 31 1HE LYS 31 -13.822 1.335 -4.837 258 2HE LYS 31 2HE LYS 31 -12.334 0.487 -4.402 259 1HZ LYS 31 1HZ LYS 31 -12.927 0.562 -2.123 260 2HZ LYS 31 2HZ LYS 31 -14.187 1.605 -2.380 261 3HZ LYS 31 3HZ LYS 31 -14.262 0.068 -2.915 262 H VAL 32 H VAL 32 -9.076 4.035 -2.313 263 HA VAL 32 HA VAL 32 -7.010 2.525 -3.826 264 HB VAL 32 HB VAL 32 -6.638 3.714 -1.054 265 1HG1 VAL 32 1HG1 VAL 32 -4.235 3.296 -1.573 266 2HG1 VAL 32 2HG1 VAL 32 -5.175 1.802 -1.589 267 3HG1 VAL 32 3HG1 VAL 32 -4.700 2.565 -3.121 268 1HG2 VAL 32 1HG2 VAL 32 -5.114 5.368 -2.233 269 2HG2 VAL 32 2HG2 VAL 32 -5.861 4.883 -3.765 270 3HG2 VAL 32 3HG2 VAL 32 -6.832 5.640 -2.485 271 H GLU 33 H GLU 33 -6.725 0.434 -3.253 272 HA GLU 33 HA GLU 33 -8.366 -0.708 -1.028 273 1HB GLU 33 1HB GLU 33 -8.264 -1.431 -3.980 274 2HB GLU 33 2HB GLU 33 -8.731 -2.622 -2.789 275 1HG GLU 33 1HG GLU 33 -10.139 0.052 -3.207 276 2HG GLU 33 2HG GLU 33 -10.685 -1.487 -3.837 277 H SER 34 H SER 34 -7.644 -3.030 -0.660 278 HA SER 34 HA SER 34 -4.671 -3.216 -0.855 279 1HB SER 34 1HB SER 34 -6.633 -3.950 1.345 280 2HB SER 34 2HB SER 34 -4.909 -4.340 1.365 281 HG SER 34 HG SER 34 -6.173 -1.799 1.426 282 H ALA 35 H ALA 35 -3.734 -5.262 -1.056 283 HA ALA 35 HA ALA 35 -5.272 -7.718 -0.793 284 1HB ALA 35 1HB ALA 35 -5.733 -7.163 -3.178 285 2HB ALA 35 2HB ALA 35 -3.986 -7.012 -3.478 286 3HB ALA 35 3HB ALA 35 -4.695 -8.582 -3.041 287 H GLY 36 H GLY 36 -3.407 -9.572 -1.498 288 1HA GLY 36 1HA GLY 36 -0.702 -8.534 -1.329 289 2HA GLY 36 2HA GLY 36 -1.173 -9.443 0.094 290 H LEU 37 H LEU 37 0.991 -10.141 -1.405 291 HA LEU 37 HA LEU 37 0.388 -12.261 -3.322 292 1HB LEU 37 1HB LEU 37 2.877 -11.345 -1.832 293 2HB LEU 37 2HB LEU 37 2.888 -12.789 -2.835 294 HG LEU 37 HG LEU 37 1.972 -10.116 -3.960 295 1HD1 LEU 37 1HD1 LEU 37 4.254 -9.803 -4.844 296 2HD1 LEU 37 2HD1 LEU 37 4.218 -9.759 -3.075 297 3HD1 LEU 37 3HD1 LEU 37 4.814 -11.211 -3.907 298 1HD2 LEU 37 1HD2 LEU 37 1.457 -12.187 -5.285 299 2HD2 LEU 37 2HD2 LEU 37 2.591 -11.116 -6.112 300 3HD2 LEU 37 3HD2 LEU 37 3.179 -12.582 -5.303 301 H GLY 38 H GLY 38 1.405 -12.132 0.129 302 1HA GLY 38 1HA GLY 38 0.713 -15.029 0.413 303 2HA GLY 38 2HA GLY 38 1.848 -14.122 1.423 304 H ALA 39 H ALA 39 -1.339 -12.983 0.310 305 HA ALA 39 HA ALA 39 -2.022 -11.979 2.903 306 1HB ALA 39 1HB ALA 39 -4.172 -11.415 1.814 307 2HB ALA 39 2HB ALA 39 -2.837 -11.036 0.720 308 3HB ALA 39 3HB ALA 39 -3.795 -12.509 0.476 309 H LEU 40 H LEU 40 -4.121 -12.492 3.970 310 HA LEU 40 HA LEU 40 -4.671 -15.436 4.096 311 1HB LEU 40 1HB LEU 40 -4.636 -13.318 6.286 312 2HB LEU 40 2HB LEU 40 -5.246 -14.959 6.497 313 HG LEU 40 HG LEU 40 -2.369 -14.264 5.741 314 1HD1 LEU 40 1HD1 LEU 40 -3.541 -15.117 8.418 315 2HD1 LEU 40 2HD1 LEU 40 -1.813 -14.905 8.053 316 3HD1 LEU 40 3HD1 LEU 40 -2.892 -13.509 8.005 317 1HD2 LEU 40 1HD2 LEU 40 -1.899 -16.635 6.353 318 2HD2 LEU 40 2HD2 LEU 40 -3.643 -16.923 6.528 319 3HD2 LEU 40 3HD2 LEU 40 -2.948 -16.507 4.944 320 H VAL 41 H VAL 41 -6.313 -15.341 2.575 321 HA VAL 41 HA VAL 41 -8.073 -13.244 2.228 322 HB VAL 41 HB VAL 41 -7.682 -14.923 0.577 323 1HG1 VAL 41 1HG1 VAL 41 -7.548 -16.973 1.957 324 2HG1 VAL 41 2HG1 VAL 41 -9.301 -16.901 2.228 325 3HG1 VAL 41 3HG1 VAL 41 -8.659 -17.154 0.596 326 1HG2 VAL 41 1HG2 VAL 41 -9.779 -13.604 0.456 327 2HG2 VAL 41 2HG2 VAL 41 -9.919 -15.195 -0.308 328 3HG2 VAL 41 3HG2 VAL 41 -10.638 -14.916 1.290 329 H GLY 42 H GLY 42 -9.764 -12.411 3.211 330 1HA GLY 42 1HA GLY 42 -11.792 -12.388 4.335 331 2HA GLY 42 2HA GLY 42 -11.571 -14.069 4.831 332 H LYS 43 H LYS 43 -8.640 -12.873 5.745 333 HA LYS 43 HA LYS 43 -9.501 -12.592 8.514 334 1HB LYS 43 1HB LYS 43 -7.339 -13.651 7.736 335 2HB LYS 43 2HB LYS 43 -6.742 -12.030 7.338 336 1HG LYS 43 1HG LYS 43 -6.892 -11.342 9.667 337 2HG LYS 43 2HG LYS 43 -7.778 -12.815 10.099 338 1HD LYS 43 1HD LYS 43 -5.798 -14.186 9.582 339 2HD LYS 43 2HD LYS 43 -4.892 -12.723 9.134 340 1HE LYS 43 1HE LYS 43 -5.165 -11.825 11.417 341 2HE LYS 43 2HE LYS 43 -6.156 -13.215 11.869 342 1HZ LYS 43 1HZ LYS 43 -3.890 -13.474 12.631 343 2HZ LYS 43 2HZ LYS 43 -4.223 -14.637 11.545 344 3HZ LYS 43 3HZ LYS 43 -3.289 -13.358 11.120 345 H GLY 44 H GLY 44 -9.455 -10.688 9.791 346 1HA GLY 44 1HA GLY 44 -10.011 -8.195 8.415 347 2HA GLY 44 2HA GLY 44 -9.910 -8.457 10.160 348 H ALA 45 H ALA 45 -8.838 -6.187 9.635 349 HA ALA 45 HA ALA 45 -6.031 -6.284 8.851 350 1HB ALA 45 1HB ALA 45 -5.959 -3.990 9.758 351 2HB ALA 45 2HB ALA 45 -7.254 -4.189 8.570 352 3HB ALA 45 3HB ALA 45 -7.642 -4.141 10.306 353 H ASP 46 H ASP 46 -4.259 -5.939 10.342 354 HA ASP 46 HA ASP 46 -4.408 -7.704 12.596 355 1HB ASP 46 1HB ASP 46 -2.383 -7.399 11.207 356 2HB ASP 46 2HB ASP 46 -2.206 -5.756 11.831 357 HA PRO 47 HA PRO 47 -5.941 -4.753 15.622 358 1HB PRO 47 1HB PRO 47 -4.258 -6.418 17.502 359 2HB PRO 47 2HB PRO 47 -5.921 -5.790 17.735 360 1HG PRO 47 1HG PRO 47 -5.536 -8.367 16.997 361 2HG PRO 47 2HG PRO 47 -6.817 -7.393 16.203 362 1HD PRO 47 1HD PRO 47 -4.060 -8.073 15.171 363 2HD PRO 47 2HD PRO 47 -5.628 -8.043 14.306 364 H THR 48 H THR 48 -2.437 -5.377 15.285 365 HA THR 48 HA THR 48 -1.711 -3.205 17.098 366 HB THR 48 HB THR 48 0.195 -4.335 15.072 367 HG1 THR 48 1HG THR 48 -0.773 -6.141 15.610 368 1HG2 THR 48 1HG2 THR 48 1.733 -4.306 17.034 369 2HG2 THR 48 2HG2 THR 48 1.007 -2.722 16.715 370 3HG2 THR 48 3HG2 THR 48 0.401 -3.721 18.057 371 H ALA 49 H ALA 49 -2.033 -3.748 13.555 372 HA ALA 49 HA ALA 49 -1.094 -1.157 12.746 373 1HB ALA 49 1HB ALA 49 -2.285 -1.699 10.643 374 2HB ALA 49 2HB ALA 49 -1.319 -3.081 11.204 375 3HB ALA 49 3HB ALA 49 -3.077 -3.081 11.436 376 H ILE 50 H ILE 50 -4.337 -2.489 13.576 377 HA ILE 50 HA ILE 50 -5.797 -0.080 13.197 378 HB ILE 50 HB ILE 50 -6.255 -2.384 15.114 379 1HG1 ILE 50 1HG1 ILE 50 -7.586 -1.825 12.419 380 2HG1 ILE 50 2HG1 ILE 50 -6.239 -2.937 12.625 381 1HG2 ILE 50 1HG2 ILE 50 -8.622 -1.631 15.256 382 2HG2 ILE 50 2HG2 ILE 50 -7.534 -0.407 15.877 383 3HG2 ILE 50 3HG2 ILE 50 -8.224 -0.219 14.253 384 1HD1 ILE 50 1HD1 ILE 50 -7.617 -4.315 14.187 385 2HD1 ILE 50 2HD1 ILE 50 -9.011 -3.270 13.825 386 3HD1 ILE 50 3HD1 ILE 50 -8.262 -4.221 12.543 387 H SER 51 H SER 51 -4.159 -1.334 16.181 388 HA SER 51 HA SER 51 -4.967 0.843 17.797 389 1HB SER 51 1HB SER 51 -2.518 -0.949 18.082 390 2HB SER 51 2HB SER 51 -3.244 0.054 19.357 391 HG SER 51 HG SER 51 -4.358 -2.195 18.022 392 H VAL 52 H VAL 52 -1.993 0.460 15.778 393 HA VAL 52 HA VAL 52 -0.883 2.989 16.608 394 HB VAL 52 HB VAL 52 -0.412 1.140 14.246 395 1HG1 VAL 52 1HG1 VAL 52 1.591 2.421 13.696 396 2HG1 VAL 52 2HG1 VAL 52 0.163 3.421 13.468 397 3HG1 VAL 52 3HG1 VAL 52 1.173 3.660 14.909 398 1HG2 VAL 52 1HG2 VAL 52 1.178 1.877 16.759 399 2HG2 VAL 52 2HG2 VAL 52 0.350 0.336 16.449 400 3HG2 VAL 52 3HG2 VAL 52 1.757 0.802 15.487 401 H ALA 53 H ALA 53 -3.129 2.081 13.893 402 HA ALA 53 HA ALA 53 -3.099 4.738 12.793 403 1HB ALA 53 1HB ALA 53 -3.812 2.723 11.544 404 2HB ALA 53 2HB ALA 53 -5.215 2.567 12.634 405 3HB ALA 53 3HB ALA 53 -5.068 3.974 11.553 406 H ALA 54 H ALA 54 -5.087 3.170 15.335 407 HA ALA 54 HA ALA 54 -6.926 5.307 15.674 408 1HB ALA 54 1HB ALA 54 -7.265 3.029 16.591 409 2HB ALA 54 2HB ALA 54 -5.903 3.272 17.712 410 3HB ALA 54 3HB ALA 54 -7.370 4.260 17.866 411 H GLU 55 H GLU 55 -3.594 4.832 16.980 412 HA GLU 55 HA GLU 55 -3.601 7.028 18.745 413 1HB GLU 55 1HB GLU 55 -1.826 5.206 18.339 414 2HB GLU 55 2HB GLU 55 -1.214 6.242 17.040 415 1HG GLU 55 1HG GLU 55 -0.889 8.085 18.682 416 2HG GLU 55 2HG GLU 55 -1.495 7.035 19.968 417 H HIS 56 H HIS 56 -3.702 6.994 15.258 418 HA HIS 56 HA HIS 56 -3.345 9.949 15.128 419 1HB HIS 56 1HB HIS 56 -3.085 7.842 12.949 420 2HB HIS 56 2HB HIS 56 -2.851 9.579 12.742 421 HD1 HIS 56 HD1 HIS 56 -0.687 10.616 14.294 422 HD2 HIS 56 HD2 HIS 56 -0.951 6.467 13.629 423 HE1 HIS 56 HE1 HIS 56 1.604 9.655 14.845 424 H GLN 57 H GLN 57 -5.746 8.055 15.823 425 HA GLN 57 HA GLN 57 -7.938 7.750 15.293 426 1HB GLN 57 1HB GLN 57 -7.758 10.782 14.958 427 2HB GLN 57 2HB GLN 57 -9.220 9.846 15.255 428 1HG GLN 57 1HG GLN 57 -8.687 10.710 17.352 429 2HG GLN 57 2HG GLN 57 -8.165 9.035 17.430 430 1HE2 GLN 57 2HE2 GLN 57 -6.041 8.680 18.110 431 2HE2 GLN 57 1HE2 GLN 57 -4.784 9.896 18.138 432 H LEU 58 H LEU 58 -6.721 6.758 13.238 433 HA LEU 58 HA LEU 58 -8.452 7.664 10.964 434 1HB LEU 58 1HB LEU 58 -5.796 7.853 10.822 435 2HB LEU 58 2HB LEU 58 -5.889 6.119 10.558 436 HG LEU 58 HG LEU 58 -7.047 8.372 8.885 437 1HD1 LEU 58 1HD1 LEU 58 -5.642 7.451 7.136 438 2HD1 LEU 58 2HD1 LEU 58 -4.670 7.752 8.580 439 3HD1 LEU 58 3HD1 LEU 58 -5.160 6.093 8.184 440 1HD2 LEU 58 1HD2 LEU 58 -7.971 6.683 7.321 441 2HD2 LEU 58 2HD2 LEU 58 -7.724 5.428 8.574 442 3HD2 LEU 58 3HD2 LEU 58 -8.844 6.791 8.824 443 H SER 59 H SER 59 -10.037 6.155 10.607 444 HA SER 59 HA SER 59 -10.066 3.704 12.014 445 1HB SER 59 1HB SER 59 -11.752 4.515 9.601 446 2HB SER 59 2HB SER 59 -12.159 3.303 10.829 447 HG SER 59 HG SER 59 -13.178 5.327 11.219 448 H LEU 60 H LEU 60 -8.918 1.931 11.526 449 HA LEU 60 HA LEU 60 -7.786 1.565 8.786 450 1HB LEU 60 1HB LEU 60 -6.406 1.914 10.884 451 2HB LEU 60 2HB LEU 60 -6.972 0.363 11.458 452 HG LEU 60 HG LEU 60 -4.672 0.412 10.585 453 1HD1 LEU 60 1HD1 LEU 60 -4.666 -1.611 9.314 454 2HD1 LEU 60 2HD1 LEU 60 -5.926 -1.712 10.549 455 3HD1 LEU 60 3HD1 LEU 60 -6.362 -1.411 8.852 456 1HD2 LEU 60 1HD2 LEU 60 -4.987 2.084 8.793 457 2HD2 LEU 60 2HD2 LEU 60 -4.155 0.619 8.248 458 3HD2 LEU 60 3HD2 LEU 60 -5.859 0.871 7.825 459 H GLU 61 H GLU 61 -9.615 0.147 11.447 460 HA GLU 61 HA GLU 61 -10.183 -2.415 10.381 461 1HB GLU 61 1HB GLU 61 -12.151 -2.318 11.868 462 2HB GLU 61 2HB GLU 61 -10.670 -1.858 12.678 463 1HG GLU 61 1HG GLU 61 -12.393 0.353 11.543 464 2HG GLU 61 2HG GLU 61 -12.970 -0.518 12.952 465 H GLY 62 H GLY 62 -12.561 -3.048 9.725 466 1HA GLY 62 1HA GLY 62 -14.172 -2.949 8.047 467 2HA GLY 62 2HA GLY 62 -13.792 -1.237 7.761 468 H HIS 63 H HIS 63 -12.077 -4.407 7.637 469 HA HIS 63 HA HIS 63 -11.059 -3.920 4.920 470 1HB HIS 63 1HB HIS 63 -9.399 -2.796 6.324 471 2HB HIS 63 2HB HIS 63 -9.370 -4.148 7.453 472 HD1 HIS 63 HD1 HIS 63 -7.984 -3.140 4.028 473 HD2 HIS 63 HD2 HIS 63 -7.916 -6.321 6.787 474 HE1 HIS 63 HE1 HIS 63 -6.047 -4.644 3.370 475 H CYS 64 H CYS 64 -10.660 -5.887 3.905 476 HA CYS 64 HA CYS 64 -10.447 -8.342 5.560 477 1HB CYS 64 1HB CYS 64 -12.104 -8.090 3.006 478 2HB CYS 64 2HB CYS 64 -11.758 -9.588 3.877 479 HG CYS 64 HG CYS 64 -12.863 -8.826 6.157 480 H ALA 65 H ALA 65 -8.572 -9.333 5.048 481 HA ALA 65 HA ALA 65 -6.959 -8.487 2.793 482 1HB ALA 65 1HB ALA 65 -6.719 -10.695 4.874 483 2HB ALA 65 2HB ALA 65 -5.509 -10.422 3.602 484 3HB ALA 65 3HB ALA 65 -5.841 -9.151 4.796 485 H ARG 66 H ARG 66 -6.188 -9.964 1.102 486 HA ARG 66 HA ARG 66 -7.740 -12.297 0.327 487 1HB ARG 66 1HB ARG 66 -8.726 -11.270 -1.730 488 2HB ARG 66 2HB ARG 66 -9.446 -10.668 -0.239 489 1HG ARG 66 1HG ARG 66 -7.911 -8.647 -0.402 490 2HG ARG 66 2HG ARG 66 -7.426 -9.214 -2.008 491 1HD ARG 66 1HD ARG 66 -9.659 -8.913 -2.865 492 2HD ARG 66 2HD ARG 66 -10.317 -8.706 -1.223 493 HE ARG 66 HE ARG 66 -8.212 -6.819 -1.877 494 1HH1 ARG 66 2HH2 ARG 66 -11.754 -7.238 -2.041 495 2HH1 ARG 66 1HH2 ARG 66 -12.062 -5.558 -1.784 496 1HH2 ARG 66 1HH1 ARG 66 -8.597 -4.769 -1.542 497 2HH2 ARG 66 2HH1 ARG 66 -10.195 -4.045 -1.478 498 H GLN 67 H GLN 67 -6.683 -13.341 -1.482 499 HA GLN 67 HA GLN 67 -3.927 -12.437 -1.841 500 1HB GLN 67 1HB GLN 67 -5.434 -14.868 -2.858 501 2HB GLN 67 2HB GLN 67 -3.859 -14.381 -3.496 502 1HG GLN 67 1HG GLN 67 -3.023 -14.346 -1.053 503 2HG GLN 67 2HG GLN 67 -4.497 -15.238 -0.655 504 1HE2 GLN 67 2HE2 GLN 67 -1.338 -15.334 -2.307 505 2HE2 GLN 67 1HE2 GLN 67 -1.372 -17.037 -2.688 506 H ILE 68 H ILE 68 -3.036 -11.558 -3.493 507 HA ILE 68 HA ILE 68 -4.578 -10.071 -5.385 508 HB ILE 68 HB ILE 68 -2.306 -9.504 -4.554 509 1HG1 ILE 68 1HG1 ILE 68 -1.278 -8.787 -6.660 510 2HG1 ILE 68 2HG1 ILE 68 -2.342 -9.826 -7.595 511 1HG2 ILE 68 1HG2 ILE 68 -1.172 -11.645 -6.374 512 2HG2 ILE 68 2HG2 ILE 68 -0.308 -10.560 -5.272 513 3HG2 ILE 68 3HG2 ILE 68 -1.345 -11.842 -4.627 514 1HD1 ILE 68 1HD1 ILE 68 -2.954 -7.420 -7.592 515 2HD1 ILE 68 2HD1 ILE 68 -4.261 -8.432 -6.942 516 3HD1 ILE 68 3HD1 ILE 68 -3.215 -7.496 -5.841 517 H SER 69 H SER 69 -4.842 -10.474 -7.591 518 HA SER 69 HA SER 69 -4.083 -13.089 -8.712 519 1HB SER 69 1HB SER 69 -6.369 -13.477 -9.531 520 2HB SER 69 2HB SER 69 -6.363 -13.365 -7.757 521 HG SER 69 HG SER 69 -8.044 -12.144 -8.556 522 H ARG 70 H ARG 70 -4.253 -12.929 -11.195 523 HA ARG 70 HA ARG 70 -3.342 -10.382 -12.154 524 1HB ARG 70 1HB ARG 70 -2.839 -12.494 -13.307 525 2HB ARG 70 2HB ARG 70 -4.551 -12.727 -13.695 526 1HG ARG 70 1HG ARG 70 -4.549 -10.725 -15.109 527 2HG ARG 70 2HG ARG 70 -2.882 -10.345 -14.636 528 1HD ARG 70 1HD ARG 70 -2.080 -12.393 -15.714 529 2HD ARG 70 2HD ARG 70 -3.745 -12.873 -16.099 530 HE ARG 70 HE ARG 70 -3.428 -10.331 -17.231 531 1HH1 ARG 70 1HH2 ARG 70 -1.847 -13.497 -17.674 532 2HH1 ARG 70 2HH2 ARG 70 -1.570 -13.249 -19.358 533 1HH2 ARG 70 1HH1 ARG 70 -3.137 -10.038 -19.327 534 2HH2 ARG 70 2HH1 ARG 70 -2.320 -11.188 -20.370 535 H ARG 71 H ARG 71 -6.605 -11.884 -12.022 536 HA ARG 71 HA ARG 71 -8.002 -9.849 -13.405 537 1HB ARG 71 1HB ARG 71 -8.895 -11.628 -11.090 538 2HB ARG 71 2HB ARG 71 -9.973 -10.598 -12.039 539 1HG ARG 71 1HG ARG 71 -9.355 -11.822 -14.107 540 2HG ARG 71 2HG ARG 71 -8.295 -12.888 -13.160 541 1HD ARG 71 1HD ARG 71 -10.239 -13.637 -11.821 542 2HD ARG 71 2HD ARG 71 -11.301 -12.576 -12.770 543 HE ARG 71 HE ARG 71 -9.896 -14.245 -14.568 544 1HH1 ARG 71 1HH1 ARG 71 -12.391 -14.559 -12.061 545 2HH1 ARG 71 2HH1 ARG 71 -13.132 -15.946 -12.770 546 1HH2 ARG 71 1HH2 ARG 71 -10.881 -16.096 -15.515 547 2HH2 ARG 71 2HH2 ARG 71 -12.250 -16.836 -14.778 548 H LEU 72 H LEU 72 -7.256 -10.072 -9.842 549 HA LEU 72 HA LEU 72 -8.446 -7.529 -9.279 550 1HB LEU 72 1HB LEU 72 -6.392 -9.244 -7.890 551 2HB LEU 72 2HB LEU 72 -6.613 -7.577 -7.364 552 HG LEU 72 HG LEU 72 -8.983 -9.445 -7.604 553 1HD1 LEU 72 1HD1 LEU 72 -8.741 -9.900 -5.176 554 2HD1 LEU 72 2HD1 LEU 72 -7.356 -10.511 -6.086 555 3HD1 LEU 72 3HD1 LEU 72 -7.205 -9.003 -5.155 556 1HD2 LEU 72 1HD2 LEU 72 -9.977 -7.916 -5.935 557 2HD2 LEU 72 2HD2 LEU 72 -8.502 -6.929 -5.950 558 3HD2 LEU 72 3HD2 LEU 72 -9.523 -7.054 -7.405 559 H CYS 73 H CYS 73 -5.050 -8.416 -10.161 560 HA CYS 73 HA CYS 73 -3.936 -5.894 -9.813 561 1HB CYS 73 1HB CYS 73 -2.807 -8.122 -10.404 562 2HB CYS 73 2HB CYS 73 -3.205 -7.779 -12.098 563 HG CYS 73 HG CYS 73 -1.992 -5.432 -12.164 564 H ARG 74 H ARG 74 -5.342 -7.196 -12.915 565 HA ARG 74 HA ARG 74 -5.083 -4.631 -14.177 566 1HB ARG 74 1HB ARG 74 -6.013 -5.656 -16.102 567 2HB ARG 74 2HB ARG 74 -4.972 -6.839 -15.319 568 1HG ARG 74 1HG ARG 74 -7.211 -7.693 -14.213 569 2HG ARG 74 2HG ARG 74 -8.000 -6.780 -15.496 570 1HD ARG 74 1HD ARG 74 -6.031 -9.088 -15.756 571 2HD ARG 74 2HD ARG 74 -7.740 -9.120 -16.175 572 HE ARG 74 HE ARG 74 -5.502 -8.192 -17.768 573 1HH1 ARG 74 1HH2 ARG 74 -9.044 -7.970 -17.445 574 2HH1 ARG 74 2HH2 ARG 74 -9.269 -7.286 -19.011 575 1HH2 ARG 74 1HH1 ARG 74 -5.770 -7.128 -19.698 576 2HH2 ARG 74 2HH1 ARG 74 -7.354 -6.859 -20.382 577 H ASN 75 H ASN 75 -7.501 -5.729 -11.967 578 HA ASN 75 HA ASN 75 -9.708 -4.236 -12.999 579 1HB ASN 75 1HB ASN 75 -9.999 -6.055 -11.370 580 2HB ASN 75 2HB ASN 75 -9.107 -5.135 -10.158 581 1HD2 ASN 75 2HD2 ASN 75 -10.319 -3.889 -8.766 582 2HD2 ASN 75 1HD2 ASN 75 -11.976 -3.421 -9.058 583 H TYR 76 H TYR 76 -6.803 -3.214 -11.297 584 HA TYR 76 HA TYR 76 -8.050 -0.530 -10.825 585 1HB TYR 76 1HB TYR 76 -5.680 -1.721 -9.368 586 2HB TYR 76 2HB TYR 76 -6.399 -0.136 -9.097 587 HD1 TYR 76 HD1 TYR 76 -8.186 0.147 -7.536 588 HD2 TYR 76 HD2 TYR 76 -7.102 -3.781 -8.851 589 HE1 TYR 76 HE1 TYR 76 -9.811 -0.818 -5.956 590 HE2 TYR 76 HE2 TYR 76 -8.667 -4.791 -7.236 591 HH TYR 76 HH TYR 76 -10.295 -4.380 -5.613 592 H ASP 77 H ASP 77 -6.307 1.286 -11.063 593 HA ASP 77 HA ASP 77 -5.255 0.862 -13.799 594 1HB ASP 77 1HB ASP 77 -6.714 2.786 -13.343 595 2HB ASP 77 2HB ASP 77 -5.580 3.371 -12.118 596 H LEU 78 H LEU 78 -4.034 1.300 -10.532 597 HA LEU 78 HA LEU 78 -1.228 1.405 -11.459 598 1HB LEU 78 1HB LEU 78 -2.408 3.740 -11.181 599 2HB LEU 78 2HB LEU 78 -2.414 3.391 -9.468 600 HG LEU 78 HG LEU 78 -0.647 4.894 -10.112 601 1HD1 LEU 78 1HD1 LEU 78 1.157 4.039 -8.922 602 2HD1 LEU 78 2HD1 LEU 78 -0.251 3.225 -8.245 603 3HD1 LEU 78 3HD1 LEU 78 0.827 2.364 -9.376 604 1HD2 LEU 78 1HD2 LEU 78 1.139 4.399 -11.603 605 2HD2 LEU 78 2HD2 LEU 78 0.628 2.706 -11.788 606 3HD2 LEU 78 3HD2 LEU 78 -0.362 4.032 -12.447 607 H ILE 79 H ILE 79 0.121 0.393 -9.870 608 HA ILE 79 HA ILE 79 -1.316 -0.749 -7.516 609 HB ILE 79 HB ILE 79 0.688 -2.194 -9.275 610 1HG1 ILE 79 1HG1 ILE 79 -1.326 -1.880 -10.611 611 2HG1 ILE 79 2HG1 ILE 79 -1.028 -3.556 -10.229 612 1HG2 ILE 79 1HG2 ILE 79 -1.088 -3.177 -7.011 613 2HG2 ILE 79 2HG2 ILE 79 -0.103 -4.225 -8.055 614 3HG2 ILE 79 3HG2 ILE 79 0.678 -3.044 -6.997 615 1HD1 ILE 79 1HD1 ILE 79 -3.042 -1.845 -8.718 616 2HD1 ILE 79 2HD1 ILE 79 -3.435 -2.857 -10.107 617 3HD1 ILE 79 3HD1 ILE 79 -2.835 -3.612 -8.623 618 H LEU 80 H LEU 80 -0.130 -0.575 -5.628 619 HA LEU 80 HA LEU 80 2.760 0.155 -5.902 620 1HB LEU 80 1HB LEU 80 0.930 0.923 -3.606 621 2HB LEU 80 2HB LEU 80 2.670 1.146 -3.710 622 HG LEU 80 HG LEU 80 1.802 3.248 -4.045 623 1HD1 LEU 80 1HD1 LEU 80 2.370 2.270 -6.867 624 2HD1 LEU 80 2HD1 LEU 80 2.495 3.925 -6.259 625 3HD1 LEU 80 3HD1 LEU 80 3.599 2.679 -5.647 626 1HD2 LEU 80 1HD2 LEU 80 -0.118 2.210 -6.154 627 2HD2 LEU 80 2HD2 LEU 80 -0.531 2.662 -4.490 628 3HD2 LEU 80 3HD2 LEU 80 0.069 3.889 -5.616 629 H THR 81 H THR 81 4.166 -0.815 -4.419 630 HA THR 81 HA THR 81 3.095 -2.765 -2.537 631 HB THR 81 HB THR 81 3.295 -4.044 -4.639 632 HG1 THR 81 1HG THR 81 3.570 -5.048 -2.725 633 1HG2 THR 81 1HG2 THR 81 6.288 -3.510 -4.476 634 2HG2 THR 81 2HG2 THR 81 5.431 -4.552 -5.638 635 3HG2 THR 81 3HG2 THR 81 5.189 -2.801 -5.682 636 H MET 82 H MET 82 5.203 -3.693 -1.263 637 HA MET 82 HA MET 82 6.489 -1.143 -0.453 638 1HB MET 82 1HB MET 82 5.481 -3.620 0.966 639 2HB MET 82 2HB MET 82 6.693 -2.597 1.718 640 1HG MET 82 1HG MET 82 4.417 -1.988 2.425 641 2HG MET 82 2HG MET 82 5.279 -0.672 1.652 642 1HE MET 82 1HE MET 82 2.315 -0.265 2.250 643 2HE MET 82 2HE MET 82 3.313 0.882 1.315 644 3HE MET 82 3HE MET 82 1.735 0.382 0.696 645 H GLU 83 H GLU 83 7.380 -4.146 -1.912 646 HA GLU 83 HA GLU 83 10.245 -3.545 -1.360 647 1HB GLU 83 1HB GLU 83 8.860 -6.251 -1.044 648 2HB GLU 83 2HB GLU 83 10.608 -6.043 -1.154 649 1HG GLU 83 1HG GLU 83 10.682 -4.794 0.917 650 2HG GLU 83 2HG GLU 83 8.922 -4.724 1.006 651 H LYS 84 H LYS 84 11.596 -4.155 -3.132 652 HA LYS 84 HA LYS 84 10.234 -4.095 -5.673 653 1HB LYS 84 1HB LYS 84 13.181 -4.526 -5.030 654 2HB LYS 84 2HB LYS 84 12.503 -4.313 -6.649 655 1HG LYS 84 1HG LYS 84 11.545 -2.093 -5.879 656 2HG LYS 84 2HG LYS 84 12.462 -2.275 -4.377 657 1HD LYS 84 1HD LYS 84 14.575 -2.309 -5.627 658 2HD LYS 84 2HD LYS 84 13.690 -2.293 -7.169 659 1HE LYS 84 1HE LYS 84 12.673 -0.092 -6.522 660 2HE LYS 84 2HE LYS 84 13.684 -0.077 -5.069 661 1HZ LYS 84 1HZ LYS 84 14.734 -0.147 -7.839 662 2HZ LYS 84 2HZ LYS 84 14.609 1.205 -6.938 663 3HZ LYS 84 3HZ LYS 84 15.629 0.001 -6.477 664 H ARG 85 H ARG 85 11.280 -6.816 -3.663 665 HA ARG 85 HA ARG 85 11.387 -8.809 -5.699 666 1HB ARG 85 1HB ARG 85 10.021 -9.426 -3.082 667 2HB ARG 85 2HB ARG 85 11.121 -10.418 -4.016 668 1HG ARG 85 1HG ARG 85 11.826 -8.049 -2.252 669 2HG ARG 85 2HG ARG 85 12.001 -9.736 -1.824 670 1HD ARG 85 1HD ARG 85 13.792 -10.096 -3.369 671 2HD ARG 85 2HD ARG 85 13.527 -8.548 -4.173 672 HE ARG 85 HE ARG 85 14.852 -9.035 -1.585 673 1HH1 ARG 85 1HH2 ARG 85 13.823 -6.586 -3.907 674 2HH1 ARG 85 2HH2 ARG 85 13.796 -5.284 -2.728 675 1HH2 ARG 85 1HH1 ARG 85 15.249 -7.182 -0.157 676 2HH2 ARG 85 2HH1 ARG 85 14.833 -5.580 -0.713 677 H HIS 86 H HIS 86 8.677 -7.207 -4.035 678 HA HIS 86 HA HIS 86 6.665 -9.040 -5.028 679 1HB HIS 86 1HB HIS 86 6.403 -6.236 -3.913 680 2HB HIS 86 2HB HIS 86 5.095 -7.396 -4.105 681 HD1 HIS 86 HD1 HIS 86 7.125 -9.792 -2.660 682 HD2 HIS 86 HD2 HIS 86 5.779 -6.046 -1.305 683 HE1 HIS 86 HE1 HIS 86 7.231 -9.862 -0.121 684 H ILE 87 H ILE 87 8.012 -5.855 -6.091 685 HA ILE 87 HA ILE 87 6.185 -5.385 -8.205 686 HB ILE 87 HB ILE 87 9.176 -4.776 -8.179 687 1HG1 ILE 87 1HG1 ILE 87 6.852 -3.013 -7.298 688 2HG1 ILE 87 2HG1 ILE 87 8.007 -3.795 -6.213 689 1HG2 ILE 87 1HG2 ILE 87 6.948 -3.464 -9.793 690 2HG2 ILE 87 2HG2 ILE 87 8.672 -3.055 -9.849 691 3HG2 ILE 87 3HG2 ILE 87 8.134 -4.612 -10.444 692 1HD1 ILE 87 1HD1 ILE 87 8.522 -1.518 -8.138 693 2HD1 ILE 87 2HD1 ILE 87 8.729 -1.576 -6.381 694 3HD1 ILE 87 3HD1 ILE 87 9.839 -2.481 -7.429 695 H GLU 88 H GLU 88 9.243 -7.322 -8.095 696 HA GLU 88 HA GLU 88 9.148 -8.064 -10.826 697 1HB GLU 88 1HB GLU 88 11.131 -8.234 -9.344 698 2HB GLU 88 2HB GLU 88 10.381 -9.590 -8.489 699 1HG GLU 88 1HG GLU 88 10.356 -10.917 -10.575 700 2HG GLU 88 2HG GLU 88 11.012 -9.545 -11.472 701 H ARG 89 H ARG 89 7.899 -9.826 -7.915 702 HA ARG 89 HA ARG 89 6.887 -12.049 -9.391 703 1HB ARG 89 1HB ARG 89 6.067 -10.867 -6.700 704 2HB ARG 89 2HB ARG 89 5.406 -12.371 -7.359 705 1HG ARG 89 1HG ARG 89 7.669 -13.365 -7.461 706 2HG ARG 89 2HG ARG 89 8.373 -11.874 -6.841 707 1HD ARG 89 1HD ARG 89 8.219 -13.407 -5.004 708 2HD ARG 89 2HD ARG 89 7.043 -12.127 -4.744 709 HE ARG 89 HE ARG 89 5.315 -13.633 -4.944 710 1HH1 ARG 89 1HH1 ARG 89 8.301 -15.256 -5.974 711 2HH1 ARG 89 2HH1 ARG 89 7.590 -16.824 -6.043 712 1HH2 ARG 89 2HH2 ARG 89 4.364 -15.727 -5.048 713 2HH2 ARG 89 1HH2 ARG 89 5.309 -17.091 -5.499 714 H LEU 90 H LEU 90 5.338 -8.901 -8.570 715 HA LEU 90 HA LEU 90 2.790 -9.724 -9.630 716 1HB LEU 90 1HB LEU 90 4.009 -7.022 -8.991 717 2HB LEU 90 2HB LEU 90 2.375 -7.183 -9.639 718 HG LEU 90 HG LEU 90 3.235 -8.610 -7.090 719 1HD1 LEU 90 1HD1 LEU 90 2.142 -6.832 -5.834 720 2HD1 LEU 90 2HD1 LEU 90 3.492 -6.185 -6.761 721 3HD1 LEU 90 3HD1 LEU 90 1.826 -5.924 -7.333 722 1HD2 LEU 90 1HD2 LEU 90 0.472 -7.928 -8.127 723 2HD2 LEU 90 2HD2 LEU 90 1.229 -9.532 -8.233 724 3HD2 LEU 90 3HD2 LEU 90 0.913 -8.842 -6.656 725 H CYS 91 H CYS 91 5.651 -8.139 -11.123 726 HA CYS 91 HA CYS 91 4.358 -7.645 -13.646 727 1HB CYS 91 1HB CYS 91 7.286 -8.180 -12.968 728 2HB CYS 91 2HB CYS 91 6.683 -7.652 -14.548 729 HG CYS 91 HG CYS 91 6.419 -6.172 -11.608 730 H GLU 92 H GLU 92 6.020 -10.563 -12.281 731 HA GLU 92 HA GLU 92 5.721 -12.085 -14.682 732 1HB GLU 92 1HB GLU 92 6.079 -12.896 -11.772 733 2HB GLU 92 2HB GLU 92 5.997 -14.063 -13.085 734 1HG GLU 92 1HG GLU 92 8.056 -11.819 -12.921 735 2HG GLU 92 2HG GLU 92 8.320 -13.467 -12.371 736 H MET 93 H MET 93 3.555 -11.667 -11.815 737 HA MET 93 HA MET 93 1.610 -13.566 -12.707 738 1HB MET 93 1HB MET 93 1.406 -11.166 -10.844 739 2HB MET 93 2HB MET 93 0.057 -12.247 -11.191 740 1HG MET 93 1HG MET 93 1.388 -14.183 -10.381 741 2HG MET 93 2HG MET 93 2.707 -13.094 -9.974 742 1HE MET 93 1HE MET 93 -0.799 -14.449 -9.150 743 2HE MET 93 2HE MET 93 -1.341 -13.488 -7.763 744 3HE MET 93 3HE MET 93 -1.304 -12.757 -9.379 745 H ALA 94 H ALA 94 2.023 -10.079 -13.440 746 HA ALA 94 HA ALA 94 -0.179 -10.316 -15.451 747 1HB ALA 94 1HB ALA 94 0.200 -8.060 -13.434 748 2HB ALA 94 2HB ALA 94 -1.012 -8.118 -14.733 749 3HB ALA 94 3HB ALA 94 -1.085 -9.283 -13.396 750 HA PRO 95 HA PRO 95 3.860 -8.741 -17.179 751 1HB PRO 95 1HB PRO 95 2.721 -10.140 -19.591 752 2HB PRO 95 2HB PRO 95 4.415 -10.081 -19.007 753 1HG PRO 95 1HG PRO 95 2.891 -12.290 -18.586 754 2HG PRO 95 2HG PRO 95 3.958 -11.665 -17.285 755 1HD PRO 95 1HD PRO 95 0.976 -11.260 -17.621 756 2HD PRO 95 2HD PRO 95 1.909 -11.677 -16.157 757 H GLU 96 H GLU 96 0.534 -8.641 -18.517 758 HA GLU 96 HA GLU 96 0.915 -6.539 -20.357 759 1HB GLU 96 1HB GLU 96 -1.481 -6.335 -20.335 760 2HB GLU 96 2HB GLU 96 -1.064 -8.045 -20.224 761 1HG GLU 96 1HG GLU 96 -1.467 -7.969 -17.753 762 2HG GLU 96 2HG GLU 96 -1.931 -6.271 -17.888 763 H MET 97 H MET 97 1.063 -6.398 -16.918 764 HA MET 97 HA MET 97 0.484 -3.486 -16.861 765 1HB MET 97 1HB MET 97 -1.218 -5.099 -15.878 766 2HB MET 97 2HB MET 97 -0.011 -5.534 -14.656 767 1HG MET 97 1HG MET 97 -0.002 -3.315 -13.782 768 2HG MET 97 2HG MET 97 -0.855 -2.676 -15.202 769 1HE MET 97 1HE MET 97 -1.633 -1.558 -12.785 770 2HE MET 97 2HE MET 97 -2.876 -1.377 -14.035 771 3HE MET 97 3HE MET 97 -3.328 -1.900 -12.394 772 H ARG 98 H ARG 98 3.074 -5.393 -16.998 773 HA ARG 98 HA ARG 98 4.638 -4.727 -14.728 774 1HB ARG 98 1HB ARG 98 6.556 -5.248 -16.087 775 2HB ARG 98 2HB ARG 98 5.262 -6.384 -16.461 776 1HG ARG 98 1HG ARG 98 4.735 -4.823 -18.489 777 2HG ARG 98 2HG ARG 98 6.304 -4.077 -18.147 778 1HD ARG 98 1HD ARG 98 7.365 -6.347 -18.312 779 2HD ARG 98 2HD ARG 98 5.803 -7.024 -18.779 780 HE ARG 98 HE ARG 98 7.660 -5.480 -20.387 781 1HH1 ARG 98 1HH2 ARG 98 4.216 -6.383 -20.141 782 2HH1 ARG 98 2HH2 ARG 98 3.919 -6.174 -21.833 783 1HH2 ARG 98 1HH1 ARG 98 7.232 -5.184 -22.613 784 2HH2 ARG 98 2HH1 ARG 98 5.661 -5.465 -23.256 785 H GLY 99 H GLY 99 5.764 -2.888 -14.139 786 1HA GLY 99 1HA GLY 99 6.665 -0.747 -14.383 787 2HA GLY 99 2HA GLY 99 5.830 -0.540 -15.922 788 H LYS 100 H LYS 100 3.124 -1.378 -14.723 789 HA LYS 100 HA LYS 100 2.419 1.179 -13.440 790 1HB LYS 100 1HB LYS 100 0.878 -1.369 -14.028 791 2HB LYS 100 2HB LYS 100 0.174 -0.052 -13.120 792 1HG LYS 100 1HG LYS 100 1.176 0.202 -15.986 793 2HG LYS 100 2HG LYS 100 -0.493 -0.091 -15.486 794 1HD LYS 100 1HD LYS 100 -0.252 2.078 -14.050 795 2HD LYS 100 2HD LYS 100 1.200 2.387 -15.003 796 1HE LYS 100 1HE LYS 100 -0.615 3.604 -15.978 797 2HE LYS 100 2HE LYS 100 -0.197 2.295 -17.091 798 1HZ LYS 100 1HZ LYS 100 -2.408 2.103 -15.121 799 2HZ LYS 100 2HZ LYS 100 -2.633 2.639 -16.652 800 3HZ LYS 100 3HZ LYS 100 -2.128 1.108 -16.391 801 H VAL 101 H VAL 101 3.731 -1.814 -12.352 802 HA VAL 101 HA VAL 101 2.711 -1.465 -9.610 803 HB VAL 101 HB VAL 101 4.750 -3.475 -10.632 804 1HG1 VAL 101 1HG1 VAL 101 2.905 -3.465 -8.193 805 2HG1 VAL 101 2HG1 VAL 101 4.053 -4.742 -8.631 806 3HG1 VAL 101 3HG1 VAL 101 4.651 -3.147 -8.170 807 1HG2 VAL 101 1HG2 VAL 101 2.694 -3.864 -11.938 808 2HG2 VAL 101 2HG2 VAL 101 2.949 -5.141 -10.760 809 3HG2 VAL 101 3HG2 VAL 101 1.733 -3.889 -10.444 810 H MET 102 H MET 102 3.925 -0.301 -8.078 811 HA MET 102 HA MET 102 6.779 0.310 -8.691 812 1HB MET 102 1HB MET 102 4.565 2.361 -8.261 813 2HB MET 102 2HB MET 102 6.286 2.734 -8.122 814 1HG MET 102 1HG MET 102 6.645 1.940 -10.444 815 2HG MET 102 2HG MET 102 4.908 1.694 -10.620 816 1HE MET 102 1HE MET 102 3.388 5.208 -10.723 817 2HE MET 102 2HE MET 102 3.163 3.459 -10.967 818 3HE MET 102 3HE MET 102 3.467 4.096 -9.339 819 H LEU 103 H LEU 103 7.949 1.216 -6.879 820 HA LEU 103 HA LEU 103 7.262 -0.072 -4.406 821 1HB LEU 103 1HB LEU 103 9.611 0.345 -5.386 822 2HB LEU 103 2HB LEU 103 9.401 2.037 -4.954 823 HG LEU 103 HG LEU 103 9.078 1.277 -2.531 824 1HD1 LEU 103 1HD1 LEU 103 8.486 -1.086 -2.912 825 2HD1 LEU 103 2HD1 LEU 103 10.050 -1.375 -3.702 826 3HD1 LEU 103 3HD1 LEU 103 9.979 -0.985 -1.975 827 1HD2 LEU 103 1HD2 LEU 103 11.199 2.207 -3.359 828 2HD2 LEU 103 2HD2 LEU 103 11.487 0.941 -2.158 829 3HD2 LEU 103 3HD2 LEU 103 11.720 0.589 -3.882 830 H PHE 104 H PHE 104 6.147 0.790 -2.660 831 HA PHE 104 HA PHE 104 4.842 3.254 -2.828 832 1HB PHE 104 1HB PHE 104 4.440 1.166 -1.299 833 2HB PHE 104 2HB PHE 104 5.493 1.981 -0.151 834 HD1 PHE 104 HD1 PHE 104 2.225 1.865 -1.733 835 HD2 PHE 104 HD2 PHE 104 4.766 4.256 0.780 836 HE1 PHE 104 HE1 PHE 104 0.323 3.349 -1.255 837 HE2 PHE 104 HE2 PHE 104 2.816 5.699 1.353 838 HZ PHE 104 HZ PHE 104 0.603 5.279 0.281 839 H GLY 105 H GLY 105 7.965 2.489 -1.223 840 1HA GLY 105 1HA GLY 105 8.215 5.207 -0.150 841 2HA GLY 105 2HA GLY 105 9.341 3.869 0.059 842 H HIS 106 H HIS 106 8.275 4.644 -3.206 843 HA HIS 106 HA HIS 106 10.786 4.819 -4.335 844 1HB HIS 106 1HB HIS 106 8.882 4.462 -5.671 845 2HB HIS 106 2HB HIS 106 8.103 5.953 -5.130 846 HD1 HIS 106 HD1 HIS 106 11.151 4.926 -7.335 847 HD2 HIS 106 HD2 HIS 106 8.398 8.036 -6.639 848 HE1 HIS 106 HE1 HIS 106 11.579 6.674 -9.133 849 H TRP 107 H TRP 107 8.770 7.626 -3.242 850 HA TRP 107 HA TRP 107 10.617 9.586 -4.118 851 1HB TRP 107 1HB TRP 107 8.711 9.902 -1.796 852 2HB TRP 107 2HB TRP 107 9.237 11.132 -2.940 853 HD1 TRP 107 HD1 TRP 107 6.542 8.692 -2.229 854 HE1 TRP 107 HE1 TRP 107 4.850 8.550 -4.101 855 HE3 TRP 107 HE3 TRP 107 9.087 11.340 -5.816 856 HZ2 TRP 107 HZ2 TRP 107 4.574 9.502 -6.835 857 HZ3 TRP 107 HZ3 TRP 107 8.061 11.715 -8.045 858 HH2 TRP 107 HH2 TRP 107 5.785 10.817 -8.548 859 H ASP 108 H ASP 108 10.618 7.567 -1.249 860 HA ASP 108 HA ASP 108 12.331 9.435 0.266 861 1HB ASP 108 1HB ASP 108 10.361 8.213 1.308 862 2HB ASP 108 2HB ASP 108 11.281 6.719 1.153 863 H ASN 109 H ASN 109 13.656 9.005 -1.856 864 HA ASN 109 HA ASN 109 15.336 8.004 -2.975 865 1HB ASN 109 1HB ASN 109 16.462 9.045 -0.995 866 2HB ASN 109 2HB ASN 109 16.461 7.464 -0.205 867 1HD2 ASN 109 2HD2 ASN 109 17.353 8.868 -3.447 868 2HD2 ASN 109 1HD2 ASN 109 18.861 8.004 -3.572 869 H GLU 110 H GLU 110 13.217 6.324 -2.945 870 HA GLU 110 HA GLU 110 12.522 4.206 -3.189 871 1HB GLU 110 1HB GLU 110 15.366 3.863 -4.205 872 2HB GLU 110 2HB GLU 110 14.039 2.721 -4.477 873 1HG GLU 110 1HG GLU 110 12.724 4.446 -5.604 874 2HG GLU 110 2HG GLU 110 14.006 5.633 -5.339 875 H CYS 111 H CYS 111 13.152 4.708 -0.531 876 HA CYS 111 HA CYS 111 14.485 2.395 0.625 877 1HB CYS 111 1HB CYS 111 12.637 4.560 1.661 878 2HB CYS 111 2HB CYS 111 13.120 3.174 2.672 879 HG CYS 111 HG CYS 111 14.863 5.536 1.239 880 H GLU 112 H GLU 112 13.683 0.363 0.611 881 HA GLU 112 HA GLU 112 10.925 -0.277 0.025 882 1HB GLU 112 1HB GLU 112 13.083 -1.979 1.360 883 2HB GLU 112 2HB GLU 112 11.575 -2.551 0.631 884 1HG GLU 112 1HG GLU 112 12.372 -1.590 -1.576 885 2HG GLU 112 2HG GLU 112 13.933 -1.259 -0.818 886 H ILE 113 H ILE 113 9.259 -0.711 1.523 887 HA ILE 113 HA ILE 113 9.568 0.678 4.075 888 HB ILE 113 HB ILE 113 7.208 -0.904 3.030 889 1HG1 ILE 113 1HG1 ILE 113 7.693 0.808 1.357 890 2HG1 ILE 113 2HG1 ILE 113 6.215 1.167 2.213 891 1HG2 ILE 113 1HG2 ILE 113 5.863 0.481 4.552 892 2HG2 ILE 113 2HG2 ILE 113 7.051 -0.480 5.417 893 3HG2 ILE 113 3HG2 ILE 113 7.337 1.255 5.169 894 1HD1 ILE 113 1HD1 ILE 113 8.872 2.538 2.758 895 2HD1 ILE 113 2HD1 ILE 113 7.522 3.186 1.806 896 3HD1 ILE 113 3HD1 ILE 113 7.302 2.899 3.532 897 HA PRO 114 HA PRO 114 10.688 -3.151 6.251 898 1HB PRO 114 1HB PRO 114 9.346 -1.901 8.622 899 2HB PRO 114 2HB PRO 114 10.974 -2.617 8.492 900 1HG PRO 114 1HG PRO 114 10.617 0.091 8.546 901 2HG PRO 114 2HG PRO 114 11.862 -0.667 7.502 902 1HD PRO 114 1HD PRO 114 9.129 0.356 6.722 903 2HD PRO 114 2HD PRO 114 10.695 0.509 5.869 904 H ASP 115 H ASP 115 9.543 -4.752 7.828 905 HA ASP 115 HA ASP 115 6.759 -5.231 6.858 906 1HB ASP 115 1HB ASP 115 8.378 -6.645 5.719 907 2HB ASP 115 2HB ASP 115 9.043 -7.184 7.256 908 HA PRO 116 HA PRO 116 6.769 -5.061 11.416 909 1HB PRO 116 1HB PRO 116 4.385 -3.881 11.886 910 2HB PRO 116 2HB PRO 116 5.730 -2.974 11.140 911 1HG PRO 116 1HG PRO 116 3.401 -4.336 9.744 912 2HG PRO 116 2HG PRO 116 3.991 -2.662 9.518 913 1HD PRO 116 1HD PRO 116 4.743 -4.785 7.920 914 2HD PRO 116 2HD PRO 116 5.828 -3.403 8.224 915 H TYR 117 H TYR 117 5.011 -7.057 9.367 916 HA TYR 117 HA TYR 117 2.756 -7.950 10.231 917 1HB TYR 117 1HB TYR 117 4.016 -8.781 8.338 918 2HB TYR 117 2HB TYR 117 5.139 -9.623 9.396 919 HD1 TYR 117 HD1 TYR 117 4.813 -11.888 9.809 920 HD2 TYR 117 HD2 TYR 117 1.474 -9.467 8.571 921 HE1 TYR 117 HE1 TYR 117 3.428 -13.931 9.615 922 HE2 TYR 117 HE2 TYR 117 0.063 -11.513 8.366 923 HH TYR 117 HH TYR 117 1.336 -14.802 9.056 924 H ARG 118 H ARG 118 5.728 -9.186 11.921 925 HA ARG 118 HA ARG 118 3.964 -9.840 14.242 926 1HB ARG 118 1HB ARG 118 6.019 -11.684 12.955 927 2HB ARG 118 2HB ARG 118 5.442 -11.905 14.612 928 1HG ARG 118 1HG ARG 118 3.134 -12.133 13.866 929 2HG ARG 118 2HG ARG 118 3.616 -11.873 12.184 930 1HD ARG 118 1HD ARG 118 5.032 -13.892 12.256 931 2HD ARG 118 2HD ARG 118 4.561 -14.165 13.949 932 HE ARG 118 HE ARG 118 2.179 -13.962 12.505 933 1HH1 ARG 118 1HH1 ARG 118 4.979 -16.143 12.529 934 2HH1 ARG 118 2HH1 ARG 118 4.099 -17.516 11.970 935 1HH2 ARG 118 1HH2 ARG 118 0.995 -15.795 11.777 936 2HH2 ARG 118 2HH2 ARG 118 1.781 -17.307 11.533 937 H LYS 119 H LYS 119 5.635 -7.517 13.622 938 HA LYS 119 HA LYS 119 7.930 -7.801 15.509 939 1HB LYS 119 1HB LYS 119 7.164 -5.532 13.632 940 2HB LYS 119 2HB LYS 119 8.650 -5.645 14.565 941 1HG LYS 119 1HG LYS 119 7.831 -7.472 12.269 942 2HG LYS 119 2HG LYS 119 9.029 -6.193 12.205 943 1HD LYS 119 1HD LYS 119 9.254 -8.743 13.858 944 2HD LYS 119 2HD LYS 119 10.060 -8.402 12.323 945 1HE LYS 119 1HE LYS 119 11.241 -6.470 13.363 946 2HE LYS 119 2HE LYS 119 10.482 -6.846 14.915 947 1HZ LYS 119 1HZ LYS 119 12.328 -8.638 13.443 948 2HZ LYS 119 2HZ LYS 119 12.701 -7.774 14.771 949 3HZ LYS 119 3HZ LYS 119 11.625 -8.991 14.877 950 H SER 120 H SER 120 8.211 -5.389 16.607 951 HA SER 120 HA SER 120 6.219 -5.392 18.685 952 1HB SER 120 1HB SER 120 7.584 -3.424 19.467 953 2HB SER 120 2HB SER 120 8.551 -4.864 19.115 954 HG SER 120 HG SER 120 9.513 -3.056 18.190 955 H ARG 121 H ARG 121 4.866 -3.521 19.322 956 HA ARG 121 HA ARG 121 3.442 -2.215 17.236 957 1HB ARG 121 1HB ARG 121 2.646 -2.527 19.600 958 2HB ARG 121 2HB ARG 121 3.793 -1.280 20.120 959 1HG ARG 121 1HG ARG 121 2.633 0.371 18.637 960 2HG ARG 121 2HG ARG 121 1.515 -0.900 18.121 961 1HD ARG 121 1HD ARG 121 0.745 -1.151 20.475 962 2HD ARG 121 2HD ARG 121 1.821 0.157 20.967 963 HE ARG 121 HE ARG 121 -0.740 0.338 19.607 964 1HH1 ARG 121 1HH2 ARG 121 2.268 2.164 20.304 965 2HH1 ARG 121 2HH2 ARG 121 1.491 3.699 19.956 966 1HH2 ARG 121 1HH1 ARG 121 -1.636 2.529 19.134 967 2HH2 ARG 121 2HH1 ARG 121 -0.543 3.871 19.382 968 H GLU 122 H GLU 122 6.461 -1.320 18.923 969 HA GLU 122 HA GLU 122 6.625 1.348 17.945 970 1HB GLU 122 1HB GLU 122 8.006 0.375 19.767 971 2HB GLU 122 2HB GLU 122 8.855 -0.631 18.586 972 1HG GLU 122 1HG GLU 122 9.716 1.391 17.456 973 2HG GLU 122 2HG GLU 122 8.781 2.420 18.545 974 H THR 123 H THR 123 7.391 -1.821 16.424 975 HA THR 123 HA THR 123 8.670 -0.589 14.114 976 HB THR 123 HB THR 123 7.484 -3.376 14.390 977 HG1 THR 123 1HG THR 123 9.042 -3.073 15.986 978 1HG2 THR 123 1HG2 THR 123 8.001 -2.799 12.062 979 2HG2 THR 123 2HG2 THR 123 9.599 -2.187 12.533 980 3HG2 THR 123 3HG2 THR 123 9.233 -3.917 12.664 981 H PHE 124 H PHE 124 5.299 -1.730 14.918 982 HA PHE 124 HA PHE 124 4.207 -1.122 12.340 983 1HB PHE 124 1HB PHE 124 2.979 -1.191 15.114 984 2HB PHE 124 2HB PHE 124 2.069 -0.680 13.709 985 HD1 PHE 124 HD1 PHE 124 3.721 -3.600 15.295 986 HD2 PHE 124 HD2 PHE 124 1.224 -2.220 12.068 987 HE1 PHE 124 HE1 PHE 124 3.090 -5.933 14.800 988 HE2 PHE 124 HE2 PHE 124 0.557 -4.570 11.614 989 HZ PHE 124 HZ PHE 124 1.499 -6.427 12.956 990 H ALA 125 H ALA 125 4.758 0.970 15.237 991 HA ALA 125 HA ALA 125 3.583 3.309 14.115 992 1HB ALA 125 1HB ALA 125 4.777 4.502 15.886 993 2HB ALA 125 2HB ALA 125 4.043 3.017 16.526 994 3HB ALA 125 3HB ALA 125 5.792 3.083 16.202 995 H ALA 126 H ALA 126 6.995 2.130 14.036 996 HA ALA 126 HA ALA 126 8.058 4.337 12.601 997 1HB ALA 126 1HB ALA 126 9.871 2.788 11.985 998 2HB ALA 126 2HB ALA 126 9.449 2.612 13.699 999 3HB ALA 126 3HB ALA 126 8.901 1.401 12.517 1000 H VAL 127 H VAL 127 6.640 1.235 11.391 1001 HA VAL 127 HA VAL 127 6.925 1.887 8.640 1002 HB VAL 127 HB VAL 127 5.120 -0.038 10.150 1003 1HG1 VAL 127 1HG1 VAL 127 4.744 -1.139 7.895 1004 2HG1 VAL 127 2HG1 VAL 127 3.895 0.393 8.110 1005 3HG1 VAL 127 3HG1 VAL 127 5.378 0.332 7.135 1006 1HG2 VAL 127 1HG2 VAL 127 7.519 -0.465 8.312 1007 2HG2 VAL 127 2HG2 VAL 127 7.621 -0.444 10.083 1008 3HG2 VAL 127 3HG2 VAL 127 6.691 -1.700 9.277 1009 H TYR 128 H TYR 128 4.142 2.513 10.905 1010 HA TYR 128 HA TYR 128 2.461 3.685 8.968 1011 1HB TYR 128 1HB TYR 128 1.804 3.108 11.296 1012 2HB TYR 128 2HB TYR 128 2.755 4.457 11.903 1013 HD1 TYR 128 HD1 TYR 128 -0.478 3.429 10.748 1014 HD2 TYR 128 HD2 TYR 128 2.128 6.862 11.000 1015 HE1 TYR 128 HE1 TYR 128 -2.409 4.933 10.358 1016 HE2 TYR 128 HE2 TYR 128 0.240 8.354 10.537 1017 HH TYR 128 HH TYR 128 -2.073 8.502 10.180 1018 H THR 129 H THR 129 5.044 5.208 10.997 1019 HA THR 129 HA THR 129 4.585 7.841 10.038 1020 HB THR 129 HB THR 129 7.177 6.616 11.088 1021 HG1 THR 129 1HG THR 129 5.575 6.214 12.563 1022 1HG2 THR 129 1HG2 THR 129 6.126 9.485 11.147 1023 2HG2 THR 129 2HG2 THR 129 7.596 8.903 11.965 1024 3HG2 THR 129 3HG2 THR 129 7.507 8.892 10.198 1025 H LEU 130 H LEU 130 6.840 5.276 8.869 1026 HA LEU 130 HA LEU 130 8.029 6.878 6.836 1027 1HB LEU 130 1HB LEU 130 9.027 4.831 7.748 1028 2HB LEU 130 2HB LEU 130 7.709 3.863 7.085 1029 HG LEU 130 HG LEU 130 8.409 4.370 4.802 1030 1HD1 LEU 130 1HD1 LEU 130 10.563 5.557 4.360 1031 2HD1 LEU 130 2HD1 LEU 130 9.312 6.630 4.977 1032 3HD1 LEU 130 3HD1 LEU 130 10.608 6.066 6.062 1033 1HD2 LEU 130 1HD2 LEU 130 10.533 3.157 4.801 1034 2HD2 LEU 130 2HD2 LEU 130 10.743 3.491 6.538 1035 3HD2 LEU 130 3HD2 LEU 130 9.397 2.478 5.978 1036 H LEU 131 H LEU 131 5.188 4.677 6.814 1037 HA LEU 131 HA LEU 131 4.638 4.992 4.008 1038 1HB LEU 131 1HB LEU 131 2.922 4.160 6.384 1039 2HB LEU 131 2HB LEU 131 2.281 4.264 4.749 1040 HG LEU 131 HG LEU 131 4.621 2.473 5.531 1041 1HD1 LEU 131 1HD1 LEU 131 2.517 1.752 6.591 1042 2HD1 LEU 131 2HD1 LEU 131 1.698 1.774 5.009 1043 3HD1 LEU 131 3HD1 LEU 131 3.013 0.620 5.327 1044 1HD2 LEU 131 1HD2 LEU 131 4.751 3.022 3.172 1045 2HD2 LEU 131 2HD2 LEU 131 4.105 1.391 3.331 1046 3HD2 LEU 131 3HD2 LEU 131 3.010 2.740 2.960 1047 H GLU 132 H GLU 132 3.671 6.881 6.914 1048 HA GLU 132 HA GLU 132 1.759 8.473 5.560 1049 1HB GLU 132 1HB GLU 132 1.849 8.359 7.965 1050 2HB GLU 132 2HB GLU 132 3.453 9.076 8.018 1051 1HG GLU 132 1HG GLU 132 1.093 10.551 6.772 1052 2HG GLU 132 2HG GLU 132 1.368 10.568 8.513 1053 H ARG 133 H ARG 133 5.272 9.238 6.233 1054 HA ARG 133 HA ARG 133 5.178 11.552 4.600 1055 1HB ARG 133 1HB ARG 133 7.597 11.506 4.498 1056 2HB ARG 133 2HB ARG 133 7.002 11.251 6.140 1057 1HG ARG 133 1HG ARG 133 7.455 8.846 5.950 1058 2HG ARG 133 2HG ARG 133 8.049 9.042 4.297 1059 1HD ARG 133 1HD ARG 133 9.287 10.462 6.700 1060 2HD ARG 133 2HD ARG 133 9.785 8.865 6.157 1061 HE ARG 133 HE ARG 133 10.747 9.708 4.221 1062 1HH1 ARG 133 1HH2 ARG 133 9.442 12.425 6.134 1063 2HH1 ARG 133 2HH2 ARG 133 10.366 13.601 5.275 1064 1HH2 ARG 133 1HH1 ARG 133 11.923 11.140 3.203 1065 2HH2 ARG 133 2HH1 ARG 133 11.851 12.864 3.522 1066 H SER 134 H SER 134 5.725 8.144 3.624 1067 HA SER 134 HA SER 134 6.448 8.770 0.933 1068 1HB SER 134 1HB SER 134 5.058 6.291 2.024 1069 2HB SER 134 2HB SER 134 5.891 6.440 0.466 1070 HG SER 134 HG SER 134 6.985 6.522 3.089 1071 H ALA 135 H ALA 135 3.222 8.024 2.417 1072 HA ALA 135 HA ALA 135 1.727 8.336 0.027 1073 1HB ALA 135 1HB ALA 135 0.839 7.219 2.046 1074 2HB ALA 135 2HB ALA 135 0.875 8.765 2.926 1075 3HB ALA 135 3HB ALA 135 -0.214 8.553 1.539 1076 H ARG 136 H ARG 136 2.789 10.705 2.520 1077 HA ARG 136 HA ARG 136 1.374 12.959 1.512 1078 1HB ARG 136 1HB ARG 136 2.746 12.629 3.694 1079 2HB ARG 136 2HB ARG 136 4.172 12.991 2.721 1080 1HG ARG 136 1HG ARG 136 2.944 15.178 2.074 1081 2HG ARG 136 2HG ARG 136 1.823 14.792 3.373 1082 1HD ARG 136 1HD ARG 136 4.765 15.436 3.505 1083 2HD ARG 136 2HD ARG 136 3.417 16.241 4.336 1084 HE ARG 136 HE ARG 136 3.419 13.733 5.457 1085 1HH1 ARG 136 1HH1 ARG 136 5.912 16.250 5.075 1086 2HH1 ARG 136 2HH1 ARG 136 6.782 15.786 6.487 1087 1HH2 ARG 136 1HH2 ARG 136 4.548 13.128 7.314 1088 2HH2 ARG 136 2HH2 ARG 136 5.991 13.970 7.794 1089 H GLN 137 H GLN 137 4.616 11.590 0.656 1090 HA GLN 137 HA GLN 137 5.174 13.584 -1.300 1091 1HB GLN 137 1HB GLN 137 6.300 10.810 -0.804 1092 2HB GLN 137 2HB GLN 137 6.908 11.910 -2.054 1093 1HG GLN 137 1HG GLN 137 7.543 13.567 -0.476 1094 2HG GLN 137 2HG GLN 137 6.725 12.775 0.857 1095 1HE2 GLN 137 2HE2 GLN 137 9.717 13.449 -0.110 1096 2HE2 GLN 137 1HE2 GLN 137 10.570 12.030 0.457 1097 H TRP 138 H TRP 138 3.639 10.290 -1.643 1098 HA TRP 138 HA TRP 138 3.191 10.490 -4.424 1099 1HB TRP 138 1HB TRP 138 1.620 9.108 -2.226 1100 2HB TRP 138 2HB TRP 138 1.063 9.117 -3.888 1101 HD1 TRP 138 HD1 TRP 138 3.540 7.391 -1.654 1102 HE1 TRP 138 HE1 TRP 138 4.995 5.761 -2.934 1103 HE3 TRP 138 HE3 TRP 138 1.912 8.460 -6.390 1104 HZ2 TRP 138 HZ2 TRP 138 5.413 4.979 -5.709 1105 HZ3 TRP 138 HZ3 TRP 138 2.876 7.260 -8.337 1106 HH2 TRP 138 HH2 TRP 138 4.657 5.556 -8.005 1107 H ALA 139 H ALA 139 1.238 11.855 -1.708 1108 HA ALA 139 HA ALA 139 -0.769 12.938 -3.383 1109 1HB ALA 139 1HB ALA 139 -0.981 12.638 -0.932 1110 2HB ALA 139 2HB ALA 139 0.169 13.967 -0.669 1111 3HB ALA 139 3HB ALA 139 -1.385 14.289 -1.449 1112 H GLN 140 H GLN 140 2.306 14.436 -2.180 1113 HA GLN 140 HA GLN 140 1.936 16.955 -3.448 1114 1HB GLN 140 1HB GLN 140 4.479 15.373 -2.846 1115 2HB GLN 140 2HB GLN 140 4.494 16.988 -3.535 1116 1HG GLN 140 1HG GLN 140 3.381 16.233 -0.813 1117 2HG GLN 140 2HG GLN 140 4.896 17.070 -1.153 1118 1HE2 GLN 140 2HE2 GLN 140 4.552 19.186 -2.599 1119 2HE2 GLN 140 1HE2 GLN 140 3.218 20.195 -2.109 1120 H ALA 141 H ALA 141 3.322 13.879 -4.717 1121 HA ALA 141 HA ALA 141 4.145 14.965 -7.210 1122 1HB ALA 141 1HB ALA 141 3.310 12.112 -6.514 1123 2HB ALA 141 2HB ALA 141 4.210 12.626 -7.953 1124 3HB ALA 141 3HB ALA 141 4.937 12.808 -6.340 1125 H LEU 142 H LEU 142 1.170 13.109 -6.372 1126 HA LEU 142 HA LEU 142 -0.229 13.397 -8.785 1127 1HB LEU 142 1HB LEU 142 -1.166 13.324 -5.890 1128 2HB LEU 142 2HB LEU 142 -2.311 13.374 -7.221 1129 HG LEU 142 HG LEU 142 -0.189 11.198 -6.985 1130 1HD1 LEU 142 1HD1 LEU 142 -1.994 9.766 -6.073 1131 2HD1 LEU 142 2HD1 LEU 142 -1.612 11.118 -4.998 1132 3HD1 LEU 142 3HD1 LEU 142 -3.074 11.180 -6.002 1133 1HD2 LEU 142 1HD2 LEU 142 -1.773 9.974 -8.482 1134 2HD2 LEU 142 2HD2 LEU 142 -2.760 11.438 -8.617 1135 3HD2 LEU 142 3HD2 LEU 142 -1.098 11.414 -9.244 1136 H ASN 143 H ASN 143 -0.234 15.670 -5.997 1137 HA ASN 143 HA ASN 143 -1.999 17.568 -7.134 1138 1HB ASN 143 1HB ASN 143 -1.421 17.434 -4.731 1139 2HB ASN 143 2HB ASN 143 0.226 17.954 -5.093 1140 1HD2 ASN 143 2HD2 ASN 143 0.552 20.139 -4.698 1141 2HD2 ASN 143 1HD2 ASN 143 -0.677 21.367 -4.837 1142 H ALA 144 H ALA 144 1.347 16.946 -7.919 1143 HA ALA 144 HA ALA 144 1.462 19.453 -9.484 1144 1HB ALA 144 1HB ALA 144 2.914 19.508 -7.440 1145 2HB ALA 144 2HB ALA 144 3.747 18.051 -8.016 1146 3HB ALA 144 3HB ALA 144 3.863 19.571 -8.938 1147 H GLU 145 H GLU 145 0.573 16.766 -10.157 1148 HA GLU 145 HA GLU 145 1.872 16.628 -12.780 1149 1HB GLU 145 1HB GLU 145 2.827 14.884 -11.138 1150 2HB GLU 145 2HB GLU 145 1.205 14.192 -11.055 1151 1HG GLU 145 1HG GLU 145 2.495 12.908 -12.569 1152 2HG GLU 145 2HG GLU 145 1.327 13.806 -13.525 1153 H GLN 146 H GLN 146 -0.412 17.981 -11.808 1154 HA GLN 146 HA GLN 146 -2.827 16.563 -12.517 1155 1HB GLN 146 1HB GLN 146 -2.098 19.511 -12.135 1156 2HB GLN 146 2HB GLN 146 -3.735 18.969 -12.540 1157 1HG GLN 146 1HG GLN 146 -2.179 18.170 -10.036 1158 2HG GLN 146 2HG GLN 146 -3.426 19.405 -10.109 1159 1HE2 GLN 146 2HE2 GLN 146 -2.835 16.037 -9.637 1160 2HE2 GLN 146 1HE2 GLN 146 -4.510 15.517 -9.659 1161 H VAL 147 H VAL 147 -3.965 16.736 -14.401 1162 HA VAL 147 HA VAL 147 -2.661 17.672 -16.863 1163 HB VAL 147 HB VAL 147 -3.107 15.299 -17.767 1164 1HG1 VAL 147 1HG1 VAL 147 -0.832 16.235 -17.403 1165 2HG1 VAL 147 2HG1 VAL 147 -0.836 15.575 -15.753 1166 3HG1 VAL 147 3HG1 VAL 147 -0.901 14.486 -17.148 1167 1HG2 VAL 147 1HG2 VAL 147 -2.935 13.417 -16.194 1168 2HG2 VAL 147 2HG2 VAL 147 -2.915 14.522 -14.804 1169 3HG2 VAL 147 3HG2 VAL 147 -4.371 14.381 -15.820 Start of MODEL 19 1 H MET 1 H MET 1 -5.973 10.805 -16.035 2 HA MET 1 HA MET 1 -4.541 10.420 -14.234 3 1HB MET 1 1HB MET 1 -6.523 11.975 -13.985 4 2HB MET 1 2HB MET 1 -7.392 10.685 -13.157 5 1HG MET 1 1HG MET 1 -4.689 11.715 -12.205 6 2HG MET 1 2HG MET 1 -6.198 12.515 -11.785 7 1HE MET 1 1HE MET 1 -3.962 11.410 -9.745 8 2HE MET 1 2HE MET 1 -5.405 12.259 -9.141 9 3HE MET 1 3HE MET 1 -4.960 10.673 -8.468 10 H PHE 2 H PHE 2 -3.818 9.095 -12.517 11 HA PHE 2 HA PHE 2 -4.506 6.309 -12.590 12 1HB PHE 2 1HB PHE 2 -2.791 7.823 -10.581 13 2HB PHE 2 2HB PHE 2 -2.768 6.101 -10.927 14 HD1 PHE 2 HD1 PHE 2 -1.920 5.293 -13.194 15 HD2 PHE 2 HD2 PHE 2 -1.424 9.354 -11.824 16 HE1 PHE 2 HE1 PHE 2 -0.111 5.635 -14.855 17 HE2 PHE 2 HE2 PHE 2 0.371 9.698 -13.498 18 HZ PHE 2 HZ PHE 2 1.035 7.840 -15.016 19 H ASN 3 H ASN 3 -6.933 7.311 -12.044 20 HA ASN 3 HA ASN 3 -7.512 8.163 -9.419 21 1HB ASN 3 1HB ASN 3 -9.018 8.499 -11.344 22 2HB ASN 3 2HB ASN 3 -9.321 6.759 -11.438 23 1HD2 ASN 3 2HD2 ASN 3 -10.817 5.784 -9.909 24 2HD2 ASN 3 1HD2 ASN 3 -11.754 6.789 -8.831 25 H ASN 4 H ASN 4 -7.191 4.878 -10.683 26 HA ASN 4 HA ASN 4 -8.436 3.740 -8.210 27 1HB ASN 4 1HB ASN 4 -7.967 2.560 -10.995 28 2HB ASN 4 2HB ASN 4 -8.425 1.627 -9.573 29 1HD2 ASN 4 2HD2 ASN 4 -10.205 0.914 -11.005 30 2HD2 ASN 4 1HD2 ASN 4 -11.647 1.904 -11.018 31 H ILE 5 H ILE 5 -6.937 2.825 -6.806 32 HA ILE 5 HA ILE 5 -4.163 2.319 -7.818 33 HB ILE 5 HB ILE 5 -5.031 3.955 -5.402 34 1HG1 ILE 5 1HG1 ILE 5 -3.631 4.791 -7.976 35 2HG1 ILE 5 2HG1 ILE 5 -5.260 5.233 -7.470 36 1HG2 ILE 5 1HG2 ILE 5 -2.980 2.615 -4.910 37 2HG2 ILE 5 2HG2 ILE 5 -2.211 3.338 -6.339 38 3HG2 ILE 5 3HG2 ILE 5 -2.647 4.329 -4.927 39 1HD1 ILE 5 1HD1 ILE 5 -3.839 7.114 -7.153 40 2HD1 ILE 5 2HD1 ILE 5 -4.341 6.517 -5.564 41 3HD1 ILE 5 3HD1 ILE 5 -2.694 6.193 -6.176 42 H LEU 6 H LEU 6 -3.159 0.583 -6.799 43 HA LEU 6 HA LEU 6 -4.684 -0.798 -4.625 44 1HB LEU 6 1HB LEU 6 -4.884 -1.934 -6.853 45 2HB LEU 6 2HB LEU 6 -3.128 -2.059 -6.914 46 HG LEU 6 HG LEU 6 -3.159 -3.499 -4.895 47 1HD1 LEU 6 1HD1 LEU 6 -5.158 -2.784 -3.744 48 2HD1 LEU 6 2HD1 LEU 6 -6.181 -3.226 -5.128 49 3HD1 LEU 6 3HD1 LEU 6 -5.358 -4.480 -4.169 50 1HD2 LEU 6 1HD2 LEU 6 -4.976 -4.433 -7.156 51 2HD2 LEU 6 2HD2 LEU 6 -3.203 -4.549 -7.101 52 3HD2 LEU 6 3HD2 LEU 6 -4.189 -5.483 -5.966 53 H VAL 7 H VAL 7 -3.409 -1.499 -2.918 54 HA VAL 7 HA VAL 7 -0.452 -1.228 -3.221 55 HB VAL 7 HB VAL 7 -2.032 -0.949 -0.638 56 1HG1 VAL 7 1HG1 VAL 7 0.316 -1.621 -0.395 57 2HG1 VAL 7 2HG1 VAL 7 0.841 -0.282 -1.445 58 3HG1 VAL 7 3HG1 VAL 7 0.117 0.049 0.137 59 1HG2 VAL 7 1HG2 VAL 7 -1.014 1.287 -2.454 60 2HG2 VAL 7 2HG2 VAL 7 -2.704 0.961 -2.010 61 3HG2 VAL 7 3HG2 VAL 7 -1.568 1.501 -0.779 62 H VAL 8 H VAL 8 0.751 -3.050 -2.717 63 HA VAL 8 HA VAL 8 -0.768 -5.408 -1.739 64 HB VAL 8 HB VAL 8 1.207 -5.555 -4.025 65 1HG1 VAL 8 1HG1 VAL 8 0.683 -7.677 -2.876 66 2HG1 VAL 8 2HG1 VAL 8 -1.064 -7.366 -3.080 67 3HG1 VAL 8 3HG1 VAL 8 -0.048 -7.681 -4.482 68 1HG2 VAL 8 1HG2 VAL 8 -0.707 -5.691 -5.595 69 2HG2 VAL 8 2HG2 VAL 8 -1.810 -5.238 -4.278 70 3HG2 VAL 8 3HG2 VAL 8 -0.578 -4.094 -4.872 71 H CYS 9 H CYS 9 0.300 -6.700 -0.256 72 HA CYS 9 HA CYS 9 3.252 -6.651 -0.212 73 1HB CYS 9 1HB CYS 9 3.447 -6.136 2.145 74 2HB CYS 9 2HB CYS 9 2.599 -4.816 1.332 75 HG CYS 9 HG CYS 9 0.240 -5.423 2.013 76 H VAL 10 H VAL 10 3.881 -8.258 1.892 77 HA VAL 10 HA VAL 10 2.307 -10.744 1.307 78 HB VAL 10 HB VAL 10 4.035 -11.856 2.745 79 1HG1 VAL 10 1HG1 VAL 10 5.745 -11.914 0.925 80 2HG1 VAL 10 2HG1 VAL 10 4.087 -12.094 0.342 81 3HG1 VAL 10 3HG1 VAL 10 4.922 -10.542 0.145 82 1HG2 VAL 10 1HG2 VAL 10 5.680 -9.325 2.338 83 2HG2 VAL 10 2HG2 VAL 10 4.968 -9.842 3.892 84 3HG2 VAL 10 3HG2 VAL 10 6.199 -10.834 3.103 85 H GLY 11 H GLY 11 1.224 -11.787 3.104 86 1HA GLY 11 1HA GLY 11 0.208 -11.877 5.186 87 2HA GLY 11 2HA GLY 11 1.033 -10.390 5.670 88 H ASN 12 H ASN 12 0.193 -8.676 3.548 89 HA ASN 12 HA ASN 12 -1.454 -7.331 2.798 90 1HB ASN 12 1HB ASN 12 -2.576 -9.369 1.978 91 2HB ASN 12 2HB ASN 12 -3.454 -9.508 3.492 92 1HD2 ASN 12 2HD2 ASN 12 -3.695 -6.211 3.170 93 2HD2 ASN 12 1HD2 ASN 12 -5.197 -6.242 2.262 94 H ILE 13 H ILE 13 -2.476 -8.929 5.839 95 HA ILE 13 HA ILE 13 -4.298 -6.966 6.600 96 HB ILE 13 HB ILE 13 -4.397 -8.187 8.706 97 1HG1 ILE 13 1HG1 ILE 13 -2.035 -9.878 7.793 98 2HG1 ILE 13 2HG1 ILE 13 -1.896 -8.561 8.954 99 1HG2 ILE 13 1HG2 ILE 13 -5.480 -9.062 6.634 100 2HG2 ILE 13 2HG2 ILE 13 -4.083 -10.127 6.369 101 3HG2 ILE 13 3HG2 ILE 13 -5.101 -10.317 7.803 102 1HD1 ILE 13 1HD1 ILE 13 -3.590 -11.059 9.335 103 2HD1 ILE 13 2HD1 ILE 13 -2.077 -10.646 10.160 104 3HD1 ILE 13 3HD1 ILE 13 -3.536 -9.679 10.450 105 H CYS 14 H CYS 14 -1.397 -5.791 6.275 106 HA CYS 14 HA CYS 14 -1.570 -4.163 8.750 107 1HB CYS 14 1HB CYS 14 1.075 -5.426 7.880 108 2HB CYS 14 2HB CYS 14 0.790 -4.339 9.244 109 HG CYS 14 HG CYS 14 -1.231 -6.170 10.057 110 H ARG 15 H ARG 15 1.006 -4.317 6.229 111 HA ARG 15 HA ARG 15 0.925 -1.452 6.265 112 1HB ARG 15 1HB ARG 15 2.884 -1.585 4.717 113 2HB ARG 15 2HB ARG 15 3.020 -2.335 6.300 114 1HG ARG 15 1HG ARG 15 2.538 -4.579 5.178 115 2HG ARG 15 2HG ARG 15 2.731 -3.738 3.630 116 1HD ARG 15 1HD ARG 15 5.039 -3.164 4.197 117 2HD ARG 15 2HD ARG 15 4.826 -3.732 5.851 118 HE ARG 15 HE ARG 15 4.286 -6.004 4.691 119 1HH1 ARG 15 1HH2 ARG 15 7.113 -3.887 4.173 120 2HH1 ARG 15 2HH2 ARG 15 7.943 -5.106 3.244 121 1HH2 ARG 15 1HH1 ARG 15 5.617 -7.604 3.665 122 2HH2 ARG 15 2HH1 ARG 15 7.140 -7.094 2.950 123 H SER 16 H SER 16 -0.249 -3.741 3.702 124 HA SER 16 HA SER 16 -0.762 -1.713 1.835 125 1HB SER 16 1HB SER 16 -2.486 -4.162 2.317 126 2HB SER 16 2HB SER 16 -2.487 -3.110 0.889 127 HG SER 16 HG SER 16 -1.268 -4.969 0.578 128 HA PRO 17 HA PRO 17 -5.048 -0.779 3.610 129 1HB PRO 17 1HB PRO 17 -5.756 -1.422 6.198 130 2HB PRO 17 2HB PRO 17 -6.103 -2.417 4.753 131 1HG PRO 17 1HG PRO 17 -3.816 -2.707 6.711 132 2HG PRO 17 2HG PRO 17 -4.880 -3.989 6.051 133 1HD PRO 17 1HD PRO 17 -2.436 -3.547 4.987 134 2HD PRO 17 2HD PRO 17 -3.839 -3.912 3.939 135 H THR 18 H THR 18 -2.280 -0.678 5.904 136 HA THR 18 HA THR 18 -3.072 1.816 7.105 137 HB THR 18 HB THR 18 -0.297 0.599 6.806 138 HG1 THR 18 1HG THR 18 -1.496 -0.847 7.898 139 1HG2 THR 18 1HG2 THR 18 -0.175 2.948 7.532 140 2HG2 THR 18 2HG2 THR 18 -1.417 2.655 8.769 141 3HG2 THR 18 3HG2 THR 18 0.180 1.879 8.896 142 H ALA 19 H ALA 19 -0.918 1.014 4.295 143 HA ALA 19 HA ALA 19 -0.302 3.695 3.578 144 1HB ALA 19 1HB ALA 19 -0.657 1.236 1.815 145 2HB ALA 19 2HB ALA 19 0.160 2.730 1.338 146 3HB ALA 19 3HB ALA 19 0.837 1.702 2.634 147 H GLU 20 H GLU 20 -2.961 1.517 2.538 148 HA GLU 20 HA GLU 20 -4.174 3.195 0.645 149 1HB GLU 20 1HB GLU 20 -4.712 0.857 0.907 150 2HB GLU 20 2HB GLU 20 -5.243 1.122 2.567 151 1HG GLU 20 1HG GLU 20 -7.040 2.728 1.352 152 2HG GLU 20 2HG GLU 20 -6.677 1.653 0.008 153 H ARG 21 H ARG 21 -4.993 2.858 4.186 154 HA ARG 21 HA ARG 21 -6.957 4.920 4.053 155 1HB ARG 21 1HB ARG 21 -5.328 3.795 6.371 156 2HB ARG 21 2HB ARG 21 -6.625 4.962 6.561 157 1HG ARG 21 1HG ARG 21 -6.948 2.143 5.474 158 2HG ARG 21 2HG ARG 21 -7.416 2.765 7.056 159 1HD ARG 21 1HD ARG 21 -8.866 4.464 5.583 160 2HD ARG 21 2HD ARG 21 -8.746 3.178 4.379 161 HE ARG 21 HE ARG 21 -10.093 3.154 7.004 162 1HH1 ARG 21 1HH2 ARG 21 -9.086 0.996 4.273 163 2HH1 ARG 21 2HH2 ARG 21 -9.852 -0.365 5.013 164 1HH2 ARG 21 1HH1 ARG 21 -11.052 1.387 7.838 165 2HH2 ARG 21 2HH1 ARG 21 -11.013 -0.168 7.026 166 H LEU 22 H LEU 22 -3.430 5.100 4.674 167 HA LEU 22 HA LEU 22 -3.455 7.878 5.430 168 1HB LEU 22 1HB LEU 22 -1.344 6.046 4.233 169 2HB LEU 22 2HB LEU 22 -1.022 7.735 4.615 170 HG LEU 22 HG LEU 22 -2.127 5.875 6.751 171 1HD1 LEU 22 1HD1 LEU 22 0.776 6.279 5.960 172 2HD1 LEU 22 2HD1 LEU 22 0.246 5.546 7.489 173 3HD1 LEU 22 3HD1 LEU 22 -0.122 4.767 5.940 174 1HD2 LEU 22 1HD2 LEU 22 -2.191 8.295 7.203 175 2HD2 LEU 22 2HD2 LEU 22 -1.003 7.494 8.233 176 3HD2 LEU 22 3HD2 LEU 22 -0.462 8.429 6.830 177 H LEU 23 H LEU 23 -3.091 6.233 2.243 178 HA LEU 23 HA LEU 23 -2.800 8.642 0.719 179 1HB LEU 23 1HB LEU 23 -3.848 5.871 0.031 180 2HB LEU 23 2HB LEU 23 -3.703 7.161 -1.159 181 HG LEU 23 HG LEU 23 -1.281 6.337 0.458 182 1HD1 LEU 23 1HD1 LEU 23 -2.128 4.263 -0.515 183 2HD1 LEU 23 2HD1 LEU 23 -2.265 5.039 -2.119 184 3HD1 LEU 23 3HD1 LEU 23 -0.683 4.772 -1.365 185 1HD2 LEU 23 1HD2 LEU 23 -1.645 7.550 -2.322 186 2HD2 LEU 23 2HD2 LEU 23 -1.159 8.434 -0.861 187 3HD2 LEU 23 3HD2 LEU 23 -0.101 7.190 -1.535 188 H GLN 24 H GLN 24 -5.726 6.777 1.735 189 HA GLN 24 HA GLN 24 -7.602 8.455 0.380 190 1HB GLN 24 1HB GLN 24 -7.828 6.708 2.866 191 2HB GLN 24 2HB GLN 24 -9.187 7.589 2.202 192 1HG GLN 24 1HG GLN 24 -7.604 5.450 0.712 193 2HG GLN 24 2HG GLN 24 -9.156 5.217 1.510 194 1HE2 GLN 24 2HE2 GLN 24 -10.722 7.344 0.715 195 2HE2 GLN 24 1HE2 GLN 24 -10.811 7.423 -1.040 196 H ARG 25 H ARG 25 -6.082 8.724 3.672 197 HA ARG 25 HA ARG 25 -7.628 10.935 4.496 198 1HB ARG 25 1HB ARG 25 -6.121 9.559 5.950 199 2HB ARG 25 2HB ARG 25 -4.717 10.339 5.210 200 1HG ARG 25 1HG ARG 25 -5.518 12.556 6.050 201 2HG ARG 25 2HG ARG 25 -6.933 11.755 6.749 202 1HD ARG 25 1HD ARG 25 -5.386 12.069 8.531 203 2HD ARG 25 2HD ARG 25 -5.374 10.345 8.131 204 HE ARG 25 HE ARG 25 -3.326 11.960 6.791 205 1HH1 ARG 25 1HH2 ARG 25 -4.038 10.049 9.714 206 2HH1 ARG 25 2HH2 ARG 25 -2.376 9.655 10.013 207 1HH2 ARG 25 1HH1 ARG 25 -1.099 11.636 7.372 208 2HH2 ARG 25 2HH1 ARG 25 -0.701 10.720 8.778 209 H TYR 26 H TYR 26 -4.439 10.879 2.800 210 HA TYR 26 HA TYR 26 -4.383 13.736 2.594 211 1HB TYR 26 1HB TYR 26 -2.747 11.574 1.232 212 2HB TYR 26 2HB TYR 26 -2.463 13.303 1.032 213 HD1 TYR 26 HD1 TYR 26 -1.407 10.520 2.905 214 HD2 TYR 26 HD2 TYR 26 -2.323 14.719 3.286 215 HE1 TYR 26 HE1 TYR 26 -0.044 10.628 4.973 216 HE2 TYR 26 HE2 TYR 26 -0.972 14.836 5.349 217 HH TYR 26 HH TYR 26 0.348 13.663 6.863 218 H HIS 27 H HIS 27 -5.723 11.276 0.386 219 HA HIS 27 HA HIS 27 -6.604 13.446 -1.428 220 1HB HIS 27 1HB HIS 27 -4.316 12.239 -1.973 221 2HB HIS 27 2HB HIS 27 -5.331 10.952 -2.568 222 HD1 HIS 27 HD1 HIS 27 -7.376 13.680 -3.679 223 HD2 HIS 27 HD2 HIS 27 -3.424 12.467 -4.503 224 HE1 HIS 27 HE1 HIS 27 -6.763 14.688 -5.927 225 HA PRO 28 HA PRO 28 -9.679 10.164 -0.149 226 1HB PRO 28 1HB PRO 28 -11.826 11.795 0.477 227 2HB PRO 28 2HB PRO 28 -10.497 11.409 1.605 228 1HG PRO 28 1HG PRO 28 -10.792 13.851 -0.165 229 2HG PRO 28 2HG PRO 28 -10.372 13.790 1.578 230 1HD PRO 28 1HD PRO 28 -8.456 14.044 -0.317 231 2HD PRO 28 2HD PRO 28 -8.188 13.007 1.114 232 H GLU 29 H GLU 29 -9.712 12.550 -2.655 233 HA GLU 29 HA GLU 29 -12.207 11.906 -3.909 234 1HB GLU 29 1HB GLU 29 -9.613 12.919 -5.177 235 2HB GLU 29 2HB GLU 29 -11.224 12.982 -5.868 236 1HG GLU 29 1HG GLU 29 -10.882 15.146 -5.133 237 2HG GLU 29 2HG GLU 29 -11.930 14.444 -3.905 238 H LEU 30 H LEU 30 -9.172 10.168 -3.681 239 HA LEU 30 HA LEU 30 -9.493 8.830 -6.287 240 1HB LEU 30 1HB LEU 30 -7.341 8.452 -4.174 241 2HB LEU 30 2HB LEU 30 -7.308 7.887 -5.850 242 HG LEU 30 HG LEU 30 -7.122 10.751 -4.870 243 1HD1 LEU 30 1HD1 LEU 30 -5.065 9.397 -4.747 244 2HD1 LEU 30 2HD1 LEU 30 -5.237 8.960 -6.462 245 3HD1 LEU 30 3HD1 LEU 30 -4.923 10.641 -6.001 246 1HD2 LEU 30 1HD2 LEU 30 -7.297 9.790 -7.758 247 2HD2 LEU 30 2HD2 LEU 30 -8.500 10.792 -6.916 248 3HD2 LEU 30 3HD2 LEU 30 -6.896 11.440 -7.221 249 H LYS 31 H LYS 31 -8.976 6.416 -6.298 250 HA LYS 31 HA LYS 31 -10.668 5.021 -4.255 251 1HB LYS 31 1HB LYS 31 -11.834 5.150 -6.336 252 2HB LYS 31 2HB LYS 31 -10.403 4.745 -7.266 253 1HG LYS 31 1HG LYS 31 -12.157 2.963 -7.140 254 2HG LYS 31 2HG LYS 31 -10.526 2.460 -6.760 255 1HD LYS 31 1HD LYS 31 -12.139 1.389 -5.303 256 2HD LYS 31 2HD LYS 31 -11.032 2.397 -4.370 257 1HE LYS 31 1HE LYS 31 -12.712 4.122 -4.088 258 2HE LYS 31 2HE LYS 31 -13.817 3.313 -5.209 259 1HZ LYS 31 1HZ LYS 31 -12.876 1.977 -2.738 260 2HZ LYS 31 2HZ LYS 31 -14.220 2.939 -2.755 261 3HZ LYS 31 3HZ LYS 31 -14.159 1.591 -3.668 262 H VAL 32 H VAL 32 -8.790 4.746 -2.950 263 HA VAL 32 HA VAL 32 -6.660 3.024 -4.077 264 HB VAL 32 HB VAL 32 -6.748 4.307 -1.326 265 1HG1 VAL 32 1HG1 VAL 32 -4.454 3.249 -3.039 266 2HG1 VAL 32 2HG1 VAL 32 -4.315 3.983 -1.433 267 3HG1 VAL 32 3HG1 VAL 32 -5.144 2.438 -1.625 268 1HG2 VAL 32 1HG2 VAL 32 -5.279 6.077 -2.198 269 2HG2 VAL 32 2HG2 VAL 32 -5.452 5.454 -3.844 270 3HG2 VAL 32 3HG2 VAL 32 -6.834 6.159 -2.994 271 H GLU 33 H GLU 33 -6.562 0.879 -3.508 272 HA GLU 33 HA GLU 33 -8.084 -0.070 -1.123 273 1HB GLU 33 1HB GLU 33 -8.154 -1.330 -3.890 274 2HB GLU 33 2HB GLU 33 -8.850 -2.036 -2.440 275 1HG GLU 33 1HG GLU 33 -9.764 0.536 -3.777 276 2HG GLU 33 2HG GLU 33 -10.550 -1.025 -3.881 277 H SER 34 H SER 34 -7.414 -2.574 -0.893 278 HA SER 34 HA SER 34 -4.431 -2.711 -1.103 279 1HB SER 34 1HB SER 34 -6.269 -3.304 1.239 280 2HB SER 34 2HB SER 34 -4.539 -3.630 1.223 281 HG SER 34 HG SER 34 -5.998 -1.235 1.235 282 H ALA 35 H ALA 35 -3.506 -4.833 -0.999 283 HA ALA 35 HA ALA 35 -5.158 -7.214 -0.739 284 1HB ALA 35 1HB ALA 35 -5.503 -6.689 -3.148 285 2HB ALA 35 2HB ALA 35 -3.741 -6.623 -3.392 286 3HB ALA 35 3HB ALA 35 -4.539 -8.152 -2.958 287 H GLY 36 H GLY 36 -3.469 -9.187 -1.306 288 1HA GLY 36 1HA GLY 36 -0.685 -8.340 -1.002 289 2HA GLY 36 2HA GLY 36 -1.294 -9.366 0.284 290 H LEU 37 H LEU 37 0.904 -10.000 -1.217 291 HA LEU 37 HA LEU 37 0.315 -11.890 -3.357 292 1HB LEU 37 1HB LEU 37 2.714 -11.208 -1.625 293 2HB LEU 37 2HB LEU 37 2.752 -12.618 -2.672 294 HG LEU 37 HG LEU 37 1.957 -9.935 -3.838 295 1HD1 LEU 37 1HD1 LEU 37 4.816 -10.885 -3.405 296 2HD1 LEU 37 2HD1 LEU 37 4.314 -9.488 -4.395 297 3HD1 LEU 37 3HD1 LEU 37 4.047 -9.477 -2.647 298 1HD2 LEU 37 1HD2 LEU 37 2.895 -10.909 -5.890 299 2HD2 LEU 37 2HD2 LEU 37 3.441 -12.343 -4.993 300 3HD2 LEU 37 3HD2 LEU 37 1.716 -12.032 -5.197 301 H GLY 38 H GLY 38 1.353 -12.224 0.052 302 1HA GLY 38 1HA GLY 38 0.080 -14.930 0.194 303 2HA GLY 38 2HA GLY 38 1.366 -14.325 1.255 304 H ALA 39 H ALA 39 -1.818 -13.100 0.071 305 HA ALA 39 HA ALA 39 -2.356 -11.663 2.524 306 1HB ALA 39 1HB ALA 39 -4.290 -12.498 0.325 307 2HB ALA 39 2HB ALA 39 -4.519 -11.190 1.489 308 3HB ALA 39 3HB ALA 39 -3.272 -11.040 0.246 309 H LEU 40 H LEU 40 -4.466 -12.011 3.679 310 HA LEU 40 HA LEU 40 -5.011 -14.909 4.215 311 1HB LEU 40 1HB LEU 40 -4.765 -12.554 6.137 312 2HB LEU 40 2HB LEU 40 -5.294 -14.172 6.586 313 HG LEU 40 HG LEU 40 -2.533 -13.523 5.456 314 1HD1 LEU 40 1HD1 LEU 40 -2.841 -12.446 7.605 315 2HD1 LEU 40 2HD1 LEU 40 -3.431 -13.961 8.332 316 3HD1 LEU 40 3HD1 LEU 40 -1.749 -13.823 7.772 317 1HD2 LEU 40 1HD2 LEU 40 -3.610 -16.058 6.777 318 2HD2 LEU 40 2HD2 LEU 40 -3.168 -15.874 5.062 319 3HD2 LEU 40 3HD2 LEU 40 -1.922 -15.766 6.305 320 H VAL 41 H VAL 41 -6.732 -14.783 2.722 321 HA VAL 41 HA VAL 41 -8.388 -12.684 2.263 322 HB VAL 41 HB VAL 41 -9.278 -15.585 2.127 323 1HG1 VAL 41 1HG1 VAL 41 -10.037 -13.132 0.466 324 2HG1 VAL 41 2HG1 VAL 41 -10.592 -14.797 0.179 325 3HG1 VAL 41 3HG1 VAL 41 -11.073 -13.952 1.651 326 1HG2 VAL 41 1HG2 VAL 41 -8.357 -15.520 -0.214 327 2HG2 VAL 41 2HG2 VAL 41 -7.546 -13.992 0.184 328 3HG2 VAL 41 3HG2 VAL 41 -7.113 -15.495 1.027 329 H GLY 42 H GLY 42 -9.798 -11.530 3.406 330 1HA GLY 42 1HA GLY 42 -11.558 -11.004 4.737 331 2HA GLY 42 2HA GLY 42 -11.934 -12.723 4.851 332 H LYS 43 H LYS 43 -8.730 -12.091 6.096 333 HA LYS 43 HA LYS 43 -9.692 -12.781 8.748 334 1HB LYS 43 1HB LYS 43 -6.995 -12.342 7.492 335 2HB LYS 43 2HB LYS 43 -7.102 -12.138 9.227 336 1HG LYS 43 1HG LYS 43 -6.486 -14.435 8.672 337 2HG LYS 43 2HG LYS 43 -8.011 -14.350 9.561 338 1HD LYS 43 1HD LYS 43 -9.267 -14.574 7.431 339 2HD LYS 43 2HD LYS 43 -7.756 -14.705 6.546 340 1HE LYS 43 1HE LYS 43 -8.774 -16.608 8.720 341 2HE LYS 43 2HE LYS 43 -8.906 -16.895 6.986 342 1HZ LYS 43 1HZ LYS 43 -6.488 -16.987 6.866 343 2HZ LYS 43 2HZ LYS 43 -6.354 -16.721 8.484 344 3HZ LYS 43 3HZ LYS 43 -7.047 -18.081 7.929 345 H GLY 44 H GLY 44 -9.484 -9.686 7.269 346 1HA GLY 44 1HA GLY 44 -9.840 -7.615 8.211 347 2HA GLY 44 2HA GLY 44 -9.914 -8.342 9.818 348 H ALA 45 H ALA 45 -8.550 -6.055 9.590 349 HA ALA 45 HA ALA 45 -5.746 -6.324 8.966 350 1HB ALA 45 1HB ALA 45 -7.229 -4.262 10.654 351 2HB ALA 45 2HB ALA 45 -5.546 -4.139 10.106 352 3HB ALA 45 3HB ALA 45 -6.862 -4.136 8.916 353 H ASP 46 H ASP 46 -3.990 -6.338 10.479 354 HA ASP 46 HA ASP 46 -4.300 -8.037 12.801 355 1HB ASP 46 1HB ASP 46 -2.195 -7.888 11.494 356 2HB ASP 46 2HB ASP 46 -2.016 -6.197 11.973 357 HA PRO 47 HA PRO 47 -5.894 -4.777 15.327 358 1HB PRO 47 1HB PRO 47 -5.339 -5.657 17.900 359 2HB PRO 47 2HB PRO 47 -6.658 -6.272 16.860 360 1HG PRO 47 1HG PRO 47 -3.891 -7.444 17.254 361 2HG PRO 47 2HG PRO 47 -5.471 -8.295 17.278 362 1HD PRO 47 1HD PRO 47 -3.915 -8.303 15.069 363 2HD PRO 47 2HD PRO 47 -5.688 -8.129 14.916 364 H THR 48 H THR 48 -2.452 -5.481 15.369 365 HA THR 48 HA THR 48 -1.785 -3.257 17.146 366 HB THR 48 HB THR 48 0.135 -4.424 15.141 367 HG1 THR 48 1HG THR 48 -0.772 -6.219 15.822 368 1HG2 THR 48 1HG2 THR 48 0.919 -2.674 16.687 369 2HG2 THR 48 2HG2 THR 48 0.386 -3.636 18.083 370 3HG2 THR 48 3HG2 THR 48 1.710 -4.218 17.050 371 H ALA 49 H ALA 49 -2.198 -3.865 13.631 372 HA ALA 49 HA ALA 49 -1.248 -1.279 12.764 373 1HB ALA 49 1HB ALA 49 -2.406 -1.857 10.670 374 2HB ALA 49 2HB ALA 49 -1.474 -3.252 11.253 375 3HB ALA 49 3HB ALA 49 -3.230 -3.213 11.469 376 H ILE 50 H ILE 50 -4.467 -2.654 13.627 377 HA ILE 50 HA ILE 50 -5.963 -0.299 13.147 378 HB ILE 50 HB ILE 50 -6.511 -2.337 15.321 379 1HG1 ILE 50 1HG1 ILE 50 -7.366 -2.405 12.392 380 2HG1 ILE 50 2HG1 ILE 50 -6.223 -3.495 13.146 381 1HG2 ILE 50 1HG2 ILE 50 -8.874 -1.630 15.065 382 2HG2 ILE 50 2HG2 ILE 50 -7.872 -0.250 15.460 383 3HG2 ILE 50 3HG2 ILE 50 -8.398 -0.490 13.784 384 1HD1 ILE 50 1HD1 ILE 50 -9.204 -3.370 13.658 385 2HD1 ILE 50 2HD1 ILE 50 -8.261 -4.683 12.947 386 3HD1 ILE 50 3HD1 ILE 50 -8.072 -4.303 14.669 387 H SER 51 H SER 51 -4.338 -1.429 16.173 388 HA SER 51 HA SER 51 -5.143 0.746 17.770 389 1HB SER 51 1HB SER 51 -2.598 -0.918 17.999 390 2HB SER 51 2HB SER 51 -3.341 0.062 19.275 391 HG SER 51 HG SER 51 -4.381 -2.266 18.014 392 H VAL 52 H VAL 52 -2.017 0.330 15.947 393 HA VAL 52 HA VAL 52 -1.023 2.878 16.696 394 HB VAL 52 HB VAL 52 -0.372 0.988 14.411 395 1HG1 VAL 52 1HG1 VAL 52 1.184 3.487 15.210 396 2HG1 VAL 52 2HG1 VAL 52 1.721 2.227 14.072 397 3HG1 VAL 52 3HG1 VAL 52 0.334 3.234 13.670 398 1HG2 VAL 52 1HG2 VAL 52 0.170 0.184 16.699 399 2HG2 VAL 52 2HG2 VAL 52 1.657 0.577 15.833 400 3HG2 VAL 52 3HG2 VAL 52 1.024 1.697 17.044 401 H ALA 53 H ALA 53 -3.201 1.955 13.945 402 HA ALA 53 HA ALA 53 -3.030 4.586 12.755 403 1HB ALA 53 1HB ALA 53 -3.745 2.605 11.492 404 2HB ALA 53 2HB ALA 53 -5.163 2.434 12.559 405 3HB ALA 53 3HB ALA 53 -5.009 3.853 11.499 406 H ALA 54 H ALA 54 -5.279 3.075 15.155 407 HA ALA 54 HA ALA 54 -7.020 5.329 15.357 408 1HB ALA 54 1HB ALA 54 -6.357 3.169 17.414 409 2HB ALA 54 2HB ALA 54 -7.749 4.270 17.463 410 3HB ALA 54 3HB ALA 54 -7.619 3.069 16.163 411 H GLU 55 H GLU 55 -3.956 4.481 17.053 412 HA GLU 55 HA GLU 55 -3.922 6.712 18.809 413 1HB GLU 55 1HB GLU 55 -1.781 4.942 17.592 414 2HB GLU 55 2HB GLU 55 -1.368 6.242 18.710 415 1HG GLU 55 1HG GLU 55 -2.466 5.260 20.524 416 2HG GLU 55 2HG GLU 55 -3.512 4.274 19.516 417 H HIS 56 H HIS 56 -3.806 6.757 15.415 418 HA HIS 56 HA HIS 56 -2.928 9.600 15.413 419 1HB HIS 56 1HB HIS 56 -2.423 7.373 13.420 420 2HB HIS 56 2HB HIS 56 -2.333 9.074 12.971 421 HD1 HIS 56 HD1 HIS 56 -0.144 10.385 13.588 422 HD2 HIS 56 HD2 HIS 56 -0.505 6.584 15.354 423 HE1 HIS 56 HE1 HIS 56 2.091 9.896 14.703 424 H GLN 57 H GLN 57 -5.595 8.034 15.742 425 HA GLN 57 HA GLN 57 -7.749 8.207 15.089 426 1HB GLN 57 1HB GLN 57 -6.879 11.058 14.452 427 2HB GLN 57 2HB GLN 57 -8.535 10.535 14.748 428 1HG GLN 57 1HG GLN 57 -6.300 10.342 16.823 429 2HG GLN 57 2HG GLN 57 -7.426 11.680 16.677 430 1HE2 GLN 57 2HE2 GLN 57 -7.186 8.189 17.512 431 2HE2 GLN 57 1HE2 GLN 57 -8.723 8.137 18.340 432 H LEU 58 H LEU 58 -6.327 6.900 13.128 433 HA LEU 58 HA LEU 58 -7.904 7.754 10.738 434 1HB LEU 58 1HB LEU 58 -5.151 7.296 10.859 435 2HB LEU 58 2HB LEU 58 -5.775 5.749 10.297 436 HG LEU 58 HG LEU 58 -6.174 8.488 9.046 437 1HD1 LEU 58 1HD1 LEU 58 -4.815 5.973 7.994 438 2HD1 LEU 58 2HD1 LEU 58 -4.921 7.552 7.178 439 3HD1 LEU 58 3HD1 LEU 58 -3.989 7.386 8.673 440 1HD2 LEU 58 1HD2 LEU 58 -7.539 5.878 8.326 441 2HD2 LEU 58 2HD2 LEU 58 -8.269 7.475 8.591 442 3HD2 LEU 58 3HD2 LEU 58 -7.310 7.198 7.148 443 H SER 59 H SER 59 -9.502 6.399 10.131 444 HA SER 59 HA SER 59 -10.209 4.309 11.928 445 1HB SER 59 1HB SER 59 -11.563 5.173 9.335 446 2HB SER 59 2HB SER 59 -12.304 4.297 10.688 447 HG SER 59 HG SER 59 -12.750 6.549 10.751 448 H LEU 60 H LEU 60 -8.437 2.802 11.573 449 HA LEU 60 HA LEU 60 -8.314 1.333 9.001 450 1HB LEU 60 1HB LEU 60 -6.400 2.273 10.470 451 2HB LEU 60 2HB LEU 60 -6.718 0.950 11.564 452 HG LEU 60 HG LEU 60 -4.736 0.713 10.186 453 1HD1 LEU 60 1HD1 LEU 60 -4.837 -1.512 9.411 454 2HD1 LEU 60 2HD1 LEU 60 -5.864 -1.404 10.846 455 3HD1 LEU 60 3HD1 LEU 60 -6.596 -1.462 9.223 456 1HD2 LEU 60 1HD2 LEU 60 -5.481 1.935 8.201 457 2HD2 LEU 60 2HD2 LEU 60 -4.791 0.359 7.802 458 3HD2 LEU 60 3HD2 LEU 60 -6.548 0.575 7.752 459 H GLU 61 H GLU 61 -10.634 1.278 11.119 460 HA GLU 61 HA GLU 61 -10.507 -0.889 12.777 461 1HB GLU 61 1HB GLU 61 -12.958 0.256 11.390 462 2HB GLU 61 2HB GLU 61 -12.990 -0.793 12.815 463 1HG GLU 61 1HG GLU 61 -11.620 0.888 14.062 464 2HG GLU 61 2HG GLU 61 -11.708 1.969 12.669 465 H GLY 62 H GLY 62 -10.988 -1.261 9.295 466 1HA GLY 62 1HA GLY 62 -10.610 -4.054 9.554 467 2HA GLY 62 2HA GLY 62 -12.304 -3.711 9.147 468 H HIS 63 H HIS 63 -10.417 -5.031 7.565 469 HA HIS 63 HA HIS 63 -10.815 -3.654 5.030 470 1HB HIS 63 1HB HIS 63 -8.589 -2.846 5.411 471 2HB HIS 63 2HB HIS 63 -8.069 -4.373 6.125 472 HD1 HIS 63 HD1 HIS 63 -9.466 -3.468 2.566 473 HD2 HIS 63 HD2 HIS 63 -6.589 -5.779 4.595 474 HE1 HIS 63 HE1 HIS 63 -8.265 -4.843 0.795 475 H CYS 64 H CYS 64 -11.619 -5.217 3.673 476 HA CYS 64 HA CYS 64 -11.517 -8.043 4.390 477 1HB CYS 64 1HB CYS 64 -12.479 -6.651 1.850 478 2HB CYS 64 2HB CYS 64 -12.718 -8.354 2.257 479 HG CYS 64 HG CYS 64 -14.962 -7.043 2.603 480 H ALA 65 H ALA 65 -9.264 -8.514 4.481 481 HA ALA 65 HA ALA 65 -7.395 -8.025 2.403 482 1HB ALA 65 1HB ALA 65 -6.162 -9.940 3.517 483 2HB ALA 65 2HB ALA 65 -6.653 -8.630 4.609 484 3HB ALA 65 3HB ALA 65 -7.573 -10.149 4.572 485 H ARG 66 H ARG 66 -6.481 -9.506 0.862 486 HA ARG 66 HA ARG 66 -8.056 -11.754 -0.136 487 1HB ARG 66 1HB ARG 66 -8.803 -10.586 -2.219 488 2HB ARG 66 2HB ARG 66 -9.597 -9.973 -0.771 489 1HG ARG 66 1HG ARG 66 -7.895 -8.066 -0.743 490 2HG ARG 66 2HG ARG 66 -7.332 -8.646 -2.316 491 1HD ARG 66 1HD ARG 66 -9.581 -8.259 -3.257 492 2HD ARG 66 2HD ARG 66 -10.156 -7.709 -1.663 493 HE ARG 66 HE ARG 66 -8.014 -6.133 -1.959 494 1HH1 ARG 66 1HH1 ARG 66 -10.708 -6.644 -4.254 495 2HH1 ARG 66 2HH1 ARG 66 -10.390 -5.160 -5.093 496 1HH2 ARG 66 1HH2 ARG 66 -7.627 -4.296 -3.059 497 2HH2 ARG 66 2HH2 ARG 66 -8.639 -3.792 -4.405 498 H GLN 67 H GLN 67 -6.885 -12.812 -1.846 499 HA GLN 67 HA GLN 67 -4.078 -12.037 -2.016 500 1HB GLN 67 1HB GLN 67 -5.645 -14.360 -3.190 501 2HB GLN 67 2HB GLN 67 -4.000 -13.965 -3.699 502 1HG GLN 67 1HG GLN 67 -3.325 -14.030 -1.231 503 2HG GLN 67 2HG GLN 67 -4.891 -14.790 -0.918 504 1HE2 GLN 67 2HE2 GLN 67 -1.665 -15.161 -2.375 505 2HE2 GLN 67 1HE2 GLN 67 -1.809 -16.870 -2.717 506 H ILE 68 H ILE 68 -3.014 -11.195 -3.636 507 HA ILE 68 HA ILE 68 -4.281 -9.597 -5.582 508 HB ILE 68 HB ILE 68 -1.973 -9.337 -4.720 509 1HG1 ILE 68 1HG1 ILE 68 -0.832 -8.758 -6.824 510 2HG1 ILE 68 2HG1 ILE 68 -2.058 -9.620 -7.756 511 1HG2 ILE 68 1HG2 ILE 68 -0.114 -10.625 -5.444 512 2HG2 ILE 68 2HG2 ILE 68 -1.307 -11.762 -4.778 513 3HG2 ILE 68 3HG2 ILE 68 -1.107 -11.613 -6.529 514 1HD1 ILE 68 1HD1 ILE 68 -2.375 -7.122 -7.660 515 2HD1 ILE 68 2HD1 ILE 68 -3.774 -8.016 -7.053 516 3HD1 ILE 68 3HD1 ILE 68 -2.636 -7.261 -5.911 517 H SER 69 H SER 69 -4.886 -10.010 -7.689 518 HA SER 69 HA SER 69 -4.746 -12.750 -8.770 519 1HB SER 69 1HB SER 69 -7.361 -11.285 -8.148 520 2HB SER 69 2HB SER 69 -7.213 -12.827 -9.008 521 HG SER 69 HG SER 69 -6.573 -12.270 -6.289 522 H ARG 70 H ARG 70 -5.471 -12.698 -11.114 523 HA ARG 70 HA ARG 70 -4.241 -10.487 -12.350 524 1HB ARG 70 1HB ARG 70 -4.632 -12.904 -13.237 525 2HB ARG 70 2HB ARG 70 -6.219 -12.344 -13.751 526 1HG ARG 70 1HG ARG 70 -4.681 -12.274 -15.612 527 2HG ARG 70 2HG ARG 70 -5.096 -10.607 -15.192 528 1HD ARG 70 1HD ARG 70 -2.980 -10.245 -14.120 529 2HD ARG 70 2HD ARG 70 -2.610 -11.969 -14.076 530 HE ARG 70 HE ARG 70 -2.314 -10.103 -16.334 531 1HH1 ARG 70 1HH2 ARG 70 -2.413 -13.555 -15.448 532 2HH1 ARG 70 2HH2 ARG 70 -1.445 -14.053 -16.784 533 1HH2 ARG 70 1HH1 ARG 70 -0.847 -10.710 -17.870 534 2HH2 ARG 70 2HH1 ARG 70 -0.600 -12.391 -18.288 535 H ARG 71 H ARG 71 -7.730 -11.130 -11.832 536 HA ARG 71 HA ARG 71 -8.697 -8.877 -13.285 537 1HB ARG 71 1HB ARG 71 -9.855 -10.203 -10.784 538 2HB ARG 71 2HB ARG 71 -10.716 -9.082 -11.832 539 1HG ARG 71 1HG ARG 71 -9.688 -11.836 -12.652 540 2HG ARG 71 2HG ARG 71 -11.355 -11.415 -12.248 541 1HD ARG 71 1HD ARG 71 -11.418 -9.825 -14.156 542 2HD ARG 71 2HD ARG 71 -9.764 -10.303 -14.597 543 HE ARG 71 HE ARG 71 -11.240 -12.666 -14.438 544 1HH1 ARG 71 1HH2 ARG 71 -11.330 -9.720 -16.418 545 2HH1 ARG 71 2HH2 ARG 71 -11.973 -10.504 -17.812 546 1HH2 ARG 71 1HH1 ARG 71 -12.108 -13.713 -16.292 547 2HH2 ARG 71 2HH1 ARG 71 -12.428 -12.826 -17.732 548 H LEU 72 H LEU 72 -7.644 -9.144 -9.848 549 HA LEU 72 HA LEU 72 -8.164 -6.448 -9.132 550 1HB LEU 72 1HB LEU 72 -6.362 -8.636 -8.109 551 2HB LEU 72 2HB LEU 72 -5.913 -6.984 -7.714 552 HG LEU 72 HG LEU 72 -8.108 -6.568 -6.758 553 1HD1 LEU 72 1HD1 LEU 72 -8.636 -9.542 -7.194 554 2HD1 LEU 72 2HD1 LEU 72 -9.633 -8.452 -6.214 555 3HD1 LEU 72 3HD1 LEU 72 -9.517 -8.198 -7.956 556 1HD2 LEU 72 1HD2 LEU 72 -6.673 -9.016 -5.624 557 2HD2 LEU 72 2HD2 LEU 72 -6.201 -7.317 -5.372 558 3HD2 LEU 72 3HD2 LEU 72 -7.727 -7.924 -4.717 559 H CYS 73 H CYS 73 -5.186 -7.954 -10.530 560 HA CYS 73 HA CYS 73 -3.681 -5.607 -10.489 561 1HB CYS 73 1HB CYS 73 -3.552 -7.847 -12.575 562 2HB CYS 73 2HB CYS 73 -2.285 -6.656 -12.260 563 HG CYS 73 HG CYS 73 -3.542 -8.930 -10.187 564 H ARG 74 H ARG 74 -6.154 -6.585 -12.858 565 HA ARG 74 HA ARG 74 -5.455 -4.369 -14.675 566 1HB ARG 74 1HB ARG 74 -7.624 -6.512 -14.717 567 2HB ARG 74 2HB ARG 74 -7.393 -5.304 -15.988 568 1HG ARG 74 1HG ARG 74 -5.153 -6.142 -16.480 569 2HG ARG 74 2HG ARG 74 -5.231 -7.290 -15.136 570 1HD ARG 74 1HD ARG 74 -7.135 -8.440 -16.206 571 2HD ARG 74 2HD ARG 74 -7.041 -7.314 -17.581 572 HE ARG 74 HE ARG 74 -4.467 -8.407 -17.270 573 1HH1 ARG 74 1HH2 ARG 74 -7.689 -9.677 -18.122 574 2HH1 ARG 74 2HH2 ARG 74 -7.049 -10.991 -19.039 575 1HH2 ARG 74 1HH1 ARG 74 -3.669 -10.005 -18.416 576 2HH2 ARG 74 2HH1 ARG 74 -4.648 -11.206 -19.244 577 H ASN 75 H ASN 75 -7.692 -4.919 -12.010 578 HA ASN 75 HA ASN 75 -9.708 -3.079 -12.800 579 1HB ASN 75 1HB ASN 75 -10.028 -4.883 -11.131 580 2HB ASN 75 2HB ASN 75 -8.937 -4.051 -10.018 581 1HD2 ASN 75 2HD2 ASN 75 -9.823 -2.402 -8.696 582 2HD2 ASN 75 1HD2 ASN 75 -11.473 -1.852 -8.840 583 H TYR 76 H TYR 76 -6.567 -2.540 -11.342 584 HA TYR 76 HA TYR 76 -7.317 0.287 -10.778 585 1HB TYR 76 1HB TYR 76 -5.142 -1.282 -9.381 586 2HB TYR 76 2HB TYR 76 -5.698 0.331 -8.990 587 HD1 TYR 76 HD1 TYR 76 -6.345 -3.237 -8.710 588 HD2 TYR 76 HD2 TYR 76 -7.874 0.646 -7.702 589 HE1 TYR 76 HE1 TYR 76 -7.972 -4.293 -7.182 590 HE2 TYR 76 HE2 TYR 76 -9.523 -0.376 -6.197 591 HH TYR 76 HH TYR 76 -10.454 -2.393 -5.416 592 H ASP 77 H ASP 77 -5.429 1.813 -11.008 593 HA ASP 77 HA ASP 77 -4.048 1.099 -13.558 594 1HB ASP 77 1HB ASP 77 -5.982 2.684 -13.645 595 2HB ASP 77 2HB ASP 77 -5.047 3.805 -12.648 596 H LEU 78 H LEU 78 -3.332 1.581 -10.362 597 HA LEU 78 HA LEU 78 -0.517 2.081 -10.999 598 1HB LEU 78 1HB LEU 78 -2.154 4.126 -9.828 599 2HB LEU 78 2HB LEU 78 -1.278 3.417 -8.488 600 HG LEU 78 HG LEU 78 -0.063 4.623 -11.003 601 1HD1 LEU 78 1HD1 LEU 78 0.707 6.386 -9.534 602 2HD1 LEU 78 2HD1 LEU 78 -1.040 6.222 -9.329 603 3HD1 LEU 78 3HD1 LEU 78 0.054 5.560 -8.102 604 1HD2 LEU 78 1HD2 LEU 78 1.324 3.407 -8.562 605 2HD2 LEU 78 2HD2 LEU 78 1.436 2.826 -10.236 606 3HD2 LEU 78 3HD2 LEU 78 2.125 4.390 -9.796 607 H ILE 79 H ILE 79 0.667 0.559 -9.772 608 HA ILE 79 HA ILE 79 -0.814 -0.845 -7.591 609 HB ILE 79 HB ILE 79 1.116 -2.159 -9.521 610 1HG1 ILE 79 1HG1 ILE 79 -0.820 -1.552 -10.870 611 2HG1 ILE 79 2HG1 ILE 79 -0.643 -3.281 -10.676 612 1HG2 ILE 79 1HG2 ILE 79 0.151 -4.252 -8.562 613 2HG2 ILE 79 2HG2 ILE 79 0.985 -3.256 -7.364 614 3HG2 ILE 79 3HG2 ILE 79 -0.787 -3.270 -7.419 615 1HD1 ILE 79 1HD1 ILE 79 -2.497 -3.350 -9.067 616 2HD1 ILE 79 2HD1 ILE 79 -2.656 -1.579 -9.150 617 3HD1 ILE 79 3HD1 ILE 79 -3.002 -2.571 -10.571 618 H LEU 80 H LEU 80 0.254 -0.547 -5.727 619 HA LEU 80 HA LEU 80 3.118 0.291 -5.833 620 1HB LEU 80 1HB LEU 80 0.941 0.905 -3.795 621 2HB LEU 80 2HB LEU 80 2.640 1.269 -3.582 622 HG LEU 80 HG LEU 80 1.597 3.275 -4.194 623 1HD1 LEU 80 1HD1 LEU 80 2.946 2.305 -6.748 624 2HD1 LEU 80 2HD1 LEU 80 2.747 3.974 -6.203 625 3HD1 LEU 80 3HD1 LEU 80 3.801 2.872 -5.298 626 1HD2 LEU 80 1HD2 LEU 80 0.466 2.095 -6.742 627 2HD2 LEU 80 2HD2 LEU 80 -0.437 2.275 -5.227 628 3HD2 LEU 80 3HD2 LEU 80 0.209 3.707 -6.056 629 H THR 81 H THR 81 4.566 -0.645 -4.444 630 HA THR 81 HA THR 81 3.692 -3.039 -2.912 631 HB THR 81 HB THR 81 5.663 -4.206 -4.004 632 HG1 THR 81 1HG THR 81 5.479 -1.966 -5.729 633 1HG2 THR 81 1HG2 THR 81 3.349 -4.737 -4.701 634 2HG2 THR 81 2HG2 THR 81 3.443 -3.475 -5.951 635 3HG2 THR 81 3HG2 THR 81 4.513 -4.887 -6.030 636 H MET 82 H MET 82 5.521 -3.689 -1.330 637 HA MET 82 HA MET 82 6.573 -1.132 -0.273 638 1HB MET 82 1HB MET 82 6.147 -3.875 0.994 639 2HB MET 82 2HB MET 82 6.719 -2.441 1.845 640 1HG MET 82 1HG MET 82 4.019 -2.750 0.477 641 2HG MET 82 2HG MET 82 4.319 -2.780 2.205 642 1HE MET 82 1HE MET 82 2.165 -1.205 0.866 643 2HE MET 82 2HE MET 82 2.370 -0.786 2.580 644 3HE MET 82 3HE MET 82 2.273 0.502 1.355 645 H GLU 83 H GLU 83 7.755 -4.045 -1.755 646 HA GLU 83 HA GLU 83 10.556 -3.359 -1.013 647 1HB GLU 83 1HB GLU 83 9.182 -6.077 -0.748 648 2HB GLU 83 2HB GLU 83 10.924 -5.813 -0.640 649 1HG GLU 83 1HG GLU 83 10.620 -4.384 1.351 650 2HG GLU 83 2HG GLU 83 8.864 -4.576 1.243 651 H LYS 84 H LYS 84 12.091 -4.206 -2.636 652 HA LYS 84 HA LYS 84 10.955 -3.944 -5.269 653 1HB LYS 84 1HB LYS 84 13.761 -4.738 -4.386 654 2HB LYS 84 2HB LYS 84 13.275 -4.393 -6.055 655 1HG LYS 84 1HG LYS 84 12.529 -2.107 -5.353 656 2HG LYS 84 2HG LYS 84 13.116 -2.435 -3.718 657 1HD LYS 84 1HD LYS 84 15.433 -2.716 -4.617 658 2HD LYS 84 2HD LYS 84 14.815 -2.406 -6.243 659 1HE LYS 84 1HE LYS 84 15.743 -0.343 -5.527 660 2HE LYS 84 2HE LYS 84 13.993 -0.150 -5.453 661 1HZ LYS 84 1HZ LYS 84 15.836 -0.585 -3.171 662 2HZ LYS 84 2HZ LYS 84 14.940 0.755 -3.462 663 3HZ LYS 84 3HZ LYS 84 14.201 -0.613 -3.015 664 H ARG 85 H ARG 85 11.898 -6.789 -3.327 665 HA ARG 85 HA ARG 85 11.493 -8.740 -5.337 666 1HB ARG 85 1HB ARG 85 10.911 -10.286 -3.487 667 2HB ARG 85 2HB ARG 85 12.422 -9.419 -3.240 668 1HG ARG 85 1HG ARG 85 11.421 -7.960 -1.586 669 2HG ARG 85 2HG ARG 85 9.798 -8.569 -1.937 670 1HD ARG 85 1HD ARG 85 10.461 -10.812 -1.139 671 2HD ARG 85 2HD ARG 85 12.072 -10.190 -0.736 672 HE ARG 85 HE ARG 85 10.774 -8.500 0.737 673 1HH1 ARG 85 1HH2 ARG 85 9.983 -11.952 0.458 674 2HH1 ARG 85 2HH2 ARG 85 9.122 -11.997 1.950 675 1HH2 ARG 85 1HH1 ARG 85 9.552 -8.495 2.559 676 2HH2 ARG 85 2HH1 ARG 85 8.929 -9.980 3.237 677 H HIS 86 H HIS 86 9.055 -6.788 -3.606 678 HA HIS 86 HA HIS 86 6.862 -8.544 -4.442 679 1HB HIS 86 1HB HIS 86 6.849 -5.750 -3.265 680 2HB HIS 86 2HB HIS 86 5.419 -6.718 -3.597 681 HD1 HIS 86 HD1 HIS 86 7.449 -9.280 -2.147 682 HD2 HIS 86 HD2 HIS 86 5.602 -5.776 -0.736 683 HE1 HIS 86 HE1 HIS 86 7.225 -9.541 0.371 684 H ILE 87 H ILE 87 8.494 -5.564 -5.674 685 HA ILE 87 HA ILE 87 6.638 -4.972 -7.739 686 HB ILE 87 HB ILE 87 9.675 -4.789 -7.932 687 1HG1 ILE 87 1HG1 ILE 87 7.810 -2.547 -7.079 688 2HG1 ILE 87 2HG1 ILE 87 8.747 -3.521 -5.941 689 1HG2 ILE 87 1HG2 ILE 87 9.309 -3.093 -9.652 690 2HG2 ILE 87 2HG2 ILE 87 8.499 -4.573 -10.115 691 3HG2 ILE 87 3HG2 ILE 87 7.553 -3.224 -9.458 692 1HD1 ILE 87 1HD1 ILE 87 10.832 -2.808 -7.305 693 2HD1 ILE 87 2HD1 ILE 87 9.772 -1.562 -8.010 694 3HD1 ILE 87 3HD1 ILE 87 10.054 -1.614 -6.263 695 H GLU 88 H GLU 88 9.497 -7.193 -7.642 696 HA GLU 88 HA GLU 88 9.226 -8.079 -10.314 697 1HB GLU 88 1HB GLU 88 10.454 -9.456 -7.887 698 2HB GLU 88 2HB GLU 88 10.600 -10.044 -9.548 699 1HG GLU 88 1HG GLU 88 11.663 -7.900 -10.218 700 2HG GLU 88 2HG GLU 88 11.580 -7.334 -8.551 701 H ARG 89 H ARG 89 7.841 -9.462 -7.282 702 HA ARG 89 HA ARG 89 6.648 -11.719 -8.605 703 1HB ARG 89 1HB ARG 89 6.023 -10.331 -5.967 704 2HB ARG 89 2HB ARG 89 5.225 -11.815 -6.520 705 1HG ARG 89 1HG ARG 89 7.354 -13.012 -6.609 706 2HG ARG 89 2HG ARG 89 8.242 -11.552 -6.156 707 1HD ARG 89 1HD ARG 89 7.037 -11.490 -3.988 708 2HD ARG 89 2HD ARG 89 6.175 -12.980 -4.441 709 HE ARG 89 HE ARG 89 9.025 -13.310 -4.646 710 1HH1 ARG 89 1HH2 ARG 89 6.411 -13.230 -2.239 711 2HH1 ARG 89 2HH2 ARG 89 7.257 -14.191 -1.085 712 1HH2 ARG 89 1HH1 ARG 89 10.148 -14.592 -3.108 713 2HH2 ARG 89 2HH1 ARG 89 9.425 -14.986 -1.597 714 H LEU 90 H LEU 90 5.401 -8.389 -7.966 715 HA LEU 90 HA LEU 90 2.779 -8.966 -8.996 716 1HB LEU 90 1HB LEU 90 4.348 -6.540 -8.264 717 2HB LEU 90 2HB LEU 90 3.202 -6.291 -9.561 718 HG LEU 90 HG LEU 90 2.279 -5.698 -7.399 719 1HD1 LEU 90 1HD1 LEU 90 0.127 -6.730 -7.668 720 2HD1 LEU 90 2HD1 LEU 90 0.818 -6.483 -9.276 721 3HD1 LEU 90 3HD1 LEU 90 0.809 -8.104 -8.560 722 1HD2 LEU 90 1HD2 LEU 90 1.732 -7.330 -5.711 723 2HD2 LEU 90 2HD2 LEU 90 2.393 -8.659 -6.681 724 3HD2 LEU 90 3HD2 LEU 90 3.464 -7.402 -6.021 725 H CYS 91 H CYS 91 5.827 -7.878 -10.575 726 HA CYS 91 HA CYS 91 4.644 -7.485 -13.153 727 1HB CYS 91 1HB CYS 91 7.502 -8.238 -12.386 728 2HB CYS 91 2HB CYS 91 6.967 -7.734 -13.998 729 HG CYS 91 HG CYS 91 6.775 -6.088 -11.135 730 H GLU 92 H GLU 92 6.030 -10.422 -11.538 731 HA GLU 92 HA GLU 92 5.650 -12.122 -13.796 732 1HB GLU 92 1HB GLU 92 5.859 -12.660 -10.812 733 2HB GLU 92 2HB GLU 92 5.659 -13.955 -11.986 734 1HG GLU 92 1HG GLU 92 7.956 -11.950 -12.047 735 2HG GLU 92 2HG GLU 92 8.030 -13.535 -11.290 736 H MET 93 H MET 93 3.426 -11.180 -11.121 737 HA MET 93 HA MET 93 1.339 -12.999 -11.848 738 1HB MET 93 1HB MET 93 1.359 -10.352 -10.348 739 2HB MET 93 2HB MET 93 -0.127 -11.227 -10.657 740 1HG MET 93 1HG MET 93 2.276 -12.365 -9.188 741 2HG MET 93 2HG MET 93 0.852 -11.681 -8.415 742 1HE MET 93 1HE MET 93 -1.595 -12.936 -10.282 743 2HE MET 93 2HE MET 93 -1.950 -14.318 -9.229 744 3HE MET 93 3HE MET 93 -1.573 -12.739 -8.513 745 H ALA 94 H ALA 94 2.081 -9.651 -12.955 746 HA ALA 94 HA ALA 94 0.161 -10.037 -15.200 747 1HB ALA 94 1HB ALA 94 -0.831 -7.837 -14.756 748 2HB ALA 94 2HB ALA 94 -1.112 -8.960 -13.411 749 3HB ALA 94 3HB ALA 94 0.124 -7.694 -13.259 750 HA PRO 95 HA PRO 95 4.267 -8.270 -16.406 751 1HB PRO 95 1HB PRO 95 4.464 -9.496 -18.885 752 2HB PRO 95 2HB PRO 95 5.012 -10.212 -17.340 753 1HG PRO 95 1HG PRO 95 2.382 -10.662 -18.776 754 2HG PRO 95 2HG PRO 95 3.478 -11.886 -18.057 755 1HD PRO 95 1HD PRO 95 1.292 -11.013 -16.728 756 2HD PRO 95 2HD PRO 95 2.821 -11.303 -15.850 757 H GLU 96 H GLU 96 1.115 -8.307 -18.065 758 HA GLU 96 HA GLU 96 1.746 -6.237 -19.953 759 1HB GLU 96 1HB GLU 96 -0.591 -6.056 -20.299 760 2HB GLU 96 2HB GLU 96 -0.206 -7.759 -20.174 761 1HG GLU 96 1HG GLU 96 -1.323 -6.196 -17.791 762 2HG GLU 96 2HG GLU 96 -2.352 -6.802 -19.069 763 H MET 97 H MET 97 1.269 -6.197 -16.510 764 HA MET 97 HA MET 97 0.527 -3.340 -16.461 765 1HB MET 97 1HB MET 97 -0.779 -5.240 -15.296 766 2HB MET 97 2HB MET 97 0.592 -5.370 -14.190 767 1HG MET 97 1HG MET 97 -1.188 -4.046 -13.234 768 2HG MET 97 2HG MET 97 0.240 -3.046 -13.475 769 1HE MET 97 1HE MET 97 -2.653 -1.907 -12.830 770 2HE MET 97 2HE MET 97 -1.213 -0.889 -13.064 771 3HE MET 97 3HE MET 97 -2.711 -0.525 -13.945 772 H ARG 98 H ARG 98 3.354 -5.145 -16.450 773 HA ARG 98 HA ARG 98 4.693 -4.537 -14.139 774 1HB ARG 98 1HB ARG 98 6.738 -5.070 -15.285 775 2HB ARG 98 2HB ARG 98 5.443 -6.112 -15.866 776 1HG ARG 98 1HG ARG 98 5.243 -4.486 -17.872 777 2HG ARG 98 2HG ARG 98 6.749 -3.758 -17.293 778 1HD ARG 98 1HD ARG 98 7.858 -5.984 -17.428 779 2HD ARG 98 2HD ARG 98 6.372 -6.689 -18.067 780 HE ARG 98 HE ARG 98 8.333 -5.043 -19.445 781 1HH1 ARG 98 1HH2 ARG 98 4.926 -6.101 -19.568 782 2HH1 ARG 98 2HH2 ARG 98 4.797 -5.882 -21.280 783 1HH2 ARG 98 1HH1 ARG 98 8.125 -4.734 -21.701 784 2HH2 ARG 98 2HH1 ARG 98 6.642 -5.073 -22.508 785 H GLY 99 H GLY 99 4.386 -2.297 -16.907 786 1HA GLY 99 1HA GLY 99 6.325 -0.404 -16.021 787 2HA GLY 99 2HA GLY 99 4.997 -0.114 -17.154 788 H LYS 100 H LYS 100 3.139 -1.093 -14.785 789 HA LYS 100 HA LYS 100 2.920 1.576 -13.467 790 1HB LYS 100 1HB LYS 100 0.849 -0.525 -14.211 791 2HB LYS 100 2HB LYS 100 0.498 0.905 -13.230 792 1HG LYS 100 1HG LYS 100 1.092 2.405 -15.040 793 2HG LYS 100 2HG LYS 100 1.628 1.056 -16.061 794 1HD LYS 100 1HD LYS 100 -0.619 0.136 -16.141 795 2HD LYS 100 2HD LYS 100 -1.211 1.384 -15.024 796 1HE LYS 100 1HE LYS 100 -0.566 3.140 -16.678 797 2HE LYS 100 2HE LYS 100 -0.048 1.876 -17.804 798 1HZ LYS 100 1HZ LYS 100 -2.348 1.074 -17.827 799 2HZ LYS 100 2HZ LYS 100 -2.811 2.253 -16.777 800 3HZ LYS 100 3HZ LYS 100 -2.290 2.641 -18.280 801 H VAL 101 H VAL 101 4.087 -1.474 -12.770 802 HA VAL 101 HA VAL 101 3.129 -1.462 -9.965 803 HB VAL 101 HB VAL 101 5.159 -3.262 -11.356 804 1HG1 VAL 101 1HG1 VAL 101 4.984 -4.688 -9.441 805 2HG1 VAL 101 2HG1 VAL 101 5.326 -3.079 -8.826 806 3HG1 VAL 101 3HG1 VAL 101 3.674 -3.706 -8.727 807 1HG2 VAL 101 1HG2 VAL 101 2.889 -3.618 -12.338 808 2HG2 VAL 101 2HG2 VAL 101 3.463 -5.007 -11.436 809 3HG2 VAL 101 3HG2 VAL 101 2.248 -3.925 -10.717 810 H MET 102 H MET 102 4.423 -0.380 -8.400 811 HA MET 102 HA MET 102 7.286 -0.205 -8.845 812 1HB MET 102 1HB MET 102 7.505 2.222 -8.767 813 2HB MET 102 2HB MET 102 6.593 1.724 -10.177 814 1HG MET 102 1HG MET 102 4.462 2.285 -8.903 815 2HG MET 102 2HG MET 102 5.491 2.930 -7.618 816 1HE MET 102 1HE MET 102 5.519 3.157 -11.668 817 2HE MET 102 2HE MET 102 3.872 3.400 -11.039 818 3HE MET 102 3HE MET 102 4.745 4.754 -11.790 819 H LEU 103 H LEU 103 8.351 1.098 -7.037 820 HA LEU 103 HA LEU 103 7.490 -0.099 -4.570 821 1HB LEU 103 1HB LEU 103 9.897 0.411 -5.514 822 2HB LEU 103 2HB LEU 103 9.624 2.045 -4.955 823 HG LEU 103 HG LEU 103 9.318 1.159 -2.618 824 1HD1 LEU 103 1HD1 LEU 103 10.111 -1.150 -2.137 825 2HD1 LEU 103 2HD1 LEU 103 8.620 -1.172 -3.078 826 3HD1 LEU 103 3HD1 LEU 103 10.172 -1.498 -3.877 827 1HD2 LEU 103 1HD2 LEU 103 11.886 0.419 -4.101 828 2HD2 LEU 103 2HD2 LEU 103 11.478 1.995 -3.389 829 3HD2 LEU 103 3HD2 LEU 103 11.743 0.597 -2.338 830 H PHE 104 H PHE 104 6.287 0.859 -2.922 831 HA PHE 104 HA PHE 104 5.031 3.330 -3.335 832 1HB PHE 104 1HB PHE 104 4.287 1.427 -1.837 833 2HB PHE 104 2HB PHE 104 5.493 1.936 -0.667 834 HD1 PHE 104 HD1 PHE 104 3.141 4.032 -2.768 835 HD2 PHE 104 HD2 PHE 104 4.191 2.672 1.188 836 HE1 PHE 104 HE1 PHE 104 1.432 5.501 -1.821 837 HE2 PHE 104 HE2 PHE 104 2.441 4.161 2.142 838 HZ PHE 104 HZ PHE 104 1.008 5.519 0.629 839 H GLY 105 H GLY 105 8.019 2.584 -1.542 840 1HA GLY 105 1HA GLY 105 8.323 5.274 -0.494 841 2HA GLY 105 2HA GLY 105 9.480 3.943 -0.391 842 H HIS 106 H HIS 106 8.370 4.657 -3.626 843 HA HIS 106 HA HIS 106 10.831 5.021 -4.780 844 1HB HIS 106 1HB HIS 106 8.949 4.573 -6.109 845 2HB HIS 106 2HB HIS 106 8.091 6.014 -5.551 846 HD1 HIS 106 HD1 HIS 106 11.241 5.204 -7.761 847 HD2 HIS 106 HD2 HIS 106 8.253 8.112 -7.049 848 HE1 HIS 106 HE1 HIS 106 11.527 6.988 -9.539 849 H TRP 107 H TRP 107 8.693 7.685 -3.599 850 HA TRP 107 HA TRP 107 10.280 9.788 -4.566 851 1HB TRP 107 1HB TRP 107 8.554 9.839 -2.063 852 2HB TRP 107 2HB TRP 107 8.966 11.198 -3.103 853 HD1 TRP 107 HD1 TRP 107 6.432 8.501 -2.631 854 HE1 TRP 107 HE1 TRP 107 4.733 8.459 -4.511 855 HE3 TRP 107 HE3 TRP 107 8.739 11.735 -5.876 856 HZ2 TRP 107 HZ2 TRP 107 4.356 9.716 -7.103 857 HZ3 TRP 107 HZ3 TRP 107 7.676 12.291 -8.047 858 HH2 TRP 107 HH2 TRP 107 5.476 11.297 -8.659 859 H ASP 108 H ASP 108 10.582 7.941 -1.544 860 HA ASP 108 HA ASP 108 12.613 9.829 -0.510 861 1HB ASP 108 1HB ASP 108 10.785 9.123 0.977 862 2HB ASP 108 2HB ASP 108 11.301 7.446 0.827 863 H ASN 109 H ASN 109 13.810 9.166 -2.496 864 HA ASN 109 HA ASN 109 15.420 8.018 -3.581 865 1HB ASN 109 1HB ASN 109 16.604 9.061 -1.664 866 2HB ASN 109 2HB ASN 109 16.457 7.546 -0.768 867 1HD2 ASN 109 2HD2 ASN 109 17.538 8.579 -4.110 868 2HD2 ASN 109 1HD2 ASN 109 18.982 7.608 -4.085 869 H GLU 110 H GLU 110 13.220 6.469 -3.538 870 HA GLU 110 HA GLU 110 12.380 4.378 -3.602 871 1HB GLU 110 1HB GLU 110 15.074 3.691 -4.818 872 2HB GLU 110 2HB GLU 110 13.503 2.925 -5.122 873 1HG GLU 110 1HG GLU 110 12.735 5.315 -5.825 874 2HG GLU 110 2HG GLU 110 14.453 5.682 -5.942 875 H CYS 111 H CYS 111 13.209 4.829 -1.040 876 HA CYS 111 HA CYS 111 14.652 2.597 0.003 877 1HB CYS 111 1HB CYS 111 13.798 3.326 2.172 878 2HB CYS 111 2HB CYS 111 14.419 4.688 1.210 879 HG CYS 111 HG CYS 111 12.315 5.758 0.563 880 H GLU 112 H GLU 112 13.990 0.602 0.730 881 HA GLU 112 HA GLU 112 11.287 -0.346 0.031 882 1HB GLU 112 1HB GLU 112 13.619 -1.700 1.469 883 2HB GLU 112 2HB GLU 112 12.090 -2.474 1.027 884 1HG GLU 112 1HG GLU 112 12.542 -1.939 -1.375 885 2HG GLU 112 2HG GLU 112 14.127 -1.306 -0.918 886 H ILE 113 H ILE 113 9.860 -1.209 1.690 887 HA ILE 113 HA ILE 113 10.056 0.376 4.203 888 HB ILE 113 HB ILE 113 7.642 -0.540 2.626 889 1HG1 ILE 113 1HG1 ILE 113 9.041 2.142 2.986 890 2HG1 ILE 113 2HG1 ILE 113 8.782 1.249 1.491 891 1HG2 ILE 113 1HG2 ILE 113 7.191 -0.563 5.072 892 2HG2 ILE 113 2HG2 ILE 113 7.721 1.135 5.173 893 3HG2 ILE 113 3HG2 ILE 113 6.284 0.683 4.237 894 1HD1 ILE 113 1HD1 ILE 113 6.305 1.641 1.765 895 2HD1 ILE 113 2HD1 ILE 113 6.716 2.756 3.100 896 3HD1 ILE 113 3HD1 ILE 113 7.294 3.082 1.462 897 HA PRO 114 HA PRO 114 10.578 -3.567 6.210 898 1HB PRO 114 1HB PRO 114 9.302 -2.307 8.612 899 2HB PRO 114 2HB PRO 114 10.863 -3.155 8.476 900 1HG PRO 114 1HG PRO 114 10.734 -0.432 8.647 901 2HG PRO 114 2HG PRO 114 11.936 -1.252 7.598 902 1HD PRO 114 1HD PRO 114 9.325 0.041 6.802 903 2HD PRO 114 2HD PRO 114 10.926 0.086 6.006 904 H ASP 115 H ASP 115 9.286 -5.083 7.759 905 HA ASP 115 HA ASP 115 6.476 -5.297 6.779 906 1HB ASP 115 1HB ASP 115 7.937 -6.807 5.567 907 2HB ASP 115 2HB ASP 115 8.590 -7.446 7.069 908 HA PRO 116 HA PRO 116 6.540 -5.306 11.324 909 1HB PRO 116 1HB PRO 116 4.195 -4.084 11.863 910 2HB PRO 116 2HB PRO 116 5.550 -3.191 11.118 911 1HG PRO 116 1HG PRO 116 3.166 -4.463 9.730 912 2HG PRO 116 2HG PRO 116 3.788 -2.796 9.533 913 1HD PRO 116 1HD PRO 116 4.463 -4.884 7.854 914 2HD PRO 116 2HD PRO 116 5.593 -3.545 8.201 915 H TYR 117 H TYR 117 4.669 -7.208 9.243 916 HA TYR 117 HA TYR 117 2.423 -8.052 10.292 917 1HB TYR 117 1HB TYR 117 3.316 -8.776 8.196 918 2HB TYR 117 2HB TYR 117 4.642 -9.630 8.973 919 HD1 TYR 117 HD1 TYR 117 0.938 -9.643 8.520 920 HD2 TYR 117 HD2 TYR 117 4.440 -11.882 9.639 921 HE1 TYR 117 HE1 TYR 117 -0.411 -11.742 8.527 922 HE2 TYR 117 HE2 TYR 117 3.116 -13.979 9.668 923 HH TYR 117 HH TYR 117 1.026 -14.939 9.360 924 H ARG 118 H ARG 118 5.544 -9.231 11.664 925 HA ARG 118 HA ARG 118 3.955 -10.486 13.852 926 1HB ARG 118 1HB ARG 118 5.459 -12.388 13.891 927 2HB ARG 118 2HB ARG 118 4.653 -12.253 12.336 928 1HG ARG 118 1HG ARG 118 6.683 -11.288 11.313 929 2HG ARG 118 2HG ARG 118 7.528 -11.342 12.864 930 1HD ARG 118 1HD ARG 118 6.419 -13.767 11.389 931 2HD ARG 118 2HD ARG 118 8.104 -13.219 11.322 932 HE ARG 118 HE ARG 118 7.527 -13.498 14.032 933 1HH1 ARG 118 1HH2 ARG 118 7.647 -15.648 11.209 934 2HH1 ARG 118 2HH2 ARG 118 8.050 -17.056 12.118 935 1HH2 ARG 118 1HH1 ARG 118 8.059 -15.376 15.249 936 2HH2 ARG 118 2HH1 ARG 118 8.294 -16.891 14.468 937 H LYS 119 H LYS 119 5.341 -7.828 13.625 938 HA LYS 119 HA LYS 119 7.609 -8.207 15.535 939 1HB LYS 119 1HB LYS 119 6.980 -5.913 13.635 940 2HB LYS 119 2HB LYS 119 8.426 -6.074 14.619 941 1HG LYS 119 1HG LYS 119 7.631 -7.878 12.289 942 2HG LYS 119 2HG LYS 119 8.846 -6.617 12.250 943 1HD LYS 119 1HD LYS 119 9.006 -9.157 13.928 944 2HD LYS 119 2HD LYS 119 9.840 -8.847 12.401 945 1HE LYS 119 1HE LYS 119 11.032 -6.921 13.435 946 2HE LYS 119 2HE LYS 119 10.242 -7.261 14.979 947 1HZ LYS 119 1HZ LYS 119 11.354 -9.423 14.993 948 2HZ LYS 119 2HZ LYS 119 12.087 -9.101 13.566 949 3HZ LYS 119 3HZ LYS 119 12.449 -8.223 14.887 950 H SER 120 H SER 120 7.981 -6.268 16.983 951 HA SER 120 HA SER 120 5.788 -5.895 18.704 952 1HB SER 120 1HB SER 120 8.256 -4.130 18.445 953 2HB SER 120 2HB SER 120 7.292 -4.422 19.905 954 HG SER 120 HG SER 120 9.203 -5.686 19.864 955 H ARG 121 H ARG 121 4.716 -3.833 19.365 956 HA ARG 121 HA ARG 121 3.544 -2.520 17.167 957 1HB ARG 121 1HB ARG 121 2.269 -1.333 18.670 958 2HB ARG 121 2HB ARG 121 2.652 -2.810 19.548 959 1HG ARG 121 1HG ARG 121 4.590 -1.415 20.625 960 2HG ARG 121 2HG ARG 121 3.770 -0.008 19.943 961 1HD ARG 121 1HD ARG 121 2.866 -1.902 22.107 962 2HD ARG 121 2HD ARG 121 2.982 -0.148 22.173 963 HE ARG 121 HE ARG 121 0.762 -1.785 21.355 964 1HH1 ARG 121 1HH2 ARG 121 2.123 1.469 20.768 965 2HH1 ARG 121 2HH2 ARG 121 0.588 2.146 20.291 966 1HH2 ARG 121 1HH1 ARG 121 -1.222 -0.848 20.762 967 2HH2 ARG 121 2HH1 ARG 121 -1.294 0.839 20.311 968 H GLU 122 H GLU 122 6.512 -1.676 18.892 969 HA GLU 122 HA GLU 122 6.754 0.996 17.947 970 1HB GLU 122 1HB GLU 122 8.136 -0.058 19.723 971 2HB GLU 122 2HB GLU 122 8.923 -1.075 18.507 972 1HG GLU 122 1HG GLU 122 9.839 0.935 17.397 973 2HG GLU 122 2HG GLU 122 8.964 1.978 18.521 974 H THR 123 H THR 123 7.346 -2.169 16.352 975 HA THR 123 HA THR 123 8.666 -0.976 14.044 976 HB THR 123 HB THR 123 7.267 -3.666 14.188 977 HG1 THR 123 1HG THR 123 9.814 -2.930 15.199 978 1HG2 THR 123 1HG2 THR 123 9.116 -4.349 12.656 979 2HG2 THR 123 2HG2 THR 123 8.103 -3.070 11.968 980 3HG2 THR 123 3HG2 THR 123 9.699 -2.672 12.637 981 H PHE 124 H PHE 124 5.265 -1.863 14.965 982 HA PHE 124 HA PHE 124 4.151 -1.228 12.378 983 1HB PHE 124 1HB PHE 124 2.987 -1.310 15.179 984 2HB PHE 124 2HB PHE 124 2.068 -0.713 13.815 985 HD1 PHE 124 HD1 PHE 124 1.106 -2.152 12.167 986 HD2 PHE 124 HD2 PHE 124 3.717 -3.763 15.204 987 HE1 PHE 124 HE1 PHE 124 0.378 -4.457 11.597 988 HE2 PHE 124 HE2 PHE 124 2.972 -6.049 14.622 989 HZ PHE 124 HZ PHE 124 1.307 -6.403 12.818 990 H ALA 125 H ALA 125 4.917 0.802 15.277 991 HA ALA 125 HA ALA 125 3.808 3.198 14.188 992 1HB ALA 125 1HB ALA 125 4.333 2.891 16.584 993 2HB ALA 125 2HB ALA 125 6.071 2.873 16.205 994 3HB ALA 125 3HB ALA 125 5.114 4.336 15.915 995 H ALA 126 H ALA 126 7.157 1.854 14.026 996 HA ALA 126 HA ALA 126 8.305 4.000 12.552 997 1HB ALA 126 1HB ALA 126 9.624 2.211 13.640 998 2HB ALA 126 2HB ALA 126 8.988 1.023 12.479 999 3HB ALA 126 3HB ALA 126 10.021 2.351 11.915 1000 H VAL 127 H VAL 127 6.729 0.956 11.391 1001 HA VAL 127 HA VAL 127 6.996 1.618 8.628 1002 HB VAL 127 HB VAL 127 5.157 -0.282 10.131 1003 1HG1 VAL 127 1HG1 VAL 127 5.487 0.070 7.114 1004 2HG1 VAL 127 2HG1 VAL 127 4.754 -1.350 7.882 1005 3HG1 VAL 127 3HG1 VAL 127 3.989 0.230 8.060 1006 1HG2 VAL 127 1HG2 VAL 127 7.652 -0.753 10.080 1007 2HG2 VAL 127 2HG2 VAL 127 6.696 -1.978 9.256 1008 3HG2 VAL 127 3HG2 VAL 127 7.563 -0.755 8.308 1009 H TYR 128 H TYR 128 4.238 2.227 10.959 1010 HA TYR 128 HA TYR 128 2.531 3.488 9.128 1011 1HB TYR 128 1HB TYR 128 1.794 3.015 11.370 1012 2HB TYR 128 2HB TYR 128 3.052 4.022 12.074 1013 HD1 TYR 128 HD1 TYR 128 -0.320 4.022 10.634 1014 HD2 TYR 128 HD2 TYR 128 2.984 6.516 11.867 1015 HE1 TYR 128 HE1 TYR 128 -1.753 6.034 10.417 1016 HE2 TYR 128 HE2 TYR 128 1.599 8.524 11.543 1017 HH TYR 128 HH TYR 128 -0.286 9.307 10.550 1018 H THR 129 H THR 129 5.325 4.940 10.924 1019 HA THR 129 HA THR 129 4.824 7.585 9.973 1020 HB THR 129 HB THR 129 7.450 6.335 10.898 1021 HG1 THR 129 1HG THR 129 5.912 5.992 12.467 1022 1HG2 THR 129 1HG2 THR 129 6.452 9.221 10.958 1023 2HG2 THR 129 2HG2 THR 129 7.956 8.630 11.702 1024 3HG2 THR 129 3HG2 THR 129 7.766 8.586 9.944 1025 H LEU 130 H LEU 130 6.920 4.940 8.701 1026 HA LEU 130 HA LEU 130 8.011 6.526 6.576 1027 1HB LEU 130 1HB LEU 130 9.049 4.516 7.543 1028 2HB LEU 130 2HB LEU 130 7.738 3.510 6.927 1029 HG LEU 130 HG LEU 130 8.437 3.824 4.651 1030 1HD1 LEU 130 1HD1 LEU 130 10.472 5.177 4.064 1031 2HD1 LEU 130 2HD1 LEU 130 9.131 6.182 4.599 1032 3HD1 LEU 130 3HD1 LEU 130 10.479 5.839 5.713 1033 1HD2 LEU 130 1HD2 LEU 130 9.657 2.187 6.050 1034 2HD2 LEU 130 2HD2 LEU 130 10.675 2.828 4.745 1035 3HD2 LEU 130 3HD2 LEU 130 10.888 3.404 6.414 1036 H LEU 131 H LEU 131 5.168 4.372 6.800 1037 HA LEU 131 HA LEU 131 4.378 4.583 4.040 1038 1HB LEU 131 1HB LEU 131 2.779 4.029 6.578 1039 2HB LEU 131 2HB LEU 131 2.103 3.959 4.958 1040 HG LEU 131 HG LEU 131 4.344 2.151 5.959 1041 1HD1 LEU 131 1HD1 LEU 131 2.627 0.414 5.978 1042 2HD1 LEU 131 2HD1 LEU 131 2.151 1.738 7.046 1043 3HD1 LEU 131 3HD1 LEU 131 1.401 1.577 5.436 1044 1HD2 LEU 131 1HD2 LEU 131 4.538 2.440 3.569 1045 2HD2 LEU 131 2HD2 LEU 131 3.878 0.843 3.923 1046 3HD2 LEU 131 3HD2 LEU 131 2.810 2.140 3.349 1047 H GLU 132 H GLU 132 3.710 6.589 6.968 1048 HA GLU 132 HA GLU 132 1.737 8.220 5.737 1049 1HB GLU 132 1HB GLU 132 2.062 8.086 8.155 1050 2HB GLU 132 2HB GLU 132 3.664 8.822 8.021 1051 1HG GLU 132 1HG GLU 132 2.667 10.914 7.207 1052 2HG GLU 132 2HG GLU 132 1.067 10.169 7.207 1053 H ARG 133 H ARG 133 5.330 8.653 5.964 1054 HA ARG 133 HA ARG 133 5.392 11.064 4.423 1055 1HB ARG 133 1HB ARG 133 7.445 8.815 4.724 1056 2HB ARG 133 2HB ARG 133 7.746 10.326 3.849 1057 1HG ARG 133 1HG ARG 133 7.256 11.628 5.902 1058 2HG ARG 133 2HG ARG 133 6.948 10.119 6.774 1059 1HD ARG 133 1HD ARG 133 9.180 10.964 7.283 1060 2HD ARG 133 2HD ARG 133 9.262 9.409 6.460 1061 HE ARG 133 HE ARG 133 9.773 12.088 5.212 1062 1HH1 ARG 133 1HH2 ARG 133 10.543 8.621 5.372 1063 2HH1 ARG 133 2HH2 ARG 133 11.773 8.693 4.148 1064 1HH2 ARG 133 1HH1 ARG 133 11.458 12.190 3.648 1065 2HH2 ARG 133 2HH1 ARG 133 12.305 10.754 3.167 1066 H SER 134 H SER 134 5.666 7.640 3.417 1067 HA SER 134 HA SER 134 6.046 8.151 0.666 1068 1HB SER 134 1HB SER 134 4.672 5.754 1.950 1069 2HB SER 134 2HB SER 134 5.384 5.818 0.327 1070 HG SER 134 HG SER 134 6.684 5.968 2.856 1071 H ALA 135 H ALA 135 2.982 7.657 2.492 1072 HA ALA 135 HA ALA 135 1.254 7.863 0.237 1073 1HB ALA 135 1HB ALA 135 -0.500 8.242 1.945 1074 2HB ALA 135 2HB ALA 135 0.558 6.899 2.423 1075 3HB ALA 135 3HB ALA 135 0.746 8.494 3.183 1076 H ARG 136 H ARG 136 2.482 10.344 2.576 1077 HA ARG 136 HA ARG 136 0.863 12.455 1.529 1078 1HB ARG 136 1HB ARG 136 2.057 12.411 3.748 1079 2HB ARG 136 2HB ARG 136 3.586 12.667 2.898 1080 1HG ARG 136 1HG ARG 136 2.751 14.832 2.034 1081 2HG ARG 136 2HG ARG 136 1.166 14.530 2.779 1082 1HD ARG 136 1HD ARG 136 2.237 14.474 5.018 1083 2HD ARG 136 2HD ARG 136 3.810 14.817 4.266 1084 HE ARG 136 HE ARG 136 2.014 16.817 3.425 1085 1HH1 ARG 136 1HH2 ARG 136 3.531 15.763 6.458 1086 2HH1 ARG 136 2HH2 ARG 136 3.497 17.326 7.185 1087 1HH2 ARG 136 1HH1 ARG 136 1.967 18.903 4.393 1088 2HH2 ARG 136 2HH1 ARG 136 2.587 19.148 5.981 1089 H GLN 137 H GLN 137 4.205 11.349 0.715 1090 HA GLN 137 HA GLN 137 4.711 13.341 -1.241 1091 1HB GLN 137 1HB GLN 137 5.734 10.487 -0.979 1092 2HB GLN 137 2HB GLN 137 6.391 11.672 -2.105 1093 1HG GLN 137 1HG GLN 137 6.321 12.225 0.887 1094 2HG GLN 137 2HG GLN 137 7.596 11.272 0.140 1095 1HE2 GLN 137 2HE2 GLN 137 9.013 12.953 1.036 1096 2HE2 GLN 137 1HE2 GLN 137 9.220 14.452 0.157 1097 H TRP 138 H TRP 138 3.279 10.019 -1.583 1098 HA TRP 138 HA TRP 138 2.883 10.190 -4.374 1099 1HB TRP 138 1HB TRP 138 1.788 8.514 -2.143 1100 2HB TRP 138 2HB TRP 138 0.823 8.596 -3.611 1101 HD1 TRP 138 HD1 TRP 138 3.844 6.861 -2.273 1102 HE1 TRP 138 HE1 TRP 138 5.079 5.606 -4.100 1103 HE3 TRP 138 HE3 TRP 138 1.368 8.779 -6.295 1104 HZ2 TRP 138 HZ2 TRP 138 5.017 5.476 -7.043 1105 HZ3 TRP 138 HZ3 TRP 138 2.019 8.150 -8.603 1106 HH2 TRP 138 HH2 TRP 138 3.835 6.505 -8.983 1107 H ALA 139 H ALA 139 0.672 11.215 -1.705 1108 HA ALA 139 HA ALA 139 -1.422 12.024 -3.463 1109 1HB ALA 139 1HB ALA 139 -0.670 13.007 -0.674 1110 2HB ALA 139 2HB ALA 139 -2.207 13.330 -1.502 1111 3HB ALA 139 3HB ALA 139 -1.769 11.662 -1.066 1112 H GLN 140 H GLN 140 1.356 13.831 -2.061 1113 HA GLN 140 HA GLN 140 0.753 16.393 -3.029 1114 1HB GLN 140 1HB GLN 140 2.442 15.786 -1.334 1115 2HB GLN 140 2HB GLN 140 3.459 15.050 -2.565 1116 1HG GLN 140 1HG GLN 140 2.730 17.995 -2.367 1117 2HG GLN 140 2HG GLN 140 4.222 17.262 -1.775 1118 1HE2 GLN 140 2HE2 GLN 140 3.440 19.303 -4.077 1119 2HE2 GLN 140 1HE2 GLN 140 4.428 18.739 -5.400 1120 H ALA 141 H ALA 141 2.600 13.705 -4.596 1121 HA ALA 141 HA ALA 141 3.156 15.123 -7.004 1122 1HB ALA 141 1HB ALA 141 3.589 12.861 -7.918 1123 2HB ALA 141 2HB ALA 141 4.365 13.100 -6.339 1124 3HB ALA 141 3HB ALA 141 2.884 12.128 -6.464 1125 H LEU 142 H LEU 142 0.634 12.606 -6.354 1126 HA LEU 142 HA LEU 142 -0.558 12.717 -8.886 1127 1HB LEU 142 1HB LEU 142 -1.680 11.994 -6.155 1128 2HB LEU 142 2HB LEU 142 -2.624 11.800 -7.625 1129 HG LEU 142 HG LEU 142 0.092 10.477 -7.242 1130 1HD1 LEU 142 1HD1 LEU 142 -1.456 9.671 -5.507 1131 2HD1 LEU 142 2HD1 LEU 142 -2.683 9.320 -6.744 1132 3HD1 LEU 142 3HD1 LEU 142 -1.157 8.410 -6.712 1133 1HD2 LEU 142 1HD2 LEU 142 -2.178 9.899 -9.194 1134 2HD2 LEU 142 2HD2 LEU 142 -0.616 10.648 -9.602 1135 3HD2 LEU 142 3HD2 LEU 142 -0.669 8.976 -9.044 1136 H ASN 143 H ASN 143 -1.276 14.714 -6.031 1137 HA ASN 143 HA ASN 143 -3.611 15.971 -6.945 1138 1HB ASN 143 1HB ASN 143 -2.821 16.036 -4.632 1139 2HB ASN 143 2HB ASN 143 -1.402 16.973 -5.112 1140 1HD2 ASN 143 2HD2 ASN 143 -1.619 19.125 -4.588 1141 2HD2 ASN 143 1HD2 ASN 143 -3.120 20.011 -4.596 1142 H ALA 144 H ALA 144 -0.337 16.469 -8.162 1143 HA ALA 144 HA ALA 144 -1.393 18.627 -9.844 1144 1HB ALA 144 1HB ALA 144 0.456 20.138 -9.325 1145 2HB ALA 144 2HB ALA 144 -0.452 19.747 -7.854 1146 3HB ALA 144 3HB ALA 144 1.118 18.953 -8.165 1147 H GLU 145 H GLU 145 -0.555 15.881 -10.172 1148 HA GLU 145 HA GLU 145 0.925 16.295 -12.687 1149 1HB GLU 145 1HB GLU 145 1.690 14.132 -10.663 1150 2HB GLU 145 2HB GLU 145 2.261 14.223 -12.332 1151 1HG GLU 145 1HG GLU 145 3.247 16.477 -11.847 1152 2HG GLU 145 2HG GLU 145 2.811 16.270 -10.149 1153 H GLN 146 H GLN 146 -1.796 16.102 -11.958 1154 HA GLN 146 HA GLN 146 -2.804 13.524 -12.785 1155 1HB GLN 146 1HB GLN 146 -4.964 14.590 -12.776 1156 2HB GLN 146 2HB GLN 146 -4.092 15.031 -11.301 1157 1HG GLN 146 1HG GLN 146 -4.178 16.929 -13.677 1158 2HG GLN 146 2HG GLN 146 -5.497 16.823 -12.522 1159 1HE2 GLN 146 2HE2 GLN 146 -5.207 17.539 -10.347 1160 2HE2 GLN 146 1HE2 GLN 146 -3.746 18.309 -9.784 1161 H VAL 147 H VAL 147 -3.811 13.128 -14.799 1162 HA VAL 147 HA VAL 147 -2.955 14.642 -17.155 1163 HB VAL 147 HB VAL 147 -1.976 12.419 -18.020 1164 1HG1 VAL 147 1HG1 VAL 147 -0.606 14.431 -17.490 1165 2HG1 VAL 147 2HG1 VAL 147 -0.383 13.822 -15.835 1166 3HG1 VAL 147 3HG1 VAL 147 0.257 12.911 -17.213 1167 1HG2 VAL 147 1HG2 VAL 147 -1.651 11.806 -15.031 1168 2HG2 VAL 147 2HG2 VAL 147 -2.704 10.923 -16.163 1169 3HG2 VAL 147 3HG2 VAL 147 -0.952 10.897 -16.386 Start of MODEL 20 1 H MET 1 H MET 1 -5.255 9.383 -15.945 2 HA MET 1 HA MET 1 -4.409 10.551 -14.055 3 1HB MET 1 1HB MET 1 -6.520 11.985 -13.899 4 2HB MET 1 2HB MET 1 -7.290 10.657 -13.041 5 1HG MET 1 1HG MET 1 -4.683 11.948 -12.139 6 2HG MET 1 2HG MET 1 -6.265 12.590 -11.714 7 1HE MET 1 1HE MET 1 -4.994 11.225 -8.301 8 2HE MET 1 2HE MET 1 -3.988 11.928 -9.594 9 3HE MET 1 3HE MET 1 -5.570 12.642 -9.201 10 H PHE 2 H PHE 2 -3.658 9.199 -12.384 11 HA PHE 2 HA PHE 2 -4.292 6.395 -12.507 12 1HB PHE 2 1HB PHE 2 -2.588 7.895 -10.481 13 2HB PHE 2 2HB PHE 2 -2.483 6.199 -10.907 14 HD1 PHE 2 HD1 PHE 2 -1.326 9.550 -11.637 15 HD2 PHE 2 HD2 PHE 2 -1.672 5.574 -13.281 16 HE1 PHE 2 HE1 PHE 2 0.387 10.106 -13.326 17 HE2 PHE 2 HE2 PHE 2 0.067 6.130 -14.966 18 HZ PHE 2 HZ PHE 2 1.099 8.395 -14.996 19 H ASN 3 H ASN 3 -6.714 7.597 -11.820 20 HA ASN 3 HA ASN 3 -7.007 8.220 -9.088 21 1HB ASN 3 1HB ASN 3 -8.535 9.027 -10.856 22 2HB ASN 3 2HB ASN 3 -9.177 7.389 -11.044 23 1HD2 ASN 3 2HD2 ASN 3 -8.721 10.004 -8.561 24 2HD2 ASN 3 1HD2 ASN 3 -10.108 9.550 -7.595 25 H ASN 4 H ASN 4 -6.989 5.046 -10.561 26 HA ASN 4 HA ASN 4 -8.363 3.884 -8.168 27 1HB ASN 4 1HB ASN 4 -9.592 3.673 -10.358 28 2HB ASN 4 2HB ASN 4 -8.205 2.788 -11.008 29 1HD2 ASN 4 2HD2 ASN 4 -9.312 0.753 -11.287 30 2HD2 ASN 4 1HD2 ASN 4 -9.857 -0.165 -9.915 31 H ILE 5 H ILE 5 -6.890 2.984 -6.831 32 HA ILE 5 HA ILE 5 -4.380 1.860 -8.019 33 HB ILE 5 HB ILE 5 -4.834 3.512 -5.508 34 1HG1 ILE 5 1HG1 ILE 5 -3.571 4.240 -8.180 35 2HG1 ILE 5 2HG1 ILE 5 -5.031 4.912 -7.458 36 1HG2 ILE 5 1HG2 ILE 5 -2.164 2.512 -6.574 37 2HG2 ILE 5 2HG2 ILE 5 -2.410 3.576 -5.168 38 3HG2 ILE 5 3HG2 ILE 5 -2.983 1.942 -5.098 39 1HD1 ILE 5 1HD1 ILE 5 -2.193 5.383 -6.539 40 2HD1 ILE 5 2HD1 ILE 5 -3.375 6.544 -7.158 41 3HD1 ILE 5 3HD1 ILE 5 -3.639 5.783 -5.571 42 H LEU 6 H LEU 6 -3.401 0.130 -6.959 43 HA LEU 6 HA LEU 6 -4.941 -1.148 -4.720 44 1HB LEU 6 1HB LEU 6 -5.041 -2.406 -6.912 45 2HB LEU 6 2HB LEU 6 -3.287 -2.524 -6.873 46 HG LEU 6 HG LEU 6 -3.445 -3.844 -4.758 47 1HD1 LEU 6 1HD1 LEU 6 -5.711 -4.792 -4.167 48 2HD1 LEU 6 2HD1 LEU 6 -5.543 -3.076 -3.829 49 3HD1 LEU 6 3HD1 LEU 6 -6.443 -3.607 -5.260 50 1HD2 LEU 6 1HD2 LEU 6 -4.296 -5.896 -5.828 51 2HD2 LEU 6 2HD2 LEU 6 -5.081 -4.929 -7.092 52 3HD2 LEU 6 3HD2 LEU 6 -3.311 -4.954 -6.956 53 H VAL 7 H VAL 7 -3.678 -1.651 -2.926 54 HA VAL 7 HA VAL 7 -0.729 -1.340 -3.215 55 HB VAL 7 HB VAL 7 -2.277 -1.074 -0.622 56 1HG1 VAL 7 1HG1 VAL 7 -0.160 0.088 0.057 57 2HG1 VAL 7 2HG1 VAL 7 0.112 -1.599 -0.379 58 3HG1 VAL 7 3HG1 VAL 7 0.548 -0.302 -1.515 59 1HG2 VAL 7 1HG2 VAL 7 -1.959 1.386 -0.822 60 2HG2 VAL 7 2HG2 VAL 7 -1.393 1.173 -2.495 61 3HG2 VAL 7 3HG2 VAL 7 -3.060 0.759 -2.043 62 H VAL 8 H VAL 8 0.557 -3.058 -2.491 63 HA VAL 8 HA VAL 8 -0.933 -5.514 -1.705 64 HB VAL 8 HB VAL 8 1.330 -5.483 -3.708 65 1HG1 VAL 8 1HG1 VAL 8 0.746 -7.650 -2.654 66 2HG1 VAL 8 2HG1 VAL 8 -0.951 -7.440 -3.151 67 3HG1 VAL 8 3HG1 VAL 8 0.322 -7.661 -4.358 68 1HG2 VAL 8 1HG2 VAL 8 -0.308 -5.626 -5.545 69 2HG2 VAL 8 2HG2 VAL 8 -1.630 -5.292 -4.400 70 3HG2 VAL 8 3HG2 VAL 8 -0.388 -4.065 -4.752 71 H CYS 9 H CYS 9 0.047 -6.815 -0.171 72 HA CYS 9 HA CYS 9 2.967 -6.728 0.076 73 1HB CYS 9 1HB CYS 9 2.974 -6.379 2.523 74 2HB CYS 9 2HB CYS 9 2.407 -4.955 1.632 75 HG CYS 9 HG CYS 9 -0.096 -5.325 1.996 76 H VAL 10 H VAL 10 3.464 -8.435 2.153 77 HA VAL 10 HA VAL 10 2.004 -10.894 1.315 78 HB VAL 10 HB VAL 10 3.520 -11.934 3.097 79 1HG1 VAL 10 1HG1 VAL 10 4.683 -10.738 0.554 80 2HG1 VAL 10 2HG1 VAL 10 5.433 -12.052 1.494 81 3HG1 VAL 10 3HG1 VAL 10 3.858 -12.296 0.730 82 1HG2 VAL 10 1HG2 VAL 10 5.600 -10.838 3.662 83 2HG2 VAL 10 2HG2 VAL 10 5.176 -9.392 2.735 84 3HG2 VAL 10 3HG2 VAL 10 4.272 -9.811 4.209 85 H GLY 11 H GLY 11 0.572 -11.939 2.802 86 1HA GLY 11 1HA GLY 11 -0.841 -12.122 4.604 87 2HA GLY 11 2HA GLY 11 0.065 -10.852 5.429 88 H ASN 12 H ASN 12 -0.396 -8.849 3.215 89 HA ASN 12 HA ASN 12 -1.850 -7.282 2.519 90 1HB ASN 12 1HB ASN 12 -3.291 -9.038 1.648 91 2HB ASN 12 2HB ASN 12 -4.098 -9.193 3.201 92 1HD2 ASN 12 2HD2 ASN 12 -4.138 -5.991 3.390 93 2HD2 ASN 12 1HD2 ASN 12 -5.670 -5.778 2.573 94 H ILE 13 H ILE 13 -3.001 -8.770 5.579 95 HA ILE 13 HA ILE 13 -4.527 -6.681 6.457 96 HB ILE 13 HB ILE 13 -4.437 -7.739 8.649 97 1HG1 ILE 13 1HG1 ILE 13 -2.245 -9.567 7.559 98 2HG1 ILE 13 2HG1 ILE 13 -1.942 -8.217 8.650 99 1HG2 ILE 13 1HG2 ILE 13 -4.460 -9.896 6.494 100 2HG2 ILE 13 2HG2 ILE 13 -5.394 -9.817 7.998 101 3HG2 ILE 13 3HG2 ILE 13 -5.748 -8.690 6.698 102 1HD1 ILE 13 1HD1 ILE 13 -3.453 -9.257 10.347 103 2HD1 ILE 13 2HD1 ILE 13 -3.651 -10.657 9.278 104 3HD1 ILE 13 3HD1 ILE 13 -2.052 -10.268 9.932 105 H CYS 14 H CYS 14 -1.205 -6.101 6.190 106 HA CYS 14 HA CYS 14 -1.251 -4.277 8.562 107 1HB CYS 14 1HB CYS 14 1.259 -4.619 8.538 108 2HB CYS 14 2HB CYS 14 0.272 -5.992 9.051 109 HG CYS 14 HG CYS 14 2.340 -6.842 7.679 110 H ARG 15 H ARG 15 0.973 -4.418 5.721 111 HA ARG 15 HA ARG 15 1.150 -1.561 5.885 112 1HB ARG 15 1HB ARG 15 2.241 -3.463 3.765 113 2HB ARG 15 2HB ARG 15 2.645 -1.749 3.924 114 1HG ARG 15 1HG ARG 15 3.460 -2.168 6.252 115 2HG ARG 15 2HG ARG 15 3.214 -3.898 6.016 116 1HD ARG 15 1HD ARG 15 5.085 -2.149 4.357 117 2HD ARG 15 2HD ARG 15 5.565 -3.148 5.731 118 HE ARG 15 HE ARG 15 4.167 -4.681 3.721 119 1HH1 ARG 15 1HH2 ARG 15 7.423 -3.466 4.668 120 2HH1 ARG 15 2HH2 ARG 15 8.222 -4.649 3.673 121 1HH2 ARG 15 1HH1 ARG 15 5.461 -6.245 2.384 122 2HH2 ARG 15 2HH1 ARG 15 7.177 -6.174 2.570 123 H SER 16 H SER 16 -0.513 -3.673 3.455 124 HA SER 16 HA SER 16 -1.198 -1.608 1.730 125 1HB SER 16 1HB SER 16 -2.873 -4.066 2.277 126 2HB SER 16 2HB SER 16 -2.871 -3.042 0.823 127 HG SER 16 HG SER 16 -1.629 -4.891 0.519 128 HA PRO 17 HA PRO 17 -5.381 -0.785 3.857 129 1HB PRO 17 1HB PRO 17 -5.727 -1.349 6.558 130 2HB PRO 17 2HB PRO 17 -6.253 -2.389 5.207 131 1HG PRO 17 1HG PRO 17 -3.729 -2.608 6.847 132 2HG PRO 17 2HG PRO 17 -4.850 -3.913 6.341 133 1HD PRO 17 1HD PRO 17 -2.562 -3.460 4.987 134 2HD PRO 17 2HD PRO 17 -4.074 -3.851 4.113 135 H THR 18 H THR 18 -2.409 -0.595 5.835 136 HA THR 18 HA THR 18 -3.065 1.876 7.147 137 HB THR 18 HB THR 18 -0.352 0.642 6.487 138 HG1 THR 18 1HG THR 18 -1.303 -0.824 7.727 139 1HG2 THR 18 1HG2 THR 18 -0.085 2.962 7.206 140 2HG2 THR 18 2HG2 THR 18 -1.192 2.702 8.571 141 3HG2 THR 18 3HG2 THR 18 0.393 1.886 8.523 142 H ALA 19 H ALA 19 -1.194 1.096 4.132 143 HA ALA 19 HA ALA 19 -0.720 3.797 3.359 144 1HB ALA 19 1HB ALA 19 -0.572 2.738 1.038 145 2HB ALA 19 2HB ALA 19 0.514 2.048 2.278 146 3HB ALA 19 3HB ALA 19 -0.978 1.197 1.807 147 H GLU 20 H GLU 20 -3.395 1.527 2.504 148 HA GLU 20 HA GLU 20 -4.745 3.167 0.687 149 1HB GLU 20 1HB GLU 20 -5.234 0.841 0.949 150 2HB GLU 20 2HB GLU 20 -5.687 1.033 2.636 151 1HG GLU 20 1HG GLU 20 -7.313 2.624 0.701 152 2HG GLU 20 2HG GLU 20 -7.421 0.876 0.535 153 H ARG 21 H ARG 21 -5.270 2.945 4.261 154 HA ARG 21 HA ARG 21 -7.215 5.045 4.237 155 1HB ARG 21 1HB ARG 21 -5.531 3.697 6.383 156 2HB ARG 21 2HB ARG 21 -6.490 5.110 6.770 157 1HG ARG 21 1HG ARG 21 -7.618 2.523 5.634 158 2HG ARG 21 2HG ARG 21 -7.688 3.080 7.310 159 1HD ARG 21 1HD ARG 21 -8.881 5.178 6.440 160 2HD ARG 21 2HD ARG 21 -9.099 4.315 4.917 161 HE ARG 21 HE ARG 21 -10.331 3.765 7.550 162 1HH1 ARG 21 1HH2 ARG 21 -9.766 2.413 4.268 163 2HH1 ARG 21 2HH2 ARG 21 -11.187 1.432 4.324 164 1HH2 ARG 21 1HH1 ARG 21 -12.326 2.685 7.461 165 2HH2 ARG 21 2HH1 ARG 21 -12.627 1.515 6.210 166 H LEU 22 H LEU 22 -3.653 5.151 4.658 167 HA LEU 22 HA LEU 22 -3.635 7.929 5.392 168 1HB LEU 22 1HB LEU 22 -1.575 6.076 4.161 169 2HB LEU 22 2HB LEU 22 -1.237 7.783 4.444 170 HG LEU 22 HG LEU 22 -2.260 6.044 6.717 171 1HD1 LEU 22 1HD1 LEU 22 0.605 6.404 5.790 172 2HD1 LEU 22 2HD1 LEU 22 0.134 5.735 7.373 173 3HD1 LEU 22 3HD1 LEU 22 -0.302 4.895 5.874 174 1HD2 LEU 22 1HD2 LEU 22 -1.076 7.732 8.083 175 2HD2 LEU 22 2HD2 LEU 22 -0.575 8.588 6.619 176 3HD2 LEU 22 3HD2 LEU 22 -2.291 8.500 7.053 177 H LEU 23 H LEU 23 -3.676 6.289 2.166 178 HA LEU 23 HA LEU 23 -3.549 8.812 0.761 179 1HB LEU 23 1HB LEU 23 -4.427 6.021 -0.022 180 2HB LEU 23 2HB LEU 23 -4.921 7.386 -1.001 181 HG LEU 23 HG LEU 23 -3.037 6.511 -2.055 182 1HD1 LEU 23 1HD1 LEU 23 -1.849 8.888 -0.581 183 2HD1 LEU 23 2HD1 LEU 23 -1.535 8.328 -2.228 184 3HD1 LEU 23 3HD1 LEU 23 -3.104 9.042 -1.833 185 1HD2 LEU 23 1HD2 LEU 23 -1.547 6.622 0.578 186 2HD2 LEU 23 2HD2 LEU 23 -2.054 5.166 -0.296 187 3HD2 LEU 23 3HD2 LEU 23 -0.831 6.234 -1.003 188 H GLN 24 H GLN 24 -6.326 6.980 2.204 189 HA GLN 24 HA GLN 24 -8.284 8.747 1.083 190 1HB GLN 24 1HB GLN 24 -8.436 7.211 3.717 191 2HB GLN 24 2HB GLN 24 -9.765 8.031 2.918 192 1HG GLN 24 1HG GLN 24 -8.312 5.554 1.954 193 2HG GLN 24 2HG GLN 24 -9.981 5.698 2.461 194 1HE2 GLN 24 2HE2 GLN 24 -7.791 5.939 -0.194 195 2HE2 GLN 24 1HE2 GLN 24 -8.905 6.607 -1.395 196 H ARG 25 H ARG 25 -6.289 8.993 4.072 197 HA ARG 25 HA ARG 25 -7.507 11.341 5.065 198 1HB ARG 25 1HB ARG 25 -5.992 10.060 6.442 199 2HB ARG 25 2HB ARG 25 -4.658 10.297 5.314 200 1HG ARG 25 1HG ARG 25 -4.629 12.713 5.791 201 2HG ARG 25 2HG ARG 25 -5.971 12.529 6.926 202 1HD ARG 25 1HD ARG 25 -3.346 11.007 7.200 203 2HD ARG 25 2HD ARG 25 -3.551 12.646 7.832 204 HE ARG 25 HE ARG 25 -5.671 11.433 8.952 205 1HH1 ARG 25 1HH2 ARG 25 -2.235 10.530 8.875 206 2HH1 ARG 25 2HH2 ARG 25 -2.294 9.652 10.365 207 1HH2 ARG 25 1HH1 ARG 25 -5.665 10.517 11.082 208 2HH2 ARG 25 2HH1 ARG 25 -4.198 9.936 11.764 209 H TYR 26 H TYR 26 -4.596 11.061 2.911 210 HA TYR 26 HA TYR 26 -4.572 13.962 2.707 211 1HB TYR 26 1HB TYR 26 -2.751 11.868 1.491 212 2HB TYR 26 2HB TYR 26 -2.472 13.610 1.464 213 HD1 TYR 26 HD1 TYR 26 -1.544 10.702 3.162 214 HD2 TYR 26 HD2 TYR 26 -2.754 14.775 3.925 215 HE1 TYR 26 HE1 TYR 26 -0.576 10.567 5.433 216 HE2 TYR 26 HE2 TYR 26 -1.810 14.638 6.201 217 HH TYR 26 HH TYR 26 -0.776 13.283 7.787 218 H HIS 27 H HIS 27 -5.923 11.473 0.655 219 HA HIS 27 HA HIS 27 -6.571 13.490 -1.399 220 1HB HIS 27 1HB HIS 27 -4.357 12.126 -1.769 221 2HB HIS 27 2HB HIS 27 -5.401 10.785 -2.155 222 HD1 HIS 27 HD1 HIS 27 -7.228 13.558 -3.655 223 HD2 HIS 27 HD2 HIS 27 -3.561 11.621 -4.374 224 HE1 HIS 27 HE1 HIS 27 -6.528 14.188 -6.020 225 HA PRO 28 HA PRO 28 -9.798 10.524 0.255 226 1HB PRO 28 1HB PRO 28 -11.942 12.283 0.459 227 2HB PRO 28 2HB PRO 28 -10.703 12.020 1.717 228 1HG PRO 28 1HG PRO 28 -10.790 14.191 -0.394 229 2HG PRO 28 2HG PRO 28 -10.462 14.363 1.361 230 1HD PRO 28 1HD PRO 28 -8.441 14.283 -0.433 231 2HD PRO 28 2HD PRO 28 -8.292 13.425 1.132 232 H GLU 29 H GLU 29 -9.811 12.466 -2.665 233 HA GLU 29 HA GLU 29 -12.146 11.005 -3.761 234 1HB GLU 29 1HB GLU 29 -11.894 12.432 -5.708 235 2HB GLU 29 2HB GLU 29 -12.085 13.363 -4.236 236 1HG GLU 29 1HG GLU 29 -9.338 12.846 -5.449 237 2HG GLU 29 2HG GLU 29 -10.375 14.148 -6.010 238 H LEU 30 H LEU 30 -8.945 10.244 -3.299 239 HA LEU 30 HA LEU 30 -8.477 8.921 -5.884 240 1HB LEU 30 1HB LEU 30 -6.710 10.093 -4.439 241 2HB LEU 30 2HB LEU 30 -6.909 8.774 -3.280 242 HG LEU 30 HG LEU 30 -6.229 7.178 -5.162 243 1HD1 LEU 30 1HD1 LEU 30 -5.394 9.807 -6.484 244 2HD1 LEU 30 2HD1 LEU 30 -5.024 8.171 -7.073 245 3HD1 LEU 30 3HD1 LEU 30 -6.690 8.746 -7.056 246 1HD2 LEU 30 1HD2 LEU 30 -4.688 7.815 -3.393 247 2HD2 LEU 30 2HD2 LEU 30 -3.792 7.862 -4.917 248 3HD2 LEU 30 3HD2 LEU 30 -4.338 9.367 -4.175 249 H LYS 31 H LYS 31 -8.824 6.691 -6.200 250 HA LYS 31 HA LYS 31 -10.350 5.318 -4.026 251 1HB LYS 31 1HB LYS 31 -11.476 5.388 -6.201 252 2HB LYS 31 2HB LYS 31 -10.035 4.785 -7.010 253 1HG LYS 31 1HG LYS 31 -11.717 3.047 -6.805 254 2HG LYS 31 2HG LYS 31 -10.254 2.604 -5.927 255 1HD LYS 31 1HD LYS 31 -11.291 3.028 -3.789 256 2HD LYS 31 2HD LYS 31 -12.691 3.817 -4.555 257 1HE LYS 31 1HE LYS 31 -13.380 1.735 -5.595 258 2HE LYS 31 2HE LYS 31 -11.920 0.905 -5.042 259 1HZ LYS 31 1HZ LYS 31 -13.964 0.498 -3.703 260 2HZ LYS 31 2HZ LYS 31 -12.681 0.972 -2.821 261 3HZ LYS 31 3HZ LYS 31 -13.907 2.033 -3.160 262 H VAL 32 H VAL 32 -9.143 3.906 -2.824 263 HA VAL 32 HA VAL 32 -6.818 2.586 -4.094 264 HB VAL 32 HB VAL 32 -6.707 3.824 -1.316 265 1HG1 VAL 32 1HG1 VAL 32 -4.577 2.603 -3.132 266 2HG1 VAL 32 2HG1 VAL 32 -4.261 3.384 -1.571 267 3HG1 VAL 32 3HG1 VAL 32 -5.215 1.897 -1.633 268 1HG2 VAL 32 1HG2 VAL 32 -5.070 5.443 -2.342 269 2HG2 VAL 32 2HG2 VAL 32 -5.617 4.931 -3.937 270 3HG2 VAL 32 3HG2 VAL 32 -6.745 5.719 -2.812 271 H GLU 33 H GLU 33 -6.708 0.467 -3.588 272 HA GLU 33 HA GLU 33 -8.338 -0.585 -1.302 273 1HB GLU 33 1HB GLU 33 -8.104 -1.596 -4.170 274 2HB GLU 33 2HB GLU 33 -8.638 -2.625 -2.860 275 1HG GLU 33 1HG GLU 33 -10.041 -0.118 -3.843 276 2HG GLU 33 2HG GLU 33 -10.540 -1.803 -4.060 277 H SER 34 H SER 34 -7.575 -3.015 -1.017 278 HA SER 34 HA SER 34 -4.590 -3.075 -1.061 279 1HB SER 34 1HB SER 34 -6.482 -3.983 1.120 280 2HB SER 34 2HB SER 34 -4.741 -4.193 1.134 281 HG SER 34 HG SER 34 -6.017 -1.652 0.953 282 H ALA 35 H ALA 35 -3.674 -5.121 -1.272 283 HA ALA 35 HA ALA 35 -5.337 -7.522 -1.167 284 1HB ALA 35 1HB ALA 35 -3.710 -6.828 -3.657 285 2HB ALA 35 2HB ALA 35 -4.520 -8.380 -3.333 286 3HB ALA 35 3HB ALA 35 -5.491 -6.932 -3.560 287 H GLY 36 H GLY 36 -3.672 -9.468 -1.500 288 1HA GLY 36 1HA GLY 36 -0.909 -8.653 -1.033 289 2HA GLY 36 2HA GLY 36 -1.624 -9.673 0.221 290 H LEU 37 H LEU 37 0.663 -10.275 -1.225 291 HA LEU 37 HA LEU 37 0.224 -11.921 -3.530 292 1HB LEU 37 1HB LEU 37 2.495 -12.102 -1.505 293 2HB LEU 37 2HB LEU 37 2.511 -12.683 -3.165 294 HG LEU 37 HG LEU 37 2.408 -9.764 -2.279 295 1HD1 LEU 37 1HD1 LEU 37 4.621 -11.374 -3.607 296 2HD1 LEU 37 2HD1 LEU 37 4.674 -9.643 -3.195 297 3HD1 LEU 37 3HD1 LEU 37 4.586 -10.856 -1.907 298 1HD2 LEU 37 1HD2 LEU 37 1.225 -10.039 -4.432 299 2HD2 LEU 37 2HD2 LEU 37 2.759 -9.195 -4.649 300 3HD2 LEU 37 3HD2 LEU 37 2.631 -10.911 -5.093 301 H GLY 38 H GLY 38 0.321 -12.556 -0.051 302 1HA GLY 38 1HA GLY 38 -0.996 -15.197 -0.446 303 2HA GLY 38 2HA GLY 38 0.436 -15.060 0.607 304 H ALA 39 H ALA 39 -2.648 -13.358 -0.090 305 HA ALA 39 HA ALA 39 -2.663 -11.956 2.447 306 1HB ALA 39 1HB ALA 39 -4.915 -12.357 0.458 307 2HB ALA 39 2HB ALA 39 -4.783 -11.053 1.640 308 3HB ALA 39 3HB ALA 39 -3.658 -11.106 0.273 309 H LEU 40 H LEU 40 -4.687 -11.959 3.765 310 HA LEU 40 HA LEU 40 -5.746 -14.713 4.283 311 1HB LEU 40 1HB LEU 40 -5.387 -12.288 6.088 312 2HB LEU 40 2HB LEU 40 -6.194 -13.783 6.569 313 HG LEU 40 HG LEU 40 -3.264 -13.576 5.717 314 1HD1 LEU 40 1HD1 LEU 40 -2.738 -13.912 8.084 315 2HD1 LEU 40 2HD1 LEU 40 -3.689 -12.443 7.843 316 3HD1 LEU 40 3HD1 LEU 40 -4.470 -13.911 8.488 317 1HD2 LEU 40 1HD2 LEU 40 -4.837 -15.920 6.877 318 2HD2 LEU 40 2HD2 LEU 40 -4.113 -15.824 5.254 319 3HD2 LEU 40 3HD2 LEU 40 -3.072 -15.871 6.674 320 H VAL 41 H VAL 41 -7.179 -14.347 2.460 321 HA VAL 41 HA VAL 41 -8.743 -12.133 2.038 322 HB VAL 41 HB VAL 41 -8.469 -13.848 0.414 323 1HG1 VAL 41 1HG1 VAL 41 -10.212 -15.698 2.089 324 2HG1 VAL 41 2HG1 VAL 41 -9.604 -16.016 0.453 325 3HG1 VAL 41 3HG1 VAL 41 -8.470 -15.888 1.798 326 1HG2 VAL 41 1HG2 VAL 41 -10.690 -13.995 -0.519 327 2HG2 VAL 41 2HG2 VAL 41 -11.436 -13.697 1.061 328 3HG2 VAL 41 3HG2 VAL 41 -10.510 -12.415 0.259 329 H GLY 42 H GLY 42 -10.542 -11.210 2.800 330 1HA GLY 42 1HA GLY 42 -12.592 -11.054 3.882 331 2HA GLY 42 2HA GLY 42 -12.381 -12.663 4.576 332 H LYS 43 H LYS 43 -9.500 -11.704 5.500 333 HA LYS 43 HA LYS 43 -10.435 -11.069 8.139 334 1HB LYS 43 1HB LYS 43 -8.392 -12.428 7.477 335 2HB LYS 43 2HB LYS 43 -7.566 -10.901 7.123 336 1HG LYS 43 1HG LYS 43 -7.737 -10.209 9.449 337 2HG LYS 43 2HG LYS 43 -8.853 -11.538 9.818 338 1HD LYS 43 1HD LYS 43 -7.066 -13.183 9.393 339 2HD LYS 43 2HD LYS 43 -5.934 -11.868 9.010 340 1HE LYS 43 1HE LYS 43 -6.196 -10.947 11.286 341 2HE LYS 43 2HE LYS 43 -7.414 -12.168 11.665 342 1HZ LYS 43 1HZ LYS 43 -5.705 -13.870 11.435 343 2HZ LYS 43 2HZ LYS 43 -4.562 -12.747 11.096 344 3HZ LYS 43 3HZ LYS 43 -5.272 -12.780 12.560 345 H GLY 44 H GLY 44 -9.989 -9.206 9.412 346 1HA GLY 44 1HA GLY 44 -10.133 -6.635 8.033 347 2HA GLY 44 2HA GLY 44 -10.138 -6.927 9.774 348 H ALA 45 H ALA 45 -8.653 -4.960 9.527 349 HA ALA 45 HA ALA 45 -5.930 -5.405 8.612 350 1HB ALA 45 1HB ALA 45 -6.838 -3.138 8.685 351 2HB ALA 45 2HB ALA 45 -7.163 -3.282 10.424 352 3HB ALA 45 3HB ALA 45 -5.487 -3.286 9.826 353 H ASP 46 H ASP 46 -4.080 -5.501 10.066 354 HA ASP 46 HA ASP 46 -4.331 -7.540 12.058 355 1HB ASP 46 1HB ASP 46 -2.279 -7.123 10.716 356 2HB ASP 46 2HB ASP 46 -2.043 -5.593 11.556 357 HA PRO 47 HA PRO 47 -5.694 -4.985 15.497 358 1HB PRO 47 1HB PRO 47 -3.937 -6.839 17.117 359 2HB PRO 47 2HB PRO 47 -5.590 -6.251 17.483 360 1HG PRO 47 1HG PRO 47 -5.231 -8.729 16.451 361 2HG PRO 47 2HG PRO 47 -6.545 -7.681 15.821 362 1HD PRO 47 1HD PRO 47 -3.833 -8.234 14.607 363 2HD PRO 47 2HD PRO 47 -5.436 -8.110 13.814 364 H THR 48 H THR 48 -2.209 -5.634 15.016 365 HA THR 48 HA THR 48 -1.376 -3.568 16.909 366 HB THR 48 HB THR 48 0.438 -4.605 14.757 367 HG1 THR 48 1HG THR 48 -0.557 -6.434 15.189 368 1HG2 THR 48 1HG2 THR 48 2.044 -4.715 16.628 369 2HG2 THR 48 2HG2 THR 48 1.273 -3.119 16.544 370 3HG2 THR 48 3HG2 THR 48 0.753 -4.291 17.776 371 H ALA 49 H ALA 49 -1.904 -3.942 13.383 372 HA ALA 49 HA ALA 49 -0.890 -1.354 12.632 373 1HB ALA 49 1HB ALA 49 -2.983 -3.126 11.284 374 2HB ALA 49 2HB ALA 49 -2.120 -1.763 10.543 375 3HB ALA 49 3HB ALA 49 -1.234 -3.222 11.023 376 H ILE 50 H ILE 50 -4.153 -2.612 13.532 377 HA ILE 50 HA ILE 50 -5.544 -0.140 13.275 378 HB ILE 50 HB ILE 50 -6.023 -2.493 15.141 379 1HG1 ILE 50 1HG1 ILE 50 -7.404 -1.790 12.513 380 2HG1 ILE 50 2HG1 ILE 50 -6.098 -2.957 12.632 381 1HG2 ILE 50 1HG2 ILE 50 -8.349 -1.659 15.384 382 2HG2 ILE 50 2HG2 ILE 50 -7.211 -0.472 15.983 383 3HG2 ILE 50 3HG2 ILE 50 -7.954 -0.244 14.385 384 1HD1 ILE 50 1HD1 ILE 50 -8.182 -4.145 12.554 385 2HD1 ILE 50 2HD1 ILE 50 -7.489 -4.345 14.175 386 3HD1 ILE 50 3HD1 ILE 50 -8.848 -3.225 13.902 387 H SER 51 H SER 51 -3.837 -1.594 16.124 388 HA SER 51 HA SER 51 -4.443 0.481 17.925 389 1HB SER 51 1HB SER 51 -1.965 -1.295 17.845 390 2HB SER 51 2HB SER 51 -2.530 -0.351 19.234 391 HG SER 51 HG SER 51 -3.827 -2.536 17.944 392 H VAL 52 H VAL 52 -1.477 0.118 15.846 393 HA VAL 52 HA VAL 52 -0.394 2.629 16.655 394 HB VAL 52 HB VAL 52 0.065 0.804 14.272 395 1HG1 VAL 52 1HG1 VAL 52 0.645 3.087 13.507 396 2HG1 VAL 52 2HG1 VAL 52 1.664 3.310 14.947 397 3HG1 VAL 52 3HG1 VAL 52 2.062 2.079 13.720 398 1HG2 VAL 52 1HG2 VAL 52 0.842 -0.061 16.430 399 2HG2 VAL 52 2HG2 VAL 52 2.258 0.491 15.523 400 3HG2 VAL 52 3HG2 VAL 52 1.617 1.489 16.821 401 H ALA 53 H ALA 53 -2.686 1.800 13.960 402 HA ALA 53 HA ALA 53 -2.606 4.402 12.806 403 1HB ALA 53 1HB ALA 53 -4.926 2.428 12.878 404 2HB ALA 53 2HB ALA 53 -4.720 3.786 11.752 405 3HB ALA 53 3HB ALA 53 -3.598 2.421 11.690 406 H ALA 54 H ALA 54 -4.543 3.047 15.534 407 HA ALA 54 HA ALA 54 -6.052 5.441 15.949 408 1HB ALA 54 1HB ALA 54 -6.628 4.435 18.116 409 2HB ALA 54 2HB ALA 54 -6.753 3.231 16.818 410 3HB ALA 54 3HB ALA 54 -5.357 3.215 17.921 411 H GLU 55 H GLU 55 -2.833 4.342 17.243 412 HA GLU 55 HA GLU 55 -2.477 6.527 19.020 413 1HB GLU 55 1HB GLU 55 -0.408 4.938 17.443 414 2HB GLU 55 2HB GLU 55 -0.013 6.154 18.646 415 1HG GLU 55 1HG GLU 55 -1.312 4.869 20.353 416 2HG GLU 55 2HG GLU 55 -1.535 3.579 19.177 417 H HIS 56 H HIS 56 -2.670 6.579 15.578 418 HA HIS 56 HA HIS 56 -1.755 9.419 15.514 419 1HB HIS 56 1HB HIS 56 -1.643 7.270 13.391 420 2HB HIS 56 2HB HIS 56 -1.212 8.966 13.129 421 HD1 HIS 56 HD1 HIS 56 0.984 9.818 14.801 422 HD2 HIS 56 HD2 HIS 56 0.314 5.731 14.090 423 HE1 HIS 56 HE1 HIS 56 3.151 8.627 15.403 424 H GLN 57 H GLN 57 -4.449 7.933 15.997 425 HA GLN 57 HA GLN 57 -6.637 8.200 15.471 426 1HB GLN 57 1HB GLN 57 -5.666 11.052 14.937 427 2HB GLN 57 2HB GLN 57 -7.335 10.597 15.272 428 1HG GLN 57 1HG GLN 57 -5.040 10.193 17.245 429 2HG GLN 57 2HG GLN 57 -6.104 11.590 17.212 430 1HE2 GLN 57 2HE2 GLN 57 -5.947 8.095 17.927 431 2HE2 GLN 57 1HE2 GLN 57 -7.482 8.034 18.765 432 H LEU 58 H LEU 58 -5.625 6.847 13.515 433 HA LEU 58 HA LEU 58 -7.493 7.747 11.366 434 1HB LEU 58 1HB LEU 58 -4.765 7.563 10.929 435 2HB LEU 58 2HB LEU 58 -5.270 5.921 10.563 436 HG LEU 58 HG LEU 58 -6.267 8.504 9.284 437 1HD1 LEU 58 1HD1 LEU 58 -4.717 6.148 8.129 438 2HD1 LEU 58 2HD1 LEU 58 -5.224 7.616 7.258 439 3HD1 LEU 58 3HD1 LEU 58 -4.041 7.730 8.565 440 1HD2 LEU 58 1HD2 LEU 58 -7.519 7.011 7.681 441 2HD2 LEU 58 2HD2 LEU 58 -7.284 5.670 8.836 442 3HD2 LEU 58 3HD2 LEU 58 -8.217 7.123 9.282 443 H SER 59 H SER 59 -8.844 5.994 10.678 444 HA SER 59 HA SER 59 -8.804 3.750 12.612 445 1HB SER 59 1HB SER 59 -11.182 5.060 11.251 446 2HB SER 59 2HB SER 59 -11.217 3.826 12.524 447 HG SER 59 HG SER 59 -11.509 5.956 13.340 448 H LEU 60 H LEU 60 -7.984 1.965 11.480 449 HA LEU 60 HA LEU 60 -8.378 1.590 8.654 450 1HB LEU 60 1HB LEU 60 -7.630 -0.541 10.669 451 2HB LEU 60 2HB LEU 60 -7.360 -0.568 8.933 452 HG LEU 60 HG LEU 60 -5.980 1.203 10.980 453 1HD1 LEU 60 1HD1 LEU 60 -4.878 -0.930 9.107 454 2HD1 LEU 60 2HD1 LEU 60 -3.953 0.024 10.284 455 3HD1 LEU 60 3HD1 LEU 60 -5.175 -1.123 10.852 456 1HD2 LEU 60 1HD2 LEU 60 -5.703 1.274 7.947 457 2HD2 LEU 60 2HD2 LEU 60 -6.226 2.597 9.022 458 3HD2 LEU 60 3HD2 LEU 60 -4.564 2.027 9.086 459 H GLU 61 H GLU 61 -10.352 0.802 11.388 460 HA GLU 61 HA GLU 61 -12.376 -0.169 11.623 461 1HB GLU 61 1HB GLU 61 -12.727 0.980 8.852 462 2HB GLU 61 2HB GLU 61 -14.040 0.537 9.946 463 1HG GLU 61 1HG GLU 61 -13.409 2.195 11.563 464 2HG GLU 61 2HG GLU 61 -11.946 2.599 10.674 465 H GLY 62 H GLY 62 -13.908 -1.140 9.043 466 1HA GLY 62 1HA GLY 62 -13.333 -3.955 9.749 467 2HA GLY 62 2HA GLY 62 -14.819 -3.317 9.031 468 H HIS 63 H HIS 63 -11.324 -3.245 8.289 469 HA HIS 63 HA HIS 63 -11.468 -3.090 5.490 470 1HB HIS 63 1HB HIS 63 -9.459 -2.701 6.923 471 2HB HIS 63 2HB HIS 63 -9.359 -4.436 7.228 472 HD1 HIS 63 HD1 HIS 63 -9.182 -2.024 4.183 473 HD2 HIS 63 HD2 HIS 63 -7.925 -5.822 5.516 474 HE1 HIS 63 HE1 HIS 63 -7.710 -2.948 2.370 475 H CYS 64 H CYS 64 -11.122 -4.717 3.822 476 HA CYS 64 HA CYS 64 -11.565 -7.547 4.625 477 1HB CYS 64 1HB CYS 64 -13.635 -6.485 3.653 478 2HB CYS 64 2HB CYS 64 -12.729 -6.200 2.152 479 HG CYS 64 HG CYS 64 -14.314 -8.267 1.877 480 H ALA 65 H ALA 65 -9.458 -8.156 4.504 481 HA ALA 65 HA ALA 65 -7.660 -7.486 2.375 482 1HB ALA 65 1HB ALA 65 -7.776 -9.719 4.451 483 2HB ALA 65 2HB ALA 65 -6.428 -9.525 3.323 484 3HB ALA 65 3HB ALA 65 -6.790 -8.244 4.501 485 H ARG 66 H ARG 66 -6.816 -9.063 0.769 486 HA ARG 66 HA ARG 66 -8.560 -11.264 -0.080 487 1HB ARG 66 1HB ARG 66 -9.275 -10.278 -2.193 488 2HB ARG 66 2HB ARG 66 -9.853 -9.302 -0.852 489 1HG ARG 66 1HG ARG 66 -7.617 -7.895 -1.329 490 2HG ARG 66 2HG ARG 66 -7.721 -8.685 -2.900 491 1HD ARG 66 1HD ARG 66 -8.824 -6.633 -3.163 492 2HD ARG 66 2HD ARG 66 -10.153 -7.798 -3.000 493 HE ARG 66 HE ARG 66 -9.749 -6.982 -0.418 494 1HH1 ARG 66 1HH2 ARG 66 -10.263 -5.041 -3.381 495 2HH1 ARG 66 2HH2 ARG 66 -10.667 -3.624 -2.420 496 1HH2 ARG 66 1HH1 ARG 66 -10.341 -5.112 0.685 497 2HH2 ARG 66 2HH1 ARG 66 -10.691 -3.636 -0.236 498 H GLN 67 H GLN 67 -7.430 -12.621 -1.631 499 HA GLN 67 HA GLN 67 -4.555 -12.014 -1.807 500 1HB GLN 67 1HB GLN 67 -5.484 -14.382 -1.387 501 2HB GLN 67 2HB GLN 67 -5.972 -14.369 -3.098 502 1HG GLN 67 1HG GLN 67 -3.577 -13.858 -3.714 503 2HG GLN 67 2HG GLN 67 -3.150 -13.889 -2.011 504 1HE2 GLN 67 2HE2 GLN 67 -1.546 -15.419 -3.051 505 2HE2 GLN 67 1HE2 GLN 67 -2.000 -17.114 -3.123 506 H ILE 68 H ILE 68 -3.496 -11.375 -3.539 507 HA ILE 68 HA ILE 68 -5.033 -10.049 -5.573 508 HB ILE 68 HB ILE 68 -2.736 -9.417 -4.606 509 1HG1 ILE 68 1HG1 ILE 68 -3.172 -9.352 -7.626 510 2HG1 ILE 68 2HG1 ILE 68 -3.996 -8.313 -6.457 511 1HG2 ILE 68 1HG2 ILE 68 -1.621 -11.612 -5.020 512 2HG2 ILE 68 2HG2 ILE 68 -1.664 -11.264 -6.763 513 3HG2 ILE 68 3HG2 ILE 68 -0.747 -10.217 -5.665 514 1HD1 ILE 68 1HD1 ILE 68 -2.179 -7.085 -7.445 515 2HD1 ILE 68 2HD1 ILE 68 -1.797 -7.414 -5.739 516 3HD1 ILE 68 3HD1 ILE 68 -1.033 -8.370 -7.036 517 H SER 69 H SER 69 -5.026 -10.537 -7.769 518 HA SER 69 HA SER 69 -4.255 -13.246 -8.660 519 1HB SER 69 1HB SER 69 -6.468 -13.630 -9.605 520 2HB SER 69 2HB SER 69 -6.656 -13.274 -7.870 521 HG SER 69 HG SER 69 -8.149 -12.109 -9.095 522 H ARG 70 H ARG 70 -4.197 -13.198 -11.176 523 HA ARG 70 HA ARG 70 -2.967 -10.789 -12.071 524 1HB ARG 70 1HB ARG 70 -2.647 -13.056 -13.094 525 2HB ARG 70 2HB ARG 70 -4.259 -12.930 -13.822 526 1HG ARG 70 1HG ARG 70 -3.539 -10.931 -15.096 527 2HG ARG 70 2HG ARG 70 -1.968 -10.963 -14.276 528 1HD ARG 70 1HD ARG 70 -1.561 -13.237 -15.258 529 2HD ARG 70 2HD ARG 70 -3.073 -13.065 -16.176 530 HE ARG 70 HE ARG 70 -1.468 -10.758 -16.634 531 1HH1 ARG 70 1HH1 ARG 70 -1.454 -14.229 -17.473 532 2HH1 ARG 70 2HH1 ARG 70 -0.502 -14.008 -18.892 533 1HH2 ARG 70 1HH2 ARG 70 -0.165 -10.491 -18.360 534 2HH2 ARG 70 2HH2 ARG 70 0.219 -11.788 -19.479 535 H ARG 71 H ARG 71 -6.377 -11.856 -12.182 536 HA ARG 71 HA ARG 71 -7.360 -9.728 -13.784 537 1HB ARG 71 1HB ARG 71 -8.713 -11.672 -13.282 538 2HB ARG 71 2HB ARG 71 -8.650 -11.346 -11.548 539 1HG ARG 71 1HG ARG 71 -10.825 -10.753 -12.495 540 2HG ARG 71 2HG ARG 71 -10.013 -9.343 -11.828 541 1HD ARG 71 1HD ARG 71 -11.067 -8.747 -13.917 542 2HD ARG 71 2HD ARG 71 -9.307 -8.669 -14.109 543 HE ARG 71 HE ARG 71 -10.192 -11.246 -14.903 544 1HH1 ARG 71 1HH2 ARG 71 -10.510 -7.889 -16.019 545 2HH1 ARG 71 2HH2 ARG 71 -10.667 -8.306 -17.682 546 1HH2 ARG 71 1HH1 ARG 71 -10.397 -11.805 -17.125 547 2HH2 ARG 71 2HH1 ARG 71 -10.628 -10.587 -18.319 548 H LEU 72 H LEU 72 -6.918 -9.928 -10.158 549 HA LEU 72 HA LEU 72 -7.767 -7.241 -9.753 550 1HB LEU 72 1HB LEU 72 -6.243 -9.244 -8.129 551 2HB LEU 72 2HB LEU 72 -5.935 -7.539 -7.779 552 HG LEU 72 HG LEU 72 -8.371 -7.140 -7.599 553 1HD1 LEU 72 1HD1 LEU 72 -9.243 -9.111 -8.823 554 2HD1 LEU 72 2HD1 LEU 72 -8.609 -10.175 -7.549 555 3HD1 LEU 72 3HD1 LEU 72 -9.906 -9.017 -7.188 556 1HD2 LEU 72 1HD2 LEU 72 -7.234 -9.193 -5.650 557 2HD2 LEU 72 2HD2 LEU 72 -6.941 -7.436 -5.606 558 3HD2 LEU 72 3HD2 LEU 72 -8.570 -8.069 -5.327 559 H CYS 73 H CYS 73 -4.455 -8.546 -10.503 560 HA CYS 73 HA CYS 73 -3.137 -6.123 -10.152 561 1HB CYS 73 1HB CYS 73 -2.583 -8.224 -12.304 562 2HB CYS 73 2HB CYS 73 -1.470 -6.942 -11.808 563 HG CYS 73 HG CYS 73 -0.613 -9.166 -10.809 564 H ARG 74 H ARG 74 -4.825 -7.251 -13.176 565 HA ARG 74 HA ARG 74 -4.215 -4.708 -14.463 566 1HB ARG 74 1HB ARG 74 -5.425 -5.546 -16.368 567 2HB ARG 74 2HB ARG 74 -4.299 -6.759 -15.765 568 1HG ARG 74 1HG ARG 74 -6.188 -7.954 -14.664 569 2HG ARG 74 2HG ARG 74 -7.310 -6.723 -15.245 570 1HD ARG 74 1HD ARG 74 -7.463 -8.651 -16.657 571 2HD ARG 74 2HD ARG 74 -6.737 -7.333 -17.589 572 HE ARG 74 HE ARG 74 -4.513 -8.625 -16.704 573 1HH1 ARG 74 1HH1 ARG 74 -7.434 -9.895 -18.310 574 2HH1 ARG 74 2HH1 ARG 74 -6.595 -11.202 -19.058 575 1HH2 ARG 74 1HH2 ARG 74 -3.449 -10.215 -17.695 576 2HH2 ARG 74 2HH2 ARG 74 -4.233 -11.417 -18.710 577 H ASN 75 H ASN 75 -6.677 -5.618 -12.235 578 HA ASN 75 HA ASN 75 -8.831 -4.104 -13.302 579 1HB ASN 75 1HB ASN 75 -9.143 -5.876 -11.623 580 2HB ASN 75 2HB ASN 75 -8.266 -4.919 -10.426 581 1HD2 ASN 75 2HD2 ASN 75 -9.442 -3.411 -9.199 582 2HD2 ASN 75 1HD2 ASN 75 -11.119 -3.029 -9.513 583 H TYR 76 H TYR 76 -5.984 -3.065 -11.497 584 HA TYR 76 HA TYR 76 -7.239 -0.381 -11.080 585 1HB TYR 76 1HB TYR 76 -5.007 -1.591 -9.437 586 2HB TYR 76 2HB TYR 76 -5.802 -0.047 -9.182 587 HD1 TYR 76 HD1 TYR 76 -6.275 -3.727 -9.052 588 HD2 TYR 76 HD2 TYR 76 -7.795 0.091 -7.835 589 HE1 TYR 76 HE1 TYR 76 -7.885 -4.866 -7.554 590 HE2 TYR 76 HE2 TYR 76 -9.446 -1.007 -6.375 591 HH TYR 76 HH TYR 76 -10.317 -3.060 -5.626 592 H ASP 77 H ASP 77 -5.688 1.451 -11.390 593 HA ASP 77 HA ASP 77 -4.278 0.847 -13.917 594 1HB ASP 77 1HB ASP 77 -6.021 2.600 -13.809 595 2HB ASP 77 2HB ASP 77 -5.034 3.498 -12.648 596 H LEU 78 H LEU 78 -3.401 1.395 -10.643 597 HA LEU 78 HA LEU 78 -0.565 1.639 -11.361 598 1HB LEU 78 1HB LEU 78 -1.800 3.965 -10.990 599 2HB LEU 78 2HB LEU 78 -1.772 3.519 -9.300 600 HG LEU 78 HG LEU 78 -0.013 5.069 -9.927 601 1HD1 LEU 78 1HD1 LEU 78 0.412 3.430 -8.083 602 2HD1 LEU 78 2HD1 LEU 78 1.325 2.426 -9.237 603 3HD1 LEU 78 3HD1 LEU 78 1.872 4.060 -8.858 604 1HD2 LEU 78 1HD2 LEU 78 0.293 4.283 -12.283 605 2HD2 LEU 78 2HD2 LEU 78 1.802 4.570 -11.406 606 3HD2 LEU 78 3HD2 LEU 78 1.233 2.909 -11.670 607 H ILE 79 H ILE 79 0.631 0.435 -9.856 608 HA ILE 79 HA ILE 79 -0.954 -0.835 -7.656 609 HB ILE 79 HB ILE 79 1.099 -2.176 -9.436 610 1HG1 ILE 79 1HG1 ILE 79 -0.845 -1.727 -10.838 611 2HG1 ILE 79 2HG1 ILE 79 -0.635 -3.438 -10.542 612 1HG2 ILE 79 1HG2 ILE 79 -0.790 -3.299 -7.323 613 2HG2 ILE 79 2HG2 ILE 79 0.226 -4.280 -8.401 614 3HG2 ILE 79 3HG2 ILE 79 0.976 -3.192 -7.227 615 1HD1 ILE 79 1HD1 ILE 79 -2.502 -3.500 -9.001 616 2HD1 ILE 79 2HD1 ILE 79 -2.633 -1.724 -9.006 617 3HD1 ILE 79 3HD1 ILE 79 -3.015 -2.639 -10.462 618 H LEU 80 H LEU 80 0.089 -0.857 -5.721 619 HA LEU 80 HA LEU 80 2.881 0.188 -5.638 620 1HB LEU 80 1HB LEU 80 0.500 0.923 -3.904 621 2HB LEU 80 2HB LEU 80 2.164 1.391 -3.556 622 HG LEU 80 HG LEU 80 0.619 2.185 -6.063 623 1HD1 LEU 80 1HD1 LEU 80 1.381 3.955 -3.719 624 2HD1 LEU 80 2HD1 LEU 80 0.426 4.389 -5.142 625 3HD1 LEU 80 3HD1 LEU 80 -0.234 3.246 -3.960 626 1HD2 LEU 80 1HD2 LEU 80 3.021 2.136 -6.526 627 2HD2 LEU 80 2HD2 LEU 80 2.467 3.798 -6.410 628 3HD2 LEU 80 3HD2 LEU 80 3.360 3.075 -5.053 629 H THR 81 H THR 81 4.182 -0.560 -4.012 630 HA THR 81 HA THR 81 3.131 -2.357 -1.976 631 HB THR 81 HB THR 81 3.424 -3.855 -3.927 632 HG1 THR 81 1HG THR 81 3.686 -4.647 -1.903 633 1HG2 THR 81 1HG2 THR 81 6.395 -3.194 -3.772 634 2HG2 THR 81 2HG2 THR 81 5.623 -4.438 -4.775 635 3HG2 THR 81 3HG2 THR 81 5.298 -2.732 -5.093 636 H MET 82 H MET 82 5.690 -3.230 -1.004 637 HA MET 82 HA MET 82 6.918 -0.571 -0.381 638 1HB MET 82 1HB MET 82 6.017 -2.838 1.436 639 2HB MET 82 2HB MET 82 7.117 -1.569 1.942 640 1HG MET 82 1HG MET 82 5.127 -0.699 2.656 641 2HG MET 82 2HG MET 82 5.306 0.095 1.100 642 1HE MET 82 1HE MET 82 2.810 0.347 2.542 643 2HE MET 82 2HE MET 82 2.694 0.785 0.823 644 3HE MET 82 3HE MET 82 1.461 -0.262 1.569 645 H GLU 83 H GLU 83 7.615 -3.704 -1.590 646 HA GLU 83 HA GLU 83 10.494 -3.246 -1.025 647 1HB GLU 83 1HB GLU 83 8.945 -5.816 -0.468 648 2HB GLU 83 2HB GLU 83 10.709 -5.697 -0.544 649 1HG GLU 83 1HG GLU 83 10.718 -4.103 1.340 650 2HG GLU 83 2HG GLU 83 8.951 -4.190 1.435 651 H LYS 84 H LYS 84 11.903 -4.143 -2.562 652 HA LYS 84 HA LYS 84 10.823 -4.148 -5.214 653 1HB LYS 84 1HB LYS 84 13.593 -5.023 -4.281 654 2HB LYS 84 2HB LYS 84 13.118 -4.623 -5.939 655 1HG LYS 84 1HG LYS 84 12.539 -2.300 -5.186 656 2HG LYS 84 2HG LYS 84 13.112 -2.709 -3.561 657 1HD LYS 84 1HD LYS 84 15.365 -3.281 -4.615 658 2HD LYS 84 2HD LYS 84 14.779 -2.527 -6.105 659 1HE LYS 84 1HE LYS 84 14.921 -1.198 -3.355 660 2HE LYS 84 2HE LYS 84 16.144 -1.000 -4.610 661 1HZ LYS 84 1HZ LYS 84 14.332 0.762 -4.370 662 2HZ LYS 84 2HZ LYS 84 14.706 0.293 -5.892 663 3HZ LYS 84 3HZ LYS 84 13.346 -0.273 -5.161 664 H ARG 85 H ARG 85 11.705 -6.838 -3.002 665 HA ARG 85 HA ARG 85 11.411 -8.943 -4.851 666 1HB ARG 85 1HB ARG 85 10.783 -10.350 -2.907 667 2HB ARG 85 2HB ARG 85 12.256 -9.422 -2.661 668 1HG ARG 85 1HG ARG 85 11.129 -7.859 -1.190 669 2HG ARG 85 2HG ARG 85 9.548 -8.570 -1.542 670 1HD ARG 85 1HD ARG 85 10.264 -10.693 -0.509 671 2HD ARG 85 2HD ARG 85 11.840 -9.978 -0.127 672 HE ARG 85 HE ARG 85 10.563 -8.243 1.209 673 1HH1 ARG 85 1HH2 ARG 85 9.491 -11.628 1.032 674 2HH1 ARG 85 2HH2 ARG 85 8.540 -11.530 2.465 675 1HH2 ARG 85 1HH1 ARG 85 9.165 -8.046 2.941 676 2HH2 ARG 85 2HH1 ARG 85 8.396 -9.448 3.626 677 H HIS 86 H HIS 86 8.863 -6.961 -3.316 678 HA HIS 86 HA HIS 86 6.749 -8.801 -4.163 679 1HB HIS 86 1HB HIS 86 6.651 -5.951 -3.106 680 2HB HIS 86 2HB HIS 86 5.251 -6.961 -3.437 681 HD1 HIS 86 HD1 HIS 86 7.125 -9.510 -1.876 682 HD2 HIS 86 HD2 HIS 86 5.487 -5.867 -0.564 683 HE1 HIS 86 HE1 HIS 86 6.822 -9.713 0.636 684 H ILE 87 H ILE 87 8.279 -5.763 -5.379 685 HA ILE 87 HA ILE 87 6.504 -5.349 -7.554 686 HB ILE 87 HB ILE 87 9.488 -4.748 -7.349 687 1HG1 ILE 87 1HG1 ILE 87 7.057 -2.986 -6.815 688 2HG1 ILE 87 2HG1 ILE 87 8.119 -3.670 -5.587 689 1HG2 ILE 87 1HG2 ILE 87 7.457 -3.602 -9.315 690 2HG2 ILE 87 2HG2 ILE 87 9.167 -3.143 -9.179 691 3HG2 ILE 87 3HG2 ILE 87 8.745 -4.749 -9.717 692 1HD1 ILE 87 1HD1 ILE 87 10.031 -2.371 -6.534 693 2HD1 ILE 87 2HD1 ILE 87 8.882 -1.563 -7.632 694 3HD1 ILE 87 3HD1 ILE 87 8.697 -1.398 -5.887 695 H GLU 88 H GLU 88 9.532 -7.326 -7.310 696 HA GLU 88 HA GLU 88 9.500 -8.195 -9.992 697 1HB GLU 88 1HB GLU 88 10.561 -9.505 -7.454 698 2HB GLU 88 2HB GLU 88 10.830 -10.183 -9.058 699 1HG GLU 88 1HG GLU 88 11.694 -7.374 -8.240 700 2HG GLU 88 2HG GLU 88 12.725 -8.796 -8.168 701 H ARG 89 H ARG 89 7.959 -9.729 -7.104 702 HA ARG 89 HA ARG 89 6.933 -11.978 -8.561 703 1HB ARG 89 1HB ARG 89 6.066 -10.645 -5.955 704 2HB ARG 89 2HB ARG 89 5.331 -12.128 -6.587 705 1HG ARG 89 1HG ARG 89 7.487 -13.291 -6.542 706 2HG ARG 89 2HG ARG 89 8.311 -11.825 -5.994 707 1HD ARG 89 1HD ARG 89 7.008 -11.824 -3.915 708 2HD ARG 89 2HD ARG 89 6.113 -13.255 -4.435 709 HE ARG 89 HE ARG 89 8.885 -13.085 -3.463 710 1HH1 ARG 89 1HH2 ARG 89 6.462 -15.185 -5.001 711 2HH1 ARG 89 2HH2 ARG 89 7.278 -16.649 -4.604 712 1HH2 ARG 89 1HH1 ARG 89 9.965 -15.040 -2.935 713 2HH2 ARG 89 2HH1 ARG 89 9.310 -16.560 -3.403 714 H LEU 90 H LEU 90 5.537 -8.741 -7.873 715 HA LEU 90 HA LEU 90 2.977 -9.275 -9.016 716 1HB LEU 90 1HB LEU 90 4.619 -6.759 -8.587 717 2HB LEU 90 2HB LEU 90 3.031 -6.690 -9.346 718 HG LEU 90 HG LEU 90 3.447 -7.967 -6.617 719 1HD1 LEU 90 1HD1 LEU 90 2.690 -5.881 -5.605 720 2HD1 LEU 90 2HD1 LEU 90 4.172 -5.593 -6.520 721 3HD1 LEU 90 3HD1 LEU 90 2.601 -5.099 -7.198 722 1HD2 LEU 90 1HD2 LEU 90 0.990 -6.860 -8.053 723 2HD2 LEU 90 2HD2 LEU 90 1.354 -8.575 -7.768 724 3HD2 LEU 90 3HD2 LEU 90 1.034 -7.511 -6.405 725 H CYS 91 H CYS 91 6.003 -7.958 -10.495 726 HA CYS 91 HA CYS 91 4.813 -7.562 -13.065 727 1HB CYS 91 1HB CYS 91 7.726 -8.014 -12.277 728 2HB CYS 91 2HB CYS 91 7.162 -7.479 -13.872 729 HG CYS 91 HG CYS 91 6.821 -6.059 -10.912 730 H GLU 92 H GLU 92 6.477 -10.423 -11.587 731 HA GLU 92 HA GLU 92 6.447 -11.976 -13.976 732 1HB GLU 92 1HB GLU 92 6.575 -12.700 -11.027 733 2HB GLU 92 2HB GLU 92 6.535 -13.928 -12.295 734 1HG GLU 92 1HG GLU 92 8.537 -12.930 -13.358 735 2HG GLU 92 2HG GLU 92 8.642 -11.737 -12.070 736 H MET 93 H MET 93 3.988 -11.592 -11.351 737 HA MET 93 HA MET 93 2.224 -13.599 -12.457 738 1HB MET 93 1HB MET 93 1.783 -11.320 -10.491 739 2HB MET 93 2HB MET 93 0.518 -12.461 -10.965 740 1HG MET 93 1HG MET 93 1.975 -14.351 -10.228 741 2HG MET 93 2HG MET 93 3.129 -13.186 -9.591 742 1HE MET 93 1HE MET 93 1.006 -10.931 -8.350 743 2HE MET 93 2HE MET 93 1.049 -11.510 -6.677 744 3HE MET 93 3HE MET 93 2.550 -11.460 -7.631 745 H ALA 94 H ALA 94 2.589 -10.081 -12.981 746 HA ALA 94 HA ALA 94 0.516 -10.220 -15.117 747 1HB ALA 94 1HB ALA 94 0.582 -8.190 -12.852 748 2HB ALA 94 2HB ALA 94 -0.520 -8.185 -14.250 749 3HB ALA 94 3HB ALA 94 -0.606 -9.496 -13.057 750 HA PRO 95 HA PRO 95 4.445 -8.056 -16.332 751 1HB PRO 95 1HB PRO 95 4.539 -8.973 -18.946 752 2HB PRO 95 2HB PRO 95 5.257 -9.811 -17.537 753 1HG PRO 95 1HG PRO 95 2.564 -10.308 -18.833 754 2HG PRO 95 2HG PRO 95 3.798 -11.515 -18.343 755 1HD PRO 95 1HD PRO 95 1.662 -10.979 -16.769 756 2HD PRO 95 2HD PRO 95 3.273 -11.243 -16.043 757 H GLU 96 H GLU 96 1.157 -8.126 -17.676 758 HA GLU 96 HA GLU 96 1.402 -5.859 -19.378 759 1HB GLU 96 1HB GLU 96 -0.993 -5.691 -19.224 760 2HB GLU 96 2HB GLU 96 -0.524 -7.356 -19.486 761 1HG GLU 96 1HG GLU 96 -1.132 -6.385 -16.671 762 2HG GLU 96 2HG GLU 96 -2.437 -6.692 -17.800 763 H MET 97 H MET 97 1.561 -6.078 -15.906 764 HA MET 97 HA MET 97 1.021 -3.168 -15.606 765 1HB MET 97 1HB MET 97 1.307 -5.307 -13.459 766 2HB MET 97 2HB MET 97 0.866 -3.619 -13.216 767 1HG MET 97 1HG MET 97 -0.755 -5.761 -14.605 768 2HG MET 97 2HG MET 97 -1.120 -4.957 -13.090 769 1HE MET 97 1HE MET 97 -2.221 -2.635 -12.825 770 2HE MET 97 2HE MET 97 -0.769 -1.901 -13.528 771 3HE MET 97 3HE MET 97 -2.379 -1.445 -14.129 772 H ARG 98 H ARG 98 3.680 -4.997 -16.388 773 HA ARG 98 HA ARG 98 5.612 -4.162 -14.456 774 1HB ARG 98 1HB ARG 98 5.965 -5.937 -16.156 775 2HB ARG 98 2HB ARG 98 5.960 -4.716 -17.438 776 1HG ARG 98 1HG ARG 98 7.998 -3.679 -16.474 777 2HG ARG 98 2HG ARG 98 7.936 -4.803 -15.108 778 1HD ARG 98 1HD ARG 98 9.600 -5.575 -16.684 779 2HD ARG 98 2HD ARG 98 8.242 -6.714 -16.654 780 HE ARG 98 HE ARG 98 7.982 -4.693 -18.725 781 1HH1 ARG 98 1HH2 ARG 98 9.576 -7.779 -17.996 782 2HH1 ARG 98 2HH2 ARG 98 9.719 -8.261 -19.645 783 1HH2 ARG 98 1HH1 ARG 98 8.160 -5.336 -20.926 784 2HH2 ARG 98 2HH1 ARG 98 8.900 -6.833 -21.346 785 H GLY 99 H GLY 99 6.300 -2.142 -13.994 786 1HA GLY 99 1HA GLY 99 7.088 0.035 -14.517 787 2HA GLY 99 2HA GLY 99 6.134 0.043 -16.004 788 H LYS 100 H LYS 100 3.648 -0.980 -14.696 789 HA LYS 100 HA LYS 100 2.712 1.489 -13.366 790 1HB LYS 100 1HB LYS 100 1.325 -1.083 -14.229 791 2HB LYS 100 2HB LYS 100 0.535 0.159 -13.251 792 1HG LYS 100 1HG LYS 100 0.876 1.843 -14.973 793 2HG LYS 100 2HG LYS 100 1.754 0.688 -15.992 794 1HD LYS 100 1HD LYS 100 -0.222 -0.700 -16.254 795 2HD LYS 100 2HD LYS 100 -1.145 0.285 -15.114 796 1HE LYS 100 1HE LYS 100 0.039 1.380 -17.695 797 2HE LYS 100 2HE LYS 100 -1.588 0.698 -17.598 798 1HZ LYS 100 1HZ LYS 100 -0.726 2.964 -15.909 799 2HZ LYS 100 2HZ LYS 100 -1.486 3.142 -17.348 800 3HZ LYS 100 3HZ LYS 100 -2.259 2.410 -16.117 801 H VAL 101 H VAL 101 4.062 -1.610 -12.457 802 HA VAL 101 HA VAL 101 3.110 -1.338 -9.684 803 HB VAL 101 HB VAL 101 5.182 -3.230 -10.869 804 1HG1 VAL 101 1HG1 VAL 101 5.399 -2.916 -8.424 805 2HG1 VAL 101 2HG1 VAL 101 3.678 -3.267 -8.210 806 3HG1 VAL 101 3HG1 VAL 101 4.792 -4.524 -8.800 807 1HG2 VAL 101 1HG2 VAL 101 2.302 -3.946 -10.159 808 2HG2 VAL 101 2HG2 VAL 101 2.861 -3.653 -11.811 809 3HG2 VAL 101 3HG2 VAL 101 3.544 -4.981 -10.889 810 H MET 102 H MET 102 4.331 -0.308 -8.108 811 HA MET 102 HA MET 102 7.202 -0.074 -8.355 812 1HB MET 102 1HB MET 102 7.372 2.368 -8.214 813 2HB MET 102 2HB MET 102 6.616 1.863 -9.712 814 1HG MET 102 1HG MET 102 4.346 2.321 -8.535 815 2HG MET 102 2HG MET 102 5.310 3.127 -7.292 816 1HE MET 102 1HE MET 102 3.696 3.193 -10.722 817 2HE MET 102 2HE MET 102 4.503 4.501 -11.617 818 3HE MET 102 3HE MET 102 5.355 2.969 -11.322 819 H LEU 103 H LEU 103 7.823 1.542 -6.220 820 HA LEU 103 HA LEU 103 6.152 0.375 -4.067 821 1HB LEU 103 1HB LEU 103 8.161 0.633 -2.582 822 2HB LEU 103 2HB LEU 103 8.062 -0.715 -3.701 823 HG LEU 103 HG LEU 103 9.719 0.440 -5.189 824 1HD1 LEU 103 1HD1 LEU 103 9.950 2.424 -2.900 825 2HD1 LEU 103 2HD1 LEU 103 11.047 2.279 -4.286 826 3HD1 LEU 103 3HD1 LEU 103 9.382 2.774 -4.563 827 1HD2 LEU 103 1HD2 LEU 103 10.424 -1.250 -3.555 828 2HD2 LEU 103 2HD2 LEU 103 11.644 0.034 -3.646 829 3HD2 LEU 103 3HD2 LEU 103 10.518 -0.014 -2.282 830 H PHE 104 H PHE 104 5.839 1.416 -2.148 831 HA PHE 104 HA PHE 104 4.894 4.031 -2.365 832 1HB PHE 104 1HB PHE 104 4.849 1.908 -0.515 833 2HB PHE 104 2HB PHE 104 5.700 3.160 0.357 834 HD1 PHE 104 HD1 PHE 104 4.198 3.989 1.930 835 HD2 PHE 104 HD2 PHE 104 2.786 3.222 -2.063 836 HE1 PHE 104 HE1 PHE 104 1.994 4.951 2.525 837 HE2 PHE 104 HE2 PHE 104 0.578 4.188 -1.465 838 HZ PHE 104 HZ PHE 104 0.191 5.049 0.831 839 H GLY 105 H GLY 105 8.047 2.864 -1.154 840 1HA GLY 105 1HA GLY 105 8.944 5.453 -0.246 841 2HA GLY 105 2HA GLY 105 9.914 3.993 -0.425 842 H HIS 106 H HIS 106 8.286 4.732 -3.380 843 HA HIS 106 HA HIS 106 10.459 5.408 -4.955 844 1HB HIS 106 1HB HIS 106 8.293 4.887 -5.849 845 2HB HIS 106 2HB HIS 106 7.592 6.356 -5.155 846 HD1 HIS 106 HD1 HIS 106 10.196 5.352 -7.876 847 HD2 HIS 106 HD2 HIS 106 7.678 8.506 -6.673 848 HE1 HIS 106 HE1 HIS 106 10.330 7.113 -9.705 849 H TRP 107 H TRP 107 8.387 7.741 -3.109 850 HA TRP 107 HA TRP 107 9.955 10.006 -3.923 851 1HB TRP 107 1HB TRP 107 8.020 9.843 -1.597 852 2HB TRP 107 2HB TRP 107 8.428 11.235 -2.611 853 HD1 TRP 107 HD1 TRP 107 6.000 8.413 -2.334 854 HE1 TRP 107 HE1 TRP 107 4.420 8.356 -4.314 855 HE3 TRP 107 HE3 TRP 107 8.338 11.860 -5.325 856 HZ2 TRP 107 HZ2 TRP 107 4.153 9.663 -6.900 857 HZ3 TRP 107 HZ3 TRP 107 7.394 12.426 -7.549 858 HH2 TRP 107 HH2 TRP 107 5.302 11.338 -8.339 859 H ASP 108 H ASP 108 11.181 7.658 -2.214 860 HA ASP 108 HA ASP 108 12.762 9.421 -0.437 861 1HB ASP 108 1HB ASP 108 10.954 8.181 0.878 862 2HB ASP 108 2HB ASP 108 11.723 6.674 0.407 863 H ASN 109 H ASN 109 13.599 8.992 -2.869 864 HA ASN 109 HA ASN 109 14.980 7.979 -4.304 865 1HB ASN 109 1HB ASN 109 17.224 7.500 -3.567 866 2HB ASN 109 2HB ASN 109 16.608 8.998 -2.905 867 1HD2 ASN 109 2HD2 ASN 109 16.990 5.523 -1.992 868 2HD2 ASN 109 1HD2 ASN 109 17.460 5.853 -0.330 869 H GLU 110 H GLU 110 12.946 6.428 -4.110 870 HA GLU 110 HA GLU 110 12.061 4.369 -4.045 871 1HB GLU 110 1HB GLU 110 12.885 2.890 -5.720 872 2HB GLU 110 2HB GLU 110 12.980 4.553 -6.271 873 1HG GLU 110 1HG GLU 110 15.371 4.597 -6.073 874 2HG GLU 110 2HG GLU 110 15.404 3.100 -5.139 875 H CYS 111 H CYS 111 13.415 4.764 -1.622 876 HA CYS 111 HA CYS 111 14.881 2.414 -0.889 877 1HB CYS 111 1HB CYS 111 14.875 4.638 0.317 878 2HB CYS 111 2HB CYS 111 13.256 4.245 0.928 879 HG CYS 111 HG CYS 111 13.956 2.039 2.151 880 H GLU 112 H GLU 112 14.208 0.489 0.014 881 HA GLU 112 HA GLU 112 11.344 -0.220 -0.156 882 1HB GLU 112 1HB GLU 112 12.084 -2.433 0.535 883 2HB GLU 112 2HB GLU 112 12.925 -1.900 -0.904 884 1HG GLU 112 1HG GLU 112 14.193 -1.627 1.852 885 2HG GLU 112 2HG GLU 112 14.208 -3.151 0.984 886 H ILE 113 H ILE 113 10.441 -1.396 1.858 887 HA ILE 113 HA ILE 113 11.111 0.239 4.277 888 HB ILE 113 HB ILE 113 8.352 -0.441 3.234 889 1HG1 ILE 113 1HG1 ILE 113 9.837 2.219 3.092 890 2HG1 ILE 113 2HG1 ILE 113 9.440 1.184 1.720 891 1HG2 ILE 113 1HG2 ILE 113 7.525 1.107 4.958 892 2HG2 ILE 113 2HG2 ILE 113 8.419 -0.215 5.674 893 3HG2 ILE 113 3HG2 ILE 113 9.188 1.381 5.520 894 1HD1 ILE 113 1HD1 ILE 113 7.012 1.499 2.185 895 2HD1 ILE 113 2HD1 ILE 113 7.461 2.708 3.415 896 3HD1 ILE 113 3HD1 ILE 113 7.889 2.974 1.724 897 HA PRO 114 HA PRO 114 11.203 -3.751 6.371 898 1HB PRO 114 1HB PRO 114 10.047 -2.157 8.662 899 2HB PRO 114 2HB PRO 114 11.388 -3.343 8.680 900 1HG PRO 114 1HG PRO 114 11.914 -0.685 8.706 901 2HG PRO 114 2HG PRO 114 12.881 -1.783 7.668 902 1HD PRO 114 1HD PRO 114 10.586 0.013 6.879 903 2HD PRO 114 2HD PRO 114 12.143 -0.278 6.045 904 H ASP 115 H ASP 115 9.736 -5.225 7.616 905 HA ASP 115 HA ASP 115 6.882 -4.944 6.759 906 1HB ASP 115 1HB ASP 115 7.960 -6.528 5.345 907 2HB ASP 115 2HB ASP 115 8.736 -7.324 6.714 908 HA PRO 116 HA PRO 116 6.875 -5.193 11.312 909 1HB PRO 116 1HB PRO 116 3.968 -4.564 10.861 910 2HB PRO 116 2HB PRO 116 5.122 -3.837 12.029 911 1HG PRO 116 1HG PRO 116 4.408 -2.505 9.782 912 2HG PRO 116 2HG PRO 116 6.120 -2.528 10.335 913 1HD PRO 116 1HD PRO 116 4.810 -4.262 8.213 914 2HD PRO 116 2HD PRO 116 6.346 -3.355 8.128 915 H TYR 117 H TYR 117 5.219 -7.286 9.069 916 HA TYR 117 HA TYR 117 3.293 -8.518 10.579 917 1HB TYR 117 1HB TYR 117 3.747 -8.873 8.186 918 2HB TYR 117 2HB TYR 117 5.223 -9.752 8.581 919 HD1 TYR 117 HD1 TYR 117 5.107 -12.096 8.701 920 HD2 TYR 117 HD2 TYR 117 1.536 -9.762 9.276 921 HE1 TYR 117 HE1 TYR 117 3.768 -14.190 8.789 922 HE2 TYR 117 HE2 TYR 117 0.179 -11.843 9.395 923 HH TYR 117 HH TYR 117 0.211 -14.178 9.313 924 H ARG 118 H ARG 118 3.243 -9.688 12.386 925 HA ARG 118 HA ARG 118 3.828 -10.804 14.223 926 1HB ARG 118 1HB ARG 118 5.762 -12.252 12.379 927 2HB ARG 118 2HB ARG 118 5.293 -12.782 13.997 928 1HG ARG 118 1HG ARG 118 2.937 -12.972 13.306 929 2HG ARG 118 2HG ARG 118 3.345 -12.396 11.688 930 1HD ARG 118 1HD ARG 118 3.158 -14.797 11.593 931 2HD ARG 118 2HD ARG 118 4.843 -14.347 11.360 932 HE ARG 118 HE ARG 118 5.435 -15.365 13.332 933 1HH1 ARG 118 2HH1 ARG 118 1.889 -15.270 13.165 934 2HH1 ARG 118 1HH1 ARG 118 1.655 -16.326 14.507 935 1HH2 ARG 118 1HH2 ARG 118 5.126 -16.765 15.123 936 2HH2 ARG 118 2HH2 ARG 118 3.541 -17.196 15.640 937 H LYS 119 H LYS 119 5.251 -8.224 13.748 938 HA LYS 119 HA LYS 119 7.423 -8.701 15.756 939 1HB LYS 119 1HB LYS 119 7.369 -6.635 13.522 940 2HB LYS 119 2HB LYS 119 8.624 -6.786 14.753 941 1HG LYS 119 1HG LYS 119 9.277 -8.986 13.953 942 2HG LYS 119 2HG LYS 119 7.928 -9.024 12.826 943 1HD LYS 119 1HD LYS 119 8.951 -6.927 11.723 944 2HD LYS 119 2HD LYS 119 10.392 -7.281 12.689 945 1HE LYS 119 1HE LYS 119 10.733 -8.325 10.564 946 2HE LYS 119 2HE LYS 119 10.369 -9.629 11.700 947 1HZ LYS 119 1HZ LYS 119 9.132 -9.886 9.641 948 2HZ LYS 119 2HZ LYS 119 8.047 -9.574 10.837 949 3HZ LYS 119 3HZ LYS 119 8.471 -8.390 9.788 950 H SER 120 H SER 120 7.953 -6.518 16.884 951 HA SER 120 HA SER 120 5.728 -6.048 18.549 952 1HB SER 120 1HB SER 120 8.260 -4.371 18.312 953 2HB SER 120 2HB SER 120 7.239 -4.579 19.747 954 HG SER 120 HG SER 120 9.109 -5.906 19.809 955 H ARG 121 H ARG 121 4.716 -3.950 19.113 956 HA ARG 121 HA ARG 121 3.587 -2.678 16.860 957 1HB ARG 121 1HB ARG 121 2.580 -1.082 18.376 958 2HB ARG 121 2HB ARG 121 2.378 -2.720 18.965 959 1HG ARG 121 1HG ARG 121 3.689 -2.410 20.822 960 2HG ARG 121 2HG ARG 121 4.750 -1.248 20.065 961 1HD ARG 121 1HD ARG 121 1.908 -0.701 21.009 962 2HD ARG 121 2HD ARG 121 3.379 -0.226 21.854 963 HE ARG 121 HE ARG 121 2.048 1.237 19.823 964 1HH1 ARG 121 1HH2 ARG 121 5.418 0.538 20.792 965 2HH1 ARG 121 2HH2 ARG 121 6.063 1.889 19.907 966 1HH2 ARG 121 1HH1 ARG 121 2.821 3.020 18.938 967 2HH2 ARG 121 2HH1 ARG 121 4.536 3.413 18.907 968 H GLU 122 H GLU 122 6.581 -1.825 18.561 969 HA GLU 122 HA GLU 122 6.669 0.839 17.535 970 1HB GLU 122 1HB GLU 122 8.024 -0.105 19.460 971 2HB GLU 122 2HB GLU 122 9.012 -0.959 18.279 972 1HG GLU 122 1HG GLU 122 10.101 1.099 19.006 973 2HG GLU 122 2HG GLU 122 9.730 1.176 17.290 974 H THR 123 H THR 123 7.438 -2.316 16.096 975 HA THR 123 HA THR 123 8.838 -1.294 13.794 976 HB THR 123 HB THR 123 7.101 -3.734 13.541 977 HG1 THR 123 1HG THR 123 7.701 -4.197 15.511 978 1HG2 THR 123 1HG2 THR 123 10.045 -3.199 12.954 979 2HG2 THR 123 2HG2 THR 123 9.140 -4.665 12.524 980 3HG2 THR 123 3HG2 THR 123 8.713 -3.115 11.778 981 H PHE 124 H PHE 124 5.376 -2.011 14.541 982 HA PHE 124 HA PHE 124 4.360 -1.199 11.989 983 1HB PHE 124 1HB PHE 124 3.112 -1.402 14.746 984 2HB PHE 124 2HB PHE 124 2.227 -0.788 13.364 985 HD1 PHE 124 HD1 PHE 124 1.324 -2.246 11.687 986 HD2 PHE 124 HD2 PHE 124 3.908 -3.815 14.768 987 HE1 PHE 124 HE1 PHE 124 0.640 -4.563 11.101 988 HE2 PHE 124 HE2 PHE 124 3.231 -6.114 14.159 989 HZ PHE 124 HZ PHE 124 1.588 -6.496 12.338 990 H ALA 125 H ALA 125 5.052 0.670 15.013 991 HA ALA 125 HA ALA 125 3.981 3.124 14.047 992 1HB ALA 125 1HB ALA 125 5.225 4.153 15.867 993 2HB ALA 125 2HB ALA 125 4.478 2.640 16.420 994 3HB ALA 125 3HB ALA 125 6.222 2.699 16.063 995 H ALA 126 H ALA 126 7.351 1.839 13.862 996 HA ALA 126 HA ALA 126 8.473 4.116 12.577 997 1HB ALA 126 1HB ALA 126 10.250 2.546 11.869 998 2HB ALA 126 2HB ALA 126 9.826 2.308 13.576 999 3HB ALA 126 3HB ALA 126 9.240 1.164 12.345 1000 H VAL 127 H VAL 127 7.050 1.100 11.178 1001 HA VAL 127 HA VAL 127 7.374 2.001 8.484 1002 HB VAL 127 HB VAL 127 5.709 -0.190 9.760 1003 1HG1 VAL 127 1HG1 VAL 127 5.486 -1.181 7.502 1004 2HG1 VAL 127 2HG1 VAL 127 4.620 0.353 7.618 1005 3HG1 VAL 127 3HG1 VAL 127 6.191 0.279 6.789 1006 1HG2 VAL 127 1HG2 VAL 127 7.534 -1.602 8.716 1007 2HG2 VAL 127 2HG2 VAL 127 8.333 -0.126 8.175 1008 3HG2 VAL 127 3HG2 VAL 127 8.169 -0.471 9.906 1009 H TYR 128 H TYR 128 4.597 2.373 10.803 1010 HA TYR 128 HA TYR 128 2.829 3.576 8.946 1011 1HB TYR 128 1HB TYR 128 2.192 2.904 11.236 1012 2HB TYR 128 2HB TYR 128 3.188 4.190 11.909 1013 HD1 TYR 128 HD1 TYR 128 2.571 6.651 11.335 1014 HD2 TYR 128 HD2 TYR 128 -0.065 3.310 10.621 1015 HE1 TYR 128 HE1 TYR 128 0.676 8.210 11.081 1016 HE2 TYR 128 HE2 TYR 128 -1.978 4.863 10.406 1017 HH TYR 128 HH TYR 128 -2.675 7.067 10.471 1018 H THR 129 H THR 129 5.531 5.027 10.876 1019 HA THR 129 HA THR 129 5.036 7.721 10.034 1020 HB THR 129 HB THR 129 7.680 6.418 10.826 1021 HG1 THR 129 1HG THR 129 6.146 6.023 12.421 1022 1HG2 THR 129 1HG2 THR 129 8.225 8.674 11.696 1023 2HG2 THR 129 2HG2 THR 129 7.962 8.700 9.948 1024 3HG2 THR 129 3HG2 THR 129 6.694 9.299 11.038 1025 H LEU 130 H LEU 130 7.061 5.102 8.581 1026 HA LEU 130 HA LEU 130 8.060 6.713 6.456 1027 1HB LEU 130 1HB LEU 130 8.613 4.203 7.316 1028 2HB LEU 130 2HB LEU 130 7.514 3.774 6.026 1029 HG LEU 130 HG LEU 130 9.667 3.651 5.119 1030 1HD1 LEU 130 1HD1 LEU 130 8.098 4.921 3.614 1031 2HD1 LEU 130 2HD1 LEU 130 8.841 6.428 4.189 1032 3HD1 LEU 130 3HD1 LEU 130 9.815 5.229 3.324 1033 1HD2 LEU 130 1HD2 LEU 130 11.398 5.377 5.294 1034 2HD2 LEU 130 2HD2 LEU 130 10.309 6.415 6.236 1035 3HD2 LEU 130 3HD2 LEU 130 10.861 4.864 6.900 1036 H LEU 131 H LEU 131 5.222 4.503 6.614 1037 HA LEU 131 HA LEU 131 4.270 4.940 3.993 1038 1HB LEU 131 1HB LEU 131 3.147 3.835 6.555 1039 2HB LEU 131 2HB LEU 131 2.016 4.295 5.298 1040 HG LEU 131 HG LEU 131 2.930 2.815 3.702 1041 1HD1 LEU 131 1HD1 LEU 131 5.322 2.887 4.157 1042 2HD1 LEU 131 2HD1 LEU 131 5.083 2.024 5.683 1043 3HD1 LEU 131 3HD1 LEU 131 4.750 1.217 4.141 1044 1HD2 LEU 131 1HD2 LEU 131 2.467 0.641 4.809 1045 2HD2 LEU 131 2HD2 LEU 131 2.611 1.430 6.394 1046 3HD2 LEU 131 3HD2 LEU 131 1.309 1.891 5.271 1047 H GLU 132 H GLU 132 3.599 6.766 7.033 1048 HA GLU 132 HA GLU 132 1.555 8.392 5.910 1049 1HB GLU 132 1HB GLU 132 1.959 8.188 8.301 1050 2HB GLU 132 2HB GLU 132 3.538 8.955 8.162 1051 1HG GLU 132 1HG GLU 132 1.022 10.377 7.240 1052 2HG GLU 132 2HG GLU 132 1.407 10.298 8.951 1053 H ARG 133 H ARG 133 5.120 8.863 6.142 1054 HA ARG 133 HA ARG 133 5.227 11.308 4.745 1055 1HB ARG 133 1HB ARG 133 7.101 9.265 5.665 1056 2HB ARG 133 2HB ARG 133 7.473 9.611 3.985 1057 1HG ARG 133 1HG ARG 133 7.282 12.113 4.686 1058 2HG ARG 133 2HG ARG 133 7.409 11.473 6.345 1059 1HD ARG 133 1HD ARG 133 9.633 12.123 5.571 1060 2HD ARG 133 2HD ARG 133 9.563 10.351 5.658 1061 HE ARG 133 HE ARG 133 8.841 11.437 3.037 1062 1HH1 ARG 133 1HH2 ARG 133 11.665 10.387 4.988 1063 2HH1 ARG 133 2HH2 ARG 133 12.552 9.924 3.548 1064 1HH2 ARG 133 1HH1 ARG 133 10.096 10.873 1.267 1065 2HH2 ARG 133 2HH1 ARG 133 11.742 10.292 1.511 1066 H SER 134 H SER 134 5.658 8.043 3.438 1067 HA SER 134 HA SER 134 5.919 8.970 0.761 1068 1HB SER 134 1HB SER 134 5.402 6.455 0.235 1069 2HB SER 134 2HB SER 134 6.936 6.964 0.958 1070 HG SER 134 HG SER 134 6.103 6.330 3.005 1071 H ALA 135 H ALA 135 2.987 7.833 2.508 1072 HA ALA 135 HA ALA 135 1.236 7.945 0.257 1073 1HB ALA 135 1HB ALA 135 0.547 6.905 2.382 1074 2HB ALA 135 2HB ALA 135 0.683 8.472 3.212 1075 3HB ALA 135 3HB ALA 135 -0.552 8.234 1.964 1076 H ARG 136 H ARG 136 2.270 10.458 2.658 1077 HA ARG 136 HA ARG 136 0.541 12.495 1.638 1078 1HB ARG 136 1HB ARG 136 1.762 12.391 3.878 1079 2HB ARG 136 2HB ARG 136 3.234 12.870 3.020 1080 1HG ARG 136 1HG ARG 136 2.005 14.970 2.286 1081 2HG ARG 136 2HG ARG 136 0.617 14.420 3.240 1082 1HD ARG 136 1HD ARG 136 1.774 15.937 4.641 1083 2HD ARG 136 2HD ARG 136 2.158 14.340 5.271 1084 HE ARG 136 HE ARG 136 3.917 16.061 3.562 1085 1HH1 ARG 136 1HH2 ARG 136 3.750 13.448 6.053 1086 2HH1 ARG 136 2HH2 ARG 136 5.427 13.594 6.416 1087 1HH2 ARG 136 1HH1 ARG 136 6.131 16.090 4.012 1088 2HH2 ARG 136 2HH1 ARG 136 6.814 15.045 5.194 1089 H GLN 137 H GLN 137 3.943 11.580 0.847 1090 HA GLN 137 HA GLN 137 4.312 13.605 -1.115 1091 1HB GLN 137 1HB GLN 137 5.648 10.893 -0.744 1092 2HB GLN 137 2HB GLN 137 6.139 12.092 -1.953 1093 1HG GLN 137 1HG GLN 137 6.545 13.758 -0.186 1094 2HG GLN 137 2HG GLN 137 6.079 12.594 1.052 1095 1HE2 GLN 137 2HE2 GLN 137 8.621 13.551 -1.203 1096 2HE2 GLN 137 1HE2 GLN 137 9.791 12.347 -0.708 1097 H TRP 138 H TRP 138 3.073 10.205 -1.464 1098 HA TRP 138 HA TRP 138 2.634 10.310 -4.238 1099 1HB TRP 138 1HB TRP 138 1.536 8.696 -1.958 1100 2HB TRP 138 2HB TRP 138 0.538 8.782 -3.394 1101 HD1 TRP 138 HD1 TRP 138 3.387 6.844 -2.078 1102 HE1 TRP 138 HE1 TRP 138 4.519 5.471 -3.928 1103 HE3 TRP 138 HE3 TRP 138 1.082 8.925 -6.125 1104 HZ2 TRP 138 HZ2 TRP 138 4.486 5.372 -6.828 1105 HZ3 TRP 138 HZ3 TRP 138 1.635 8.178 -8.428 1106 HH2 TRP 138 HH2 TRP 138 3.347 6.416 -8.788 1107 H ALA 139 H ALA 139 0.406 11.331 -1.577 1108 HA ALA 139 HA ALA 139 -1.691 12.144 -3.296 1109 1HB ALA 139 1HB ALA 139 -1.988 11.813 -0.883 1110 2HB ALA 139 2HB ALA 139 -0.896 13.174 -0.533 1111 3HB ALA 139 3HB ALA 139 -2.448 13.471 -1.334 1112 H GLN 140 H GLN 140 1.050 14.033 -1.915 1113 HA GLN 140 HA GLN 140 0.346 16.533 -2.992 1114 1HB GLN 140 1HB GLN 140 1.986 16.271 -1.227 1115 2HB GLN 140 2HB GLN 140 3.032 15.302 -2.264 1116 1HG GLN 140 1HG GLN 140 3.972 17.495 -2.007 1117 2HG GLN 140 2HG GLN 140 3.504 17.269 -3.680 1118 1HE2 GLN 140 2HE2 GLN 140 1.486 18.386 -4.448 1119 2HE2 GLN 140 1HE2 GLN 140 0.982 19.851 -3.626 1120 H ALA 141 H ALA 141 2.283 13.853 -4.448 1121 HA ALA 141 HA ALA 141 2.929 15.279 -6.849 1122 1HB ALA 141 1HB ALA 141 2.678 12.285 -6.285 1123 2HB ALA 141 2HB ALA 141 3.401 13.007 -7.733 1124 3HB ALA 141 3HB ALA 141 4.145 13.273 -6.144 1125 H LEU 142 H LEU 142 0.428 12.745 -6.219 1126 HA LEU 142 HA LEU 142 -0.720 12.794 -8.774 1127 1HB LEU 142 1HB LEU 142 -1.831 12.085 -6.035 1128 2HB LEU 142 2HB LEU 142 -2.791 11.879 -7.490 1129 HG LEU 142 HG LEU 142 -0.070 10.570 -7.137 1130 1HD1 LEU 142 1HD1 LEU 142 -1.603 9.762 -5.387 1131 2HD1 LEU 142 2HD1 LEU 142 -2.848 9.429 -6.612 1132 3HD1 LEU 142 3HD1 LEU 142 -1.335 8.500 -6.599 1133 1HD2 LEU 142 1HD2 LEU 142 -2.365 10.011 -9.069 1134 2HD2 LEU 142 2HD2 LEU 142 -0.794 10.737 -9.487 1135 3HD2 LEU 142 3HD2 LEU 142 -0.868 9.064 -8.931 1136 H ASN 143 H ASN 143 -1.516 14.829 -5.964 1137 HA ASN 143 HA ASN 143 -3.867 15.995 -6.915 1138 1HB ASN 143 1HB ASN 143 -3.002 16.173 -4.612 1139 2HB ASN 143 2HB ASN 143 -1.696 17.220 -5.179 1140 1HD2 ASN 143 2HD2 ASN 143 -2.160 19.317 -4.544 1141 2HD2 ASN 143 1HD2 ASN 143 -3.738 20.055 -4.622 1142 H ALA 144 H ALA 144 -0.632 16.515 -8.195 1143 HA ALA 144 HA ALA 144 -1.751 18.508 -10.031 1144 1HB ALA 144 1HB ALA 144 0.778 19.020 -8.397 1145 2HB ALA 144 2HB ALA 144 0.097 20.094 -9.644 1146 3HB ALA 144 3HB ALA 144 -0.792 19.822 -8.135 1147 H GLU 145 H GLU 145 -0.931 15.756 -10.199 1148 HA GLU 145 HA GLU 145 0.737 15.986 -12.632 1149 1HB GLU 145 1HB GLU 145 1.313 13.971 -10.408 1150 2HB GLU 145 2HB GLU 145 1.945 13.891 -12.057 1151 1HG GLU 145 1HG GLU 145 3.013 16.123 -11.756 1152 2HG GLU 145 2HG GLU 145 2.459 16.147 -10.081 1153 H GLN 146 H GLN 146 -1.689 16.156 -12.920 1154 HA GLN 146 HA GLN 146 -2.837 13.534 -13.479 1155 1HB GLN 146 1HB GLN 146 -4.952 14.366 -12.474 1156 2HB GLN 146 2HB GLN 146 -3.615 14.257 -11.312 1157 1HG GLN 146 1HG GLN 146 -3.326 16.681 -11.341 1158 2HG GLN 146 2HG GLN 146 -4.592 16.843 -12.571 1159 1HE2 GLN 146 2HE2 GLN 146 -4.151 15.210 -9.352 1160 2HE2 GLN 146 1HE2 GLN 146 -5.727 15.694 -8.732 1161 H VAL 147 H VAL 147 -4.159 13.413 -15.149 1162 HA VAL 147 HA VAL 147 -4.624 15.595 -17.028 1163 HB VAL 147 HB VAL 147 -3.472 14.102 -18.788 1164 1HG1 VAL 147 1HG1 VAL 147 -1.315 15.165 -18.528 1165 2HG1 VAL 147 2HG1 VAL 147 -2.575 16.305 -18.036 1166 3HG1 VAL 147 3HG1 VAL 147 -1.602 15.466 -16.806 1167 1HG2 VAL 147 1HG2 VAL 147 -3.064 12.085 -17.387 1168 2HG2 VAL 147 2HG2 VAL 147 -1.563 12.726 -18.063 1169 3HG2 VAL 147 3HG2 VAL 147 -1.954 13.011 -16.355
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