NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17083 | 2b89 | 6805 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 1HT VAL 1 0.227 -11.980 18.624 2 2H VAL 1 2HT VAL 1 0.421 -10.569 17.699 3 3H VAL 1 3HT VAL 1 1.775 -11.503 18.121 4 HA VAL 1 HA VAL 1 0.958 -11.747 15.768 5 HB VAL 1 HB VAL 1 1.175 -14.276 15.869 6 1HG1 VAL 1 1HG1 VAL 1 3.502 -14.216 16.610 7 2HG1 VAL 1 2HG1 VAL 1 3.217 -12.710 17.481 8 3HG1 VAL 1 3HG1 VAL 1 3.132 -12.740 15.720 9 1HG2 VAL 1 1HG2 VAL 1 1.699 -15.284 18.054 10 2HG2 VAL 1 2HG2 VAL 1 0.086 -14.575 18.090 11 3HG2 VAL 1 3HG2 VAL 1 1.435 -13.734 18.852 12 H ASP 2 H ASP 2 -0.621 -12.664 14.417 13 HA ASP 2 HA ASP 2 -3.025 -13.857 15.475 14 1HB ASP 2 2HB ASP 2 -4.519 -12.037 14.543 15 2HB ASP 2 1HB ASP 2 -3.631 -11.595 15.998 16 H ASN 3 H ASN 3 -1.807 -11.999 12.696 17 HA ASN 3 HA ASN 3 -2.263 -14.288 10.920 18 1HB ASN 3 2HB ASN 3 -3.397 -11.529 10.364 19 2HB ASN 3 1HB ASN 3 -3.481 -12.924 9.292 20 1HD2 ASN 3 1HD2 ASN 3 -4.887 -11.435 12.139 21 2HD2 ASN 3 2HD2 ASN 3 -6.112 -12.589 12.367 22 H LYS 4 H LYS 4 -1.342 -13.784 8.694 23 HA LYS 4 HA LYS 4 1.284 -12.627 9.030 24 1HB LYS 4 2HB LYS 4 -0.020 -13.787 6.563 25 2HB LYS 4 1HB LYS 4 1.683 -13.366 6.720 26 1HG LYS 4 2HG LYS 4 1.871 -14.987 8.621 27 2HG LYS 4 1HG LYS 4 0.202 -15.476 8.324 28 1HD LYS 4 2HD LYS 4 0.842 -16.090 5.984 29 2HD LYS 4 1HD LYS 4 2.519 -15.708 6.375 30 1HE LYS 4 2HE LYS 4 2.455 -17.409 8.194 31 2HE LYS 4 1HE LYS 4 0.809 -17.826 7.717 32 1HZ LYS 4 1HZ LYS 4 2.400 -19.325 6.712 33 2HZ LYS 4 2HZ LYS 4 3.223 -18.021 5.998 34 3HZ LYS 4 3HZ LYS 4 1.639 -18.396 5.514 35 H PHE 5 H PHE 5 -1.602 -11.299 8.580 36 HA PHE 5 HA PHE 5 -1.522 -9.568 6.420 37 1HB PHE 5 2HB PHE 5 -2.666 -9.365 9.194 38 2HB PHE 5 1HB PHE 5 -2.757 -8.010 8.081 39 HD1 PHE 5 1HD PHE 5 -4.986 -7.852 7.466 40 HD2 PHE 5 2HD PHE 5 -3.043 -11.698 7.407 41 HE1 PHE 5 1HE PHE 5 -6.997 -8.838 6.422 42 HE2 PHE 5 2HE PHE 5 -5.074 -12.680 6.347 43 HZ PHE 5 HZ PHE 5 -7.041 -11.236 5.856 44 H ASN 6 H ASN 6 -0.557 -8.859 9.773 45 HA ASN 6 HA ASN 6 0.326 -6.271 9.400 46 1HB ASN 6 2HB ASN 6 1.469 -8.317 11.297 47 2HB ASN 6 1HB ASN 6 1.602 -6.567 11.447 48 1HD2 ASN 6 1HD2 ASN 6 0.006 -8.949 12.918 49 2HD2 ASN 6 2HD2 ASN 6 -1.505 -8.224 13.185 50 H LYS 7 H LYS 7 2.274 -9.259 9.232 51 HA LYS 7 HA LYS 7 4.726 -7.993 8.684 52 1HB LYS 7 2HB LYS 7 4.821 -10.238 9.358 53 2HB LYS 7 1HB LYS 7 3.657 -10.753 8.145 54 1HG LYS 7 2HG LYS 7 5.958 -11.441 7.536 55 2HG LYS 7 1HG LYS 7 5.295 -10.321 6.357 56 1HD LYS 7 2HD LYS 7 7.562 -9.635 6.800 57 2HD LYS 7 1HD LYS 7 6.514 -8.454 7.572 58 1HE LYS 7 2HE LYS 7 8.400 -9.146 9.027 59 2HE LYS 7 1HE LYS 7 6.836 -9.534 9.739 60 1HZ LYS 7 1HZ LYS 7 8.685 -11.313 9.701 61 2HZ LYS 7 2HZ LYS 7 8.236 -11.521 8.076 62 3HZ LYS 7 3HZ LYS 7 7.097 -11.770 9.313 63 H GLU 8 H GLU 8 2.164 -9.185 6.538 64 HA GLU 8 HA GLU 8 3.545 -8.584 4.106 65 1HB GLU 8 2HB GLU 8 1.239 -9.929 4.821 66 2HB GLU 8 1HB GLU 8 0.590 -8.468 4.094 67 1HG GLU 8 2HG GLU 8 0.840 -10.062 2.324 68 2HG GLU 8 1HG GLU 8 2.143 -8.897 2.129 69 H ARG 9 H ARG 9 1.384 -6.910 6.253 70 HA ARG 9 HA ARG 9 0.930 -4.630 4.650 71 1HB ARG 9 2HB ARG 9 0.369 -5.323 7.512 72 2HB ARG 9 1HB ARG 9 0.063 -3.703 6.886 73 1HG ARG 9 2HG ARG 9 -1.467 -4.512 5.259 74 2HG ARG 9 1HG ARG 9 -0.994 -6.185 5.510 75 1HD ARG 9 2HD ARG 9 -3.132 -5.775 6.588 76 2HD ARG 9 1HD ARG 9 -1.904 -6.048 7.822 77 HE ARG 9 HE ARG 9 -1.834 -3.588 8.124 78 1HH1 ARG 9 1HH2 ARG 9 -3.355 -2.642 5.783 79 2HH1 ARG 9 2HH2 ARG 9 -4.942 -2.374 6.420 80 1HH2 ARG 9 1HH1 ARG 9 -4.395 -4.259 9.274 81 2HH2 ARG 9 2HH1 ARG 9 -5.531 -3.288 8.398 82 H VAL 10 H VAL 10 3.320 -5.390 7.135 83 HA VAL 10 HA VAL 10 4.163 -2.736 7.646 84 HB VAL 10 HB VAL 10 5.996 -5.147 7.653 85 1HG1 VAL 10 1HG1 VAL 10 6.152 -2.729 9.454 86 2HG1 VAL 10 2HG1 VAL 10 6.839 -2.678 7.827 87 3HG1 VAL 10 3HG1 VAL 10 7.430 -3.858 9.004 88 1HG2 VAL 10 1HG2 VAL 10 3.757 -4.529 9.434 89 2HG2 VAL 10 2HG2 VAL 10 5.289 -4.671 10.295 90 3HG2 VAL 10 3HG2 VAL 10 4.721 -6.005 9.290 91 H ILE 11 H ILE 11 5.263 -5.266 5.583 92 HA ILE 11 HA ILE 11 7.342 -3.963 4.273 93 HB ILE 11 HB ILE 11 5.488 -6.186 3.386 94 1HG1 ILE 11 2HG1 ILE 11 8.253 -6.392 4.624 95 2HG1 ILE 11 1HG1 ILE 11 6.770 -6.474 5.584 96 1HG2 ILE 11 1HG2 ILE 11 6.784 -5.125 1.530 97 2HG2 ILE 11 2HG2 ILE 11 7.215 -6.818 1.824 98 3HG2 ILE 11 3HG2 ILE 11 8.272 -5.522 2.398 99 1HD1 ILE 11 1HD1 ILE 11 7.267 -8.274 3.194 100 2HD1 ILE 11 2HD1 ILE 11 6.041 -8.458 4.456 101 3HD1 ILE 11 3HD1 ILE 11 7.746 -8.719 4.836 102 H ALA 12 H ALA 12 3.968 -4.465 3.439 103 HA ALA 12 HA ALA 12 4.004 -3.040 0.994 104 1HB ALA 12 1HB ALA 12 1.474 -3.154 1.426 105 2HB ALA 12 2HB ALA 12 1.929 -4.118 2.844 106 3HB ALA 12 3HB ALA 12 2.382 -4.652 1.216 107 H ILE 13 H ILE 13 2.741 -2.129 4.238 108 HA ILE 13 HA ILE 13 1.777 0.396 3.451 109 HB ILE 13 HB ILE 13 1.270 -0.790 5.644 110 1HG1 ILE 13 2HG1 ILE 13 1.896 2.057 5.203 111 2HG1 ILE 13 1HG1 ILE 13 0.425 1.319 5.814 112 1HG2 ILE 13 1HG2 ILE 13 3.851 0.433 6.651 113 2HG2 ILE 13 2HG2 ILE 13 3.804 -1.209 6.046 114 3HG2 ILE 13 3HG2 ILE 13 2.823 -0.769 7.432 115 1HD1 ILE 13 1HD1 ILE 13 1.352 2.629 7.600 116 2HD1 ILE 13 2HD1 ILE 13 2.958 1.939 7.339 117 3HD1 ILE 13 3HD1 ILE 13 1.659 0.935 7.991 118 H GLY 14 H GLY 14 4.853 -0.820 4.517 119 1HA GLY 14 2HA GLY 14 6.202 1.623 4.782 120 2HA GLY 14 1HA GLY 14 6.954 0.032 4.571 121 H GLU 15 H GLU 15 5.630 -0.657 2.093 122 HA GLU 15 HA GLU 15 7.367 0.625 0.224 123 1HB GLU 15 2HB GLU 15 4.938 -1.146 -0.124 124 2HB GLU 15 1HB GLU 15 5.926 -0.593 -1.469 125 1HG GLU 15 2HG GLU 15 7.538 -1.790 0.655 126 2HG GLU 15 1HG GLU 15 6.312 -2.906 0.035 127 H ILE 16 H ILE 16 3.892 0.711 0.829 128 HA ILE 16 HA ILE 16 3.315 2.565 -1.181 129 HB ILE 16 HB ILE 16 1.769 1.348 1.047 130 1HG1 ILE 16 2HG1 ILE 16 1.418 1.324 -1.948 131 2HG1 ILE 16 1HG1 ILE 16 2.501 0.225 -1.120 132 1HG2 ILE 16 1HG2 ILE 16 -0.075 2.654 0.783 133 2HG2 ILE 16 2HG2 ILE 16 0.200 2.882 -0.956 134 3HG2 ILE 16 3HG2 ILE 16 1.055 3.882 0.218 135 1HD1 ILE 16 1HD1 ILE 16 -0.331 0.071 -1.454 136 2HD1 ILE 16 2HD1 ILE 16 0.053 0.132 0.272 137 3HD1 ILE 16 3HD1 ILE 16 0.754 -1.118 -0.747 138 H MET 17 H MET 17 3.832 2.949 2.273 139 HA MET 17 HA MET 17 3.048 5.670 2.424 140 1HB MET 17 2HB MET 17 4.803 3.928 4.172 141 2HB MET 17 1HB MET 17 4.471 5.625 4.554 142 1HG MET 17 2HG MET 17 2.296 3.575 4.044 143 2HG MET 17 1HG MET 17 2.890 3.968 5.653 144 1HE MET 17 1HE MET 17 -0.037 4.291 3.729 145 2HE MET 17 2HE MET 17 -0.780 5.461 4.820 146 3HE MET 17 3HE MET 17 0.082 4.072 5.478 147 H ARG 18 H ARG 18 5.848 4.129 1.148 148 HA ARG 18 HA ARG 18 7.734 6.258 1.427 149 1HB ARG 18 2HB ARG 18 8.424 3.941 1.001 150 2HB ARG 18 1HB ARG 18 7.581 3.961 -0.544 151 1HG ARG 18 2HG ARG 18 9.064 5.800 -1.315 152 2HG ARG 18 1HG ARG 18 9.942 5.707 0.216 153 1HD ARG 18 2HD ARG 18 10.448 3.311 -0.278 154 2HD ARG 18 1HD ARG 18 9.659 3.501 -1.842 155 HE ARG 18 HE ARG 18 11.647 5.495 -1.565 156 1HH1 ARG 18 1HH2 ARG 18 13.270 3.256 -0.511 157 2HH1 ARG 18 2HH2 ARG 18 13.908 2.523 -1.944 158 1HH2 ARG 18 1HH1 ARG 18 11.614 4.037 -4.052 159 2HH2 ARG 18 2HH1 ARG 18 12.970 2.965 -3.949 160 H LEU 19 H LEU 19 5.332 5.333 -0.939 161 HA LEU 19 HA LEU 19 5.929 6.732 -3.175 162 1HB LEU 19 2HB LEU 19 3.176 6.520 -1.965 163 2HB LEU 19 1HB LEU 19 3.578 6.683 -3.676 164 HG LEU 19 HG LEU 19 4.437 4.360 -1.919 165 1HD1 LEU 19 1HD1 LEU 19 2.800 3.015 -2.974 166 2HD1 LEU 19 2HD1 LEU 19 2.414 4.276 -4.152 167 3HD1 LEU 19 3HD1 LEU 19 1.957 4.474 -2.460 168 1HD2 LEU 19 1HD2 LEU 19 5.105 5.263 -4.652 169 2HD2 LEU 19 2HD2 LEU 19 4.766 3.536 -4.471 170 3HD2 LEU 19 3HD2 LEU 19 6.039 4.292 -3.504 171 HA PRO 20 HA PRO 20 5.928 10.908 -1.401 172 1HB PRO 20 2HB PRO 20 7.369 11.824 -3.717 173 2HB PRO 20 1HB PRO 20 7.981 11.560 -2.079 174 1HG PRO 20 2HG PRO 20 8.634 10.079 -4.327 175 2HG PRO 20 1HG PRO 20 8.917 9.603 -2.645 176 1HD PRO 20 2HD PRO 20 6.818 8.686 -4.538 177 2HD PRO 20 1HD PRO 20 7.557 7.837 -3.163 178 H ASN 21 H ASN 21 4.534 9.786 -4.376 179 HA ASN 21 HA ASN 21 3.630 12.482 -5.129 180 1HB ASN 21 2HB ASN 21 3.513 9.797 -6.431 181 2HB ASN 21 1HB ASN 21 2.375 11.017 -6.951 182 1HD2 ASN 21 1HD2 ASN 21 5.447 9.855 -7.537 183 2HD2 ASN 21 2HD2 ASN 21 6.116 11.223 -8.273 184 H LEU 22 H LEU 22 2.009 9.397 -4.578 185 HA LEU 22 HA LEU 22 -0.596 10.031 -4.536 186 1HB LEU 22 2HB LEU 22 0.876 8.305 -2.551 187 2HB LEU 22 1HB LEU 22 -0.880 8.300 -2.759 188 HG LEU 22 HG LEU 22 0.900 7.941 -5.149 189 1HD1 LEU 22 1HD1 LEU 22 1.627 6.361 -3.361 190 2HD1 LEU 22 2HD1 LEU 22 0.957 5.564 -4.780 191 3HD1 LEU 22 3HD1 LEU 22 -0.011 5.718 -3.313 192 1HD2 LEU 22 1HD2 LEU 22 -1.088 7.613 -6.124 193 2HD2 LEU 22 2HD2 LEU 22 -1.885 7.972 -4.589 194 3HD2 LEU 22 3HD2 LEU 22 -1.448 6.307 -4.987 195 H ASN 23 H ASN 23 -2.155 10.652 -3.124 196 HA ASN 23 HA ASN 23 -1.350 12.594 -1.077 197 1HB ASN 23 2HB ASN 23 -3.927 12.765 -0.863 198 2HB ASN 23 1HB ASN 23 -3.195 13.382 -2.343 199 1HD2 ASN 23 1HD2 ASN 23 -3.568 12.195 -4.331 200 2HD2 ASN 23 2HD2 ASN 23 -4.710 10.941 -4.421 201 H SER 24 H SER 24 -2.115 12.333 1.103 202 HA SER 24 HA SER 24 -1.458 9.906 2.198 203 1HB SER 24 2HB SER 24 -3.421 11.866 3.343 204 2HB SER 24 1HB SER 24 -2.547 10.607 4.226 205 HG SER 24 HG SER 24 -0.604 11.655 3.548 206 H LEU 25 H LEU 25 -4.624 10.950 1.011 207 HA LEU 25 HA LEU 25 -6.158 8.841 2.104 208 1HB LEU 25 2HB LEU 25 -6.516 10.450 -0.424 209 2HB LEU 25 1HB LEU 25 -7.702 9.314 0.191 210 HG LEU 25 HG LEU 25 -7.837 10.650 2.300 211 1HD1 LEU 25 1HD1 LEU 25 -5.828 11.853 2.518 212 2HD1 LEU 25 2HD1 LEU 25 -6.941 13.089 1.931 213 3HD1 LEU 25 3HD1 LEU 25 -5.813 12.322 0.815 214 1HD2 LEU 25 1HD2 LEU 25 -9.556 11.192 0.841 215 2HD2 LEU 25 2HD2 LEU 25 -8.442 11.741 -0.416 216 3HD2 LEU 25 3HD2 LEU 25 -8.760 12.761 0.991 217 H GLN 26 H GLN 26 -4.535 9.170 -1.064 218 HA GLN 26 HA GLN 26 -5.279 6.616 -1.976 219 1HB GLN 26 2HB GLN 26 -3.080 8.480 -2.693 220 2HB GLN 26 1HB GLN 26 -3.217 6.902 -3.438 221 1HG GLN 26 2HG GLN 26 -5.501 8.877 -3.331 222 2HG GLN 26 1HG GLN 26 -4.363 8.815 -4.686 223 1HE2 GLN 26 1HE2 GLN 26 -4.101 6.437 -5.608 224 2HE2 GLN 26 2HE2 GLN 26 -5.543 5.556 -5.772 225 H VAL 27 H VAL 27 -2.507 7.915 -0.335 226 HA VAL 27 HA VAL 27 -0.875 5.663 -0.192 227 HB VAL 27 HB VAL 27 -1.323 8.108 1.509 228 1HG1 VAL 27 1HG1 VAL 27 1.091 7.273 2.383 229 2HG1 VAL 27 2HG1 VAL 27 0.241 5.734 2.249 230 3HG1 VAL 27 3HG1 VAL 27 -0.427 7.034 3.253 231 1HG2 VAL 27 1HG2 VAL 27 1.140 8.428 0.697 232 2HG2 VAL 27 2HG2 VAL 27 -0.177 8.702 -0.444 233 3HG2 VAL 27 3HG2 VAL 27 0.727 7.190 -0.488 234 H VAL 28 H VAL 28 -3.454 6.880 1.819 235 HA VAL 28 HA VAL 28 -3.384 4.723 3.695 236 HB VAL 28 HB VAL 28 -5.469 6.844 3.303 237 1HG1 VAL 28 1HG1 VAL 28 -6.329 4.812 4.460 238 2HG1 VAL 28 2HG1 VAL 28 -6.124 6.136 5.614 239 3HG1 VAL 28 3HG1 VAL 28 -4.921 4.842 5.532 240 1HG2 VAL 28 1HG2 VAL 28 -3.650 6.774 5.636 241 2HG2 VAL 28 2HG2 VAL 28 -4.127 8.146 4.630 242 3HG2 VAL 28 3HG2 VAL 28 -2.837 7.056 4.095 243 H ALA 29 H ALA 29 -5.115 5.468 0.833 244 HA ALA 29 HA ALA 29 -7.239 3.686 0.876 245 1HB ALA 29 1HB ALA 29 -5.514 4.181 -1.549 246 2HB ALA 29 2HB ALA 29 -6.531 5.463 -0.875 247 3HB ALA 29 3HB ALA 29 -7.266 3.969 -1.461 248 H PHE 30 H PHE 30 -3.861 3.357 0.116 249 HA PHE 30 HA PHE 30 -4.010 0.678 -0.729 250 1HB PHE 30 2HB PHE 30 -1.860 2.595 0.016 251 2HB PHE 30 1HB PHE 30 -1.518 0.897 -0.217 252 HD1 PHE 30 1HD PHE 30 -1.937 3.979 -1.827 253 HD2 PHE 30 2HD PHE 30 -2.524 -0.216 -2.344 254 HE1 PHE 30 1HE PHE 30 -2.165 4.331 -4.215 255 HE2 PHE 30 2HE PHE 30 -2.671 0.105 -4.778 256 HZ PHE 30 HZ PHE 30 -2.521 2.384 -5.748 257 H ILE 31 H ILE 31 -3.322 2.392 2.337 258 HA ILE 31 HA ILE 31 -2.431 0.120 3.770 259 HB ILE 31 HB ILE 31 -4.279 2.272 4.870 260 1HG1 ILE 31 2HG1 ILE 31 -1.255 2.177 4.996 261 2HG1 ILE 31 1HG1 ILE 31 -2.156 3.186 3.869 262 1HG2 ILE 31 1HG2 ILE 31 -3.113 1.634 7.029 263 2HG2 ILE 31 2HG2 ILE 31 -2.416 0.262 6.170 264 3HG2 ILE 31 3HG2 ILE 31 -4.165 0.384 6.366 265 1HD1 ILE 31 1HD1 ILE 31 -1.545 3.739 6.607 266 2HD1 ILE 31 2HD1 ILE 31 -3.291 3.531 6.481 267 3HD1 ILE 31 3HD1 ILE 31 -2.476 4.731 5.489 268 H ASN 32 H ASN 32 -5.557 1.403 2.898 269 HA ASN 32 HA ASN 32 -7.175 -0.473 4.301 270 1HB ASN 32 2HB ASN 32 -7.552 1.580 2.170 271 2HB ASN 32 1HB ASN 32 -8.845 0.413 2.443 272 1HD2 ASN 32 1HD2 ASN 32 -6.916 2.966 4.013 273 2HD2 ASN 32 2HD2 ASN 32 -8.013 3.248 5.277 274 H SER 33 H SER 33 -5.833 -0.441 1.013 275 HA SER 33 HA SER 33 -7.341 -2.638 0.071 276 1HB SER 33 2HB SER 33 -4.600 -1.768 -0.831 277 2HB SER 33 1HB SER 33 -5.783 -2.702 -1.743 278 HG SER 33 HG SER 33 -5.580 -0.246 -1.981 279 H LEU 34 H LEU 34 -4.306 -2.360 1.831 280 HA LEU 34 HA LEU 34 -3.331 -4.997 1.492 281 1HB LEU 34 2HB LEU 34 -3.027 -3.640 4.160 282 2HB LEU 34 1HB LEU 34 -1.888 -4.665 3.298 283 HG LEU 34 HG LEU 34 -2.592 -1.797 2.737 284 1HD1 LEU 34 1HD1 LEU 34 -0.899 -1.881 4.354 285 2HD1 LEU 34 2HD1 LEU 34 -0.027 -1.673 2.834 286 3HD1 LEU 34 3HD1 LEU 34 -0.120 -3.263 3.585 287 1HD2 LEU 34 1HD2 LEU 34 -0.685 -2.250 0.930 288 2HD2 LEU 34 2HD2 LEU 34 -2.389 -2.477 0.542 289 3HD2 LEU 34 3HD2 LEU 34 -1.390 -3.865 0.960 290 H ARG 35 H ARG 35 -5.479 -3.691 4.012 291 HA ARG 35 HA ARG 35 -5.802 -6.231 5.307 292 1HB ARG 35 2HB ARG 35 -7.630 -5.118 6.563 293 2HB ARG 35 1HB ARG 35 -6.114 -4.236 6.587 294 1HG ARG 35 2HG ARG 35 -6.936 -2.771 4.774 295 2HG ARG 35 1HG ARG 35 -8.482 -3.619 4.809 296 1HD ARG 35 2HD ARG 35 -8.711 -2.967 7.221 297 2HD ARG 35 1HD ARG 35 -7.231 -2.023 7.067 298 HE ARG 35 HE ARG 35 -8.543 -0.365 6.144 299 1HH1 ARG 35 1HH1 ARG 35 -11.071 -1.879 6.991 300 2HH1 ARG 35 2HH1 ARG 35 -11.946 -1.929 5.498 301 1HH2 ARG 35 1HH2 ARG 35 -9.202 -1.109 3.560 302 2HH2 ARG 35 2HH2 ARG 35 -10.888 -1.495 3.558 303 H ASP 36 H ASP 36 -7.491 -4.463 2.827 304 HA ASP 36 HA ASP 36 -9.794 -6.135 2.684 305 1HB ASP 36 2HB ASP 36 -8.470 -4.287 0.670 306 2HB ASP 36 1HB ASP 36 -10.000 -5.111 0.378 307 H ASP 37 H ASP 37 -6.507 -6.377 1.781 308 HA ASP 37 HA ASP 37 -6.728 -9.096 0.962 309 1HB ASP 37 2HB ASP 37 -7.630 -7.755 -1.052 310 2HB ASP 37 1HB ASP 37 -5.961 -7.271 -1.307 311 HA PRO 38 HA PRO 38 -2.515 -7.848 2.328 312 1HB PRO 38 2HB PRO 38 -2.214 -10.478 3.468 313 2HB PRO 38 1HB PRO 38 -2.368 -8.926 4.303 314 1HG PRO 38 2HG PRO 38 -4.249 -10.963 4.260 315 2HG PRO 38 1HG PRO 38 -4.510 -9.296 4.776 316 1HD PRO 38 2HD PRO 38 -5.356 -10.628 2.278 317 2HD PRO 38 1HD PRO 38 -6.027 -9.190 3.078 318 H SER 39 H SER 39 -3.671 -10.769 0.760 319 HA SER 39 HA SER 39 -1.205 -11.808 -0.152 320 1HB SER 39 2HB SER 39 -3.893 -12.051 -1.528 321 2HB SER 39 1HB SER 39 -2.519 -13.143 -1.670 322 HG SER 39 HG SER 39 -4.114 -12.627 0.622 323 H GLN 40 H GLN 40 -3.370 -9.309 -1.247 324 HA GLN 40 HA GLN 40 -1.834 -8.909 -3.697 325 1HB GLN 40 2HB GLN 40 -4.408 -7.672 -2.716 326 2HB GLN 40 1HB GLN 40 -3.612 -7.219 -4.220 327 1HG GLN 40 2HG GLN 40 -4.461 -10.050 -3.545 328 2HG GLN 40 1HG GLN 40 -5.426 -8.940 -4.513 329 1HE2 GLN 40 1HE2 GLN 40 -3.163 -11.403 -4.777 330 2HE2 GLN 40 2HE2 GLN 40 -2.551 -11.032 -6.316 331 H SER 41 H SER 41 -1.310 -8.106 -0.637 332 HA SER 41 HA SER 41 -1.029 -5.315 -0.525 333 1HB SER 41 2HB SER 41 0.527 -5.681 1.289 334 2HB SER 41 1HB SER 41 -0.687 -6.942 1.413 335 HG SER 41 HG SER 41 0.736 -8.397 0.763 336 H ALA 42 H ALA 42 0.857 -7.849 -1.961 337 HA ALA 42 HA ALA 42 3.162 -6.361 -2.651 338 1HB ALA 42 1HB ALA 42 3.662 -8.271 -4.105 339 2HB ALA 42 2HB ALA 42 2.016 -8.865 -3.877 340 3HB ALA 42 3HB ALA 42 3.133 -8.812 -2.512 341 H ASN 43 H ASN 43 0.113 -7.050 -4.249 342 HA ASN 43 HA ASN 43 0.772 -5.996 -6.829 343 1HB ASN 43 2HB ASN 43 -1.098 -7.596 -6.099 344 2HB ASN 43 1HB ASN 43 -1.914 -6.138 -5.540 345 1HD2 ASN 43 1HD2 ASN 43 -3.571 -6.738 -7.228 346 2HD2 ASN 43 2HD2 ASN 43 -3.302 -6.268 -8.837 347 H LEU 44 H LEU 44 -0.621 -4.924 -3.874 348 HA LEU 44 HA LEU 44 -1.782 -2.567 -4.780 349 1HB LEU 44 2HB LEU 44 -0.977 -3.543 -2.088 350 2HB LEU 44 1HB LEU 44 -1.826 -2.022 -2.312 351 HG LEU 44 HG LEU 44 -2.807 -4.547 -3.625 352 1HD1 LEU 44 1HD1 LEU 44 -4.513 -4.560 -1.686 353 2HD1 LEU 44 2HD1 LEU 44 -3.287 -3.661 -0.800 354 3HD1 LEU 44 3HD1 LEU 44 -2.929 -5.270 -1.414 355 1HD2 LEU 44 1HD2 LEU 44 -3.673 -2.481 -4.479 356 2HD2 LEU 44 2HD2 LEU 44 -4.069 -1.928 -2.843 357 3HD2 LEU 44 3HD2 LEU 44 -4.941 -3.289 -3.555 358 H LEU 45 H LEU 45 1.489 -3.077 -3.460 359 HA LEU 45 HA LEU 45 1.957 -0.221 -3.628 360 1HB LEU 45 2HB LEU 45 4.478 -1.529 -4.085 361 2HB LEU 45 1HB LEU 45 4.009 -0.488 -2.759 362 HG LEU 45 HG LEU 45 4.795 -2.567 -1.894 363 1HD1 LEU 45 1HD1 LEU 45 2.829 -3.333 -0.642 364 2HD1 LEU 45 2HD1 LEU 45 1.792 -2.431 -1.729 365 3HD1 LEU 45 3HD1 LEU 45 2.933 -1.577 -0.704 366 1HD2 LEU 45 1HD2 LEU 45 2.708 -4.216 -3.116 367 2HD2 LEU 45 2HD2 LEU 45 4.405 -4.570 -2.841 368 3HD2 LEU 45 3HD2 LEU 45 3.916 -3.600 -4.237 369 H ALA 46 H ALA 46 2.044 -3.006 -5.654 370 HA ALA 46 HA ALA 46 3.499 -2.000 -7.859 371 1HB ALA 46 1HB ALA 46 1.113 -3.619 -8.487 372 2HB ALA 46 2HB ALA 46 2.186 -4.345 -7.293 373 3HB ALA 46 3HB ALA 46 2.805 -3.918 -8.890 374 H GLU 47 H GLU 47 0.137 -1.884 -6.905 375 HA GLU 47 HA GLU 47 -0.914 -0.371 -9.063 376 1HB GLU 47 2HB GLU 47 -1.672 -1.284 -6.328 377 2HB GLU 47 1HB GLU 47 -2.570 0.088 -6.989 378 1HG GLU 47 2HG GLU 47 -3.478 -1.166 -8.720 379 2HG GLU 47 1HG GLU 47 -2.170 -2.348 -8.694 380 H ALA 48 H ALA 48 0.087 0.278 -5.798 381 HA ALA 48 HA ALA 48 -0.358 3.016 -5.632 382 1HB ALA 48 1HB ALA 48 0.308 1.226 -3.851 383 2HB ALA 48 2HB ALA 48 0.742 2.912 -3.628 384 3HB ALA 48 3HB ALA 48 1.939 1.762 -4.231 385 H LYS 49 H LYS 49 2.563 1.239 -6.489 386 HA LYS 49 HA LYS 49 4.191 3.521 -6.956 387 1HB LYS 49 2HB LYS 49 4.326 0.669 -7.979 388 2HB LYS 49 1HB LYS 49 5.548 1.883 -8.364 389 1HG LYS 49 2HG LYS 49 6.067 2.199 -6.012 390 2HG LYS 49 1HG LYS 49 4.743 1.149 -5.526 391 1HD LYS 49 2HD LYS 49 5.885 -0.727 -6.793 392 2HD LYS 49 1HD LYS 49 7.265 0.351 -7.009 393 1HE LYS 49 2HE LYS 49 7.536 0.550 -4.583 394 2HE LYS 49 1HE LYS 49 6.094 -0.427 -4.315 395 1HZ LYS 49 1HZ LYS 49 8.698 -1.269 -5.429 396 2HZ LYS 49 2HZ LYS 49 7.289 -2.187 -5.672 397 3HZ LYS 49 3HZ LYS 49 7.861 -1.905 -4.097 398 H LYS 50 H LYS 50 1.871 1.689 -8.885 399 HA LYS 50 HA LYS 50 2.412 3.051 -11.366 400 1HB LYS 50 2HB LYS 50 0.169 1.299 -10.345 401 2HB LYS 50 1HB LYS 50 0.071 2.097 -11.918 402 1HG LYS 50 2HG LYS 50 2.070 0.984 -12.683 403 2HG LYS 50 1HG LYS 50 2.397 0.344 -11.076 404 1HD LYS 50 2HD LYS 50 0.040 -0.768 -11.299 405 2HD LYS 50 1HD LYS 50 0.235 -0.451 -13.022 406 1HE LYS 50 2HE LYS 50 1.496 -2.310 -13.190 407 2HE LYS 50 1HE LYS 50 2.688 -1.571 -12.122 408 1HZ LYS 50 1HZ LYS 50 0.463 -3.379 -11.440 409 2HZ LYS 50 2HZ LYS 50 1.094 -2.321 -10.270 410 3HZ LYS 50 3HZ LYS 50 2.097 -3.482 -10.999 411 H LEU 51 H LEU 51 0.324 3.475 -8.608 412 HA LEU 51 HA LEU 51 -1.365 5.551 -9.577 413 1HB LEU 51 2HB LEU 51 -0.709 4.232 -7.035 414 2HB LEU 51 1HB LEU 51 -1.232 5.876 -6.886 415 HG LEU 51 HG LEU 51 -3.071 4.260 -6.671 416 1HD1 LEU 51 1HD1 LEU 51 -4.621 5.461 -8.093 417 2HD1 LEU 51 2HD1 LEU 51 -3.302 6.024 -9.116 418 3HD1 LEU 51 3HD1 LEU 51 -3.425 6.590 -7.441 419 1HD2 LEU 51 1HD2 LEU 51 -3.786 3.324 -9.057 420 2HD2 LEU 51 2HD2 LEU 51 -2.646 2.438 -8.035 421 3HD2 LEU 51 3HD2 LEU 51 -2.051 3.433 -9.366 422 H ASN 52 H ASN 52 1.549 5.400 -7.667 423 HA ASN 52 HA ASN 52 1.875 8.079 -6.985 424 1HB ASN 52 2HB ASN 52 3.081 6.221 -5.941 425 2HB ASN 52 1HB ASN 52 3.882 5.858 -7.462 426 1HD2 ASN 52 1HD2 ASN 52 5.515 7.429 -8.237 427 2HD2 ASN 52 2HD2 ASN 52 6.256 8.490 -7.138 428 H ASP 53 H ASP 53 3.099 6.153 -9.627 429 HA ASP 53 HA ASP 53 4.402 8.255 -10.976 430 1HB ASP 53 2HB ASP 53 3.532 5.517 -11.888 431 2HB ASP 53 1HB ASP 53 4.589 6.583 -12.809 432 H ALA 54 H ALA 54 1.246 6.712 -11.252 433 HA ALA 54 HA ALA 54 0.475 7.924 -13.725 434 1HB ALA 54 1HB ALA 54 -1.787 7.137 -13.060 435 2HB ALA 54 2HB ALA 54 -1.108 6.685 -11.496 436 3HB ALA 54 3HB ALA 54 -0.547 5.884 -12.970 437 H GLN 55 H GLN 55 -0.227 8.730 -10.337 438 HA GLN 55 HA GLN 55 -2.047 10.849 -11.091 439 1HB GLN 55 2HB GLN 55 -0.842 9.994 -8.461 440 2HB GLN 55 1HB GLN 55 -1.944 11.352 -8.631 441 1HG GLN 55 2HG GLN 55 -3.641 9.799 -9.608 442 2HG GLN 55 1HG GLN 55 -2.541 8.456 -9.283 443 1HE2 GLN 55 1HE2 GLN 55 -1.953 10.653 -6.846 444 2HE2 GLN 55 2HE2 GLN 55 -3.022 10.029 -5.677 445 H ALA 56 H ALA 56 1.081 10.551 -9.544 446 HA ALA 56 HA ALA 56 2.654 12.150 -8.973 447 1HB ALA 56 1HB ALA 56 3.520 13.391 -10.889 448 2HB ALA 56 2HB ALA 56 2.041 13.060 -11.795 449 3HB ALA 56 3HB ALA 56 3.128 11.739 -11.364 450 HA PRO 57 HA PRO 57 -0.759 15.274 -8.277 451 1HB PRO 57 2HB PRO 57 -0.646 14.763 -5.434 452 2HB PRO 57 1HB PRO 57 -1.980 14.492 -6.565 453 1HG PRO 57 2HG PRO 57 -0.541 12.512 -5.341 454 2HG PRO 57 1HG PRO 57 -1.469 12.328 -6.829 455 1HD PRO 57 2HD PRO 57 1.485 12.663 -6.499 456 2HD PRO 57 1HD PRO 57 0.588 11.691 -7.680 457 H LYS 58 H LYS 58 0.824 16.831 -8.878 458 HA LYS 58 HA LYS 58 2.901 17.685 -7.082 459 1HB LYS 58 2HB LYS 58 1.771 18.959 -9.590 460 2HB LYS 58 1HB LYS 58 3.207 19.524 -8.734 461 1HG LYS 58 2HG LYS 58 4.246 17.277 -9.062 462 2HG LYS 58 1HG LYS 58 2.836 16.791 -10.003 463 1HD LYS 58 2HD LYS 58 3.278 18.696 -11.568 464 2HD LYS 58 1HD LYS 58 4.757 19.042 -10.671 465 1HE LYS 58 2HE LYS 58 5.626 16.804 -11.190 466 2HE LYS 58 1HE LYS 58 4.130 16.404 -12.037 467 1HZ LYS 58 1HZ LYS 58 4.565 18.180 -13.599 468 2HZ LYS 58 2HZ LYS 58 5.879 17.103 -13.562 469 3HZ LYS 58 3HZ LYS 58 5.984 18.604 -12.773 Start of MODEL 2 1 1H VAL 1 1HT VAL 1 3.168 -14.882 16.140 2 2H VAL 1 2HT VAL 1 2.049 -13.636 15.851 3 3H VAL 1 3HT VAL 1 2.227 -14.899 14.729 4 HA VAL 1 HA VAL 1 1.450 -16.480 16.445 5 HB VAL 1 HB VAL 1 0.713 -13.917 17.909 6 1HG1 VAL 1 1HG1 VAL 1 -0.914 -15.697 18.270 7 2HG1 VAL 1 2HG1 VAL 1 0.076 -15.532 19.720 8 3HG1 VAL 1 3HG1 VAL 1 0.375 -16.858 18.595 9 1HG2 VAL 1 1HG2 VAL 1 3.096 -14.257 18.153 10 2HG2 VAL 1 2HG2 VAL 1 2.875 -15.984 18.438 11 3HG2 VAL 1 3HG2 VAL 1 2.333 -14.815 19.642 12 H ASP 2 H ASP 2 0.128 -13.263 15.679 13 HA ASP 2 HA ASP 2 -2.514 -14.286 15.106 14 1HB ASP 2 2HB ASP 2 -3.110 -12.023 14.678 15 2HB ASP 2 1HB ASP 2 -1.963 -11.962 16.012 16 H ASN 3 H ASN 3 -3.173 -12.813 12.814 17 HA ASN 3 HA ASN 3 -2.440 -14.594 10.737 18 1HB ASN 3 2HB ASN 3 -3.597 -11.801 10.503 19 2HB ASN 3 1HB ASN 3 -3.628 -13.050 9.261 20 1HD2 ASN 3 1HD2 ASN 3 -5.763 -11.639 11.159 21 2HD2 ASN 3 2HD2 ASN 3 -6.716 -12.955 11.650 22 H LYS 4 H LYS 4 -1.341 -13.989 8.712 23 HA LYS 4 HA LYS 4 1.192 -12.729 9.257 24 1HB LYS 4 2HB LYS 4 0.117 -13.833 6.660 25 2HB LYS 4 1HB LYS 4 1.794 -13.397 6.981 26 1HG LYS 4 2HG LYS 4 1.784 -15.079 8.873 27 2HG LYS 4 1HG LYS 4 0.201 -15.612 8.310 28 1HD LYS 4 2HD LYS 4 2.704 -15.580 6.590 29 2HD LYS 4 1HD LYS 4 2.090 -17.007 7.424 30 1HE LYS 4 2HE LYS 4 -0.132 -16.555 6.182 31 2HE LYS 4 1HE LYS 4 0.809 -15.470 5.157 32 1HZ LYS 4 1HZ LYS 4 1.496 -18.315 5.648 33 2HZ LYS 4 2HZ LYS 4 2.244 -17.258 4.547 34 3HZ LYS 4 3HZ LYS 4 0.641 -17.762 4.291 35 H PHE 5 H PHE 5 -1.652 -11.424 8.754 36 HA PHE 5 HA PHE 5 -1.547 -9.671 6.620 37 1HB PHE 5 2HB PHE 5 -2.793 -9.590 9.336 38 2HB PHE 5 1HB PHE 5 -2.825 -8.160 8.318 39 HD1 PHE 5 1HD PHE 5 -3.109 -11.812 7.484 40 HD2 PHE 5 2HD PHE 5 -4.967 -7.923 7.479 41 HE1 PHE 5 1HE PHE 5 -5.073 -12.723 6.240 42 HE2 PHE 5 2HE PHE 5 -6.903 -8.834 6.243 43 HZ PHE 5 HZ PHE 5 -6.957 -11.217 5.619 44 H ASN 6 H ASN 6 -0.668 -8.903 10.005 45 HA ASN 6 HA ASN 6 0.123 -6.296 9.566 46 1HB ASN 6 2HB ASN 6 1.293 -8.243 11.543 47 2HB ASN 6 1HB ASN 6 1.437 -6.491 11.616 48 1HD2 ASN 6 1HD2 ASN 6 -0.044 -8.581 13.393 49 2HD2 ASN 6 2HD2 ASN 6 -1.602 -7.927 13.546 50 H LYS 7 H LYS 7 2.237 -9.187 9.519 51 HA LYS 7 HA LYS 7 4.599 -7.774 8.963 52 1HB LYS 7 2HB LYS 7 4.782 -10.009 9.724 53 2HB LYS 7 1HB LYS 7 3.769 -10.620 8.423 54 1HG LYS 7 2HG LYS 7 6.185 -11.092 8.028 55 2HG LYS 7 1HG LYS 7 5.497 -10.076 6.768 56 1HD LYS 7 2HD LYS 7 7.583 -9.067 7.295 57 2HD LYS 7 1HD LYS 7 6.400 -8.068 8.124 58 1HE LYS 7 2HE LYS 7 6.819 -9.668 10.141 59 2HE LYS 7 1HE LYS 7 8.291 -10.101 9.267 60 1HZ LYS 7 1HZ LYS 7 7.487 -7.358 10.074 61 2HZ LYS 7 2HZ LYS 7 8.889 -7.755 9.200 62 3HZ LYS 7 3HZ LYS 7 8.702 -8.292 10.802 63 H GLU 8 H GLU 8 2.158 -9.195 6.823 64 HA GLU 8 HA GLU 8 3.561 -8.612 4.403 65 1HB GLU 8 2HB GLU 8 1.745 -10.318 4.665 66 2HB GLU 8 1HB GLU 8 0.586 -9.010 4.883 67 1HG GLU 8 2HG GLU 8 0.557 -9.768 2.569 68 2HG GLU 8 1HG GLU 8 1.186 -8.129 2.659 69 H ARG 9 H ARG 9 1.262 -6.939 6.410 70 HA ARG 9 HA ARG 9 0.793 -4.768 4.657 71 1HB ARG 9 2HB ARG 9 0.116 -5.272 7.545 72 2HB ARG 9 1HB ARG 9 -0.295 -3.766 6.722 73 1HG ARG 9 2HG ARG 9 -1.514 -5.037 5.001 74 2HG ARG 9 1HG ARG 9 -1.129 -6.541 5.800 75 1HD ARG 9 2HD ARG 9 -2.819 -4.283 6.894 76 2HD ARG 9 1HD ARG 9 -3.376 -5.883 6.404 77 HE ARG 9 HE ARG 9 -1.547 -6.468 8.316 78 1HH1 ARG 9 1HH1 ARG 9 -1.913 -3.812 9.572 79 2HH1 ARG 9 2HH1 ARG 9 -3.238 -4.071 10.655 80 1HH2 ARG 9 1HH2 ARG 9 -4.256 -7.006 9.125 81 2HH2 ARG 9 2HH2 ARG 9 -4.564 -5.879 10.402 82 H VAL 10 H VAL 10 3.079 -5.344 7.289 83 HA VAL 10 HA VAL 10 3.847 -2.652 7.739 84 HB VAL 10 HB VAL 10 5.714 -5.033 7.917 85 1HG1 VAL 10 1HG1 VAL 10 6.600 -2.612 7.986 86 2HG1 VAL 10 2HG1 VAL 10 7.051 -3.664 9.333 87 3HG1 VAL 10 3HG1 VAL 10 5.765 -2.476 9.537 88 1HG2 VAL 10 1HG2 VAL 10 4.900 -4.396 10.506 89 2HG2 VAL 10 2HG2 VAL 10 4.438 -5.819 9.575 90 3HG2 VAL 10 3HG2 VAL 10 3.405 -4.383 9.570 91 H ILE 11 H ILE 11 5.084 -5.227 5.802 92 HA ILE 11 HA ILE 11 7.203 -3.910 4.569 93 HB ILE 11 HB ILE 11 5.460 -6.214 3.667 94 1HG1 ILE 11 2HG1 ILE 11 8.175 -6.274 5.026 95 2HG1 ILE 11 1HG1 ILE 11 6.657 -6.388 5.924 96 1HG2 ILE 11 1HG2 ILE 11 7.260 -6.829 2.188 97 2HG2 ILE 11 2HG2 ILE 11 8.262 -5.495 2.771 98 3HG2 ILE 11 3HG2 ILE 11 6.803 -5.156 1.833 99 1HD1 ILE 11 1HD1 ILE 11 7.787 -8.609 5.263 100 2HD1 ILE 11 2HD1 ILE 11 7.295 -8.236 3.607 101 3HD1 ILE 11 3HD1 ILE 11 6.074 -8.447 4.867 102 H ALA 12 H ALA 12 3.879 -4.483 3.602 103 HA ALA 12 HA ALA 12 3.993 -3.126 1.116 104 1HB ALA 12 1HB ALA 12 1.437 -3.226 1.514 105 2HB ALA 12 2HB ALA 12 1.888 -4.209 2.923 106 3HB ALA 12 3HB ALA 12 2.361 -4.711 1.290 107 H ILE 13 H ILE 13 2.634 -2.140 4.298 108 HA ILE 13 HA ILE 13 1.690 0.368 3.431 109 HB ILE 13 HB ILE 13 1.098 -0.765 5.619 110 1HG1 ILE 13 2HG1 ILE 13 1.772 2.063 5.169 111 2HG1 ILE 13 1HG1 ILE 13 0.290 1.349 5.776 112 1HG2 ILE 13 1HG2 ILE 13 2.589 -0.722 7.467 113 2HG2 ILE 13 2HG2 ILE 13 3.693 0.396 6.664 114 3HG2 ILE 13 3HG2 ILE 13 3.569 -1.261 6.118 115 1HD1 ILE 13 1HD1 ILE 13 1.483 0.989 7.973 116 2HD1 ILE 13 2HD1 ILE 13 1.216 2.681 7.548 117 3HD1 ILE 13 3HD1 ILE 13 2.810 1.955 7.325 118 H GLY 14 H GLY 14 4.736 -0.825 4.610 119 1HA GLY 14 2HA GLY 14 6.083 1.624 4.856 120 2HA GLY 14 1HA GLY 14 6.838 0.030 4.690 121 H GLU 15 H GLU 15 5.545 -0.690 2.196 122 HA GLU 15 HA GLU 15 7.328 0.551 0.345 123 1HB GLU 15 2HB GLU 15 4.913 -1.230 -0.022 124 2HB GLU 15 1HB GLU 15 5.940 -0.709 -1.351 125 1HG GLU 15 2HG GLU 15 7.451 -1.857 0.890 126 2HG GLU 15 1HG GLU 15 6.298 -2.991 0.173 127 H ILE 16 H ILE 16 3.844 0.671 0.898 128 HA ILE 16 HA ILE 16 3.327 2.502 -1.161 129 HB ILE 16 HB ILE 16 1.728 1.325 1.051 130 1HG1 ILE 16 2HG1 ILE 16 1.374 1.317 -1.946 131 2HG1 ILE 16 1HG1 ILE 16 2.472 0.217 -1.132 132 1HG2 ILE 16 1HG2 ILE 16 0.192 2.888 -0.950 133 2HG2 ILE 16 2HG2 ILE 16 1.079 3.880 0.208 134 3HG2 ILE 16 3HG2 ILE 16 -0.075 2.684 0.790 135 1HD1 ILE 16 1HD1 ILE 16 -0.361 0.035 -1.449 136 2HD1 ILE 16 2HD1 ILE 16 0.029 0.100 0.277 137 3HD1 ILE 16 3HD1 ILE 16 0.746 -1.141 -0.747 138 H MET 17 H MET 17 3.760 2.929 2.298 139 HA MET 17 HA MET 17 3.031 5.655 2.423 140 1HB MET 17 2HB MET 17 4.789 3.917 4.173 141 2HB MET 17 1HB MET 17 4.441 5.610 4.554 142 1HG MET 17 2HG MET 17 2.263 3.573 4.020 143 2HG MET 17 1HG MET 17 2.885 3.889 5.636 144 1HE MET 17 1HE MET 17 -0.785 5.446 4.901 145 2HE MET 17 2HE MET 17 0.067 4.060 5.580 146 3HE MET 17 3HE MET 17 -0.040 4.242 3.833 147 H ARG 18 H ARG 18 5.824 4.082 1.156 148 HA ARG 18 HA ARG 18 7.717 6.216 1.406 149 1HB ARG 18 2HB ARG 18 8.386 3.880 1.108 150 2HB ARG 18 1HB ARG 18 7.562 3.823 -0.443 151 1HG ARG 18 2HG ARG 18 9.092 5.650 -1.252 152 2HG ARG 18 1HG ARG 18 9.991 5.490 0.261 153 1HD ARG 18 2HD ARG 18 9.480 3.245 -1.707 154 2HD ARG 18 1HD ARG 18 10.987 4.151 -1.591 155 HE ARG 18 HE ARG 18 11.286 3.193 0.643 156 1HH1 ARG 18 1HH1 ARG 18 10.629 1.039 -1.632 157 2HH1 ARG 18 2HH1 ARG 18 9.774 -0.116 -0.665 158 1HH2 ARG 18 1HH2 ARG 18 9.390 2.029 2.025 159 2HH2 ARG 18 2HH2 ARG 18 9.075 0.444 1.402 160 H LEU 19 H LEU 19 5.325 5.223 -0.927 161 HA LEU 19 HA LEU 19 5.981 6.509 -3.231 162 1HB LEU 19 2HB LEU 19 3.207 6.329 -2.077 163 2HB LEU 19 1HB LEU 19 3.640 6.441 -3.785 164 HG LEU 19 HG LEU 19 4.488 4.186 -1.935 165 1HD1 LEU 19 1HD1 LEU 19 2.027 4.271 -2.497 166 2HD1 LEU 19 2HD1 LEU 19 2.875 2.811 -2.998 167 3HD1 LEU 19 3HD1 LEU 19 2.495 4.062 -4.186 168 1HD2 LEU 19 1HD2 LEU 19 5.029 4.879 -4.798 169 2HD2 LEU 19 2HD2 LEU 19 4.952 3.180 -4.310 170 3HD2 LEU 19 3HD2 LEU 19 6.128 4.260 -3.553 171 HA PRO 20 HA PRO 20 5.846 10.804 -1.788 172 1HB PRO 20 2HB PRO 20 7.256 11.569 -4.178 173 2HB PRO 20 1HB PRO 20 7.887 11.445 -2.530 174 1HG PRO 20 2HG PRO 20 8.571 9.810 -4.659 175 2HG PRO 20 1HG PRO 20 8.856 9.461 -2.946 176 1HD PRO 20 2HD PRO 20 6.759 8.392 -4.770 177 2HD PRO 20 1HD PRO 20 7.538 7.639 -3.360 178 H ASN 21 H ASN 21 4.580 9.394 -4.687 179 HA ASN 21 HA ASN 21 3.333 11.957 -5.477 180 1HB ASN 21 2HB ASN 21 4.016 9.468 -6.958 181 2HB ASN 21 1HB ASN 21 2.791 10.549 -7.593 182 1HD2 ASN 21 1HD2 ASN 21 5.832 9.905 -8.251 183 2HD2 ASN 21 2HD2 ASN 21 6.477 11.456 -8.491 184 H LEU 22 H LEU 22 2.289 10.520 -3.260 185 HA LEU 22 HA LEU 22 -0.424 10.024 -4.291 186 1HB LEU 22 2HB LEU 22 1.091 8.331 -2.302 187 2HB LEU 22 1HB LEU 22 -0.668 8.259 -2.495 188 HG LEU 22 HG LEU 22 1.192 7.937 -4.852 189 1HD1 LEU 22 1HD1 LEU 22 -0.004 5.500 -3.731 190 2HD1 LEU 22 2HD1 LEU 22 1.225 6.227 -2.699 191 3HD1 LEU 22 3HD1 LEU 22 1.615 5.788 -4.360 192 1HD2 LEU 22 1HD2 LEU 22 -1.641 8.058 -4.424 193 2HD2 LEU 22 2HD2 LEU 22 -1.215 6.420 -4.935 194 3HD2 LEU 22 3HD2 LEU 22 -0.764 7.806 -5.943 195 H ASN 23 H ASN 23 -2.069 10.727 -3.018 196 HA ASN 23 HA ASN 23 -1.343 12.640 -0.932 197 1HB ASN 23 2HB ASN 23 -3.914 12.791 -0.746 198 2HB ASN 23 1HB ASN 23 -3.177 13.401 -2.223 199 1HD2 ASN 23 1HD2 ASN 23 -3.380 12.071 -4.187 200 2HD2 ASN 23 2HD2 ASN 23 -4.580 10.873 -4.291 201 H SER 24 H SER 24 -2.140 12.387 1.228 202 HA SER 24 HA SER 24 -1.425 10.010 2.397 203 1HB SER 24 2HB SER 24 -3.581 11.852 3.403 204 2HB SER 24 1HB SER 24 -2.600 10.720 4.356 205 HG SER 24 HG SER 24 -0.749 11.952 3.583 206 H LEU 25 H LEU 25 -4.563 10.963 1.151 207 HA LEU 25 HA LEU 25 -6.020 8.805 2.242 208 1HB LEU 25 2HB LEU 25 -6.675 10.376 -0.243 209 2HB LEU 25 1HB LEU 25 -7.788 9.489 0.787 210 HG LEU 25 HG LEU 25 -8.072 11.717 1.499 211 1HD1 LEU 25 1HD1 LEU 25 -5.879 11.052 3.408 212 2HD1 LEU 25 2HD1 LEU 25 -7.321 10.033 3.351 213 3HD1 LEU 25 3HD1 LEU 25 -7.466 11.747 3.730 214 1HD2 LEU 25 1HD2 LEU 25 -5.274 12.449 1.992 215 2HD2 LEU 25 2HD2 LEU 25 -6.580 13.398 1.283 216 3HD2 LEU 25 3HD2 LEU 25 -5.690 12.249 0.288 217 H GLN 26 H GLN 26 -4.345 9.218 -0.887 218 HA GLN 26 HA GLN 26 -5.205 6.715 -1.899 219 1HB GLN 26 2HB GLN 26 -2.978 8.567 -2.549 220 2HB GLN 26 1HB GLN 26 -3.091 7.002 -3.320 221 1HG GLN 26 2HG GLN 26 -5.407 8.936 -3.219 222 2HG GLN 26 1HG GLN 26 -4.228 8.960 -4.535 223 1HE2 GLN 26 1HE2 GLN 26 -3.814 6.450 -5.325 224 2HE2 GLN 26 2HE2 GLN 26 -5.254 5.617 -5.663 225 H VAL 27 H VAL 27 -2.426 7.943 -0.229 226 HA VAL 27 HA VAL 27 -0.812 5.682 -0.068 227 HB VAL 27 HB VAL 27 -1.282 8.150 1.594 228 1HG1 VAL 27 1HG1 VAL 27 0.196 5.756 2.449 229 2HG1 VAL 27 2HG1 VAL 27 -0.517 7.073 3.400 230 3HG1 VAL 27 3HG1 VAL 27 1.053 7.290 2.620 231 1HG2 VAL 27 1HG2 VAL 27 -0.006 8.718 -0.265 232 2HG2 VAL 27 2HG2 VAL 27 0.803 7.152 -0.320 233 3HG2 VAL 27 3HG2 VAL 27 1.259 8.338 0.903 234 H VAL 28 H VAL 28 -3.412 6.905 1.932 235 HA VAL 28 HA VAL 28 -3.368 4.714 3.777 236 HB VAL 28 HB VAL 28 -5.423 6.874 3.413 237 1HG1 VAL 28 1HG1 VAL 28 -6.029 6.174 5.759 238 2HG1 VAL 28 2HG1 VAL 28 -4.907 4.819 5.601 239 3HG1 VAL 28 3HG1 VAL 28 -6.349 4.900 4.580 240 1HG2 VAL 28 1HG2 VAL 28 -2.790 7.051 4.181 241 2HG2 VAL 28 2HG2 VAL 28 -3.576 6.730 5.728 242 3HG2 VAL 28 3HG2 VAL 28 -4.061 8.135 4.770 243 H ALA 29 H ALA 29 -5.085 5.522 0.911 244 HA ALA 29 HA ALA 29 -7.217 3.743 0.931 245 1HB ALA 29 1HB ALA 29 -7.234 4.026 -1.408 246 2HB ALA 29 2HB ALA 29 -5.483 4.261 -1.488 247 3HB ALA 29 3HB ALA 29 -6.520 5.526 -0.816 248 H PHE 30 H PHE 30 -3.844 3.416 0.114 249 HA PHE 30 HA PHE 30 -3.989 0.758 -0.755 250 1HB PHE 30 2HB PHE 30 -1.850 2.675 0.020 251 2HB PHE 30 1HB PHE 30 -1.489 0.979 -0.223 252 HD1 PHE 30 1HD PHE 30 -2.489 -0.144 -2.365 253 HD2 PHE 30 2HD PHE 30 -1.935 4.061 -1.813 254 HE1 PHE 30 1HE PHE 30 -2.640 0.204 -4.796 255 HE2 PHE 30 2HE PHE 30 -2.160 4.429 -4.196 256 HZ PHE 30 HZ PHE 30 -2.505 2.495 -5.743 257 H ILE 31 H ILE 31 -3.330 2.397 2.350 258 HA ILE 31 HA ILE 31 -2.427 0.106 3.734 259 HB ILE 31 HB ILE 31 -4.302 2.219 4.864 260 1HG1 ILE 31 2HG1 ILE 31 -1.281 2.145 4.970 261 2HG1 ILE 31 1HG1 ILE 31 -2.199 3.174 3.882 262 1HG2 ILE 31 1HG2 ILE 31 -4.154 0.279 6.313 263 2HG2 ILE 31 2HG2 ILE 31 -3.170 1.561 7.017 264 3HG2 ILE 31 3HG2 ILE 31 -2.398 0.235 6.149 265 1HD1 ILE 31 1HD1 ILE 31 -3.332 3.469 6.480 266 2HD1 ILE 31 2HD1 ILE 31 -2.465 4.678 5.545 267 3HD1 ILE 31 3HD1 ILE 31 -1.584 3.626 6.649 268 H ASN 32 H ASN 32 -5.565 1.342 2.828 269 HA ASN 32 HA ASN 32 -7.191 -0.548 4.193 270 1HB ASN 32 2HB ASN 32 -7.671 1.761 2.891 271 2HB ASN 32 1HB ASN 32 -8.117 0.624 1.623 272 1HD2 ASN 32 1HD2 ASN 32 -9.041 1.889 4.767 273 2HD2 ASN 32 2HD2 ASN 32 -10.510 1.045 4.883 274 H SER 33 H SER 33 -5.852 -0.496 0.901 275 HA SER 33 HA SER 33 -7.240 -2.756 -0.028 276 1HB SER 33 2HB SER 33 -4.513 -1.831 -0.908 277 2HB SER 33 1HB SER 33 -5.696 -2.751 -1.835 278 HG SER 33 HG SER 33 -5.468 -0.236 -1.922 279 H LEU 34 H LEU 34 -4.197 -2.399 1.719 280 HA LEU 34 HA LEU 34 -3.209 -5.033 1.401 281 1HB LEU 34 2HB LEU 34 -2.828 -3.690 4.056 282 2HB LEU 34 1HB LEU 34 -1.693 -4.639 3.104 283 HG LEU 34 HG LEU 34 -2.564 -1.801 2.632 284 1HD1 LEU 34 1HD1 LEU 34 -0.844 -1.694 4.172 285 2HD1 LEU 34 2HD1 LEU 34 0.055 -1.628 2.655 286 3HD1 LEU 34 3HD1 LEU 34 -0.058 -3.144 3.546 287 1HD2 LEU 34 1HD2 LEU 34 -2.331 -2.389 0.423 288 2HD2 LEU 34 2HD2 LEU 34 -1.338 -3.792 0.800 289 3HD2 LEU 34 3HD2 LEU 34 -0.623 -2.182 0.799 290 H ARG 35 H ARG 35 -5.317 -3.692 3.942 291 HA ARG 35 HA ARG 35 -5.601 -6.218 5.275 292 1HB ARG 35 2HB ARG 35 -7.345 -5.108 6.607 293 2HB ARG 35 1HB ARG 35 -5.869 -4.160 6.509 294 1HG ARG 35 2HG ARG 35 -6.864 -2.777 4.731 295 2HG ARG 35 1HG ARG 35 -8.362 -3.699 4.850 296 1HD ARG 35 2HD ARG 35 -8.503 -3.019 7.264 297 2HD ARG 35 1HD ARG 35 -7.094 -1.992 7.012 298 HE ARG 35 HE ARG 35 -8.420 -0.576 5.623 299 1HH1 ARG 35 1HH1 ARG 35 -10.319 -2.376 4.317 300 2HH1 ARG 35 2HH1 ARG 35 -11.803 -2.092 5.163 301 1HH2 ARG 35 1HH2 ARG 35 -10.274 -0.577 7.873 302 2HH2 ARG 35 2HH2 ARG 35 -11.778 -1.075 7.175 303 H ASP 36 H ASP 36 -7.349 -4.490 2.804 304 HA ASP 36 HA ASP 36 -9.664 -6.145 2.745 305 1HB ASP 36 2HB ASP 36 -8.347 -4.425 0.614 306 2HB ASP 36 1HB ASP 36 -9.911 -5.209 0.419 307 H ASP 37 H ASP 37 -6.393 -6.449 1.787 308 HA ASP 37 HA ASP 37 -6.639 -9.193 1.064 309 1HB ASP 37 2HB ASP 37 -7.618 -7.944 -0.960 310 2HB ASP 37 1HB ASP 37 -5.974 -7.417 -1.279 311 HA PRO 38 HA PRO 38 -2.383 -7.914 2.249 312 1HB PRO 38 2HB PRO 38 -2.002 -10.541 3.372 313 2HB PRO 38 1HB PRO 38 -2.139 -8.991 4.214 314 1HG PRO 38 2HG PRO 38 -3.997 -11.054 4.239 315 2HG PRO 38 1HG PRO 38 -4.248 -9.395 4.788 316 1HD PRO 38 2HD PRO 38 -5.216 -10.707 2.326 317 2HD PRO 38 1HD PRO 38 -5.837 -9.264 3.157 318 H SER 39 H SER 39 -3.558 -10.838 0.689 319 HA SER 39 HA SER 39 -1.101 -11.837 -0.297 320 1HB SER 39 2HB SER 39 -3.804 -12.090 -1.641 321 2HB SER 39 1HB SER 39 -2.425 -13.172 -1.795 322 HG SER 39 HG SER 39 -4.007 -12.676 0.510 323 H GLN 40 H GLN 40 -3.309 -9.341 -1.281 324 HA GLN 40 HA GLN 40 -1.879 -8.867 -3.775 325 1HB GLN 40 2HB GLN 40 -4.399 -7.701 -2.601 326 2HB GLN 40 1HB GLN 40 -3.663 -7.090 -4.080 327 1HG GLN 40 2HG GLN 40 -3.843 -9.324 -5.107 328 2HG GLN 40 1HG GLN 40 -4.560 -9.956 -3.631 329 1HE2 GLN 40 1HE2 GLN 40 -5.855 -6.938 -3.726 330 2HE2 GLN 40 2HE2 GLN 40 -7.241 -7.239 -4.656 331 H SER 41 H SER 41 -1.246 -8.128 -0.677 332 HA SER 41 HA SER 41 -0.915 -5.353 -0.515 333 1HB SER 41 2HB SER 41 0.666 -5.787 1.247 334 2HB SER 41 1HB SER 41 -0.496 -7.096 1.342 335 HG SER 41 HG SER 41 0.960 -8.462 0.593 336 H ALA 42 H ALA 42 0.884 -7.865 -2.059 337 HA ALA 42 HA ALA 42 3.237 -6.511 -2.795 338 1HB ALA 42 1HB ALA 42 2.843 -8.997 -2.775 339 2HB ALA 42 2HB ALA 42 3.584 -8.393 -4.260 340 3HB ALA 42 3HB ALA 42 1.856 -8.776 -4.226 341 H ASN 43 H ASN 43 0.166 -7.057 -4.378 342 HA ASN 43 HA ASN 43 0.819 -5.936 -6.918 343 1HB ASN 43 2HB ASN 43 -1.659 -6.626 -5.404 344 2HB ASN 43 1HB ASN 43 -1.735 -5.887 -7.001 345 1HD2 ASN 43 1HD2 ASN 43 -2.001 -8.847 -5.630 346 2HD2 ASN 43 2HD2 ASN 43 -1.325 -9.818 -6.846 347 H LEU 44 H LEU 44 -0.593 -4.876 -3.961 348 HA LEU 44 HA LEU 44 -1.737 -2.509 -4.852 349 1HB LEU 44 2HB LEU 44 -0.930 -3.487 -2.157 350 2HB LEU 44 1HB LEU 44 -1.808 -1.981 -2.392 351 HG LEU 44 HG LEU 44 -2.726 -4.528 -3.696 352 1HD1 LEU 44 1HD1 LEU 44 -4.436 -4.599 -1.783 353 2HD1 LEU 44 2HD1 LEU 44 -3.276 -3.621 -0.890 354 3HD1 LEU 44 3HD1 LEU 44 -2.823 -5.220 -1.466 355 1HD2 LEU 44 1HD2 LEU 44 -4.035 -1.923 -2.963 356 2HD2 LEU 44 2HD2 LEU 44 -4.889 -3.311 -3.644 357 3HD2 LEU 44 3HD2 LEU 44 -3.632 -2.505 -4.585 358 H LEU 45 H LEU 45 1.527 -3.017 -3.492 359 HA LEU 45 HA LEU 45 1.968 -0.156 -3.600 360 1HB LEU 45 2HB LEU 45 4.523 -1.387 -4.027 361 2HB LEU 45 1HB LEU 45 3.982 -0.441 -2.659 362 HG LEU 45 HG LEU 45 4.807 -2.577 -1.926 363 1HD1 LEU 45 1HD1 LEU 45 2.922 -1.600 -0.716 364 2HD1 LEU 45 2HD1 LEU 45 2.871 -3.362 -0.671 365 3HD1 LEU 45 3HD1 LEU 45 1.800 -2.477 -1.744 366 1HD2 LEU 45 1HD2 LEU 45 2.718 -4.185 -3.179 367 2HD2 LEU 45 2HD2 LEU 45 4.436 -4.504 -3.021 368 3HD2 LEU 45 3HD2 LEU 45 3.842 -3.471 -4.327 369 H ALA 46 H ALA 46 2.161 -2.877 -5.697 370 HA ALA 46 HA ALA 46 3.604 -1.768 -7.863 371 1HB ALA 46 1HB ALA 46 2.399 -4.178 -7.343 372 2HB ALA 46 2HB ALA 46 3.016 -3.699 -8.925 373 3HB ALA 46 3HB ALA 46 1.306 -3.486 -8.539 374 H GLU 47 H GLU 47 0.212 -1.841 -6.964 375 HA GLU 47 HA GLU 47 -0.877 -0.365 -9.126 376 1HB GLU 47 2HB GLU 47 -1.627 -1.337 -6.431 377 2HB GLU 47 1HB GLU 47 -2.489 0.108 -6.963 378 1HG GLU 47 2HG GLU 47 -3.524 -0.980 -8.719 379 2HG GLU 47 1HG GLU 47 -2.245 -2.186 -8.871 380 H ALA 48 H ALA 48 0.098 0.346 -5.873 381 HA ALA 48 HA ALA 48 -0.397 3.074 -5.756 382 1HB ALA 48 1HB ALA 48 0.721 3.025 -3.747 383 2HB ALA 48 2HB ALA 48 1.873 1.810 -4.313 384 3HB ALA 48 3HB ALA 48 0.221 1.351 -3.929 385 H LYS 49 H LYS 49 2.542 1.312 -6.631 386 HA LYS 49 HA LYS 49 4.160 3.608 -7.086 387 1HB LYS 49 2HB LYS 49 4.277 0.778 -8.159 388 2HB LYS 49 1HB LYS 49 5.459 2.006 -8.611 389 1HG LYS 49 2HG LYS 49 6.061 2.339 -6.257 390 2HG LYS 49 1HG LYS 49 4.848 1.172 -5.752 391 1HD LYS 49 2HD LYS 49 6.069 -0.524 -7.243 392 2HD LYS 49 1HD LYS 49 7.374 0.658 -7.335 393 1HE LYS 49 2HE LYS 49 6.293 -0.693 -4.845 394 2HE LYS 49 1HE LYS 49 7.906 -0.854 -5.532 395 1HZ LYS 49 1HZ LYS 49 6.726 1.594 -4.338 396 2HZ LYS 49 2HZ LYS 49 8.235 1.536 -5.116 397 3HZ LYS 49 3HZ LYS 49 7.977 0.651 -3.688 398 H LYS 50 H LYS 50 1.792 1.819 -8.971 399 HA LYS 50 HA LYS 50 2.254 3.194 -11.454 400 1HB LYS 50 2HB LYS 50 0.467 1.126 -10.451 401 2HB LYS 50 1HB LYS 50 -0.425 2.314 -11.396 402 1HG LYS 50 2HG LYS 50 0.284 0.824 -13.048 403 2HG LYS 50 1HG LYS 50 1.544 2.053 -13.107 404 1HD LYS 50 2HD LYS 50 2.831 0.112 -13.018 405 2HD LYS 50 1HD LYS 50 2.719 0.512 -11.306 406 1HE LYS 50 2HE LYS 50 0.597 -0.988 -11.303 407 2HE LYS 50 1HE LYS 50 1.199 -1.595 -12.846 408 1HZ LYS 50 1HZ LYS 50 3.227 -2.268 -11.807 409 2HZ LYS 50 2HZ LYS 50 1.936 -2.908 -10.907 410 3HZ LYS 50 3HZ LYS 50 2.782 -1.550 -10.336 411 H LEU 51 H LEU 51 0.259 3.622 -8.622 412 HA LEU 51 HA LEU 51 -1.411 5.730 -9.531 413 1HB LEU 51 2HB LEU 51 -0.665 4.524 -6.936 414 2HB LEU 51 1HB LEU 51 -1.241 6.161 -6.889 415 HG LEU 51 HG LEU 51 -3.006 4.447 -6.552 416 1HD1 LEU 51 1HD1 LEU 51 -3.431 6.764 -7.337 417 2HD1 LEU 51 2HD1 LEU 51 -4.633 5.601 -7.916 418 3HD1 LEU 51 3HD1 LEU 51 -3.371 6.174 -9.005 419 1HD2 LEU 51 1HD2 LEU 51 -3.790 3.485 -8.906 420 2HD2 LEU 51 2HD2 LEU 51 -2.594 2.627 -7.929 421 3HD2 LEU 51 3HD2 LEU 51 -2.073 3.629 -9.283 422 H ASN 52 H ASN 52 1.651 5.540 -7.817 423 HA ASN 52 HA ASN 52 2.005 8.269 -7.287 424 1HB ASN 52 2HB ASN 52 3.564 7.128 -6.097 425 2HB ASN 52 1HB ASN 52 3.553 5.788 -7.226 426 1HD2 ASN 52 1HD2 ASN 52 5.973 5.835 -6.694 427 2HD2 ASN 52 2HD2 ASN 52 6.966 6.866 -7.605 428 H ASP 53 H ASP 53 3.068 6.199 -9.899 429 HA ASP 53 HA ASP 53 4.309 8.214 -11.401 430 1HB ASP 53 2HB ASP 53 3.205 5.524 -12.220 431 2HB ASP 53 1HB ASP 53 4.265 6.516 -13.217 432 H ALA 54 H ALA 54 1.080 6.860 -11.290 433 HA ALA 54 HA ALA 54 0.084 8.072 -13.699 434 1HB ALA 54 1HB ALA 54 -1.309 6.960 -11.282 435 2HB ALA 54 2HB ALA 54 -0.916 6.077 -12.763 436 3HB ALA 54 3HB ALA 54 -2.108 7.376 -12.797 437 H GLN 55 H GLN 55 -0.198 8.929 -10.265 438 HA GLN 55 HA GLN 55 -1.981 11.133 -10.821 439 1HB GLN 55 2HB GLN 55 -0.581 10.171 -8.328 440 2HB GLN 55 1HB GLN 55 -1.630 11.585 -8.362 441 1HG GLN 55 2HG GLN 55 -3.490 10.179 -9.194 442 2HG GLN 55 1HG GLN 55 -2.440 8.763 -9.122 443 1HE2 GLN 55 1HE2 GLN 55 -1.392 10.553 -6.559 444 2HE2 GLN 55 2HE2 GLN 55 -2.404 9.912 -5.350 445 H ALA 56 H ALA 56 1.305 10.733 -9.621 446 HA ALA 56 HA ALA 56 2.984 12.320 -9.248 447 1HB ALA 56 1HB ALA 56 3.089 11.841 -11.700 448 2HB ALA 56 2HB ALA 56 3.661 13.457 -11.284 449 3HB ALA 56 3HB ALA 56 2.055 13.241 -11.982 450 HA PRO 57 HA PRO 57 -0.598 15.166 -7.842 451 1HB PRO 57 2HB PRO 57 1.035 15.623 -5.499 452 2HB PRO 57 1HB PRO 57 -0.519 14.781 -5.625 453 1HG PRO 57 2HG PRO 57 2.203 13.696 -5.574 454 2HG PRO 57 1HG PRO 57 0.665 12.925 -5.153 455 1HD PRO 57 2HD PRO 57 2.007 12.265 -7.397 456 2HD PRO 57 1HD PRO 57 0.235 12.276 -7.355 457 H LYS 58 H LYS 58 -0.201 16.744 -9.357 458 HA LYS 58 HA LYS 58 2.151 18.348 -9.492 459 1HB LYS 58 2HB LYS 58 -0.632 18.905 -10.561 460 2HB LYS 58 1HB LYS 58 0.856 19.711 -11.065 461 1HG LYS 58 2HG LYS 58 1.773 17.511 -11.790 462 2HG LYS 58 1HG LYS 58 0.242 16.752 -11.354 463 1HD LYS 58 2HD LYS 58 -0.907 18.324 -12.962 464 2HD LYS 58 1HD LYS 58 0.692 18.854 -13.491 465 1HE LYS 58 2HE LYS 58 0.134 17.147 -15.029 466 2HE LYS 58 1HE LYS 58 1.182 16.337 -13.864 467 1HZ LYS 58 1HZ LYS 58 -1.779 16.358 -13.689 468 2HZ LYS 58 2HZ LYS 58 -0.701 15.446 -12.745 469 3HZ LYS 58 3HZ LYS 58 -0.884 15.105 -14.400 Start of MODEL 3 1 1H VAL 1 1HT VAL 1 -3.029 -11.782 15.810 2 2H VAL 1 2HT VAL 1 -2.834 -10.532 14.675 3 3H VAL 1 3HT VAL 1 -2.710 -10.202 16.338 4 HA VAL 1 HA VAL 1 -0.562 -10.365 15.026 5 HB VAL 1 HB VAL 1 -0.713 -10.366 17.504 6 1HG1 VAL 1 1HG1 VAL 1 -2.217 -12.427 17.591 7 2HG1 VAL 1 2HG1 VAL 1 -0.916 -12.383 18.779 8 3HG1 VAL 1 3HG1 VAL 1 -0.762 -13.393 17.343 9 1HG2 VAL 1 1HG2 VAL 1 1.474 -10.738 16.294 10 2HG2 VAL 1 2HG2 VAL 1 1.251 -12.470 16.538 11 3HG2 VAL 1 3HG2 VAL 1 1.432 -11.400 17.928 12 H ASP 2 H ASP 2 -2.430 -13.315 15.591 13 HA ASP 2 HA ASP 2 -0.651 -15.224 14.577 14 1HB ASP 2 2HB ASP 2 -2.774 -15.729 15.780 15 2HB ASP 2 1HB ASP 2 -3.673 -15.229 14.349 16 H ASN 3 H ASN 3 -2.898 -13.063 12.936 17 HA ASN 3 HA ASN 3 -2.696 -14.229 10.346 18 1HB ASN 3 2HB ASN 3 -3.346 -11.354 11.044 19 2HB ASN 3 1HB ASN 3 -3.762 -12.203 9.558 20 1HD2 ASN 3 1HD2 ASN 3 -4.808 -14.608 10.433 21 2HD2 ASN 3 2HD2 ASN 3 -6.155 -14.342 11.430 22 H LYS 4 H LYS 4 -1.350 -13.788 8.654 23 HA LYS 4 HA LYS 4 1.198 -12.566 9.277 24 1HB LYS 4 2HB LYS 4 0.208 -13.786 6.694 25 2HB LYS 4 1HB LYS 4 1.874 -13.333 7.047 26 1HG LYS 4 2HG LYS 4 1.861 -14.925 8.978 27 2HG LYS 4 1HG LYS 4 0.245 -15.445 8.498 28 1HD LYS 4 2HD LYS 4 1.171 -16.068 6.248 29 2HD LYS 4 1HD LYS 4 2.784 -15.682 6.850 30 1HE LYS 4 2HE LYS 4 0.923 -17.754 8.061 31 2HE LYS 4 1HE LYS 4 2.298 -18.111 7.018 32 1HZ LYS 4 1HZ LYS 4 3.635 -16.784 8.715 33 2HZ LYS 4 2HZ LYS 4 3.128 -18.342 9.161 34 3HZ LYS 4 3HZ LYS 4 2.302 -16.978 9.745 35 H PHE 5 H PHE 5 -1.608 -11.250 8.604 36 HA PHE 5 HA PHE 5 -1.425 -9.588 6.403 37 1HB PHE 5 2HB PHE 5 -2.663 -9.268 9.123 38 2HB PHE 5 1HB PHE 5 -2.696 -7.959 7.955 39 HD1 PHE 5 1HD PHE 5 -4.918 -7.803 7.299 40 HD2 PHE 5 2HD PHE 5 -2.996 -11.661 7.373 41 HE1 PHE 5 1HE PHE 5 -6.906 -8.804 6.226 42 HE2 PHE 5 2HE PHE 5 -5.002 -12.655 6.282 43 HZ PHE 5 HZ PHE 5 -6.948 -11.213 5.710 44 H ASN 6 H ASN 6 -0.567 -8.742 9.763 45 HA ASN 6 HA ASN 6 0.329 -6.177 9.298 46 1HB ASN 6 2HB ASN 6 1.433 -8.129 11.309 47 2HB ASN 6 1HB ASN 6 1.573 -6.376 11.376 48 1HD2 ASN 6 1HD2 ASN 6 -0.023 -8.625 12.986 49 2HD2 ASN 6 2HD2 ASN 6 -1.547 -7.902 13.174 50 H LYS 7 H LYS 7 2.311 -9.154 9.304 51 HA LYS 7 HA LYS 7 4.752 -7.886 8.798 52 1HB LYS 7 2HB LYS 7 4.532 -10.206 9.570 53 2HB LYS 7 1HB LYS 7 3.891 -10.666 7.996 54 1HG LYS 7 2HG LYS 7 6.207 -11.219 7.906 55 2HG LYS 7 1HG LYS 7 6.069 -9.715 7.005 56 1HD LYS 7 2HD LYS 7 6.534 -9.356 9.908 57 2HD LYS 7 1HD LYS 7 7.855 -10.150 9.054 58 1HE LYS 7 2HE LYS 7 6.590 -7.565 8.105 59 2HE LYS 7 1HE LYS 7 8.013 -7.622 9.141 60 1HZ LYS 7 1HZ LYS 7 8.343 -7.496 6.618 61 2HZ LYS 7 2HZ LYS 7 7.925 -9.142 6.614 62 3HZ LYS 7 3HZ LYS 7 9.277 -8.610 7.492 63 H GLU 8 H GLU 8 2.277 -9.150 6.605 64 HA GLU 8 HA GLU 8 3.751 -8.599 4.197 65 1HB GLU 8 2HB GLU 8 1.920 -10.283 4.419 66 2HB GLU 8 1HB GLU 8 0.769 -8.971 4.650 67 1HG GLU 8 2HG GLU 8 0.808 -8.359 2.459 68 2HG GLU 8 1HG GLU 8 2.509 -8.762 2.250 69 H ARG 9 H ARG 9 1.456 -6.906 6.203 70 HA ARG 9 HA ARG 9 1.015 -4.711 4.479 71 1HB ARG 9 2HB ARG 9 0.382 -5.234 7.372 72 2HB ARG 9 1HB ARG 9 0.039 -3.683 6.606 73 1HG ARG 9 2HG ARG 9 -1.273 -4.838 4.868 74 2HG ARG 9 1HG ARG 9 -0.979 -6.380 5.641 75 1HD ARG 9 2HD ARG 9 -2.490 -4.027 6.802 76 2HD ARG 9 1HD ARG 9 -3.173 -5.567 6.283 77 HE ARG 9 HE ARG 9 -1.327 -6.283 8.170 78 1HH1 ARG 9 1HH2 ARG 9 -1.752 -3.641 9.477 79 2HH1 ARG 9 2HH2 ARG 9 -3.084 -3.950 10.539 80 1HH2 ARG 9 1HH1 ARG 9 -4.019 -6.875 8.939 81 2HH2 ARG 9 2HH1 ARG 9 -4.367 -5.781 10.234 82 H VAL 10 H VAL 10 3.355 -5.363 7.044 83 HA VAL 10 HA VAL 10 4.189 -2.699 7.498 84 HB VAL 10 HB VAL 10 6.039 -5.095 7.556 85 1HG1 VAL 10 1HG1 VAL 10 7.462 -3.767 8.878 86 2HG1 VAL 10 2HG1 VAL 10 6.173 -2.650 9.320 87 3HG1 VAL 10 3HG1 VAL 10 6.851 -2.608 7.689 88 1HG2 VAL 10 1HG2 VAL 10 5.338 -4.601 10.185 89 2HG2 VAL 10 2HG2 VAL 10 4.753 -5.934 9.191 90 3HG2 VAL 10 3HG2 VAL 10 3.801 -4.451 9.333 91 H ILE 11 H ILE 11 5.331 -5.271 5.491 92 HA ILE 11 HA ILE 11 7.423 -3.984 4.195 93 HB ILE 11 HB ILE 11 5.560 -6.180 3.269 94 1HG1 ILE 11 2HG1 ILE 11 8.307 -6.440 4.530 95 2HG1 ILE 11 1HG1 ILE 11 6.815 -6.510 5.476 96 1HG2 ILE 11 1HG2 ILE 11 8.373 -5.598 2.326 97 2HG2 ILE 11 2HG2 ILE 11 6.927 -5.058 1.465 98 3HG2 ILE 11 3HG2 ILE 11 7.238 -6.790 1.684 99 1HD1 ILE 11 1HD1 ILE 11 7.150 -8.258 3.038 100 2HD1 ILE 11 2HD1 ILE 11 6.108 -8.503 4.445 101 3HD1 ILE 11 3HD1 ILE 11 7.851 -8.745 4.584 102 H ALA 12 H ALA 12 4.068 -4.494 3.307 103 HA ALA 12 HA ALA 12 4.122 -3.073 0.856 104 1HB ALA 12 1HB ALA 12 1.580 -3.157 1.344 105 2HB ALA 12 2HB ALA 12 2.069 -4.179 2.712 106 3HB ALA 12 3HB ALA 12 2.476 -4.649 1.051 107 H ILE 13 H ILE 13 2.791 -2.153 4.078 108 HA ILE 13 HA ILE 13 1.863 0.365 3.279 109 HB ILE 13 HB ILE 13 1.335 -0.807 5.466 110 1HG1 ILE 13 2HG1 ILE 13 1.959 2.037 5.025 111 2HG1 ILE 13 1HG1 ILE 13 0.487 1.299 5.632 112 1HG2 ILE 13 1HG2 ILE 13 2.864 -0.774 7.274 113 2HG2 ILE 13 2HG2 ILE 13 3.911 0.410 6.490 114 3HG2 ILE 13 3HG2 ILE 13 3.851 -1.236 5.900 115 1HD1 ILE 13 1HD1 ILE 13 1.712 0.927 7.816 116 2HD1 ILE 13 2HD1 ILE 13 1.403 2.618 7.417 117 3HD1 ILE 13 3HD1 ILE 13 3.011 1.930 7.167 118 H GLY 14 H GLY 14 4.954 -0.809 4.357 119 1HA GLY 14 2HA GLY 14 6.269 1.644 4.643 120 2HA GLY 14 1HA GLY 14 7.046 0.073 4.368 121 H GLU 15 H GLU 15 5.664 -0.583 1.922 122 HA GLU 15 HA GLU 15 7.290 0.802 0.025 123 1HB GLU 15 2HB GLU 15 4.938 -1.074 -0.331 124 2HB GLU 15 1HB GLU 15 5.990 -0.518 -1.626 125 1HG GLU 15 2HG GLU 15 7.574 -1.575 0.562 126 2HG GLU 15 1HG GLU 15 6.378 -2.763 0.036 127 H ILE 16 H ILE 16 3.850 0.752 0.778 128 HA ILE 16 HA ILE 16 2.973 2.478 -1.250 129 HB ILE 16 HB ILE 16 1.642 2.035 1.418 130 1HG1 ILE 16 2HG1 ILE 16 2.477 0.037 -0.421 131 2HG1 ILE 16 1HG1 ILE 16 1.495 -0.155 1.014 132 1HG2 ILE 16 1HG2 ILE 16 0.786 3.699 -0.420 133 2HG2 ILE 16 2HG2 ILE 16 -0.324 2.643 0.443 134 3HG2 ILE 16 3HG2 ILE 16 0.185 2.234 -1.202 135 1HD1 ILE 16 1HD1 ILE 16 -0.457 -0.282 -0.186 136 2HD1 ILE 16 2HD1 ILE 16 0.686 -1.006 -1.310 137 3HD1 ILE 16 3HD1 ILE 16 0.160 0.669 -1.546 138 H MET 17 H MET 17 3.765 2.986 2.144 139 HA MET 17 HA MET 17 3.077 5.735 2.278 140 1HB MET 17 2HB MET 17 4.827 3.963 4.007 141 2HB MET 17 1HB MET 17 4.456 5.648 4.404 142 1HG MET 17 2HG MET 17 2.326 3.561 3.867 143 2HG MET 17 1HG MET 17 2.920 3.932 5.482 144 1HE MET 17 1HE MET 17 -0.783 5.363 4.727 145 2HE MET 17 2HE MET 17 0.121 3.965 5.308 146 3HE MET 17 3HE MET 17 -0.032 4.242 3.577 147 H ARG 18 H ARG 18 5.894 4.067 1.106 148 HA ARG 18 HA ARG 18 7.833 6.125 1.379 149 1HB ARG 18 2HB ARG 18 8.390 3.763 0.916 150 2HB ARG 18 1HB ARG 18 7.619 3.892 -0.662 151 1HG ARG 18 2HG ARG 18 9.247 5.708 -1.251 152 2HG ARG 18 1HG ARG 18 10.066 5.417 0.286 153 1HD ARG 18 2HD ARG 18 10.382 3.033 -0.396 154 2HD ARG 18 1HD ARG 18 9.673 3.423 -1.961 155 HE ARG 18 HE ARG 18 11.592 5.073 -2.171 156 1HH1 ARG 18 1HH1 ARG 18 12.593 2.405 -2.851 157 2HH1 ARG 18 2HH1 ARG 18 13.943 2.190 -1.787 158 1HH2 ARG 18 1HH2 ARG 18 12.985 4.729 0.365 159 2HH2 ARG 18 2HH2 ARG 18 14.165 3.506 0.033 160 H LEU 19 H LEU 19 5.396 5.354 -0.964 161 HA LEU 19 HA LEU 19 6.087 6.767 -3.185 162 1HB LEU 19 2HB LEU 19 3.310 6.515 -2.046 163 2HB LEU 19 1HB LEU 19 3.748 6.720 -3.744 164 HG LEU 19 HG LEU 19 4.584 4.374 -2.008 165 1HD1 LEU 19 1HD1 LEU 19 3.071 3.026 -3.255 166 2HD1 LEU 19 2HD1 LEU 19 2.628 4.383 -4.297 167 3HD1 LEU 19 3HD1 LEU 19 2.165 4.385 -2.595 168 1HD2 LEU 19 1HD2 LEU 19 5.362 5.350 -4.685 169 2HD2 LEU 19 2HD2 LEU 19 5.021 3.619 -4.570 170 3HD2 LEU 19 3HD2 LEU 19 6.250 4.345 -3.529 171 HA PRO 20 HA PRO 20 6.086 10.926 -1.414 172 1HB PRO 20 2HB PRO 20 7.373 11.884 -3.798 173 2HB PRO 20 1HB PRO 20 8.089 11.600 -2.207 174 1HG PRO 20 2HG PRO 20 8.593 10.158 -4.528 175 2HG PRO 20 1HG PRO 20 9.026 9.680 -2.877 176 1HD PRO 20 2HD PRO 20 6.824 8.702 -4.604 177 2HD PRO 20 1HD PRO 20 7.660 7.896 -3.261 178 H ASN 21 H ASN 21 4.549 9.824 -4.335 179 HA ASN 21 HA ASN 21 3.576 12.532 -4.967 180 1HB ASN 21 2HB ASN 21 2.964 9.937 -6.418 181 2HB ASN 21 1HB ASN 21 2.634 11.566 -6.976 182 1HD2 ASN 21 1HD2 ASN 21 4.616 9.337 -7.914 183 2HD2 ASN 21 2HD2 ASN 21 6.082 10.175 -8.082 184 H LEU 22 H LEU 22 1.959 9.394 -4.648 185 HA LEU 22 HA LEU 22 -0.633 9.951 -4.480 186 1HB LEU 22 2HB LEU 22 0.882 8.246 -2.507 187 2HB LEU 22 1HB LEU 22 -0.870 8.189 -2.745 188 HG LEU 22 HG LEU 22 0.980 7.879 -5.093 189 1HD1 LEU 22 1HD1 LEU 22 0.141 5.747 -3.120 190 2HD1 LEU 22 2HD1 LEU 22 1.779 6.287 -3.476 191 3HD1 LEU 22 3HD1 LEU 22 0.853 5.428 -4.702 192 1HD2 LEU 22 1HD2 LEU 22 -1.857 7.732 -4.530 193 2HD2 LEU 22 2HD2 LEU 22 -1.264 6.190 -5.167 194 3HD2 LEU 22 3HD2 LEU 22 -1.014 7.681 -6.083 195 H ASN 23 H ASN 23 -2.178 10.664 -3.097 196 HA ASN 23 HA ASN 23 -1.300 12.529 -1.017 197 1HB ASN 23 2HB ASN 23 -3.848 12.836 -0.790 198 2HB ASN 23 1HB ASN 23 -3.118 13.377 -2.297 199 1HD2 ASN 23 1HD2 ASN 23 -3.927 12.460 -4.217 200 2HD2 ASN 23 2HD2 ASN 23 -4.991 11.140 -4.265 201 H SER 24 H SER 24 -2.181 12.289 1.179 202 HA SER 24 HA SER 24 -1.556 9.851 2.285 203 1HB SER 24 2HB SER 24 -2.845 10.536 4.263 204 2HB SER 24 1HB SER 24 -1.756 11.791 3.667 205 HG SER 24 HG SER 24 -4.554 11.565 3.214 206 H LEU 25 H LEU 25 -4.678 10.905 1.036 207 HA LEU 25 HA LEU 25 -6.226 8.797 2.094 208 1HB LEU 25 2HB LEU 25 -6.646 10.194 -0.545 209 2HB LEU 25 1HB LEU 25 -7.847 9.359 0.424 210 HG LEU 25 HG LEU 25 -7.216 11.078 2.282 211 1HD1 LEU 25 1HD1 LEU 25 -5.776 12.123 -0.092 212 2HD1 LEU 25 2HD1 LEU 25 -5.505 12.449 1.618 213 3HD1 LEU 25 3HD1 LEU 25 -6.776 13.305 0.750 214 1HD2 LEU 25 1HD2 LEU 25 -8.734 12.780 0.970 215 2HD2 LEU 25 2HD2 LEU 25 -9.381 11.198 1.414 216 3HD2 LEU 25 3HD2 LEU 25 -8.797 11.486 -0.229 217 H GLN 26 H GLN 26 -4.590 9.142 -1.063 218 HA GLN 26 HA GLN 26 -5.332 6.600 -1.994 219 1HB GLN 26 2HB GLN 26 -3.084 8.428 -2.657 220 2HB GLN 26 1HB GLN 26 -3.270 6.876 -3.433 221 1HG GLN 26 2HG GLN 26 -5.567 8.814 -3.292 222 2HG GLN 26 1HG GLN 26 -4.346 8.971 -4.557 223 1HE2 GLN 26 1HE2 GLN 26 -5.969 8.401 -6.205 224 2HE2 GLN 26 2HE2 GLN 26 -6.483 6.795 -6.392 225 H VAL 27 H VAL 27 -2.553 7.879 -0.351 226 HA VAL 27 HA VAL 27 -0.936 5.622 -0.216 227 HB VAL 27 HB VAL 27 -1.359 8.064 1.499 228 1HG1 VAL 27 1HG1 VAL 27 -0.471 6.894 3.208 229 2HG1 VAL 27 2HG1 VAL 27 1.034 7.275 2.370 230 3HG1 VAL 27 3HG1 VAL 27 0.281 5.694 2.147 231 1HG2 VAL 27 1HG2 VAL 27 1.077 8.406 0.657 232 2HG2 VAL 27 2HG2 VAL 27 -0.243 8.640 -0.489 233 3HG2 VAL 27 3HG2 VAL 27 0.687 7.142 -0.508 234 H VAL 28 H VAL 28 -3.504 6.837 1.815 235 HA VAL 28 HA VAL 28 -3.425 4.656 3.665 236 HB VAL 28 HB VAL 28 -5.499 6.797 3.336 237 1HG1 VAL 28 1HG1 VAL 28 -4.908 4.777 5.540 238 2HG1 VAL 28 2HG1 VAL 28 -6.334 4.743 4.489 239 3HG1 VAL 28 3HG1 VAL 28 -6.117 6.061 5.645 240 1HG2 VAL 28 1HG2 VAL 28 -3.631 6.686 5.630 241 2HG2 VAL 28 2HG2 VAL 28 -4.126 8.074 4.656 242 3HG2 VAL 28 3HG2 VAL 28 -2.852 6.990 4.075 243 H ALA 29 H ALA 29 -5.196 5.448 0.834 244 HA ALA 29 HA ALA 29 -7.330 3.672 0.872 245 1HB ALA 29 1HB ALA 29 -7.359 3.965 -1.472 246 2HB ALA 29 2HB ALA 29 -5.606 4.196 -1.559 247 3HB ALA 29 3HB ALA 29 -6.641 5.459 -0.872 248 H PHE 30 H PHE 30 -3.987 3.370 0.030 249 HA PHE 30 HA PHE 30 -4.096 0.721 -0.864 250 1HB PHE 30 2HB PHE 30 -2.064 2.757 -0.166 251 2HB PHE 30 1HB PHE 30 -1.570 1.089 -0.355 252 HD1 PHE 30 1HD PHE 30 -2.694 -0.152 -2.417 253 HD2 PHE 30 2HD PHE 30 -2.086 4.063 -2.056 254 HE1 PHE 30 1HE PHE 30 -2.875 0.094 -4.838 255 HE2 PHE 30 2HE PHE 30 -2.349 4.329 -4.459 256 HZ PHE 30 HZ PHE 30 -2.731 2.328 -5.900 257 H ILE 31 H ILE 31 -3.342 2.364 2.230 258 HA ILE 31 HA ILE 31 -2.427 0.060 3.595 259 HB ILE 31 HB ILE 31 -4.243 2.188 4.790 260 1HG1 ILE 31 2HG1 ILE 31 -1.219 2.103 4.842 261 2HG1 ILE 31 1HG1 ILE 31 -2.150 3.137 3.764 262 1HG2 ILE 31 1HG2 ILE 31 -2.354 0.142 5.988 263 2HG2 ILE 31 2HG2 ILE 31 -4.095 0.274 6.242 264 3HG2 ILE 31 3HG2 ILE 31 -3.012 1.498 6.902 265 1HD1 ILE 31 1HD1 ILE 31 -3.215 3.401 6.421 266 2HD1 ILE 31 2HD1 ILE 31 -2.456 4.636 5.429 267 3HD1 ILE 31 3HD1 ILE 31 -1.470 3.636 6.490 268 H ASN 32 H ASN 32 -5.577 1.382 2.855 269 HA ASN 32 HA ASN 32 -7.168 -0.483 4.288 270 1HB ASN 32 2HB ASN 32 -7.581 1.567 2.161 271 2HB ASN 32 1HB ASN 32 -8.876 0.409 2.457 272 1HD2 ASN 32 1HD2 ASN 32 -7.496 3.346 3.533 273 2HD2 ASN 32 2HD2 ASN 32 -8.324 3.466 5.010 274 H SER 33 H SER 33 -5.932 -0.483 0.960 275 HA SER 33 HA SER 33 -7.493 -2.693 0.124 276 1HB SER 33 2HB SER 33 -4.819 -1.843 -0.972 277 2HB SER 33 1HB SER 33 -6.104 -2.721 -1.797 278 HG SER 33 HG SER 33 -6.295 -0.085 -0.760 279 H LEU 34 H LEU 34 -4.346 -2.350 1.669 280 HA LEU 34 HA LEU 34 -3.346 -4.967 1.328 281 1HB LEU 34 2HB LEU 34 -2.945 -3.638 3.995 282 2HB LEU 34 1HB LEU 34 -1.833 -4.619 3.052 283 HG LEU 34 HG LEU 34 -2.627 -1.765 2.558 284 1HD1 LEU 34 1HD1 LEU 34 -0.904 -1.764 4.132 285 2HD1 LEU 34 2HD1 LEU 34 -0.039 -1.608 2.601 286 3HD1 LEU 34 3HD1 LEU 34 -0.123 -3.171 3.410 287 1HD2 LEU 34 1HD2 LEU 34 -1.299 -3.772 0.790 288 2HD2 LEU 34 2HD2 LEU 34 -0.790 -2.091 0.707 289 3HD2 LEU 34 3HD2 LEU 34 -2.467 -2.528 0.361 290 H ARG 35 H ARG 35 -5.413 -3.695 3.932 291 HA ARG 35 HA ARG 35 -5.610 -6.233 5.254 292 1HB ARG 35 2HB ARG 35 -7.368 -5.169 6.613 293 2HB ARG 35 1HB ARG 35 -5.915 -4.187 6.498 294 1HG ARG 35 2HG ARG 35 -6.953 -2.825 4.737 295 2HG ARG 35 1HG ARG 35 -8.424 -3.791 4.851 296 1HD ARG 35 2HD ARG 35 -8.578 -3.121 7.273 297 2HD ARG 35 1HD ARG 35 -7.211 -2.041 7.010 298 HE ARG 35 HE ARG 35 -8.792 -0.548 6.235 299 1HH1 ARG 35 1HH2 ARG 35 -10.864 -2.949 6.734 300 2HH1 ARG 35 2HH2 ARG 35 -11.762 -2.827 5.259 301 1HH2 ARG 35 1HH1 ARG 35 -9.465 -0.747 3.727 302 2HH2 ARG 35 2HH1 ARG 35 -10.969 -1.582 3.557 303 H ASP 36 H ASP 36 -7.443 -4.537 2.830 304 HA ASP 36 HA ASP 36 -9.703 -6.273 2.786 305 1HB ASP 36 2HB ASP 36 -8.510 -4.398 0.716 306 2HB ASP 36 1HB ASP 36 -10.027 -5.264 0.486 307 H ASP 37 H ASP 37 -6.450 -6.430 1.760 308 HA ASP 37 HA ASP 37 -6.624 -9.161 0.954 309 1HB ASP 37 2HB ASP 37 -7.596 -7.831 -1.042 310 2HB ASP 37 1HB ASP 37 -5.937 -7.331 -1.328 311 HA PRO 38 HA PRO 38 -2.433 -7.805 2.228 312 1HB PRO 38 2HB PRO 38 -2.020 -10.431 3.344 313 2HB PRO 38 1HB PRO 38 -2.218 -8.892 4.191 314 1HG PRO 38 2HG PRO 38 -4.022 -10.988 4.179 315 2HG PRO 38 1HG PRO 38 -4.352 -9.323 4.665 316 1HD PRO 38 2HD PRO 38 -5.108 -10.723 2.164 317 2HD PRO 38 1HD PRO 38 -5.887 -9.345 2.974 318 H SER 39 H SER 39 -3.383 -10.871 0.711 319 HA SER 39 HA SER 39 -0.815 -11.634 -0.208 320 1HB SER 39 2HB SER 39 -1.941 -13.196 -1.626 321 2HB SER 39 1HB SER 39 -2.891 -13.102 -0.148 322 HG SER 39 HG SER 39 -4.037 -11.342 -1.432 323 H GLN 40 H GLN 40 -3.162 -9.332 -1.232 324 HA GLN 40 HA GLN 40 -1.728 -8.819 -3.730 325 1HB GLN 40 2HB GLN 40 -4.401 -7.822 -2.736 326 2HB GLN 40 1HB GLN 40 -3.670 -7.351 -4.268 327 1HG GLN 40 2HG GLN 40 -4.270 -10.215 -3.478 328 2HG GLN 40 1HG GLN 40 -5.318 -9.230 -4.494 329 1HE2 GLN 40 1HE2 GLN 40 -2.850 -11.504 -4.641 330 2HE2 GLN 40 2HE2 GLN 40 -2.267 -11.156 -6.197 331 H SER 41 H SER 41 -1.149 -8.012 -0.716 332 HA SER 41 HA SER 41 -1.227 -5.211 -0.533 333 1HB SER 41 2HB SER 41 0.465 -5.412 1.190 334 2HB SER 41 1HB SER 41 -0.562 -6.825 1.342 335 HG SER 41 HG SER 41 0.986 -8.063 0.457 336 H ALA 42 H ALA 42 0.993 -7.439 -2.018 337 HA ALA 42 HA ALA 42 2.976 -5.656 -2.852 338 1HB ALA 42 1HB ALA 42 3.673 -7.466 -4.328 339 2HB ALA 42 2HB ALA 42 2.131 -8.279 -4.056 340 3HB ALA 42 3HB ALA 42 3.277 -8.095 -2.728 341 H ASN 43 H ASN 43 -0.015 -6.796 -4.329 342 HA ASN 43 HA ASN 43 0.385 -5.660 -6.916 343 1HB ASN 43 2HB ASN 43 -1.199 -7.511 -6.213 344 2HB ASN 43 1HB ASN 43 -2.201 -6.244 -5.510 345 1HD2 ASN 43 1HD2 ASN 43 -3.893 -6.829 -7.081 346 2HD2 ASN 43 2HD2 ASN 43 -3.787 -6.301 -8.692 347 H LEU 44 H LEU 44 -1.041 -4.749 -3.926 348 HA LEU 44 HA LEU 44 -2.342 -2.374 -4.798 349 1HB LEU 44 2HB LEU 44 -1.561 -3.487 -2.124 350 2HB LEU 44 1HB LEU 44 -2.528 -2.031 -2.310 351 HG LEU 44 HG LEU 44 -3.232 -4.581 -3.715 352 1HD1 LEU 44 1HD1 LEU 44 -3.768 -3.811 -0.893 353 2HD1 LEU 44 2HD1 LEU 44 -3.530 -5.406 -1.601 354 3HD1 LEU 44 3HD1 LEU 44 -5.070 -4.578 -1.802 355 1HD2 LEU 44 1HD2 LEU 44 -4.589 -1.988 -3.093 356 2HD2 LEU 44 2HD2 LEU 44 -5.471 -3.406 -3.676 357 3HD2 LEU 44 3HD2 LEU 44 -4.204 -2.681 -4.679 358 H LEU 45 H LEU 45 0.610 -3.097 -3.133 359 HA LEU 45 HA LEU 45 1.495 -0.380 -3.010 360 1HB LEU 45 2HB LEU 45 3.132 -1.260 -1.747 361 2HB LEU 45 1HB LEU 45 2.174 -2.717 -1.802 362 HG LEU 45 HG LEU 45 3.463 -3.261 -3.945 363 1HD1 LEU 45 1HD1 LEU 45 4.941 -1.712 -4.622 364 2HD1 LEU 45 2HD1 LEU 45 5.789 -1.833 -3.085 365 3HD1 LEU 45 3HD1 LEU 45 4.446 -0.682 -3.269 366 1HD2 LEU 45 1HD2 LEU 45 4.948 -3.147 -1.311 367 2HD2 LEU 45 2HD2 LEU 45 5.194 -4.322 -2.602 368 3HD2 LEU 45 3HD2 LEU 45 3.688 -4.325 -1.671 369 H ALA 46 H ALA 46 1.625 -3.004 -5.232 370 HA ALA 46 HA ALA 46 3.495 -1.892 -7.113 371 1HB ALA 46 1HB ALA 46 1.228 -3.866 -7.423 372 2HB ALA 46 2HB ALA 46 2.944 -4.246 -7.288 373 3HB ALA 46 3HB ALA 46 2.327 -3.441 -8.729 374 H GLU 47 H GLU 47 0.004 -1.870 -6.646 375 HA GLU 47 HA GLU 47 -0.752 -0.357 -8.920 376 1HB GLU 47 2HB GLU 47 -1.858 -1.205 -6.302 377 2HB GLU 47 1HB GLU 47 -2.626 0.196 -7.044 378 1HG GLU 47 2HG GLU 47 -3.303 -1.040 -8.929 379 2HG GLU 47 1HG GLU 47 -2.150 -2.334 -8.608 380 H ALA 48 H ALA 48 0.040 0.337 -5.605 381 HA ALA 48 HA ALA 48 -0.386 3.094 -5.550 382 1HB ALA 48 1HB ALA 48 0.067 1.446 -3.629 383 2HB ALA 48 2HB ALA 48 0.749 3.063 -3.504 384 3HB ALA 48 3HB ALA 48 1.767 1.708 -3.993 385 H LYS 49 H LYS 49 2.525 1.192 -6.231 386 HA LYS 49 HA LYS 49 4.229 3.407 -6.735 387 1HB LYS 49 2HB LYS 49 4.292 0.524 -7.653 388 2HB LYS 49 1HB LYS 49 5.518 1.693 -8.149 389 1HG LYS 49 2HG LYS 49 6.020 2.174 -5.777 390 2HG LYS 49 1HG LYS 49 4.813 0.993 -5.280 391 1HD LYS 49 2HD LYS 49 6.085 -0.784 -6.456 392 2HD LYS 49 1HD LYS 49 7.303 0.407 -6.915 393 1HE LYS 49 2HE LYS 49 8.093 0.644 -4.737 394 2HE LYS 49 1HE LYS 49 6.565 0.137 -4.019 395 1HZ LYS 49 1HZ LYS 49 8.221 -1.582 -3.773 396 2HZ LYS 49 2HZ LYS 49 8.496 -1.611 -5.450 397 3HZ LYS 49 3HZ LYS 49 7.001 -2.116 -4.822 398 H LYS 50 H LYS 50 1.875 1.617 -8.616 399 HA LYS 50 HA LYS 50 2.498 2.803 -11.141 400 1HB LYS 50 2HB LYS 50 1.077 0.653 -10.540 401 2HB LYS 50 1HB LYS 50 -0.251 1.804 -10.459 402 1HG LYS 50 2HG LYS 50 -0.340 1.210 -12.704 403 2HG LYS 50 1HG LYS 50 0.706 2.625 -12.780 404 1HD LYS 50 2HD LYS 50 1.844 0.989 -14.068 405 2HD LYS 50 1HD LYS 50 2.674 0.972 -12.513 406 1HE LYS 50 2HE LYS 50 1.504 -1.019 -11.819 407 2HE LYS 50 1HE LYS 50 0.405 -0.923 -13.197 408 1HZ LYS 50 1HZ LYS 50 2.207 -2.553 -13.496 409 2HZ LYS 50 2HZ LYS 50 3.343 -1.292 -13.411 410 3HZ LYS 50 3HZ LYS 50 2.216 -1.340 -14.682 411 H LEU 51 H LEU 51 0.227 3.506 -8.502 412 HA LEU 51 HA LEU 51 -1.080 5.701 -9.774 413 1HB LEU 51 2HB LEU 51 -1.000 4.550 -7.044 414 2HB LEU 51 1HB LEU 51 -1.481 6.229 -7.208 415 HG LEU 51 HG LEU 51 -3.127 5.536 -8.938 416 1HD1 LEU 51 1HD1 LEU 51 -2.463 2.752 -7.942 417 2HD1 LEU 51 2HD1 LEU 51 -1.963 3.411 -9.507 418 3HD1 LEU 51 3HD1 LEU 51 -3.678 3.173 -9.152 419 1HD2 LEU 51 1HD2 LEU 51 -3.561 5.885 -6.427 420 2HD2 LEU 51 2HD2 LEU 51 -3.601 4.119 -6.323 421 3HD2 LEU 51 3HD2 LEU 51 -4.770 4.963 -7.331 422 H ASN 52 H ASN 52 1.641 5.350 -7.618 423 HA ASN 52 HA ASN 52 2.030 8.037 -6.956 424 1HB ASN 52 2HB ASN 52 3.171 6.104 -5.889 425 2HB ASN 52 1HB ASN 52 4.085 5.842 -7.370 426 1HD2 ASN 52 1HD2 ASN 52 6.001 7.018 -7.615 427 2HD2 ASN 52 2HD2 ASN 52 6.488 8.275 -6.583 428 H ASP 53 H ASP 53 3.269 6.019 -9.527 429 HA ASP 53 HA ASP 53 4.606 8.073 -10.927 430 1HB ASP 53 2HB ASP 53 3.745 5.309 -11.773 431 2HB ASP 53 1HB ASP 53 4.834 6.346 -12.692 432 H ALA 54 H ALA 54 1.470 6.486 -11.225 433 HA ALA 54 HA ALA 54 0.720 7.636 -13.728 434 1HB ALA 54 1HB ALA 54 -1.524 6.779 -13.139 435 2HB ALA 54 2HB ALA 54 -0.930 6.418 -11.521 436 3HB ALA 54 3HB ALA 54 -0.263 5.568 -12.915 437 H GLN 55 H GLN 55 -0.035 8.519 -10.368 438 HA GLN 55 HA GLN 55 -1.887 10.582 -11.200 439 1HB GLN 55 2HB GLN 55 -0.681 9.874 -8.521 440 2HB GLN 55 1HB GLN 55 -1.929 11.082 -8.771 441 1HG GLN 55 2HG GLN 55 -3.442 9.371 -9.668 442 2HG GLN 55 1HG GLN 55 -2.190 8.146 -9.461 443 1HE2 GLN 55 1HE2 GLN 55 -1.866 10.344 -6.912 444 2HE2 GLN 55 2HE2 GLN 55 -2.779 9.476 -5.757 445 H ALA 56 H ALA 56 1.282 10.333 -9.741 446 HA ALA 56 HA ALA 56 2.843 11.968 -9.173 447 1HB ALA 56 1HB ALA 56 3.748 13.069 -11.148 448 2HB ALA 56 2HB ALA 56 2.268 12.731 -12.047 449 3HB ALA 56 3HB ALA 56 3.315 11.405 -11.540 450 HA PRO 57 HA PRO 57 -0.996 14.893 -8.505 451 1HB PRO 57 2HB PRO 57 0.259 15.263 -5.914 452 2HB PRO 57 1HB PRO 57 -1.301 14.514 -6.300 453 1HG PRO 57 2HG PRO 57 1.364 13.267 -5.968 454 2HG PRO 57 1HG PRO 57 -0.250 12.605 -5.623 455 1HD PRO 57 2HD PRO 57 1.016 11.701 -7.753 456 2HD PRO 57 1HD PRO 57 -0.674 12.196 -7.923 457 H LYS 58 H LYS 58 -0.588 16.703 -9.603 458 HA LYS 58 HA LYS 58 0.147 18.805 -10.121 459 1HB LYS 58 2HB LYS 58 1.768 18.636 -7.561 460 2HB LYS 58 1HB LYS 58 1.447 20.090 -8.496 461 1HG LYS 58 2HG LYS 58 -0.887 20.018 -8.019 462 2HG LYS 58 1HG LYS 58 -0.790 18.371 -7.400 463 1HD LYS 58 2HD LYS 58 0.937 20.379 -6.040 464 2HD LYS 58 1HD LYS 58 -0.800 20.553 -5.791 465 1HE LYS 58 2HE LYS 58 -0.012 19.105 -4.047 466 2HE LYS 58 1HE LYS 58 -0.849 18.072 -5.206 467 1HZ LYS 58 1HZ LYS 58 1.378 17.258 -4.433 468 2HZ LYS 58 2HZ LYS 58 2.076 18.548 -5.291 469 3HZ LYS 58 3HZ LYS 58 1.189 17.357 -6.116 Start of MODEL 4 1 1H VAL 1 1HT VAL 1 0.168 -11.623 16.642 2 2H VAL 1 2HT VAL 1 -1.058 -12.670 16.103 3 3H VAL 1 3HT VAL 1 -0.453 -11.463 15.072 4 HA VAL 1 HA VAL 1 1.567 -12.536 14.759 5 HB VAL 1 HB VAL 1 1.930 -13.040 17.163 6 1HG1 VAL 1 1HG1 VAL 1 0.918 -14.920 18.247 7 2HG1 VAL 1 2HG1 VAL 1 0.211 -15.502 16.741 8 3HG1 VAL 1 3HG1 VAL 1 -0.401 -14.028 17.493 9 1HG2 VAL 1 1HG2 VAL 1 3.213 -15.058 16.843 10 2HG2 VAL 1 2HG2 VAL 1 3.264 -14.164 15.324 11 3HG2 VAL 1 3HG2 VAL 1 2.197 -15.558 15.490 12 H ASP 2 H ASP 2 -1.445 -14.188 15.580 13 HA ASP 2 HA ASP 2 -1.229 -16.434 13.910 14 1HB ASP 2 2HB ASP 2 -3.729 -14.899 14.672 15 2HB ASP 2 1HB ASP 2 -3.667 -16.564 14.095 16 H ASN 3 H ASN 3 -2.328 -13.145 13.261 17 HA ASN 3 HA ASN 3 -2.943 -13.787 10.468 18 1HB ASN 3 2HB ASN 3 -3.143 -11.168 11.983 19 2HB ASN 3 1HB ASN 3 -3.718 -11.454 10.342 20 1HD2 ASN 3 1HD2 ASN 3 -5.092 -10.936 13.146 21 2HD2 ASN 3 2HD2 ASN 3 -6.332 -12.095 13.159 22 H LYS 4 H LYS 4 -1.452 -13.617 8.941 23 HA LYS 4 HA LYS 4 1.106 -12.382 9.505 24 1HB LYS 4 2HB LYS 4 0.209 -13.643 6.913 25 2HB LYS 4 1HB LYS 4 1.863 -13.373 7.454 26 1HG LYS 4 2HG LYS 4 -0.130 -15.232 8.801 27 2HG LYS 4 1HG LYS 4 1.181 -15.743 7.744 28 1HD LYS 4 2HD LYS 4 2.830 -14.761 9.311 29 2HD LYS 4 1HD LYS 4 1.517 -14.262 10.378 30 1HE LYS 4 2HE LYS 4 1.681 -17.144 9.560 31 2HE LYS 4 1HE LYS 4 2.790 -16.549 10.795 32 1HZ LYS 4 1HZ LYS 4 -0.163 -16.239 10.873 33 2HZ LYS 4 2HZ LYS 4 0.932 -15.765 12.082 34 3HZ LYS 4 3HZ LYS 4 0.711 -17.412 11.730 35 H PHE 5 H PHE 5 -1.694 -11.106 8.755 36 HA PHE 5 HA PHE 5 -1.502 -9.564 6.467 37 1HB PHE 5 2HB PHE 5 -2.754 -9.116 9.161 38 2HB PHE 5 1HB PHE 5 -2.781 -7.858 7.935 39 HD1 PHE 5 1HD PHE 5 -4.996 -7.740 7.238 40 HD2 PHE 5 2HD PHE 5 -3.072 -11.586 7.530 41 HE1 PHE 5 1HE PHE 5 -6.966 -8.796 6.186 42 HE2 PHE 5 2HE PHE 5 -5.061 -12.637 6.459 43 HZ PHE 5 HZ PHE 5 -6.999 -11.227 5.788 44 H ASN 6 H ASN 6 -0.683 -8.562 9.775 45 HA ASN 6 HA ASN 6 0.249 -6.031 9.209 46 1HB ASN 6 2HB ASN 6 1.212 -7.900 11.362 47 2HB ASN 6 1HB ASN 6 1.443 -6.155 11.335 48 1HD2 ASN 6 1HD2 ASN 6 -0.314 -8.176 13.042 49 2HD2 ASN 6 2HD2 ASN 6 -1.813 -7.381 13.103 50 H LYS 7 H LYS 7 2.179 -9.033 9.392 51 HA LYS 7 HA LYS 7 4.665 -7.845 8.973 52 1HB LYS 7 2HB LYS 7 4.390 -10.137 9.747 53 2HB LYS 7 1HB LYS 7 3.730 -10.604 8.183 54 1HG LYS 7 2HG LYS 7 6.046 -11.245 8.168 55 2HG LYS 7 1HG LYS 7 5.921 -9.819 7.145 56 1HD LYS 7 2HD LYS 7 6.432 -9.240 10.008 57 2HD LYS 7 1HD LYS 7 7.731 -10.104 9.191 58 1HE LYS 7 2HE LYS 7 7.508 -8.332 7.330 59 2HE LYS 7 1HE LYS 7 6.555 -7.410 8.492 60 1HZ LYS 7 1HZ LYS 7 8.432 -7.601 10.054 61 2HZ LYS 7 2HZ LYS 7 8.831 -6.744 8.642 62 3HZ LYS 7 3HZ LYS 7 9.347 -8.351 8.839 63 H GLU 8 H GLU 8 2.241 -9.019 6.681 64 HA GLU 8 HA GLU 8 3.852 -8.488 4.349 65 1HB GLU 8 2HB GLU 8 2.012 -10.160 4.421 66 2HB GLU 8 1HB GLU 8 0.853 -8.857 4.659 67 1HG GLU 8 2HG GLU 8 1.001 -9.588 2.283 68 2HG GLU 8 1HG GLU 8 1.402 -7.891 2.510 69 H ARG 9 H ARG 9 1.398 -6.838 6.196 70 HA ARG 9 HA ARG 9 1.015 -4.624 4.517 71 1HB ARG 9 2HB ARG 9 0.402 -5.166 7.409 72 2HB ARG 9 1HB ARG 9 0.056 -3.608 6.664 73 1HG ARG 9 2HG ARG 9 -1.420 -4.579 5.082 74 2HG ARG 9 1HG ARG 9 -0.892 -6.213 5.444 75 1HD ARG 9 2HD ARG 9 -3.020 -5.913 6.501 76 2HD ARG 9 1HD ARG 9 -1.809 -5.869 7.781 77 HE ARG 9 HE ARG 9 -2.764 -3.329 6.616 78 1HH1 ARG 9 1HH1 ARG 9 -1.046 -3.779 9.169 79 2HH1 ARG 9 2HH1 ARG 9 -2.215 -3.424 10.397 80 1HH2 ARG 9 1HH2 ARG 9 -4.922 -3.632 8.247 81 2HH2 ARG 9 2HH2 ARG 9 -4.410 -3.340 9.874 82 H VAL 10 H VAL 10 3.340 -5.299 7.081 83 HA VAL 10 HA VAL 10 4.191 -2.642 7.533 84 HB VAL 10 HB VAL 10 6.015 -5.054 7.635 85 1HG1 VAL 10 1HG1 VAL 10 7.447 -3.726 8.934 86 2HG1 VAL 10 2HG1 VAL 10 6.163 -2.609 9.393 87 3HG1 VAL 10 3HG1 VAL 10 6.832 -2.557 7.757 88 1HG2 VAL 10 1HG2 VAL 10 3.763 -4.369 9.382 89 2HG2 VAL 10 2HG2 VAL 10 5.287 -4.529 10.250 90 3HG2 VAL 10 3HG2 VAL 10 4.696 -5.865 9.261 91 H ILE 11 H ILE 11 5.324 -5.236 5.544 92 HA ILE 11 HA ILE 11 7.448 -3.945 4.291 93 HB ILE 11 HB ILE 11 5.624 -6.156 3.324 94 1HG1 ILE 11 2HG1 ILE 11 8.326 -6.418 4.673 95 2HG1 ILE 11 1HG1 ILE 11 6.810 -6.461 5.581 96 1HG2 ILE 11 1HG2 ILE 11 8.462 -5.544 2.482 97 2HG2 ILE 11 2HG2 ILE 11 7.037 -5.059 1.558 98 3HG2 ILE 11 3HG2 ILE 11 7.385 -6.779 1.822 99 1HD1 ILE 11 1HD1 ILE 11 7.212 -8.242 3.175 100 2HD1 ILE 11 2HD1 ILE 11 6.100 -8.452 4.535 101 3HD1 ILE 11 3HD1 ILE 11 7.831 -8.719 4.759 102 H ALA 12 H ALA 12 4.123 -4.514 3.312 103 HA ALA 12 HA ALA 12 4.201 -3.096 0.864 104 1HB ALA 12 1HB ALA 12 1.657 -3.179 1.303 105 2HB ALA 12 2HB ALA 12 2.112 -4.180 2.697 106 3HB ALA 12 3HB ALA 12 2.555 -4.676 1.054 107 H ILE 13 H ILE 13 2.838 -2.157 4.064 108 HA ILE 13 HA ILE 13 1.913 0.354 3.245 109 HB ILE 13 HB ILE 13 1.391 -0.803 5.449 110 1HG1 ILE 13 2HG1 ILE 13 1.994 2.034 4.965 111 2HG1 ILE 13 1HG1 ILE 13 0.525 1.297 5.579 112 1HG2 ILE 13 1HG2 ILE 13 3.912 -1.197 5.889 113 2HG2 ILE 13 2HG2 ILE 13 2.924 -0.724 7.256 114 3HG2 ILE 13 3HG2 ILE 13 3.954 0.461 6.454 115 1HD1 ILE 13 1HD1 ILE 13 1.431 2.653 7.343 116 2HD1 ILE 13 2HD1 ILE 13 3.044 1.967 7.108 117 3HD1 ILE 13 3HD1 ILE 13 1.746 0.969 7.772 118 H GLY 14 H GLY 14 4.999 -0.826 4.309 119 1HA GLY 14 2HA GLY 14 6.327 1.609 4.611 120 2HA GLY 14 1HA GLY 14 7.094 0.038 4.314 121 H GLU 15 H GLU 15 5.721 -0.598 1.862 122 HA GLU 15 HA GLU 15 7.319 0.838 -0.026 123 1HB GLU 15 2HB GLU 15 4.958 -1.019 -0.436 124 2HB GLU 15 1HB GLU 15 6.009 -0.428 -1.715 125 1HG GLU 15 2HG GLU 15 6.506 -2.518 0.335 126 2HG GLU 15 1HG GLU 15 7.002 -2.460 -1.339 127 H ILE 16 H ILE 16 3.904 0.732 0.760 128 HA ILE 16 HA ILE 16 2.950 2.462 -1.216 129 HB ILE 16 HB ILE 16 1.728 1.934 1.488 130 1HG1 ILE 16 2HG1 ILE 16 2.526 0.014 -0.435 131 2HG1 ILE 16 1HG1 ILE 16 1.562 -0.239 1.002 132 1HG2 ILE 16 1HG2 ILE 16 0.195 2.244 -1.078 133 2HG2 ILE 16 2HG2 ILE 16 0.759 3.662 -0.196 134 3HG2 ILE 16 3HG2 ILE 16 -0.302 2.505 0.597 135 1HD1 ILE 16 1HD1 ILE 16 -0.380 -0.404 -0.172 136 2HD1 ILE 16 2HD1 ILE 16 0.754 -0.979 -1.385 137 3HD1 ILE 16 3HD1 ILE 16 0.145 0.685 -1.469 138 H MET 17 H MET 17 3.803 2.979 2.160 139 HA MET 17 HA MET 17 3.071 5.722 2.291 140 1HB MET 17 2HB MET 17 4.827 3.967 4.030 141 2HB MET 17 1HB MET 17 4.433 5.648 4.427 142 1HG MET 17 2HG MET 17 2.328 3.549 3.853 143 2HG MET 17 1HG MET 17 2.909 3.895 5.478 144 1HE MET 17 1HE MET 17 0.110 3.929 5.345 145 2HE MET 17 2HE MET 17 -0.028 4.176 3.609 146 3HE MET 17 3HE MET 17 -0.800 5.311 4.718 147 H ARG 18 H ARG 18 5.902 4.080 1.131 148 HA ARG 18 HA ARG 18 7.825 6.149 1.415 149 1HB ARG 18 2HB ARG 18 8.417 3.804 0.952 150 2HB ARG 18 1HB ARG 18 7.627 3.908 -0.617 151 1HG ARG 18 2HG ARG 18 9.220 5.743 -1.240 152 2HG ARG 18 1HG ARG 18 10.063 5.474 0.289 153 1HD ARG 18 2HD ARG 18 10.418 3.096 -0.379 154 2HD ARG 18 1HD ARG 18 9.666 3.450 -1.933 155 HE ARG 18 HE ARG 18 12.347 4.156 -1.114 156 1HH1 ARG 18 1HH2 ARG 18 11.112 6.772 -1.921 157 2HH1 ARG 18 2HH2 ARG 18 11.429 6.822 -3.623 158 1HH2 ARG 18 1HH1 ARG 18 12.132 3.438 -3.855 159 2HH2 ARG 18 2HH1 ARG 18 12.007 4.934 -4.717 160 H LEU 19 H LEU 19 5.392 5.389 -0.939 161 HA LEU 19 HA LEU 19 6.089 6.788 -3.157 162 1HB LEU 19 2HB LEU 19 3.308 6.593 -2.011 163 2HB LEU 19 1HB LEU 19 3.753 6.778 -3.711 164 HG LEU 19 HG LEU 19 4.549 4.430 -1.963 165 1HD1 LEU 19 1HD1 LEU 19 2.612 4.398 -4.263 166 2HD1 LEU 19 2HD1 LEU 19 2.110 4.530 -2.577 167 3HD1 LEU 19 3HD1 LEU 19 2.987 3.102 -3.124 168 1HD2 LEU 19 1HD2 LEU 19 4.964 3.649 -4.522 169 2HD2 LEU 19 2HD2 LEU 19 6.208 4.361 -3.491 170 3HD2 LEU 19 3HD2 LEU 19 5.333 5.375 -4.649 171 HA PRO 20 HA PRO 20 6.177 10.955 -1.405 172 1HB PRO 20 2HB PRO 20 7.447 11.883 -3.810 173 2HB PRO 20 1HB PRO 20 8.181 11.589 -2.228 174 1HG PRO 20 2HG PRO 20 8.618 10.132 -4.558 175 2HG PRO 20 1HG PRO 20 9.081 9.658 -2.915 176 1HD PRO 20 2HD PRO 20 6.838 8.692 -4.590 177 2HD PRO 20 1HD PRO 20 7.682 7.893 -3.248 178 H ASN 21 H ASN 21 4.628 9.881 -4.340 179 HA ASN 21 HA ASN 21 3.672 12.597 -4.949 180 1HB ASN 21 2HB ASN 21 3.008 10.033 -6.427 181 2HB ASN 21 1HB ASN 21 2.763 11.678 -6.973 182 1HD2 ASN 21 1HD2 ASN 21 4.606 9.441 -8.018 183 2HD2 ASN 21 2HD2 ASN 21 6.131 10.183 -8.113 184 H LEU 22 H LEU 22 2.044 9.464 -4.631 185 HA LEU 22 HA LEU 22 -0.548 10.041 -4.497 186 1HB LEU 22 2HB LEU 22 0.954 8.293 -2.556 187 2HB LEU 22 1HB LEU 22 -0.806 8.279 -2.744 188 HG LEU 22 HG LEU 22 0.936 7.983 -5.165 189 1HD1 LEU 22 1HD1 LEU 22 0.840 5.523 -4.795 190 2HD1 LEU 22 2HD1 LEU 22 0.215 5.825 -3.174 191 3HD1 LEU 22 3HD1 LEU 22 1.830 6.372 -3.615 192 1HD2 LEU 22 1HD2 LEU 22 -1.829 7.982 -4.573 193 2HD2 LEU 22 2HD2 LEU 22 -1.395 6.312 -4.943 194 3HD2 LEU 22 3HD2 LEU 22 -1.055 7.596 -6.112 195 H ASN 23 H ASN 23 -2.117 10.650 -3.091 196 HA ASN 23 HA ASN 23 -1.301 12.539 -1.003 197 1HB ASN 23 2HB ASN 23 -3.854 12.799 -0.815 198 2HB ASN 23 1HB ASN 23 -3.116 13.353 -2.314 199 1HD2 ASN 23 1HD2 ASN 23 -3.736 12.303 -4.264 200 2HD2 ASN 23 2HD2 ASN 23 -4.834 11.009 -4.316 201 H SER 24 H SER 24 -2.175 12.258 1.181 202 HA SER 24 HA SER 24 -1.544 9.812 2.263 203 1HB SER 24 2HB SER 24 -2.831 10.474 4.247 204 2HB SER 24 1HB SER 24 -1.753 11.743 3.661 205 HG SER 24 HG SER 24 -4.551 11.497 3.215 206 H LEU 25 H LEU 25 -4.672 10.858 1.010 207 HA LEU 25 HA LEU 25 -6.206 8.733 2.061 208 1HB LEU 25 2HB LEU 25 -6.640 10.148 -0.566 209 2HB LEU 25 1HB LEU 25 -7.834 9.296 0.398 210 HG LEU 25 HG LEU 25 -7.209 11.002 2.271 211 1HD1 LEU 25 1HD1 LEU 25 -5.785 12.082 -0.099 212 2HD1 LEU 25 2HD1 LEU 25 -5.508 12.389 1.614 213 3HD1 LEU 25 3HD1 LEU 25 -6.789 13.246 0.761 214 1HD2 LEU 25 1HD2 LEU 25 -8.800 11.423 -0.231 215 2HD2 LEU 25 2HD2 LEU 25 -8.742 12.705 0.981 216 3HD2 LEU 25 3HD2 LEU 25 -9.377 11.113 1.408 217 H GLN 26 H GLN 26 -4.575 9.120 -1.081 218 HA GLN 26 HA GLN 26 -5.288 6.583 -2.055 219 1HB GLN 26 2HB GLN 26 -3.093 8.475 -2.688 220 2HB GLN 26 1HB GLN 26 -3.184 6.909 -3.463 221 1HG GLN 26 2HG GLN 26 -5.491 8.860 -3.379 222 2HG GLN 26 1HG GLN 26 -4.330 8.808 -4.716 223 1HE2 GLN 26 1HE2 GLN 26 -4.040 6.428 -5.636 224 2HE2 GLN 26 2HE2 GLN 26 -5.476 5.546 -5.831 225 H VAL 27 H VAL 27 -2.528 7.851 -0.371 226 HA VAL 27 HA VAL 27 -0.909 5.590 -0.254 227 HB VAL 27 HB VAL 27 -1.335 8.015 1.485 228 1HG1 VAL 27 1HG1 VAL 27 0.266 5.625 2.128 229 2HG1 VAL 27 2HG1 VAL 27 -0.432 6.862 3.188 230 3HG1 VAL 27 3HG1 VAL 27 1.074 7.183 2.326 231 1HG2 VAL 27 1HG2 VAL 27 0.699 7.120 -0.545 232 2HG2 VAL 27 2HG2 VAL 27 1.110 8.353 0.645 233 3HG2 VAL 27 3HG2 VAL 27 -0.215 8.626 -0.485 234 H VAL 28 H VAL 28 -3.478 6.793 1.780 235 HA VAL 28 HA VAL 28 -3.408 4.609 3.626 236 HB VAL 28 HB VAL 28 -5.477 6.755 3.286 237 1HG1 VAL 28 1HG1 VAL 28 -4.919 4.724 5.488 238 2HG1 VAL 28 2HG1 VAL 28 -6.341 4.714 4.431 239 3HG1 VAL 28 3HG1 VAL 28 -6.112 6.023 5.595 240 1HG2 VAL 28 1HG2 VAL 28 -3.632 6.634 5.597 241 2HG2 VAL 28 2HG2 VAL 28 -4.110 8.025 4.618 242 3HG2 VAL 28 3HG2 VAL 28 -2.835 6.935 4.050 243 H ALA 29 H ALA 29 -5.154 5.395 0.786 244 HA ALA 29 HA ALA 29 -7.308 3.655 0.815 245 1HB ALA 29 1HB ALA 29 -5.548 4.117 -1.596 246 2HB ALA 29 2HB ALA 29 -6.555 5.416 -0.937 247 3HB ALA 29 3HB ALA 29 -7.304 3.931 -1.529 248 H PHE 30 H PHE 30 -3.954 3.268 0.031 249 HA PHE 30 HA PHE 30 -4.116 0.606 -0.835 250 1HB PHE 30 2HB PHE 30 -2.013 2.539 -0.051 251 2HB PHE 30 1HB PHE 30 -1.613 0.859 -0.310 252 HD1 PHE 30 1HD PHE 30 -1.904 3.931 -1.847 253 HD2 PHE 30 2HD PHE 30 -2.788 -0.203 -2.456 254 HE1 PHE 30 1HE PHE 30 -2.103 4.343 -4.231 255 HE2 PHE 30 2HE PHE 30 -2.900 0.183 -4.871 256 HZ PHE 30 HZ PHE 30 -2.584 2.460 -5.795 257 H ILE 31 H ILE 31 -3.344 2.274 2.239 258 HA ILE 31 HA ILE 31 -2.494 -0.017 3.656 259 HB ILE 31 HB ILE 31 -4.287 2.156 4.796 260 1HG1 ILE 31 2HG1 ILE 31 -1.263 2.031 4.865 261 2HG1 ILE 31 1HG1 ILE 31 -2.174 3.057 3.761 262 1HG2 ILE 31 1HG2 ILE 31 -4.182 0.295 6.302 263 2HG2 ILE 31 2HG2 ILE 31 -3.039 1.486 6.922 264 3HG2 ILE 31 3HG2 ILE 31 -2.451 0.086 6.029 265 1HD1 ILE 31 1HD1 ILE 31 -2.474 4.591 5.395 266 2HD1 ILE 31 2HD1 ILE 31 -1.500 3.602 6.477 267 3HD1 ILE 31 3HD1 ILE 31 -3.246 3.381 6.409 268 H ASN 32 H ASN 32 -5.611 1.329 2.839 269 HA ASN 32 HA ASN 32 -7.239 -0.498 4.289 270 1HB ASN 32 2HB ASN 32 -7.610 1.532 2.133 271 2HB ASN 32 1HB ASN 32 -8.919 0.388 2.427 272 1HD2 ASN 32 1HD2 ASN 32 -7.520 3.323 3.489 273 2HD2 ASN 32 2HD2 ASN 32 -8.367 3.469 4.953 274 H SER 33 H SER 33 -5.961 -0.541 0.984 275 HA SER 33 HA SER 33 -7.521 -2.758 0.154 276 1HB SER 33 2HB SER 33 -4.845 -1.911 -0.937 277 2HB SER 33 1HB SER 33 -6.125 -2.802 -1.758 278 HG SER 33 HG SER 33 -6.315 -0.151 -0.758 279 H LEU 34 H LEU 34 -4.390 -2.396 1.722 280 HA LEU 34 HA LEU 34 -3.367 -5.011 1.403 281 1HB LEU 34 2HB LEU 34 -3.028 -3.634 4.059 282 2HB LEU 34 1HB LEU 34 -1.894 -4.649 3.179 283 HG LEU 34 HG LEU 34 -2.649 -1.799 2.604 284 1HD1 LEU 34 1HD1 LEU 34 -0.152 -3.219 3.468 285 2HD1 LEU 34 2HD1 LEU 34 -0.945 -1.830 4.213 286 3HD1 LEU 34 3HD1 LEU 34 -0.079 -1.642 2.685 287 1HD2 LEU 34 1HD2 LEU 34 -0.779 -2.196 0.785 288 2HD2 LEU 34 2HD2 LEU 34 -2.466 -2.572 0.419 289 3HD2 LEU 34 3HD2 LEU 34 -1.354 -3.858 0.874 290 H ARG 35 H ARG 35 -5.470 -3.726 3.970 291 HA ARG 35 HA ARG 35 -5.677 -6.251 5.313 292 1HB ARG 35 2HB ARG 35 -7.466 -5.178 6.631 293 2HB ARG 35 1HB ARG 35 -6.006 -4.204 6.540 294 1HG ARG 35 2HG ARG 35 -7.000 -2.850 4.747 295 2HG ARG 35 1HG ARG 35 -8.481 -3.803 4.844 296 1HD ARG 35 2HD ARG 35 -8.681 -3.109 7.252 297 2HD ARG 35 1HD ARG 35 -7.289 -2.054 7.018 298 HE ARG 35 HE ARG 35 -8.807 -0.535 6.173 299 1HH1 ARG 35 1HH1 ARG 35 -11.014 -2.740 6.776 300 2HH1 ARG 35 2HH1 ARG 35 -11.882 -2.679 5.279 301 1HH2 ARG 35 1HH2 ARG 35 -9.424 -0.895 3.627 302 2HH2 ARG 35 2HH2 ARG 35 -10.981 -1.636 3.498 303 H ASP 36 H ASP 36 -7.476 -4.588 2.845 304 HA ASP 36 HA ASP 36 -9.727 -6.337 2.785 305 1HB ASP 36 2HB ASP 36 -8.517 -4.473 0.714 306 2HB ASP 36 1HB ASP 36 -10.027 -5.348 0.476 307 H ASP 37 H ASP 37 -6.454 -6.481 1.808 308 HA ASP 37 HA ASP 37 -6.591 -9.219 1.034 309 1HB ASP 37 2HB ASP 37 -7.586 -7.952 -0.983 310 2HB ASP 37 1HB ASP 37 -5.943 -7.404 -1.280 311 HA PRO 38 HA PRO 38 -2.393 -7.824 2.269 312 1HB PRO 38 2HB PRO 38 -1.957 -10.439 3.403 313 2HB PRO 38 1HB PRO 38 -2.164 -8.895 4.243 314 1HG PRO 38 2HG PRO 38 -3.955 -11.006 4.254 315 2HG PRO 38 1HG PRO 38 -4.291 -9.342 4.737 316 1HD PRO 38 2HD PRO 38 -5.060 -10.756 2.248 317 2HD PRO 38 1HD PRO 38 -5.837 -9.377 3.057 318 H SER 39 H SER 39 -3.415 -10.833 0.760 319 HA SER 39 HA SER 39 -0.910 -11.719 -0.205 320 1HB SER 39 2HB SER 39 -3.620 -12.149 -1.493 321 2HB SER 39 1HB SER 39 -2.181 -13.144 -1.690 322 HG SER 39 HG SER 39 -3.716 -12.733 0.664 323 H GLN 40 H GLN 40 -3.234 -9.361 -1.251 324 HA GLN 40 HA GLN 40 -1.762 -8.883 -3.731 325 1HB GLN 40 2HB GLN 40 -4.434 -7.841 -2.785 326 2HB GLN 40 1HB GLN 40 -3.688 -7.432 -4.328 327 1HG GLN 40 2HG GLN 40 -4.334 -10.257 -3.436 328 2HG GLN 40 1HG GLN 40 -5.349 -9.299 -4.510 329 1HE2 GLN 40 1HE2 GLN 40 -2.889 -11.598 -4.506 330 2HE2 GLN 40 2HE2 GLN 40 -2.286 -11.330 -6.070 331 H SER 41 H SER 41 -1.161 -8.033 -0.751 332 HA SER 41 HA SER 41 -1.236 -5.232 -0.579 333 1HB SER 41 2HB SER 41 0.513 -5.430 1.092 334 2HB SER 41 1HB SER 41 -0.511 -6.844 1.281 335 HG SER 41 HG SER 41 1.033 -8.083 0.486 336 H ALA 42 H ALA 42 0.985 -7.465 -2.075 337 HA ALA 42 HA ALA 42 2.933 -5.685 -2.972 338 1HB ALA 42 1HB ALA 42 2.070 -8.318 -4.140 339 2HB ALA 42 2HB ALA 42 3.243 -8.119 -2.838 340 3HB ALA 42 3HB ALA 42 3.603 -7.505 -4.452 341 H ASN 43 H ASN 43 -0.079 -6.829 -4.406 342 HA ASN 43 HA ASN 43 0.294 -5.708 -7.007 343 1HB ASN 43 2HB ASN 43 -1.306 -7.548 -6.211 344 2HB ASN 43 1HB ASN 43 -2.311 -6.231 -5.612 345 1HD2 ASN 43 1HD2 ASN 43 -3.524 -7.734 -7.505 346 2HD2 ASN 43 2HD2 ASN 43 -3.544 -6.957 -9.015 347 H LEU 44 H LEU 44 -1.090 -4.777 -4.007 348 HA LEU 44 HA LEU 44 -2.398 -2.397 -4.859 349 1HB LEU 44 2HB LEU 44 -1.539 -3.497 -2.210 350 2HB LEU 44 1HB LEU 44 -2.513 -2.049 -2.369 351 HG LEU 44 HG LEU 44 -3.267 -4.609 -3.734 352 1HD1 LEU 44 1HD1 LEU 44 -3.709 -3.821 -0.892 353 2HD1 LEU 44 2HD1 LEU 44 -3.456 -5.419 -1.592 354 3HD1 LEU 44 3HD1 LEU 44 -5.020 -4.628 -1.754 355 1HD2 LEU 44 1HD2 LEU 44 -4.267 -2.699 -4.644 356 2HD2 LEU 44 2HD2 LEU 44 -4.599 -2.021 -3.039 357 3HD2 LEU 44 3HD2 LEU 44 -5.498 -3.435 -3.608 358 H LEU 45 H LEU 45 0.558 -3.142 -3.205 359 HA LEU 45 HA LEU 45 1.490 -0.442 -3.105 360 1HB LEU 45 2HB LEU 45 3.064 -1.347 -1.792 361 2HB LEU 45 1HB LEU 45 2.153 -2.827 -1.921 362 HG LEU 45 HG LEU 45 3.518 -3.284 -4.027 363 1HD1 LEU 45 1HD1 LEU 45 4.936 -1.655 -4.651 364 2HD1 LEU 45 2HD1 LEU 45 5.789 -1.811 -3.118 365 3HD1 LEU 45 3HD1 LEU 45 4.420 -0.684 -3.262 366 1HD2 LEU 45 1HD2 LEU 45 4.900 -3.164 -1.330 367 2HD2 LEU 45 2HD2 LEU 45 5.297 -4.267 -2.650 368 3HD2 LEU 45 3HD2 LEU 45 3.749 -4.414 -1.805 369 H ALA 46 H ALA 46 1.576 -3.090 -5.317 370 HA ALA 46 HA ALA 46 3.468 -2.030 -7.191 371 1HB ALA 46 1HB ALA 46 2.817 -4.346 -7.456 372 2HB ALA 46 2HB ALA 46 2.185 -3.466 -8.849 373 3HB ALA 46 3HB ALA 46 1.114 -3.900 -7.526 374 H GLU 47 H GLU 47 -0.049 -1.899 -6.770 375 HA GLU 47 HA GLU 47 -0.645 -0.272 -8.998 376 1HB GLU 47 2HB GLU 47 -1.927 -1.213 -6.515 377 2HB GLU 47 1HB GLU 47 -2.522 0.343 -7.094 378 1HG GLU 47 2HG GLU 47 -2.526 -2.303 -8.559 379 2HG GLU 47 1HG GLU 47 -3.910 -1.332 -8.075 380 H ALA 48 H ALA 48 0.120 0.297 -5.661 381 HA ALA 48 HA ALA 48 -0.268 3.034 -5.485 382 1HB ALA 48 1HB ALA 48 1.972 1.684 -4.064 383 2HB ALA 48 2HB ALA 48 0.308 1.249 -3.690 384 3HB ALA 48 3HB ALA 48 0.850 2.908 -3.473 385 H LYS 49 H LYS 49 2.595 1.173 -6.396 386 HA LYS 49 HA LYS 49 4.268 3.441 -6.835 387 1HB LYS 49 2HB LYS 49 4.385 0.591 -7.851 388 2HB LYS 49 1HB LYS 49 5.607 1.801 -8.253 389 1HG LYS 49 2HG LYS 49 6.016 2.179 -5.837 390 2HG LYS 49 1HG LYS 49 4.829 0.937 -5.449 391 1HD LYS 49 2HD LYS 49 6.190 -0.737 -6.665 392 2HD LYS 49 1HD LYS 49 7.384 0.510 -7.030 393 1HE LYS 49 2HE LYS 49 8.149 0.616 -4.850 394 2HE LYS 49 1HE LYS 49 6.595 0.136 -4.169 395 1HZ LYS 49 1HZ LYS 49 8.553 -1.615 -5.551 396 2HZ LYS 49 2HZ LYS 49 6.995 -2.108 -5.089 397 3HZ LYS 49 3HZ LYS 49 8.131 -1.654 -3.909 398 H LYS 50 H LYS 50 1.959 1.624 -8.761 399 HA LYS 50 HA LYS 50 2.526 2.957 -11.246 400 1HB LYS 50 2HB LYS 50 0.351 1.148 -10.219 401 2HB LYS 50 1HB LYS 50 0.128 2.006 -11.745 402 1HG LYS 50 2HG LYS 50 1.726 0.768 -12.832 403 2HG LYS 50 1HG LYS 50 2.757 0.658 -11.410 404 1HD LYS 50 2HD LYS 50 1.898 -1.561 -11.975 405 2HD LYS 50 1HD LYS 50 1.215 -1.039 -10.445 406 1HE LYS 50 2HE LYS 50 -0.588 -1.971 -11.684 407 2HE LYS 50 1HE LYS 50 -0.807 -0.223 -11.759 408 1HZ LYS 50 1HZ LYS 50 0.371 -0.266 -13.917 409 2HZ LYS 50 2HZ LYS 50 -1.094 -1.128 -13.936 410 3HZ LYS 50 3HZ LYS 50 0.385 -1.961 -13.850 411 H LEU 51 H LEU 51 0.427 3.425 -8.515 412 HA LEU 51 HA LEU 51 -1.262 5.481 -9.524 413 1HB LEU 51 2HB LEU 51 -0.632 4.174 -6.971 414 2HB LEU 51 1HB LEU 51 -1.138 5.824 -6.826 415 HG LEU 51 HG LEU 51 -3.008 4.259 -6.621 416 1HD1 LEU 51 1HD1 LEU 51 -3.307 6.573 -7.463 417 2HD1 LEU 51 2HD1 LEU 51 -4.520 5.443 -8.084 418 3HD1 LEU 51 3HD1 LEU 51 -3.187 5.950 -9.118 419 1HD2 LEU 51 1HD2 LEU 51 -2.595 2.386 -7.932 420 2HD2 LEU 51 2HD2 LEU 51 -1.959 3.338 -9.275 421 3HD2 LEU 51 3HD2 LEU 51 -3.699 3.265 -8.996 422 H ASN 52 H ASN 52 1.620 5.362 -7.557 423 HA ASN 52 HA ASN 52 1.923 8.060 -6.937 424 1HB ASN 52 2HB ASN 52 3.106 6.159 -5.865 425 2HB ASN 52 1HB ASN 52 4.022 5.908 -7.346 426 1HD2 ASN 52 1HD2 ASN 52 5.924 7.114 -7.590 427 2HD2 ASN 52 2HD2 ASN 52 6.387 8.381 -6.560 428 H ASP 53 H ASP 53 3.208 6.074 -9.509 429 HA ASP 53 HA ASP 53 4.543 8.145 -10.871 430 1HB ASP 53 2HB ASP 53 3.666 5.398 -11.750 431 2HB ASP 53 1HB ASP 53 4.741 6.441 -12.678 432 H ALA 54 H ALA 54 1.383 6.620 -11.171 433 HA ALA 54 HA ALA 54 0.661 7.802 -13.674 434 1HB ALA 54 1HB ALA 54 -0.963 6.592 -11.454 435 2HB ALA 54 2HB ALA 54 -0.401 5.785 -12.926 436 3HB ALA 54 3HB ALA 54 -1.626 7.051 -13.022 437 H GLN 55 H GLN 55 -0.074 8.680 -10.299 438 HA GLN 55 HA GLN 55 -1.868 10.792 -11.127 439 1HB GLN 55 2HB GLN 55 -0.680 10.021 -8.461 440 2HB GLN 55 1HB GLN 55 -1.811 11.344 -8.689 441 1HG GLN 55 2HG GLN 55 -3.466 9.744 -9.626 442 2HG GLN 55 1HG GLN 55 -2.342 8.427 -9.283 443 1HE2 GLN 55 1HE2 GLN 55 -1.772 10.623 -6.857 444 2HE2 GLN 55 2HE2 GLN 55 -2.848 10.003 -5.691 445 H ALA 56 H ALA 56 1.305 10.487 -9.687 446 HA ALA 56 HA ALA 56 2.910 12.096 -9.161 447 1HB ALA 56 1HB ALA 56 2.330 12.804 -12.049 448 2HB ALA 56 2HB ALA 56 3.349 11.466 -11.517 449 3HB ALA 56 3HB ALA 56 3.826 13.129 -11.171 450 HA PRO 57 HA PRO 57 -0.825 15.150 -8.508 451 1HB PRO 57 2HB PRO 57 0.486 15.558 -5.949 452 2HB PRO 57 1HB PRO 57 -1.102 14.846 -6.289 453 1HG PRO 57 2HG PRO 57 1.523 13.526 -5.944 454 2HG PRO 57 1HG PRO 57 -0.108 12.925 -5.579 455 1HD PRO 57 2HD PRO 57 1.135 11.933 -7.688 456 2HD PRO 57 1HD PRO 57 -0.550 12.440 -7.852 457 H LYS 58 H LYS 58 -0.136 16.717 -9.943 458 HA LYS 58 HA LYS 58 2.344 18.129 -9.734 459 1HB LYS 58 2HB LYS 58 -0.179 18.837 -11.260 460 2HB LYS 58 1HB LYS 58 1.422 19.532 -11.521 461 1HG LYS 58 2HG LYS 58 2.298 17.265 -12.052 462 2HG LYS 58 1HG LYS 58 0.673 16.608 -11.855 463 1HD LYS 58 2HD LYS 58 -0.101 18.208 -13.655 464 2HD LYS 58 1HD LYS 58 1.595 18.615 -13.932 465 1HE LYS 58 2HE LYS 58 1.228 16.905 -15.499 466 2HE LYS 58 1HE LYS 58 1.927 16.030 -14.136 467 1HZ LYS 58 1HZ LYS 58 -0.949 16.264 -14.826 468 2HZ LYS 58 2HZ LYS 58 -0.376 15.590 -13.375 469 3HZ LYS 58 3HZ LYS 58 0.003 14.861 -14.863 Start of MODEL 5 1 1H VAL 1 1HT VAL 1 -2.397 -11.518 15.652 2 2H VAL 1 2HT VAL 1 -1.700 -10.479 14.503 3 3H VAL 1 3HT VAL 1 -1.502 -10.171 16.160 4 HA VAL 1 HA VAL 1 0.447 -11.205 14.922 5 HB VAL 1 HB VAL 1 0.936 -12.718 16.883 6 1HG1 VAL 1 1HG1 VAL 1 1.354 -10.250 16.916 7 2HG1 VAL 1 2HG1 VAL 1 1.012 -10.914 18.512 8 3HG1 VAL 1 3HG1 VAL 1 -0.238 -10.025 17.642 9 1HG2 VAL 1 1HG2 VAL 1 -0.760 -12.633 18.762 10 2HG2 VAL 1 2HG2 VAL 1 -1.277 -13.585 17.373 11 3HG2 VAL 1 3HG2 VAL 1 -1.918 -11.960 17.614 12 H ASP 2 H ASP 2 -2.415 -13.177 15.555 13 HA ASP 2 HA ASP 2 -1.478 -15.647 14.579 14 1HB ASP 2 2HB ASP 2 -3.818 -16.275 14.444 15 2HB ASP 2 1HB ASP 2 -3.569 -15.320 15.903 16 H ASN 3 H ASN 3 -2.838 -12.838 12.982 17 HA ASN 3 HA ASN 3 -2.894 -14.155 10.372 18 1HB ASN 3 2HB ASN 3 -3.612 -11.324 11.184 19 2HB ASN 3 1HB ASN 3 -3.889 -12.043 9.601 20 1HD2 ASN 3 1HD2 ASN 3 -5.583 -11.249 12.277 21 2HD2 ASN 3 2HD2 ASN 3 -6.732 -12.497 12.296 22 H LYS 4 H LYS 4 -1.513 -13.720 8.718 23 HA LYS 4 HA LYS 4 1.014 -12.473 9.378 24 1HB LYS 4 2HB LYS 4 0.064 -13.744 6.803 25 2HB LYS 4 1HB LYS 4 1.717 -13.232 7.137 26 1HG LYS 4 2HG LYS 4 1.770 -14.794 9.091 27 2HG LYS 4 1HG LYS 4 0.164 -15.367 8.636 28 1HD LYS 4 2HD LYS 4 1.077 -16.012 6.394 29 2HD LYS 4 1HD LYS 4 2.684 -15.547 6.951 30 1HE LYS 4 2HE LYS 4 2.518 -17.207 8.787 31 2HE LYS 4 1HE LYS 4 0.927 -17.689 8.193 32 1HZ LYS 4 1HZ LYS 4 1.835 -18.539 6.237 33 2HZ LYS 4 2HZ LYS 4 2.913 -19.055 7.445 34 3HZ LYS 4 3HZ LYS 4 3.313 -17.737 6.450 35 H PHE 5 H PHE 5 -1.795 -11.179 8.643 36 HA PHE 5 HA PHE 5 -1.582 -9.530 6.430 37 1HB PHE 5 2HB PHE 5 -2.860 -9.174 9.134 38 2HB PHE 5 1HB PHE 5 -2.904 -7.897 7.933 39 HD1 PHE 5 1HD PHE 5 -5.138 -7.795 7.297 40 HD2 PHE 5 2HD PHE 5 -3.144 -11.614 7.418 41 HE1 PHE 5 1HE PHE 5 -7.114 -8.851 6.255 42 HE2 PHE 5 2HE PHE 5 -5.134 -12.662 6.359 43 HZ PHE 5 HZ PHE 5 -7.114 -11.270 5.780 44 H ASN 6 H ASN 6 -0.792 -8.671 9.804 45 HA ASN 6 HA ASN 6 0.137 -6.107 9.359 46 1HB ASN 6 2HB ASN 6 1.128 -8.071 11.421 47 2HB ASN 6 1HB ASN 6 1.318 -6.322 11.484 48 1HD2 ASN 6 1HD2 ASN 6 -0.369 -8.455 13.104 49 2HD2 ASN 6 2HD2 ASN 6 -1.892 -7.711 13.207 50 H LYS 7 H LYS 7 2.038 -9.115 9.430 51 HA LYS 7 HA LYS 7 4.562 -7.965 8.989 52 1HB LYS 7 2HB LYS 7 4.131 -10.250 9.771 53 2HB LYS 7 1HB LYS 7 3.547 -10.678 8.171 54 1HG LYS 7 2HG LYS 7 6.283 -9.455 8.486 55 2HG LYS 7 1HG LYS 7 6.056 -11.165 8.838 56 1HD LYS 7 2HD LYS 7 5.395 -9.785 6.228 57 2HD LYS 7 1HD LYS 7 6.755 -10.857 6.507 58 1HE LYS 7 2HE LYS 7 5.390 -12.520 5.788 59 2HE LYS 7 1HE LYS 7 4.594 -12.379 7.354 60 1HZ LYS 7 1HZ LYS 7 2.877 -11.189 6.481 61 2HZ LYS 7 2HZ LYS 7 3.265 -12.135 5.124 62 3HZ LYS 7 3HZ LYS 7 3.805 -10.529 5.224 63 H GLU 8 H GLU 8 2.081 -9.107 6.735 64 HA GLU 8 HA GLU 8 3.614 -8.582 4.356 65 1HB GLU 8 2HB GLU 8 1.293 -9.938 4.948 66 2HB GLU 8 1HB GLU 8 0.652 -8.467 4.227 67 1HG GLU 8 2HG GLU 8 0.948 -9.898 2.392 68 2HG GLU 8 1HG GLU 8 2.387 -8.881 2.350 69 H ARG 9 H ARG 9 1.347 -6.858 6.349 70 HA ARG 9 HA ARG 9 0.962 -4.624 4.673 71 1HB ARG 9 2HB ARG 9 0.324 -5.234 7.537 72 2HB ARG 9 1HB ARG 9 0.057 -3.625 6.870 73 1HG ARG 9 2HG ARG 9 -1.461 -4.428 5.249 74 2HG ARG 9 1HG ARG 9 -0.989 -6.102 5.486 75 1HD ARG 9 2HD ARG 9 -3.141 -5.713 6.537 76 2HD ARG 9 1HD ARG 9 -1.930 -5.994 7.786 77 HE ARG 9 HE ARG 9 -1.867 -3.525 8.094 78 1HH1 ARG 9 1HH2 ARG 9 -3.452 -2.637 5.753 79 2HH1 ARG 9 2HH2 ARG 9 -5.027 -2.380 6.424 80 1HH2 ARG 9 1HH1 ARG 9 -4.386 -4.203 9.298 81 2HH2 ARG 9 2HH1 ARG 9 -5.556 -3.264 8.433 82 H VAL 10 H VAL 10 3.279 -5.344 7.223 83 HA VAL 10 HA VAL 10 4.152 -2.704 7.711 84 HB VAL 10 HB VAL 10 5.968 -5.124 7.739 85 1HG1 VAL 10 1HG1 VAL 10 6.792 -2.638 7.922 86 2HG1 VAL 10 2HG1 VAL 10 7.400 -3.833 9.079 87 3HG1 VAL 10 3HG1 VAL 10 6.119 -2.721 9.556 88 1HG2 VAL 10 1HG2 VAL 10 4.625 -5.977 9.333 89 2HG2 VAL 10 2HG2 VAL 10 3.725 -4.466 9.524 90 3HG2 VAL 10 3HG2 VAL 10 5.254 -4.696 10.369 91 H ILE 11 H ILE 11 5.211 -5.254 5.641 92 HA ILE 11 HA ILE 11 7.331 -3.969 4.367 93 HB ILE 11 HB ILE 11 5.444 -6.139 3.419 94 1HG1 ILE 11 2HG1 ILE 11 8.172 -6.471 4.701 95 2HG1 ILE 11 1HG1 ILE 11 6.674 -6.500 5.641 96 1HG2 ILE 11 1HG2 ILE 11 8.271 -5.563 2.510 97 2HG2 ILE 11 2HG2 ILE 11 6.825 -5.079 1.618 98 3HG2 ILE 11 3HG2 ILE 11 7.170 -6.797 1.884 99 1HD1 ILE 11 1HD1 ILE 11 7.086 -8.272 3.218 100 2HD1 ILE 11 2HD1 ILE 11 5.873 -8.432 4.494 101 3HD1 ILE 11 3HD1 ILE 11 7.570 -8.774 4.840 102 H ALA 12 H ALA 12 3.983 -4.492 3.451 103 HA ALA 12 HA ALA 12 4.027 -3.058 1.027 104 1HB ALA 12 1HB ALA 12 1.478 -3.150 1.501 105 2HB ALA 12 2HB ALA 12 1.970 -4.179 2.862 106 3HB ALA 12 3HB ALA 12 2.387 -4.630 1.199 107 H ILE 13 H ILE 13 2.763 -2.120 4.251 108 HA ILE 13 HA ILE 13 1.804 0.401 3.454 109 HB ILE 13 HB ILE 13 1.313 -0.767 5.661 110 1HG1 ILE 13 2HG1 ILE 13 1.955 2.070 5.200 111 2HG1 ILE 13 1HG1 ILE 13 0.488 1.349 5.836 112 1HG2 ILE 13 1HG2 ILE 13 3.915 0.440 6.632 113 2HG2 ILE 13 2HG2 ILE 13 3.845 -1.204 6.034 114 3HG2 ILE 13 3HG2 ILE 13 2.886 -0.749 7.431 115 1HD1 ILE 13 1HD1 ILE 13 1.452 2.662 7.600 116 2HD1 ILE 13 2HD1 ILE 13 3.048 1.955 7.321 117 3HD1 ILE 13 3HD1 ILE 13 1.749 0.968 7.998 118 H GLY 14 H GLY 14 4.878 -0.838 4.483 119 1HA GLY 14 2HA GLY 14 6.265 1.576 4.740 120 2HA GLY 14 1HA GLY 14 6.989 -0.026 4.509 121 H GLU 15 H GLU 15 5.599 -0.657 2.033 122 HA GLU 15 HA GLU 15 7.329 0.646 0.162 123 1HB GLU 15 2HB GLU 15 4.916 -1.141 -0.219 124 2HB GLU 15 1HB GLU 15 5.927 -0.580 -1.545 125 1HG GLU 15 2HG GLU 15 6.429 -2.692 0.472 126 2HG GLU 15 1HG GLU 15 6.930 -2.597 -1.199 127 H ILE 16 H ILE 16 3.854 0.706 0.791 128 HA ILE 16 HA ILE 16 3.276 2.573 -1.212 129 HB ILE 16 HB ILE 16 1.729 1.334 1.005 130 1HG1 ILE 16 2HG1 ILE 16 1.345 1.349 -1.986 131 2HG1 ILE 16 1HG1 ILE 16 2.466 0.257 -1.196 132 1HG2 ILE 16 1HG2 ILE 16 1.023 3.882 0.209 133 2HG2 ILE 16 2HG2 ILE 16 -0.108 2.654 0.762 134 3HG2 ILE 16 3HG2 ILE 16 0.157 2.896 -0.976 135 1HD1 ILE 16 1HD1 ILE 16 -0.367 0.045 -1.486 136 2HD1 ILE 16 2HD1 ILE 16 0.040 0.090 0.235 137 3HD1 ILE 16 3HD1 ILE 16 0.757 -1.130 -0.813 138 H MET 17 H MET 17 3.847 2.939 2.233 139 HA MET 17 HA MET 17 3.056 5.663 2.404 140 1HB MET 17 2HB MET 17 4.839 3.923 4.126 141 2HB MET 17 1HB MET 17 4.494 5.615 4.516 142 1HG MET 17 2HG MET 17 2.336 3.548 4.019 143 2HG MET 17 1HG MET 17 2.944 3.936 5.625 144 1HE MET 17 1HE MET 17 -0.751 5.392 4.844 145 2HE MET 17 2HE MET 17 0.135 3.987 5.435 146 3HE MET 17 3HE MET 17 -0.006 4.259 3.704 147 H ARG 18 H ARG 18 5.822 4.113 1.084 148 HA ARG 18 HA ARG 18 7.727 6.226 1.343 149 1HB ARG 18 2HB ARG 18 8.404 3.919 0.959 150 2HB ARG 18 1HB ARG 18 7.515 3.882 -0.556 151 1HG ARG 18 2HG ARG 18 8.991 5.687 -1.437 152 2HG ARG 18 1HG ARG 18 9.931 5.603 0.058 153 1HD ARG 18 2HD ARG 18 9.430 3.253 -1.782 154 2HD ARG 18 1HD ARG 18 10.893 4.238 -1.820 155 HE ARG 18 HE ARG 18 11.260 3.489 0.544 156 1HH1 ARG 18 1HH1 ARG 18 11.630 1.201 -1.430 157 2HH1 ARG 18 2HH1 ARG 18 10.752 -0.074 -0.652 158 1HH2 ARG 18 1HH2 ARG 18 9.069 2.044 1.506 159 2HH2 ARG 18 2HH2 ARG 18 9.308 0.403 1.008 160 H LEU 19 H LEU 19 5.263 5.337 -0.975 161 HA LEU 19 HA LEU 19 5.862 6.691 -3.238 162 1HB LEU 19 2HB LEU 19 3.130 6.575 -1.964 163 2HB LEU 19 1HB LEU 19 3.498 6.730 -3.685 164 HG LEU 19 HG LEU 19 4.340 4.380 -1.955 165 1HD1 LEU 19 1HD1 LEU 19 1.838 4.588 -2.451 166 2HD1 LEU 19 2HD1 LEU 19 2.624 3.085 -2.919 167 3HD1 LEU 19 3HD1 LEU 19 2.269 4.312 -4.140 168 1HD2 LEU 19 1HD2 LEU 19 4.953 5.277 -4.701 169 2HD2 LEU 19 2HD2 LEU 19 4.571 3.558 -4.520 170 3HD2 LEU 19 3HD2 LEU 19 5.891 4.273 -3.584 171 HA PRO 20 HA PRO 20 6.126 10.876 -1.535 172 1HB PRO 20 2HB PRO 20 7.367 11.733 -3.981 173 2HB PRO 20 1HB PRO 20 8.123 11.451 -2.407 174 1HG PRO 20 2HG PRO 20 8.480 9.941 -4.716 175 2HG PRO 20 1HG PRO 20 8.961 9.485 -3.072 176 1HD PRO 20 2HD PRO 20 6.668 8.541 -4.691 177 2HD PRO 20 1HD PRO 20 7.510 7.751 -3.341 178 H ASN 21 H ASN 21 4.472 9.829 -4.428 179 HA ASN 21 HA ASN 21 3.569 12.574 -5.000 180 1HB ASN 21 2HB ASN 21 2.876 10.019 -6.480 181 2HB ASN 21 1HB ASN 21 2.545 11.659 -6.999 182 1HD2 ASN 21 1HD2 ASN 21 4.477 9.431 -8.043 183 2HD2 ASN 21 2HD2 ASN 21 5.945 10.260 -8.236 184 H LEU 22 H LEU 22 1.884 9.475 -4.646 185 HA LEU 22 HA LEU 22 -0.698 10.144 -4.417 186 1HB LEU 22 2HB LEU 22 0.796 8.304 -2.550 187 2HB LEU 22 1HB LEU 22 -0.958 8.317 -2.761 188 HG LEU 22 HG LEU 22 0.820 8.046 -5.166 189 1HD1 LEU 22 1HD1 LEU 22 1.569 6.407 -3.453 190 2HD1 LEU 22 2HD1 LEU 22 0.863 5.645 -4.874 191 3HD1 LEU 22 3HD1 LEU 22 -0.073 5.770 -3.382 192 1HD2 LEU 22 1HD2 LEU 22 -1.971 8.032 -4.589 193 2HD2 LEU 22 2HD2 LEU 22 -1.516 6.393 -5.067 194 3HD2 LEU 22 3HD2 LEU 22 -1.176 7.762 -6.153 195 H ASN 23 H ASN 23 -2.180 10.805 -2.896 196 HA ASN 23 HA ASN 23 -1.116 12.545 -0.781 197 1HB ASN 23 2HB ASN 23 -3.634 12.984 -0.425 198 2HB ASN 23 1HB ASN 23 -2.912 13.595 -1.909 199 1HD2 ASN 23 1HD2 ASN 23 -4.142 13.143 -3.727 200 2HD2 ASN 23 2HD2 ASN 23 -5.170 11.804 -3.902 201 H SER 24 H SER 24 -2.050 12.276 1.422 202 HA SER 24 HA SER 24 -1.461 9.795 2.438 203 1HB SER 24 2HB SER 24 -2.709 10.434 4.447 204 2HB SER 24 1HB SER 24 -1.639 11.712 3.870 205 HG SER 24 HG SER 24 -4.440 11.478 3.433 206 H LEU 25 H LEU 25 -4.589 10.924 1.245 207 HA LEU 25 HA LEU 25 -6.156 8.797 2.240 208 1HB LEU 25 2HB LEU 25 -6.548 10.280 -0.357 209 2HB LEU 25 1HB LEU 25 -7.767 9.432 0.581 210 HG LEU 25 HG LEU 25 -7.094 11.082 2.498 211 1HD1 LEU 25 1HD1 LEU 25 -5.666 12.178 0.146 212 2HD1 LEU 25 2HD1 LEU 25 -5.396 12.475 1.861 213 3HD1 LEU 25 3HD1 LEU 25 -6.665 13.347 1.006 214 1HD2 LEU 25 1HD2 LEU 25 -8.620 12.832 1.258 215 2HD2 LEU 25 2HD2 LEU 25 -9.271 11.242 1.669 216 3HD2 LEU 25 3HD2 LEU 25 -8.712 11.571 0.025 217 H GLN 26 H GLN 26 -4.548 9.210 -0.911 218 HA GLN 26 HA GLN 26 -5.325 6.708 -1.918 219 1HB GLN 26 2HB GLN 26 -3.085 8.543 -2.551 220 2HB GLN 26 1HB GLN 26 -3.364 7.056 -3.426 221 1HG GLN 26 2HG GLN 26 -5.466 7.759 -4.221 222 2HG GLN 26 1HG GLN 26 -5.610 9.012 -2.978 223 1HE2 GLN 26 1HE2 GLN 26 -5.913 9.370 -5.843 224 2HE2 GLN 26 2HE2 GLN 26 -4.715 10.466 -6.337 225 H VAL 27 H VAL 27 -2.507 7.915 -0.273 226 HA VAL 27 HA VAL 27 -0.903 5.637 -0.219 227 HB VAL 27 HB VAL 27 -1.271 8.044 1.560 228 1HG1 VAL 27 1HG1 VAL 27 0.318 5.632 2.149 229 2HG1 VAL 27 2HG1 VAL 27 -0.338 6.873 3.230 230 3HG1 VAL 27 3HG1 VAL 27 1.152 7.176 2.335 231 1HG2 VAL 27 1HG2 VAL 27 0.739 7.152 -0.501 232 2HG2 VAL 27 2HG2 VAL 27 1.144 8.398 0.677 233 3HG2 VAL 27 3HG2 VAL 27 -0.190 8.649 -0.446 234 H VAL 28 H VAL 28 -3.436 6.835 1.862 235 HA VAL 28 HA VAL 28 -3.329 4.651 3.706 236 HB VAL 28 HB VAL 28 -5.405 6.793 3.396 237 1HG1 VAL 28 1HG1 VAL 28 -4.868 4.736 5.577 238 2HG1 VAL 28 2HG1 VAL 28 -6.274 4.726 4.499 239 3HG1 VAL 28 3HG1 VAL 28 -6.071 6.028 5.677 240 1HG2 VAL 28 1HG2 VAL 28 -4.050 8.029 4.783 241 2HG2 VAL 28 2HG2 VAL 28 -2.772 6.976 4.156 242 3HG2 VAL 28 3HG2 VAL 28 -3.544 6.607 5.701 243 H ALA 29 H ALA 29 -5.118 5.436 0.892 244 HA ALA 29 HA ALA 29 -7.236 3.644 0.945 245 1HB ALA 29 1HB ALA 29 -7.310 3.982 -1.375 246 2HB ALA 29 2HB ALA 29 -5.553 4.158 -1.501 247 3HB ALA 29 3HB ALA 29 -6.529 5.450 -0.786 248 H PHE 30 H PHE 30 -3.870 3.342 0.147 249 HA PHE 30 HA PHE 30 -4.005 0.681 -0.752 250 1HB PHE 30 2HB PHE 30 -1.884 2.624 -0.010 251 2HB PHE 30 1HB PHE 30 -1.503 0.937 -0.253 252 HD1 PHE 30 1HD PHE 30 -2.511 -0.191 -2.378 253 HD2 PHE 30 2HD PHE 30 -1.997 4.021 -1.843 254 HE1 PHE 30 1HE PHE 30 -2.673 0.146 -4.810 255 HE2 PHE 30 2HE PHE 30 -2.236 4.381 -4.223 256 HZ PHE 30 HZ PHE 30 -2.565 2.433 -5.767 257 H ILE 31 H ILE 31 -3.298 2.344 2.339 258 HA ILE 31 HA ILE 31 -2.389 0.050 3.729 259 HB ILE 31 HB ILE 31 -4.226 2.181 4.881 260 1HG1 ILE 31 2HG1 ILE 31 -1.201 2.095 4.972 261 2HG1 ILE 31 1HG1 ILE 31 -2.115 3.117 3.868 262 1HG2 ILE 31 1HG2 ILE 31 -4.088 0.269 6.345 263 2HG2 ILE 31 2HG2 ILE 31 -3.035 1.514 7.015 264 3HG2 ILE 31 3HG2 ILE 31 -2.339 0.161 6.127 265 1HD1 ILE 31 1HD1 ILE 31 -1.471 3.646 6.598 266 2HD1 ILE 31 2HD1 ILE 31 -3.216 3.417 6.506 267 3HD1 ILE 31 3HD1 ILE 31 -2.437 4.637 5.510 268 H ASN 32 H ASN 32 -5.526 1.362 2.926 269 HA ASN 32 HA ASN 32 -7.136 -0.524 4.315 270 1HB ASN 32 2HB ASN 32 -7.534 1.519 2.171 271 2HB ASN 32 1HB ASN 32 -8.834 0.379 2.511 272 1HD2 ASN 32 1HD2 ASN 32 -7.439 3.337 3.478 273 2HD2 ASN 32 2HD2 ASN 32 -8.230 3.497 4.972 274 H SER 33 H SER 33 -5.816 -0.473 1.014 275 HA SER 33 HA SER 33 -7.337 -2.667 0.077 276 1HB SER 33 2HB SER 33 -4.615 -1.748 -0.844 277 2HB SER 33 1HB SER 33 -5.768 -2.727 -1.747 278 HG SER 33 HG SER 33 -6.227 -0.095 -0.784 279 H LEU 34 H LEU 34 -4.295 -2.387 1.822 280 HA LEU 34 HA LEU 34 -3.296 -5.007 1.461 281 1HB LEU 34 2HB LEU 34 -3.025 -3.653 4.136 282 2HB LEU 34 1HB LEU 34 -1.876 -4.686 3.295 283 HG LEU 34 HG LEU 34 -2.569 -1.819 2.706 284 1HD1 LEU 34 1HD1 LEU 34 -0.896 -1.907 4.350 285 2HD1 LEU 34 2HD1 LEU 34 -0.011 -1.688 2.838 286 3HD1 LEU 34 3HD1 LEU 34 -0.103 -3.281 3.581 287 1HD2 LEU 34 1HD2 LEU 34 -2.354 -2.542 0.521 288 2HD2 LEU 34 2HD2 LEU 34 -1.317 -3.894 0.967 289 3HD2 LEU 34 3HD2 LEU 34 -0.660 -2.257 0.921 290 H ARG 35 H ARG 35 -5.448 -3.748 4.000 291 HA ARG 35 HA ARG 35 -5.754 -6.307 5.262 292 1HB ARG 35 2HB ARG 35 -7.567 -5.220 6.555 293 2HB ARG 35 1HB ARG 35 -6.059 -4.327 6.571 294 1HG ARG 35 2HG ARG 35 -6.917 -2.849 4.781 295 2HG ARG 35 1HG ARG 35 -8.456 -3.709 4.834 296 1HD ARG 35 2HD ARG 35 -8.630 -3.088 7.266 297 2HD ARG 35 1HD ARG 35 -7.179 -2.108 7.071 298 HE ARG 35 HE ARG 35 -8.586 -0.478 6.243 299 1HH1 ARG 35 1HH1 ARG 35 -11.025 -2.252 6.957 300 2HH1 ARG 35 2HH1 ARG 35 -11.880 -2.236 5.452 301 1HH2 ARG 35 1HH2 ARG 35 -9.188 -1.044 3.638 302 2HH2 ARG 35 2HH2 ARG 35 -10.840 -1.553 3.574 303 H ASP 36 H ASP 36 -7.473 -4.507 2.827 304 HA ASP 36 HA ASP 36 -9.781 -6.164 2.686 305 1HB ASP 36 2HB ASP 36 -8.455 -4.320 0.670 306 2HB ASP 36 1HB ASP 36 -9.992 -5.131 0.384 307 H ASP 37 H ASP 37 -6.504 -6.434 1.762 308 HA ASP 37 HA ASP 37 -6.764 -9.146 0.923 309 1HB ASP 37 2HB ASP 37 -7.650 -7.792 -1.075 310 2HB ASP 37 1HB ASP 37 -5.986 -7.284 -1.314 311 HA PRO 38 HA PRO 38 -2.546 -7.988 2.351 312 1HB PRO 38 2HB PRO 38 -2.260 -10.673 3.361 313 2HB PRO 38 1HB PRO 38 -2.408 -9.162 4.268 314 1HG PRO 38 2HG PRO 38 -4.302 -11.186 4.115 315 2HG PRO 38 1HG PRO 38 -4.544 -9.550 4.726 316 1HD PRO 38 2HD PRO 38 -5.430 -10.728 2.171 317 2HD PRO 38 1HD PRO 38 -6.057 -9.311 3.041 318 H SER 39 H SER 39 -3.691 -10.828 0.615 319 HA SER 39 HA SER 39 -1.203 -11.806 -0.316 320 1HB SER 39 2HB SER 39 -3.404 -13.046 -0.417 321 2HB SER 39 1HB SER 39 -3.871 -11.987 -1.743 322 HG SER 39 HG SER 39 -1.948 -12.710 -2.823 323 H GLN 40 H GLN 40 -3.366 -9.264 -1.297 324 HA GLN 40 HA GLN 40 -1.882 -8.734 -3.741 325 1HB GLN 40 2HB GLN 40 -4.346 -7.477 -2.537 326 2HB GLN 40 1HB GLN 40 -3.583 -6.885 -4.008 327 1HG GLN 40 2HG GLN 40 -4.417 -9.773 -3.688 328 2HG GLN 40 1HG GLN 40 -5.519 -8.547 -4.309 329 1HE2 GLN 40 1HE2 GLN 40 -4.602 -7.252 -6.259 330 2HE2 GLN 40 2HE2 GLN 40 -3.649 -8.110 -7.369 331 H SER 41 H SER 41 -1.230 -8.138 -0.624 332 HA SER 41 HA SER 41 -0.776 -5.386 -0.373 333 1HB SER 41 2HB SER 41 0.836 -5.948 1.345 334 2HB SER 41 1HB SER 41 -0.467 -7.117 1.459 335 HG SER 41 HG SER 41 2.137 -7.516 0.955 336 H ALA 42 H ALA 42 0.894 -7.909 -2.021 337 HA ALA 42 HA ALA 42 3.280 -6.576 -2.748 338 1HB ALA 42 1HB ALA 42 1.868 -8.844 -4.143 339 2HB ALA 42 2HB ALA 42 2.889 -9.058 -2.712 340 3HB ALA 42 3HB ALA 42 3.594 -8.465 -4.218 341 H ASN 43 H ASN 43 0.180 -7.115 -4.268 342 HA ASN 43 HA ASN 43 0.772 -6.036 -6.840 343 1HB ASN 43 2HB ASN 43 -1.664 -6.700 -5.248 344 2HB ASN 43 1HB ASN 43 -1.784 -5.993 -6.856 345 1HD2 ASN 43 1HD2 ASN 43 -1.723 -7.474 -8.587 346 2HD2 ASN 43 2HD2 ASN 43 -1.187 -9.079 -8.459 347 H LEU 44 H LEU 44 -0.598 -4.924 -3.882 348 HA LEU 44 HA LEU 44 -1.765 -2.579 -4.797 349 1HB LEU 44 2HB LEU 44 -0.915 -3.509 -2.099 350 2HB LEU 44 1HB LEU 44 -1.798 -2.009 -2.343 351 HG LEU 44 HG LEU 44 -2.739 -4.579 -3.593 352 1HD1 LEU 44 1HD1 LEU 44 -3.441 -3.567 -0.840 353 2HD1 LEU 44 2HD1 LEU 44 -2.664 -5.095 -1.240 354 3HD1 LEU 44 3HD1 LEU 44 -4.335 -4.812 -1.706 355 1HD2 LEU 44 1HD2 LEU 44 -4.894 -3.373 -3.538 356 2HD2 LEU 44 2HD2 LEU 44 -3.650 -2.547 -4.481 357 3HD2 LEU 44 3HD2 LEU 44 -4.055 -1.978 -2.852 358 H LEU 45 H LEU 45 1.513 -3.046 -3.476 359 HA LEU 45 HA LEU 45 1.952 -0.188 -3.632 360 1HB LEU 45 2HB LEU 45 4.497 -1.438 -4.083 361 2HB LEU 45 1HB LEU 45 3.982 -0.466 -2.722 362 HG LEU 45 HG LEU 45 4.800 -2.594 -1.963 363 1HD1 LEU 45 1HD1 LEU 45 2.909 -3.303 -0.640 364 2HD1 LEU 45 2HD1 LEU 45 1.795 -2.524 -1.747 365 3HD1 LEU 45 3HD1 LEU 45 2.900 -1.549 -0.788 366 1HD2 LEU 45 1HD2 LEU 45 2.675 -4.197 -3.178 367 2HD2 LEU 45 2HD2 LEU 45 4.384 -4.548 -2.998 368 3HD2 LEU 45 3HD2 LEU 45 3.824 -3.531 -4.332 369 H ALA 46 H ALA 46 2.110 -2.938 -5.694 370 HA ALA 46 HA ALA 46 3.531 -1.861 -7.890 371 1HB ALA 46 1HB ALA 46 2.316 -4.256 -7.332 372 2HB ALA 46 2HB ALA 46 2.908 -3.795 -8.929 373 3HB ALA 46 3HB ALA 46 1.207 -3.565 -8.513 374 H GLU 47 H GLU 47 0.156 -1.897 -6.930 375 HA GLU 47 HA GLU 47 -0.952 -0.428 -9.092 376 1HB GLU 47 2HB GLU 47 -1.672 -1.352 -6.362 377 2HB GLU 47 1HB GLU 47 -2.570 0.047 -6.960 378 1HG GLU 47 2HG GLU 47 -3.559 -1.146 -8.676 379 2HG GLU 47 1HG GLU 47 -2.251 -2.325 -8.760 380 H ALA 48 H ALA 48 0.044 0.300 -5.846 381 HA ALA 48 HA ALA 48 -0.431 3.032 -5.733 382 1HB ALA 48 1HB ALA 48 0.293 1.249 -3.936 383 2HB ALA 48 2HB ALA 48 0.636 2.956 -3.716 384 3HB ALA 48 3HB ALA 48 1.896 1.867 -4.308 385 H LYS 49 H LYS 49 2.502 1.265 -6.607 386 HA LYS 49 HA LYS 49 4.108 3.550 -7.117 387 1HB LYS 49 2HB LYS 49 4.205 0.710 -8.166 388 2HB LYS 49 1HB LYS 49 5.390 1.931 -8.633 389 1HG LYS 49 2HG LYS 49 6.029 2.267 -6.297 390 2HG LYS 49 1HG LYS 49 4.792 1.139 -5.760 391 1HD LYS 49 2HD LYS 49 5.942 -0.630 -7.189 392 2HD LYS 49 1HD LYS 49 7.261 0.523 -7.403 393 1HE LYS 49 2HE LYS 49 7.198 0.670 -4.778 394 2HE LYS 49 1HE LYS 49 6.358 -0.878 -4.895 395 1HZ LYS 49 1HZ LYS 49 8.763 -1.143 -4.682 396 2HZ LYS 49 2HZ LYS 49 8.995 -0.267 -6.120 397 3HZ LYS 49 3HZ LYS 49 8.195 -1.765 -6.154 398 H LYS 50 H LYS 50 1.723 1.740 -8.966 399 HA LYS 50 HA LYS 50 2.180 3.089 -11.460 400 1HB LYS 50 2HB LYS 50 0.399 1.031 -10.444 401 2HB LYS 50 1HB LYS 50 -0.505 2.216 -11.377 402 1HG LYS 50 2HG LYS 50 0.183 0.743 -13.048 403 2HG LYS 50 1HG LYS 50 1.462 1.952 -13.106 404 1HD LYS 50 2HD LYS 50 2.709 -0.020 -13.038 405 2HD LYS 50 1HD LYS 50 2.627 0.387 -11.325 406 1HE LYS 50 2HE LYS 50 0.476 -1.072 -11.293 407 2HE LYS 50 1HE LYS 50 1.048 -1.695 -12.841 408 1HZ LYS 50 1HZ LYS 50 1.753 -2.930 -10.757 409 2HZ LYS 50 2HZ LYS 50 2.792 -1.620 -10.455 410 3HZ LYS 50 3HZ LYS 50 2.973 -2.545 -11.870 411 H LEU 51 H LEU 51 0.099 3.535 -8.667 412 HA LEU 51 HA LEU 51 -1.525 5.659 -9.637 413 1HB LEU 51 2HB LEU 51 -0.820 4.487 -7.000 414 2HB LEU 51 1HB LEU 51 -1.487 6.090 -7.021 415 HG LEU 51 HG LEU 51 -3.139 4.249 -6.685 416 1HD1 LEU 51 1HD1 LEU 51 -4.732 5.237 -8.476 417 2HD1 LEU 51 2HD1 LEU 51 -3.379 6.302 -8.854 418 3HD1 LEU 51 3HD1 LEU 51 -4.075 6.303 -7.226 419 1HD2 LEU 51 1HD2 LEU 51 -3.867 3.285 -9.056 420 2HD2 LEU 51 2HD2 LEU 51 -2.646 2.472 -8.070 421 3HD2 LEU 51 3HD2 LEU 51 -2.154 3.508 -9.411 422 H ASN 52 H ASN 52 1.392 5.458 -7.720 423 HA ASN 52 HA ASN 52 1.774 8.146 -7.101 424 1HB ASN 52 2HB ASN 52 2.885 6.179 -6.030 425 2HB ASN 52 1HB ASN 52 3.830 5.951 -7.495 426 1HD2 ASN 52 1HD2 ASN 52 5.717 7.191 -7.722 427 2HD2 ASN 52 2HD2 ASN 52 6.189 8.402 -6.630 428 H ASP 53 H ASP 53 3.041 6.104 -9.643 429 HA ASP 53 HA ASP 53 4.467 8.127 -10.985 430 1HB ASP 53 2HB ASP 53 3.546 5.393 -11.856 431 2HB ASP 53 1HB ASP 53 4.644 6.408 -12.788 432 H ALA 54 H ALA 54 1.264 6.712 -11.339 433 HA ALA 54 HA ALA 54 0.664 7.881 -13.879 434 1HB ALA 54 1HB ALA 54 -0.498 5.919 -13.134 435 2HB ALA 54 2HB ALA 54 -1.667 7.230 -13.293 436 3HB ALA 54 3HB ALA 54 -1.073 6.767 -11.696 437 H GLN 55 H GLN 55 -0.114 8.846 -10.526 438 HA GLN 55 HA GLN 55 -1.752 11.051 -11.483 439 1HB GLN 55 2HB GLN 55 -0.782 10.222 -8.752 440 2HB GLN 55 1HB GLN 55 -1.907 11.538 -9.061 441 1HG GLN 55 2HG GLN 55 -3.520 10.002 -10.033 442 2HG GLN 55 1HG GLN 55 -2.382 8.662 -9.874 443 1HE2 GLN 55 1HE2 GLN 55 -1.905 10.684 -7.235 444 2HE2 GLN 55 2HE2 GLN 55 -2.891 9.855 -6.126 445 H ALA 56 H ALA 56 1.272 10.550 -9.795 446 HA ALA 56 HA ALA 56 2.940 12.031 -9.148 447 1HB ALA 56 1HB ALA 56 3.430 11.536 -11.542 448 2HB ALA 56 2HB ALA 56 4.011 13.121 -11.032 449 3HB ALA 56 3HB ALA 56 2.537 12.988 -11.993 450 HA PRO 57 HA PRO 57 -0.713 15.227 -8.524 451 1HB PRO 57 2HB PRO 57 0.402 15.353 -5.848 452 2HB PRO 57 1HB PRO 57 -1.185 14.747 -6.362 453 1HG PRO 57 2HG PRO 57 1.361 13.286 -5.974 454 2HG PRO 57 1HG PRO 57 -0.310 12.732 -5.724 455 1HD PRO 57 2HD PRO 57 0.950 11.830 -7.843 456 2HD PRO 57 1HD PRO 57 -0.669 12.507 -8.065 457 H LYS 58 H LYS 58 -0.300 17.216 -9.137 458 HA LYS 58 HA LYS 58 0.599 19.310 -9.361 459 1HB LYS 58 2HB LYS 58 2.505 18.513 -7.140 460 2HB LYS 58 1HB LYS 58 2.217 20.141 -7.736 461 1HG LYS 58 2HG LYS 58 -0.028 20.159 -6.935 462 2HG LYS 58 1HG LYS 58 -0.025 18.421 -6.650 463 1HD LYS 58 2HD LYS 58 2.070 19.977 -5.217 464 2HD LYS 58 1HD LYS 58 0.409 20.239 -4.686 465 1HE LYS 58 2HE LYS 58 1.239 18.420 -3.369 466 2HE LYS 58 1HE LYS 58 0.174 17.698 -4.576 467 1HZ LYS 58 1HZ LYS 58 2.006 17.019 -5.864 468 2HZ LYS 58 2HZ LYS 58 2.390 16.592 -4.265 469 3HZ LYS 58 3HZ LYS 58 3.098 17.963 -4.974 Start of MODEL 6 1 1H VAL 1 1HT VAL 1 -3.414 -13.188 19.000 2 2H VAL 1 2HT VAL 1 -1.881 -12.574 19.398 3 3H VAL 1 3HT VAL 1 -2.289 -14.174 19.799 4 HA VAL 1 HA VAL 1 -0.804 -13.770 17.770 5 HB VAL 1 HB VAL 1 -1.865 -15.936 18.428 6 1HG1 VAL 1 1HG1 VAL 1 -4.118 -15.128 16.563 7 2HG1 VAL 1 2HG1 VAL 1 -4.234 -15.056 18.321 8 3HG1 VAL 1 3HG1 VAL 1 -3.996 -16.606 17.517 9 1HG2 VAL 1 1HG2 VAL 1 -2.100 -15.515 15.435 10 2HG2 VAL 1 2HG2 VAL 1 -1.624 -16.983 16.289 11 3HG2 VAL 1 3HG2 VAL 1 -0.544 -15.590 16.262 12 H ASP 2 H ASP 2 -0.916 -13.435 15.477 13 HA ASP 2 HA ASP 2 -3.294 -12.053 14.437 14 1HB ASP 2 2HB ASP 2 -1.714 -10.327 15.359 15 2HB ASP 2 1HB ASP 2 -0.504 -10.890 14.209 16 H ASN 3 H ASN 3 -3.392 -11.988 12.152 17 HA ASN 3 HA ASN 3 -2.324 -14.300 10.849 18 1HB ASN 3 2HB ASN 3 -3.696 -11.887 9.632 19 2HB ASN 3 1HB ASN 3 -3.498 -13.467 8.877 20 1HD2 ASN 3 1HD2 ASN 3 -4.200 -15.207 10.968 21 2HD2 ASN 3 2HD2 ASN 3 -5.812 -14.930 11.419 22 H LYS 4 H LYS 4 -1.419 -13.813 8.460 23 HA LYS 4 HA LYS 4 1.152 -12.582 8.880 24 1HB LYS 4 2HB LYS 4 -0.046 -13.742 6.359 25 2HB LYS 4 1HB LYS 4 1.644 -13.296 6.581 26 1HG LYS 4 2HG LYS 4 1.791 -14.931 8.470 27 2HG LYS 4 1HG LYS 4 0.140 -15.441 8.115 28 1HD LYS 4 2HD LYS 4 0.869 -16.016 5.786 29 2HD LYS 4 1HD LYS 4 2.526 -15.632 6.248 30 1HE LYS 4 2HE LYS 4 0.814 -17.709 7.647 31 2HE LYS 4 1HE LYS 4 1.991 -18.083 6.389 32 1HZ LYS 4 1HZ LYS 4 3.041 -18.371 8.485 33 2HZ LYS 4 2HZ LYS 4 2.525 -16.848 9.033 34 3HZ LYS 4 3HZ LYS 4 3.683 -16.961 7.795 35 H PHE 5 H PHE 5 -1.703 -11.238 8.433 36 HA PHE 5 HA PHE 5 -1.610 -9.508 6.258 37 1HB PHE 5 2HB PHE 5 -2.758 -9.288 9.028 38 2HB PHE 5 1HB PHE 5 -2.848 -7.948 7.901 39 HD1 PHE 5 1HD PHE 5 -5.070 -7.784 7.281 40 HD2 PHE 5 2HD PHE 5 -3.166 -11.648 7.303 41 HE1 PHE 5 1HE PHE 5 -7.103 -8.778 6.288 42 HE2 PHE 5 2HE PHE 5 -5.214 -12.638 6.295 43 HZ PHE 5 HZ PHE 5 -7.177 -11.191 5.790 44 H ASN 6 H ASN 6 -0.721 -8.784 9.634 45 HA ASN 6 HA ASN 6 0.214 -6.209 9.229 46 1HB ASN 6 2HB ASN 6 1.073 -8.243 11.277 47 2HB ASN 6 1HB ASN 6 1.467 -6.530 11.342 48 1HD2 ASN 6 1HD2 ASN 6 -0.015 -7.569 13.460 49 2HD2 ASN 6 2HD2 ASN 6 -1.622 -7.031 13.370 50 H LYS 7 H LYS 7 2.082 -9.235 9.247 51 HA LYS 7 HA LYS 7 4.619 -8.114 8.861 52 1HB LYS 7 2HB LYS 7 4.114 -10.434 9.528 53 2HB LYS 7 1HB LYS 7 3.579 -10.768 7.889 54 1HG LYS 7 2HG LYS 7 6.322 -9.613 8.368 55 2HG LYS 7 1HG LYS 7 6.054 -11.337 8.606 56 1HD LYS 7 2HD LYS 7 5.496 -9.797 6.061 57 2HD LYS 7 1HD LYS 7 6.849 -10.881 6.322 58 1HE LYS 7 2HE LYS 7 5.541 -12.539 5.517 59 2HE LYS 7 1HE LYS 7 4.595 -12.409 7.000 60 1HZ LYS 7 1HZ LYS 7 3.301 -12.178 4.896 61 2HZ LYS 7 2HZ LYS 7 4.120 -10.718 4.608 62 3HZ LYS 7 3HZ LYS 7 3.125 -10.882 5.974 63 H GLU 8 H GLU 8 2.149 -9.158 6.525 64 HA GLU 8 HA GLU 8 3.752 -8.506 4.220 65 1HB GLU 8 2HB GLU 8 1.801 -10.141 4.321 66 2HB GLU 8 1HB GLU 8 0.736 -8.742 4.403 67 1HG GLU 8 2HG GLU 8 0.893 -9.425 2.098 68 2HG GLU 8 1HG GLU 8 1.752 -7.903 2.283 69 H ARG 9 H ARG 9 1.384 -6.910 6.203 70 HA ARG 9 HA ARG 9 0.980 -4.628 4.613 71 1HB ARG 9 2HB ARG 9 0.378 -5.310 7.468 72 2HB ARG 9 1HB ARG 9 0.099 -3.686 6.849 73 1HG ARG 9 2HG ARG 9 -1.466 -4.428 5.263 74 2HG ARG 9 1HG ARG 9 -0.953 -6.103 5.375 75 1HD ARG 9 2HD ARG 9 -3.032 -5.959 6.534 76 2HD ARG 9 1HD ARG 9 -1.788 -6.061 7.778 77 HE ARG 9 HE ARG 9 -2.252 -3.341 7.253 78 1HH1 ARG 9 1HH2 ARG 9 -2.660 -5.335 9.755 79 2HH1 ARG 9 2HH2 ARG 9 -4.214 -4.773 10.273 80 1HH2 ARG 9 1HH1 ARG 9 -4.803 -2.943 7.392 81 2HH2 ARG 9 2HH1 ARG 9 -5.427 -3.420 8.935 82 H VAL 10 H VAL 10 3.342 -5.416 7.100 83 HA VAL 10 HA VAL 10 4.219 -2.789 7.652 84 HB VAL 10 HB VAL 10 6.039 -5.207 7.575 85 1HG1 VAL 10 1HG1 VAL 10 7.482 -3.962 8.947 86 2HG1 VAL 10 2HG1 VAL 10 6.203 -2.868 9.472 87 3HG1 VAL 10 3HG1 VAL 10 6.862 -2.732 7.837 88 1HG2 VAL 10 1HG2 VAL 10 4.710 -6.122 9.151 89 2HG2 VAL 10 2HG2 VAL 10 3.824 -4.614 9.420 90 3HG2 VAL 10 3HG2 VAL 10 5.366 -4.888 10.226 91 H ILE 11 H ILE 11 5.275 -5.282 5.506 92 HA ILE 11 HA ILE 11 7.356 -3.955 4.213 93 HB ILE 11 HB ILE 11 5.479 -6.117 3.226 94 1HG1 ILE 11 2HG1 ILE 11 8.209 -6.468 4.497 95 2HG1 ILE 11 1HG1 ILE 11 6.716 -6.523 5.439 96 1HG2 ILE 11 1HG2 ILE 11 8.299 -5.470 2.336 97 2HG2 ILE 11 2HG2 ILE 11 6.842 -5.014 1.449 98 3HG2 ILE 11 3HG2 ILE 11 7.237 -6.724 1.686 99 1HD1 ILE 11 1HD1 ILE 11 7.084 -8.232 2.969 100 2HD1 ILE 11 2HD1 ILE 11 5.930 -8.444 4.291 101 3HD1 ILE 11 3HD1 ILE 11 7.644 -8.770 4.555 102 H ALA 12 H ALA 12 3.985 -4.443 3.391 103 HA ALA 12 HA ALA 12 3.987 -2.971 0.981 104 1HB ALA 12 1HB ALA 12 2.372 -4.585 1.178 105 2HB ALA 12 2HB ALA 12 1.455 -3.105 1.458 106 3HB ALA 12 3HB ALA 12 1.951 -4.114 2.830 107 H ILE 13 H ILE 13 2.760 -2.111 4.248 108 HA ILE 13 HA ILE 13 1.784 0.422 3.506 109 HB ILE 13 HB ILE 13 1.295 -0.798 5.685 110 1HG1 ILE 13 2HG1 ILE 13 1.920 2.057 5.286 111 2HG1 ILE 13 1HG1 ILE 13 0.450 1.310 5.891 112 1HG2 ILE 13 1HG2 ILE 13 2.862 -0.812 7.457 113 2HG2 ILE 13 2HG2 ILE 13 3.879 0.412 6.698 114 3HG2 ILE 13 3HG2 ILE 13 3.838 -1.217 6.056 115 1HD1 ILE 13 1HD1 ILE 13 2.993 1.901 7.414 116 2HD1 ILE 13 2HD1 ILE 13 1.697 0.886 8.056 117 3HD1 ILE 13 3HD1 ILE 13 1.388 2.587 7.695 118 H GLY 14 H GLY 14 4.862 -0.814 4.537 119 1HA GLY 14 2HA GLY 14 6.222 1.619 4.827 120 2HA GLY 14 1HA GLY 14 6.966 0.026 4.598 121 H GLU 15 H GLU 15 5.619 -0.621 2.115 122 HA GLU 15 HA GLU 15 7.359 0.674 0.252 123 1HB GLU 15 2HB GLU 15 4.932 -1.096 -0.104 124 2HB GLU 15 1HB GLU 15 5.905 -0.521 -1.450 125 1HG GLU 15 2HG GLU 15 7.599 -1.717 0.578 126 2HG GLU 15 1HG GLU 15 6.309 -2.835 0.105 127 H ILE 16 H ILE 16 3.886 0.741 0.864 128 HA ILE 16 HA ILE 16 3.297 2.603 -1.132 129 HB ILE 16 HB ILE 16 1.748 1.381 1.096 130 1HG1 ILE 16 2HG1 ILE 16 1.415 1.323 -1.903 131 2HG1 ILE 16 1HG1 ILE 16 2.497 0.238 -1.056 132 1HG2 ILE 16 1HG2 ILE 16 -0.095 2.679 0.807 133 2HG2 ILE 16 2HG2 ILE 16 0.180 2.877 -0.936 134 3HG2 ILE 16 3HG2 ILE 16 1.028 3.903 0.221 135 1HD1 ILE 16 1HD1 ILE 16 -0.330 0.061 -1.406 136 2HD1 ILE 16 2HD1 ILE 16 0.038 0.156 0.323 137 3HD1 ILE 16 3HD1 ILE 16 0.757 -1.109 -0.666 138 H MET 17 H MET 17 3.827 2.971 2.320 139 HA MET 17 HA MET 17 3.006 5.676 2.502 140 1HB MET 17 2HB MET 17 4.808 3.946 4.211 141 2HB MET 17 1HB MET 17 4.474 5.638 4.607 142 1HG MET 17 2HG MET 17 2.307 3.573 4.128 143 2HG MET 17 1HG MET 17 2.918 3.980 5.728 144 1HE MET 17 1HE MET 17 0.068 4.055 5.505 145 2HE MET 17 2HE MET 17 0.009 4.269 3.759 146 3HE MET 17 3HE MET 17 -0.779 5.445 4.812 147 H ARG 18 H ARG 18 5.825 4.196 1.189 148 HA ARG 18 HA ARG 18 7.660 6.371 1.444 149 1HB ARG 18 2HB ARG 18 8.402 4.070 1.020 150 2HB ARG 18 1HB ARG 18 7.551 4.067 -0.521 151 1HG ARG 18 2HG ARG 18 8.982 5.945 -1.299 152 2HG ARG 18 1HG ARG 18 9.870 5.874 0.227 153 1HD ARG 18 2HD ARG 18 10.446 3.497 -0.270 154 2HD ARG 18 1HD ARG 18 9.632 3.655 -1.825 155 HE ARG 18 HE ARG 18 11.449 4.899 -2.606 156 1HH1 ARG 18 1HH2 ARG 18 11.819 6.902 -0.488 157 2HH1 ARG 18 2HH2 ARG 18 13.330 6.457 0.233 158 1HH2 ARG 18 1HH1 ARG 18 13.322 3.262 -1.106 159 2HH2 ARG 18 2HH1 ARG 18 14.180 4.395 -0.117 160 H LEU 19 H LEU 19 5.265 5.379 -0.905 161 HA LEU 19 HA LEU 19 5.804 6.757 -3.155 162 1HB LEU 19 2HB LEU 19 3.076 6.522 -1.885 163 2HB LEU 19 1HB LEU 19 3.435 6.703 -3.603 164 HG LEU 19 HG LEU 19 4.364 4.386 -1.873 165 1HD1 LEU 19 1HD1 LEU 19 2.373 4.233 -4.122 166 2HD1 LEU 19 2HD1 LEU 19 1.879 4.469 -2.445 167 3HD1 LEU 19 3HD1 LEU 19 2.756 3.015 -2.906 168 1HD2 LEU 19 1HD2 LEU 19 5.972 4.363 -3.453 169 2HD2 LEU 19 2HD2 LEU 19 5.020 5.321 -4.600 170 3HD2 LEU 19 3HD2 LEU 19 4.720 3.586 -4.428 171 HA PRO 20 HA PRO 20 5.869 10.963 -1.467 172 1HB PRO 20 2HB PRO 20 7.273 11.815 -3.828 173 2HB PRO 20 1HB PRO 20 7.913 11.579 -2.195 174 1HG PRO 20 2HG PRO 20 8.502 10.045 -4.430 175 2HG PRO 20 1HG PRO 20 8.827 9.607 -2.744 176 1HD PRO 20 2HD PRO 20 6.683 8.648 -4.562 177 2HD PRO 20 1HD PRO 20 7.442 7.841 -3.173 178 H ASN 21 H ASN 21 4.569 9.865 -4.541 179 HA ASN 21 HA ASN 21 3.614 12.541 -5.245 180 1HB ASN 21 2HB ASN 21 3.514 9.862 -6.556 181 2HB ASN 21 1HB ASN 21 2.344 11.058 -7.059 182 1HD2 ASN 21 1HD2 ASN 21 5.421 9.949 -7.701 183 2HD2 ASN 21 2HD2 ASN 21 6.059 11.331 -8.439 184 H LEU 22 H LEU 22 2.039 9.449 -4.618 185 HA LEU 22 HA LEU 22 -0.584 10.075 -4.573 186 1HB LEU 22 2HB LEU 22 0.919 8.367 -2.595 187 2HB LEU 22 1HB LEU 22 -0.839 8.344 -2.797 188 HG LEU 22 HG LEU 22 0.908 8.012 -5.206 189 1HD1 LEU 22 1HD1 LEU 22 1.790 6.108 -4.482 190 2HD1 LEU 22 2HD1 LEU 22 0.176 5.445 -4.231 191 3HD1 LEU 22 3HD1 LEU 22 0.998 6.294 -2.919 192 1HD2 LEU 22 1HD2 LEU 22 -1.858 7.965 -4.595 193 2HD2 LEU 22 2HD2 LEU 22 -1.390 6.304 -4.970 194 3HD2 LEU 22 3HD2 LEU 22 -1.082 7.598 -6.139 195 H ASN 23 H ASN 23 -2.120 10.670 -3.114 196 HA ASN 23 HA ASN 23 -1.273 12.620 -1.088 197 1HB ASN 23 2HB ASN 23 -3.852 12.778 -0.821 198 2HB ASN 23 1HB ASN 23 -3.145 13.418 -2.302 199 1HD2 ASN 23 1HD2 ASN 23 -3.599 12.303 -4.302 200 2HD2 ASN 23 2HD2 ASN 23 -4.716 11.026 -4.389 201 H SER 24 H SER 24 -1.980 12.346 1.104 202 HA SER 24 HA SER 24 -1.310 9.908 2.170 203 1HB SER 24 2HB SER 24 -3.229 11.876 3.376 204 2HB SER 24 1HB SER 24 -2.334 10.612 4.231 205 HG SER 24 HG SER 24 -0.408 11.660 3.444 206 H LEU 25 H LEU 25 -4.484 10.983 1.052 207 HA LEU 25 HA LEU 25 -6.030 8.899 2.166 208 1HB LEU 25 2HB LEU 25 -6.396 10.497 -0.367 209 2HB LEU 25 1HB LEU 25 -7.591 9.382 0.273 210 HG LEU 25 HG LEU 25 -7.672 10.737 2.375 211 1HD1 LEU 25 1HD1 LEU 25 -5.652 12.368 0.842 212 2HD1 LEU 25 2HD1 LEU 25 -5.646 11.919 2.549 213 3HD1 LEU 25 3HD1 LEU 25 -6.753 13.163 1.966 214 1HD2 LEU 25 1HD2 LEU 25 -9.408 11.286 0.940 215 2HD2 LEU 25 2HD2 LEU 25 -8.309 11.809 -0.341 216 3HD2 LEU 25 3HD2 LEU 25 -8.591 12.848 1.060 217 H GLN 26 H GLN 26 -4.439 9.185 -1.024 218 HA GLN 26 HA GLN 26 -5.239 6.642 -1.917 219 1HB GLN 26 2HB GLN 26 -3.012 8.462 -2.657 220 2HB GLN 26 1HB GLN 26 -3.174 6.884 -3.395 221 1HG GLN 26 2HG GLN 26 -5.430 8.890 -3.281 222 2HG GLN 26 1HG GLN 26 -4.302 8.807 -4.643 223 1HE2 GLN 26 1HE2 GLN 26 -4.084 6.428 -5.567 224 2HE2 GLN 26 2HE2 GLN 26 -5.537 5.566 -5.714 225 H VAL 27 H VAL 27 -2.407 7.885 -0.328 226 HA VAL 27 HA VAL 27 -0.836 5.598 -0.173 227 HB VAL 27 HB VAL 27 -1.206 8.072 1.505 228 1HG1 VAL 27 1HG1 VAL 27 0.324 5.675 2.245 229 2HG1 VAL 27 2HG1 VAL 27 -0.299 7.000 3.246 230 3HG1 VAL 27 3HG1 VAL 27 1.207 7.200 2.346 231 1HG2 VAL 27 1HG2 VAL 27 0.779 7.094 -0.528 232 2HG2 VAL 27 2HG2 VAL 27 1.252 8.325 0.643 233 3HG2 VAL 27 3HG2 VAL 27 -0.084 8.632 -0.466 234 H VAL 28 H VAL 28 -3.366 6.891 1.857 235 HA VAL 28 HA VAL 28 -3.320 4.754 3.759 236 HB VAL 28 HB VAL 28 -5.344 6.934 3.360 237 1HG1 VAL 28 1HG1 VAL 28 -5.950 6.301 5.726 238 2HG1 VAL 28 2HG1 VAL 28 -4.869 4.912 5.586 239 3HG1 VAL 28 3HG1 VAL 28 -6.315 5.015 4.572 240 1HG2 VAL 28 1HG2 VAL 28 -3.955 8.198 4.678 241 2HG2 VAL 28 2HG2 VAL 28 -2.708 7.076 4.109 242 3HG2 VAL 28 3HG2 VAL 28 -3.492 6.809 5.667 243 H ALA 29 H ALA 29 -5.064 5.505 0.904 244 HA ALA 29 HA ALA 29 -7.214 3.750 0.988 245 1HB ALA 29 1HB ALA 29 -7.281 4.027 -1.345 246 2HB ALA 29 2HB ALA 29 -5.526 4.205 -1.473 247 3HB ALA 29 3HB ALA 29 -6.506 5.512 -0.789 248 H PHE 30 H PHE 30 -3.856 3.385 0.131 249 HA PHE 30 HA PHE 30 -4.035 0.709 -0.692 250 1HB PHE 30 2HB PHE 30 -1.864 2.608 0.026 251 2HB PHE 30 1HB PHE 30 -1.534 0.906 -0.193 252 HD1 PHE 30 1HD PHE 30 -2.508 -0.230 -2.303 253 HD2 PHE 30 2HD PHE 30 -1.987 3.976 -1.825 254 HE1 PHE 30 1HE PHE 30 -2.657 0.066 -4.742 255 HE2 PHE 30 2HE PHE 30 -2.210 4.304 -4.214 256 HZ PHE 30 HZ PHE 30 -2.536 2.339 -5.732 257 H ILE 31 H ILE 31 -3.344 2.400 2.381 258 HA ILE 31 HA ILE 31 -2.430 0.128 3.794 259 HB ILE 31 HB ILE 31 -4.281 2.281 4.892 260 1HG1 ILE 31 2HG1 ILE 31 -1.261 2.142 5.053 261 2HG1 ILE 31 1HG1 ILE 31 -2.137 3.167 3.919 262 1HG2 ILE 31 1HG2 ILE 31 -3.161 1.623 7.063 263 2HG2 ILE 31 2HG2 ILE 31 -2.459 0.249 6.213 264 3HG2 ILE 31 3HG2 ILE 31 -4.211 0.380 6.381 265 1HD1 ILE 31 1HD1 ILE 31 -3.303 3.523 6.509 266 2HD1 ILE 31 2HD1 ILE 31 -2.446 4.711 5.538 267 3HD1 ILE 31 3HD1 ILE 31 -1.556 3.696 6.669 268 H ASN 32 H ASN 32 -5.568 1.358 2.887 269 HA ASN 32 HA ASN 32 -7.191 -0.526 4.277 270 1HB ASN 32 2HB ASN 32 -7.667 1.779 2.933 271 2HB ASN 32 1HB ASN 32 -8.154 0.610 1.710 272 1HD2 ASN 32 1HD2 ASN 32 -9.292 2.313 4.398 273 2HD2 ASN 32 2HD2 ASN 32 -10.637 1.343 4.758 274 H SER 33 H SER 33 -5.929 -0.450 0.943 275 HA SER 33 HA SER 33 -7.291 -2.703 0.014 276 1HB SER 33 2HB SER 33 -4.543 -1.823 -0.839 277 2HB SER 33 1HB SER 33 -5.739 -2.709 -1.781 278 HG SER 33 HG SER 33 -5.514 -0.282 -2.010 279 H LEU 34 H LEU 34 -4.257 -2.411 1.788 280 HA LEU 34 HA LEU 34 -3.288 -5.047 1.461 281 1HB LEU 34 2HB LEU 34 -3.008 -3.702 4.135 282 2HB LEU 34 1HB LEU 34 -1.848 -4.697 3.266 283 HG LEU 34 HG LEU 34 -2.605 -1.836 2.726 284 1HD1 LEU 34 1HD1 LEU 34 -0.047 -1.652 2.868 285 2HD1 LEU 34 2HD1 LEU 34 -0.113 -3.251 3.603 286 3HD1 LEU 34 3HD1 LEU 34 -0.937 -1.895 4.372 287 1HD2 LEU 34 1HD2 LEU 34 -1.322 -3.857 0.952 288 2HD2 LEU 34 2HD2 LEU 34 -0.656 -2.225 0.950 289 3HD2 LEU 34 3HD2 LEU 34 -2.348 -2.488 0.528 290 H ARG 35 H ARG 35 -5.436 -3.707 3.953 291 HA ARG 35 HA ARG 35 -5.805 -6.212 5.295 292 1HB ARG 35 2HB ARG 35 -7.022 -5.021 6.835 293 2HB ARG 35 1HB ARG 35 -6.125 -3.708 6.090 294 1HG ARG 35 2HG ARG 35 -8.159 -3.519 4.488 295 2HG ARG 35 1HG ARG 35 -9.011 -4.455 5.702 296 1HD ARG 35 2HD ARG 35 -8.534 -2.783 7.397 297 2HD ARG 35 1HD ARG 35 -7.508 -1.885 6.279 298 HE ARG 35 HE ARG 35 -9.424 -0.985 5.316 299 1HH1 ARG 35 1HH1 ARG 35 -10.672 -1.486 8.083 300 2HH1 ARG 35 2HH1 ARG 35 -12.178 -2.215 7.636 301 1HH2 ARG 35 1HH2 ARG 35 -11.184 -2.889 4.387 302 2HH2 ARG 35 2HH2 ARG 35 -12.467 -3.009 5.544 303 H ASP 36 H ASP 36 -7.449 -4.467 2.764 304 HA ASP 36 HA ASP 36 -9.806 -6.065 2.653 305 1HB ASP 36 2HB ASP 36 -8.426 -4.379 0.534 306 2HB ASP 36 1HB ASP 36 -10.040 -5.063 0.377 307 H ASP 37 H ASP 37 -6.535 -6.399 1.676 308 HA ASP 37 HA ASP 37 -6.852 -9.135 0.907 309 1HB ASP 37 2HB ASP 37 -7.701 -7.804 -1.114 310 2HB ASP 37 1HB ASP 37 -6.033 -7.301 -1.343 311 HA PRO 38 HA PRO 38 -2.633 -8.080 2.340 312 1HB PRO 38 2HB PRO 38 -2.367 -10.786 3.285 313 2HB PRO 38 1HB PRO 38 -2.499 -9.294 4.227 314 1HG PRO 38 2HG PRO 38 -4.414 -11.289 4.037 315 2HG PRO 38 1HG PRO 38 -4.643 -9.655 4.664 316 1HD PRO 38 2HD PRO 38 -5.512 -10.796 2.079 317 2HD PRO 38 1HD PRO 38 -6.152 -9.399 2.973 318 H SER 39 H SER 39 -3.741 -10.924 0.587 319 HA SER 39 HA SER 39 -1.249 -11.856 -0.356 320 1HB SER 39 2HB SER 39 -3.404 -13.144 -0.444 321 2HB SER 39 1HB SER 39 -3.938 -12.080 -1.739 322 HG SER 39 HG SER 39 -1.980 -12.731 -2.854 323 H GLN 40 H GLN 40 -3.409 -9.307 -1.330 324 HA GLN 40 HA GLN 40 -1.890 -8.821 -3.773 325 1HB GLN 40 2HB GLN 40 -4.442 -7.604 -2.713 326 2HB GLN 40 1HB GLN 40 -3.654 -7.085 -4.202 327 1HG GLN 40 2HG GLN 40 -4.514 -9.941 -3.658 328 2HG GLN 40 1HG GLN 40 -5.487 -8.778 -4.554 329 1HE2 GLN 40 1HE2 GLN 40 -3.248 -11.237 -4.982 330 2HE2 GLN 40 2HE2 GLN 40 -2.652 -10.788 -6.507 331 H SER 41 H SER 41 -1.423 -8.064 -0.639 332 HA SER 41 HA SER 41 -1.076 -5.282 -0.536 333 1HB SER 41 2HB SER 41 0.437 -7.496 0.866 334 2HB SER 41 1HB SER 41 0.678 -5.797 1.227 335 HG SER 41 HG SER 41 -0.946 -7.075 2.480 336 H ALA 42 H ALA 42 0.818 -7.852 -1.877 337 HA ALA 42 HA ALA 42 3.159 -6.379 -2.492 338 1HB ALA 42 1HB ALA 42 2.048 -8.913 -3.691 339 2HB ALA 42 2HB ALA 42 3.141 -8.822 -2.308 340 3HB ALA 42 3HB ALA 42 3.696 -8.321 -3.907 341 H ASN 43 H ASN 43 0.150 -7.069 -4.149 342 HA ASN 43 HA ASN 43 0.881 -6.075 -6.739 343 1HB ASN 43 2HB ASN 43 -1.077 -7.622 -5.863 344 2HB ASN 43 1HB ASN 43 -1.882 -6.066 -5.671 345 1HD2 ASN 43 1HD2 ASN 43 -1.815 -4.636 -7.713 346 2HD2 ASN 43 2HD2 ASN 43 -1.952 -5.413 -9.216 347 H LEU 44 H LEU 44 -0.573 -4.951 -3.838 348 HA LEU 44 HA LEU 44 -1.731 -2.618 -4.803 349 1HB LEU 44 2HB LEU 44 -0.979 -3.561 -2.087 350 2HB LEU 44 1HB LEU 44 -1.800 -2.029 -2.337 351 HG LEU 44 HG LEU 44 -2.802 -4.540 -3.658 352 1HD1 LEU 44 1HD1 LEU 44 -4.523 -4.530 -1.725 353 2HD1 LEU 44 2HD1 LEU 44 -3.275 -3.672 -0.828 354 3HD1 LEU 44 3HD1 LEU 44 -2.958 -5.282 -1.461 355 1HD2 LEU 44 1HD2 LEU 44 -4.914 -3.259 -3.608 356 2HD2 LEU 44 2HD2 LEU 44 -3.626 -2.448 -4.497 357 3HD2 LEU 44 3HD2 LEU 44 -4.044 -1.917 -2.863 358 H LEU 45 H LEU 45 1.523 -3.083 -3.443 359 HA LEU 45 HA LEU 45 1.968 -0.221 -3.603 360 1HB LEU 45 2HB LEU 45 4.499 -1.529 -4.049 361 2HB LEU 45 1HB LEU 45 4.023 -0.480 -2.731 362 HG LEU 45 HG LEU 45 4.796 -2.558 -1.850 363 1HD1 LEU 45 1HD1 LEU 45 1.794 -2.386 -1.707 364 2HD1 LEU 45 2HD1 LEU 45 2.942 -1.562 -0.667 365 3HD1 LEU 45 3HD1 LEU 45 2.805 -3.319 -0.622 366 1HD2 LEU 45 1HD2 LEU 45 4.445 -4.541 -2.832 367 2HD2 LEU 45 2HD2 LEU 45 3.861 -3.588 -4.202 368 3HD2 LEU 45 3HD2 LEU 45 2.725 -4.239 -3.025 369 H ALA 46 H ALA 46 2.090 -2.997 -5.640 370 HA ALA 46 HA ALA 46 3.549 -1.971 -7.830 371 1HB ALA 46 1HB ALA 46 1.179 -3.604 -8.483 372 2HB ALA 46 2HB ALA 46 2.242 -4.329 -7.278 373 3HB ALA 46 3HB ALA 46 2.878 -3.895 -8.867 374 H GLU 47 H GLU 47 0.175 -1.907 -6.908 375 HA GLU 47 HA GLU 47 -0.884 -0.391 -9.052 376 1HB GLU 47 2HB GLU 47 -1.643 -1.318 -6.327 377 2HB GLU 47 1HB GLU 47 -2.546 0.053 -6.981 378 1HG GLU 47 2HG GLU 47 -3.402 -1.194 -8.762 379 2HG GLU 47 1HG GLU 47 -2.126 -2.409 -8.657 380 H ALA 48 H ALA 48 0.080 0.267 -5.783 381 HA ALA 48 HA ALA 48 -0.383 2.996 -5.618 382 1HB ALA 48 1HB ALA 48 0.697 2.897 -3.608 383 2HB ALA 48 2HB ALA 48 1.925 1.779 -4.210 384 3HB ALA 48 3HB ALA 48 0.305 1.202 -3.844 385 H LYS 49 H LYS 49 2.556 1.247 -6.464 386 HA LYS 49 HA LYS 49 4.162 3.548 -6.915 387 1HB LYS 49 2HB LYS 49 4.350 0.691 -7.912 388 2HB LYS 49 1HB LYS 49 5.560 1.918 -8.295 389 1HG LYS 49 2HG LYS 49 6.046 2.268 -5.942 390 2HG LYS 49 1HG LYS 49 4.730 1.206 -5.459 391 1HD LYS 49 2HD LYS 49 5.917 -0.669 -6.690 392 2HD LYS 49 1HD LYS 49 7.285 0.426 -6.893 393 1HE LYS 49 2HE LYS 49 7.469 0.674 -4.446 394 2HE LYS 49 1HE LYS 49 6.079 -0.388 -4.225 395 1HZ LYS 49 1HZ LYS 49 8.697 -1.107 -5.420 396 2HZ LYS 49 2HZ LYS 49 7.341 -2.129 -5.410 397 3HZ LYS 49 3HZ LYS 49 8.061 -1.656 -3.946 398 H LYS 50 H LYS 50 1.884 1.681 -8.875 399 HA LYS 50 HA LYS 50 2.457 3.066 -11.334 400 1HB LYS 50 2HB LYS 50 0.283 1.213 -10.381 401 2HB LYS 50 1HB LYS 50 0.085 2.103 -11.893 402 1HG LYS 50 2HG LYS 50 2.360 1.207 -12.592 403 2HG LYS 50 1HG LYS 50 2.300 0.154 -11.185 404 1HD LYS 50 2HD LYS 50 0.141 0.224 -13.311 405 2HD LYS 50 1HD LYS 50 1.492 -0.904 -13.341 406 1HE LYS 50 2HE LYS 50 -0.480 -0.673 -11.046 407 2HE LYS 50 1HE LYS 50 -0.588 -1.873 -12.329 408 1HZ LYS 50 1HZ LYS 50 0.538 -2.711 -10.334 409 2HZ LYS 50 2HZ LYS 50 1.748 -1.535 -10.528 410 3HZ LYS 50 3HZ LYS 50 1.541 -2.746 -11.701 411 H LEU 51 H LEU 51 0.351 3.458 -8.598 412 HA LEU 51 HA LEU 51 -1.370 5.506 -9.575 413 1HB LEU 51 2HB LEU 51 -0.698 4.203 -7.033 414 2HB LEU 51 1HB LEU 51 -1.219 5.846 -6.878 415 HG LEU 51 HG LEU 51 -3.053 4.222 -6.655 416 1HD1 LEU 51 1HD1 LEU 51 -4.615 5.428 -8.071 417 2HD1 LEU 51 2HD1 LEU 51 -3.293 6.016 -9.078 418 3HD1 LEU 51 3HD1 LEU 51 -3.427 6.552 -7.394 419 1HD2 LEU 51 1HD2 LEU 51 -2.049 3.413 -9.360 420 2HD2 LEU 51 2HD2 LEU 51 -3.782 3.304 -9.048 421 3HD2 LEU 51 3HD2 LEU 51 -2.641 2.411 -8.033 422 H ASN 52 H ASN 52 1.560 5.395 -7.687 423 HA ASN 52 HA ASN 52 1.865 8.083 -7.021 424 1HB ASN 52 2HB ASN 52 3.089 6.104 -6.077 425 2HB ASN 52 1HB ASN 52 4.005 6.007 -7.573 426 1HD2 ASN 52 1HD2 ASN 52 5.644 7.627 -7.956 427 2HD2 ASN 52 2HD2 ASN 52 6.150 8.690 -6.732 428 H ASP 53 H ASP 53 3.077 6.152 -9.665 429 HA ASP 53 HA ASP 53 4.345 8.254 -11.045 430 1HB ASP 53 2HB ASP 53 3.487 5.504 -11.932 431 2HB ASP 53 1HB ASP 53 4.534 6.571 -12.864 432 H ALA 54 H ALA 54 1.201 6.679 -11.282 433 HA ALA 54 HA ALA 54 0.397 7.860 -13.757 434 1HB ALA 54 1HB ALA 54 -1.848 7.051 -13.071 435 2HB ALA 54 2HB ALA 54 -1.160 6.631 -11.501 436 3HB ALA 54 3HB ALA 54 -0.595 5.814 -12.965 437 H GLN 55 H GLN 55 -0.285 8.692 -10.371 438 HA GLN 55 HA GLN 55 -2.136 10.780 -11.127 439 1HB GLN 55 2HB GLN 55 -0.885 9.975 -8.504 440 2HB GLN 55 1HB GLN 55 -2.004 11.318 -8.676 441 1HG GLN 55 2HG GLN 55 -3.696 9.732 -9.608 442 2HG GLN 55 1HG GLN 55 -2.575 8.407 -9.281 443 1HE2 GLN 55 1HE2 GLN 55 -1.976 10.641 -6.882 444 2HE2 GLN 55 2HE2 GLN 55 -3.024 10.024 -5.689 445 H ALA 56 H ALA 56 1.019 10.541 -9.629 446 HA ALA 56 HA ALA 56 2.581 12.166 -9.100 447 1HB ALA 56 1HB ALA 56 3.416 13.375 -11.037 448 2HB ALA 56 2HB ALA 56 1.916 13.063 -11.913 449 3HB ALA 56 3HB ALA 56 2.996 11.729 -11.508 450 HA PRO 57 HA PRO 57 -0.856 15.263 -8.387 451 1HB PRO 57 2HB PRO 57 -0.717 14.768 -5.543 452 2HB PRO 57 1HB PRO 57 -2.058 14.481 -6.662 453 1HG PRO 57 2HG PRO 57 -0.596 12.517 -5.439 454 2HG PRO 57 1HG PRO 57 -1.531 12.320 -6.921 455 1HD PRO 57 2HD PRO 57 1.422 12.684 -6.612 456 2HD PRO 57 1HD PRO 57 0.527 11.694 -7.779 457 H LYS 58 H LYS 58 0.698 16.840 -9.002 458 HA LYS 58 HA LYS 58 2.780 17.710 -7.211 459 1HB LYS 58 2HB LYS 58 1.658 18.959 -9.736 460 2HB LYS 58 1HB LYS 58 3.095 19.524 -8.884 461 1HG LYS 58 2HG LYS 58 4.120 17.266 -9.186 462 2HG LYS 58 1HG LYS 58 2.711 16.785 -10.132 463 1HD LYS 58 2HD LYS 58 3.179 18.687 -11.701 464 2HD LYS 58 1HD LYS 58 4.664 19.007 -10.804 465 1HE LYS 58 2HE LYS 58 3.993 16.376 -12.163 466 2HE LYS 58 1HE LYS 58 5.075 17.605 -12.818 467 1HZ LYS 58 1HZ LYS 58 6.334 17.381 -10.658 468 2HZ LYS 58 2HZ LYS 58 6.446 16.069 -11.731 469 3HZ LYS 58 3HZ LYS 58 5.430 15.975 -10.373 Start of MODEL 7 1 1H VAL 1 1HT VAL 1 0.426 -14.440 16.852 2 2H VAL 1 2HT VAL 1 1.642 -13.272 17.051 3 3H VAL 1 3HT VAL 1 1.981 -14.723 16.236 4 HA VAL 1 HA VAL 1 0.328 -12.447 15.328 5 HB VAL 1 HB VAL 1 2.609 -13.971 14.009 6 1HG1 VAL 1 1HG1 VAL 1 1.097 -11.436 13.301 7 2HG1 VAL 1 2HG1 VAL 1 1.233 -12.910 12.343 8 3HG1 VAL 1 3HG1 VAL 1 2.639 -11.873 12.565 9 1HG2 VAL 1 1HG2 VAL 1 3.496 -12.811 15.942 10 2HG2 VAL 1 2HG2 VAL 1 2.575 -11.357 15.556 11 3HG2 VAL 1 3HG2 VAL 1 3.909 -11.859 14.517 12 H ASP 2 H ASP 2 -1.581 -13.844 15.578 13 HA ASP 2 HA ASP 2 -1.957 -16.289 14.228 14 1HB ASP 2 2HB ASP 2 -4.008 -14.153 14.884 15 2HB ASP 2 1HB ASP 2 -4.356 -15.836 14.496 16 H ASN 3 H ASN 3 -2.433 -12.939 13.217 17 HA ASN 3 HA ASN 3 -3.085 -13.829 10.475 18 1HB ASN 3 2HB ASN 3 -3.458 -11.151 11.844 19 2HB ASN 3 1HB ASN 3 -3.833 -11.473 10.152 20 1HD2 ASN 3 1HD2 ASN 3 -5.010 -11.789 13.407 21 2HD2 ASN 3 2HD2 ASN 3 -6.436 -12.624 13.027 22 H LYS 4 H LYS 4 -1.601 -13.626 8.932 23 HA LYS 4 HA LYS 4 0.953 -12.404 9.537 24 1HB LYS 4 2HB LYS 4 0.061 -13.694 6.953 25 2HB LYS 4 1HB LYS 4 1.718 -13.360 7.449 26 1HG LYS 4 2HG LYS 4 -0.187 -15.267 8.859 27 2HG LYS 4 1HG LYS 4 1.138 -15.744 7.799 28 1HD LYS 4 2HD LYS 4 2.737 -14.593 9.350 29 2HD LYS 4 1HD LYS 4 1.390 -14.264 10.438 30 1HE LYS 4 2HE LYS 4 0.972 -16.850 10.283 31 2HE LYS 4 1HE LYS 4 2.651 -16.904 9.745 32 1HZ LYS 4 1HZ LYS 4 2.552 -17.152 12.117 33 2HZ LYS 4 2HZ LYS 4 1.643 -15.725 12.277 34 3HZ LYS 4 3HZ LYS 4 3.257 -15.653 11.753 35 H PHE 5 H PHE 5 -1.825 -11.110 8.761 36 HA PHE 5 HA PHE 5 -1.598 -9.540 6.488 37 1HB PHE 5 2HB PHE 5 -2.879 -9.114 9.179 38 2HB PHE 5 1HB PHE 5 -2.899 -7.849 7.963 39 HD1 PHE 5 1HD PHE 5 -3.217 -11.581 7.588 40 HD2 PHE 5 2HD PHE 5 -5.079 -7.714 7.200 41 HE1 PHE 5 1HE PHE 5 -5.209 -12.622 6.519 42 HE2 PHE 5 2HE PHE 5 -7.050 -8.759 6.139 43 HZ PHE 5 HZ PHE 5 -7.116 -11.198 5.793 44 H ASN 6 H ASN 6 -0.798 -8.586 9.833 45 HA ASN 6 HA ASN 6 0.155 -6.050 9.308 46 1HB ASN 6 2HB ASN 6 1.103 -7.964 11.434 47 2HB ASN 6 1HB ASN 6 1.363 -6.223 11.433 48 1HD2 ASN 6 1HD2 ASN 6 -0.408 -8.221 13.132 49 2HD2 ASN 6 2HD2 ASN 6 -1.900 -7.412 13.204 50 H LYS 7 H LYS 7 2.033 -9.072 9.449 51 HA LYS 7 HA LYS 7 4.566 -7.963 8.974 52 1HB LYS 7 2HB LYS 7 4.101 -10.239 9.772 53 2HB LYS 7 1HB LYS 7 3.510 -10.666 8.175 54 1HG LYS 7 2HG LYS 7 6.263 -9.479 8.479 55 2HG LYS 7 1HG LYS 7 6.013 -11.185 8.842 56 1HD LYS 7 2HD LYS 7 5.364 -9.811 6.225 57 2HD LYS 7 1HD LYS 7 6.713 -10.897 6.506 58 1HE LYS 7 2HE LYS 7 5.329 -12.552 5.806 59 2HE LYS 7 1HE LYS 7 4.528 -12.383 7.367 60 1HZ LYS 7 1HZ LYS 7 2.820 -11.211 6.473 61 2HZ LYS 7 2HZ LYS 7 3.229 -12.133 5.106 62 3HZ LYS 7 3HZ LYS 7 3.765 -10.527 5.242 63 H GLU 8 H GLU 8 2.058 -9.085 6.745 64 HA GLU 8 HA GLU 8 3.578 -8.596 4.350 65 1HB GLU 8 2HB GLU 8 1.278 -9.961 4.964 66 2HB GLU 8 1HB GLU 8 0.610 -8.492 4.258 67 1HG GLU 8 2HG GLU 8 0.888 -9.923 2.418 68 2HG GLU 8 1HG GLU 8 2.305 -8.878 2.346 69 H ARG 9 H ARG 9 1.320 -6.852 6.332 70 HA ARG 9 HA ARG 9 0.929 -4.637 4.632 71 1HB ARG 9 2HB ARG 9 0.303 -5.184 7.516 72 2HB ARG 9 1HB ARG 9 -0.023 -3.619 6.774 73 1HG ARG 9 2HG ARG 9 -1.504 -4.554 5.191 74 2HG ARG 9 1HG ARG 9 -0.970 -6.193 5.499 75 1HD ARG 9 2HD ARG 9 -3.058 -6.037 6.577 76 2HD ARG 9 1HD ARG 9 -1.888 -5.848 7.881 77 HE ARG 9 HE ARG 9 -3.743 -3.848 6.925 78 1HH1 ARG 9 1HH2 ARG 9 -2.169 -4.525 9.659 79 2HH1 ARG 9 2HH2 ARG 9 -1.489 -2.960 9.951 80 1HH2 ARG 9 1HH1 ARG 9 -2.217 -1.765 6.781 81 2HH2 ARG 9 2HH1 ARG 9 -1.516 -1.398 8.321 82 H VAL 10 H VAL 10 3.263 -5.336 7.173 83 HA VAL 10 HA VAL 10 4.141 -2.693 7.646 84 HB VAL 10 HB VAL 10 5.957 -5.115 7.658 85 1HG1 VAL 10 1HG1 VAL 10 7.395 -3.832 9.005 86 2HG1 VAL 10 2HG1 VAL 10 6.117 -2.711 9.474 87 3HG1 VAL 10 3HG1 VAL 10 6.794 -2.642 7.842 88 1HG2 VAL 10 1HG2 VAL 10 3.731 -4.462 9.464 89 2HG2 VAL 10 2HG2 VAL 10 5.267 -4.691 10.295 90 3HG2 VAL 10 3HG2 VAL 10 4.629 -5.972 9.263 91 H ILE 11 H ILE 11 5.186 -5.249 5.579 92 HA ILE 11 HA ILE 11 7.286 -3.995 4.252 93 HB ILE 11 HB ILE 11 5.363 -6.152 3.350 94 1HG1 ILE 11 2HG1 ILE 11 8.110 -6.491 4.587 95 2HG1 ILE 11 1HG1 ILE 11 6.628 -6.514 5.549 96 1HG2 ILE 11 1HG2 ILE 11 8.179 -5.609 2.387 97 2HG2 ILE 11 2HG2 ILE 11 6.724 -5.097 1.525 98 3HG2 ILE 11 3HG2 ILE 11 7.047 -6.821 1.777 99 1HD1 ILE 11 1HD1 ILE 11 5.812 -8.454 4.436 100 2HD1 ILE 11 2HD1 ILE 11 7.519 -8.792 4.727 101 3HD1 ILE 11 3HD1 ILE 11 6.981 -8.291 3.121 102 H ALA 12 H ALA 12 3.907 -4.443 3.440 103 HA ALA 12 HA ALA 12 3.949 -3.027 0.994 104 1HB ALA 12 1HB ALA 12 1.400 -3.130 1.490 105 2HB ALA 12 2HB ALA 12 1.913 -4.169 2.836 106 3HB ALA 12 3HB ALA 12 2.316 -4.601 1.164 107 H ILE 13 H ILE 13 2.702 -2.100 4.232 108 HA ILE 13 HA ILE 13 1.746 0.428 3.447 109 HB ILE 13 HB ILE 13 1.246 -0.755 5.644 110 1HG1 ILE 13 2HG1 ILE 13 1.891 2.088 5.205 111 2HG1 ILE 13 1HG1 ILE 13 0.422 1.360 5.831 112 1HG2 ILE 13 1HG2 ILE 13 3.844 0.442 6.635 113 2HG2 ILE 13 2HG2 ILE 13 3.779 -1.197 6.023 114 3HG2 ILE 13 3HG2 ILE 13 2.812 -0.755 7.418 115 1HD1 ILE 13 1HD1 ILE 13 1.675 0.963 7.994 116 2HD1 ILE 13 2HD1 ILE 13 1.380 2.660 7.608 117 3HD1 ILE 13 3HD1 ILE 13 2.976 1.955 7.330 118 H GLY 14 H GLY 14 4.816 -0.813 4.507 119 1HA GLY 14 2HA GLY 14 6.193 1.617 4.749 120 2HA GLY 14 1HA GLY 14 6.927 0.018 4.537 121 H GLU 15 H GLU 15 5.544 -0.646 2.069 122 HA GLU 15 HA GLU 15 7.286 0.616 0.192 123 1HB GLU 15 2HB GLU 15 4.879 -1.179 -0.123 124 2HB GLU 15 1HB GLU 15 5.835 -0.615 -1.487 125 1HG GLU 15 2HG GLU 15 7.438 -1.809 0.674 126 2HG GLU 15 1HG GLU 15 6.289 -2.930 -0.068 127 H ILE 16 H ILE 16 3.807 0.718 0.794 128 HA ILE 16 HA ILE 16 3.256 2.567 -1.232 129 HB ILE 16 HB ILE 16 1.683 1.367 0.992 130 1HG1 ILE 16 2HG1 ILE 16 1.332 1.332 -2.003 131 2HG1 ILE 16 1HG1 ILE 16 2.433 0.246 -1.181 132 1HG2 ILE 16 1HG2 ILE 16 0.121 2.889 -1.021 133 2HG2 ILE 16 2HG2 ILE 16 1.003 3.907 0.119 134 3HG2 ILE 16 3HG2 ILE 16 -0.132 2.706 0.724 135 1HD1 ILE 16 1HD1 ILE 16 0.002 0.113 0.231 136 2HD1 ILE 16 2HD1 ILE 16 0.706 -1.122 -0.810 137 3HD1 ILE 16 3HD1 ILE 16 -0.405 0.065 -1.487 138 H MET 17 H MET 17 3.850 2.944 2.202 139 HA MET 17 HA MET 17 3.075 5.676 2.367 140 1HB MET 17 2HB MET 17 4.849 3.931 4.094 141 2HB MET 17 1HB MET 17 4.515 5.626 4.477 142 1HG MET 17 2HG MET 17 2.343 3.565 4.002 143 2HG MET 17 1HG MET 17 2.960 3.962 5.602 144 1HE MET 17 1HE MET 17 0.014 4.267 3.687 145 2HE MET 17 2HE MET 17 -0.735 5.420 4.792 146 3HE MET 17 3HE MET 17 0.141 4.032 5.434 147 H ARG 18 H ARG 18 5.828 4.087 1.047 148 HA ARG 18 HA ARG 18 7.770 6.159 1.269 149 1HB ARG 18 2HB ARG 18 8.336 3.808 0.815 150 2HB ARG 18 1HB ARG 18 7.460 3.886 -0.706 151 1HG ARG 18 2HG ARG 18 9.027 5.729 -1.426 152 2HG ARG 18 1HG ARG 18 9.983 5.388 0.021 153 1HD ARG 18 2HD ARG 18 9.289 3.411 -2.162 154 2HD ARG 18 1HD ARG 18 10.864 4.167 -1.934 155 HE ARG 18 HE ARG 18 10.745 2.997 0.374 156 1HH1 ARG 18 1HH1 ARG 18 8.306 1.756 -1.518 157 2HH1 ARG 18 2HH1 ARG 18 8.864 0.116 -1.513 158 1HH2 ARG 18 1HH2 ARG 18 11.916 0.876 -0.073 159 2HH2 ARG 18 2HH2 ARG 18 10.901 -0.380 -0.700 160 H LEU 19 H LEU 19 5.230 5.345 -0.992 161 HA LEU 19 HA LEU 19 5.826 6.723 -3.250 162 1HB LEU 19 2HB LEU 19 3.098 6.567 -1.973 163 2HB LEU 19 1HB LEU 19 3.466 6.734 -3.693 164 HG LEU 19 HG LEU 19 4.319 4.383 -1.969 165 1HD1 LEU 19 1HD1 LEU 19 2.272 4.309 -4.176 166 2HD1 LEU 19 2HD1 LEU 19 1.824 4.563 -2.488 167 3HD1 LEU 19 3HD1 LEU 19 2.631 3.073 -2.965 168 1HD2 LEU 19 1HD2 LEU 19 5.898 4.316 -3.580 169 2HD2 LEU 19 2HD2 LEU 19 4.949 5.294 -4.711 170 3HD2 LEU 19 3HD2 LEU 19 4.605 3.568 -4.525 171 HA PRO 20 HA PRO 20 6.048 10.883 -1.482 172 1HB PRO 20 2HB PRO 20 7.341 11.774 -3.889 173 2HB PRO 20 1HB PRO 20 8.065 11.469 -2.305 174 1HG PRO 20 2HG PRO 20 8.479 9.994 -4.623 175 2HG PRO 20 1HG PRO 20 8.911 9.505 -2.975 176 1HD PRO 20 2HD PRO 20 6.646 8.618 -4.670 177 2HD PRO 20 1HD PRO 20 7.465 7.779 -3.335 178 H ASN 21 H ASN 21 4.460 9.846 -4.406 179 HA ASN 21 HA ASN 21 3.562 12.588 -5.001 180 1HB ASN 21 2HB ASN 21 2.885 10.029 -6.484 181 2HB ASN 21 1HB ASN 21 2.586 11.671 -7.016 182 1HD2 ASN 21 1HD2 ASN 21 4.502 9.431 -8.034 183 2HD2 ASN 21 2HD2 ASN 21 5.990 10.236 -8.185 184 H LEU 22 H LEU 22 1.892 9.477 -4.636 185 HA LEU 22 HA LEU 22 -0.701 10.152 -4.444 186 1HB LEU 22 2HB LEU 22 0.782 8.313 -2.566 187 2HB LEU 22 1HB LEU 22 -0.973 8.332 -2.777 188 HG LEU 22 HG LEU 22 0.801 8.048 -5.183 189 1HD1 LEU 22 1HD1 LEU 22 0.862 5.656 -4.881 190 2HD1 LEU 22 2HD1 LEU 22 -0.096 5.770 -3.404 191 3HD1 LEU 22 3HD1 LEU 22 1.542 6.416 -3.448 192 1HD2 LEU 22 1HD2 LEU 22 -1.200 7.770 -6.159 193 2HD2 LEU 22 2HD2 LEU 22 -1.991 8.026 -4.591 194 3HD2 LEU 22 3HD2 LEU 22 -1.528 6.394 -5.087 195 H ASN 23 H ASN 23 -2.191 10.825 -2.926 196 HA ASN 23 HA ASN 23 -1.118 12.573 -0.826 197 1HB ASN 23 2HB ASN 23 -3.640 13.000 -0.452 198 2HB ASN 23 1HB ASN 23 -2.925 13.617 -1.937 199 1HD2 ASN 23 1HD2 ASN 23 -4.127 13.147 -3.767 200 2HD2 ASN 23 2HD2 ASN 23 -5.164 11.813 -3.937 201 H SER 24 H SER 24 -2.020 12.315 1.385 202 HA SER 24 HA SER 24 -1.421 9.837 2.407 203 1HB SER 24 2HB SER 24 -2.628 10.492 4.432 204 2HB SER 24 1HB SER 24 -1.582 11.775 3.824 205 HG SER 24 HG SER 24 -4.390 11.513 3.443 206 H LEU 25 H LEU 25 -4.556 10.967 1.241 207 HA LEU 25 HA LEU 25 -6.121 8.854 2.265 208 1HB LEU 25 2HB LEU 25 -6.537 10.324 -0.335 209 2HB LEU 25 1HB LEU 25 -7.748 9.488 0.625 210 HG LEU 25 HG LEU 25 -7.038 11.146 2.523 211 1HD1 LEU 25 1HD1 LEU 25 -5.645 12.224 0.138 212 2HD1 LEU 25 2HD1 LEU 25 -5.341 12.526 1.848 213 3HD1 LEU 25 3HD1 LEU 25 -6.622 13.401 1.013 214 1HD2 LEU 25 1HD2 LEU 25 -8.576 12.895 1.296 215 2HD2 LEU 25 2HD2 LEU 25 -9.227 11.310 1.724 216 3HD2 LEU 25 3HD2 LEU 25 -8.691 11.629 0.071 217 H GLN 26 H GLN 26 -4.547 9.239 -0.909 218 HA GLN 26 HA GLN 26 -5.352 6.739 -1.895 219 1HB GLN 26 2HB GLN 26 -3.097 8.549 -2.547 220 2HB GLN 26 1HB GLN 26 -3.385 7.057 -3.410 221 1HG GLN 26 2HG GLN 26 -5.476 7.768 -4.217 222 2HG GLN 26 1HG GLN 26 -5.620 9.027 -2.979 223 1HE2 GLN 26 1HE2 GLN 26 -5.908 9.369 -5.849 224 2HE2 GLN 26 2HE2 GLN 26 -4.705 10.458 -6.344 225 H VAL 27 H VAL 27 -2.508 7.930 -0.285 226 HA VAL 27 HA VAL 27 -0.925 5.640 -0.227 227 HB VAL 27 HB VAL 27 -1.254 8.070 1.529 228 1HG1 VAL 27 1HG1 VAL 27 1.171 7.187 2.290 229 2HG1 VAL 27 2HG1 VAL 27 0.320 5.649 2.131 230 3HG1 VAL 27 3HG1 VAL 27 -0.312 6.910 3.205 231 1HG2 VAL 27 1HG2 VAL 27 1.162 8.380 0.617 232 2HG2 VAL 27 2HG2 VAL 27 -0.187 8.651 -0.485 233 3HG2 VAL 27 3HG2 VAL 27 0.716 7.138 -0.552 234 H VAL 28 H VAL 28 -3.418 6.876 1.877 235 HA VAL 28 HA VAL 28 -3.305 4.707 3.736 236 HB VAL 28 HB VAL 28 -5.351 6.880 3.441 237 1HG1 VAL 28 1HG1 VAL 28 -4.830 4.794 5.598 238 2HG1 VAL 28 2HG1 VAL 28 -6.293 4.913 4.610 239 3HG1 VAL 28 3HG1 VAL 28 -5.921 6.168 5.793 240 1HG2 VAL 28 1HG2 VAL 28 -3.948 8.098 4.798 241 2HG2 VAL 28 2HG2 VAL 28 -2.705 7.016 4.146 242 3HG2 VAL 28 3HG2 VAL 28 -3.447 6.669 5.710 243 H ALA 29 H ALA 29 -5.124 5.480 0.940 244 HA ALA 29 HA ALA 29 -7.248 3.694 1.039 245 1HB ALA 29 1HB ALA 29 -7.363 4.016 -1.281 246 2HB ALA 29 2HB ALA 29 -5.608 4.192 -1.443 247 3HB ALA 29 3HB ALA 29 -6.570 5.489 -0.717 248 H PHE 30 H PHE 30 -3.902 3.387 0.117 249 HA PHE 30 HA PHE 30 -4.048 0.729 -0.753 250 1HB PHE 30 2HB PHE 30 -1.916 2.664 -0.030 251 2HB PHE 30 1HB PHE 30 -1.536 0.974 -0.257 252 HD1 PHE 30 1HD PHE 30 -2.075 4.041 -1.870 253 HD2 PHE 30 2HD PHE 30 -2.517 -0.182 -2.377 254 HE1 PHE 30 1HE PHE 30 -2.342 4.386 -4.245 255 HE2 PHE 30 2HE PHE 30 -2.691 0.138 -4.811 256 HZ PHE 30 HZ PHE 30 -2.634 2.422 -5.779 257 H ILE 31 H ILE 31 -3.325 2.368 2.343 258 HA ILE 31 HA ILE 31 -2.381 0.076 3.699 259 HB ILE 31 HB ILE 31 -4.224 2.183 4.889 260 1HG1 ILE 31 2HG1 ILE 31 -1.198 2.122 4.917 261 2HG1 ILE 31 1HG1 ILE 31 -2.147 3.142 3.842 262 1HG2 ILE 31 1HG2 ILE 31 -3.053 1.527 7.006 263 2HG2 ILE 31 2HG2 ILE 31 -2.250 0.232 6.121 264 3HG2 ILE 31 3HG2 ILE 31 -4.005 0.215 6.312 265 1HD1 ILE 31 1HD1 ILE 31 -2.396 4.652 5.503 266 2HD1 ILE 31 2HD1 ILE 31 -1.473 3.619 6.589 267 3HD1 ILE 31 3HD1 ILE 31 -3.222 3.437 6.469 268 H ASN 32 H ASN 32 -5.541 1.316 2.879 269 HA ASN 32 HA ASN 32 -7.136 -0.576 4.279 270 1HB ASN 32 2HB ASN 32 -7.649 1.741 3.006 271 2HB ASN 32 1HB ASN 32 -8.129 0.612 1.743 272 1HD2 ASN 32 1HD2 ASN 32 -9.006 1.913 4.870 273 2HD2 ASN 32 2HD2 ASN 32 -10.455 1.044 5.041 274 H SER 33 H SER 33 -5.866 -0.509 0.955 275 HA SER 33 HA SER 33 -7.281 -2.757 0.043 276 1HB SER 33 2HB SER 33 -4.569 -1.822 -0.875 277 2HB SER 33 1HB SER 33 -5.749 -2.761 -1.786 278 HG SER 33 HG SER 33 -6.194 -0.156 -0.747 279 H LEU 34 H LEU 34 -4.223 -2.413 1.758 280 HA LEU 34 HA LEU 34 -3.212 -5.032 1.426 281 1HB LEU 34 2HB LEU 34 -2.908 -3.657 4.082 282 2HB LEU 34 1HB LEU 34 -1.750 -4.650 3.206 283 HG LEU 34 HG LEU 34 -2.553 -1.808 2.641 284 1HD1 LEU 34 1HD1 LEU 34 -0.860 -1.777 4.242 285 2HD1 LEU 34 2HD1 LEU 34 0.028 -1.625 2.725 286 3HD1 LEU 34 3HD1 LEU 34 -0.053 -3.181 3.545 287 1HD2 LEU 34 1HD2 LEU 34 -1.302 -3.844 0.872 288 2HD2 LEU 34 2HD2 LEU 34 -0.616 -2.221 0.841 289 3HD2 LEU 34 3HD2 LEU 34 -2.316 -2.469 0.450 290 H ARG 35 H ARG 35 -5.331 -3.729 3.972 291 HA ARG 35 HA ARG 35 -5.626 -6.269 5.273 292 1HB ARG 35 2HB ARG 35 -7.369 -5.163 6.620 293 2HB ARG 35 1HB ARG 35 -5.874 -4.244 6.550 294 1HG ARG 35 2HG ARG 35 -6.828 -2.798 4.804 295 2HG ARG 35 1HG ARG 35 -8.344 -3.696 4.885 296 1HD ARG 35 2HD ARG 35 -8.496 -3.076 7.314 297 2HD ARG 35 1HD ARG 35 -7.068 -2.067 7.100 298 HE ARG 35 HE ARG 35 -8.358 -0.598 5.729 299 1HH1 ARG 35 1HH1 ARG 35 -10.260 -2.634 4.553 300 2HH1 ARG 35 2HH1 ARG 35 -11.753 -2.210 5.322 301 1HH2 ARG 35 1HH2 ARG 35 -10.246 -0.309 7.790 302 2HH2 ARG 35 2HH2 ARG 35 -11.745 -0.895 7.153 303 H ASP 36 H ASP 36 -7.373 -4.499 2.830 304 HA ASP 36 HA ASP 36 -9.705 -6.123 2.765 305 1HB ASP 36 2HB ASP 36 -8.369 -4.430 0.624 306 2HB ASP 36 1HB ASP 36 -9.952 -5.178 0.448 307 H ASP 37 H ASP 37 -6.442 -6.475 1.809 308 HA ASP 37 HA ASP 37 -6.736 -9.215 1.078 309 1HB ASP 37 2HB ASP 37 -7.661 -7.952 -0.953 310 2HB ASP 37 1HB ASP 37 -6.010 -7.429 -1.240 311 HA PRO 38 HA PRO 38 -2.479 -8.069 2.362 312 1HB PRO 38 2HB PRO 38 -2.147 -10.762 3.336 313 2HB PRO 38 1HB PRO 38 -2.281 -9.262 4.264 314 1HG PRO 38 2HG PRO 38 -4.165 -11.298 4.143 315 2HG PRO 38 1HG PRO 38 -4.405 -9.668 4.772 316 1HD PRO 38 2HD PRO 38 -5.341 -10.832 2.227 317 2HD PRO 38 1HD PRO 38 -5.963 -9.431 3.127 318 H SER 39 H SER 39 -3.646 -10.895 0.623 319 HA SER 39 HA SER 39 -1.176 -11.853 -0.372 320 1HB SER 39 2HB SER 39 -3.847 -12.035 -1.787 321 2HB SER 39 1HB SER 39 -2.473 -13.123 -1.936 322 HG SER 39 HG SER 39 -4.137 -12.701 0.324 323 H GLN 40 H GLN 40 -3.379 -9.317 -1.300 324 HA GLN 40 HA GLN 40 -1.928 -8.761 -3.757 325 1HB GLN 40 2HB GLN 40 -4.400 -7.554 -2.527 326 2HB GLN 40 1HB GLN 40 -3.648 -6.920 -3.989 327 1HG GLN 40 2HG GLN 40 -3.895 -9.117 -5.080 328 2HG GLN 40 1HG GLN 40 -4.640 -9.766 -3.624 329 1HE2 GLN 40 1HE2 GLN 40 -5.741 -9.296 -6.443 330 2HE2 GLN 40 2HE2 GLN 40 -7.164 -8.404 -6.190 331 H SER 41 H SER 41 -1.270 -8.144 -0.627 332 HA SER 41 HA SER 41 -0.838 -5.387 -0.402 333 1HB SER 41 2HB SER 41 0.768 -5.924 1.330 334 2HB SER 41 1HB SER 41 -0.522 -7.109 1.443 335 HG SER 41 HG SER 41 0.795 -8.624 0.741 336 H ALA 42 H ALA 42 0.855 -7.913 -2.026 337 HA ALA 42 HA ALA 42 3.236 -6.571 -2.751 338 1HB ALA 42 1HB ALA 42 1.839 -8.842 -4.152 339 2HB ALA 42 2HB ALA 42 2.850 -9.055 -2.715 340 3HB ALA 42 3HB ALA 42 3.563 -8.460 -4.216 341 H ASN 43 H ASN 43 0.146 -7.127 -4.287 342 HA ASN 43 HA ASN 43 0.746 -6.041 -6.854 343 1HB ASN 43 2HB ASN 43 -1.703 -6.703 -5.280 344 2HB ASN 43 1HB ASN 43 -1.803 -6.017 -6.899 345 1HD2 ASN 43 1HD2 ASN 43 -0.152 -7.319 -8.497 346 2HD2 ASN 43 2HD2 ASN 43 -0.281 -9.009 -8.389 347 H LEU 44 H LEU 44 -0.627 -4.928 -3.895 348 HA LEU 44 HA LEU 44 -1.791 -2.582 -4.824 349 1HB LEU 44 2HB LEU 44 -0.957 -3.509 -2.120 350 2HB LEU 44 1HB LEU 44 -1.842 -2.010 -2.373 351 HG LEU 44 HG LEU 44 -2.767 -4.583 -3.621 352 1HD1 LEU 44 1HD1 LEU 44 -3.378 -3.592 -0.847 353 2HD1 LEU 44 2HD1 LEU 44 -2.777 -5.174 -1.328 354 3HD1 LEU 44 3HD1 LEU 44 -4.427 -4.707 -1.717 355 1HD2 LEU 44 1HD2 LEU 44 -3.682 -2.576 -4.537 356 2HD2 LEU 44 2HD2 LEU 44 -4.080 -1.973 -2.920 357 3HD2 LEU 44 3HD2 LEU 44 -4.929 -3.375 -3.577 358 H LEU 45 H LEU 45 1.476 -3.063 -3.486 359 HA LEU 45 HA LEU 45 1.928 -0.205 -3.641 360 1HB LEU 45 2HB LEU 45 4.463 -1.488 -4.085 361 2HB LEU 45 1HB LEU 45 3.966 -0.481 -2.743 362 HG LEU 45 HG LEU 45 4.757 -2.588 -1.927 363 1HD1 LEU 45 1HD1 LEU 45 1.750 -2.495 -1.759 364 2HD1 LEU 45 2HD1 LEU 45 2.859 -1.558 -0.772 365 3HD1 LEU 45 3HD1 LEU 45 2.830 -3.316 -0.647 366 1HD2 LEU 45 1HD2 LEU 45 2.654 -4.200 -3.187 367 2HD2 LEU 45 2HD2 LEU 45 4.348 -4.572 -2.914 368 3HD2 LEU 45 3HD2 LEU 45 3.871 -3.570 -4.291 369 H ALA 46 H ALA 46 2.077 -2.959 -5.693 370 HA ALA 46 HA ALA 46 3.523 -1.901 -7.879 371 1HB ALA 46 1HB ALA 46 2.877 -3.821 -8.936 372 2HB ALA 46 2HB ALA 46 1.182 -3.588 -8.500 373 3HB ALA 46 3HB ALA 46 2.304 -4.286 -7.333 374 H GLU 47 H GLU 47 0.150 -1.892 -6.933 375 HA GLU 47 HA GLU 47 -0.936 -0.421 -9.108 376 1HB GLU 47 2HB GLU 47 -1.686 -1.352 -6.388 377 2HB GLU 47 1HB GLU 47 -2.575 0.050 -6.992 378 1HG GLU 47 2HG GLU 47 -3.541 -1.138 -8.730 379 2HG GLU 47 1HG GLU 47 -2.238 -2.325 -8.788 380 H ALA 48 H ALA 48 0.006 0.296 -5.845 381 HA ALA 48 HA ALA 48 -0.468 3.029 -5.727 382 1HB ALA 48 1HB ALA 48 0.193 1.262 -3.913 383 2HB ALA 48 2HB ALA 48 0.605 2.956 -3.698 384 3HB ALA 48 3HB ALA 48 1.825 1.813 -4.272 385 H LYS 49 H LYS 49 2.488 1.270 -6.520 386 HA LYS 49 HA LYS 49 4.107 3.550 -6.995 387 1HB LYS 49 2HB LYS 49 4.233 0.703 -8.026 388 2HB LYS 49 1HB LYS 49 5.438 1.918 -8.453 389 1HG LYS 49 2HG LYS 49 6.026 2.247 -6.119 390 2HG LYS 49 1HG LYS 49 4.722 1.194 -5.589 391 1HD LYS 49 2HD LYS 49 5.833 -0.679 -6.901 392 2HD LYS 49 1HD LYS 49 7.206 0.404 -7.137 393 1HE LYS 49 2HE LYS 49 7.464 0.613 -4.684 394 2HE LYS 49 1HE LYS 49 6.094 -0.470 -4.448 395 1HZ LYS 49 1HZ LYS 49 7.894 -1.876 -4.299 396 2HZ LYS 49 2HZ LYS 49 8.768 -1.079 -5.519 397 3HZ LYS 49 3HZ LYS 49 7.441 -2.060 -5.924 398 H LYS 50 H LYS 50 1.766 1.742 -8.908 399 HA LYS 50 HA LYS 50 2.290 3.095 -11.390 400 1HB LYS 50 2HB LYS 50 0.507 1.018 -10.438 401 2HB LYS 50 1HB LYS 50 -0.403 2.214 -11.353 402 1HG LYS 50 2HG LYS 50 0.321 0.733 -13.022 403 2HG LYS 50 1HG LYS 50 1.524 2.017 -13.097 404 1HD LYS 50 2HD LYS 50 2.922 0.165 -13.031 405 2HD LYS 50 1HD LYS 50 2.777 0.496 -11.307 406 1HE LYS 50 2HE LYS 50 2.354 -1.826 -11.479 407 2HE LYS 50 1HE LYS 50 0.745 -1.114 -11.367 408 1HZ LYS 50 1HZ LYS 50 0.702 -2.646 -13.145 409 2HZ LYS 50 2HZ LYS 50 2.147 -2.047 -13.806 410 3HZ LYS 50 3HZ LYS 50 0.734 -1.106 -13.854 411 H LEU 51 H LEU 51 0.132 3.532 -8.650 412 HA LEU 51 HA LEU 51 -1.479 5.649 -9.648 413 1HB LEU 51 2HB LEU 51 -0.802 4.492 -6.998 414 2HB LEU 51 1HB LEU 51 -1.468 6.094 -7.032 415 HG LEU 51 HG LEU 51 -3.114 4.237 -6.705 416 1HD1 LEU 51 1HD1 LEU 51 -4.707 5.249 -8.488 417 2HD1 LEU 51 2HD1 LEU 51 -3.352 6.323 -8.841 418 3HD1 LEU 51 3HD1 LEU 51 -4.056 6.296 -7.216 419 1HD2 LEU 51 1HD2 LEU 51 -2.639 2.476 -8.109 420 2HD2 LEU 51 2HD2 LEU 51 -2.113 3.522 -9.429 421 3HD2 LEU 51 3HD2 LEU 51 -3.831 3.315 -9.106 422 H ASN 52 H ASN 52 1.407 5.462 -7.691 423 HA ASN 52 HA ASN 52 1.780 8.151 -7.075 424 1HB ASN 52 2HB ASN 52 2.883 6.197 -5.982 425 2HB ASN 52 1HB ASN 52 3.835 5.949 -7.438 426 1HD2 ASN 52 1HD2 ASN 52 5.733 7.174 -7.666 427 2HD2 ASN 52 2HD2 ASN 52 6.204 8.396 -6.585 428 H ASP 53 H ASP 53 3.080 6.108 -9.599 429 HA ASP 53 HA ASP 53 4.513 8.134 -10.930 430 1HB ASP 53 2HB ASP 53 3.611 5.394 -11.803 431 2HB ASP 53 1HB ASP 53 4.718 6.409 -12.724 432 H ALA 54 H ALA 54 1.322 6.702 -11.316 433 HA ALA 54 HA ALA 54 0.738 7.862 -13.862 434 1HB ALA 54 1HB ALA 54 -1.018 6.751 -11.693 435 2HB ALA 54 2HB ALA 54 -0.412 5.890 -13.115 436 3HB ALA 54 3HB ALA 54 -1.590 7.190 -13.303 437 H GLN 55 H GLN 55 -0.081 8.826 -10.519 438 HA GLN 55 HA GLN 55 -1.737 11.008 -11.485 439 1HB GLN 55 2HB GLN 55 -0.752 10.203 -8.752 440 2HB GLN 55 1HB GLN 55 -1.880 11.515 -9.062 441 1HG GLN 55 2HG GLN 55 -3.491 9.967 -10.029 442 2HG GLN 55 1HG GLN 55 -2.350 8.631 -9.851 443 1HE2 GLN 55 1HE2 GLN 55 -1.880 10.681 -7.234 444 2HE2 GLN 55 2HE2 GLN 55 -2.873 9.865 -6.119 445 H ALA 56 H ALA 56 1.297 10.560 -9.801 446 HA ALA 56 HA ALA 56 2.942 12.074 -9.164 447 1HB ALA 56 1HB ALA 56 2.538 12.968 -12.030 448 2HB ALA 56 2HB ALA 56 3.452 11.540 -11.544 449 3HB ALA 56 3HB ALA 56 4.005 13.144 -11.066 450 HA PRO 57 HA PRO 57 -0.749 15.224 -8.588 451 1HB PRO 57 2HB PRO 57 0.380 15.427 -5.922 452 2HB PRO 57 1HB PRO 57 -1.200 14.785 -6.415 453 1HG PRO 57 2HG PRO 57 1.371 13.372 -6.000 454 2HG PRO 57 1HG PRO 57 -0.292 12.798 -5.744 455 1HD PRO 57 2HD PRO 57 0.998 11.877 -7.843 456 2HD PRO 57 1HD PRO 57 -0.640 12.500 -8.075 457 H LYS 58 H LYS 58 -0.127 17.018 -9.644 458 HA LYS 58 HA LYS 58 2.217 18.547 -8.661 459 1HB LYS 58 2HB LYS 58 1.153 18.068 -11.431 460 2HB LYS 58 1HB LYS 58 2.078 19.527 -11.077 461 1HG LYS 58 2HG LYS 58 4.042 18.368 -10.707 462 2HG LYS 58 1HG LYS 58 3.213 16.928 -10.130 463 1HD LYS 58 2HD LYS 58 4.290 16.568 -12.348 464 2HD LYS 58 1HD LYS 58 2.543 16.345 -12.410 465 1HE LYS 58 2HE LYS 58 3.420 17.690 -14.328 466 2HE LYS 58 1HE LYS 58 2.246 18.573 -13.356 467 1HZ LYS 58 1HZ LYS 58 5.160 18.772 -12.875 468 2HZ LYS 58 2HZ LYS 58 3.931 19.809 -12.328 469 3HZ LYS 58 3HZ LYS 58 4.359 19.788 -13.971 Start of MODEL 8 1 1H VAL 1 1HT VAL 1 6.376 -12.694 13.719 2 2H VAL 1 2HT VAL 1 7.948 -12.353 14.264 3 3H VAL 1 3HT VAL 1 7.070 -11.177 13.411 4 HA VAL 1 HA VAL 1 6.542 -12.201 16.141 5 HB VAL 1 HB VAL 1 7.104 -9.411 15.062 6 1HG1 VAL 1 1HG1 VAL 1 6.696 -10.476 17.876 7 2HG1 VAL 1 2HG1 VAL 1 5.693 -9.296 17.032 8 3HG1 VAL 1 3HG1 VAL 1 7.334 -8.873 17.515 9 1HG2 VAL 1 1HG2 VAL 1 9.243 -9.682 16.382 10 2HG2 VAL 1 2HG2 VAL 1 9.134 -10.735 14.973 11 3HG2 VAL 1 3HG2 VAL 1 8.838 -11.386 16.585 12 H ASP 2 H ASP 2 5.447 -9.726 13.811 13 HA ASP 2 HA ASP 2 2.783 -9.668 14.912 14 1HB ASP 2 2HB ASP 2 2.340 -8.021 13.147 15 2HB ASP 2 1HB ASP 2 3.818 -7.638 14.014 16 H ASN 3 H ASN 3 0.911 -9.739 13.221 17 HA ASN 3 HA ASN 3 0.672 -12.431 12.321 18 1HB ASN 3 2HB ASN 3 -1.079 -10.072 11.587 19 2HB ASN 3 1HB ASN 3 -1.519 -11.776 11.522 20 1HD2 ASN 3 1HD2 ASN 3 -0.598 -12.733 13.986 21 2HD2 ASN 3 2HD2 ASN 3 -1.394 -11.926 15.249 22 H LYS 4 H LYS 4 -0.052 -12.981 10.052 23 HA LYS 4 HA LYS 4 1.965 -12.430 8.176 24 1HB LYS 4 2HB LYS 4 -0.836 -13.306 7.566 25 2HB LYS 4 1HB LYS 4 0.567 -13.517 6.534 26 1HG LYS 4 2HG LYS 4 1.625 -14.926 8.314 27 2HG LYS 4 1HG LYS 4 0.128 -14.814 9.244 28 1HD LYS 4 2HD LYS 4 -1.103 -15.815 7.311 29 2HD LYS 4 1HD LYS 4 0.436 -16.019 6.473 30 1HE LYS 4 2HE LYS 4 -0.195 -17.219 9.189 31 2HE LYS 4 1HE LYS 4 -0.322 -18.092 7.662 32 1HZ LYS 4 1HZ LYS 4 2.139 -17.054 7.488 33 2HZ LYS 4 2HZ LYS 4 1.802 -18.612 8.073 34 3HZ LYS 4 3HZ LYS 4 2.030 -17.324 9.158 35 H PHE 5 H PHE 5 -1.199 -11.067 8.692 36 HA PHE 5 HA PHE 5 -1.392 -9.444 6.409 37 1HB PHE 5 2HB PHE 5 -2.511 -9.352 9.188 38 2HB PHE 5 1HB PHE 5 -2.696 -7.965 8.126 39 HD1 PHE 5 1HD PHE 5 -2.686 -11.629 7.307 40 HD2 PHE 5 2HD PHE 5 -4.935 -7.950 7.500 41 HE1 PHE 5 1HE PHE 5 -4.632 -12.722 6.181 42 HE2 PHE 5 2HE PHE 5 -6.845 -9.041 6.378 43 HZ PHE 5 HZ PHE 5 -6.696 -11.406 5.713 44 H ASN 6 H ASN 6 -0.423 -8.627 9.712 45 HA ASN 6 HA ASN 6 0.394 -6.008 9.218 46 1HB ASN 6 2HB ASN 6 1.479 -7.953 11.246 47 2HB ASN 6 1HB ASN 6 1.636 -6.200 11.307 48 1HD2 ASN 6 1HD2 ASN 6 -0.921 -5.308 10.694 49 2HD2 ASN 6 2HD2 ASN 6 -2.039 -5.897 11.827 50 H LYS 7 H LYS 7 2.272 -9.031 9.256 51 HA LYS 7 HA LYS 7 4.772 -7.916 8.745 52 1HB LYS 7 2HB LYS 7 4.377 -10.239 9.486 53 2HB LYS 7 1HB LYS 7 3.745 -10.623 7.893 54 1HG LYS 7 2HG LYS 7 5.978 -11.317 7.718 55 2HG LYS 7 1HG LYS 7 6.046 -9.699 7.028 56 1HD LYS 7 2HD LYS 7 6.512 -10.083 9.983 57 2HD LYS 7 1HD LYS 7 7.810 -10.418 8.845 58 1HE LYS 7 2HE LYS 7 8.274 -8.218 8.759 59 2HE LYS 7 1HE LYS 7 6.680 -7.924 8.072 60 1HZ LYS 7 1HZ LYS 7 6.731 -6.652 10.002 61 2HZ LYS 7 2HZ LYS 7 7.496 -7.867 10.910 62 3HZ LYS 7 3HZ LYS 7 5.866 -8.036 10.460 63 H GLU 8 H GLU 8 2.248 -9.107 6.532 64 HA GLU 8 HA GLU 8 3.787 -8.543 4.159 65 1HB GLU 8 2HB GLU 8 1.911 -10.188 4.304 66 2HB GLU 8 1HB GLU 8 0.787 -8.852 4.525 67 1HG GLU 8 2HG GLU 8 0.921 -9.662 2.160 68 2HG GLU 8 1HG GLU 8 1.308 -7.959 2.353 69 H ARG 9 H ARG 9 1.490 -6.836 6.132 70 HA ARG 9 HA ARG 9 1.087 -4.618 4.451 71 1HB ARG 9 2HB ARG 9 0.477 -5.198 7.330 72 2HB ARG 9 1HB ARG 9 0.217 -3.592 6.654 73 1HG ARG 9 2HG ARG 9 -1.305 -4.414 5.030 74 2HG ARG 9 1HG ARG 9 -0.881 -6.087 5.335 75 1HD ARG 9 2HD ARG 9 -3.048 -5.521 6.349 76 2HD ARG 9 1HD ARG 9 -1.863 -5.923 7.586 77 HE ARG 9 HE ARG 9 -2.083 -3.764 8.397 78 1HH1 ARG 9 1HH2 ARG 9 -1.283 -2.497 5.720 79 2HH1 ARG 9 2HH2 ARG 9 -2.651 -1.480 5.410 80 1HH2 ARG 9 1HH1 ARG 9 -4.664 -3.029 7.757 81 2HH2 ARG 9 2HH1 ARG 9 -4.559 -1.779 6.563 82 H VAL 10 H VAL 10 3.438 -5.330 6.972 83 HA VAL 10 HA VAL 10 4.324 -2.700 7.468 84 HB VAL 10 HB VAL 10 6.134 -5.132 7.426 85 1HG1 VAL 10 1HG1 VAL 10 6.368 -2.740 9.247 86 2HG1 VAL 10 2HG1 VAL 10 7.003 -2.665 7.601 87 3HG1 VAL 10 3HG1 VAL 10 7.620 -3.871 8.735 88 1HG2 VAL 10 1HG2 VAL 10 3.967 -4.449 9.291 89 2HG2 VAL 10 2HG2 VAL 10 5.523 -4.702 10.077 90 3HG2 VAL 10 3HG2 VAL 10 4.838 -5.969 9.062 91 H ILE 11 H ILE 11 5.364 -5.217 5.355 92 HA ILE 11 HA ILE 11 7.443 -3.932 4.034 93 HB ILE 11 HB ILE 11 5.523 -6.081 3.111 94 1HG1 ILE 11 2HG1 ILE 11 8.276 -6.434 4.333 95 2HG1 ILE 11 1HG1 ILE 11 6.799 -6.466 5.303 96 1HG2 ILE 11 1HG2 ILE 11 6.887 -4.986 1.303 97 2HG2 ILE 11 2HG2 ILE 11 7.184 -6.720 1.515 98 3HG2 ILE 11 3HG2 ILE 11 8.337 -5.540 2.149 99 1HD1 ILE 11 1HD1 ILE 11 7.743 -8.724 4.381 100 2HD1 ILE 11 2HD1 ILE 11 7.048 -8.201 2.844 101 3HD1 ILE 11 3HD1 ILE 11 6.007 -8.421 4.256 102 H ALA 12 H ALA 12 4.069 -4.397 3.202 103 HA ALA 12 HA ALA 12 4.097 -2.928 0.777 104 1HB ALA 12 1HB ALA 12 2.493 -4.537 0.924 105 2HB ALA 12 2HB ALA 12 1.559 -3.080 1.268 106 3HB ALA 12 3HB ALA 12 2.082 -4.137 2.603 107 H ILE 13 H ILE 13 2.799 -2.120 4.024 108 HA ILE 13 HA ILE 13 1.778 0.397 3.315 109 HB ILE 13 HB ILE 13 1.325 -0.882 5.481 110 1HG1 ILE 13 2HG1 ILE 13 1.825 2.001 5.108 111 2HG1 ILE 13 1HG1 ILE 13 0.384 1.182 5.686 112 1HG2 ILE 13 1HG2 ILE 13 2.879 -0.846 7.261 113 2HG2 ILE 13 2HG2 ILE 13 3.831 0.448 6.535 114 3HG2 ILE 13 3HG2 ILE 13 3.895 -1.168 5.867 115 1HD1 ILE 13 1HD1 ILE 13 1.234 2.482 7.516 116 2HD1 ILE 13 2HD1 ILE 13 2.873 1.876 7.248 117 3HD1 ILE 13 3HD1 ILE 13 1.619 0.794 7.863 118 H GLY 14 H GLY 14 4.884 -0.773 4.357 119 1HA GLY 14 2HA GLY 14 6.157 1.698 4.714 120 2HA GLY 14 1HA GLY 14 6.959 0.137 4.459 121 H GLU 15 H GLU 15 5.708 -0.535 1.945 122 HA GLU 15 HA GLU 15 7.404 0.876 0.147 123 1HB GLU 15 2HB GLU 15 5.017 -0.937 -0.303 124 2HB GLU 15 1HB GLU 15 6.055 -0.333 -1.591 125 1HG GLU 15 2HG GLU 15 7.633 -1.526 0.543 126 2HG GLU 15 1HG GLU 15 6.428 -2.664 -0.075 127 H ILE 16 H ILE 16 3.950 0.842 0.764 128 HA ILE 16 HA ILE 16 3.274 2.757 -1.177 129 HB ILE 16 HB ILE 16 1.807 1.428 1.066 130 1HG1 ILE 16 2HG1 ILE 16 1.704 1.309 -1.951 131 2HG1 ILE 16 1HG1 ILE 16 2.624 0.223 -0.939 132 1HG2 ILE 16 1HG2 ILE 16 0.158 2.790 -0.976 133 2HG2 ILE 16 2HG2 ILE 16 0.970 3.896 0.130 134 3HG2 ILE 16 3HG2 ILE 16 -0.087 2.640 0.772 135 1HD1 ILE 16 1HD1 ILE 16 -0.228 0.225 -1.589 136 2HD1 ILE 16 2HD1 ILE 16 0.101 0.031 0.146 137 3HD1 ILE 16 3HD1 ILE 16 0.815 -1.097 -1.028 138 H MET 17 H MET 17 3.808 3.037 2.290 139 HA MET 17 HA MET 17 2.949 5.733 2.525 140 1HB MET 17 2HB MET 17 4.749 3.977 4.210 141 2HB MET 17 1HB MET 17 4.392 5.656 4.645 142 1HG MET 17 2HG MET 17 2.249 3.589 4.083 143 2HG MET 17 1HG MET 17 2.849 3.937 5.701 144 1HE MET 17 1HE MET 17 -0.071 4.283 3.777 145 2HE MET 17 2HE MET 17 -0.845 5.408 4.895 146 3HE MET 17 3HE MET 17 0.029 4.011 5.520 147 H ARG 18 H ARG 18 5.835 4.264 1.306 148 HA ARG 18 HA ARG 18 7.633 6.456 1.588 149 1HB ARG 18 2HB ARG 18 8.347 4.124 1.244 150 2HB ARG 18 1HB ARG 18 7.591 4.122 -0.343 151 1HG ARG 18 2HG ARG 18 9.115 6.040 -0.974 152 2HG ARG 18 1HG ARG 18 9.964 5.776 0.552 153 1HD ARG 18 2HD ARG 18 9.539 3.679 -1.591 154 2HD ARG 18 1HD ARG 18 11.034 4.581 -1.355 155 HE ARG 18 HE ARG 18 11.302 3.442 0.777 156 1HH1 ARG 18 1HH2 ARG 18 10.372 1.520 -1.669 157 2HH1 ARG 18 2HH2 ARG 18 9.551 0.315 -0.734 158 1HH2 ARG 18 1HH1 ARG 18 9.544 2.202 2.169 159 2HH2 ARG 18 2HH1 ARG 18 9.085 0.701 1.436 160 H LEU 19 H LEU 19 5.300 5.418 -0.805 161 HA LEU 19 HA LEU 19 5.970 6.827 -3.052 162 1HB LEU 19 2HB LEU 19 3.171 6.453 -2.022 163 2HB LEU 19 1HB LEU 19 3.675 6.609 -3.705 164 HG LEU 19 HG LEU 19 4.468 4.360 -1.832 165 1HD1 LEU 19 1HD1 LEU 19 3.063 2.962 -3.274 166 2HD1 LEU 19 2HD1 LEU 19 2.565 4.394 -4.181 167 3HD1 LEU 19 3HD1 LEU 19 2.116 4.220 -2.483 168 1HD2 LEU 19 1HD2 LEU 19 6.250 4.566 -3.325 169 2HD2 LEU 19 2HD2 LEU 19 5.198 5.052 -4.667 170 3HD2 LEU 19 3HD2 LEU 19 5.213 3.375 -4.113 171 HA PRO 20 HA PRO 20 5.268 11.036 -1.445 172 1HB PRO 20 2HB PRO 20 6.972 12.034 -3.545 173 2HB PRO 20 1HB PRO 20 7.347 11.885 -1.822 174 1HG PRO 20 2HG PRO 20 8.533 10.434 -3.842 175 2HG PRO 20 1HG PRO 20 8.512 9.978 -2.129 176 1HD PRO 20 2HD PRO 20 6.815 8.961 -4.379 177 2HD PRO 20 1HD PRO 20 7.465 8.096 -2.968 178 H ASN 21 H ASN 21 4.502 9.501 -4.366 179 HA ASN 21 HA ASN 21 3.335 11.909 -5.581 180 1HB ASN 21 2HB ASN 21 3.952 9.183 -6.659 181 2HB ASN 21 1HB ASN 21 3.059 10.382 -7.573 182 1HD2 ASN 21 1HD2 ASN 21 5.931 9.211 -7.837 183 2HD2 ASN 21 2HD2 ASN 21 6.908 10.590 -7.971 184 H LEU 22 H LEU 22 2.188 10.408 -3.288 185 HA LEU 22 HA LEU 22 -0.526 10.038 -4.365 186 1HB LEU 22 2HB LEU 22 0.908 8.321 -2.325 187 2HB LEU 22 1HB LEU 22 -0.839 8.267 -2.594 188 HG LEU 22 HG LEU 22 1.121 7.891 -4.862 189 1HD1 LEU 22 1HD1 LEU 22 1.569 6.224 -3.082 190 2HD1 LEU 22 2HD1 LEU 22 0.893 5.487 -4.527 191 3HD1 LEU 22 3HD1 LEU 22 -0.124 5.751 -3.112 192 1HD2 LEU 22 1HD2 LEU 22 -0.793 7.763 -6.037 193 2HD2 LEU 22 2HD2 LEU 22 -1.725 8.045 -4.546 194 3HD2 LEU 22 3HD2 LEU 22 -1.294 6.396 -5.015 195 H ASN 23 H ASN 23 -2.199 10.627 -2.936 196 HA ASN 23 HA ASN 23 -1.344 12.531 -0.859 197 1HB ASN 23 2HB ASN 23 -4.052 12.568 -0.698 198 2HB ASN 23 1HB ASN 23 -3.138 13.596 -1.791 199 1HD2 ASN 23 1HD2 ASN 23 -3.009 12.927 -4.081 200 2HD2 ASN 23 2HD2 ASN 23 -4.162 11.856 -4.720 201 H SER 24 H SER 24 -2.320 12.285 1.311 202 HA SER 24 HA SER 24 -1.688 9.853 2.416 203 1HB SER 24 2HB SER 24 -3.028 10.499 4.363 204 2HB SER 24 1HB SER 24 -1.979 11.796 3.792 205 HG SER 24 HG SER 24 -4.757 11.461 3.280 206 H LEU 25 H LEU 25 -4.793 10.841 1.072 207 HA LEU 25 HA LEU 25 -6.336 8.704 2.074 208 1HB LEU 25 2HB LEU 25 -6.642 10.113 -0.577 209 2HB LEU 25 1HB LEU 25 -7.880 9.227 0.300 210 HG LEU 25 HG LEU 25 -7.354 10.935 2.230 211 1HD1 LEU 25 1HD1 LEU 25 -5.663 12.350 1.572 212 2HD1 LEU 25 2HD1 LEU 25 -6.989 13.203 0.786 213 3HD1 LEU 25 3HD1 LEU 25 -5.981 12.098 -0.145 214 1HD2 LEU 25 1HD2 LEU 25 -8.930 12.575 0.901 215 2HD2 LEU 25 2HD2 LEU 25 -9.509 10.962 1.331 216 3HD2 LEU 25 3HD2 LEU 25 -8.916 11.283 -0.302 217 H GLN 26 H GLN 26 -4.615 9.072 -1.029 218 HA GLN 26 HA GLN 26 -5.273 6.505 -1.969 219 1HB GLN 26 2HB GLN 26 -3.120 8.445 -2.592 220 2HB GLN 26 1HB GLN 26 -3.195 6.885 -3.384 221 1HG GLN 26 2HG GLN 26 -5.501 7.380 -4.124 222 2HG GLN 26 1HG GLN 26 -5.413 8.953 -3.313 223 1HE2 GLN 26 1HE2 GLN 26 -3.721 6.997 -5.793 224 2HE2 GLN 26 2HE2 GLN 26 -3.267 8.320 -6.748 225 H VAL 27 H VAL 27 -2.575 7.866 -0.252 226 HA VAL 27 HA VAL 27 -0.895 5.648 -0.094 227 HB VAL 27 HB VAL 27 -1.415 8.072 1.624 228 1HG1 VAL 27 1HG1 VAL 27 0.222 5.719 2.313 229 2HG1 VAL 27 2HG1 VAL 27 -0.523 6.947 3.352 230 3HG1 VAL 27 3HG1 VAL 27 0.996 7.292 2.521 231 1HG2 VAL 27 1HG2 VAL 27 0.688 7.212 -0.352 232 2HG2 VAL 27 2HG2 VAL 27 1.039 8.464 0.838 233 3HG2 VAL 27 3HG2 VAL 27 -0.263 8.697 -0.326 234 H VAL 28 H VAL 28 -3.525 6.808 1.887 235 HA VAL 28 HA VAL 28 -3.438 4.643 3.751 236 HB VAL 28 HB VAL 28 -5.557 6.728 3.363 237 1HG1 VAL 28 1HG1 VAL 28 -6.389 4.676 4.508 238 2HG1 VAL 28 2HG1 VAL 28 -6.204 5.995 5.671 239 3HG1 VAL 28 3HG1 VAL 28 -4.981 4.720 5.580 240 1HG2 VAL 28 1HG2 VAL 28 -2.933 6.983 4.170 241 2HG2 VAL 28 2HG2 VAL 28 -3.747 6.673 5.705 242 3HG2 VAL 28 3HG2 VAL 28 -4.245 8.044 4.707 243 H ALA 29 H ALA 29 -5.170 5.364 0.882 244 HA ALA 29 HA ALA 29 -7.266 3.550 0.920 245 1HB ALA 29 1HB ALA 29 -5.504 4.102 -1.473 246 2HB ALA 29 2HB ALA 29 -6.635 5.307 -0.838 247 3HB ALA 29 3HB ALA 29 -7.239 3.763 -1.440 248 H PHE 30 H PHE 30 -3.892 3.278 0.110 249 HA PHE 30 HA PHE 30 -4.002 0.604 -0.710 250 1HB PHE 30 2HB PHE 30 -1.866 2.544 0.048 251 2HB PHE 30 1HB PHE 30 -1.507 0.854 -0.271 252 HD1 PHE 30 1HD PHE 30 -2.792 -0.149 -2.373 253 HD2 PHE 30 2HD PHE 30 -1.799 3.980 -1.794 254 HE1 PHE 30 1HE PHE 30 -3.006 0.251 -4.779 255 HE2 PHE 30 2HE PHE 30 -2.082 4.386 -4.169 256 HZ PHE 30 HZ PHE 30 -2.678 2.524 -5.710 257 H ILE 31 H ILE 31 -3.277 2.314 2.353 258 HA ILE 31 HA ILE 31 -2.384 0.054 3.790 259 HB ILE 31 HB ILE 31 -4.272 2.177 4.881 260 1HG1 ILE 31 2HG1 ILE 31 -1.251 2.133 5.040 261 2HG1 ILE 31 1HG1 ILE 31 -2.160 3.139 3.917 262 1HG2 ILE 31 1HG2 ILE 31 -4.103 0.201 6.322 263 2HG2 ILE 31 2HG2 ILE 31 -3.253 1.556 7.063 264 3HG2 ILE 31 3HG2 ILE 31 -2.341 0.284 6.256 265 1HD1 ILE 31 1HD1 ILE 31 -3.320 3.439 6.525 266 2HD1 ILE 31 2HD1 ILE 31 -2.522 4.661 5.549 267 3HD1 ILE 31 3HD1 ILE 31 -1.580 3.676 6.664 268 H ASN 32 H ASN 32 -5.546 1.318 2.973 269 HA ASN 32 HA ASN 32 -7.111 -0.549 4.428 270 1HB ASN 32 2HB ASN 32 -7.570 1.437 2.234 271 2HB ASN 32 1HB ASN 32 -8.849 0.289 2.626 272 1HD2 ASN 32 1HD2 ASN 32 -6.500 2.054 4.727 273 2HD2 ASN 32 2HD2 ASN 32 -7.691 2.764 5.705 274 H SER 33 H SER 33 -6.018 -0.511 1.041 275 HA SER 33 HA SER 33 -7.504 -2.771 0.270 276 1HB SER 33 2HB SER 33 -4.880 -1.857 -0.888 277 2HB SER 33 1HB SER 33 -6.151 -2.787 -1.676 278 HG SER 33 HG SER 33 -6.404 -0.147 -0.662 279 H LEU 34 H LEU 34 -4.321 -2.400 1.745 280 HA LEU 34 HA LEU 34 -3.307 -5.000 1.357 281 1HB LEU 34 2HB LEU 34 -2.884 -3.685 4.021 282 2HB LEU 34 1HB LEU 34 -1.773 -4.670 3.083 283 HG LEU 34 HG LEU 34 -2.536 -1.803 2.667 284 1HD1 LEU 34 1HD1 LEU 34 -0.065 -3.287 3.398 285 2HD1 LEU 34 2HD1 LEU 34 -0.708 -1.786 4.058 286 3HD1 LEU 34 3HD1 LEU 34 0.091 -1.786 2.488 287 1HD2 LEU 34 1HD2 LEU 34 -0.933 -1.975 0.665 288 2HD2 LEU 34 2HD2 LEU 34 -2.561 -2.617 0.432 289 3HD2 LEU 34 3HD2 LEU 34 -1.218 -3.710 0.750 290 H ARG 35 H ARG 35 -5.340 -3.779 4.020 291 HA ARG 35 HA ARG 35 -5.481 -6.333 5.326 292 1HB ARG 35 2HB ARG 35 -6.726 -5.270 6.953 293 2HB ARG 35 1HB ARG 35 -5.878 -3.907 6.246 294 1HG ARG 35 2HG ARG 35 -7.926 -3.644 4.714 295 2HG ARG 35 1HG ARG 35 -8.747 -4.721 5.833 296 1HD ARG 35 2HD ARG 35 -8.076 -3.160 7.695 297 2HD ARG 35 1HD ARG 35 -7.476 -2.041 6.470 298 HE ARG 35 HE ARG 35 -10.299 -2.773 6.924 299 1HH1 ARG 35 1HH1 ARG 35 -9.687 -2.230 4.014 300 2HH1 ARG 35 2HH1 ARG 35 -10.018 -0.535 3.893 301 1HH2 ARG 35 1HH2 ARG 35 -9.949 -0.011 7.315 302 2HH2 ARG 35 2HH2 ARG 35 -10.162 0.722 5.762 303 H ASP 36 H ASP 36 -7.371 -4.635 2.951 304 HA ASP 36 HA ASP 36 -9.631 -6.367 2.942 305 1HB ASP 36 2HB ASP 36 -8.485 -4.511 0.825 306 2HB ASP 36 1HB ASP 36 -10.051 -5.310 0.706 307 H ASP 37 H ASP 37 -6.406 -6.511 1.806 308 HA ASP 37 HA ASP 37 -6.603 -9.233 0.984 309 1HB ASP 37 2HB ASP 37 -7.646 -7.894 -0.961 310 2HB ASP 37 1HB ASP 37 -6.009 -7.353 -1.293 311 HA PRO 38 HA PRO 38 -2.383 -7.826 2.205 312 1HB PRO 38 2HB PRO 38 -1.934 -10.448 3.309 313 2HB PRO 38 1HB PRO 38 -2.112 -8.908 4.161 314 1HG PRO 38 2HG PRO 38 -3.917 -11.026 4.153 315 2HG PRO 38 1HG PRO 38 -4.200 -9.388 4.747 316 1HD PRO 38 2HD PRO 38 -5.183 -10.665 2.284 317 2HD PRO 38 1HD PRO 38 -5.791 -9.226 3.129 318 H SER 39 H SER 39 -3.449 -10.824 0.689 319 HA SER 39 HA SER 39 -0.964 -11.703 -0.336 320 1HB SER 39 2HB SER 39 -3.062 -13.086 -0.255 321 2HB SER 39 1HB SER 39 -3.710 -12.102 -1.563 322 HG SER 39 HG SER 39 -1.856 -12.736 -2.793 323 H GLN 40 H GLN 40 -3.306 -9.329 -1.291 324 HA GLN 40 HA GLN 40 -1.894 -8.789 -3.792 325 1HB GLN 40 2HB GLN 40 -4.551 -7.831 -2.730 326 2HB GLN 40 1HB GLN 40 -3.835 -7.246 -4.227 327 1HG GLN 40 2HG GLN 40 -4.266 -10.190 -3.697 328 2HG GLN 40 1HG GLN 40 -5.499 -9.181 -4.451 329 1HE2 GLN 40 1HE2 GLN 40 -4.894 -8.126 -6.555 330 2HE2 GLN 40 2HE2 GLN 40 -3.697 -8.838 -7.526 331 H SER 41 H SER 41 -1.229 -8.014 -0.790 332 HA SER 41 HA SER 41 -1.288 -5.217 -0.554 333 1HB SER 41 2HB SER 41 0.499 -5.448 1.065 334 2HB SER 41 1HB SER 41 -0.502 -6.879 1.245 335 HG SER 41 HG SER 41 1.998 -6.934 0.884 336 H ALA 42 H ALA 42 0.964 -7.420 -2.071 337 HA ALA 42 HA ALA 42 2.844 -5.610 -3.018 338 1HB ALA 42 1HB ALA 42 3.176 -8.049 -2.882 339 2HB ALA 42 2HB ALA 42 3.533 -7.418 -4.491 340 3HB ALA 42 3HB ALA 42 2.007 -8.250 -4.186 341 H ASN 43 H ASN 43 -0.185 -6.779 -4.388 342 HA ASN 43 HA ASN 43 0.140 -5.678 -7.009 343 1HB ASN 43 2HB ASN 43 -1.445 -7.516 -6.259 344 2HB ASN 43 1HB ASN 43 -2.423 -6.236 -5.540 345 1HD2 ASN 43 1HD2 ASN 43 -1.009 -7.236 -8.699 346 2HD2 ASN 43 2HD2 ASN 43 -2.225 -6.515 -9.636 347 H LEU 44 H LEU 44 -1.205 -4.737 -4.000 348 HA LEU 44 HA LEU 44 -2.499 -2.338 -4.834 349 1HB LEU 44 2HB LEU 44 -1.630 -3.455 -2.195 350 2HB LEU 44 1HB LEU 44 -2.601 -2.005 -2.344 351 HG LEU 44 HG LEU 44 -3.369 -4.555 -3.710 352 1HD1 LEU 44 1HD1 LEU 44 -3.819 -3.762 -0.868 353 2HD1 LEU 44 2HD1 LEU 44 -3.519 -5.356 -1.552 354 3HD1 LEU 44 3HD1 LEU 44 -5.102 -4.611 -1.731 355 1HD2 LEU 44 1HD2 LEU 44 -4.367 -2.649 -4.610 356 2HD2 LEU 44 2HD2 LEU 44 -4.673 -1.961 -3.004 357 3HD2 LEU 44 3HD2 LEU 44 -5.594 -3.368 -3.558 358 H LEU 45 H LEU 45 0.447 -3.142 -3.204 359 HA LEU 45 HA LEU 45 1.421 -0.472 -3.075 360 1HB LEU 45 2HB LEU 45 2.917 -1.460 -1.714 361 2HB LEU 45 1HB LEU 45 2.086 -2.956 -2.001 362 HG LEU 45 HG LEU 45 3.549 -3.209 -4.049 363 1HD1 LEU 45 1HD1 LEU 45 4.880 -1.457 -4.540 364 2HD1 LEU 45 2HD1 LEU 45 5.717 -1.685 -3.010 365 3HD1 LEU 45 3HD1 LEU 45 4.309 -0.609 -3.096 366 1HD2 LEU 45 1HD2 LEU 45 5.311 -4.197 -2.685 367 2HD2 LEU 45 2HD2 LEU 45 3.772 -4.413 -1.841 368 3HD2 LEU 45 3HD2 LEU 45 4.890 -3.144 -1.332 369 H ALA 46 H ALA 46 1.447 -3.079 -5.332 370 HA ALA 46 HA ALA 46 3.349 -2.035 -7.210 371 1HB ALA 46 1HB ALA 46 0.966 -3.867 -7.552 372 2HB ALA 46 2HB ALA 46 2.663 -4.344 -7.476 373 3HB ALA 46 3HB ALA 46 2.054 -3.447 -8.867 374 H GLU 47 H GLU 47 -0.150 -1.836 -6.726 375 HA GLU 47 HA GLU 47 -0.734 -0.218 -8.976 376 1HB GLU 47 2HB GLU 47 -2.035 -1.172 -6.513 377 2HB GLU 47 1HB GLU 47 -2.596 0.415 -7.043 378 1HG GLU 47 2HG GLU 47 -2.690 -2.197 -8.555 379 2HG GLU 47 1HG GLU 47 -4.028 -1.145 -8.100 380 H ALA 48 H ALA 48 0.016 0.344 -5.643 381 HA ALA 48 HA ALA 48 -0.331 3.093 -5.490 382 1HB ALA 48 1HB ALA 48 1.847 1.667 -4.044 383 2HB ALA 48 2HB ALA 48 0.160 1.332 -3.672 384 3HB ALA 48 3HB ALA 48 0.796 2.961 -3.473 385 H LYS 49 H LYS 49 2.514 1.172 -6.348 386 HA LYS 49 HA LYS 49 4.231 3.412 -6.800 387 1HB LYS 49 2HB LYS 49 4.307 0.540 -7.756 388 2HB LYS 49 1HB LYS 49 5.541 1.721 -8.200 389 1HG LYS 49 2HG LYS 49 5.964 2.163 -5.795 390 2HG LYS 49 1HG LYS 49 4.772 0.937 -5.370 391 1HD LYS 49 2HD LYS 49 6.117 -0.776 -6.542 392 2HD LYS 49 1HD LYS 49 7.312 0.454 -6.963 393 1HE LYS 49 2HE LYS 49 8.116 0.612 -4.807 394 2HE LYS 49 1HE LYS 49 6.563 0.201 -4.083 395 1HZ LYS 49 1HZ LYS 49 8.225 -1.569 -3.839 396 2HZ LYS 49 2HZ LYS 49 8.319 -1.710 -5.529 397 3HZ LYS 49 3HZ LYS 49 6.871 -2.082 -4.723 398 H LYS 50 H LYS 50 1.886 1.614 -8.701 399 HA LYS 50 HA LYS 50 2.478 2.821 -11.227 400 1HB LYS 50 2HB LYS 50 1.213 0.631 -10.684 401 2HB LYS 50 1HB LYS 50 -0.174 1.666 -10.371 402 1HG LYS 50 2HG LYS 50 0.154 2.651 -12.676 403 2HG LYS 50 1HG LYS 50 1.352 1.387 -12.968 404 1HD LYS 50 2HD LYS 50 -1.460 0.796 -12.029 405 2HD LYS 50 1HD LYS 50 -1.021 0.845 -13.736 406 1HE LYS 50 2HE LYS 50 0.753 -0.888 -13.251 407 2HE LYS 50 1HE LYS 50 0.104 -1.019 -11.614 408 1HZ LYS 50 1HZ LYS 50 -1.504 -1.421 -14.077 409 2HZ LYS 50 2HZ LYS 50 -1.990 -1.711 -12.473 410 3HZ LYS 50 3HZ LYS 50 -0.793 -2.681 -13.190 411 H LEU 51 H LEU 51 0.403 3.473 -8.494 412 HA LEU 51 HA LEU 51 -1.193 5.579 -9.555 413 1HB LEU 51 2HB LEU 51 -0.547 4.397 -6.923 414 2HB LEU 51 1HB LEU 51 -1.055 6.056 -6.906 415 HG LEU 51 HG LEU 51 -2.889 4.426 -6.562 416 1HD1 LEU 51 1HD1 LEU 51 -2.845 6.793 -8.011 417 2HD1 LEU 51 2HD1 LEU 51 -4.273 5.991 -7.347 418 3HD1 LEU 51 3HD1 LEU 51 -3.792 5.690 -9.023 419 1HD2 LEU 51 1HD2 LEU 51 -1.933 3.473 -9.229 420 2HD2 LEU 51 2HD2 LEU 51 -3.672 3.469 -8.949 421 3HD2 LEU 51 3HD2 LEU 51 -2.604 2.551 -7.881 422 H ASN 52 H ASN 52 1.717 5.373 -7.591 423 HA ASN 52 HA ASN 52 2.194 8.072 -7.157 424 1HB ASN 52 2HB ASN 52 3.478 6.775 -5.790 425 2HB ASN 52 1HB ASN 52 3.595 5.483 -6.971 426 1HD2 ASN 52 1HD2 ASN 52 5.290 8.022 -5.507 427 2HD2 ASN 52 2HD2 ASN 52 6.638 8.036 -6.537 428 H ASP 53 H ASP 53 3.368 5.832 -9.596 429 HA ASP 53 HA ASP 53 4.891 7.717 -11.013 430 1HB ASP 53 2HB ASP 53 5.214 5.239 -11.104 431 2HB ASP 53 1HB ASP 53 3.712 5.125 -12.024 432 H ALA 54 H ALA 54 1.584 6.585 -11.181 433 HA ALA 54 HA ALA 54 0.944 7.678 -13.746 434 1HB ALA 54 1HB ALA 54 -1.395 7.265 -12.983 435 2HB ALA 54 2HB ALA 54 -0.731 6.822 -11.410 436 3HB ALA 54 3HB ALA 54 -0.328 5.867 -12.843 437 H GLN 55 H GLN 55 0.386 8.859 -10.418 438 HA GLN 55 HA GLN 55 -1.087 11.145 -11.437 439 1HB GLN 55 2HB GLN 55 -0.209 10.281 -8.693 440 2HB GLN 55 1HB GLN 55 -1.072 11.790 -9.000 441 1HG GLN 55 2HG GLN 55 -2.901 10.515 -10.066 442 2HG GLN 55 1HG GLN 55 -2.048 9.012 -9.710 443 1HE2 GLN 55 1HE2 GLN 55 -1.156 10.621 -7.079 444 2HE2 GLN 55 2HE2 GLN 55 -2.474 10.296 -6.058 445 H ALA 56 H ALA 56 1.936 10.567 -9.729 446 HA ALA 56 HA ALA 56 3.689 12.043 -9.223 447 1HB ALA 56 1HB ALA 56 3.224 12.848 -12.110 448 2HB ALA 56 2HB ALA 56 4.069 11.382 -11.616 449 3HB ALA 56 3HB ALA 56 4.736 12.964 -11.207 450 HA PRO 57 HA PRO 57 0.151 15.166 -8.470 451 1HB PRO 57 2HB PRO 57 1.594 15.785 -6.035 452 2HB PRO 57 1HB PRO 57 0.014 15.003 -6.228 453 1HG PRO 57 2HG PRO 57 2.671 13.807 -5.861 454 2HG PRO 57 1HG PRO 57 1.068 13.153 -5.479 455 1HD PRO 57 2HD PRO 57 2.486 12.188 -7.543 456 2HD PRO 57 1HD PRO 57 0.725 12.362 -7.667 457 H LYS 58 H LYS 58 0.556 16.726 -9.898 458 HA LYS 58 HA LYS 58 3.022 18.264 -9.925 459 1HB LYS 58 2HB LYS 58 0.476 18.524 -11.552 460 2HB LYS 58 1HB LYS 58 1.957 19.436 -11.834 461 1HG LYS 58 2HG LYS 58 2.492 17.726 -13.243 462 2HG LYS 58 1HG LYS 58 2.931 16.872 -11.768 463 1HD LYS 58 2HD LYS 58 1.487 15.349 -12.821 464 2HD LYS 58 1HD LYS 58 0.407 16.178 -11.703 465 1HE LYS 58 2HE LYS 58 -0.247 17.730 -13.559 466 2HE LYS 58 1HE LYS 58 0.745 16.772 -14.659 467 1HZ LYS 58 1HZ LYS 58 -1.558 15.773 -13.072 468 2HZ LYS 58 2HZ LYS 58 -0.589 14.830 -14.100 469 3HZ LYS 58 3HZ LYS 58 -1.556 16.071 -14.743 Start of MODEL 9 1 1H VAL 1 1HT VAL 1 -7.117 -10.354 12.992 2 2H VAL 1 2HT VAL 1 -6.622 -9.508 11.605 3 3H VAL 1 3HT VAL 1 -7.926 -8.937 12.532 4 HA VAL 1 HA VAL 1 -5.692 -7.779 12.803 5 HB VAL 1 HB VAL 1 -7.631 -7.439 14.294 6 1HG1 VAL 1 1HG1 VAL 1 -6.542 -9.668 16.032 7 2HG1 VAL 1 2HG1 VAL 1 -7.839 -9.929 14.866 8 3HG1 VAL 1 3HG1 VAL 1 -8.068 -8.803 16.202 9 1HG2 VAL 1 1HG2 VAL 1 -5.111 -7.817 15.941 10 2HG2 VAL 1 2HG2 VAL 1 -6.413 -6.666 16.231 11 3HG2 VAL 1 3HG2 VAL 1 -5.357 -6.467 14.832 12 H ASP 2 H ASP 2 -6.123 -11.003 14.195 13 HA ASP 2 HA ASP 2 -3.380 -11.156 15.153 14 1HB ASP 2 2HB ASP 2 -4.043 -13.410 15.891 15 2HB ASP 2 1HB ASP 2 -5.211 -12.202 16.423 16 H ASN 3 H ASN 3 -4.641 -11.260 12.168 17 HA ASN 3 HA ASN 3 -3.495 -13.651 11.073 18 1HB ASN 3 2HB ASN 3 -4.383 -11.107 9.686 19 2HB ASN 3 1HB ASN 3 -4.060 -12.652 8.907 20 1HD2 ASN 3 1HD2 ASN 3 -6.610 -11.457 8.658 21 2HD2 ASN 3 2HD2 ASN 3 -7.741 -12.384 9.520 22 H LYS 4 H LYS 4 -1.926 -13.453 9.189 23 HA LYS 4 HA LYS 4 0.500 -12.205 10.130 24 1HB LYS 4 2HB LYS 4 0.004 -13.691 7.545 25 2HB LYS 4 1HB LYS 4 1.575 -13.292 8.233 26 1HG LYS 4 2HG LYS 4 1.000 -14.649 10.257 27 2HG LYS 4 1HG LYS 4 -0.498 -15.137 9.463 28 1HD LYS 4 2HD LYS 4 0.865 -16.064 7.572 29 2HD LYS 4 1HD LYS 4 2.324 -15.686 8.487 30 1HE LYS 4 2HE LYS 4 0.095 -17.481 9.500 31 2HE LYS 4 1HE LYS 4 1.581 -18.067 8.754 32 1HZ LYS 4 1HZ LYS 4 1.886 -18.094 11.093 33 2HZ LYS 4 2HZ LYS 4 1.325 -16.499 11.259 34 3HZ LYS 4 3HZ LYS 4 2.809 -16.806 10.490 35 H PHE 5 H PHE 5 -2.046 -10.896 8.754 36 HA PHE 5 HA PHE 5 -1.361 -9.573 6.426 37 1HB PHE 5 2HB PHE 5 -2.938 -8.593 8.811 38 2HB PHE 5 1HB PHE 5 -2.790 -7.705 7.311 39 HD1 PHE 5 1HD PHE 5 -2.970 -11.386 7.118 40 HD2 PHE 5 2HD PHE 5 -5.222 -7.714 7.147 41 HE1 PHE 5 1HE PHE 5 -4.954 -12.571 6.218 42 HE2 PHE 5 2HE PHE 5 -7.190 -8.905 6.252 43 HZ PHE 5 HZ PHE 5 -7.058 -11.317 5.784 44 H ASN 6 H ASN 6 -0.913 -8.435 9.781 45 HA ASN 6 HA ASN 6 0.142 -5.953 9.255 46 1HB ASN 6 2HB ASN 6 -0.481 -6.926 11.480 47 2HB ASN 6 1HB ASN 6 1.084 -7.730 11.481 48 1HD2 ASN 6 1HD2 ASN 6 2.848 -6.512 12.236 49 2HD2 ASN 6 2HD2 ASN 6 2.812 -4.834 12.494 50 H LYS 7 H LYS 7 2.018 -8.990 9.633 51 HA LYS 7 HA LYS 7 4.538 -7.813 9.322 52 1HB LYS 7 2HB LYS 7 4.229 -10.075 10.163 53 2HB LYS 7 1HB LYS 7 3.635 -10.600 8.592 54 1HG LYS 7 2HG LYS 7 5.947 -11.247 8.705 55 2HG LYS 7 1HG LYS 7 5.872 -9.864 7.620 56 1HD LYS 7 2HD LYS 7 6.265 -9.182 10.483 57 2HD LYS 7 1HD LYS 7 7.596 -10.067 9.742 58 1HE LYS 7 2HE LYS 7 7.402 -8.345 7.809 59 2HE LYS 7 1HE LYS 7 6.454 -7.388 8.946 60 1HZ LYS 7 1HZ LYS 7 8.301 -7.503 10.510 61 2HZ LYS 7 2HZ LYS 7 8.778 -6.785 9.047 62 3HZ LYS 7 3HZ LYS 7 9.213 -8.389 9.390 63 H GLU 8 H GLU 8 2.255 -9.120 6.967 64 HA GLU 8 HA GLU 8 3.933 -8.662 4.670 65 1HB GLU 8 2HB GLU 8 2.149 -10.371 4.779 66 2HB GLU 8 1HB GLU 8 0.942 -9.103 4.959 67 1HG GLU 8 2HG GLU 8 1.434 -8.226 2.779 68 2HG GLU 8 1HG GLU 8 2.808 -9.312 2.585 69 H ARG 9 H ARG 9 1.461 -6.919 6.411 70 HA ARG 9 HA ARG 9 1.121 -4.809 4.567 71 1HB ARG 9 2HB ARG 9 0.289 -5.224 7.418 72 2HB ARG 9 1HB ARG 9 0.017 -3.692 6.592 73 1HG ARG 9 2HG ARG 9 -1.201 -4.845 4.818 74 2HG ARG 9 1HG ARG 9 -0.921 -6.395 5.574 75 1HD ARG 9 2HD ARG 9 -3.122 -5.778 6.198 76 2HD ARG 9 1HD ARG 9 -2.134 -5.449 7.621 77 HE ARG 9 HE ARG 9 -3.365 -3.457 5.846 78 1HH1 ARG 9 1HH2 ARG 9 -3.446 -3.741 8.958 79 2HH1 ARG 9 2HH2 ARG 9 -2.530 -2.343 9.413 80 1HH2 ARG 9 1HH1 ARG 9 -1.243 -1.832 6.239 81 2HH2 ARG 9 2HH1 ARG 9 -1.284 -1.262 7.873 82 H VAL 10 H VAL 10 3.295 -5.314 7.288 83 HA VAL 10 HA VAL 10 4.074 -2.640 7.723 84 HB VAL 10 HB VAL 10 5.953 -5.014 7.877 85 1HG1 VAL 10 1HG1 VAL 10 7.311 -3.655 9.249 86 2HG1 VAL 10 2HG1 VAL 10 6.004 -2.521 9.583 87 3HG1 VAL 10 3HG1 VAL 10 6.768 -2.539 7.990 88 1HG2 VAL 10 1HG2 VAL 10 3.656 -4.342 9.578 89 2HG2 VAL 10 2HG2 VAL 10 5.167 -4.483 10.474 90 3HG2 VAL 10 3HG2 VAL 10 4.606 -5.829 9.483 91 H ILE 11 H ILE 11 5.248 -5.192 5.733 92 HA ILE 11 HA ILE 11 7.373 -3.893 4.473 93 HB ILE 11 HB ILE 11 5.574 -6.146 3.550 94 1HG1 ILE 11 2HG1 ILE 11 8.263 -6.339 4.941 95 2HG1 ILE 11 1HG1 ILE 11 6.732 -6.395 5.822 96 1HG2 ILE 11 1HG2 ILE 11 8.418 -5.546 2.719 97 2HG2 ILE 11 2HG2 ILE 11 7.000 -5.083 1.770 98 3HG2 ILE 11 3HG2 ILE 11 7.345 -6.795 2.078 99 1HD1 ILE 11 1HD1 ILE 11 7.181 -8.217 3.461 100 2HD1 ILE 11 2HD1 ILE 11 6.095 -8.429 4.839 101 3HD1 ILE 11 3HD1 ILE 11 7.834 -8.643 5.045 102 H ALA 12 H ALA 12 4.041 -4.480 3.537 103 HA ALA 12 HA ALA 12 4.113 -3.121 1.055 104 1HB ALA 12 1HB ALA 12 1.542 -3.240 1.544 105 2HB ALA 12 2HB ALA 12 2.076 -4.286 2.875 106 3HB ALA 12 3HB ALA 12 2.479 -4.694 1.199 107 H ILE 13 H ILE 13 2.764 -2.158 4.233 108 HA ILE 13 HA ILE 13 1.773 0.337 3.395 109 HB ILE 13 HB ILE 13 1.233 -0.841 5.583 110 1HG1 ILE 13 2HG1 ILE 13 1.825 2.012 5.144 111 2HG1 ILE 13 1HG1 ILE 13 0.360 1.252 5.738 112 1HG2 ILE 13 1HG2 ILE 13 3.774 0.413 6.644 113 2HG2 ILE 13 2HG2 ILE 13 3.755 -1.230 6.042 114 3HG2 ILE 13 3HG2 ILE 13 2.741 -0.797 7.404 115 1HD1 ILE 13 1HD1 ILE 13 1.559 0.904 7.937 116 2HD1 ILE 13 2HD1 ILE 13 1.239 2.591 7.527 117 3HD1 ILE 13 3HD1 ILE 13 2.857 1.917 7.300 118 H GLY 14 H GLY 14 4.840 -0.824 4.551 119 1HA GLY 14 2HA GLY 14 6.149 1.642 4.817 120 2HA GLY 14 1HA GLY 14 6.928 0.060 4.649 121 H GLU 15 H GLU 15 5.649 -0.675 2.149 122 HA GLU 15 HA GLU 15 7.415 0.596 0.300 123 1HB GLU 15 2HB GLU 15 5.003 -1.195 -0.085 124 2HB GLU 15 1HB GLU 15 6.028 -0.654 -1.408 125 1HG GLU 15 2HG GLU 15 7.632 -1.789 0.732 126 2HG GLU 15 1HG GLU 15 6.383 -2.928 0.208 127 H ILE 16 H ILE 16 3.935 0.668 0.874 128 HA ILE 16 HA ILE 16 3.363 2.508 -1.160 129 HB ILE 16 HB ILE 16 1.814 1.296 1.069 130 1HG1 ILE 16 2HG1 ILE 16 1.403 1.297 -1.920 131 2HG1 ILE 16 1HG1 ILE 16 2.532 0.208 -1.136 132 1HG2 ILE 16 1HG2 ILE 16 0.241 2.862 -0.905 133 2HG2 ILE 16 2HG2 ILE 16 1.116 3.844 0.269 134 3HG2 ILE 16 3HG2 ILE 16 -0.019 2.622 0.831 135 1HD1 ILE 16 1HD1 ILE 16 0.828 -1.178 -0.716 136 2HD1 ILE 16 2HD1 ILE 16 -0.303 -0.014 -1.400 137 3HD1 ILE 16 3HD1 ILE 16 0.112 0.055 0.319 138 H MET 17 H MET 17 3.809 2.928 2.303 139 HA MET 17 HA MET 17 3.028 5.636 2.438 140 1HB MET 17 2HB MET 17 4.810 3.918 4.181 141 2HB MET 17 1HB MET 17 4.464 5.611 4.563 142 1HG MET 17 2HG MET 17 2.284 3.573 4.041 143 2HG MET 17 1HG MET 17 2.911 3.895 5.654 144 1HE MET 17 1HE MET 17 0.116 4.028 5.561 145 2HE MET 17 2HE MET 17 -0.063 4.316 3.835 146 3HE MET 17 3HE MET 17 -0.758 5.457 4.988 147 H ARG 18 H ARG 18 5.866 4.136 1.170 148 HA ARG 18 HA ARG 18 7.685 6.337 1.427 149 1HB ARG 18 2HB ARG 18 8.474 4.041 1.107 150 2HB ARG 18 1HB ARG 18 7.652 3.955 -0.448 151 1HG ARG 18 2HG ARG 18 9.073 5.815 -1.286 152 2HG ARG 18 1HG ARG 18 9.929 5.833 0.259 153 1HD ARG 18 2HD ARG 18 10.550 3.444 -0.111 154 2HD ARG 18 1HD ARG 18 9.772 3.518 -1.691 155 HE ARG 18 HE ARG 18 11.927 5.438 -1.097 156 1HH1 ARG 18 1HH1 ARG 18 13.032 2.675 -1.521 157 2HH1 ARG 18 2HH1 ARG 18 13.306 2.647 -3.231 158 1HH2 ARG 18 1HH2 ARG 18 11.295 5.395 -3.862 159 2HH2 ARG 18 2HH2 ARG 18 12.323 4.187 -4.556 160 H LEU 19 H LEU 19 5.379 5.236 -0.949 161 HA LEU 19 HA LEU 19 5.959 6.546 -3.238 162 1HB LEU 19 2HB LEU 19 3.204 6.335 -2.045 163 2HB LEU 19 1HB LEU 19 3.607 6.452 -3.760 164 HG LEU 19 HG LEU 19 4.493 4.207 -1.916 165 1HD1 LEU 19 1HD1 LEU 19 2.898 2.817 -2.990 166 2HD1 LEU 19 2HD1 LEU 19 2.502 4.070 -4.170 167 3HD1 LEU 19 3HD1 LEU 19 2.034 4.265 -2.480 168 1HD2 LEU 19 1HD2 LEU 19 4.965 3.211 -4.299 169 2HD2 LEU 19 2HD2 LEU 19 6.136 4.282 -3.526 170 3HD2 LEU 19 3HD2 LEU 19 5.044 4.913 -4.773 171 HA PRO 20 HA PRO 20 5.797 10.836 -1.772 172 1HB PRO 20 2HB PRO 20 7.231 11.611 -4.148 173 2HB PRO 20 1HB PRO 20 7.841 11.494 -2.491 174 1HG PRO 20 2HG PRO 20 8.563 9.861 -4.610 175 2HG PRO 20 1HG PRO 20 8.830 9.518 -2.893 176 1HD PRO 20 2HD PRO 20 6.767 8.425 -4.739 177 2HD PRO 20 1HD PRO 20 7.531 7.685 -3.313 178 H ASN 21 H ASN 21 4.513 9.400 -4.626 179 HA ASN 21 HA ASN 21 3.281 11.956 -5.460 180 1HB ASN 21 2HB ASN 21 3.980 9.455 -6.911 181 2HB ASN 21 1HB ASN 21 2.750 10.520 -7.564 182 1HD2 ASN 21 1HD2 ASN 21 5.809 9.891 -8.186 183 2HD2 ASN 21 2HD2 ASN 21 6.439 11.444 -8.447 184 H LEU 22 H LEU 22 2.254 10.507 -3.227 185 HA LEU 22 HA LEU 22 -0.468 10.015 -4.239 186 1HB LEU 22 2HB LEU 22 1.052 8.325 -2.249 187 2HB LEU 22 1HB LEU 22 -0.704 8.247 -2.451 188 HG LEU 22 HG LEU 22 1.174 7.922 -4.794 189 1HD1 LEU 22 1HD1 LEU 22 -0.066 5.529 -3.555 190 2HD1 LEU 22 2HD1 LEU 22 1.294 6.235 -2.687 191 3HD1 LEU 22 3HD1 LEU 22 1.490 5.719 -4.359 192 1HD2 LEU 22 1HD2 LEU 22 -0.770 7.780 -5.910 193 2HD2 LEU 22 2HD2 LEU 22 -1.664 8.054 -4.404 194 3HD2 LEU 22 3HD2 LEU 22 -1.238 6.408 -4.894 195 H ASN 23 H ASN 23 -2.112 10.662 -2.928 196 HA ASN 23 HA ASN 23 -1.382 12.591 -0.846 197 1HB ASN 23 2HB ASN 23 -3.974 12.759 -0.720 198 2HB ASN 23 1HB ASN 23 -3.177 13.399 -2.153 199 1HD2 ASN 23 1HD2 ASN 23 -3.444 12.241 -4.175 200 2HD2 ASN 23 2HD2 ASN 23 -4.588 10.996 -4.343 201 H SER 24 H SER 24 -2.300 12.330 1.330 202 HA SER 24 HA SER 24 -1.643 9.909 2.450 203 1HB SER 24 2HB SER 24 -2.994 10.551 4.398 204 2HB SER 24 1HB SER 24 -1.928 11.839 3.831 205 HG SER 24 HG SER 24 -4.708 11.535 3.317 206 H LEU 25 H LEU 25 -4.757 10.881 1.123 207 HA LEU 25 HA LEU 25 -6.271 8.726 2.137 208 1HB LEU 25 2HB LEU 25 -6.658 10.119 -0.509 209 2HB LEU 25 1HB LEU 25 -7.861 9.245 0.423 210 HG LEU 25 HG LEU 25 -7.330 10.975 2.304 211 1HD1 LEU 25 1HD1 LEU 25 -5.866 12.073 -0.031 212 2HD1 LEU 25 2HD1 LEU 25 -5.643 12.395 1.686 213 3HD1 LEU 25 3HD1 LEU 25 -6.918 13.220 0.794 214 1HD2 LEU 25 1HD2 LEU 25 -8.857 11.345 -0.246 215 2HD2 LEU 25 2HD2 LEU 25 -8.865 12.636 0.961 216 3HD2 LEU 25 3HD2 LEU 25 -9.475 11.031 1.377 217 H GLN 26 H GLN 26 -4.558 9.137 -0.967 218 HA GLN 26 HA GLN 26 -5.190 6.575 -1.942 219 1HB GLN 26 2HB GLN 26 -3.010 8.506 -2.527 220 2HB GLN 26 1HB GLN 26 -3.081 6.949 -3.316 221 1HG GLN 26 2HG GLN 26 -5.442 8.829 -3.235 222 2HG GLN 26 1HG GLN 26 -4.235 8.910 -4.523 223 1HE2 GLN 26 1HE2 GLN 26 -3.722 6.325 -5.213 224 2HE2 GLN 26 2HE2 GLN 26 -5.141 5.508 -5.658 225 H VAL 27 H VAL 27 -2.495 7.923 -0.202 226 HA VAL 27 HA VAL 27 -0.824 5.706 -0.032 227 HB VAL 27 HB VAL 27 -1.365 8.116 1.700 228 1HG1 VAL 27 1HG1 VAL 27 -0.476 6.976 3.422 229 2HG1 VAL 27 2HG1 VAL 27 1.043 7.353 2.606 230 3HG1 VAL 27 3HG1 VAL 27 0.293 5.771 2.377 231 1HG2 VAL 27 1HG2 VAL 27 1.089 8.530 0.929 232 2HG2 VAL 27 2HG2 VAL 27 -0.211 8.764 -0.240 233 3HG2 VAL 27 3HG2 VAL 27 0.751 7.287 -0.273 234 H VAL 28 H VAL 28 -3.477 6.851 1.932 235 HA VAL 28 HA VAL 28 -3.399 4.670 3.779 236 HB VAL 28 HB VAL 28 -5.528 6.746 3.389 237 1HG1 VAL 28 1HG1 VAL 28 -4.942 4.738 5.605 238 2HG1 VAL 28 2HG1 VAL 28 -6.330 4.652 4.504 239 3HG1 VAL 28 3HG1 VAL 28 -6.202 5.976 5.670 240 1HG2 VAL 28 1HG2 VAL 28 -3.741 6.694 5.746 241 2HG2 VAL 28 2HG2 VAL 28 -4.237 8.065 4.748 242 3HG2 VAL 28 3HG2 VAL 28 -2.910 7.015 4.222 243 H ALA 29 H ALA 29 -5.098 5.418 0.897 244 HA ALA 29 HA ALA 29 -7.188 3.599 0.883 245 1HB ALA 29 1HB ALA 29 -5.417 4.154 -1.498 246 2HB ALA 29 2HB ALA 29 -6.498 5.395 -0.848 247 3HB ALA 29 3HB ALA 29 -7.161 3.878 -1.460 248 H PHE 30 H PHE 30 -3.797 3.338 0.180 249 HA PHE 30 HA PHE 30 -3.882 0.669 -0.690 250 1HB PHE 30 2HB PHE 30 -1.799 2.651 0.069 251 2HB PHE 30 1HB PHE 30 -1.390 0.967 -0.167 252 HD1 PHE 30 1HD PHE 30 -2.441 -0.177 -2.299 253 HD2 PHE 30 2HD PHE 30 -1.843 4.023 -1.775 254 HE1 PHE 30 1HE PHE 30 -2.609 0.155 -4.729 255 HE2 PHE 30 2HE PHE 30 -2.083 4.379 -4.162 256 HZ PHE 30 HZ PHE 30 -2.459 2.439 -5.693 257 H ILE 31 H ILE 31 -3.242 2.369 2.396 258 HA ILE 31 HA ILE 31 -2.344 0.094 3.827 259 HB ILE 31 HB ILE 31 -4.235 2.214 4.915 260 1HG1 ILE 31 2HG1 ILE 31 -1.213 2.177 5.055 261 2HG1 ILE 31 1HG1 ILE 31 -2.131 3.183 3.944 262 1HG2 ILE 31 1HG2 ILE 31 -2.308 0.292 6.256 263 2HG2 ILE 31 2HG2 ILE 31 -4.070 0.260 6.365 264 3HG2 ILE 31 3HG2 ILE 31 -3.163 1.588 7.090 265 1HD1 ILE 31 1HD1 ILE 31 -3.265 3.478 6.562 266 2HD1 ILE 31 2HD1 ILE 31 -2.475 4.702 5.579 267 3HD1 ILE 31 3HD1 ILE 31 -1.523 3.714 6.684 268 H ASN 32 H ASN 32 -5.466 1.376 2.956 269 HA ASN 32 HA ASN 32 -7.084 -0.522 4.328 270 1HB ASN 32 2HB ASN 32 -7.545 1.425 2.076 271 2HB ASN 32 1HB ASN 32 -8.837 0.426 2.730 272 1HD2 ASN 32 1HD2 ASN 32 -8.898 3.285 2.906 273 2HD2 ASN 32 2HD2 ASN 32 -8.742 3.728 4.536 274 H SER 33 H SER 33 -5.799 -0.395 1.013 275 HA SER 33 HA SER 33 -7.317 -2.563 0.039 276 1HB SER 33 2HB SER 33 -4.594 -1.628 -0.859 277 2HB SER 33 1HB SER 33 -5.723 -2.625 -1.774 278 HG SER 33 HG SER 33 -6.228 0.001 -0.813 279 H LEU 34 H LEU 34 -4.275 -2.389 1.809 280 HA LEU 34 HA LEU 34 -3.393 -5.043 1.329 281 1HB LEU 34 2HB LEU 34 -2.895 -3.855 4.028 282 2HB LEU 34 1HB LEU 34 -1.832 -4.813 3.006 283 HG LEU 34 HG LEU 34 -2.551 -1.910 2.699 284 1HD1 LEU 34 1HD1 LEU 34 -0.068 -3.427 3.408 285 2HD1 LEU 34 2HD1 LEU 34 -0.806 -2.058 4.240 286 3HD1 LEU 34 3HD1 LEU 34 0.034 -1.813 2.707 287 1HD2 LEU 34 1HD2 LEU 34 -0.720 -2.213 0.801 288 2HD2 LEU 34 2HD2 LEU 34 -2.428 -2.486 0.455 289 3HD2 LEU 34 3HD2 LEU 34 -1.365 -3.853 0.766 290 H ARG 35 H ARG 35 -5.384 -3.736 3.974 291 HA ARG 35 HA ARG 35 -5.715 -6.296 5.227 292 1HB ARG 35 2HB ARG 35 -6.951 -5.187 6.843 293 2HB ARG 35 1HB ARG 35 -5.945 -3.890 6.213 294 1HG ARG 35 2HG ARG 35 -7.870 -3.329 4.642 295 2HG ARG 35 1HG ARG 35 -8.855 -4.425 5.602 296 1HD ARG 35 2HD ARG 35 -8.133 -3.077 7.641 297 2HD ARG 35 1HD ARG 35 -7.468 -1.892 6.516 298 HE ARG 35 HE ARG 35 -10.313 -2.497 6.936 299 1HH1 ARG 35 1HH2 ARG 35 -9.836 -2.032 4.022 300 2HH1 ARG 35 2HH2 ARG 35 -10.041 -0.318 3.882 301 1HH2 ARG 35 1HH1 ARG 35 -9.713 0.263 7.277 302 2HH2 ARG 35 2HH1 ARG 35 -9.962 0.982 5.722 303 H ASP 36 H ASP 36 -7.461 -4.422 2.869 304 HA ASP 36 HA ASP 36 -9.802 -6.066 2.775 305 1HB ASP 36 2HB ASP 36 -8.604 -4.104 0.789 306 2HB ASP 36 1HB ASP 36 -10.179 -4.867 0.598 307 H ASP 37 H ASP 37 -6.584 -6.240 1.620 308 HA ASP 37 HA ASP 37 -6.944 -8.882 0.555 309 1HB ASP 37 2HB ASP 37 -7.759 -7.236 -1.280 310 2HB ASP 37 1HB ASP 37 -6.053 -6.868 -1.494 311 HA PRO 38 HA PRO 38 -2.702 -7.920 2.075 312 1HB PRO 38 2HB PRO 38 -2.614 -10.587 3.173 313 2HB PRO 38 1HB PRO 38 -2.649 -9.040 4.030 314 1HG PRO 38 2HG PRO 38 -4.681 -10.908 3.962 315 2HG PRO 38 1HG PRO 38 -4.831 -9.216 4.449 316 1HD PRO 38 2HD PRO 38 -5.683 -10.522 1.924 317 2HD PRO 38 1HD PRO 38 -6.315 -9.061 2.714 318 H SER 39 H SER 39 -3.946 -10.760 0.372 319 HA SER 39 HA SER 39 -1.450 -11.840 -0.432 320 1HB SER 39 2HB SER 39 -2.684 -13.141 -2.018 321 2HB SER 39 1HB SER 39 -3.704 -13.001 -0.592 322 HG SER 39 HG SER 39 -4.487 -11.009 -1.838 323 H GLN 40 H GLN 40 -3.415 -9.205 -1.479 324 HA GLN 40 HA GLN 40 -1.806 -8.755 -3.870 325 1HB GLN 40 2HB GLN 40 -4.338 -7.493 -2.831 326 2HB GLN 40 1HB GLN 40 -3.457 -6.851 -4.215 327 1HG GLN 40 2HG GLN 40 -3.654 -9.026 -5.362 328 2HG GLN 40 1HG GLN 40 -4.536 -9.678 -3.987 329 1HE2 GLN 40 1HE2 GLN 40 -5.612 -6.555 -4.096 330 2HE2 GLN 40 2HE2 GLN 40 -6.938 -6.744 -5.136 331 H SER 41 H SER 41 -1.193 -8.215 -0.777 332 HA SER 41 HA SER 41 -0.782 -5.463 -0.412 333 1HB SER 41 2HB SER 41 0.893 -6.096 1.264 334 2HB SER 41 1HB SER 41 -0.452 -7.221 1.376 335 HG SER 41 HG SER 41 0.762 -8.774 0.554 336 H ALA 42 H ALA 42 0.990 -7.923 -2.095 337 HA ALA 42 HA ALA 42 3.299 -6.422 -2.758 338 1HB ALA 42 1HB ALA 42 2.115 -8.872 -4.050 339 2HB ALA 42 2HB ALA 42 3.256 -8.876 -2.705 340 3HB ALA 42 3HB ALA 42 3.759 -8.279 -4.287 341 H ASN 43 H ASN 43 0.218 -7.048 -4.310 342 HA ASN 43 HA ASN 43 0.832 -5.949 -6.879 343 1HB ASN 43 2HB ASN 43 -1.092 -7.521 -5.961 344 2HB ASN 43 1HB ASN 43 -1.888 -5.970 -5.709 345 1HD2 ASN 43 1HD2 ASN 43 -1.576 -4.457 -7.811 346 2HD2 ASN 43 2HD2 ASN 43 -1.901 -5.228 -9.288 347 H LEU 44 H LEU 44 -0.528 -4.906 -3.897 348 HA LEU 44 HA LEU 44 -1.700 -2.544 -4.781 349 1HB LEU 44 2HB LEU 44 -0.885 -3.539 -2.099 350 2HB LEU 44 1HB LEU 44 -1.735 -2.012 -2.310 351 HG LEU 44 HG LEU 44 -2.719 -4.516 -3.655 352 1HD1 LEU 44 1HD1 LEU 44 -3.497 -3.598 -0.888 353 2HD1 LEU 44 2HD1 LEU 44 -2.624 -5.074 -1.283 354 3HD1 LEU 44 3HD1 LEU 44 -4.289 -4.872 -1.811 355 1HD2 LEU 44 1HD2 LEU 44 -3.977 -1.915 -2.819 356 2HD2 LEU 44 2HD2 LEU 44 -4.855 -3.266 -3.542 357 3HD2 LEU 44 3HD2 LEU 44 -3.597 -2.441 -4.462 358 H LEU 45 H LEU 45 1.569 -3.047 -3.464 359 HA LEU 45 HA LEU 45 2.023 -0.190 -3.608 360 1HB LEU 45 2HB LEU 45 4.557 -1.457 -4.067 361 2HB LEU 45 1HB LEU 45 4.058 -0.475 -2.708 362 HG LEU 45 HG LEU 45 4.869 -2.595 -1.934 363 1HD1 LEU 45 1HD1 LEU 45 2.988 -1.593 -0.734 364 2HD1 LEU 45 2HD1 LEU 45 2.953 -3.353 -0.647 365 3HD1 LEU 45 3HD1 LEU 45 1.864 -2.505 -1.729 366 1HD2 LEU 45 1HD2 LEU 45 2.759 -4.210 -3.156 367 2HD2 LEU 45 2HD2 LEU 45 4.472 -4.550 -2.971 368 3HD2 LEU 45 3HD2 LEU 45 3.908 -3.537 -4.305 369 H ALA 46 H ALA 46 2.137 -2.951 -5.664 370 HA ALA 46 HA ALA 46 3.563 -1.907 -7.876 371 1HB ALA 46 1HB ALA 46 2.284 -4.280 -7.299 372 2HB ALA 46 2HB ALA 46 2.915 -3.848 -8.889 373 3HB ALA 46 3HB ALA 46 1.213 -3.573 -8.506 374 H GLU 47 H GLU 47 0.195 -1.884 -6.911 375 HA GLU 47 HA GLU 47 -0.904 -0.404 -9.070 376 1HB GLU 47 2HB GLU 47 -1.625 -1.339 -6.347 377 2HB GLU 47 1HB GLU 47 -2.493 0.092 -6.910 378 1HG GLU 47 2HG GLU 47 -3.500 -1.040 -8.671 379 2HG GLU 47 1HG GLU 47 -2.250 -2.285 -8.728 380 H ALA 48 H ALA 48 0.108 0.303 -5.828 381 HA ALA 48 HA ALA 48 -0.358 3.035 -5.708 382 1HB ALA 48 1HB ALA 48 0.759 2.973 -3.706 383 2HB ALA 48 2HB ALA 48 1.922 1.776 -4.285 384 3HB ALA 48 3HB ALA 48 0.279 1.295 -3.894 385 H LYS 49 H LYS 49 2.567 1.264 -6.586 386 HA LYS 49 HA LYS 49 4.195 3.544 -7.062 387 1HB LYS 49 2HB LYS 49 4.281 0.707 -8.126 388 2HB LYS 49 1HB LYS 49 5.478 1.922 -8.578 389 1HG LYS 49 2HG LYS 49 6.113 2.238 -6.243 390 2HG LYS 49 1HG LYS 49 4.848 1.142 -5.707 391 1HD LYS 49 2HD LYS 49 5.969 -0.665 -7.105 392 2HD LYS 49 1HD LYS 49 7.312 0.455 -7.331 393 1HE LYS 49 2HE LYS 49 7.448 0.638 -4.797 394 2HE LYS 49 1HE LYS 49 6.301 -0.700 -4.718 395 1HZ LYS 49 1HZ LYS 49 7.860 -2.003 -6.087 396 2HZ LYS 49 2HZ LYS 49 8.508 -1.561 -4.579 397 3HZ LYS 49 3HZ LYS 49 8.982 -0.735 -5.987 398 H LYS 50 H LYS 50 1.805 1.764 -8.933 399 HA LYS 50 HA LYS 50 2.264 3.134 -11.420 400 1HB LYS 50 2HB LYS 50 0.486 1.066 -10.415 401 2HB LYS 50 1HB LYS 50 -0.420 2.259 -11.339 402 1HG LYS 50 2HG LYS 50 0.267 0.793 -13.017 403 2HG LYS 50 1HG LYS 50 1.537 2.011 -13.074 404 1HD LYS 50 2HD LYS 50 2.811 0.062 -13.015 405 2HD LYS 50 1HD LYS 50 2.709 0.437 -11.296 406 1HE LYS 50 2HE LYS 50 0.569 -1.045 -11.318 407 2HE LYS 50 1HE LYS 50 1.179 -1.641 -12.863 408 1HZ LYS 50 1HZ LYS 50 3.179 -2.360 -11.825 409 2HZ LYS 50 2HZ LYS 50 1.885 -2.962 -10.901 410 3HZ LYS 50 3HZ LYS 50 2.768 -1.615 -10.357 411 H LEU 51 H LEU 51 0.270 3.569 -8.586 412 HA LEU 51 HA LEU 51 -1.403 5.672 -9.493 413 1HB LEU 51 2HB LEU 51 -0.654 4.459 -6.907 414 2HB LEU 51 1HB LEU 51 -1.220 6.100 -6.845 415 HG LEU 51 HG LEU 51 -3.001 4.407 -6.515 416 1HD1 LEU 51 1HD1 LEU 51 -3.392 6.729 -7.334 417 2HD1 LEU 51 2HD1 LEU 51 -4.617 5.570 -7.873 418 3HD1 LEU 51 3HD1 LEU 51 -3.362 6.103 -8.990 419 1HD2 LEU 51 1HD2 LEU 51 -3.782 3.428 -8.861 420 2HD2 LEU 51 2HD2 LEU 51 -2.586 2.575 -7.881 421 3HD2 LEU 51 3HD2 LEU 51 -2.066 3.569 -9.241 422 H ASN 52 H ASN 52 1.654 5.499 -7.776 423 HA ASN 52 HA ASN 52 1.993 8.232 -7.253 424 1HB ASN 52 2HB ASN 52 3.546 7.096 -6.049 425 2HB ASN 52 1HB ASN 52 3.559 5.759 -7.183 426 1HD2 ASN 52 1HD2 ASN 52 5.977 5.838 -6.624 427 2HD2 ASN 52 2HD2 ASN 52 6.964 6.882 -7.527 428 H ASP 53 H ASP 53 3.076 6.156 -9.853 429 HA ASP 53 HA ASP 53 4.315 8.171 -11.358 430 1HB ASP 53 2HB ASP 53 3.225 5.473 -12.170 431 2HB ASP 53 1HB ASP 53 4.280 6.467 -13.171 432 H ALA 54 H ALA 54 1.090 6.807 -11.251 433 HA ALA 54 HA ALA 54 0.096 8.001 -13.669 434 1HB ALA 54 1HB ALA 54 -0.904 6.011 -12.728 435 2HB ALA 54 2HB ALA 54 -2.098 7.310 -12.763 436 3HB ALA 54 3HB ALA 54 -1.293 6.894 -11.248 437 H GLN 55 H GLN 55 -0.201 8.881 -10.240 438 HA GLN 55 HA GLN 55 -1.985 11.079 -10.822 439 1HB GLN 55 2HB GLN 55 -0.593 10.148 -8.312 440 2HB GLN 55 1HB GLN 55 -1.656 11.552 -8.369 441 1HG GLN 55 2HG GLN 55 -3.496 10.120 -9.196 442 2HG GLN 55 1HG GLN 55 -2.434 8.715 -9.104 443 1HE2 GLN 55 1HE2 GLN 55 -1.427 10.556 -6.553 444 2HE2 GLN 55 2HE2 GLN 55 -2.435 9.908 -5.344 445 H ALA 56 H ALA 56 1.300 10.689 -9.619 446 HA ALA 56 HA ALA 56 2.975 12.278 -9.250 447 1HB ALA 56 1HB ALA 56 2.056 13.139 -12.006 448 2HB ALA 56 2HB ALA 56 3.118 11.769 -11.681 449 3HB ALA 56 3HB ALA 56 3.651 13.408 -11.300 450 HA PRO 57 HA PRO 57 -0.595 15.162 -7.890 451 1HB PRO 57 2HB PRO 57 1.059 15.649 -5.567 452 2HB PRO 57 1HB PRO 57 -0.503 14.817 -5.665 453 1HG PRO 57 2HG PRO 57 2.214 13.712 -5.631 454 2HG PRO 57 1HG PRO 57 0.677 12.962 -5.166 455 1HD PRO 57 2HD PRO 57 1.957 12.233 -7.416 456 2HD PRO 57 1HD PRO 57 0.187 12.300 -7.357 457 H LYS 58 H LYS 58 -0.336 16.823 -9.265 458 HA LYS 58 HA LYS 58 0.418 18.762 -10.225 459 1HB LYS 58 2HB LYS 58 1.334 19.248 -7.372 460 2HB LYS 58 1HB LYS 58 1.167 20.490 -8.616 461 1HG LYS 58 2HG LYS 58 -1.239 19.903 -8.850 462 2HG LYS 58 1HG LYS 58 -1.059 18.720 -7.553 463 1HD LYS 58 2HD LYS 58 -0.296 20.585 -6.046 464 2HD LYS 58 1HD LYS 58 -0.684 21.722 -7.338 465 1HE LYS 58 2HE LYS 58 -3.013 21.078 -7.302 466 2HE LYS 58 1HE LYS 58 -2.678 19.751 -6.188 467 1HZ LYS 58 1HZ LYS 58 -1.952 21.394 -4.546 468 2HZ LYS 58 2HZ LYS 58 -3.570 21.636 -5.002 469 3HZ LYS 58 3HZ LYS 58 -2.352 22.648 -5.614 Start of MODEL 10 1 1H VAL 1 1HT VAL 1 -0.081 -16.825 15.808 2 2H VAL 1 2HT VAL 1 -0.139 -17.026 17.493 3 3H VAL 1 3HT VAL 1 -0.093 -15.466 16.823 4 HA VAL 1 HA VAL 1 -2.301 -17.386 16.354 5 HB VAL 1 HB VAL 1 -3.586 -15.994 17.976 6 1HG1 VAL 1 1HG1 VAL 1 -1.072 -17.139 19.228 7 2HG1 VAL 1 2HG1 VAL 1 -2.412 -18.125 18.643 8 3HG1 VAL 1 3HG1 VAL 1 -2.664 -16.994 19.972 9 1HG2 VAL 1 1HG2 VAL 1 -2.349 -13.913 17.926 10 2HG2 VAL 1 2HG2 VAL 1 -0.867 -14.717 18.445 11 3HG2 VAL 1 3HG2 VAL 1 -2.223 -14.560 19.560 12 H ASP 2 H ASP 2 -0.867 -14.186 16.096 13 HA ASP 2 HA ASP 2 -3.014 -12.942 14.689 14 1HB ASP 2 2HB ASP 2 -0.068 -12.230 14.734 15 2HB ASP 2 1HB ASP 2 -1.384 -11.177 14.214 16 H ASN 3 H ASN 3 -3.261 -12.543 12.499 17 HA ASN 3 HA ASN 3 -2.375 -14.586 10.709 18 1HB ASN 3 2HB ASN 3 -3.674 -11.930 10.047 19 2HB ASN 3 1HB ASN 3 -3.596 -13.348 9.005 20 1HD2 ASN 3 1HD2 ASN 3 -4.310 -15.429 10.707 21 2HD2 ASN 3 2HD2 ASN 3 -5.871 -15.171 11.321 22 H LYS 4 H LYS 4 -1.369 -13.992 8.544 23 HA LYS 4 HA LYS 4 1.166 -12.725 9.034 24 1HB LYS 4 2HB LYS 4 0.035 -13.796 6.448 25 2HB LYS 4 1HB LYS 4 1.720 -13.375 6.744 26 1HG LYS 4 2HG LYS 4 1.710 -15.086 8.625 27 2HG LYS 4 1HG LYS 4 0.133 -15.613 8.037 28 1HD LYS 4 2HD LYS 4 2.669 -15.549 6.365 29 2HD LYS 4 1HD LYS 4 2.002 -16.992 7.122 30 1HE LYS 4 2HE LYS 4 1.052 -17.189 5.020 31 2HE LYS 4 1HE LYS 4 -0.201 -16.237 5.815 32 1HZ LYS 4 1HZ LYS 4 1.417 -15.538 3.612 33 2HZ LYS 4 2HZ LYS 4 1.709 -14.448 4.882 34 3HZ LYS 4 3HZ LYS 4 0.130 -14.674 4.298 35 H PHE 5 H PHE 5 -1.693 -11.396 8.578 36 HA PHE 5 HA PHE 5 -1.592 -9.639 6.440 37 1HB PHE 5 2HB PHE 5 -2.786 -9.504 9.186 38 2HB PHE 5 1HB PHE 5 -2.836 -8.103 8.129 39 HD1 PHE 5 1HD PHE 5 -3.159 -11.776 7.380 40 HD2 PHE 5 2HD PHE 5 -5.014 -7.886 7.379 41 HE1 PHE 5 1HE PHE 5 -5.170 -12.708 6.234 42 HE2 PHE 5 2HE PHE 5 -6.999 -8.817 6.237 43 HZ PHE 5 HZ PHE 5 -7.077 -11.212 5.661 44 H ASN 6 H ASN 6 -0.686 -8.896 9.818 45 HA ASN 6 HA ASN 6 0.187 -6.313 9.337 46 1HB ASN 6 2HB ASN 6 1.583 -6.645 11.422 47 2HB ASN 6 1HB ASN 6 -0.148 -6.919 11.569 48 1HD2 ASN 6 1HD2 ASN 6 -0.889 -9.142 11.872 49 2HD2 ASN 6 2HD2 ASN 6 0.193 -10.391 12.262 50 H LYS 7 H LYS 7 2.191 -9.269 9.433 51 HA LYS 7 HA LYS 7 4.623 -7.981 8.955 52 1HB LYS 7 2HB LYS 7 4.412 -10.300 9.735 53 2HB LYS 7 1HB LYS 7 3.813 -10.774 8.148 54 1HG LYS 7 2HG LYS 7 6.135 -11.300 8.110 55 2HG LYS 7 1HG LYS 7 6.000 -9.799 7.202 56 1HD LYS 7 2HD LYS 7 6.400 -9.437 10.118 57 2HD LYS 7 1HD LYS 7 7.749 -10.207 9.287 58 1HE LYS 7 2HE LYS 7 6.465 -7.585 8.450 59 2HE LYS 7 1HE LYS 7 7.978 -7.733 9.338 60 1HZ LYS 7 1HZ LYS 7 8.693 -7.582 7.175 61 2HZ LYS 7 2HZ LYS 7 7.380 -8.461 6.553 62 3HZ LYS 7 3HZ LYS 7 8.627 -9.265 7.378 63 H GLU 8 H GLU 8 2.165 -9.222 6.750 64 HA GLU 8 HA GLU 8 3.668 -8.690 4.345 65 1HB GLU 8 2HB GLU 8 1.858 -10.402 4.579 66 2HB GLU 8 1HB GLU 8 0.686 -9.102 4.774 67 1HG GLU 8 2HG GLU 8 0.781 -8.493 2.574 68 2HG GLU 8 1HG GLU 8 2.465 -8.972 2.386 69 H ARG 9 H ARG 9 1.351 -7.000 6.332 70 HA ARG 9 HA ARG 9 0.895 -4.829 4.573 71 1HB ARG 9 2HB ARG 9 0.210 -5.350 7.454 72 2HB ARG 9 1HB ARG 9 -0.150 -3.813 6.670 73 1HG ARG 9 2HG ARG 9 -1.473 -4.917 4.981 74 2HG ARG 9 1HG ARG 9 -1.027 -6.501 5.562 75 1HD ARG 9 2HD ARG 9 -3.099 -6.269 6.552 76 2HD ARG 9 1HD ARG 9 -2.084 -5.594 7.825 77 HE ARG 9 HE ARG 9 -4.050 -4.184 6.309 78 1HH1 ARG 9 1HH1 ARG 9 -2.715 -3.510 9.045 79 2HH1 ARG 9 2HH1 ARG 9 -2.032 -1.962 8.678 80 1HH2 ARG 9 1HH2 ARG 9 -2.382 -2.326 5.254 81 2HH2 ARG 9 2HH2 ARG 9 -1.838 -1.296 6.534 82 H VAL 10 H VAL 10 3.190 -5.432 7.183 83 HA VAL 10 HA VAL 10 3.990 -2.766 7.670 84 HB VAL 10 HB VAL 10 5.867 -5.145 7.716 85 1HG1 VAL 10 1HG1 VAL 10 7.236 -3.827 9.127 86 2HG1 VAL 10 2HG1 VAL 10 5.933 -2.695 9.486 87 3HG1 VAL 10 3HG1 VAL 10 6.690 -2.688 7.890 88 1HG2 VAL 10 1HG2 VAL 10 4.583 -6.024 9.330 89 2HG2 VAL 10 2HG2 VAL 10 3.593 -4.563 9.465 90 3HG2 VAL 10 3HG2 VAL 10 5.114 -4.683 10.344 91 H ILE 11 H ILE 11 5.164 -5.292 5.629 92 HA ILE 11 HA ILE 11 7.261 -3.981 4.362 93 HB ILE 11 HB ILE 11 5.406 -6.173 3.400 94 1HG1 ILE 11 2HG1 ILE 11 8.145 -6.438 4.678 95 2HG1 ILE 11 1HG1 ILE 11 6.645 -6.531 5.608 96 1HG2 ILE 11 1HG2 ILE 11 7.105 -6.776 1.828 97 2HG2 ILE 11 2HG2 ILE 11 8.223 -5.571 2.477 98 3HG2 ILE 11 3HG2 ILE 11 6.776 -5.051 1.606 99 1HD1 ILE 11 1HD1 ILE 11 7.712 -8.746 4.686 100 2HD1 ILE 11 2HD1 ILE 11 7.006 -8.245 3.149 101 3HD1 ILE 11 3HD1 ILE 11 5.967 -8.520 4.551 102 H ALA 12 H ALA 12 3.913 -4.477 3.470 103 HA ALA 12 HA ALA 12 3.965 -3.040 1.038 104 1HB ALA 12 1HB ALA 12 1.416 -3.168 1.513 105 2HB ALA 12 2HB ALA 12 1.925 -4.205 2.862 106 3HB ALA 12 3HB ALA 12 2.347 -4.632 1.194 107 H ILE 13 H ILE 13 2.669 -2.140 4.266 108 HA ILE 13 HA ILE 13 1.699 0.383 3.476 109 HB ILE 13 HB ILE 13 1.146 -0.809 5.641 110 1HG1 ILE 13 2HG1 ILE 13 1.813 2.036 5.262 111 2HG1 ILE 13 1HG1 ILE 13 0.334 1.305 5.860 112 1HG2 ILE 13 1HG2 ILE 13 3.747 0.333 6.689 113 2HG2 ILE 13 2HG2 ILE 13 3.637 -1.307 6.082 114 3HG2 ILE 13 3HG2 ILE 13 2.668 -0.828 7.461 115 1HD1 ILE 13 1HD1 ILE 13 1.274 2.579 7.665 116 2HD1 ILE 13 2HD1 ILE 13 2.870 1.868 7.401 117 3HD1 ILE 13 3HD1 ILE 13 1.554 0.875 8.035 118 H GLY 14 H GLY 14 4.765 -0.827 4.581 119 1HA GLY 14 2HA GLY 14 6.110 1.622 4.863 120 2HA GLY 14 1HA GLY 14 6.865 0.033 4.662 121 H GLU 15 H GLU 15 5.553 -0.645 2.165 122 HA GLU 15 HA GLU 15 7.321 0.632 0.321 123 1HB GLU 15 2HB GLU 15 4.900 -1.144 -0.056 124 2HB GLU 15 1HB GLU 15 5.898 -0.583 -1.391 125 1HG GLU 15 2HG GLU 15 7.485 -1.783 0.757 126 2HG GLU 15 1HG GLU 15 6.283 -2.901 0.098 127 H ILE 16 H ILE 16 3.836 0.715 0.881 128 HA ILE 16 HA ILE 16 3.289 2.569 -1.141 129 HB ILE 16 HB ILE 16 1.708 1.365 1.072 130 1HG1 ILE 16 2HG1 ILE 16 1.373 1.338 -1.927 131 2HG1 ILE 16 1HG1 ILE 16 2.454 0.239 -1.093 132 1HG2 ILE 16 1HG2 ILE 16 -0.109 2.700 0.804 133 2HG2 ILE 16 2HG2 ILE 16 0.151 2.892 -0.940 134 3HG2 ILE 16 3HG2 ILE 16 1.025 3.907 0.206 135 1HD1 ILE 16 1HD1 ILE 16 0.007 0.135 0.297 136 2HD1 ILE 16 2HD1 ILE 16 0.709 -1.107 -0.735 137 3HD1 ILE 16 3HD1 ILE 16 -0.385 0.089 -1.426 138 H MET 17 H MET 17 3.760 2.958 2.318 139 HA MET 17 HA MET 17 2.951 5.655 2.505 140 1HB MET 17 2HB MET 17 4.772 3.924 4.190 141 2HB MET 17 1HB MET 17 4.444 5.616 4.597 142 1HG MET 17 2HG MET 17 2.259 3.569 4.119 143 2HG MET 17 1HG MET 17 2.900 3.933 5.717 144 1HE MET 17 1HE MET 17 -0.031 4.283 3.818 145 2HE MET 17 2HE MET 17 -0.793 5.448 4.904 146 3HE MET 17 3HE MET 17 0.054 4.052 5.569 147 H ARG 18 H ARG 18 5.790 4.219 1.171 148 HA ARG 18 HA ARG 18 7.582 6.435 1.441 149 1HB ARG 18 2HB ARG 18 8.365 4.138 1.052 150 2HB ARG 18 1HB ARG 18 7.544 4.113 -0.506 151 1HG ARG 18 2HG ARG 18 8.965 6.008 -1.267 152 2HG ARG 18 1HG ARG 18 9.822 5.959 0.277 153 1HD ARG 18 2HD ARG 18 10.423 3.574 -0.198 154 2HD ARG 18 1HD ARG 18 9.667 3.739 -1.780 155 HE ARG 18 HE ARG 18 11.480 5.059 -2.475 156 1HH1 ARG 18 1HH1 ARG 18 11.904 6.916 -0.255 157 2HH1 ARG 18 2HH1 ARG 18 13.387 6.375 0.460 158 1HH2 ARG 18 1HH2 ARG 18 13.275 3.256 -1.041 159 2HH2 ARG 18 2HH2 ARG 18 14.162 4.304 0.013 160 H LEU 19 H LEU 19 5.254 5.365 -0.928 161 HA LEU 19 HA LEU 19 5.818 6.763 -3.182 162 1HB LEU 19 2HB LEU 19 3.048 6.427 -2.052 163 2HB LEU 19 1HB LEU 19 3.503 6.564 -3.751 164 HG LEU 19 HG LEU 19 4.406 4.332 -1.902 165 1HD1 LEU 19 1HD1 LEU 19 2.838 2.912 -2.978 166 2HD1 LEU 19 2HD1 LEU 19 2.424 4.155 -4.164 167 3HD1 LEU 19 3HD1 LEU 19 1.946 4.346 -2.477 168 1HD2 LEU 19 1HD2 LEU 19 4.967 5.073 -4.746 169 2HD2 LEU 19 2HD2 LEU 19 4.895 3.362 -4.305 170 3HD2 LEU 19 3HD2 LEU 19 6.053 4.428 -3.503 171 HA PRO 20 HA PRO 20 5.324 11.006 -1.602 172 1HB PRO 20 2HB PRO 20 6.874 11.937 -3.843 173 2HB PRO 20 1HB PRO 20 7.380 11.800 -2.152 174 1HG PRO 20 2HG PRO 20 8.346 10.294 -4.263 175 2HG PRO 20 1HG PRO 20 8.512 9.897 -2.543 176 1HD PRO 20 2HD PRO 20 6.632 8.776 -4.570 177 2HD PRO 20 1HD PRO 20 7.358 8.002 -3.144 178 H ASN 21 H ASN 21 4.555 9.577 -4.660 179 HA ASN 21 HA ASN 21 3.268 11.992 -5.691 180 1HB ASN 21 2HB ASN 21 3.769 9.277 -6.859 181 2HB ASN 21 1HB ASN 21 2.842 10.507 -7.694 182 1HD2 ASN 21 1HD2 ASN 21 5.625 9.323 -8.249 183 2HD2 ASN 21 2HD2 ASN 21 6.634 10.680 -8.375 184 H LEU 22 H LEU 22 2.234 10.405 -3.361 185 HA LEU 22 HA LEU 22 -0.545 10.144 -4.320 186 1HB LEU 22 2HB LEU 22 0.929 8.349 -2.382 187 2HB LEU 22 1HB LEU 22 -0.820 8.313 -2.627 188 HG LEU 22 HG LEU 22 1.048 8.045 -4.976 189 1HD1 LEU 22 1HD1 LEU 22 1.100 6.293 -2.804 190 2HD1 LEU 22 2HD1 LEU 22 1.654 5.959 -4.442 191 3HD1 LEU 22 3HD1 LEU 22 0.019 5.518 -3.961 192 1HD2 LEU 22 1HD2 LEU 22 -1.292 6.412 -5.018 193 2HD2 LEU 22 2HD2 LEU 22 -0.910 7.808 -6.050 194 3HD2 LEU 22 3HD2 LEU 22 -1.777 8.038 -4.516 195 H ASN 23 H ASN 23 -2.126 10.878 -2.885 196 HA ASN 23 HA ASN 23 -1.121 12.631 -0.753 197 1HB ASN 23 2HB ASN 23 -3.755 12.829 -0.405 198 2HB ASN 23 1HB ASN 23 -2.930 13.745 -1.659 199 1HD2 ASN 23 1HD2 ASN 23 -3.376 13.217 -3.863 200 2HD2 ASN 23 2HD2 ASN 23 -4.540 12.063 -4.307 201 H SER 24 H SER 24 -1.917 12.344 1.431 202 HA SER 24 HA SER 24 -1.306 9.860 2.413 203 1HB SER 24 2HB SER 24 -3.213 11.817 3.660 204 2HB SER 24 1HB SER 24 -2.347 10.513 4.485 205 HG SER 24 HG SER 24 -0.398 11.554 3.781 206 H LEU 25 H LEU 25 -4.451 11.029 1.304 207 HA LEU 25 HA LEU 25 -6.060 8.932 2.295 208 1HB LEU 25 2HB LEU 25 -6.298 10.619 -0.198 209 2HB LEU 25 1HB LEU 25 -7.542 9.510 0.357 210 HG LEU 25 HG LEU 25 -7.648 10.794 2.517 211 1HD1 LEU 25 1HD1 LEU 25 -6.709 13.225 2.179 212 2HD1 LEU 25 2HD1 LEU 25 -5.589 12.446 1.062 213 3HD1 LEU 25 3HD1 LEU 25 -5.625 11.961 2.759 214 1HD2 LEU 25 1HD2 LEU 25 -8.241 11.936 -0.180 215 2HD2 LEU 25 2HD2 LEU 25 -8.533 12.945 1.242 216 3HD2 LEU 25 3HD2 LEU 25 -9.359 11.393 1.073 217 H GLN 26 H GLN 26 -4.409 9.278 -0.865 218 HA GLN 26 HA GLN 26 -5.248 6.792 -1.861 219 1HB GLN 26 2HB GLN 26 -2.945 8.563 -2.458 220 2HB GLN 26 1HB GLN 26 -3.251 7.086 -3.343 221 1HG GLN 26 2HG GLN 26 -5.322 7.855 -4.168 222 2HG GLN 26 1HG GLN 26 -5.442 9.107 -2.925 223 1HE2 GLN 26 1HE2 GLN 26 -5.710 9.542 -5.763 224 2HE2 GLN 26 2HE2 GLN 26 -4.451 10.575 -6.242 225 H VAL 27 H VAL 27 -2.411 7.937 -0.211 226 HA VAL 27 HA VAL 27 -0.858 5.632 -0.110 227 HB VAL 27 HB VAL 27 -1.211 8.074 1.618 228 1HG1 VAL 27 1HG1 VAL 27 0.302 5.650 2.307 229 2HG1 VAL 27 2HG1 VAL 27 -0.329 6.948 3.337 230 3HG1 VAL 27 3HG1 VAL 27 1.184 7.171 2.456 231 1HG2 VAL 27 1HG2 VAL 27 1.258 8.314 0.773 232 2HG2 VAL 27 2HG2 VAL 27 -0.071 8.669 -0.330 233 3HG2 VAL 27 3HG2 VAL 27 0.769 7.121 -0.430 234 H VAL 28 H VAL 28 -3.385 6.900 1.941 235 HA VAL 28 HA VAL 28 -3.338 4.737 3.810 236 HB VAL 28 HB VAL 28 -5.359 6.924 3.459 237 1HG1 VAL 28 1HG1 VAL 28 -5.973 6.237 5.807 238 2HG1 VAL 28 2HG1 VAL 28 -4.898 4.847 5.635 239 3HG1 VAL 28 3HG1 VAL 28 -6.340 4.980 4.622 240 1HG2 VAL 28 1HG2 VAL 28 -3.503 6.721 5.764 241 2HG2 VAL 28 2HG2 VAL 28 -3.970 8.145 4.828 242 3HG2 VAL 28 3HG2 VAL 28 -2.725 7.046 4.212 243 H ALA 29 H ALA 29 -5.094 5.526 0.977 244 HA ALA 29 HA ALA 29 -7.234 3.758 1.044 245 1HB ALA 29 1HB ALA 29 -6.507 5.550 -0.699 246 2HB ALA 29 2HB ALA 29 -7.316 4.088 -1.273 247 3HB ALA 29 3HB ALA 29 -5.557 4.238 -1.414 248 H PHE 30 H PHE 30 -3.877 3.424 0.167 249 HA PHE 30 HA PHE 30 -4.036 0.764 -0.698 250 1HB PHE 30 2HB PHE 30 -1.889 2.680 0.039 251 2HB PHE 30 1HB PHE 30 -1.529 0.986 -0.194 252 HD1 PHE 30 1HD PHE 30 -2.008 4.067 -1.805 253 HD2 PHE 30 2HD PHE 30 -2.534 -0.151 -2.324 254 HE1 PHE 30 1HE PHE 30 -2.264 4.418 -4.181 255 HE2 PHE 30 2HE PHE 30 -2.699 0.183 -4.755 256 HZ PHE 30 HZ PHE 30 -2.596 2.468 -5.718 257 H ILE 31 H ILE 31 -3.341 2.403 2.402 258 HA ILE 31 HA ILE 31 -2.411 0.116 3.778 259 HB ILE 31 HB ILE 31 -4.287 2.227 4.917 260 1HG1 ILE 31 2HG1 ILE 31 -1.266 2.156 5.020 261 2HG1 ILE 31 1HG1 ILE 31 -2.189 3.185 3.932 262 1HG2 ILE 31 1HG2 ILE 31 -2.255 0.480 6.333 263 2HG2 ILE 31 2HG2 ILE 31 -3.978 0.108 6.261 264 3HG2 ILE 31 3HG2 ILE 31 -3.424 1.569 7.075 265 1HD1 ILE 31 1HD1 ILE 31 -1.573 3.638 6.698 266 2HD1 ILE 31 2HD1 ILE 31 -3.321 3.472 6.533 267 3HD1 ILE 31 3HD1 ILE 31 -2.462 4.686 5.598 268 H ASN 32 H ASN 32 -5.562 1.341 2.900 269 HA ASN 32 HA ASN 32 -7.168 -0.570 4.263 270 1HB ASN 32 2HB ASN 32 -7.650 1.749 2.928 271 2HB ASN 32 1HB ASN 32 -8.171 0.575 1.725 272 1HD2 ASN 32 1HD2 ASN 32 -9.394 2.399 4.188 273 2HD2 ASN 32 2HD2 ASN 32 -10.669 1.395 4.689 274 H SER 33 H SER 33 -5.895 -0.455 0.938 275 HA SER 33 HA SER 33 -7.262 -2.706 -0.008 276 1HB SER 33 2HB SER 33 -4.527 -1.797 -0.878 277 2HB SER 33 1HB SER 33 -5.728 -2.680 -1.816 278 HG SER 33 HG SER 33 -6.124 -0.094 -0.716 279 H LEU 34 H LEU 34 -4.217 -2.394 1.744 280 HA LEU 34 HA LEU 34 -3.255 -5.032 1.388 281 1HB LEU 34 2HB LEU 34 -2.852 -3.723 4.052 282 2HB LEU 34 1HB LEU 34 -1.730 -4.673 3.086 283 HG LEU 34 HG LEU 34 -2.568 -1.818 2.657 284 1HD1 LEU 34 1HD1 LEU 34 -0.827 -1.705 4.152 285 2HD1 LEU 34 2HD1 LEU 34 0.077 -1.724 2.638 286 3HD1 LEU 34 3HD1 LEU 34 -0.099 -3.204 3.578 287 1HD2 LEU 34 1HD2 LEU 34 -2.368 -2.383 0.437 288 2HD2 LEU 34 2HD2 LEU 34 -1.378 -3.795 0.785 289 3HD2 LEU 34 3HD2 LEU 34 -0.655 -2.188 0.796 290 H ARG 35 H ARG 35 -5.344 -3.701 3.947 291 HA ARG 35 HA ARG 35 -5.656 -6.233 5.262 292 1HB ARG 35 2HB ARG 35 -7.512 -5.078 6.502 293 2HB ARG 35 1HB ARG 35 -5.943 -4.295 6.591 294 1HG ARG 35 2HG ARG 35 -6.583 -2.663 4.917 295 2HG ARG 35 1HG ARG 35 -8.113 -3.493 4.647 296 1HD ARG 35 2HD ARG 35 -7.317 -2.362 7.337 297 2HD ARG 35 1HD ARG 35 -8.225 -1.437 6.146 298 HE ARG 35 HE ARG 35 -9.359 -3.269 7.911 299 1HH1 ARG 35 1HH2 ARG 35 -10.854 -1.500 5.904 300 2HH1 ARG 35 2HH2 ARG 35 -11.708 -2.686 4.978 301 1HH2 ARG 35 1HH1 ARG 35 -9.772 -5.333 6.091 302 2HH2 ARG 35 2HH1 ARG 35 -11.097 -4.855 5.083 303 H ASP 36 H ASP 36 -7.388 -4.459 2.812 304 HA ASP 36 HA ASP 36 -9.718 -6.094 2.733 305 1HB ASP 36 2HB ASP 36 -8.410 -4.354 0.612 306 2HB ASP 36 1HB ASP 36 -9.998 -5.095 0.450 307 H ASP 37 H ASP 37 -6.455 -6.398 1.764 308 HA ASP 37 HA ASP 37 -6.723 -9.124 0.974 309 1HB ASP 37 2HB ASP 37 -7.650 -7.791 -1.032 310 2HB ASP 37 1HB ASP 37 -5.982 -7.320 -1.318 311 HA PRO 38 HA PRO 38 -2.481 -7.930 2.250 312 1HB PRO 38 2HB PRO 38 -2.162 -10.574 3.348 313 2HB PRO 38 1HB PRO 38 -2.300 -9.033 4.204 314 1HG PRO 38 2HG PRO 38 -4.180 -11.061 4.183 315 2HG PRO 38 1HG PRO 38 -4.445 -9.390 4.687 316 1HD PRO 38 2HD PRO 38 -5.270 -10.739 2.179 317 2HD PRO 38 1HD PRO 38 -5.985 -9.333 2.999 318 H SER 39 H SER 39 -3.545 -10.928 0.675 319 HA SER 39 HA SER 39 -0.998 -11.780 -0.230 320 1HB SER 39 2HB SER 39 -2.163 -13.279 -1.674 321 2HB SER 39 1HB SER 39 -3.145 -13.155 -0.219 322 HG SER 39 HG SER 39 -4.178 -11.336 -1.519 323 H GLN 40 H GLN 40 -3.237 -9.360 -1.237 324 HA GLN 40 HA GLN 40 -1.823 -8.893 -3.748 325 1HB GLN 40 2HB GLN 40 -4.372 -7.768 -2.595 326 2HB GLN 40 1HB GLN 40 -3.634 -7.143 -4.068 327 1HG GLN 40 2HG GLN 40 -3.745 -9.398 -5.080 328 2HG GLN 40 1HG GLN 40 -4.503 -10.017 -3.621 329 1HE2 GLN 40 1HE2 GLN 40 -5.811 -7.008 -3.787 330 2HE2 GLN 40 2HE2 GLN 40 -7.166 -7.327 -4.756 331 H SER 41 H SER 41 -1.197 -8.134 -0.656 332 HA SER 41 HA SER 41 -0.912 -5.346 -0.525 333 1HB SER 41 2HB SER 41 0.620 -5.716 1.274 334 2HB SER 41 1HB SER 41 -0.480 -7.076 1.356 335 HG SER 41 HG SER 41 1.980 -7.369 1.327 336 H ALA 42 H ALA 42 0.918 -7.853 -2.033 337 HA ALA 42 HA ALA 42 3.262 -6.496 -2.781 338 1HB ALA 42 1HB ALA 42 1.865 -8.738 -4.234 339 2HB ALA 42 2HB ALA 42 2.848 -8.983 -2.781 340 3HB ALA 42 3HB ALA 42 3.594 -8.369 -4.259 341 H ASN 43 H ASN 43 0.190 -7.045 -4.356 342 HA ASN 43 HA ASN 43 0.819 -5.900 -6.890 343 1HB ASN 43 2HB ASN 43 -1.686 -6.539 -5.386 344 2HB ASN 43 1HB ASN 43 -1.692 -5.943 -7.042 345 1HD2 ASN 43 1HD2 ASN 43 -2.774 -8.504 -6.463 346 2HD2 ASN 43 2HD2 ASN 43 -1.761 -9.699 -7.117 347 H LEU 44 H LEU 44 -0.602 -4.871 -3.926 348 HA LEU 44 HA LEU 44 -1.775 -2.511 -4.805 349 1HB LEU 44 2HB LEU 44 -0.967 -3.497 -2.114 350 2HB LEU 44 1HB LEU 44 -1.856 -1.997 -2.343 351 HG LEU 44 HG LEU 44 -2.750 -4.546 -3.659 352 1HD1 LEU 44 1HD1 LEU 44 -3.297 -3.658 -0.848 353 2HD1 LEU 44 2HD1 LEU 44 -2.864 -5.257 -1.440 354 3HD1 LEU 44 3HD1 LEU 44 -4.472 -4.615 -1.744 355 1HD2 LEU 44 1HD2 LEU 44 -4.067 -1.945 -2.934 356 2HD2 LEU 44 2HD2 LEU 44 -4.927 -3.341 -3.591 357 3HD2 LEU 44 3HD2 LEU 44 -3.678 -2.545 -4.552 358 H LEU 45 H LEU 45 1.483 -3.001 -3.438 359 HA LEU 45 HA LEU 45 1.911 -0.139 -3.514 360 1HB LEU 45 2HB LEU 45 4.465 -1.368 -3.970 361 2HB LEU 45 1HB LEU 45 3.943 -0.414 -2.601 362 HG LEU 45 HG LEU 45 4.764 -2.530 -1.849 363 1HD1 LEU 45 1HD1 LEU 45 2.820 -3.344 -0.623 364 2HD1 LEU 45 2HD1 LEU 45 1.755 -2.461 -1.700 365 3HD1 LEU 45 3HD1 LEU 45 2.862 -1.584 -0.657 366 1HD2 LEU 45 1HD2 LEU 45 4.390 -4.490 -2.903 367 2HD2 LEU 45 2HD2 LEU 45 3.921 -3.445 -4.251 368 3HD2 LEU 45 3HD2 LEU 45 2.697 -4.125 -3.189 369 H ALA 46 H ALA 46 2.114 -2.842 -5.643 370 HA ALA 46 HA ALA 46 3.562 -1.670 -7.772 371 1HB ALA 46 1HB ALA 46 2.429 -4.113 -7.333 372 2HB ALA 46 2HB ALA 46 2.980 -3.558 -8.918 373 3HB ALA 46 3HB ALA 46 1.278 -3.411 -8.471 374 H GLU 47 H GLU 47 0.152 -1.820 -6.931 375 HA GLU 47 HA GLU 47 -0.931 -0.318 -9.058 376 1HB GLU 47 2HB GLU 47 -1.693 -1.316 -6.363 377 2HB GLU 47 1HB GLU 47 -2.593 0.094 -6.930 378 1HG GLU 47 2HG GLU 47 -3.545 -1.048 -8.701 379 2HG GLU 47 1HG GLU 47 -2.228 -2.217 -8.799 380 H ALA 48 H ALA 48 0.047 0.366 -5.801 381 HA ALA 48 HA ALA 48 -0.450 3.103 -5.687 382 1HB ALA 48 1HB ALA 48 0.666 3.048 -3.677 383 2HB ALA 48 2HB ALA 48 1.829 1.848 -4.250 384 3HB ALA 48 3HB ALA 48 0.183 1.370 -3.859 385 H LYS 49 H LYS 49 2.437 1.288 -6.583 386 HA LYS 49 HA LYS 49 4.089 3.557 -7.100 387 1HB LYS 49 2HB LYS 49 4.180 0.672 -8.020 388 2HB LYS 49 1HB LYS 49 5.376 1.860 -8.538 389 1HG LYS 49 2HG LYS 49 6.067 2.273 -6.264 390 2HG LYS 49 1HG LYS 49 4.742 1.315 -5.620 391 1HD LYS 49 2HD LYS 49 5.735 -0.681 -6.859 392 2HD LYS 49 1HD LYS 49 7.147 0.328 -7.176 393 1HE LYS 49 2HE LYS 49 7.494 0.640 -4.762 394 2HE LYS 49 1HE LYS 49 6.048 -0.305 -4.416 395 1HZ LYS 49 1HZ LYS 49 7.203 -2.114 -5.778 396 2HZ LYS 49 2HZ LYS 49 7.758 -1.825 -4.199 397 3HZ LYS 49 3HZ LYS 49 8.620 -1.216 -5.531 398 H LYS 50 H LYS 50 1.712 1.690 -8.926 399 HA LYS 50 HA LYS 50 2.204 2.988 -11.444 400 1HB LYS 50 2HB LYS 50 -0.130 1.369 -10.377 401 2HB LYS 50 1HB LYS 50 -0.188 2.140 -11.954 402 1HG LYS 50 2HG LYS 50 1.416 -0.224 -11.042 403 2HG LYS 50 1HG LYS 50 0.506 0.001 -12.515 404 1HD LYS 50 2HD LYS 50 2.601 0.167 -13.410 405 2HD LYS 50 1HD LYS 50 2.416 1.853 -12.950 406 1HE LYS 50 2HE LYS 50 3.352 0.543 -10.624 407 2HE LYS 50 1HE LYS 50 4.292 -0.134 -11.950 408 1HZ LYS 50 1HZ LYS 50 5.444 1.734 -12.094 409 2HZ LYS 50 2HZ LYS 50 4.632 2.325 -10.724 410 3HZ LYS 50 3HZ LYS 50 4.035 2.659 -12.279 411 H LEU 51 H LEU 51 0.209 3.535 -8.634 412 HA LEU 51 HA LEU 51 -1.421 5.649 -9.627 413 1HB LEU 51 2HB LEU 51 -0.698 4.511 -6.988 414 2HB LEU 51 1HB LEU 51 -1.281 6.147 -7.005 415 HG LEU 51 HG LEU 51 -3.020 4.400 -6.609 416 1HD1 LEU 51 1HD1 LEU 51 -4.493 5.449 -8.591 417 2HD1 LEU 51 2HD1 LEU 51 -3.113 6.548 -8.645 418 3HD1 LEU 51 3HD1 LEU 51 -4.029 6.358 -7.145 419 1HD2 LEU 51 1HD2 LEU 51 -2.106 3.548 -9.324 420 2HD2 LEU 51 2HD2 LEU 51 -3.831 3.453 -8.979 421 3HD2 LEU 51 3HD2 LEU 51 -2.677 2.573 -7.968 422 H ASN 52 H ASN 52 1.577 5.443 -7.805 423 HA ASN 52 HA ASN 52 2.011 8.138 -7.306 424 1HB ASN 52 2HB ASN 52 3.384 6.843 -6.030 425 2HB ASN 52 1HB ASN 52 3.466 5.578 -7.244 426 1HD2 ASN 52 1HD2 ASN 52 5.170 8.153 -5.826 427 2HD2 ASN 52 2HD2 ASN 52 6.477 8.192 -6.905 428 H ASP 53 H ASP 53 3.139 6.002 -9.860 429 HA ASP 53 HA ASP 53 4.516 7.996 -11.286 430 1HB ASP 53 2HB ASP 53 3.524 5.250 -12.028 431 2HB ASP 53 1HB ASP 53 4.453 6.256 -13.139 432 H ALA 54 H ALA 54 1.269 6.691 -11.364 433 HA ALA 54 HA ALA 54 0.482 7.848 -13.870 434 1HB ALA 54 1HB ALA 54 -1.800 7.281 -13.056 435 2HB ALA 54 2HB ALA 54 -1.072 6.828 -11.515 436 3HB ALA 54 3HB ALA 54 -0.660 5.936 -12.985 437 H GLN 55 H GLN 55 0.006 8.843 -10.481 438 HA GLN 55 HA GLN 55 -1.648 11.088 -11.253 439 1HB GLN 55 2HB GLN 55 -0.402 10.240 -8.641 440 2HB GLN 55 1HB GLN 55 -1.492 11.614 -8.821 441 1HG GLN 55 2HG GLN 55 -3.289 10.189 -9.557 442 2HG GLN 55 1HG GLN 55 -2.215 8.795 -9.659 443 1HE2 GLN 55 1HE2 GLN 55 -1.349 10.673 -6.965 444 2HE2 GLN 55 2HE2 GLN 55 -2.185 9.759 -5.797 445 H ALA 56 H ALA 56 1.541 10.617 -9.833 446 HA ALA 56 HA ALA 56 3.252 12.163 -9.406 447 1HB ALA 56 1HB ALA 56 3.551 11.525 -11.794 448 2HB ALA 56 2HB ALA 56 4.118 13.162 -11.456 449 3HB ALA 56 3HB ALA 56 2.569 12.914 -12.264 450 HA PRO 57 HA PRO 57 -0.292 15.191 -8.397 451 1HB PRO 57 2HB PRO 57 1.289 15.829 -6.057 452 2HB PRO 57 1HB PRO 57 -0.278 15.007 -6.151 453 1HG PRO 57 2HG PRO 57 2.423 13.880 -5.950 454 2HG PRO 57 1HG PRO 57 0.863 13.178 -5.490 455 1HD PRO 57 2HD PRO 57 2.213 12.286 -7.640 456 2HD PRO 57 1HD PRO 57 0.441 12.372 -7.651 457 H LYS 58 H LYS 58 0.074 16.703 -9.939 458 HA LYS 58 HA LYS 58 2.488 18.259 -10.138 459 1HB LYS 58 2HB LYS 58 -0.221 18.652 -11.445 460 2HB LYS 58 1HB LYS 58 1.268 19.484 -11.895 461 1HG LYS 58 2HG LYS 58 2.315 17.259 -12.366 462 2HG LYS 58 1HG LYS 58 0.759 16.495 -12.039 463 1HD LYS 58 2HD LYS 58 -0.249 17.943 -13.840 464 2HD LYS 58 1HD LYS 58 1.380 18.489 -14.238 465 1HE LYS 58 2HE LYS 58 0.371 15.628 -14.341 466 2HE LYS 58 1HE LYS 58 0.758 16.651 -15.724 467 1HZ LYS 58 1HZ LYS 58 2.630 15.300 -15.368 468 2HZ LYS 58 2HZ LYS 58 2.611 15.556 -13.688 469 3HZ LYS 58 3HZ LYS 58 3.054 16.816 -14.738 Start of MODEL 11 1 1H VAL 1 1HT VAL 1 2.209 -12.702 14.552 2 2H VAL 1 2HT VAL 1 1.869 -13.910 15.697 3 3H VAL 1 3HT VAL 1 1.919 -12.278 16.168 4 HA VAL 1 HA VAL 1 -0.350 -12.839 16.036 5 HB VAL 1 HB VAL 1 0.448 -11.453 13.448 6 1HG1 VAL 1 1HG1 VAL 1 -2.119 -11.707 14.996 7 2HG1 VAL 1 2HG1 VAL 1 -1.856 -11.761 13.254 8 3HG1 VAL 1 3HG1 VAL 1 -1.797 -10.220 14.104 9 1HG2 VAL 1 1HG2 VAL 1 0.149 -9.365 14.852 10 2HG2 VAL 1 2HG2 VAL 1 1.547 -10.341 15.296 11 3HG2 VAL 1 3HG2 VAL 1 0.081 -10.404 16.275 12 H ASP 2 H ASP 2 -1.945 -14.145 15.238 13 HA ASP 2 HA ASP 2 -1.286 -16.463 13.789 14 1HB ASP 2 2HB ASP 2 -3.658 -16.940 13.794 15 2HB ASP 2 1HB ASP 2 -3.234 -16.218 15.344 16 H ASN 3 H ASN 3 -2.619 -13.372 12.795 17 HA ASN 3 HA ASN 3 -2.967 -14.226 10.024 18 1HB ASN 3 2HB ASN 3 -3.352 -11.495 11.285 19 2HB ASN 3 1HB ASN 3 -3.879 -11.990 9.679 20 1HD2 ASN 3 1HD2 ASN 3 -5.190 -14.319 9.954 21 2HD2 ASN 3 2HD2 ASN 3 -6.429 -14.229 11.109 22 H LYS 4 H LYS 4 -1.532 -13.861 8.447 23 HA LYS 4 HA LYS 4 1.030 -12.684 9.111 24 1HB LYS 4 2HB LYS 4 0.101 -13.813 6.466 25 2HB LYS 4 1HB LYS 4 1.764 -13.481 6.938 26 1HG LYS 4 2HG LYS 4 -0.044 -15.467 8.359 27 2HG LYS 4 1HG LYS 4 1.145 -15.905 7.138 28 1HD LYS 4 2HD LYS 4 2.674 -16.053 8.792 29 2HD LYS 4 1HD LYS 4 2.571 -14.303 8.961 30 1HE LYS 4 2HE LYS 4 2.168 -15.334 11.133 31 2HE LYS 4 1HE LYS 4 0.666 -14.614 10.559 32 1HZ LYS 4 1HZ LYS 4 0.730 -17.186 9.549 33 2HZ LYS 4 2HZ LYS 4 -0.267 -16.593 10.790 34 3HZ LYS 4 3HZ LYS 4 1.222 -17.321 11.166 35 H PHE 5 H PHE 5 -1.756 -11.337 8.442 36 HA PHE 5 HA PHE 5 -1.561 -9.641 6.265 37 1HB PHE 5 2HB PHE 5 -2.760 -9.324 9.004 38 2HB PHE 5 1HB PHE 5 -2.802 -8.017 7.839 39 HD1 PHE 5 1HD PHE 5 -5.026 -7.832 7.216 40 HD2 PHE 5 2HD PHE 5 -3.175 -11.722 7.303 41 HE1 PHE 5 1HE PHE 5 -7.062 -8.811 6.220 42 HE2 PHE 5 2HE PHE 5 -5.226 -12.695 6.288 43 HZ PHE 5 HZ PHE 5 -7.164 -11.228 5.749 44 H ASN 6 H ASN 6 -0.722 -8.867 9.639 45 HA ASN 6 HA ASN 6 0.219 -6.307 9.256 46 1HB ASN 6 2HB ASN 6 1.231 -8.328 11.249 47 2HB ASN 6 1HB ASN 6 1.409 -6.580 11.362 48 1HD2 ASN 6 1HD2 ASN 6 -0.286 -8.827 12.871 49 2HD2 ASN 6 2HD2 ASN 6 -1.797 -8.073 13.032 50 H LYS 7 H LYS 7 2.137 -9.313 9.231 51 HA LYS 7 HA LYS 7 4.647 -8.136 8.841 52 1HB LYS 7 2HB LYS 7 4.190 -10.468 9.500 53 2HB LYS 7 1HB LYS 7 3.665 -10.807 7.858 54 1HG LYS 7 2HG LYS 7 6.381 -9.593 8.343 55 2HG LYS 7 1HG LYS 7 6.152 -11.322 8.579 56 1HD LYS 7 2HD LYS 7 5.554 -9.794 6.036 57 2HD LYS 7 1HD LYS 7 6.937 -10.840 6.295 58 1HE LYS 7 2HE LYS 7 5.680 -12.540 5.500 59 2HE LYS 7 1HE LYS 7 4.718 -12.425 6.974 60 1HZ LYS 7 1HZ LYS 7 4.226 -10.778 4.552 61 2HZ LYS 7 2HZ LYS 7 3.231 -10.920 5.922 62 3HZ LYS 7 3HZ LYS 7 3.427 -12.240 4.871 63 H GLU 8 H GLU 8 2.197 -9.212 6.509 64 HA GLU 8 HA GLU 8 3.779 -8.529 4.200 65 1HB GLU 8 2HB GLU 8 1.862 -10.199 4.298 66 2HB GLU 8 1HB GLU 8 0.767 -8.824 4.408 67 1HG GLU 8 2HG GLU 8 0.906 -9.478 2.094 68 2HG GLU 8 1HG GLU 8 1.741 -7.943 2.283 69 H ARG 9 H ARG 9 1.386 -6.977 6.190 70 HA ARG 9 HA ARG 9 0.954 -4.699 4.596 71 1HB ARG 9 2HB ARG 9 0.322 -5.384 7.450 72 2HB ARG 9 1HB ARG 9 -0.022 -3.789 6.782 73 1HG ARG 9 2HG ARG 9 -1.421 -4.724 5.075 74 2HG ARG 9 1HG ARG 9 -0.954 -6.362 5.472 75 1HD ARG 9 2HD ARG 9 -2.981 -6.253 6.562 76 2HD ARG 9 1HD ARG 9 -1.932 -5.678 7.856 77 HE ARG 9 HE ARG 9 -4.003 -4.196 6.642 78 1HH1 ARG 9 1HH2 ARG 9 -2.272 -3.586 9.170 79 2HH1 ARG 9 2HH2 ARG 9 -1.680 -2.011 8.758 80 1HH2 ARG 9 1HH1 ARG 9 -2.552 -2.274 5.416 81 2HH2 ARG 9 2HH1 ARG 9 -1.836 -1.272 6.632 82 H VAL 10 H VAL 10 3.295 -5.452 7.113 83 HA VAL 10 HA VAL 10 4.117 -2.810 7.692 84 HB VAL 10 HB VAL 10 5.979 -5.197 7.630 85 1HG1 VAL 10 1HG1 VAL 10 6.081 -2.846 9.519 86 2HG1 VAL 10 2HG1 VAL 10 6.776 -2.724 7.900 87 3HG1 VAL 10 3HG1 VAL 10 7.381 -3.936 9.037 88 1HG2 VAL 10 1HG2 VAL 10 4.670 -6.139 9.203 89 2HG2 VAL 10 2HG2 VAL 10 3.732 -4.657 9.446 90 3HG2 VAL 10 3HG2 VAL 10 5.269 -4.875 10.278 91 H ILE 11 H ILE 11 5.254 -5.280 5.560 92 HA ILE 11 HA ILE 11 7.328 -3.917 4.299 93 HB ILE 11 HB ILE 11 5.503 -6.110 3.284 94 1HG1 ILE 11 2HG1 ILE 11 8.228 -6.405 4.583 95 2HG1 ILE 11 1HG1 ILE 11 6.727 -6.496 5.509 96 1HG2 ILE 11 1HG2 ILE 11 8.317 -5.397 2.421 97 2HG2 ILE 11 2HG2 ILE 11 6.857 -4.986 1.517 98 3HG2 ILE 11 3HG2 ILE 11 7.298 -6.683 1.766 99 1HD1 ILE 11 1HD1 ILE 11 5.986 -8.420 4.313 100 2HD1 ILE 11 2HD1 ILE 11 7.689 -8.724 4.657 101 3HD1 ILE 11 3HD1 ILE 11 7.197 -8.195 3.046 102 H ALA 12 H ALA 12 3.974 -4.448 3.430 103 HA ALA 12 HA ALA 12 3.997 -2.975 1.023 104 1HB ALA 12 1HB ALA 12 1.460 -3.134 1.460 105 2HB ALA 12 2HB ALA 12 1.945 -4.141 2.838 106 3HB ALA 12 3HB ALA 12 2.399 -4.602 1.189 107 H ILE 13 H ILE 13 2.724 -2.115 4.278 108 HA ILE 13 HA ILE 13 1.745 0.414 3.503 109 HB ILE 13 HB ILE 13 1.212 -0.786 5.677 110 1HG1 ILE 13 2HG1 ILE 13 1.869 2.066 5.286 111 2HG1 ILE 13 1HG1 ILE 13 0.387 1.330 5.875 112 1HG2 ILE 13 1HG2 ILE 13 3.797 0.391 6.725 113 2HG2 ILE 13 2HG2 ILE 13 3.736 -1.240 6.093 114 3HG2 ILE 13 3HG2 ILE 13 2.748 -0.811 7.477 115 1HD1 ILE 13 1HD1 ILE 13 1.311 2.601 7.689 116 2HD1 ILE 13 2HD1 ILE 13 2.913 1.903 7.428 117 3HD1 ILE 13 3HD1 ILE 13 1.602 0.899 8.054 118 H GLY 14 H GLY 14 4.808 -0.807 4.601 119 1HA GLY 14 2HA GLY 14 6.165 1.632 4.885 120 2HA GLY 14 1HA GLY 14 6.912 0.038 4.677 121 H GLU 15 H GLU 15 5.572 -0.614 2.185 122 HA GLU 15 HA GLU 15 7.342 0.654 0.338 123 1HB GLU 15 2HB GLU 15 4.948 -1.153 -0.013 124 2HB GLU 15 1HB GLU 15 5.894 -0.561 -1.370 125 1HG GLU 15 2HG GLU 15 7.525 -1.763 0.762 126 2HG GLU 15 1HG GLU 15 6.375 -2.889 0.024 127 H ILE 16 H ILE 16 3.862 0.742 0.898 128 HA ILE 16 HA ILE 16 3.317 2.588 -1.130 129 HB ILE 16 HB ILE 16 1.738 1.383 1.086 130 1HG1 ILE 16 2HG1 ILE 16 1.396 1.340 -1.910 131 2HG1 ILE 16 1HG1 ILE 16 2.503 0.261 -1.085 132 1HG2 ILE 16 1HG2 ILE 16 1.050 3.917 0.211 133 2HG2 ILE 16 2HG2 ILE 16 -0.083 2.710 0.803 134 3HG2 ILE 16 3HG2 ILE 16 0.187 2.894 -0.941 135 1HD1 ILE 16 1HD1 ILE 16 0.782 -1.111 -0.701 136 2HD1 ILE 16 2HD1 ILE 16 -0.330 0.059 -1.400 137 3HD1 ILE 16 3HD1 ILE 16 0.065 0.129 0.322 138 H MET 17 H MET 17 3.864 2.974 2.311 139 HA MET 17 HA MET 17 3.060 5.691 2.474 140 1HB MET 17 2HB MET 17 4.828 3.944 4.199 141 2HB MET 17 1HB MET 17 4.525 5.646 4.584 142 1HG MET 17 2HG MET 17 2.328 3.602 4.128 143 2HG MET 17 1HG MET 17 2.935 4.039 5.720 144 1HE MET 17 1HE MET 17 0.103 4.126 5.487 145 2HE MET 17 2HE MET 17 0.013 4.336 3.743 146 3HE MET 17 3HE MET 17 -0.745 5.523 4.806 147 H ARG 18 H ARG 18 5.829 4.165 1.134 148 HA ARG 18 HA ARG 18 7.746 6.263 1.370 149 1HB ARG 18 2HB ARG 18 8.324 3.914 0.914 150 2HB ARG 18 1HB ARG 18 7.460 3.995 -0.613 151 1HG ARG 18 2HG ARG 18 9.025 5.864 -1.296 152 2HG ARG 18 1HG ARG 18 9.982 5.480 0.139 153 1HD ARG 18 2HD ARG 18 9.286 3.596 -2.124 154 2HD ARG 18 1HD ARG 18 10.875 4.288 -1.806 155 HE ARG 18 HE ARG 18 10.688 3.011 0.415 156 1HH1 ARG 18 1HH1 ARG 18 8.175 2.023 -1.556 157 2HH1 ARG 18 2HH1 ARG 18 8.598 0.344 -1.580 158 1HH2 ARG 18 1HH2 ARG 18 11.661 0.816 -0.041 159 2HH2 ARG 18 2HH2 ARG 18 10.564 -0.336 -0.725 160 H LEU 19 H LEU 19 5.215 5.429 -0.890 161 HA LEU 19 HA LEU 19 5.809 6.774 -3.160 162 1HB LEU 19 2HB LEU 19 3.083 6.590 -1.883 163 2HB LEU 19 1HB LEU 19 3.447 6.770 -3.601 164 HG LEU 19 HG LEU 19 4.361 4.436 -1.885 165 1HD1 LEU 19 1HD1 LEU 19 2.337 4.267 -4.098 166 2HD1 LEU 19 2HD1 LEU 19 1.858 4.564 -2.427 167 3HD1 LEU 19 3HD1 LEU 19 2.710 3.083 -2.845 168 1HD2 LEU 19 1HD2 LEU 19 4.672 3.621 -4.433 169 2HD2 LEU 19 2HD2 LEU 19 5.942 4.416 -3.495 170 3HD2 LEU 19 3HD2 LEU 19 4.962 5.356 -4.631 171 HA PRO 20 HA PRO 20 6.038 10.991 -1.541 172 1HB PRO 20 2HB PRO 20 7.267 11.805 -4.003 173 2HB PRO 20 1HB PRO 20 8.036 11.542 -2.433 174 1HG PRO 20 2HG PRO 20 8.349 10.002 -4.741 175 2HG PRO 20 1HG PRO 20 8.896 9.590 -3.104 176 1HD PRO 20 2HD PRO 20 6.593 8.553 -4.630 177 2HD PRO 20 1HD PRO 20 7.458 7.836 -3.257 178 H ASN 21 H ASN 21 4.563 9.904 -4.548 179 HA ASN 21 HA ASN 21 3.593 12.600 -5.172 180 1HB ASN 21 2HB ASN 21 2.944 10.001 -6.594 181 2HB ASN 21 1HB ASN 21 2.680 11.627 -7.187 182 1HD2 ASN 21 1HD2 ASN 21 4.448 9.586 -8.418 183 2HD2 ASN 21 2HD2 ASN 21 6.012 10.247 -8.412 184 H LEU 22 H LEU 22 2.026 9.466 -4.662 185 HA LEU 22 HA LEU 22 -0.596 10.084 -4.569 186 1HB LEU 22 2HB LEU 22 0.929 8.332 -2.648 187 2HB LEU 22 1HB LEU 22 -0.832 8.324 -2.814 188 HG LEU 22 HG LEU 22 0.870 8.015 -5.260 189 1HD1 LEU 22 1HD1 LEU 22 0.242 5.433 -4.486 190 2HD1 LEU 22 2HD1 LEU 22 0.765 6.190 -2.978 191 3HD1 LEU 22 3HD1 LEU 22 1.827 6.192 -4.385 192 1HD2 LEU 22 1HD2 LEU 22 -1.136 7.609 -6.171 193 2HD2 LEU 22 2HD2 LEU 22 -1.885 8.005 -4.620 194 3HD2 LEU 22 3HD2 LEU 22 -1.451 6.332 -4.990 195 H ASN 23 H ASN 23 -2.121 10.680 -3.081 196 HA ASN 23 HA ASN 23 -1.207 12.578 -1.035 197 1HB ASN 23 2HB ASN 23 -3.756 12.878 -0.778 198 2HB ASN 23 1HB ASN 23 -3.035 13.441 -2.282 199 1HD2 ASN 23 1HD2 ASN 23 -3.846 12.546 -4.211 200 2HD2 ASN 23 2HD2 ASN 23 -4.910 11.225 -4.272 201 H SER 24 H SER 24 -2.111 12.346 1.159 202 HA SER 24 HA SER 24 -1.472 9.915 2.276 203 1HB SER 24 2HB SER 24 -2.769 10.607 4.250 204 2HB SER 24 1HB SER 24 -1.667 11.851 3.655 205 HG SER 24 HG SER 24 -3.585 12.625 2.448 206 H LEU 25 H LEU 25 -4.598 10.951 1.014 207 HA LEU 25 HA LEU 25 -6.145 8.851 2.094 208 1HB LEU 25 2HB LEU 25 -6.557 10.231 -0.557 209 2HB LEU 25 1HB LEU 25 -7.761 9.392 0.405 210 HG LEU 25 HG LEU 25 -7.147 11.114 2.267 211 1HD1 LEU 25 1HD1 LEU 25 -5.707 12.169 -0.105 212 2HD1 LEU 25 2HD1 LEU 25 -5.438 12.490 1.607 213 3HD1 LEU 25 3HD1 LEU 25 -6.712 13.343 0.741 214 1HD2 LEU 25 1HD2 LEU 25 -8.721 11.511 -0.250 215 2HD2 LEU 25 2HD2 LEU 25 -8.669 12.808 0.948 216 3HD2 LEU 25 3HD2 LEU 25 -9.310 11.222 1.388 217 H GLN 26 H GLN 26 -4.511 9.171 -1.055 218 HA GLN 26 HA GLN 26 -5.235 6.611 -1.964 219 1HB GLN 26 2HB GLN 26 -3.025 8.469 -2.667 220 2HB GLN 26 1HB GLN 26 -3.174 6.896 -3.418 221 1HG GLN 26 2HG GLN 26 -5.437 8.893 -3.311 222 2HG GLN 26 1HG GLN 26 -4.300 8.817 -4.665 223 1HE2 GLN 26 1HE2 GLN 26 -4.064 6.433 -5.584 224 2HE2 GLN 26 2HE2 GLN 26 -5.517 5.570 -5.749 225 H VAL 27 H VAL 27 -2.459 7.920 -0.328 226 HA VAL 27 HA VAL 27 -0.832 5.676 -0.155 227 HB VAL 27 HB VAL 27 -1.299 8.091 1.597 228 1HG1 VAL 27 1HG1 VAL 27 1.235 7.223 2.231 229 2HG1 VAL 27 2HG1 VAL 27 0.289 5.736 2.231 230 3HG1 VAL 27 3HG1 VAL 27 -0.199 7.098 3.253 231 1HG2 VAL 27 1HG2 VAL 27 0.249 9.130 0.307 232 2HG2 VAL 27 2HG2 VAL 27 -0.069 7.838 -0.846 233 3HG2 VAL 27 3HG2 VAL 27 1.295 7.710 0.263 234 H VAL 28 H VAL 28 -3.425 6.901 1.841 235 HA VAL 28 HA VAL 28 -3.352 4.754 3.728 236 HB VAL 28 HB VAL 28 -5.435 6.877 3.333 237 1HG1 VAL 28 1HG1 VAL 28 -6.109 6.163 5.631 238 2HG1 VAL 28 2HG1 VAL 28 -4.895 4.881 5.569 239 3HG1 VAL 28 3HG1 VAL 28 -6.292 4.830 4.483 240 1HG2 VAL 28 1HG2 VAL 28 -3.635 6.803 5.677 241 2HG2 VAL 28 2HG2 VAL 28 -4.092 8.172 4.658 242 3HG2 VAL 28 3HG2 VAL 28 -2.805 7.072 4.142 243 H ALA 29 H ALA 29 -5.090 5.485 0.864 244 HA ALA 29 HA ALA 29 -7.211 3.700 0.914 245 1HB ALA 29 1HB ALA 29 -6.504 5.467 -0.850 246 2HB ALA 29 2HB ALA 29 -7.235 3.967 -1.424 247 3HB ALA 29 3HB ALA 29 -5.482 4.184 -1.512 248 H PHE 30 H PHE 30 -3.839 3.378 0.155 249 HA PHE 30 HA PHE 30 -3.972 0.702 -0.689 250 1HB PHE 30 2HB PHE 30 -1.853 2.658 0.026 251 2HB PHE 30 1HB PHE 30 -1.473 0.965 -0.180 252 HD1 PHE 30 1HD PHE 30 -2.485 -0.202 -2.289 253 HD2 PHE 30 2HD PHE 30 -1.934 4.005 -1.837 254 HE1 PHE 30 1HE PHE 30 -2.643 0.082 -4.728 255 HE2 PHE 30 2HE PHE 30 -2.163 4.318 -4.228 256 HZ PHE 30 HZ PHE 30 -2.509 2.347 -5.731 257 H ILE 31 H ILE 31 -3.284 2.418 2.378 258 HA ILE 31 HA ILE 31 -2.368 0.155 3.812 259 HB ILE 31 HB ILE 31 -4.234 2.295 4.906 260 1HG1 ILE 31 2HG1 ILE 31 -1.211 2.240 5.007 261 2HG1 ILE 31 1HG1 ILE 31 -2.137 3.236 3.892 262 1HG2 ILE 31 1HG2 ILE 31 -3.283 1.695 7.076 263 2HG2 ILE 31 2HG2 ILE 31 -2.219 0.517 6.314 264 3HG2 ILE 31 3HG2 ILE 31 -3.964 0.254 6.321 265 1HD1 ILE 31 1HD1 ILE 31 -3.263 3.586 6.495 266 2HD1 ILE 31 2HD1 ILE 31 -2.427 4.781 5.516 267 3HD1 ILE 31 3HD1 ILE 31 -1.518 3.776 6.639 268 H ASN 32 H ASN 32 -5.503 1.405 2.940 269 HA ASN 32 HA ASN 32 -7.107 -0.485 4.351 270 1HB ASN 32 2HB ASN 32 -7.499 1.571 2.216 271 2HB ASN 32 1HB ASN 32 -8.794 0.415 2.523 272 1HD2 ASN 32 1HD2 ASN 32 -7.409 3.362 3.569 273 2HD2 ASN 32 2HD2 ASN 32 -8.237 3.500 5.044 274 H SER 33 H SER 33 -5.800 -0.418 1.049 275 HA SER 33 HA SER 33 -7.317 -2.609 0.104 276 1HB SER 33 2HB SER 33 -4.596 -1.699 -0.824 277 2HB SER 33 1HB SER 33 -5.768 -2.652 -1.730 278 HG SER 33 HG SER 33 -6.202 -0.031 -0.726 279 H LEU 34 H LEU 34 -4.252 -2.356 1.820 280 HA LEU 34 HA LEU 34 -3.287 -4.986 1.409 281 1HB LEU 34 2HB LEU 34 -2.917 -3.705 4.101 282 2HB LEU 34 1HB LEU 34 -1.794 -4.681 3.166 283 HG LEU 34 HG LEU 34 -2.552 -1.807 2.726 284 1HD1 LEU 34 1HD1 LEU 34 0.054 -1.713 2.747 285 2HD1 LEU 34 2HD1 LEU 34 -0.085 -3.266 3.569 286 3HD1 LEU 34 3HD1 LEU 34 -0.824 -1.828 4.272 287 1HD2 LEU 34 1HD2 LEU 34 -2.383 -2.428 0.506 288 2HD2 LEU 34 2HD2 LEU 34 -1.333 -3.795 0.867 289 3HD2 LEU 34 3HD2 LEU 34 -0.678 -2.158 0.867 290 H ARG 35 H ARG 35 -5.366 -3.721 4.010 291 HA ARG 35 HA ARG 35 -5.661 -6.284 5.271 292 1HB ARG 35 2HB ARG 35 -7.384 -5.189 6.642 293 2HB ARG 35 1HB ARG 35 -5.905 -4.243 6.548 294 1HG ARG 35 2HG ARG 35 -6.909 -2.837 4.789 295 2HG ARG 35 1HG ARG 35 -8.411 -3.752 4.923 296 1HD ARG 35 2HD ARG 35 -8.498 -3.091 7.353 297 2HD ARG 35 1HD ARG 35 -7.104 -2.051 7.067 298 HE ARG 35 HE ARG 35 -8.649 -0.507 6.320 299 1HH1 ARG 35 1HH1 ARG 35 -10.787 -2.834 6.881 300 2HH1 ARG 35 2HH1 ARG 35 -11.721 -2.684 5.430 301 1HH2 ARG 35 1HH2 ARG 35 -9.395 -0.688 3.831 302 2HH2 ARG 35 2HH2 ARG 35 -10.932 -1.472 3.704 303 H ASP 36 H ASP 36 -7.424 -4.463 2.879 304 HA ASP 36 HA ASP 36 -9.745 -6.107 2.791 305 1HB ASP 36 2HB ASP 36 -8.469 -4.242 0.763 306 2HB ASP 36 1HB ASP 36 -10.009 -5.053 0.498 307 H ASP 37 H ASP 37 -6.498 -6.394 1.770 308 HA ASP 37 HA ASP 37 -6.838 -9.095 0.888 309 1HB ASP 37 2HB ASP 37 -7.686 -7.669 -1.075 310 2HB ASP 37 1HB ASP 37 -6.009 -7.200 -1.304 311 HA PRO 38 HA PRO 38 -2.595 -8.123 2.318 312 1HB PRO 38 2HB PRO 38 -2.365 -10.849 3.214 313 2HB PRO 38 1HB PRO 38 -2.463 -9.372 4.183 314 1HG PRO 38 2HG PRO 38 -4.412 -11.331 3.979 315 2HG PRO 38 1HG PRO 38 -4.607 -9.705 4.635 316 1HD PRO 38 2HD PRO 38 -5.520 -10.786 2.040 317 2HD PRO 38 1HD PRO 38 -6.129 -9.395 2.964 318 H SER 39 H SER 39 -3.781 -10.897 0.521 319 HA SER 39 HA SER 39 -1.324 -11.875 -0.470 320 1HB SER 39 2HB SER 39 -4.019 -12.000 -1.847 321 2HB SER 39 1HB SER 39 -2.649 -13.080 -2.087 322 HG SER 39 HG SER 39 -4.187 -12.730 0.277 323 H GLN 40 H GLN 40 -3.443 -9.262 -1.371 324 HA GLN 40 HA GLN 40 -1.932 -8.747 -3.812 325 1HB GLN 40 2HB GLN 40 -4.457 -7.520 -2.706 326 2HB GLN 40 1HB GLN 40 -3.671 -6.970 -4.182 327 1HG GLN 40 2HG GLN 40 -4.547 -9.834 -3.723 328 2HG GLN 40 1HG GLN 40 -5.536 -8.636 -4.553 329 1HE2 GLN 40 1HE2 GLN 40 -3.251 -11.056 -5.093 330 2HE2 GLN 40 2HE2 GLN 40 -2.712 -10.559 -6.624 331 H SER 41 H SER 41 -1.435 -8.059 -0.660 332 HA SER 41 HA SER 41 -1.045 -5.285 -0.514 333 1HB SER 41 2HB SER 41 0.437 -7.546 0.843 334 2HB SER 41 1HB SER 41 0.718 -5.857 1.226 335 HG SER 41 HG SER 41 -0.919 -7.108 2.481 336 H ALA 42 H ALA 42 0.803 -7.857 -1.905 337 HA ALA 42 HA ALA 42 3.159 -6.405 -2.518 338 1HB ALA 42 1HB ALA 42 3.662 -8.337 -3.958 339 2HB ALA 42 2HB ALA 42 2.009 -8.913 -3.734 340 3HB ALA 42 3HB ALA 42 3.115 -8.849 -2.360 341 H ASN 43 H ASN 43 0.134 -7.051 -4.165 342 HA ASN 43 HA ASN 43 0.859 -6.041 -6.749 343 1HB ASN 43 2HB ASN 43 -1.111 -7.577 -5.874 344 2HB ASN 43 1HB ASN 43 -1.900 -6.014 -5.671 345 1HD2 ASN 43 1HD2 ASN 43 -1.740 -4.557 -7.725 346 2HD2 ASN 43 2HD2 ASN 43 -1.926 -5.333 -9.224 347 H LEU 44 H LEU 44 -0.588 -4.932 -3.840 348 HA LEU 44 HA LEU 44 -1.729 -2.585 -4.780 349 1HB LEU 44 2HB LEU 44 -0.972 -3.553 -2.074 350 2HB LEU 44 1HB LEU 44 -1.782 -2.011 -2.308 351 HG LEU 44 HG LEU 44 -2.814 -4.503 -3.644 352 1HD1 LEU 44 1HD1 LEU 44 -3.324 -3.621 -0.818 353 2HD1 LEU 44 2HD1 LEU 44 -2.923 -5.226 -1.417 354 3HD1 LEU 44 3HD1 LEU 44 -4.513 -4.548 -1.727 355 1HD2 LEU 44 1HD2 LEU 44 -4.911 -3.208 -3.582 356 2HD2 LEU 44 2HD2 LEU 44 -3.618 -2.388 -4.456 357 3HD2 LEU 44 3HD2 LEU 44 -4.037 -1.882 -2.813 358 H LEU 45 H LEU 45 1.530 -3.074 -3.434 359 HA LEU 45 HA LEU 45 1.986 -0.215 -3.581 360 1HB LEU 45 2HB LEU 45 4.511 -1.526 -4.047 361 2HB LEU 45 1HB LEU 45 4.044 -0.487 -2.718 362 HG LEU 45 HG LEU 45 4.817 -2.578 -1.860 363 1HD1 LEU 45 1HD1 LEU 45 2.949 -1.554 -0.687 364 2HD1 LEU 45 2HD1 LEU 45 2.853 -3.314 -0.601 365 3HD1 LEU 45 3HD1 LEU 45 1.811 -2.432 -1.696 366 1HD2 LEU 45 1HD2 LEU 45 2.728 -4.241 -3.029 367 2HD2 LEU 45 2HD2 LEU 45 4.449 -4.548 -2.865 368 3HD2 LEU 45 3HD2 LEU 45 3.848 -3.580 -4.217 369 H ALA 46 H ALA 46 2.093 -2.980 -5.642 370 HA ALA 46 HA ALA 46 3.546 -1.931 -7.829 371 1HB ALA 46 1HB ALA 46 1.180 -3.526 -8.544 372 2HB ALA 46 2HB ALA 46 2.178 -4.285 -7.301 373 3HB ALA 46 3HB ALA 46 2.887 -3.856 -8.861 374 H GLU 47 H GLU 47 0.171 -1.903 -6.901 375 HA GLU 47 HA GLU 47 -0.895 -0.371 -9.031 376 1HB GLU 47 2HB GLU 47 -1.641 -1.288 -6.296 377 2HB GLU 47 1HB GLU 47 -2.555 0.070 -6.963 378 1HG GLU 47 2HG GLU 47 -3.394 -1.202 -8.738 379 2HG GLU 47 1HG GLU 47 -2.115 -2.409 -8.609 380 H ALA 48 H ALA 48 0.103 0.289 -5.771 381 HA ALA 48 HA ALA 48 -0.358 3.020 -5.612 382 1HB ALA 48 1HB ALA 48 1.960 1.833 -4.206 383 2HB ALA 48 2HB ALA 48 0.356 1.207 -3.848 384 3HB ALA 48 3HB ALA 48 0.702 2.909 -3.599 385 H LYS 49 H LYS 49 2.569 1.259 -6.474 386 HA LYS 49 HA LYS 49 4.177 3.556 -6.960 387 1HB LYS 49 2HB LYS 49 4.349 0.691 -7.938 388 2HB LYS 49 1HB LYS 49 5.556 1.913 -8.341 389 1HG LYS 49 2HG LYS 49 6.061 2.277 -5.988 390 2HG LYS 49 1HG LYS 49 4.762 1.198 -5.494 391 1HD LYS 49 2HD LYS 49 5.954 -0.656 -6.758 392 2HD LYS 49 1HD LYS 49 7.310 0.455 -6.960 393 1HE LYS 49 2HE LYS 49 7.445 0.700 -4.482 394 2HE LYS 49 1HE LYS 49 6.140 -0.473 -4.314 395 1HZ LYS 49 1HZ LYS 49 8.894 -0.893 -5.265 396 2HZ LYS 49 2HZ LYS 49 7.656 -1.949 -5.751 397 3HZ LYS 49 3HZ LYS 49 8.018 -1.765 -4.102 398 H LYS 50 H LYS 50 1.879 1.676 -8.864 399 HA LYS 50 HA LYS 50 2.421 3.004 -11.364 400 1HB LYS 50 2HB LYS 50 0.345 1.112 -10.325 401 2HB LYS 50 1HB LYS 50 -0.031 2.041 -11.774 402 1HG LYS 50 2HG LYS 50 1.606 1.003 -13.039 403 2HG LYS 50 1HG LYS 50 2.645 0.705 -11.651 404 1HD LYS 50 2HD LYS 50 1.565 -1.357 -12.705 405 2HD LYS 50 1HD LYS 50 1.362 -1.194 -10.971 406 1HE LYS 50 2HE LYS 50 -0.739 -1.865 -12.108 407 2HE LYS 50 1HE LYS 50 -0.905 -0.318 -11.283 408 1HZ LYS 50 1HZ LYS 50 -0.188 -0.535 -14.150 409 2HZ LYS 50 2HZ LYS 50 -0.707 0.845 -13.306 410 3HZ LYS 50 3HZ LYS 50 -1.793 -0.423 -13.618 411 H LEU 51 H LEU 51 0.348 3.444 -8.612 412 HA LEU 51 HA LEU 51 -1.388 5.474 -9.594 413 1HB LEU 51 2HB LEU 51 -0.690 4.185 -7.058 414 2HB LEU 51 1HB LEU 51 -1.189 5.835 -6.894 415 HG LEU 51 HG LEU 51 -3.042 4.243 -6.640 416 1HD1 LEU 51 1HD1 LEU 51 -3.381 6.574 -7.421 417 2HD1 LEU 51 2HD1 LEU 51 -4.607 5.454 -8.035 418 3HD1 LEU 51 3HD1 LEU 51 -3.305 5.993 -9.092 419 1HD2 LEU 51 1HD2 LEU 51 -2.078 3.391 -9.348 420 2HD2 LEU 51 2HD2 LEU 51 -3.807 3.297 -9.009 421 3HD2 LEU 51 3HD2 LEU 51 -2.657 2.409 -8.000 422 H ASN 52 H ASN 52 1.529 5.412 -7.676 423 HA ASN 52 HA ASN 52 1.806 8.109 -7.080 424 1HB ASN 52 2HB ASN 52 3.017 6.128 -6.092 425 2HB ASN 52 1HB ASN 52 3.992 6.066 -7.552 426 1HD2 ASN 52 1HD2 ASN 52 5.783 7.434 -7.652 427 2HD2 ASN 52 2HD2 ASN 52 6.139 8.626 -6.499 428 H ASP 53 H ASP 53 3.080 6.136 -9.686 429 HA ASP 53 HA ASP 53 4.356 8.237 -11.059 430 1HB ASP 53 2HB ASP 53 4.981 5.833 -11.250 431 2HB ASP 53 1HB ASP 53 3.473 5.555 -12.120 432 H ALA 54 H ALA 54 1.219 6.659 -11.311 433 HA ALA 54 HA ALA 54 0.423 7.845 -13.787 434 1HB ALA 54 1HB ALA 54 -0.574 5.801 -13.000 435 2HB ALA 54 2HB ALA 54 -1.826 7.040 -13.107 436 3HB ALA 54 3HB ALA 54 -1.140 6.613 -11.537 437 H GLN 55 H GLN 55 -0.253 8.687 -10.393 438 HA GLN 55 HA GLN 55 -2.114 10.758 -11.151 439 1HB GLN 55 2HB GLN 55 -0.803 10.008 -8.540 440 2HB GLN 55 1HB GLN 55 -1.941 11.333 -8.714 441 1HG GLN 55 2HG GLN 55 -3.634 9.729 -9.592 442 2HG GLN 55 1HG GLN 55 -2.498 8.415 -9.278 443 1HE2 GLN 55 1HE2 GLN 55 -1.859 10.647 -6.898 444 2HE2 GLN 55 2HE2 GLN 55 -2.885 10.030 -5.687 445 H ALA 56 H ALA 56 1.119 10.557 -9.817 446 HA ALA 56 HA ALA 56 2.674 12.243 -9.345 447 1HB ALA 56 1HB ALA 56 2.034 12.775 -12.260 448 2HB ALA 56 2HB ALA 56 3.140 11.539 -11.661 449 3HB ALA 56 3HB ALA 56 3.515 13.245 -11.422 450 HA PRO 57 HA PRO 57 -1.143 15.158 -8.729 451 1HB PRO 57 2HB PRO 57 0.245 15.806 -6.264 452 2HB PRO 57 1HB PRO 57 -1.319 15.001 -6.487 453 1HG PRO 57 2HG PRO 57 1.372 13.829 -6.142 454 2HG PRO 57 1HG PRO 57 -0.222 13.174 -5.712 455 1HD PRO 57 2HD PRO 57 1.054 12.135 -7.791 456 2HD PRO 57 1HD PRO 57 -0.671 12.499 -7.929 457 H LYS 58 H LYS 58 -0.862 16.844 -10.026 458 HA LYS 58 HA LYS 58 1.597 18.423 -10.022 459 1HB LYS 58 2HB LYS 58 -0.904 18.651 -11.726 460 2HB LYS 58 1HB LYS 58 0.584 19.564 -11.961 461 1HG LYS 58 2HG LYS 58 1.058 17.846 -13.409 462 2HG LYS 58 1HG LYS 58 1.619 17.064 -11.933 463 1HD LYS 58 2HD LYS 58 -0.596 15.986 -11.662 464 2HD LYS 58 1HD LYS 58 -1.157 16.770 -13.137 465 1HE LYS 58 2HE LYS 58 1.301 15.009 -13.126 466 2HE LYS 58 1HE LYS 58 -0.316 14.337 -13.337 467 1HZ LYS 58 1HZ LYS 58 -0.650 15.795 -15.223 468 2HZ LYS 58 2HZ LYS 58 0.735 14.839 -15.459 469 3HZ LYS 58 3HZ LYS 58 0.891 16.471 -15.012 Start of MODEL 12 1 1H VAL 1 1HT VAL 1 -1.245 -11.638 15.914 2 2H VAL 1 2HT VAL 1 0.028 -11.264 16.977 3 3H VAL 1 3HT VAL 1 -0.575 -12.850 16.895 4 HA VAL 1 HA VAL 1 0.710 -11.461 14.616 5 HB VAL 1 HB VAL 1 2.211 -11.816 16.639 6 1HG1 VAL 1 1HG1 VAL 1 1.088 -14.008 17.282 7 2HG1 VAL 1 2HG1 VAL 1 2.851 -14.037 17.277 8 3HG1 VAL 1 3HG1 VAL 1 1.955 -14.754 15.938 9 1HG2 VAL 1 1HG2 VAL 1 2.920 -11.814 14.143 10 2HG2 VAL 1 2HG2 VAL 1 3.070 -13.562 14.325 11 3HG2 VAL 1 3HG2 VAL 1 4.054 -12.486 15.315 12 H ASP 2 H ASP 2 -1.465 -13.716 15.667 13 HA ASP 2 HA ASP 2 -0.917 -16.082 14.290 14 1HB ASP 2 2HB ASP 2 -3.617 -14.779 14.750 15 2HB ASP 2 1HB ASP 2 -3.338 -16.480 14.376 16 H ASN 3 H ASN 3 -2.341 -13.058 13.177 17 HA ASN 3 HA ASN 3 -2.752 -14.094 10.470 18 1HB ASN 3 2HB ASN 3 -3.214 -11.320 11.608 19 2HB ASN 3 1HB ASN 3 -3.714 -11.882 10.014 20 1HD2 ASN 3 1HD2 ASN 3 -4.904 -14.296 10.419 21 2HD2 ASN 3 2HD2 ASN 3 -6.177 -14.184 11.537 22 H LYS 4 H LYS 4 -1.368 -13.764 8.832 23 HA LYS 4 HA LYS 4 1.175 -12.505 9.383 24 1HB LYS 4 2HB LYS 4 0.230 -13.718 6.784 25 2HB LYS 4 1HB LYS 4 1.896 -13.401 7.263 26 1HG LYS 4 2HG LYS 4 0.030 -15.340 8.677 27 2HG LYS 4 1HG LYS 4 1.282 -15.802 7.529 28 1HD LYS 4 2HD LYS 4 3.015 -14.858 8.994 29 2HD LYS 4 1HD LYS 4 1.783 -14.322 10.136 30 1HE LYS 4 2HE LYS 4 1.800 -17.214 9.373 31 2HE LYS 4 1HE LYS 4 3.060 -16.641 10.465 32 1HZ LYS 4 1HZ LYS 4 1.011 -17.424 11.595 33 2HZ LYS 4 2HZ LYS 4 0.164 -16.138 10.877 34 3HZ LYS 4 3HZ LYS 4 1.427 -15.823 11.969 35 H PHE 5 H PHE 5 -1.643 -11.237 8.733 36 HA PHE 5 HA PHE 5 -1.492 -9.598 6.507 37 1HB PHE 5 2HB PHE 5 -2.758 -9.329 9.212 38 2HB PHE 5 1HB PHE 5 -2.785 -7.984 8.081 39 HD1 PHE 5 1HD PHE 5 -3.067 -11.690 7.505 40 HD2 PHE 5 2HD PHE 5 -4.944 -7.819 7.257 41 HE1 PHE 5 1HE PHE 5 -5.027 -12.691 6.330 42 HE2 PHE 5 2HE PHE 5 -6.880 -8.821 6.091 43 HZ PHE 5 HZ PHE 5 -6.920 -11.240 5.623 44 H ASN 6 H ASN 6 -0.649 -8.731 9.857 45 HA ASN 6 HA ASN 6 0.217 -6.156 9.386 46 1HB ASN 6 2HB ASN 6 1.296 -8.094 11.424 47 2HB ASN 6 1HB ASN 6 1.463 -6.342 11.474 48 1HD2 ASN 6 1HD2 ASN 6 -1.015 -5.350 10.921 49 2HD2 ASN 6 2HD2 ASN 6 -2.181 -5.954 11.995 50 H LYS 7 H LYS 7 2.223 -9.117 9.407 51 HA LYS 7 HA LYS 7 4.670 -7.835 8.920 52 1HB LYS 7 2HB LYS 7 4.764 -10.068 9.619 53 2HB LYS 7 1HB LYS 7 3.655 -10.611 8.368 54 1HG LYS 7 2HG LYS 7 5.990 -11.277 7.862 55 2HG LYS 7 1HG LYS 7 5.356 -10.187 6.639 56 1HD LYS 7 2HD LYS 7 7.588 -9.449 7.148 57 2HD LYS 7 1HD LYS 7 6.498 -8.282 7.881 58 1HE LYS 7 2HE LYS 7 8.343 -8.920 9.401 59 2HE LYS 7 1HE LYS 7 6.769 -9.357 10.063 60 1HZ LYS 7 1HZ LYS 7 8.296 -11.295 8.451 61 2HZ LYS 7 2HZ LYS 7 7.109 -11.585 9.631 62 3HZ LYS 7 3HZ LYS 7 8.664 -11.080 10.093 63 H GLU 8 H GLU 8 2.220 -9.077 6.669 64 HA GLU 8 HA GLU 8 3.724 -8.427 4.310 65 1HB GLU 8 2HB GLU 8 1.842 -10.121 4.504 66 2HB GLU 8 1HB GLU 8 0.722 -8.766 4.611 67 1HG GLU 8 2HG GLU 8 0.832 -9.535 2.314 68 2HG GLU 8 1HG GLU 8 1.549 -7.936 2.429 69 H ARG 9 H ARG 9 1.353 -6.846 6.310 70 HA ARG 9 HA ARG 9 0.904 -4.595 4.674 71 1HB ARG 9 2HB ARG 9 0.260 -5.246 7.536 72 2HB ARG 9 1HB ARG 9 -0.121 -3.677 6.827 73 1HG ARG 9 2HG ARG 9 -1.520 -4.663 5.166 74 2HG ARG 9 1HG ARG 9 -0.972 -6.287 5.542 75 1HD ARG 9 2HD ARG 9 -3.135 -6.034 6.532 76 2HD ARG 9 1HD ARG 9 -1.968 -5.965 7.851 77 HE ARG 9 HE ARG 9 -2.988 -3.463 6.649 78 1HH1 ARG 9 1HH1 ARG 9 -1.205 -3.944 9.201 79 2HH1 ARG 9 2HH1 ARG 9 -2.350 -3.538 10.435 80 1HH2 ARG 9 1HH2 ARG 9 -5.080 -3.654 8.304 81 2HH2 ARG 9 2HH2 ARG 9 -4.545 -3.374 9.927 82 H VAL 10 H VAL 10 3.221 -5.282 7.256 83 HA VAL 10 HA VAL 10 3.990 -2.603 7.777 84 HB VAL 10 HB VAL 10 5.862 -4.981 7.896 85 1HG1 VAL 10 1HG1 VAL 10 7.219 -3.641 9.283 86 2HG1 VAL 10 2HG1 VAL 10 5.908 -2.522 9.650 87 3HG1 VAL 10 3HG1 VAL 10 6.663 -2.499 8.053 88 1HG2 VAL 10 1HG2 VAL 10 3.545 -4.387 9.573 89 2HG2 VAL 10 2HG2 VAL 10 5.040 -4.457 10.501 90 3HG2 VAL 10 3HG2 VAL 10 4.560 -5.834 9.507 91 H ILE 11 H ILE 11 5.234 -5.145 5.793 92 HA ILE 11 HA ILE 11 7.351 -3.793 4.591 93 HB ILE 11 HB ILE 11 5.612 -6.067 3.608 94 1HG1 ILE 11 2HG1 ILE 11 8.311 -6.195 4.991 95 2HG1 ILE 11 1HG1 ILE 11 6.785 -6.309 5.877 96 1HG2 ILE 11 1HG2 ILE 11 7.447 -6.643 2.145 97 2HG2 ILE 11 2HG2 ILE 11 8.425 -5.310 2.776 98 3HG2 ILE 11 3HG2 ILE 11 6.975 -4.966 1.825 99 1HD1 ILE 11 1HD1 ILE 11 7.431 -8.104 3.521 100 2HD1 ILE 11 2HD1 ILE 11 6.165 -8.318 4.738 101 3HD1 ILE 11 3HD1 ILE 11 7.861 -8.531 5.181 102 H ALA 12 H ALA 12 4.041 -4.397 3.577 103 HA ALA 12 HA ALA 12 4.126 -2.958 1.136 104 1HB ALA 12 1HB ALA 12 2.001 -4.016 2.947 105 2HB ALA 12 2HB ALA 12 2.513 -4.594 1.355 106 3HB ALA 12 3HB ALA 12 1.600 -3.092 1.492 107 H ILE 13 H ILE 13 2.739 -2.050 4.344 108 HA ILE 13 HA ILE 13 1.824 0.465 3.508 109 HB ILE 13 HB ILE 13 1.239 -0.684 5.689 110 1HG1 ILE 13 2HG1 ILE 13 1.895 2.151 5.253 111 2HG1 ILE 13 1HG1 ILE 13 0.409 1.428 5.841 112 1HG2 ILE 13 1HG2 ILE 13 2.727 -0.640 7.538 113 2HG2 ILE 13 2HG2 ILE 13 3.815 0.504 6.749 114 3HG2 ILE 13 3HG2 ILE 13 3.722 -1.151 6.190 115 1HD1 ILE 13 1HD1 ILE 13 1.310 2.750 7.631 116 2HD1 ILE 13 2HD1 ILE 13 2.915 2.045 7.410 117 3HD1 ILE 13 3HD1 ILE 13 1.595 1.058 8.045 118 H GLY 14 H GLY 14 4.893 -0.709 4.659 119 1HA GLY 14 2HA GLY 14 6.209 1.744 4.955 120 2HA GLY 14 1HA GLY 14 6.987 0.169 4.716 121 H GLU 15 H GLU 15 5.666 -0.499 2.250 122 HA GLU 15 HA GLU 15 7.344 0.865 0.373 123 1HB GLU 15 2HB GLU 15 5.016 -1.027 -0.038 124 2HB GLU 15 1HB GLU 15 6.127 -0.495 -1.295 125 1HG GLU 15 2HG GLU 15 7.641 -1.511 0.942 126 2HG GLU 15 1HG GLU 15 6.427 -2.699 0.458 127 H ILE 16 H ILE 16 3.891 0.788 1.027 128 HA ILE 16 HA ILE 16 3.039 2.478 -1.035 129 HB ILE 16 HB ILE 16 1.690 1.956 1.606 130 1HG1 ILE 16 2HG1 ILE 16 2.556 0.010 -0.235 131 2HG1 ILE 16 1HG1 ILE 16 1.420 -0.210 1.078 132 1HG2 ILE 16 1HG2 ILE 16 0.844 3.719 -0.129 133 2HG2 ILE 16 2HG2 ILE 16 -0.271 2.615 0.655 134 3HG2 ILE 16 3HG2 ILE 16 0.251 2.308 -1.006 135 1HD1 ILE 16 1HD1 ILE 16 -0.310 -0.476 -0.327 136 2HD1 ILE 16 2HD1 ILE 16 0.942 -0.749 -1.545 137 3HD1 ILE 16 3HD1 ILE 16 0.193 0.847 -1.389 138 H MET 17 H MET 17 3.805 3.028 2.350 139 HA MET 17 HA MET 17 3.061 5.771 2.430 140 1HB MET 17 2HB MET 17 4.831 4.063 4.204 141 2HB MET 17 1HB MET 17 4.432 5.751 4.563 142 1HG MET 17 2HG MET 17 2.349 3.608 4.071 143 2HG MET 17 1HG MET 17 2.919 4.046 5.678 144 1HE MET 17 1HE MET 17 0.088 3.995 5.418 145 2HE MET 17 2HE MET 17 0.030 4.193 3.673 146 3HE MET 17 3HE MET 17 -0.818 5.341 4.712 147 H ARG 18 H ARG 18 5.839 4.103 1.226 148 HA ARG 18 HA ARG 18 7.785 6.171 1.451 149 1HB ARG 18 2HB ARG 18 8.389 3.823 1.050 150 2HB ARG 18 1HB ARG 18 7.562 3.864 -0.502 151 1HG ARG 18 2HG ARG 18 9.114 5.668 -1.249 152 2HG ARG 18 1HG ARG 18 9.989 5.506 0.277 153 1HD ARG 18 2HD ARG 18 10.388 3.102 -0.260 154 2HD ARG 18 1HD ARG 18 9.598 3.349 -1.816 155 HE ARG 18 HE ARG 18 12.271 4.192 -1.079 156 1HH1 ARG 18 1HH2 ARG 18 10.850 6.648 -2.135 157 2HH1 ARG 18 2HH2 ARG 18 11.195 6.558 -3.830 158 1HH2 ARG 18 1HH1 ARG 18 12.159 3.233 -3.722 159 2HH2 ARG 18 2HH1 ARG 18 11.936 4.624 -4.728 160 H LEU 19 H LEU 19 5.338 5.318 -0.889 161 HA LEU 19 HA LEU 19 5.994 6.664 -3.140 162 1HB LEU 19 2HB LEU 19 3.233 6.570 -1.927 163 2HB LEU 19 1HB LEU 19 3.643 6.710 -3.639 164 HG LEU 19 HG LEU 19 4.410 4.370 -1.862 165 1HD1 LEU 19 1HD1 LEU 19 2.458 4.253 -4.148 166 2HD1 LEU 19 2HD1 LEU 19 1.935 4.595 -2.496 167 3HD1 LEU 19 3HD1 LEU 19 2.749 3.079 -2.862 168 1HD2 LEU 19 1HD2 LEU 19 5.149 5.237 -4.591 169 2HD2 LEU 19 2HD2 LEU 19 4.759 3.520 -4.404 170 3HD2 LEU 19 3HD2 LEU 19 6.037 4.248 -3.421 171 HA PRO 20 HA PRO 20 6.281 10.834 -1.418 172 1HB PRO 20 2HB PRO 20 7.569 11.686 -3.840 173 2HB PRO 20 1HB PRO 20 8.300 11.385 -2.258 174 1HG PRO 20 2HG PRO 20 8.658 9.881 -4.577 175 2HG PRO 20 1HG PRO 20 9.133 9.421 -2.932 176 1HD PRO 20 2HD PRO 20 6.854 8.480 -4.561 177 2HD PRO 20 1HD PRO 20 7.668 7.700 -3.189 178 H ASN 21 H ASN 21 4.658 9.784 -4.309 179 HA ASN 21 HA ASN 21 3.792 12.532 -4.931 180 1HB ASN 21 2HB ASN 21 3.058 9.981 -6.399 181 2HB ASN 21 1HB ASN 21 2.864 11.631 -6.955 182 1HD2 ASN 21 1HD2 ASN 21 4.610 9.366 -8.034 183 2HD2 ASN 21 2HD2 ASN 21 6.168 10.039 -8.114 184 H LEU 22 H LEU 22 2.083 9.448 -4.637 185 HA LEU 22 HA LEU 22 -0.489 10.067 -4.494 186 1HB LEU 22 2HB LEU 22 1.004 8.280 -2.586 187 2HB LEU 22 1HB LEU 22 -0.757 8.300 -2.736 188 HG LEU 22 HG LEU 22 0.930 8.000 -5.194 189 1HD1 LEU 22 1HD1 LEU 22 0.087 5.742 -3.370 190 2HD1 LEU 22 2HD1 LEU 22 1.727 6.369 -3.503 191 3HD1 LEU 22 3HD1 LEU 22 0.968 5.602 -4.894 192 1HD2 LEU 22 1HD2 LEU 22 -1.458 6.395 -4.908 193 2HD2 LEU 22 2HD2 LEU 22 -1.074 7.622 -6.124 194 3HD2 LEU 22 3HD2 LEU 22 -1.813 8.096 -4.594 195 H ASN 23 H ASN 23 -2.054 10.670 -3.096 196 HA ASN 23 HA ASN 23 -1.271 12.549 -0.985 197 1HB ASN 23 2HB ASN 23 -3.858 12.687 -0.780 198 2HB ASN 23 1HB ASN 23 -3.111 13.376 -2.218 199 1HD2 ASN 23 1HD2 ASN 23 -3.423 12.259 -4.264 200 2HD2 ASN 23 2HD2 ASN 23 -4.565 11.013 -4.430 201 H SER 24 H SER 24 -2.028 12.243 1.177 202 HA SER 24 HA SER 24 -1.391 9.793 2.231 203 1HB SER 24 2HB SER 24 -3.343 11.741 3.413 204 2HB SER 24 1HB SER 24 -2.460 10.472 4.272 205 HG SER 24 HG SER 24 -0.522 11.545 3.518 206 H LEU 25 H LEU 25 -4.543 10.886 1.056 207 HA LEU 25 HA LEU 25 -6.106 8.777 2.111 208 1HB LEU 25 2HB LEU 25 -6.424 10.435 -0.392 209 2HB LEU 25 1HB LEU 25 -7.629 9.298 0.189 210 HG LEU 25 HG LEU 25 -7.762 10.595 2.328 211 1HD1 LEU 25 1HD1 LEU 25 -6.847 13.034 2.003 212 2HD1 LEU 25 2HD1 LEU 25 -5.720 12.276 0.880 213 3HD1 LEU 25 3HD1 LEU 25 -5.746 11.780 2.575 214 1HD2 LEU 25 1HD2 LEU 25 -8.353 11.738 -0.369 215 2HD2 LEU 25 2HD2 LEU 25 -8.668 12.735 1.057 216 3HD2 LEU 25 3HD2 LEU 25 -9.473 11.174 0.874 217 H GLN 26 H GLN 26 -4.470 9.147 -1.037 218 HA GLN 26 HA GLN 26 -5.227 6.629 -2.025 219 1HB GLN 26 2HB GLN 26 -2.988 8.480 -2.626 220 2HB GLN 26 1HB GLN 26 -3.100 6.922 -3.407 221 1HG GLN 26 2HG GLN 26 -5.449 8.801 -3.336 222 2HG GLN 26 1HG GLN 26 -4.203 8.969 -4.577 223 1HE2 GLN 26 1HE2 GLN 26 -6.107 8.401 -6.068 224 2HE2 GLN 26 2HE2 GLN 26 -6.444 6.757 -6.324 225 H VAL 27 H VAL 27 -2.448 7.844 -0.344 226 HA VAL 27 HA VAL 27 -0.858 5.569 -0.219 227 HB VAL 27 HB VAL 27 -1.269 8.009 1.497 228 1HG1 VAL 27 1HG1 VAL 27 1.138 7.151 2.351 229 2HG1 VAL 27 2HG1 VAL 27 0.283 5.616 2.202 230 3HG1 VAL 27 3HG1 VAL 27 -0.376 6.907 3.225 231 1HG2 VAL 27 1HG2 VAL 27 0.748 7.080 -0.531 232 2HG2 VAL 27 2HG2 VAL 27 1.200 8.295 0.664 233 3HG2 VAL 27 3HG2 VAL 27 -0.125 8.610 -0.455 234 H VAL 28 H VAL 28 -3.428 6.792 1.807 235 HA VAL 28 HA VAL 28 -3.374 4.613 3.656 236 HB VAL 28 HB VAL 28 -5.432 6.765 3.292 237 1HG1 VAL 28 1HG1 VAL 28 -4.912 4.737 5.505 238 2HG1 VAL 28 2HG1 VAL 28 -6.315 4.726 4.426 239 3HG1 VAL 28 3HG1 VAL 28 -6.104 6.039 5.588 240 1HG2 VAL 28 1HG2 VAL 28 -4.068 8.026 4.638 241 2HG2 VAL 28 2HG2 VAL 28 -2.797 6.929 4.074 242 3HG2 VAL 28 3HG2 VAL 28 -3.602 6.630 5.617 243 H ALA 29 H ALA 29 -5.100 5.403 0.803 244 HA ALA 29 HA ALA 29 -7.246 3.649 0.817 245 1HB ALA 29 1HB ALA 29 -6.470 5.435 -0.912 246 2HB ALA 29 2HB ALA 29 -7.262 3.973 -1.508 247 3HB ALA 29 3HB ALA 29 -5.501 4.121 -1.598 248 H PHE 30 H PHE 30 -3.886 3.295 0.016 249 HA PHE 30 HA PHE 30 -4.014 0.636 -0.864 250 1HB PHE 30 2HB PHE 30 -1.946 2.585 -0.045 251 2HB PHE 30 1HB PHE 30 -1.512 0.900 -0.262 252 HD1 PHE 30 1HD PHE 30 -1.927 3.964 -1.855 253 HD2 PHE 30 2HD PHE 30 -2.508 -0.225 -2.426 254 HE1 PHE 30 1HE PHE 30 -2.095 4.342 -4.245 255 HE2 PHE 30 2HE PHE 30 -2.578 0.122 -4.850 256 HZ PHE 30 HZ PHE 30 -2.403 2.408 -5.800 257 H ILE 31 H ILE 31 -3.271 2.283 2.223 258 HA ILE 31 HA ILE 31 -2.424 -0.009 3.627 259 HB ILE 31 HB ILE 31 -4.247 2.131 4.788 260 1HG1 ILE 31 2HG1 ILE 31 -1.224 2.059 4.859 261 2HG1 ILE 31 1HG1 ILE 31 -2.152 3.086 3.774 262 1HG2 ILE 31 1HG2 ILE 31 -3.031 1.462 6.912 263 2HG2 ILE 31 2HG2 ILE 31 -2.351 0.107 6.013 264 3HG2 ILE 31 3HG2 ILE 31 -4.096 0.223 6.250 265 1HD1 ILE 31 1HD1 ILE 31 -2.450 4.591 5.439 266 2HD1 ILE 31 2HD1 ILE 31 -1.513 3.570 6.524 267 3HD1 ILE 31 3HD1 ILE 31 -3.257 3.364 6.403 268 H ASN 32 H ASN 32 -5.553 1.336 2.826 269 HA ASN 32 HA ASN 32 -7.171 -0.517 4.252 270 1HB ASN 32 2HB ASN 32 -7.574 1.528 2.109 271 2HB ASN 32 1HB ASN 32 -8.876 0.387 2.447 272 1HD2 ASN 32 1HD2 ASN 32 -7.337 3.279 3.517 273 2HD2 ASN 32 2HD2 ASN 32 -8.188 3.454 4.975 274 H SER 33 H SER 33 -5.809 -0.545 0.984 275 HA SER 33 HA SER 33 -7.415 -2.748 0.125 276 1HB SER 33 2HB SER 33 -4.750 -1.887 -0.980 277 2HB SER 33 1HB SER 33 -6.037 -2.771 -1.797 278 HG SER 33 HG SER 33 -6.058 -0.088 -0.883 279 H LEU 34 H LEU 34 -4.300 -2.371 1.702 280 HA LEU 34 HA LEU 34 -3.234 -4.968 1.379 281 1HB LEU 34 2HB LEU 34 -2.974 -3.602 4.054 282 2HB LEU 34 1HB LEU 34 -1.807 -4.603 3.202 283 HG LEU 34 HG LEU 34 -2.582 -1.765 2.598 284 1HD1 LEU 34 1HD1 LEU 34 -0.106 -3.138 3.579 285 2HD1 LEU 34 2HD1 LEU 34 -0.945 -1.750 4.271 286 3HD1 LEU 34 3HD1 LEU 34 -0.017 -1.571 2.780 287 1HD2 LEU 34 1HD2 LEU 34 -2.304 -2.559 0.429 288 2HD2 LEU 34 2HD2 LEU 34 -1.167 -3.803 0.938 289 3HD2 LEU 34 3HD2 LEU 34 -0.648 -2.122 0.855 290 H ARG 35 H ARG 35 -5.389 -3.723 3.914 291 HA ARG 35 HA ARG 35 -5.607 -6.251 5.245 292 1HB ARG 35 2HB ARG 35 -7.430 -5.180 6.529 293 2HB ARG 35 1HB ARG 35 -5.957 -4.225 6.482 294 1HG ARG 35 2HG ARG 35 -6.902 -2.852 4.658 295 2HG ARG 35 1HG ARG 35 -8.401 -3.776 4.754 296 1HD ARG 35 2HD ARG 35 -8.642 -3.066 7.130 297 2HD ARG 35 1HD ARG 35 -7.184 -2.092 6.965 298 HE ARG 35 HE ARG 35 -8.489 -0.482 5.947 299 1HH1 ARG 35 1HH2 ARG 35 -11.028 -1.508 7.053 300 2HH1 ARG 35 2HH2 ARG 35 -11.984 -1.806 5.642 301 1HH2 ARG 35 1HH1 ARG 35 -9.278 -1.762 3.481 302 2HH2 ARG 35 2HH1 ARG 35 -10.994 -1.950 3.619 303 H ASP 36 H ASP 36 -7.392 -4.600 2.747 304 HA ASP 36 HA ASP 36 -9.657 -6.313 2.687 305 1HB ASP 36 2HB ASP 36 -9.481 -4.041 1.585 306 2HB ASP 36 1HB ASP 36 -8.416 -4.770 0.386 307 H ASP 37 H ASP 37 -6.370 -6.549 1.772 308 HA ASP 37 HA ASP 37 -6.495 -9.312 1.133 309 1HB ASP 37 2HB ASP 37 -7.531 -8.206 -0.940 310 2HB ASP 37 1HB ASP 37 -5.921 -7.593 -1.275 311 HA PRO 38 HA PRO 38 -2.308 -7.831 2.275 312 1HB PRO 38 2HB PRO 38 -1.764 -10.446 3.357 313 2HB PRO 38 1HB PRO 38 -2.005 -8.923 4.226 314 1HG PRO 38 2HG PRO 38 -3.727 -11.101 4.215 315 2HG PRO 38 1HG PRO 38 -4.093 -9.465 4.771 316 1HD PRO 38 2HD PRO 38 -4.932 -10.816 2.280 317 2HD PRO 38 1HD PRO 38 -5.677 -9.445 3.133 318 H SER 39 H SER 39 -3.225 -10.888 0.767 319 HA SER 39 HA SER 39 -0.714 -11.657 -0.252 320 1HB SER 39 2HB SER 39 -3.405 -12.146 -1.557 321 2HB SER 39 1HB SER 39 -1.936 -13.101 -1.746 322 HG SER 39 HG SER 39 -3.539 -12.770 0.573 323 H GLN 40 H GLN 40 -3.105 -9.339 -1.214 324 HA GLN 40 HA GLN 40 -1.723 -8.782 -3.723 325 1HB GLN 40 2HB GLN 40 -4.363 -7.855 -2.609 326 2HB GLN 40 1HB GLN 40 -3.672 -7.225 -4.102 327 1HG GLN 40 2HG GLN 40 -3.578 -9.513 -5.026 328 2HG GLN 40 1HG GLN 40 -4.290 -10.141 -3.545 329 1HE2 GLN 40 1HE2 GLN 40 -5.387 -10.160 -6.344 330 2HE2 GLN 40 2HE2 GLN 40 -6.897 -9.394 -6.237 331 H SER 41 H SER 41 -1.048 -7.947 -0.692 332 HA SER 41 HA SER 41 -1.111 -5.149 -0.531 333 1HB SER 41 2HB SER 41 0.590 -5.332 1.152 334 2HB SER 41 1HB SER 41 -0.323 -6.821 1.294 335 HG SER 41 HG SER 41 1.306 -7.919 0.444 336 H ALA 42 H ALA 42 1.018 -7.374 -2.115 337 HA ALA 42 HA ALA 42 2.955 -5.603 -3.099 338 1HB ALA 42 1HB ALA 42 3.671 -7.481 -4.445 339 2HB ALA 42 2HB ALA 42 2.137 -8.300 -4.146 340 3HB ALA 42 3HB ALA 42 3.273 -8.043 -2.820 341 H ASN 43 H ASN 43 -0.083 -6.887 -4.414 342 HA ASN 43 HA ASN 43 0.232 -5.927 -7.091 343 1HB ASN 43 2HB ASN 43 -1.348 -7.732 -6.218 344 2HB ASN 43 1HB ASN 43 -2.345 -6.410 -5.602 345 1HD2 ASN 43 1HD2 ASN 43 -3.921 -5.766 -7.015 346 2HD2 ASN 43 2HD2 ASN 43 -3.858 -5.905 -8.706 347 H LEU 44 H LEU 44 -1.126 -4.881 -4.139 348 HA LEU 44 HA LEU 44 -2.363 -2.468 -5.009 349 1HB LEU 44 2HB LEU 44 -1.441 -3.519 -2.344 350 2HB LEU 44 1HB LEU 44 -2.386 -2.057 -2.532 351 HG LEU 44 HG LEU 44 -3.251 -4.636 -3.765 352 1HD1 LEU 44 1HD1 LEU 44 -3.336 -5.345 -1.570 353 2HD1 LEU 44 2HD1 LEU 44 -4.915 -4.590 -1.738 354 3HD1 LEU 44 3HD1 LEU 44 -3.602 -3.720 -0.945 355 1HD2 LEU 44 1HD2 LEU 44 -5.438 -3.427 -3.634 356 2HD2 LEU 44 2HD2 LEU 44 -4.220 -2.699 -4.687 357 3HD2 LEU 44 3HD2 LEU 44 -4.525 -2.017 -3.079 358 H LEU 45 H LEU 45 0.644 -3.497 -3.750 359 HA LEU 45 HA LEU 45 1.900 -1.000 -3.417 360 1HB LEU 45 2HB LEU 45 2.484 -3.733 -3.161 361 2HB LEU 45 1HB LEU 45 3.596 -3.179 -4.386 362 HG LEU 45 HG LEU 45 3.232 -1.699 -1.805 363 1HD1 LEU 45 1HD1 LEU 45 5.344 -3.802 -2.303 364 2HD1 LEU 45 2HD1 LEU 45 3.779 -4.242 -1.597 365 3HD1 LEU 45 3HD1 LEU 45 4.838 -3.091 -0.774 366 1HD2 LEU 45 1HD2 LEU 45 5.863 -1.710 -2.973 367 2HD2 LEU 45 2HD2 LEU 45 4.743 -0.355 -2.802 368 3HD2 LEU 45 3HD2 LEU 45 4.688 -1.363 -4.251 369 H ALA 46 H ALA 46 1.490 -3.310 -5.971 370 HA ALA 46 HA ALA 46 3.113 -2.172 -7.963 371 1HB ALA 46 1HB ALA 46 0.579 -3.512 -8.764 372 2HB ALA 46 2HB ALA 46 1.643 -4.462 -7.731 373 3HB ALA 46 3HB ALA 46 2.233 -3.853 -9.280 374 H GLU 47 H GLU 47 -0.284 -1.909 -7.099 375 HA GLU 47 HA GLU 47 -1.133 -0.127 -9.105 376 1HB GLU 47 2HB GLU 47 -2.002 -1.041 -6.406 377 2HB GLU 47 1HB GLU 47 -2.827 0.338 -7.135 378 1HG GLU 47 2HG GLU 47 -3.590 -0.962 -8.962 379 2HG GLU 47 1HG GLU 47 -2.425 -2.243 -8.643 380 H ALA 48 H ALA 48 0.113 0.218 -5.862 381 HA ALA 48 HA ALA 48 -0.123 2.959 -5.487 382 1HB ALA 48 1HB ALA 48 0.909 0.799 -4.087 383 2HB ALA 48 2HB ALA 48 0.849 2.469 -3.537 384 3HB ALA 48 3HB ALA 48 2.291 1.853 -4.346 385 H LYS 49 H LYS 49 2.525 1.027 -6.766 386 HA LYS 49 HA LYS 49 4.268 3.212 -7.288 387 1HB LYS 49 2HB LYS 49 4.122 0.417 -8.456 388 2HB LYS 49 1HB LYS 49 5.400 1.571 -8.847 389 1HG LYS 49 2HG LYS 49 5.978 1.741 -6.442 390 2HG LYS 49 1HG LYS 49 4.724 0.568 -6.060 391 1HD LYS 49 2HD LYS 49 5.895 -1.071 -7.583 392 2HD LYS 49 1HD LYS 49 7.207 0.099 -7.735 393 1HE LYS 49 2HE LYS 49 6.928 -0.004 -5.013 394 2HE LYS 49 1HE LYS 49 6.496 -1.656 -5.456 395 1HZ LYS 49 1HZ LYS 49 8.867 -1.438 -5.085 396 2HZ LYS 49 2HZ LYS 49 8.970 -0.231 -6.276 397 3HZ LYS 49 3HZ LYS 49 8.554 -1.821 -6.707 398 H LYS 50 H LYS 50 1.689 1.595 -9.062 399 HA LYS 50 HA LYS 50 2.118 3.014 -11.527 400 1HB LYS 50 2HB LYS 50 -0.143 1.353 -10.407 401 2HB LYS 50 1HB LYS 50 -0.310 2.220 -11.935 402 1HG LYS 50 2HG LYS 50 1.792 1.073 -12.729 403 2HG LYS 50 1HG LYS 50 1.761 0.103 -11.261 404 1HD LYS 50 2HD LYS 50 -0.537 0.233 -13.241 405 2HD LYS 50 1HD LYS 50 0.707 -1.016 -13.266 406 1HE LYS 50 2HE LYS 50 0.056 -1.367 -10.753 407 2HE LYS 50 1HE LYS 50 -1.425 -0.518 -11.197 408 1HZ LYS 50 1HZ LYS 50 -1.706 -2.883 -11.455 409 2HZ LYS 50 2HZ LYS 50 -0.356 -2.971 -12.484 410 3HZ LYS 50 3HZ LYS 50 -1.750 -2.136 -12.978 411 H LEU 51 H LEU 51 0.242 3.449 -8.621 412 HA LEU 51 HA LEU 51 -1.403 5.617 -9.435 413 1HB LEU 51 2HB LEU 51 -0.690 4.154 -6.994 414 2HB LEU 51 1HB LEU 51 -1.094 5.818 -6.733 415 HG LEU 51 HG LEU 51 -3.050 4.374 -6.503 416 1HD1 LEU 51 1HD1 LEU 51 -3.342 6.049 -8.999 417 2HD1 LEU 51 2HD1 LEU 51 -3.172 6.756 -7.384 418 3HD1 LEU 51 3HD1 LEU 51 -4.554 5.718 -7.760 419 1HD2 LEU 51 1HD2 LEU 51 -2.711 2.529 -7.888 420 2HD2 LEU 51 2HD2 LEU 51 -2.200 3.516 -9.258 421 3HD2 LEU 51 3HD2 LEU 51 -3.906 3.443 -8.815 422 H ASN 52 H ASN 52 1.563 5.336 -7.614 423 HA ASN 52 HA ASN 52 1.944 8.008 -6.935 424 1HB ASN 52 2HB ASN 52 3.077 6.042 -5.935 425 2HB ASN 52 1HB ASN 52 3.983 5.824 -7.430 426 1HD2 ASN 52 1HD2 ASN 52 5.917 6.988 -7.620 427 2HD2 ASN 52 2HD2 ASN 52 6.401 8.220 -6.560 428 H ASP 53 H ASP 53 3.118 6.058 -9.585 429 HA ASP 53 HA ASP 53 4.487 8.129 -10.914 430 1HB ASP 53 2HB ASP 53 3.520 5.430 -11.846 431 2HB ASP 53 1HB ASP 53 4.585 6.476 -12.781 432 H ALA 54 H ALA 54 1.266 6.723 -11.188 433 HA ALA 54 HA ALA 54 0.561 7.985 -13.660 434 1HB ALA 54 1HB ALA 54 -1.753 7.328 -12.978 435 2HB ALA 54 2HB ALA 54 -1.070 6.781 -11.447 436 3HB ALA 54 3HB ALA 54 -0.582 6.009 -12.963 437 H GLN 55 H GLN 55 -0.103 8.826 -10.265 438 HA GLN 55 HA GLN 55 -1.823 11.018 -11.031 439 1HB GLN 55 2HB GLN 55 -0.617 10.182 -8.392 440 2HB GLN 55 1HB GLN 55 -1.732 11.523 -8.594 441 1HG GLN 55 2HG GLN 55 -3.421 9.961 -9.527 442 2HG GLN 55 1HG GLN 55 -2.314 8.622 -9.211 443 1HE2 GLN 55 1HE2 GLN 55 -1.693 10.803 -6.775 444 2HE2 GLN 55 2HE2 GLN 55 -2.756 10.180 -5.600 445 H ALA 56 H ALA 56 1.362 10.575 -9.653 446 HA ALA 56 HA ALA 56 3.028 12.119 -9.121 447 1HB ALA 56 1HB ALA 56 3.400 11.498 -11.496 448 2HB ALA 56 2HB ALA 56 3.967 13.126 -11.126 449 3HB ALA 56 3HB ALA 56 2.446 12.897 -11.990 450 HA PRO 57 HA PRO 57 -0.581 15.310 -8.403 451 1HB PRO 57 2HB PRO 57 0.743 15.618 -5.838 452 2HB PRO 57 1HB PRO 57 -0.872 14.976 -6.189 453 1HG PRO 57 2HG PRO 57 1.699 13.548 -5.870 454 2HG PRO 57 1HG PRO 57 0.044 13.005 -5.515 455 1HD PRO 57 2HD PRO 57 1.247 12.003 -7.641 456 2HD PRO 57 1HD PRO 57 -0.417 12.579 -7.794 457 H LYS 58 H LYS 58 0.137 16.910 -9.769 458 HA LYS 58 HA LYS 58 2.687 18.184 -9.597 459 1HB LYS 58 2HB LYS 58 0.137 19.104 -10.956 460 2HB LYS 58 1HB LYS 58 1.753 19.751 -11.246 461 1HG LYS 58 2HG LYS 58 2.506 17.483 -11.952 462 2HG LYS 58 1HG LYS 58 0.858 16.892 -11.737 463 1HD LYS 58 2HD LYS 58 0.096 18.632 -13.398 464 2HD LYS 58 1HD LYS 58 1.795 19.003 -13.703 465 1HE LYS 58 2HE LYS 58 1.384 17.422 -15.366 466 2HE LYS 58 1HE LYS 58 1.990 16.395 -14.066 467 1HZ LYS 58 1HZ LYS 58 -0.800 16.811 -14.937 468 2HZ LYS 58 2HZ LYS 58 -0.446 16.224 -13.382 469 3HZ LYS 58 3HZ LYS 58 0.049 15.353 -14.754 Start of MODEL 13 1 1H VAL 1 1HT VAL 1 5.929 -9.820 17.919 2 2H VAL 1 2HT VAL 1 6.336 -9.819 16.270 3 3H VAL 1 3HT VAL 1 7.031 -10.961 17.319 4 HA VAL 1 HA VAL 1 5.370 -12.096 16.106 5 HB VAL 1 HB VAL 1 4.255 -11.319 18.828 6 1HG1 VAL 1 1HG1 VAL 1 3.843 -13.764 17.072 7 2HG1 VAL 1 2HG1 VAL 1 2.626 -12.563 17.505 8 3HG1 VAL 1 3HG1 VAL 1 3.289 -13.630 18.742 9 1HG2 VAL 1 1HG2 VAL 1 5.505 -13.377 19.585 10 2HG2 VAL 1 2HG2 VAL 1 6.557 -12.056 19.079 11 3HG2 VAL 1 3HG2 VAL 1 6.283 -13.427 18.003 12 H ASP 2 H ASP 2 3.894 -11.699 14.593 13 HA ASP 2 HA ASP 2 1.584 -10.031 15.109 14 1HB ASP 2 2HB ASP 2 1.978 -8.466 13.276 15 2HB ASP 2 1HB ASP 2 3.276 -8.350 14.458 16 H ASN 3 H ASN 3 0.084 -10.027 13.225 17 HA ASN 3 HA ASN 3 -0.214 -12.682 12.194 18 1HB ASN 3 2HB ASN 3 -1.710 -10.160 11.432 19 2HB ASN 3 1HB ASN 3 -2.226 -11.815 11.119 20 1HD2 ASN 3 1HD2 ASN 3 -3.131 -9.415 13.034 21 2HD2 ASN 3 2HD2 ASN 3 -3.464 -10.240 14.480 22 H LYS 4 H LYS 4 -0.592 -13.138 9.858 23 HA LYS 4 HA LYS 4 1.653 -12.531 8.279 24 1HB LYS 4 2HB LYS 4 -1.025 -13.326 7.190 25 2HB LYS 4 1HB LYS 4 0.543 -13.607 6.457 26 1HG LYS 4 2HG LYS 4 -0.375 -14.845 9.076 27 2HG LYS 4 1HG LYS 4 -0.369 -15.667 7.519 28 1HD LYS 4 2HD LYS 4 2.113 -15.210 7.372 29 2HD LYS 4 1HD LYS 4 2.041 -14.611 9.030 30 1HE LYS 4 2HE LYS 4 2.671 -16.878 9.270 31 2HE LYS 4 1HE LYS 4 0.940 -16.880 9.603 32 1HZ LYS 4 1HZ LYS 4 1.475 -18.651 8.092 33 2HZ LYS 4 2HZ LYS 4 2.244 -17.574 7.026 34 3HZ LYS 4 3HZ LYS 4 0.564 -17.482 7.266 35 H PHE 5 H PHE 5 -1.514 -11.141 8.531 36 HA PHE 5 HA PHE 5 -1.528 -9.439 6.308 37 1HB PHE 5 2HB PHE 5 -2.736 -9.286 9.056 38 2HB PHE 5 1HB PHE 5 -2.879 -7.954 7.927 39 HD1 PHE 5 1HD PHE 5 -2.927 -11.649 7.253 40 HD2 PHE 5 2HD PHE 5 -5.118 -7.933 7.335 41 HE1 PHE 5 1HE PHE 5 -4.904 -12.755 6.205 42 HE2 PHE 5 2HE PHE 5 -7.064 -9.039 6.290 43 HZ PHE 5 HZ PHE 5 -6.959 -11.430 5.721 44 H ASN 6 H ASN 6 -0.705 -8.748 9.690 45 HA ASN 6 HA ASN 6 0.160 -6.137 9.373 46 1HB ASN 6 2HB ASN 6 1.197 -8.207 11.298 47 2HB ASN 6 1HB ASN 6 1.382 -6.466 11.464 48 1HD2 ASN 6 1HD2 ASN 6 -1.155 -5.501 10.844 49 2HD2 ASN 6 2HD2 ASN 6 -2.300 -6.132 11.926 50 H LYS 7 H LYS 7 2.096 -9.141 9.270 51 HA LYS 7 HA LYS 7 4.562 -7.892 8.828 52 1HB LYS 7 2HB LYS 7 4.530 -10.170 9.482 53 2HB LYS 7 1HB LYS 7 3.531 -10.632 8.112 54 1HG LYS 7 2HG LYS 7 5.913 -11.264 7.777 55 2HG LYS 7 1HG LYS 7 5.372 -10.107 6.567 56 1HD LYS 7 2HD LYS 7 7.601 -9.506 7.449 57 2HD LYS 7 1HD LYS 7 6.414 -8.269 7.843 58 1HE LYS 7 2HE LYS 7 6.630 -10.395 9.866 59 2HE LYS 7 1HE LYS 7 8.105 -9.454 9.650 60 1HZ LYS 7 1HZ LYS 7 6.993 -8.172 11.157 61 2HZ LYS 7 2HZ LYS 7 5.456 -8.590 10.565 62 3HZ LYS 7 3HZ LYS 7 6.422 -7.475 9.720 63 H GLU 8 H GLU 8 2.130 -9.150 6.529 64 HA GLU 8 HA GLU 8 3.672 -8.441 4.217 65 1HB GLU 8 2HB GLU 8 1.730 -10.090 4.347 66 2HB GLU 8 1HB GLU 8 0.658 -8.693 4.413 67 1HG GLU 8 2HG GLU 8 0.802 -9.351 2.112 68 2HG GLU 8 1HG GLU 8 1.728 -7.869 2.294 69 H ARG 9 H ARG 9 1.350 -6.851 6.247 70 HA ARG 9 HA ARG 9 0.933 -4.568 4.644 71 1HB ARG 9 2HB ARG 9 0.267 -5.260 7.486 72 2HB ARG 9 1HB ARG 9 -0.043 -3.653 6.832 73 1HG ARG 9 2HG ARG 9 -1.509 -4.480 5.188 74 2HG ARG 9 1HG ARG 9 -0.988 -6.139 5.393 75 1HD ARG 9 2HD ARG 9 -3.053 -6.094 6.493 76 2HD ARG 9 1HD ARG 9 -1.912 -5.871 7.818 77 HE ARG 9 HE ARG 9 -3.832 -3.940 6.851 78 1HH1 ARG 9 1HH1 ARG 9 -2.447 -4.513 9.654 79 2HH1 ARG 9 2HH1 ARG 9 -1.757 -2.952 9.945 80 1HH2 ARG 9 1HH2 ARG 9 -2.213 -1.858 6.688 81 2HH2 ARG 9 2HH2 ARG 9 -1.624 -1.448 8.264 82 H VAL 10 H VAL 10 3.217 -5.317 7.222 83 HA VAL 10 HA VAL 10 4.023 -2.658 7.778 84 HB VAL 10 HB VAL 10 5.853 -5.073 7.875 85 1HG1 VAL 10 1HG1 VAL 10 6.697 -2.597 8.037 86 2HG1 VAL 10 2HG1 VAL 10 7.256 -3.767 9.240 87 3HG1 VAL 10 3HG1 VAL 10 5.971 -2.634 9.649 88 1HG2 VAL 10 1HG2 VAL 10 3.559 -4.421 9.574 89 2HG2 VAL 10 2HG2 VAL 10 5.059 -4.544 10.488 90 3HG2 VAL 10 3HG2 VAL 10 4.524 -5.900 9.492 91 H ILE 11 H ILE 11 5.202 -5.180 5.752 92 HA ILE 11 HA ILE 11 7.338 -3.822 4.568 93 HB ILE 11 HB ILE 11 5.630 -6.133 3.610 94 1HG1 ILE 11 2HG1 ILE 11 8.305 -6.227 5.041 95 2HG1 ILE 11 1HG1 ILE 11 6.772 -6.298 5.912 96 1HG2 ILE 11 1HG2 ILE 11 6.978 -5.144 1.801 97 2HG2 ILE 11 2HG2 ILE 11 7.579 -6.749 2.259 98 3HG2 ILE 11 3HG2 ILE 11 8.427 -5.295 2.802 99 1HD1 ILE 11 1HD1 ILE 11 7.738 -8.559 5.399 100 2HD1 ILE 11 2HD1 ILE 11 7.547 -8.196 3.674 101 3HD1 ILE 11 3HD1 ILE 11 6.126 -8.314 4.719 102 H ALA 12 H ALA 12 4.038 -4.479 3.518 103 HA ALA 12 HA ALA 12 4.140 -3.073 1.069 104 1HB ALA 12 1HB ALA 12 2.517 -4.706 1.281 105 2HB ALA 12 2HB ALA 12 1.601 -3.201 1.377 106 3HB ALA 12 3HB ALA 12 1.978 -4.106 2.855 107 H ILE 13 H ILE 13 2.770 -2.120 4.257 108 HA ILE 13 HA ILE 13 1.815 0.390 3.411 109 HB ILE 13 HB ILE 13 1.267 -0.757 5.618 110 1HG1 ILE 13 2HG1 ILE 13 1.897 2.077 5.135 111 2HG1 ILE 13 1HG1 ILE 13 0.420 1.349 5.739 112 1HG2 ILE 13 1HG2 ILE 13 3.829 0.487 6.645 113 2HG2 ILE 13 2HG2 ILE 13 3.786 -1.166 6.074 114 3HG2 ILE 13 3HG2 ILE 13 2.787 -0.696 7.434 115 1HD1 ILE 13 1HD1 ILE 13 1.321 2.700 7.510 116 2HD1 ILE 13 2HD1 ILE 13 2.928 2.000 7.289 117 3HD1 ILE 13 3HD1 ILE 13 1.617 1.014 7.941 118 H GLY 14 H GLY 14 4.864 -0.817 4.533 119 1HA GLY 14 2HA GLY 14 6.226 1.607 4.819 120 2HA GLY 14 1HA GLY 14 6.969 0.009 4.611 121 H GLU 15 H GLU 15 5.669 -0.661 2.112 122 HA GLU 15 HA GLU 15 7.411 0.653 0.267 123 1HB GLU 15 2HB GLU 15 5.001 -1.130 -0.169 124 2HB GLU 15 1HB GLU 15 6.049 -0.574 -1.467 125 1HG GLU 15 2HG GLU 15 6.511 -2.667 0.590 126 2HG GLU 15 1HG GLU 15 7.011 -2.613 -1.083 127 H ILE 16 H ILE 16 3.941 0.711 0.877 128 HA ILE 16 HA ILE 16 3.357 2.559 -1.141 129 HB ILE 16 HB ILE 16 1.817 1.345 1.091 130 1HG1 ILE 16 2HG1 ILE 16 1.415 1.347 -1.899 131 2HG1 ILE 16 1HG1 ILE 16 2.535 0.254 -1.111 132 1HG2 ILE 16 1HG2 ILE 16 -0.023 2.662 0.844 133 2HG2 ILE 16 2HG2 ILE 16 0.249 2.904 -0.894 134 3HG2 ILE 16 3HG2 ILE 16 1.112 3.889 0.285 135 1HD1 ILE 16 1HD1 ILE 16 0.825 -1.119 -0.705 136 2HD1 ILE 16 2HD1 ILE 16 -0.302 0.053 -1.381 137 3HD1 ILE 16 3HD1 ILE 16 0.117 0.110 0.338 138 H MET 17 H MET 17 3.822 2.974 2.321 139 HA MET 17 HA MET 17 3.058 5.692 2.454 140 1HB MET 17 2HB MET 17 4.815 3.952 4.203 141 2HB MET 17 1HB MET 17 4.474 5.648 4.589 142 1HG MET 17 2HG MET 17 2.295 3.615 4.040 143 2HG MET 17 1HG MET 17 2.904 3.938 5.661 144 1HE MET 17 1HE MET 17 -0.048 4.320 3.858 145 2HE MET 17 2HE MET 17 -0.757 5.491 4.972 146 3HE MET 17 3HE MET 17 0.116 4.096 5.604 147 H ARG 18 H ARG 18 5.876 4.152 1.207 148 HA ARG 18 HA ARG 18 7.739 6.312 1.466 149 1HB ARG 18 2HB ARG 18 8.457 3.998 1.186 150 2HB ARG 18 1HB ARG 18 7.627 3.899 -0.360 151 1HG ARG 18 2HG ARG 18 9.117 5.715 -1.226 152 2HG ARG 18 1HG ARG 18 10.010 5.653 0.299 153 1HD ARG 18 2HD ARG 18 9.581 3.292 -1.548 154 2HD ARG 18 1HD ARG 18 11.050 4.266 -1.507 155 HE ARG 18 HE ARG 18 11.275 3.512 0.878 156 1HH1 ARG 18 1HH1 ARG 18 11.721 1.251 -1.145 157 2HH1 ARG 18 2HH1 ARG 18 10.828 -0.038 -0.410 158 1HH2 ARG 18 1HH2 ARG 18 9.092 2.041 1.746 159 2HH2 ARG 18 2HH2 ARG 18 9.345 0.407 1.226 160 H LEU 19 H LEU 19 5.376 5.291 -0.883 161 HA LEU 19 HA LEU 19 6.021 6.571 -3.190 162 1HB LEU 19 2HB LEU 19 3.257 6.412 -2.017 163 2HB LEU 19 1HB LEU 19 3.676 6.511 -3.730 164 HG LEU 19 HG LEU 19 4.510 4.261 -1.869 165 1HD1 LEU 19 1HD1 LEU 19 2.483 4.191 -4.098 166 2HD1 LEU 19 2HD1 LEU 19 2.060 4.337 -2.391 167 3HD1 LEU 19 3HD1 LEU 19 2.889 2.896 -2.970 168 1HD2 LEU 19 1HD2 LEU 19 4.955 3.230 -4.233 169 2HD2 LEU 19 2HD2 LEU 19 6.147 4.300 -3.492 170 3HD2 LEU 19 3HD2 LEU 19 5.051 4.921 -4.739 171 HA PRO 20 HA PRO 20 5.848 10.883 -1.779 172 1HB PRO 20 2HB PRO 20 7.279 11.637 -4.161 173 2HB PRO 20 1HB PRO 20 7.895 11.528 -2.505 174 1HG PRO 20 2HG PRO 20 8.616 9.885 -4.610 175 2HG PRO 20 1HG PRO 20 8.866 9.536 -2.891 176 1HD PRO 20 2HD PRO 20 6.786 8.482 -4.752 177 2HD PRO 20 1HD PRO 20 7.561 7.711 -3.349 178 H ASN 21 H ASN 21 4.521 9.414 -4.592 179 HA ASN 21 HA ASN 21 3.299 11.974 -5.452 180 1HB ASN 21 2HB ASN 21 4.032 9.479 -6.901 181 2HB ASN 21 1HB ASN 21 2.802 10.536 -7.566 182 1HD2 ASN 21 1HD2 ASN 21 5.849 9.924 -8.191 183 2HD2 ASN 21 2HD2 ASN 21 6.483 11.478 -8.433 184 H LEU 22 H LEU 22 2.223 10.543 -3.234 185 HA LEU 22 HA LEU 22 -0.461 10.012 -4.318 186 1HB LEU 22 2HB LEU 22 1.052 8.327 -2.322 187 2HB LEU 22 1HB LEU 22 -0.706 8.253 -2.500 188 HG LEU 22 HG LEU 22 1.142 7.920 -4.868 189 1HD1 LEU 22 1HD1 LEU 22 -0.085 5.643 -3.325 190 2HD1 LEU 22 2HD1 LEU 22 1.520 6.253 -2.940 191 3HD1 LEU 22 3HD1 LEU 22 1.189 5.598 -4.540 192 1HD2 LEU 22 1HD2 LEU 22 -1.290 6.416 -4.911 193 2HD2 LEU 22 2HD2 LEU 22 -0.808 7.752 -5.971 194 3HD2 LEU 22 3HD2 LEU 22 -1.683 8.083 -4.467 195 H ASN 23 H ASN 23 -2.150 10.645 -3.058 196 HA ASN 23 HA ASN 23 -1.523 12.604 -0.977 197 1HB ASN 23 2HB ASN 23 -4.149 12.567 -0.841 198 2HB ASN 23 1HB ASN 23 -3.368 13.351 -2.209 199 1HD2 ASN 23 1HD2 ASN 23 -3.293 12.111 -4.281 200 2HD2 ASN 23 2HD2 ASN 23 -4.439 10.889 -4.564 201 H SER 24 H SER 24 -2.277 12.331 1.187 202 HA SER 24 HA SER 24 -1.568 9.930 2.307 203 1HB SER 24 2HB SER 24 -3.606 11.827 3.426 204 2HB SER 24 1HB SER 24 -2.688 10.607 4.320 205 HG SER 24 HG SER 24 -0.791 11.726 3.720 206 H LEU 25 H LEU 25 -4.719 10.896 1.056 207 HA LEU 25 HA LEU 25 -6.248 8.769 2.117 208 1HB LEU 25 2HB LEU 25 -6.535 10.370 -0.428 209 2HB LEU 25 1HB LEU 25 -7.727 9.210 0.137 210 HG LEU 25 HG LEU 25 -7.960 10.538 2.248 211 1HD1 LEU 25 1HD1 LEU 25 -5.927 12.256 0.829 212 2HD1 LEU 25 2HD1 LEU 25 -5.988 11.787 2.530 213 3HD1 LEU 25 3HD1 LEU 25 -7.109 12.997 1.907 214 1HD2 LEU 25 1HD2 LEU 25 -8.890 12.628 0.911 215 2HD2 LEU 25 2HD2 LEU 25 -9.643 11.040 0.736 216 3HD2 LEU 25 3HD2 LEU 25 -8.504 11.617 -0.486 217 H GLN 26 H GLN 26 -4.536 9.122 -1.004 218 HA GLN 26 HA GLN 26 -5.199 6.560 -1.949 219 1HB GLN 26 2HB GLN 26 -3.025 8.489 -2.552 220 2HB GLN 26 1HB GLN 26 -3.045 6.910 -3.301 221 1HG GLN 26 2HG GLN 26 -5.488 8.667 -3.316 222 2HG GLN 26 1HG GLN 26 -4.224 8.886 -4.527 223 1HE2 GLN 26 1HE2 GLN 26 -5.917 8.177 -6.138 224 2HE2 GLN 26 2HE2 GLN 26 -6.213 6.518 -6.341 225 H VAL 27 H VAL 27 -2.498 7.902 -0.226 226 HA VAL 27 HA VAL 27 -0.839 5.679 -0.029 227 HB VAL 27 HB VAL 27 -1.367 8.121 1.654 228 1HG1 VAL 27 1HG1 VAL 27 0.247 5.779 2.411 229 2HG1 VAL 27 2HG1 VAL 27 -0.492 7.044 3.413 230 3HG1 VAL 27 3HG1 VAL 27 1.037 7.348 2.584 231 1HG2 VAL 27 1HG2 VAL 27 1.110 8.476 0.886 232 2HG2 VAL 27 2HG2 VAL 27 -0.195 8.742 -0.270 233 3HG2 VAL 27 3HG2 VAL 27 0.728 7.240 -0.311 234 H VAL 28 H VAL 28 -3.482 6.860 1.928 235 HA VAL 28 HA VAL 28 -3.410 4.700 3.799 236 HB VAL 28 HB VAL 28 -5.534 6.776 3.391 237 1HG1 VAL 28 1HG1 VAL 28 -6.337 4.724 4.559 238 2HG1 VAL 28 2HG1 VAL 28 -6.167 6.058 5.706 239 3HG1 VAL 28 3HG1 VAL 28 -4.927 4.800 5.627 240 1HG2 VAL 28 1HG2 VAL 28 -4.217 8.121 4.696 241 2HG2 VAL 28 2HG2 VAL 28 -2.903 7.043 4.200 242 3HG2 VAL 28 3HG2 VAL 28 -3.734 6.775 5.733 243 H ALA 29 H ALA 29 -5.117 5.424 0.914 244 HA ALA 29 HA ALA 29 -7.211 3.604 0.925 245 1HB ALA 29 1HB ALA 29 -5.447 4.140 -1.467 246 2HB ALA 29 2HB ALA 29 -6.526 5.385 -0.822 247 3HB ALA 29 3HB ALA 29 -7.192 3.864 -1.421 248 H PHE 30 H PHE 30 -3.829 3.351 0.169 249 HA PHE 30 HA PHE 30 -3.896 0.679 -0.675 250 1HB PHE 30 2HB PHE 30 -1.822 2.671 0.093 251 2HB PHE 30 1HB PHE 30 -1.408 0.989 -0.137 252 HD1 PHE 30 1HD PHE 30 -1.829 4.041 -1.762 253 HD2 PHE 30 2HD PHE 30 -2.480 -0.155 -2.269 254 HE1 PHE 30 1HE PHE 30 -2.073 4.386 -4.149 255 HE2 PHE 30 2HE PHE 30 -2.639 0.170 -4.701 256 HZ PHE 30 HZ PHE 30 -2.464 2.447 -5.670 257 H ILE 31 H ILE 31 -3.261 2.385 2.411 258 HA ILE 31 HA ILE 31 -2.348 0.118 3.836 259 HB ILE 31 HB ILE 31 -4.238 2.231 4.941 260 1HG1 ILE 31 2HG1 ILE 31 -1.215 2.206 5.049 261 2HG1 ILE 31 1HG1 ILE 31 -2.147 3.202 3.940 262 1HG2 ILE 31 1HG2 ILE 31 -2.303 0.294 6.248 263 2HG2 ILE 31 2HG2 ILE 31 -4.059 0.310 6.412 264 3HG2 ILE 31 3HG2 ILE 31 -3.097 1.617 7.100 265 1HD1 ILE 31 1HD1 ILE 31 -2.468 4.730 5.571 266 2HD1 ILE 31 2HD1 ILE 31 -1.533 3.736 6.683 267 3HD1 ILE 31 3HD1 ILE 31 -3.275 3.513 6.549 268 H ASN 32 H ASN 32 -5.496 1.351 2.958 269 HA ASN 32 HA ASN 32 -7.079 -0.559 4.362 270 1HB ASN 32 2HB ASN 32 -7.508 1.510 2.252 271 2HB ASN 32 1HB ASN 32 -8.783 0.324 2.542 272 1HD2 ASN 32 1HD2 ASN 32 -6.662 2.610 4.349 273 2HD2 ASN 32 2HD2 ASN 32 -7.823 2.986 5.529 274 H SER 33 H SER 33 -5.818 -0.462 1.037 275 HA SER 33 HA SER 33 -7.321 -2.655 0.098 276 1HB SER 33 2HB SER 33 -4.600 -1.740 -0.827 277 2HB SER 33 1HB SER 33 -5.764 -2.703 -1.733 278 HG SER 33 HG SER 33 -6.210 -0.080 -0.740 279 H LEU 34 H LEU 34 -4.258 -2.406 1.812 280 HA LEU 34 HA LEU 34 -3.281 -5.025 1.417 281 1HB LEU 34 2HB LEU 34 -2.982 -3.711 4.104 282 2HB LEU 34 1HB LEU 34 -1.839 -4.728 3.235 283 HG LEU 34 HG LEU 34 -2.530 -1.849 2.734 284 1HD1 LEU 34 1HD1 LEU 34 -0.002 -1.687 2.831 285 2HD1 LEU 34 2HD1 LEU 34 -0.025 -3.340 3.432 286 3HD1 LEU 34 3HD1 LEU 34 -0.818 -2.061 4.351 287 1HD2 LEU 34 1HD2 LEU 34 -0.641 -2.275 0.897 288 2HD2 LEU 34 2HD2 LEU 34 -2.354 -2.454 0.518 289 3HD2 LEU 34 3HD2 LEU 34 -1.382 -3.874 0.885 290 H ARG 35 H ARG 35 -5.383 -3.787 4.008 291 HA ARG 35 HA ARG 35 -5.697 -6.363 5.244 292 1HB ARG 35 2HB ARG 35 -7.444 -5.255 6.605 293 2HB ARG 35 1HB ARG 35 -5.921 -4.380 6.578 294 1HG ARG 35 2HG ARG 35 -6.818 -2.874 4.833 295 2HG ARG 35 1HG ARG 35 -8.365 -3.716 4.915 296 1HD ARG 35 2HD ARG 35 -8.520 -3.106 7.329 297 2HD ARG 35 1HD ARG 35 -7.015 -2.203 7.175 298 HE ARG 35 HE ARG 35 -8.285 -0.477 6.318 299 1HH1 ARG 35 1HH2 ARG 35 -10.851 -1.836 7.233 300 2HH1 ARG 35 2HH2 ARG 35 -11.774 -1.854 5.769 301 1HH2 ARG 35 1HH1 ARG 35 -9.049 -1.219 3.735 302 2HH2 ARG 35 2HH1 ARG 35 -10.754 -1.507 3.790 303 H ASP 36 H ASP 36 -7.451 -4.503 2.874 304 HA ASP 36 HA ASP 36 -9.790 -6.119 2.780 305 1HB ASP 36 2HB ASP 36 -8.481 -4.288 0.741 306 2HB ASP 36 1HB ASP 36 -10.037 -5.072 0.486 307 H ASP 37 H ASP 37 -6.546 -6.447 1.771 308 HA ASP 37 HA ASP 37 -6.880 -9.151 0.922 309 1HB ASP 37 2HB ASP 37 -7.788 -7.778 -1.045 310 2HB ASP 37 1HB ASP 37 -6.127 -7.272 -1.310 311 HA PRO 38 HA PRO 38 -2.637 -8.085 2.276 312 1HB PRO 38 2HB PRO 38 -2.328 -10.796 3.193 313 2HB PRO 38 1HB PRO 38 -2.441 -9.309 4.145 314 1HG PRO 38 2HG PRO 38 -4.350 -11.310 3.995 315 2HG PRO 38 1HG PRO 38 -4.571 -9.680 4.635 316 1HD PRO 38 2HD PRO 38 -5.500 -10.816 2.066 317 2HD PRO 38 1HD PRO 38 -6.125 -9.425 2.980 318 H SER 39 H SER 39 -3.697 -10.966 0.500 319 HA SER 39 HA SER 39 -1.147 -11.754 -0.453 320 1HB SER 39 2HB SER 39 -2.297 -13.179 -1.966 321 2HB SER 39 1HB SER 39 -3.311 -13.120 -0.530 322 HG SER 39 HG SER 39 -4.337 -11.261 -1.739 323 H GLN 40 H GLN 40 -3.388 -9.277 -1.314 324 HA GLN 40 HA GLN 40 -2.018 -8.683 -3.812 325 1HB GLN 40 2HB GLN 40 -4.506 -7.607 -2.515 326 2HB GLN 40 1HB GLN 40 -3.784 -6.837 -3.924 327 1HG GLN 40 2HG GLN 40 -3.949 -8.952 -5.179 328 2HG GLN 40 1HG GLN 40 -4.657 -9.741 -3.775 329 1HE2 GLN 40 1HE2 GLN 40 -6.006 -6.781 -3.499 330 2HE2 GLN 40 2HE2 GLN 40 -7.379 -6.975 -4.475 331 H SER 41 H SER 41 -1.417 -8.027 -0.637 332 HA SER 41 HA SER 41 -0.968 -5.270 -0.494 333 1HB SER 41 2HB SER 41 0.580 -7.535 0.778 334 2HB SER 41 1HB SER 41 0.795 -5.848 1.213 335 HG SER 41 HG SER 41 -0.833 -7.357 2.348 336 H ALA 42 H ALA 42 0.752 -7.855 -1.978 337 HA ALA 42 HA ALA 42 3.162 -6.558 -2.681 338 1HB ALA 42 1HB ALA 42 1.759 -8.836 -4.072 339 2HB ALA 42 2HB ALA 42 2.741 -9.036 -2.613 340 3HB ALA 42 3HB ALA 42 3.490 -8.476 -4.111 341 H ASN 43 H ASN 43 0.083 -7.076 -4.259 342 HA ASN 43 HA ASN 43 0.743 -6.025 -6.831 343 1HB ASN 43 2HB ASN 43 -1.724 -6.683 -5.289 344 2HB ASN 43 1HB ASN 43 -1.826 -5.931 -6.878 345 1HD2 ASN 43 1HD2 ASN 43 -0.721 -8.862 -5.171 346 2HD2 ASN 43 2HD2 ASN 43 -0.639 -9.842 -6.554 347 H LEU 44 H LEU 44 -0.643 -4.879 -3.899 348 HA LEU 44 HA LEU 44 -1.774 -2.518 -4.832 349 1HB LEU 44 2HB LEU 44 -0.954 -3.456 -2.129 350 2HB LEU 44 1HB LEU 44 -1.816 -1.950 -2.376 351 HG LEU 44 HG LEU 44 -2.790 -4.502 -3.630 352 1HD1 LEU 44 1HD1 LEU 44 -4.451 -4.581 -1.702 353 2HD1 LEU 44 2HD1 LEU 44 -3.326 -3.544 -0.832 354 3HD1 LEU 44 3HD1 LEU 44 -2.821 -5.142 -1.363 355 1HD2 LEU 44 1HD2 LEU 44 -4.928 -3.274 -3.562 356 2HD2 LEU 44 2HD2 LEU 44 -3.676 -2.457 -4.500 357 3HD2 LEU 44 3HD2 LEU 44 -4.072 -1.894 -2.866 358 H LEU 45 H LEU 45 1.495 -3.047 -3.505 359 HA LEU 45 HA LEU 45 1.986 -0.194 -3.626 360 1HB LEU 45 2HB LEU 45 4.504 -1.506 -4.115 361 2HB LEU 45 1HB LEU 45 4.037 -0.497 -2.765 362 HG LEU 45 HG LEU 45 4.819 -2.618 -1.970 363 1HD1 LEU 45 1HD1 LEU 45 2.972 -1.565 -0.763 364 2HD1 LEU 45 2HD1 LEU 45 2.895 -3.324 -0.656 365 3HD1 LEU 45 3HD1 LEU 45 1.818 -2.461 -1.741 366 1HD2 LEU 45 1HD2 LEU 45 2.671 -4.216 -3.145 367 2HD2 LEU 45 2HD2 LEU 45 4.380 -4.579 -2.981 368 3HD2 LEU 45 3HD2 LEU 45 3.812 -3.574 -4.321 369 H ALA 46 H ALA 46 2.073 -2.929 -5.725 370 HA ALA 46 HA ALA 46 3.525 -1.878 -7.906 371 1HB ALA 46 1HB ALA 46 1.137 -3.409 -8.656 372 2HB ALA 46 2HB ALA 46 2.110 -4.214 -7.417 373 3HB ALA 46 3HB ALA 46 2.840 -3.773 -8.962 374 H GLU 47 H GLU 47 0.153 -1.794 -6.937 375 HA GLU 47 HA GLU 47 -0.843 -0.223 -9.078 376 1HB GLU 47 2HB GLU 47 -1.704 -1.260 -6.455 377 2HB GLU 47 1HB GLU 47 -2.403 0.309 -6.854 378 1HG GLU 47 2HG GLU 47 -2.716 -2.306 -8.310 379 2HG GLU 47 1HG GLU 47 -3.957 -1.213 -7.709 380 H ALA 48 H ALA 48 0.113 0.366 -5.797 381 HA ALA 48 HA ALA 48 -0.310 3.093 -5.603 382 1HB ALA 48 1HB ALA 48 0.793 2.957 -3.610 383 2HB ALA 48 2HB ALA 48 1.971 1.796 -4.230 384 3HB ALA 48 3HB ALA 48 0.332 1.281 -3.858 385 H LYS 49 H LYS 49 2.630 1.343 -6.489 386 HA LYS 49 HA LYS 49 4.225 3.666 -6.920 387 1HB LYS 49 2HB LYS 49 4.421 0.839 -8.000 388 2HB LYS 49 1HB LYS 49 5.620 2.087 -8.345 389 1HG LYS 49 2HG LYS 49 6.043 2.377 -5.941 390 2HG LYS 49 1HG LYS 49 4.824 1.168 -5.557 391 1HD LYS 49 2HD LYS 49 6.185 -0.464 -6.982 392 2HD LYS 49 1HD LYS 49 7.460 0.754 -6.989 393 1HE LYS 49 2HE LYS 49 6.303 -0.704 -4.599 394 2HE LYS 49 1HE LYS 49 7.968 -0.725 -5.173 395 1HZ LYS 49 1HZ LYS 49 7.895 0.729 -3.334 396 2HZ LYS 49 2HZ LYS 49 6.512 1.529 -3.912 397 3HZ LYS 49 3HZ LYS 49 8.002 1.722 -4.706 398 H LYS 50 H LYS 50 1.962 1.794 -8.861 399 HA LYS 50 HA LYS 50 2.468 3.140 -11.344 400 1HB LYS 50 2HB LYS 50 1.393 0.840 -10.942 401 2HB LYS 50 1HB LYS 50 -0.074 1.722 -10.539 402 1HG LYS 50 2HG LYS 50 -0.379 2.477 -12.714 403 2HG LYS 50 1HG LYS 50 1.340 2.372 -13.101 404 1HD LYS 50 2HD LYS 50 0.006 0.576 -14.216 405 2HD LYS 50 1HD LYS 50 1.239 -0.063 -13.132 406 1HE LYS 50 2HE LYS 50 -1.058 -1.163 -12.957 407 2HE LYS 50 1HE LYS 50 -0.379 -0.583 -11.434 408 1HZ LYS 50 1HZ LYS 50 -2.795 0.003 -11.991 409 2HZ LYS 50 2HZ LYS 50 -2.142 1.134 -13.078 410 3HZ LYS 50 3HZ LYS 50 -1.793 1.247 -11.420 411 H LEU 51 H LEU 51 0.424 3.563 -8.563 412 HA LEU 51 HA LEU 51 -1.344 5.572 -9.528 413 1HB LEU 51 2HB LEU 51 -0.595 4.357 -6.955 414 2HB LEU 51 1HB LEU 51 -1.143 6.001 -6.849 415 HG LEU 51 HG LEU 51 -2.937 4.327 -6.532 416 1HD1 LEU 51 1HD1 LEU 51 -3.364 6.639 -7.288 417 2HD1 LEU 51 2HD1 LEU 51 -4.556 5.491 -7.917 418 3HD1 LEU 51 3HD1 LEU 51 -3.272 6.085 -8.968 419 1HD2 LEU 51 1HD2 LEU 51 -1.959 3.441 -9.207 420 2HD2 LEU 51 2HD2 LEU 51 -3.706 3.430 -8.967 421 3HD2 LEU 51 3HD2 LEU 51 -2.662 2.488 -7.894 422 H ASN 52 H ASN 52 1.686 5.508 -7.760 423 HA ASN 52 HA ASN 52 1.970 8.258 -7.267 424 1HB ASN 52 2HB ASN 52 3.543 7.178 -6.039 425 2HB ASN 52 1HB ASN 52 3.559 5.810 -7.130 426 1HD2 ASN 52 1HD2 ASN 52 5.971 5.897 -6.574 427 2HD2 ASN 52 2HD2 ASN 52 6.964 6.913 -7.502 428 H ASP 53 H ASP 53 3.126 6.168 -9.825 429 HA ASP 53 HA ASP 53 4.352 8.178 -11.343 430 1HB ASP 53 2HB ASP 53 3.306 5.456 -12.134 431 2HB ASP 53 1HB ASP 53 4.363 6.451 -13.132 432 H ALA 54 H ALA 54 1.145 6.776 -11.252 433 HA ALA 54 HA ALA 54 0.164 7.927 -13.696 434 1HB ALA 54 1HB ALA 54 -1.235 6.840 -11.270 435 2HB ALA 54 2HB ALA 54 -0.831 5.942 -12.739 436 3HB ALA 54 3HB ALA 54 -2.034 7.230 -12.792 437 H GLN 55 H GLN 55 -0.153 8.844 -10.284 438 HA GLN 55 HA GLN 55 -1.939 11.033 -10.892 439 1HB GLN 55 2HB GLN 55 -0.558 10.111 -8.374 440 2HB GLN 55 1HB GLN 55 -1.609 11.523 -8.439 441 1HG GLN 55 2HG GLN 55 -3.461 10.106 -9.259 442 2HG GLN 55 1HG GLN 55 -2.410 8.692 -9.172 443 1HE2 GLN 55 1HE2 GLN 55 -1.394 10.529 -6.617 444 2HE2 GLN 55 2HE2 GLN 55 -2.403 9.880 -5.410 445 H ALA 56 H ALA 56 1.333 10.655 -9.649 446 HA ALA 56 HA ALA 56 3.005 12.250 -9.279 447 1HB ALA 56 1HB ALA 56 2.105 13.029 -12.069 448 2HB ALA 56 2HB ALA 56 3.225 11.722 -11.684 449 3HB ALA 56 3HB ALA 56 3.673 13.394 -11.347 450 HA PRO 57 HA PRO 57 -0.590 15.122 -7.978 451 1HB PRO 57 2HB PRO 57 1.075 15.697 -5.682 452 2HB PRO 57 1HB PRO 57 -0.474 14.839 -5.747 453 1HG PRO 57 2HG PRO 57 2.262 13.775 -5.715 454 2HG PRO 57 1HG PRO 57 0.743 13.016 -5.210 455 1HD PRO 57 2HD PRO 57 1.998 12.241 -7.454 456 2HD PRO 57 1HD PRO 57 0.228 12.297 -7.382 457 H LYS 58 H LYS 58 -0.323 16.704 -9.473 458 HA LYS 58 HA LYS 58 2.033 18.388 -9.603 459 1HB LYS 58 2HB LYS 58 -0.611 18.328 -11.059 460 2HB LYS 58 1HB LYS 58 0.527 19.658 -11.274 461 1HG LYS 58 2HG LYS 58 2.132 18.311 -12.287 462 2HG LYS 58 1HG LYS 58 1.539 16.842 -11.522 463 1HD LYS 58 2HD LYS 58 -0.206 18.312 -13.486 464 2HD LYS 58 1HD LYS 58 1.065 17.241 -14.075 465 1HE LYS 58 2HE LYS 58 -1.087 16.410 -12.099 466 2HE LYS 58 1HE LYS 58 -1.151 16.092 -13.831 467 1HZ LYS 58 1HZ LYS 58 0.671 14.978 -11.804 468 2HZ LYS 58 2HZ LYS 58 1.170 15.065 -13.427 469 3HZ LYS 58 3HZ LYS 58 -0.214 14.174 -13.007 Start of MODEL 14 1 1H VAL 1 1HT VAL 1 3.487 -7.535 18.160 2 2H VAL 1 2HT VAL 1 4.868 -8.372 18.687 3 3H VAL 1 3HT VAL 1 3.417 -8.487 19.562 4 HA VAL 1 HA VAL 1 4.219 -10.325 17.831 5 HB VAL 1 HB VAL 1 2.292 -10.443 19.402 6 1HG1 VAL 1 1HG1 VAL 1 0.140 -9.537 18.843 7 2HG1 VAL 1 2HG1 VAL 1 0.680 -9.072 17.231 8 3HG1 VAL 1 3HG1 VAL 1 1.300 -8.224 18.647 9 1HG2 VAL 1 1HG2 VAL 1 2.640 -12.090 17.477 10 2HG2 VAL 1 2HG2 VAL 1 1.388 -11.202 16.609 11 3HG2 VAL 1 3HG2 VAL 1 1.004 -12.010 18.128 12 H ASP 2 H ASP 2 3.705 -10.985 15.698 13 HA ASP 2 HA ASP 2 2.702 -8.913 13.855 14 1HB ASP 2 2HB ASP 2 5.202 -8.849 13.882 15 2HB ASP 2 1HB ASP 2 5.219 -10.537 13.381 16 H ASN 3 H ASN 3 1.610 -9.691 12.101 17 HA ASN 3 HA ASN 3 1.162 -12.621 11.966 18 1HB ASN 3 2HB ASN 3 -0.809 -10.439 11.235 19 2HB ASN 3 1HB ASN 3 -1.122 -12.172 11.316 20 1HD2 ASN 3 1HD2 ASN 3 0.096 -12.843 13.775 21 2HD2 ASN 3 2HD2 ASN 3 -0.696 -12.023 15.032 22 H LYS 4 H LYS 4 0.158 -13.177 9.694 23 HA LYS 4 HA LYS 4 2.095 -12.680 7.718 24 1HB LYS 4 2HB LYS 4 -0.772 -13.384 7.206 25 2HB LYS 4 1HB LYS 4 0.587 -13.675 6.135 26 1HG LYS 4 2HG LYS 4 1.598 -15.171 7.874 27 2HG LYS 4 1HG LYS 4 0.132 -14.979 8.838 28 1HD LYS 4 2HD LYS 4 -1.200 -15.871 6.916 29 2HD LYS 4 1HD LYS 4 0.306 -16.164 6.047 30 1HE LYS 4 2HE LYS 4 -0.308 -17.341 8.774 31 2HE LYS 4 1HE LYS 4 -0.600 -18.188 7.255 32 1HZ LYS 4 1HZ LYS 4 1.527 -18.829 8.088 33 2HZ LYS 4 2HZ LYS 4 2.009 -17.210 8.279 34 3HZ LYS 4 3HZ LYS 4 1.777 -17.852 6.724 35 H PHE 5 H PHE 5 -1.021 -11.261 8.374 36 HA PHE 5 HA PHE 5 -1.235 -9.523 6.183 37 1HB PHE 5 2HB PHE 5 -2.235 -9.489 9.018 38 2HB PHE 5 1HB PHE 5 -2.445 -8.086 7.989 39 HD1 PHE 5 1HD PHE 5 -2.577 -11.734 7.104 40 HD2 PHE 5 2HD PHE 5 -4.706 -8.003 7.523 41 HE1 PHE 5 1HE PHE 5 -4.633 -12.754 6.105 42 HE2 PHE 5 2HE PHE 5 -6.721 -9.018 6.526 43 HZ PHE 5 HZ PHE 5 -6.688 -11.371 5.812 44 H ASN 6 H ASN 6 -0.131 -8.871 9.505 45 HA ASN 6 HA ASN 6 0.661 -6.243 9.130 46 1HB ASN 6 2HB ASN 6 1.964 -8.297 10.907 47 2HB ASN 6 1HB ASN 6 2.091 -6.552 11.074 48 1HD2 ASN 6 1HD2 ASN 6 0.843 -8.672 12.915 49 2HD2 ASN 6 2HD2 ASN 6 -0.729 -8.103 13.198 50 H LYS 7 H LYS 7 2.619 -9.217 8.817 51 HA LYS 7 HA LYS 7 5.003 -7.941 8.105 52 1HB LYS 7 2HB LYS 7 5.026 -10.240 8.734 53 2HB LYS 7 1HB LYS 7 3.936 -10.679 7.430 54 1HG LYS 7 2HG LYS 7 6.284 -11.274 6.897 55 2HG LYS 7 1HG LYS 7 5.655 -10.075 5.772 56 1HD LYS 7 2HD LYS 7 7.944 -9.503 6.524 57 2HD LYS 7 1HD LYS 7 6.783 -8.280 7.025 58 1HE LYS 7 2HE LYS 7 7.160 -10.472 8.966 59 2HE LYS 7 1HE LYS 7 8.589 -9.475 8.694 60 1HZ LYS 7 1HZ LYS 7 6.847 -7.558 8.932 61 2HZ LYS 7 2HZ LYS 7 7.535 -8.280 10.308 62 3HZ LYS 7 3HZ LYS 7 5.978 -8.728 9.799 63 H GLU 8 H GLU 8 2.340 -9.186 6.065 64 HA GLU 8 HA GLU 8 3.608 -8.491 3.599 65 1HB GLU 8 2HB GLU 8 1.326 -9.851 4.363 66 2HB GLU 8 1HB GLU 8 0.654 -8.377 3.691 67 1HG GLU 8 2HG GLU 8 0.846 -9.955 1.893 68 2HG GLU 8 1HG GLU 8 2.121 -8.766 1.660 69 H ARG 9 H ARG 9 1.521 -6.851 5.851 70 HA ARG 9 HA ARG 9 1.047 -4.545 4.288 71 1HB ARG 9 2HB ARG 9 0.532 -5.227 7.170 72 2HB ARG 9 1HB ARG 9 0.144 -3.648 6.489 73 1HG ARG 9 2HG ARG 9 -1.246 -4.719 4.780 74 2HG ARG 9 1HG ARG 9 -0.884 -6.302 5.425 75 1HD ARG 9 2HD ARG 9 -2.380 -4.064 6.813 76 2HD ARG 9 1HD ARG 9 -3.048 -5.597 6.251 77 HE ARG 9 HE ARG 9 -1.107 -6.395 7.974 78 1HH1 ARG 9 1HH2 ARG 9 -1.300 -3.829 9.442 79 2HH1 ARG 9 2HH2 ARG 9 -2.555 -4.134 10.595 80 1HH2 ARG 9 1HH1 ARG 9 -3.767 -6.918 8.931 81 2HH2 ARG 9 2HH1 ARG 9 -3.952 -5.883 10.306 82 H VAL 10 H VAL 10 3.432 -5.348 6.755 83 HA VAL 10 HA VAL 10 4.271 -2.715 7.353 84 HB VAL 10 HB VAL 10 6.099 -5.137 7.292 85 1HG1 VAL 10 1HG1 VAL 10 7.545 -3.889 8.697 86 2HG1 VAL 10 2HG1 VAL 10 6.294 -2.712 9.089 87 3HG1 VAL 10 3HG1 VAL 10 7.020 -2.721 7.480 88 1HG2 VAL 10 1HG2 VAL 10 3.889 -4.548 9.103 89 2HG2 VAL 10 2HG2 VAL 10 5.428 -4.648 9.955 90 3HG2 VAL 10 3HG2 VAL 10 4.885 -6.005 8.965 91 H ILE 11 H ILE 11 5.400 -5.169 5.228 92 HA ILE 11 HA ILE 11 7.484 -3.823 3.986 93 HB ILE 11 HB ILE 11 5.647 -6.037 3.052 94 1HG1 ILE 11 2HG1 ILE 11 8.420 -6.229 4.274 95 2HG1 ILE 11 1HG1 ILE 11 6.942 -6.351 5.235 96 1HG2 ILE 11 1HG2 ILE 11 6.926 -4.912 1.213 97 2HG2 ILE 11 2HG2 ILE 11 7.342 -6.621 1.456 98 3HG2 ILE 11 3HG2 ILE 11 8.418 -5.351 2.053 99 1HD1 ILE 11 1HD1 ILE 11 7.913 -8.573 4.488 100 2HD1 ILE 11 2HD1 ILE 11 7.514 -8.107 2.826 101 3HD1 ILE 11 3HD1 ILE 11 6.228 -8.312 4.022 102 H ALA 12 H ALA 12 4.131 -4.325 3.048 103 HA ALA 12 HA ALA 12 4.239 -2.787 0.660 104 1HB ALA 12 1HB ALA 12 2.632 -4.395 0.665 105 2HB ALA 12 2HB ALA 12 1.683 -2.958 1.047 106 3HB ALA 12 3HB ALA 12 2.159 -4.077 2.349 107 H ILE 13 H ILE 13 2.818 -2.088 3.890 108 HA ILE 13 HA ILE 13 1.793 0.435 3.216 109 HB ILE 13 HB ILE 13 1.308 -0.891 5.347 110 1HG1 ILE 13 2HG1 ILE 13 1.775 2.003 5.035 111 2HG1 ILE 13 1HG1 ILE 13 0.331 1.154 5.558 112 1HG2 ILE 13 1HG2 ILE 13 3.769 0.462 6.478 113 2HG2 ILE 13 2HG2 ILE 13 3.873 -1.144 5.790 114 3HG2 ILE 13 3HG2 ILE 13 2.821 -0.857 7.165 115 1HD1 ILE 13 1HD1 ILE 13 1.111 2.431 7.433 116 2HD1 ILE 13 2HD1 ILE 13 2.766 1.855 7.199 117 3HD1 ILE 13 3HD1 ILE 13 1.513 0.742 7.759 118 H GLY 14 H GLY 14 4.889 -0.718 4.284 119 1HA GLY 14 2HA GLY 14 6.125 1.739 4.766 120 2HA GLY 14 1HA GLY 14 6.952 0.204 4.441 121 H GLU 15 H GLU 15 5.773 -0.375 1.864 122 HA GLU 15 HA GLU 15 7.445 1.190 0.192 123 1HB GLU 15 2HB GLU 15 5.109 -0.642 -0.405 124 2HB GLU 15 1HB GLU 15 6.235 0.004 -1.607 125 1HG GLU 15 2HG GLU 15 7.656 -1.262 0.602 126 2HG GLU 15 1HG GLU 15 6.510 -2.378 -0.152 127 H ILE 16 H ILE 16 3.998 1.007 0.796 128 HA ILE 16 HA ILE 16 3.218 2.931 -1.088 129 HB ILE 16 HB ILE 16 1.844 1.585 1.205 130 1HG1 ILE 16 2HG1 ILE 16 1.692 1.376 -1.802 131 2HG1 ILE 16 1HG1 ILE 16 2.644 0.332 -0.778 132 1HG2 ILE 16 1HG2 ILE 16 0.158 2.886 -0.874 133 2HG2 ILE 16 2HG2 ILE 16 0.905 3.993 0.279 134 3HG2 ILE 16 3HG2 ILE 16 -0.121 2.684 0.864 135 1HD1 ILE 16 1HD1 ILE 16 0.856 -1.007 -0.692 136 2HD1 ILE 16 2HD1 ILE 16 -0.181 0.233 -1.419 137 3HD1 ILE 16 3HD1 ILE 16 0.100 0.220 0.333 138 H MET 17 H MET 17 3.785 3.169 2.369 139 HA MET 17 HA MET 17 2.878 5.837 2.667 140 1HB MET 17 2HB MET 17 4.720 4.065 4.287 141 2HB MET 17 1HB MET 17 4.348 5.728 4.773 142 1HG MET 17 2HG MET 17 2.238 3.637 4.179 143 2HG MET 17 1HG MET 17 2.824 3.983 5.801 144 1HE MET 17 1HE MET 17 -0.064 4.294 3.798 145 2HE MET 17 2HE MET 17 -0.901 5.384 4.905 146 3HE MET 17 3HE MET 17 -0.024 3.992 5.539 147 H ARG 18 H ARG 18 5.790 4.444 1.412 148 HA ARG 18 HA ARG 18 7.513 6.709 1.679 149 1HB ARG 18 2HB ARG 18 8.333 4.408 1.412 150 2HB ARG 18 1HB ARG 18 7.586 4.317 -0.176 151 1HG ARG 18 2HG ARG 18 9.029 6.287 -0.861 152 2HG ARG 18 1HG ARG 18 9.888 6.090 0.670 153 1HD ARG 18 2HD ARG 18 9.545 3.939 -1.432 154 2HD ARG 18 1HD ARG 18 11.008 4.892 -1.200 155 HE ARG 18 HE ARG 18 11.266 3.807 0.975 156 1HH1 ARG 18 1HH1 ARG 18 10.648 1.792 -1.460 157 2HH1 ARG 18 2HH1 ARG 18 9.821 0.558 -0.568 158 1HH2 ARG 18 1HH2 ARG 18 9.429 2.505 2.268 159 2HH2 ARG 18 2HH2 ARG 18 9.134 0.963 1.539 160 H LEU 19 H LEU 19 5.236 5.541 -0.721 161 HA LEU 19 HA LEU 19 5.901 6.877 -2.998 162 1HB LEU 19 2HB LEU 19 3.087 6.534 -1.987 163 2HB LEU 19 1HB LEU 19 3.610 6.664 -3.667 164 HG LEU 19 HG LEU 19 4.400 4.461 -1.744 165 1HD1 LEU 19 1HD1 LEU 19 2.660 4.297 -4.200 166 2HD1 LEU 19 2HD1 LEU 19 2.036 4.371 -2.554 167 3HD1 LEU 19 3HD1 LEU 19 3.026 3.005 -3.061 168 1HD2 LEU 19 1HD2 LEU 19 5.232 5.161 -4.537 169 2HD2 LEU 19 2HD2 LEU 19 5.202 3.470 -4.029 170 3HD2 LEU 19 3HD2 LEU 19 6.222 4.628 -3.171 171 HA PRO 20 HA PRO 20 5.366 11.153 -1.575 172 1HB PRO 20 2HB PRO 20 6.931 12.004 -3.842 173 2HB PRO 20 1HB PRO 20 7.423 11.931 -2.143 174 1HG PRO 20 2HG PRO 20 8.415 10.341 -4.176 175 2HG PRO 20 1HG PRO 20 8.540 10.000 -2.442 176 1HD PRO 20 2HD PRO 20 6.683 8.839 -4.470 177 2HD PRO 20 1HD PRO 20 7.395 8.099 -3.017 178 H ASN 21 H ASN 21 4.559 9.630 -4.569 179 HA ASN 21 HA ASN 21 3.236 12.027 -5.628 180 1HB ASN 21 2HB ASN 21 4.021 9.389 -6.775 181 2HB ASN 21 1HB ASN 21 2.855 10.394 -7.613 182 1HD2 ASN 21 1HD2 ASN 21 5.944 9.698 -7.956 183 2HD2 ASN 21 2HD2 ASN 21 6.607 11.218 -8.311 184 H LEU 22 H LEU 22 2.198 10.551 -3.309 185 HA LEU 22 HA LEU 22 -0.543 10.135 -4.297 186 1HB LEU 22 2HB LEU 22 0.952 8.391 -2.327 187 2HB LEU 22 1HB LEU 22 -0.795 8.317 -2.582 188 HG LEU 22 HG LEU 22 1.098 8.051 -4.911 189 1HD1 LEU 22 1HD1 LEU 22 0.099 5.519 -3.904 190 2HD1 LEU 22 2HD1 LEU 22 1.118 6.319 -2.708 191 3HD1 LEU 22 3HD1 LEU 22 1.741 5.997 -4.326 192 1HD2 LEU 22 1HD2 LEU 22 -1.255 6.399 -4.889 193 2HD2 LEU 22 2HD2 LEU 22 -0.821 7.703 -6.017 194 3HD2 LEU 22 3HD2 LEU 22 -1.711 8.069 -4.524 195 H ASN 23 H ASN 23 -2.153 10.823 -2.875 196 HA ASN 23 HA ASN 23 -1.198 12.608 -0.745 197 1HB ASN 23 2HB ASN 23 -3.804 12.896 -0.476 198 2HB ASN 23 1HB ASN 23 -2.965 13.691 -1.802 199 1HD2 ASN 23 1HD2 ASN 23 -3.618 13.168 -3.912 200 2HD2 ASN 23 2HD2 ASN 23 -4.724 11.934 -4.281 201 H SER 24 H SER 24 -2.176 12.334 1.438 202 HA SER 24 HA SER 24 -1.561 9.867 2.472 203 1HB SER 24 2HB SER 24 -2.862 10.480 4.453 204 2HB SER 24 1HB SER 24 -1.820 11.789 3.894 205 HG SER 24 HG SER 24 -4.605 11.470 3.406 206 H LEU 25 H LEU 25 -4.668 10.934 1.197 207 HA LEU 25 HA LEU 25 -6.234 8.791 2.144 208 1HB LEU 25 2HB LEU 25 -6.542 10.261 -0.471 209 2HB LEU 25 1HB LEU 25 -7.786 9.389 0.412 210 HG LEU 25 HG LEU 25 -7.209 11.047 2.360 211 1HD1 LEU 25 1HD1 LEU 25 -6.788 13.327 0.908 212 2HD1 LEU 25 2HD1 LEU 25 -5.760 12.191 0.037 213 3HD1 LEU 25 3HD1 LEU 25 -5.511 12.463 1.761 214 1HD2 LEU 25 1HD2 LEU 25 -8.738 12.760 1.069 215 2HD2 LEU 25 2HD2 LEU 25 -9.364 11.157 1.467 216 3HD2 LEU 25 3HD2 LEU 25 -8.764 11.494 -0.160 217 H GLN 26 H GLN 26 -4.520 9.201 -0.960 218 HA GLN 26 HA GLN 26 -5.236 6.690 -1.992 219 1HB GLN 26 2HB GLN 26 -2.964 8.522 -2.505 220 2HB GLN 26 1HB GLN 26 -3.198 7.045 -3.401 221 1HG GLN 26 2HG GLN 26 -5.261 7.761 -4.295 222 2HG GLN 26 1HG GLN 26 -5.454 9.012 -3.060 223 1HE2 GLN 26 1HE2 GLN 26 -5.606 9.380 -5.939 224 2HE2 GLN 26 2HE2 GLN 26 -4.371 10.463 -6.369 225 H VAL 27 H VAL 27 -2.491 7.914 -0.240 226 HA VAL 27 HA VAL 27 -0.880 5.650 -0.108 227 HB VAL 27 HB VAL 27 -1.333 8.068 1.636 228 1HG1 VAL 27 1HG1 VAL 27 -0.462 6.901 3.347 229 2HG1 VAL 27 2HG1 VAL 27 1.060 7.234 2.517 230 3HG1 VAL 27 3HG1 VAL 27 0.261 5.675 2.293 231 1HG2 VAL 27 1HG2 VAL 27 -0.178 8.697 -0.305 232 2HG2 VAL 27 2HG2 VAL 27 0.728 7.185 -0.372 233 3HG2 VAL 27 3HG2 VAL 27 1.131 8.403 0.838 234 H VAL 28 H VAL 28 -3.474 6.855 1.891 235 HA VAL 28 HA VAL 28 -3.425 4.684 3.752 236 HB VAL 28 HB VAL 28 -5.492 6.821 3.363 237 1HG1 VAL 28 1HG1 VAL 28 -5.012 4.783 5.574 238 2HG1 VAL 28 2HG1 VAL 28 -6.399 4.780 4.473 239 3HG1 VAL 28 3HG1 VAL 28 -6.201 6.087 5.647 240 1HG2 VAL 28 1HG2 VAL 28 -3.694 6.673 5.718 241 2HG2 VAL 28 2HG2 VAL 28 -4.172 8.078 4.762 242 3HG2 VAL 28 3HG2 VAL 28 -2.880 7.013 4.188 243 H ALA 29 H ALA 29 -5.138 5.444 0.886 244 HA ALA 29 HA ALA 29 -7.268 3.674 0.915 245 1HB ALA 29 1HB ALA 29 -5.511 4.139 -1.489 246 2HB ALA 29 2HB ALA 29 -6.528 5.432 -0.836 247 3HB ALA 29 3HB ALA 29 -7.266 3.937 -1.419 248 H PHE 30 H PHE 30 -3.885 3.321 0.159 249 HA PHE 30 HA PHE 30 -4.067 0.642 -0.671 250 1HB PHE 30 2HB PHE 30 -1.867 2.505 0.087 251 2HB PHE 30 1HB PHE 30 -1.575 0.794 -0.193 252 HD1 PHE 30 1HD PHE 30 -2.652 -0.245 -2.303 253 HD2 PHE 30 2HD PHE 30 -1.919 3.940 -1.755 254 HE1 PHE 30 1HE PHE 30 -2.794 0.108 -4.722 255 HE2 PHE 30 2HE PHE 30 -2.138 4.315 -4.137 256 HZ PHE 30 HZ PHE 30 -2.568 2.382 -5.682 257 H ILE 31 H ILE 31 -3.351 2.349 2.396 258 HA ILE 31 HA ILE 31 -2.481 0.078 3.829 259 HB ILE 31 HB ILE 31 -4.350 2.216 4.915 260 1HG1 ILE 31 2HG1 ILE 31 -1.331 2.132 5.094 261 2HG1 ILE 31 1HG1 ILE 31 -2.214 3.144 3.956 262 1HG2 ILE 31 1HG2 ILE 31 -4.276 0.343 6.414 263 2HG2 ILE 31 2HG2 ILE 31 -3.194 1.563 7.088 264 3HG2 ILE 31 3HG2 ILE 31 -2.528 0.179 6.224 265 1HD1 ILE 31 1HD1 ILE 31 -1.638 3.705 6.689 266 2HD1 ILE 31 2HD1 ILE 31 -3.379 3.458 6.568 267 3HD1 ILE 31 3HD1 ILE 31 -2.595 4.675 5.575 268 H ASN 32 H ASN 32 -5.608 1.354 2.947 269 HA ASN 32 HA ASN 32 -7.211 -0.521 4.361 270 1HB ASN 32 2HB ASN 32 -7.612 1.525 2.224 271 2HB ASN 32 1HB ASN 32 -8.895 0.347 2.509 272 1HD2 ASN 32 1HD2 ASN 32 -7.573 3.309 3.593 273 2HD2 ASN 32 2HD2 ASN 32 -8.420 3.420 5.060 274 H SER 33 H SER 33 -6.044 -0.436 0.988 275 HA SER 33 HA SER 33 -7.524 -2.654 0.120 276 1HB SER 33 2HB SER 33 -4.823 -1.803 -0.901 277 2HB SER 33 1HB SER 33 -6.089 -2.669 -1.766 278 HG SER 33 HG SER 33 -6.294 -0.044 -0.706 279 H LEU 34 H LEU 34 -4.377 -2.392 1.702 280 HA LEU 34 HA LEU 34 -3.483 -5.043 1.316 281 1HB LEU 34 2HB LEU 34 -2.948 -3.823 3.990 282 2HB LEU 34 1HB LEU 34 -1.885 -4.753 2.943 283 HG LEU 34 HG LEU 34 -2.668 -1.867 2.683 284 1HD1 LEU 34 1HD1 LEU 34 -0.858 -2.168 4.206 285 2HD1 LEU 34 2HD1 LEU 34 -0.164 -1.605 2.682 286 3HD1 LEU 34 3HD1 LEU 34 -0.067 -3.309 3.116 287 1HD2 LEU 34 1HD2 LEU 34 -2.647 -2.566 0.415 288 2HD2 LEU 34 2HD2 LEU 34 -1.329 -3.699 0.708 289 3HD2 LEU 34 3HD2 LEU 34 -1.012 -1.965 0.706 290 H ARG 35 H ARG 35 -5.485 -3.701 3.928 291 HA ARG 35 HA ARG 35 -5.756 -6.212 5.289 292 1HB ARG 35 2HB ARG 35 -6.903 -5.031 6.882 293 2HB ARG 35 1HB ARG 35 -6.103 -3.692 6.076 294 1HG ARG 35 2HG ARG 35 -8.232 -3.574 4.601 295 2HG ARG 35 1HG ARG 35 -8.979 -4.555 5.856 296 1HD ARG 35 2HD ARG 35 -8.157 -2.828 7.532 297 2HD ARG 35 1HD ARG 35 -7.717 -1.814 6.162 298 HE ARG 35 HE ARG 35 -10.211 -1.799 7.252 299 1HH1 ARG 35 1HH2 ARG 35 -9.011 -1.086 4.294 300 2HH1 ARG 35 2HH2 ARG 35 -10.426 -1.472 3.374 301 1HH2 ARG 35 1HH1 ARG 35 -12.035 -3.025 6.015 302 2HH2 ARG 35 2HH1 ARG 35 -12.136 -2.566 4.348 303 H ASP 36 H ASP 36 -7.521 -4.514 2.805 304 HA ASP 36 HA ASP 36 -9.829 -6.191 2.773 305 1HB ASP 36 2HB ASP 36 -8.565 -4.385 0.683 306 2HB ASP 36 1HB ASP 36 -10.096 -5.224 0.445 307 H ASP 37 H ASP 37 -6.574 -6.408 1.707 308 HA ASP 37 HA ASP 37 -6.775 -9.160 1.000 309 1HB ASP 37 2HB ASP 37 -7.810 -7.911 -1.003 310 2HB ASP 37 1HB ASP 37 -6.173 -7.383 -1.353 311 HA PRO 38 HA PRO 38 -2.543 -7.768 2.128 312 1HB PRO 38 2HB PRO 38 -2.091 -10.358 3.303 313 2HB PRO 38 1HB PRO 38 -2.274 -8.794 4.113 314 1HG PRO 38 2HG PRO 38 -4.068 -10.902 4.183 315 2HG PRO 38 1HG PRO 38 -4.380 -9.236 4.679 316 1HD PRO 38 2HD PRO 38 -5.258 -10.659 2.236 317 2HD PRO 38 1HD PRO 38 -5.967 -9.240 3.039 318 H SER 39 H SER 39 -3.569 -10.844 0.693 319 HA SER 39 HA SER 39 -1.030 -11.665 -0.270 320 1HB SER 39 2HB SER 39 -2.194 -13.257 -1.595 321 2HB SER 39 1HB SER 39 -3.174 -13.074 -0.144 322 HG SER 39 HG SER 39 -4.280 -11.372 -1.489 323 H GLN 40 H GLN 40 -3.399 -9.368 -1.270 324 HA GLN 40 HA GLN 40 -2.045 -8.888 -3.813 325 1HB GLN 40 2HB GLN 40 -4.643 -7.834 -2.695 326 2HB GLN 40 1HB GLN 40 -3.959 -7.322 -4.234 327 1HG GLN 40 2HG GLN 40 -4.573 -10.205 -3.530 328 2HG GLN 40 1HG GLN 40 -5.658 -9.166 -4.448 329 1HE2 GLN 40 1HE2 GLN 40 -3.307 -11.497 -4.855 330 2HE2 GLN 40 2HE2 GLN 40 -2.767 -11.071 -6.407 331 H SER 41 H SER 41 -1.435 -8.019 -0.756 332 HA SER 41 HA SER 41 -1.311 -5.189 -0.749 333 1HB SER 41 2HB SER 41 0.312 -5.399 1.027 334 2HB SER 41 1HB SER 41 -0.834 -6.715 1.250 335 HG SER 41 HG SER 41 0.627 -8.128 0.490 336 H ALA 42 H ALA 42 0.712 -7.700 -2.064 337 HA ALA 42 HA ALA 42 2.913 -6.225 -2.897 338 1HB ALA 42 1HB ALA 42 2.841 -8.688 -2.820 339 2HB ALA 42 2HB ALA 42 3.323 -8.102 -4.413 340 3HB ALA 42 3HB ALA 42 1.676 -8.676 -4.144 341 H ASN 43 H ASN 43 -0.190 -6.967 -4.395 342 HA ASN 43 HA ASN 43 0.321 -5.776 -6.941 343 1HB ASN 43 2HB ASN 43 -1.410 -7.527 -6.262 344 2HB ASN 43 1HB ASN 43 -2.316 -6.176 -5.586 345 1HD2 ASN 43 1HD2 ASN 43 -3.973 -6.809 -7.262 346 2HD2 ASN 43 2HD2 ASN 43 -3.797 -6.216 -8.844 347 H LEU 44 H LEU 44 -1.127 -4.894 -3.931 348 HA LEU 44 HA LEU 44 -2.261 -2.418 -4.722 349 1HB LEU 44 2HB LEU 44 -1.615 -3.688 -2.093 350 2HB LEU 44 1HB LEU 44 -2.469 -2.159 -2.219 351 HG LEU 44 HG LEU 44 -3.334 -4.585 -3.755 352 1HD1 LEU 44 1HD1 LEU 44 -5.185 -4.583 -1.884 353 2HD1 LEU 44 2HD1 LEU 44 -3.901 -3.862 -0.914 354 3HD1 LEU 44 3HD1 LEU 44 -3.672 -5.449 -1.642 355 1HD2 LEU 44 1HD2 LEU 44 -4.144 -2.566 -4.631 356 2HD2 LEU 44 2HD2 LEU 44 -4.499 -1.926 -3.012 357 3HD2 LEU 44 3HD2 LEU 44 -5.476 -3.240 -3.683 358 H LEU 45 H LEU 45 0.575 -3.290 -2.917 359 HA LEU 45 HA LEU 45 1.472 -0.604 -2.693 360 1HB LEU 45 2HB LEU 45 2.778 -1.546 -1.113 361 2HB LEU 45 1HB LEU 45 2.128 -3.090 -1.541 362 HG LEU 45 HG LEU 45 4.572 -3.042 -1.472 363 1HD1 LEU 45 1HD1 LEU 45 2.945 -4.310 -3.197 364 2HD1 LEU 45 2HD1 LEU 45 4.684 -4.585 -3.100 365 3HD1 LEU 45 3HD1 LEU 45 4.034 -3.505 -4.332 366 1HD2 LEU 45 1HD2 LEU 45 5.822 -1.568 -2.616 367 2HD2 LEU 45 2HD2 LEU 45 4.351 -0.588 -2.560 368 3HD2 LEU 45 3HD2 LEU 45 4.750 -1.537 -4.008 369 H ALA 46 H ALA 46 1.670 -3.165 -4.961 370 HA ALA 46 HA ALA 46 3.653 -2.028 -6.727 371 1HB ALA 46 1HB ALA 46 2.341 -3.460 -8.449 372 2HB ALA 46 2HB ALA 46 1.434 -4.036 -7.057 373 3HB ALA 46 3HB ALA 46 3.176 -4.311 -7.146 374 H GLU 47 H GLU 47 0.126 -2.019 -6.511 375 HA GLU 47 HA GLU 47 -0.528 -0.487 -8.768 376 1HB GLU 47 2HB GLU 47 -1.728 -1.283 -6.182 377 2HB GLU 47 1HB GLU 47 -2.456 0.114 -6.966 378 1HG GLU 47 2HG GLU 47 -3.065 -1.140 -8.869 379 2HG GLU 47 1HG GLU 47 -1.962 -2.453 -8.469 380 H ALA 48 H ALA 48 0.179 0.236 -5.463 381 HA ALA 48 HA ALA 48 -0.269 2.967 -5.400 382 1HB ALA 48 1HB ALA 48 0.264 1.253 -3.537 383 2HB ALA 48 2HB ALA 48 0.810 2.918 -3.358 384 3HB ALA 48 3HB ALA 48 1.936 1.667 -3.886 385 H LYS 49 H LYS 49 2.656 1.124 -6.166 386 HA LYS 49 HA LYS 49 4.318 3.389 -6.644 387 1HB LYS 49 2HB LYS 49 4.464 0.523 -7.617 388 2HB LYS 49 1HB LYS 49 5.685 1.734 -8.008 389 1HG LYS 49 2HG LYS 49 6.070 2.119 -5.594 390 2HG LYS 49 1HG LYS 49 4.870 0.886 -5.209 391 1HD LYS 49 2HD LYS 49 6.228 -0.798 -6.426 392 2HD LYS 49 1HD LYS 49 7.440 0.439 -6.762 393 1HE LYS 49 2HE LYS 49 8.222 0.458 -4.603 394 2HE LYS 49 1HE LYS 49 6.636 0.118 -3.914 395 1HZ LYS 49 1HZ LYS 49 6.832 -2.144 -4.400 396 2HZ LYS 49 2HZ LYS 49 8.361 -1.713 -3.797 397 3HZ LYS 49 3HZ LYS 49 8.127 -1.907 -5.469 398 H LYS 50 H LYS 50 2.050 1.493 -8.539 399 HA LYS 50 HA LYS 50 2.624 2.733 -11.062 400 1HB LYS 50 2HB LYS 50 0.386 1.007 -9.999 401 2HB LYS 50 1HB LYS 50 0.284 1.741 -11.597 402 1HG LYS 50 2HG LYS 50 1.911 0.385 -12.473 403 2HG LYS 50 1HG LYS 50 2.851 0.377 -10.984 404 1HD LYS 50 2HD LYS 50 1.970 -1.866 -11.420 405 2HD LYS 50 1HD LYS 50 1.219 -1.204 -9.977 406 1HE LYS 50 2HE LYS 50 -0.451 -2.300 -11.403 407 2HE LYS 50 1HE LYS 50 -0.772 -0.570 -11.293 408 1HZ LYS 50 1HZ LYS 50 -0.834 -1.643 -13.588 409 2HZ LYS 50 2HZ LYS 50 0.861 -1.699 -13.484 410 3HZ LYS 50 3HZ LYS 50 0.052 -0.206 -13.425 411 H LEU 51 H LEU 51 0.543 3.358 -8.334 412 HA LEU 51 HA LEU 51 -1.129 5.367 -9.478 413 1HB LEU 51 2HB LEU 51 -0.505 4.306 -6.791 414 2HB LEU 51 1HB LEU 51 -1.062 5.953 -6.846 415 HG LEU 51 HG LEU 51 -2.859 4.263 -6.509 416 1HD1 LEU 51 1HD1 LEU 51 -4.121 5.268 -8.716 417 2HD1 LEU 51 2HD1 LEU 51 -2.782 6.402 -8.517 418 3HD1 LEU 51 3HD1 LEU 51 -3.913 6.131 -7.186 419 1HD2 LEU 51 1HD2 LEU 51 -2.394 2.393 -7.793 420 2HD2 LEU 51 2HD2 LEU 51 -1.826 3.336 -9.168 421 3HD2 LEU 51 3HD2 LEU 51 -3.555 3.207 -8.845 422 H ASN 52 H ASN 52 1.791 5.334 -7.521 423 HA ASN 52 HA ASN 52 2.127 8.094 -7.190 424 1HB ASN 52 2HB ASN 52 3.535 6.948 -5.799 425 2HB ASN 52 1HB ASN 52 3.717 5.617 -6.925 426 1HD2 ASN 52 1HD2 ASN 52 6.066 5.965 -5.945 427 2HD2 ASN 52 2HD2 ASN 52 7.087 6.989 -6.832 428 H ASP 53 H ASP 53 3.386 5.824 -9.537 429 HA ASP 53 HA ASP 53 4.768 7.709 -11.072 430 1HB ASP 53 2HB ASP 53 3.721 4.960 -11.752 431 2HB ASP 53 1HB ASP 53 4.838 5.872 -12.764 432 H ALA 54 H ALA 54 1.524 6.381 -11.166 433 HA ALA 54 HA ALA 54 0.788 7.403 -13.747 434 1HB ALA 54 1HB ALA 54 -0.806 6.449 -11.392 435 2HB ALA 54 2HB ALA 54 -0.357 5.515 -12.826 436 3HB ALA 54 3HB ALA 54 -1.513 6.841 -12.959 437 H GLN 55 H GLN 55 0.175 8.546 -10.432 438 HA GLN 55 HA GLN 55 -1.525 10.696 -11.347 439 1HB GLN 55 2HB GLN 55 -0.303 10.031 -8.671 440 2HB GLN 55 1HB GLN 55 -1.447 11.344 -8.943 441 1HG GLN 55 2HG GLN 55 -3.160 9.792 -9.646 442 2HG GLN 55 1HG GLN 55 -2.021 8.446 -9.609 443 1HE2 GLN 55 1HE2 GLN 55 -1.283 10.524 -7.044 444 2HE2 GLN 55 2HE2 GLN 55 -2.131 9.685 -5.832 445 H ALA 56 H ALA 56 1.624 10.410 -9.815 446 HA ALA 56 HA ALA 56 3.272 12.017 -9.417 447 1HB ALA 56 1HB ALA 56 2.639 12.675 -12.305 448 2HB ALA 56 2HB ALA 56 3.632 11.315 -11.781 449 3HB ALA 56 3HB ALA 56 4.165 12.967 -11.467 450 HA PRO 57 HA PRO 57 -0.398 15.001 -8.658 451 1HB PRO 57 2HB PRO 57 0.988 15.643 -6.201 452 2HB PRO 57 1HB PRO 57 -0.561 14.809 -6.416 453 1HG PRO 57 2HG PRO 57 2.125 13.705 -5.999 454 2HG PRO 57 1HG PRO 57 0.538 12.992 -5.661 455 1HD PRO 57 2HD PRO 57 2.060 12.107 -7.697 456 2HD PRO 57 1HD PRO 57 0.296 12.174 -7.840 457 H LYS 58 H LYS 58 0.030 16.571 -10.095 458 HA LYS 58 HA LYS 58 0.935 18.421 -11.107 459 1HB LYS 58 2HB LYS 58 1.456 19.105 -8.196 460 2HB LYS 58 1HB LYS 58 1.510 20.259 -9.532 461 1HG LYS 58 2HG LYS 58 -0.848 19.709 -10.084 462 2HG LYS 58 1HG LYS 58 -0.897 18.605 -8.709 463 1HD LYS 58 2HD LYS 58 -0.336 20.528 -7.205 464 2HD LYS 58 1HD LYS 58 -0.448 21.604 -8.599 465 1HE LYS 58 2HE LYS 58 -2.750 19.765 -8.124 466 2HE LYS 58 1HE LYS 58 -2.557 21.114 -7.002 467 1HZ LYS 58 1HZ LYS 58 -2.739 22.662 -8.712 468 2HZ LYS 58 2HZ LYS 58 -3.922 21.505 -9.098 469 3HZ LYS 58 3HZ LYS 58 -2.438 21.517 -9.927 Start of MODEL 15 1 1H VAL 1 1HT VAL 1 -0.154 -10.933 15.666 2 2H VAL 1 2HT VAL 1 -1.387 -12.050 16.006 3 3H VAL 1 3HT VAL 1 -1.079 -11.584 14.402 4 HA VAL 1 HA VAL 1 1.236 -12.531 14.735 5 HB VAL 1 HB VAL 1 -0.241 -13.930 16.996 6 1HG1 VAL 1 1HG1 VAL 1 2.604 -14.131 15.950 7 2HG1 VAL 1 2HG1 VAL 1 1.373 -15.392 15.906 8 3HG1 VAL 1 3HG1 VAL 1 2.044 -14.870 17.449 9 1HG2 VAL 1 1HG2 VAL 1 1.511 -12.781 18.426 10 2HG2 VAL 1 2HG2 VAL 1 0.311 -11.692 17.732 11 3HG2 VAL 1 3HG2 VAL 1 1.922 -11.797 17.021 12 H ASP 2 H ASP 2 -1.937 -14.018 15.420 13 HA ASP 2 HA ASP 2 -1.652 -16.360 13.926 14 1HB ASP 2 2HB ASP 2 -3.513 -15.902 15.503 15 2HB ASP 2 1HB ASP 2 -4.179 -14.742 14.356 16 H ASN 3 H ASN 3 -2.628 -13.119 12.941 17 HA ASN 3 HA ASN 3 -3.015 -13.976 10.161 18 1HB ASN 3 2HB ASN 3 -3.428 -11.297 11.516 19 2HB ASN 3 1HB ASN 3 -3.780 -11.639 9.824 20 1HD2 ASN 3 1HD2 ASN 3 -5.343 -13.612 9.512 21 2HD2 ASN 3 2HD2 ASN 3 -6.617 -13.741 10.626 22 H LYS 4 H LYS 4 -1.531 -13.690 8.632 23 HA LYS 4 HA LYS 4 1.034 -12.530 9.305 24 1HB LYS 4 2HB LYS 4 0.146 -13.671 6.653 25 2HB LYS 4 1HB LYS 4 1.800 -13.405 7.194 26 1HG LYS 4 2HG LYS 4 0.575 -15.002 9.199 27 2HG LYS 4 1HG LYS 4 0.095 -15.700 7.655 28 1HD LYS 4 2HD LYS 4 2.141 -16.775 8.131 29 2HD LYS 4 1HD LYS 4 2.602 -15.495 7.009 30 1HE LYS 4 2HE LYS 4 4.183 -15.387 8.802 31 2HE LYS 4 1HE LYS 4 3.069 -14.046 9.068 32 1HZ LYS 4 1HZ LYS 4 1.942 -15.237 10.732 33 2HZ LYS 4 2HZ LYS 4 3.593 -15.470 11.058 34 3HZ LYS 4 3HZ LYS 4 2.688 -16.704 10.319 35 H PHE 5 H PHE 5 -1.725 -11.163 8.573 36 HA PHE 5 HA PHE 5 -1.511 -9.542 6.350 37 1HB PHE 5 2HB PHE 5 -2.693 -9.102 9.081 38 2HB PHE 5 1HB PHE 5 -2.734 -7.851 7.852 39 HD1 PHE 5 1HD PHE 5 -3.140 -11.578 7.502 40 HD2 PHE 5 2HD PHE 5 -4.957 -7.683 7.216 41 HE1 PHE 5 1HE PHE 5 -5.199 -12.588 6.553 42 HE2 PHE 5 2HE PHE 5 -7.000 -8.699 6.269 43 HZ PHE 5 HZ PHE 5 -7.126 -11.139 5.935 44 H ASN 6 H ASN 6 -0.624 -8.683 9.688 45 HA ASN 6 HA ASN 6 0.349 -6.150 9.226 46 1HB ASN 6 2HB ASN 6 1.297 -8.139 11.275 47 2HB ASN 6 1HB ASN 6 1.588 -6.403 11.322 48 1HD2 ASN 6 1HD2 ASN 6 -0.181 -8.396 13.008 49 2HD2 ASN 6 2HD2 ASN 6 -1.664 -7.575 13.114 50 H LYS 7 H LYS 7 2.247 -9.182 9.230 51 HA LYS 7 HA LYS 7 4.734 -7.979 8.823 52 1HB LYS 7 2HB LYS 7 4.481 -10.296 9.514 53 2HB LYS 7 1HB LYS 7 3.784 -10.708 7.951 54 1HG LYS 7 2HG LYS 7 6.100 -11.346 7.858 55 2HG LYS 7 1HG LYS 7 5.951 -9.884 6.891 56 1HD LYS 7 2HD LYS 7 6.530 -9.410 9.762 57 2HD LYS 7 1HD LYS 7 7.809 -10.239 8.879 58 1HE LYS 7 2HE LYS 7 7.552 -8.401 7.096 59 2HE LYS 7 1HE LYS 7 6.605 -7.529 8.300 60 1HZ LYS 7 1HZ LYS 7 8.892 -6.859 8.428 61 2HZ LYS 7 2HZ LYS 7 9.403 -8.471 8.605 62 3HZ LYS 7 3HZ LYS 7 8.492 -7.725 9.830 63 H GLU 8 H GLU 8 2.269 -9.072 6.527 64 HA GLU 8 HA GLU 8 3.840 -8.442 4.191 65 1HB GLU 8 2HB GLU 8 1.979 -10.106 4.236 66 2HB GLU 8 1HB GLU 8 0.842 -8.791 4.514 67 1HG GLU 8 2HG GLU 8 0.862 -9.314 2.145 68 2HG GLU 8 1HG GLU 8 1.579 -7.730 2.395 69 H ARG 9 H ARG 9 1.464 -6.863 6.184 70 HA ARG 9 HA ARG 9 1.033 -4.584 4.598 71 1HB ARG 9 2HB ARG 9 0.473 -5.249 7.467 72 2HB ARG 9 1HB ARG 9 0.151 -3.644 6.819 73 1HG ARG 9 2HG ARG 9 -1.378 -4.487 5.210 74 2HG ARG 9 1HG ARG 9 -0.876 -6.150 5.464 75 1HD ARG 9 2HD ARG 9 -2.932 -5.977 6.604 76 2HD ARG 9 1HD ARG 9 -1.727 -5.837 7.880 77 HE ARG 9 HE ARG 9 -3.549 -3.770 6.987 78 1HH1 ARG 9 1HH2 ARG 9 -2.055 -4.575 9.720 79 2HH1 ARG 9 2HH2 ARG 9 -1.318 -3.046 10.066 80 1HH2 ARG 9 1HH1 ARG 9 -1.927 -1.742 6.914 81 2HH2 ARG 9 2HH1 ARG 9 -1.245 -1.443 8.478 82 H VAL 10 H VAL 10 3.442 -5.355 7.058 83 HA VAL 10 HA VAL 10 4.304 -2.707 7.564 84 HB VAL 10 HB VAL 10 6.138 -5.113 7.519 85 1HG1 VAL 10 1HG1 VAL 10 6.934 -2.614 7.718 86 2HG1 VAL 10 2HG1 VAL 10 7.595 -3.823 8.830 87 3HG1 VAL 10 3HG1 VAL 10 6.314 -2.741 9.371 88 1HG2 VAL 10 1HG2 VAL 10 3.935 -4.506 9.366 89 2HG2 VAL 10 2HG2 VAL 10 5.487 -4.727 10.171 90 3HG2 VAL 10 3HG2 VAL 10 4.846 -6.003 9.133 91 H ILE 11 H ILE 11 5.374 -5.244 5.468 92 HA ILE 11 HA ILE 11 7.433 -3.925 4.137 93 HB ILE 11 HB ILE 11 5.563 -6.110 3.188 94 1HG1 ILE 11 2HG1 ILE 11 8.310 -6.420 4.438 95 2HG1 ILE 11 1HG1 ILE 11 6.826 -6.482 5.395 96 1HG2 ILE 11 1HG2 ILE 11 8.373 -5.455 2.268 97 2HG2 ILE 11 2HG2 ILE 11 6.909 -4.994 1.394 98 3HG2 ILE 11 3HG2 ILE 11 7.302 -6.706 1.626 99 1HD1 ILE 11 1HD1 ILE 11 7.148 -8.202 2.932 100 2HD1 ILE 11 2HD1 ILE 11 6.068 -8.438 4.311 101 3HD1 ILE 11 3HD1 ILE 11 7.801 -8.722 4.488 102 H ALA 12 H ALA 12 4.052 -4.431 3.357 103 HA ALA 12 HA ALA 12 4.014 -2.978 0.926 104 1HB ALA 12 1HB ALA 12 1.985 -4.028 2.851 105 2HB ALA 12 2HB ALA 12 2.397 -4.604 1.229 106 3HB ALA 12 3HB ALA 12 1.508 -3.092 1.428 107 H ILE 13 H ILE 13 2.812 -2.079 4.208 108 HA ILE 13 HA ILE 13 1.878 0.449 3.444 109 HB ILE 13 HB ILE 13 1.413 -0.719 5.647 110 1HG1 ILE 13 2HG1 ILE 13 2.053 2.117 5.183 111 2HG1 ILE 13 1HG1 ILE 13 0.591 1.399 5.837 112 1HG2 ILE 13 1HG2 ILE 13 4.034 0.473 6.584 113 2HG2 ILE 13 2HG2 ILE 13 3.938 -1.174 5.998 114 3HG2 ILE 13 3HG2 ILE 13 3.005 -0.701 7.403 115 1HD1 ILE 13 1HD1 ILE 13 3.173 2.000 7.288 116 2HD1 ILE 13 2HD1 ILE 13 1.883 1.013 7.981 117 3HD1 ILE 13 3HD1 ILE 13 1.583 2.708 7.590 118 H GLY 14 H GLY 14 4.988 -0.761 4.414 119 1HA GLY 14 2HA GLY 14 6.346 1.674 4.648 120 2HA GLY 14 1HA GLY 14 7.090 0.087 4.371 121 H GLU 15 H GLU 15 5.654 -0.571 1.965 122 HA GLU 15 HA GLU 15 7.246 0.762 -0.002 123 1HB GLU 15 2HB GLU 15 4.859 -1.077 -0.251 124 2HB GLU 15 1HB GLU 15 5.829 -0.532 -1.612 125 1HG GLU 15 2HG GLU 15 7.485 -1.657 0.514 126 2HG GLU 15 1HG GLU 15 6.269 -2.808 -0.056 127 H ILE 16 H ILE 16 3.842 0.761 0.847 128 HA ILE 16 HA ILE 16 2.905 2.439 -1.168 129 HB ILE 16 HB ILE 16 1.704 1.965 1.550 130 1HG1 ILE 16 2HG1 ILE 16 2.438 0.065 -0.376 131 2HG1 ILE 16 1HG1 ILE 16 1.396 -0.189 1.007 132 1HG2 ILE 16 1HG2 ILE 16 -0.336 2.608 0.673 133 2HG2 ILE 16 2HG2 ILE 16 0.172 2.421 -1.013 134 3HG2 ILE 16 3HG2 ILE 16 0.763 3.774 -0.049 135 1HD1 ILE 16 1HD1 ILE 16 -0.417 -0.426 -0.284 136 2HD1 ILE 16 2HD1 ILE 16 0.744 -0.669 -1.585 137 3HD1 ILE 16 3HD1 ILE 16 0.018 0.919 -1.347 138 H MET 17 H MET 17 3.726 3.025 2.209 139 HA MET 17 HA MET 17 3.052 5.775 2.295 140 1HB MET 17 2HB MET 17 4.806 4.034 4.052 141 2HB MET 17 1HB MET 17 4.416 5.720 4.426 142 1HG MET 17 2HG MET 17 2.314 3.594 3.918 143 2HG MET 17 1HG MET 17 2.898 4.007 5.527 144 1HE MET 17 1HE MET 17 0.094 4.005 5.385 145 2HE MET 17 2HE MET 17 -0.054 4.209 3.645 146 3HE MET 17 3HE MET 17 -0.830 5.365 4.728 147 H ARG 18 H ARG 18 5.852 4.099 1.112 148 HA ARG 18 HA ARG 18 7.810 6.134 1.384 149 1HB ARG 18 2HB ARG 18 8.336 3.776 0.945 150 2HB ARG 18 1HB ARG 18 7.532 3.874 -0.616 151 1HG ARG 18 2HG ARG 18 9.184 5.683 -1.253 152 2HG ARG 18 1HG ARG 18 10.051 5.323 0.242 153 1HD ARG 18 2HD ARG 18 9.393 3.282 -1.893 154 2HD ARG 18 1HD ARG 18 10.947 4.102 -1.759 155 HE ARG 18 HE ARG 18 11.288 2.957 0.361 156 1HH1 ARG 18 1HH1 ARG 18 10.105 1.089 -2.019 157 2HH1 ARG 18 2HH1 ARG 18 9.291 -0.076 -1.029 158 1HH2 ARG 18 1HH2 ARG 18 9.570 1.802 1.866 159 2HH2 ARG 18 2HH2 ARG 18 8.988 0.328 1.167 160 H LEU 19 H LEU 19 5.333 5.421 -0.939 161 HA LEU 19 HA LEU 19 6.070 6.804 -3.171 162 1HB LEU 19 2HB LEU 19 3.276 6.609 -2.057 163 2HB LEU 19 1HB LEU 19 3.744 6.781 -3.752 164 HG LEU 19 HG LEU 19 4.538 4.446 -1.983 165 1HD1 LEU 19 1HD1 LEU 19 2.946 3.114 -3.073 166 2HD1 LEU 19 2HD1 LEU 19 2.583 4.367 -4.267 167 3HD1 LEU 19 3HD1 LEU 19 2.083 4.570 -2.587 168 1HD2 LEU 19 1HD2 LEU 19 4.910 3.646 -4.548 169 2HD2 LEU 19 2HD2 LEU 19 6.171 4.343 -3.528 170 3HD2 LEU 19 3HD2 LEU 19 5.300 5.367 -4.680 171 HA PRO 20 HA PRO 20 6.107 10.991 -1.447 172 1HB PRO 20 2HB PRO 20 7.376 11.918 -3.851 173 2HB PRO 20 1HB PRO 20 8.114 11.631 -2.270 174 1HG PRO 20 2HG PRO 20 8.544 10.174 -4.607 175 2HG PRO 20 1HG PRO 20 9.044 9.720 -2.967 176 1HD PRO 20 2HD PRO 20 6.810 8.690 -4.607 177 2HD PRO 20 1HD PRO 20 7.665 7.932 -3.249 178 H ASN 21 H ASN 21 4.640 9.861 -4.392 179 HA ASN 21 HA ASN 21 3.658 12.522 -5.129 180 1HB ASN 21 2HB ASN 21 3.180 9.814 -6.388 181 2HB ASN 21 1HB ASN 21 2.646 11.335 -7.062 182 1HD2 ASN 21 1HD2 ASN 21 4.718 9.397 -8.114 183 2HD2 ASN 21 2HD2 ASN 21 6.137 10.312 -8.287 184 H LEU 22 H LEU 22 2.052 9.417 -4.577 185 HA LEU 22 HA LEU 22 -0.553 10.068 -4.525 186 1HB LEU 22 2HB LEU 22 0.901 8.299 -2.570 187 2HB LEU 22 1HB LEU 22 -0.857 8.314 -2.778 188 HG LEU 22 HG LEU 22 0.890 7.989 -5.187 189 1HD1 LEU 22 1HD1 LEU 22 0.755 5.514 -4.786 190 2HD1 LEU 22 2HD1 LEU 22 0.214 5.868 -3.144 191 3HD1 LEU 22 3HD1 LEU 22 1.812 6.381 -3.678 192 1HD2 LEU 22 1HD2 LEU 22 -1.422 6.306 -4.969 193 2HD2 LEU 22 2HD2 LEU 22 -1.108 7.615 -6.120 194 3HD2 LEU 22 3HD2 LEU 22 -1.878 7.966 -4.570 195 H ASN 23 H ASN 23 -2.116 10.598 -3.048 196 HA ASN 23 HA ASN 23 -1.285 12.528 -0.993 197 1HB ASN 23 2HB ASN 23 -3.840 12.804 -0.818 198 2HB ASN 23 1HB ASN 23 -3.088 13.353 -2.312 199 1HD2 ASN 23 1HD2 ASN 23 -3.631 12.245 -4.271 200 2HD2 ASN 23 2HD2 ASN 23 -4.763 10.982 -4.328 201 H SER 24 H SER 24 -2.207 12.273 1.182 202 HA SER 24 HA SER 24 -1.596 9.835 2.295 203 1HB SER 24 2HB SER 24 -2.921 10.518 4.253 204 2HB SER 24 1HB SER 24 -1.807 11.763 3.682 205 HG SER 24 HG SER 24 -4.605 11.569 3.219 206 H LEU 25 H LEU 25 -4.707 10.882 0.999 207 HA LEU 25 HA LEU 25 -6.257 8.770 2.055 208 1HB LEU 25 2HB LEU 25 -6.669 10.171 -0.583 209 2HB LEU 25 1HB LEU 25 -7.872 9.324 0.374 210 HG LEU 25 HG LEU 25 -7.271 11.038 2.243 211 1HD1 LEU 25 1HD1 LEU 25 -6.819 13.277 0.738 212 2HD1 LEU 25 2HD1 LEU 25 -5.813 12.107 -0.113 213 3HD1 LEU 25 3HD1 LEU 25 -5.551 12.411 1.603 214 1HD2 LEU 25 1HD2 LEU 25 -9.426 11.156 1.351 215 2HD2 LEU 25 2HD2 LEU 25 -8.825 11.452 -0.283 216 3HD2 LEU 25 3HD2 LEU 25 -8.778 12.742 0.922 217 H GLN 26 H GLN 26 -4.610 9.129 -1.082 218 HA GLN 26 HA GLN 26 -5.320 6.581 -2.032 219 1HB GLN 26 2HB GLN 26 -3.105 8.452 -2.675 220 2HB GLN 26 1HB GLN 26 -3.223 6.887 -3.442 221 1HG GLN 26 2HG GLN 26 -5.502 8.868 -3.365 222 2HG GLN 26 1HG GLN 26 -4.338 8.806 -4.698 223 1HE2 GLN 26 1HE2 GLN 26 -4.065 6.406 -5.600 224 2HE2 GLN 26 2HE2 GLN 26 -5.515 5.548 -5.810 225 H VAL 27 H VAL 27 -2.575 7.873 -0.346 226 HA VAL 27 HA VAL 27 -0.940 5.633 -0.187 227 HB VAL 27 HB VAL 27 -1.430 8.033 1.576 228 1HG1 VAL 27 1HG1 VAL 27 -0.392 6.978 3.241 229 2HG1 VAL 27 2HG1 VAL 27 1.071 7.209 2.280 230 3HG1 VAL 27 3HG1 VAL 27 0.194 5.682 2.190 231 1HG2 VAL 27 1HG2 VAL 27 -0.119 7.725 -0.847 232 2HG2 VAL 27 2HG2 VAL 27 1.193 7.711 0.328 233 3HG2 VAL 27 3HG2 VAL 27 0.080 9.078 0.262 234 H VAL 28 H VAL 28 -3.548 6.822 1.811 235 HA VAL 28 HA VAL 28 -3.475 4.637 3.658 236 HB VAL 28 HB VAL 28 -5.566 6.761 3.315 237 1HG1 VAL 28 1HG1 VAL 28 -4.967 4.747 5.521 238 2HG1 VAL 28 2HG1 VAL 28 -6.383 4.691 4.458 239 3HG1 VAL 28 3HG1 VAL 28 -6.198 6.013 5.615 240 1HG2 VAL 28 1HG2 VAL 28 -4.202 8.058 4.613 241 2HG2 VAL 28 2HG2 VAL 28 -2.918 6.950 4.103 242 3HG2 VAL 28 3HG2 VAL 28 -3.749 6.692 5.639 243 H ALA 29 H ALA 29 -5.209 5.417 0.806 244 HA ALA 29 HA ALA 29 -7.344 3.648 0.808 245 1HB ALA 29 1HB ALA 29 -6.596 5.432 -0.924 246 2HB ALA 29 2HB ALA 29 -7.330 3.946 -1.532 247 3HB ALA 29 3HB ALA 29 -5.573 4.148 -1.588 248 H PHE 30 H PHE 30 -3.984 3.322 0.072 249 HA PHE 30 HA PHE 30 -4.086 0.658 -0.824 250 1HB PHE 30 2HB PHE 30 -2.040 2.647 -0.052 251 2HB PHE 30 1HB PHE 30 -1.587 0.969 -0.231 252 HD1 PHE 30 1HD PHE 30 -2.019 3.981 -1.893 253 HD2 PHE 30 2HD PHE 30 -2.595 -0.216 -2.380 254 HE1 PHE 30 1HE PHE 30 -2.197 4.314 -4.284 255 HE2 PHE 30 2HE PHE 30 -2.682 0.083 -4.823 256 HZ PHE 30 HZ PHE 30 -2.509 2.355 -5.807 257 H ILE 31 H ILE 31 -3.357 2.323 2.260 258 HA ILE 31 HA ILE 31 -2.476 0.029 3.660 259 HB ILE 31 HB ILE 31 -4.286 2.180 4.820 260 1HG1 ILE 31 2HG1 ILE 31 -1.260 2.087 4.888 261 2HG1 ILE 31 1HG1 ILE 31 -2.182 3.105 3.783 262 1HG2 ILE 31 1HG2 ILE 31 -3.065 1.518 6.943 263 2HG2 ILE 31 2HG2 ILE 31 -2.398 0.152 6.051 264 3HG2 ILE 31 3HG2 ILE 31 -4.140 0.280 6.295 265 1HD1 ILE 31 1HD1 ILE 31 -1.518 3.655 6.501 266 2HD1 ILE 31 2HD1 ILE 31 -3.262 3.414 6.429 267 3HD1 ILE 31 3HD1 ILE 31 -2.503 4.632 5.417 268 H ASN 32 H ASN 32 -5.600 1.352 2.842 269 HA ASN 32 HA ASN 32 -7.232 -0.489 4.268 270 1HB ASN 32 2HB ASN 32 -7.593 1.521 2.089 271 2HB ASN 32 1HB ASN 32 -8.897 0.379 2.397 272 1HD2 ASN 32 1HD2 ASN 32 -7.594 3.364 3.359 273 2HD2 ASN 32 2HD2 ASN 32 -8.408 3.522 4.840 274 H SER 33 H SER 33 -5.905 -0.506 0.976 275 HA SER 33 HA SER 33 -7.409 -2.731 0.082 276 1HB SER 33 2HB SER 33 -4.696 -1.820 -0.872 277 2HB SER 33 1HB SER 33 -5.867 -2.795 -1.757 278 HG SER 33 HG SER 33 -6.297 -0.154 -0.806 279 H LEU 34 H LEU 34 -4.340 -2.382 1.780 280 HA LEU 34 HA LEU 34 -3.331 -5.007 1.485 281 1HB LEU 34 2HB LEU 34 -3.042 -3.625 4.143 282 2HB LEU 34 1HB LEU 34 -1.887 -4.632 3.282 283 HG LEU 34 HG LEU 34 -2.655 -1.788 2.668 284 1HD1 LEU 34 1HD1 LEU 34 -0.176 -3.157 3.657 285 2HD1 LEU 34 2HD1 LEU 34 -1.025 -1.778 4.354 286 3HD1 LEU 34 3HD1 LEU 34 -0.096 -1.585 2.866 287 1HD2 LEU 34 1HD2 LEU 34 -0.658 -2.223 0.958 288 2HD2 LEU 34 2HD2 LEU 34 -2.340 -2.508 0.504 289 3HD2 LEU 34 3HD2 LEU 34 -1.321 -3.857 0.998 290 H ARG 35 H ARG 35 -5.451 -3.683 4.015 291 HA ARG 35 HA ARG 35 -5.735 -6.200 5.360 292 1HB ARG 35 2HB ARG 35 -7.455 -5.080 6.700 293 2HB ARG 35 1HB ARG 35 -5.996 -4.112 6.561 294 1HG ARG 35 2HG ARG 35 -7.029 -2.768 4.786 295 2HG ARG 35 1HG ARG 35 -8.502 -3.729 4.903 296 1HD ARG 35 2HD ARG 35 -8.676 -3.032 7.313 297 2HD ARG 35 1HD ARG 35 -7.301 -1.962 7.055 298 HE ARG 35 HE ARG 35 -8.868 -0.466 6.252 299 1HH1 ARG 35 1HH1 ARG 35 -10.952 -2.861 6.740 300 2HH1 ARG 35 2HH1 ARG 35 -11.834 -2.742 5.254 301 1HH2 ARG 35 1HH2 ARG 35 -9.516 -0.670 3.742 302 2HH2 ARG 35 2HH2 ARG 35 -11.020 -1.504 3.558 303 H ASP 36 H ASP 36 -7.514 -4.485 2.902 304 HA ASP 36 HA ASP 36 -9.827 -6.136 2.884 305 1HB ASP 36 2HB ASP 36 -8.544 -4.364 0.779 306 2HB ASP 36 1HB ASP 36 -10.074 -5.202 0.532 307 H ASP 37 H ASP 37 -6.582 -6.468 1.888 308 HA ASP 37 HA ASP 37 -6.874 -9.212 1.177 309 1HB ASP 37 2HB ASP 37 -7.828 -7.993 -0.851 310 2HB ASP 37 1HB ASP 37 -6.198 -7.417 -1.150 311 HA PRO 38 HA PRO 38 -2.623 -8.091 2.438 312 1HB PRO 38 2HB PRO 38 -2.236 -10.818 3.277 313 2HB PRO 38 1HB PRO 38 -2.381 -9.364 4.275 314 1HG PRO 38 2HG PRO 38 -4.236 -11.417 4.083 315 2HG PRO 38 1HG PRO 38 -4.490 -9.818 4.780 316 1HD PRO 38 2HD PRO 38 -5.435 -10.885 2.195 317 2HD PRO 38 1HD PRO 38 -6.069 -9.536 3.163 318 H SER 39 H SER 39 -3.685 -10.941 0.651 319 HA SER 39 HA SER 39 -1.190 -11.721 -0.420 320 1HB SER 39 2HB SER 39 -3.289 -13.110 -0.455 321 2HB SER 39 1HB SER 39 -3.913 -12.048 -1.712 322 HG SER 39 HG SER 39 -1.982 -12.587 -2.911 323 H GLN 40 H GLN 40 -3.529 -9.277 -1.244 324 HA GLN 40 HA GLN 40 -2.224 -8.672 -3.761 325 1HB GLN 40 2HB GLN 40 -4.634 -7.513 -2.380 326 2HB GLN 40 1HB GLN 40 -3.977 -6.843 -3.869 327 1HG GLN 40 2HG GLN 40 -4.788 -9.747 -3.554 328 2HG GLN 40 1HG GLN 40 -5.846 -8.506 -4.222 329 1HE2 GLN 40 1HE2 GLN 40 -3.667 -10.880 -5.135 330 2HE2 GLN 40 2HE2 GLN 40 -3.210 -10.255 -6.647 331 H SER 41 H SER 41 -1.635 -7.902 -0.557 332 HA SER 41 HA SER 41 -1.088 -5.149 -0.582 333 1HB SER 41 2HB SER 41 0.411 -7.367 0.852 334 2HB SER 41 1HB SER 41 0.583 -5.657 1.211 335 HG SER 41 HG SER 41 -1.974 -6.794 1.149 336 H ALA 42 H ALA 42 0.579 -7.899 -1.846 337 HA ALA 42 HA ALA 42 3.045 -6.784 -2.581 338 1HB ALA 42 1HB ALA 42 1.485 -8.948 -3.992 339 2HB ALA 42 2HB ALA 42 2.437 -9.223 -2.525 340 3HB ALA 42 3HB ALA 42 3.238 -8.721 -4.015 341 H ASN 43 H ASN 43 -0.017 -7.145 -4.245 342 HA ASN 43 HA ASN 43 0.752 -6.061 -6.774 343 1HB ASN 43 2HB ASN 43 -1.816 -6.607 -5.341 344 2HB ASN 43 1HB ASN 43 -1.771 -5.949 -6.973 345 1HD2 ASN 43 1HD2 ASN 43 -0.839 -8.802 -5.030 346 2HD2 ASN 43 2HD2 ASN 43 -0.738 -9.869 -6.345 347 H LEU 44 H LEU 44 -0.743 -4.940 -3.881 348 HA LEU 44 HA LEU 44 -1.805 -2.560 -4.801 349 1HB LEU 44 2HB LEU 44 -1.068 -3.541 -2.091 350 2HB LEU 44 1HB LEU 44 -1.901 -2.016 -2.339 351 HG LEU 44 HG LEU 44 -2.880 -4.545 -3.647 352 1HD1 LEU 44 1HD1 LEU 44 -4.608 -4.551 -1.748 353 2HD1 LEU 44 2HD1 LEU 44 -3.430 -3.597 -0.849 354 3HD1 LEU 44 3HD1 LEU 44 -3.018 -5.214 -1.407 355 1HD2 LEU 44 1HD2 LEU 44 -4.156 -1.924 -2.902 356 2HD2 LEU 44 2HD2 LEU 44 -4.991 -3.281 -3.662 357 3HD2 LEU 44 3HD2 LEU 44 -3.691 -2.455 -4.525 358 H LEU 45 H LEU 45 1.426 -3.106 -3.383 359 HA LEU 45 HA LEU 45 1.903 -0.246 -3.488 360 1HB LEU 45 2HB LEU 45 4.443 -1.502 -3.870 361 2HB LEU 45 1HB LEU 45 3.887 -0.556 -2.507 362 HG LEU 45 HG LEU 45 4.678 -2.689 -1.762 363 1HD1 LEU 45 1HD1 LEU 45 2.814 -1.768 -0.554 364 2HD1 LEU 45 2HD1 LEU 45 2.659 -3.519 -0.621 365 3HD1 LEU 45 3HD1 LEU 45 1.669 -2.508 -1.654 366 1HD2 LEU 45 1HD2 LEU 45 4.610 -4.176 -3.470 367 2HD2 LEU 45 2HD2 LEU 45 3.051 -3.613 -4.054 368 3HD2 LEU 45 3HD2 LEU 45 3.140 -4.681 -2.650 369 H ALA 46 H ALA 46 2.091 -2.970 -5.577 370 HA ALA 46 HA ALA 46 3.608 -1.893 -7.697 371 1HB ALA 46 1HB ALA 46 1.272 -3.531 -8.440 372 2HB ALA 46 2HB ALA 46 2.313 -4.267 -7.223 373 3HB ALA 46 3HB ALA 46 2.981 -3.798 -8.789 374 H GLU 47 H GLU 47 0.202 -1.876 -6.871 375 HA GLU 47 HA GLU 47 -0.797 -0.333 -9.022 376 1HB GLU 47 2HB GLU 47 -1.628 -1.262 -6.316 377 2HB GLU 47 1HB GLU 47 -2.527 0.088 -7.016 378 1HG GLU 47 2HG GLU 47 -3.313 -1.195 -8.802 379 2HG GLU 47 1HG GLU 47 -2.015 -2.380 -8.653 380 H ALA 48 H ALA 48 0.148 0.295 -5.733 381 HA ALA 48 HA ALA 48 -0.304 3.031 -5.562 382 1HB ALA 48 1HB ALA 48 0.326 1.270 -3.760 383 2HB ALA 48 2HB ALA 48 0.840 2.939 -3.560 384 3HB ALA 48 3HB ALA 48 1.977 1.729 -4.158 385 H LYS 49 H LYS 49 2.606 1.237 -6.427 386 HA LYS 49 HA LYS 49 4.253 3.509 -6.889 387 1HB LYS 49 2HB LYS 49 4.369 0.654 -7.900 388 2HB LYS 49 1HB LYS 49 5.594 1.858 -8.304 389 1HG LYS 49 2HG LYS 49 6.124 2.191 -5.951 390 2HG LYS 49 1HG LYS 49 4.814 1.129 -5.457 391 1HD LYS 49 2HD LYS 49 5.970 -0.726 -6.766 392 2HD LYS 49 1HD LYS 49 7.344 0.366 -6.941 393 1HE LYS 49 2HE LYS 49 7.381 0.583 -4.416 394 2HE LYS 49 1HE LYS 49 6.169 -0.696 -4.353 395 1HZ LYS 49 1HZ LYS 49 8.981 -0.844 -5.173 396 2HZ LYS 49 2HZ LYS 49 7.867 -1.929 -5.856 397 3HZ LYS 49 3HZ LYS 49 8.093 -1.887 -4.173 398 H LYS 50 H LYS 50 1.935 1.684 -8.832 399 HA LYS 50 HA LYS 50 2.507 3.055 -11.301 400 1HB LYS 50 2HB LYS 50 0.294 1.255 -10.322 401 2HB LYS 50 1HB LYS 50 0.127 2.124 -11.851 402 1HG LYS 50 2HG LYS 50 2.343 1.150 -12.561 403 2HG LYS 50 1HG LYS 50 2.327 0.167 -11.102 404 1HD LYS 50 2HD LYS 50 0.114 0.138 -13.177 405 2HD LYS 50 1HD LYS 50 1.448 -1.014 -13.151 406 1HE LYS 50 2HE LYS 50 0.734 -1.493 -10.708 407 2HE LYS 50 1HE LYS 50 -0.765 -0.663 -11.126 408 1HZ LYS 50 1HZ LYS 50 -1.000 -2.211 -13.006 409 2HZ LYS 50 2HZ LYS 50 -1.022 -2.998 -11.500 410 3HZ LYS 50 3HZ LYS 50 0.371 -3.052 -12.469 411 H LEU 51 H LEU 51 0.393 3.469 -8.568 412 HA LEU 51 HA LEU 51 -1.292 5.540 -9.554 413 1HB LEU 51 2HB LEU 51 -0.655 4.220 -7.007 414 2HB LEU 51 1HB LEU 51 -1.184 5.862 -6.861 415 HG LEU 51 HG LEU 51 -3.022 4.244 -6.667 416 1HD1 LEU 51 1HD1 LEU 51 -3.230 6.005 -9.116 417 2HD1 LEU 51 2HD1 LEU 51 -3.371 6.572 -7.443 418 3HD1 LEU 51 3HD1 LEU 51 -4.560 5.440 -8.103 419 1HD2 LEU 51 1HD2 LEU 51 -3.714 3.302 -9.056 420 2HD2 LEU 51 2HD2 LEU 51 -2.574 2.421 -8.028 421 3HD2 LEU 51 3HD2 LEU 51 -1.978 3.420 -9.355 422 H ASN 52 H ASN 52 1.600 5.400 -7.610 423 HA ASN 52 HA ASN 52 1.906 8.081 -6.933 424 1HB ASN 52 2HB ASN 52 3.096 6.228 -5.865 425 2HB ASN 52 1HB ASN 52 3.926 5.863 -7.370 426 1HD2 ASN 52 1HD2 ASN 52 5.768 7.137 -7.928 427 2HD2 ASN 52 2HD2 ASN 52 6.406 8.324 -6.897 428 H ASP 53 H ASP 53 3.183 6.154 -9.553 429 HA ASP 53 HA ASP 53 4.503 8.261 -10.875 430 1HB ASP 53 2HB ASP 53 3.641 5.525 -11.809 431 2HB ASP 53 1HB ASP 53 4.712 6.594 -12.713 432 H ALA 54 H ALA 54 1.349 6.726 -11.199 433 HA ALA 54 HA ALA 54 0.610 7.947 -13.680 434 1HB ALA 54 1HB ALA 54 -1.658 7.159 -13.043 435 2HB ALA 54 2HB ALA 54 -0.999 6.707 -11.470 436 3HB ALA 54 3HB ALA 54 -0.421 5.905 -12.937 437 H GLN 55 H GLN 55 -0.130 8.746 -10.301 438 HA GLN 55 HA GLN 55 -1.971 10.839 -11.052 439 1HB GLN 55 2HB GLN 55 -0.747 9.988 -8.434 440 2HB GLN 55 1HB GLN 55 -1.848 11.348 -8.589 441 1HG GLN 55 2HG GLN 55 -3.557 9.810 -9.557 442 2HG GLN 55 1HG GLN 55 -2.454 8.460 -9.267 443 1HE2 GLN 55 1HE2 GLN 55 -1.807 10.589 -6.800 444 2HE2 GLN 55 2HE2 GLN 55 -2.874 9.965 -5.628 445 H ALA 56 H ALA 56 1.169 10.620 -9.511 446 HA ALA 56 HA ALA 56 2.731 12.258 -8.980 447 1HB ALA 56 1HB ALA 56 1.992 13.310 -11.726 448 2HB ALA 56 2HB ALA 56 3.020 11.902 -11.465 449 3HB ALA 56 3HB ALA 56 3.537 13.491 -10.893 450 HA PRO 57 HA PRO 57 -0.779 15.282 -8.168 451 1HB PRO 57 2HB PRO 57 -0.701 14.675 -5.343 452 2HB PRO 57 1HB PRO 57 -2.018 14.427 -6.500 453 1HG PRO 57 2HG PRO 57 -0.573 12.423 -5.323 454 2HG PRO 57 1HG PRO 57 -1.478 12.280 -6.831 455 1HD PRO 57 2HD PRO 57 1.457 12.652 -6.440 456 2HD PRO 57 1HD PRO 57 0.608 11.691 -7.662 457 H LYS 58 H LYS 58 0.691 16.934 -8.648 458 HA LYS 58 HA LYS 58 2.143 18.669 -8.303 459 1HB LYS 58 2HB LYS 58 0.986 18.454 -5.505 460 2HB LYS 58 1HB LYS 58 1.871 19.844 -6.136 461 1HG LYS 58 2HG LYS 58 0.184 20.081 -7.942 462 2HG LYS 58 1HG LYS 58 -0.716 18.725 -7.262 463 1HD LYS 58 2HD LYS 58 -0.910 20.010 -5.112 464 2HD LYS 58 1HD LYS 58 -0.162 21.389 -5.920 465 1HE LYS 58 2HE LYS 58 -1.984 21.682 -7.382 466 2HE LYS 58 1HE LYS 58 -2.582 20.044 -7.114 467 1HZ LYS 58 1HZ LYS 58 -2.972 20.747 -4.751 468 2HZ LYS 58 2HZ LYS 58 -3.983 21.477 -5.904 469 3HZ LYS 58 3HZ LYS 58 -2.677 22.342 -5.244 Start of MODEL 16 1 1H VAL 1 1HT VAL 1 -1.551 -9.692 15.313 2 2H VAL 1 2HT VAL 1 -2.251 -11.142 14.772 3 3H VAL 1 3HT VAL 1 -1.521 -10.081 13.663 4 HA VAL 1 HA VAL 1 0.589 -10.666 14.226 5 HB VAL 1 HB VAL 1 1.119 -11.756 16.440 6 1HG1 VAL 1 1HG1 VAL 1 -0.309 -9.087 16.671 7 2HG1 VAL 1 2HG1 VAL 1 1.325 -9.294 16.039 8 3HG1 VAL 1 3HG1 VAL 1 0.973 -9.693 17.719 9 1HG2 VAL 1 1HG2 VAL 1 -1.009 -12.727 17.041 10 2HG2 VAL 1 2HG2 VAL 1 -1.823 -11.166 16.927 11 3HG2 VAL 1 3HG2 VAL 1 -0.669 -11.467 18.225 12 H ASP 2 H ASP 2 -2.104 -12.763 15.172 13 HA ASP 2 HA ASP 2 -0.908 -15.260 14.648 14 1HB ASP 2 2HB ASP 2 -3.172 -16.134 14.610 15 2HB ASP 2 1HB ASP 2 -3.050 -14.923 15.882 16 H ASN 3 H ASN 3 -2.524 -12.932 12.580 17 HA ASN 3 HA ASN 3 -2.331 -14.671 10.230 18 1HB ASN 3 2HB ASN 3 -3.439 -11.863 10.512 19 2HB ASN 3 1HB ASN 3 -3.590 -12.906 9.101 20 1HD2 ASN 3 1HD2 ASN 3 -5.449 -11.828 11.539 21 2HD2 ASN 3 2HD2 ASN 3 -6.417 -13.193 11.823 22 H LYS 4 H LYS 4 -1.241 -13.978 8.307 23 HA LYS 4 HA LYS 4 1.287 -12.709 8.842 24 1HB LYS 4 2HB LYS 4 0.132 -13.696 6.231 25 2HB LYS 4 1HB LYS 4 1.807 -13.214 6.493 26 1HG LYS 4 2HG LYS 4 1.899 -14.998 8.322 27 2HG LYS 4 1HG LYS 4 0.353 -15.579 7.704 28 1HD LYS 4 2HD LYS 4 2.898 -15.306 6.064 29 2HD LYS 4 1HD LYS 4 2.271 -16.817 6.717 30 1HE LYS 4 2HE LYS 4 1.328 -16.937 4.618 31 2HE LYS 4 1HE LYS 4 0.061 -16.006 5.414 32 1HZ LYS 4 1HZ LYS 4 2.001 -15.175 3.423 33 2HZ LYS 4 2HZ LYS 4 1.733 -14.064 4.678 34 3HZ LYS 4 3HZ LYS 4 0.435 -14.596 3.721 35 H PHE 5 H PHE 5 -1.586 -11.381 8.479 36 HA PHE 5 HA PHE 5 -1.554 -9.530 6.427 37 1HB PHE 5 2HB PHE 5 -2.644 -9.490 9.222 38 2HB PHE 5 1HB PHE 5 -2.748 -8.063 8.205 39 HD1 PHE 5 1HD PHE 5 -4.950 -7.842 7.527 40 HD2 PHE 5 2HD PHE 5 -3.080 -11.722 7.386 41 HE1 PHE 5 1HE PHE 5 -6.971 -8.764 6.441 42 HE2 PHE 5 2HE PHE 5 -5.121 -12.641 6.290 43 HZ PHE 5 HZ PHE 5 -7.056 -11.149 5.818 44 H ASN 6 H ASN 6 -0.492 -8.941 9.787 45 HA ASN 6 HA ASN 6 0.343 -6.326 9.465 46 1HB ASN 6 2HB ASN 6 1.587 -8.394 11.271 47 2HB ASN 6 1HB ASN 6 1.673 -6.647 11.466 48 1HD2 ASN 6 1HD2 ASN 6 -0.859 -5.723 11.183 49 2HD2 ASN 6 2HD2 ASN 6 -1.935 -6.487 12.250 50 H LYS 7 H LYS 7 2.338 -9.271 9.172 51 HA LYS 7 HA LYS 7 4.750 -7.934 8.596 52 1HB LYS 7 2HB LYS 7 4.896 -10.188 9.253 53 2HB LYS 7 1HB LYS 7 3.749 -10.716 8.031 54 1HG LYS 7 2HG LYS 7 6.064 -11.329 7.407 55 2HG LYS 7 1HG LYS 7 5.376 -10.198 6.251 56 1HD LYS 7 2HD LYS 7 7.628 -9.471 6.719 57 2HD LYS 7 1HD LYS 7 6.547 -8.330 7.504 58 1HE LYS 7 2HE LYS 7 8.458 -9.021 8.946 59 2HE LYS 7 1HE LYS 7 6.895 -9.412 9.657 60 1HZ LYS 7 1HZ LYS 7 7.149 -11.650 9.183 61 2HZ LYS 7 2HZ LYS 7 8.721 -11.194 9.638 62 3HZ LYS 7 3HZ LYS 7 8.329 -11.383 7.996 63 H GLU 8 H GLU 8 2.155 -9.123 6.512 64 HA GLU 8 HA GLU 8 3.463 -8.519 4.045 65 1HB GLU 8 2HB GLU 8 1.169 -9.849 4.836 66 2HB GLU 8 1HB GLU 8 0.510 -8.399 4.102 67 1HG GLU 8 2HG GLU 8 0.696 -9.866 2.283 68 2HG GLU 8 1HG GLU 8 2.190 -8.942 2.161 69 H ARG 9 H ARG 9 1.360 -6.863 6.262 70 HA ARG 9 HA ARG 9 0.877 -4.565 4.685 71 1HB ARG 9 2HB ARG 9 0.341 -5.299 7.542 72 2HB ARG 9 1HB ARG 9 0.038 -3.666 6.947 73 1HG ARG 9 2HG ARG 9 -1.523 -4.426 5.331 74 2HG ARG 9 1HG ARG 9 -1.029 -6.104 5.505 75 1HD ARG 9 2HD ARG 9 -3.167 -5.733 6.621 76 2HD ARG 9 1HD ARG 9 -1.924 -6.106 7.812 77 HE ARG 9 HE ARG 9 -1.912 -3.793 8.467 78 1HH1 ARG 9 1HH2 ARG 9 -2.879 -2.701 5.768 79 2HH1 ARG 9 2HH2 ARG 9 -4.463 -2.138 6.184 80 1HH2 ARG 9 1HH1 ARG 9 -4.578 -3.884 9.175 81 2HH2 ARG 9 2HH1 ARG 9 -5.423 -2.807 8.115 82 H VAL 10 H VAL 10 3.318 -5.360 7.120 83 HA VAL 10 HA VAL 10 4.176 -2.700 7.613 84 HB VAL 10 HB VAL 10 6.003 -5.113 7.613 85 1HG1 VAL 10 1HG1 VAL 10 6.827 -2.627 7.771 86 2HG1 VAL 10 2HG1 VAL 10 7.454 -3.810 8.928 87 3HG1 VAL 10 3HG1 VAL 10 6.177 -2.697 9.415 88 1HG2 VAL 10 1HG2 VAL 10 5.320 -4.637 10.259 89 2HG2 VAL 10 2HG2 VAL 10 4.743 -5.969 9.258 90 3HG2 VAL 10 3HG2 VAL 10 3.780 -4.494 9.413 91 H ILE 11 H ILE 11 5.261 -5.260 5.565 92 HA ILE 11 HA ILE 11 7.329 -3.968 4.233 93 HB ILE 11 HB ILE 11 5.457 -6.181 3.359 94 1HG1 ILE 11 2HG1 ILE 11 8.241 -6.390 4.552 95 2HG1 ILE 11 1HG1 ILE 11 6.773 -6.485 5.532 96 1HG2 ILE 11 1HG2 ILE 11 8.229 -5.532 2.328 97 2HG2 ILE 11 2HG2 ILE 11 6.736 -5.091 1.494 98 3HG2 ILE 11 3HG2 ILE 11 7.140 -6.797 1.752 99 1HD1 ILE 11 1HD1 ILE 11 7.773 -8.715 4.722 100 2HD1 ILE 11 2HD1 ILE 11 7.201 -8.260 3.114 101 3HD1 ILE 11 3HD1 ILE 11 6.047 -8.473 4.436 102 H ALA 12 H ALA 12 3.944 -4.451 3.433 103 HA ALA 12 HA ALA 12 3.943 -3.014 0.991 104 1HB ALA 12 1HB ALA 12 1.871 -4.002 2.907 105 2HB ALA 12 2HB ALA 12 2.305 -4.625 1.308 106 3HB ALA 12 3HB ALA 12 1.437 -3.095 1.450 107 H ILE 13 H ILE 13 2.736 -2.077 4.265 108 HA ILE 13 HA ILE 13 1.834 0.458 3.473 109 HB ILE 13 HB ILE 13 1.337 -0.683 5.681 110 1HG1 ILE 13 2HG1 ILE 13 2.023 2.138 5.202 111 2HG1 ILE 13 1HG1 ILE 13 0.550 1.447 5.859 112 1HG2 ILE 13 1HG2 ILE 13 3.980 0.464 6.615 113 2HG2 ILE 13 2HG2 ILE 13 3.841 -1.189 6.055 114 3HG2 ILE 13 3HG2 ILE 13 2.917 -0.668 7.452 115 1HD1 ILE 13 1HD1 ILE 13 3.139 2.020 7.309 116 2HD1 ILE 13 2HD1 ILE 13 1.832 1.058 8.008 117 3HD1 ILE 13 3HD1 ILE 13 1.558 2.754 7.603 118 H GLY 14 H GLY 14 4.925 -0.780 4.471 119 1HA GLY 14 2HA GLY 14 6.310 1.644 4.686 120 2HA GLY 14 1HA GLY 14 7.037 0.046 4.429 121 H GLU 15 H GLU 15 5.592 -0.610 2.020 122 HA GLU 15 HA GLU 15 7.227 0.681 0.059 123 1HB GLU 15 2HB GLU 15 4.813 -1.122 -0.193 124 2HB GLU 15 1HB GLU 15 5.796 -0.600 -1.553 125 1HG GLU 15 2HG GLU 15 7.481 -1.709 0.528 126 2HG GLU 15 1HG GLU 15 6.199 -2.850 0.095 127 H ILE 16 H ILE 16 3.801 0.738 0.860 128 HA ILE 16 HA ILE 16 2.942 2.430 -1.186 129 HB ILE 16 HB ILE 16 1.638 2.024 1.496 130 1HG1 ILE 16 2HG1 ILE 16 2.409 0.054 -0.356 131 2HG1 ILE 16 1HG1 ILE 16 1.347 -0.147 1.018 132 1HG2 ILE 16 1HG2 ILE 16 -0.336 2.708 0.548 133 2HG2 ILE 16 2HG2 ILE 16 0.172 2.376 -1.117 134 3HG2 ILE 16 3HG2 ILE 16 0.802 3.778 -0.255 135 1HD1 ILE 16 1HD1 ILE 16 0.709 -0.744 -1.538 136 2HD1 ILE 16 2HD1 ILE 16 0.041 0.886 -1.426 137 3HD1 ILE 16 3HD1 ILE 16 -0.474 -0.367 -0.289 138 H MET 17 H MET 17 3.723 3.005 2.199 139 HA MET 17 HA MET 17 3.089 5.761 2.286 140 1HB MET 17 2HB MET 17 4.840 4.006 4.032 141 2HB MET 17 1HB MET 17 4.470 5.696 4.407 142 1HG MET 17 2HG MET 17 2.345 3.589 3.920 143 2HG MET 17 1HG MET 17 2.943 4.004 5.523 144 1HE MET 17 1HE MET 17 0.130 4.001 5.335 145 2HE MET 17 2HE MET 17 -0.008 4.248 3.598 146 3HE MET 17 3HE MET 17 -0.778 5.385 4.707 147 H ARG 18 H ARG 18 5.869 4.064 1.079 148 HA ARG 18 HA ARG 18 7.838 6.100 1.340 149 1HB ARG 18 2HB ARG 18 8.365 3.733 0.879 150 2HB ARG 18 1HB ARG 18 7.577 3.862 -0.690 151 1HG ARG 18 2HG ARG 18 9.218 5.656 -1.309 152 2HG ARG 18 1HG ARG 18 10.051 5.365 0.220 153 1HD ARG 18 2HD ARG 18 10.343 2.976 -0.449 154 2HD ARG 18 1HD ARG 18 9.608 3.356 -2.005 155 HE ARG 18 HE ARG 18 11.571 4.494 -2.619 156 1HH1 ARG 18 1HH1 ARG 18 13.096 2.333 -1.350 157 2HH1 ARG 18 2HH1 ARG 18 14.134 3.162 -0.240 158 1HH2 ARG 18 1HH2 ARG 18 12.281 6.088 -0.289 159 2HH2 ARG 18 2HH2 ARG 18 13.672 5.288 0.362 160 H LEU 19 H LEU 19 5.373 5.356 -0.974 161 HA LEU 19 HA LEU 19 6.069 6.750 -3.207 162 1HB LEU 19 2HB LEU 19 3.296 6.510 -2.057 163 2HB LEU 19 1HB LEU 19 3.728 6.709 -3.758 164 HG LEU 19 HG LEU 19 4.596 4.371 -2.026 165 1HD1 LEU 19 1HD1 LEU 19 2.149 4.411 -2.567 166 2HD1 LEU 19 2HD1 LEU 19 3.037 3.015 -3.170 167 3HD1 LEU 19 3HD1 LEU 19 2.596 4.325 -4.273 168 1HD2 LEU 19 1HD2 LEU 19 4.952 3.611 -4.603 169 2HD2 LEU 19 2HD2 LEU 19 6.211 4.325 -3.592 170 3HD2 LEU 19 3HD2 LEU 19 5.299 5.341 -4.723 171 HA PRO 20 HA PRO 20 6.091 10.930 -1.491 172 1HB PRO 20 2HB PRO 20 7.297 11.871 -3.921 173 2HB PRO 20 1HB PRO 20 8.065 11.603 -2.351 174 1HG PRO 20 2HG PRO 20 8.491 10.143 -4.681 175 2HG PRO 20 1HG PRO 20 8.997 9.691 -3.044 176 1HD PRO 20 2HD PRO 20 6.750 8.659 -4.670 177 2HD PRO 20 1HD PRO 20 7.632 7.892 -3.333 178 H ASN 21 H ASN 21 4.506 9.820 -4.400 179 HA ASN 21 HA ASN 21 3.493 12.520 -4.988 180 1HB ASN 21 2HB ASN 21 2.889 9.932 -6.451 181 2HB ASN 21 1HB ASN 21 2.518 11.558 -6.987 182 1HD2 ASN 21 1HD2 ASN 21 4.486 9.424 -8.056 183 2HD2 ASN 21 2HD2 ASN 21 5.950 10.270 -8.213 184 H LEU 22 H LEU 22 1.882 9.370 -4.686 185 HA LEU 22 HA LEU 22 -0.706 9.931 -4.463 186 1HB LEU 22 2HB LEU 22 0.816 8.217 -2.498 187 2HB LEU 22 1HB LEU 22 -0.935 8.157 -2.747 188 HG LEU 22 HG LEU 22 0.913 7.854 -5.096 189 1HD1 LEU 22 1HD1 LEU 22 1.773 6.280 -3.512 190 2HD1 LEU 22 2HD1 LEU 22 0.802 5.390 -4.679 191 3HD1 LEU 22 3HD1 LEU 22 0.156 5.739 -3.074 192 1HD2 LEU 22 1HD2 LEU 22 -1.093 7.625 -6.054 193 2HD2 LEU 22 2HD2 LEU 22 -1.914 7.634 -4.488 194 3HD2 LEU 22 3HD2 LEU 22 -1.285 6.118 -5.154 195 H ASN 23 H ASN 23 -2.211 10.709 -3.066 196 HA ASN 23 HA ASN 23 -1.244 12.543 -1.003 197 1HB ASN 23 2HB ASN 23 -3.771 12.916 -0.708 198 2HB ASN 23 1HB ASN 23 -3.076 13.423 -2.245 199 1HD2 ASN 23 1HD2 ASN 23 -4.042 12.565 -4.108 200 2HD2 ASN 23 2HD2 ASN 23 -5.106 11.243 -4.112 201 H SER 24 H SER 24 -2.102 12.328 1.217 202 HA SER 24 HA SER 24 -1.475 9.889 2.316 203 1HB SER 24 2HB SER 24 -2.715 10.587 4.316 204 2HB SER 24 1HB SER 24 -1.648 11.846 3.691 205 HG SER 24 HG SER 24 -4.456 11.599 3.313 206 H LEU 25 H LEU 25 -4.607 10.967 1.118 207 HA LEU 25 HA LEU 25 -6.158 8.870 2.193 208 1HB LEU 25 2HB LEU 25 -6.605 10.273 -0.438 209 2HB LEU 25 1HB LEU 25 -7.798 9.449 0.550 210 HG LEU 25 HG LEU 25 -7.125 11.160 2.399 211 1HD1 LEU 25 1HD1 LEU 25 -6.681 13.385 0.869 212 2HD1 LEU 25 2HD1 LEU 25 -5.708 12.197 0.005 213 3HD1 LEU 25 3HD1 LEU 25 -5.405 12.511 1.712 214 1HD2 LEU 25 1HD2 LEU 25 -8.640 12.879 1.104 215 2HD2 LEU 25 2HD2 LEU 25 -9.299 11.304 1.558 216 3HD2 LEU 25 3HD2 LEU 25 -8.732 11.585 -0.092 217 H GLN 26 H GLN 26 -4.562 9.186 -0.997 218 HA GLN 26 HA GLN 26 -5.355 6.634 -1.862 219 1HB GLN 26 2HB GLN 26 -3.128 8.425 -2.678 220 2HB GLN 26 1HB GLN 26 -3.405 6.871 -3.423 221 1HG GLN 26 2HG GLN 26 -5.518 9.022 -3.186 222 2HG GLN 26 1HG GLN 26 -4.508 8.811 -4.621 223 1HE2 GLN 26 1HE2 GLN 26 -4.954 6.975 -6.006 224 2HE2 GLN 26 2HE2 GLN 26 -6.329 6.003 -5.796 225 H VAL 27 H VAL 27 -2.527 7.920 -0.319 226 HA VAL 27 HA VAL 27 -0.917 5.654 -0.210 227 HB VAL 27 HB VAL 27 -1.300 8.101 1.510 228 1HG1 VAL 27 1HG1 VAL 27 -0.387 6.947 3.213 229 2HG1 VAL 27 2HG1 VAL 27 1.110 7.280 2.338 230 3HG1 VAL 27 3HG1 VAL 27 0.315 5.715 2.153 231 1HG2 VAL 27 1HG2 VAL 27 1.122 8.433 0.636 232 2HG2 VAL 27 2HG2 VAL 27 -0.208 8.660 -0.498 233 3HG2 VAL 27 3HG2 VAL 27 0.720 7.162 -0.517 234 H VAL 28 H VAL 28 -3.452 6.885 1.848 235 HA VAL 28 HA VAL 28 -3.367 4.709 3.706 236 HB VAL 28 HB VAL 28 -5.404 6.890 3.396 237 1HG1 VAL 28 1HG1 VAL 28 -4.867 4.819 5.564 238 2HG1 VAL 28 2HG1 VAL 28 -6.332 4.923 4.577 239 3HG1 VAL 28 3HG1 VAL 28 -5.967 6.188 5.752 240 1HG2 VAL 28 1HG2 VAL 28 -3.509 6.711 5.668 241 2HG2 VAL 28 2HG2 VAL 28 -3.998 8.125 4.725 242 3HG2 VAL 28 3HG2 VAL 28 -2.754 7.026 4.103 243 H ALA 29 H ALA 29 -5.158 5.506 0.888 244 HA ALA 29 HA ALA 29 -7.298 3.734 0.958 245 1HB ALA 29 1HB ALA 29 -7.367 4.034 -1.387 246 2HB ALA 29 2HB ALA 29 -5.617 4.278 -1.503 247 3HB ALA 29 3HB ALA 29 -6.650 5.531 -0.788 248 H PHE 30 H PHE 30 -3.970 3.428 0.040 249 HA PHE 30 HA PHE 30 -4.085 0.778 -0.853 250 1HB PHE 30 2HB PHE 30 -2.049 2.800 -0.154 251 2HB PHE 30 1HB PHE 30 -1.556 1.123 -0.280 252 HD1 PHE 30 1HD PHE 30 -2.205 4.069 -2.060 253 HD2 PHE 30 2HD PHE 30 -2.469 -0.181 -2.361 254 HE1 PHE 30 1HE PHE 30 -2.435 4.291 -4.461 255 HE2 PHE 30 2HE PHE 30 -2.598 0.011 -4.811 256 HZ PHE 30 HZ PHE 30 -2.607 2.244 -5.892 257 H ILE 31 H ILE 31 -3.349 2.392 2.254 258 HA ILE 31 HA ILE 31 -2.431 0.081 3.606 259 HB ILE 31 HB ILE 31 -4.243 2.209 4.808 260 1HG1 ILE 31 2HG1 ILE 31 -1.216 2.097 4.862 261 2HG1 ILE 31 1HG1 ILE 31 -2.140 3.143 3.785 262 1HG2 ILE 31 1HG2 ILE 31 -2.360 0.152 6.000 263 2HG2 ILE 31 2HG2 ILE 31 -4.101 0.281 6.249 264 3HG2 ILE 31 3HG2 ILE 31 -3.022 1.504 6.916 265 1HD1 ILE 31 1HD1 ILE 31 -3.217 3.413 6.426 266 2HD1 ILE 31 2HD1 ILE 31 -2.423 4.639 5.452 267 3HD1 ILE 31 3HD1 ILE 31 -1.469 3.615 6.521 268 H ASN 32 H ASN 32 -5.580 1.371 2.803 269 HA ASN 32 HA ASN 32 -7.195 -0.499 4.205 270 1HB ASN 32 2HB ASN 32 -7.699 1.805 2.923 271 2HB ASN 32 1HB ASN 32 -8.158 0.680 1.649 272 1HD2 ASN 32 1HD2 ASN 32 -9.096 1.982 4.752 273 2HD2 ASN 32 2HD2 ASN 32 -10.543 1.106 4.902 274 H SER 33 H SER 33 -5.891 -0.475 0.898 275 HA SER 33 HA SER 33 -7.309 -2.729 -0.008 276 1HB SER 33 2HB SER 33 -4.582 -1.824 -0.913 277 2HB SER 33 1HB SER 33 -5.772 -2.747 -1.827 278 HG SER 33 HG SER 33 -7.138 -0.752 -1.232 279 H LEU 34 H LEU 34 -4.267 -2.364 1.733 280 HA LEU 34 HA LEU 34 -3.247 -4.987 1.458 281 1HB LEU 34 2HB LEU 34 -3.005 -3.574 4.103 282 2HB LEU 34 1HB LEU 34 -1.829 -4.586 3.277 283 HG LEU 34 HG LEU 34 -2.614 -1.757 2.608 284 1HD1 LEU 34 1HD1 LEU 34 -0.040 -1.559 2.811 285 2HD1 LEU 34 2HD1 LEU 34 -0.153 -3.091 3.672 286 3HD1 LEU 34 3HD1 LEU 34 -0.996 -1.672 4.289 287 1HD2 LEU 34 1HD2 LEU 34 -2.273 -2.490 0.459 288 2HD2 LEU 34 2HD2 LEU 34 -1.271 -3.843 0.973 289 3HD2 LEU 34 3HD2 LEU 34 -0.595 -2.215 0.921 290 H ARG 35 H ARG 35 -5.413 -3.655 3.947 291 HA ARG 35 HA ARG 35 -5.736 -6.182 5.269 292 1HB ARG 35 2HB ARG 35 -7.509 -5.064 6.567 293 2HB ARG 35 1HB ARG 35 -6.007 -4.159 6.529 294 1HG ARG 35 2HG ARG 35 -6.907 -2.710 4.756 295 2HG ARG 35 1HG ARG 35 -8.433 -3.594 4.810 296 1HD ARG 35 2HD ARG 35 -8.621 -2.964 7.238 297 2HD ARG 35 1HD ARG 35 -7.184 -1.963 7.042 298 HE ARG 35 HE ARG 35 -8.443 -0.492 5.647 299 1HH1 ARG 35 1HH1 ARG 35 -10.329 -2.563 4.467 300 2HH1 ARG 35 2HH1 ARG 35 -11.836 -2.114 5.194 301 1HH2 ARG 35 1HH2 ARG 35 -10.373 -0.152 7.642 302 2HH2 ARG 35 2HH2 ARG 35 -11.862 -0.751 6.989 303 H ASP 36 H ASP 36 -7.446 -4.434 2.783 304 HA ASP 36 HA ASP 36 -9.782 -6.050 2.703 305 1HB ASP 36 2HB ASP 36 -8.405 -4.393 0.559 306 2HB ASP 36 1HB ASP 36 -9.991 -5.131 0.372 307 H ASP 37 H ASP 37 -6.510 -6.418 1.798 308 HA ASP 37 HA ASP 37 -6.768 -9.166 1.123 309 1HB ASP 37 2HB ASP 37 -7.725 -7.982 -0.936 310 2HB ASP 37 1HB ASP 37 -6.090 -7.424 -1.242 311 HA PRO 38 HA PRO 38 -2.533 -7.904 2.371 312 1HB PRO 38 2HB PRO 38 -2.139 -10.568 3.396 313 2HB PRO 38 1HB PRO 38 -2.308 -9.053 4.294 314 1HG PRO 38 2HG PRO 38 -4.143 -11.140 4.198 315 2HG PRO 38 1HG PRO 38 -4.412 -9.513 4.826 316 1HD PRO 38 2HD PRO 38 -5.364 -10.710 2.309 317 2HD PRO 38 1HD PRO 38 -5.977 -9.293 3.191 318 H SER 39 H SER 39 -3.632 -10.827 0.735 319 HA SER 39 HA SER 39 -1.148 -11.731 -0.266 320 1HB SER 39 2HB SER 39 -3.838 -12.045 -1.621 321 2HB SER 39 1HB SER 39 -2.427 -13.085 -1.781 322 HG SER 39 HG SER 39 -4.103 -12.697 0.470 323 H GLN 40 H GLN 40 -3.432 -9.288 -1.232 324 HA GLN 40 HA GLN 40 -2.031 -8.769 -3.726 325 1HB GLN 40 2HB GLN 40 -4.508 -7.562 -2.499 326 2HB GLN 40 1HB GLN 40 -3.803 -6.997 -4.009 327 1HG GLN 40 2HG GLN 40 -4.610 -9.877 -3.524 328 2HG GLN 40 1HG GLN 40 -5.665 -8.691 -4.287 329 1HE2 GLN 40 1HE2 GLN 40 -3.364 -11.061 -4.973 330 2HE2 GLN 40 2HE2 GLN 40 -2.922 -10.542 -6.527 331 H SER 41 H SER 41 -1.455 -8.003 -0.578 332 HA SER 41 HA SER 41 -1.023 -5.225 -0.525 333 1HB SER 41 2HB SER 41 0.465 -5.621 1.321 334 2HB SER 41 1HB SER 41 -0.757 -6.874 1.438 335 HG SER 41 HG SER 41 0.666 -8.345 0.792 336 H ALA 42 H ALA 42 0.711 -7.881 -1.903 337 HA ALA 42 HA ALA 42 3.130 -6.643 -2.639 338 1HB ALA 42 1HB ALA 42 2.635 -9.110 -2.573 339 2HB ALA 42 2HB ALA 42 3.414 -8.570 -4.063 340 3HB ALA 42 3HB ALA 42 1.671 -8.881 -4.039 341 H ASN 43 H ASN 43 0.064 -7.111 -4.258 342 HA ASN 43 HA ASN 43 0.781 -6.042 -6.808 343 1HB ASN 43 2HB ASN 43 -1.741 -6.645 -5.325 344 2HB ASN 43 1HB ASN 43 -1.761 -5.956 -6.945 345 1HD2 ASN 43 1HD2 ASN 43 -1.152 -7.350 -8.731 346 2HD2 ASN 43 2HD2 ASN 43 -0.873 -9.012 -8.527 347 H LEU 44 H LEU 44 -0.667 -4.919 -3.894 348 HA LEU 44 HA LEU 44 -1.757 -2.543 -4.818 349 1HB LEU 44 2HB LEU 44 -1.006 -3.524 -2.110 350 2HB LEU 44 1HB LEU 44 -1.850 -2.002 -2.358 351 HG LEU 44 HG LEU 44 -2.807 -4.538 -3.661 352 1HD1 LEU 44 1HD1 LEU 44 -4.543 -4.541 -1.761 353 2HD1 LEU 44 2HD1 LEU 44 -3.355 -3.597 -0.866 354 3HD1 LEU 44 3HD1 LEU 44 -2.953 -5.213 -1.430 355 1HD2 LEU 44 1HD2 LEU 44 -4.077 -1.905 -2.956 356 2HD2 LEU 44 2HD2 LEU 44 -4.940 -3.278 -3.655 357 3HD2 LEU 44 3HD2 LEU 44 -3.652 -2.492 -4.570 358 H LEU 45 H LEU 45 1.473 -3.087 -3.417 359 HA LEU 45 HA LEU 45 1.965 -0.236 -3.515 360 1HB LEU 45 2HB LEU 45 4.501 -1.515 -3.901 361 2HB LEU 45 1HB LEU 45 3.950 -0.559 -2.544 362 HG LEU 45 HG LEU 45 4.715 -2.699 -1.786 363 1HD1 LEU 45 1HD1 LEU 45 2.852 -1.733 -0.594 364 2HD1 LEU 45 2HD1 LEU 45 2.705 -3.484 -0.617 365 3HD1 LEU 45 3HD1 LEU 45 1.709 -2.502 -1.675 366 1HD2 LEU 45 1HD2 LEU 45 4.302 -4.656 -2.827 367 2HD2 LEU 45 2HD2 LEU 45 3.892 -3.616 -4.194 368 3HD2 LEU 45 3HD2 LEU 45 2.629 -4.244 -3.152 369 H ALA 46 H ALA 46 2.135 -2.954 -5.599 370 HA ALA 46 HA ALA 46 3.639 -1.883 -7.742 371 1HB ALA 46 1HB ALA 46 3.015 -3.794 -8.820 372 2HB ALA 46 2HB ALA 46 1.305 -3.533 -8.460 373 3HB ALA 46 3HB ALA 46 2.360 -4.263 -7.249 374 H GLU 47 H GLU 47 0.250 -1.863 -6.860 375 HA GLU 47 HA GLU 47 -0.771 -0.351 -9.041 376 1HB GLU 47 2HB GLU 47 -1.609 -1.319 -6.356 377 2HB GLU 47 1HB GLU 47 -2.494 0.066 -6.999 378 1HG GLU 47 2HG GLU 47 -3.327 -1.135 -8.811 379 2HG GLU 47 1HG GLU 47 -2.038 -2.338 -8.739 380 H ALA 48 H ALA 48 0.131 0.306 -5.738 381 HA ALA 48 HA ALA 48 -0.383 3.048 -5.619 382 1HB ALA 48 1HB ALA 48 0.788 3.014 -3.596 383 2HB ALA 48 2HB ALA 48 1.858 1.720 -4.141 384 3HB ALA 48 3HB ALA 48 0.181 1.370 -3.749 385 H LYS 49 H LYS 49 2.586 1.289 -6.342 386 HA LYS 49 HA LYS 49 4.216 3.564 -6.830 387 1HB LYS 49 2HB LYS 49 4.362 0.698 -7.810 388 2HB LYS 49 1HB LYS 49 5.579 1.907 -8.220 389 1HG LYS 49 2HG LYS 49 6.121 2.254 -5.886 390 2HG LYS 49 1HG LYS 49 4.789 1.231 -5.365 391 1HD LYS 49 2HD LYS 49 5.906 -0.672 -6.643 392 2HD LYS 49 1HD LYS 49 7.306 0.386 -6.824 393 1HE LYS 49 2HE LYS 49 6.113 -0.110 -4.097 394 2HE LYS 49 1HE LYS 49 7.244 -1.263 -4.799 395 1HZ LYS 49 1HZ LYS 49 7.737 1.624 -4.319 396 2HZ LYS 49 2HZ LYS 49 8.818 0.577 -5.106 397 3HZ LYS 49 3HZ LYS 49 8.427 0.327 -3.471 398 H LYS 50 H LYS 50 1.910 1.714 -8.738 399 HA LYS 50 HA LYS 50 2.495 2.960 -11.250 400 1HB LYS 50 2HB LYS 50 1.116 0.766 -10.687 401 2HB LYS 50 1HB LYS 50 -0.231 1.888 -10.590 402 1HG LYS 50 2HG LYS 50 -0.330 1.395 -12.841 403 2HG LYS 50 1HG LYS 50 0.789 2.756 -12.901 404 1HD LYS 50 2HD LYS 50 1.809 1.039 -14.210 405 2HD LYS 50 1HD LYS 50 2.679 1.038 -12.677 406 1HE LYS 50 2HE LYS 50 1.557 -0.924 -11.918 407 2HE LYS 50 1HE LYS 50 0.311 -0.787 -13.161 408 1HZ LYS 50 1HZ LYS 50 1.740 -2.427 -13.943 409 2HZ LYS 50 2HZ LYS 50 3.138 -1.588 -13.467 410 3HZ LYS 50 3HZ LYS 50 2.227 -1.043 -14.793 411 H LEU 51 H LEU 51 0.224 3.536 -8.585 412 HA LEU 51 HA LEU 51 -1.163 5.717 -9.795 413 1HB LEU 51 2HB LEU 51 -1.012 4.510 -7.094 414 2HB LEU 51 1HB LEU 51 -1.539 6.178 -7.209 415 HG LEU 51 HG LEU 51 -3.196 5.483 -8.929 416 1HD1 LEU 51 1HD1 LEU 51 -2.473 2.689 -8.001 417 2HD1 LEU 51 2HD1 LEU 51 -1.971 3.392 -9.547 418 3HD1 LEU 51 3HD1 LEU 51 -3.686 3.124 -9.210 419 1HD2 LEU 51 1HD2 LEU 51 -4.791 4.883 -7.308 420 2HD2 LEU 51 2HD2 LEU 51 -3.554 5.735 -6.374 421 3HD2 LEU 51 3HD2 LEU 51 -3.619 3.967 -6.366 422 H ASN 52 H ASN 52 1.599 5.393 -7.692 423 HA ASN 52 HA ASN 52 1.929 8.070 -6.965 424 1HB ASN 52 2HB ASN 52 3.132 6.130 -5.978 425 2HB ASN 52 1HB ASN 52 4.029 5.941 -7.479 426 1HD2 ASN 52 1HD2 ASN 52 5.905 7.184 -7.722 427 2HD2 ASN 52 2HD2 ASN 52 6.381 8.411 -6.648 428 H ASP 53 H ASP 53 3.173 6.151 -9.610 429 HA ASP 53 HA ASP 53 4.423 8.278 -10.984 430 1HB ASP 53 2HB ASP 53 3.625 5.513 -11.884 431 2HB ASP 53 1HB ASP 53 4.672 6.601 -12.792 432 H ALA 54 H ALA 54 1.332 6.602 -11.270 433 HA ALA 54 HA ALA 54 0.501 7.792 -13.728 434 1HB ALA 54 1HB ALA 54 -1.083 6.478 -11.527 435 2HB ALA 54 2HB ALA 54 -0.391 5.668 -12.934 436 3HB ALA 54 3HB ALA 54 -1.694 6.836 -13.139 437 H GLN 55 H GLN 55 -0.224 8.558 -10.334 438 HA GLN 55 HA GLN 55 -2.171 10.566 -11.062 439 1HB GLN 55 2HB GLN 55 -0.847 9.834 -8.445 440 2HB GLN 55 1HB GLN 55 -2.115 11.035 -8.614 441 1HG GLN 55 2HG GLN 55 -3.644 9.331 -9.503 442 2HG GLN 55 1HG GLN 55 -2.374 8.115 -9.370 443 1HE2 GLN 55 1HE2 GLN 55 -1.967 10.234 -6.777 444 2HE2 GLN 55 2HE2 GLN 55 -2.837 9.334 -5.614 445 H ALA 56 H ALA 56 1.055 10.423 -9.714 446 HA ALA 56 HA ALA 56 2.558 12.122 -9.167 447 1HB ALA 56 1HB ALA 56 2.996 11.589 -11.545 448 2HB ALA 56 2HB ALA 56 3.361 13.271 -11.163 449 3HB ALA 56 3HB ALA 56 1.875 12.864 -12.024 450 HA PRO 57 HA PRO 57 -1.379 14.835 -8.329 451 1HB PRO 57 2HB PRO 57 -0.001 15.312 -5.816 452 2HB PRO 57 1HB PRO 57 -1.537 14.471 -6.107 453 1HG PRO 57 2HG PRO 57 1.207 13.378 -5.903 454 2HG PRO 57 1HG PRO 57 -0.350 12.628 -5.485 455 1HD PRO 57 2HD PRO 57 0.878 11.791 -7.668 456 2HD PRO 57 1HD PRO 57 -0.849 12.161 -7.754 457 H LYS 58 H LYS 58 -1.061 16.580 -9.595 458 HA LYS 58 HA LYS 58 1.333 18.216 -9.443 459 1HB LYS 58 2HB LYS 58 -1.216 18.573 -11.049 460 2HB LYS 58 1HB LYS 58 0.267 19.507 -11.250 461 1HG LYS 58 2HG LYS 58 1.492 17.383 -11.745 462 2HG LYS 58 1HG LYS 58 -0.041 16.514 -11.659 463 1HD LYS 58 2HD LYS 58 -0.921 18.037 -13.468 464 2HD LYS 58 1HD LYS 58 0.708 18.695 -13.631 465 1HE LYS 58 2HE LYS 58 -0.106 15.798 -14.038 466 2HE LYS 58 1HE LYS 58 0.369 16.937 -15.298 467 1HZ LYS 58 1HZ LYS 58 2.525 17.156 -14.045 468 2HZ LYS 58 2HZ LYS 58 2.267 15.665 -14.817 469 3HZ LYS 58 3HZ LYS 58 2.049 15.805 -13.138 Start of MODEL 17 1 1H VAL 1 1HT VAL 1 -1.132 -13.380 17.913 2 2H VAL 1 2HT VAL 1 -0.069 -13.165 16.605 3 3H VAL 1 3HT VAL 1 -0.022 -14.599 17.514 4 HA VAL 1 HA VAL 1 -2.047 -15.362 16.673 5 HB VAL 1 HB VAL 1 -3.412 -13.857 15.145 6 1HG1 VAL 1 1HG1 VAL 1 -4.491 -12.678 16.993 7 2HG1 VAL 1 2HG1 VAL 1 -3.053 -12.872 17.995 8 3HG1 VAL 1 3HG1 VAL 1 -4.001 -14.284 17.530 9 1HG2 VAL 1 1HG2 VAL 1 -1.625 -12.211 14.644 10 2HG2 VAL 1 2HG2 VAL 1 -1.608 -11.715 16.335 11 3HG2 VAL 1 3HG2 VAL 1 -3.036 -11.421 15.346 12 H ASP 2 H ASP 2 -2.221 -16.399 14.666 13 HA ASP 2 HA ASP 2 0.140 -16.607 13.140 14 1HB ASP 2 2HB ASP 2 -1.591 -18.397 13.352 15 2HB ASP 2 1HB ASP 2 -2.646 -17.450 12.305 16 H ASN 3 H ASN 3 -2.655 -14.551 12.833 17 HA ASN 3 HA ASN 3 -2.903 -13.794 10.266 18 1HB ASN 3 2HB ASN 3 -2.592 -11.845 12.563 19 2HB ASN 3 1HB ASN 3 -3.368 -11.504 11.019 20 1HD2 ASN 3 1HD2 ASN 3 -4.369 -11.837 13.998 21 2HD2 ASN 3 2HD2 ASN 3 -5.739 -12.822 13.814 22 H LYS 4 H LYS 4 -1.340 -13.747 8.805 23 HA LYS 4 HA LYS 4 1.254 -12.590 9.366 24 1HB LYS 4 2HB LYS 4 0.214 -13.735 6.769 25 2HB LYS 4 1HB LYS 4 1.901 -13.456 7.201 26 1HG LYS 4 2HG LYS 4 1.620 -15.058 9.116 27 2HG LYS 4 1HG LYS 4 0.000 -15.418 8.523 28 1HD LYS 4 2HD LYS 4 1.085 -16.039 6.300 29 2HD LYS 4 1HD LYS 4 2.636 -15.951 7.135 30 1HE LYS 4 2HE LYS 4 0.358 -17.876 7.591 31 2HE LYS 4 1HE LYS 4 2.061 -18.232 7.318 32 1HZ LYS 4 1HZ LYS 4 0.800 -17.125 9.760 33 2HZ LYS 4 2HZ LYS 4 2.479 -17.080 9.500 34 3HZ LYS 4 3HZ LYS 4 1.671 -18.571 9.598 35 H PHE 5 H PHE 5 -1.548 -11.233 8.787 36 HA PHE 5 HA PHE 5 -1.416 -9.573 6.582 37 1HB PHE 5 2HB PHE 5 -2.573 -9.262 9.333 38 2HB PHE 5 1HB PHE 5 -2.615 -7.933 8.189 39 HD1 PHE 5 1HD PHE 5 -3.009 -11.632 7.634 40 HD2 PHE 5 2HD PHE 5 -4.817 -7.722 7.503 41 HE1 PHE 5 1HE PHE 5 -5.055 -12.587 6.579 42 HE2 PHE 5 2HE PHE 5 -6.839 -8.679 6.453 43 HZ PHE 5 HZ PHE 5 -6.959 -11.097 5.986 44 H ASN 6 H ASN 6 -0.442 -8.723 9.911 45 HA ASN 6 HA ASN 6 0.458 -6.168 9.400 46 1HB ASN 6 2HB ASN 6 1.555 -8.134 11.402 47 2HB ASN 6 1HB ASN 6 1.810 -6.394 11.434 48 1HD2 ASN 6 1HD2 ASN 6 0.434 -7.950 13.521 49 2HD2 ASN 6 2HD2 ASN 6 -1.158 -7.366 13.594 50 H LYS 7 H LYS 7 2.425 -9.153 9.370 51 HA LYS 7 HA LYS 7 4.856 -7.897 8.790 52 1HB LYS 7 2HB LYS 7 4.654 -10.211 9.580 53 2HB LYS 7 1HB LYS 7 3.965 -10.679 8.029 54 1HG LYS 7 2HG LYS 7 6.278 -11.241 7.878 55 2HG LYS 7 1HG LYS 7 6.113 -9.745 6.964 56 1HD LYS 7 2HD LYS 7 6.670 -9.356 9.848 57 2HD LYS 7 1HD LYS 7 7.962 -10.159 8.960 58 1HE LYS 7 2HE LYS 7 6.669 -7.576 8.041 59 2HE LYS 7 1HE LYS 7 8.136 -7.637 9.011 60 1HZ LYS 7 1HZ LYS 7 9.314 -8.658 7.313 61 2HZ LYS 7 2HZ LYS 7 8.366 -7.517 6.485 62 3HZ LYS 7 3HZ LYS 7 7.917 -9.155 6.491 63 H GLU 8 H GLU 8 2.308 -9.143 6.682 64 HA GLU 8 HA GLU 8 3.714 -8.627 4.225 65 1HB GLU 8 2HB GLU 8 1.892 -10.303 4.509 66 2HB GLU 8 1HB GLU 8 0.749 -8.993 4.785 67 1HG GLU 8 2HG GLU 8 0.709 -8.371 2.595 68 2HG GLU 8 1HG GLU 8 2.398 -8.791 2.320 69 H ARG 9 H ARG 9 1.494 -6.907 6.285 70 HA ARG 9 HA ARG 9 1.019 -4.717 4.561 71 1HB ARG 9 2HB ARG 9 0.440 -5.229 7.466 72 2HB ARG 9 1HB ARG 9 0.087 -3.679 6.701 73 1HG ARG 9 2HG ARG 9 -1.250 -4.847 4.983 74 2HG ARG 9 1HG ARG 9 -0.956 -6.379 5.772 75 1HD ARG 9 2HD ARG 9 -2.442 -4.003 6.916 76 2HD ARG 9 1HD ARG 9 -3.137 -5.549 6.428 77 HE ARG 9 HE ARG 9 -1.281 -6.255 8.302 78 1HH1 ARG 9 1HH2 ARG 9 -1.595 -3.614 9.604 79 2HH1 ARG 9 2HH2 ARG 9 -2.930 -3.864 10.679 80 1HH2 ARG 9 1HH1 ARG 9 -4.004 -6.749 9.093 81 2HH2 ARG 9 2HH1 ARG 9 -4.294 -5.638 10.389 82 H VAL 10 H VAL 10 3.421 -5.368 7.073 83 HA VAL 10 HA VAL 10 4.272 -2.706 7.503 84 HB VAL 10 HB VAL 10 6.121 -5.103 7.498 85 1HG1 VAL 10 1HG1 VAL 10 6.305 -2.657 9.257 86 2HG1 VAL 10 2HG1 VAL 10 6.950 -2.627 7.612 87 3HG1 VAL 10 3HG1 VAL 10 7.579 -3.783 8.793 88 1HG2 VAL 10 1HG2 VAL 10 4.880 -5.946 9.166 89 2HG2 VAL 10 2HG2 VAL 10 3.937 -4.461 9.345 90 3HG2 VAL 10 3HG2 VAL 10 5.497 -4.618 10.147 91 H ILE 11 H ILE 11 5.340 -5.269 5.450 92 HA ILE 11 HA ILE 11 7.394 -3.997 4.084 93 HB ILE 11 HB ILE 11 5.474 -6.170 3.218 94 1HG1 ILE 11 2HG1 ILE 11 8.261 -6.460 4.382 95 2HG1 ILE 11 1HG1 ILE 11 6.802 -6.521 5.378 96 1HG2 ILE 11 1HG2 ILE 11 6.786 -5.067 1.366 97 2HG2 ILE 11 2HG2 ILE 11 7.093 -6.800 1.578 98 3HG2 ILE 11 3HG2 ILE 11 8.258 -5.615 2.177 99 1HD1 ILE 11 1HD1 ILE 11 6.039 -8.503 4.354 100 2HD1 ILE 11 2HD1 ILE 11 7.782 -8.764 4.456 101 3HD1 ILE 11 3HD1 ILE 11 7.054 -8.267 2.926 102 H ALA 12 H ALA 12 4.004 -4.456 3.334 103 HA ALA 12 HA ALA 12 3.964 -3.022 0.887 104 1HB ALA 12 1HB ALA 12 1.449 -3.108 1.473 105 2HB ALA 12 2HB ALA 12 1.985 -4.118 2.831 106 3HB ALA 12 3HB ALA 12 2.331 -4.603 1.163 107 H ILE 13 H ILE 13 2.780 -2.108 4.166 108 HA ILE 13 HA ILE 13 1.843 0.419 3.407 109 HB ILE 13 HB ILE 13 1.378 -0.755 5.602 110 1HG1 ILE 13 2HG1 ILE 13 2.030 2.079 5.159 111 2HG1 ILE 13 1HG1 ILE 13 0.571 1.364 5.822 112 1HG2 ILE 13 1HG2 ILE 13 3.886 -1.244 5.948 113 2HG2 ILE 13 2HG2 ILE 13 2.973 -0.750 7.359 114 3HG2 ILE 13 3HG2 ILE 13 4.018 0.403 6.530 115 1HD1 ILE 13 1HD1 ILE 13 1.879 0.962 7.954 116 2HD1 ILE 13 2HD1 ILE 13 1.586 2.660 7.572 117 3HD1 ILE 13 3HD1 ILE 13 3.170 1.942 7.253 118 H GLY 14 H GLY 14 4.962 -0.787 4.364 119 1HA GLY 14 2HA GLY 14 6.315 1.655 4.585 120 2HA GLY 14 1HA GLY 14 7.063 0.070 4.313 121 H GLU 15 H GLU 15 5.612 -0.602 1.910 122 HA GLU 15 HA GLU 15 7.209 0.723 -0.058 123 1HB GLU 15 2HB GLU 15 4.800 -1.092 -0.297 124 2HB GLU 15 1HB GLU 15 5.753 -0.543 -1.668 125 1HG GLU 15 2HG GLU 15 7.461 -1.685 0.388 126 2HG GLU 15 1HG GLU 15 6.199 -2.825 -0.099 127 H ILE 16 H ILE 16 3.808 0.743 0.803 128 HA ILE 16 HA ILE 16 2.870 2.448 -1.194 129 HB ILE 16 HB ILE 16 1.680 1.953 1.526 130 1HG1 ILE 16 2HG1 ILE 16 2.400 0.064 -0.416 131 2HG1 ILE 16 1HG1 ILE 16 1.368 -0.196 0.973 132 1HG2 ILE 16 1HG2 ILE 16 -0.360 2.608 0.669 133 2HG2 ILE 16 2HG2 ILE 16 0.135 2.425 -1.022 134 3HG2 ILE 16 3HG2 ILE 16 0.736 3.773 -0.060 135 1HD1 ILE 16 1HD1 ILE 16 -0.025 0.925 -1.367 136 2HD1 ILE 16 2HD1 ILE 16 -0.458 -0.422 -0.303 137 3HD1 ILE 16 3HD1 ILE 16 0.691 -0.668 -1.614 138 H MET 17 H MET 17 3.682 3.015 2.193 139 HA MET 17 HA MET 17 2.966 5.743 2.324 140 1HB MET 17 2HB MET 17 4.780 4.007 4.022 141 2HB MET 17 1HB MET 17 4.393 5.689 4.425 142 1HG MET 17 2HG MET 17 2.286 3.566 3.930 143 2HG MET 17 1HG MET 17 2.902 3.957 5.532 144 1HE MET 17 1HE MET 17 -0.839 5.315 4.825 145 2HE MET 17 2HE MET 17 0.097 3.937 5.402 146 3HE MET 17 3HE MET 17 -0.082 4.201 3.672 147 H ARG 18 H ARG 18 5.843 4.177 1.130 148 HA ARG 18 HA ARG 18 7.696 6.302 1.401 149 1HB ARG 18 2HB ARG 18 8.292 3.948 0.960 150 2HB ARG 18 1HB ARG 18 7.535 4.056 -0.624 151 1HG ARG 18 2HG ARG 18 9.145 5.907 -1.192 152 2HG ARG 18 1HG ARG 18 9.963 5.593 0.341 153 1HD ARG 18 2HD ARG 18 9.499 3.539 -1.833 154 2HD ARG 18 1HD ARG 18 11.021 4.390 -1.573 155 HE ARG 18 HE ARG 18 10.156 2.092 -0.172 156 1HH1 ARG 18 1HH2 ARG 18 12.984 3.184 -0.168 157 2HH1 ARG 18 2HH2 ARG 18 13.204 3.588 1.501 158 1HH2 ARG 18 1HH1 ARG 18 9.822 3.487 2.243 159 2HH2 ARG 18 2HH1 ARG 18 11.415 3.760 2.866 160 H LEU 19 H LEU 19 5.307 5.432 -0.957 161 HA LEU 19 HA LEU 19 5.969 6.884 -3.179 162 1HB LEU 19 2HB LEU 19 3.187 6.488 -2.114 163 2HB LEU 19 1HB LEU 19 3.667 6.672 -3.801 164 HG LEU 19 HG LEU 19 4.526 4.402 -1.982 165 1HD1 LEU 19 1HD1 LEU 19 2.134 4.325 -2.586 166 2HD1 LEU 19 2HD1 LEU 19 3.068 3.002 -3.278 167 3HD1 LEU 19 3HD1 LEU 19 2.585 4.371 -4.292 168 1HD2 LEU 19 1HD2 LEU 19 5.293 5.276 -4.717 169 2HD2 LEU 19 2HD2 LEU 19 5.064 3.542 -4.467 170 3HD2 LEU 19 3HD2 LEU 19 6.235 4.428 -3.485 171 HA PRO 20 HA PRO 20 5.347 11.063 -1.469 172 1HB PRO 20 2HB PRO 20 6.899 12.114 -3.653 173 2HB PRO 20 1HB PRO 20 7.384 11.930 -1.961 174 1HG PRO 20 2HG PRO 20 8.427 10.525 -4.100 175 2HG PRO 20 1HG PRO 20 8.558 10.058 -2.395 176 1HD PRO 20 2HD PRO 20 6.739 9.007 -4.512 177 2HD PRO 20 1HD PRO 20 7.464 8.170 -3.122 178 H ASN 21 H ASN 21 4.440 9.685 -4.495 179 HA ASN 21 HA ASN 21 3.206 12.179 -5.455 180 1HB ASN 21 2HB ASN 21 3.644 9.514 -6.750 181 2HB ASN 21 1HB ASN 21 2.747 10.798 -7.516 182 1HD2 ASN 21 1HD2 ASN 21 5.567 9.527 -7.994 183 2HD2 ASN 21 2HD2 ASN 21 6.579 10.880 -8.132 184 H LEU 22 H LEU 22 2.237 10.118 -3.284 185 HA LEU 22 HA LEU 22 -0.567 10.057 -4.227 186 1HB LEU 22 2HB LEU 22 0.890 8.215 -2.325 187 2HB LEU 22 1HB LEU 22 -0.862 8.195 -2.572 188 HG LEU 22 HG LEU 22 1.026 7.975 -4.914 189 1HD1 LEU 22 1HD1 LEU 22 1.637 6.239 -3.296 190 2HD1 LEU 22 2HD1 LEU 22 0.856 5.537 -4.704 191 3HD1 LEU 22 3HD1 LEU 22 -0.039 5.720 -3.193 192 1HD2 LEU 22 1HD2 LEU 22 -1.366 6.406 -5.004 193 2HD2 LEU 22 2HD2 LEU 22 -0.911 7.779 -6.032 194 3HD2 LEU 22 3HD2 LEU 22 -1.796 8.049 -4.515 195 H ASN 23 H ASN 23 -2.153 10.822 -2.843 196 HA ASN 23 HA ASN 23 -1.165 12.519 -0.665 197 1HB ASN 23 2HB ASN 23 -3.772 12.872 -0.410 198 2HB ASN 23 1HB ASN 23 -2.889 13.680 -1.697 199 1HD2 ASN 23 1HD2 ASN 23 -3.505 13.228 -3.837 200 2HD2 ASN 23 2HD2 ASN 23 -4.647 12.042 -4.259 201 H SER 24 H SER 24 -2.188 12.266 1.503 202 HA SER 24 HA SER 24 -1.646 9.782 2.533 203 1HB SER 24 2HB SER 24 -2.966 10.415 4.495 204 2HB SER 24 1HB SER 24 -1.884 11.701 3.961 205 HG SER 24 HG SER 24 -4.669 11.451 3.432 206 H LEU 25 H LEU 25 -4.722 10.917 1.224 207 HA LEU 25 HA LEU 25 -6.318 8.777 2.143 208 1HB LEU 25 2HB LEU 25 -6.616 10.280 -0.456 209 2HB LEU 25 1HB LEU 25 -7.868 9.422 0.430 210 HG LEU 25 HG LEU 25 -7.269 11.062 2.381 211 1HD1 LEU 25 1HD1 LEU 25 -5.771 12.180 0.081 212 2HD1 LEU 25 2HD1 LEU 25 -5.551 12.460 1.806 213 3HD1 LEU 25 3HD1 LEU 25 -6.797 13.338 0.923 214 1HD2 LEU 25 1HD2 LEU 25 -8.758 12.814 1.098 215 2HD2 LEU 25 2HD2 LEU 25 -9.418 11.219 1.477 216 3HD2 LEU 25 3HD2 LEU 25 -8.803 11.560 -0.143 217 H GLN 26 H GLN 26 -4.604 9.224 -0.959 218 HA GLN 26 HA GLN 26 -5.341 6.736 -2.026 219 1HB GLN 26 2HB GLN 26 -3.050 8.554 -2.510 220 2HB GLN 26 1HB GLN 26 -3.301 7.088 -3.424 221 1HG GLN 26 2HG GLN 26 -5.353 7.841 -4.316 222 2HG GLN 26 1HG GLN 26 -5.528 9.086 -3.070 223 1HE2 GLN 26 1HE2 GLN 26 -5.658 9.476 -5.951 224 2HE2 GLN 26 2HE2 GLN 26 -4.402 10.542 -6.364 225 H VAL 27 H VAL 27 -2.589 7.923 -0.266 226 HA VAL 27 HA VAL 27 -0.981 5.657 -0.170 227 HB VAL 27 HB VAL 27 -1.426 8.060 1.594 228 1HG1 VAL 27 1HG1 VAL 27 0.191 5.666 2.225 229 2HG1 VAL 27 2HG1 VAL 27 -0.585 6.844 3.297 230 3HG1 VAL 27 3HG1 VAL 27 0.940 7.239 2.503 231 1HG2 VAL 27 1HG2 VAL 27 1.020 8.418 0.817 232 2HG2 VAL 27 2HG2 VAL 27 -0.264 8.657 -0.366 233 3HG2 VAL 27 3HG2 VAL 27 0.673 7.164 -0.374 234 H VAL 28 H VAL 28 -3.572 6.825 1.862 235 HA VAL 28 HA VAL 28 -3.491 4.608 3.670 236 HB VAL 28 HB VAL 28 -5.583 6.737 3.389 237 1HG1 VAL 28 1HG1 VAL 28 -6.397 4.646 4.492 238 2HG1 VAL 28 2HG1 VAL 28 -6.200 5.942 5.676 239 3HG1 VAL 28 3HG1 VAL 28 -4.975 4.673 5.546 240 1HG2 VAL 28 1HG2 VAL 28 -3.715 6.580 5.686 241 2HG2 VAL 28 2HG2 VAL 28 -4.222 7.992 4.753 242 3HG2 VAL 28 3HG2 VAL 28 -2.937 6.938 4.141 243 H ALA 29 H ALA 29 -5.242 5.429 0.844 244 HA ALA 29 HA ALA 29 -7.374 3.658 0.836 245 1HB ALA 29 1HB ALA 29 -6.605 5.454 -0.873 246 2HB ALA 29 2HB ALA 29 -7.368 3.989 -1.492 247 3HB ALA 29 3HB ALA 29 -5.607 4.163 -1.556 248 H PHE 30 H PHE 30 -4.015 3.340 0.086 249 HA PHE 30 HA PHE 30 -4.118 0.684 -0.834 250 1HB PHE 30 2HB PHE 30 -2.066 2.662 -0.037 251 2HB PHE 30 1HB PHE 30 -1.620 0.986 -0.252 252 HD1 PHE 30 1HD PHE 30 -2.622 -0.157 -2.423 253 HD2 PHE 30 2HD PHE 30 -2.052 4.036 -1.853 254 HE1 PHE 30 1HE PHE 30 -2.702 0.194 -4.862 255 HE2 PHE 30 2HE PHE 30 -2.212 4.416 -4.236 256 HZ PHE 30 HZ PHE 30 -2.518 2.486 -5.798 257 H ILE 31 H ILE 31 -3.374 2.320 2.265 258 HA ILE 31 HA ILE 31 -2.498 0.013 3.645 259 HB ILE 31 HB ILE 31 -4.302 2.155 4.827 260 1HG1 ILE 31 2HG1 ILE 31 -1.275 2.054 4.899 261 2HG1 ILE 31 1HG1 ILE 31 -2.193 3.084 3.801 262 1HG2 ILE 31 1HG2 ILE 31 -2.432 0.095 6.029 263 2HG2 ILE 31 2HG2 ILE 31 -4.169 0.253 6.289 264 3HG2 ILE 31 3HG2 ILE 31 -3.067 1.462 6.942 265 1HD1 ILE 31 1HD1 ILE 31 -2.537 4.595 5.446 266 2HD1 ILE 31 2HD1 ILE 31 -1.525 3.624 6.513 267 3HD1 ILE 31 3HD1 ILE 31 -3.266 3.359 6.461 268 H ASN 32 H ASN 32 -5.624 1.356 2.858 269 HA ASN 32 HA ASN 32 -7.249 -0.489 4.278 270 1HB ASN 32 2HB ASN 32 -7.625 1.508 2.086 271 2HB ASN 32 1HB ASN 32 -8.927 0.372 2.423 272 1HD2 ASN 32 1HD2 ASN 32 -7.637 3.374 3.319 273 2HD2 ASN 32 2HD2 ASN 32 -8.422 3.546 4.814 274 H SER 33 H SER 33 -5.920 -0.506 0.988 275 HA SER 33 HA SER 33 -7.423 -2.742 0.107 276 1HB SER 33 2HB SER 33 -4.727 -1.811 -0.870 277 2HB SER 33 1HB SER 33 -5.895 -2.801 -1.741 278 HG SER 33 HG SER 33 -6.344 -0.159 -0.800 279 H LEU 34 H LEU 34 -4.343 -2.367 1.782 280 HA LEU 34 HA LEU 34 -3.355 -5.006 1.477 281 1HB LEU 34 2HB LEU 34 -2.936 -3.641 4.116 282 2HB LEU 34 1HB LEU 34 -1.824 -4.614 3.165 283 HG LEU 34 HG LEU 34 -2.665 -1.775 2.634 284 1HD1 LEU 34 1HD1 LEU 34 -0.158 -3.109 3.593 285 2HD1 LEU 34 2HD1 LEU 34 -0.983 -1.695 4.247 286 3HD1 LEU 34 3HD1 LEU 34 -0.072 -1.569 2.740 287 1HD2 LEU 34 1HD2 LEU 34 -1.426 -3.820 0.886 288 2HD2 LEU 34 2HD2 LEU 34 -0.660 -2.232 0.878 289 3HD2 LEU 34 3HD2 LEU 34 -2.363 -2.394 0.451 290 H ARG 35 H ARG 35 -5.406 -3.632 4.035 291 HA ARG 35 HA ARG 35 -5.653 -6.123 5.432 292 1HB ARG 35 2HB ARG 35 -7.351 -4.993 6.783 293 2HB ARG 35 1HB ARG 35 -5.913 -4.003 6.586 294 1HG ARG 35 2HG ARG 35 -7.012 -2.728 4.797 295 2HG ARG 35 1HG ARG 35 -8.468 -3.705 4.987 296 1HD ARG 35 2HD ARG 35 -8.580 -2.937 7.379 297 2HD ARG 35 1HD ARG 35 -7.225 -1.861 7.050 298 HE ARG 35 HE ARG 35 -8.829 -0.406 6.250 299 1HH1 ARG 35 1HH2 ARG 35 -10.835 -2.865 6.843 300 2HH1 ARG 35 2HH2 ARG 35 -11.780 -2.772 5.396 301 1HH2 ARG 35 1HH1 ARG 35 -9.590 -0.627 3.796 302 2HH2 ARG 35 2HH1 ARG 35 -11.074 -1.508 3.671 303 H ASP 36 H ASP 36 -7.478 -4.467 2.966 304 HA ASP 36 HA ASP 36 -9.768 -6.160 3.005 305 1HB ASP 36 2HB ASP 36 -8.564 -4.359 0.877 306 2HB ASP 36 1HB ASP 36 -10.078 -5.234 0.656 307 H ASP 37 H ASP 37 -6.535 -6.414 1.946 308 HA ASP 37 HA ASP 37 -6.760 -9.166 1.256 309 1HB ASP 37 2HB ASP 37 -7.802 -7.974 -0.761 310 2HB ASP 37 1HB ASP 37 -6.183 -7.398 -1.116 311 HA PRO 38 HA PRO 38 -2.517 -7.820 2.366 312 1HB PRO 38 2HB PRO 38 -2.070 -10.452 3.458 313 2HB PRO 38 1HB PRO 38 -2.221 -8.913 4.317 314 1HG PRO 38 2HG PRO 38 -4.040 -11.006 4.358 315 2HG PRO 38 1HG PRO 38 -4.319 -9.351 4.904 316 1HD PRO 38 2HD PRO 38 -5.270 -10.685 2.445 317 2HD PRO 38 1HD PRO 38 -5.930 -9.269 3.293 318 H SER 39 H SER 39 -3.584 -10.829 0.858 319 HA SER 39 HA SER 39 -1.111 -11.691 -0.191 320 1HB SER 39 2HB SER 39 -3.852 -12.072 -1.430 321 2HB SER 39 1HB SER 39 -2.420 -13.056 -1.709 322 HG SER 39 HG SER 39 -2.745 -12.986 0.883 323 H GLN 40 H GLN 40 -3.458 -9.308 -1.145 324 HA GLN 40 HA GLN 40 -2.147 -8.802 -3.682 325 1HB GLN 40 2HB GLN 40 -4.582 -7.607 -2.368 326 2HB GLN 40 1HB GLN 40 -3.930 -7.017 -3.894 327 1HG GLN 40 2HG GLN 40 -4.676 -9.914 -3.426 328 2HG GLN 40 1HG GLN 40 -5.785 -8.734 -4.120 329 1HE2 GLN 40 1HE2 GLN 40 -3.501 -11.058 -4.964 330 2HE2 GLN 40 2HE2 GLN 40 -3.124 -10.493 -6.520 331 H SER 41 H SER 41 -1.419 -8.000 -0.581 332 HA SER 41 HA SER 41 -0.989 -5.219 -0.564 333 1HB SER 41 2HB SER 41 0.570 -5.604 1.214 334 2HB SER 41 1HB SER 41 -0.586 -6.911 1.374 335 HG SER 41 HG SER 41 0.850 -8.302 0.520 336 H ALA 42 H ALA 42 0.688 -7.887 -2.003 337 HA ALA 42 HA ALA 42 3.065 -6.670 -2.859 338 1HB ALA 42 1HB ALA 42 2.540 -9.128 -2.796 339 2HB ALA 42 2HB ALA 42 3.257 -8.583 -4.315 340 3HB ALA 42 3HB ALA 42 1.514 -8.871 -4.213 341 H ASN 43 H ASN 43 -0.063 -7.111 -4.361 342 HA ASN 43 HA ASN 43 0.548 -6.020 -6.923 343 1HB ASN 43 2HB ASN 43 -1.919 -6.619 -5.344 344 2HB ASN 43 1HB ASN 43 -1.991 -5.951 -6.973 345 1HD2 ASN 43 1HD2 ASN 43 -0.882 -8.791 -5.108 346 2HD2 ASN 43 2HD2 ASN 43 -0.830 -9.849 -6.433 347 H LEU 44 H LEU 44 -0.823 -4.899 -3.954 348 HA LEU 44 HA LEU 44 -1.923 -2.510 -4.861 349 1HB LEU 44 2HB LEU 44 -1.072 -3.463 -2.174 350 2HB LEU 44 1HB LEU 44 -1.950 -1.963 -2.409 351 HG LEU 44 HG LEU 44 -2.911 -4.534 -3.639 352 1HD1 LEU 44 1HD1 LEU 44 -2.924 -5.148 -1.367 353 2HD1 LEU 44 2HD1 LEU 44 -4.558 -4.592 -1.692 354 3HD1 LEU 44 3HD1 LEU 44 -3.423 -3.544 -0.846 355 1HD2 LEU 44 1HD2 LEU 44 -5.054 -3.313 -3.587 356 2HD2 LEU 44 2HD2 LEU 44 -3.804 -2.493 -4.527 357 3HD2 LEU 44 3HD2 LEU 44 -4.208 -1.923 -2.899 358 H LEU 45 H LEU 45 1.305 -3.075 -3.462 359 HA LEU 45 HA LEU 45 1.862 -0.249 -3.639 360 1HB LEU 45 2HB LEU 45 4.376 -1.555 -3.995 361 2HB LEU 45 1HB LEU 45 3.837 -0.574 -2.652 362 HG LEU 45 HG LEU 45 4.613 -2.689 -1.860 363 1HD1 LEU 45 1HD1 LEU 45 2.581 -3.487 -0.700 364 2HD1 LEU 45 2HD1 LEU 45 1.610 -2.464 -1.744 365 3HD1 LEU 45 3HD1 LEU 45 2.775 -1.744 -0.654 366 1HD2 LEU 45 1HD2 LEU 45 4.009 -4.745 -2.733 367 2HD2 LEU 45 2HD2 LEU 45 4.044 -3.724 -4.175 368 3HD2 LEU 45 3HD2 LEU 45 2.516 -4.127 -3.419 369 H ALA 46 H ALA 46 1.979 -3.029 -5.650 370 HA ALA 46 HA ALA 46 3.532 -2.054 -7.797 371 1HB ALA 46 1HB ALA 46 2.817 -3.933 -8.888 372 2HB ALA 46 2HB ALA 46 1.124 -3.626 -8.486 373 3HB ALA 46 3HB ALA 46 2.192 -4.382 -7.302 374 H GLU 47 H GLU 47 0.150 -1.822 -6.881 375 HA GLU 47 HA GLU 47 -0.707 -0.274 -9.122 376 1HB GLU 47 2HB GLU 47 -1.773 -1.368 -6.612 377 2HB GLU 47 1HB GLU 47 -2.400 0.243 -6.976 378 1HG GLU 47 2HG GLU 47 -2.656 -2.271 -8.620 379 2HG GLU 47 1HG GLU 47 -3.924 -1.200 -8.031 380 H ALA 48 H ALA 48 0.115 0.304 -5.801 381 HA ALA 48 HA ALA 48 -0.294 3.050 -5.616 382 1HB ALA 48 1HB ALA 48 1.936 1.684 -4.180 383 2HB ALA 48 2HB ALA 48 0.267 1.269 -3.813 384 3HB ALA 48 3HB ALA 48 0.828 2.922 -3.592 385 H LYS 49 H LYS 49 2.601 1.223 -6.441 386 HA LYS 49 HA LYS 49 4.290 3.472 -6.869 387 1HB LYS 49 2HB LYS 49 4.367 0.628 -7.920 388 2HB LYS 49 1HB LYS 49 5.619 1.817 -8.282 389 1HG LYS 49 2HG LYS 49 6.109 2.106 -5.912 390 2HG LYS 49 1HG LYS 49 4.776 1.051 -5.462 391 1HD LYS 49 2HD LYS 49 5.927 -0.806 -6.742 392 2HD LYS 49 1HD LYS 49 7.309 0.273 -6.938 393 1HE LYS 49 2HE LYS 49 7.493 0.474 -4.472 394 2HE LYS 49 1HE LYS 49 6.127 -0.625 -4.287 395 1HZ LYS 49 1HZ LYS 49 8.757 -1.241 -5.511 396 2HZ LYS 49 2HZ LYS 49 7.422 -2.293 -5.543 397 3HZ LYS 49 3HZ LYS 49 8.133 -1.862 -4.061 398 H LYS 50 H LYS 50 1.942 1.716 -8.819 399 HA LYS 50 HA LYS 50 2.515 3.055 -11.296 400 1HB LYS 50 2HB LYS 50 0.749 0.982 -10.383 401 2HB LYS 50 1HB LYS 50 -0.219 2.204 -11.192 402 1HG LYS 50 2HG LYS 50 0.431 1.353 -13.173 403 2HG LYS 50 1HG LYS 50 2.080 1.846 -12.816 404 1HD LYS 50 2HD LYS 50 2.089 -0.531 -13.298 405 2HD LYS 50 1HD LYS 50 2.412 -0.315 -11.581 406 1HE LYS 50 2HE LYS 50 0.731 -2.143 -12.157 407 2HE LYS 50 1HE LYS 50 0.172 -0.952 -10.988 408 1HZ LYS 50 1HZ LYS 50 -0.340 -0.585 -13.868 409 2HZ LYS 50 2HZ LYS 50 -1.177 0.069 -12.543 410 3HZ LYS 50 3HZ LYS 50 -1.352 -1.575 -12.933 411 H LEU 51 H LEU 51 0.363 3.530 -8.572 412 HA LEU 51 HA LEU 51 -1.224 5.662 -9.572 413 1HB LEU 51 2HB LEU 51 -0.588 4.441 -6.947 414 2HB LEU 51 1HB LEU 51 -1.188 6.070 -6.929 415 HG LEU 51 HG LEU 51 -2.936 4.332 -6.648 416 1HD1 LEU 51 1HD1 LEU 51 -3.950 6.268 -7.223 417 2HD1 LEU 51 2HD1 LEU 51 -4.314 5.375 -8.709 418 3HD1 LEU 51 3HD1 LEU 51 -2.949 6.495 -8.662 419 1HD2 LEU 51 1HD2 LEU 51 -2.529 2.498 -7.995 420 2HD2 LEU 51 2HD2 LEU 51 -1.889 3.481 -9.316 421 3HD2 LEU 51 3HD2 LEU 51 -3.628 3.382 -9.059 422 H ASN 52 H ASN 52 1.660 5.417 -7.616 423 HA ASN 52 HA ASN 52 2.084 8.107 -7.016 424 1HB ASN 52 2HB ASN 52 3.154 6.289 -5.820 425 2HB ASN 52 1HB ASN 52 3.960 5.742 -7.285 426 1HD2 ASN 52 1HD2 ASN 52 5.751 7.110 -8.113 427 2HD2 ASN 52 2HD2 ASN 52 6.532 8.202 -7.070 428 H ASP 53 H ASP 53 3.319 6.020 -9.552 429 HA ASP 53 HA ASP 53 4.794 8.016 -10.881 430 1HB ASP 53 2HB ASP 53 3.777 5.325 -11.780 431 2HB ASP 53 1HB ASP 53 4.901 6.314 -12.709 432 H ALA 54 H ALA 54 1.542 6.722 -11.212 433 HA ALA 54 HA ALA 54 0.934 7.932 -13.733 434 1HB ALA 54 1HB ALA 54 -0.251 5.991 -12.948 435 2HB ALA 54 2HB ALA 54 -1.390 7.327 -13.121 436 3HB ALA 54 3HB ALA 54 -0.796 6.878 -11.520 437 H GLN 55 H GLN 55 0.168 8.878 -10.377 438 HA GLN 55 HA GLN 55 -1.517 11.048 -11.236 439 1HB GLN 55 2HB GLN 55 -0.329 10.315 -8.564 440 2HB GLN 55 1HB GLN 55 -1.494 11.617 -8.816 441 1HG GLN 55 2HG GLN 55 -3.174 10.081 -9.577 442 2HG GLN 55 1HG GLN 55 -2.017 8.752 -9.640 443 1HE2 GLN 55 1HE2 GLN 55 -1.326 10.675 -6.936 444 2HE2 GLN 55 2HE2 GLN 55 -2.147 9.722 -5.787 445 H ALA 56 H ALA 56 1.640 10.774 -9.703 446 HA ALA 56 HA ALA 56 3.244 12.426 -9.243 447 1HB ALA 56 1HB ALA 56 4.163 13.372 -11.267 448 2HB ALA 56 2HB ALA 56 2.639 13.133 -12.126 449 3HB ALA 56 3HB ALA 56 3.601 11.740 -11.632 450 HA PRO 57 HA PRO 57 -0.478 15.259 -8.378 451 1HB PRO 57 2HB PRO 57 1.034 16.090 -6.049 452 2HB PRO 57 1HB PRO 57 -0.474 15.157 -6.127 453 1HG PRO 57 2HG PRO 57 2.297 14.226 -5.859 454 2HG PRO 57 1HG PRO 57 0.780 13.436 -5.395 455 1HD PRO 57 2HD PRO 57 2.221 12.577 -7.496 456 2HD PRO 57 1HD PRO 57 0.448 12.526 -7.530 457 H LYS 58 H LYS 58 -0.208 16.739 -9.967 458 HA LYS 58 HA LYS 58 2.093 18.457 -10.198 459 1HB LYS 58 2HB LYS 58 -0.611 18.596 -11.565 460 2HB LYS 58 1HB LYS 58 0.824 19.511 -12.028 461 1HG LYS 58 2HG LYS 58 2.034 17.346 -12.381 462 2HG LYS 58 1HG LYS 58 0.528 16.491 -12.047 463 1HD LYS 58 2HD LYS 58 -0.542 17.788 -13.927 464 2HD LYS 58 1HD LYS 58 1.056 18.424 -14.322 465 1HE LYS 58 2HE LYS 58 0.229 15.503 -14.321 466 2HE LYS 58 1HE LYS 58 0.599 16.488 -15.736 467 1HZ LYS 58 1HZ LYS 58 2.539 15.283 -15.283 468 2HZ LYS 58 2HZ LYS 58 2.445 15.570 -13.611 469 3HZ LYS 58 3HZ LYS 58 2.849 16.835 -14.671 Start of MODEL 18 1 1H VAL 1 1HT VAL 1 -4.888 -18.299 16.089 2 2H VAL 1 2HT VAL 1 -5.907 -19.509 15.468 3 3H VAL 1 3HT VAL 1 -6.323 -17.871 15.293 4 HA VAL 1 HA VAL 1 -4.125 -19.341 13.960 5 HB VAL 1 HB VAL 1 -6.459 -17.711 12.889 6 1HG1 VAL 1 1HG1 VAL 1 -4.627 -17.617 11.331 7 2HG1 VAL 1 2HG1 VAL 1 -5.750 -18.828 10.718 8 3HG1 VAL 1 3HG1 VAL 1 -4.276 -19.332 11.544 9 1HG2 VAL 1 1HG2 VAL 1 -7.271 -19.964 12.101 10 2HG2 VAL 1 2HG2 VAL 1 -7.282 -19.786 13.855 11 3HG2 VAL 1 3HG2 VAL 1 -5.999 -20.709 13.069 12 H ASP 2 H ASP 2 -2.396 -18.195 13.278 13 HA ASP 2 HA ASP 2 -1.941 -15.560 14.304 14 1HB ASP 2 2HB ASP 2 0.245 -15.761 13.373 15 2HB ASP 2 1HB ASP 2 -0.190 -17.366 13.953 16 H ASN 3 H ASN 3 -1.714 -13.622 13.182 17 HA ASN 3 HA ASN 3 -3.068 -13.525 10.553 18 1HB ASN 3 2HB ASN 3 -2.622 -11.295 12.551 19 2HB ASN 3 1HB ASN 3 -3.565 -11.199 11.067 20 1HD2 ASN 3 1HD2 ASN 3 -5.009 -13.638 11.194 21 2HD2 ASN 3 2HD2 ASN 3 -6.024 -13.609 12.553 22 H LYS 4 H LYS 4 -1.518 -13.693 9.032 23 HA LYS 4 HA LYS 4 1.073 -12.490 9.332 24 1HB LYS 4 2HB LYS 4 -0.190 -13.714 6.876 25 2HB LYS 4 1HB LYS 4 1.531 -13.430 7.140 26 1HG LYS 4 2HG LYS 4 1.504 -14.964 9.068 27 2HG LYS 4 1HG LYS 4 -0.217 -15.256 8.815 28 1HD LYS 4 2HD LYS 4 0.331 -16.098 6.511 29 2HD LYS 4 1HD LYS 4 2.042 -15.955 6.922 30 1HE LYS 4 2HE LYS 4 1.384 -18.236 7.368 31 2HE LYS 4 1HE LYS 4 1.595 -17.429 8.921 32 1HZ LYS 4 1HZ LYS 4 -0.530 -17.725 9.419 33 2HZ LYS 4 2HZ LYS 4 -0.638 -18.764 8.078 34 3HZ LYS 4 3HZ LYS 4 -1.055 -17.125 7.921 35 H PHE 5 H PHE 5 -1.772 -11.125 8.826 36 HA PHE 5 HA PHE 5 -1.625 -9.523 6.552 37 1HB PHE 5 2HB PHE 5 -2.880 -9.217 9.260 38 2HB PHE 5 1HB PHE 5 -2.903 -7.883 8.118 39 HD1 PHE 5 1HD PHE 5 -3.200 -11.588 7.548 40 HD2 PHE 5 2HD PHE 5 -5.078 -7.715 7.343 41 HE1 PHE 5 1HE PHE 5 -5.182 -12.581 6.402 42 HE2 PHE 5 2HE PHE 5 -7.033 -8.709 6.208 43 HZ PHE 5 HZ PHE 5 -7.085 -11.124 5.731 44 H ASN 6 H ASN 6 -0.759 -8.624 9.898 45 HA ASN 6 HA ASN 6 0.168 -6.075 9.371 46 1HB ASN 6 2HB ASN 6 1.186 -8.001 11.455 47 2HB ASN 6 1HB ASN 6 1.420 -6.256 11.466 48 1HD2 ASN 6 1HD2 ASN 6 -0.283 -8.313 13.177 49 2HD2 ASN 6 2HD2 ASN 6 -1.780 -7.523 13.302 50 H LYS 7 H LYS 7 2.051 -9.093 9.455 51 HA LYS 7 HA LYS 7 4.573 -7.989 8.914 52 1HB LYS 7 2HB LYS 7 4.105 -10.275 9.712 53 2HB LYS 7 1HB LYS 7 3.488 -10.686 8.120 54 1HG LYS 7 2HG LYS 7 6.254 -9.523 8.404 55 2HG LYS 7 1HG LYS 7 5.993 -11.232 8.739 56 1HD LYS 7 2HD LYS 7 5.313 -9.813 6.154 57 2HD LYS 7 1HD LYS 7 6.674 -10.889 6.398 58 1HE LYS 7 2HE LYS 7 5.328 -12.582 5.744 59 2HE LYS 7 1HE LYS 7 4.448 -12.371 7.257 60 1HZ LYS 7 1HZ LYS 7 2.868 -11.027 6.243 61 2HZ LYS 7 2HZ LYS 7 3.153 -12.225 5.072 62 3HZ LYS 7 3HZ LYS 7 3.854 -10.686 4.906 63 H GLU 8 H GLU 8 2.029 -9.162 6.751 64 HA GLU 8 HA GLU 8 3.469 -8.687 4.315 65 1HB GLU 8 2HB GLU 8 1.401 -10.194 4.838 66 2HB GLU 8 1HB GLU 8 0.462 -8.722 4.628 67 1HG GLU 8 2HG GLU 8 0.578 -8.918 2.414 68 2HG GLU 8 1HG GLU 8 2.337 -8.962 2.455 69 H ARG 9 H ARG 9 1.311 -6.883 6.349 70 HA ARG 9 HA ARG 9 0.901 -4.690 4.614 71 1HB ARG 9 2HB ARG 9 0.267 -5.212 7.504 72 2HB ARG 9 1HB ARG 9 -0.066 -3.657 6.740 73 1HG ARG 9 2HG ARG 9 -1.543 -4.619 5.172 74 2HG ARG 9 1HG ARG 9 -0.993 -6.251 5.490 75 1HD ARG 9 2HD ARG 9 -3.118 -6.032 6.545 76 2HD ARG 9 1HD ARG 9 -1.921 -5.970 7.837 77 HE ARG 9 HE ARG 9 -2.845 -3.413 6.725 78 1HH1 ARG 9 1HH1 ARG 9 -1.434 -3.965 9.426 79 2HH1 ARG 9 2HH1 ARG 9 -2.741 -3.692 10.529 80 1HH2 ARG 9 1HH2 ARG 9 -5.185 -3.842 8.080 81 2HH2 ARG 9 2HH2 ARG 9 -4.864 -3.622 9.767 82 H VAL 10 H VAL 10 3.226 -5.372 7.175 83 HA VAL 10 HA VAL 10 4.107 -2.729 7.642 84 HB VAL 10 HB VAL 10 5.918 -5.157 7.670 85 1HG1 VAL 10 1HG1 VAL 10 6.078 -2.731 9.460 86 2HG1 VAL 10 2HG1 VAL 10 6.780 -2.698 7.840 87 3HG1 VAL 10 3HG1 VAL 10 7.350 -3.873 9.032 88 1HG2 VAL 10 1HG2 VAL 10 3.691 -4.492 9.466 89 2HG2 VAL 10 2HG2 VAL 10 5.226 -4.708 10.303 90 3HG2 VAL 10 3HG2 VAL 10 4.595 -6.001 9.281 91 H ILE 11 H ILE 11 5.165 -5.293 5.596 92 HA ILE 11 HA ILE 11 7.278 -4.062 4.277 93 HB ILE 11 HB ILE 11 5.328 -6.198 3.383 94 1HG1 ILE 11 2HG1 ILE 11 8.083 -6.552 4.602 95 2HG1 ILE 11 1HG1 ILE 11 6.603 -6.571 5.569 96 1HG2 ILE 11 1HG2 ILE 11 8.140 -5.697 2.390 97 2HG2 ILE 11 2HG2 ILE 11 6.686 -5.160 1.542 98 3HG2 ILE 11 3HG2 ILE 11 6.980 -6.889 1.794 99 1HD1 ILE 11 1HD1 ILE 11 5.768 -8.497 4.425 100 2HD1 ILE 11 2HD1 ILE 11 7.462 -8.853 4.768 101 3HD1 ILE 11 3HD1 ILE 11 6.978 -8.354 3.145 102 H ALA 12 H ALA 12 3.902 -4.473 3.444 103 HA ALA 12 HA ALA 12 3.965 -3.055 0.998 104 1HB ALA 12 1HB ALA 12 1.916 -4.178 2.838 105 2HB ALA 12 2HB ALA 12 2.320 -4.617 1.167 106 3HB ALA 12 3HB ALA 12 1.416 -3.138 1.491 107 H ILE 13 H ILE 13 2.705 -2.125 4.229 108 HA ILE 13 HA ILE 13 1.765 0.408 3.446 109 HB ILE 13 HB ILE 13 1.242 -0.777 5.632 110 1HG1 ILE 13 2HG1 ILE 13 1.909 2.062 5.212 111 2HG1 ILE 13 1HG1 ILE 13 0.431 1.343 5.827 112 1HG2 ILE 13 1HG2 ILE 13 3.760 -1.247 6.030 113 2HG2 ILE 13 2HG2 ILE 13 2.794 -0.794 7.419 114 3HG2 ILE 13 3HG2 ILE 13 3.844 0.391 6.645 115 1HD1 ILE 13 1HD1 ILE 13 1.670 0.928 7.996 116 2HD1 ILE 13 2HD1 ILE 13 1.387 2.629 7.616 117 3HD1 ILE 13 3HD1 ILE 13 2.981 1.914 7.343 118 H GLY 14 H GLY 14 4.827 -0.842 4.512 119 1HA GLY 14 2HA GLY 14 6.206 1.586 4.775 120 2HA GLY 14 1HA GLY 14 6.939 -0.015 4.569 121 H GLU 15 H GLU 15 5.607 -0.691 2.089 122 HA GLU 15 HA GLU 15 7.365 0.571 0.224 123 1HB GLU 15 2HB GLU 15 4.922 -1.179 -0.131 124 2HB GLU 15 1HB GLU 15 5.923 -0.638 -1.472 125 1HG GLU 15 2HG GLU 15 7.555 -1.824 0.622 126 2HG GLU 15 1HG GLU 15 6.277 -2.936 0.106 127 H ILE 16 H ILE 16 3.886 0.687 0.815 128 HA ILE 16 HA ILE 16 3.337 2.547 -1.197 129 HB ILE 16 HB ILE 16 1.767 1.333 1.018 130 1HG1 ILE 16 2HG1 ILE 16 1.424 1.320 -1.979 131 2HG1 ILE 16 1HG1 ILE 16 2.511 0.220 -1.156 132 1HG2 ILE 16 1HG2 ILE 16 0.214 2.877 -0.989 133 2HG2 ILE 16 2HG2 ILE 16 1.078 3.876 0.180 134 3HG2 ILE 16 3HG2 ILE 16 -0.062 2.661 0.748 135 1HD1 ILE 16 1HD1 ILE 16 0.768 -1.134 -0.803 136 2HD1 ILE 16 2HD1 ILE 16 -0.327 0.064 -1.484 137 3HD1 ILE 16 3HD1 ILE 16 0.070 0.101 0.240 138 H MET 17 H MET 17 3.858 2.928 2.257 139 HA MET 17 HA MET 17 3.073 5.650 2.406 140 1HB MET 17 2HB MET 17 4.824 3.909 4.156 141 2HB MET 17 1HB MET 17 4.501 5.608 4.533 142 1HG MET 17 2HG MET 17 2.317 3.566 4.033 143 2HG MET 17 1HG MET 17 2.915 3.962 5.640 144 1HE MET 17 1HE MET 17 -0.750 5.470 4.836 145 2HE MET 17 2HE MET 17 0.114 4.052 5.432 146 3HE MET 17 3HE MET 17 -0.026 4.320 3.699 147 H ARG 18 H ARG 18 5.863 4.109 1.118 148 HA ARG 18 HA ARG 18 7.754 6.235 1.392 149 1HB ARG 18 2HB ARG 18 8.461 3.932 0.972 150 2HB ARG 18 1HB ARG 18 7.592 3.922 -0.557 151 1HG ARG 18 2HG ARG 18 9.043 5.771 -1.373 152 2HG ARG 18 1HG ARG 18 9.957 5.689 0.137 153 1HD ARG 18 2HD ARG 18 10.472 3.299 -0.358 154 2HD ARG 18 1HD ARG 18 9.633 3.464 -1.898 155 HE ARG 18 HE ARG 18 12.279 4.439 -1.264 156 1HH1 ARG 18 1HH2 ARG 18 10.789 6.865 -2.237 157 2HH1 ARG 18 2HH2 ARG 18 11.044 6.790 -3.948 158 1HH2 ARG 18 1HH1 ARG 18 12.039 3.473 -3.917 159 2HH2 ARG 18 2HH1 ARG 18 11.751 4.869 -4.899 160 H LEU 19 H LEU 19 5.330 5.327 -0.956 161 HA LEU 19 HA LEU 19 5.928 6.689 -3.205 162 1HB LEU 19 2HB LEU 19 3.189 6.548 -1.951 163 2HB LEU 19 1HB LEU 19 3.565 6.710 -3.670 164 HG LEU 19 HG LEU 19 4.419 4.367 -1.935 165 1HD1 LEU 19 1HD1 LEU 19 2.373 4.287 -4.142 166 2HD1 LEU 19 2HD1 LEU 19 1.926 4.533 -2.453 167 3HD1 LEU 19 3HD1 LEU 19 2.741 3.049 -2.937 168 1HD2 LEU 19 1HD2 LEU 19 5.992 4.278 -3.542 169 2HD2 LEU 19 2HD2 LEU 19 5.061 5.278 -4.669 170 3HD2 LEU 19 3HD2 LEU 19 4.695 3.554 -4.499 171 HA PRO 20 HA PRO 20 6.186 10.878 -1.522 172 1HB PRO 20 2HB PRO 20 7.407 11.731 -3.978 173 2HB PRO 20 1HB PRO 20 8.177 11.450 -2.411 174 1HG PRO 20 2HG PRO 20 8.496 9.935 -4.730 175 2HG PRO 20 1HG PRO 20 9.027 9.499 -3.095 176 1HD PRO 20 2HD PRO 20 6.728 8.493 -4.651 177 2HD PRO 20 1HD PRO 20 7.584 7.753 -3.283 178 H ASN 21 H ASN 21 4.523 9.823 -4.411 179 HA ASN 21 HA ASN 21 3.617 12.573 -4.977 180 1HB ASN 21 2HB ASN 21 2.917 10.033 -6.482 181 2HB ASN 21 1HB ASN 21 2.637 11.685 -6.996 182 1HD2 ASN 21 1HD2 ASN 21 4.466 9.508 -8.154 183 2HD2 ASN 21 2HD2 ASN 21 5.985 10.258 -8.261 184 H LEU 22 H LEU 22 1.957 9.459 -4.670 185 HA LEU 22 HA LEU 22 -0.624 10.045 -4.490 186 1HB LEU 22 2HB LEU 22 0.902 8.298 -2.567 187 2HB LEU 22 1HB LEU 22 -0.858 8.282 -2.738 188 HG LEU 22 HG LEU 22 0.884 7.973 -5.164 189 1HD1 LEU 22 1HD1 LEU 22 0.921 5.582 -4.831 190 2HD1 LEU 22 2HD1 LEU 22 0.000 5.735 -3.333 191 3HD1 LEU 22 3HD1 LEU 22 1.643 6.366 -3.431 192 1HD2 LEU 22 1HD2 LEU 22 -1.889 8.020 -4.589 193 2HD2 LEU 22 2HD2 LEU 22 -1.479 6.347 -4.976 194 3HD2 LEU 22 3HD2 LEU 22 -1.111 7.639 -6.127 195 H ASN 23 H ASN 23 -2.164 10.707 -3.083 196 HA ASN 23 HA ASN 23 -1.300 12.583 -1.005 197 1HB ASN 23 2HB ASN 23 -3.849 12.870 -0.782 198 2HB ASN 23 1HB ASN 23 -3.123 13.414 -2.292 199 1HD2 ASN 23 1HD2 ASN 23 -3.903 12.467 -4.213 200 2HD2 ASN 23 2HD2 ASN 23 -4.964 11.143 -4.256 201 H SER 24 H SER 24 -2.195 12.330 1.188 202 HA SER 24 HA SER 24 -1.551 9.898 2.292 203 1HB SER 24 2HB SER 24 -2.850 10.565 4.266 204 2HB SER 24 1HB SER 24 -1.776 11.836 3.674 205 HG SER 24 HG SER 24 -4.571 11.573 3.210 206 H LEU 25 H LEU 25 -4.682 10.918 1.029 207 HA LEU 25 HA LEU 25 -6.207 8.790 2.085 208 1HB LEU 25 2HB LEU 25 -6.638 10.184 -0.554 209 2HB LEU 25 1HB LEU 25 -7.830 9.332 0.410 210 HG LEU 25 HG LEU 25 -7.224 11.056 2.274 211 1HD1 LEU 25 1HD1 LEU 25 -5.529 12.448 1.614 212 2HD1 LEU 25 2HD1 LEU 25 -6.811 13.291 0.748 213 3HD1 LEU 25 3HD1 LEU 25 -5.796 12.125 -0.097 214 1HD2 LEU 25 1HD2 LEU 25 -8.762 12.741 0.964 215 2HD2 LEU 25 2HD2 LEU 25 -9.389 11.148 1.401 216 3HD2 LEU 25 3HD2 LEU 25 -8.806 11.451 -0.239 217 H GLN 26 H GLN 26 -4.569 9.160 -1.056 218 HA GLN 26 HA GLN 26 -5.266 6.604 -1.994 219 1HB GLN 26 2HB GLN 26 -3.075 8.488 -2.680 220 2HB GLN 26 1HB GLN 26 -3.211 6.921 -3.443 221 1HG GLN 26 2HG GLN 26 -5.490 8.900 -3.321 222 2HG GLN 26 1HG GLN 26 -4.355 8.837 -4.678 223 1HE2 GLN 26 1HE2 GLN 26 -4.105 6.452 -5.600 224 2HE2 GLN 26 2HE2 GLN 26 -5.553 5.583 -5.768 225 H VAL 27 H VAL 27 -2.507 7.921 -0.338 226 HA VAL 27 HA VAL 27 -0.865 5.677 -0.203 227 HB VAL 27 HB VAL 27 -1.318 8.108 1.526 228 1HG1 VAL 27 1HG1 VAL 27 0.310 5.739 2.186 229 2HG1 VAL 27 2HG1 VAL 27 -0.397 6.978 3.236 230 3HG1 VAL 27 3HG1 VAL 27 1.104 7.304 2.369 231 1HG2 VAL 27 1HG2 VAL 27 0.741 7.223 -0.488 232 2HG2 VAL 27 2HG2 VAL 27 1.115 8.484 0.685 233 3HG2 VAL 27 3HG2 VAL 27 -0.207 8.709 -0.460 234 H VAL 28 H VAL 28 -3.455 6.868 1.813 235 HA VAL 28 HA VAL 28 -3.367 4.699 3.676 236 HB VAL 28 HB VAL 28 -5.465 6.812 3.309 237 1HG1 VAL 28 1HG1 VAL 28 -4.897 4.808 5.531 238 2HG1 VAL 28 2HG1 VAL 28 -6.298 4.744 4.446 239 3HG1 VAL 28 3HG1 VAL 28 -6.128 6.074 5.601 240 1HG2 VAL 28 1HG2 VAL 28 -4.136 8.107 4.655 241 2HG2 VAL 28 2HG2 VAL 28 -2.837 7.043 4.093 242 3HG2 VAL 28 3HG2 VAL 28 -3.635 6.725 5.636 243 H ALA 29 H ALA 29 -5.107 5.450 0.820 244 HA ALA 29 HA ALA 29 -7.222 3.659 0.851 245 1HB ALA 29 1HB ALA 29 -6.527 5.441 -0.897 246 2HB ALA 29 2HB ALA 29 -7.239 3.938 -1.489 247 3HB ALA 29 3HB ALA 29 -5.488 4.175 -1.564 248 H PHE 30 H PHE 30 -3.844 3.349 0.110 249 HA PHE 30 HA PHE 30 -3.976 0.676 -0.755 250 1HB PHE 30 2HB PHE 30 -1.848 2.615 -0.013 251 2HB PHE 30 1HB PHE 30 -1.482 0.923 -0.245 252 HD1 PHE 30 1HD PHE 30 -2.504 -0.205 -2.368 253 HD2 PHE 30 2HD PHE 30 -1.922 3.990 -1.852 254 HE1 PHE 30 1HE PHE 30 -2.656 0.116 -4.803 255 HE2 PHE 30 2HE PHE 30 -2.146 4.342 -4.242 256 HZ PHE 30 HZ PHE 30 -2.504 2.394 -5.773 257 H ILE 31 H ILE 31 -3.278 2.384 2.315 258 HA ILE 31 HA ILE 31 -2.373 0.117 3.746 259 HB ILE 31 HB ILE 31 -4.237 2.258 4.838 260 1HG1 ILE 31 2HG1 ILE 31 -1.215 2.172 4.985 261 2HG1 ILE 31 1HG1 ILE 31 -2.111 3.181 3.854 262 1HG2 ILE 31 1HG2 ILE 31 -4.144 0.383 6.342 263 2HG2 ILE 31 2HG2 ILE 31 -3.076 1.621 7.006 264 3HG2 ILE 31 3HG2 ILE 31 -2.395 0.239 6.149 265 1HD1 ILE 31 1HD1 ILE 31 -1.511 3.741 6.588 266 2HD1 ILE 31 2HD1 ILE 31 -3.255 3.514 6.467 267 3HD1 ILE 31 3HD1 ILE 31 -2.456 4.721 5.471 268 H ASN 32 H ASN 32 -5.506 1.380 2.882 269 HA ASN 32 HA ASN 32 -7.107 -0.489 4.303 270 1HB ASN 32 2HB ASN 32 -7.491 1.525 2.132 271 2HB ASN 32 1HB ASN 32 -8.773 0.348 2.409 272 1HD2 ASN 32 1HD2 ASN 32 -6.587 1.997 4.757 273 2HD2 ASN 32 2HD2 ASN 32 -7.844 2.696 5.657 274 H SER 33 H SER 33 -5.857 -0.445 0.970 275 HA SER 33 HA SER 33 -7.299 -2.697 0.088 276 1HB SER 33 2HB SER 33 -4.600 -1.750 -0.862 277 2HB SER 33 1HB SER 33 -5.754 -2.746 -1.746 278 HG SER 33 HG SER 33 -6.231 -0.112 -0.795 279 H LEU 34 H LEU 34 -4.226 -2.358 1.784 280 HA LEU 34 HA LEU 34 -3.236 -4.990 1.435 281 1HB LEU 34 2HB LEU 34 -2.871 -3.618 4.084 282 2HB LEU 34 1HB LEU 34 -1.740 -4.625 3.188 283 HG LEU 34 HG LEU 34 -2.513 -1.773 2.651 284 1HD1 LEU 34 1HD1 LEU 34 0.081 -1.644 2.680 285 2HD1 LEU 34 2HD1 LEU 34 -0.027 -3.191 3.517 286 3HD1 LEU 34 3HD1 LEU 34 -0.791 -1.760 4.209 287 1HD2 LEU 34 1HD2 LEU 34 -0.625 -2.192 0.807 288 2HD2 LEU 34 2HD2 LEU 34 -2.333 -2.442 0.449 289 3HD2 LEU 34 3HD2 LEU 34 -1.308 -3.816 0.848 290 H ARG 35 H ARG 35 -5.295 -3.660 4.010 291 HA ARG 35 HA ARG 35 -5.556 -6.170 5.368 292 1HB ARG 35 2HB ARG 35 -6.755 -5.015 6.955 293 2HB ARG 35 1HB ARG 35 -5.883 -3.688 6.202 294 1HG ARG 35 2HG ARG 35 -7.908 -3.384 4.685 295 2HG ARG 35 1HG ARG 35 -8.762 -4.490 5.752 296 1HD ARG 35 2HD ARG 35 -8.143 -2.979 7.672 297 2HD ARG 35 1HD ARG 35 -7.511 -1.829 6.492 298 HE ARG 35 HE ARG 35 -10.341 -2.550 6.882 299 1HH1 ARG 35 1HH1 ARG 35 -9.622 -2.046 3.969 300 2HH1 ARG 35 2HH1 ARG 35 -9.970 -0.357 3.817 301 1HH2 ARG 35 1HH2 ARG 35 -10.046 0.203 7.233 302 2HH2 ARG 35 2HH2 ARG 35 -10.206 0.917 5.664 303 H ASP 36 H ASP 36 -7.349 -4.459 2.922 304 HA ASP 36 HA ASP 36 -9.657 -6.134 2.921 305 1HB ASP 36 2HB ASP 36 -8.454 -4.322 0.799 306 2HB ASP 36 1HB ASP 36 -10.024 -5.109 0.655 307 H ASP 37 H ASP 37 -6.426 -6.375 1.812 308 HA ASP 37 HA ASP 37 -6.720 -9.100 1.005 309 1HB ASP 37 2HB ASP 37 -7.671 -7.732 -0.960 310 2HB ASP 37 1HB ASP 37 -6.011 -7.244 -1.260 311 HA PRO 38 HA PRO 38 -2.450 -7.931 2.265 312 1HB PRO 38 2HB PRO 38 -2.144 -10.590 3.339 313 2HB PRO 38 1HB PRO 38 -2.244 -9.053 4.211 314 1HG PRO 38 2HG PRO 38 -4.158 -11.066 4.187 315 2HG PRO 38 1HG PRO 38 -4.369 -9.411 4.763 316 1HD PRO 38 2HD PRO 38 -5.354 -10.652 2.272 317 2HD PRO 38 1HD PRO 38 -5.942 -9.208 3.125 318 H SER 39 H SER 39 -3.672 -10.818 0.665 319 HA SER 39 HA SER 39 -1.238 -11.847 -0.331 320 1HB SER 39 2HB SER 39 -3.963 -12.017 -1.646 321 2HB SER 39 1HB SER 39 -2.600 -13.103 -1.888 322 HG SER 39 HG SER 39 -3.892 -12.647 0.601 323 H GLN 40 H GLN 40 -3.374 -9.278 -1.290 324 HA GLN 40 HA GLN 40 -1.917 -8.817 -3.772 325 1HB GLN 40 2HB GLN 40 -4.402 -7.556 -2.609 326 2HB GLN 40 1HB GLN 40 -3.647 -7.011 -4.104 327 1HG GLN 40 2HG GLN 40 -4.333 -9.922 -3.760 328 2HG GLN 40 1HG GLN 40 -5.590 -8.775 -4.210 329 1HE2 GLN 40 1HE2 GLN 40 -5.714 -8.213 -6.404 330 2HE2 GLN 40 2HE2 GLN 40 -4.524 -8.586 -7.555 331 H SER 41 H SER 41 -1.260 -8.141 -0.678 332 HA SER 41 HA SER 41 -0.888 -5.369 -0.478 333 1HB SER 41 2HB SER 41 0.675 -5.838 1.291 334 2HB SER 41 1HB SER 41 -0.528 -7.111 1.376 335 HG SER 41 HG SER 41 0.878 -8.515 0.490 336 H ALA 42 H ALA 42 0.898 -7.891 -2.049 337 HA ALA 42 HA ALA 42 3.213 -6.419 -2.748 338 1HB ALA 42 1HB ALA 42 2.008 -8.889 -3.985 339 2HB ALA 42 2HB ALA 42 3.160 -8.869 -2.648 340 3HB ALA 42 3HB ALA 42 3.654 -8.312 -4.248 341 H ASN 43 H ASN 43 0.136 -7.063 -4.301 342 HA ASN 43 HA ASN 43 0.756 -5.989 -6.883 343 1HB ASN 43 2HB ASN 43 -1.129 -7.575 -6.080 344 2HB ASN 43 1HB ASN 43 -1.930 -6.083 -5.598 345 1HD2 ASN 43 1HD2 ASN 43 -3.134 -7.663 -7.585 346 2HD2 ASN 43 2HD2 ASN 43 -3.012 -6.883 -9.087 347 H LEU 44 H LEU 44 -0.616 -4.926 -3.912 348 HA LEU 44 HA LEU 44 -1.767 -2.560 -4.804 349 1HB LEU 44 2HB LEU 44 -0.946 -3.537 -2.118 350 2HB LEU 44 1HB LEU 44 -1.795 -2.015 -2.338 351 HG LEU 44 HG LEU 44 -2.784 -4.544 -3.638 352 1HD1 LEU 44 1HD1 LEU 44 -3.390 -3.586 -0.848 353 2HD1 LEU 44 2HD1 LEU 44 -2.789 -5.164 -1.345 354 3HD1 LEU 44 3HD1 LEU 44 -4.435 -4.689 -1.740 355 1HD2 LEU 44 1HD2 LEU 44 -4.046 -1.921 -2.866 356 2HD2 LEU 44 2HD2 LEU 44 -4.917 -3.286 -3.571 357 3HD2 LEU 44 3HD2 LEU 44 -3.652 -2.478 -4.498 358 H LEU 45 H LEU 45 1.506 -3.074 -3.497 359 HA LEU 45 HA LEU 45 1.976 -0.221 -3.663 360 1HB LEU 45 2HB LEU 45 4.498 -1.520 -4.127 361 2HB LEU 45 1HB LEU 45 4.024 -0.498 -2.789 362 HG LEU 45 HG LEU 45 4.815 -2.592 -1.956 363 1HD1 LEU 45 1HD1 LEU 45 2.874 -3.341 -0.678 364 2HD1 LEU 45 2HD1 LEU 45 1.811 -2.475 -1.769 365 3HD1 LEU 45 3HD1 LEU 45 2.944 -1.584 -0.767 366 1HD2 LEU 45 1HD2 LEU 45 2.709 -4.217 -3.188 367 2HD2 LEU 45 2HD2 LEU 45 4.402 -4.588 -2.918 368 3HD2 LEU 45 3HD2 LEU 45 3.921 -3.601 -4.303 369 H ALA 46 H ALA 46 2.058 -2.998 -5.698 370 HA ALA 46 HA ALA 46 3.501 -1.986 -7.909 371 1HB ALA 46 1HB ALA 46 2.190 -4.334 -7.337 372 2HB ALA 46 2HB ALA 46 2.807 -3.908 -8.933 373 3HB ALA 46 3HB ALA 46 1.114 -3.607 -8.529 374 H GLU 47 H GLU 47 0.143 -1.879 -6.942 375 HA GLU 47 HA GLU 47 -0.920 -0.361 -9.090 376 1HB GLU 47 2HB GLU 47 -1.664 -1.283 -6.355 377 2HB GLU 47 1HB GLU 47 -2.568 0.086 -7.009 378 1HG GLU 47 2HG GLU 47 -3.491 -1.166 -8.729 379 2HG GLU 47 1HG GLU 47 -2.169 -2.333 -8.732 380 H ALA 48 H ALA 48 0.104 0.281 -5.829 381 HA ALA 48 HA ALA 48 -0.352 3.015 -5.654 382 1HB ALA 48 1HB ALA 48 1.966 1.797 -4.265 383 2HB ALA 48 2HB ALA 48 0.352 1.206 -3.892 384 3HB ALA 48 3HB ALA 48 0.736 2.902 -3.651 385 H LYS 49 H LYS 49 2.573 1.250 -6.539 386 HA LYS 49 HA LYS 49 4.178 3.548 -7.014 387 1HB LYS 49 2HB LYS 49 4.328 0.706 -8.059 388 2HB LYS 49 1HB LYS 49 5.532 1.935 -8.453 389 1HG LYS 49 2HG LYS 49 6.049 2.256 -6.087 390 2HG LYS 49 1HG LYS 49 4.780 1.133 -5.617 391 1HD LYS 49 2HD LYS 49 5.997 -0.653 -6.947 392 2HD LYS 49 1HD LYS 49 7.326 0.494 -7.135 393 1HE LYS 49 2HE LYS 49 7.401 0.692 -4.615 394 2HE LYS 49 1HE LYS 49 6.232 -0.625 -4.534 395 1HZ LYS 49 1HZ LYS 49 7.829 -1.951 -5.886 396 2HZ LYS 49 2HZ LYS 49 8.375 -1.566 -4.324 397 3HZ LYS 49 3HZ LYS 49 8.968 -0.714 -5.669 398 H LYS 50 H LYS 50 1.851 1.712 -8.930 399 HA LYS 50 HA LYS 50 2.358 3.091 -11.406 400 1HB LYS 50 2HB LYS 50 0.134 1.323 -10.372 401 2HB LYS 50 1HB LYS 50 0.022 2.123 -11.944 402 1HG LYS 50 2HG LYS 50 2.029 1.025 -12.719 403 2HG LYS 50 1HG LYS 50 2.360 0.377 -11.116 404 1HD LYS 50 2HD LYS 50 -0.001 -0.734 -11.347 405 2HD LYS 50 1HD LYS 50 0.208 -0.420 -13.069 406 1HE LYS 50 2HE LYS 50 1.437 -2.305 -13.205 407 2HE LYS 50 1HE LYS 50 2.658 -1.527 -12.198 408 1HZ LYS 50 1HZ LYS 50 2.167 -3.293 -10.888 409 2HZ LYS 50 2HZ LYS 50 0.573 -3.435 -11.457 410 3HZ LYS 50 3HZ LYS 50 0.969 -2.236 -10.321 411 H LEU 51 H LEU 51 0.296 3.493 -8.627 412 HA LEU 51 HA LEU 51 -1.417 5.560 -9.575 413 1HB LEU 51 2HB LEU 51 -0.730 4.238 -7.044 414 2HB LEU 51 1HB LEU 51 -1.256 5.881 -6.880 415 HG LEU 51 HG LEU 51 -3.091 4.263 -6.657 416 1HD1 LEU 51 1HD1 LEU 51 -4.654 5.466 -8.053 417 2HD1 LEU 51 2HD1 LEU 51 -3.354 6.011 -9.111 418 3HD1 LEU 51 3HD1 LEU 51 -3.440 6.597 -7.440 419 1HD2 LEU 51 1HD2 LEU 51 -2.660 2.441 -8.025 420 2HD2 LEU 51 2HD2 LEU 51 -2.091 3.441 -9.364 421 3HD2 LEU 51 3HD2 LEU 51 -3.820 3.316 -9.033 422 H ASN 52 H ASN 52 1.503 5.432 -7.671 423 HA ASN 52 HA ASN 52 1.801 8.115 -7.001 424 1HB ASN 52 2HB ASN 52 3.003 6.154 -6.017 425 2HB ASN 52 1HB ASN 52 3.930 6.013 -7.504 426 1HD2 ASN 52 1HD2 ASN 52 5.786 7.292 -7.682 427 2HD2 ASN 52 2HD2 ASN 52 6.220 8.501 -6.572 428 H ASP 53 H ASP 53 3.055 6.187 -9.631 429 HA ASP 53 HA ASP 53 4.357 8.291 -10.975 430 1HB ASP 53 2HB ASP 53 3.486 5.554 -11.891 431 2HB ASP 53 1HB ASP 53 4.537 6.623 -12.817 432 H ALA 54 H ALA 54 1.201 6.749 -11.258 433 HA ALA 54 HA ALA 54 0.436 7.977 -13.725 434 1HB ALA 54 1HB ALA 54 -0.599 5.936 -12.994 435 2HB ALA 54 2HB ALA 54 -1.832 7.195 -13.065 436 3HB ALA 54 3HB ALA 54 -1.153 6.716 -11.508 437 H GLN 55 H GLN 55 -0.245 8.777 -10.323 438 HA GLN 55 HA GLN 55 -2.057 10.904 -11.069 439 1HB GLN 55 2HB GLN 55 -0.821 10.075 -8.442 440 2HB GLN 55 1HB GLN 55 -1.957 11.400 -8.621 441 1HG GLN 55 2HG GLN 55 -3.627 9.820 -9.565 442 2HG GLN 55 1HG GLN 55 -2.496 8.497 -9.268 443 1HE2 GLN 55 1HE2 GLN 55 -1.888 10.647 -6.810 444 2HE2 GLN 55 2HE2 GLN 55 -2.942 10.002 -5.638 445 H ALA 56 H ALA 56 1.158 10.564 -9.729 446 HA ALA 56 HA ALA 56 2.763 12.169 -9.180 447 1HB ALA 56 1HB ALA 56 2.129 12.899 -12.052 448 2HB ALA 56 2HB ALA 56 3.188 11.585 -11.538 449 3HB ALA 56 3HB ALA 56 3.630 13.257 -11.195 450 HA PRO 57 HA PRO 57 -0.962 15.202 -8.414 451 1HB PRO 57 2HB PRO 57 0.399 15.574 -5.878 452 2HB PRO 57 1HB PRO 57 -1.196 14.864 -6.196 453 1HG PRO 57 2HG PRO 57 1.440 13.543 -5.933 454 2HG PRO 57 1HG PRO 57 -0.182 12.933 -5.539 455 1HD PRO 57 2HD PRO 57 0.997 11.977 -7.696 456 2HD PRO 57 1HD PRO 57 -0.685 12.510 -7.815 457 H LYS 58 H LYS 58 -0.704 17.112 -9.312 458 HA LYS 58 HA LYS 58 1.869 18.541 -9.143 459 1HB LYS 58 2HB LYS 58 -0.525 18.951 -10.959 460 2HB LYS 58 1HB LYS 58 0.944 19.925 -10.993 461 1HG LYS 58 2HG LYS 58 1.589 18.397 -12.573 462 2HG LYS 58 1HG LYS 58 2.046 17.451 -11.157 463 1HD LYS 58 2HD LYS 58 -0.138 16.305 -11.201 464 2HD LYS 58 1HD LYS 58 -0.627 17.270 -12.592 465 1HE LYS 58 2HE LYS 58 0.861 16.188 -14.036 466 2HE LYS 58 1HE LYS 58 1.914 15.663 -12.723 467 1HZ LYS 58 1HZ LYS 58 0.574 13.850 -13.652 468 2HZ LYS 58 2HZ LYS 58 -0.843 14.663 -13.184 469 3HZ LYS 58 3HZ LYS 58 0.251 14.109 -12.007 Start of MODEL 19 1 1H VAL 1 1HT VAL 1 -2.379 -11.452 20.107 2 2H VAL 1 2HT VAL 1 -3.500 -10.825 18.993 3 3H VAL 1 3HT VAL 1 -2.048 -9.997 19.299 4 HA VAL 1 HA VAL 1 -0.772 -11.446 18.099 5 HB VAL 1 HB VAL 1 -1.615 -13.435 19.362 6 1HG1 VAL 1 1HG1 VAL 1 -3.578 -14.631 18.630 7 2HG1 VAL 1 2HG1 VAL 1 -3.801 -13.543 17.261 8 3HG1 VAL 1 3HG1 VAL 1 -4.057 -12.955 18.904 9 1HG2 VAL 1 1HG2 VAL 1 -0.189 -13.572 17.234 10 2HG2 VAL 1 2HG2 VAL 1 -1.678 -13.980 16.382 11 3HG2 VAL 1 3HG2 VAL 1 -1.081 -15.030 17.665 12 H ASP 2 H ASP 2 -0.780 -11.846 15.808 13 HA ASP 2 HA ASP 2 -3.228 -11.159 14.333 14 1HB ASP 2 2HB ASP 2 -2.003 -9.029 14.695 15 2HB ASP 2 1HB ASP 2 -0.584 -9.732 13.924 16 H ASN 3 H ASN 3 -3.147 -11.724 12.107 17 HA ASN 3 HA ASN 3 -1.709 -14.157 11.572 18 1HB ASN 3 2HB ASN 3 -3.342 -12.443 9.674 19 2HB ASN 3 1HB ASN 3 -2.906 -14.137 9.454 20 1HD2 ASN 3 1HD2 ASN 3 -5.319 -12.061 10.702 21 2HD2 ASN 3 2HD2 ASN 3 -6.187 -13.223 11.583 22 H LYS 4 H LYS 4 -1.158 -13.763 8.781 23 HA LYS 4 HA LYS 4 1.427 -12.501 8.994 24 1HB LYS 4 2HB LYS 4 0.065 -13.698 6.580 25 2HB LYS 4 1HB LYS 4 1.762 -13.240 6.681 26 1HG LYS 4 2HG LYS 4 2.051 -14.862 8.566 27 2HG LYS 4 1HG LYS 4 0.383 -15.386 8.327 28 1HD LYS 4 2HD LYS 4 0.953 -15.977 5.960 29 2HD LYS 4 1HD LYS 4 2.635 -15.567 6.300 30 1HE LYS 4 2HE LYS 4 2.678 -17.282 8.094 31 2HE LYS 4 1HE LYS 4 1.010 -17.710 7.709 32 1HZ LYS 4 1HZ LYS 4 2.576 -19.191 6.621 33 2HZ LYS 4 2HZ LYS 4 3.315 -17.874 5.842 34 3HZ LYS 4 3HZ LYS 4 1.709 -18.291 5.474 35 H PHE 5 H PHE 5 -1.484 -11.231 8.749 36 HA PHE 5 HA PHE 5 -1.545 -9.526 6.549 37 1HB PHE 5 2HB PHE 5 -2.675 -9.460 9.315 38 2HB PHE 5 1HB PHE 5 -2.788 -8.032 8.300 39 HD1 PHE 5 1HD PHE 5 -4.959 -7.856 7.508 40 HD2 PHE 5 2HD PHE 5 -3.011 -11.702 7.519 41 HE1 PHE 5 1HE PHE 5 -6.912 -8.835 6.350 42 HE2 PHE 5 2HE PHE 5 -4.989 -12.679 6.349 43 HZ PHE 5 HZ PHE 5 -6.927 -11.228 5.766 44 H ASN 6 H ASN 6 -0.568 -8.713 9.883 45 HA ASN 6 HA ASN 6 0.257 -6.110 9.320 46 1HB ASN 6 2HB ASN 6 1.165 -7.994 11.483 47 2HB ASN 6 1HB ASN 6 1.554 -6.279 11.433 48 1HD2 ASN 6 1HD2 ASN 6 0.087 -7.225 13.624 49 2HD2 ASN 6 2HD2 ASN 6 -1.517 -6.680 13.520 50 H LYS 7 H LYS 7 2.212 -9.085 9.496 51 HA LYS 7 HA LYS 7 4.683 -7.881 9.043 52 1HB LYS 7 2HB LYS 7 4.424 -10.176 9.828 53 2HB LYS 7 1HB LYS 7 3.767 -10.649 8.265 54 1HG LYS 7 2HG LYS 7 6.072 -11.269 8.200 55 2HG LYS 7 1HG LYS 7 5.963 -9.798 7.243 56 1HD LYS 7 2HD LYS 7 6.464 -9.367 10.138 57 2HD LYS 7 1HD LYS 7 7.764 -10.186 9.277 58 1HE LYS 7 2HE LYS 7 6.524 -7.523 8.507 59 2HE LYS 7 1HE LYS 7 8.114 -7.757 9.227 60 1HZ LYS 7 1HZ LYS 7 8.403 -9.339 7.183 61 2HZ LYS 7 2HZ LYS 7 8.657 -7.666 7.030 62 3HZ LYS 7 3HZ LYS 7 7.194 -8.358 6.512 63 H GLU 8 H GLU 8 2.222 -9.076 6.798 64 HA GLU 8 HA GLU 8 3.800 -8.557 4.437 65 1HB GLU 8 2HB GLU 8 1.968 -10.231 4.541 66 2HB GLU 8 1HB GLU 8 0.807 -8.931 4.796 67 1HG GLU 8 2HG GLU 8 0.909 -9.646 2.419 68 2HG GLU 8 1HG GLU 8 1.348 -7.958 2.643 69 H ARG 9 H ARG 9 1.379 -6.887 6.307 70 HA ARG 9 HA ARG 9 0.974 -4.696 4.605 71 1HB ARG 9 2HB ARG 9 0.340 -5.244 7.486 72 2HB ARG 9 1HB ARG 9 0.027 -3.665 6.768 73 1HG ARG 9 2HG ARG 9 -1.527 -4.504 5.256 74 2HG ARG 9 1HG ARG 9 -0.896 -6.139 5.324 75 1HD ARG 9 2HD ARG 9 -2.600 -6.592 6.718 76 2HD ARG 9 1HD ARG 9 -1.744 -5.649 7.935 77 HE ARG 9 HE ARG 9 -4.152 -4.897 6.580 78 1HH1 ARG 9 1HH1 ARG 9 -2.579 -3.996 9.235 79 2HH1 ARG 9 2HH1 ARG 9 -2.601 -2.284 8.976 80 1HH2 ARG 9 1HH2 ARG 9 -3.589 -2.532 5.666 81 2HH2 ARG 9 2HH2 ARG 9 -3.172 -1.457 6.957 82 H VAL 10 H VAL 10 3.344 -5.334 7.133 83 HA VAL 10 HA VAL 10 4.193 -2.673 7.557 84 HB VAL 10 HB VAL 10 6.039 -5.070 7.594 85 1HG1 VAL 10 1HG1 VAL 10 6.851 -2.584 7.716 86 2HG1 VAL 10 2HG1 VAL 10 7.475 -3.740 8.899 87 3HG1 VAL 10 3HG1 VAL 10 6.190 -2.623 9.355 88 1HG2 VAL 10 1HG2 VAL 10 3.825 -4.413 9.408 89 2HG2 VAL 10 2HG2 VAL 10 5.373 -4.597 10.229 90 3HG2 VAL 10 3HG2 VAL 10 4.748 -5.910 9.230 91 H ILE 11 H ILE 11 5.268 -5.255 5.523 92 HA ILE 11 HA ILE 11 7.347 -3.988 4.179 93 HB ILE 11 HB ILE 11 5.449 -6.165 3.273 94 1HG1 ILE 11 2HG1 ILE 11 8.194 -6.472 4.525 95 2HG1 ILE 11 1HG1 ILE 11 6.707 -6.513 5.479 96 1HG2 ILE 11 1HG2 ILE 11 8.267 -5.605 2.329 97 2HG2 ILE 11 2HG2 ILE 11 6.820 -5.074 1.464 98 3HG2 ILE 11 3HG2 ILE 11 7.135 -6.803 1.697 99 1HD1 ILE 11 1HD1 ILE 11 7.731 -8.760 4.535 100 2HD1 ILE 11 2HD1 ILE 11 6.936 -8.262 3.039 101 3HD1 ILE 11 3HD1 ILE 11 5.983 -8.511 4.508 102 H ALA 12 H ALA 12 3.969 -4.462 3.388 103 HA ALA 12 HA ALA 12 3.955 -3.046 0.932 104 1HB ALA 12 1HB ALA 12 1.960 -4.143 2.854 105 2HB ALA 12 2HB ALA 12 2.312 -4.615 1.184 106 3HB ALA 12 3HB ALA 12 1.430 -3.122 1.506 107 H ILE 13 H ILE 13 2.744 -2.106 4.194 108 HA ILE 13 HA ILE 13 1.823 0.421 3.408 109 HB ILE 13 HB ILE 13 1.338 -0.732 5.612 110 1HG1 ILE 13 2HG1 ILE 13 2.002 2.096 5.145 111 2HG1 ILE 13 1HG1 ILE 13 0.537 1.392 5.804 112 1HG2 ILE 13 1HG2 ILE 13 3.973 0.428 6.547 113 2HG2 ILE 13 2HG2 ILE 13 3.844 -1.223 5.979 114 3HG2 ILE 13 3HG2 ILE 13 2.920 -0.716 7.379 115 1HD1 ILE 13 1HD1 ILE 13 1.541 2.700 7.550 116 2HD1 ILE 13 2HD1 ILE 13 3.126 1.977 7.248 117 3HD1 ILE 13 3HD1 ILE 13 1.828 1.004 7.948 118 H GLY 14 H GLY 14 4.928 -0.796 4.397 119 1HA GLY 14 2HA GLY 14 6.292 1.639 4.616 120 2HA GLY 14 1HA GLY 14 7.034 0.051 4.345 121 H GLU 15 H GLU 15 5.595 -0.618 1.943 122 HA GLU 15 HA GLU 15 7.194 0.703 -0.025 123 1HB GLU 15 2HB GLU 15 4.792 -1.117 -0.267 124 2HB GLU 15 1HB GLU 15 5.758 -0.578 -1.634 125 1HG GLU 15 2HG GLU 15 7.459 -1.696 0.439 126 2HG GLU 15 1HG GLU 15 6.193 -2.843 -0.024 127 H ILE 16 H ILE 16 3.781 0.724 0.814 128 HA ILE 16 HA ILE 16 2.872 2.420 -1.199 129 HB ILE 16 HB ILE 16 1.634 1.952 1.504 130 1HG1 ILE 16 2HG1 ILE 16 2.381 0.042 -0.425 131 2HG1 ILE 16 1HG1 ILE 16 1.366 -0.209 0.978 132 1HG2 ILE 16 1HG2 ILE 16 -0.369 2.632 0.616 133 2HG2 ILE 16 2HG2 ILE 16 0.111 2.357 -1.065 134 3HG2 ILE 16 3HG2 ILE 16 0.738 3.741 -0.174 135 1HD1 ILE 16 1HD1 ILE 16 -0.036 0.860 -1.392 136 2HD1 ILE 16 2HD1 ILE 16 -0.487 -0.433 -0.273 137 3HD1 ILE 16 3HD1 ILE 16 0.658 -0.752 -1.570 138 H MET 17 H MET 17 3.722 2.982 2.173 139 HA MET 17 HA MET 17 3.046 5.733 2.279 140 1HB MET 17 2HB MET 17 4.819 3.985 4.006 141 2HB MET 17 1HB MET 17 4.450 5.673 4.387 142 1HG MET 17 2HG MET 17 2.323 3.568 3.910 143 2HG MET 17 1HG MET 17 2.933 3.975 5.510 144 1HE MET 17 1HE MET 17 -0.027 4.214 3.625 145 2HE MET 17 2HE MET 17 -0.790 5.358 4.731 146 3HE MET 17 3HE MET 17 0.121 3.990 5.372 147 H ARG 18 H ARG 18 5.823 4.056 1.053 148 HA ARG 18 HA ARG 18 7.787 6.089 1.296 149 1HB ARG 18 2HB ARG 18 8.313 3.730 0.798 150 2HB ARG 18 1HB ARG 18 7.502 3.876 -0.757 151 1HG ARG 18 2HG ARG 18 9.124 5.686 -1.376 152 2HG ARG 18 1HG ARG 18 9.984 5.375 0.134 153 1HD ARG 18 2HD ARG 18 10.274 2.999 -0.578 154 2HD ARG 18 1HD ARG 18 9.511 3.398 -2.115 155 HE ARG 18 HE ARG 18 12.212 4.075 -1.292 156 1HH1 ARG 18 1HH1 ARG 18 10.898 6.640 -2.224 157 2HH1 ARG 18 2HH1 ARG 18 11.267 6.634 -3.916 158 1HH2 ARG 18 1HH2 ARG 18 12.106 3.273 -3.987 159 2HH2 ARG 18 2HH2 ARG 18 11.951 4.728 -4.914 160 H LEU 19 H LEU 19 5.284 5.379 -1.000 161 HA LEU 19 HA LEU 19 5.951 6.800 -3.220 162 1HB LEU 19 2HB LEU 19 3.191 6.593 -2.028 163 2HB LEU 19 1HB LEU 19 3.607 6.791 -3.734 164 HG LEU 19 HG LEU 19 4.435 4.427 -2.018 165 1HD1 LEU 19 1HD1 LEU 19 1.970 4.582 -2.603 166 2HD1 LEU 19 2HD1 LEU 19 2.822 3.118 -3.089 167 3HD1 LEU 19 3HD1 LEU 19 2.462 4.372 -4.286 168 1HD2 LEU 19 1HD2 LEU 19 5.169 5.396 -4.705 169 2HD2 LEU 19 2HD2 LEU 19 4.779 3.673 -4.603 170 3HD2 LEU 19 3HD2 LEU 19 6.052 4.350 -3.582 171 HA PRO 20 HA PRO 20 6.049 10.940 -1.402 172 1HB PRO 20 2HB PRO 20 7.337 11.896 -3.789 173 2HB PRO 20 1HB PRO 20 8.057 11.587 -2.203 174 1HG PRO 20 2HG PRO 20 8.529 10.154 -4.534 175 2HG PRO 20 1HG PRO 20 8.947 9.648 -2.887 176 1HD PRO 20 2HD PRO 20 6.715 8.753 -4.626 177 2HD PRO 20 1HD PRO 20 7.544 7.899 -3.309 178 H ASN 21 H ASN 21 4.504 9.908 -4.353 179 HA ASN 21 HA ASN 21 3.552 12.632 -4.930 180 1HB ASN 21 2HB ASN 21 2.917 10.062 -6.414 181 2HB ASN 21 1HB ASN 21 2.559 11.696 -6.935 182 1HD2 ASN 21 1HD2 ASN 21 4.584 9.452 -7.867 183 2HD2 ASN 21 2HD2 ASN 21 6.018 10.330 -8.092 184 H LEU 22 H LEU 22 1.891 9.510 -4.631 185 HA LEU 22 HA LEU 22 -0.696 10.146 -4.433 186 1HB LEU 22 2HB LEU 22 0.786 8.319 -2.545 187 2HB LEU 22 1HB LEU 22 -0.966 8.318 -2.776 188 HG LEU 22 HG LEU 22 0.831 8.071 -5.166 189 1HD1 LEU 22 1HD1 LEU 22 1.666 6.438 -3.556 190 2HD1 LEU 22 2HD1 LEU 22 0.805 5.626 -4.861 191 3HD1 LEU 22 3HD1 LEU 22 0.032 5.835 -3.288 192 1HD2 LEU 22 1HD2 LEU 22 -1.459 6.370 -5.096 193 2HD2 LEU 22 2HD2 LEU 22 -1.162 7.772 -6.150 194 3HD2 LEU 22 3HD2 LEU 22 -1.964 7.984 -4.581 195 H ASN 23 H ASN 23 -2.211 10.818 -2.948 196 HA ASN 23 HA ASN 23 -1.185 12.566 -0.827 197 1HB ASN 23 2HB ASN 23 -3.712 12.973 -0.487 198 2HB ASN 23 1HB ASN 23 -2.987 13.590 -1.966 199 1HD2 ASN 23 1HD2 ASN 23 -4.152 13.091 -3.815 200 2HD2 ASN 23 2HD2 ASN 23 -5.182 11.753 -3.985 201 H SER 24 H SER 24 -2.090 12.291 1.373 202 HA SER 24 HA SER 24 -1.496 9.811 2.390 203 1HB SER 24 2HB SER 24 -2.714 10.458 4.410 204 2HB SER 24 1HB SER 24 -1.666 11.744 3.813 205 HG SER 24 HG SER 24 -4.469 11.481 3.404 206 H LEU 25 H LEU 25 -4.624 10.941 1.207 207 HA LEU 25 HA LEU 25 -6.190 8.824 2.219 208 1HB LEU 25 2HB LEU 25 -6.597 10.299 -0.381 209 2HB LEU 25 1HB LEU 25 -7.811 9.460 0.571 210 HG LEU 25 HG LEU 25 -7.114 11.117 2.474 211 1HD1 LEU 25 1HD1 LEU 25 -5.712 12.201 0.097 212 2HD1 LEU 25 2HD1 LEU 25 -5.412 12.495 1.809 213 3HD1 LEU 25 3HD1 LEU 25 -6.690 13.375 0.976 214 1HD2 LEU 25 1HD2 LEU 25 -8.754 11.598 0.015 215 2HD2 LEU 25 2HD2 LEU 25 -8.645 12.866 1.240 216 3HD2 LEU 25 3HD2 LEU 25 -9.298 11.280 1.663 217 H GLN 26 H GLN 26 -4.600 9.219 -0.950 218 HA GLN 26 HA GLN 26 -5.400 6.726 -1.952 219 1HB GLN 26 2HB GLN 26 -3.132 8.531 -2.564 220 2HB GLN 26 1HB GLN 26 -3.398 7.041 -3.433 221 1HG GLN 26 2HG GLN 26 -5.484 7.748 -4.271 222 2HG GLN 26 1HG GLN 26 -5.636 9.019 -3.044 223 1HE2 GLN 26 1HE2 GLN 26 -5.903 9.369 -5.903 224 2HE2 GLN 26 2HE2 GLN 26 -4.679 10.436 -6.397 225 H VAL 27 H VAL 27 -2.565 7.904 -0.319 226 HA VAL 27 HA VAL 27 -0.991 5.612 -0.248 227 HB VAL 27 HB VAL 27 -1.326 8.044 1.501 228 1HG1 VAL 27 1HG1 VAL 27 -0.406 6.870 3.181 229 2HG1 VAL 27 2HG1 VAL 27 1.085 7.176 2.287 230 3HG1 VAL 27 3HG1 VAL 27 0.256 5.629 2.107 231 1HG2 VAL 27 1HG2 VAL 27 0.647 7.105 -0.572 232 2HG2 VAL 27 2HG2 VAL 27 1.099 8.342 0.601 233 3HG2 VAL 27 3HG2 VAL 27 -0.246 8.625 -0.504 234 H VAL 28 H VAL 28 -3.494 6.846 1.851 235 HA VAL 28 HA VAL 28 -3.381 4.668 3.703 236 HB VAL 28 HB VAL 28 -5.430 6.841 3.425 237 1HG1 VAL 28 1HG1 VAL 28 -5.966 6.128 5.786 238 2HG1 VAL 28 2HG1 VAL 28 -4.875 4.755 5.574 239 3HG1 VAL 28 3HG1 VAL 28 -6.351 4.873 4.605 240 1HG2 VAL 28 1HG2 VAL 28 -2.774 6.980 4.107 241 2HG2 VAL 28 2HG2 VAL 28 -3.508 6.644 5.677 242 3HG2 VAL 28 3HG2 VAL 28 -4.010 8.068 4.757 243 H ALA 29 H ALA 29 -5.204 5.449 0.911 244 HA ALA 29 HA ALA 29 -7.343 3.682 1.004 245 1HB ALA 29 1HB ALA 29 -5.675 4.154 -1.468 246 2HB ALA 29 2HB ALA 29 -6.632 5.463 -0.756 247 3HB ALA 29 3HB ALA 29 -7.431 3.993 -1.323 248 H PHE 30 H PHE 30 -4.019 3.356 0.071 249 HA PHE 30 HA PHE 30 -4.138 0.699 -0.801 250 1HB PHE 30 2HB PHE 30 -2.079 2.685 -0.063 251 2HB PHE 30 1HB PHE 30 -1.621 1.008 -0.257 252 HD1 PHE 30 1HD PHE 30 -2.594 -0.186 -2.390 253 HD2 PHE 30 2HD PHE 30 -2.161 4.032 -1.899 254 HE1 PHE 30 1HE PHE 30 -2.717 0.121 -4.831 255 HE2 PHE 30 2HE PHE 30 -2.371 4.369 -4.280 256 HZ PHE 30 HZ PHE 30 -2.632 2.401 -5.811 257 H ILE 31 H ILE 31 -3.372 2.328 2.291 258 HA ILE 31 HA ILE 31 -2.447 0.031 3.655 259 HB ILE 31 HB ILE 31 -4.260 2.164 4.847 260 1HG1 ILE 31 2HG1 ILE 31 -1.234 2.072 4.875 261 2HG1 ILE 31 1HG1 ILE 31 -2.173 3.100 3.795 262 1HG2 ILE 31 1HG2 ILE 31 -3.030 1.496 6.956 263 2HG2 ILE 31 2HG2 ILE 31 -2.347 0.145 6.054 264 3HG2 ILE 31 3HG2 ILE 31 -4.092 0.247 6.304 265 1HD1 ILE 31 1HD1 ILE 31 -2.438 4.614 5.452 266 2HD1 ILE 31 2HD1 ILE 31 -1.483 3.599 6.526 267 3HD1 ILE 31 3HD1 ILE 31 -3.231 3.396 6.440 268 H ASN 32 H ASN 32 -5.605 1.307 2.865 269 HA ASN 32 HA ASN 32 -7.197 -0.564 4.292 270 1HB ASN 32 2HB ASN 32 -7.719 1.744 3.020 271 2HB ASN 32 1HB ASN 32 -8.194 0.621 1.752 272 1HD2 ASN 32 1HD2 ASN 32 -9.084 1.903 4.884 273 2HD2 ASN 32 2HD2 ASN 32 -10.533 1.032 5.043 274 H SER 33 H SER 33 -5.921 -0.530 0.981 275 HA SER 33 HA SER 33 -7.348 -2.786 0.083 276 1HB SER 33 2HB SER 33 -4.641 -1.856 -0.858 277 2HB SER 33 1HB SER 33 -5.835 -2.789 -1.757 278 HG SER 33 HG SER 33 -6.282 -0.190 -0.709 279 H LEU 34 H LEU 34 -4.286 -2.410 1.786 280 HA LEU 34 HA LEU 34 -3.260 -5.030 1.474 281 1HB LEU 34 2HB LEU 34 -2.959 -3.617 4.113 282 2HB LEU 34 1HB LEU 34 -1.802 -4.628 3.258 283 HG LEU 34 HG LEU 34 -2.601 -1.796 2.623 284 1HD1 LEU 34 1HD1 LEU 34 -0.012 -1.619 2.747 285 2HD1 LEU 34 2HD1 LEU 34 -0.118 -3.148 3.617 286 3HD1 LEU 34 3HD1 LEU 34 -0.933 -1.718 4.250 287 1HD2 LEU 34 1HD2 LEU 34 -0.614 -2.279 0.879 288 2HD2 LEU 34 2HD2 LEU 34 -2.313 -2.489 0.456 289 3HD2 LEU 34 3HD2 LEU 34 -1.344 -3.883 0.924 290 H ARG 35 H ARG 35 -5.370 -3.707 4.016 291 HA ARG 35 HA ARG 35 -5.641 -6.228 5.356 292 1HB ARG 35 2HB ARG 35 -7.386 -5.120 6.691 293 2HB ARG 35 1HB ARG 35 -5.908 -4.177 6.595 294 1HG ARG 35 2HG ARG 35 -6.899 -2.789 4.818 295 2HG ARG 35 1HG ARG 35 -8.401 -3.704 4.943 296 1HD ARG 35 2HD ARG 35 -8.533 -3.025 7.354 297 2HD ARG 35 1HD ARG 35 -7.115 -2.010 7.104 298 HE ARG 35 HE ARG 35 -8.430 -0.584 5.706 299 1HH1 ARG 35 1HH2 ARG 35 -10.360 -2.564 4.562 300 2HH1 ARG 35 2HH2 ARG 35 -11.834 -2.161 5.378 301 1HH2 ARG 35 1HH1 ARG 35 -10.268 -0.334 7.863 302 2HH2 ARG 35 2HH1 ARG 35 -11.782 -0.900 7.245 303 H ASP 36 H ASP 36 -7.413 -4.509 2.896 304 HA ASP 36 HA ASP 36 -9.720 -6.179 2.859 305 1HB ASP 36 2HB ASP 36 -8.443 -4.440 0.720 306 2HB ASP 36 1HB ASP 36 -10.006 -5.231 0.545 307 H ASP 37 H ASP 37 -6.457 -6.453 1.864 308 HA ASP 37 HA ASP 37 -6.694 -9.194 1.131 309 1HB ASP 37 2HB ASP 37 -7.699 -7.948 -0.879 310 2HB ASP 37 1HB ASP 37 -6.063 -7.405 -1.210 311 HA PRO 38 HA PRO 38 -2.426 -7.911 2.264 312 1HB PRO 38 2HB PRO 38 -2.034 -10.537 3.383 313 2HB PRO 38 1HB PRO 38 -2.159 -8.988 4.228 314 1HG PRO 38 2HG PRO 38 -4.019 -11.049 4.279 315 2HG PRO 38 1HG PRO 38 -4.266 -9.388 4.823 316 1HD PRO 38 2HD PRO 38 -5.249 -10.710 2.370 317 2HD PRO 38 1HD PRO 38 -5.873 -9.273 3.208 318 H SER 39 H SER 39 -3.636 -10.813 0.709 319 HA SER 39 HA SER 39 -1.200 -11.827 -0.315 320 1HB SER 39 2HB SER 39 -3.905 -12.066 -1.650 321 2HB SER 39 1HB SER 39 -2.544 -13.174 -1.761 322 HG SER 39 HG SER 39 -4.201 -12.625 0.472 323 H GLN 40 H GLN 40 -3.414 -9.316 -1.276 324 HA GLN 40 HA GLN 40 -1.998 -8.866 -3.786 325 1HB GLN 40 2HB GLN 40 -4.502 -7.632 -2.630 326 2HB GLN 40 1HB GLN 40 -3.784 -7.141 -4.162 327 1HG GLN 40 2HG GLN 40 -4.624 -9.984 -3.524 328 2HG GLN 40 1HG GLN 40 -5.628 -8.837 -4.406 329 1HE2 GLN 40 1HE2 GLN 40 -3.485 -11.340 -4.900 330 2HE2 GLN 40 2HE2 GLN 40 -2.919 -10.916 -6.443 331 H SER 41 H SER 41 -1.356 -8.097 -0.710 332 HA SER 41 HA SER 41 -1.012 -5.306 -0.577 333 1HB SER 41 2HB SER 41 0.611 -5.751 1.165 334 2HB SER 41 1HB SER 41 -0.598 -7.016 1.309 335 HG SER 41 HG SER 41 1.990 -7.284 0.890 336 H ALA 42 H ALA 42 0.810 -7.878 -2.070 337 HA ALA 42 HA ALA 42 3.108 -6.435 -2.820 338 1HB ALA 42 1HB ALA 42 1.852 -8.872 -4.070 339 2HB ALA 42 2HB ALA 42 3.010 -8.884 -2.740 340 3HB ALA 42 3HB ALA 42 3.506 -8.323 -4.337 341 H ASN 43 H ASN 43 0.022 -7.038 -4.375 342 HA ASN 43 HA ASN 43 0.641 -5.923 -6.936 343 1HB ASN 43 2HB ASN 43 -1.217 -7.533 -6.203 344 2HB ASN 43 1HB ASN 43 -2.020 -6.087 -5.598 345 1HD2 ASN 43 1HD2 ASN 43 -3.716 -6.616 -7.260 346 2HD2 ASN 43 2HD2 ASN 43 -3.474 -6.126 -8.866 347 H LEU 44 H LEU 44 -0.717 -4.898 -3.938 348 HA LEU 44 HA LEU 44 -1.868 -2.512 -4.796 349 1HB LEU 44 2HB LEU 44 -1.057 -3.535 -2.120 350 2HB LEU 44 1HB LEU 44 -1.915 -2.015 -2.324 351 HG LEU 44 HG LEU 44 -2.879 -4.536 -3.657 352 1HD1 LEU 44 1HD1 LEU 44 -2.968 -5.240 -1.426 353 2HD1 LEU 44 2HD1 LEU 44 -4.576 -4.600 -1.733 354 3HD1 LEU 44 3HD1 LEU 44 -3.402 -3.639 -0.839 355 1HD2 LEU 44 1HD2 LEU 44 -4.148 -1.919 -2.886 356 2HD2 LEU 44 2HD2 LEU 44 -5.021 -3.283 -3.587 357 3HD2 LEU 44 3HD2 LEU 44 -3.755 -2.479 -4.517 358 H LEU 45 H LEU 45 1.375 -3.064 -3.434 359 HA LEU 45 HA LEU 45 1.870 -0.218 -3.573 360 1HB LEU 45 2HB LEU 45 4.398 -1.482 -3.967 361 2HB LEU 45 1HB LEU 45 3.859 -0.526 -2.606 362 HG LEU 45 HG LEU 45 4.666 -2.642 -1.844 363 1HD1 LEU 45 1HD1 LEU 45 1.663 -2.469 -1.709 364 2HD1 LEU 45 2HD1 LEU 45 2.819 -1.760 -0.607 365 3HD1 LEU 45 3HD1 LEU 45 2.654 -3.507 -0.697 366 1HD2 LEU 45 1HD2 LEU 45 2.595 -4.168 -3.296 367 2HD2 LEU 45 2HD2 LEU 45 4.213 -4.647 -2.815 368 3HD2 LEU 45 3HD2 LEU 45 3.978 -3.600 -4.218 369 H ALA 46 H ALA 46 1.987 -2.981 -5.610 370 HA ALA 46 HA ALA 46 3.485 -1.971 -7.792 371 1HB ALA 46 1HB ALA 46 2.803 -3.889 -8.827 372 2HB ALA 46 2HB ALA 46 1.103 -3.575 -8.463 373 3HB ALA 46 3HB ALA 46 2.142 -4.311 -7.247 374 H GLU 47 H GLU 47 0.108 -1.862 -6.873 375 HA GLU 47 HA GLU 47 -0.904 -0.348 -9.054 376 1HB GLU 47 2HB GLU 47 -1.723 -1.251 -6.334 377 2HB GLU 47 1HB GLU 47 -2.607 0.117 -7.019 378 1HG GLU 47 2HG GLU 47 -3.440 -1.145 -8.797 379 2HG GLU 47 1HG GLU 47 -2.164 -2.355 -8.670 380 H ALA 48 H ALA 48 0.013 0.321 -5.764 381 HA ALA 48 HA ALA 48 -0.419 3.061 -5.632 382 1HB ALA 48 1HB ALA 48 1.837 1.754 -4.180 383 2HB ALA 48 2HB ALA 48 0.177 1.313 -3.801 384 3HB ALA 48 3HB ALA 48 0.705 2.978 -3.608 385 H LYS 49 H LYS 49 2.510 1.257 -6.416 386 HA LYS 49 HA LYS 49 4.163 3.515 -6.895 387 1HB LYS 49 2HB LYS 49 4.276 0.651 -7.884 388 2HB LYS 49 1HB LYS 49 5.505 1.849 -8.293 389 1HG LYS 49 2HG LYS 49 6.031 2.202 -5.946 390 2HG LYS 49 1HG LYS 49 4.706 1.163 -5.441 391 1HD LYS 49 2HD LYS 49 5.839 -0.737 -6.677 392 2HD LYS 49 1HD LYS 49 7.220 0.334 -6.922 393 1HE LYS 49 2HE LYS 49 7.458 0.601 -4.478 394 2HE LYS 49 1HE LYS 49 6.065 -0.448 -4.222 395 1HZ LYS 49 1HZ LYS 49 8.568 -1.247 -5.602 396 2HZ LYS 49 2HZ LYS 49 7.237 -2.250 -5.274 397 3HZ LYS 49 3HZ LYS 49 8.172 -1.633 -3.997 398 H LYS 50 H LYS 50 1.823 1.709 -8.810 399 HA LYS 50 HA LYS 50 2.390 3.018 -11.306 400 1HB LYS 50 2HB LYS 50 0.573 0.976 -10.348 401 2HB LYS 50 1HB LYS 50 -0.317 2.173 -11.277 402 1HG LYS 50 2HG LYS 50 0.371 0.781 -12.991 403 2HG LYS 50 1HG LYS 50 1.724 1.907 -12.961 404 1HD LYS 50 2HD LYS 50 2.823 -0.159 -12.937 405 2HD LYS 50 1HD LYS 50 2.745 0.223 -11.218 406 1HE LYS 50 2HE LYS 50 0.479 -1.080 -11.273 407 2HE LYS 50 1HE LYS 50 1.082 -1.740 -12.793 408 1HZ LYS 50 1HZ LYS 50 2.956 -2.643 -11.712 409 2HZ LYS 50 2HZ LYS 50 1.620 -3.054 -10.746 410 3HZ LYS 50 3HZ LYS 50 2.651 -1.786 -10.280 411 H LEU 51 H LEU 51 0.215 3.518 -8.592 412 HA LEU 51 HA LEU 51 -1.368 5.630 -9.644 413 1HB LEU 51 2HB LEU 51 -0.743 4.496 -6.971 414 2HB LEU 51 1HB LEU 51 -1.398 6.102 -7.034 415 HG LEU 51 HG LEU 51 -3.063 4.258 -6.716 416 1HD1 LEU 51 1HD1 LEU 51 -3.992 6.311 -7.254 417 2HD1 LEU 51 2HD1 LEU 51 -4.613 5.267 -8.545 418 3HD1 LEU 51 3HD1 LEU 51 -3.247 6.338 -8.860 419 1HD2 LEU 51 1HD2 LEU 51 -2.015 3.507 -9.410 420 2HD2 LEU 51 2HD2 LEU 51 -3.746 3.337 -9.137 421 3HD2 LEU 51 3HD2 LEU 51 -2.601 2.480 -8.099 422 H ASN 52 H ASN 52 1.475 5.459 -7.609 423 HA ASN 52 HA ASN 52 1.863 8.155 -7.057 424 1HB ASN 52 2HB ASN 52 2.948 6.227 -5.907 425 2HB ASN 52 1HB ASN 52 3.915 5.943 -7.348 426 1HD2 ASN 52 1HD2 ASN 52 5.817 7.162 -7.582 427 2HD2 ASN 52 2HD2 ASN 52 6.276 8.412 -6.530 428 H ASP 53 H ASP 53 3.174 6.055 -9.541 429 HA ASP 53 HA ASP 53 4.641 8.049 -10.880 430 1HB ASP 53 2HB ASP 53 5.153 5.618 -10.978 431 2HB ASP 53 1HB ASP 53 3.684 5.385 -11.925 432 H ALA 54 H ALA 54 1.442 6.644 -11.284 433 HA ALA 54 HA ALA 54 0.887 7.794 -13.840 434 1HB ALA 54 1HB ALA 54 -0.895 6.703 -11.682 435 2HB ALA 54 2HB ALA 54 -0.276 5.833 -13.093 436 3HB ALA 54 3HB ALA 54 -1.449 7.134 -13.300 437 H GLN 55 H GLN 55 0.034 8.794 -10.509 438 HA GLN 55 HA GLN 55 -1.573 10.994 -11.542 439 1HB GLN 55 2HB GLN 55 -0.695 10.207 -8.766 440 2HB GLN 55 1HB GLN 55 -1.823 11.503 -9.140 441 1HG GLN 55 2HG GLN 55 -3.375 9.919 -10.151 442 2HG GLN 55 1HG GLN 55 -2.235 8.598 -9.878 443 1HE2 GLN 55 1HE2 GLN 55 -1.876 10.712 -7.303 444 2HE2 GLN 55 2HE2 GLN 55 -2.925 9.937 -6.211 445 H ALA 56 H ALA 56 1.390 10.495 -9.749 446 HA ALA 56 HA ALA 56 3.056 11.961 -9.072 447 1HB ALA 56 1HB ALA 56 3.461 11.462 -11.546 448 2HB ALA 56 2HB ALA 56 4.248 12.898 -10.897 449 3HB ALA 56 3HB ALA 56 2.788 13.058 -11.873 450 HA PRO 57 HA PRO 57 -0.574 15.233 -8.579 451 1HB PRO 57 2HB PRO 57 0.355 15.283 -5.832 452 2HB PRO 57 1HB PRO 57 -1.201 14.716 -6.466 453 1HG PRO 57 2HG PRO 57 1.284 13.205 -5.928 454 2HG PRO 57 1HG PRO 57 -0.407 12.679 -5.796 455 1HD PRO 57 2HD PRO 57 0.992 11.778 -7.830 456 2HD PRO 57 1HD PRO 57 -0.606 12.463 -8.151 457 H LYS 58 H LYS 58 0.596 16.784 -9.808 458 HA LYS 58 HA LYS 58 2.230 18.630 -8.224 459 1HB LYS 58 2HB LYS 58 3.191 17.302 -10.775 460 2HB LYS 58 1HB LYS 58 3.883 18.795 -10.146 461 1HG LYS 58 2HG LYS 58 4.469 17.665 -8.046 462 2HG LYS 58 1HG LYS 58 3.736 16.173 -8.627 463 1HD LYS 58 2HD LYS 58 5.702 17.338 -10.486 464 2HD LYS 58 1HD LYS 58 6.391 16.833 -8.943 465 1HE LYS 58 2HE LYS 58 4.730 15.111 -10.812 466 2HE LYS 58 1HE LYS 58 6.466 14.974 -10.541 467 1HZ LYS 58 1HZ LYS 58 5.654 14.778 -8.057 468 2HZ LYS 58 2HZ LYS 58 5.729 13.422 -9.078 469 3HZ LYS 58 3HZ LYS 58 4.245 14.201 -8.804 Start of MODEL 20 1 1H VAL 1 1HT VAL 1 2.491 -14.072 15.808 2 2H VAL 1 2HT VAL 1 3.570 -12.976 16.528 3 3H VAL 1 3HT VAL 1 2.578 -12.475 15.243 4 HA VAL 1 HA VAL 1 1.555 -13.393 17.871 5 HB VAL 1 HB VAL 1 1.071 -10.966 18.262 6 1HG1 VAL 1 1HG1 VAL 1 3.314 -10.384 18.960 7 2HG1 VAL 1 2HG1 VAL 1 4.021 -11.504 17.796 8 3HG1 VAL 1 3HG1 VAL 1 3.114 -12.123 19.177 9 1HG2 VAL 1 1HG2 VAL 1 2.308 -9.298 16.886 10 2HG2 VAL 1 2HG2 VAL 1 1.126 -10.186 15.926 11 3HG2 VAL 1 3HG2 VAL 1 2.838 -10.593 15.812 12 H ASP 2 H ASP 2 1.087 -12.252 14.612 13 HA ASP 2 HA ASP 2 -1.785 -12.898 14.787 14 1HB ASP 2 2HB ASP 2 -2.450 -10.898 13.703 15 2HB ASP 2 1HB ASP 2 -1.321 -10.373 14.948 16 H ASN 3 H ASN 3 -2.466 -12.300 12.193 17 HA ASN 3 HA ASN 3 -1.445 -14.530 10.740 18 1HB ASN 3 2HB ASN 3 -3.034 -12.150 9.734 19 2HB ASN 3 1HB ASN 3 -2.835 -13.690 8.901 20 1HD2 ASN 3 1HD2 ASN 3 -5.227 -12.176 10.332 21 2HD2 ASN 3 2HD2 ASN 3 -5.958 -13.424 11.220 22 H LYS 4 H LYS 4 -0.785 -13.997 8.289 23 HA LYS 4 HA LYS 4 1.762 -12.688 8.460 24 1HB LYS 4 2HB LYS 4 0.321 -13.774 6.038 25 2HB LYS 4 1HB LYS 4 2.016 -13.300 6.095 26 1HG LYS 4 2HG LYS 4 2.403 -15.012 7.876 27 2HG LYS 4 1HG LYS 4 0.729 -15.537 7.695 28 1HD LYS 4 2HD LYS 4 1.181 -16.018 5.283 29 2HD LYS 4 1HD LYS 4 2.874 -15.599 5.548 30 1HE LYS 4 2HE LYS 4 3.054 -17.394 7.240 31 2HE LYS 4 1HE LYS 4 1.363 -17.818 6.966 32 1HZ LYS 4 1HZ LYS 4 3.562 -17.939 4.975 33 2HZ LYS 4 2HZ LYS 4 1.926 -18.233 4.624 34 3HZ LYS 4 3HZ LYS 4 2.767 -19.259 5.685 35 H PHE 5 H PHE 5 -1.158 -11.420 8.365 36 HA PHE 5 HA PHE 5 -1.320 -9.610 6.267 37 1HB PHE 5 2HB PHE 5 -2.278 -9.644 9.102 38 2HB PHE 5 1HB PHE 5 -2.447 -8.185 8.137 39 HD1 PHE 5 1HD PHE 5 -4.661 -7.973 7.512 40 HD2 PHE 5 2HD PHE 5 -2.748 -11.828 7.251 41 HE1 PHE 5 1HE PHE 5 -6.697 -8.894 6.456 42 HE2 PHE 5 2HE PHE 5 -4.812 -12.749 6.183 43 HZ PHE 5 HZ PHE 5 -6.772 -11.263 5.786 44 H ASN 6 H ASN 6 -0.162 -8.932 9.584 45 HA ASN 6 HA ASN 6 0.569 -6.300 9.098 46 1HB ASN 6 2HB ASN 6 1.704 -8.272 11.068 47 2HB ASN 6 1HB ASN 6 2.054 -6.548 11.080 48 1HD2 ASN 6 1HD2 ASN 6 0.791 -7.652 13.329 49 2HD2 ASN 6 2HD2 ASN 6 -0.825 -7.136 13.389 50 H LYS 7 H LYS 7 2.674 -9.194 8.970 51 HA LYS 7 HA LYS 7 5.011 -7.792 8.318 52 1HB LYS 7 2HB LYS 7 5.200 -10.045 9.028 53 2HB LYS 7 1HB LYS 7 4.135 -10.620 7.753 54 1HG LYS 7 2HG LYS 7 6.515 -11.110 7.240 55 2HG LYS 7 1HG LYS 7 5.809 -10.028 6.048 56 1HD LYS 7 2HD LYS 7 7.926 -9.077 6.540 57 2HD LYS 7 1HD LYS 7 6.798 -8.101 7.469 58 1HE LYS 7 2HE LYS 7 7.263 -9.747 9.404 59 2HE LYS 7 1HE LYS 7 8.644 -10.274 8.440 60 1HZ LYS 7 1HZ LYS 7 9.422 -7.982 8.381 61 2HZ LYS 7 2HZ LYS 7 9.281 -8.538 9.981 62 3HZ LYS 7 3HZ LYS 7 8.106 -7.493 9.335 63 H GLU 8 H GLU 8 2.467 -9.155 6.263 64 HA GLU 8 HA GLU 8 3.757 -8.508 3.785 65 1HB GLU 8 2HB GLU 8 1.995 -10.249 4.110 66 2HB GLU 8 1HB GLU 8 0.821 -8.974 4.429 67 1HG GLU 8 2HG GLU 8 0.704 -8.341 2.249 68 2HG GLU 8 1HG GLU 8 2.394 -8.711 1.921 69 H ARG 9 H ARG 9 1.540 -6.902 5.943 70 HA ARG 9 HA ARG 9 0.957 -4.686 4.284 71 1HB ARG 9 2HB ARG 9 0.460 -5.299 7.190 72 2HB ARG 9 1HB ARG 9 0.012 -3.756 6.464 73 1HG ARG 9 2HG ARG 9 -1.471 -4.802 4.923 74 2HG ARG 9 1HG ARG 9 -0.868 -6.407 5.289 75 1HD ARG 9 2HD ARG 9 -2.969 -6.167 6.424 76 2HD ARG 9 1HD ARG 9 -1.713 -6.065 7.655 77 HE ARG 9 HE ARG 9 -2.871 -3.602 6.490 78 1HH1 ARG 9 1HH1 ARG 9 -0.863 -4.157 8.911 79 2HH1 ARG 9 2HH1 ARG 9 -1.883 -3.667 10.221 80 1HH2 ARG 9 1HH2 ARG 9 -4.767 -3.618 8.303 81 2HH2 ARG 9 2HH2 ARG 9 -4.093 -3.360 9.877 82 H VAL 10 H VAL 10 3.344 -5.318 6.802 83 HA VAL 10 HA VAL 10 4.106 -2.643 7.330 84 HB VAL 10 HB VAL 10 5.985 -5.022 7.400 85 1HG1 VAL 10 1HG1 VAL 10 7.331 -3.687 8.864 86 2HG1 VAL 10 2HG1 VAL 10 6.059 -2.482 9.051 87 3HG1 VAL 10 3HG1 VAL 10 6.905 -2.635 7.510 88 1HG2 VAL 10 1HG2 VAL 10 5.222 -4.430 10.024 89 2HG2 VAL 10 2HG2 VAL 10 4.779 -5.853 9.084 90 3HG2 VAL 10 3HG2 VAL 10 3.711 -4.441 9.115 91 H ILE 11 H ILE 11 5.354 -5.145 5.308 92 HA ILE 11 HA ILE 11 7.449 -3.765 4.122 93 HB ILE 11 HB ILE 11 5.704 -6.037 3.152 94 1HG1 ILE 11 2HG1 ILE 11 8.448 -6.130 4.450 95 2HG1 ILE 11 1HG1 ILE 11 6.946 -6.301 5.368 96 1HG2 ILE 11 1HG2 ILE 11 7.418 -6.572 1.579 97 2HG2 ILE 11 2HG2 ILE 11 8.490 -5.321 2.220 98 3HG2 ILE 11 3HG2 ILE 11 7.023 -4.861 1.347 99 1HD1 ILE 11 1HD1 ILE 11 7.522 -8.032 2.950 100 2HD1 ILE 11 2HD1 ILE 11 6.378 -8.328 4.265 101 3HD1 ILE 11 3HD1 ILE 11 8.113 -8.472 4.556 102 H ALA 12 H ALA 12 4.150 -4.376 3.060 103 HA ALA 12 HA ALA 12 4.273 -2.868 0.665 104 1HB ALA 12 1HB ALA 12 2.193 -4.171 2.342 105 2HB ALA 12 2HB ALA 12 2.661 -4.456 0.642 106 3HB ALA 12 3HB ALA 12 1.699 -3.037 1.061 107 H ILE 13 H ILE 13 2.811 -2.108 3.860 108 HA ILE 13 HA ILE 13 1.785 0.399 3.118 109 HB ILE 13 HB ILE 13 1.256 -0.863 5.263 110 1HG1 ILE 13 2HG1 ILE 13 1.778 2.010 4.916 111 2HG1 ILE 13 1HG1 ILE 13 0.327 1.197 5.470 112 1HG2 ILE 13 1HG2 ILE 13 2.749 -0.815 7.105 113 2HG2 ILE 13 2HG2 ILE 13 3.763 0.427 6.369 114 3HG2 ILE 13 3HG2 ILE 13 3.775 -1.205 5.739 115 1HD1 ILE 13 1HD1 ILE 13 1.155 2.504 7.308 116 2HD1 ILE 13 2HD1 ILE 13 2.791 1.878 7.077 117 3HD1 ILE 13 3HD1 ILE 13 1.513 0.813 7.669 118 H GLY 14 H GLY 14 4.874 -0.738 4.209 119 1HA GLY 14 2HA GLY 14 6.129 1.714 4.654 120 2HA GLY 14 1HA GLY 14 6.942 0.173 4.332 121 H GLU 15 H GLU 15 5.716 -0.398 1.755 122 HA GLU 15 HA GLU 15 7.398 1.157 0.080 123 1HB GLU 15 2HB GLU 15 5.051 -0.664 -0.523 124 2HB GLU 15 1HB GLU 15 6.151 0.004 -1.730 125 1HG GLU 15 2HG GLU 15 6.579 -2.202 0.215 126 2HG GLU 15 1HG GLU 15 7.138 -2.056 -1.429 127 H ILE 16 H ILE 16 3.945 0.993 0.679 128 HA ILE 16 HA ILE 16 3.190 2.935 -1.202 129 HB ILE 16 HB ILE 16 1.782 1.649 1.116 130 1HG1 ILE 16 2HG1 ILE 16 1.788 1.284 -1.880 131 2HG1 ILE 16 1HG1 ILE 16 2.611 0.266 -0.728 132 1HG2 ILE 16 1HG2 ILE 16 0.134 2.820 -1.067 133 2HG2 ILE 16 2HG2 ILE 16 0.869 4.005 0.017 134 3HG2 ILE 16 3HG2 ILE 16 -0.166 2.739 0.679 135 1HD1 ILE 16 1HD1 ILE 16 0.761 -0.995 -0.814 136 2HD1 ILE 16 2HD1 ILE 16 -0.198 0.316 -1.526 137 3HD1 ILE 16 3HD1 ILE 16 0.048 0.242 0.229 138 H MET 17 H MET 17 3.830 3.151 2.241 139 HA MET 17 HA MET 17 2.940 5.835 2.558 140 1HB MET 17 2HB MET 17 4.757 4.031 4.174 141 2HB MET 17 1HB MET 17 4.405 5.698 4.661 142 1HG MET 17 2HG MET 17 2.281 3.623 4.072 143 2HG MET 17 1HG MET 17 2.860 3.988 5.693 144 1HE MET 17 1HE MET 17 0.020 3.988 5.377 145 2HE MET 17 2HE MET 17 -0.024 4.306 3.647 146 3HE MET 17 3HE MET 17 -0.856 5.397 4.757 147 H ARG 18 H ARG 18 5.821 4.380 1.306 148 HA ARG 18 HA ARG 18 7.601 6.593 1.588 149 1HB ARG 18 2HB ARG 18 8.395 4.296 1.230 150 2HB ARG 18 1HB ARG 18 7.616 4.263 -0.348 151 1HG ARG 18 2HG ARG 18 9.051 6.191 -1.050 152 2HG ARG 18 1HG ARG 18 9.895 6.074 0.497 153 1HD ARG 18 2HD ARG 18 10.486 3.720 -0.040 154 2HD ARG 18 1HD ARG 18 9.696 3.899 -1.605 155 HE ARG 18 HE ARG 18 12.258 5.057 -0.801 156 1HH1 ARG 18 1HH1 ARG 18 10.543 7.116 -2.259 157 2HH1 ARG 18 2HH1 ARG 18 11.044 6.882 -3.900 158 1HH2 ARG 18 1HH2 ARG 18 12.523 3.810 -3.282 159 2HH2 ARG 18 2HH2 ARG 18 12.165 5.010 -4.479 160 H LEU 19 H LEU 19 5.277 5.547 -0.827 161 HA LEU 19 HA LEU 19 5.917 6.930 -3.062 162 1HB LEU 19 2HB LEU 19 3.129 6.670 -1.941 163 2HB LEU 19 1HB LEU 19 3.580 6.842 -3.639 164 HG LEU 19 HG LEU 19 4.373 4.540 -1.833 165 1HD1 LEU 19 1HD1 LEU 19 1.992 4.483 -2.537 166 2HD1 LEU 19 2HD1 LEU 19 2.942 3.159 -3.206 167 3HD1 LEU 19 3HD1 LEU 19 2.523 4.540 -4.219 168 1HD2 LEU 19 1HD2 LEU 19 4.991 3.711 -4.316 169 2HD2 LEU 19 2HD2 LEU 19 6.137 4.545 -3.264 170 3HD2 LEU 19 3HD2 LEU 19 5.267 5.447 -4.512 171 HA PRO 20 HA PRO 20 5.843 11.134 -1.396 172 1HB PRO 20 2HB PRO 20 7.203 12.030 -3.765 173 2HB PRO 20 1HB PRO 20 7.865 11.808 -2.139 174 1HG PRO 20 2HG PRO 20 8.465 10.294 -4.393 175 2HG PRO 20 1HG PRO 20 8.846 9.878 -2.713 176 1HD PRO 20 2HD PRO 20 6.721 8.812 -4.481 177 2HD PRO 20 1HD PRO 20 7.511 8.066 -3.076 178 H ASN 21 H ASN 21 4.443 9.934 -4.344 179 HA ASN 21 HA ASN 21 3.448 12.594 -5.099 180 1HB ASN 21 2HB ASN 21 2.908 9.929 -6.449 181 2HB ASN 21 1HB ASN 21 2.558 11.526 -7.086 182 1HD2 ASN 21 1HD2 ASN 21 4.626 9.275 -7.832 183 2HD2 ASN 21 2HD2 ASN 21 6.070 10.147 -8.025 184 H LEU 22 H LEU 22 1.872 9.448 -4.588 185 HA LEU 22 HA LEU 22 -0.750 10.106 -4.470 186 1HB LEU 22 2HB LEU 22 0.698 8.319 -2.514 187 2HB LEU 22 1HB LEU 22 -1.042 8.299 -2.814 188 HG LEU 22 HG LEU 22 0.843 8.001 -5.129 189 1HD1 LEU 22 1HD1 LEU 22 0.011 5.803 -3.222 190 2HD1 LEU 22 2HD1 LEU 22 1.641 6.437 -3.430 191 3HD1 LEU 22 3HD1 LEU 22 0.858 5.578 -4.752 192 1HD2 LEU 22 1HD2 LEU 22 -1.981 7.836 -4.613 193 2HD2 LEU 22 2HD2 LEU 22 -1.389 6.250 -5.131 194 3HD2 LEU 22 3HD2 LEU 22 -1.116 7.669 -6.153 195 H ASN 23 H ASN 23 -2.252 10.776 -2.950 196 HA ASN 23 HA ASN 23 -1.195 12.563 -0.870 197 1HB ASN 23 2HB ASN 23 -3.703 13.009 -0.517 198 2HB ASN 23 1HB ASN 23 -3.009 13.560 -2.039 199 1HD2 ASN 23 1HD2 ASN 23 -4.296 13.044 -3.801 200 2HD2 ASN 23 2HD2 ASN 23 -5.304 11.681 -3.906 201 H SER 24 H SER 24 -2.109 12.310 1.348 202 HA SER 24 HA SER 24 -1.498 9.838 2.380 203 1HB SER 24 2HB SER 24 -2.738 10.484 4.391 204 2HB SER 24 1HB SER 24 -1.683 11.767 3.798 205 HG SER 24 HG SER 24 -4.485 11.507 3.385 206 H LEU 25 H LEU 25 -4.631 10.949 1.202 207 HA LEU 25 HA LEU 25 -6.195 8.828 2.204 208 1HB LEU 25 2HB LEU 25 -6.592 10.294 -0.399 209 2HB LEU 25 1HB LEU 25 -7.808 9.449 0.544 210 HG LEU 25 HG LEU 25 -7.138 11.108 2.452 211 1HD1 LEU 25 1HD1 LEU 25 -5.704 12.195 0.100 212 2HD1 LEU 25 2HD1 LEU 25 -5.440 12.500 1.815 213 3HD1 LEU 25 3HD1 LEU 25 -6.707 13.368 0.951 214 1HD2 LEU 25 1HD2 LEU 25 -9.314 11.266 1.616 215 2HD2 LEU 25 2HD2 LEU 25 -8.750 11.587 -0.026 216 3HD2 LEU 25 3HD2 LEU 25 -8.661 12.853 1.201 217 H GLN 26 H GLN 26 -4.587 9.203 -0.963 218 HA GLN 26 HA GLN 26 -5.379 6.683 -1.917 219 1HB GLN 26 2HB GLN 26 -3.135 8.494 -2.619 220 2HB GLN 26 1HB GLN 26 -3.459 7.005 -3.467 221 1HG GLN 26 2HG GLN 26 -5.626 7.733 -4.148 222 2HG GLN 26 1HG GLN 26 -5.600 9.088 -3.017 223 1HE2 GLN 26 1HE2 GLN 26 -5.828 8.880 -6.079 224 2HE2 GLN 26 2HE2 GLN 26 -4.669 9.984 -6.643 225 H VAL 27 H VAL 27 -2.564 7.926 -0.295 226 HA VAL 27 HA VAL 27 -0.945 5.653 -0.239 227 HB VAL 27 HB VAL 27 -1.321 8.067 1.532 228 1HG1 VAL 27 1HG1 VAL 27 0.287 5.664 2.122 229 2HG1 VAL 27 2HG1 VAL 27 -0.398 6.887 3.205 230 3HG1 VAL 27 3HG1 VAL 27 1.095 7.220 2.327 231 1HG2 VAL 27 1HG2 VAL 27 0.686 7.172 -0.531 232 2HG2 VAL 27 2HG2 VAL 27 1.104 8.409 0.653 233 3HG2 VAL 27 3HG2 VAL 27 -0.232 8.675 -0.465 234 H VAL 28 H VAL 28 -3.476 6.860 1.831 235 HA VAL 28 HA VAL 28 -3.386 4.688 3.688 236 HB VAL 28 HB VAL 28 -5.441 6.844 3.352 237 1HG1 VAL 28 1HG1 VAL 28 -4.952 4.785 5.542 238 2HG1 VAL 28 2HG1 VAL 28 -6.352 4.799 4.458 239 3HG1 VAL 28 3HG1 VAL 28 -6.131 6.098 5.636 240 1HG2 VAL 28 1HG2 VAL 28 -4.089 8.070 4.748 241 2HG2 VAL 28 2HG2 VAL 28 -2.817 7.003 4.130 242 3HG2 VAL 28 3HG2 VAL 28 -3.601 6.644 5.671 243 H ALA 29 H ALA 29 -5.169 5.461 0.867 244 HA ALA 29 HA ALA 29 -7.296 3.685 0.940 245 1HB ALA 29 1HB ALA 29 -7.361 3.975 -1.391 246 2HB ALA 29 2HB ALA 29 -5.608 4.191 -1.507 247 3HB ALA 29 3HB ALA 29 -6.621 5.464 -0.805 248 H PHE 30 H PHE 30 -3.934 3.349 0.100 249 HA PHE 30 HA PHE 30 -4.129 0.679 -0.758 250 1HB PHE 30 2HB PHE 30 -1.930 2.557 -0.053 251 2HB PHE 30 1HB PHE 30 -1.618 0.847 -0.306 252 HD1 PHE 30 1HD PHE 30 -2.651 -0.253 -2.388 253 HD2 PHE 30 2HD PHE 30 -2.082 3.962 -1.909 254 HE1 PHE 30 1HE PHE 30 -2.815 0.056 -4.808 255 HE2 PHE 30 2HE PHE 30 -2.328 4.297 -4.314 256 HZ PHE 30 HZ PHE 30 -2.678 2.317 -5.808 257 H ILE 31 H ILE 31 -3.357 2.360 2.311 258 HA ILE 31 HA ILE 31 -2.446 0.079 3.701 259 HB ILE 31 HB ILE 31 -4.299 2.192 4.865 260 1HG1 ILE 31 2HG1 ILE 31 -1.277 2.153 4.932 261 2HG1 ILE 31 1HG1 ILE 31 -2.215 3.162 3.841 262 1HG2 ILE 31 1HG2 ILE 31 -3.099 1.546 6.994 263 2HG2 ILE 31 2HG2 ILE 31 -2.367 0.211 6.106 264 3HG2 ILE 31 3HG2 ILE 31 -4.116 0.273 6.322 265 1HD1 ILE 31 1HD1 ILE 31 -2.521 4.676 5.493 266 2HD1 ILE 31 2HD1 ILE 31 -1.567 3.674 6.581 267 3HD1 ILE 31 3HD1 ILE 31 -3.310 3.448 6.473 268 H ASN 32 H ASN 32 -5.592 1.362 2.906 269 HA ASN 32 HA ASN 32 -7.175 -0.512 4.338 270 1HB ASN 32 2HB ASN 32 -7.600 1.541 2.213 271 2HB ASN 32 1HB ASN 32 -8.893 0.386 2.534 272 1HD2 ASN 32 1HD2 ASN 32 -7.478 3.323 3.578 273 2HD2 ASN 32 2HD2 ASN 32 -8.291 3.457 5.063 274 H SER 33 H SER 33 -5.963 -0.476 0.993 275 HA SER 33 HA SER 33 -7.512 -2.686 0.150 276 1HB SER 33 2HB SER 33 -4.837 -1.819 -0.937 277 2HB SER 33 1HB SER 33 -6.107 -2.710 -1.769 278 HG SER 33 HG SER 33 -6.603 -0.176 -0.644 279 H LEU 34 H LEU 34 -4.350 -2.359 1.673 280 HA LEU 34 HA LEU 34 -3.386 -4.987 1.315 281 1HB LEU 34 2HB LEU 34 -2.897 -3.661 3.961 282 2HB LEU 34 1HB LEU 34 -1.814 -4.646 2.987 283 HG LEU 34 HG LEU 34 -2.592 -1.780 2.578 284 1HD1 LEU 34 1HD1 LEU 34 -0.039 -1.612 2.466 285 2HD1 LEU 34 2HD1 LEU 34 -0.034 -3.244 3.132 286 3HD1 LEU 34 3HD1 LEU 34 -0.762 -1.924 4.046 287 1HD2 LEU 34 1HD2 LEU 34 -1.318 -3.716 0.662 288 2HD2 LEU 34 2HD2 LEU 34 -0.970 -1.992 0.573 289 3HD2 LEU 34 3HD2 LEU 34 -2.622 -2.573 0.347 290 H ARG 35 H ARG 35 -5.376 -3.689 3.972 291 HA ARG 35 HA ARG 35 -5.565 -6.224 5.302 292 1HB ARG 35 2HB ARG 35 -7.246 -5.141 6.723 293 2HB ARG 35 1HB ARG 35 -5.807 -4.150 6.535 294 1HG ARG 35 2HG ARG 35 -6.931 -2.808 4.812 295 2HG ARG 35 1HG ARG 35 -8.386 -3.788 4.989 296 1HD ARG 35 2HD ARG 35 -8.471 -3.106 7.403 297 2HD ARG 35 1HD ARG 35 -7.109 -2.029 7.105 298 HE ARG 35 HE ARG 35 -8.708 -0.530 6.375 299 1HH1 ARG 35 1HH2 ARG 35 -10.792 -2.892 6.941 300 2HH1 ARG 35 2HH2 ARG 35 -11.720 -2.779 5.483 301 1HH2 ARG 35 1HH1 ARG 35 -9.426 -0.759 3.869 302 2HH2 ARG 35 2HH1 ARG 35 -10.945 -1.575 3.744 303 H ASP 36 H ASP 36 -7.457 -4.511 2.931 304 HA ASP 36 HA ASP 36 -9.743 -6.202 2.976 305 1HB ASP 36 2HB ASP 36 -8.570 -4.374 0.854 306 2HB ASP 36 1HB ASP 36 -10.095 -5.232 0.653 307 H ASP 37 H ASP 37 -6.529 -6.445 1.854 308 HA ASP 37 HA ASP 37 -6.753 -9.185 1.139 309 1HB ASP 37 2HB ASP 37 -7.862 -7.974 -0.839 310 2HB ASP 37 1HB ASP 37 -6.250 -7.411 -1.242 311 HA PRO 38 HA PRO 38 -2.488 -7.787 2.104 312 1HB PRO 38 2HB PRO 38 -1.992 -10.381 3.256 313 2HB PRO 38 1HB PRO 38 -2.136 -8.822 4.078 314 1HG PRO 38 2HG PRO 38 -3.933 -10.928 4.218 315 2HG PRO 38 1HG PRO 38 -4.217 -9.263 4.731 316 1HD PRO 38 2HD PRO 38 -5.209 -10.669 2.327 317 2HD PRO 38 1HD PRO 38 -5.870 -9.245 3.160 318 H SER 39 H SER 39 -3.586 -10.840 0.727 319 HA SER 39 HA SER 39 -1.154 -11.730 -0.385 320 1HB SER 39 2HB SER 39 -3.930 -12.109 -1.547 321 2HB SER 39 1HB SER 39 -2.514 -13.111 -1.841 322 HG SER 39 HG SER 39 -3.725 -12.681 0.694 323 H GLN 40 H GLN 40 -3.492 -9.328 -1.264 324 HA GLN 40 HA GLN 40 -2.212 -8.827 -3.830 325 1HB GLN 40 2HB GLN 40 -4.711 -7.709 -2.567 326 2HB GLN 40 1HB GLN 40 -4.073 -7.158 -4.114 327 1HG GLN 40 2HG GLN 40 -4.710 -10.058 -3.522 328 2HG GLN 40 1HG GLN 40 -5.857 -8.954 -4.278 329 1HE2 GLN 40 1HE2 GLN 40 -3.464 -11.218 -4.991 330 2HE2 GLN 40 2HE2 GLN 40 -3.100 -10.715 -6.570 331 H SER 41 H SER 41 -1.423 -8.021 -0.785 332 HA SER 41 HA SER 41 -1.188 -5.203 -0.744 333 1HB SER 41 2HB SER 41 0.489 -5.490 0.951 334 2HB SER 41 1HB SER 41 -0.603 -6.849 1.175 335 HG SER 41 HG SER 41 0.843 -8.175 0.198 336 H ALA 42 H ALA 42 0.700 -7.762 -2.149 337 HA ALA 42 HA ALA 42 2.920 -6.433 -3.111 338 1HB ALA 42 1HB ALA 42 3.131 -8.296 -4.629 339 2HB ALA 42 2HB ALA 42 1.409 -8.665 -4.463 340 3HB ALA 42 3HB ALA 42 2.506 -8.911 -3.097 341 H ASN 43 H ASN 43 -0.238 -7.019 -4.545 342 HA ASN 43 HA ASN 43 0.247 -5.753 -7.049 343 1HB ASN 43 2HB ASN 43 -2.151 -6.648 -5.502 344 2HB ASN 43 1HB ASN 43 -2.295 -5.871 -7.076 345 1HD2 ASN 43 1HD2 ASN 43 -1.258 -8.817 -5.429 346 2HD2 ASN 43 2HD2 ASN 43 -1.004 -9.732 -6.835 347 H LEU 44 H LEU 44 -1.196 -4.910 -4.015 348 HA LEU 44 HA LEU 44 -2.309 -2.427 -4.780 349 1HB LEU 44 2HB LEU 44 -1.657 -3.722 -2.163 350 2HB LEU 44 1HB LEU 44 -2.507 -2.186 -2.275 351 HG LEU 44 HG LEU 44 -3.383 -4.593 -3.832 352 1HD1 LEU 44 1HD1 LEU 44 -3.940 -3.903 -0.980 353 2HD1 LEU 44 2HD1 LEU 44 -3.718 -5.481 -1.729 354 3HD1 LEU 44 3HD1 LEU 44 -5.229 -4.608 -1.955 355 1HD2 LEU 44 1HD2 LEU 44 -4.184 -2.564 -4.683 356 2HD2 LEU 44 2HD2 LEU 44 -4.536 -1.940 -3.055 357 3HD2 LEU 44 3HD2 LEU 44 -5.520 -3.242 -3.740 358 H LEU 45 H LEU 45 0.537 -3.312 -2.995 359 HA LEU 45 HA LEU 45 1.416 -0.629 -2.741 360 1HB LEU 45 2HB LEU 45 2.730 -1.578 -1.175 361 2HB LEU 45 1HB LEU 45 2.086 -3.119 -1.619 362 HG LEU 45 HG LEU 45 4.544 -3.026 -1.544 363 1HD1 LEU 45 1HD1 LEU 45 3.896 -3.559 -4.389 364 2HD1 LEU 45 2HD1 LEU 45 2.975 -4.434 -3.158 365 3HD1 LEU 45 3HD1 LEU 45 4.733 -4.559 -3.204 366 1HD2 LEU 45 1HD2 LEU 45 4.668 -1.573 -4.115 367 2HD2 LEU 45 2HD2 LEU 45 5.764 -1.570 -2.751 368 3HD2 LEU 45 3HD2 LEU 45 4.284 -0.603 -2.679 369 H ALA 46 H ALA 46 1.658 -3.144 -5.040 370 HA ALA 46 HA ALA 46 3.631 -1.944 -6.772 371 1HB ALA 46 1HB ALA 46 3.147 -4.275 -7.106 372 2HB ALA 46 2HB ALA 46 2.523 -3.417 -8.513 373 3HB ALA 46 3HB ALA 46 1.420 -3.940 -7.245 374 H GLU 47 H GLU 47 0.103 -1.991 -6.553 375 HA GLU 47 HA GLU 47 -0.556 -0.448 -8.804 376 1HB GLU 47 2HB GLU 47 -1.762 -1.286 -6.237 377 2HB GLU 47 1HB GLU 47 -2.506 0.106 -7.019 378 1HG GLU 47 2HG GLU 47 -3.056 -1.155 -8.953 379 2HG GLU 47 1HG GLU 47 -1.971 -2.468 -8.504 380 H ALA 48 H ALA 48 0.127 0.246 -5.482 381 HA ALA 48 HA ALA 48 -0.332 2.992 -5.429 382 1HB ALA 48 1HB ALA 48 1.847 1.677 -3.870 383 2HB ALA 48 2HB ALA 48 0.168 1.278 -3.540 384 3HB ALA 48 3HB ALA 48 0.729 2.941 -3.361 385 H LYS 49 H LYS 49 2.620 1.126 -6.042 386 HA LYS 49 HA LYS 49 4.294 3.365 -6.534 387 1HB LYS 49 2HB LYS 49 4.448 0.472 -7.409 388 2HB LYS 49 1HB LYS 49 5.672 1.661 -7.858 389 1HG LYS 49 2HG LYS 49 6.033 2.179 -5.462 390 2HG LYS 49 1HG LYS 49 4.847 0.953 -5.026 391 1HD LYS 49 2HD LYS 49 6.234 -0.784 -6.092 392 2HD LYS 49 1HD LYS 49 7.417 0.442 -6.558 393 1HE LYS 49 2HE LYS 49 8.201 0.706 -4.407 394 2HE LYS 49 1HE LYS 49 6.640 0.327 -3.684 395 1HZ LYS 49 1HZ LYS 49 8.556 -1.592 -4.887 396 2HZ LYS 49 2HZ LYS 49 6.990 -2.004 -4.373 397 3HZ LYS 49 3HZ LYS 49 8.141 -1.459 -3.248 398 H LYS 50 H LYS 50 2.048 1.483 -8.479 399 HA LYS 50 HA LYS 50 2.758 2.700 -10.968 400 1HB LYS 50 2HB LYS 50 0.412 1.049 -10.035 401 2HB LYS 50 1HB LYS 50 0.428 1.794 -11.634 402 1HG LYS 50 2HG LYS 50 2.688 0.689 -12.006 403 2HG LYS 50 1HG LYS 50 2.416 -0.208 -10.517 404 1HD LYS 50 2HD LYS 50 0.447 -0.225 -12.821 405 2HD LYS 50 1HD LYS 50 1.750 -1.401 -12.675 406 1HE LYS 50 2HE LYS 50 0.179 -2.596 -11.520 407 2HE LYS 50 1HE LYS 50 0.681 -1.571 -10.178 408 1HZ LYS 50 1HZ LYS 50 -1.602 -1.096 -12.016 409 2HZ LYS 50 2HZ LYS 50 -1.083 -0.000 -10.826 410 3HZ LYS 50 3HZ LYS 50 -1.693 -1.521 -10.376 411 H LEU 51 H LEU 51 0.403 3.368 -8.406 412 HA LEU 51 HA LEU 51 -0.961 5.482 -9.767 413 1HB LEU 51 2HB LEU 51 -0.898 4.385 -7.021 414 2HB LEU 51 1HB LEU 51 -1.367 6.067 -7.188 415 HG LEU 51 HG LEU 51 -2.997 5.377 -8.933 416 1HD1 LEU 51 1HD1 LEU 51 -3.547 3.022 -9.165 417 2HD1 LEU 51 2HD1 LEU 51 -2.367 2.594 -7.922 418 3HD1 LEU 51 3HD1 LEU 51 -1.820 3.249 -9.476 419 1HD2 LEU 51 1HD2 LEU 51 -3.395 4.091 -6.235 420 2HD2 LEU 51 2HD2 LEU 51 -4.660 4.619 -7.335 421 3HD2 LEU 51 3HD2 LEU 51 -3.610 5.811 -6.559 422 H ASN 52 H ASN 52 1.680 5.278 -7.500 423 HA ASN 52 HA ASN 52 2.005 7.998 -6.958 424 1HB ASN 52 2HB ASN 52 3.103 6.151 -5.733 425 2HB ASN 52 1HB ASN 52 4.083 5.795 -7.152 426 1HD2 ASN 52 1HD2 ASN 52 6.000 6.988 -7.413 427 2HD2 ASN 52 2HD2 ASN 52 6.447 8.295 -6.427 428 H ASP 53 H ASP 53 3.400 5.877 -9.364 429 HA ASP 53 HA ASP 53 4.784 7.884 -10.786 430 1HB ASP 53 2HB ASP 53 4.002 5.071 -11.533 431 2HB ASP 53 1HB ASP 53 5.110 6.078 -12.462 432 H ALA 54 H ALA 54 1.680 6.252 -11.169 433 HA ALA 54 HA ALA 54 1.059 7.273 -13.764 434 1HB ALA 54 1HB ALA 54 -1.239 6.463 -13.202 435 2HB ALA 54 2HB ALA 54 -0.655 6.098 -11.580 436 3HB ALA 54 3HB ALA 54 0.020 5.252 -12.975 437 H GLN 55 H GLN 55 0.118 8.306 -10.491 438 HA GLN 55 HA GLN 55 -1.701 10.306 -11.529 439 1HB GLN 55 2HB GLN 55 -0.627 9.737 -8.766 440 2HB GLN 55 1HB GLN 55 -1.895 10.894 -9.135 441 1HG GLN 55 2HG GLN 55 -3.324 9.107 -10.005 442 2HG GLN 55 1HG GLN 55 -2.043 7.924 -9.732 443 1HE2 GLN 55 1HE2 GLN 55 -1.846 10.212 -7.266 444 2HE2 GLN 55 2HE2 GLN 55 -2.742 9.358 -6.097 445 H ALA 56 H ALA 56 1.373 10.160 -9.866 446 HA ALA 56 HA ALA 56 2.889 11.826 -9.285 447 1HB ALA 56 1HB ALA 56 3.887 12.875 -11.239 448 2HB ALA 56 2HB ALA 56 2.454 12.514 -12.203 449 3HB ALA 56 3HB ALA 56 3.476 11.202 -11.615 450 HA PRO 57 HA PRO 57 -1.015 14.720 -8.891 451 1HB PRO 57 2HB PRO 57 0.084 15.155 -6.242 452 2HB PRO 57 1HB PRO 57 -1.440 14.368 -6.699 453 1HG PRO 57 2HG PRO 57 1.228 13.180 -6.208 454 2HG PRO 57 1HG PRO 57 -0.388 12.496 -5.922 455 1HD PRO 57 2HD PRO 57 0.980 11.565 -7.967 456 2HD PRO 57 1HD PRO 57 -0.703 12.050 -8.234 457 H LYS 58 H LYS 58 -0.849 16.721 -9.575 458 HA LYS 58 HA LYS 58 1.353 18.476 -8.718 459 1HB LYS 58 2HB LYS 58 0.676 17.760 -11.570 460 2HB LYS 58 1HB LYS 58 1.391 19.323 -11.177 461 1HG LYS 58 2HG LYS 58 3.310 18.236 -10.137 462 2HG LYS 58 1HG LYS 58 2.586 16.651 -10.381 463 1HD LYS 58 2HD LYS 58 2.748 18.245 -12.849 464 2HD LYS 58 1HD LYS 58 4.323 17.892 -12.140 465 1HE LYS 58 2HE LYS 58 3.808 15.497 -12.104 466 2HE LYS 58 1HE LYS 58 2.185 15.816 -12.720 467 1HZ LYS 58 1HZ LYS 58 3.122 16.687 -14.736 468 2HZ LYS 58 2HZ LYS 58 3.751 15.134 -14.462 469 3HZ LYS 58 3HZ LYS 58 4.700 16.506 -14.141 Start of MODEL 21 1 1H VAL 1 1HT VAL 1 -4.533 -10.615 15.176 2 2H VAL 1 2HT VAL 1 -4.129 -9.919 13.680 3 3H VAL 1 3HT VAL 1 -4.275 -8.944 15.063 4 HA VAL 1 HA VAL 1 -1.946 -9.402 14.394 5 HB VAL 1 HB VAL 1 -1.245 -10.113 16.732 6 1HG1 VAL 1 1HG1 VAL 1 -1.659 -7.750 16.121 7 2HG1 VAL 1 2HG1 VAL 1 -2.129 -8.074 17.788 8 3HG1 VAL 1 3HG1 VAL 1 -3.363 -7.944 16.535 9 1HG2 VAL 1 1HG2 VAL 1 -4.259 -10.210 17.150 10 2HG2 VAL 1 2HG2 VAL 1 -3.043 -10.323 18.421 11 3HG2 VAL 1 3HG2 VAL 1 -3.171 -11.597 17.212 12 H ASP 2 H ASP 2 -3.954 -12.159 15.205 13 HA ASP 2 HA ASP 2 -2.020 -14.204 15.158 14 1HB ASP 2 2HB ASP 2 -3.903 -15.710 14.811 15 2HB ASP 2 1HB ASP 2 -4.352 -14.469 15.978 16 H ASN 3 H ASN 3 -3.792 -12.575 12.598 17 HA ASN 3 HA ASN 3 -3.009 -14.366 10.497 18 1HB ASN 3 2HB ASN 3 -3.997 -11.514 10.256 19 2HB ASN 3 1HB ASN 3 -4.032 -12.764 9.015 20 1HD2 ASN 3 1HD2 ASN 3 -5.247 -14.889 9.868 21 2HD2 ASN 3 2HD2 ASN 3 -6.706 -14.589 10.682 22 H LYS 4 H LYS 4 -1.641 -13.828 8.708 23 HA LYS 4 HA LYS 4 0.840 -12.589 9.524 24 1HB LYS 4 2HB LYS 4 0.085 -13.823 6.869 25 2HB LYS 4 1HB LYS 4 1.712 -13.392 7.386 26 1HG LYS 4 2HG LYS 4 1.505 -14.982 9.297 27 2HG LYS 4 1HG LYS 4 -0.079 -15.469 8.692 28 1HD LYS 4 2HD LYS 4 1.006 -16.130 6.528 29 2HD LYS 4 1HD LYS 4 2.576 -15.769 7.248 30 1HE LYS 4 2HE LYS 4 2.265 -17.478 8.940 31 2HE LYS 4 1HE LYS 4 0.601 -17.752 8.422 32 1HZ LYS 4 1HZ LYS 4 1.440 -19.306 7.095 33 2HZ LYS 4 2HZ LYS 4 3.038 -18.780 7.331 34 3HZ LYS 4 3HZ LYS 4 2.066 -18.050 6.143 35 H PHE 5 H PHE 5 -1.887 -11.241 8.617 36 HA PHE 5 HA PHE 5 -1.541 -9.653 6.390 37 1HB PHE 5 2HB PHE 5 -2.857 -9.116 9.043 38 2HB PHE 5 1HB PHE 5 -2.834 -7.921 7.762 39 HD1 PHE 5 1HD PHE 5 -3.153 -11.622 7.296 40 HD2 PHE 5 2HD PHE 5 -5.122 -7.792 7.283 41 HE1 PHE 5 1HE PHE 5 -5.186 -12.648 6.301 42 HE2 PHE 5 2HE PHE 5 -7.137 -8.820 6.290 43 HZ PHE 5 HZ PHE 5 -7.171 -11.233 5.796 44 H ASN 6 H ASN 6 -0.812 -8.725 9.756 45 HA ASN 6 HA ASN 6 0.181 -6.204 9.281 46 1HB ASN 6 2HB ASN 6 1.128 -8.149 11.377 47 2HB ASN 6 1HB ASN 6 1.346 -6.403 11.411 48 1HD2 ASN 6 1HD2 ASN 6 -0.418 -8.541 12.998 49 2HD2 ASN 6 2HD2 ASN 6 -1.912 -7.742 13.108 50 H LYS 7 H LYS 7 2.082 -9.234 9.397 51 HA LYS 7 HA LYS 7 4.578 -8.049 9.031 52 1HB LYS 7 2HB LYS 7 4.282 -10.356 9.741 53 2HB LYS 7 1HB LYS 7 3.638 -10.779 8.158 54 1HG LYS 7 2HG LYS 7 5.924 -11.437 8.086 55 2HG LYS 7 1HG LYS 7 5.870 -9.921 7.197 56 1HD LYS 7 2HD LYS 7 6.333 -9.649 10.120 57 2HD LYS 7 1HD LYS 7 7.628 -10.443 9.231 58 1HE LYS 7 2HE LYS 7 6.444 -7.725 8.576 59 2HE LYS 7 1HE LYS 7 8.010 -8.014 9.326 60 1HZ LYS 7 1HZ LYS 7 7.190 -8.332 6.562 61 2HZ LYS 7 2HZ LYS 7 8.211 -9.548 7.169 62 3HZ LYS 7 3HZ LYS 7 8.706 -7.923 7.205 63 H GLU 8 H GLU 8 2.187 -9.179 6.670 64 HA GLU 8 HA GLU 8 3.825 -8.576 4.371 65 1HB GLU 8 2HB GLU 8 1.960 -10.255 4.424 66 2HB GLU 8 1HB GLU 8 0.818 -8.926 4.593 67 1HG GLU 8 2HG GLU 8 0.930 -9.526 2.253 68 2HG GLU 8 1HG GLU 8 1.686 -7.956 2.472 69 H ARG 9 H ARG 9 1.374 -6.962 6.253 70 HA ARG 9 HA ARG 9 0.991 -4.736 4.576 71 1HB ARG 9 2HB ARG 9 0.294 -5.292 7.446 72 2HB ARG 9 1HB ARG 9 -0.047 -3.738 6.686 73 1HG ARG 9 2HG ARG 9 -1.278 -4.918 4.891 74 2HG ARG 9 1HG ARG 9 -1.024 -6.441 5.701 75 1HD ARG 9 2HD ARG 9 -2.591 -4.066 6.728 76 2HD ARG 9 1HD ARG 9 -3.233 -5.637 6.250 77 HE ARG 9 HE ARG 9 -1.469 -6.267 8.230 78 1HH1 ARG 9 1HH2 ARG 9 -1.979 -3.480 9.288 79 2HH1 ARG 9 2HH2 ARG 9 -3.303 -3.749 10.373 80 1HH2 ARG 9 1HH1 ARG 9 -4.096 -6.851 9.050 81 2HH2 ARG 9 2HH1 ARG 9 -4.500 -5.658 10.238 82 H VAL 10 H VAL 10 3.272 -5.412 7.166 83 HA VAL 10 HA VAL 10 4.096 -2.765 7.691 84 HB VAL 10 HB VAL 10 5.953 -5.157 7.692 85 1HG1 VAL 10 1HG1 VAL 10 6.775 -2.691 7.898 86 2HG1 VAL 10 2HG1 VAL 10 7.349 -3.866 9.088 87 3HG1 VAL 10 3HG1 VAL 10 6.053 -2.748 9.511 88 1HG2 VAL 10 1HG2 VAL 10 5.231 -4.754 10.328 89 2HG2 VAL 10 2HG2 VAL 10 4.641 -6.049 9.286 90 3HG2 VAL 10 3HG2 VAL 10 3.699 -4.562 9.475 91 H ILE 11 H ILE 11 5.224 -5.268 5.596 92 HA ILE 11 HA ILE 11 7.315 -3.932 4.331 93 HB ILE 11 HB ILE 11 5.488 -6.130 3.331 94 1HG1 ILE 11 2HG1 ILE 11 8.194 -6.412 4.671 95 2HG1 ILE 11 1HG1 ILE 11 6.677 -6.499 5.573 96 1HG2 ILE 11 1HG2 ILE 11 7.258 -6.718 1.817 97 2HG2 ILE 11 2HG2 ILE 11 8.324 -5.485 2.497 98 3HG2 ILE 11 3HG2 ILE 11 6.892 -5.003 1.581 99 1HD1 ILE 11 1HD1 ILE 11 6.023 -8.489 4.536 100 2HD1 ILE 11 2HD1 ILE 11 7.772 -8.709 4.631 101 3HD1 ILE 11 3HD1 ILE 11 7.030 -8.200 3.112 102 H ALA 12 H ALA 12 3.961 -4.455 3.452 103 HA ALA 12 HA ALA 12 4.000 -3.010 1.026 104 1HB ALA 12 1HB ALA 12 2.372 -4.587 1.165 105 2HB ALA 12 2HB ALA 12 1.445 -3.129 1.523 106 3HB ALA 12 3HB ALA 12 1.971 -4.194 2.843 107 H ILE 13 H ILE 13 2.724 -2.114 4.262 108 HA ILE 13 HA ILE 13 1.755 0.413 3.483 109 HB ILE 13 HB ILE 13 1.231 -0.780 5.661 110 1HG1 ILE 13 2HG1 ILE 13 1.891 2.067 5.261 111 2HG1 ILE 13 1HG1 ILE 13 0.414 1.337 5.869 112 1HG2 ILE 13 1HG2 ILE 13 3.750 -1.245 6.061 113 2HG2 ILE 13 2HG2 ILE 13 2.776 -0.812 7.452 114 3HG2 ILE 13 3HG2 ILE 13 3.826 0.387 6.694 115 1HD1 ILE 13 1HD1 ILE 13 2.958 1.903 7.395 116 2HD1 ILE 13 2HD1 ILE 13 1.645 0.913 8.037 117 3HD1 ILE 13 3HD1 ILE 13 1.365 2.615 7.666 118 H GLY 14 H GLY 14 4.825 -0.811 4.566 119 1HA GLY 14 2HA GLY 14 6.188 1.624 4.837 120 2HA GLY 14 1HA GLY 14 6.931 0.029 4.626 121 H GLU 15 H GLU 15 5.575 -0.622 2.143 122 HA GLU 15 HA GLU 15 7.330 0.646 0.277 123 1HB GLU 15 2HB GLU 15 4.928 -1.156 -0.057 124 2HB GLU 15 1HB GLU 15 5.896 -0.589 -1.410 125 1HG GLU 15 2HG GLU 15 7.472 -1.784 0.774 126 2HG GLU 15 1HG GLU 15 6.344 -2.905 -0.002 127 H ILE 16 H ILE 16 3.844 0.737 0.864 128 HA ILE 16 HA ILE 16 3.312 2.582 -1.172 129 HB ILE 16 HB ILE 16 1.703 1.411 1.043 130 1HG1 ILE 16 2HG1 ILE 16 1.388 1.331 -1.954 131 2HG1 ILE 16 1HG1 ILE 16 2.482 0.258 -1.108 132 1HG2 ILE 16 1HG2 ILE 16 1.044 3.938 0.124 133 2HG2 ILE 16 2HG2 ILE 16 -0.108 2.748 0.716 134 3HG2 ILE 16 3HG2 ILE 16 0.185 2.908 -1.029 135 1HD1 ILE 16 1HD1 ILE 16 0.755 -1.102 -0.725 136 2HD1 ILE 16 2HD1 ILE 16 -0.350 0.069 -1.436 137 3HD1 ILE 16 3HD1 ILE 16 0.039 0.149 0.286 138 H MET 17 H MET 17 3.824 2.970 2.275 139 HA MET 17 HA MET 17 3.068 5.700 2.435 140 1HB MET 17 2HB MET 17 4.824 3.940 4.165 141 2HB MET 17 1HB MET 17 4.498 5.636 4.556 142 1HG MET 17 2HG MET 17 2.319 3.584 4.061 143 2HG MET 17 1HG MET 17 2.926 3.980 5.664 144 1HE MET 17 1HE MET 17 0.107 4.059 5.451 145 2HE MET 17 2HE MET 17 -0.010 4.318 3.716 146 3HE MET 17 3HE MET 17 -0.757 5.472 4.824 147 H ARG 18 H ARG 18 5.847 4.127 1.141 148 HA ARG 18 HA ARG 18 7.762 6.233 1.408 149 1HB ARG 18 2HB ARG 18 8.414 3.909 1.048 150 2HB ARG 18 1HB ARG 18 7.554 3.879 -0.484 151 1HG ARG 18 2HG ARG 18 9.074 5.700 -1.311 152 2HG ARG 18 1HG ARG 18 10.004 5.531 0.182 153 1HD ARG 18 2HD ARG 18 9.444 3.291 -1.776 154 2HD ARG 18 1HD ARG 18 10.953 4.201 -1.705 155 HE ARG 18 HE ARG 18 11.239 3.282 0.587 156 1HH1 ARG 18 1HH2 ARG 18 10.987 1.145 -1.745 157 2HH1 ARG 18 2HH2 ARG 18 10.156 -0.109 -0.886 158 1HH2 ARG 18 1HH1 ARG 18 9.299 1.924 1.781 159 2HH2 ARG 18 2HH1 ARG 18 9.204 0.332 1.107 160 H LEU 19 H LEU 19 5.314 5.350 -0.919 161 HA LEU 19 HA LEU 19 5.966 6.665 -3.197 162 1HB LEU 19 2HB LEU 19 3.211 6.537 -1.975 163 2HB LEU 19 1HB LEU 19 3.606 6.681 -3.691 164 HG LEU 19 HG LEU 19 4.463 4.360 -1.925 165 1HD1 LEU 19 1HD1 LEU 19 2.809 3.015 -2.963 166 2HD1 LEU 19 2HD1 LEU 19 2.397 4.288 -4.115 167 3HD1 LEU 19 3HD1 LEU 19 1.981 4.467 -2.410 168 1HD2 LEU 19 1HD2 LEU 19 4.749 3.505 -4.461 169 2HD2 LEU 19 2HD2 LEU 19 6.036 4.295 -3.542 170 3HD2 LEU 19 3HD2 LEU 19 5.062 5.233 -4.690 171 HA PRO 20 HA PRO 20 6.186 10.902 -1.637 172 1HB PRO 20 2HB PRO 20 7.342 11.713 -4.137 173 2HB PRO 20 1HB PRO 20 8.148 11.477 -2.582 174 1HG PRO 20 2HG PRO 20 8.435 9.915 -4.875 175 2HG PRO 20 1HG PRO 20 9.014 9.527 -3.245 176 1HD PRO 20 2HD PRO 20 6.699 8.442 -4.717 177 2HD PRO 20 1HD PRO 20 7.595 7.756 -3.347 178 H ASN 21 H ASN 21 4.484 9.772 -4.487 179 HA ASN 21 HA ASN 21 3.529 12.501 -5.072 180 1HB ASN 21 2HB ASN 21 2.870 9.924 -6.531 181 2HB ASN 21 1HB ASN 21 2.489 11.552 -7.056 182 1HD2 ASN 21 1HD2 ASN 21 4.410 9.439 -8.213 183 2HD2 ASN 21 2HD2 ASN 21 5.879 10.271 -8.383 184 H LEU 22 H LEU 22 1.902 9.376 -4.716 185 HA LEU 22 HA LEU 22 -0.679 9.953 -4.473 186 1HB LEU 22 2HB LEU 22 0.885 8.229 -2.557 187 2HB LEU 22 1HB LEU 22 -0.871 8.186 -2.736 188 HG LEU 22 HG LEU 22 0.905 7.870 -5.141 189 1HD1 LEU 22 1HD1 LEU 22 0.029 5.692 -3.235 190 2HD1 LEU 22 2HD1 LEU 22 1.676 6.278 -3.460 191 3HD1 LEU 22 3HD1 LEU 22 0.850 5.454 -4.778 192 1HD2 LEU 22 1HD2 LEU 22 -1.099 7.647 -6.105 193 2HD2 LEU 22 2HD2 LEU 22 -1.911 7.806 -4.544 194 3HD2 LEU 22 3HD2 LEU 22 -1.391 6.215 -5.117 195 H ASN 23 H ASN 23 -2.165 10.709 -3.066 196 HA ASN 23 HA ASN 23 -1.206 12.549 -1.002 197 1HB ASN 23 2HB ASN 23 -3.750 12.884 -0.711 198 2HB ASN 23 1HB ASN 23 -3.035 13.440 -2.221 199 1HD2 ASN 23 1HD2 ASN 23 -3.947 12.616 -4.127 200 2HD2 ASN 23 2HD2 ASN 23 -5.004 11.290 -4.187 201 H SER 24 H SER 24 -2.083 12.334 1.208 202 HA SER 24 HA SER 24 -1.456 9.901 2.322 203 1HB SER 24 2HB SER 24 -2.737 10.607 4.305 204 2HB SER 24 1HB SER 24 -1.629 11.840 3.700 205 HG SER 24 HG SER 24 -3.355 13.050 3.654 206 H LEU 25 H LEU 25 -4.581 10.962 1.091 207 HA LEU 25 HA LEU 25 -6.135 8.866 2.165 208 1HB LEU 25 2HB LEU 25 -6.553 10.258 -0.478 209 2HB LEU 25 1HB LEU 25 -7.756 9.427 0.492 210 HG LEU 25 HG LEU 25 -7.120 11.143 2.350 211 1HD1 LEU 25 1HD1 LEU 25 -5.684 12.188 -0.029 212 2HD1 LEU 25 2HD1 LEU 25 -5.399 12.500 1.681 213 3HD1 LEU 25 3HD1 LEU 25 -6.671 13.370 0.829 214 1HD2 LEU 25 1HD2 LEU 25 -8.631 12.849 1.033 215 2HD2 LEU 25 2HD2 LEU 25 -9.284 11.270 1.480 216 3HD2 LEU 25 3HD2 LEU 25 -8.698 11.552 -0.162 217 H GLN 26 H GLN 26 -4.510 9.182 -0.998 218 HA GLN 26 HA GLN 26 -5.269 6.630 -1.894 219 1HB GLN 26 2HB GLN 26 -3.023 8.437 -2.621 220 2HB GLN 26 1HB GLN 26 -3.244 6.875 -3.375 221 1HG GLN 26 2HG GLN 26 -5.499 8.865 -3.213 222 2HG GLN 26 1HG GLN 26 -4.316 8.945 -4.519 223 1HE2 GLN 26 1HE2 GLN 26 -6.123 8.413 -6.025 224 2HE2 GLN 26 2HE2 GLN 26 -6.640 6.805 -6.178 225 H VAL 27 H VAL 27 -2.468 7.918 -0.291 226 HA VAL 27 HA VAL 27 -0.862 5.652 -0.151 227 HB VAL 27 HB VAL 27 -1.260 8.106 1.558 228 1HG1 VAL 27 1HG1 VAL 27 1.156 7.281 2.390 229 2HG1 VAL 27 2HG1 VAL 27 0.350 5.721 2.219 230 3HG1 VAL 27 3HG1 VAL 27 -0.343 6.971 3.267 231 1HG2 VAL 27 1HG2 VAL 27 -0.140 8.736 -0.387 232 2HG2 VAL 27 2HG2 VAL 27 0.691 7.189 -0.533 233 3HG2 VAL 27 3HG2 VAL 27 1.216 8.361 0.675 234 H VAL 28 H VAL 28 -3.423 6.892 1.869 235 HA VAL 28 HA VAL 28 -3.349 4.735 3.746 236 HB VAL 28 HB VAL 28 -5.406 6.889 3.378 237 1HG1 VAL 28 1HG1 VAL 28 -4.886 4.869 5.598 238 2HG1 VAL 28 2HG1 VAL 28 -6.295 4.857 4.526 239 3HG1 VAL 28 3HG1 VAL 28 -6.072 6.176 5.680 240 1HG2 VAL 28 1HG2 VAL 28 -4.040 8.149 4.726 241 2HG2 VAL 28 2HG2 VAL 28 -2.771 7.056 4.148 242 3HG2 VAL 28 3HG2 VAL 28 -3.563 6.749 5.696 243 H ALA 29 H ALA 29 -5.107 5.495 0.897 244 HA ALA 29 HA ALA 29 -7.227 3.702 0.955 245 1HB ALA 29 1HB ALA 29 -5.531 4.227 -1.491 246 2HB ALA 29 2HB ALA 29 -6.556 5.494 -0.793 247 3HB ALA 29 3HB ALA 29 -7.282 3.996 -1.382 248 H PHE 30 H PHE 30 -3.872 3.418 0.110 249 HA PHE 30 HA PHE 30 -3.980 0.755 -0.758 250 1HB PHE 30 2HB PHE 30 -1.893 2.748 -0.059 251 2HB PHE 30 1HB PHE 30 -1.465 1.062 -0.232 252 HD1 PHE 30 1HD PHE 30 -2.041 4.061 -1.956 253 HD2 PHE 30 2HD PHE 30 -2.438 -0.179 -2.319 254 HE1 PHE 30 1HE PHE 30 -2.296 4.317 -4.362 255 HE2 PHE 30 2HE PHE 30 -2.599 0.054 -4.766 256 HZ PHE 30 HZ PHE 30 -2.555 2.300 -5.812 257 H ILE 31 H ILE 31 -3.310 2.424 2.339 258 HA ILE 31 HA ILE 31 -2.369 0.138 3.719 259 HB ILE 31 HB ILE 31 -4.233 2.249 4.873 260 1HG1 ILE 31 2HG1 ILE 31 -1.209 2.183 4.972 261 2HG1 ILE 31 1HG1 ILE 31 -2.130 3.203 3.872 262 1HG2 ILE 31 1HG2 ILE 31 -3.064 1.590 7.012 263 2HG2 ILE 31 2HG2 ILE 31 -2.322 0.256 6.130 264 3HG2 ILE 31 3HG2 ILE 31 -4.074 0.319 6.324 265 1HD1 ILE 31 1HD1 ILE 31 -2.436 4.717 5.521 266 2HD1 ILE 31 2HD1 ILE 31 -1.507 3.703 6.620 267 3HD1 ILE 31 3HD1 ILE 31 -3.253 3.496 6.488 268 H ASN 32 H ASN 32 -5.530 1.379 2.893 269 HA ASN 32 HA ASN 32 -7.107 -0.544 4.284 270 1HB ASN 32 2HB ASN 32 -7.500 1.626 2.326 271 2HB ASN 32 1HB ASN 32 -8.702 0.337 2.252 272 1HD2 ASN 32 1HD2 ASN 32 -7.139 2.601 4.566 273 2HD2 ASN 32 2HD2 ASN 32 -8.465 2.673 5.623 274 H SER 33 H SER 33 -5.828 -0.438 0.966 275 HA SER 33 HA SER 33 -7.300 -2.643 0.012 276 1HB SER 33 2HB SER 33 -4.569 -1.735 -0.881 277 2HB SER 33 1HB SER 33 -5.737 -2.676 -1.803 278 HG SER 33 HG SER 33 -5.527 -0.128 -1.841 279 H LEU 34 H LEU 34 -4.260 -2.388 1.771 280 HA LEU 34 HA LEU 34 -3.317 -5.029 1.374 281 1HB LEU 34 2HB LEU 34 -2.902 -3.773 4.061 282 2HB LEU 34 1HB LEU 34 -1.791 -4.710 3.070 283 HG LEU 34 HG LEU 34 -2.615 -1.845 2.668 284 1HD1 LEU 34 1HD1 LEU 34 -0.927 -1.852 4.272 285 2HD1 LEU 34 2HD1 LEU 34 -0.027 -1.654 2.767 286 3HD1 LEU 34 3HD1 LEU 34 -0.112 -3.235 3.541 287 1HD2 LEU 34 1HD2 LEU 34 -0.652 -2.193 0.868 288 2HD2 LEU 34 2HD2 LEU 34 -2.353 -2.408 0.455 289 3HD2 LEU 34 3HD2 LEU 34 -1.356 -3.809 0.829 290 H ARG 35 H ARG 35 -5.375 -3.726 3.972 291 HA ARG 35 HA ARG 35 -5.687 -6.282 5.240 292 1HB ARG 35 2HB ARG 35 -7.368 -5.179 6.642 293 2HB ARG 35 1HB ARG 35 -5.893 -4.234 6.513 294 1HG ARG 35 2HG ARG 35 -6.949 -2.839 4.763 295 2HG ARG 35 1HG ARG 35 -8.451 -3.738 4.970 296 1HD ARG 35 2HD ARG 35 -8.463 -3.047 7.377 297 2HD ARG 35 1HD ARG 35 -7.033 -2.065 7.067 298 HE ARG 35 HE ARG 35 -8.393 -0.499 6.010 299 1HH1 ARG 35 1HH1 ARG 35 -10.602 -1.366 7.850 300 2HH1 ARG 35 2HH1 ARG 35 -11.901 -1.675 6.747 301 1HH2 ARG 35 1HH2 ARG 35 -9.845 -1.817 3.963 302 2HH2 ARG 35 2HH2 ARG 35 -11.472 -1.931 4.546 303 H ASP 36 H ASP 36 -7.467 -4.453 2.862 304 HA ASP 36 HA ASP 36 -9.787 -6.108 2.805 305 1HB ASP 36 2HB ASP 36 -8.559 -4.198 0.794 306 2HB ASP 36 1HB ASP 36 -10.068 -5.056 0.498 307 H ASP 37 H ASP 37 -6.558 -6.372 1.737 308 HA ASP 37 HA ASP 37 -6.894 -9.071 0.844 309 1HB ASP 37 2HB ASP 37 -7.764 -7.636 -1.103 310 2HB ASP 37 1HB ASP 37 -6.092 -7.155 -1.341 311 HA PRO 38 HA PRO 38 -2.667 -8.012 2.276 312 1HB PRO 38 2HB PRO 38 -2.417 -10.701 3.280 313 2HB PRO 38 1HB PRO 38 -2.530 -9.185 4.190 314 1HG PRO 38 2HG PRO 38 -4.465 -11.171 4.045 315 2HG PRO 38 1HG PRO 38 -4.671 -9.529 4.657 316 1HD PRO 38 2HD PRO 38 -5.591 -10.690 2.103 317 2HD PRO 38 1HD PRO 38 -6.188 -9.262 2.976 318 H SER 39 H SER 39 -3.854 -10.782 0.487 319 HA SER 39 HA SER 39 -1.382 -11.812 -0.431 320 1HB SER 39 2HB SER 39 -4.051 -11.878 -1.868 321 2HB SER 39 1HB SER 39 -2.687 -12.961 -2.121 322 HG SER 39 HG SER 39 -3.112 -13.119 0.403 323 H GLN 40 H GLN 40 -3.482 -9.210 -1.409 324 HA GLN 40 HA GLN 40 -1.945 -8.649 -3.804 325 1HB GLN 40 2HB GLN 40 -4.407 -7.402 -2.602 326 2HB GLN 40 1HB GLN 40 -3.590 -6.723 -4.008 327 1HG GLN 40 2HG GLN 40 -3.851 -8.859 -5.206 328 2HG GLN 40 1HG GLN 40 -4.661 -9.554 -3.809 329 1HE2 GLN 40 1HE2 GLN 40 -5.753 -9.113 -6.545 330 2HE2 GLN 40 2HE2 GLN 40 -7.119 -8.126 -6.345 331 H SER 41 H SER 41 -1.340 -8.074 -0.634 332 HA SER 41 HA SER 41 -0.804 -5.339 -0.396 333 1HB SER 41 2HB SER 41 0.703 -7.695 0.769 334 2HB SER 41 1HB SER 41 0.966 -6.029 1.260 335 HG SER 41 HG SER 41 -0.731 -7.599 2.298 336 H ALA 42 H ALA 42 0.832 -7.908 -1.990 337 HA ALA 42 HA ALA 42 3.269 -6.643 -2.663 338 1HB ALA 42 1HB ALA 42 2.800 -9.113 -2.641 339 2HB ALA 42 2HB ALA 42 3.558 -8.538 -4.128 340 3HB ALA 42 3HB ALA 42 1.818 -8.865 -4.091 341 H ASN 43 H ASN 43 0.188 -7.103 -4.261 342 HA ASN 43 HA ASN 43 0.867 -6.020 -6.811 343 1HB ASN 43 2HB ASN 43 -1.629 -6.641 -5.287 344 2HB ASN 43 1HB ASN 43 -1.690 -5.928 -6.895 345 1HD2 ASN 43 1HD2 ASN 43 -0.210 -7.228 -8.564 346 2HD2 ASN 43 2HD2 ASN 43 -0.311 -8.919 -8.459 347 H LEU 44 H LEU 44 -0.629 -4.913 -3.915 348 HA LEU 44 HA LEU 44 -1.719 -2.543 -4.818 349 1HB LEU 44 2HB LEU 44 -0.897 -3.492 -2.123 350 2HB LEU 44 1HB LEU 44 -1.766 -1.986 -2.360 351 HG LEU 44 HG LEU 44 -2.721 -4.543 -3.622 352 1HD1 LEU 44 1HD1 LEU 44 -2.692 -5.096 -1.292 353 2HD1 LEU 44 2HD1 LEU 44 -4.351 -4.726 -1.736 354 3HD1 LEU 44 3HD1 LEU 44 -3.389 -3.540 -0.859 355 1HD2 LEU 44 1HD2 LEU 44 -3.613 -2.515 -4.513 356 2HD2 LEU 44 2HD2 LEU 44 -4.009 -1.927 -2.890 357 3HD2 LEU 44 3HD2 LEU 44 -4.866 -3.315 -3.565 358 H LEU 45 H LEU 45 1.534 -3.040 -3.455 359 HA LEU 45 HA LEU 45 2.007 -0.187 -3.585 360 1HB LEU 45 2HB LEU 45 4.539 -1.484 -4.012 361 2HB LEU 45 1HB LEU 45 4.034 -0.483 -2.670 362 HG LEU 45 HG LEU 45 4.798 -2.602 -1.860 363 1HD1 LEU 45 1HD1 LEU 45 2.895 -1.548 -0.728 364 2HD1 LEU 45 2HD1 LEU 45 2.856 -3.304 -0.597 365 3HD1 LEU 45 3HD1 LEU 45 1.789 -2.488 -1.719 366 1HD2 LEU 45 1HD2 LEU 45 2.688 -4.190 -3.142 367 2HD2 LEU 45 2HD2 LEU 45 4.377 -4.577 -2.866 368 3HD2 LEU 45 3HD2 LEU 45 3.911 -3.565 -4.240 369 H ALA 46 H ALA 46 2.167 -2.921 -5.661 370 HA ALA 46 HA ALA 46 3.642 -1.853 -7.818 371 1HB ALA 46 1HB ALA 46 1.292 -3.498 -8.518 372 2HB ALA 46 2HB ALA 46 2.362 -4.233 -7.319 373 3HB ALA 46 3HB ALA 46 3.000 -3.762 -8.896 374 H GLU 47 H GLU 47 0.246 -1.850 -6.939 375 HA GLU 47 HA GLU 47 -0.742 -0.321 -9.112 376 1HB GLU 47 2HB GLU 47 -1.630 -1.346 -6.459 377 2HB GLU 47 1HB GLU 47 -2.519 0.039 -7.114 378 1HG GLU 47 2HG GLU 47 -3.703 -1.466 -8.320 379 2HG GLU 47 1HG GLU 47 -2.266 -1.615 -9.324 380 H ALA 48 H ALA 48 0.182 0.310 -5.816 381 HA ALA 48 HA ALA 48 -0.395 3.044 -5.685 382 1HB ALA 48 1HB ALA 48 1.897 1.824 -4.225 383 2HB ALA 48 2HB ALA 48 0.256 1.311 -3.856 384 3HB ALA 48 3HB ALA 48 0.709 2.999 -3.659 385 H LYS 49 H LYS 49 2.573 1.308 -6.461 386 HA LYS 49 HA LYS 49 4.175 3.604 -6.962 387 1HB LYS 49 2HB LYS 49 4.343 0.744 -7.950 388 2HB LYS 49 1HB LYS 49 5.533 1.970 -8.387 389 1HG LYS 49 2HG LYS 49 6.086 2.343 -6.042 390 2HG LYS 49 1HG LYS 49 4.819 1.241 -5.522 391 1HD LYS 49 2HD LYS 49 6.014 -0.577 -6.855 392 2HD LYS 49 1HD LYS 49 7.352 0.558 -7.038 393 1HE LYS 49 2HE LYS 49 7.335 0.779 -4.486 394 2HE LYS 49 1HE LYS 49 6.256 -0.616 -4.471 395 1HZ LYS 49 1HZ LYS 49 9.025 -0.488 -5.517 396 2HZ LYS 49 2HZ LYS 49 7.977 -1.792 -5.815 397 3HZ LYS 49 3HZ LYS 49 8.447 -1.423 -4.225 398 H LYS 50 H LYS 50 1.866 1.731 -8.867 399 HA LYS 50 HA LYS 50 2.402 3.049 -11.358 400 1HB LYS 50 2HB LYS 50 0.139 1.347 -10.316 401 2HB LYS 50 1HB LYS 50 0.023 2.154 -11.879 402 1HG LYS 50 2HG LYS 50 2.000 1.013 -12.681 403 2HG LYS 50 1HG LYS 50 2.312 0.329 -11.091 404 1HD LYS 50 2HD LYS 50 -0.150 -0.630 -11.378 405 2HD LYS 50 1HD LYS 50 0.193 -0.393 -13.090 406 1HE LYS 50 2HE LYS 50 1.244 -2.391 -13.040 407 2HE LYS 50 1HE LYS 50 2.510 -1.607 -12.094 408 1HZ LYS 50 1HZ LYS 50 1.923 -3.211 -10.634 409 2HZ LYS 50 2HZ LYS 50 0.332 -3.339 -11.216 410 3HZ LYS 50 3HZ LYS 50 0.760 -2.062 -10.181 411 H LEU 51 H LEU 51 0.195 3.546 -8.635 412 HA LEU 51 HA LEU 51 -1.285 5.699 -9.790 413 1HB LEU 51 2HB LEU 51 -1.026 4.463 -7.118 414 2HB LEU 51 1HB LEU 51 -1.541 6.136 -7.168 415 HG LEU 51 HG LEU 51 -3.259 5.479 -8.857 416 1HD1 LEU 51 1HD1 LEU 51 -3.786 3.126 -9.128 417 2HD1 LEU 51 2HD1 LEU 51 -2.555 2.673 -7.944 418 3HD1 LEU 51 3HD1 LEU 51 -2.074 3.371 -9.502 419 1HD2 LEU 51 1HD2 LEU 51 -4.815 4.794 -7.181 420 2HD2 LEU 51 2HD2 LEU 51 -3.623 5.820 -6.368 421 3HD2 LEU 51 3HD2 LEU 51 -3.540 4.058 -6.213 422 H ASN 52 H ASN 52 1.528 5.417 -7.760 423 HA ASN 52 HA ASN 52 1.864 8.097 -7.052 424 1HB ASN 52 2HB ASN 52 3.072 6.139 -6.091 425 2HB ASN 52 1HB ASN 52 3.958 5.969 -7.601 426 1HD2 ASN 52 1HD2 ASN 52 5.812 7.255 -7.871 427 2HD2 ASN 52 2HD2 ASN 52 6.303 8.447 -6.767 428 H ASP 53 H ASP 53 3.060 6.169 -9.714 429 HA ASP 53 HA ASP 53 4.275 8.294 -11.123 430 1HB ASP 53 2HB ASP 53 3.473 5.520 -11.992 431 2HB ASP 53 1HB ASP 53 4.493 6.610 -12.929 432 H ALA 54 H ALA 54 1.173 6.623 -11.320 433 HA ALA 54 HA ALA 54 0.291 7.778 -13.778 434 1HB ALA 54 1HB ALA 54 -0.626 5.687 -12.968 435 2HB ALA 54 2HB ALA 54 -1.919 6.880 -13.072 436 3HB ALA 54 3HB ALA 54 -1.212 6.483 -11.508 437 H GLN 55 H GLN 55 -0.323 8.599 -10.382 438 HA GLN 55 HA GLN 55 -2.254 10.637 -11.083 439 1HB GLN 55 2HB GLN 55 -0.896 9.889 -8.489 440 2HB GLN 55 1HB GLN 55 -2.157 11.100 -8.638 441 1HG GLN 55 2HG GLN 55 -3.718 9.407 -9.490 442 2HG GLN 55 1HG GLN 55 -2.455 8.181 -9.387 443 1HE2 GLN 55 1HE2 GLN 55 -2.001 10.322 -6.806 444 2HE2 GLN 55 2HE2 GLN 55 -2.836 9.412 -5.624 445 H ALA 56 H ALA 56 0.986 10.433 -9.774 446 HA ALA 56 HA ALA 56 2.532 12.099 -9.249 447 1HB ALA 56 1HB ALA 56 3.319 13.251 -11.266 448 2HB ALA 56 2HB ALA 56 1.833 12.810 -12.110 449 3HB ALA 56 3HB ALA 56 2.971 11.558 -11.609 450 HA PRO 57 HA PRO 57 -1.321 14.920 -8.382 451 1HB PRO 57 2HB PRO 57 0.078 15.344 -5.875 452 2HB PRO 57 1HB PRO 57 -1.481 14.548 -6.164 453 1HG PRO 57 2HG PRO 57 1.232 13.381 -5.978 454 2HG PRO 57 1HG PRO 57 -0.342 12.673 -5.553 455 1HD PRO 57 2HD PRO 57 0.842 11.810 -7.745 456 2HD PRO 57 1HD PRO 57 -0.873 12.241 -7.822 457 H LYS 58 H LYS 58 -1.251 16.904 -9.134 458 HA LYS 58 HA LYS 58 0.949 18.738 -8.463 459 1HB LYS 58 2HB LYS 58 0.101 17.958 -11.250 460 2HB LYS 58 1HB LYS 58 0.777 19.554 -10.930 461 1HG LYS 58 2HG LYS 58 2.804 18.550 -10.001 462 2HG LYS 58 1HG LYS 58 2.131 16.936 -10.207 463 1HD LYS 58 2HD LYS 58 2.050 18.519 -12.679 464 2HD LYS 58 1HD LYS 58 3.689 18.284 -12.072 465 1HE LYS 58 2HE LYS 58 3.333 15.856 -11.980 466 2HE LYS 58 1HE LYS 58 1.667 16.065 -12.520 467 1HZ LYS 58 1HZ LYS 58 2.302 16.461 -14.628 468 2HZ LYS 58 2HZ LYS 58 3.687 15.589 -14.171 469 3HZ LYS 58 3HZ LYS 58 3.715 17.287 -14.181 Start of MODEL 22 1 1H VAL 1 1HT VAL 1 2.519 -13.070 14.628 2 2H VAL 1 2HT VAL 1 2.126 -13.654 16.173 3 3H VAL 1 3HT VAL 1 2.330 -11.987 15.918 4 HA VAL 1 HA VAL 1 -0.028 -12.787 16.100 5 HB VAL 1 HB VAL 1 0.478 -10.595 15.198 6 1HG1 VAL 1 1HG1 VAL 1 1.177 -12.092 12.655 7 2HG1 VAL 1 2HG1 VAL 1 2.233 -11.072 13.629 8 3HG1 VAL 1 3HG1 VAL 1 0.916 -10.350 12.710 9 1HG2 VAL 1 1HG2 VAL 1 -1.457 -10.259 13.907 10 2HG2 VAL 1 2HG2 VAL 1 -1.824 -11.758 14.756 11 3HG2 VAL 1 3HG2 VAL 1 -1.292 -11.804 13.078 12 H ASP 2 H ASP 2 -1.640 -14.044 15.242 13 HA ASP 2 HA ASP 2 -0.944 -16.386 13.830 14 1HB ASP 2 2HB ASP 2 -3.307 -16.892 13.851 15 2HB ASP 2 1HB ASP 2 -2.885 -16.150 15.391 16 H ASN 3 H ASN 3 -2.325 -13.323 12.785 17 HA ASN 3 HA ASN 3 -2.690 -14.252 10.040 18 1HB ASN 3 2HB ASN 3 -3.113 -11.503 11.242 19 2HB ASN 3 1HB ASN 3 -3.645 -12.040 9.651 20 1HD2 ASN 3 1HD2 ASN 3 -4.895 -14.400 9.995 21 2HD2 ASN 3 2HD2 ASN 3 -6.129 -14.309 11.156 22 H LYS 4 H LYS 4 -1.307 -13.877 8.409 23 HA LYS 4 HA LYS 4 1.256 -12.666 8.983 24 1HB LYS 4 2HB LYS 4 0.207 -13.780 6.378 25 2HB LYS 4 1HB LYS 4 1.885 -13.378 6.735 26 1HG LYS 4 2HG LYS 4 1.783 -15.045 8.646 27 2HG LYS 4 1HG LYS 4 0.214 -15.558 8.025 28 1HD LYS 4 2HD LYS 4 2.790 -15.577 6.413 29 2HD LYS 4 1HD LYS 4 2.103 -16.988 7.213 30 1HE LYS 4 2HE LYS 4 1.162 -17.275 5.127 31 2HE LYS 4 1HE LYS 4 -0.074 -16.235 5.832 32 1HZ LYS 4 1HZ LYS 4 0.333 -14.923 4.090 33 2HZ LYS 4 2HZ LYS 4 1.800 -15.691 3.718 34 3HZ LYS 4 3HZ LYS 4 1.754 -14.470 4.898 35 H PHE 5 H PHE 5 -1.578 -11.333 8.428 36 HA PHE 5 HA PHE 5 -1.457 -9.612 6.266 37 1HB PHE 5 2HB PHE 5 -2.576 -9.307 9.041 38 2HB PHE 5 1HB PHE 5 -2.671 -8.012 7.865 39 HD1 PHE 5 1HD PHE 5 -4.944 -7.870 7.400 40 HD2 PHE 5 2HD PHE 5 -2.999 -11.712 7.297 41 HE1 PHE 5 1HE PHE 5 -7.006 -8.877 6.486 42 HE2 PHE 5 2HE PHE 5 -5.074 -12.713 6.366 43 HZ PHE 5 HZ PHE 5 -7.074 -11.284 5.962 44 H ASN 6 H ASN 6 -0.531 -8.876 9.621 45 HA ASN 6 HA ASN 6 0.400 -6.310 9.238 46 1HB ASN 6 2HB ASN 6 1.406 -8.346 11.214 47 2HB ASN 6 1HB ASN 6 1.633 -6.605 11.325 48 1HD2 ASN 6 1HD2 ASN 6 -0.051 -8.716 12.949 49 2HD2 ASN 6 2HD2 ASN 6 -1.563 -7.959 13.085 50 H LYS 7 H LYS 7 2.334 -9.314 9.164 51 HA LYS 7 HA LYS 7 4.802 -8.069 8.764 52 1HB LYS 7 2HB LYS 7 4.583 -10.396 9.428 53 2HB LYS 7 1HB LYS 7 3.886 -10.799 7.863 54 1HG LYS 7 2HG LYS 7 6.210 -11.403 7.754 55 2HG LYS 7 1HG LYS 7 6.038 -9.932 6.805 56 1HD LYS 7 2HD LYS 7 6.620 -9.487 9.679 57 2HD LYS 7 1HD LYS 7 7.908 -10.287 8.781 58 1HE LYS 7 2HE LYS 7 7.619 -8.430 7.024 59 2HE LYS 7 1HE LYS 7 6.665 -7.585 8.242 60 1HZ LYS 7 1HZ LYS 7 8.572 -7.810 9.765 61 2HZ LYS 7 2HZ LYS 7 8.926 -6.873 8.393 62 3HZ LYS 7 3HZ LYS 7 9.483 -8.475 8.499 63 H GLU 8 H GLU 8 2.341 -9.168 6.465 64 HA GLU 8 HA GLU 8 3.898 -8.491 4.130 65 1HB GLU 8 2HB GLU 8 2.032 -10.174 4.194 66 2HB GLU 8 1HB GLU 8 0.898 -8.847 4.429 67 1HG GLU 8 2HG GLU 8 0.940 -9.377 2.077 68 2HG GLU 8 1HG GLU 8 1.728 -7.824 2.308 69 H ARG 9 H ARG 9 1.533 -6.951 6.166 70 HA ARG 9 HA ARG 9 1.061 -4.664 4.594 71 1HB ARG 9 2HB ARG 9 0.517 -5.377 7.454 72 2HB ARG 9 1HB ARG 9 0.196 -3.756 6.845 73 1HG ARG 9 2HG ARG 9 -1.327 -4.573 5.203 74 2HG ARG 9 1HG ARG 9 -0.856 -6.242 5.470 75 1HD ARG 9 2HD ARG 9 -2.984 -5.849 6.560 76 2HD ARG 9 1HD ARG 9 -1.750 -6.065 7.798 77 HE ARG 9 HE ARG 9 -2.347 -3.959 8.535 78 1HH1 ARG 9 1HH2 ARG 9 -4.577 -3.991 6.336 79 2HH1 ARG 9 2HH2 ARG 9 -4.325 -2.432 5.630 80 1HH2 ARG 9 1HH1 ARG 9 -1.207 -2.007 7.069 81 2HH2 ARG 9 2HH1 ARG 9 -2.414 -1.314 6.037 82 H VAL 10 H VAL 10 3.466 -5.419 7.054 83 HA VAL 10 HA VAL 10 4.295 -2.777 7.606 84 HB VAL 10 HB VAL 10 6.157 -5.164 7.510 85 1HG1 VAL 10 1HG1 VAL 10 6.312 -2.816 9.397 86 2HG1 VAL 10 2HG1 VAL 10 6.950 -2.677 7.755 87 3HG1 VAL 10 3HG1 VAL 10 7.598 -3.895 8.861 88 1HG2 VAL 10 1HG2 VAL 10 4.883 -6.093 9.116 89 2HG2 VAL 10 2HG2 VAL 10 3.948 -4.612 9.366 90 3HG2 VAL 10 3HG2 VAL 10 5.500 -4.822 10.172 91 H ILE 11 H ILE 11 5.385 -5.243 5.449 92 HA ILE 11 HA ILE 11 7.424 -3.869 4.139 93 HB ILE 11 HB ILE 11 5.592 -6.079 3.171 94 1HG1 ILE 11 2HG1 ILE 11 8.343 -6.353 4.420 95 2HG1 ILE 11 1HG1 ILE 11 6.860 -6.448 5.375 96 1HG2 ILE 11 1HG2 ILE 11 7.355 -6.642 1.616 97 2HG2 ILE 11 2HG2 ILE 11 8.388 -5.359 2.256 98 3HG2 ILE 11 3HG2 ILE 11 6.912 -4.946 1.378 99 1HD1 ILE 11 1HD1 ILE 11 6.128 -8.402 4.261 100 2HD1 ILE 11 2HD1 ILE 11 7.860 -8.666 4.468 101 3HD1 ILE 11 3HD1 ILE 11 7.230 -8.148 2.902 102 H ALA 12 H ALA 12 4.053 -4.430 3.348 103 HA ALA 12 HA ALA 12 4.002 -2.964 0.938 104 1HB ALA 12 1HB ALA 12 2.413 -4.605 1.167 105 2HB ALA 12 2HB ALA 12 1.480 -3.131 1.432 106 3HB ALA 12 3HB ALA 12 1.996 -4.116 2.814 107 H ILE 13 H ILE 13 2.797 -2.109 4.216 108 HA ILE 13 HA ILE 13 1.780 0.408 3.467 109 HB ILE 13 HB ILE 13 1.318 -0.803 5.654 110 1HG1 ILE 13 2HG1 ILE 13 1.916 2.057 5.239 111 2HG1 ILE 13 1HG1 ILE 13 0.456 1.300 5.855 112 1HG2 ILE 13 1HG2 ILE 13 2.896 -0.798 7.417 113 2HG2 ILE 13 2HG2 ILE 13 3.897 0.432 6.646 114 3HG2 ILE 13 3HG2 ILE 13 3.867 -1.199 6.011 115 1HD1 ILE 13 1HD1 ILE 13 1.391 2.591 7.649 116 2HD1 ILE 13 2HD1 ILE 13 3.001 1.922 7.359 117 3HD1 ILE 13 3HD1 ILE 13 1.721 0.896 8.014 118 H GLY 14 H GLY 14 4.882 -0.785 4.481 119 1HA GLY 14 2HA GLY 14 6.214 1.667 4.749 120 2HA GLY 14 1HA GLY 14 6.976 0.083 4.522 121 H GLU 15 H GLU 15 5.609 -0.584 2.050 122 HA GLU 15 HA GLU 15 7.323 0.716 0.169 123 1HB GLU 15 2HB GLU 15 4.910 -1.077 -0.159 124 2HB GLU 15 1HB GLU 15 5.865 -0.498 -1.516 125 1HG GLU 15 2HG GLU 15 7.583 -1.670 0.508 126 2HG GLU 15 1HG GLU 15 6.310 -2.804 0.032 127 H ILE 16 H ILE 16 3.852 0.762 0.809 128 HA ILE 16 HA ILE 16 3.241 2.619 -1.186 129 HB ILE 16 HB ILE 16 1.712 1.406 1.063 130 1HG1 ILE 16 2HG1 ILE 16 1.367 1.316 -1.934 131 2HG1 ILE 16 1HG1 ILE 16 2.457 0.244 -1.081 132 1HG2 ILE 16 1HG2 ILE 16 0.130 2.877 -0.975 133 2HG2 ILE 16 2HG2 ILE 16 0.988 3.919 0.162 134 3HG2 ILE 16 3HG2 ILE 16 -0.132 2.705 0.769 135 1HD1 ILE 16 1HD1 ILE 16 0.013 0.147 0.312 136 2HD1 ILE 16 2HD1 ILE 16 0.719 -1.109 -0.695 137 3HD1 ILE 16 3HD1 ILE 16 -0.381 0.067 -1.408 138 H MET 17 H MET 17 3.818 2.984 2.258 139 HA MET 17 HA MET 17 3.008 5.699 2.440 140 1HB MET 17 2HB MET 17 4.792 3.958 4.154 141 2HB MET 17 1HB MET 17 4.474 5.655 4.543 142 1HG MET 17 2HG MET 17 2.291 3.600 4.081 143 2HG MET 17 1HG MET 17 2.905 4.021 5.676 144 1HE MET 17 1HE MET 17 -0.779 5.498 4.859 145 2HE MET 17 2HE MET 17 0.091 4.084 5.453 146 3HE MET 17 3HE MET 17 -0.048 4.353 3.720 147 H ARG 18 H ARG 18 5.801 4.173 1.127 148 HA ARG 18 HA ARG 18 7.672 6.316 1.372 149 1HB ARG 18 2HB ARG 18 8.391 4.016 0.938 150 2HB ARG 18 1HB ARG 18 7.513 4.010 -0.587 151 1HG ARG 18 2HG ARG 18 8.943 5.882 -1.394 152 2HG ARG 18 1HG ARG 18 9.867 5.792 0.109 153 1HD ARG 18 2HD ARG 18 10.399 3.411 -0.413 154 2HD ARG 18 1HD ARG 18 9.549 3.586 -1.948 155 HE ARG 18 HE ARG 18 12.191 4.574 -1.319 156 1HH1 ARG 18 1HH1 ARG 18 10.664 6.998 -2.253 157 2HH1 ARG 18 2HH1 ARG 18 10.914 6.947 -3.966 158 1HH2 ARG 18 1HH2 ARG 18 11.953 3.644 -3.981 159 2HH2 ARG 18 2HH2 ARG 18 11.643 5.049 -4.944 160 H LEU 19 H LEU 19 5.231 5.380 -0.958 161 HA LEU 19 HA LEU 19 5.791 6.769 -3.203 162 1HB LEU 19 2HB LEU 19 3.061 6.591 -1.933 163 2HB LEU 19 1HB LEU 19 3.429 6.754 -3.653 164 HG LEU 19 HG LEU 19 4.294 4.419 -1.915 165 1HD1 LEU 19 1HD1 LEU 19 1.802 4.575 -2.453 166 2HD1 LEU 19 2HD1 LEU 19 2.627 3.092 -2.924 167 3HD1 LEU 19 3HD1 LEU 19 2.265 4.324 -4.138 168 1HD2 LEU 19 1HD2 LEU 19 4.592 3.605 -4.477 169 2HD2 LEU 19 2HD2 LEU 19 5.880 4.334 -3.512 170 3HD2 LEU 19 3HD2 LEU 19 4.951 5.330 -4.645 171 HA PRO 20 HA PRO 20 5.957 10.939 -1.439 172 1HB PRO 20 2HB PRO 20 7.294 11.826 -3.825 173 2HB PRO 20 1HB PRO 20 7.985 11.539 -2.222 174 1HG PRO 20 2HG PRO 20 8.462 10.051 -4.521 175 2HG PRO 20 1HG PRO 20 8.863 9.579 -2.860 176 1HD PRO 20 2HD PRO 20 6.646 8.656 -4.596 177 2HD PRO 20 1HD PRO 20 7.439 7.837 -3.235 178 H ASN 21 H ASN 21 4.421 9.873 -4.374 179 HA ASN 21 HA ASN 21 3.524 12.606 -5.012 180 1HB ASN 21 2HB ASN 21 2.880 10.027 -6.476 181 2HB ASN 21 1HB ASN 21 2.582 11.662 -7.032 182 1HD2 ASN 21 1HD2 ASN 21 4.536 9.405 -7.967 183 2HD2 ASN 21 2HD2 ASN 21 6.017 10.221 -8.116 184 H LEU 22 H LEU 22 1.875 9.487 -4.612 185 HA LEU 22 HA LEU 22 -0.728 10.153 -4.476 186 1HB LEU 22 2HB LEU 22 0.734 8.340 -2.559 187 2HB LEU 22 1HB LEU 22 -1.014 8.346 -2.800 188 HG LEU 22 HG LEU 22 0.801 8.050 -5.174 189 1HD1 LEU 22 1HD1 LEU 22 0.905 5.676 -4.849 190 2HD1 LEU 22 2HD1 LEU 22 -0.127 5.768 -3.419 191 3HD1 LEU 22 3HD1 LEU 22 1.502 6.441 -3.380 192 1HD2 LEU 22 1HD2 LEU 22 -1.521 6.380 -5.093 193 2HD2 LEU 22 2HD2 LEU 22 -1.181 7.742 -6.183 194 3HD2 LEU 22 3HD2 LEU 22 -2.000 8.018 -4.634 195 H ASN 23 H ASN 23 -2.245 10.807 -2.972 196 HA ASN 23 HA ASN 23 -1.219 12.588 -0.874 197 1HB ASN 23 2HB ASN 23 -3.757 12.985 -0.544 198 2HB ASN 23 1HB ASN 23 -3.014 13.615 -2.009 199 1HD2 ASN 23 1HD2 ASN 23 -4.128 13.112 -3.889 200 2HD2 ASN 23 2HD2 ASN 23 -5.162 11.779 -4.081 201 H SER 24 H SER 24 -2.160 12.339 1.325 202 HA SER 24 HA SER 24 -1.555 9.876 2.377 203 1HB SER 24 2HB SER 24 -2.821 10.530 4.370 204 2HB SER 24 1HB SER 24 -1.758 11.810 3.782 205 HG SER 24 HG SER 24 -4.555 11.546 3.333 206 H LEU 25 H LEU 25 -4.683 10.961 1.147 207 HA LEU 25 HA LEU 25 -6.237 8.837 2.164 208 1HB LEU 25 2HB LEU 25 -6.626 10.279 -0.457 209 2HB LEU 25 1HB LEU 25 -7.844 9.433 0.484 210 HG LEU 25 HG LEU 25 -7.197 11.116 2.382 211 1HD1 LEU 25 1HD1 LEU 25 -5.504 12.512 1.734 212 2HD1 LEU 25 2HD1 LEU 25 -6.776 13.365 0.865 213 3HD1 LEU 25 3HD1 LEU 25 -5.766 12.193 0.021 214 1HD2 LEU 25 1HD2 LEU 25 -8.729 12.836 1.107 215 2HD2 LEU 25 2HD2 LEU 25 -9.370 11.247 1.538 216 3HD2 LEU 25 3HD2 LEU 25 -8.804 11.556 -0.106 217 H GLN 26 H GLN 26 -4.615 9.217 -0.986 218 HA GLN 26 HA GLN 26 -5.365 6.695 -1.961 219 1HB GLN 26 2HB GLN 26 -3.128 8.532 -2.598 220 2HB GLN 26 1HB GLN 26 -3.385 7.030 -3.451 221 1HG GLN 26 2HG GLN 26 -5.476 7.706 -4.290 222 2HG GLN 26 1HG GLN 26 -5.649 8.977 -3.068 223 1HE2 GLN 26 1HE2 GLN 26 -5.918 9.302 -5.934 224 2HE2 GLN 26 2HE2 GLN 26 -4.717 10.392 -6.432 225 H VAL 27 H VAL 27 -2.566 7.945 -0.312 226 HA VAL 27 HA VAL 27 -0.949 5.680 -0.209 227 HB VAL 27 HB VAL 27 -1.345 8.112 1.531 228 1HG1 VAL 27 1HG1 VAL 27 -0.414 6.965 3.224 229 2HG1 VAL 27 2HG1 VAL 27 1.080 7.274 2.335 230 3HG1 VAL 27 3HG1 VAL 27 0.262 5.720 2.163 231 1HG2 VAL 27 1HG2 VAL 27 1.078 8.462 0.656 232 2HG2 VAL 27 2HG2 VAL 27 -0.255 8.699 -0.474 233 3HG2 VAL 27 3HG2 VAL 27 0.677 7.204 -0.511 234 H VAL 28 H VAL 28 -3.502 6.892 1.841 235 HA VAL 28 HA VAL 28 -3.384 4.736 3.717 236 HB VAL 28 HB VAL 28 -5.482 6.851 3.373 237 1HG1 VAL 28 1HG1 VAL 28 -6.330 4.799 4.513 238 2HG1 VAL 28 2HG1 VAL 28 -6.123 6.115 5.675 239 3HG1 VAL 28 3HG1 VAL 28 -4.915 4.828 5.578 240 1HG2 VAL 28 1HG2 VAL 28 -2.849 7.073 4.129 241 2HG2 VAL 28 2HG2 VAL 28 -3.621 6.730 5.680 242 3HG2 VAL 28 3HG2 VAL 28 -4.137 8.128 4.732 243 H ALA 29 H ALA 29 -5.170 5.465 0.887 244 HA ALA 29 HA ALA 29 -7.273 3.655 0.961 245 1HB ALA 29 1HB ALA 29 -7.342 3.955 -1.365 246 2HB ALA 29 2HB ALA 29 -5.587 4.143 -1.489 247 3HB ALA 29 3HB ALA 29 -6.575 5.438 -0.798 248 H PHE 30 H PHE 30 -3.907 3.377 0.160 249 HA PHE 30 HA PHE 30 -4.004 0.703 -0.694 250 1HB PHE 30 2HB PHE 30 -1.918 2.696 0.011 251 2HB PHE 30 1HB PHE 30 -1.502 1.014 -0.200 252 HD1 PHE 30 1HD PHE 30 -2.503 -0.174 -2.304 253 HD2 PHE 30 2HD PHE 30 -2.041 4.051 -1.852 254 HE1 PHE 30 1HE PHE 30 -2.675 0.112 -4.742 255 HE2 PHE 30 2HE PHE 30 -2.289 4.363 -4.237 256 HZ PHE 30 HZ PHE 30 -2.597 2.382 -5.743 257 H ILE 31 H ILE 31 -3.332 2.410 2.380 258 HA ILE 31 HA ILE 31 -2.389 0.144 3.800 259 HB ILE 31 HB ILE 31 -4.257 2.275 4.909 260 1HG1 ILE 31 2HG1 ILE 31 -1.232 2.218 5.017 261 2HG1 ILE 31 1HG1 ILE 31 -2.154 3.217 3.897 262 1HG2 ILE 31 1HG2 ILE 31 -3.351 1.659 7.075 263 2HG2 ILE 31 2HG2 ILE 31 -2.229 0.524 6.329 264 3HG2 ILE 31 3HG2 ILE 31 -3.964 0.201 6.297 265 1HD1 ILE 31 1HD1 ILE 31 -3.271 3.546 6.519 266 2HD1 ILE 31 2HD1 ILE 31 -2.481 4.756 5.518 267 3HD1 ILE 31 3HD1 ILE 31 -1.526 3.778 6.628 268 H ASN 32 H ASN 32 -5.539 1.398 2.961 269 HA ASN 32 HA ASN 32 -7.122 -0.507 4.362 270 1HB ASN 32 2HB ASN 32 -7.549 1.556 2.250 271 2HB ASN 32 1HB ASN 32 -8.827 0.379 2.549 272 1HD2 ASN 32 1HD2 ASN 32 -6.653 2.588 4.399 273 2HD2 ASN 32 2HD2 ASN 32 -7.823 3.006 5.555 274 H SER 33 H SER 33 -5.829 -0.429 1.052 275 HA SER 33 HA SER 33 -7.344 -2.607 0.095 276 1HB SER 33 2HB SER 33 -4.597 -1.745 -0.795 277 2HB SER 33 1HB SER 33 -5.778 -2.671 -1.717 278 HG SER 33 HG SER 33 -6.183 -0.048 -0.706 279 H LEU 34 H LEU 34 -4.303 -2.389 1.853 280 HA LEU 34 HA LEU 34 -3.367 -5.033 1.484 281 1HB LEU 34 2HB LEU 34 -3.028 -3.734 4.169 282 2HB LEU 34 1HB LEU 34 -1.901 -4.734 3.270 283 HG LEU 34 HG LEU 34 -2.617 -1.853 2.774 284 1HD1 LEU 34 1HD1 LEU 34 -0.029 -1.753 2.865 285 2HD1 LEU 34 2HD1 LEU 34 -0.161 -3.324 3.650 286 3HD1 LEU 34 3HD1 LEU 34 -0.924 -1.912 4.377 287 1HD2 LEU 34 1HD2 LEU 34 -2.398 -2.490 0.572 288 2HD2 LEU 34 2HD2 LEU 34 -1.398 -3.882 0.969 289 3HD2 LEU 34 3HD2 LEU 34 -0.698 -2.263 0.970 290 H ARG 35 H ARG 35 -5.502 -3.733 4.022 291 HA ARG 35 HA ARG 35 -5.874 -6.287 5.281 292 1HB ARG 35 2HB ARG 35 -7.753 -5.150 6.496 293 2HB ARG 35 1HB ARG 35 -6.193 -4.371 6.644 294 1HG ARG 35 2HG ARG 35 -6.837 -2.789 4.831 295 2HG ARG 35 1HG ARG 35 -8.440 -3.523 4.807 296 1HD ARG 35 2HD ARG 35 -8.658 -2.940 7.247 297 2HD ARG 35 1HD ARG 35 -7.127 -2.074 7.125 298 HE ARG 35 HE ARG 35 -8.312 -0.328 6.188 299 1HH1 ARG 35 1HH1 ARG 35 -10.940 -1.376 7.166 300 2HH1 ARG 35 2HH1 ARG 35 -11.867 -1.479 5.707 301 1HH2 ARG 35 1HH2 ARG 35 -9.107 -1.292 3.630 302 2HH2 ARG 35 2HH2 ARG 35 -10.830 -1.433 3.707 303 H ASP 36 H ASP 36 -7.529 -4.451 2.824 304 HA ASP 36 HA ASP 36 -9.870 -6.058 2.659 305 1HB ASP 36 2HB ASP 36 -8.483 -4.256 0.645 306 2HB ASP 36 1HB ASP 36 -10.043 -5.024 0.359 307 H ASP 37 H ASP 37 -6.591 -6.404 1.776 308 HA ASP 37 HA ASP 37 -6.894 -9.113 0.945 309 1HB ASP 37 2HB ASP 37 -7.738 -7.758 -1.073 310 2HB ASP 37 1HB ASP 37 -6.063 -7.284 -1.301 311 HA PRO 38 HA PRO 38 -2.677 -8.032 2.378 312 1HB PRO 38 2HB PRO 38 -2.410 -10.726 3.357 313 2HB PRO 38 1HB PRO 38 -2.539 -9.221 4.279 314 1HG PRO 38 2HG PRO 38 -4.455 -11.219 4.117 315 2HG PRO 38 1HG PRO 38 -4.680 -9.579 4.727 316 1HD PRO 38 2HD PRO 38 -5.563 -10.746 2.161 317 2HD PRO 38 1HD PRO 38 -6.193 -9.335 3.038 318 H SER 39 H SER 39 -3.807 -10.871 0.644 319 HA SER 39 HA SER 39 -1.326 -11.844 -0.293 320 1HB SER 39 2HB SER 39 -3.999 -12.039 -1.704 321 2HB SER 39 1HB SER 39 -2.615 -13.110 -1.891 322 HG SER 39 HG SER 39 -4.450 -12.869 0.210 323 H GLN 40 H GLN 40 -3.479 -9.294 -1.300 324 HA GLN 40 HA GLN 40 -1.942 -8.821 -3.732 325 1HB GLN 40 2HB GLN 40 -4.483 -7.566 -2.689 326 2HB GLN 40 1HB GLN 40 -3.694 -7.094 -4.193 327 1HG GLN 40 2HG GLN 40 -4.603 -9.919 -3.568 328 2HG GLN 40 1HG GLN 40 -5.543 -8.767 -4.513 329 1HE2 GLN 40 1HE2 GLN 40 -3.311 -11.268 -4.812 330 2HE2 GLN 40 2HE2 GLN 40 -2.708 -10.891 -6.354 331 H SER 41 H SER 41 -1.438 -8.072 -0.617 332 HA SER 41 HA SER 41 -1.087 -5.290 -0.502 333 1HB SER 41 2HB SER 41 0.442 -7.518 0.854 334 2HB SER 41 1HB SER 41 0.702 -5.822 1.222 335 HG SER 41 HG SER 41 -0.932 -7.165 2.462 336 H ALA 42 H ALA 42 0.776 -7.856 -1.892 337 HA ALA 42 HA ALA 42 3.115 -6.390 -2.531 338 1HB ALA 42 1HB ALA 42 3.618 -8.319 -3.974 339 2HB ALA 42 2HB ALA 42 1.969 -8.904 -3.740 340 3HB ALA 42 3HB ALA 42 3.083 -8.835 -2.374 341 H ASN 43 H ASN 43 0.080 -7.062 -4.163 342 HA ASN 43 HA ASN 43 0.779 -6.042 -6.747 343 1HB ASN 43 2HB ASN 43 -1.122 -7.617 -6.001 344 2HB ASN 43 1HB ASN 43 -1.929 -6.131 -5.500 345 1HD2 ASN 43 1HD2 ASN 43 -3.584 -6.530 -7.159 346 2HD2 ASN 43 2HD2 ASN 43 -3.263 -6.201 -8.794 347 H LEU 44 H LEU 44 -0.639 -4.931 -3.819 348 HA LEU 44 HA LEU 44 -1.786 -2.584 -4.761 349 1HB LEU 44 2HB LEU 44 -1.004 -3.529 -2.052 350 2HB LEU 44 1HB LEU 44 -1.833 -1.999 -2.297 351 HG LEU 44 HG LEU 44 -2.839 -4.519 -3.595 352 1HD1 LEU 44 1HD1 LEU 44 -3.337 -3.609 -0.779 353 2HD1 LEU 44 2HD1 LEU 44 -2.963 -5.222 -1.370 354 3HD1 LEU 44 3HD1 LEU 44 -4.546 -4.526 -1.670 355 1HD2 LEU 44 1HD2 LEU 44 -4.077 -1.889 -2.826 356 2HD2 LEU 44 2HD2 LEU 44 -4.955 -3.243 -3.543 357 3HD2 LEU 44 3HD2 LEU 44 -3.674 -2.445 -4.456 358 H LEU 45 H LEU 45 1.476 -3.076 -3.424 359 HA LEU 45 HA LEU 45 1.947 -0.220 -3.620 360 1HB LEU 45 2HB LEU 45 4.466 -1.551 -4.055 361 2HB LEU 45 1HB LEU 45 3.998 -0.489 -2.744 362 HG LEU 45 HG LEU 45 4.759 -2.561 -1.845 363 1HD1 LEU 45 1HD1 LEU 45 2.904 -1.550 -0.678 364 2HD1 LEU 45 2HD1 LEU 45 2.767 -3.306 -0.614 365 3HD1 LEU 45 3HD1 LEU 45 1.757 -2.389 -1.707 366 1HD2 LEU 45 1HD2 LEU 45 3.869 -3.623 -4.182 367 2HD2 LEU 45 2HD2 LEU 45 2.675 -4.230 -3.039 368 3HD2 LEU 45 3HD2 LEU 45 4.379 -4.569 -2.781 369 H ALA 46 H ALA 46 2.042 -3.024 -5.612 370 HA ALA 46 HA ALA 46 3.507 -2.050 -7.823 371 1HB ALA 46 1HB ALA 46 2.186 -4.386 -7.236 372 2HB ALA 46 2HB ALA 46 2.816 -3.978 -8.834 373 3HB ALA 46 3HB ALA 46 1.121 -3.669 -8.444 374 H GLU 47 H GLU 47 0.159 -1.908 -6.848 375 HA GLU 47 HA GLU 47 -0.896 -0.438 -9.048 376 1HB GLU 47 2HB GLU 47 -1.676 -1.337 -6.317 377 2HB GLU 47 1HB GLU 47 -2.560 0.045 -6.972 378 1HG GLU 47 2HG GLU 47 -3.481 -1.191 -8.705 379 2HG GLU 47 1HG GLU 47 -2.181 -2.383 -8.690 380 H ALA 48 H ALA 48 0.016 0.268 -5.769 381 HA ALA 48 HA ALA 48 -0.438 3.005 -5.658 382 1HB ALA 48 1HB ALA 48 1.832 1.785 -4.174 383 2HB ALA 48 2HB ALA 48 0.197 1.231 -3.838 384 3HB ALA 48 3HB ALA 48 0.608 2.925 -3.615 385 H LYS 49 H LYS 49 2.523 1.242 -6.399 386 HA LYS 49 HA LYS 49 4.139 3.529 -6.863 387 1HB LYS 49 2HB LYS 49 4.321 0.671 -7.862 388 2HB LYS 49 1HB LYS 49 5.538 1.895 -8.232 389 1HG LYS 49 2HG LYS 49 6.002 2.236 -5.868 390 2HG LYS 49 1HG LYS 49 4.689 1.161 -5.406 391 1HD LYS 49 2HD LYS 49 5.891 -0.698 -6.634 392 2HD LYS 49 1HD LYS 49 7.251 0.405 -6.843 393 1HE LYS 49 2HE LYS 49 7.456 0.646 -4.401 394 2HE LYS 49 1HE LYS 49 6.064 -0.408 -4.166 395 1HZ LYS 49 1HZ LYS 49 8.633 -1.165 -5.446 396 2HZ LYS 49 2HZ LYS 49 7.279 -2.181 -5.291 397 3HZ LYS 49 3HZ LYS 49 8.103 -1.641 -3.906 398 H LYS 50 H LYS 50 1.849 1.674 -8.793 399 HA LYS 50 HA LYS 50 2.418 2.969 -11.293 400 1HB LYS 50 2HB LYS 50 1.050 0.741 -10.707 401 2HB LYS 50 1HB LYS 50 -0.300 1.864 -10.702 402 1HG LYS 50 2HG LYS 50 -0.276 1.274 -12.942 403 2HG LYS 50 1HG LYS 50 0.787 2.678 -12.983 404 1HD LYS 50 2HD LYS 50 1.927 0.965 -14.204 405 2HD LYS 50 1HD LYS 50 2.736 1.056 -12.641 406 1HE LYS 50 2HE LYS 50 1.719 -0.940 -11.864 407 2HE LYS 50 1HE LYS 50 0.466 -0.887 -13.106 408 1HZ LYS 50 1HZ LYS 50 3.362 -1.313 -13.611 409 2HZ LYS 50 2HZ LYS 50 2.130 -1.319 -14.781 410 3HZ LYS 50 3HZ LYS 50 2.184 -2.533 -13.593 411 H LEU 51 H LEU 51 0.224 3.470 -8.593 412 HA LEU 51 HA LEU 51 -1.379 5.563 -9.652 413 1HB LEU 51 2HB LEU 51 -0.748 4.429 -6.983 414 2HB LEU 51 1HB LEU 51 -1.401 6.035 -7.032 415 HG LEU 51 HG LEU 51 -3.068 4.196 -6.723 416 1HD1 LEU 51 1HD1 LEU 51 -3.250 6.274 -8.869 417 2HD1 LEU 51 2HD1 LEU 51 -3.997 6.248 -7.264 418 3HD1 LEU 51 3HD1 LEU 51 -4.617 5.202 -8.554 419 1HD2 LEU 51 1HD2 LEU 51 -2.595 2.419 -8.102 420 2HD2 LEU 51 2HD2 LEU 51 -2.016 3.446 -9.415 421 3HD2 LEU 51 3HD2 LEU 51 -3.746 3.267 -9.139 422 H ASN 52 H ASN 52 1.466 5.417 -7.629 423 HA ASN 52 HA ASN 52 1.817 8.118 -7.055 424 1HB ASN 52 2HB ASN 52 2.912 6.194 -5.908 425 2HB ASN 52 1HB ASN 52 3.889 5.922 -7.344 426 1HD2 ASN 52 1HD2 ASN 52 5.785 7.152 -7.565 427 2HD2 ASN 52 2HD2 ASN 52 6.231 8.397 -6.503 428 H ASP 53 H ASP 53 3.169 6.041 -9.521 429 HA ASP 53 HA ASP 53 4.617 8.050 -10.860 430 1HB ASP 53 2HB ASP 53 3.739 5.293 -11.704 431 2HB ASP 53 1HB ASP 53 4.858 6.296 -12.623 432 H ALA 54 H ALA 54 1.440 6.597 -11.281 433 HA ALA 54 HA ALA 54 0.896 7.719 -13.854 434 1HB ALA 54 1HB ALA 54 -1.442 7.047 -13.322 435 2HB ALA 54 2HB ALA 54 -0.889 6.622 -11.702 436 3HB ALA 54 3HB ALA 54 -0.261 5.754 -13.108 437 H GLN 55 H GLN 55 0.008 8.725 -10.541 438 HA GLN 55 HA GLN 55 -1.641 10.883 -11.571 439 1HB GLN 55 2HB GLN 55 -0.704 10.133 -8.806 440 2HB GLN 55 1HB GLN 55 -1.836 11.429 -9.162 441 1HG GLN 55 2HG GLN 55 -3.408 9.843 -10.144 442 2HG GLN 55 1HG GLN 55 -2.265 8.523 -9.887 443 1HE2 GLN 55 1HE2 GLN 55 -1.877 10.649 -7.322 444 2HE2 GLN 55 2HE2 GLN 55 -2.905 9.870 -6.213 445 H ALA 56 H ALA 56 1.365 10.477 -9.828 446 HA ALA 56 HA ALA 56 2.991 12.010 -9.183 447 1HB ALA 56 1HB ALA 56 3.545 11.439 -11.545 448 2HB ALA 56 2HB ALA 56 4.085 13.053 -11.084 449 3HB ALA 56 3HB ALA 56 2.636 12.855 -12.070 450 HA PRO 57 HA PRO 57 -0.722 15.160 -8.739 451 1HB PRO 57 2HB PRO 57 0.349 15.409 -6.051 452 2HB PRO 57 1HB PRO 57 -1.218 14.757 -6.567 453 1HG PRO 57 2HG PRO 57 1.343 13.355 -6.075 454 2HG PRO 57 1HG PRO 57 -0.324 12.782 -5.844 455 1HD PRO 57 2HD PRO 57 1.011 11.828 -7.900 456 2HD PRO 57 1HD PRO 57 -0.623 12.444 -8.177 457 H LYS 58 H LYS 58 -0.023 16.894 -9.869 458 HA LYS 58 HA LYS 58 1.165 18.746 -10.521 459 1HB LYS 58 2HB LYS 58 1.329 19.034 -7.505 460 2HB LYS 58 1HB LYS 58 1.635 20.328 -8.667 461 1HG LYS 58 2HG LYS 58 -0.660 20.036 -9.573 462 2HG LYS 58 1HG LYS 58 -0.964 18.790 -8.362 463 1HD LYS 58 2HD LYS 58 -0.472 20.485 -6.577 464 2HD LYS 58 1HD LYS 58 -0.351 21.715 -7.837 465 1HE LYS 58 2HE LYS 58 -2.795 19.974 -7.739 466 2HE LYS 58 1HE LYS 58 -2.651 21.310 -6.594 467 1HZ LYS 58 1HZ LYS 58 -2.228 21.668 -9.502 468 2HZ LYS 58 2HZ LYS 58 -2.505 22.862 -8.325 469 3HZ LYS 58 3HZ LYS 58 -3.760 21.815 -8.790 Start of MODEL 23 1 1H VAL 1 1HT VAL 1 -4.190 -16.908 17.461 2 2H VAL 1 2HT VAL 1 -5.760 -16.285 17.647 3 3H VAL 1 3HT VAL 1 -4.469 -15.245 17.278 4 HA VAL 1 HA VAL 1 -5.297 -17.446 15.483 5 HB VAL 1 HB VAL 1 -6.360 -15.489 14.154 6 1HG1 VAL 1 1HG1 VAL 1 -7.629 -16.460 16.738 7 2HG1 VAL 1 2HG1 VAL 1 -7.676 -17.290 15.182 8 3HG1 VAL 1 3HG1 VAL 1 -8.501 -15.744 15.382 9 1HG2 VAL 1 1HG2 VAL 1 -7.104 -13.574 15.416 10 2HG2 VAL 1 2HG2 VAL 1 -5.375 -13.732 15.719 11 3HG2 VAL 1 3HG2 VAL 1 -6.534 -14.272 16.933 12 H ASP 2 H ASP 2 -4.046 -17.554 13.679 13 HA ASP 2 HA ASP 2 -1.590 -16.020 13.644 14 1HB ASP 2 2HB ASP 2 -1.605 -18.430 13.098 15 2HB ASP 2 1HB ASP 2 -2.628 -18.103 11.701 16 H ASN 3 H ASN 3 -1.539 -14.051 12.814 17 HA ASN 3 HA ASN 3 -3.045 -13.488 10.326 18 1HB ASN 3 2HB ASN 3 -2.541 -11.539 12.592 19 2HB ASN 3 1HB ASN 3 -3.460 -11.229 11.120 20 1HD2 ASN 3 1HD2 ASN 3 -5.116 -13.426 10.883 21 2HD2 ASN 3 2HD2 ASN 3 -6.101 -13.585 12.256 22 H LYS 4 H LYS 4 -1.436 -13.599 8.856 23 HA LYS 4 HA LYS 4 1.172 -12.443 9.410 24 1HB LYS 4 2HB LYS 4 0.173 -13.706 6.855 25 2HB LYS 4 1HB LYS 4 1.851 -13.374 7.282 26 1HG LYS 4 2HG LYS 4 1.600 -14.907 9.257 27 2HG LYS 4 1HG LYS 4 -0.008 -15.329 8.668 28 1HD LYS 4 2HD LYS 4 1.069 -16.029 6.487 29 2HD LYS 4 1HD LYS 4 2.636 -15.805 7.264 30 1HE LYS 4 2HE LYS 4 0.454 -17.748 8.076 31 2HE LYS 4 1HE LYS 4 2.053 -18.145 7.450 32 1HZ LYS 4 1HZ LYS 4 1.321 -17.045 10.089 33 2HZ LYS 4 2HZ LYS 4 2.888 -16.830 9.469 34 3HZ LYS 4 3HZ LYS 4 2.282 -18.396 9.726 35 H PHE 5 H PHE 5 -1.625 -11.113 8.712 36 HA PHE 5 HA PHE 5 -1.439 -9.575 6.422 37 1HB PHE 5 2HB PHE 5 -2.640 -9.090 9.133 38 2HB PHE 5 1HB PHE 5 -2.661 -7.836 7.901 39 HD1 PHE 5 1HD PHE 5 -4.867 -7.672 7.205 40 HD2 PHE 5 2HD PHE 5 -3.049 -11.564 7.553 41 HE1 PHE 5 1HE PHE 5 -6.877 -8.693 6.195 42 HE2 PHE 5 2HE PHE 5 -5.078 -12.579 6.524 43 HZ PHE 5 HZ PHE 5 -6.983 -11.128 5.846 44 H ASN 6 H ASN 6 -0.542 -8.567 9.717 45 HA ASN 6 HA ASN 6 0.423 -6.065 9.088 46 1HB ASN 6 2HB ASN 6 1.797 -6.287 11.174 47 2HB ASN 6 1HB ASN 6 0.075 -6.596 11.356 48 1HD2 ASN 6 1HD2 ASN 6 -0.608 -8.881 11.610 49 2HD2 ASN 6 2HD2 ASN 6 0.509 -10.058 12.109 50 H LYS 7 H LYS 7 2.326 -9.087 9.283 51 HA LYS 7 HA LYS 7 4.805 -7.931 8.770 52 1HB LYS 7 2HB LYS 7 4.518 -10.224 9.549 53 2HB LYS 7 1HB LYS 7 3.824 -10.679 7.997 54 1HG LYS 7 2HG LYS 7 6.135 -11.337 7.933 55 2HG LYS 7 1HG LYS 7 5.999 -9.906 6.918 56 1HD LYS 7 2HD LYS 7 6.569 -9.334 9.771 57 2HD LYS 7 1HD LYS 7 7.844 -10.216 8.934 58 1HE LYS 7 2HE LYS 7 7.661 -8.456 7.083 59 2HE LYS 7 1HE LYS 7 6.669 -7.524 8.205 60 1HZ LYS 7 1HZ LYS 7 9.026 -6.917 8.299 61 2HZ LYS 7 2HZ LYS 7 9.412 -8.501 8.779 62 3HZ LYS 7 3HZ LYS 7 8.460 -7.514 9.782 63 H GLU 8 H GLU 8 2.297 -9.085 6.555 64 HA GLU 8 HA GLU 8 3.835 -8.557 4.172 65 1HB GLU 8 2HB GLU 8 1.963 -10.224 4.364 66 2HB GLU 8 1HB GLU 8 0.837 -8.880 4.527 67 1HG GLU 8 2HG GLU 8 0.900 -9.637 2.207 68 2HG GLU 8 1HG GLU 8 1.553 -8.013 2.338 69 H ARG 9 H ARG 9 1.461 -6.854 6.106 70 HA ARG 9 HA ARG 9 1.093 -4.671 4.366 71 1HB ARG 9 2HB ARG 9 0.408 -5.129 7.258 72 2HB ARG 9 1HB ARG 9 0.085 -3.598 6.447 73 1HG ARG 9 2HG ARG 9 -1.140 -4.896 4.674 74 2HG ARG 9 1HG ARG 9 -0.981 -6.327 5.664 75 1HD ARG 9 2HD ARG 9 -3.144 -5.386 6.112 76 2HD ARG 9 1HD ARG 9 -2.133 -5.073 7.524 77 HE ARG 9 HE ARG 9 -2.432 -2.995 5.439 78 1HH1 ARG 9 1HH2 ARG 9 -4.818 -3.035 7.201 79 2HH1 ARG 9 2HH2 ARG 9 -4.371 -1.963 8.484 80 1HH2 ARG 9 1HH1 ARG 9 -0.990 -2.069 7.741 81 2HH2 ARG 9 2HH1 ARG 9 -2.203 -1.417 8.790 82 H VAL 10 H VAL 10 3.373 -5.319 6.963 83 HA VAL 10 HA VAL 10 4.228 -2.684 7.463 84 HB VAL 10 HB VAL 10 6.058 -5.101 7.454 85 1HG1 VAL 10 1HG1 VAL 10 6.943 -2.659 7.619 86 2HG1 VAL 10 2HG1 VAL 10 7.498 -3.826 8.825 87 3HG1 VAL 10 3HG1 VAL 10 6.235 -2.668 9.238 88 1HG2 VAL 10 1HG2 VAL 10 5.375 -4.611 10.102 89 2HG2 VAL 10 2HG2 VAL 10 4.802 -5.949 9.107 90 3HG2 VAL 10 3HG2 VAL 10 3.838 -4.473 9.250 91 H ILE 11 H ILE 11 5.314 -5.191 5.359 92 HA ILE 11 HA ILE 11 7.410 -3.880 4.081 93 HB ILE 11 HB ILE 11 5.539 -6.060 3.131 94 1HG1 ILE 11 2HG1 ILE 11 8.279 -6.355 4.397 95 2HG1 ILE 11 1HG1 ILE 11 6.786 -6.419 5.340 96 1HG2 ILE 11 1HG2 ILE 11 6.908 -4.948 1.338 97 2HG2 ILE 11 2HG2 ILE 11 7.237 -6.675 1.563 98 3HG2 ILE 11 3HG2 ILE 11 8.356 -5.469 2.207 99 1HD1 ILE 11 1HD1 ILE 11 7.772 -8.662 4.470 100 2HD1 ILE 11 2HD1 ILE 11 7.157 -8.157 2.893 101 3HD1 ILE 11 3HD1 ILE 11 6.044 -8.382 4.248 102 H ALA 12 H ALA 12 4.053 -4.383 3.194 103 HA ALA 12 HA ALA 12 4.095 -2.919 0.769 104 1HB ALA 12 1HB ALA 12 2.087 -4.147 2.581 105 2HB ALA 12 2HB ALA 12 2.466 -4.489 0.880 106 3HB ALA 12 3HB ALA 12 1.541 -3.047 1.298 107 H ILE 13 H ILE 13 2.789 -2.093 4.005 108 HA ILE 13 HA ILE 13 1.789 0.430 3.288 109 HB ILE 13 HB ILE 13 1.302 -0.844 5.442 110 1HG1 ILE 13 2HG1 ILE 13 1.849 2.032 5.097 111 2HG1 ILE 13 1HG1 ILE 13 0.397 1.233 5.671 112 1HG2 ILE 13 1HG2 ILE 13 3.849 -1.192 5.844 113 2HG2 ILE 13 2HG2 ILE 13 2.843 -0.841 7.236 114 3HG2 ILE 13 3HG2 ILE 13 3.832 0.428 6.513 115 1HD1 ILE 13 1HD1 ILE 13 1.624 0.814 7.844 116 2HD1 ILE 13 2HD1 ILE 13 1.269 2.509 7.506 117 3HD1 ILE 13 3HD1 ILE 13 2.896 1.876 7.237 118 H GLY 14 H GLY 14 4.882 -0.761 4.347 119 1HA GLY 14 2HA GLY 14 6.176 1.697 4.712 120 2HA GLY 14 1HA GLY 14 6.966 0.132 4.450 121 H GLU 15 H GLU 15 5.690 -0.508 1.934 122 HA GLU 15 HA GLU 15 7.405 0.897 0.141 123 1HB GLU 15 2HB GLU 15 5.013 -0.913 -0.323 124 2HB GLU 15 1HB GLU 15 6.078 -0.325 -1.598 125 1HG GLU 15 2HG GLU 15 7.627 -1.504 0.557 126 2HG GLU 15 1HG GLU 15 6.411 -2.642 -0.035 127 H ILE 16 H ILE 16 3.947 0.856 0.739 128 HA ILE 16 HA ILE 16 3.267 2.764 -1.202 129 HB ILE 16 HB ILE 16 1.796 1.461 1.060 130 1HG1 ILE 16 2HG1 ILE 16 1.815 1.217 -1.953 131 2HG1 ILE 16 1HG1 ILE 16 2.636 0.153 -0.837 132 1HG2 ILE 16 1HG2 ILE 16 -0.097 2.643 0.704 133 2HG2 ILE 16 2HG2 ILE 16 0.150 2.704 -1.051 134 3HG2 ILE 16 3HG2 ILE 16 0.944 3.879 -0.005 135 1HD1 ILE 16 1HD1 ILE 16 -0.194 0.247 -1.624 136 2HD1 ILE 16 2HD1 ILE 16 0.087 0.030 0.116 137 3HD1 ILE 16 3HD1 ILE 16 0.790 -1.113 -1.047 138 H MET 17 H MET 17 3.887 3.049 2.240 139 HA MET 17 HA MET 17 2.991 5.743 2.484 140 1HB MET 17 2HB MET 17 4.802 3.994 4.164 141 2HB MET 17 1HB MET 17 4.443 5.673 4.597 142 1HG MET 17 2HG MET 17 2.316 3.583 4.062 143 2HG MET 17 1HG MET 17 2.905 3.976 5.674 144 1HE MET 17 1HE MET 17 0.011 4.263 3.652 145 2HE MET 17 2HE MET 17 -0.808 5.370 4.754 146 3HE MET 17 3HE MET 17 0.069 3.981 5.395 147 H ARG 18 H ARG 18 5.851 4.268 1.235 148 HA ARG 18 HA ARG 18 7.672 6.442 1.508 149 1HB ARG 18 2HB ARG 18 8.406 4.131 1.097 150 2HB ARG 18 1HB ARG 18 7.602 4.146 -0.468 151 1HG ARG 18 2HG ARG 18 9.070 6.039 -1.170 152 2HG ARG 18 1HG ARG 18 9.927 5.906 0.369 153 1HD ARG 18 2HD ARG 18 10.436 3.517 -0.191 154 2HD ARG 18 1HD ARG 18 9.691 3.770 -1.767 155 HE ARG 18 HE ARG 18 11.466 5.439 -2.203 156 1HH1 ARG 18 1HH2 ARG 18 12.479 5.612 0.655 157 2HH1 ARG 18 2HH2 ARG 18 13.932 4.675 0.569 158 1HH2 ARG 18 1HH1 ARG 18 13.094 3.170 -2.435 159 2HH2 ARG 18 2HH1 ARG 18 14.280 3.293 -1.180 160 H LEU 19 H LEU 19 5.298 5.471 -0.880 161 HA LEU 19 HA LEU 19 5.913 6.865 -3.109 162 1HB LEU 19 2HB LEU 19 3.146 6.641 -1.931 163 2HB LEU 19 1HB LEU 19 3.568 6.813 -3.637 164 HG LEU 19 HG LEU 19 4.384 4.491 -1.862 165 1HD1 LEU 19 1HD1 LEU 19 1.953 4.538 -2.509 166 2HD1 LEU 19 2HD1 LEU 19 2.849 3.136 -3.083 167 3HD1 LEU 19 3HD1 LEU 19 2.470 4.453 -4.193 168 1HD2 LEU 19 1HD2 LEU 19 6.081 4.469 -3.363 169 2HD2 LEU 19 2HD2 LEU 19 5.179 5.404 -4.567 170 3HD2 LEU 19 3HD2 LEU 19 4.878 3.671 -4.381 171 HA PRO 20 HA PRO 20 5.947 11.050 -1.385 172 1HB PRO 20 2HB PRO 20 7.299 11.950 -3.757 173 2HB PRO 20 1HB PRO 20 7.974 11.689 -2.143 174 1HG PRO 20 2HG PRO 20 8.516 10.196 -4.424 175 2HG PRO 20 1HG PRO 20 8.905 9.746 -2.754 176 1HD PRO 20 2HD PRO 20 6.735 8.758 -4.514 177 2HD PRO 20 1HD PRO 20 7.528 7.970 -3.135 178 H ASN 21 H ASN 21 4.502 9.921 -4.343 179 HA ASN 21 HA ASN 21 3.549 12.614 -5.039 180 1HB ASN 21 2HB ASN 21 2.954 9.990 -6.443 181 2HB ASN 21 1HB ASN 21 2.645 11.607 -7.044 182 1HD2 ASN 21 1HD2 ASN 21 4.635 9.336 -7.882 183 2HD2 ASN 21 2HD2 ASN 21 6.108 10.166 -8.046 184 H LEU 22 H LEU 22 1.942 9.481 -4.596 185 HA LEU 22 HA LEU 22 -0.672 10.133 -4.481 186 1HB LEU 22 2HB LEU 22 0.795 8.330 -2.557 187 2HB LEU 22 1HB LEU 22 -0.954 8.327 -2.803 188 HG LEU 22 HG LEU 22 0.858 8.042 -5.177 189 1HD1 LEU 22 1HD1 LEU 22 0.018 5.793 -3.336 190 2HD1 LEU 22 2HD1 LEU 22 1.648 6.452 -3.455 191 3HD1 LEU 22 3HD1 LEU 22 0.924 5.641 -4.840 192 1HD2 LEU 22 1HD2 LEU 22 -1.443 6.332 -5.049 193 2HD2 LEU 22 2HD2 LEU 22 -1.115 7.667 -6.179 194 3HD2 LEU 22 3HD2 LEU 22 -1.933 7.980 -4.637 195 H ASN 23 H ASN 23 -2.195 10.770 -2.976 196 HA ASN 23 HA ASN 23 -1.181 12.555 -0.873 197 1HB ASN 23 2HB ASN 23 -3.736 12.910 -0.541 198 2HB ASN 23 1HB ASN 23 -2.983 13.585 -1.983 199 1HD2 ASN 23 1HD2 ASN 23 -3.998 13.066 -3.918 200 2HD2 ASN 23 2HD2 ASN 23 -5.044 11.746 -4.140 201 H SER 24 H SER 24 -2.110 12.281 1.327 202 HA SER 24 HA SER 24 -1.491 9.812 2.357 203 1HB SER 24 2HB SER 24 -2.737 10.448 4.363 204 2HB SER 24 1HB SER 24 -1.700 11.745 3.772 205 HG SER 24 HG SER 24 -4.496 11.447 3.341 206 H LEU 25 H LEU 25 -4.625 10.892 1.143 207 HA LEU 25 HA LEU 25 -6.173 8.760 2.150 208 1HB LEU 25 2HB LEU 25 -6.569 10.217 -0.460 209 2HB LEU 25 1HB LEU 25 -7.783 9.364 0.480 210 HG LEU 25 HG LEU 25 -7.126 11.036 2.387 211 1HD1 LEU 25 1HD1 LEU 25 -6.727 13.296 0.885 212 2HD1 LEU 25 2HD1 LEU 25 -5.725 12.135 0.016 213 3HD1 LEU 25 3HD1 LEU 25 -5.442 12.438 1.729 214 1HD2 LEU 25 1HD2 LEU 25 -9.306 11.165 1.563 215 2HD2 LEU 25 2HD2 LEU 25 -8.757 11.480 -0.085 216 3HD2 LEU 25 3HD2 LEU 25 -8.675 12.757 1.132 217 H GLN 26 H GLN 26 -4.560 9.165 -1.000 218 HA GLN 26 HA GLN 26 -5.307 6.651 -2.002 219 1HB GLN 26 2HB GLN 26 -3.082 8.509 -2.614 220 2HB GLN 26 1HB GLN 26 -3.313 7.006 -3.479 221 1HG GLN 26 2HG GLN 26 -5.414 7.661 -4.321 222 2HG GLN 26 1HG GLN 26 -5.593 8.940 -3.105 223 1HE2 GLN 26 1HE2 GLN 26 -5.858 9.253 -5.973 224 2HE2 GLN 26 2HE2 GLN 26 -4.654 10.339 -6.474 225 H VAL 27 H VAL 27 -2.519 7.887 -0.328 226 HA VAL 27 HA VAL 27 -0.893 5.623 -0.259 227 HB VAL 27 HB VAL 27 -1.290 8.038 1.505 228 1HG1 VAL 27 1HG1 VAL 27 1.135 7.189 2.301 229 2HG1 VAL 27 2HG1 VAL 27 0.312 5.639 2.116 230 3HG1 VAL 27 3HG1 VAL 27 -0.359 6.882 3.189 231 1HG2 VAL 27 1HG2 VAL 27 1.136 8.391 0.634 232 2HG2 VAL 27 2HG2 VAL 27 -0.199 8.648 -0.490 233 3HG2 VAL 27 3HG2 VAL 27 0.728 7.150 -0.549 234 H VAL 28 H VAL 28 -3.428 6.820 1.814 235 HA VAL 28 HA VAL 28 -3.328 4.653 3.674 236 HB VAL 28 HB VAL 28 -5.397 6.796 3.331 237 1HG1 VAL 28 1HG1 VAL 28 -6.305 4.769 4.453 238 2HG1 VAL 28 2HG1 VAL 28 -6.063 6.063 5.631 239 3HG1 VAL 28 3HG1 VAL 28 -4.896 4.740 5.521 240 1HG2 VAL 28 1HG2 VAL 28 -4.045 8.038 4.714 241 2HG2 VAL 28 2HG2 VAL 28 -2.771 6.970 4.103 242 3HG2 VAL 28 3HG2 VAL 28 -3.552 6.622 5.648 243 H ALA 29 H ALA 29 -5.112 5.404 0.849 244 HA ALA 29 HA ALA 29 -7.235 3.630 0.935 245 1HB ALA 29 1HB ALA 29 -6.545 5.392 -0.831 246 2HB ALA 29 2HB ALA 29 -7.296 3.899 -1.399 247 3HB ALA 29 3HB ALA 29 -5.543 4.104 -1.513 248 H PHE 30 H PHE 30 -3.871 3.280 0.079 249 HA PHE 30 HA PHE 30 -4.064 0.604 -0.744 250 1HB PHE 30 2HB PHE 30 -1.857 2.466 -0.009 251 2HB PHE 30 1HB PHE 30 -1.561 0.764 -0.327 252 HD1 PHE 30 1HD PHE 30 -1.896 3.932 -1.828 253 HD2 PHE 30 2HD PHE 30 -2.754 -0.219 -2.424 254 HE1 PHE 30 1HE PHE 30 -2.195 4.349 -4.200 255 HE2 PHE 30 2HE PHE 30 -2.968 0.177 -4.827 256 HZ PHE 30 HZ PHE 30 -2.718 2.459 -5.753 257 H ILE 31 H ILE 31 -3.283 2.300 2.309 258 HA ILE 31 HA ILE 31 -2.400 0.029 3.728 259 HB ILE 31 HB ILE 31 -4.245 2.164 4.861 260 1HG1 ILE 31 2HG1 ILE 31 -1.223 2.101 4.955 261 2HG1 ILE 31 1HG1 ILE 31 -2.144 3.110 3.847 262 1HG2 ILE 31 1HG2 ILE 31 -2.354 0.162 6.128 263 2HG2 ILE 31 2HG2 ILE 31 -4.104 0.266 6.340 264 3HG2 ILE 31 3HG2 ILE 31 -3.058 1.522 7.003 265 1HD1 ILE 31 1HD1 ILE 31 -2.468 4.638 5.485 266 2HD1 ILE 31 2HD1 ILE 31 -1.513 3.648 6.584 267 3HD1 ILE 31 3HD1 ILE 31 -3.256 3.418 6.476 268 H ASN 32 H ASN 32 -5.545 1.332 2.930 269 HA ASN 32 HA ASN 32 -7.137 -0.530 4.378 270 1HB ASN 32 2HB ASN 32 -7.568 1.512 2.244 271 2HB ASN 32 1HB ASN 32 -8.858 0.360 2.586 272 1HD2 ASN 32 1HD2 ASN 32 -7.395 3.287 3.629 273 2HD2 ASN 32 2HD2 ASN 32 -8.214 3.433 5.109 274 H SER 33 H SER 33 -5.945 -0.485 1.024 275 HA SER 33 HA SER 33 -7.530 -2.671 0.183 276 1HB SER 33 2HB SER 33 -4.856 -1.848 -0.929 277 2HB SER 33 1HB SER 33 -6.158 -2.706 -1.747 278 HG SER 33 HG SER 33 -6.258 -0.062 -0.722 279 H LEU 34 H LEU 34 -4.331 -2.432 1.658 280 HA LEU 34 HA LEU 34 -3.464 -5.093 1.261 281 1HB LEU 34 2HB LEU 34 -2.858 -3.930 3.933 282 2HB LEU 34 1HB LEU 34 -1.812 -4.795 2.821 283 HG LEU 34 HG LEU 34 -2.682 -1.923 2.644 284 1HD1 LEU 34 1HD1 LEU 34 -0.133 -1.645 2.666 285 2HD1 LEU 34 2HD1 LEU 34 -0.093 -3.307 3.251 286 3HD1 LEU 34 3HD1 LEU 34 -0.920 -2.062 4.189 287 1HD2 LEU 34 1HD2 LEU 34 -1.187 -3.664 0.697 288 2HD2 LEU 34 2HD2 LEU 34 -0.985 -1.915 0.714 289 3HD2 LEU 34 3HD2 LEU 34 -2.568 -2.619 0.372 290 H ARG 35 H ARG 35 -5.408 -3.710 3.884 291 HA ARG 35 HA ARG 35 -5.667 -6.150 5.335 292 1HB ARG 35 2HB ARG 35 -6.876 -4.912 6.845 293 2HB ARG 35 1HB ARG 35 -6.086 -3.607 5.977 294 1HG ARG 35 2HG ARG 35 -8.205 -3.716 4.436 295 2HG ARG 35 1HG ARG 35 -8.938 -4.510 5.817 296 1HD ARG 35 2HD ARG 35 -8.794 -2.613 7.154 297 2HD ARG 35 1HD ARG 35 -7.422 -1.957 6.262 298 HE ARG 35 HE ARG 35 -9.080 -0.692 5.240 299 1HH1 ARG 35 1HH2 ARG 35 -11.519 -1.821 6.450 300 2HH1 ARG 35 2HH2 ARG 35 -12.330 -2.556 5.108 301 1HH2 ARG 35 1HH1 ARG 35 -9.517 -2.584 3.088 302 2HH2 ARG 35 2HH1 ARG 35 -11.196 -2.989 3.205 303 H ASP 36 H ASP 36 -7.449 -4.620 2.760 304 HA ASP 36 HA ASP 36 -9.732 -6.321 2.811 305 1HB ASP 36 2HB ASP 36 -9.131 -3.996 1.535 306 2HB ASP 36 1HB ASP 36 -8.833 -5.141 0.230 307 H ASP 37 H ASP 37 -6.485 -6.545 1.726 308 HA ASP 37 HA ASP 37 -6.666 -9.327 1.114 309 1HB ASP 37 2HB ASP 37 -7.696 -8.168 -0.931 310 2HB ASP 37 1HB ASP 37 -6.071 -7.596 -1.278 311 HA PRO 38 HA PRO 38 -2.456 -7.936 2.260 312 1HB PRO 38 2HB PRO 38 -1.960 -10.567 3.328 313 2HB PRO 38 1HB PRO 38 -2.173 -9.042 4.201 314 1HG PRO 38 2HG PRO 38 -3.935 -11.181 4.193 315 2HG PRO 38 1HG PRO 38 -4.279 -9.534 4.728 316 1HD PRO 38 2HD PRO 38 -5.098 -10.892 2.228 317 2HD PRO 38 1HD PRO 38 -5.856 -9.527 3.078 318 H SER 39 H SER 39 -3.363 -11.000 0.703 319 HA SER 39 HA SER 39 -0.789 -11.681 -0.268 320 1HB SER 39 2HB SER 39 -1.884 -13.269 -1.665 321 2HB SER 39 1HB SER 39 -2.847 -13.195 -0.194 322 HG SER 39 HG SER 39 -4.030 -11.471 -1.481 323 H GLN 40 H GLN 40 -3.242 -9.456 -1.243 324 HA GLN 40 HA GLN 40 -1.892 -8.876 -3.767 325 1HB GLN 40 2HB GLN 40 -4.542 -7.988 -2.644 326 2HB GLN 40 1HB GLN 40 -3.865 -7.358 -4.145 327 1HG GLN 40 2HG GLN 40 -3.735 -9.662 -5.043 328 2HG GLN 40 1HG GLN 40 -4.457 -10.276 -3.560 329 1HE2 GLN 40 1HE2 GLN 40 -5.558 -10.411 -6.315 330 2HE2 GLN 40 2HE2 GLN 40 -7.061 -9.624 -6.257 331 H SER 41 H SER 41 -1.199 -8.053 -0.751 332 HA SER 41 HA SER 41 -1.298 -5.248 -0.578 333 1HB SER 41 2HB SER 41 0.462 -5.427 1.068 334 2HB SER 41 1HB SER 41 -0.514 -6.874 1.260 335 HG SER 41 HG SER 41 2.009 -6.843 0.891 336 H ALA 42 H ALA 42 0.981 -7.463 -2.044 337 HA ALA 42 HA ALA 42 2.862 -5.658 -2.997 338 1HB ALA 42 1HB ALA 42 3.210 -8.089 -2.844 339 2HB ALA 42 2HB ALA 42 3.555 -7.477 -4.463 340 3HB ALA 42 3HB ALA 42 2.035 -8.313 -4.140 341 H ASN 43 H ASN 43 -0.163 -6.836 -4.384 342 HA ASN 43 HA ASN 43 0.177 -5.746 -7.001 343 1HB ASN 43 2HB ASN 43 -1.396 -7.584 -6.230 344 2HB ASN 43 1HB ASN 43 -2.381 -6.304 -5.525 345 1HD2 ASN 43 1HD2 ASN 43 -4.145 -6.694 -6.990 346 2HD2 ASN 43 2HD2 ASN 43 -4.058 -6.284 -8.634 347 H LEU 44 H LEU 44 -1.186 -4.806 -3.999 348 HA LEU 44 HA LEU 44 -2.481 -2.410 -4.840 349 1HB LEU 44 2HB LEU 44 -1.640 -3.546 -2.199 350 2HB LEU 44 1HB LEU 44 -2.592 -2.082 -2.341 351 HG LEU 44 HG LEU 44 -3.375 -4.620 -3.728 352 1HD1 LEU 44 1HD1 LEU 44 -5.147 -4.601 -1.755 353 2HD1 LEU 44 2HD1 LEU 44 -3.814 -3.838 -0.888 354 3HD1 LEU 44 3HD1 LEU 44 -3.606 -5.438 -1.595 355 1HD2 LEU 44 1HD2 LEU 44 -4.350 -2.722 -4.653 356 2HD2 LEU 44 2HD2 LEU 44 -4.638 -1.995 -3.060 357 3HD2 LEU 44 3HD2 LEU 44 -5.592 -3.392 -3.586 358 H LEU 45 H LEU 45 0.462 -3.200 -3.189 359 HA LEU 45 HA LEU 45 1.417 -0.524 -3.053 360 1HB LEU 45 2HB LEU 45 2.914 -1.501 -1.688 361 2HB LEU 45 1HB LEU 45 2.094 -3.003 -1.977 362 HG LEU 45 HG LEU 45 3.563 -3.240 -4.026 363 1HD1 LEU 45 1HD1 LEU 45 5.718 -1.711 -2.969 364 2HD1 LEU 45 2HD1 LEU 45 4.307 -0.642 -3.056 365 3HD1 LEU 45 3HD1 LEU 45 4.888 -1.481 -4.503 366 1HD2 LEU 45 1HD2 LEU 45 5.317 -4.238 -2.668 367 2HD2 LEU 45 2HD2 LEU 45 3.781 -4.449 -1.815 368 3HD2 LEU 45 3HD2 LEU 45 4.908 -3.185 -1.311 369 H ALA 46 H ALA 46 1.479 -3.127 -5.311 370 HA ALA 46 HA ALA 46 3.386 -2.070 -7.176 371 1HB ALA 46 1HB ALA 46 1.043 -3.952 -7.462 372 2HB ALA 46 2HB ALA 46 2.757 -4.356 -7.524 373 3HB ALA 46 3HB ALA 46 2.005 -3.456 -8.845 374 H GLU 47 H GLU 47 -0.103 -1.881 -6.688 375 HA GLU 47 HA GLU 47 -0.703 -0.270 -8.937 376 1HB GLU 47 2HB GLU 47 -2.013 -1.344 -6.567 377 2HB GLU 47 1HB GLU 47 -2.529 0.309 -6.906 378 1HG GLU 47 2HG GLU 47 -2.400 -1.772 -9.082 379 2HG GLU 47 1HG GLU 47 -3.831 -1.579 -8.073 380 H ALA 48 H ALA 48 0.026 0.303 -5.599 381 HA ALA 48 HA ALA 48 -0.343 3.049 -5.450 382 1HB ALA 48 1HB ALA 48 0.211 1.247 -3.649 383 2HB ALA 48 2HB ALA 48 0.734 2.912 -3.418 384 3HB ALA 48 3HB ALA 48 1.874 1.698 -3.998 385 H LYS 49 H LYS 49 2.541 1.159 -6.257 386 HA LYS 49 HA LYS 49 4.220 3.417 -6.726 387 1HB LYS 49 2HB LYS 49 4.348 0.546 -7.679 388 2HB LYS 49 1HB LYS 49 5.571 1.746 -8.102 389 1HG LYS 49 2HG LYS 49 5.950 2.184 -5.684 390 2HG LYS 49 1HG LYS 49 4.779 0.928 -5.287 391 1HD LYS 49 2HD LYS 49 6.173 -0.743 -6.462 392 2HD LYS 49 1HD LYS 49 7.347 0.515 -6.853 393 1HE LYS 49 2HE LYS 49 8.123 0.664 -4.685 394 2HE LYS 49 1HE LYS 49 6.571 0.206 -3.986 395 1HZ LYS 49 1HZ LYS 49 8.323 -1.513 -3.779 396 2HZ LYS 49 2HZ LYS 49 8.338 -1.660 -5.472 397 3HZ LYS 49 3HZ LYS 49 6.938 -2.053 -4.595 398 H LYS 50 H LYS 50 1.935 1.561 -8.630 399 HA LYS 50 HA LYS 50 2.532 2.778 -11.153 400 1HB LYS 50 2HB LYS 50 1.328 0.549 -10.673 401 2HB LYS 50 1HB LYS 50 -0.099 1.526 -10.355 402 1HG LYS 50 2HG LYS 50 -0.429 1.989 -12.557 403 2HG LYS 50 1HG LYS 50 1.290 2.211 -12.869 404 1HD LYS 50 2HD LYS 50 0.434 0.244 -14.090 405 2HD LYS 50 1HD LYS 50 1.616 -0.240 -12.879 406 1HE LYS 50 2HE LYS 50 -0.288 -1.765 -12.795 407 2HE LYS 50 1HE LYS 50 -0.268 -0.801 -11.320 408 1HZ LYS 50 1HZ LYS 50 -1.742 0.406 -13.479 409 2HZ LYS 50 2HZ LYS 50 -2.185 0.179 -11.855 410 3HZ LYS 50 3HZ LYS 50 -2.385 -1.081 -12.978 411 H LEU 51 H LEU 51 0.361 3.397 -8.480 412 HA LEU 51 HA LEU 51 -1.243 5.457 -9.619 413 1HB LEU 51 2HB LEU 51 -0.670 4.330 -6.939 414 2HB LEU 51 1HB LEU 51 -1.286 5.952 -6.991 415 HG LEU 51 HG LEU 51 -3.009 4.174 -6.710 416 1HD1 LEU 51 1HD1 LEU 51 -4.472 5.183 -8.628 417 2HD1 LEU 51 2HD1 LEU 51 -3.079 6.241 -8.860 418 3HD1 LEU 51 3HD1 LEU 51 -3.910 6.208 -7.296 419 1HD2 LEU 51 1HD2 LEU 51 -3.651 3.222 -9.136 420 2HD2 LEU 51 2HD2 LEU 51 -2.562 2.353 -8.046 421 3HD2 LEU 51 3HD2 LEU 51 -1.905 3.337 -9.354 422 H ASN 52 H ASN 52 1.565 5.339 -7.530 423 HA ASN 52 HA ASN 52 1.917 8.054 -7.013 424 1HB ASN 52 2HB ASN 52 3.006 6.176 -5.803 425 2HB ASN 52 1HB ASN 52 3.979 5.838 -7.227 426 1HD2 ASN 52 1HD2 ASN 52 5.893 7.035 -7.488 427 2HD2 ASN 52 2HD2 ASN 52 6.350 8.319 -6.477 428 H ASP 53 H ASP 53 3.286 5.922 -9.421 429 HA ASP 53 HA ASP 53 4.754 7.896 -10.789 430 1HB ASP 53 2HB ASP 53 3.868 5.127 -11.582 431 2HB ASP 53 1HB ASP 53 5.000 6.106 -12.512 432 H ALA 54 H ALA 54 1.574 6.445 -11.214 433 HA ALA 54 HA ALA 54 1.064 7.525 -13.813 434 1HB ALA 54 1HB ALA 54 -1.291 6.886 -13.279 435 2HB ALA 54 2HB ALA 54 -0.736 6.456 -11.661 436 3HB ALA 54 3HB ALA 54 -0.118 5.585 -13.071 437 H GLN 55 H GLN 55 0.136 8.598 -10.527 438 HA GLN 55 HA GLN 55 -1.491 10.740 -11.627 439 1HB GLN 55 2HB GLN 55 -0.602 10.049 -8.830 440 2HB GLN 55 1HB GLN 55 -1.730 11.334 -9.237 441 1HG GLN 55 2HG GLN 55 -3.275 9.713 -10.220 442 2HG GLN 55 1HG GLN 55 -2.138 8.405 -9.881 443 1HE2 GLN 55 1HE2 GLN 55 -1.806 10.604 -7.380 444 2HE2 GLN 55 2HE2 GLN 55 -2.875 9.877 -6.276 445 H ALA 56 H ALA 56 1.485 10.358 -9.828 446 HA ALA 56 HA ALA 56 3.110 11.892 -9.191 447 1HB ALA 56 1HB ALA 56 3.679 11.284 -11.544 448 2HB ALA 56 2HB ALA 56 4.236 12.895 -11.089 449 3HB ALA 56 3HB ALA 56 2.795 12.709 -12.091 450 HA PRO 57 HA PRO 57 -0.592 15.079 -8.849 451 1HB PRO 57 2HB PRO 57 0.422 15.341 -6.142 452 2HB PRO 57 1HB PRO 57 -1.140 14.697 -6.684 453 1HG PRO 57 2HG PRO 57 1.398 13.277 -6.126 454 2HG PRO 57 1HG PRO 57 -0.278 12.723 -5.922 455 1HD PRO 57 2HD PRO 57 1.087 11.734 -7.941 456 2HD PRO 57 1HD PRO 57 -0.533 12.367 -8.258 457 H LYS 58 H LYS 58 0.153 16.798 -9.976 458 HA LYS 58 HA LYS 58 2.695 18.077 -9.363 459 1HB LYS 58 2HB LYS 58 0.545 18.740 -11.396 460 2HB LYS 58 1HB LYS 58 2.101 19.563 -11.266 461 1HG LYS 58 2HG LYS 58 3.249 17.369 -11.618 462 2HG LYS 58 1HG LYS 58 1.671 16.616 -11.859 463 1HD LYS 58 2HD LYS 58 1.246 18.207 -13.743 464 2HD LYS 58 1HD LYS 58 2.886 18.829 -13.545 465 1HE LYS 58 2HE LYS 58 3.800 16.579 -13.988 466 2HE LYS 58 1HE LYS 58 2.163 15.949 -14.178 467 1HZ LYS 58 1HZ LYS 58 1.817 17.348 -16.058 468 2HZ LYS 58 2HZ LYS 58 3.281 16.520 -16.298 469 3HZ LYS 58 3HZ LYS 58 3.292 18.150 -15.817 Start of MODEL 24 1 1H VAL 1 1HT VAL 1 0.896 -10.599 16.226 2 2H VAL 1 2HT VAL 1 1.681 -12.097 16.078 3 3H VAL 1 3HT VAL 1 1.955 -11.124 17.442 4 HA VAL 1 HA VAL 1 0.438 -13.057 17.811 5 HB VAL 1 HB VAL 1 -1.262 -11.653 19.048 6 1HG1 VAL 1 1HG1 VAL 1 1.615 -10.732 19.354 7 2HG1 VAL 1 2HG1 VAL 1 0.973 -12.243 19.998 8 3HG1 VAL 1 3HG1 VAL 1 0.363 -10.701 20.595 9 1HG2 VAL 1 1HG2 VAL 1 -0.882 -9.182 19.040 10 2HG2 VAL 1 2HG2 VAL 1 -1.440 -9.776 17.477 11 3HG2 VAL 1 3HG2 VAL 1 0.263 -9.381 17.713 12 H ASP 2 H ASP 2 -0.611 -10.570 15.554 13 HA ASP 2 HA ASP 2 -3.173 -11.794 15.005 14 1HB ASP 2 2HB ASP 2 -3.511 -9.999 13.497 15 2HB ASP 2 1HB ASP 2 -2.575 -9.298 14.813 16 H ASN 3 H ASN 3 -3.394 -11.685 12.295 17 HA ASN 3 HA ASN 3 -2.178 -14.130 11.432 18 1HB ASN 3 2HB ASN 3 -4.450 -13.044 10.730 19 2HB ASN 3 1HB ASN 3 -3.469 -12.128 9.591 20 1HD2 ASN 3 1HD2 ASN 3 -4.194 -15.511 10.575 21 2HD2 ASN 3 2HD2 ASN 3 -3.894 -16.176 9.043 22 H LYS 4 H LYS 4 -1.386 -13.736 8.840 23 HA LYS 4 HA LYS 4 1.191 -12.511 9.183 24 1HB LYS 4 2HB LYS 4 -0.047 -13.711 6.704 25 2HB LYS 4 1HB LYS 4 1.652 -13.293 6.907 26 1HG LYS 4 2HG LYS 4 1.784 -14.895 8.824 27 2HG LYS 4 1HG LYS 4 0.119 -15.379 8.493 28 1HD LYS 4 2HD LYS 4 0.815 -16.013 6.169 29 2HD LYS 4 1HD LYS 4 2.484 -15.653 6.610 30 1HE LYS 4 2HE LYS 4 0.748 -17.663 8.077 31 2HE LYS 4 1HE LYS 4 1.888 -18.093 6.802 32 1HZ LYS 4 1HZ LYS 4 2.978 -18.364 8.879 33 2HZ LYS 4 2HZ LYS 4 2.507 -16.821 9.410 34 3HZ LYS 4 3HZ LYS 4 3.635 -16.980 8.150 35 H PHE 5 H PHE 5 -1.658 -11.164 8.760 36 HA PHE 5 HA PHE 5 -1.571 -9.496 6.535 37 1HB PHE 5 2HB PHE 5 -2.763 -9.268 9.277 38 2HB PHE 5 1HB PHE 5 -2.821 -7.910 8.168 39 HD1 PHE 5 1HD PHE 5 -5.045 -7.745 7.519 40 HD2 PHE 5 2HD PHE 5 -3.100 -11.590 7.462 41 HE1 PHE 5 1HE PHE 5 -7.040 -8.724 6.434 42 HE2 PHE 5 2HE PHE 5 -5.115 -12.567 6.364 43 HZ PHE 5 HZ PHE 5 -7.075 -11.118 5.851 44 H ASN 6 H ASN 6 -0.663 -8.655 9.891 45 HA ASN 6 HA ASN 6 0.243 -6.090 9.326 46 1HB ASN 6 2HB ASN 6 1.058 -7.986 11.516 47 2HB ASN 6 1HB ASN 6 1.531 -6.292 11.456 48 1HD2 ASN 6 1HD2 ASN 6 0.044 -6.973 13.654 49 2HD2 ASN 6 2HD2 ASN 6 -1.554 -6.419 13.509 50 H LYS 7 H LYS 7 2.168 -9.089 9.533 51 HA LYS 7 HA LYS 7 4.649 -7.888 9.065 52 1HB LYS 7 2HB LYS 7 4.398 -10.167 9.899 53 2HB LYS 7 1HB LYS 7 3.731 -10.675 8.351 54 1HG LYS 7 2HG LYS 7 6.055 -11.292 8.337 55 2HG LYS 7 1HG LYS 7 5.905 -9.895 7.277 56 1HD LYS 7 2HD LYS 7 6.433 -9.235 10.120 57 2HD LYS 7 1HD LYS 7 7.736 -10.105 9.313 58 1HE LYS 7 2HE LYS 7 7.488 -8.386 7.411 59 2HE LYS 7 1HE LYS 7 6.515 -7.448 8.543 60 1HZ LYS 7 1HZ LYS 7 8.392 -7.560 10.115 61 2HZ LYS 7 2HZ LYS 7 8.777 -6.736 8.679 62 3HZ LYS 7 3HZ LYS 7 9.324 -8.326 8.922 63 H GLU 8 H GLU 8 2.191 -9.130 6.853 64 HA GLU 8 HA GLU 8 3.737 -8.676 4.459 65 1HB GLU 8 2HB GLU 8 1.910 -10.345 4.666 66 2HB GLU 8 1HB GLU 8 0.750 -9.038 4.893 67 1HG GLU 8 2HG GLU 8 0.877 -8.352 2.704 68 2HG GLU 8 1HG GLU 8 2.516 -8.957 2.479 69 H ARG 9 H ARG 9 1.434 -6.908 6.378 70 HA ARG 9 HA ARG 9 1.007 -4.750 4.607 71 1HB ARG 9 2HB ARG 9 0.379 -5.254 7.496 72 2HB ARG 9 1HB ARG 9 0.107 -3.670 6.774 73 1HG ARG 9 2HG ARG 9 -1.443 -4.516 5.216 74 2HG ARG 9 1HG ARG 9 -0.948 -6.182 5.467 75 1HD ARG 9 2HD ARG 9 -3.075 -5.823 6.570 76 2HD ARG 9 1HD ARG 9 -1.833 -6.029 7.803 77 HE ARG 9 HE ARG 9 -1.864 -3.595 8.112 78 1HH1 ARG 9 1HH2 ARG 9 -4.607 -4.571 8.847 79 2HH1 ARG 9 2HH2 ARG 9 -5.631 -3.469 7.990 80 1HH2 ARG 9 1HH1 ARG 9 -3.108 -2.357 5.891 81 2HH2 ARG 9 2HH1 ARG 9 -4.781 -2.215 6.315 82 H VAL 10 H VAL 10 3.330 -5.348 7.196 83 HA VAL 10 HA VAL 10 4.173 -2.692 7.621 84 HB VAL 10 HB VAL 10 6.016 -5.095 7.691 85 1HG1 VAL 10 1HG1 VAL 10 7.430 -3.773 9.039 86 2HG1 VAL 10 2HG1 VAL 10 6.146 -2.631 9.434 87 3HG1 VAL 10 3HG1 VAL 10 6.859 -2.628 7.818 88 1HG2 VAL 10 1HG2 VAL 10 5.304 -4.592 10.315 89 2HG2 VAL 10 2HG2 VAL 10 4.706 -5.918 9.320 90 3HG2 VAL 10 3HG2 VAL 10 3.772 -4.423 9.458 91 H ILE 11 H ILE 11 5.269 -5.256 5.600 92 HA ILE 11 HA ILE 11 7.366 -4.001 4.278 93 HB ILE 11 HB ILE 11 5.466 -6.183 3.394 94 1HG1 ILE 11 2HG1 ILE 11 8.211 -6.473 4.654 95 2HG1 ILE 11 1HG1 ILE 11 6.720 -6.502 5.604 96 1HG2 ILE 11 1HG2 ILE 11 7.150 -6.857 1.832 97 2HG2 ILE 11 2HG2 ILE 11 8.284 -5.644 2.437 98 3HG2 ILE 11 3HG2 ILE 11 6.835 -5.136 1.562 99 1HD1 ILE 11 1HD1 ILE 11 7.690 -8.771 4.778 100 2HD1 ILE 11 2HD1 ILE 11 7.058 -8.301 3.199 101 3HD1 ILE 11 3HD1 ILE 11 5.960 -8.486 4.572 102 H ALA 12 H ALA 12 3.999 -4.475 3.445 103 HA ALA 12 HA ALA 12 4.043 -3.082 0.981 104 1HB ALA 12 1HB ALA 12 1.484 -3.186 1.518 105 2HB ALA 12 2HB ALA 12 2.035 -4.259 2.824 106 3HB ALA 12 3HB ALA 12 2.408 -4.638 1.130 107 H ILE 13 H ILE 13 2.760 -2.149 4.197 108 HA ILE 13 HA ILE 13 1.778 0.360 3.398 109 HB ILE 13 HB ILE 13 1.272 -0.827 5.588 110 1HG1 ILE 13 2HG1 ILE 13 1.885 2.022 5.156 111 2HG1 ILE 13 1HG1 ILE 13 0.419 1.277 5.768 112 1HG2 ILE 13 1HG2 ILE 13 3.846 0.399 6.606 113 2HG2 ILE 13 2HG2 ILE 13 3.803 -1.241 5.994 114 3HG2 ILE 13 3HG2 ILE 13 2.819 -0.807 7.379 115 1HD1 ILE 13 1HD1 ILE 13 2.951 1.903 7.292 116 2HD1 ILE 13 2HD1 ILE 13 1.653 0.899 7.944 117 3HD1 ILE 13 3HD1 ILE 13 1.345 2.592 7.553 118 H GLY 14 H GLY 14 4.861 -0.833 4.480 119 1HA GLY 14 2HA GLY 14 6.194 1.621 4.735 120 2HA GLY 14 1HA GLY 14 6.958 0.034 4.535 121 H GLU 15 H GLU 15 5.641 -0.679 2.055 122 HA GLU 15 HA GLU 15 7.373 0.606 0.186 123 1HB GLU 15 2HB GLU 15 4.952 -1.178 -0.159 124 2HB GLU 15 1HB GLU 15 5.935 -0.621 -1.506 125 1HG GLU 15 2HG GLU 15 7.543 -1.810 0.632 126 2HG GLU 15 1HG GLU 15 6.338 -2.933 -0.014 127 H ILE 16 H ILE 16 3.899 0.684 0.797 128 HA ILE 16 HA ILE 16 3.317 2.540 -1.212 129 HB ILE 16 HB ILE 16 1.781 1.300 1.010 130 1HG1 ILE 16 2HG1 ILE 16 1.419 1.318 -1.986 131 2HG1 ILE 16 1HG1 ILE 16 2.509 0.212 -1.176 132 1HG2 ILE 16 1HG2 ILE 16 -0.070 2.602 0.770 133 2HG2 ILE 16 2HG2 ILE 16 0.200 2.864 -0.964 134 3HG2 ILE 16 3HG2 ILE 16 1.055 3.844 0.225 135 1HD1 ILE 16 1HD1 ILE 16 0.771 -1.145 -0.824 136 2HD1 ILE 16 2HD1 ILE 16 -0.325 0.053 -1.504 137 3HD1 ILE 16 3HD1 ILE 16 0.067 0.085 0.221 138 H MET 17 H MET 17 3.833 2.923 2.244 139 HA MET 17 HA MET 17 3.036 5.640 2.398 140 1HB MET 17 2HB MET 17 4.802 3.911 4.147 141 2HB MET 17 1HB MET 17 4.446 5.601 4.531 142 1HG MET 17 2HG MET 17 2.288 3.542 3.996 143 2HG MET 17 1HG MET 17 2.890 3.896 5.612 144 1HE MET 17 1HE MET 17 -0.791 5.396 4.849 145 2HE MET 17 2HE MET 17 0.080 3.987 5.451 146 3HE MET 17 3HE MET 17 -0.050 4.252 3.717 147 H ARG 18 H ARG 18 5.842 4.112 1.127 148 HA ARG 18 HA ARG 18 7.724 6.245 1.409 149 1HB ARG 18 2HB ARG 18 8.421 3.932 0.989 150 2HB ARG 18 1HB ARG 18 7.577 3.942 -0.555 151 1HG ARG 18 2HG ARG 18 9.055 5.784 -1.335 152 2HG ARG 18 1HG ARG 18 9.936 5.695 0.194 153 1HD ARG 18 2HD ARG 18 10.434 3.293 -0.297 154 2HD ARG 18 1HD ARG 18 9.652 3.489 -1.864 155 HE ARG 18 HE ARG 18 11.750 5.419 -1.389 156 1HH1 ARG 18 1HH1 ARG 18 12.937 2.623 -1.024 157 2HH1 ARG 18 2HH1 ARG 18 13.495 2.280 -2.628 158 1HH2 ARG 18 1HH2 ARG 18 11.631 4.802 -4.095 159 2HH2 ARG 18 2HH2 ARG 18 12.754 3.513 -4.366 160 H LEU 19 H LEU 19 5.321 5.323 -0.954 161 HA LEU 19 HA LEU 19 5.924 6.699 -3.197 162 1HB LEU 19 2HB LEU 19 3.175 6.517 -1.969 163 2HB LEU 19 1HB LEU 19 3.566 6.683 -3.683 164 HG LEU 19 HG LEU 19 4.429 4.351 -1.940 165 1HD1 LEU 19 1HD1 LEU 19 2.789 3.011 -2.995 166 2HD1 LEU 19 2HD1 LEU 19 2.398 4.277 -4.164 167 3HD1 LEU 19 3HD1 LEU 19 1.948 4.466 -2.469 168 1HD2 LEU 19 1HD2 LEU 19 6.026 4.292 -3.531 169 2HD2 LEU 19 2HD2 LEU 19 5.083 5.262 -4.675 170 3HD2 LEU 19 3HD2 LEU 19 4.751 3.534 -4.492 171 HA PRO 20 HA PRO 20 6.094 10.900 -1.508 172 1HB PRO 20 2HB PRO 20 7.320 11.778 -3.946 173 2HB PRO 20 1HB PRO 20 8.091 11.486 -2.383 174 1HG PRO 20 2HG PRO 20 8.403 9.999 -4.734 175 2HG PRO 20 1HG PRO 20 8.985 9.573 -3.113 176 1HD PRO 20 2HD PRO 20 6.703 8.494 -4.625 177 2HD PRO 20 1HD PRO 20 7.574 7.800 -3.244 178 H ASN 21 H ASN 21 4.524 9.793 -4.419 179 HA ASN 21 HA ASN 21 3.592 12.506 -5.083 180 1HB ASN 21 2HB ASN 21 3.028 9.886 -6.487 181 2HB ASN 21 1HB ASN 21 2.678 11.487 -7.096 182 1HD2 ASN 21 1HD2 ASN 21 4.478 9.684 -8.455 183 2HD2 ASN 21 2HD2 ASN 21 6.040 10.350 -8.388 184 H LEU 22 H LEU 22 2.075 9.370 -4.447 185 HA LEU 22 HA LEU 22 -0.568 10.022 -4.455 186 1HB LEU 22 2HB LEU 22 0.901 8.233 -2.523 187 2HB LEU 22 1HB LEU 22 -0.857 8.253 -2.718 188 HG LEU 22 HG LEU 22 0.902 7.936 -5.129 189 1HD1 LEU 22 1HD1 LEU 22 1.649 6.310 -3.431 190 2HD1 LEU 22 2HD1 LEU 22 0.890 5.535 -4.817 191 3HD1 LEU 22 3HD1 LEU 22 0.002 5.703 -3.300 192 1HD2 LEU 22 1HD2 LEU 22 -1.473 6.328 -4.967 193 2HD2 LEU 22 2HD2 LEU 22 -1.089 7.630 -6.105 194 3HD2 LEU 22 3HD2 LEU 22 -1.873 8.002 -4.568 195 H ASN 23 H ASN 23 -2.104 10.645 -3.005 196 HA ASN 23 HA ASN 23 -1.209 12.529 -0.940 197 1HB ASN 23 2HB ASN 23 -3.765 12.841 -0.724 198 2HB ASN 23 1HB ASN 23 -3.013 13.407 -2.213 199 1HD2 ASN 23 1HD2 ASN 23 -3.714 12.457 -4.174 200 2HD2 ASN 23 2HD2 ASN 23 -4.816 11.168 -4.253 201 H SER 24 H SER 24 -2.128 12.285 1.251 202 HA SER 24 HA SER 24 -1.521 9.840 2.348 203 1HB SER 24 2HB SER 24 -2.818 10.514 4.318 204 2HB SER 24 1HB SER 24 -1.735 11.779 3.734 205 HG SER 24 HG SER 24 -4.530 11.536 3.269 206 H LEU 25 H LEU 25 -4.636 10.898 1.072 207 HA LEU 25 HA LEU 25 -6.187 8.778 2.107 208 1HB LEU 25 2HB LEU 25 -6.589 10.195 -0.523 209 2HB LEU 25 1HB LEU 25 -7.796 9.348 0.427 210 HG LEU 25 HG LEU 25 -7.178 11.051 2.308 211 1HD1 LEU 25 1HD1 LEU 25 -5.733 12.124 -0.050 212 2HD1 LEU 25 2HD1 LEU 25 -5.472 12.435 1.664 213 3HD1 LEU 25 3HD1 LEU 25 -6.742 13.293 0.798 214 1HD2 LEU 25 1HD2 LEU 25 -9.341 11.169 1.431 215 2HD2 LEU 25 2HD2 LEU 25 -8.752 11.477 -0.205 216 3HD2 LEU 25 3HD2 LEU 25 -8.699 12.759 1.008 217 H GLN 26 H GLN 26 -4.537 9.152 -1.027 218 HA GLN 26 HA GLN 26 -5.258 6.604 -1.978 219 1HB GLN 26 2HB GLN 26 -3.049 8.474 -2.657 220 2HB GLN 26 1HB GLN 26 -3.206 6.914 -3.433 221 1HG GLN 26 2HG GLN 26 -5.462 8.919 -3.286 222 2HG GLN 26 1HG GLN 26 -4.331 8.856 -4.646 223 1HE2 GLN 26 1HE2 GLN 26 -4.123 6.511 -5.631 224 2HE2 GLN 26 2HE2 GLN 26 -5.574 5.646 -5.788 225 H VAL 27 H VAL 27 -2.492 7.893 -0.311 226 HA VAL 27 HA VAL 27 -0.862 5.639 -0.191 227 HB VAL 27 HB VAL 27 -1.303 8.061 1.551 228 1HG1 VAL 27 1HG1 VAL 27 0.302 5.676 2.207 229 2HG1 VAL 27 2HG1 VAL 27 -0.402 6.916 3.259 230 3HG1 VAL 27 3HG1 VAL 27 1.107 7.235 2.402 231 1HG2 VAL 27 1HG2 VAL 27 0.765 7.168 -0.451 232 2HG2 VAL 27 2HG2 VAL 27 1.133 8.428 0.726 233 3HG2 VAL 27 3HG2 VAL 27 -0.178 8.658 -0.431 234 H VAL 28 H VAL 28 -3.446 6.835 1.826 235 HA VAL 28 HA VAL 28 -3.381 4.655 3.677 236 HB VAL 28 HB VAL 28 -5.456 6.791 3.311 237 1HG1 VAL 28 1HG1 VAL 28 -6.143 6.047 5.594 238 2HG1 VAL 28 2HG1 VAL 28 -4.931 4.762 5.522 239 3HG1 VAL 28 3HG1 VAL 28 -6.323 4.729 4.428 240 1HG2 VAL 28 1HG2 VAL 28 -2.833 6.990 4.114 241 2HG2 VAL 28 2HG2 VAL 28 -3.640 6.659 5.649 242 3HG2 VAL 28 3HG2 VAL 28 -4.124 8.059 4.684 243 H ALA 29 H ALA 29 -5.102 5.433 0.816 244 HA ALA 29 HA ALA 29 -7.229 3.656 0.835 245 1HB ALA 29 1HB ALA 29 -5.491 4.176 -1.577 246 2HB ALA 29 2HB ALA 29 -6.522 5.445 -0.899 247 3HB ALA 29 3HB ALA 29 -7.242 3.951 -1.503 248 H PHE 30 H PHE 30 -3.847 3.320 0.100 249 HA PHE 30 HA PHE 30 -4.003 0.646 -0.770 250 1HB PHE 30 2HB PHE 30 -1.847 2.548 -0.003 251 2HB PHE 30 1HB PHE 30 -1.515 0.850 -0.255 252 HD1 PHE 30 1HD PHE 30 -1.912 3.953 -1.829 253 HD2 PHE 30 2HD PHE 30 -2.532 -0.234 -2.394 254 HE1 PHE 30 1HE PHE 30 -2.136 4.333 -4.215 255 HE2 PHE 30 2HE PHE 30 -2.672 0.117 -4.825 256 HZ PHE 30 HZ PHE 30 -2.505 2.407 -5.767 257 H ILE 31 H ILE 31 -3.317 2.346 2.302 258 HA ILE 31 HA ILE 31 -2.445 0.070 3.737 259 HB ILE 31 HB ILE 31 -4.288 2.233 4.818 260 1HG1 ILE 31 2HG1 ILE 31 -1.270 2.091 5.002 261 2HG1 ILE 31 1HG1 ILE 31 -2.133 3.122 3.866 262 1HG2 ILE 31 1HG2 ILE 31 -4.260 0.366 6.321 263 2HG2 ILE 31 2HG2 ILE 31 -3.145 1.559 6.994 264 3HG2 ILE 31 3HG2 ILE 31 -2.516 0.158 6.130 265 1HD1 ILE 31 1HD1 ILE 31 -3.288 3.452 6.482 266 2HD1 ILE 31 2HD1 ILE 31 -2.490 4.658 5.484 267 3HD1 ILE 31 3HD1 ILE 31 -1.543 3.674 6.596 268 H ASN 32 H ASN 32 -5.565 1.385 2.869 269 HA ASN 32 HA ASN 32 -7.190 -0.480 4.256 270 1HB ASN 32 2HB ASN 32 -7.556 1.538 2.091 271 2HB ASN 32 1HB ASN 32 -8.846 0.369 2.373 272 1HD2 ASN 32 1HD2 ASN 32 -7.589 3.362 3.397 273 2HD2 ASN 32 2HD2 ASN 32 -8.429 3.486 4.866 274 H SER 33 H SER 33 -5.901 -0.442 0.933 275 HA SER 33 HA SER 33 -7.350 -2.667 0.012 276 1HB SER 33 2HB SER 33 -4.605 -1.772 -0.853 277 2HB SER 33 1HB SER 33 -5.744 -2.752 -1.771 278 HG SER 33 HG SER 33 -6.213 -0.108 -0.846 279 H LEU 34 H LEU 34 -4.321 -2.387 1.791 280 HA LEU 34 HA LEU 34 -3.386 -5.043 1.495 281 1HB LEU 34 2HB LEU 34 -3.063 -3.659 4.143 282 2HB LEU 34 1HB LEU 34 -1.940 -4.710 3.293 283 HG LEU 34 HG LEU 34 -2.599 -1.837 2.697 284 1HD1 LEU 34 1HD1 LEU 34 -0.025 -1.759 2.814 285 2HD1 LEU 34 2HD1 LEU 34 -0.160 -3.330 3.599 286 3HD1 LEU 34 3HD1 LEU 34 -0.920 -1.914 4.327 287 1HD2 LEU 34 1HD2 LEU 34 -1.409 -3.943 0.955 288 2HD2 LEU 34 2HD2 LEU 34 -0.677 -2.338 0.914 289 3HD2 LEU 34 3HD2 LEU 34 -2.382 -2.543 0.511 290 H ARG 35 H ARG 35 -5.512 -3.630 3.950 291 HA ARG 35 HA ARG 35 -5.904 -6.091 5.351 292 1HB ARG 35 2HB ARG 35 -7.065 -4.842 6.867 293 2HB ARG 35 1HB ARG 35 -6.231 -3.540 6.040 294 1HG ARG 35 2HG ARG 35 -8.317 -3.444 4.508 295 2HG ARG 35 1HG ARG 35 -9.107 -4.375 5.774 296 1HD ARG 35 2HD ARG 35 -8.311 -2.613 7.419 297 2HD ARG 35 1HD ARG 35 -7.804 -1.647 6.037 298 HE ARG 35 HE ARG 35 -10.327 -1.535 7.038 299 1HH1 ARG 35 1HH2 ARG 35 -9.046 -0.958 4.095 300 2HH1 ARG 35 2HH2 ARG 35 -10.438 -1.368 3.151 301 1HH2 ARG 35 1HH1 ARG 35 -12.132 -2.811 5.802 302 2HH2 ARG 35 2HH1 ARG 35 -12.183 -2.415 4.117 303 H ASP 36 H ASP 36 -7.525 -4.422 2.751 304 HA ASP 36 HA ASP 36 -9.861 -6.063 2.664 305 1HB ASP 36 2HB ASP 36 -8.497 -4.313 0.590 306 2HB ASP 36 1HB ASP 36 -10.032 -5.132 0.315 307 H ASP 37 H ASP 37 -6.575 -6.335 1.698 308 HA ASP 37 HA ASP 37 -6.809 -9.095 1.010 309 1HB ASP 37 2HB ASP 37 -7.744 -7.851 -1.037 310 2HB ASP 37 1HB ASP 37 -6.093 -7.327 -1.324 311 HA PRO 38 HA PRO 38 -2.588 -7.799 2.298 312 1HB PRO 38 2HB PRO 38 -2.255 -10.405 3.482 313 2HB PRO 38 1HB PRO 38 -2.406 -8.839 4.289 314 1HG PRO 38 2HG PRO 38 -4.273 -10.888 4.306 315 2HG PRO 38 1HG PRO 38 -4.536 -9.214 4.801 316 1HD PRO 38 2HD PRO 38 -5.418 -10.591 2.338 317 2HD PRO 38 1HD PRO 38 -6.075 -9.136 3.118 318 H SER 39 H SER 39 -3.691 -10.791 0.789 319 HA SER 39 HA SER 39 -1.201 -11.777 -0.104 320 1HB SER 39 2HB SER 39 -3.382 -13.047 -0.139 321 2HB SER 39 1HB SER 39 -3.873 -12.059 -1.511 322 HG SER 39 HG SER 39 -1.690 -12.802 -2.362 323 H GLN 40 H GLN 40 -3.373 -9.304 -1.208 324 HA GLN 40 HA GLN 40 -1.900 -8.889 -3.679 325 1HB GLN 40 2HB GLN 40 -4.396 -7.656 -2.531 326 2HB GLN 40 1HB GLN 40 -3.625 -7.039 -3.991 327 1HG GLN 40 2HG GLN 40 -3.836 -9.251 -5.052 328 2HG GLN 40 1HG GLN 40 -4.583 -9.893 -3.597 329 1HE2 GLN 40 1HE2 GLN 40 -5.821 -6.849 -3.660 330 2HE2 GLN 40 2HE2 GLN 40 -7.200 -7.109 -4.614 331 H SER 41 H SER 41 -1.191 -8.157 -0.623 332 HA SER 41 HA SER 41 -0.791 -5.391 -0.453 333 1HB SER 41 2HB SER 41 0.877 -5.883 1.236 334 2HB SER 41 1HB SER 41 -0.385 -7.085 1.408 335 HG SER 41 HG SER 41 0.913 -8.588 0.589 336 H ALA 42 H ALA 42 0.910 -7.928 -2.069 337 HA ALA 42 HA ALA 42 3.262 -6.589 -2.853 338 1HB ALA 42 1HB ALA 42 3.559 -8.470 -4.330 339 2HB ALA 42 2HB ALA 42 1.832 -8.846 -4.248 340 3HB ALA 42 3HB ALA 42 2.859 -9.071 -2.824 341 H ASN 43 H ASN 43 0.151 -7.128 -4.361 342 HA ASN 43 HA ASN 43 0.735 -6.007 -6.917 343 1HB ASN 43 2HB ASN 43 -1.697 -6.709 -5.335 344 2HB ASN 43 1HB ASN 43 -1.827 -5.958 -6.922 345 1HD2 ASN 43 1HD2 ASN 43 -1.947 -8.943 -5.519 346 2HD2 ASN 43 2HD2 ASN 43 -1.340 -9.894 -6.786 347 H LEU 44 H LEU 44 -0.618 -4.938 -3.934 348 HA LEU 44 HA LEU 44 -1.776 -2.572 -4.819 349 1HB LEU 44 2HB LEU 44 -0.926 -3.544 -2.135 350 2HB LEU 44 1HB LEU 44 -1.809 -2.040 -2.359 351 HG LEU 44 HG LEU 44 -2.750 -4.599 -3.636 352 1HD1 LEU 44 1HD1 LEU 44 -4.369 -4.811 -1.747 353 2HD1 LEU 44 2HD1 LEU 44 -3.423 -3.614 -0.866 354 3HD1 LEU 44 3HD1 LEU 44 -2.703 -5.159 -1.307 355 1HD2 LEU 44 1HD2 LEU 44 -4.061 -1.997 -2.882 356 2HD2 LEU 44 2HD2 LEU 44 -4.905 -3.385 -3.576 357 3HD2 LEU 44 3HD2 LEU 44 -3.658 -2.558 -4.512 358 H LEU 45 H LEU 45 1.502 -3.085 -3.505 359 HA LEU 45 HA LEU 45 1.962 -0.228 -3.637 360 1HB LEU 45 2HB LEU 45 4.493 -1.507 -4.111 361 2HB LEU 45 1HB LEU 45 4.009 -0.510 -2.759 362 HG LEU 45 HG LEU 45 4.808 -2.613 -1.959 363 1HD1 LEU 45 1HD1 LEU 45 1.803 -2.526 -1.774 364 2HD1 LEU 45 2HD1 LEU 45 2.921 -1.604 -0.782 365 3HD1 LEU 45 3HD1 LEU 45 2.886 -3.364 -0.677 366 1HD2 LEU 45 1HD2 LEU 45 3.964 -3.596 -4.319 367 2HD2 LEU 45 2HD2 LEU 45 2.700 -4.204 -3.259 368 3HD2 LEU 45 3HD2 LEU 45 4.375 -4.611 -2.933 369 H ALA 46 H ALA 46 2.096 -2.969 -5.716 370 HA ALA 46 HA ALA 46 3.538 -1.895 -7.895 371 1HB ALA 46 1HB ALA 46 2.881 -3.801 -8.969 372 2HB ALA 46 2HB ALA 46 1.185 -3.559 -8.536 373 3HB ALA 46 3HB ALA 46 2.298 -4.278 -7.373 374 H GLU 47 H GLU 47 0.160 -1.887 -6.952 375 HA GLU 47 HA GLU 47 -0.919 -0.378 -9.101 376 1HB GLU 47 2HB GLU 47 -1.656 -1.309 -6.372 377 2HB GLU 47 1HB GLU 47 -2.547 0.087 -6.987 378 1HG GLU 47 2HG GLU 47 -3.496 -1.116 -8.733 379 2HG GLU 47 1HG GLU 47 -2.208 -2.320 -8.745 380 H ALA 48 H ALA 48 0.075 0.296 -5.844 381 HA ALA 48 HA ALA 48 -0.368 3.028 -5.680 382 1HB ALA 48 1HB ALA 48 0.308 1.235 -3.905 383 2HB ALA 48 2HB ALA 48 0.734 2.923 -3.678 384 3HB ALA 48 3HB ALA 48 1.936 1.780 -4.286 385 H LYS 49 H LYS 49 2.550 1.253 -6.555 386 HA LYS 49 HA LYS 49 4.181 3.528 -7.022 387 1HB LYS 49 2HB LYS 49 4.287 0.683 -8.059 388 2HB LYS 49 1HB LYS 49 5.503 1.891 -8.476 389 1HG LYS 49 2HG LYS 49 6.087 2.206 -6.143 390 2HG LYS 49 1HG LYS 49 4.766 1.175 -5.616 391 1HD LYS 49 2HD LYS 49 5.856 -0.719 -6.911 392 2HD LYS 49 1HD LYS 49 7.245 0.343 -7.150 393 1HE LYS 49 2HE LYS 49 7.537 0.550 -4.718 394 2HE LYS 49 1HE LYS 49 6.110 -0.449 -4.445 395 1HZ LYS 49 1HZ LYS 49 7.328 -2.170 -5.847 396 2HZ LYS 49 2HZ LYS 49 7.878 -1.917 -4.259 397 3HZ LYS 49 3HZ LYS 49 8.720 -1.242 -5.573 398 H LYS 50 H LYS 50 1.819 1.745 -8.942 399 HA LYS 50 HA LYS 50 2.358 3.116 -11.418 400 1HB LYS 50 2HB LYS 50 0.534 1.055 -10.464 401 2HB LYS 50 1HB LYS 50 -0.324 2.247 -11.433 402 1HG LYS 50 2HG LYS 50 0.422 0.751 -13.067 403 2HG LYS 50 1HG LYS 50 1.686 1.976 -13.094 404 1HD LYS 50 2HD LYS 50 2.977 0.047 -12.962 405 2HD LYS 50 1HD LYS 50 2.797 0.422 -11.250 406 1HE LYS 50 2HE LYS 50 0.672 -1.078 -11.364 407 2HE LYS 50 1HE LYS 50 1.351 -1.668 -12.881 408 1HZ LYS 50 1HZ LYS 50 3.304 -2.386 -11.766 409 2HZ LYS 50 2HZ LYS 50 1.981 -2.979 -10.880 410 3HZ LYS 50 3HZ LYS 50 2.846 -1.628 -10.320 411 H LEU 51 H LEU 51 0.271 3.510 -8.661 412 HA LEU 51 HA LEU 51 -1.401 5.612 -9.570 413 1HB LEU 51 2HB LEU 51 -0.718 4.245 -7.068 414 2HB LEU 51 1HB LEU 51 -1.214 5.891 -6.868 415 HG LEU 51 HG LEU 51 -3.076 4.315 -6.656 416 1HD1 LEU 51 1HD1 LEU 51 -4.626 5.558 -8.019 417 2HD1 LEU 51 2HD1 LEU 51 -3.339 6.061 -9.111 418 3HD1 LEU 51 3HD1 LEU 51 -3.372 6.666 -7.445 419 1HD2 LEU 51 1HD2 LEU 51 -3.835 3.368 -9.009 420 2HD2 LEU 51 2HD2 LEU 51 -2.645 2.493 -8.036 421 3HD2 LEU 51 3HD2 LEU 51 -2.115 3.502 -9.384 422 H ASN 52 H ASN 52 1.528 5.445 -7.678 423 HA ASN 52 HA ASN 52 1.832 8.118 -6.982 424 1HB ASN 52 2HB ASN 52 3.036 6.160 -6.013 425 2HB ASN 52 1HB ASN 52 3.950 6.012 -7.509 426 1HD2 ASN 52 1HD2 ASN 52 5.736 7.422 -7.813 427 2HD2 ASN 52 2HD2 ASN 52 6.218 8.569 -6.658 428 H ASP 53 H ASP 53 3.085 6.216 -9.631 429 HA ASP 53 HA ASP 53 4.378 8.335 -10.960 430 1HB ASP 53 2HB ASP 53 3.518 5.602 -11.897 431 2HB ASP 53 1HB ASP 53 4.572 6.681 -12.809 432 H ALA 54 H ALA 54 1.230 6.787 -11.256 433 HA ALA 54 HA ALA 54 0.460 8.017 -13.719 434 1HB ALA 54 1HB ALA 54 -0.563 5.970 -12.969 435 2HB ALA 54 2HB ALA 54 -1.801 7.225 -13.063 436 3HB ALA 54 3HB ALA 54 -1.127 6.768 -11.496 437 H GLN 55 H GLN 55 -0.245 8.797 -10.319 438 HA GLN 55 HA GLN 55 -2.095 10.881 -11.040 439 1HB GLN 55 2HB GLN 55 -0.780 10.084 -8.447 440 2HB GLN 55 1HB GLN 55 -1.901 11.429 -8.589 441 1HG GLN 55 2HG GLN 55 -3.617 9.862 -9.498 442 2HG GLN 55 1HG GLN 55 -2.498 8.528 -9.214 443 1HE2 GLN 55 1HE2 GLN 55 -1.841 10.716 -6.793 444 2HE2 GLN 55 2HE2 GLN 55 -2.867 10.077 -5.592 445 H ALA 56 H ALA 56 1.136 10.697 -9.683 446 HA ALA 56 HA ALA 56 2.660 12.414 -9.185 447 1HB ALA 56 1HB ALA 56 3.536 13.394 -11.252 448 2HB ALA 56 2HB ALA 56 2.071 12.922 -12.115 449 3HB ALA 56 3HB ALA 56 3.165 11.687 -11.494 450 HA PRO 57 HA PRO 57 -1.190 15.250 -8.637 451 1HB PRO 57 2HB PRO 57 0.149 16.009 -6.179 452 2HB PRO 57 1HB PRO 57 -1.383 15.146 -6.397 453 1HG PRO 57 2HG PRO 57 1.328 14.082 -5.953 454 2HG PRO 57 1HG PRO 57 -0.255 13.374 -5.573 455 1HD PRO 57 2HD PRO 57 1.185 12.377 -7.586 456 2HD PRO 57 1HD PRO 57 -0.563 12.570 -7.759 457 H LYS 58 H LYS 58 -0.815 16.796 -10.124 458 HA LYS 58 HA LYS 58 1.547 18.488 -10.085 459 1HB LYS 58 2HB LYS 58 -0.938 18.563 -11.820 460 2HB LYS 58 1HB LYS 58 0.503 19.546 -12.067 461 1HG LYS 58 2HG LYS 58 1.210 17.840 -13.395 462 2HG LYS 58 1HG LYS 58 1.588 17.021 -11.884 463 1HD LYS 58 2HD LYS 58 0.249 15.399 -12.830 464 2HD LYS 58 1HD LYS 58 -1.009 16.347 -12.042 465 1HE LYS 58 2HE LYS 58 -0.119 16.765 -14.914 466 2HE LYS 58 1HE LYS 58 -1.516 15.800 -14.442 467 1HZ LYS 58 1HZ LYS 58 -2.265 17.980 -14.967 468 2HZ LYS 58 2HZ LYS 58 -1.097 18.699 -13.965 469 3HZ LYS 58 3HZ LYS 58 -2.370 17.804 -13.284 Start of MODEL 25 1 1H VAL 1 1HT VAL 1 1.764 -11.226 18.867 2 2H VAL 1 2HT VAL 1 0.179 -10.736 19.231 3 3H VAL 1 3HT VAL 1 0.882 -10.311 17.743 4 HA VAL 1 HA VAL 1 1.086 -12.803 17.329 5 HB VAL 1 HB VAL 1 -1.080 -12.760 19.465 6 1HG1 VAL 1 1HG1 VAL 1 0.119 -14.997 17.795 7 2HG1 VAL 1 2HG1 VAL 1 -1.541 -14.407 17.728 8 3HG1 VAL 1 3HG1 VAL 1 -0.964 -15.249 19.165 9 1HG2 VAL 1 1HG2 VAL 1 1.095 -12.573 20.533 10 2HG2 VAL 1 2HG2 VAL 1 1.760 -13.841 19.502 11 3HG2 VAL 1 3HG2 VAL 1 0.540 -14.238 20.713 12 H ASP 2 H ASP 2 0.420 -12.188 15.340 13 HA ASP 2 HA ASP 2 -2.462 -11.799 14.910 14 1HB ASP 2 2HB ASP 2 -0.378 -9.955 13.713 15 2HB ASP 2 1HB ASP 2 -2.125 -9.852 13.509 16 H ASN 3 H ASN 3 -2.875 -11.703 12.453 17 HA ASN 3 HA ASN 3 -1.854 -14.099 11.273 18 1HB ASN 3 2HB ASN 3 -3.431 -11.857 9.976 19 2HB ASN 3 1HB ASN 3 -3.238 -13.493 9.352 20 1HD2 ASN 3 1HD2 ASN 3 -3.728 -15.127 11.503 21 2HD2 ASN 3 2HD2 ASN 3 -5.270 -14.836 12.147 22 H LYS 4 H LYS 4 -1.140 -13.901 8.821 23 HA LYS 4 HA LYS 4 1.416 -12.668 8.815 24 1HB LYS 4 2HB LYS 4 -0.099 -13.689 6.416 25 2HB LYS 4 1HB LYS 4 1.641 -13.461 6.543 26 1HG LYS 4 2HG LYS 4 0.035 -15.408 8.237 27 2HG LYS 4 1HG LYS 4 0.973 -15.852 6.813 28 1HD LYS 4 2HD LYS 4 3.012 -14.877 7.948 29 2HD LYS 4 1HD LYS 4 2.036 -14.682 9.405 30 1HE LYS 4 2HE LYS 4 1.561 -17.123 9.390 31 2HE LYS 4 1HE LYS 4 2.603 -17.300 7.977 32 1HZ LYS 4 1HZ LYS 4 4.436 -16.386 9.285 33 2HZ LYS 4 2HZ LYS 4 3.814 -17.804 9.985 34 3HZ LYS 4 3HZ LYS 4 3.428 -16.287 10.645 35 H PHE 5 H PHE 5 -1.550 -11.348 8.484 36 HA PHE 5 HA PHE 5 -1.473 -9.570 6.359 37 1HB PHE 5 2HB PHE 5 -2.670 -9.491 9.110 38 2HB PHE 5 1HB PHE 5 -2.750 -8.084 8.061 39 HD1 PHE 5 1HD PHE 5 -4.926 -7.903 7.302 40 HD2 PHE 5 2HD PHE 5 -2.992 -11.759 7.288 41 HE1 PHE 5 1HE PHE 5 -6.882 -8.864 6.138 42 HE2 PHE 5 2HE PHE 5 -4.975 -12.717 6.109 43 HZ PHE 5 HZ PHE 5 -6.906 -11.252 5.536 44 H ASN 6 H ASN 6 -0.586 -8.886 9.750 45 HA ASN 6 HA ASN 6 0.243 -6.277 9.371 46 1HB ASN 6 2HB ASN 6 1.256 -8.313 11.346 47 2HB ASN 6 1HB ASN 6 1.583 -6.586 11.433 48 1HD2 ASN 6 1HD2 ASN 6 0.187 -7.815 13.556 49 2HD2 ASN 6 2HD2 ASN 6 -1.430 -7.302 13.538 50 H LYS 7 H LYS 7 2.288 -9.216 9.278 51 HA LYS 7 HA LYS 7 4.692 -7.851 8.787 52 1HB LYS 7 2HB LYS 7 4.813 -10.112 9.470 53 2HB LYS 7 1HB LYS 7 3.785 -10.653 8.150 54 1HG LYS 7 2HG LYS 7 6.186 -11.183 7.741 55 2HG LYS 7 1HG LYS 7 5.530 -10.109 6.514 56 1HD LYS 7 2HD LYS 7 7.645 -9.181 7.074 57 2HD LYS 7 1HD LYS 7 6.490 -8.171 7.931 58 1HE LYS 7 2HE LYS 7 6.854 -9.819 9.907 59 2HE LYS 7 1HE LYS 7 8.299 -10.310 9.020 60 1HZ LYS 7 1HZ LYS 7 9.022 -8.004 8.999 61 2HZ LYS 7 2HZ LYS 7 8.800 -8.553 10.591 62 3HZ LYS 7 3HZ LYS 7 7.641 -7.542 9.869 63 H GLU 8 H GLU 8 2.250 -9.164 6.568 64 HA GLU 8 HA GLU 8 3.685 -8.481 4.183 65 1HB GLU 8 2HB GLU 8 1.862 -10.195 4.381 66 2HB GLU 8 1HB GLU 8 0.704 -8.887 4.602 67 1HG GLU 8 2HG GLU 8 0.745 -8.299 2.416 68 2HG GLU 8 1HG GLU 8 2.472 -8.595 2.248 69 H ARG 9 H ARG 9 1.399 -6.896 6.266 70 HA ARG 9 HA ARG 9 0.912 -4.640 4.631 71 1HB ARG 9 2HB ARG 9 0.276 -5.321 7.486 72 2HB ARG 9 1HB ARG 9 -0.094 -3.738 6.805 73 1HG ARG 9 2HG ARG 9 -1.537 -4.663 5.168 74 2HG ARG 9 1HG ARG 9 -0.968 -6.299 5.447 75 1HD ARG 9 2HD ARG 9 -3.114 -6.104 6.498 76 2HD ARG 9 1HD ARG 9 -1.912 -6.112 7.787 77 HE ARG 9 HE ARG 9 -2.515 -3.441 6.958 78 1HH1 ARG 9 1HH1 ARG 9 -2.437 -5.186 9.694 79 2HH1 ARG 9 2HH1 ARG 9 -3.935 -4.640 10.371 80 1HH2 ARG 9 1HH2 ARG 9 -5.009 -3.133 7.443 81 2HH2 ARG 9 2HH2 ARG 9 -5.390 -3.479 9.096 82 H VAL 10 H VAL 10 3.221 -5.337 7.219 83 HA VAL 10 HA VAL 10 3.982 -2.662 7.771 84 HB VAL 10 HB VAL 10 5.856 -5.042 7.873 85 1HG1 VAL 10 1HG1 VAL 10 6.677 -2.576 8.056 86 2HG1 VAL 10 2HG1 VAL 10 7.203 -3.722 9.294 87 3HG1 VAL 10 3HG1 VAL 10 5.896 -2.592 9.641 88 1HG2 VAL 10 1HG2 VAL 10 5.025 -4.527 10.479 89 2HG2 VAL 10 2HG2 VAL 10 4.555 -5.901 9.480 90 3HG2 VAL 10 3HG2 VAL 10 3.533 -4.458 9.542 91 H ILE 11 H ILE 11 5.243 -5.170 5.765 92 HA ILE 11 HA ILE 11 7.356 -3.803 4.583 93 HB ILE 11 HB ILE 11 5.624 -6.078 3.588 94 1HG1 ILE 11 2HG1 ILE 11 8.327 -6.195 4.969 95 2HG1 ILE 11 1HG1 ILE 11 6.801 -6.336 5.849 96 1HG2 ILE 11 1HG2 ILE 11 6.987 -4.950 1.811 97 2HG2 ILE 11 2HG2 ILE 11 7.436 -6.638 2.104 98 3HG2 ILE 11 3HG2 ILE 11 8.435 -5.331 2.749 99 1HD1 ILE 11 1HD1 ILE 11 7.433 -8.099 3.467 100 2HD1 ILE 11 2HD1 ILE 11 6.224 -8.357 4.730 101 3HD1 ILE 11 3HD1 ILE 11 7.939 -8.533 5.103 102 H ALA 12 H ALA 12 4.050 -4.397 3.554 103 HA ALA 12 HA ALA 12 4.164 -2.945 1.130 104 1HB ALA 12 1HB ALA 12 2.572 -4.592 1.277 105 2HB ALA 12 2HB ALA 12 1.630 -3.108 1.434 106 3HB ALA 12 3HB ALA 12 2.028 -4.065 2.876 107 H ILE 13 H ILE 13 2.751 -2.084 4.320 108 HA ILE 13 HA ILE 13 1.765 0.423 3.511 109 HB ILE 13 HB ILE 13 1.191 -0.788 5.671 110 1HG1 ILE 13 2HG1 ILE 13 1.779 2.074 5.296 111 2HG1 ILE 13 1HG1 ILE 13 0.310 1.297 5.853 112 1HG2 ILE 13 1HG2 ILE 13 3.692 -1.191 6.175 113 2HG2 ILE 13 2HG2 ILE 13 2.666 -0.754 7.524 114 3HG2 ILE 13 3HG2 ILE 13 3.719 0.452 6.784 115 1HD1 ILE 13 1HD1 ILE 13 1.153 2.605 7.680 116 2HD1 ILE 13 2HD1 ILE 13 2.776 1.944 7.466 117 3HD1 ILE 13 3HD1 ILE 13 1.473 0.912 8.061 118 H GLY 14 H GLY 14 4.826 -0.728 4.702 119 1HA GLY 14 2HA GLY 14 6.105 1.744 5.047 120 2HA GLY 14 1HA GLY 14 6.904 0.176 4.847 121 H GLU 15 H GLU 15 5.697 -0.511 2.318 122 HA GLU 15 HA GLU 15 7.473 0.846 0.539 123 1HB GLU 15 2HB GLU 15 5.121 -1.001 0.045 124 2HB GLU 15 1HB GLU 15 6.226 -0.443 -1.208 125 1HG GLU 15 2HG GLU 15 7.679 -1.552 1.061 126 2HG GLU 15 1HG GLU 15 6.533 -2.719 0.388 127 H ILE 16 H ILE 16 3.987 0.786 0.984 128 HA ILE 16 HA ILE 16 3.406 2.647 -1.035 129 HB ILE 16 HB ILE 16 1.804 1.374 1.149 130 1HG1 ILE 16 2HG1 ILE 16 1.890 1.079 -1.870 131 2HG1 ILE 16 1HG1 ILE 16 2.718 0.030 -0.732 132 1HG2 ILE 16 1HG2 ILE 16 1.042 3.778 -0.067 133 2HG2 ILE 16 2HG2 ILE 16 -0.019 2.614 0.721 134 3HG2 ILE 16 3HG2 ILE 16 0.238 2.538 -1.032 135 1HD1 ILE 16 1HD1 ILE 16 0.148 -0.028 0.228 136 2HD1 ILE 16 2HD1 ILE 16 0.866 -1.231 -0.857 137 3HD1 ILE 16 3HD1 ILE 16 -0.112 0.092 -1.522 138 H MET 17 H MET 17 3.913 3.015 2.405 139 HA MET 17 HA MET 17 2.928 5.678 2.593 140 1HB MET 17 2HB MET 17 4.792 4.022 4.305 141 2HB MET 17 1HB MET 17 4.414 5.707 4.696 142 1HG MET 17 2HG MET 17 2.300 3.593 4.223 143 2HG MET 17 1HG MET 17 2.912 3.998 5.823 144 1HE MET 17 1HE MET 17 -0.823 5.375 4.873 145 2HE MET 17 2HE MET 17 0.049 3.977 5.504 146 3HE MET 17 3HE MET 17 0.020 4.272 3.771 147 H ARG 18 H ARG 18 5.828 4.308 1.333 148 HA ARG 18 HA ARG 18 7.566 6.559 1.559 149 1HB ARG 18 2HB ARG 18 8.372 4.271 1.239 150 2HB ARG 18 1HB ARG 18 7.546 4.179 -0.309 151 1HG ARG 18 2HG ARG 18 8.953 6.102 -1.108 152 2HG ARG 18 1HG ARG 18 9.871 5.983 0.398 153 1HD ARG 18 2HD ARG 18 9.492 3.746 -1.608 154 2HD ARG 18 1HD ARG 18 10.949 4.724 -1.453 155 HE ARG 18 HE ARG 18 11.336 3.695 0.703 156 1HH1 ARG 18 1HH1 ARG 18 10.365 1.588 -1.552 157 2HH1 ARG 18 2HH1 ARG 18 9.589 0.444 -0.506 158 1HH2 ARG 18 1HH2 ARG 18 9.616 2.548 2.244 159 2HH2 ARG 18 2HH2 ARG 18 9.167 0.988 1.639 160 H LEU 19 H LEU 19 5.229 5.428 -0.790 161 HA LEU 19 HA LEU 19 5.796 6.754 -3.079 162 1HB LEU 19 2HB LEU 19 3.033 6.502 -1.914 163 2HB LEU 19 1HB LEU 19 3.466 6.608 -3.622 164 HG LEU 19 HG LEU 19 4.325 4.388 -1.741 165 1HD1 LEU 19 1HD1 LEU 19 2.755 2.985 -2.793 166 2HD1 LEU 19 2HD1 LEU 19 2.420 4.161 -4.063 167 3HD1 LEU 19 3HD1 LEU 19 1.869 4.456 -2.415 168 1HD2 LEU 19 1HD2 LEU 19 6.018 4.429 -3.292 169 2HD2 LEU 19 2HD2 LEU 19 4.984 5.091 -4.569 170 3HD2 LEU 19 3HD2 LEU 19 4.862 3.384 -4.125 171 HA PRO 20 HA PRO 20 5.476 11.040 -1.604 172 1HB PRO 20 2HB PRO 20 7.040 11.843 -3.887 173 2HB PRO 20 1HB PRO 20 7.551 11.743 -2.197 174 1HG PRO 20 2HG PRO 20 8.457 10.127 -4.247 175 2HG PRO 20 1HG PRO 20 8.585 9.767 -2.517 176 1HD PRO 20 2HD PRO 20 6.657 8.701 -4.532 177 2HD PRO 20 1HD PRO 20 7.357 7.917 -3.098 178 H ASN 21 H ASN 21 4.572 9.577 -4.603 179 HA ASN 21 HA ASN 21 3.313 12.033 -5.606 180 1HB ASN 21 2HB ASN 21 3.999 9.393 -6.811 181 2HB ASN 21 1HB ASN 21 2.854 10.453 -7.614 182 1HD2 ASN 21 1HD2 ASN 21 5.923 9.667 -8.003 183 2HD2 ASN 21 2HD2 ASN 21 6.626 11.173 -8.342 184 H LEU 22 H LEU 22 2.284 10.474 -3.303 185 HA LEU 22 HA LEU 22 -0.490 10.176 -4.258 186 1HB LEU 22 2HB LEU 22 0.999 8.352 -2.358 187 2HB LEU 22 1HB LEU 22 -0.755 8.324 -2.580 188 HG LEU 22 HG LEU 22 1.086 8.075 -4.954 189 1HD1 LEU 22 1HD1 LEU 22 1.146 6.305 -2.804 190 2HD1 LEU 22 2HD1 LEU 22 1.669 5.970 -4.455 191 3HD1 LEU 22 3HD1 LEU 22 0.035 5.551 -3.947 192 1HD2 LEU 22 1HD2 LEU 22 -0.863 7.778 -6.033 193 2HD2 LEU 22 2HD2 LEU 22 -1.710 8.160 -4.519 194 3HD2 LEU 22 3HD2 LEU 22 -1.315 6.482 -4.907 195 H ASN 23 H ASN 23 -2.068 10.861 -2.794 196 HA ASN 23 HA ASN 23 -1.048 12.585 -0.644 197 1HB ASN 23 2HB ASN 23 -3.654 12.903 -0.333 198 2HB ASN 23 1HB ASN 23 -2.806 13.735 -1.629 199 1HD2 ASN 23 1HD2 ASN 23 -3.434 13.275 -3.768 200 2HD2 ASN 23 2HD2 ASN 23 -4.580 12.089 -4.176 201 H SER 24 H SER 24 -2.023 12.298 1.546 202 HA SER 24 HA SER 24 -1.427 9.810 2.539 203 1HB SER 24 2HB SER 24 -2.705 10.408 4.539 204 2HB SER 24 1HB SER 24 -1.658 11.716 3.987 205 HG SER 24 HG SER 24 -4.446 11.427 3.496 206 H LEU 25 H LEU 25 -4.541 10.923 1.315 207 HA LEU 25 HA LEU 25 -6.116 8.772 2.236 208 1HB LEU 25 2HB LEU 25 -6.439 10.285 -0.353 209 2HB LEU 25 1HB LEU 25 -7.681 9.415 0.535 210 HG LEU 25 HG LEU 25 -7.059 11.045 2.495 211 1HD1 LEU 25 1HD1 LEU 25 -6.637 13.334 1.041 212 2HD1 LEU 25 2HD1 LEU 25 -5.615 12.190 0.174 213 3HD1 LEU 25 3HD1 LEU 25 -5.367 12.464 1.897 214 1HD2 LEU 25 1HD2 LEU 25 -8.590 12.788 1.249 215 2HD2 LEU 25 2HD2 LEU 25 -9.225 11.186 1.633 216 3HD2 LEU 25 3HD2 LEU 25 -8.645 11.540 0.003 217 H GLN 26 H GLN 26 -4.432 9.228 -0.873 218 HA GLN 26 HA GLN 26 -5.173 6.739 -1.940 219 1HB GLN 26 2HB GLN 26 -2.900 8.570 -2.461 220 2HB GLN 26 1HB GLN 26 -3.179 7.118 -3.387 221 1HG GLN 26 2HG GLN 26 -5.253 7.882 -4.208 222 2HG GLN 26 1HG GLN 26 -5.403 9.097 -2.935 223 1HE2 GLN 26 1HE2 GLN 26 -5.637 9.573 -5.780 224 2HE2 GLN 26 2HE2 GLN 26 -4.399 10.650 -6.215 225 H VAL 27 H VAL 27 -2.396 7.926 -0.211 226 HA VAL 27 HA VAL 27 -0.786 5.657 -0.142 227 HB VAL 27 HB VAL 27 -1.214 8.047 1.651 228 1HG1 VAL 27 1HG1 VAL 27 0.388 5.643 2.251 229 2HG1 VAL 27 2HG1 VAL 27 -0.315 6.861 3.330 230 3HG1 VAL 27 3HG1 VAL 27 1.193 7.197 2.481 231 1HG2 VAL 27 1HG2 VAL 27 -0.085 8.702 -0.301 232 2HG2 VAL 27 2HG2 VAL 27 0.826 7.196 -0.393 233 3HG2 VAL 27 3HG2 VAL 27 1.237 8.400 0.827 234 H VAL 28 H VAL 28 -3.365 6.828 1.894 235 HA VAL 28 HA VAL 28 -3.301 4.638 3.728 236 HB VAL 28 HB VAL 28 -5.357 6.789 3.370 237 1HG1 VAL 28 1HG1 VAL 28 -6.095 6.018 5.631 238 2HG1 VAL 28 2HG1 VAL 28 -4.923 4.700 5.543 239 3HG1 VAL 28 3HG1 VAL 28 -6.298 4.738 4.429 240 1HG2 VAL 28 1HG2 VAL 28 -4.042 7.996 4.822 241 2HG2 VAL 28 2HG2 VAL 28 -2.755 6.948 4.205 242 3HG2 VAL 28 3HG2 VAL 28 -3.563 6.556 5.726 243 H ALA 29 H ALA 29 -5.027 5.423 0.879 244 HA ALA 29 HA ALA 29 -7.149 3.643 0.897 245 1HB ALA 29 1HB ALA 29 -6.404 5.442 -0.821 246 2HB ALA 29 2HB ALA 29 -7.181 3.974 -1.422 247 3HB ALA 29 3HB ALA 29 -5.422 4.146 -1.519 248 H PHE 30 H PHE 30 -3.767 3.305 0.117 249 HA PHE 30 HA PHE 30 -3.931 0.647 -0.763 250 1HB PHE 30 2HB PHE 30 -1.780 2.541 0.030 251 2HB PHE 30 1HB PHE 30 -1.427 0.845 -0.265 252 HD1 PHE 30 1HD PHE 30 -2.479 -0.198 -2.390 253 HD2 PHE 30 2HD PHE 30 -1.857 3.996 -1.787 254 HE1 PHE 30 1HE PHE 30 -2.610 0.181 -4.803 255 HE2 PHE 30 2HE PHE 30 -2.082 4.397 -4.171 256 HZ PHE 30 HZ PHE 30 -2.451 2.477 -5.737 257 H ILE 31 H ILE 31 -3.225 2.304 2.326 258 HA ILE 31 HA ILE 31 -2.362 0.022 3.740 259 HB ILE 31 HB ILE 31 -4.241 2.133 4.859 260 1HG1 ILE 31 2HG1 ILE 31 -1.221 2.093 4.994 261 2HG1 ILE 31 1HG1 ILE 31 -2.137 3.113 3.896 262 1HG2 ILE 31 1HG2 ILE 31 -4.108 0.220 6.319 263 2HG2 ILE 31 2HG2 ILE 31 -3.083 1.475 7.016 264 3HG2 ILE 31 3HG2 ILE 31 -2.354 0.132 6.136 265 1HD1 ILE 31 1HD1 ILE 31 -3.288 3.375 6.508 266 2HD1 ILE 31 2HD1 ILE 31 -2.478 4.611 5.559 267 3HD1 ILE 31 3HD1 ILE 31 -1.547 3.599 6.656 268 H ASN 32 H ASN 32 -5.497 1.331 2.896 269 HA ASN 32 HA ASN 32 -7.107 -0.533 4.302 270 1HB ASN 32 2HB ASN 32 -7.509 1.491 2.143 271 2HB ASN 32 1HB ASN 32 -8.799 0.332 2.466 272 1HD2 ASN 32 1HD2 ASN 32 -7.406 3.289 3.492 273 2HD2 ASN 32 2HD2 ASN 32 -8.242 3.438 4.962 274 H SER 33 H SER 33 -5.890 -0.498 0.947 275 HA SER 33 HA SER 33 -7.395 -2.726 0.110 276 1HB SER 33 2HB SER 33 -4.709 -1.882 -0.950 277 2HB SER 33 1HB SER 33 -5.994 -2.750 -1.787 278 HG SER 33 HG SER 33 -5.831 -0.412 -2.176 279 H LEU 34 H LEU 34 -4.275 -2.404 1.706 280 HA LEU 34 HA LEU 34 -3.278 -5.026 1.375 281 1HB LEU 34 2HB LEU 34 -2.966 -3.694 4.055 282 2HB LEU 34 1HB LEU 34 -1.822 -4.695 3.173 283 HG LEU 34 HG LEU 34 -2.550 -1.828 2.665 284 1HD1 LEU 34 1HD1 LEU 34 -0.054 -3.281 3.463 285 2HD1 LEU 34 2HD1 LEU 34 -0.864 -1.955 4.297 286 3HD1 LEU 34 3HD1 LEU 34 -0.005 -1.657 2.783 287 1HD2 LEU 34 1HD2 LEU 34 -0.760 -2.071 0.821 288 2HD2 LEU 34 2HD2 LEU 34 -2.386 -2.658 0.459 289 3HD2 LEU 34 3HD2 LEU 34 -1.117 -3.794 0.905 290 H ARG 35 H ARG 35 -5.416 -3.719 3.885 291 HA ARG 35 HA ARG 35 -5.714 -6.200 5.275 292 1HB ARG 35 2HB ARG 35 -6.980 -5.000 6.774 293 2HB ARG 35 1HB ARG 35 -6.141 -3.676 5.983 294 1HG ARG 35 2HG ARG 35 -8.222 -3.757 4.350 295 2HG ARG 35 1HG ARG 35 -8.999 -4.512 5.729 296 1HD ARG 35 2HD ARG 35 -8.793 -2.604 7.053 297 2HD ARG 35 1HD ARG 35 -7.430 -1.981 6.126 298 HE ARG 35 HE ARG 35 -8.958 -1.209 4.463 299 1HH1 ARG 35 1HH2 ARG 35 -10.318 -0.045 6.816 300 2HH1 ARG 35 2HH2 ARG 35 -11.953 -0.586 6.633 301 1HH2 ARG 35 1HH1 ARG 35 -11.146 -3.076 4.363 302 2HH2 ARG 35 2HH1 ARG 35 -12.422 -2.302 5.244 303 H ASP 36 H ASP 36 -7.386 -4.585 2.684 304 HA ASP 36 HA ASP 36 -9.677 -6.279 2.590 305 1HB ASP 36 2HB ASP 36 -8.371 -4.500 0.500 306 2HB ASP 36 1HB ASP 36 -9.937 -5.282 0.303 307 H ASP 37 H ASP 37 -6.392 -6.476 1.644 308 HA ASP 37 HA ASP 37 -6.528 -9.226 0.946 309 1HB ASP 37 2HB ASP 37 -7.526 -8.031 -1.107 310 2HB ASP 37 1HB ASP 37 -5.893 -7.463 -1.411 311 HA PRO 38 HA PRO 38 -2.357 -7.768 2.174 312 1HB PRO 38 2HB PRO 38 -1.878 -10.374 3.309 313 2HB PRO 38 1HB PRO 38 -2.108 -8.832 4.148 314 1HG PRO 38 2HG PRO 38 -3.864 -10.977 4.143 315 2HG PRO 38 1HG PRO 38 -4.218 -9.326 4.655 316 1HD PRO 38 2HD PRO 38 -5.012 -10.719 2.170 317 2HD PRO 38 1HD PRO 38 -5.768 -9.329 2.982 318 H SER 39 H SER 39 -3.279 -10.856 0.725 319 HA SER 39 HA SER 39 -0.763 -11.662 -0.249 320 1HB SER 39 2HB SER 39 -3.472 -12.145 -1.525 321 2HB SER 39 1HB SER 39 -2.006 -13.083 -1.786 322 HG SER 39 HG SER 39 -2.799 -12.751 0.849 323 H GLN 40 H GLN 40 -3.122 -9.347 -1.283 324 HA GLN 40 HA GLN 40 -1.674 -8.811 -3.761 325 1HB GLN 40 2HB GLN 40 -4.342 -7.824 -2.747 326 2HB GLN 40 1HB GLN 40 -3.622 -7.331 -4.275 327 1HG GLN 40 2HG GLN 40 -4.143 -10.223 -3.544 328 2HG GLN 40 1HG GLN 40 -5.283 -9.236 -4.455 329 1HE2 GLN 40 1HE2 GLN 40 -2.549 -11.275 -4.752 330 2HE2 GLN 40 2HE2 GLN 40 -2.164 -10.908 -6.364 331 H SER 41 H SER 41 -1.053 -8.005 -0.755 332 HA SER 41 HA SER 41 -1.156 -5.217 -0.529 333 1HB SER 41 2HB SER 41 0.640 -5.412 1.107 334 2HB SER 41 1HB SER 41 -0.404 -6.805 1.314 335 HG SER 41 HG SER 41 1.084 -8.074 0.375 336 H ALA 42 H ALA 42 1.031 -7.377 -2.124 337 HA ALA 42 HA ALA 42 2.949 -5.556 -3.053 338 1HB ALA 42 1HB ALA 42 3.287 -8.005 -2.806 339 2HB ALA 42 2HB ALA 42 3.726 -7.399 -4.404 340 3HB ALA 42 3HB ALA 42 2.193 -8.244 -4.170 341 H ASN 43 H ASN 43 -0.061 -6.852 -4.410 342 HA ASN 43 HA ASN 43 0.270 -5.871 -7.075 343 1HB ASN 43 2HB ASN 43 -1.304 -7.694 -6.216 344 2HB ASN 43 1HB ASN 43 -2.321 -6.375 -5.626 345 1HD2 ASN 43 1HD2 ASN 43 -3.849 -5.690 -7.075 346 2HD2 ASN 43 2HD2 ASN 43 -3.763 -5.860 -8.761 347 H LEU 44 H LEU 44 -1.115 -4.854 -4.124 348 HA LEU 44 HA LEU 44 -2.364 -2.444 -4.989 349 1HB LEU 44 2HB LEU 44 -1.456 -3.504 -2.322 350 2HB LEU 44 1HB LEU 44 -2.411 -2.044 -2.510 351 HG LEU 44 HG LEU 44 -3.245 -4.616 -3.776 352 1HD1 LEU 44 1HD1 LEU 44 -3.603 -3.759 -0.943 353 2HD1 LEU 44 2HD1 LEU 44 -3.361 -5.373 -1.607 354 3HD1 LEU 44 3HD1 LEU 44 -4.930 -4.592 -1.752 355 1HD2 LEU 44 1HD2 LEU 44 -4.526 -2.007 -3.081 356 2HD2 LEU 44 2HD2 LEU 44 -5.445 -3.419 -3.627 357 3HD2 LEU 44 3HD2 LEU 44 -4.229 -2.693 -4.686 358 H LEU 45 H LEU 45 0.637 -3.458 -3.714 359 HA LEU 45 HA LEU 45 1.882 -0.956 -3.352 360 1HB LEU 45 2HB LEU 45 2.461 -3.686 -3.095 361 2HB LEU 45 1HB LEU 45 3.578 -3.144 -4.323 362 HG LEU 45 HG LEU 45 3.230 -1.645 -1.758 363 1HD1 LEU 45 1HD1 LEU 45 5.260 -3.832 -2.238 364 2HD1 LEU 45 2HD1 LEU 45 3.700 -4.166 -1.466 365 3HD1 LEU 45 3HD1 LEU 45 4.845 -3.043 -0.721 366 1HD2 LEU 45 1HD2 LEU 45 5.864 -1.737 -2.915 367 2HD2 LEU 45 2HD2 LEU 45 4.792 -0.347 -2.732 368 3HD2 LEU 45 3HD2 LEU 45 4.698 -1.345 -4.186 369 H ALA 46 H ALA 46 1.482 -3.249 -5.929 370 HA ALA 46 HA ALA 46 3.127 -2.103 -7.907 371 1HB ALA 46 1HB ALA 46 0.625 -3.397 -8.815 372 2HB ALA 46 2HB ALA 46 1.574 -4.378 -7.696 373 3HB ALA 46 3HB ALA 46 2.300 -3.810 -9.203 374 H GLU 47 H GLU 47 -0.270 -1.870 -7.051 375 HA GLU 47 HA GLU 47 -1.117 -0.080 -9.057 376 1HB GLU 47 2HB GLU 47 -2.002 -1.015 -6.372 377 2HB GLU 47 1HB GLU 47 -2.823 0.371 -7.090 378 1HG GLU 47 2HG GLU 47 -3.582 -0.905 -8.930 379 2HG GLU 47 1HG GLU 47 -2.417 -2.192 -8.626 380 H ALA 48 H ALA 48 0.104 0.250 -5.805 381 HA ALA 48 HA ALA 48 -0.166 2.997 -5.442 382 1HB ALA 48 1HB ALA 48 0.797 0.865 -3.992 383 2HB ALA 48 2HB ALA 48 0.803 2.549 -3.481 384 3HB ALA 48 3HB ALA 48 2.224 1.854 -4.263 385 H LYS 49 H LYS 49 2.529 1.085 -6.639 386 HA LYS 49 HA LYS 49 4.255 3.296 -7.150 387 1HB LYS 49 2HB LYS 49 4.197 0.457 -8.210 388 2HB LYS 49 1HB LYS 49 5.462 1.617 -8.623 389 1HG LYS 49 2HG LYS 49 5.997 1.904 -6.232 390 2HG LYS 49 1HG LYS 49 4.728 0.763 -5.801 391 1HD LYS 49 2HD LYS 49 5.904 -1.002 -7.112 392 2HD LYS 49 1HD LYS 49 7.199 0.147 -7.453 393 1HE LYS 49 2HE LYS 49 8.099 -0.071 -5.374 394 2HE LYS 49 1HE LYS 49 6.521 -0.055 -4.588 395 1HZ LYS 49 1HZ LYS 49 6.214 -2.363 -5.338 396 2HZ LYS 49 2HZ LYS 49 7.537 -2.187 -4.287 397 3HZ LYS 49 3HZ LYS 49 7.792 -2.362 -5.959 398 H LYS 50 H LYS 50 1.761 1.581 -8.922 399 HA LYS 50 HA LYS 50 2.186 2.847 -11.447 400 1HB LYS 50 2HB LYS 50 1.044 0.661 -11.076 401 2HB LYS 50 1HB LYS 50 -0.270 1.515 -10.284 402 1HG LYS 50 2HG LYS 50 -0.939 2.585 -12.289 403 2HG LYS 50 1HG LYS 50 0.582 2.193 -13.096 404 1HD LYS 50 2HD LYS 50 -1.240 0.689 -13.849 405 2HD LYS 50 1HD LYS 50 0.037 -0.198 -13.017 406 1HE LYS 50 2HE LYS 50 -1.285 -0.694 -11.195 407 2HE LYS 50 1HE LYS 50 -2.229 0.793 -11.340 408 1HZ LYS 50 1HZ LYS 50 -3.495 -1.209 -11.931 409 2HZ LYS 50 2HZ LYS 50 -2.411 -1.511 -13.204 410 3HZ LYS 50 3HZ LYS 50 -3.379 -0.116 -13.222 411 H LEU 51 H LEU 51 0.312 3.463 -8.554 412 HA LEU 51 HA LEU 51 -1.328 5.584 -9.512 413 1HB LEU 51 2HB LEU 51 -0.626 4.328 -6.935 414 2HB LEU 51 1HB LEU 51 -1.085 6.005 -6.845 415 HG LEU 51 HG LEU 51 -2.988 4.463 -6.521 416 1HD1 LEU 51 1HD1 LEU 51 -4.039 6.327 -7.179 417 2HD1 LEU 51 2HD1 LEU 51 -4.165 5.584 -8.778 418 3HD1 LEU 51 3HD1 LEU 51 -2.821 6.669 -8.410 419 1HD2 LEU 51 1HD2 LEU 51 -2.084 3.502 -9.214 420 2HD2 LEU 51 2HD2 LEU 51 -3.812 3.491 -8.859 421 3HD2 LEU 51 3HD2 LEU 51 -2.693 2.581 -7.836 422 H ASN 52 H ASN 52 1.662 5.378 -7.666 423 HA ASN 52 HA ASN 52 2.075 8.117 -7.252 424 1HB ASN 52 2HB ASN 52 3.459 6.877 -5.918 425 2HB ASN 52 1HB ASN 52 3.618 5.598 -7.108 426 1HD2 ASN 52 1HD2 ASN 52 5.972 5.875 -6.127 427 2HD2 ASN 52 2HD2 ASN 52 7.000 6.921 -6.979 428 H ASP 53 H ASP 53 3.230 5.895 -9.716 429 HA ASP 53 HA ASP 53 4.633 7.805 -11.193 430 1HB ASP 53 2HB ASP 53 4.997 5.344 -11.325 431 2HB ASP 53 1HB ASP 53 3.451 5.198 -12.161 432 H ALA 54 H ALA 54 1.345 6.582 -11.278 433 HA ALA 54 HA ALA 54 0.593 7.744 -13.796 434 1HB ALA 54 1HB ALA 54 -1.712 7.226 -12.977 435 2HB ALA 54 2HB ALA 54 -0.977 6.728 -11.453 436 3HB ALA 54 3HB ALA 54 -0.595 5.860 -12.946 437 H GLN 55 H GLN 55 0.070 8.765 -10.422 438 HA GLN 55 HA GLN 55 -1.585 10.992 -11.223 439 1HB GLN 55 2HB GLN 55 -0.319 10.214 -8.598 440 2HB GLN 55 1HB GLN 55 -1.441 11.559 -8.806 441 1HG GLN 55 2HG GLN 55 -3.200 10.063 -9.528 442 2HG GLN 55 1HG GLN 55 -2.089 8.692 -9.539 443 1HE2 GLN 55 1HE2 GLN 55 -1.268 10.691 -6.940 444 2HE2 GLN 55 2HE2 GLN 55 -2.119 9.847 -5.733 445 H ALA 56 H ALA 56 1.593 10.570 -9.783 446 HA ALA 56 HA ALA 56 3.293 12.124 -9.375 447 1HB ALA 56 1HB ALA 56 4.156 13.112 -11.434 448 2HB ALA 56 2HB ALA 56 2.614 12.826 -12.243 449 3HB ALA 56 3HB ALA 56 3.615 11.462 -11.744 450 HA PRO 57 HA PRO 57 -0.290 15.167 -8.474 451 1HB PRO 57 2HB PRO 57 1.196 15.771 -6.064 452 2HB PRO 57 1HB PRO 57 -0.375 14.964 -6.230 453 1HG PRO 57 2HG PRO 57 2.307 13.811 -5.927 454 2HG PRO 57 1HG PRO 57 0.724 13.123 -5.531 455 1HD PRO 57 2HD PRO 57 2.140 12.222 -7.630 456 2HD PRO 57 1HD PRO 57 0.373 12.337 -7.711 457 H LYS 58 H LYS 58 0.146 16.692 -9.979 458 HA LYS 58 HA LYS 58 2.554 18.346 -9.849 459 1HB LYS 58 2HB LYS 58 0.269 18.058 -11.790 460 2HB LYS 58 1HB LYS 58 1.346 19.452 -11.874 461 1HG LYS 58 2HG LYS 58 3.189 18.180 -12.475 462 2HG LYS 58 1HG LYS 58 2.583 16.727 -11.691 463 1HD LYS 58 2HD LYS 58 0.939 17.737 -13.953 464 2HD LYS 58 1HD LYS 58 2.528 17.114 -14.387 465 1HE LYS 58 2HE LYS 58 0.764 15.347 -14.433 466 2HE LYS 58 1HE LYS 58 2.049 14.989 -13.281 467 1HZ LYS 58 1HZ LYS 58 -0.539 16.269 -12.583 468 2HZ LYS 58 2HZ LYS 58 0.681 15.798 -11.499 469 3HZ LYS 58 3HZ LYS 58 -0.189 14.624 -12.367 Start of MODEL 26 1 1H VAL 1 1HT VAL 1 -1.905 -20.747 12.535 2 2H VAL 1 2HT VAL 1 -3.148 -21.886 12.741 3 3H VAL 1 3HT VAL 1 -2.196 -21.413 14.067 4 HA VAL 1 HA VAL 1 -4.244 -19.843 12.624 5 HB VAL 1 HB VAL 1 -3.818 -20.454 15.574 6 1HG1 VAL 1 1HG1 VAL 1 -6.180 -19.611 15.746 7 2HG1 VAL 1 2HG1 VAL 1 -6.084 -19.119 14.055 8 3HG1 VAL 1 3HG1 VAL 1 -5.031 -18.367 15.253 9 1HG2 VAL 1 1HG2 VAL 1 -4.418 -22.503 14.418 10 2HG2 VAL 1 2HG2 VAL 1 -5.686 -21.677 13.513 11 3HG2 VAL 1 3HG2 VAL 1 -5.855 -21.911 15.253 12 H ASP 2 H ASP 2 -3.141 -18.090 11.871 13 HA ASP 2 HA ASP 2 -2.209 -16.143 13.789 14 1HB ASP 2 2HB ASP 2 0.061 -15.931 12.846 15 2HB ASP 2 1HB ASP 2 -0.184 -17.518 13.572 16 H ASN 3 H ASN 3 -1.510 -14.116 12.676 17 HA ASN 3 HA ASN 3 -2.891 -13.791 10.074 18 1HB ASN 3 2HB ASN 3 -3.065 -11.334 10.875 19 2HB ASN 3 1HB ASN 3 -4.198 -12.516 11.525 20 1HD2 ASN 3 1HD2 ASN 3 -3.651 -13.409 13.742 21 2HD2 ASN 3 2HD2 ASN 3 -2.757 -12.442 14.813 22 H LYS 4 H LYS 4 -1.295 -13.789 8.605 23 HA LYS 4 HA LYS 4 1.238 -12.522 9.151 24 1HB LYS 4 2HB LYS 4 0.230 -13.715 6.566 25 2HB LYS 4 1HB LYS 4 1.910 -13.360 6.976 26 1HG LYS 4 2HG LYS 4 1.781 -14.962 8.863 27 2HG LYS 4 1HG LYS 4 0.123 -15.348 8.404 28 1HD LYS 4 2HD LYS 4 0.975 -16.057 6.150 29 2HD LYS 4 1HD LYS 4 2.618 -15.820 6.752 30 1HE LYS 4 2HE LYS 4 2.185 -18.127 7.114 31 2HE LYS 4 1HE LYS 4 1.945 -17.372 8.689 32 1HZ LYS 4 1HZ LYS 4 -0.279 -17.672 8.611 33 2HZ LYS 4 2HZ LYS 4 0.171 -18.988 7.634 34 3HZ LYS 4 3HZ LYS 4 -0.367 -17.543 6.921 35 H PHE 5 H PHE 5 -1.606 -11.259 8.557 36 HA PHE 5 HA PHE 5 -1.513 -9.602 6.346 37 1HB PHE 5 2HB PHE 5 -2.688 -9.316 9.092 38 2HB PHE 5 1HB PHE 5 -2.763 -7.989 7.943 39 HD1 PHE 5 1HD PHE 5 -3.045 -11.701 7.395 40 HD2 PHE 5 2HD PHE 5 -4.973 -7.849 7.250 41 HE1 PHE 5 1HE PHE 5 -5.053 -12.720 6.327 42 HE2 PHE 5 2HE PHE 5 -6.958 -8.870 6.188 43 HZ PHE 5 HZ PHE 5 -6.998 -11.291 5.722 44 H ASN 6 H ASN 6 -0.602 -8.738 9.673 45 HA ASN 6 HA ASN 6 0.291 -6.173 9.142 46 1HB ASN 6 2HB ASN 6 1.650 -6.463 11.249 47 2HB ASN 6 1HB ASN 6 -0.081 -6.745 11.382 48 1HD2 ASN 6 1HD2 ASN 6 -0.813 -8.982 11.667 49 2HD2 ASN 6 2HD2 ASN 6 0.271 -10.209 12.112 50 H LYS 7 H LYS 7 2.243 -9.160 9.287 51 HA LYS 7 HA LYS 7 4.716 -7.947 8.871 52 1HB LYS 7 2HB LYS 7 4.451 -10.262 9.599 53 2HB LYS 7 1HB LYS 7 3.803 -10.697 8.021 54 1HG LYS 7 2HG LYS 7 6.127 -11.314 8.004 55 2HG LYS 7 1HG LYS 7 5.991 -9.868 7.012 56 1HD LYS 7 2HD LYS 7 6.479 -9.338 9.887 57 2HD LYS 7 1HD LYS 7 7.791 -10.181 9.066 58 1HE LYS 7 2HE LYS 7 7.621 -8.391 7.244 59 2HE LYS 7 1HE LYS 7 6.585 -7.498 8.356 60 1HZ LYS 7 1HZ LYS 7 8.833 -6.772 8.624 61 2HZ LYS 7 2HZ LYS 7 9.381 -8.365 8.844 62 3HZ LYS 7 3HZ LYS 7 8.383 -7.638 10.012 63 H GLU 8 H GLU 8 2.271 -9.079 6.587 64 HA GLU 8 HA GLU 8 3.856 -8.501 4.247 65 1HB GLU 8 2HB GLU 8 2.029 -10.187 4.311 66 2HB GLU 8 1HB GLU 8 0.862 -8.895 4.578 67 1HG GLU 8 2HG GLU 8 1.008 -9.599 2.188 68 2HG GLU 8 1HG GLU 8 1.379 -7.901 2.443 69 H ARG 9 H ARG 9 1.435 -6.868 6.165 70 HA ARG 9 HA ARG 9 1.028 -4.643 4.500 71 1HB ARG 9 2HB ARG 9 0.431 -5.235 7.380 72 2HB ARG 9 1HB ARG 9 0.116 -3.645 6.689 73 1HG ARG 9 2HG ARG 9 -1.404 -4.522 5.099 74 2HG ARG 9 1HG ARG 9 -0.902 -6.180 5.386 75 1HD ARG 9 2HD ARG 9 -3.042 -5.797 6.466 76 2HD ARG 9 1HD ARG 9 -1.806 -5.997 7.706 77 HE ARG 9 HE ARG 9 -1.790 -3.499 7.869 78 1HH1 ARG 9 1HH1 ARG 9 -4.270 -4.381 9.161 79 2HH1 ARG 9 2HH1 ARG 9 -5.498 -3.467 8.352 80 1HH2 ARG 9 1HH2 ARG 9 -3.475 -2.641 5.665 81 2HH2 ARG 9 2HH2 ARG 9 -5.048 -2.484 6.370 82 H VAL 10 H VAL 10 3.358 -5.334 7.044 83 HA VAL 10 HA VAL 10 4.209 -2.697 7.557 84 HB VAL 10 HB VAL 10 6.039 -5.111 7.554 85 1HG1 VAL 10 1HG1 VAL 10 7.459 -3.840 8.943 86 2HG1 VAL 10 2HG1 VAL 10 6.180 -2.706 9.375 87 3HG1 VAL 10 3HG1 VAL 10 6.894 -2.654 7.759 88 1HG2 VAL 10 1HG2 VAL 10 3.793 -4.496 9.333 89 2HG2 VAL 10 2HG2 VAL 10 5.321 -4.673 10.194 90 3HG2 VAL 10 3HG2 VAL 10 4.737 -5.980 9.164 91 H ILE 11 H ILE 11 5.313 -5.204 5.456 92 HA ILE 11 HA ILE 11 7.412 -3.881 4.195 93 HB ILE 11 HB ILE 11 5.564 -6.068 3.215 94 1HG1 ILE 11 2HG1 ILE 11 8.288 -6.362 4.517 95 2HG1 ILE 11 1HG1 ILE 11 6.783 -6.427 5.444 96 1HG2 ILE 11 1HG2 ILE 11 8.391 -5.444 2.336 97 2HG2 ILE 11 2HG2 ILE 11 6.948 -4.955 1.441 98 3HG2 ILE 11 3HG2 ILE 11 7.306 -6.674 1.680 99 1HD1 ILE 11 1HD1 ILE 11 7.168 -8.159 2.997 100 2HD1 ILE 11 2HD1 ILE 11 6.057 -8.390 4.353 101 3HD1 ILE 11 3HD1 ILE 11 7.787 -8.667 4.572 102 H ALA 12 H ALA 12 4.068 -4.404 3.283 103 HA ALA 12 HA ALA 12 4.112 -2.941 0.860 104 1HB ALA 12 1HB ALA 12 2.086 -4.148 2.671 105 2HB ALA 12 2HB ALA 12 2.500 -4.533 0.986 106 3HB ALA 12 3HB ALA 12 1.563 -3.083 1.349 107 H ILE 13 H ILE 13 2.797 -2.106 4.097 108 HA ILE 13 HA ILE 13 1.796 0.416 3.351 109 HB ILE 13 HB ILE 13 1.286 -0.843 5.511 110 1HG1 ILE 13 2HG1 ILE 13 1.838 2.029 5.143 111 2HG1 ILE 13 1HG1 ILE 13 0.378 1.236 5.706 112 1HG2 ILE 13 1HG2 ILE 13 3.805 0.440 6.597 113 2HG2 ILE 13 2HG2 ILE 13 3.833 -1.185 5.944 114 3HG2 ILE 13 3HG2 ILE 13 2.810 -0.822 7.321 115 1HD1 ILE 13 1HD1 ILE 13 2.860 1.893 7.297 116 2HD1 ILE 13 2HD1 ILE 13 1.578 0.837 7.900 117 3HD1 ILE 13 3HD1 ILE 13 1.230 2.530 7.540 118 H GLY 14 H GLY 14 4.874 -0.772 4.453 119 1HA GLY 14 2HA GLY 14 6.169 1.686 4.810 120 2HA GLY 14 1HA GLY 14 6.958 0.115 4.574 121 H GLU 15 H GLU 15 5.697 -0.539 2.048 122 HA GLU 15 HA GLU 15 7.440 0.845 0.264 123 1HB GLU 15 2HB GLU 15 5.066 -0.979 -0.204 124 2HB GLU 15 1HB GLU 15 6.112 -0.380 -1.486 125 1HG GLU 15 2HG GLU 15 7.707 -1.538 0.637 126 2HG GLU 15 1HG GLU 15 6.473 -2.687 0.102 127 H ILE 16 H ILE 16 3.964 0.828 0.838 128 HA ILE 16 HA ILE 16 3.335 2.729 -1.135 129 HB ILE 16 HB ILE 16 1.840 1.369 1.058 130 1HG1 ILE 16 2HG1 ILE 16 1.442 1.503 -1.921 131 2HG1 ILE 16 1HG1 ILE 16 2.599 0.419 -1.185 132 1HG2 ILE 16 1HG2 ILE 16 -0.054 2.626 0.878 133 2HG2 ILE 16 2HG2 ILE 16 0.212 2.981 -0.840 134 3HG2 ILE 16 3HG2 ILE 16 1.043 3.919 0.400 135 1HD1 ILE 16 1HD1 ILE 16 0.147 0.069 0.198 136 2HD1 ILE 16 2HD1 ILE 16 0.968 -1.070 -0.892 137 3HD1 ILE 16 3HD1 ILE 16 -0.219 0.081 -1.539 138 H MET 17 H MET 17 3.816 3.038 2.333 139 HA MET 17 HA MET 17 2.995 5.741 2.536 140 1HB MET 17 2HB MET 17 4.784 3.993 4.244 141 2HB MET 17 1HB MET 17 4.403 5.669 4.671 142 1HG MET 17 2HG MET 17 2.286 3.582 4.086 143 2HG MET 17 1HG MET 17 2.868 3.926 5.711 144 1HE MET 17 1HE MET 17 -0.839 5.360 4.882 145 2HE MET 17 2HE MET 17 0.044 3.971 5.516 146 3HE MET 17 3HE MET 17 -0.036 4.229 3.779 147 H ARG 18 H ARG 18 5.862 4.253 1.301 148 HA ARG 18 HA ARG 18 7.652 6.478 1.585 149 1HB ARG 18 2HB ARG 18 8.468 4.181 1.321 150 2HB ARG 18 1HB ARG 18 7.705 4.076 -0.262 151 1HG ARG 18 2HG ARG 18 9.139 5.947 -1.059 152 2HG ARG 18 1HG ARG 18 9.941 5.975 0.516 153 1HD ARG 18 2HD ARG 18 10.576 3.581 0.176 154 2HD ARG 18 1HD ARG 18 9.871 3.658 -1.437 155 HE ARG 18 HE ARG 18 11.625 5.716 -1.490 156 1HH1 ARG 18 1HH1 ARG 18 13.195 4.386 0.690 157 2HH1 ARG 18 2HH1 ARG 18 14.298 3.391 -0.199 158 1HH2 ARG 18 1HH2 ARG 18 12.496 3.575 -3.151 159 2HH2 ARG 18 2HH2 ARG 18 13.903 2.932 -2.373 160 H LEU 19 H LEU 19 5.424 5.320 -0.854 161 HA LEU 19 HA LEU 19 6.071 6.615 -3.133 162 1HB LEU 19 2HB LEU 19 3.285 6.410 -2.024 163 2HB LEU 19 1HB LEU 19 3.737 6.517 -3.728 164 HG LEU 19 HG LEU 19 4.531 4.284 -1.836 165 1HD1 LEU 19 1HD1 LEU 19 2.155 4.201 -2.447 166 2HD1 LEU 19 2HD1 LEU 19 3.065 2.884 -3.176 167 3HD1 LEU 19 3HD1 LEU 19 2.597 4.280 -4.155 168 1HD2 LEU 19 1HD2 LEU 19 5.211 4.921 -4.691 169 2HD2 LEU 19 2HD2 LEU 19 5.184 3.246 -4.126 170 3HD2 LEU 19 3HD2 LEU 19 6.276 4.410 -3.369 171 HA PRO 20 HA PRO 20 5.814 10.924 -1.736 172 1HB PRO 20 2HB PRO 20 7.336 11.677 -4.063 173 2HB PRO 20 1HB PRO 20 7.882 11.590 -2.383 174 1HG PRO 20 2HG PRO 20 8.706 9.935 -4.444 175 2HG PRO 20 1HG PRO 20 8.899 9.613 -2.713 176 1HD PRO 20 2HD PRO 20 6.916 8.492 -4.634 177 2HD PRO 20 1HD PRO 20 7.633 7.764 -3.180 178 H ASN 21 H ASN 21 4.511 9.379 -4.471 179 HA ASN 21 HA ASN 21 3.338 11.913 -5.463 180 1HB ASN 21 2HB ASN 21 4.091 9.374 -6.822 181 2HB ASN 21 1HB ASN 21 2.882 10.420 -7.541 182 1HD2 ASN 21 1HD2 ASN 21 5.958 9.781 -8.054 183 2HD2 ASN 21 2HD2 ASN 21 6.595 11.329 -8.334 184 H LEU 22 H LEU 22 2.304 10.420 -3.218 185 HA LEU 22 HA LEU 22 -0.408 9.941 -4.264 186 1HB LEU 22 2HB LEU 22 1.094 8.249 -2.261 187 2HB LEU 22 1HB LEU 22 -0.665 8.189 -2.453 188 HG LEU 22 HG LEU 22 1.226 7.797 -4.781 189 1HD1 LEU 22 1HD1 LEU 22 -0.085 5.665 -3.077 190 2HD1 LEU 22 2HD1 LEU 22 1.611 6.118 -2.971 191 3HD1 LEU 22 3HD1 LEU 22 0.983 5.417 -4.457 192 1HD2 LEU 22 1HD2 LEU 22 -1.614 8.037 -4.440 193 2HD2 LEU 22 2HD2 LEU 22 -1.238 6.376 -4.913 194 3HD2 LEU 22 3HD2 LEU 22 -0.703 7.727 -5.927 195 H ASN 23 H ASN 23 -2.061 10.634 -2.991 196 HA ASN 23 HA ASN 23 -1.336 12.554 -0.903 197 1HB ASN 23 2HB ASN 23 -3.939 12.715 -0.790 198 2HB ASN 23 1HB ASN 23 -3.120 13.381 -2.199 199 1HD2 ASN 23 1HD2 ASN 23 -3.277 12.185 -4.237 200 2HD2 ASN 23 2HD2 ASN 23 -4.452 10.977 -4.450 201 H SER 24 H SER 24 -2.260 12.302 1.272 202 HA SER 24 HA SER 24 -1.618 9.878 2.397 203 1HB SER 24 2HB SER 24 -2.957 10.530 4.344 204 2HB SER 24 1HB SER 24 -1.902 11.823 3.767 205 HG SER 24 HG SER 24 -4.679 11.499 3.240 206 H LEU 25 H LEU 25 -4.723 10.865 1.060 207 HA LEU 25 HA LEU 25 -6.254 8.718 2.068 208 1HB LEU 25 2HB LEU 25 -6.616 10.123 -0.575 209 2HB LEU 25 1HB LEU 25 -7.831 9.250 0.344 210 HG LEU 25 HG LEU 25 -7.292 10.969 2.239 211 1HD1 LEU 25 1HD1 LEU 25 -5.840 12.077 -0.103 212 2HD1 LEU 25 2HD1 LEU 25 -5.599 12.384 1.616 213 3HD1 LEU 25 3HD1 LEU 25 -6.881 13.220 0.743 214 1HD2 LEU 25 1HD2 LEU 25 -9.439 11.034 1.323 215 2HD2 LEU 25 2HD2 LEU 25 -8.827 11.342 -0.305 216 3HD2 LEU 25 3HD2 LEU 25 -8.828 12.635 0.898 217 H GLN 26 H GLN 26 -4.532 9.127 -1.028 218 HA GLN 26 HA GLN 26 -5.174 6.574 -2.018 219 1HB GLN 26 2HB GLN 26 -2.994 8.509 -2.585 220 2HB GLN 26 1HB GLN 26 -3.050 6.952 -3.376 221 1HG GLN 26 2HG GLN 26 -5.418 8.823 -3.311 222 2HG GLN 26 1HG GLN 26 -4.206 8.902 -4.595 223 1HE2 GLN 26 1HE2 GLN 26 -3.693 6.378 -5.360 224 2HE2 GLN 26 2HE2 GLN 26 -5.103 5.528 -5.770 225 H VAL 27 H VAL 27 -2.494 7.898 -0.246 226 HA VAL 27 HA VAL 27 -0.827 5.672 -0.095 227 HB VAL 27 HB VAL 27 -1.357 8.075 1.648 228 1HG1 VAL 27 1HG1 VAL 27 -0.485 6.940 3.374 229 2HG1 VAL 27 2HG1 VAL 27 1.046 7.256 2.553 230 3HG1 VAL 27 3HG1 VAL 27 0.239 5.700 2.337 231 1HG2 VAL 27 1HG2 VAL 27 0.765 7.231 -0.312 232 2HG2 VAL 27 2HG2 VAL 27 1.108 8.465 0.899 233 3HG2 VAL 27 3HG2 VAL 27 -0.181 8.719 -0.278 234 H VAL 28 H VAL 28 -3.464 6.827 1.876 235 HA VAL 28 HA VAL 28 -3.415 4.642 3.715 236 HB VAL 28 HB VAL 28 -5.507 6.756 3.322 237 1HG1 VAL 28 1HG1 VAL 28 -4.976 4.735 5.540 238 2HG1 VAL 28 2HG1 VAL 28 -6.364 4.695 4.440 239 3HG1 VAL 28 3HG1 VAL 28 -6.199 6.010 5.608 240 1HG2 VAL 28 1HG2 VAL 28 -3.731 6.665 5.686 241 2HG2 VAL 28 2HG2 VAL 28 -4.194 8.046 4.686 242 3HG2 VAL 28 3HG2 VAL 28 -2.889 6.967 4.164 243 H ALA 29 H ALA 29 -5.092 5.406 0.830 244 HA ALA 29 HA ALA 29 -7.213 3.626 0.813 245 1HB ALA 29 1HB ALA 29 -6.491 5.399 -0.923 246 2HB ALA 29 2HB ALA 29 -7.165 3.887 -1.533 247 3HB ALA 29 3HB ALA 29 -5.417 4.146 -1.556 248 H PHE 30 H PHE 30 -3.817 3.289 0.094 249 HA PHE 30 HA PHE 30 -3.981 0.617 -0.749 250 1HB PHE 30 2HB PHE 30 -1.796 2.486 0.051 251 2HB PHE 30 1HB PHE 30 -1.494 0.785 -0.274 252 HD1 PHE 30 1HD PHE 30 -2.699 -0.181 -2.402 253 HD2 PHE 30 2HD PHE 30 -1.744 3.944 -1.762 254 HE1 PHE 30 1HE PHE 30 -2.881 0.240 -4.803 255 HE2 PHE 30 2HE PHE 30 -1.989 4.381 -4.139 256 HZ PHE 30 HZ PHE 30 -2.556 2.521 -5.713 257 H ILE 31 H ILE 31 -3.288 2.309 2.324 258 HA ILE 31 HA ILE 31 -2.460 0.024 3.761 259 HB ILE 31 HB ILE 31 -4.311 2.175 4.855 260 1HG1 ILE 31 2HG1 ILE 31 -1.289 2.089 4.997 261 2HG1 ILE 31 1HG1 ILE 31 -2.187 3.109 3.880 262 1HG2 ILE 31 1HG2 ILE 31 -2.455 0.153 6.147 263 2HG2 ILE 31 2HG2 ILE 31 -4.205 0.278 6.338 264 3HG2 ILE 31 3HG2 ILE 31 -3.153 1.518 7.017 265 1HD1 ILE 31 1HD1 ILE 31 -2.531 4.632 5.514 266 2HD1 ILE 31 2HD1 ILE 31 -1.583 3.640 6.619 267 3HD1 ILE 31 3HD1 ILE 31 -3.326 3.412 6.499 268 H ASN 32 H ASN 32 -5.577 1.356 2.880 269 HA ASN 32 HA ASN 32 -7.221 -0.495 4.277 270 1HB ASN 32 2HB ASN 32 -7.583 1.517 2.095 271 2HB ASN 32 1HB ASN 32 -8.894 0.392 2.443 272 1HD2 ASN 32 1HD2 ASN 32 -7.576 3.382 3.331 273 2HD2 ASN 32 2HD2 ASN 32 -8.346 3.558 4.834 274 H SER 33 H SER 33 -5.934 -0.492 0.965 275 HA SER 33 HA SER 33 -7.476 -2.698 0.104 276 1HB SER 33 2HB SER 33 -4.783 -1.851 -0.943 277 2HB SER 33 1HB SER 33 -6.052 -2.735 -1.788 278 HG SER 33 HG SER 33 -6.250 -0.091 -0.772 279 H LEU 34 H LEU 34 -4.359 -2.388 1.713 280 HA LEU 34 HA LEU 34 -3.367 -5.006 1.372 281 1HB LEU 34 2HB LEU 34 -3.038 -3.702 4.059 282 2HB LEU 34 1HB LEU 34 -1.903 -4.697 3.160 283 HG LEU 34 HG LEU 34 -2.624 -1.822 2.695 284 1HD1 LEU 34 1HD1 LEU 34 -0.901 -1.997 4.292 285 2HD1 LEU 34 2HD1 LEU 34 -0.081 -1.661 2.764 286 3HD1 LEU 34 3HD1 LEU 34 -0.114 -3.302 3.402 287 1HD2 LEU 34 1HD2 LEU 34 -0.909 -2.021 0.798 288 2HD2 LEU 34 2HD2 LEU 34 -2.521 -2.669 0.473 289 3HD2 LEU 34 3HD2 LEU 34 -1.196 -3.756 0.886 290 H ARG 35 H ARG 35 -5.504 -3.750 3.934 291 HA ARG 35 HA ARG 35 -5.753 -6.303 5.219 292 1HB ARG 35 2HB ARG 35 -7.615 -5.236 6.484 293 2HB ARG 35 1HB ARG 35 -6.108 -4.344 6.527 294 1HG ARG 35 2HG ARG 35 -6.927 -2.853 4.741 295 2HG ARG 35 1HG ARG 35 -8.462 -3.722 4.736 296 1HD ARG 35 2HD ARG 35 -8.722 -3.122 7.164 297 2HD ARG 35 1HD ARG 35 -7.268 -2.137 7.029 298 HE ARG 35 HE ARG 35 -8.619 -0.504 6.118 299 1HH1 ARG 35 1HH2 ARG 35 -11.062 -2.271 6.898 300 2HH1 ARG 35 2HH2 ARG 35 -11.945 -2.251 5.408 301 1HH2 ARG 35 1HH1 ARG 35 -9.283 -1.066 3.546 302 2HH2 ARG 35 2HH1 ARG 35 -10.937 -1.571 3.513 303 H ASP 36 H ASP 36 -7.499 -4.570 2.761 304 HA ASP 36 HA ASP 36 -9.770 -6.283 2.630 305 1HB ASP 36 2HB ASP 36 -8.491 -4.421 0.597 306 2HB ASP 36 1HB ASP 36 -10.024 -5.250 0.342 307 H ASP 37 H ASP 37 -6.485 -6.472 1.713 308 HA ASP 37 HA ASP 37 -6.645 -9.196 0.903 309 1HB ASP 37 2HB ASP 37 -7.596 -7.883 -1.112 310 2HB ASP 37 1HB ASP 37 -5.940 -7.370 -1.384 311 HA PRO 38 HA PRO 38 -2.461 -7.839 2.237 312 1HB PRO 38 2HB PRO 38 -2.056 -10.476 3.334 313 2HB PRO 38 1HB PRO 38 -2.265 -8.943 4.193 314 1HG PRO 38 2HG PRO 38 -4.070 -11.044 4.136 315 2HG PRO 38 1HG PRO 38 -4.396 -9.390 4.657 316 1HD PRO 38 2HD PRO 38 -5.170 -10.740 2.138 317 2HD PRO 38 1HD PRO 38 -5.920 -9.352 2.959 318 H SER 39 H SER 39 -3.455 -10.831 0.662 319 HA SER 39 HA SER 39 -0.928 -11.687 -0.275 320 1HB SER 39 2HB SER 39 -3.011 -13.091 -0.267 321 2HB SER 39 1HB SER 39 -3.629 -12.108 -1.591 322 HG SER 39 HG SER 39 -1.718 -12.716 -2.758 323 H GLN 40 H GLN 40 -3.245 -9.321 -1.310 324 HA GLN 40 HA GLN 40 -1.767 -8.799 -3.776 325 1HB GLN 40 2HB GLN 40 -4.429 -7.775 -2.782 326 2HB GLN 40 1HB GLN 40 -3.682 -7.270 -4.293 327 1HG GLN 40 2HG GLN 40 -4.079 -10.200 -3.719 328 2HG GLN 40 1HG GLN 40 -5.416 -9.231 -4.330 329 1HE2 GLN 40 1HE2 GLN 40 -5.513 -9.016 -6.571 330 2HE2 GLN 40 2HE2 GLN 40 -4.219 -9.310 -7.628 331 H SER 41 H SER 41 -1.160 -8.001 -0.761 332 HA SER 41 HA SER 41 -1.215 -5.201 -0.546 333 1HB SER 41 2HB SER 41 0.519 -5.437 1.124 334 2HB SER 41 1HB SER 41 -0.490 -6.866 1.275 335 HG SER 41 HG SER 41 2.040 -6.882 0.944 336 H ALA 42 H ALA 42 1.060 -7.421 -2.001 337 HA ALA 42 HA ALA 42 2.984 -5.625 -2.883 338 1HB ALA 42 1HB ALA 42 3.684 -7.439 -4.365 339 2HB ALA 42 2HB ALA 42 2.158 -8.269 -4.055 340 3HB ALA 42 3HB ALA 42 3.326 -8.051 -2.750 341 H ASN 43 H ASN 43 -0.003 -6.791 -4.353 342 HA ASN 43 HA ASN 43 0.398 -5.653 -6.944 343 1HB ASN 43 2HB ASN 43 -1.213 -7.505 -6.169 344 2HB ASN 43 1HB ASN 43 -2.234 -6.184 -5.610 345 1HD2 ASN 43 1HD2 ASN 43 -3.215 -7.864 -7.616 346 2HD2 ASN 43 2HD2 ASN 43 -3.268 -7.029 -9.092 347 H LEU 44 H LEU 44 -1.039 -4.761 -3.957 348 HA LEU 44 HA LEU 44 -2.331 -2.375 -4.812 349 1HB LEU 44 2HB LEU 44 -1.560 -3.524 -2.153 350 2HB LEU 44 1HB LEU 44 -2.502 -2.052 -2.318 351 HG LEU 44 HG LEU 44 -3.255 -4.570 -3.755 352 1HD1 LEU 44 1HD1 LEU 44 -3.521 -5.402 -1.627 353 2HD1 LEU 44 2HD1 LEU 44 -5.073 -4.605 -1.845 354 3HD1 LEU 44 3HD1 LEU 44 -3.797 -3.812 -0.923 355 1HD2 LEU 44 1HD2 LEU 44 -4.554 -1.962 -3.077 356 2HD2 LEU 44 2HD2 LEU 44 -5.471 -3.353 -3.678 357 3HD2 LEU 44 3HD2 LEU 44 -4.196 -2.636 -4.678 358 H LEU 45 H LEU 45 0.602 -3.136 -3.142 359 HA LEU 45 HA LEU 45 1.510 -0.442 -2.981 360 1HB LEU 45 2HB LEU 45 3.059 -1.381 -1.642 361 2HB LEU 45 1HB LEU 45 2.193 -2.873 -1.866 362 HG LEU 45 HG LEU 45 3.614 -3.213 -3.938 363 1HD1 LEU 45 1HD1 LEU 45 4.438 -0.608 -3.068 364 2HD1 LEU 45 2HD1 LEU 45 4.981 -1.512 -4.492 365 3HD1 LEU 45 3HD1 LEU 45 5.828 -1.703 -2.961 366 1HD2 LEU 45 1HD2 LEU 45 4.981 -3.117 -1.234 367 2HD2 LEU 45 2HD2 LEU 45 5.380 -4.201 -2.569 368 3HD2 LEU 45 3HD2 LEU 45 3.839 -4.376 -1.716 369 H ALA 46 H ALA 46 1.620 -3.030 -5.250 370 HA ALA 46 HA ALA 46 3.499 -1.888 -7.103 371 1HB ALA 46 1HB ALA 46 1.223 -3.844 -7.500 372 2HB ALA 46 2HB ALA 46 2.924 -4.253 -7.280 373 3HB ALA 46 3HB ALA 46 2.397 -3.428 -8.742 374 H GLU 47 H GLU 47 -0.013 -1.894 -6.712 375 HA GLU 47 HA GLU 47 -0.770 -0.353 -8.937 376 1HB GLU 47 2HB GLU 47 -1.846 -1.204 -6.311 377 2HB GLU 47 1HB GLU 47 -2.603 0.223 -7.014 378 1HG GLU 47 2HG GLU 47 -3.378 -0.960 -8.873 379 2HG GLU 47 1HG GLU 47 -2.199 -2.254 -8.669 380 H ALA 48 H ALA 48 0.106 0.324 -5.654 381 HA ALA 48 HA ALA 48 -0.310 3.071 -5.566 382 1HB ALA 48 1HB ALA 48 0.200 1.368 -3.705 383 2HB ALA 48 2HB ALA 48 0.814 3.008 -3.549 384 3HB ALA 48 3HB ALA 48 1.881 1.709 -4.084 385 H LYS 49 H LYS 49 2.535 1.164 -6.448 386 HA LYS 49 HA LYS 49 4.240 3.400 -6.925 387 1HB LYS 49 2HB LYS 49 4.308 0.536 -7.910 388 2HB LYS 49 1HB LYS 49 5.533 1.726 -8.355 389 1HG LYS 49 2HG LYS 49 6.003 2.126 -5.952 390 2HG LYS 49 1HG LYS 49 4.815 0.901 -5.522 391 1HD LYS 49 2HD LYS 49 6.135 -0.783 -6.812 392 2HD LYS 49 1HD LYS 49 7.353 0.453 -7.123 393 1HE LYS 49 2HE LYS 49 6.630 0.220 -4.278 394 2HE LYS 49 1HE LYS 49 7.342 -1.250 -4.944 395 1HZ LYS 49 1HZ LYS 49 9.200 0.044 -5.753 396 2HZ LYS 49 2HZ LYS 49 9.021 0.261 -4.076 397 3HZ LYS 49 3HZ LYS 49 8.509 1.472 -5.153 398 H LYS 50 H LYS 50 1.855 1.602 -8.768 399 HA LYS 50 HA LYS 50 2.365 2.864 -11.299 400 1HB LYS 50 2HB LYS 50 0.004 1.316 -10.185 401 2HB LYS 50 1HB LYS 50 0.039 1.966 -11.825 402 1HG LYS 50 2HG LYS 50 2.062 0.656 -12.310 403 2HG LYS 50 1HG LYS 50 2.074 0.039 -10.662 404 1HD LYS 50 2HD LYS 50 -0.377 -0.735 -11.216 405 2HD LYS 50 1HD LYS 50 0.146 -0.564 -12.891 406 1HE LYS 50 2HE LYS 50 0.939 -2.680 -12.671 407 2HE LYS 50 1HE LYS 50 2.254 -1.947 -11.752 408 1HZ LYS 50 1HZ LYS 50 0.856 -2.203 -9.743 409 2HZ LYS 50 2HZ LYS 50 1.289 -3.684 -10.454 410 3HZ LYS 50 3HZ LYS 50 -0.277 -3.060 -10.668 411 H LEU 51 H LEU 51 0.394 3.479 -8.483 412 HA LEU 51 HA LEU 51 -1.233 5.578 -9.502 413 1HB LEU 51 2HB LEU 51 -0.578 4.402 -6.878 414 2HB LEU 51 1HB LEU 51 -1.083 6.065 -6.857 415 HG LEU 51 HG LEU 51 -2.937 4.454 -6.533 416 1HD1 LEU 51 1HD1 LEU 51 -4.477 5.629 -7.979 417 2HD1 LEU 51 2HD1 LEU 51 -3.163 6.112 -9.050 418 3HD1 LEU 51 3HD1 LEU 51 -3.243 6.758 -7.404 419 1HD2 LEU 51 1HD2 LEU 51 -2.548 2.578 -7.844 420 2HD2 LEU 51 2HD2 LEU 51 -1.974 3.522 -9.219 421 3HD2 LEU 51 3HD2 LEU 51 -3.700 3.443 -8.866 422 H ASN 52 H ASN 52 1.754 5.404 -7.649 423 HA ASN 52 HA ASN 52 2.142 8.134 -7.211 424 1HB ASN 52 2HB ASN 52 3.612 6.944 -5.943 425 2HB ASN 52 1HB ASN 52 3.696 5.636 -7.108 426 1HD2 ASN 52 1HD2 ASN 52 6.095 5.803 -6.358 427 2HD2 ASN 52 2HD2 ASN 52 7.098 6.858 -7.231 428 H ASP 53 H ASP 53 3.253 5.979 -9.756 429 HA ASP 53 HA ASP 53 4.553 7.955 -11.250 430 1HB ASP 53 2HB ASP 53 4.986 5.510 -11.442 431 2HB ASP 53 1HB ASP 53 3.411 5.327 -12.213 432 H ALA 54 H ALA 54 1.308 6.629 -11.229 433 HA ALA 54 HA ALA 54 0.394 7.825 -13.676 434 1HB ALA 54 1HB ALA 54 -1.069 6.744 -11.289 435 2HB ALA 54 2HB ALA 54 -0.648 5.854 -12.759 436 3HB ALA 54 3HB ALA 54 -1.830 7.162 -12.823 437 H GLN 55 H GLN 55 -0.009 8.737 -10.260 438 HA GLN 55 HA GLN 55 -1.764 10.934 -10.917 439 1HB GLN 55 2HB GLN 55 -0.425 10.056 -8.358 440 2HB GLN 55 1HB GLN 55 -1.483 11.460 -8.471 441 1HG GLN 55 2HG GLN 55 -3.303 9.996 -9.313 442 2HG GLN 55 1HG GLN 55 -2.245 8.598 -9.119 443 1HE2 GLN 55 1HE2 GLN 55 -1.305 10.535 -6.624 444 2HE2 GLN 55 2HE2 GLN 55 -2.360 9.962 -5.420 445 H ALA 56 H ALA 56 1.491 10.558 -9.632 446 HA ALA 56 HA ALA 56 3.163 12.147 -9.256 447 1HB ALA 56 1HB ALA 56 3.907 13.209 -11.315 448 2HB ALA 56 2HB ALA 56 2.325 12.952 -12.055 449 3HB ALA 56 3HB ALA 56 3.355 11.572 -11.674 450 HA PRO 57 HA PRO 57 -0.428 15.086 -8.071 451 1HB PRO 57 2HB PRO 57 1.160 15.623 -5.712 452 2HB PRO 57 1HB PRO 57 -0.402 14.795 -5.837 453 1HG PRO 57 2HG PRO 57 2.308 13.680 -5.696 454 2HG PRO 57 1HG PRO 57 0.755 12.949 -5.256 455 1HD PRO 57 2HD PRO 57 2.094 12.154 -7.449 456 2HD PRO 57 1HD PRO 57 0.323 12.231 -7.443 457 H LYS 58 H LYS 58 -0.070 16.671 -9.539 458 HA LYS 58 HA LYS 58 2.348 18.237 -9.653 459 1HB LYS 58 2HB LYS 58 -0.344 18.661 -10.985 460 2HB LYS 58 1HB LYS 58 1.141 19.532 -11.374 461 1HG LYS 58 2HG LYS 58 2.226 17.339 -11.920 462 2HG LYS 58 1HG LYS 58 0.671 16.547 -11.660 463 1HD LYS 58 2HD LYS 58 -0.316 18.063 -13.415 464 2HD LYS 58 1HD LYS 58 1.313 18.649 -13.751 465 1HE LYS 58 2HE LYS 58 0.346 15.783 -14.011 466 2HE LYS 58 1HE LYS 58 0.750 16.875 -15.336 467 1HZ LYS 58 1HZ LYS 58 2.642 15.562 -15.023 468 2HZ LYS 58 2HZ LYS 58 2.565 15.676 -13.330 469 3HZ LYS 58 3HZ LYS 58 3.020 17.027 -14.256 Start of MODEL 27 1 1H VAL 1 1HT VAL 1 -3.649 -8.306 15.074 2 2H VAL 1 2HT VAL 1 -4.005 -9.945 14.799 3 3H VAL 1 3HT VAL 1 -3.281 -9.013 13.577 4 HA VAL 1 HA VAL 1 -1.235 -8.984 14.581 5 HB VAL 1 HB VAL 1 -2.063 -8.168 16.757 6 1HG1 VAL 1 1HG1 VAL 1 -3.050 -9.579 18.398 7 2HG1 VAL 1 2HG1 VAL 1 -2.642 -11.042 17.506 8 3HG1 VAL 1 3HG1 VAL 1 -3.898 -9.962 16.901 9 1HG2 VAL 1 1HG2 VAL 1 -0.378 -9.201 18.150 10 2HG2 VAL 1 2HG2 VAL 1 0.259 -9.132 16.508 11 3HG2 VAL 1 3HG2 VAL 1 -0.364 -10.653 17.149 12 H ASP 2 H ASP 2 -3.593 -11.473 15.503 13 HA ASP 2 HA ASP 2 -1.854 -13.695 15.517 14 1HB ASP 2 2HB ASP 2 -3.885 -15.036 15.363 15 2HB ASP 2 1HB ASP 2 -4.152 -13.688 16.466 16 H ASN 3 H ASN 3 -3.644 -12.089 12.957 17 HA ASN 3 HA ASN 3 -3.092 -14.053 10.930 18 1HB ASN 3 2HB ASN 3 -3.939 -11.167 10.572 19 2HB ASN 3 1HB ASN 3 -4.120 -12.483 9.413 20 1HD2 ASN 3 1HD2 ASN 3 -5.438 -14.454 10.406 21 2HD2 ASN 3 2HD2 ASN 3 -6.808 -14.027 11.311 22 H LYS 4 H LYS 4 -1.741 -13.730 9.080 23 HA LYS 4 HA LYS 4 0.795 -12.514 9.736 24 1HB LYS 4 2HB LYS 4 0.013 -13.789 7.115 25 2HB LYS 4 1HB LYS 4 1.640 -13.555 7.748 26 1HG LYS 4 2HG LYS 4 -0.473 -15.339 9.012 27 2HG LYS 4 1HG LYS 4 0.868 -15.905 8.022 28 1HD LYS 4 2HD LYS 4 2.480 -14.984 9.644 29 2HD LYS 4 1HD LYS 4 1.153 -14.379 10.635 30 1HE LYS 4 2HE LYS 4 1.296 -17.300 9.910 31 2HE LYS 4 1HE LYS 4 2.228 -16.668 11.267 32 1HZ LYS 4 1HZ LYS 4 0.305 -15.998 12.374 33 2HZ LYS 4 2HZ LYS 4 -0.099 -17.525 11.748 34 3HZ LYS 4 3HZ LYS 4 -0.661 -16.115 10.986 35 H PHE 5 H PHE 5 -1.929 -11.191 8.808 36 HA PHE 5 HA PHE 5 -1.572 -9.686 6.513 37 1HB PHE 5 2HB PHE 5 -2.957 -9.161 9.128 38 2HB PHE 5 1HB PHE 5 -2.891 -7.929 7.881 39 HD1 PHE 5 1HD PHE 5 -3.209 -11.642 7.429 40 HD2 PHE 5 2HD PHE 5 -5.111 -7.783 7.181 41 HE1 PHE 5 1HE PHE 5 -5.184 -12.662 6.302 42 HE2 PHE 5 2HE PHE 5 -7.062 -8.806 6.062 43 HZ PHE 5 HZ PHE 5 -7.099 -11.227 5.618 44 H ASN 6 H ASN 6 -0.904 -8.669 9.855 45 HA ASN 6 HA ASN 6 0.073 -6.153 9.335 46 1HB ASN 6 2HB ASN 6 1.029 -8.026 11.491 47 2HB ASN 6 1HB ASN 6 1.159 -6.270 11.495 48 1HD2 ASN 6 1HD2 ASN 6 -0.977 -8.944 12.151 49 2HD2 ASN 6 2HD2 ASN 6 -2.329 -8.017 12.590 50 H LYS 7 H LYS 7 2.002 -9.159 9.576 51 HA LYS 7 HA LYS 7 4.490 -7.959 9.208 52 1HB LYS 7 2HB LYS 7 4.211 -10.249 9.986 53 2HB LYS 7 1HB LYS 7 3.597 -10.727 8.406 54 1HG LYS 7 2HG LYS 7 5.900 -11.353 8.405 55 2HG LYS 7 1HG LYS 7 5.824 -9.882 7.445 56 1HD LYS 7 2HD LYS 7 6.247 -9.460 10.356 57 2HD LYS 7 1HD LYS 7 7.569 -10.272 9.521 58 1HE LYS 7 2HE LYS 7 6.348 -7.603 8.747 59 2HE LYS 7 1HE LYS 7 7.923 -7.847 9.491 60 1HZ LYS 7 1HZ LYS 7 8.521 -7.753 7.314 61 2HZ LYS 7 2HZ LYS 7 7.051 -8.396 6.754 62 3HZ LYS 7 3HZ LYS 7 8.226 -9.419 7.432 63 H GLU 8 H GLU 8 2.142 -9.182 6.856 64 HA GLU 8 HA GLU 8 3.806 -8.649 4.558 65 1HB GLU 8 2HB GLU 8 1.933 -10.337 4.670 66 2HB GLU 8 1HB GLU 8 0.795 -8.995 4.728 67 1HG GLU 8 2HG GLU 8 0.979 -9.730 2.432 68 2HG GLU 8 1HG GLU 8 1.737 -8.151 2.586 69 H ARG 9 H ARG 9 1.315 -6.991 6.342 70 HA ARG 9 HA ARG 9 0.948 -4.827 4.585 71 1HB ARG 9 2HB ARG 9 0.191 -5.306 7.457 72 2HB ARG 9 1HB ARG 9 -0.169 -3.791 6.628 73 1HG ARG 9 2HG ARG 9 -1.403 -4.980 4.907 74 2HG ARG 9 1HG ARG 9 -0.985 -6.530 5.593 75 1HD ARG 9 2HD ARG 9 -3.121 -6.223 6.437 76 2HD ARG 9 1HD ARG 9 -2.150 -5.555 7.749 77 HE ARG 9 HE ARG 9 -3.990 -4.117 6.094 78 1HH1 ARG 9 1HH2 ARG 9 -2.758 -3.521 8.928 79 2HH1 ARG 9 2HH2 ARG 9 -2.060 -1.967 8.619 80 1HH2 ARG 9 1HH1 ARG 9 -2.310 -2.250 5.177 81 2HH2 ARG 9 2HH1 ARG 9 -1.800 -1.253 6.496 82 H VAL 10 H VAL 10 3.180 -5.407 7.240 83 HA VAL 10 HA VAL 10 3.977 -2.743 7.723 84 HB VAL 10 HB VAL 10 5.845 -5.128 7.809 85 1HG1 VAL 10 1HG1 VAL 10 7.210 -3.805 9.221 86 2HG1 VAL 10 2HG1 VAL 10 5.913 -2.656 9.548 87 3HG1 VAL 10 3HG1 VAL 10 6.689 -2.678 7.961 88 1HG2 VAL 10 1HG2 VAL 10 5.086 -4.647 10.424 89 2HG2 VAL 10 2HG2 VAL 10 4.524 -5.977 9.414 90 3HG2 VAL 10 3HG2 VAL 10 3.566 -4.495 9.543 91 H ILE 11 H ILE 11 5.145 -5.274 5.687 92 HA ILE 11 HA ILE 11 7.266 -3.962 4.446 93 HB ILE 11 HB ILE 11 5.446 -6.171 3.458 94 1HG1 ILE 11 2HG1 ILE 11 8.138 -6.431 4.834 95 2HG1 ILE 11 1HG1 ILE 11 6.609 -6.502 5.717 96 1HG2 ILE 11 1HG2 ILE 11 7.212 -6.788 1.964 97 2HG2 ILE 11 2HG2 ILE 11 8.294 -5.563 2.638 98 3HG2 ILE 11 3HG2 ILE 11 6.876 -5.071 1.706 99 1HD1 ILE 11 1HD1 ILE 11 6.974 -8.243 3.289 100 2HD1 ILE 11 2HD1 ILE 11 5.976 -8.516 4.722 101 3HD1 ILE 11 3HD1 ILE 11 7.725 -8.726 4.812 102 H ALA 12 H ALA 12 3.935 -4.497 3.505 103 HA ALA 12 HA ALA 12 4.005 -3.085 1.059 104 1HB ALA 12 1HB ALA 12 1.955 -4.251 2.870 105 2HB ALA 12 2HB ALA 12 2.375 -4.663 1.197 106 3HB ALA 12 3HB ALA 12 1.444 -3.204 1.531 107 H ILE 13 H ILE 13 2.683 -2.164 4.267 108 HA ILE 13 HA ILE 13 1.716 0.356 3.462 109 HB ILE 13 HB ILE 13 1.159 -0.835 5.634 110 1HG1 ILE 13 2HG1 ILE 13 1.806 2.011 5.239 111 2HG1 ILE 13 1HG1 ILE 13 0.331 1.272 5.832 112 1HG2 ILE 13 1HG2 ILE 13 3.739 0.340 6.695 113 2HG2 ILE 13 2HG2 ILE 13 3.661 -1.298 6.084 114 3HG2 ILE 13 3HG2 ILE 13 2.672 -0.840 7.456 115 1HD1 ILE 13 1HD1 ILE 13 2.852 1.863 7.386 116 2HD1 ILE 13 2HD1 ILE 13 1.537 0.867 8.017 117 3HD1 ILE 13 3HD1 ILE 13 1.250 2.566 7.635 118 H GLY 14 H GLY 14 4.773 -0.856 4.590 119 1HA GLY 14 2HA GLY 14 6.117 1.592 4.876 120 2HA GLY 14 1HA GLY 14 6.873 0.001 4.687 121 H GLU 15 H GLU 15 5.566 -0.677 2.179 122 HA GLU 15 HA GLU 15 7.356 0.592 0.348 123 1HB GLU 15 2HB GLU 15 4.930 -1.171 -0.057 124 2HB GLU 15 1HB GLU 15 5.957 -0.626 -1.376 125 1HG GLU 15 2HG GLU 15 7.585 -1.785 0.717 126 2HG GLU 15 1HG GLU 15 6.294 -2.907 0.262 127 H ILE 16 H ILE 16 3.868 0.688 0.888 128 HA ILE 16 HA ILE 16 3.339 2.557 -1.130 129 HB ILE 16 HB ILE 16 1.744 1.339 1.067 130 1HG1 ILE 16 2HG1 ILE 16 1.384 1.340 -1.929 131 2HG1 ILE 16 1HG1 ILE 16 2.496 0.247 -1.128 132 1HG2 ILE 16 1HG2 ILE 16 1.078 3.892 0.225 133 2HG2 ILE 16 2HG2 ILE 16 -0.062 2.690 0.814 134 3HG2 ILE 16 3HG2 ILE 16 0.197 2.890 -0.931 135 1HD1 ILE 16 1HD1 ILE 16 0.776 -1.131 -0.740 136 2HD1 ILE 16 2HD1 ILE 16 -0.343 0.045 -1.423 137 3HD1 ILE 16 3HD1 ILE 16 0.061 0.102 0.297 138 H MET 17 H MET 17 3.797 2.929 2.334 139 HA MET 17 HA MET 17 2.992 5.625 2.527 140 1HB MET 17 2HB MET 17 4.807 3.888 4.207 141 2HB MET 17 1HB MET 17 4.495 5.582 4.615 142 1HG MET 17 2HG MET 17 2.300 3.547 4.146 143 2HG MET 17 1HG MET 17 2.938 3.924 5.743 144 1HE MET 17 1HE MET 17 0.111 4.035 5.573 145 2HE MET 17 2HE MET 17 -0.002 4.282 3.835 146 3HE MET 17 3HE MET 17 -0.746 5.445 4.934 147 H ARG 18 H ARG 18 5.821 4.193 1.176 148 HA ARG 18 HA ARG 18 7.619 6.402 1.455 149 1HB ARG 18 2HB ARG 18 8.403 4.113 1.031 150 2HB ARG 18 1HB ARG 18 7.564 4.101 -0.517 151 1HG ARG 18 2HG ARG 18 8.970 6.003 -1.279 152 2HG ARG 18 1HG ARG 18 9.843 5.950 0.256 153 1HD ARG 18 2HD ARG 18 10.468 3.583 -0.234 154 2HD ARG 18 1HD ARG 18 9.674 3.728 -1.800 155 HE ARG 18 HE ARG 18 11.448 5.080 -2.540 156 1HH1 ARG 18 1HH2 ARG 18 11.840 6.854 -0.184 157 2HH1 ARG 18 2HH2 ARG 18 13.382 6.352 0.424 158 1HH2 ARG 18 1HH1 ARG 18 13.381 3.355 -1.311 159 2HH2 ARG 18 2HH1 ARG 18 14.255 4.372 -0.215 160 H LEU 19 H LEU 19 5.276 5.349 -0.911 161 HA LEU 19 HA LEU 19 5.815 6.780 -3.149 162 1HB LEU 19 2HB LEU 19 3.052 6.424 -2.004 163 2HB LEU 19 1HB LEU 19 3.498 6.580 -3.704 164 HG LEU 19 HG LEU 19 4.421 4.326 -1.890 165 1HD1 LEU 19 1HD1 LEU 19 2.832 2.918 -2.943 166 2HD1 LEU 19 2HD1 LEU 19 2.413 4.160 -4.128 167 3HD1 LEU 19 3HD1 LEU 19 1.947 4.355 -2.438 168 1HD2 LEU 19 1HD2 LEU 19 4.918 5.080 -4.746 169 2HD2 LEU 19 2HD2 LEU 19 4.892 3.372 -4.288 170 3HD2 LEU 19 3HD2 LEU 19 6.044 4.470 -3.521 171 HA PRO 20 HA PRO 20 5.358 11.011 -1.502 172 1HB PRO 20 2HB PRO 20 6.832 11.974 -3.769 173 2HB PRO 20 1HB PRO 20 7.408 11.791 -2.107 174 1HG PRO 20 2HG PRO 20 8.227 10.324 -4.334 175 2HG PRO 20 1HG PRO 20 8.575 9.953 -2.634 176 1HD PRO 20 2HD PRO 20 6.624 8.696 -4.473 177 2HD PRO 20 1HD PRO 20 7.395 8.037 -3.019 178 H ASN 21 H ASN 21 4.610 9.594 -4.552 179 HA ASN 21 HA ASN 21 3.332 11.963 -5.666 180 1HB ASN 21 2HB ASN 21 3.516 9.176 -6.751 181 2HB ASN 21 1HB ASN 21 3.115 10.621 -7.662 182 1HD2 ASN 21 1HD2 ASN 21 4.891 11.789 -8.520 183 2HD2 ASN 21 2HD2 ASN 21 6.512 11.481 -8.116 184 H LEU 22 H LEU 22 2.257 10.391 -3.282 185 HA LEU 22 HA LEU 22 -0.515 10.162 -4.272 186 1HB LEU 22 2HB LEU 22 0.917 8.342 -2.326 187 2HB LEU 22 1HB LEU 22 -0.827 8.319 -2.603 188 HG LEU 22 HG LEU 22 1.076 8.062 -4.925 189 1HD1 LEU 22 1HD1 LEU 22 1.673 5.972 -4.402 190 2HD1 LEU 22 2HD1 LEU 22 0.033 5.530 -3.930 191 3HD1 LEU 22 3HD1 LEU 22 1.108 6.301 -2.765 192 1HD2 LEU 22 1HD2 LEU 22 -1.272 6.427 -4.995 193 2HD2 LEU 22 2HD2 LEU 22 -0.860 7.805 -6.037 194 3HD2 LEU 22 3HD2 LEU 22 -1.751 8.063 -4.520 195 H ASN 23 H ASN 23 -2.107 10.886 -2.848 196 HA ASN 23 HA ASN 23 -1.118 12.625 -0.701 197 1HB ASN 23 2HB ASN 23 -3.687 12.952 -0.368 198 2HB ASN 23 1HB ASN 23 -2.904 13.705 -1.749 199 1HD2 ASN 23 1HD2 ASN 23 -3.660 13.145 -3.810 200 2HD2 ASN 23 2HD2 ASN 23 -4.799 11.918 -4.098 201 H SER 24 H SER 24 -2.024 12.367 1.457 202 HA SER 24 HA SER 24 -1.373 9.940 2.548 203 1HB SER 24 2HB SER 24 -3.504 11.798 3.571 204 2HB SER 24 1HB SER 24 -2.582 10.607 4.509 205 HG SER 24 HG SER 24 -0.680 11.797 3.875 206 H LEU 25 H LEU 25 -4.499 10.982 1.319 207 HA LEU 25 HA LEU 25 -5.993 8.809 2.324 208 1HB LEU 25 2HB LEU 25 -6.593 10.446 -0.133 209 2HB LEU 25 1HB LEU 25 -7.733 9.554 0.864 210 HG LEU 25 HG LEU 25 -7.995 11.764 1.633 211 1HD1 LEU 25 1HD1 LEU 25 -7.389 11.749 3.864 212 2HD1 LEU 25 2HD1 LEU 25 -5.810 11.041 3.531 213 3HD1 LEU 25 3HD1 LEU 25 -7.263 10.039 3.453 214 1HD2 LEU 25 1HD2 LEU 25 -6.492 13.434 1.434 215 2HD2 LEU 25 2HD2 LEU 25 -5.594 12.290 0.439 216 3HD2 LEU 25 3HD2 LEU 25 -5.200 12.473 2.150 217 H GLN 26 H GLN 26 -4.339 9.268 -0.821 218 HA GLN 26 HA GLN 26 -5.227 6.802 -1.873 219 1HB GLN 26 2HB GLN 26 -2.931 8.582 -2.467 220 2HB GLN 26 1HB GLN 26 -3.238 7.110 -3.356 221 1HG GLN 26 2HG GLN 26 -5.308 7.881 -4.177 222 2HG GLN 26 1HG GLN 26 -5.433 9.124 -2.927 223 1HE2 GLN 26 1HE2 GLN 26 -5.680 9.539 -5.785 224 2HE2 GLN 26 2HE2 GLN 26 -4.433 10.593 -6.249 225 H VAL 27 H VAL 27 -2.425 7.966 -0.188 226 HA VAL 27 HA VAL 27 -0.814 5.699 -0.080 227 HB VAL 27 HB VAL 27 -1.265 8.142 1.625 228 1HG1 VAL 27 1HG1 VAL 27 0.246 5.743 2.421 229 2HG1 VAL 27 2HG1 VAL 27 -0.488 7.024 3.405 230 3HG1 VAL 27 3HG1 VAL 27 1.073 7.289 2.623 231 1HG2 VAL 27 1HG2 VAL 27 1.249 8.378 0.912 232 2HG2 VAL 27 2HG2 VAL 27 -0.017 8.710 -0.268 233 3HG2 VAL 27 3HG2 VAL 27 0.831 7.165 -0.297 234 H VAL 28 H VAL 28 -3.405 6.892 1.949 235 HA VAL 28 HA VAL 28 -3.327 4.689 3.781 236 HB VAL 28 HB VAL 28 -5.411 6.825 3.451 237 1HG1 VAL 28 1HG1 VAL 28 -6.267 4.749 4.549 238 2HG1 VAL 28 2HG1 VAL 28 -6.087 6.055 5.728 239 3HG1 VAL 28 3HG1 VAL 28 -4.872 4.773 5.638 240 1HG2 VAL 28 1HG2 VAL 28 -3.570 6.662 5.772 241 2HG2 VAL 28 2HG2 VAL 28 -4.070 8.075 4.839 242 3HG2 VAL 28 3HG2 VAL 28 -2.781 7.022 4.234 243 H ALA 29 H ALA 29 -5.083 5.504 0.945 244 HA ALA 29 HA ALA 29 -7.198 3.710 0.967 245 1HB ALA 29 1HB ALA 29 -5.484 4.219 -1.457 246 2HB ALA 29 2HB ALA 29 -6.469 5.512 -0.757 247 3HB ALA 29 3HB ALA 29 -7.240 4.040 -1.353 248 H PHE 30 H PHE 30 -3.822 3.403 0.198 249 HA PHE 30 HA PHE 30 -3.958 0.747 -0.705 250 1HB PHE 30 2HB PHE 30 -1.837 2.689 0.047 251 2HB PHE 30 1HB PHE 30 -1.453 1.000 -0.193 252 HD1 PHE 30 1HD PHE 30 -2.468 -0.136 -2.322 253 HD2 PHE 30 2HD PHE 30 -1.935 4.077 -1.796 254 HE1 PHE 30 1HE PHE 30 -2.635 0.196 -4.754 255 HE2 PHE 30 2HE PHE 30 -2.173 4.430 -4.178 256 HZ PHE 30 HZ PHE 30 -2.515 2.481 -5.715 257 H ILE 31 H ILE 31 -3.266 2.391 2.398 258 HA ILE 31 HA ILE 31 -2.356 0.100 3.789 259 HB ILE 31 HB ILE 31 -4.232 2.212 4.918 260 1HG1 ILE 31 2HG1 ILE 31 -1.211 2.170 5.018 261 2HG1 ILE 31 1HG1 ILE 31 -2.144 3.188 3.931 262 1HG2 ILE 31 1HG2 ILE 31 -2.177 0.515 6.356 263 2HG2 ILE 31 2HG2 ILE 31 -3.883 0.081 6.255 264 3HG2 ILE 31 3HG2 ILE 31 -3.397 1.561 7.077 265 1HD1 ILE 31 1HD1 ILE 31 -2.438 4.691 5.596 266 2HD1 ILE 31 2HD1 ILE 31 -1.517 3.663 6.689 267 3HD1 ILE 31 3HD1 ILE 31 -3.263 3.464 6.549 268 H ASN 32 H ASN 32 -5.495 1.376 2.954 269 HA ASN 32 HA ASN 32 -7.096 -0.534 4.327 270 1HB ASN 32 2HB ASN 32 -7.490 1.542 2.212 271 2HB ASN 32 1HB ASN 32 -8.784 0.380 2.509 272 1HD2 ASN 32 1HD2 ASN 32 -7.400 3.318 3.583 273 2HD2 ASN 32 2HD2 ASN 32 -8.228 3.442 5.059 274 H SER 33 H SER 33 -5.782 -0.431 1.030 275 HA SER 33 HA SER 33 -7.291 -2.621 0.069 276 1HB SER 33 2HB SER 33 -4.585 -1.679 -0.864 277 2HB SER 33 1HB SER 33 -5.756 -2.633 -1.772 278 HG SER 33 HG SER 33 -6.199 -0.024 -0.740 279 H LEU 34 H LEU 34 -4.226 -2.360 1.786 280 HA LEU 34 HA LEU 34 -3.266 -4.993 1.342 281 1HB LEU 34 2HB LEU 34 -2.814 -3.735 4.027 282 2HB LEU 34 1HB LEU 34 -1.717 -4.687 3.034 283 HG LEU 34 HG LEU 34 -2.523 -1.817 2.653 284 1HD1 LEU 34 1HD1 LEU 34 0.125 -1.765 2.591 285 2HD1 LEU 34 2HD1 LEU 34 -0.064 -3.246 3.527 286 3HD1 LEU 34 3HD1 LEU 34 -0.757 -1.737 4.117 287 1HD2 LEU 34 1HD2 LEU 34 -1.375 -3.787 0.742 288 2HD2 LEU 34 2HD2 LEU 34 -0.650 -2.182 0.756 289 3HD2 LEU 34 3HD2 LEU 34 -2.369 -2.370 0.423 290 H ARG 35 H ARG 35 -5.308 -3.721 3.967 291 HA ARG 35 HA ARG 35 -5.579 -6.279 5.240 292 1HB ARG 35 2HB ARG 35 -7.298 -5.199 6.618 293 2HB ARG 35 1HB ARG 35 -5.841 -4.225 6.504 294 1HG ARG 35 2HG ARG 35 -6.882 -2.842 4.758 295 2HG ARG 35 1HG ARG 35 -8.357 -3.800 4.875 296 1HD ARG 35 2HD ARG 35 -8.490 -3.149 7.305 297 2HD ARG 35 1HD ARG 35 -7.123 -2.071 7.039 298 HE ARG 35 HE ARG 35 -8.699 -0.567 6.275 299 1HH1 ARG 35 1HH1 ARG 35 -10.689 -3.099 6.736 300 2HH1 ARG 35 2HH1 ARG 35 -11.651 -2.909 5.309 301 1HH2 ARG 35 1HH2 ARG 35 -9.510 -0.616 3.855 302 2HH2 ARG 35 2HH2 ARG 35 -10.982 -1.507 3.679 303 H ASP 36 H ASP 36 -7.360 -4.482 2.845 304 HA ASP 36 HA ASP 36 -9.663 -6.157 2.766 305 1HB ASP 36 2HB ASP 36 -8.423 -4.267 0.738 306 2HB ASP 36 1HB ASP 36 -9.950 -5.105 0.476 307 H ASP 37 H ASP 37 -6.413 -6.392 1.732 308 HA ASP 37 HA ASP 37 -6.707 -9.096 0.857 309 1HB ASP 37 2HB ASP 37 -7.618 -7.683 -1.096 310 2HB ASP 37 1HB ASP 37 -5.947 -7.211 -1.367 311 HA PRO 38 HA PRO 38 -2.441 -7.992 2.180 312 1HB PRO 38 2HB PRO 38 -2.183 -10.663 3.236 313 2HB PRO 38 1HB PRO 38 -2.275 -9.132 4.119 314 1HG PRO 38 2HG PRO 38 -4.214 -11.117 4.064 315 2HG PRO 38 1HG PRO 38 -4.415 -9.458 4.632 316 1HD PRO 38 2HD PRO 38 -5.357 -10.692 2.117 317 2HD PRO 38 1HD PRO 38 -5.966 -9.258 2.971 318 H SER 39 H SER 39 -3.710 -10.783 0.483 319 HA SER 39 HA SER 39 -1.281 -11.871 -0.485 320 1HB SER 39 2HB SER 39 -3.960 -11.935 -1.896 321 2HB SER 39 1HB SER 39 -2.633 -13.079 -2.060 322 HG SER 39 HG SER 39 -4.268 -12.598 0.209 323 H GLN 40 H GLN 40 -3.364 -9.249 -1.441 324 HA GLN 40 HA GLN 40 -1.832 -8.742 -3.869 325 1HB GLN 40 2HB GLN 40 -4.348 -7.518 -2.749 326 2HB GLN 40 1HB GLN 40 -3.533 -6.895 -4.182 327 1HG GLN 40 2HG GLN 40 -3.739 -9.108 -5.262 328 2HG GLN 40 1HG GLN 40 -4.571 -9.726 -3.840 329 1HE2 GLN 40 1HE2 GLN 40 -5.538 -9.313 -6.699 330 2HE2 GLN 40 2HE2 GLN 40 -6.946 -8.381 -6.541 331 H SER 41 H SER 41 -1.191 -8.168 -0.772 332 HA SER 41 HA SER 41 -0.817 -5.410 -0.446 333 1HB SER 41 2HB SER 41 0.852 -6.006 1.231 334 2HB SER 41 1HB SER 41 -0.449 -7.181 1.334 335 HG SER 41 HG SER 41 0.855 -8.680 0.615 336 H ALA 42 H ALA 42 0.981 -7.870 -2.113 337 HA ALA 42 HA ALA 42 3.270 -6.349 -2.791 338 1HB ALA 42 1HB ALA 42 3.258 -8.801 -2.732 339 2HB ALA 42 2HB ALA 42 3.737 -8.208 -4.323 340 3HB ALA 42 3HB ALA 42 2.102 -8.817 -4.064 341 H ASN 43 H ASN 43 0.193 -7.014 -4.332 342 HA ASN 43 HA ASN 43 0.771 -5.912 -6.905 343 1HB ASN 43 2HB ASN 43 -1.062 -7.536 -6.128 344 2HB ASN 43 1HB ASN 43 -1.875 -6.089 -5.541 345 1HD2 ASN 43 1HD2 ASN 43 -3.582 -6.664 -7.174 346 2HD2 ASN 43 2HD2 ASN 43 -3.360 -6.200 -8.792 347 H LEU 44 H LEU 44 -0.559 -4.873 -3.903 348 HA LEU 44 HA LEU 44 -1.752 -2.515 -4.783 349 1HB LEU 44 2HB LEU 44 -0.918 -3.501 -2.101 350 2HB LEU 44 1HB LEU 44 -1.779 -1.981 -2.313 351 HG LEU 44 HG LEU 44 -2.749 -4.506 -3.630 352 1HD1 LEU 44 1HD1 LEU 44 -3.403 -3.571 -0.841 353 2HD1 LEU 44 2HD1 LEU 44 -2.724 -5.123 -1.322 354 3HD1 LEU 44 3HD1 LEU 44 -4.382 -4.722 -1.747 355 1HD2 LEU 44 1HD2 LEU 44 -4.897 -3.264 -3.530 356 2HD2 LEU 44 2HD2 LEU 44 -3.647 -2.466 -4.484 357 3HD2 LEU 44 3HD2 LEU 44 -4.016 -1.892 -2.851 358 H LEU 45 H LEU 45 1.523 -3.011 -3.470 359 HA LEU 45 HA LEU 45 1.976 -0.155 -3.640 360 1HB LEU 45 2HB LEU 45 4.508 -1.420 -4.089 361 2HB LEU 45 1HB LEU 45 4.010 -0.427 -2.737 362 HG LEU 45 HG LEU 45 4.831 -2.529 -1.942 363 1HD1 LEU 45 1HD1 LEU 45 2.903 -3.312 -0.667 364 2HD1 LEU 45 2HD1 LEU 45 1.825 -2.445 -1.747 365 3HD1 LEU 45 3HD1 LEU 45 2.952 -1.554 -0.736 366 1HD2 LEU 45 1HD2 LEU 45 4.433 -4.511 -2.935 367 2HD2 LEU 45 2HD2 LEU 45 3.938 -3.507 -4.303 368 3HD2 LEU 45 3HD2 LEU 45 2.733 -4.150 -3.195 369 H ALA 46 H ALA 46 2.087 -2.939 -5.665 370 HA ALA 46 HA ALA 46 3.514 -1.921 -7.890 371 1HB ALA 46 1HB ALA 46 1.160 -3.587 -8.499 372 2HB ALA 46 2HB ALA 46 2.239 -4.287 -7.294 373 3HB ALA 46 3HB ALA 46 2.858 -3.864 -8.892 374 H GLU 47 H GLU 47 0.161 -1.859 -6.896 375 HA GLU 47 HA GLU 47 -0.941 -0.407 -9.079 376 1HB GLU 47 2HB GLU 47 -1.677 -1.333 -6.357 377 2HB GLU 47 1HB GLU 47 -2.546 0.091 -6.931 378 1HG GLU 47 2HG GLU 47 -3.569 -1.053 -8.659 379 2HG GLU 47 1HG GLU 47 -2.285 -2.258 -8.769 380 H ALA 48 H ALA 48 0.078 0.323 -5.840 381 HA ALA 48 HA ALA 48 -0.393 3.064 -5.742 382 1HB ALA 48 1HB ALA 48 1.918 1.864 -4.314 383 2HB ALA 48 2HB ALA 48 0.296 1.308 -3.924 384 3HB ALA 48 3HB ALA 48 0.704 3.004 -3.733 385 H LYS 49 H LYS 49 2.513 1.266 -6.621 386 HA LYS 49 HA LYS 49 4.147 3.534 -7.155 387 1HB LYS 49 2HB LYS 49 4.221 0.671 -8.145 388 2HB LYS 49 1HB LYS 49 5.423 1.870 -8.627 389 1HG LYS 49 2HG LYS 49 6.072 2.234 -6.311 390 2HG LYS 49 1HG LYS 49 4.786 1.182 -5.735 391 1HD LYS 49 2HD LYS 49 5.866 -0.697 -7.064 392 2HD LYS 49 1HD LYS 49 7.230 0.388 -7.342 393 1HE LYS 49 2HE LYS 49 7.503 0.634 -4.875 394 2HE LYS 49 1HE LYS 49 6.192 -0.521 -4.636 395 1HZ LYS 49 1HZ LYS 49 7.505 -2.130 -5.952 396 2HZ LYS 49 2HZ LYS 49 8.251 -1.676 -4.494 397 3HZ LYS 49 3HZ LYS 49 8.793 -1.027 -5.968 398 H LYS 50 H LYS 50 1.739 1.714 -8.955 399 HA LYS 50 HA LYS 50 2.174 2.989 -11.492 400 1HB LYS 50 2HB LYS 50 0.813 0.776 -10.784 401 2HB LYS 50 1HB LYS 50 -0.519 1.921 -10.758 402 1HG LYS 50 2HG LYS 50 -0.595 1.286 -12.982 403 2HG LYS 50 1HG LYS 50 0.504 2.659 -13.100 404 1HD LYS 50 2HD LYS 50 1.557 0.893 -14.316 405 2HD LYS 50 1HD LYS 50 2.417 0.985 -12.781 406 1HE LYS 50 2HE LYS 50 1.340 -0.957 -11.932 407 2HE LYS 50 1HE LYS 50 0.079 -0.897 -13.166 408 1HZ LYS 50 1HZ LYS 50 1.670 -1.461 -14.838 409 2HZ LYS 50 2HZ LYS 50 1.793 -2.600 -13.583 410 3HZ LYS 50 3HZ LYS 50 2.954 -1.369 -13.733 411 H LEU 51 H LEU 51 0.184 3.532 -8.653 412 HA LEU 51 HA LEU 51 -1.470 5.623 -9.622 413 1HB LEU 51 2HB LEU 51 -0.686 4.525 -6.981 414 2HB LEU 51 1HB LEU 51 -1.295 6.153 -7.008 415 HG LEU 51 HG LEU 51 -3.007 4.384 -6.575 416 1HD1 LEU 51 1HD1 LEU 51 -3.141 6.525 -8.608 417 2HD1 LEU 51 2HD1 LEU 51 -4.074 6.301 -7.126 418 3HD1 LEU 51 3HD1 LEU 51 -4.496 5.391 -8.585 419 1HD2 LEU 51 1HD2 LEU 51 -2.619 2.552 -7.930 420 2HD2 LEU 51 2HD2 LEU 51 -2.125 3.533 -9.308 421 3HD2 LEU 51 3HD2 LEU 51 -3.833 3.384 -8.904 422 H ASN 52 H ASN 52 1.555 5.483 -7.829 423 HA ASN 52 HA ASN 52 1.944 8.217 -7.428 424 1HB ASN 52 2HB ASN 52 3.404 6.986 -6.150 425 2HB ASN 52 1HB ASN 52 3.536 5.721 -7.357 426 1HD2 ASN 52 1HD2 ASN 52 5.902 6.222 -6.259 427 2HD2 ASN 52 2HD2 ASN 52 6.888 7.210 -7.225 428 H ASP 53 H ASP 53 3.084 6.028 -9.923 429 HA ASP 53 HA ASP 53 4.423 7.963 -11.417 430 1HB ASP 53 2HB ASP 53 4.813 5.510 -11.581 431 2HB ASP 53 1HB ASP 53 3.249 5.345 -12.377 432 H ALA 54 H ALA 54 1.156 6.709 -11.427 433 HA ALA 54 HA ALA 54 0.305 7.890 -13.899 434 1HB ALA 54 1HB ALA 54 -1.947 7.294 -13.054 435 2HB ALA 54 2HB ALA 54 -1.203 6.877 -11.509 436 3HB ALA 54 3HB ALA 54 -0.798 5.957 -12.964 437 H GLN 55 H GLN 55 -0.067 8.837 -10.498 438 HA GLN 55 HA GLN 55 -1.753 11.088 -11.160 439 1HB GLN 55 2HB GLN 55 -0.411 10.127 -8.641 440 2HB GLN 55 1HB GLN 55 -1.445 11.551 -8.706 441 1HG GLN 55 2HG GLN 55 -3.339 10.234 -9.409 442 2HG GLN 55 1HG GLN 55 -2.328 8.804 -9.628 443 1HE2 GLN 55 1HE2 GLN 55 -1.304 10.593 -6.908 444 2HE2 GLN 55 2HE2 GLN 55 -2.088 9.641 -5.734 445 H ALA 56 H ALA 56 1.460 10.619 -9.814 446 HA ALA 56 HA ALA 56 3.168 12.165 -9.389 447 1HB ALA 56 1HB ALA 56 2.440 13.033 -12.202 448 2HB ALA 56 2HB ALA 56 3.387 11.595 -11.824 449 3HB ALA 56 3HB ALA 56 4.012 13.194 -11.416 450 HA PRO 57 HA PRO 57 -0.432 15.152 -8.312 451 1HB PRO 57 2HB PRO 57 1.085 15.659 -5.897 452 2HB PRO 57 1HB PRO 57 -0.486 14.855 -6.077 453 1HG PRO 57 2HG PRO 57 2.206 13.698 -5.869 454 2HG PRO 57 1HG PRO 57 0.631 12.994 -5.465 455 1HD PRO 57 2HD PRO 57 1.990 12.163 -7.625 456 2HD PRO 57 1HD PRO 57 0.225 12.309 -7.672 457 H LYS 58 H LYS 58 0.074 16.674 -9.850 458 HA LYS 58 HA LYS 58 2.475 18.212 -9.919 459 1HB LYS 58 2HB LYS 58 -0.231 18.786 -11.163 460 2HB LYS 58 1HB LYS 58 1.302 19.536 -11.616 461 1HG LYS 58 2HG LYS 58 2.203 17.293 -12.203 462 2HG LYS 58 1HG LYS 58 0.638 16.580 -11.814 463 1HD LYS 58 2HD LYS 58 -0.397 18.103 -13.544 464 2HD LYS 58 1HD LYS 58 1.238 18.579 -14.013 465 1HE LYS 58 2HE LYS 58 0.722 16.818 -15.503 466 2HE LYS 58 1HE LYS 58 1.693 16.040 -14.253 467 1HZ LYS 58 1HZ LYS 58 -1.275 16.093 -14.334 468 2HZ LYS 58 2HZ LYS 58 -0.322 15.317 -13.161 469 3HZ LYS 58 3HZ LYS 58 -0.307 14.770 -14.769 Start of MODEL 28 1 1H VAL 1 1HT VAL 1 -2.024 -6.728 17.054 2 2H VAL 1 2HT VAL 1 -1.706 -5.795 15.671 3 3H VAL 1 3HT VAL 1 -0.431 -6.279 16.685 4 HA VAL 1 HA VAL 1 -0.836 -7.539 14.492 5 HB VAL 1 HB VAL 1 0.782 -8.168 16.275 6 1HG1 VAL 1 1HG1 VAL 1 0.155 -9.673 18.065 7 2HG1 VAL 1 2HG1 VAL 1 -1.486 -9.818 17.437 8 3HG1 VAL 1 3HG1 VAL 1 -0.934 -8.288 18.119 9 1HG2 VAL 1 1HG2 VAL 1 -0.739 -10.622 15.345 10 2HG2 VAL 1 2HG2 VAL 1 0.992 -10.474 15.648 11 3HG2 VAL 1 3HG2 VAL 1 0.266 -9.657 14.263 12 H ASP 2 H ASP 2 -1.967 -9.368 13.643 13 HA ASP 2 HA ASP 2 -4.384 -10.278 15.006 14 1HB ASP 2 2HB ASP 2 -5.758 -9.764 12.928 15 2HB ASP 2 1HB ASP 2 -5.313 -8.374 13.912 16 H ASN 3 H ASN 3 -2.691 -10.277 11.883 17 HA ASN 3 HA ASN 3 -2.509 -13.199 11.907 18 1HB ASN 3 2HB ASN 3 -3.764 -11.694 9.592 19 2HB ASN 3 1HB ASN 3 -3.514 -13.433 9.697 20 1HD2 ASN 3 1HD2 ASN 3 -5.626 -10.810 10.610 21 2HD2 ASN 3 2HD2 ASN 3 -6.764 -11.757 11.441 22 H LYS 4 H LYS 4 -1.632 -13.472 9.239 23 HA LYS 4 HA LYS 4 1.045 -12.472 9.434 24 1HB LYS 4 2HB LYS 4 -0.287 -13.670 7.006 25 2HB LYS 4 1HB LYS 4 1.441 -13.533 7.299 26 1HG LYS 4 2HG LYS 4 1.183 -14.996 9.317 27 2HG LYS 4 1HG LYS 4 -0.512 -15.233 8.882 28 1HD LYS 4 2HD LYS 4 0.226 -16.130 6.664 29 2HD LYS 4 1HD LYS 4 1.900 -15.995 7.202 30 1HE LYS 4 2HE LYS 4 -0.219 -17.622 8.641 31 2HE LYS 4 1HE LYS 4 0.940 -18.297 7.496 32 1HZ LYS 4 1HZ LYS 4 2.713 -17.301 8.937 33 2HZ LYS 4 2HZ LYS 4 1.852 -18.589 9.635 34 3HZ LYS 4 3HZ LYS 4 1.512 -16.989 10.092 35 H PHE 5 H PHE 5 -1.762 -11.023 8.667 36 HA PHE 5 HA PHE 5 -1.430 -9.517 6.372 37 1HB PHE 5 2HB PHE 5 -2.655 -8.848 9.047 38 2HB PHE 5 1HB PHE 5 -2.662 -7.735 7.696 39 HD1 PHE 5 1HD PHE 5 -4.968 -7.580 7.353 40 HD2 PHE 5 2HD PHE 5 -3.064 -11.444 7.417 41 HE1 PHE 5 1HE PHE 5 -7.046 -8.607 6.504 42 HE2 PHE 5 2HE PHE 5 -5.157 -12.464 6.553 43 HZ PHE 5 HZ PHE 5 -7.144 -11.032 6.096 44 H ASN 6 H ASN 6 -0.607 -8.661 9.710 45 HA ASN 6 HA ASN 6 0.441 -6.155 9.321 46 1HB ASN 6 2HB ASN 6 1.499 -8.183 11.277 47 2HB ASN 6 1HB ASN 6 1.553 -6.429 11.424 48 1HD2 ASN 6 1HD2 ASN 6 -0.679 -5.322 11.509 49 2HD2 ASN 6 2HD2 ASN 6 -1.943 -6.163 12.267 50 H LYS 7 H LYS 7 2.258 -9.241 9.244 51 HA LYS 7 HA LYS 7 4.767 -8.078 8.817 52 1HB LYS 7 2HB LYS 7 4.491 -10.388 9.505 53 2HB LYS 7 1HB LYS 7 3.750 -10.785 7.958 54 1HG LYS 7 2HG LYS 7 6.049 -11.466 7.807 55 2HG LYS 7 1HG LYS 7 5.908 -9.997 6.849 56 1HD LYS 7 2HD LYS 7 6.563 -9.555 9.710 57 2HD LYS 7 1HD LYS 7 7.806 -10.397 8.788 58 1HE LYS 7 2HE LYS 7 7.527 -8.536 7.028 59 2HE LYS 7 1HE LYS 7 6.636 -7.659 8.270 60 1HZ LYS 7 1HZ LYS 7 9.466 -8.483 8.263 61 2HZ LYS 7 2HZ LYS 7 8.660 -8.171 9.726 62 3HZ LYS 7 3HZ LYS 7 8.803 -6.949 8.554 63 H GLU 8 H GLU 8 2.277 -9.182 6.524 64 HA GLU 8 HA GLU 8 3.835 -8.528 4.187 65 1HB GLU 8 2HB GLU 8 1.932 -10.178 4.280 66 2HB GLU 8 1HB GLU 8 0.829 -8.820 4.473 67 1HG GLU 8 2HG GLU 8 0.889 -9.412 2.131 68 2HG GLU 8 1HG GLU 8 1.691 -7.861 2.339 69 H ARG 9 H ARG 9 1.499 -6.920 6.208 70 HA ARG 9 HA ARG 9 1.083 -4.645 4.604 71 1HB ARG 9 2HB ARG 9 0.491 -5.275 7.479 72 2HB ARG 9 1HB ARG 9 0.168 -3.683 6.795 73 1HG ARG 9 2HG ARG 9 -1.211 -4.708 5.039 74 2HG ARG 9 1HG ARG 9 -0.913 -6.304 5.694 75 1HD ARG 9 2HD ARG 9 -2.423 -4.029 6.998 76 2HD ARG 9 1HD ARG 9 -3.065 -5.588 6.475 77 HE ARG 9 HE ARG 9 -1.131 -6.250 8.298 78 1HH1 ARG 9 1HH1 ARG 9 -1.673 -3.659 9.671 79 2HH1 ARG 9 2HH1 ARG 9 -2.956 -4.070 10.760 80 1HH2 ARG 9 1HH2 ARG 9 -3.756 -7.014 9.126 81 2HH2 ARG 9 2HH2 ARG 9 -4.131 -5.970 10.452 82 H VAL 10 H VAL 10 3.473 -5.426 7.079 83 HA VAL 10 HA VAL 10 4.348 -2.789 7.604 84 HB VAL 10 HB VAL 10 6.175 -5.203 7.511 85 1HG1 VAL 10 1HG1 VAL 10 7.662 -3.933 8.809 86 2HG1 VAL 10 2HG1 VAL 10 6.400 -2.836 9.367 87 3HG1 VAL 10 3HG1 VAL 10 7.000 -2.716 7.708 88 1HG2 VAL 10 1HG2 VAL 10 5.579 -4.821 10.177 89 2HG2 VAL 10 2HG2 VAL 10 4.915 -6.091 9.151 90 3HG2 VAL 10 3HG2 VAL 10 4.012 -4.590 9.402 91 H ILE 11 H ILE 11 5.390 -5.297 5.467 92 HA ILE 11 HA ILE 11 7.442 -3.977 4.132 93 HB ILE 11 HB ILE 11 5.548 -6.141 3.184 94 1HG1 ILE 11 2HG1 ILE 11 8.305 -6.476 4.405 95 2HG1 ILE 11 1HG1 ILE 11 6.828 -6.541 5.374 96 1HG2 ILE 11 1HG2 ILE 11 7.253 -6.734 1.593 97 2HG2 ILE 11 2HG2 ILE 11 8.353 -5.510 2.238 98 3HG2 ILE 11 3HG2 ILE 11 6.886 -5.014 1.388 99 1HD1 ILE 11 1HD1 ILE 11 7.798 -8.774 4.422 100 2HD1 ILE 11 2HD1 ILE 11 7.100 -8.237 2.892 101 3HD1 ILE 11 3HD1 ILE 11 6.060 -8.489 4.299 102 H ALA 12 H ALA 12 4.053 -4.459 3.368 103 HA ALA 12 HA ALA 12 4.010 -2.979 0.953 104 1HB ALA 12 1HB ALA 12 1.496 -3.096 1.488 105 2HB ALA 12 2HB ALA 12 2.005 -4.088 2.865 106 3HB ALA 12 3HB ALA 12 2.389 -4.592 1.214 107 H ILE 13 H ILE 13 2.817 -2.118 4.248 108 HA ILE 13 HA ILE 13 1.873 0.418 3.520 109 HB ILE 13 HB ILE 13 1.426 -0.784 5.711 110 1HG1 ILE 13 2HG1 ILE 13 2.057 2.061 5.282 111 2HG1 ILE 13 1HG1 ILE 13 0.598 1.331 5.931 112 1HG2 ILE 13 1HG2 ILE 13 4.046 0.407 6.653 113 2HG2 ILE 13 2HG2 ILE 13 3.960 -1.230 6.035 114 3HG2 ILE 13 3HG2 ILE 13 3.029 -0.790 7.455 115 1HD1 ILE 13 1HD1 ILE 13 1.590 2.613 7.702 116 2HD1 ILE 13 2HD1 ILE 13 3.185 1.923 7.379 117 3HD1 ILE 13 3HD1 ILE 13 1.907 0.914 8.064 118 H GLY 14 H GLY 14 4.988 -0.797 4.465 119 1HA GLY 14 2HA GLY 14 6.345 1.639 4.713 120 2HA GLY 14 1HA GLY 14 7.090 0.052 4.429 121 H GLU 15 H GLU 15 5.641 -0.590 2.018 122 HA GLU 15 HA GLU 15 7.243 0.751 0.063 123 1HB GLU 15 2HB GLU 15 4.850 -1.082 -0.196 124 2HB GLU 15 1HB GLU 15 5.800 -0.515 -1.559 125 1HG GLU 15 2HG GLU 15 7.537 -1.642 0.468 126 2HG GLU 15 1HG GLU 15 6.266 -2.794 0.030 127 H ILE 16 H ILE 16 3.836 0.748 0.914 128 HA ILE 16 HA ILE 16 2.899 2.450 -1.091 129 HB ILE 16 HB ILE 16 1.690 1.970 1.622 130 1HG1 ILE 16 2HG1 ILE 16 2.428 0.048 -0.260 131 2HG1 ILE 16 1HG1 ILE 16 1.337 -0.181 1.087 132 1HG2 ILE 16 1HG2 ILE 16 -0.348 2.606 0.734 133 2HG2 ILE 16 2HG2 ILE 16 0.174 2.429 -0.949 134 3HG2 ILE 16 3HG2 ILE 16 0.754 3.776 0.027 135 1HD1 ILE 16 1HD1 ILE 16 -0.426 -0.427 -0.270 136 2HD1 ILE 16 2HD1 ILE 16 0.771 -0.651 -1.544 137 3HD1 ILE 16 3HD1 ILE 16 0.036 0.933 -1.303 138 H MET 17 H MET 17 3.686 3.015 2.295 139 HA MET 17 HA MET 17 2.974 5.743 2.415 140 1HB MET 17 2HB MET 17 4.774 4.011 4.131 141 2HB MET 17 1HB MET 17 4.375 5.689 4.531 142 1HG MET 17 2HG MET 17 2.287 3.547 4.023 143 2HG MET 17 1HG MET 17 2.878 3.957 5.629 144 1HE MET 17 1HE MET 17 -0.072 4.152 3.715 145 2HE MET 17 2HE MET 17 -0.872 5.277 4.813 146 3HE MET 17 3HE MET 17 0.050 3.920 5.462 147 H ARG 18 H ARG 18 5.840 4.160 1.228 148 HA ARG 18 HA ARG 18 7.688 6.312 1.483 149 1HB ARG 18 2HB ARG 18 8.357 3.965 1.105 150 2HB ARG 18 1HB ARG 18 7.610 4.010 -0.490 151 1HG ARG 18 2HG ARG 18 9.162 5.871 -1.118 152 2HG ARG 18 1HG ARG 18 9.955 5.694 0.449 153 1HD ARG 18 2HD ARG 18 10.418 3.300 -0.118 154 2HD ARG 18 1HD ARG 18 9.739 3.588 -1.718 155 HE ARG 18 HE ARG 18 11.652 4.840 -2.273 156 1HH1 ARG 18 1HH2 ARG 18 12.045 6.422 0.217 157 2HH1 ARG 18 2HH2 ARG 18 13.503 5.755 0.872 158 1HH2 ARG 18 1HH1 ARG 18 13.363 2.883 -1.060 159 2HH2 ARG 18 2HH1 ARG 18 14.248 3.751 0.149 160 H LEU 19 H LEU 19 5.356 5.346 -0.900 161 HA LEU 19 HA LEU 19 6.023 6.705 -3.154 162 1HB LEU 19 2HB LEU 19 3.226 6.436 -2.080 163 2HB LEU 19 1HB LEU 19 3.711 6.568 -3.774 164 HG LEU 19 HG LEU 19 4.525 4.326 -1.900 165 1HD1 LEU 19 1HD1 LEU 19 2.112 4.362 -2.605 166 2HD1 LEU 19 2HD1 LEU 19 3.031 2.928 -3.057 167 3HD1 LEU 19 3HD1 LEU 19 2.681 4.169 -4.264 168 1HD2 LEU 19 1HD2 LEU 19 5.232 5.057 -4.714 169 2HD2 LEU 19 2HD2 LEU 19 5.135 3.350 -4.266 170 3HD2 LEU 19 3HD2 LEU 19 6.257 4.418 -3.419 171 HA PRO 20 HA PRO 20 5.691 10.965 -1.636 172 1HB PRO 20 2HB PRO 20 7.175 11.817 -3.953 173 2HB PRO 20 1HB PRO 20 7.743 11.685 -2.283 174 1HG PRO 20 2HG PRO 20 8.573 10.112 -4.404 175 2HG PRO 20 1HG PRO 20 8.785 9.733 -2.686 176 1HD PRO 20 2HD PRO 20 6.796 8.658 -4.630 177 2HD PRO 20 1HD PRO 20 7.547 7.881 -3.217 178 H ASN 21 H ASN 21 4.575 9.523 -4.560 179 HA ASN 21 HA ASN 21 3.305 12.037 -5.448 180 1HB ASN 21 2HB ASN 21 4.043 9.503 -6.829 181 2HB ASN 21 1HB ASN 21 2.841 10.567 -7.534 182 1HD2 ASN 21 1HD2 ASN 21 5.899 9.905 -8.083 183 2HD2 ASN 21 2HD2 ASN 21 6.554 11.447 -8.343 184 H LEU 22 H LEU 22 2.253 10.553 -3.212 185 HA LEU 22 HA LEU 22 -0.449 10.066 -4.275 186 1HB LEU 22 2HB LEU 22 1.045 8.364 -2.276 187 2HB LEU 22 1HB LEU 22 -0.710 8.285 -2.502 188 HG LEU 22 HG LEU 22 1.177 7.997 -4.839 189 1HD1 LEU 22 1HD1 LEU 22 0.042 5.524 -3.741 190 2HD1 LEU 22 2HD1 LEU 22 1.227 6.281 -2.678 191 3HD1 LEU 22 3HD1 LEU 22 1.665 5.865 -4.334 192 1HD2 LEU 22 1HD2 LEU 22 -1.649 8.084 -4.445 193 2HD2 LEU 22 2HD2 LEU 22 -1.215 6.428 -4.890 194 3HD2 LEU 22 3HD2 LEU 22 -0.760 7.775 -5.948 195 H ASN 23 H ASN 23 -2.112 10.706 -2.978 196 HA ASN 23 HA ASN 23 -1.395 12.622 -0.882 197 1HB ASN 23 2HB ASN 23 -3.990 12.770 -0.757 198 2HB ASN 23 1HB ASN 23 -3.191 13.433 -2.178 199 1HD2 ASN 23 1HD2 ASN 23 -3.377 12.239 -4.210 200 2HD2 ASN 23 2HD2 ASN 23 -4.540 11.018 -4.403 201 H SER 24 H SER 24 -2.274 12.336 1.295 202 HA SER 24 HA SER 24 -1.624 9.899 2.385 203 1HB SER 24 2HB SER 24 -2.939 10.538 4.357 204 2HB SER 24 1HB SER 24 -1.884 11.830 3.782 205 HG SER 24 HG SER 24 -4.669 11.527 3.292 206 H LEU 25 H LEU 25 -4.733 10.914 1.090 207 HA LEU 25 HA LEU 25 -6.269 8.775 2.096 208 1HB LEU 25 2HB LEU 25 -6.649 10.197 -0.534 209 2HB LEU 25 1HB LEU 25 -7.858 9.327 0.392 210 HG LEU 25 HG LEU 25 -7.292 11.029 2.291 211 1HD1 LEU 25 1HD1 LEU 25 -5.589 12.431 1.659 212 2HD1 LEU 25 2HD1 LEU 25 -6.876 13.288 0.816 213 3HD1 LEU 25 3HD1 LEU 25 -5.859 12.147 -0.059 214 1HD2 LEU 25 1HD2 LEU 25 -8.843 11.432 -0.238 215 2HD2 LEU 25 2HD2 LEU 25 -8.826 12.715 0.976 216 3HD2 LEU 25 3HD2 LEU 25 -9.445 11.113 1.389 217 H GLN 26 H GLN 26 -4.564 9.179 -1.020 218 HA GLN 26 HA GLN 26 -5.252 6.641 -2.010 219 1HB GLN 26 2HB GLN 26 -3.032 8.528 -2.578 220 2HB GLN 26 1HB GLN 26 -3.110 6.973 -3.365 221 1HG GLN 26 2HG GLN 26 -5.433 8.902 -3.313 222 2HG GLN 26 1HG GLN 26 -4.226 8.918 -4.606 223 1HE2 GLN 26 1HE2 GLN 26 -3.816 6.439 -5.427 224 2HE2 GLN 26 2HE2 GLN 26 -5.248 5.596 -5.772 225 H VAL 27 H VAL 27 -2.520 7.907 -0.275 226 HA VAL 27 HA VAL 27 -0.908 5.653 -0.114 227 HB VAL 27 HB VAL 27 -1.389 8.077 1.614 228 1HG1 VAL 27 1HG1 VAL 27 -0.533 6.923 3.342 229 2HG1 VAL 27 2HG1 VAL 27 0.998 7.250 2.524 230 3HG1 VAL 27 3HG1 VAL 27 0.199 5.691 2.304 231 1HG2 VAL 27 1HG2 VAL 27 0.679 7.195 -0.378 232 2HG2 VAL 27 2HG2 VAL 27 1.091 8.397 0.842 233 3HG2 VAL 27 3HG2 VAL 27 -0.214 8.713 -0.299 234 H VAL 28 H VAL 28 -3.520 6.846 1.876 235 HA VAL 28 HA VAL 28 -3.480 4.647 3.705 236 HB VAL 28 HB VAL 28 -5.542 6.803 3.364 237 1HG1 VAL 28 1HG1 VAL 28 -6.115 6.086 5.716 238 2HG1 VAL 28 2HG1 VAL 28 -4.986 4.739 5.535 239 3HG1 VAL 28 3HG1 VAL 28 -6.442 4.817 4.533 240 1HG2 VAL 28 1HG2 VAL 28 -2.897 6.969 4.134 241 2HG2 VAL 28 2HG2 VAL 28 -3.703 6.686 5.677 242 3HG2 VAL 28 3HG2 VAL 28 -4.165 8.074 4.685 243 H ALA 29 H ALA 29 -5.184 5.455 0.842 244 HA ALA 29 HA ALA 29 -7.334 3.700 0.824 245 1HB ALA 29 1HB ALA 29 -6.580 5.486 -0.904 246 2HB ALA 29 2HB ALA 29 -7.296 3.999 -1.525 247 3HB ALA 29 3HB ALA 29 -5.541 4.214 -1.561 248 H PHE 30 H PHE 30 -3.971 3.359 0.051 249 HA PHE 30 HA PHE 30 -4.084 0.703 -0.844 250 1HB PHE 30 2HB PHE 30 -2.027 2.662 -0.025 251 2HB PHE 30 1HB PHE 30 -1.589 0.979 -0.216 252 HD1 PHE 30 1HD PHE 30 -2.001 4.014 -1.849 253 HD2 PHE 30 2HD PHE 30 -2.558 -0.181 -2.392 254 HE1 PHE 30 1HE PHE 30 -2.160 4.380 -4.233 255 HE2 PHE 30 2HE PHE 30 -2.624 0.151 -4.834 256 HZ PHE 30 HZ PHE 30 -2.453 2.439 -5.784 257 H ILE 31 H ILE 31 -3.399 2.325 2.270 258 HA ILE 31 HA ILE 31 -2.546 0.014 3.656 259 HB ILE 31 HB ILE 31 -4.362 2.183 4.778 260 1HG1 ILE 31 2HG1 ILE 31 -1.344 1.991 4.964 261 2HG1 ILE 31 1HG1 ILE 31 -2.194 3.048 3.836 262 1HG2 ILE 31 1HG2 ILE 31 -3.190 1.450 6.939 263 2HG2 ILE 31 2HG2 ILE 31 -2.648 0.033 6.043 264 3HG2 ILE 31 3HG2 ILE 31 -4.375 0.322 6.274 265 1HD1 ILE 31 1HD1 ILE 31 -2.559 4.564 5.466 266 2HD1 ILE 31 2HD1 ILE 31 -1.592 3.577 6.558 267 3HD1 ILE 31 3HD1 ILE 31 -3.338 3.347 6.466 268 H ASN 32 H ASN 32 -5.652 1.329 2.769 269 HA ASN 32 HA ASN 32 -7.350 -0.474 4.141 270 1HB ASN 32 2HB ASN 32 -7.706 1.784 2.666 271 2HB ASN 32 1HB ASN 32 -8.200 0.568 1.495 272 1HD2 ASN 32 1HD2 ASN 32 -8.885 1.756 4.797 273 2HD2 ASN 32 2HD2 ASN 32 -10.477 1.171 4.843 274 H SER 33 H SER 33 -6.031 -0.525 0.836 275 HA SER 33 HA SER 33 -7.363 -2.831 -0.019 276 1HB SER 33 2HB SER 33 -4.643 -1.893 -0.908 277 2HB SER 33 1HB SER 33 -5.802 -2.858 -1.818 278 HG SER 33 HG SER 33 -6.278 -0.233 -0.847 279 H LEU 34 H LEU 34 -4.304 -2.418 1.712 280 HA LEU 34 HA LEU 34 -3.333 -5.065 1.480 281 1HB LEU 34 2HB LEU 34 -2.973 -3.692 4.118 282 2HB LEU 34 1HB LEU 34 -1.828 -4.636 3.180 283 HG LEU 34 HG LEU 34 -2.719 -1.810 2.643 284 1HD1 LEU 34 1HD1 LEU 34 -1.098 -1.715 4.329 285 2HD1 LEU 34 2HD1 LEU 34 -0.149 -1.518 2.853 286 3HD1 LEU 34 3HD1 LEU 34 -0.199 -3.080 3.665 287 1HD2 LEU 34 1HD2 LEU 34 -0.642 -2.194 0.961 288 2HD2 LEU 34 2HD2 LEU 34 -2.321 -2.421 0.470 289 3HD2 LEU 34 3HD2 LEU 34 -1.346 -3.809 0.939 290 H ARG 35 H ARG 35 -5.426 -3.610 3.950 291 HA ARG 35 HA ARG 35 -5.759 -6.054 5.406 292 1HB ARG 35 2HB ARG 35 -6.779 -4.761 6.958 293 2HB ARG 35 1HB ARG 35 -6.099 -3.447 6.012 294 1HG ARG 35 2HG ARG 35 -8.271 -3.388 4.706 295 2HG ARG 35 1HG ARG 35 -8.928 -4.520 5.887 296 1HD ARG 35 2HD ARG 35 -8.124 -2.817 7.664 297 2HD ARG 35 1HD ARG 35 -7.983 -1.682 6.323 298 HE ARG 35 HE ARG 35 -10.487 -2.898 7.313 299 1HH1 ARG 35 1HH2 ARG 35 -10.726 -2.414 4.407 300 2HH1 ARG 35 2HH2 ARG 35 -11.295 -0.780 4.327 301 1HH2 ARG 35 1HH1 ARG 35 -10.405 -0.036 7.589 302 2HH2 ARG 35 2HH1 ARG 35 -11.118 0.565 6.130 303 H ASP 36 H ASP 36 -7.507 -4.429 2.855 304 HA ASP 36 HA ASP 36 -9.841 -6.077 2.921 305 1HB ASP 36 2HB ASP 36 -8.610 -4.398 0.709 306 2HB ASP 36 1HB ASP 36 -10.195 -5.161 0.613 307 H ASP 37 H ASP 37 -6.623 -6.366 1.789 308 HA ASP 37 HA ASP 37 -6.920 -9.130 1.104 309 1HB ASP 37 2HB ASP 37 -7.852 -7.865 -0.917 310 2HB ASP 37 1HB ASP 37 -6.205 -7.323 -1.202 311 HA PRO 38 HA PRO 38 -2.705 -7.952 2.435 312 1HB PRO 38 2HB PRO 38 -2.346 -10.633 3.418 313 2HB PRO 38 1HB PRO 38 -2.513 -9.128 4.337 314 1HG PRO 38 2HG PRO 38 -4.370 -11.186 4.202 315 2HG PRO 38 1HG PRO 38 -4.638 -9.550 4.808 316 1HD PRO 38 2HD PRO 38 -5.507 -10.753 2.253 317 2HD PRO 38 1HD PRO 38 -6.175 -9.363 3.137 318 H SER 39 H SER 39 -3.757 -10.834 0.701 319 HA SER 39 HA SER 39 -1.241 -11.699 -0.258 320 1HB SER 39 2HB SER 39 -3.361 -13.047 -0.341 321 2HB SER 39 1HB SER 39 -3.929 -11.991 -1.631 322 HG SER 39 HG SER 39 -2.076 -12.607 -2.828 323 H GLN 40 H GLN 40 -3.540 -9.280 -1.262 324 HA GLN 40 HA GLN 40 -2.141 -8.715 -3.730 325 1HB GLN 40 2HB GLN 40 -4.585 -7.551 -2.419 326 2HB GLN 40 1HB GLN 40 -3.874 -6.845 -3.868 327 1HG GLN 40 2HG GLN 40 -4.114 -8.988 -5.053 328 2HG GLN 40 1HG GLN 40 -4.800 -9.725 -3.610 329 1HE2 GLN 40 1HE2 GLN 40 -6.071 -6.710 -3.419 330 2HE2 GLN 40 2HE2 GLN 40 -7.481 -6.918 -4.341 331 H SER 41 H SER 41 -1.565 -7.928 -0.543 332 HA SER 41 HA SER 41 -1.027 -5.179 -0.535 333 1HB SER 41 2HB SER 41 0.461 -7.419 0.871 334 2HB SER 41 1HB SER 41 0.674 -5.716 1.234 335 HG SER 41 HG SER 41 -1.918 -6.743 1.179 336 H ALA 42 H ALA 42 0.647 -7.885 -1.865 337 HA ALA 42 HA ALA 42 3.108 -6.725 -2.570 338 1HB ALA 42 1HB ALA 42 1.600 -8.926 -3.972 339 2HB ALA 42 2HB ALA 42 2.547 -9.174 -2.497 340 3HB ALA 42 3HB ALA 42 3.349 -8.666 -3.986 341 H ASN 43 H ASN 43 0.051 -7.123 -4.234 342 HA ASN 43 HA ASN 43 0.837 -6.077 -6.775 343 1HB ASN 43 2HB ASN 43 -1.733 -6.630 -5.345 344 2HB ASN 43 1HB ASN 43 -1.702 -5.948 -6.969 345 1HD2 ASN 43 1HD2 ASN 43 -0.198 -7.311 -8.552 346 2HD2 ASN 43 2HD2 ASN 43 -0.330 -8.998 -8.414 347 H LEU 44 H LEU 44 -0.739 -4.934 -3.938 348 HA LEU 44 HA LEU 44 -1.766 -2.552 -4.864 349 1HB LEU 44 2HB LEU 44 -0.999 -3.481 -2.146 350 2HB LEU 44 1HB LEU 44 -1.861 -1.978 -2.419 351 HG LEU 44 HG LEU 44 -2.802 -4.547 -3.669 352 1HD1 LEU 44 1HD1 LEU 44 -4.512 -4.555 -1.750 353 2HD1 LEU 44 2HD1 LEU 44 -3.337 -3.574 -0.878 354 3HD1 LEU 44 3HD1 LEU 44 -2.910 -5.189 -1.423 355 1HD2 LEU 44 1HD2 LEU 44 -3.665 -2.498 -4.575 356 2HD2 LEU 44 2HD2 LEU 44 -4.115 -1.936 -2.956 357 3HD2 LEU 44 3HD2 LEU 44 -4.939 -3.322 -3.676 358 H LEU 45 H LEU 45 1.460 -3.083 -3.453 359 HA LEU 45 HA LEU 45 1.953 -0.237 -3.561 360 1HB LEU 45 2HB LEU 45 4.491 -1.519 -3.946 361 2HB LEU 45 1HB LEU 45 3.943 -0.554 -2.594 362 HG LEU 45 HG LEU 45 4.712 -2.696 -1.832 363 1HD1 LEU 45 1HD1 LEU 45 2.702 -3.460 -0.645 364 2HD1 LEU 45 2HD1 LEU 45 1.706 -2.473 -1.702 365 3HD1 LEU 45 3HD1 LEU 45 2.864 -1.713 -0.630 366 1HD2 LEU 45 1HD2 LEU 45 4.291 -4.646 -2.880 367 2HD2 LEU 45 2HD2 LEU 45 3.833 -3.607 -4.235 368 3HD2 LEU 45 3HD2 LEU 45 2.606 -4.245 -3.154 369 H ALA 46 H ALA 46 2.127 -2.953 -5.660 370 HA ALA 46 HA ALA 46 3.647 -1.888 -7.790 371 1HB ALA 46 1HB ALA 46 2.308 -4.246 -7.337 372 2HB ALA 46 2HB ALA 46 2.968 -3.768 -8.903 373 3HB ALA 46 3HB ALA 46 1.263 -3.468 -8.531 374 H GLU 47 H GLU 47 0.242 -1.831 -6.939 375 HA GLU 47 HA GLU 47 -0.687 -0.243 -9.099 376 1HB GLU 47 2HB GLU 47 -1.629 -1.276 -6.466 377 2HB GLU 47 1HB GLU 47 -2.487 0.123 -7.136 378 1HG GLU 47 2HG GLU 47 -3.679 -1.411 -8.316 379 2HG GLU 47 1HG GLU 47 -2.257 -1.486 -9.352 380 H ALA 48 H ALA 48 0.194 0.314 -5.782 381 HA ALA 48 HA ALA 48 -0.293 3.047 -5.578 382 1HB ALA 48 1HB ALA 48 0.319 1.277 -3.791 383 2HB ALA 48 2HB ALA 48 0.842 2.941 -3.572 384 3HB ALA 48 3HB ALA 48 1.975 1.728 -4.175 385 H LYS 49 H LYS 49 2.626 1.283 -6.454 386 HA LYS 49 HA LYS 49 4.268 3.573 -6.879 387 1HB LYS 49 2HB LYS 49 4.402 0.730 -7.924 388 2HB LYS 49 1HB LYS 49 5.622 1.946 -8.307 389 1HG LYS 49 2HG LYS 49 6.159 2.241 -5.960 390 2HG LYS 49 1HG LYS 49 4.832 1.195 -5.470 391 1HD LYS 49 2HD LYS 49 5.974 -0.657 -6.821 392 2HD LYS 49 1HD LYS 49 7.370 0.416 -6.929 393 1HE LYS 49 2HE LYS 49 6.116 -0.240 -4.259 394 2HE LYS 49 1HE LYS 49 7.319 -1.304 -4.984 395 1HZ LYS 49 1HZ LYS 49 8.814 0.624 -5.140 396 2HZ LYS 49 2HZ LYS 49 8.390 0.257 -3.535 397 3HZ LYS 49 3HZ LYS 49 7.664 1.572 -4.331 398 H LYS 50 H LYS 50 1.971 1.742 -8.835 399 HA LYS 50 HA LYS 50 2.516 3.134 -11.296 400 1HB LYS 50 2HB LYS 50 0.320 1.308 -10.333 401 2HB LYS 50 1HB LYS 50 0.133 2.204 -11.842 402 1HG LYS 50 2HG LYS 50 2.309 1.248 -12.626 403 2HG LYS 50 1HG LYS 50 2.377 0.276 -11.161 404 1HD LYS 50 2HD LYS 50 -0.214 -0.096 -12.325 405 2HD LYS 50 1HD LYS 50 0.979 -0.283 -13.607 406 1HE LYS 50 2HE LYS 50 0.891 -2.449 -12.751 407 2HE LYS 50 1HE LYS 50 2.232 -1.777 -11.825 408 1HZ LYS 50 1HZ LYS 50 -0.587 -2.099 -10.963 409 2HZ LYS 50 2HZ LYS 50 0.538 -1.155 -10.112 410 3HZ LYS 50 3HZ LYS 50 0.793 -2.823 -10.293 411 H LEU 51 H LEU 51 0.476 3.560 -8.512 412 HA LEU 51 HA LEU 51 -1.241 5.606 -9.496 413 1HB LEU 51 2HB LEU 51 -0.565 4.375 -6.908 414 2HB LEU 51 1HB LEU 51 -1.101 6.026 -6.821 415 HG LEU 51 HG LEU 51 -2.925 4.373 -6.561 416 1HD1 LEU 51 1HD1 LEU 51 -3.188 6.093 -9.034 417 2HD1 LEU 51 2HD1 LEU 51 -3.256 6.707 -7.374 418 3HD1 LEU 51 3HD1 LEU 51 -4.484 5.571 -7.955 419 1HD2 LEU 51 1HD2 LEU 51 -3.648 3.428 -8.952 420 2HD2 LEU 51 2HD2 LEU 51 -2.521 2.536 -7.925 421 3HD2 LEU 51 3HD2 LEU 51 -1.913 3.522 -9.254 422 H ASN 52 H ASN 52 1.755 5.497 -7.671 423 HA ASN 52 HA ASN 52 2.060 8.240 -7.174 424 1HB ASN 52 2HB ASN 52 3.585 7.102 -5.927 425 2HB ASN 52 1HB ASN 52 3.656 5.778 -7.073 426 1HD2 ASN 52 1HD2 ASN 52 6.063 5.976 -6.344 427 2HD2 ASN 52 2HD2 ASN 52 7.052 7.014 -7.252 428 H ASP 53 H ASP 53 3.224 6.142 -9.722 429 HA ASP 53 HA ASP 53 4.487 8.143 -11.217 430 1HB ASP 53 2HB ASP 53 3.433 5.429 -12.023 431 2HB ASP 53 1HB ASP 53 4.506 6.418 -13.012 432 H ALA 54 H ALA 54 1.266 6.762 -11.193 433 HA ALA 54 HA ALA 54 0.341 7.922 -13.654 434 1HB ALA 54 1HB ALA 54 -1.103 6.830 -11.259 435 2HB ALA 54 2HB ALA 54 -0.690 5.947 -12.734 436 3HB ALA 54 3HB ALA 54 -1.882 7.245 -12.785 437 H GLN 55 H GLN 55 -0.057 8.842 -10.249 438 HA GLN 55 HA GLN 55 -1.840 11.019 -10.897 439 1HB GLN 55 2HB GLN 55 -0.486 10.137 -8.348 440 2HB GLN 55 1HB GLN 55 -1.558 11.532 -8.446 441 1HG GLN 55 2HG GLN 55 -3.373 10.073 -9.282 442 2HG GLN 55 1HG GLN 55 -2.301 8.678 -9.153 443 1HE2 GLN 55 1HE2 GLN 55 -1.363 10.579 -6.615 444 2HE2 GLN 55 2HE2 GLN 55 -2.379 9.935 -5.412 445 H ALA 56 H ALA 56 1.422 10.677 -9.615 446 HA ALA 56 HA ALA 56 3.078 12.286 -9.242 447 1HB ALA 56 1HB ALA 56 3.782 13.387 -11.303 448 2HB ALA 56 2HB ALA 56 2.207 13.080 -12.035 449 3HB ALA 56 3HB ALA 56 3.282 11.734 -11.659 450 HA PRO 57 HA PRO 57 -0.537 15.170 -8.028 451 1HB PRO 57 2HB PRO 57 1.030 15.709 -5.658 452 2HB PRO 57 1HB PRO 57 -0.519 14.860 -5.798 453 1HG PRO 57 2HG PRO 57 2.201 13.784 -5.633 454 2HG PRO 57 1HG PRO 57 0.653 13.022 -5.231 455 1HD PRO 57 2HD PRO 57 2.061 12.295 -7.413 456 2HD PRO 57 1HD PRO 57 0.289 12.298 -7.421 457 H LYS 58 H LYS 58 -0.160 16.750 -9.515 458 HA LYS 58 HA LYS 58 2.195 18.477 -9.342 459 1HB LYS 58 2HB LYS 58 -0.121 18.273 -11.270 460 2HB LYS 58 1HB LYS 58 1.064 19.574 -11.354 461 1HG LYS 58 2HG LYS 58 2.601 18.230 -12.322 462 2HG LYS 58 1HG LYS 58 2.379 16.987 -11.096 463 1HD LYS 58 2HD LYS 58 1.791 16.066 -13.276 464 2HD LYS 58 1HD LYS 58 0.332 16.209 -12.299 465 1HE LYS 58 2HE LYS 58 0.799 18.665 -13.778 466 2HE LYS 58 1HE LYS 58 0.760 17.284 -14.872 467 1HZ LYS 58 1HZ LYS 58 -1.295 17.849 -12.806 468 2HZ LYS 58 2HZ LYS 58 -1.346 16.624 -13.982 469 3HZ LYS 58 3HZ LYS 58 -1.447 18.255 -14.446 Start of MODEL 29 1 1H VAL 1 1HT VAL 1 -1.431 -8.956 14.779 2 2H VAL 1 2HT VAL 1 -2.332 -10.315 15.254 3 3H VAL 1 3HT VAL 1 -1.640 -10.251 13.703 4 HA VAL 1 HA VAL 1 0.590 -10.088 14.865 5 HB VAL 1 HB VAL 1 -1.123 -11.176 17.134 6 1HG1 VAL 1 1HG1 VAL 1 1.055 -11.028 18.394 7 2HG1 VAL 1 2HG1 VAL 1 1.861 -10.677 16.864 8 3HG1 VAL 1 3HG1 VAL 1 1.063 -12.231 17.104 9 1HG2 VAL 1 1HG2 VAL 1 -0.322 -9.099 18.322 10 2HG2 VAL 1 2HG2 VAL 1 -1.417 -8.768 16.983 11 3HG2 VAL 1 3HG2 VAL 1 0.318 -8.523 16.783 12 H ASP 2 H ASP 2 -1.908 -12.500 15.709 13 HA ASP 2 HA ASP 2 -0.412 -14.795 15.060 14 1HB ASP 2 2HB ASP 2 -2.570 -15.958 15.071 15 2HB ASP 2 1HB ASP 2 -2.491 -14.817 16.412 16 H ASN 3 H ASN 3 -2.474 -12.695 13.172 17 HA ASN 3 HA ASN 3 -2.465 -14.293 10.778 18 1HB ASN 3 2HB ASN 3 -3.333 -12.067 9.794 19 2HB ASN 3 1HB ASN 3 -4.334 -12.873 10.999 20 1HD2 ASN 3 1HD2 ASN 3 -4.729 -11.763 12.973 21 2HD2 ASN 3 2HD2 ASN 3 -4.073 -10.240 13.336 22 H LYS 4 H LYS 4 -1.402 -13.770 8.812 23 HA LYS 4 HA LYS 4 1.247 -12.657 9.194 24 1HB LYS 4 2HB LYS 4 0.078 -13.749 6.637 25 2HB LYS 4 1HB LYS 4 1.782 -13.558 7.038 26 1HG LYS 4 2HG LYS 4 -0.137 -15.426 8.476 27 2HG LYS 4 1HG LYS 4 1.037 -15.921 7.259 28 1HD LYS 4 2HD LYS 4 2.881 -15.112 8.684 29 2HD LYS 4 1HD LYS 4 1.719 -14.583 9.902 30 1HE LYS 4 2HE LYS 4 1.617 -17.433 8.979 31 2HE LYS 4 1HE LYS 4 2.891 -16.953 10.100 32 1HZ LYS 4 1HZ LYS 4 0.606 -17.737 11.000 33 2HZ LYS 4 2HZ LYS 4 0.116 -16.152 10.641 34 3HZ LYS 4 3HZ LYS 4 1.390 -16.423 11.731 35 H PHE 5 H PHE 5 -1.576 -11.278 8.765 36 HA PHE 5 HA PHE 5 -1.448 -9.612 6.532 37 1HB PHE 5 2HB PHE 5 -2.680 -9.369 9.251 38 2HB PHE 5 1HB PHE 5 -2.693 -8.006 8.148 39 HD1 PHE 5 1HD PHE 5 -3.033 -11.680 7.435 40 HD2 PHE 5 2HD PHE 5 -4.893 -7.792 7.457 41 HE1 PHE 5 1HE PHE 5 -5.053 -12.610 6.298 42 HE2 PHE 5 2HE PHE 5 -6.884 -8.723 6.329 43 HZ PHE 5 HZ PHE 5 -6.964 -11.112 5.745 44 H ASN 6 H ASN 6 -0.563 -8.814 9.895 45 HA ASN 6 HA ASN 6 0.290 -6.234 9.454 46 1HB ASN 6 2HB ASN 6 1.487 -8.179 11.419 47 2HB ASN 6 1HB ASN 6 1.536 -6.422 11.519 48 1HD2 ASN 6 1HD2 ASN 6 -1.026 -5.599 11.034 49 2HD2 ASN 6 2HD2 ASN 6 -2.119 -6.308 12.122 50 H LYS 7 H LYS 7 2.347 -9.165 9.403 51 HA LYS 7 HA LYS 7 4.743 -7.795 8.847 52 1HB LYS 7 2HB LYS 7 4.928 -10.006 9.611 53 2HB LYS 7 1HB LYS 7 3.833 -10.625 8.382 54 1HG LYS 7 2HG LYS 7 6.187 -11.203 7.867 55 2HG LYS 7 1HG LYS 7 5.501 -10.162 6.629 56 1HD LYS 7 2HD LYS 7 7.711 -9.333 7.113 57 2HD LYS 7 1HD LYS 7 6.576 -8.191 7.816 58 1HE LYS 7 2HE LYS 7 8.457 -8.729 9.344 59 2HE LYS 7 1HE LYS 7 6.896 -9.178 10.027 60 1HZ LYS 7 1HZ LYS 7 8.818 -10.858 10.120 61 2HZ LYS 7 2HZ LYS 7 8.474 -11.129 8.479 62 3HZ LYS 7 3HZ LYS 7 7.284 -11.414 9.657 63 H GLU 8 H GLU 8 2.281 -9.178 6.707 64 HA GLU 8 HA GLU 8 3.689 -8.575 4.281 65 1HB GLU 8 2HB GLU 8 1.932 -10.325 4.538 66 2HB GLU 8 1HB GLU 8 0.732 -9.061 4.789 67 1HG GLU 8 2HG GLU 8 0.761 -8.396 2.600 68 2HG GLU 8 1HG GLU 8 2.440 -8.865 2.350 69 H ARG 9 H ARG 9 1.381 -6.943 6.316 70 HA ARG 9 HA ARG 9 0.857 -4.779 4.564 71 1HB ARG 9 2HB ARG 9 0.183 -5.314 7.448 72 2HB ARG 9 1HB ARG 9 -0.244 -3.806 6.640 73 1HG ARG 9 2HG ARG 9 -1.478 -5.030 4.929 74 2HG ARG 9 1HG ARG 9 -1.006 -6.564 5.614 75 1HD ARG 9 2HD ARG 9 -3.086 -6.359 6.563 76 2HD ARG 9 1HD ARG 9 -2.146 -5.518 7.794 77 HE ARG 9 HE ARG 9 -4.063 -4.343 5.970 78 1HH1 ARG 9 1HH1 ARG 9 -3.808 -3.386 8.761 79 2HH1 ARG 9 2HH1 ARG 9 -2.975 -1.879 8.583 80 1HH2 ARG 9 1HH2 ARG 9 -1.884 -2.563 5.370 81 2HH2 ARG 9 2HH2 ARG 9 -1.882 -1.417 6.666 82 H VAL 10 H VAL 10 3.170 -5.316 7.181 83 HA VAL 10 HA VAL 10 3.894 -2.616 7.646 84 HB VAL 10 HB VAL 10 5.807 -4.967 7.775 85 1HG1 VAL 10 1HG1 VAL 10 7.141 -3.588 9.188 86 2HG1 VAL 10 2HG1 VAL 10 5.843 -2.415 9.405 87 3HG1 VAL 10 3HG1 VAL 10 6.664 -2.540 7.847 88 1HG2 VAL 10 1HG2 VAL 10 4.582 -5.788 9.457 89 2HG2 VAL 10 2HG2 VAL 10 3.517 -4.372 9.475 90 3HG2 VAL 10 3HG2 VAL 10 5.025 -4.354 10.384 91 H ILE 11 H ILE 11 5.162 -5.150 5.677 92 HA ILE 11 HA ILE 11 7.241 -3.790 4.428 93 HB ILE 11 HB ILE 11 5.526 -6.114 3.525 94 1HG1 ILE 11 2HG1 ILE 11 8.248 -6.147 4.870 95 2HG1 ILE 11 1HG1 ILE 11 6.737 -6.283 5.774 96 1HG2 ILE 11 1HG2 ILE 11 6.832 -5.055 1.682 97 2HG2 ILE 11 2HG2 ILE 11 7.351 -6.706 2.052 98 3HG2 ILE 11 3HG2 ILE 11 8.306 -5.330 2.614 99 1HD1 ILE 11 1HD1 ILE 11 7.852 -8.492 5.134 100 2HD1 ILE 11 2HD1 ILE 11 7.431 -8.117 3.459 101 3HD1 ILE 11 3HD1 ILE 11 6.157 -8.331 4.665 102 H ALA 12 H ALA 12 3.902 -4.369 3.534 103 HA ALA 12 HA ALA 12 3.975 -3.015 1.041 104 1HB ALA 12 1HB ALA 12 2.362 -4.616 1.217 105 2HB ALA 12 2HB ALA 12 1.423 -3.145 1.471 106 3HB ALA 12 3HB ALA 12 1.906 -4.141 2.861 107 H ILE 13 H ILE 13 2.649 -2.049 4.244 108 HA ILE 13 HA ILE 13 1.673 0.457 3.400 109 HB ILE 13 HB ILE 13 1.105 -0.659 5.588 110 1HG1 ILE 13 2HG1 ILE 13 1.831 2.166 5.160 111 2HG1 ILE 13 1HG1 ILE 13 0.348 1.471 5.792 112 1HG2 ILE 13 1HG2 ILE 13 3.748 0.424 6.595 113 2HG2 ILE 13 2HG2 ILE 13 3.564 -1.226 6.041 114 3HG2 ILE 13 3HG2 ILE 13 2.628 -0.668 7.412 115 1HD1 ILE 13 1HD1 ILE 13 1.332 2.759 7.561 116 2HD1 ILE 13 2HD1 ILE 13 2.909 2.011 7.295 117 3HD1 ILE 13 3HD1 ILE 13 1.581 1.057 7.958 118 H GLY 14 H GLY 14 4.744 -0.732 4.510 119 1HA GLY 14 2HA GLY 14 6.101 1.722 4.744 120 2HA GLY 14 1HA GLY 14 6.846 0.125 4.569 121 H GLU 15 H GLU 15 5.553 -0.612 2.095 122 HA GLU 15 HA GLU 15 7.309 0.628 0.221 123 1HB GLU 15 2HB GLU 15 4.890 -1.155 -0.106 124 2HB GLU 15 1HB GLU 15 5.871 -0.614 -1.461 125 1HG GLU 15 2HG GLU 15 7.448 -1.783 0.727 126 2HG GLU 15 1HG GLU 15 6.289 -2.912 0.011 127 H ILE 16 H ILE 16 3.838 0.747 0.811 128 HA ILE 16 HA ILE 16 3.286 2.566 -1.246 129 HB ILE 16 HB ILE 16 1.729 1.386 0.995 130 1HG1 ILE 16 2HG1 ILE 16 1.377 1.354 -2.001 131 2HG1 ILE 16 1HG1 ILE 16 2.461 0.257 -1.172 132 1HG2 ILE 16 1HG2 ILE 16 -0.122 2.684 0.711 133 2HG2 ILE 16 2HG2 ILE 16 0.178 2.939 -1.020 134 3HG2 ILE 16 3HG2 ILE 16 1.021 3.918 0.183 135 1HD1 ILE 16 1HD1 ILE 16 0.022 0.139 0.221 136 2HD1 ILE 16 2HD1 ILE 16 0.718 -1.093 -0.823 137 3HD1 ILE 16 3HD1 ILE 16 -0.377 0.109 -1.498 138 H MET 17 H MET 17 3.860 3.024 2.188 139 HA MET 17 HA MET 17 3.086 5.750 2.341 140 1HB MET 17 2HB MET 17 4.834 3.948 4.005 141 2HB MET 17 1HB MET 17 4.732 5.674 4.363 142 1HG MET 17 2HG MET 17 3.024 3.853 5.395 143 2HG MET 17 1HG MET 17 2.578 5.527 5.114 144 1HE MET 17 1HE MET 17 -0.737 4.472 3.904 145 2HE MET 17 2HE MET 17 0.292 5.471 4.928 146 3HE MET 17 3HE MET 17 0.080 3.770 5.307 147 H ARG 18 H ARG 18 5.927 4.163 1.188 148 HA ARG 18 HA ARG 18 7.805 6.278 1.332 149 1HB ARG 18 2HB ARG 18 8.381 3.903 0.995 150 2HB ARG 18 1HB ARG 18 7.593 3.936 -0.577 151 1HG ARG 18 2HG ARG 18 9.205 5.755 -1.261 152 2HG ARG 18 1HG ARG 18 10.063 5.477 0.258 153 1HD ARG 18 2HD ARG 18 9.497 3.347 -1.818 154 2HD ARG 18 1HD ARG 18 11.031 4.201 -1.665 155 HE ARG 18 HE ARG 18 11.357 3.107 0.469 156 1HH1 ARG 18 1HH2 ARG 18 10.195 1.122 -1.806 157 2HH1 ARG 18 2HH2 ARG 18 9.344 0.027 -0.770 158 1HH2 ARG 18 1HH1 ARG 18 9.570 2.075 2.013 159 2HH2 ARG 18 2HH1 ARG 18 8.991 0.566 1.390 160 H LEU 19 H LEU 19 5.369 5.328 -0.965 161 HA LEU 19 HA LEU 19 6.021 6.662 -3.257 162 1HB LEU 19 2HB LEU 19 3.246 6.394 -2.125 163 2HB LEU 19 1HB LEU 19 3.692 6.506 -3.828 164 HG LEU 19 HG LEU 19 4.538 4.277 -1.949 165 1HD1 LEU 19 1HD1 LEU 19 2.510 4.268 -4.189 166 2HD1 LEU 19 2HD1 LEU 19 2.147 4.152 -2.463 167 3HD1 LEU 19 3HD1 LEU 19 3.041 2.862 -3.259 168 1HD2 LEU 19 1HD2 LEU 19 6.227 4.322 -3.497 169 2HD2 LEU 19 2HD2 LEU 19 5.195 4.997 -4.772 170 3HD2 LEU 19 3HD2 LEU 19 5.068 3.289 -4.338 171 HA PRO 20 HA PRO 20 5.644 10.918 -1.692 172 1HB PRO 20 2HB PRO 20 7.109 11.827 -3.996 173 2HB PRO 20 1HB PRO 20 7.665 11.709 -2.322 174 1HG PRO 20 2HG PRO 20 8.537 10.167 -4.461 175 2HG PRO 20 1HG PRO 20 8.809 9.825 -2.742 176 1HD PRO 20 2HD PRO 20 6.899 8.583 -4.630 177 2HD PRO 20 1HD PRO 20 7.630 7.913 -3.165 178 H ASN 21 H ASN 21 4.344 9.435 -4.492 179 HA ASN 21 HA ASN 21 3.100 11.998 -5.333 180 1HB ASN 21 2HB ASN 21 3.578 9.516 -6.948 181 2HB ASN 21 1HB ASN 21 2.738 10.929 -7.532 182 1HD2 ASN 21 1HD2 ASN 21 5.390 9.741 -8.408 183 2HD2 ASN 21 2HD2 ASN 21 6.506 11.010 -8.253 184 H LEU 22 H LEU 22 2.150 10.308 -3.191 185 HA LEU 22 HA LEU 22 -0.607 9.923 -4.159 186 1HB LEU 22 2HB LEU 22 0.914 8.144 -2.237 187 2HB LEU 22 1HB LEU 22 -0.839 8.077 -2.471 188 HG LEU 22 HG LEU 22 1.098 7.798 -4.778 189 1HD1 LEU 22 1HD1 LEU 22 0.835 5.377 -4.533 190 2HD1 LEU 22 2HD1 LEU 22 -0.142 5.612 -3.083 191 3HD1 LEU 22 3HD1 LEU 22 1.557 6.065 -3.085 192 1HD2 LEU 22 1HD2 LEU 22 -1.286 6.311 -5.055 193 2HD2 LEU 22 2HD2 LEU 22 -0.832 7.775 -5.933 194 3HD2 LEU 22 3HD2 LEU 22 -1.778 7.894 -4.429 195 H ASN 23 H ASN 23 -2.177 10.775 -2.801 196 HA ASN 23 HA ASN 23 -1.175 12.484 -0.645 197 1HB ASN 23 2HB ASN 23 -3.644 13.035 -0.360 198 2HB ASN 23 1HB ASN 23 -2.941 13.489 -1.909 199 1HD2 ASN 23 1HD2 ASN 23 -4.368 13.026 -3.573 200 2HD2 ASN 23 2HD2 ASN 23 -5.384 11.668 -3.636 201 H SER 24 H SER 24 -2.163 12.263 1.551 202 HA SER 24 HA SER 24 -1.587 9.796 2.607 203 1HB SER 24 2HB SER 24 -2.937 10.443 4.569 204 2HB SER 24 1HB SER 24 -1.792 11.680 4.043 205 HG SER 24 HG SER 24 -4.418 11.886 4.327 206 H LEU 25 H LEU 25 -4.690 10.904 1.356 207 HA LEU 25 HA LEU 25 -6.253 8.746 2.299 208 1HB LEU 25 2HB LEU 25 -6.623 10.261 -0.284 209 2HB LEU 25 1HB LEU 25 -7.843 9.372 0.614 210 HG LEU 25 HG LEU 25 -7.280 11.001 2.568 211 1HD1 LEU 25 1HD1 LEU 25 -5.555 12.409 2.039 212 2HD1 LEU 25 2HD1 LEU 25 -6.791 13.300 1.155 213 3HD1 LEU 25 3HD1 LEU 25 -5.751 12.160 0.305 214 1HD2 LEU 25 1HD2 LEU 25 -8.773 11.539 0.027 215 2HD2 LEU 25 2HD2 LEU 25 -8.755 12.767 1.296 216 3HD2 LEU 25 3HD2 LEU 25 -9.414 11.163 1.628 217 H GLN 26 H GLN 26 -4.580 9.208 -0.829 218 HA GLN 26 HA GLN 26 -5.318 6.706 -1.869 219 1HB GLN 26 2HB GLN 26 -3.064 8.557 -2.439 220 2HB GLN 26 1HB GLN 26 -3.358 7.100 -3.351 221 1HG GLN 26 2HG GLN 26 -5.512 7.858 -4.067 222 2HG GLN 26 1HG GLN 26 -5.516 9.167 -2.890 223 1HE2 GLN 26 1HE2 GLN 26 -5.648 9.076 -5.961 224 2HE2 GLN 26 2HE2 GLN 26 -4.470 10.199 -6.447 225 H VAL 27 H VAL 27 -2.558 7.949 -0.156 226 HA VAL 27 HA VAL 27 -0.900 5.711 -0.103 227 HB VAL 27 HB VAL 27 -1.376 8.082 1.699 228 1HG1 VAL 27 1HG1 VAL 27 -0.527 6.843 3.388 229 2HG1 VAL 27 2HG1 VAL 27 0.997 7.282 2.608 230 3HG1 VAL 27 3HG1 VAL 27 0.273 5.704 2.297 231 1HG2 VAL 27 1HG2 VAL 27 -0.224 8.678 -0.286 232 2HG2 VAL 27 2HG2 VAL 27 0.781 7.232 -0.232 233 3HG2 VAL 27 3HG2 VAL 27 1.036 8.527 0.937 234 H VAL 28 H VAL 28 -3.494 6.825 1.951 235 HA VAL 28 HA VAL 28 -3.385 4.584 3.724 236 HB VAL 28 HB VAL 28 -5.511 6.682 3.489 237 1HG1 VAL 28 1HG1 VAL 28 -4.845 4.530 5.539 238 2HG1 VAL 28 2HG1 VAL 28 -6.308 4.579 4.540 239 3HG1 VAL 28 3HG1 VAL 28 -6.050 5.800 5.795 240 1HG2 VAL 28 1HG2 VAL 28 -3.639 6.522 5.779 241 2HG2 VAL 28 2HG2 VAL 28 -4.168 7.938 4.864 242 3HG2 VAL 28 3HG2 VAL 28 -2.863 6.914 4.242 243 H ALA 29 H ALA 29 -5.164 5.434 0.918 244 HA ALA 29 HA ALA 29 -7.271 3.629 0.913 245 1HB ALA 29 1HB ALA 29 -7.297 3.975 -1.418 246 2HB ALA 29 2HB ALA 29 -5.546 4.229 -1.491 247 3HB ALA 29 3HB ALA 29 -6.599 5.460 -0.775 248 H PHE 30 H PHE 30 -3.906 3.369 0.148 249 HA PHE 30 HA PHE 30 -4.002 0.731 -0.812 250 1HB PHE 30 2HB PHE 30 -1.930 2.713 -0.032 251 2HB PHE 30 1HB PHE 30 -1.498 1.037 -0.273 252 HD1 PHE 30 1HD PHE 30 -2.515 -0.115 -2.398 253 HD2 PHE 30 2HD PHE 30 -2.008 4.097 -1.883 254 HE1 PHE 30 1HE PHE 30 -2.651 0.207 -4.833 255 HE2 PHE 30 2HE PHE 30 -2.232 4.448 -4.285 256 HZ PHE 30 HZ PHE 30 -2.532 2.483 -5.803 257 H ILE 31 H ILE 31 -3.317 2.338 2.312 258 HA ILE 31 HA ILE 31 -2.410 0.033 3.681 259 HB ILE 31 HB ILE 31 -4.241 2.181 4.812 260 1HG1 ILE 31 2HG1 ILE 31 -1.227 2.024 4.858 261 2HG1 ILE 31 1HG1 ILE 31 -2.155 3.086 3.814 262 1HG2 ILE 31 1HG2 ILE 31 -4.066 0.142 6.216 263 2HG2 ILE 31 2HG2 ILE 31 -3.285 1.528 6.979 264 3HG2 ILE 31 3HG2 ILE 31 -2.307 0.292 6.189 265 1HD1 ILE 31 1HD1 ILE 31 -2.230 4.598 5.496 266 2HD1 ILE 31 2HD1 ILE 31 -1.451 3.461 6.594 267 3HD1 ILE 31 3HD1 ILE 31 -3.205 3.452 6.415 268 H ASN 32 H ASN 32 -5.543 1.355 2.920 269 HA ASN 32 HA ASN 32 -7.140 -0.525 4.307 270 1HB ASN 32 2HB ASN 32 -7.583 1.411 2.053 271 2HB ASN 32 1HB ASN 32 -8.881 0.356 2.604 272 1HD2 ASN 32 1HD2 ASN 32 -7.965 3.436 2.929 273 2HD2 ASN 32 2HD2 ASN 32 -8.358 3.728 4.553 274 H SER 33 H SER 33 -5.876 -0.471 0.979 275 HA SER 33 HA SER 33 -7.348 -2.715 0.095 276 1HB SER 33 2HB SER 33 -4.668 -1.735 -0.882 277 2HB SER 33 1HB SER 33 -5.808 -2.756 -1.755 278 HG SER 33 HG SER 33 -6.314 -0.122 -0.816 279 H LEU 34 H LEU 34 -4.252 -2.362 1.751 280 HA LEU 34 HA LEU 34 -3.281 -5.004 1.396 281 1HB LEU 34 2HB LEU 34 -2.806 -3.664 4.036 282 2HB LEU 34 1HB LEU 34 -1.710 -4.624 3.052 283 HG LEU 34 HG LEU 34 -2.566 -1.781 2.592 284 1HD1 LEU 34 1HD1 LEU 34 -0.822 -1.619 4.077 285 2HD1 LEU 34 2HD1 LEU 34 0.081 -1.674 2.565 286 3HD1 LEU 34 3HD1 LEU 34 -0.089 -3.131 3.542 287 1HD2 LEU 34 1HD2 LEU 34 -2.374 -2.416 0.386 288 2HD2 LEU 34 2HD2 LEU 34 -1.337 -3.785 0.768 289 3HD2 LEU 34 3HD2 LEU 34 -0.667 -2.156 0.732 290 H ARG 35 H ARG 35 -5.286 -3.632 3.985 291 HA ARG 35 HA ARG 35 -5.534 -6.110 5.403 292 1HB ARG 35 2HB ARG 35 -6.662 -4.891 6.980 293 2HB ARG 35 1HB ARG 35 -5.899 -3.562 6.120 294 1HG ARG 35 2HG ARG 35 -8.003 -3.434 4.690 295 2HG ARG 35 1HG ARG 35 -8.748 -4.535 5.842 296 1HD ARG 35 2HD ARG 35 -8.116 -2.899 7.664 297 2HD ARG 35 1HD ARG 35 -7.633 -1.772 6.396 298 HE ARG 35 HE ARG 35 -10.379 -2.654 6.992 299 1HH1 ARG 35 1HH2 ARG 35 -9.351 -2.076 4.030 300 2HH1 ARG 35 2HH2 ARG 35 -10.055 -0.511 3.805 301 1HH2 ARG 35 1HH1 ARG 35 -10.787 -0.065 7.157 302 2HH2 ARG 35 2HH1 ARG 35 -10.861 0.629 5.572 303 H ASP 36 H ASP 36 -7.366 -4.456 2.937 304 HA ASP 36 HA ASP 36 -9.659 -6.160 3.005 305 1HB ASP 36 2HB ASP 36 -8.536 -4.310 0.874 306 2HB ASP 36 1HB ASP 36 -10.081 -5.145 0.733 307 H ASP 37 H ASP 37 -6.459 -6.356 1.811 308 HA ASP 37 HA ASP 37 -6.749 -9.085 1.007 309 1HB ASP 37 2HB ASP 37 -7.746 -7.729 -0.937 310 2HB ASP 37 1HB ASP 37 -6.100 -7.206 -1.261 311 HA PRO 38 HA PRO 38 -2.475 -7.869 2.202 312 1HB PRO 38 2HB PRO 38 -2.147 -10.507 3.316 313 2HB PRO 38 1HB PRO 38 -2.232 -8.957 4.162 314 1HG PRO 38 2HG PRO 38 -4.141 -10.970 4.203 315 2HG PRO 38 1HG PRO 38 -4.345 -9.306 4.755 316 1HD PRO 38 2HD PRO 38 -5.372 -10.593 2.304 317 2HD PRO 38 1HD PRO 38 -5.945 -9.133 3.139 318 H SER 39 H SER 39 -3.708 -10.768 0.638 319 HA SER 39 HA SER 39 -1.277 -11.796 -0.374 320 1HB SER 39 2HB SER 39 -4.003 -11.960 -1.691 321 2HB SER 39 1HB SER 39 -2.642 -13.052 -1.925 322 HG SER 39 HG SER 39 -3.914 -12.585 0.571 323 H GLN 40 H GLN 40 -3.444 -9.248 -1.325 324 HA GLN 40 HA GLN 40 -2.002 -8.754 -3.805 325 1HB GLN 40 2HB GLN 40 -4.469 -7.496 -2.604 326 2HB GLN 40 1HB GLN 40 -3.730 -6.943 -4.104 327 1HG GLN 40 2HG GLN 40 -4.568 -9.817 -3.660 328 2HG GLN 40 1HG GLN 40 -5.639 -8.613 -4.370 329 1HE2 GLN 40 1HE2 GLN 40 -4.787 -7.519 -6.414 330 2HE2 GLN 40 2HE2 GLN 40 -3.769 -8.416 -7.434 331 H SER 41 H SER 41 -1.305 -8.110 -0.715 332 HA SER 41 HA SER 41 -0.883 -5.346 -0.489 333 1HB SER 41 2HB SER 41 0.756 -5.867 1.207 334 2HB SER 41 1HB SER 41 -0.484 -7.102 1.335 335 HG SER 41 HG SER 41 0.851 -8.554 0.481 336 H ALA 42 H ALA 42 0.791 -7.874 -2.139 337 HA ALA 42 HA ALA 42 3.158 -6.545 -2.905 338 1HB ALA 42 1HB ALA 42 3.433 -8.411 -4.409 339 2HB ALA 42 2HB ALA 42 1.703 -8.772 -4.319 340 3HB ALA 42 3HB ALA 42 2.737 -9.022 -2.905 341 H ASN 43 H ASN 43 0.045 -7.046 -4.412 342 HA ASN 43 HA ASN 43 0.620 -5.924 -6.964 343 1HB ASN 43 2HB ASN 43 -1.818 -6.578 -5.368 344 2HB ASN 43 1HB ASN 43 -1.926 -5.888 -6.985 345 1HD2 ASN 43 1HD2 ASN 43 -0.417 -8.657 -5.240 346 2HD2 ASN 43 2HD2 ASN 43 -0.505 -9.729 -6.552 347 H LEU 44 H LEU 44 -0.709 -4.832 -3.970 348 HA LEU 44 HA LEU 44 -1.844 -2.445 -4.865 349 1HB LEU 44 2HB LEU 44 -0.994 -3.419 -2.185 350 2HB LEU 44 1HB LEU 44 -1.884 -1.925 -2.407 351 HG LEU 44 HG LEU 44 -2.820 -4.488 -3.671 352 1HD1 LEU 44 1HD1 LEU 44 -3.464 -3.512 -0.894 353 2HD1 LEU 44 2HD1 LEU 44 -2.757 -5.058 -1.348 354 3HD1 LEU 44 3HD1 LEU 44 -4.427 -4.701 -1.766 355 1HD2 LEU 44 1HD2 LEU 44 -4.134 -1.894 -2.908 356 2HD2 LEU 44 2HD2 LEU 44 -4.980 -3.288 -3.589 357 3HD2 LEU 44 3HD2 LEU 44 -3.744 -2.459 -4.539 358 H LEU 45 H LEU 45 1.403 -3.023 -3.514 359 HA LEU 45 HA LEU 45 1.950 -0.186 -3.640 360 1HB LEU 45 2HB LEU 45 4.455 -1.528 -4.087 361 2HB LEU 45 1HB LEU 45 3.981 -0.515 -2.744 362 HG LEU 45 HG LEU 45 4.732 -2.628 -1.928 363 1HD1 LEU 45 1HD1 LEU 45 2.856 -1.564 -0.776 364 2HD1 LEU 45 2HD1 LEU 45 2.789 -3.322 -0.647 365 3HD1 LEU 45 3HD1 LEU 45 1.728 -2.483 -1.763 366 1HD2 LEU 45 1HD2 LEU 45 3.960 -3.645 -4.263 367 2HD2 LEU 45 2HD2 LEU 45 2.580 -4.136 -3.296 368 3HD2 LEU 45 3HD2 LEU 45 4.193 -4.652 -2.833 369 H ALA 46 H ALA 46 2.025 -2.933 -5.698 370 HA ALA 46 HA ALA 46 3.531 -1.917 -7.856 371 1HB ALA 46 1HB ALA 46 2.813 -3.782 -8.967 372 2HB ALA 46 2HB ALA 46 1.124 -3.499 -8.531 373 3HB ALA 46 3HB ALA 46 2.221 -4.264 -7.378 374 H GLU 47 H GLU 47 0.147 -1.753 -6.926 375 HA GLU 47 HA GLU 47 -0.756 -0.196 -9.129 376 1HB GLU 47 2HB GLU 47 -1.772 -1.325 -6.620 377 2HB GLU 47 1HB GLU 47 -2.412 0.291 -6.939 378 1HG GLU 47 2HG GLU 47 -2.703 -2.192 -8.618 379 2HG GLU 47 1HG GLU 47 -3.954 -1.109 -8.007 380 H ALA 48 H ALA 48 0.111 0.388 -5.828 381 HA ALA 48 HA ALA 48 -0.344 3.140 -5.690 382 1HB ALA 48 1HB ALA 48 0.773 3.034 -3.653 383 2HB ALA 48 2HB ALA 48 1.837 1.739 -4.210 384 3HB ALA 48 3HB ALA 48 0.151 1.402 -3.856 385 H LYS 49 H LYS 49 2.568 1.303 -6.441 386 HA LYS 49 HA LYS 49 4.262 3.545 -6.895 387 1HB LYS 49 2HB LYS 49 4.355 0.680 -7.883 388 2HB LYS 49 1HB LYS 49 5.594 1.867 -8.292 389 1HG LYS 49 2HG LYS 49 6.100 2.223 -5.930 390 2HG LYS 49 1HG LYS 49 4.800 1.141 -5.447 391 1HD LYS 49 2HD LYS 49 5.977 -0.697 -6.738 392 2HD LYS 49 1HD LYS 49 7.333 0.412 -6.944 393 1HE LYS 49 2HE LYS 49 6.189 -0.420 -4.258 394 2HE LYS 49 1HE LYS 49 7.628 -1.123 -4.990 395 1HZ LYS 49 1HZ LYS 49 8.535 1.190 -5.079 396 2HZ LYS 49 2HZ LYS 49 8.346 0.554 -3.515 397 3HZ LYS 49 3HZ LYS 49 7.226 1.681 -4.119 398 H LYS 50 H LYS 50 1.929 1.739 -8.836 399 HA LYS 50 HA LYS 50 2.558 3.051 -11.312 400 1HB LYS 50 2HB LYS 50 0.315 1.300 -10.350 401 2HB LYS 50 1HB LYS 50 0.101 2.236 -11.828 402 1HG LYS 50 2HG LYS 50 2.238 1.255 -12.697 403 2HG LYS 50 1HG LYS 50 2.312 0.235 -11.266 404 1HD LYS 50 2HD LYS 50 -0.318 0.029 -12.460 405 2HD LYS 50 1HD LYS 50 0.911 -0.276 -13.684 406 1HE LYS 50 2HE LYS 50 0.622 -2.405 -12.774 407 2HE LYS 50 1HE LYS 50 1.984 -1.807 -11.829 408 1HZ LYS 50 1HZ LYS 50 -0.873 -1.714 -11.019 409 2HZ LYS 50 2HZ LYS 50 0.431 -1.108 -10.116 410 3HZ LYS 50 3HZ LYS 50 0.302 -2.775 -10.406 411 H LEU 51 H LEU 51 0.360 3.606 -8.611 412 HA LEU 51 HA LEU 51 -1.097 5.765 -9.778 413 1HB LEU 51 2HB LEU 51 -0.844 4.532 -7.112 414 2HB LEU 51 1HB LEU 51 -1.280 6.231 -7.132 415 HG LEU 51 HG LEU 51 -3.051 5.666 -8.809 416 1HD1 LEU 51 1HD1 LEU 51 -3.689 3.356 -9.116 417 2HD1 LEU 51 2HD1 LEU 51 -2.496 2.813 -7.933 418 3HD1 LEU 51 3HD1 LEU 51 -1.965 3.506 -9.478 419 1HD2 LEU 51 1HD2 LEU 51 -3.566 4.126 -6.300 420 2HD2 LEU 51 2HD2 LEU 51 -4.598 5.283 -7.136 421 3HD2 LEU 51 3HD2 LEU 51 -3.218 5.859 -6.195 422 H ASN 52 H ASN 52 1.688 5.473 -7.695 423 HA ASN 52 HA ASN 52 2.075 8.176 -7.124 424 1HB ASN 52 2HB ASN 52 3.258 6.529 -5.882 425 2HB ASN 52 1HB ASN 52 3.922 5.795 -7.341 426 1HD2 ASN 52 1HD2 ASN 52 5.616 7.126 -8.516 427 2HD2 ASN 52 2HD2 ASN 52 6.547 8.226 -7.615 428 H ASP 53 H ASP 53 3.263 6.093 -9.696 429 HA ASP 53 HA ASP 53 4.582 8.134 -11.135 430 1HB ASP 53 2HB ASP 53 5.157 5.717 -11.289 431 2HB ASP 53 1HB ASP 53 3.623 5.445 -12.116 432 H ALA 54 H ALA 54 1.410 6.608 -11.311 433 HA ALA 54 HA ALA 54 0.579 7.765 -13.793 434 1HB ALA 54 1HB ALA 54 -0.411 5.724 -12.943 435 2HB ALA 54 2HB ALA 54 -1.659 6.959 -13.085 436 3HB ALA 54 3HB ALA 54 -0.979 6.575 -11.506 437 H GLN 55 H GLN 55 -0.075 8.639 -10.415 438 HA GLN 55 HA GLN 55 -1.949 10.705 -11.129 439 1HB GLN 55 2HB GLN 55 -0.523 10.030 -8.556 440 2HB GLN 55 1HB GLN 55 -1.793 11.237 -8.708 441 1HG GLN 55 2HG GLN 55 -3.407 9.560 -9.349 442 2HG GLN 55 1HG GLN 55 -2.153 8.323 -9.464 443 1HE2 GLN 55 1HE2 GLN 55 -1.565 10.499 -6.864 444 2HE2 GLN 55 2HE2 GLN 55 -2.156 9.469 -5.631 445 H ALA 56 H ALA 56 1.283 10.549 -9.765 446 HA ALA 56 HA ALA 56 2.845 12.228 -9.346 447 1HB ALA 56 1HB ALA 56 2.015 13.051 -12.145 448 2HB ALA 56 2HB ALA 56 3.123 11.727 -11.780 449 3HB ALA 56 3HB ALA 56 3.563 13.384 -11.361 450 HA PRO 57 HA PRO 57 -0.693 15.147 -8.445 451 1HB PRO 57 2HB PRO 57 -0.027 15.030 -5.639 452 2HB PRO 57 1HB PRO 57 -1.499 14.489 -6.460 453 1HG PRO 57 2HG PRO 57 0.436 12.870 -5.321 454 2HG PRO 57 1HG PRO 57 -0.826 12.362 -6.452 455 1HD PRO 57 2HD PRO 57 2.054 12.803 -6.939 456 2HD PRO 57 1HD PRO 57 0.904 11.784 -7.824 457 H LYS 58 H LYS 58 -0.454 17.020 -6.532 458 HA LYS 58 HA LYS 58 1.874 18.592 -7.389 459 1HB LYS 58 2HB LYS 58 -0.627 19.391 -5.871 460 2HB LYS 58 1HB LYS 58 0.648 20.497 -6.388 461 1HG LYS 58 2HG LYS 58 0.253 19.800 -8.751 462 2HG LYS 58 1HG LYS 58 -1.081 18.784 -8.202 463 1HD LYS 58 2HD LYS 58 -2.152 20.835 -7.212 464 2HD LYS 58 1HD LYS 58 -0.878 21.801 -7.960 465 1HE LYS 58 2HE LYS 58 -1.534 20.935 -10.185 466 2HE LYS 58 1HE LYS 58 -2.821 19.993 -9.431 467 1HZ LYS 58 1HZ LYS 58 -2.561 22.950 -9.327 468 2HZ LYS 58 2HZ LYS 58 -3.806 22.036 -8.619 469 3HZ LYS 58 3HZ LYS 58 -3.645 22.092 -10.309 Start of MODEL 30 1 1H VAL 1 1HT VAL 1 -2.422 -10.033 13.750 2 2H VAL 1 2HT VAL 1 -2.165 -8.622 14.662 3 3H VAL 1 3HT VAL 1 -2.872 -9.988 15.385 4 HA VAL 1 HA VAL 1 -0.067 -9.582 14.553 5 HB VAL 1 HB VAL 1 -1.365 -10.587 17.115 6 1HG1 VAL 1 1HG1 VAL 1 0.853 -11.531 16.873 7 2HG1 VAL 1 2HG1 VAL 1 0.959 -10.208 18.034 8 3HG1 VAL 1 3HG1 VAL 1 1.516 -9.973 16.378 9 1HG2 VAL 1 1HG2 VAL 1 -0.142 -7.905 16.377 10 2HG2 VAL 1 2HG2 VAL 1 -0.556 -8.384 18.023 11 3HG2 VAL 1 3HG2 VAL 1 -1.823 -8.215 16.810 12 H ASP 2 H ASP 2 -2.420 -12.043 15.613 13 HA ASP 2 HA ASP 2 -0.810 -14.311 15.200 14 1HB ASP 2 2HB ASP 2 -2.873 -15.586 15.293 15 2HB ASP 2 1HB ASP 2 -2.938 -14.295 16.487 16 H ASN 3 H ASN 3 -2.829 -12.450 13.006 17 HA ASN 3 HA ASN 3 -2.589 -14.318 10.807 18 1HB ASN 3 2HB ASN 3 -3.778 -11.585 11.185 19 2HB ASN 3 1HB ASN 3 -3.490 -12.187 9.557 20 1HD2 ASN 3 1HD2 ASN 3 -4.834 -13.549 12.626 21 2HD2 ASN 3 2HD2 ASN 3 -6.165 -14.285 11.873 22 H LYS 4 H LYS 4 -1.374 -14.003 8.909 23 HA LYS 4 HA LYS 4 1.184 -12.795 9.287 24 1HB LYS 4 2HB LYS 4 0.064 -13.786 6.675 25 2HB LYS 4 1HB LYS 4 1.755 -13.692 7.156 26 1HG LYS 4 2HG LYS 4 1.017 -15.309 9.100 27 2HG LYS 4 1HG LYS 4 -0.350 -15.654 8.040 28 1HD LYS 4 2HD LYS 4 1.195 -17.264 7.345 29 2HD LYS 4 1HD LYS 4 1.502 -15.959 6.199 30 1HE LYS 4 2HE LYS 4 3.668 -16.187 6.872 31 2HE LYS 4 1HE LYS 4 3.147 -15.231 8.260 32 1HZ LYS 4 1HZ LYS 4 2.583 -17.351 9.377 33 2HZ LYS 4 2HZ LYS 4 4.242 -17.180 9.049 34 3HZ LYS 4 3HZ LYS 4 3.282 -18.191 8.080 35 H PHE 5 H PHE 5 -1.653 -11.423 8.729 36 HA PHE 5 HA PHE 5 -1.479 -9.715 6.565 37 1HB PHE 5 2HB PHE 5 -2.734 -9.510 9.277 38 2HB PHE 5 1HB PHE 5 -2.740 -8.130 8.189 39 HD1 PHE 5 1HD PHE 5 -4.930 -7.912 7.463 40 HD2 PHE 5 2HD PHE 5 -3.065 -11.798 7.431 41 HE1 PHE 5 1HE PHE 5 -6.903 -8.833 6.293 42 HE2 PHE 5 2HE PHE 5 -5.061 -12.716 6.246 43 HZ PHE 5 HZ PHE 5 -6.967 -11.217 5.679 44 H ASN 6 H ASN 6 -0.608 -8.967 9.937 45 HA ASN 6 HA ASN 6 0.184 -6.370 9.571 46 1HB ASN 6 2HB ASN 6 1.478 -8.334 11.449 47 2HB ASN 6 1HB ASN 6 1.441 -6.582 11.614 48 1HD2 ASN 6 1HD2 ASN 6 -0.501 -9.522 11.913 49 2HD2 ASN 6 2HD2 ASN 6 -1.831 -8.779 12.663 50 H LYS 7 H LYS 7 2.370 -9.232 9.404 51 HA LYS 7 HA LYS 7 4.676 -7.695 8.846 52 1HB LYS 7 2HB LYS 7 4.765 -10.012 9.590 53 2HB LYS 7 1HB LYS 7 4.116 -10.534 8.033 54 1HG LYS 7 2HG LYS 7 6.097 -10.187 6.948 55 2HG LYS 7 1HG LYS 7 6.416 -8.687 7.819 56 1HD LYS 7 2HD LYS 7 8.096 -10.140 8.586 57 2HD LYS 7 1HD LYS 7 6.872 -10.189 9.856 58 1HE LYS 7 2HE LYS 7 5.931 -12.249 8.881 59 2HE LYS 7 1HE LYS 7 7.142 -12.196 7.597 60 1HZ LYS 7 1HZ LYS 7 7.646 -12.518 10.507 61 2HZ LYS 7 2HZ LYS 7 8.865 -12.304 9.344 62 3HZ LYS 7 3HZ LYS 7 7.879 -13.686 9.301 63 H GLU 8 H GLU 8 2.257 -9.216 6.745 64 HA GLU 8 HA GLU 8 3.594 -8.593 4.297 65 1HB GLU 8 2HB GLU 8 1.831 -10.351 4.623 66 2HB GLU 8 1HB GLU 8 0.637 -9.068 4.817 67 1HG GLU 8 2HG GLU 8 0.659 -8.519 2.605 68 2HG GLU 8 1HG GLU 8 2.364 -8.908 2.401 69 H ARG 9 H ARG 9 1.304 -6.980 6.363 70 HA ARG 9 HA ARG 9 0.766 -4.816 4.612 71 1HB ARG 9 2HB ARG 9 0.098 -5.340 7.501 72 2HB ARG 9 1HB ARG 9 -0.347 -3.847 6.674 73 1HG ARG 9 2HG ARG 9 -1.528 -5.152 4.948 74 2HG ARG 9 1HG ARG 9 -1.107 -6.642 5.750 75 1HD ARG 9 2HD ARG 9 -3.252 -6.284 6.548 76 2HD ARG 9 1HD ARG 9 -2.292 -5.531 7.820 77 HE ARG 9 HE ARG 9 -4.050 -4.190 5.950 78 1HH1 ARG 9 1HH2 ARG 9 -3.193 -3.590 8.929 79 2HH1 ARG 9 2HH2 ARG 9 -2.504 -2.017 8.716 80 1HH2 ARG 9 1HH1 ARG 9 -2.330 -2.271 5.269 81 2HH2 ARG 9 2HH1 ARG 9 -2.013 -1.273 6.646 82 H VAL 10 H VAL 10 3.085 -5.367 7.222 83 HA VAL 10 HA VAL 10 3.821 -2.659 7.669 84 HB VAL 10 HB VAL 10 5.710 -5.024 7.855 85 1HG1 VAL 10 1HG1 VAL 10 7.023 -3.629 9.293 86 2HG1 VAL 10 2HG1 VAL 10 5.740 -2.425 9.416 87 3HG1 VAL 10 3HG1 VAL 10 6.613 -2.628 7.895 88 1HG2 VAL 10 1HG2 VAL 10 4.904 -4.360 10.443 89 2HG2 VAL 10 2HG2 VAL 10 4.463 -5.803 9.533 90 3HG2 VAL 10 3HG2 VAL 10 3.407 -4.384 9.513 91 H ILE 11 H ILE 11 5.111 -5.237 5.759 92 HA ILE 11 HA ILE 11 7.209 -3.896 4.524 93 HB ILE 11 HB ILE 11 5.504 -6.224 3.613 94 1HG1 ILE 11 2HG1 ILE 11 8.219 -6.256 4.975 95 2HG1 ILE 11 1HG1 ILE 11 6.703 -6.382 5.876 96 1HG2 ILE 11 1HG2 ILE 11 6.816 -5.173 1.774 97 2HG2 ILE 11 2HG2 ILE 11 7.357 -6.815 2.162 98 3HG2 ILE 11 3HG2 ILE 11 8.286 -5.421 2.722 99 1HD1 ILE 11 1HD1 ILE 11 7.433 -8.232 3.577 100 2HD1 ILE 11 2HD1 ILE 11 6.113 -8.429 4.734 101 3HD1 ILE 11 3HD1 ILE 11 7.784 -8.610 5.268 102 H ALA 12 H ALA 12 3.879 -4.463 3.586 103 HA ALA 12 HA ALA 12 3.999 -3.123 1.083 104 1HB ALA 12 1HB ALA 12 1.445 -3.236 1.462 105 2HB ALA 12 2HB ALA 12 1.886 -4.215 2.877 106 3HB ALA 12 3HB ALA 12 2.377 -4.719 1.249 107 H ILE 13 H ILE 13 2.628 -2.144 4.262 108 HA ILE 13 HA ILE 13 1.679 0.359 3.387 109 HB ILE 13 HB ILE 13 1.076 -0.756 5.575 110 1HG1 ILE 13 2HG1 ILE 13 1.770 2.067 5.121 111 2HG1 ILE 13 1HG1 ILE 13 0.285 1.365 5.734 112 1HG2 ILE 13 1HG2 ILE 13 3.526 -1.287 6.088 113 2HG2 ILE 13 2HG2 ILE 13 2.564 -0.708 7.431 114 3HG2 ILE 13 3HG2 ILE 13 3.688 0.378 6.611 115 1HD1 ILE 13 1HD1 ILE 13 1.482 1.002 7.929 116 2HD1 ILE 13 2HD1 ILE 13 1.222 2.694 7.500 117 3HD1 ILE 13 3HD1 ILE 13 2.813 1.959 7.273 118 H GLY 14 H GLY 14 4.732 -0.824 4.563 119 1HA GLY 14 2HA GLY 14 6.076 1.630 4.800 120 2HA GLY 14 1HA GLY 14 6.835 0.038 4.626 121 H GLU 15 H GLU 15 5.534 -0.687 2.141 122 HA GLU 15 HA GLU 15 7.295 0.562 0.279 123 1HB GLU 15 2HB GLU 15 4.889 -1.233 -0.057 124 2HB GLU 15 1HB GLU 15 5.867 -0.682 -1.410 125 1HG GLU 15 2HG GLU 15 7.412 -1.868 0.807 126 2HG GLU 15 1HG GLU 15 6.305 -2.989 0.004 127 H ILE 16 H ILE 16 3.813 0.684 0.848 128 HA ILE 16 HA ILE 16 3.297 2.526 -1.196 129 HB ILE 16 HB ILE 16 1.698 1.347 1.018 130 1HG1 ILE 16 2HG1 ILE 16 1.359 1.316 -1.978 131 2HG1 ILE 16 1HG1 ILE 16 2.456 0.225 -1.153 132 1HG2 ILE 16 1HG2 ILE 16 1.047 3.895 0.138 133 2HG2 ILE 16 2HG2 ILE 16 -0.098 2.709 0.749 134 3HG2 ILE 16 3HG2 ILE 16 0.157 2.878 -0.998 135 1HD1 ILE 16 1HD1 ILE 16 0.017 0.107 0.250 136 2HD1 ILE 16 2HD1 ILE 16 0.728 -1.134 -0.779 137 3HD1 ILE 16 3HD1 ILE 16 -0.378 0.050 -1.470 138 H MET 17 H MET 17 3.833 2.922 2.245 139 HA MET 17 HA MET 17 3.086 5.661 2.382 140 1HB MET 17 2HB MET 17 4.804 3.896 4.143 141 2HB MET 17 1HB MET 17 4.498 5.600 4.516 142 1HG MET 17 2HG MET 17 2.289 3.587 4.006 143 2HG MET 17 1HG MET 17 2.891 3.961 5.616 144 1HE MET 17 1HE MET 17 -0.026 4.345 3.688 145 2HE MET 17 2HE MET 17 -0.751 5.523 4.783 146 3HE MET 17 3HE MET 17 0.085 4.115 5.437 147 H ARG 18 H ARG 18 5.832 4.051 1.096 148 HA ARG 18 HA ARG 18 7.786 6.120 1.355 149 1HB ARG 18 2HB ARG 18 8.400 3.789 0.966 150 2HB ARG 18 1HB ARG 18 7.520 3.787 -0.555 151 1HG ARG 18 2HG ARG 18 9.054 5.591 -1.385 152 2HG ARG 18 1HG ARG 18 10.002 5.396 0.094 153 1HD ARG 18 2HD ARG 18 9.379 3.172 -1.864 154 2HD ARG 18 1HD ARG 18 10.894 4.070 -1.834 155 HE ARG 18 HE ARG 18 11.234 3.149 0.452 156 1HH1 ARG 18 1HH1 ARG 18 10.940 1.017 -1.875 157 2HH1 ARG 18 2HH1 ARG 18 10.122 -0.238 -1.005 158 1HH2 ARG 18 1HH2 ARG 18 9.311 1.792 1.681 159 2HH2 ARG 18 2HH2 ARG 18 9.203 0.201 1.006 160 H LEU 19 H LEU 19 5.295 5.292 -0.950 161 HA LEU 19 HA LEU 19 5.941 6.618 -3.221 162 1HB LEU 19 2HB LEU 19 3.197 6.534 -1.971 163 2HB LEU 19 1HB LEU 19 3.582 6.679 -3.689 164 HG LEU 19 HG LEU 19 4.398 4.330 -1.945 165 1HD1 LEU 19 1HD1 LEU 19 2.686 3.037 -2.919 166 2HD1 LEU 19 2HD1 LEU 19 2.334 4.269 -4.136 167 3HD1 LEU 19 3HD1 LEU 19 1.902 4.541 -2.447 168 1HD2 LEU 19 1HD2 LEU 19 5.956 4.213 -3.567 169 2HD2 LEU 19 2HD2 LEU 19 5.023 5.213 -4.694 170 3HD2 LEU 19 3HD2 LEU 19 4.638 3.496 -4.503 171 HA PRO 20 HA PRO 20 6.264 10.817 -1.576 172 1HB PRO 20 2HB PRO 20 7.459 11.643 -4.052 173 2HB PRO 20 1HB PRO 20 8.250 11.354 -2.499 174 1HG PRO 20 2HG PRO 20 8.505 9.831 -4.822 175 2HG PRO 20 1HG PRO 20 9.064 9.393 -3.198 176 1HD PRO 20 2HD PRO 20 6.724 8.410 -4.704 177 2HD PRO 20 1HD PRO 20 7.596 7.665 -3.349 178 H ASN 21 H ASN 21 4.571 9.769 -4.453 179 HA ASN 21 HA ASN 21 3.686 12.523 -5.025 180 1HB ASN 21 2HB ASN 21 2.964 9.981 -6.512 181 2HB ASN 21 1HB ASN 21 2.695 11.629 -7.039 182 1HD2 ASN 21 1HD2 ASN 21 4.457 9.527 -8.295 183 2HD2 ASN 21 2HD2 ASN 21 6.005 10.222 -8.356 184 H LEU 22 H LEU 22 1.991 9.430 -4.707 185 HA LEU 22 HA LEU 22 -0.582 10.043 -4.525 186 1HB LEU 22 2HB LEU 22 0.931 8.289 -2.599 187 2HB LEU 22 1HB LEU 22 -0.831 8.296 -2.753 188 HG LEU 22 HG LEU 22 0.877 7.956 -5.196 189 1HD1 LEU 22 1HD1 LEU 22 0.013 5.749 -3.319 190 2HD1 LEU 22 2HD1 LEU 22 1.660 6.347 -3.497 191 3HD1 LEU 22 3HD1 LEU 22 0.863 5.555 -4.851 192 1HD2 LEU 22 1HD2 LEU 22 -1.137 7.656 -6.126 193 2HD2 LEU 22 2HD2 LEU 22 -1.890 8.023 -4.572 194 3HD2 LEU 22 3HD2 LEU 22 -1.492 6.353 -4.986 195 H ASN 23 H ASN 23 -2.117 10.716 -3.119 196 HA ASN 23 HA ASN 23 -1.241 12.610 -1.064 197 1HB ASN 23 2HB ASN 23 -3.790 12.895 -0.829 198 2HB ASN 23 1HB ASN 23 -3.073 13.428 -2.346 199 1HD2 ASN 23 1HD2 ASN 23 -3.768 12.392 -4.270 200 2HD2 ASN 23 2HD2 ASN 23 -4.865 11.096 -4.292 201 H SER 24 H SER 24 -2.093 12.379 1.139 202 HA SER 24 HA SER 24 -1.458 9.949 2.255 203 1HB SER 24 2HB SER 24 -2.702 10.653 4.247 204 2HB SER 24 1HB SER 24 -1.643 11.915 3.615 205 HG SER 24 HG SER 24 -4.447 11.649 3.227 206 H LEU 25 H LEU 25 -4.596 10.991 1.030 207 HA LEU 25 HA LEU 25 -6.132 8.890 2.125 208 1HB LEU 25 2HB LEU 25 -6.587 10.265 -0.518 209 2HB LEU 25 1HB LEU 25 -7.774 9.441 0.476 210 HG LEU 25 HG LEU 25 -7.110 11.175 2.310 211 1HD1 LEU 25 1HD1 LEU 25 -6.699 13.390 0.756 212 2HD1 LEU 25 2HD1 LEU 25 -5.718 12.204 -0.102 213 3HD1 LEU 25 3HD1 LEU 25 -5.409 12.538 1.600 214 1HD2 LEU 25 1HD2 LEU 25 -8.652 12.865 1.011 215 2HD2 LEU 25 2HD2 LEU 25 -9.290 11.285 1.479 216 3HD2 LEU 25 3HD2 LEU 25 -8.735 11.561 -0.176 217 H GLN 26 H GLN 26 -4.534 9.219 -1.041 218 HA GLN 26 HA GLN 26 -5.279 6.668 -1.957 219 1HB GLN 26 2HB GLN 26 -3.073 8.520 -2.673 220 2HB GLN 26 1HB GLN 26 -3.223 6.949 -3.425 221 1HG GLN 26 2HG GLN 26 -5.492 8.939 -3.297 222 2HG GLN 26 1HG GLN 26 -4.363 8.873 -4.659 223 1HE2 GLN 26 1HE2 GLN 26 -4.114 6.467 -5.556 224 2HE2 GLN 26 2HE2 GLN 26 -5.569 5.610 -5.727 225 H VAL 27 H VAL 27 -2.479 7.951 -0.346 226 HA VAL 27 HA VAL 27 -0.871 5.685 -0.213 227 HB VAL 27 HB VAL 27 -1.264 8.139 1.495 228 1HG1 VAL 27 1HG1 VAL 27 -0.338 7.023 3.209 229 2HG1 VAL 27 2HG1 VAL 27 1.159 7.298 2.314 230 3HG1 VAL 27 3HG1 VAL 27 0.323 5.750 2.171 231 1HG2 VAL 27 1HG2 VAL 27 1.166 8.461 0.624 232 2HG2 VAL 27 2HG2 VAL 27 -0.168 8.705 -0.503 233 3HG2 VAL 27 3HG2 VAL 27 0.750 7.201 -0.536 234 H VAL 28 H VAL 28 -3.411 6.933 1.826 235 HA VAL 28 HA VAL 28 -3.336 4.789 3.713 236 HB VAL 28 HB VAL 28 -5.377 6.954 3.340 237 1HG1 VAL 28 1HG1 VAL 28 -4.878 4.912 5.545 238 2HG1 VAL 28 2HG1 VAL 28 -6.327 5.004 4.533 239 3HG1 VAL 28 3HG1 VAL 28 -5.980 6.284 5.697 240 1HG2 VAL 28 1HG2 VAL 28 -2.743 7.105 4.088 241 2HG2 VAL 28 2HG2 VAL 28 -3.518 6.800 5.644 242 3HG2 VAL 28 3HG2 VAL 28 -3.996 8.206 4.682 243 H ALA 29 H ALA 29 -5.092 5.522 0.865 244 HA ALA 29 HA ALA 29 -7.226 3.750 0.949 245 1HB ALA 29 1HB ALA 29 -6.531 5.514 -0.828 246 2HB ALA 29 2HB ALA 29 -7.290 4.020 -1.384 247 3HB ALA 29 3HB ALA 29 -5.536 4.218 -1.509 248 H PHE 30 H PHE 30 -3.865 3.399 0.082 249 HA PHE 30 HA PHE 30 -4.036 0.724 -0.738 250 1HB PHE 30 2HB PHE 30 -1.873 2.633 -0.021 251 2HB PHE 30 1HB PHE 30 -1.532 0.933 -0.245 252 HD1 PHE 30 1HD PHE 30 -2.509 -0.205 -2.373 253 HD2 PHE 30 2HD PHE 30 -2.006 4.005 -1.857 254 HE1 PHE 30 1HE PHE 30 -2.661 0.116 -4.807 255 HE2 PHE 30 2HE PHE 30 -2.233 4.353 -4.243 256 HZ PHE 30 HZ PHE 30 -2.551 2.399 -5.776 257 H ILE 31 H ILE 31 -3.331 2.418 2.330 258 HA ILE 31 HA ILE 31 -2.402 0.158 3.747 259 HB ILE 31 HB ILE 31 -4.279 2.282 4.856 260 1HG1 ILE 31 2HG1 ILE 31 -1.255 2.237 4.914 261 2HG1 ILE 31 1HG1 ILE 31 -2.204 3.241 3.828 262 1HG2 ILE 31 1HG2 ILE 31 -2.230 0.539 6.259 263 2HG2 ILE 31 2HG2 ILE 31 -3.965 0.220 6.253 264 3HG2 ILE 31 3HG2 ILE 31 -3.339 1.679 7.018 265 1HD1 ILE 31 1HD1 ILE 31 -1.554 3.723 6.590 266 2HD1 ILE 31 2HD1 ILE 31 -3.303 3.576 6.428 267 3HD1 ILE 31 3HD1 ILE 31 -2.431 4.769 5.478 268 H ASN 32 H ASN 32 -5.551 1.363 2.846 269 HA ASN 32 HA ASN 32 -7.154 -0.526 4.245 270 1HB ASN 32 2HB ASN 32 -7.652 1.778 2.925 271 2HB ASN 32 1HB ASN 32 -8.131 0.621 1.689 272 1HD2 ASN 32 1HD2 ASN 32 -8.998 1.973 4.805 273 2HD2 ASN 32 2HD2 ASN 32 -10.454 1.119 4.983 274 H SER 33 H SER 33 -5.852 -0.471 0.936 275 HA SER 33 HA SER 33 -7.241 -2.730 0.020 276 1HB SER 33 2HB SER 33 -4.519 -1.811 -0.880 277 2HB SER 33 1HB SER 33 -5.710 -2.727 -1.798 278 HG SER 33 HG SER 33 -6.129 -0.124 -0.745 279 H LEU 34 H LEU 34 -4.186 -2.382 1.749 280 HA LEU 34 HA LEU 34 -3.212 -5.018 1.416 281 1HB LEU 34 2HB LEU 34 -2.793 -3.692 4.068 282 2HB LEU 34 1HB LEU 34 -1.672 -4.632 3.093 283 HG LEU 34 HG LEU 34 -2.548 -1.791 2.652 284 1HD1 LEU 34 1HD1 LEU 34 -0.803 -1.637 4.137 285 2HD1 LEU 34 2HD1 LEU 34 0.097 -1.667 2.621 286 3HD1 LEU 34 3HD1 LEU 34 -0.061 -3.137 3.580 287 1HD2 LEU 34 1HD2 LEU 34 -1.350 -3.774 0.794 288 2HD2 LEU 34 2HD2 LEU 34 -0.633 -2.165 0.788 289 3HD2 LEU 34 3HD2 LEU 34 -2.347 -2.368 0.436 290 H ARG 35 H ARG 35 -5.300 -3.679 3.975 291 HA ARG 35 HA ARG 35 -5.589 -6.214 5.296 292 1HB ARG 35 2HB ARG 35 -7.335 -5.104 6.633 293 2HB ARG 35 1HB ARG 35 -5.847 -4.177 6.558 294 1HG ARG 35 2HG ARG 35 -6.811 -2.755 4.791 295 2HG ARG 35 1HG ARG 35 -8.324 -3.656 4.897 296 1HD ARG 35 2HD ARG 35 -8.459 -3.004 7.317 297 2HD ARG 35 1HD ARG 35 -7.032 -2.000 7.085 298 HE ARG 35 HE ARG 35 -8.328 -0.543 5.706 299 1HH1 ARG 35 1HH2 ARG 35 -10.257 -2.510 4.521 300 2HH1 ARG 35 2HH2 ARG 35 -11.737 -2.105 5.324 301 1HH2 ARG 35 1HH1 ARG 35 -10.187 -0.298 7.836 302 2HH2 ARG 35 2HH1 ARG 35 -11.698 -0.855 7.199 303 H ASP 36 H ASP 36 -7.343 -4.459 2.845 304 HA ASP 36 HA ASP 36 -9.668 -6.100 2.792 305 1HB ASP 36 2HB ASP 36 -8.359 -4.384 0.652 306 2HB ASP 36 1HB ASP 36 -9.936 -5.146 0.481 307 H ASP 37 H ASP 37 -6.408 -6.416 1.808 308 HA ASP 37 HA ASP 37 -6.680 -9.155 1.067 309 1HB ASP 37 2HB ASP 37 -7.648 -7.894 -0.947 310 2HB ASP 37 1HB ASP 37 -6.005 -7.359 -1.258 311 HA PRO 38 HA PRO 38 -2.417 -7.937 2.265 312 1HB PRO 38 2HB PRO 38 -2.073 -10.582 3.356 313 2HB PRO 38 1HB PRO 38 -2.187 -9.041 4.217 314 1HG PRO 38 2HG PRO 38 -4.070 -11.074 4.223 315 2HG PRO 38 1HG PRO 38 -4.308 -9.413 4.771 316 1HD PRO 38 2HD PRO 38 -5.259 -10.712 2.291 317 2HD PRO 38 1HD PRO 38 -5.890 -9.280 3.134 318 H SER 39 H SER 39 -3.579 -10.879 0.703 319 HA SER 39 HA SER 39 -1.119 -11.838 -0.299 320 1HB SER 39 2HB SER 39 -3.287 -13.121 -0.290 321 2HB SER 39 1HB SER 39 -3.844 -12.095 -1.606 322 HG SER 39 HG SER 39 -1.461 -12.909 -2.299 323 H GLN 40 H GLN 40 -3.321 -9.327 -1.250 324 HA GLN 40 HA GLN 40 -1.901 -8.848 -3.748 325 1HB GLN 40 2HB GLN 40 -4.391 -7.620 -2.564 326 2HB GLN 40 1HB GLN 40 -3.667 -7.080 -4.076 327 1HG GLN 40 2HG GLN 40 -4.483 -9.951 -3.560 328 2HG GLN 40 1HG GLN 40 -5.534 -8.774 -4.341 329 1HE2 GLN 40 1HE2 GLN 40 -3.164 -11.122 -4.960 330 2HE2 GLN 40 2HE2 GLN 40 -2.742 -10.634 -6.529 331 H SER 41 H SER 41 -1.260 -8.135 -0.648 332 HA SER 41 HA SER 41 -0.888 -5.363 -0.486 333 1HB SER 41 2HB SER 41 0.667 -5.805 1.288 334 2HB SER 41 1HB SER 41 -0.505 -7.105 1.376 335 HG SER 41 HG SER 41 0.938 -8.483 0.542 336 H ALA 42 H ALA 42 0.875 -7.901 -2.029 337 HA ALA 42 HA ALA 42 3.238 -6.557 -2.768 338 1HB ALA 42 1HB ALA 42 1.851 -8.834 -4.173 339 2HB ALA 42 2HB ALA 42 2.853 -9.040 -2.728 340 3HB ALA 42 3HB ALA 42 3.576 -8.450 -4.226 341 H ASN 43 H ASN 43 0.162 -7.114 -4.327 342 HA ASN 43 HA ASN 43 0.786 -6.016 -6.884 343 1HB ASN 43 2HB ASN 43 -1.672 -6.703 -5.336 344 2HB ASN 43 1HB ASN 43 -1.766 -5.989 -6.944 345 1HD2 ASN 43 1HD2 ASN 43 -0.633 -8.863 -5.159 346 2HD2 ASN 43 2HD2 ASN 43 -0.527 -9.873 -6.518 347 H LEU 44 H LEU 44 -0.605 -4.932 -3.926 348 HA LEU 44 HA LEU 44 -1.763 -2.577 -4.835 349 1HB LEU 44 2HB LEU 44 -0.942 -3.534 -2.138 350 2HB LEU 44 1HB LEU 44 -1.816 -2.027 -2.376 351 HG LEU 44 HG LEU 44 -2.755 -4.582 -3.655 352 1HD1 LEU 44 1HD1 LEU 44 -2.834 -5.246 -1.411 353 2HD1 LEU 44 2HD1 LEU 44 -4.449 -4.632 -1.730 354 3HD1 LEU 44 3HD1 LEU 44 -3.287 -3.641 -0.854 355 1HD2 LEU 44 1HD2 LEU 44 -4.909 -3.355 -3.601 356 2HD2 LEU 44 2HD2 LEU 44 -3.653 -2.560 -4.553 357 3HD2 LEU 44 3HD2 LEU 44 -4.048 -1.967 -2.931 358 H LEU 45 H LEU 45 1.504 -3.069 -3.488 359 HA LEU 45 HA LEU 45 1.952 -0.211 -3.621 360 1HB LEU 45 2HB LEU 45 4.493 -1.473 -4.061 361 2HB LEU 45 1HB LEU 45 3.983 -0.486 -2.712 362 HG LEU 45 HG LEU 45 4.786 -2.598 -1.919 363 1HD1 LEU 45 1HD1 LEU 45 2.858 -3.348 -0.647 364 2HD1 LEU 45 2HD1 LEU 45 1.778 -2.516 -1.752 365 3HD1 LEU 45 3HD1 LEU 45 2.886 -1.590 -0.751 366 1HD2 LEU 45 1HD2 LEU 45 4.394 -4.569 -2.937 367 2HD2 LEU 45 2HD2 LEU 45 3.901 -3.553 -4.298 368 3HD2 LEU 45 3HD2 LEU 45 2.696 -4.206 -3.198 369 H ALA 46 H ALA 46 2.119 -2.951 -5.698 370 HA ALA 46 HA ALA 46 3.565 -1.869 -7.872 371 1HB ALA 46 1HB ALA 46 2.934 -3.786 -8.941 372 2HB ALA 46 2HB ALA 46 1.235 -3.561 -8.518 373 3HB ALA 46 3HB ALA 46 2.349 -4.263 -7.347 374 H GLU 47 H GLU 47 0.182 -1.892 -6.949 375 HA GLU 47 HA GLU 47 -0.901 -0.403 -9.111 376 1HB GLU 47 2HB GLU 47 -1.651 -1.344 -6.393 377 2HB GLU 47 1HB GLU 47 -2.544 0.054 -6.998 378 1HG GLU 47 2HG GLU 47 -3.488 -1.135 -8.753 379 2HG GLU 47 1HG GLU 47 -2.191 -2.331 -8.782 380 H ALA 48 H ALA 48 0.078 0.291 -5.853 381 HA ALA 48 HA ALA 48 -0.399 3.018 -5.703 382 1HB ALA 48 1HB ALA 48 1.919 1.820 -4.293 383 2HB ALA 48 2HB ALA 48 0.304 1.231 -3.921 384 3HB ALA 48 3HB ALA 48 0.686 2.929 -3.693 385 H LYS 49 H LYS 49 2.531 1.258 -6.584 386 HA LYS 49 HA LYS 49 4.148 3.544 -7.059 387 1HB LYS 49 2HB LYS 49 4.255 0.701 -8.102 388 2HB LYS 49 1HB LYS 49 5.457 1.915 -8.541 389 1HG LYS 49 2HG LYS 49 6.077 2.235 -6.215 390 2HG LYS 49 1HG LYS 49 4.777 1.186 -5.671 391 1HD LYS 49 2HD LYS 49 5.867 -0.683 -7.011 392 2HD LYS 49 1HD LYS 49 7.244 0.395 -7.244 393 1HE LYS 49 2HE LYS 49 7.485 0.594 -4.777 394 2HE LYS 49 1HE LYS 49 6.140 -0.526 -4.568 395 1HZ LYS 49 1HZ LYS 49 8.044 -1.836 -4.418 396 2HZ LYS 49 2HZ LYS 49 8.806 -1.060 -5.723 397 3HZ LYS 49 3HZ LYS 49 7.490 -2.097 -5.999 398 H LYS 50 H LYS 50 1.783 1.751 -8.959 399 HA LYS 50 HA LYS 50 2.288 3.122 -11.441 400 1HB LYS 50 2HB LYS 50 0.490 1.051 -10.464 401 2HB LYS 50 1HB LYS 50 -0.389 2.234 -11.426 402 1HG LYS 50 2HG LYS 50 0.356 0.719 -13.051 403 2HG LYS 50 1HG LYS 50 1.583 1.979 -13.118 404 1HD LYS 50 2HD LYS 50 2.931 0.089 -12.993 405 2HD LYS 50 1HD LYS 50 2.778 0.482 -11.282 406 1HE LYS 50 2HE LYS 50 2.305 -1.838 -11.386 407 2HE LYS 50 1HE LYS 50 0.713 -1.087 -11.305 408 1HZ LYS 50 1HZ LYS 50 0.556 -2.604 -13.043 409 2HZ LYS 50 2HZ LYS 50 2.095 -2.225 -13.656 410 3HZ LYS 50 3HZ LYS 50 0.812 -1.126 -13.833 411 H LEU 51 H LEU 51 0.214 3.513 -8.669 412 HA LEU 51 HA LEU 51 -1.464 5.614 -9.577 413 1HB LEU 51 2HB LEU 51 -0.758 4.279 -7.055 414 2HB LEU 51 1HB LEU 51 -1.293 5.917 -6.890 415 HG LEU 51 HG LEU 51 -3.112 4.285 -6.654 416 1HD1 LEU 51 1HD1 LEU 51 -3.484 6.620 -7.418 417 2HD1 LEU 51 2HD1 LEU 51 -4.694 5.483 -8.033 418 3HD1 LEU 51 3HD1 LEU 51 -3.405 6.047 -9.094 419 1HD2 LEU 51 1HD2 LEU 51 -2.155 3.496 -9.391 420 2HD2 LEU 51 2HD2 LEU 51 -3.867 3.325 -9.001 421 3HD2 LEU 51 3HD2 LEU 51 -2.651 2.475 -8.038 422 H ASN 52 H ASN 52 1.475 5.442 -7.706 423 HA ASN 52 HA ASN 52 1.797 8.115 -7.014 424 1HB ASN 52 2HB ASN 52 2.986 6.141 -6.053 425 2HB ASN 52 1HB ASN 52 3.902 5.999 -7.549 426 1HD2 ASN 52 1HD2 ASN 52 5.753 7.296 -7.760 427 2HD2 ASN 52 2HD2 ASN 52 6.213 8.479 -6.633 428 H ASP 53 H ASP 53 3.020 6.202 -9.671 429 HA ASP 53 HA ASP 53 4.321 8.313 -11.006 430 1HB ASP 53 2HB ASP 53 3.437 5.585 -11.937 431 2HB ASP 53 1HB ASP 53 4.483 6.658 -12.862 432 H ALA 54 H ALA 54 1.160 6.787 -11.278 433 HA ALA 54 HA ALA 54 0.378 8.030 -13.732 434 1HB ALA 54 1HB ALA 54 -0.649 5.983 -12.984 435 2HB ALA 54 2HB ALA 54 -1.881 7.244 -13.068 436 3HB ALA 54 3HB ALA 54 -1.204 6.777 -11.506 437 H GLN 55 H GLN 55 -0.275 8.811 -10.322 438 HA GLN 55 HA GLN 55 -2.103 10.931 -11.031 439 1HB GLN 55 2HB GLN 55 -0.818 10.085 -8.436 440 2HB GLN 55 1HB GLN 55 -1.939 11.428 -8.577 441 1HG GLN 55 2HG GLN 55 -3.649 9.880 -9.505 442 2HG GLN 55 1HG GLN 55 -2.530 8.538 -9.247 443 1HE2 GLN 55 1HE2 GLN 55 -1.845 10.645 -6.772 444 2HE2 GLN 55 2HE2 GLN 55 -2.886 9.997 -5.589 445 H ALA 56 H ALA 56 1.122 10.629 -9.705 446 HA ALA 56 HA ALA 56 2.719 12.256 -9.192 447 1HB ALA 56 1HB ALA 56 3.110 11.659 -11.560 448 2HB ALA 56 2HB ALA 56 3.563 13.328 -11.216 449 3HB ALA 56 3HB ALA 56 2.051 12.979 -12.058 450 HA PRO 57 HA PRO 57 -1.033 15.221 -8.369 451 1HB PRO 57 2HB PRO 57 0.387 15.666 -5.877 452 2HB PRO 57 1HB PRO 57 -1.198 14.916 -6.139 453 1HG PRO 57 2HG PRO 57 1.468 13.658 -5.910 454 2HG PRO 57 1HG PRO 57 -0.134 13.016 -5.488 455 1HD PRO 57 2HD PRO 57 1.060 12.070 -7.650 456 2HD PRO 57 1HD PRO 57 -0.648 12.516 -7.740 457 H LYS 58 H LYS 58 -0.646 16.946 -9.629 458 HA LYS 58 HA LYS 58 1.854 18.405 -9.604 459 1HB LYS 58 2HB LYS 58 -0.770 18.964 -11.018 460 2HB LYS 58 1HB LYS 58 0.742 19.830 -11.294 461 1HG LYS 58 2HG LYS 58 1.822 17.666 -11.930 462 2HG LYS 58 1HG LYS 58 0.258 16.868 -11.757 463 1HD LYS 58 2HD LYS 58 -0.677 18.460 -13.463 464 2HD LYS 58 1HD LYS 58 0.955 19.084 -13.711 465 1HE LYS 58 2HE LYS 58 0.092 16.200 -14.116 466 2HE LYS 58 1HE LYS 58 0.400 17.369 -15.400 467 1HZ LYS 58 1HZ LYS 58 2.309 16.101 -13.552 468 2HZ LYS 58 2HZ LYS 58 2.676 17.609 -14.243 469 3HZ LYS 58 3HZ LYS 58 2.397 16.262 -15.238 Start of MODEL 31 1 1H VAL 1 1HT VAL 1 -4.057 -21.298 13.680 2 2H VAL 1 2HT VAL 1 -5.734 -21.274 13.945 3 3H VAL 1 3HT VAL 1 -4.710 -20.288 14.875 4 HA VAL 1 HA VAL 1 -4.849 -20.009 11.940 5 HB VAL 1 HB VAL 1 -6.467 -18.104 12.405 6 1HG1 VAL 1 1HG1 VAL 1 -8.432 -19.560 12.457 7 2HG1 VAL 1 2HG1 VAL 1 -7.463 -20.890 13.091 8 3HG1 VAL 1 3HG1 VAL 1 -7.178 -20.293 11.455 9 1HG2 VAL 1 1HG2 VAL 1 -6.039 -17.983 14.865 10 2HG2 VAL 1 2HG2 VAL 1 -6.806 -19.559 15.057 11 3HG2 VAL 1 3HG2 VAL 1 -7.751 -18.181 14.495 12 H ASP 2 H ASP 2 -3.968 -17.997 11.269 13 HA ASP 2 HA ASP 2 -2.602 -16.349 13.274 14 1HB ASP 2 2HB ASP 2 -0.993 -18.140 12.609 15 2HB ASP 2 1HB ASP 2 -1.127 -17.596 10.938 16 H ASN 3 H ASN 3 -2.197 -14.262 12.609 17 HA ASN 3 HA ASN 3 -3.440 -13.465 10.044 18 1HB ASN 3 2HB ASN 3 -2.965 -11.835 12.553 19 2HB ASN 3 1HB ASN 3 -3.743 -11.257 11.082 20 1HD2 ASN 3 1HD2 ASN 3 -4.695 -11.934 14.033 21 2HD2 ASN 3 2HD2 ASN 3 -6.136 -12.788 13.757 22 H LYS 4 H LYS 4 -1.654 -13.731 8.723 23 HA LYS 4 HA LYS 4 0.882 -12.515 9.374 24 1HB LYS 4 2HB LYS 4 -0.045 -13.725 6.764 25 2HB LYS 4 1HB LYS 4 1.622 -13.388 7.228 26 1HG LYS 4 2HG LYS 4 1.412 -14.958 9.128 27 2HG LYS 4 1HG LYS 4 -0.240 -15.329 8.632 28 1HD LYS 4 2HD LYS 4 0.689 -16.060 6.397 29 2HD LYS 4 1HD LYS 4 2.305 -15.880 7.085 30 1HE LYS 4 2HE LYS 4 1.870 -18.139 7.508 31 2HE LYS 4 1HE LYS 4 1.352 -17.386 9.016 32 1HZ LYS 4 1HZ LYS 4 -0.180 -18.885 7.211 33 2HZ LYS 4 2HZ LYS 4 -0.792 -17.301 7.230 34 3HZ LYS 4 3HZ LYS 4 -0.666 -18.184 8.676 35 H PHE 5 H PHE 5 -1.898 -11.176 8.607 36 HA PHE 5 HA PHE 5 -1.649 -9.570 6.371 37 1HB PHE 5 2HB PHE 5 -2.910 -9.135 9.063 38 2HB PHE 5 1HB PHE 5 -2.921 -7.881 7.839 39 HD1 PHE 5 1HD PHE 5 -3.292 -11.609 7.487 40 HD2 PHE 5 2HD PHE 5 -5.118 -7.725 7.118 41 HE1 PHE 5 1HE PHE 5 -5.315 -12.633 6.468 42 HE2 PHE 5 2HE PHE 5 -7.121 -8.753 6.103 43 HZ PHE 5 HZ PHE 5 -7.223 -11.193 5.774 44 H ASN 6 H ASN 6 -0.870 -8.669 9.724 45 HA ASN 6 HA ASN 6 0.111 -6.138 9.249 46 1HB ASN 6 2HB ASN 6 0.986 -8.086 11.371 47 2HB ASN 6 1HB ASN 6 1.275 -6.349 11.394 48 1HD2 ASN 6 1HD2 ASN 6 -0.546 -8.298 13.065 49 2HD2 ASN 6 2HD2 ASN 6 -2.034 -7.480 13.096 50 H LYS 7 H LYS 7 2.004 -9.167 9.386 51 HA LYS 7 HA LYS 7 4.506 -7.982 9.039 52 1HB LYS 7 2HB LYS 7 4.219 -10.283 9.765 53 2HB LYS 7 1HB LYS 7 3.572 -10.722 8.188 54 1HG LYS 7 2HG LYS 7 5.889 -11.372 8.192 55 2HG LYS 7 1HG LYS 7 5.774 -9.939 7.178 56 1HD LYS 7 2HD LYS 7 6.266 -9.387 10.052 57 2HD LYS 7 1HD LYS 7 7.570 -10.240 9.231 58 1HE LYS 7 2HE LYS 7 7.394 -8.456 7.399 59 2HE LYS 7 1HE LYS 7 6.378 -7.551 8.522 60 1HZ LYS 7 1HZ LYS 7 8.217 -7.771 10.163 61 2HZ LYS 7 2HZ LYS 7 8.595 -6.815 8.810 62 3HZ LYS 7 3HZ LYS 7 9.187 -8.404 8.925 63 H GLU 8 H GLU 8 2.124 -9.119 6.679 64 HA GLU 8 HA GLU 8 3.779 -8.533 4.386 65 1HB GLU 8 2HB GLU 8 1.910 -10.199 4.417 66 2HB GLU 8 1HB GLU 8 0.770 -8.872 4.605 67 1HG GLU 8 2HG GLU 8 0.870 -9.446 2.261 68 2HG GLU 8 1HG GLU 8 1.630 -7.880 2.492 69 H ARG 9 H ARG 9 1.349 -6.907 6.269 70 HA ARG 9 HA ARG 9 0.961 -4.669 4.615 71 1HB ARG 9 2HB ARG 9 0.305 -5.272 7.479 72 2HB ARG 9 1HB ARG 9 -0.009 -3.688 6.779 73 1HG ARG 9 2HG ARG 9 -1.460 -4.594 5.135 74 2HG ARG 9 1HG ARG 9 -0.970 -6.242 5.467 75 1HD ARG 9 2HD ARG 9 -3.056 -6.060 6.530 76 2HD ARG 9 1HD ARG 9 -1.913 -5.809 7.847 77 HE ARG 9 HE ARG 9 -3.754 -3.861 6.763 78 1HH1 ARG 9 1HH1 ARG 9 -2.393 -4.364 9.603 79 2HH1 ARG 9 2HH1 ARG 9 -1.664 -2.810 9.830 80 1HH2 ARG 9 1HH2 ARG 9 -2.091 -1.838 6.533 81 2HH2 ARG 9 2HH2 ARG 9 -1.493 -1.379 8.092 82 H VAL 10 H VAL 10 3.261 -5.370 7.185 83 HA VAL 10 HA VAL 10 4.096 -2.723 7.704 84 HB VAL 10 HB VAL 10 5.934 -5.130 7.736 85 1HG1 VAL 10 1HG1 VAL 10 6.047 -2.736 9.567 86 2HG1 VAL 10 2HG1 VAL 10 6.750 -2.649 7.948 87 3HG1 VAL 10 3HG1 VAL 10 7.340 -3.844 9.110 88 1HG2 VAL 10 1HG2 VAL 10 3.667 -4.506 9.496 89 2HG2 VAL 10 2HG2 VAL 10 5.187 -4.713 10.362 90 3HG2 VAL 10 3HG2 VAL 10 4.590 -6.003 9.317 91 H ILE 11 H ILE 11 5.218 -5.245 5.631 92 HA ILE 11 HA ILE 11 7.328 -3.927 4.374 93 HB ILE 11 HB ILE 11 5.500 -6.130 3.389 94 1HG1 ILE 11 2HG1 ILE 11 8.203 -6.409 4.738 95 2HG1 ILE 11 1HG1 ILE 11 6.685 -6.468 5.642 96 1HG2 ILE 11 1HG2 ILE 11 7.288 -6.745 1.897 97 2HG2 ILE 11 2HG2 ILE 11 8.340 -5.488 2.558 98 3HG2 ILE 11 3HG2 ILE 11 6.907 -5.038 1.627 99 1HD1 ILE 11 1HD1 ILE 11 7.107 -8.221 3.219 100 2HD1 ILE 11 2HD1 ILE 11 5.978 -8.442 4.561 101 3HD1 ILE 11 3HD1 ILE 11 7.705 -8.714 4.805 102 H ALA 12 H ALA 12 3.982 -4.453 3.469 103 HA ALA 12 HA ALA 12 4.037 -3.023 1.033 104 1HB ALA 12 1HB ALA 12 1.485 -3.138 1.491 105 2HB ALA 12 2HB ALA 12 1.979 -4.168 2.850 106 3HB ALA 12 3HB ALA 12 2.407 -4.610 1.190 107 H ILE 13 H ILE 13 2.740 -2.115 4.256 108 HA ILE 13 HA ILE 13 1.776 0.410 3.464 109 HB ILE 13 HB ILE 13 1.242 -0.788 5.644 110 1HG1 ILE 13 2HG1 ILE 13 1.871 2.061 5.229 111 2HG1 ILE 13 1HG1 ILE 13 0.396 1.318 5.820 112 1HG2 ILE 13 1HG2 ILE 13 3.812 0.428 6.689 113 2HG2 ILE 13 2HG2 ILE 13 3.767 -1.212 6.077 114 3HG2 ILE 13 3HG2 ILE 13 2.772 -0.773 7.453 115 1HD1 ILE 13 1HD1 ILE 13 1.302 2.619 7.623 116 2HD1 ILE 13 2HD1 ILE 13 2.911 1.930 7.376 117 3HD1 ILE 13 3HD1 ILE 13 1.603 0.923 8.008 118 H GLY 14 H GLY 14 4.836 -0.809 4.570 119 1HA GLY 14 2HA GLY 14 6.183 1.634 4.852 120 2HA GLY 14 1HA GLY 14 6.936 0.039 4.664 121 H GLU 15 H GLU 15 5.626 -0.638 2.158 122 HA GLU 15 HA GLU 15 7.410 0.627 0.317 123 1HB GLU 15 2HB GLU 15 4.986 -1.144 -0.072 124 2HB GLU 15 1HB GLU 15 6.005 -0.601 -1.398 125 1HG GLU 15 2HG GLU 15 7.589 -1.776 0.751 126 2HG GLU 15 1HG GLU 15 6.353 -2.899 0.162 127 H ILE 16 H ILE 16 3.932 0.715 0.880 128 HA ILE 16 HA ILE 16 3.369 2.562 -1.148 129 HB ILE 16 HB ILE 16 1.815 1.336 1.068 130 1HG1 ILE 16 2HG1 ILE 16 1.425 1.360 -1.924 131 2HG1 ILE 16 1HG1 ILE 16 2.537 0.258 -1.133 132 1HG2 ILE 16 1HG2 ILE 16 1.107 3.885 0.295 133 2HG2 ILE 16 2HG2 ILE 16 -0.028 2.652 0.830 134 3HG2 ILE 16 3HG2 ILE 16 0.247 2.914 -0.904 135 1HD1 ILE 16 1HD1 ILE 16 0.103 0.124 0.297 136 2HD1 ILE 16 2HD1 ILE 16 0.821 -1.111 -0.730 137 3HD1 ILE 16 3HD1 ILE 16 -0.296 0.061 -1.424 138 H MET 17 H MET 17 3.812 2.964 2.318 139 HA MET 17 HA MET 17 3.023 5.669 2.471 140 1HB MET 17 2HB MET 17 4.816 3.949 4.198 141 2HB MET 17 1HB MET 17 4.466 5.639 4.590 142 1HG MET 17 2HG MET 17 2.302 3.581 4.077 143 2HG MET 17 1HG MET 17 2.919 3.935 5.686 144 1HE MET 17 1HE MET 17 0.102 4.042 5.567 145 2HE MET 17 2HE MET 17 -0.022 4.267 3.827 146 3HE MET 17 3HE MET 17 -0.770 5.438 4.916 147 H ARG 18 H ARG 18 5.855 4.192 1.171 148 HA ARG 18 HA ARG 18 7.663 6.403 1.445 149 1HB ARG 18 2HB ARG 18 8.467 4.113 1.111 150 2HB ARG 18 1HB ARG 18 7.643 4.030 -0.442 151 1HG ARG 18 2HG ARG 18 9.049 5.913 -1.267 152 2HG ARG 18 1HG ARG 18 9.915 5.912 0.272 153 1HD ARG 18 2HD ARG 18 10.566 3.548 -0.125 154 2HD ARG 18 1HD ARG 18 9.742 3.599 -1.682 155 HE ARG 18 HE ARG 18 12.310 4.794 -1.039 156 1HH1 ARG 18 1HH1 ARG 18 10.767 7.008 -2.300 157 2HH1 ARG 18 2HH1 ARG 18 11.061 6.766 -3.990 158 1HH2 ARG 18 1HH2 ARG 18 12.167 3.507 -3.596 159 2HH2 ARG 18 2HH2 ARG 18 11.853 4.783 -4.723 160 H LEU 19 H LEU 19 5.361 5.296 -0.939 161 HA LEU 19 HA LEU 19 5.950 6.659 -3.210 162 1HB LEU 19 2HB LEU 19 3.172 6.361 -2.083 163 2HB LEU 19 1HB LEU 19 3.627 6.488 -3.783 164 HG LEU 19 HG LEU 19 4.517 4.256 -1.927 165 1HD1 LEU 19 1HD1 LEU 19 2.058 4.271 -2.501 166 2HD1 LEU 19 2HD1 LEU 19 2.946 2.838 -3.008 167 3HD1 LEU 19 3HD1 LEU 19 2.534 4.085 -4.190 168 1HD2 LEU 19 1HD2 LEU 19 5.066 4.977 -4.780 169 2HD2 LEU 19 2HD2 LEU 19 5.009 3.271 -4.315 170 3HD2 LEU 19 3HD2 LEU 19 6.162 4.358 -3.534 171 HA PRO 20 HA PRO 20 5.564 10.913 -1.654 172 1HB PRO 20 2HB PRO 20 7.058 11.810 -3.943 173 2HB PRO 20 1HB PRO 20 7.609 11.675 -2.268 174 1HG PRO 20 2HG PRO 20 8.481 10.139 -4.403 175 2HG PRO 20 1HG PRO 20 8.711 9.764 -2.686 176 1HD PRO 20 2HD PRO 20 6.766 8.613 -4.625 177 2HD PRO 20 1HD PRO 20 7.510 7.877 -3.189 178 H ASN 21 H ASN 21 4.591 9.481 -4.648 179 HA ASN 21 HA ASN 21 3.303 11.959 -5.568 180 1HB ASN 21 2HB ASN 21 3.884 9.339 -6.888 181 2HB ASN 21 1HB ASN 21 2.804 10.514 -7.613 182 1HD2 ASN 21 1HD2 ASN 21 5.717 9.559 -8.238 183 2HD2 ASN 21 2HD2 ASN 21 6.557 11.014 -8.446 184 H LEU 22 H LEU 22 2.300 10.418 -3.276 185 HA LEU 22 HA LEU 22 -0.444 10.007 -4.281 186 1HB LEU 22 2HB LEU 22 1.074 8.311 -2.298 187 2HB LEU 22 1HB LEU 22 -0.684 8.238 -2.499 188 HG LEU 22 HG LEU 22 1.171 7.943 -4.860 189 1HD1 LEU 22 1HD1 LEU 22 1.165 6.207 -2.683 190 2HD1 LEU 22 2HD1 LEU 22 1.705 5.845 -4.321 191 3HD1 LEU 22 3HD1 LEU 22 0.058 5.456 -3.831 192 1HD2 LEU 22 1HD2 LEU 22 -0.786 7.769 -5.941 193 2HD2 LEU 22 2HD2 LEU 22 -1.656 8.021 -4.420 194 3HD2 LEU 22 3HD2 LEU 22 -1.215 6.385 -4.923 195 H ASN 23 H ASN 23 -2.078 10.685 -2.995 196 HA ASN 23 HA ASN 23 -1.367 12.606 -0.905 197 1HB ASN 23 2HB ASN 23 -3.995 12.641 -0.740 198 2HB ASN 23 1HB ASN 23 -3.204 13.430 -2.099 199 1HD2 ASN 23 1HD2 ASN 23 -3.091 12.130 -4.175 200 2HD2 ASN 23 2HD2 ASN 23 -4.314 10.990 -4.480 201 H SER 24 H SER 24 -2.130 12.326 1.266 202 HA SER 24 HA SER 24 -1.460 9.898 2.350 203 1HB SER 24 2HB SER 24 -3.458 11.824 3.494 204 2HB SER 24 1HB SER 24 -2.572 10.570 4.374 205 HG SER 24 HG SER 24 -0.647 11.649 3.789 206 H LEU 25 H LEU 25 -4.603 10.935 1.130 207 HA LEU 25 HA LEU 25 -6.161 8.815 2.160 208 1HB LEU 25 2HB LEU 25 -6.432 10.453 -0.360 209 2HB LEU 25 1HB LEU 25 -7.642 9.312 0.199 210 HG LEU 25 HG LEU 25 -7.840 10.622 2.324 211 1HD1 LEU 25 1HD1 LEU 25 -5.781 12.316 0.913 212 2HD1 LEU 25 2HD1 LEU 25 -5.838 11.826 2.607 213 3HD1 LEU 25 3HD1 LEU 25 -6.941 13.066 2.010 214 1HD2 LEU 25 1HD2 LEU 25 -9.519 11.177 0.825 215 2HD2 LEU 25 2HD2 LEU 25 -8.373 11.737 -0.398 216 3HD2 LEU 25 3HD2 LEU 25 -8.729 12.746 1.009 217 H GLN 26 H GLN 26 -4.459 9.177 -0.968 218 HA GLN 26 HA GLN 26 -5.178 6.634 -1.930 219 1HB GLN 26 2HB GLN 26 -2.969 8.519 -2.553 220 2HB GLN 26 1HB GLN 26 -3.073 6.957 -3.333 221 1HG GLN 26 2HG GLN 26 -5.403 8.871 -3.234 222 2HG GLN 26 1HG GLN 26 -4.212 8.929 -4.538 223 1HE2 GLN 26 1HE2 GLN 26 -3.752 6.376 -5.280 224 2HE2 GLN 26 2HE2 GLN 26 -5.184 5.556 -5.675 225 H VAL 27 H VAL 27 -2.432 7.916 -0.233 226 HA VAL 27 HA VAL 27 -0.805 5.668 -0.070 227 HB VAL 27 HB VAL 27 -1.296 8.100 1.640 228 1HG1 VAL 27 1HG1 VAL 27 0.265 5.726 2.385 229 2HG1 VAL 27 2HG1 VAL 27 -0.431 7.011 3.389 230 3HG1 VAL 27 3HG1 VAL 27 1.102 7.271 2.554 231 1HG2 VAL 27 1HG2 VAL 27 0.799 7.207 -0.322 232 2HG2 VAL 27 2HG2 VAL 27 1.180 8.439 0.879 233 3HG2 VAL 27 3HG2 VAL 27 -0.116 8.714 -0.284 234 H VAL 28 H VAL 28 -3.423 6.865 1.912 235 HA VAL 28 HA VAL 28 -3.374 4.688 3.766 236 HB VAL 28 HB VAL 28 -5.462 6.806 3.376 237 1HG1 VAL 28 1HG1 VAL 28 -4.917 4.791 5.595 238 2HG1 VAL 28 2HG1 VAL 28 -6.317 4.755 4.509 239 3HG1 VAL 28 3HG1 VAL 28 -6.133 6.073 5.673 240 1HG2 VAL 28 1HG2 VAL 28 -4.136 8.100 4.729 241 2HG2 VAL 28 2HG2 VAL 28 -2.837 7.024 4.190 242 3HG2 VAL 28 3HG2 VAL 28 -3.659 6.719 5.722 243 H ALA 29 H ALA 29 -5.075 5.461 0.893 244 HA ALA 29 HA ALA 29 -7.196 3.675 0.891 245 1HB ALA 29 1HB ALA 29 -6.470 5.468 -0.837 246 2HB ALA 29 2HB ALA 29 -7.192 3.976 -1.443 247 3HB ALA 29 3HB ALA 29 -5.438 4.196 -1.505 248 H PHE 30 H PHE 30 -3.812 3.363 0.165 249 HA PHE 30 HA PHE 30 -3.943 0.697 -0.713 250 1HB PHE 30 2HB PHE 30 -1.811 2.623 0.062 251 2HB PHE 30 1HB PHE 30 -1.452 0.930 -0.188 252 HD1 PHE 30 1HD PHE 30 -2.475 -0.173 -2.331 253 HD2 PHE 30 2HD PHE 30 -1.861 4.020 -1.773 254 HE1 PHE 30 1HE PHE 30 -2.622 0.176 -4.760 255 HE2 PHE 30 2HE PHE 30 -2.080 4.392 -4.158 256 HZ PHE 30 HZ PHE 30 -2.454 2.467 -5.704 257 H ILE 31 H ILE 31 -3.275 2.375 2.378 258 HA ILE 31 HA ILE 31 -2.389 0.088 3.787 259 HB ILE 31 HB ILE 31 -4.253 2.213 4.912 260 1HG1 ILE 31 2HG1 ILE 31 -1.230 2.154 5.022 261 2HG1 ILE 31 1HG1 ILE 31 -2.150 3.168 3.916 262 1HG2 ILE 31 1HG2 ILE 31 -4.071 0.246 6.347 263 2HG2 ILE 31 2HG2 ILE 31 -3.155 1.569 7.065 264 3HG2 ILE 31 3HG2 ILE 31 -2.311 0.277 6.214 265 1HD1 ILE 31 1HD1 ILE 31 -1.536 3.680 6.664 266 2HD1 ILE 31 2HD1 ILE 31 -3.281 3.468 6.528 267 3HD1 ILE 31 3HD1 ILE 31 -2.466 4.687 5.559 268 H ASN 32 H ASN 32 -5.512 1.368 2.902 269 HA ASN 32 HA ASN 32 -7.137 -0.521 4.281 270 1HB ASN 32 2HB ASN 32 -7.502 1.559 2.177 271 2HB ASN 32 1HB ASN 32 -8.792 0.380 2.409 272 1HD2 ASN 32 1HD2 ASN 32 -6.749 2.693 4.260 273 2HD2 ASN 32 2HD2 ASN 32 -7.933 3.037 5.427 274 H SER 33 H SER 33 -5.808 -0.449 0.983 275 HA SER 33 HA SER 33 -7.310 -2.641 0.027 276 1HB SER 33 2HB SER 33 -4.579 -1.723 -0.866 277 2HB SER 33 1HB SER 33 -5.725 -2.698 -1.782 278 HG SER 33 HG SER 33 -5.567 -0.177 -1.918 279 H LEU 34 H LEU 34 -4.265 -2.381 1.779 280 HA LEU 34 HA LEU 34 -3.299 -5.014 1.412 281 1HB LEU 34 2HB LEU 34 -2.984 -3.705 4.097 282 2HB LEU 34 1HB LEU 34 -1.846 -4.704 3.204 283 HG LEU 34 HG LEU 34 -2.567 -1.829 2.713 284 1HD1 LEU 34 1HD1 LEU 34 -0.879 -1.945 4.336 285 2HD1 LEU 34 2HD1 LEU 34 -0.007 -1.685 2.823 286 3HD1 LEU 34 3HD1 LEU 34 -0.085 -3.296 3.528 287 1HD2 LEU 34 1HD2 LEU 34 -0.653 -2.224 0.902 288 2HD2 LEU 34 2HD2 LEU 34 -2.354 -2.459 0.503 289 3HD2 LEU 34 3HD2 LEU 34 -1.344 -3.845 0.896 290 H ARG 35 H ARG 35 -5.418 -3.720 3.958 291 HA ARG 35 HA ARG 35 -5.753 -6.263 5.239 292 1HB ARG 35 2HB ARG 35 -7.521 -5.139 6.550 293 2HB ARG 35 1HB ARG 35 -6.009 -4.246 6.518 294 1HG ARG 35 2HG ARG 35 -6.893 -2.780 4.750 295 2HG ARG 35 1HG ARG 35 -8.424 -3.655 4.789 296 1HD ARG 35 2HD ARG 35 -8.662 -3.024 7.197 297 2HD ARG 35 1HD ARG 35 -7.184 -2.074 7.064 298 HE ARG 35 HE ARG 35 -8.500 -0.403 6.169 299 1HH1 ARG 35 1HH1 ARG 35 -11.038 -1.921 6.957 300 2HH1 ARG 35 2HH1 ARG 35 -11.892 -1.954 5.452 301 1HH2 ARG 35 1HH2 ARG 35 -9.119 -1.126 3.561 302 2HH2 ARG 35 2HH2 ARG 35 -10.806 -1.505 3.531 303 H ASP 36 H ASP 36 -7.460 -4.469 2.788 304 HA ASP 36 HA ASP 36 -9.795 -6.090 2.686 305 1HB ASP 36 2HB ASP 36 -8.445 -4.298 0.639 306 2HB ASP 36 1HB ASP 36 -9.986 -5.102 0.355 307 H ASP 37 H ASP 37 -6.529 -6.443 1.751 308 HA ASP 37 HA ASP 37 -6.852 -9.166 0.954 309 1HB ASP 37 2HB ASP 37 -7.714 -7.854 -1.063 310 2HB ASP 37 1HB ASP 37 -6.058 -7.321 -1.295 311 HA PRO 38 HA PRO 38 -2.621 -8.132 2.370 312 1HB PRO 38 2HB PRO 38 -2.329 -10.863 3.238 313 2HB PRO 38 1HB PRO 38 -2.457 -9.398 4.220 314 1HG PRO 38 2HG PRO 38 -4.366 -11.402 3.990 315 2HG PRO 38 1HG PRO 38 -4.588 -9.795 4.681 316 1HD PRO 38 2HD PRO 38 -5.515 -10.840 2.081 317 2HD PRO 38 1HD PRO 38 -6.116 -9.459 3.024 318 H SER 39 H SER 39 -3.736 -10.899 0.506 319 HA SER 39 HA SER 39 -1.242 -11.803 -0.470 320 1HB SER 39 2HB SER 39 -3.893 -11.959 -1.923 321 2HB SER 39 1HB SER 39 -2.501 -13.018 -2.116 322 HG SER 39 HG SER 39 -4.194 -12.727 0.143 323 H GLN 40 H GLN 40 -3.430 -9.244 -1.362 324 HA GLN 40 HA GLN 40 -1.965 -8.634 -3.791 325 1HB GLN 40 2HB GLN 40 -4.405 -7.400 -2.519 326 2HB GLN 40 1HB GLN 40 -3.660 -6.774 -3.987 327 1HG GLN 40 2HG GLN 40 -4.542 -9.658 -3.701 328 2HG GLN 40 1HG GLN 40 -5.595 -8.398 -4.342 329 1HE2 GLN 40 1HE2 GLN 40 -4.545 -7.098 -6.248 330 2HE2 GLN 40 2HE2 GLN 40 -3.618 -7.998 -7.349 331 H SER 41 H SER 41 -1.378 -8.038 -0.608 332 HA SER 41 HA SER 41 -0.863 -5.300 -0.407 333 1HB SER 41 2HB SER 41 0.649 -7.623 0.809 334 2HB SER 41 1HB SER 41 0.877 -5.950 1.289 335 HG SER 41 HG SER 41 -0.765 -7.462 2.387 336 H ALA 42 H ALA 42 0.818 -7.877 -1.947 337 HA ALA 42 HA ALA 42 3.247 -6.590 -2.611 338 1HB ALA 42 1HB ALA 42 3.579 -8.500 -4.050 339 2HB ALA 42 2HB ALA 42 1.845 -8.853 -4.025 340 3HB ALA 42 3HB ALA 42 2.817 -9.067 -2.561 341 H ASN 43 H ASN 43 0.185 -7.101 -4.216 342 HA ASN 43 HA ASN 43 0.862 -6.046 -6.779 343 1HB ASN 43 2HB ASN 43 -1.632 -6.661 -5.256 344 2HB ASN 43 1HB ASN 43 -1.684 -5.986 -6.882 345 1HD2 ASN 43 1HD2 ASN 43 -0.377 -8.779 -5.035 346 2HD2 ASN 43 2HD2 ASN 43 -0.377 -9.850 -6.353 347 H LEU 44 H LEU 44 -0.568 -4.908 -3.865 348 HA LEU 44 HA LEU 44 -1.704 -2.564 -4.807 349 1HB LEU 44 2HB LEU 44 -0.908 -3.496 -2.093 350 2HB LEU 44 1HB LEU 44 -1.765 -1.983 -2.351 351 HG LEU 44 HG LEU 44 -2.724 -4.538 -3.617 352 1HD1 LEU 44 1HD1 LEU 44 -4.383 -4.683 -1.737 353 2HD1 LEU 44 2HD1 LEU 44 -3.383 -3.534 -0.854 354 3HD1 LEU 44 3HD1 LEU 44 -2.735 -5.106 -1.301 355 1HD2 LEU 44 1HD2 LEU 44 -4.019 -1.922 -2.892 356 2HD2 LEU 44 2HD2 LEU 44 -4.861 -3.308 -3.595 357 3HD2 LEU 44 3HD2 LEU 44 -3.595 -2.493 -4.514 358 H LEU 45 H LEU 45 1.563 -3.038 -3.451 359 HA LEU 45 HA LEU 45 2.000 -0.176 -3.596 360 1HB LEU 45 2HB LEU 45 4.548 -1.429 -4.031 361 2HB LEU 45 1HB LEU 45 4.028 -0.453 -2.677 362 HG LEU 45 HG LEU 45 4.838 -2.582 -1.909 363 1HD1 LEU 45 1HD1 LEU 45 1.833 -2.465 -1.714 364 2HD1 LEU 45 2HD1 LEU 45 2.959 -1.558 -0.718 365 3HD1 LEU 45 3HD1 LEU 45 2.912 -3.316 -0.624 366 1HD2 LEU 45 1HD2 LEU 45 2.734 -4.217 -3.083 367 2HD2 LEU 45 2HD2 LEU 45 4.462 -4.512 -2.988 368 3HD2 LEU 45 3HD2 LEU 45 3.803 -3.507 -4.286 369 H ALA 46 H ALA 46 2.182 -2.925 -5.661 370 HA ALA 46 HA ALA 46 3.612 -1.848 -7.852 371 1HB ALA 46 1HB ALA 46 3.021 -3.797 -8.873 372 2HB ALA 46 2HB ALA 46 1.310 -3.563 -8.504 373 3HB ALA 46 3HB ALA 46 2.389 -4.245 -7.288 374 H GLU 47 H GLU 47 0.241 -1.866 -6.894 375 HA GLU 47 HA GLU 47 -0.861 -0.421 -9.084 376 1HB GLU 47 2HB GLU 47 -1.606 -1.386 -6.386 377 2HB GLU 47 1HB GLU 47 -2.465 0.063 -6.911 378 1HG GLU 47 2HG GLU 47 -3.537 -1.021 -8.636 379 2HG GLU 47 1HG GLU 47 -2.245 -2.204 -8.846 380 H ALA 48 H ALA 48 0.136 0.307 -5.843 381 HA ALA 48 HA ALA 48 -0.363 3.040 -5.726 382 1HB ALA 48 1HB ALA 48 1.929 1.796 -4.295 383 2HB ALA 48 2HB ALA 48 0.285 1.312 -3.900 384 3HB ALA 48 3HB ALA 48 0.767 2.992 -3.721 385 H LYS 49 H LYS 49 2.568 1.279 -6.609 386 HA LYS 49 HA LYS 49 4.188 3.570 -7.099 387 1HB LYS 49 2HB LYS 49 4.268 0.732 -8.168 388 2HB LYS 49 1HB LYS 49 5.463 1.948 -8.622 389 1HG LYS 49 2HG LYS 49 6.115 2.251 -6.292 390 2HG LYS 49 1HG LYS 49 4.852 1.155 -5.751 391 1HD LYS 49 2HD LYS 49 5.961 -0.641 -7.186 392 2HD LYS 49 1HD LYS 49 7.310 0.477 -7.385 393 1HE LYS 49 2HE LYS 49 7.380 0.618 -4.822 394 2HE LYS 49 1HE LYS 49 6.294 -0.773 -4.821 395 1HZ LYS 49 1HZ LYS 49 8.022 -1.804 -6.379 396 2HZ LYS 49 2HZ LYS 49 8.388 -1.716 -4.722 397 3HZ LYS 49 3HZ LYS 49 9.068 -0.599 -5.807 398 H LYS 50 H LYS 50 1.789 1.771 -8.936 399 HA LYS 50 HA LYS 50 2.212 3.093 -11.447 400 1HB LYS 50 2HB LYS 50 0.756 0.902 -10.624 401 2HB LYS 50 1HB LYS 50 -0.509 2.099 -10.852 402 1HG LYS 50 2HG LYS 50 -0.429 1.656 -13.060 403 2HG LYS 50 1HG LYS 50 1.168 2.395 -13.096 404 1HD LYS 50 2HD LYS 50 1.411 0.190 -14.023 405 2HD LYS 50 1HD LYS 50 2.119 0.138 -12.410 406 1HE LYS 50 2HE LYS 50 0.223 -0.997 -11.502 407 2HE LYS 50 1HE LYS 50 -0.763 -0.643 -12.922 408 1HZ LYS 50 1HZ LYS 50 0.127 -2.947 -12.821 409 2HZ LYS 50 2HZ LYS 50 1.691 -2.307 -12.997 410 3HZ LYS 50 3HZ LYS 50 0.542 -2.105 -14.233 411 H LEU 51 H LEU 51 0.233 3.580 -8.598 412 HA LEU 51 HA LEU 51 -1.411 5.703 -9.518 413 1HB LEU 51 2HB LEU 51 -0.661 4.505 -6.916 414 2HB LEU 51 1HB LEU 51 -1.239 6.144 -6.884 415 HG LEU 51 HG LEU 51 -3.004 4.440 -6.526 416 1HD1 LEU 51 1HD1 LEU 51 -3.410 6.753 -7.358 417 2HD1 LEU 51 2HD1 LEU 51 -4.630 5.584 -7.889 418 3HD1 LEU 51 3HD1 LEU 51 -3.379 6.119 -9.011 419 1HD2 LEU 51 1HD2 LEU 51 -3.794 3.428 -8.847 420 2HD2 LEU 51 2HD2 LEU 51 -2.567 2.600 -7.881 421 3HD2 LEU 51 3HD2 LEU 51 -2.087 3.592 -9.258 422 H ASN 52 H ASN 52 1.641 5.485 -7.798 423 HA ASN 52 HA ASN 52 2.049 8.178 -7.251 424 1HB ASN 52 2HB ASN 52 3.526 6.933 -6.066 425 2HB ASN 52 1HB ASN 52 3.516 5.642 -7.257 426 1HD2 ASN 52 1HD2 ASN 52 5.338 8.213 -5.998 427 2HD2 ASN 52 2HD2 ASN 52 6.573 8.220 -7.160 428 H ASP 53 H ASP 53 3.064 6.120 -9.917 429 HA ASP 53 HA ASP 53 4.337 8.161 -11.381 430 1HB ASP 53 2HB ASP 53 3.285 5.444 -12.160 431 2HB ASP 53 1HB ASP 53 4.187 6.480 -13.264 432 H ALA 54 H ALA 54 1.107 6.815 -11.285 433 HA ALA 54 HA ALA 54 0.123 8.033 -13.691 434 1HB ALA 54 1HB ALA 54 -1.280 6.945 -11.271 435 2HB ALA 54 2HB ALA 54 -0.885 6.049 -12.743 436 3HB ALA 54 3HB ALA 54 -2.072 7.353 -12.792 437 H GLN 55 H GLN 55 -0.154 8.913 -10.258 438 HA GLN 55 HA GLN 55 -1.908 11.137 -10.844 439 1HB GLN 55 2HB GLN 55 -0.539 10.190 -8.328 440 2HB GLN 55 1HB GLN 55 -1.593 11.601 -8.392 441 1HG GLN 55 2HG GLN 55 -3.440 10.187 -9.223 442 2HG GLN 55 1HG GLN 55 -2.388 8.773 -9.147 443 1HE2 GLN 55 1HE2 GLN 55 -1.386 10.591 -6.574 444 2HE2 GLN 55 2HE2 GLN 55 -2.394 9.928 -5.374 445 H ALA 56 H ALA 56 1.375 10.697 -9.644 446 HA ALA 56 HA ALA 56 3.069 12.270 -9.258 447 1HB ALA 56 1HB ALA 56 3.150 11.725 -11.721 448 2HB ALA 56 2HB ALA 56 3.842 13.290 -11.292 449 3HB ALA 56 3HB ALA 56 2.234 13.204 -12.014 450 HA PRO 57 HA PRO 57 -0.461 15.186 -7.915 451 1HB PRO 57 2HB PRO 57 1.238 15.729 -5.638 452 2HB PRO 57 1HB PRO 57 -0.321 14.884 -5.688 453 1HG PRO 57 2HG PRO 57 2.407 13.798 -5.705 454 2HG PRO 57 1HG PRO 57 0.890 13.050 -5.176 455 1HD PRO 57 2HD PRO 57 2.087 12.266 -7.447 456 2HD PRO 57 1HD PRO 57 0.318 12.366 -7.347 457 H LYS 58 H LYS 58 -0.458 17.055 -8.892 458 HA LYS 58 HA LYS 58 1.752 18.510 -9.826 459 1HB LYS 58 2HB LYS 58 -1.056 19.478 -9.215 460 2HB LYS 58 1HB LYS 58 0.141 20.375 -10.151 461 1HG LYS 58 2HG LYS 58 0.271 18.449 -11.746 462 2HG LYS 58 1HG LYS 58 -1.029 17.663 -10.849 463 1HD LYS 58 2HD LYS 58 -2.464 19.682 -11.271 464 2HD LYS 58 1HD LYS 58 -1.183 20.325 -12.297 465 1HE LYS 58 2HE LYS 58 -2.359 19.238 -13.938 466 2HE LYS 58 1HE LYS 58 -1.419 17.855 -13.380 467 1HZ LYS 58 1HZ LYS 58 -3.367 17.632 -11.696 468 2HZ LYS 58 2HZ LYS 58 -3.540 17.039 -13.278 469 3HZ LYS 58 3HZ LYS 58 -4.228 18.531 -12.847 Start of MODEL 32 1 1H VAL 1 1HT VAL 1 -0.090 -10.842 19.671 2 2H VAL 1 2HT VAL 1 -0.906 -10.206 18.323 3 3H VAL 1 3HT VAL 1 0.315 -9.302 19.086 4 HA VAL 1 HA VAL 1 2.013 -10.643 18.288 5 HB VAL 1 HB VAL 1 0.864 -12.777 18.897 6 1HG1 VAL 1 1HG1 VAL 1 -0.516 -12.537 16.205 7 2HG1 VAL 1 2HG1 VAL 1 -1.309 -12.181 17.740 8 3HG1 VAL 1 3HG1 VAL 1 -0.725 -13.811 17.408 9 1HG2 VAL 1 1HG2 VAL 1 1.809 -12.843 16.014 10 2HG2 VAL 1 2HG2 VAL 1 1.934 -14.125 17.218 11 3HG2 VAL 1 3HG2 VAL 1 2.909 -12.665 17.382 12 H ASP 2 H ASP 2 2.822 -10.585 16.139 13 HA ASP 2 HA ASP 2 1.343 -8.833 14.377 14 1HB ASP 2 2HB ASP 2 3.822 -8.670 14.747 15 2HB ASP 2 1HB ASP 2 4.004 -10.206 13.902 16 H ASN 3 H ASN 3 -0.210 -9.640 13.136 17 HA ASN 3 HA ASN 3 -0.370 -12.402 12.363 18 1HB ASN 3 2HB ASN 3 -1.974 -10.030 11.368 19 2HB ASN 3 1HB ASN 3 -2.410 -11.732 11.210 20 1HD2 ASN 3 1HD2 ASN 3 -3.484 -9.231 12.865 21 2HD2 ASN 3 2HD2 ASN 3 -3.776 -9.921 14.389 22 H LYS 4 H LYS 4 -0.777 -12.982 10.003 23 HA LYS 4 HA LYS 4 1.510 -12.470 8.445 24 1HB LYS 4 2HB LYS 4 -1.154 -13.277 7.328 25 2HB LYS 4 1HB LYS 4 0.429 -13.615 6.652 26 1HG LYS 4 2HG LYS 4 -0.577 -14.718 9.299 27 2HG LYS 4 1HG LYS 4 -0.540 -15.612 7.782 28 1HD LYS 4 2HD LYS 4 1.943 -15.224 7.677 29 2HD LYS 4 1HD LYS 4 1.853 -14.499 9.283 30 1HE LYS 4 2HE LYS 4 0.888 -17.304 8.659 31 2HE LYS 4 1HE LYS 4 2.497 -16.942 9.281 32 1HZ LYS 4 1HZ LYS 4 1.331 -15.739 11.136 33 2HZ LYS 4 2HZ LYS 4 1.163 -17.430 11.139 34 3HZ LYS 4 3HZ LYS 4 -0.112 -16.449 10.594 35 H PHE 5 H PHE 5 -1.640 -11.024 8.588 36 HA PHE 5 HA PHE 5 -1.593 -9.407 6.299 37 1HB PHE 5 2HB PHE 5 -2.825 -9.103 9.031 38 2HB PHE 5 1HB PHE 5 -2.949 -7.840 7.822 39 HD1 PHE 5 1HD PHE 5 -3.013 -11.556 7.288 40 HD2 PHE 5 2HD PHE 5 -5.217 -7.847 7.304 41 HE1 PHE 5 1HE PHE 5 -4.998 -12.696 6.301 42 HE2 PHE 5 2HE PHE 5 -7.173 -8.989 6.319 43 HZ PHE 5 HZ PHE 5 -7.066 -11.396 5.814 44 H ASN 6 H ASN 6 -0.814 -8.639 9.665 45 HA ASN 6 HA ASN 6 0.139 -6.060 9.301 46 1HB ASN 6 2HB ASN 6 1.036 -8.098 11.333 47 2HB ASN 6 1HB ASN 6 1.259 -6.357 11.448 48 1HD2 ASN 6 1HD2 ASN 6 -0.340 -8.177 13.244 49 2HD2 ASN 6 2HD2 ASN 6 -1.915 -7.549 13.229 50 H LYS 7 H LYS 7 1.940 -9.135 9.342 51 HA LYS 7 HA LYS 7 4.485 -8.040 8.996 52 1HB LYS 7 2HB LYS 7 3.971 -10.394 9.642 53 2HB LYS 7 1HB LYS 7 3.524 -10.708 7.974 54 1HG LYS 7 2HG LYS 7 5.744 -11.370 7.916 55 2HG LYS 7 1HG LYS 7 5.936 -9.672 7.492 56 1HD LYS 7 2HD LYS 7 6.018 -10.568 10.380 57 2HD LYS 7 1HD LYS 7 7.455 -10.653 9.366 58 1HE LYS 7 2HE LYS 7 7.818 -8.500 9.962 59 2HE LYS 7 1HE LYS 7 6.500 -8.092 8.864 60 1HZ LYS 7 1HZ LYS 7 6.432 -8.431 11.792 61 2HZ LYS 7 2HZ LYS 7 5.017 -8.631 10.873 62 3HZ LYS 7 3HZ LYS 7 5.845 -7.147 10.853 63 H GLU 8 H GLU 8 2.067 -9.145 6.623 64 HA GLU 8 HA GLU 8 3.734 -8.538 4.347 65 1HB GLU 8 2HB GLU 8 1.775 -10.148 4.405 66 2HB GLU 8 1HB GLU 8 0.712 -8.744 4.471 67 1HG GLU 8 2HG GLU 8 0.898 -9.409 2.164 68 2HG GLU 8 1HG GLU 8 1.778 -7.903 2.372 69 H ARG 9 H ARG 9 1.377 -6.868 6.273 70 HA ARG 9 HA ARG 9 1.029 -4.602 4.642 71 1HB ARG 9 2HB ARG 9 0.361 -5.250 7.486 72 2HB ARG 9 1HB ARG 9 0.153 -3.614 6.870 73 1HG ARG 9 2HG ARG 9 -1.407 -4.293 5.250 74 2HG ARG 9 1HG ARG 9 -0.967 -5.989 5.375 75 1HD ARG 9 2HD ARG 9 -3.078 -5.702 6.483 76 2HD ARG 9 1HD ARG 9 -1.862 -5.946 7.733 77 HE ARG 9 HE ARG 9 -1.884 -3.473 8.043 78 1HH1 ARG 9 1HH1 ARG 9 -3.535 -2.679 5.702 79 2HH1 ARG 9 2HH1 ARG 9 -5.110 -2.479 6.392 80 1HH2 ARG 9 1HH2 ARG 9 -4.353 -4.231 9.281 81 2HH2 ARG 9 2HH2 ARG 9 -5.573 -3.355 8.419 82 H VAL 10 H VAL 10 3.335 -5.387 7.180 83 HA VAL 10 HA VAL 10 4.233 -2.768 7.719 84 HB VAL 10 HB VAL 10 6.033 -5.204 7.670 85 1HG1 VAL 10 1HG1 VAL 10 6.223 -2.862 9.559 86 2HG1 VAL 10 2HG1 VAL 10 6.866 -2.720 7.918 87 3HG1 VAL 10 3HG1 VAL 10 7.493 -3.959 9.016 88 1HG2 VAL 10 1HG2 VAL 10 5.366 -4.870 10.313 89 2HG2 VAL 10 2HG2 VAL 10 4.667 -6.083 9.242 90 3HG2 VAL 10 3HG2 VAL 10 3.826 -4.551 9.515 91 H ILE 11 H ILE 11 5.272 -5.276 5.595 92 HA ILE 11 HA ILE 11 7.373 -3.984 4.299 93 HB ILE 11 HB ILE 11 5.476 -6.139 3.336 94 1HG1 ILE 11 2HG1 ILE 11 8.199 -6.501 4.619 95 2HG1 ILE 11 1HG1 ILE 11 6.703 -6.526 5.559 96 1HG2 ILE 11 1HG2 ILE 11 8.309 -5.557 2.449 97 2HG2 ILE 11 2HG2 ILE 11 6.869 -5.055 1.557 98 3HG2 ILE 11 3HG2 ILE 11 7.210 -6.778 1.797 99 1HD1 ILE 11 1HD1 ILE 11 7.656 -8.786 4.654 100 2HD1 ILE 11 2HD1 ILE 11 6.981 -8.262 3.109 101 3HD1 ILE 11 3HD1 ILE 11 5.924 -8.477 4.510 102 H ALA 12 H ALA 12 3.997 -4.448 3.463 103 HA ALA 12 HA ALA 12 4.043 -3.000 1.037 104 1HB ALA 12 1HB ALA 12 2.415 -4.586 1.192 105 2HB ALA 12 2HB ALA 12 1.495 -3.113 1.506 106 3HB ALA 12 3HB ALA 12 1.994 -4.154 2.855 107 H ILE 13 H ILE 13 2.777 -2.107 4.279 108 HA ILE 13 HA ILE 13 1.815 0.423 3.508 109 HB ILE 13 HB ILE 13 1.314 -0.781 5.695 110 1HG1 ILE 13 2HG1 ILE 13 1.941 2.070 5.274 111 2HG1 ILE 13 1HG1 ILE 13 0.467 1.328 5.875 112 1HG2 ILE 13 1HG2 ILE 13 3.885 0.442 6.722 113 2HG2 ILE 13 2HG2 ILE 13 3.862 -1.189 6.084 114 3HG2 ILE 13 3HG2 ILE 13 2.870 -0.787 7.474 115 1HD1 ILE 13 1HD1 ILE 13 1.389 2.621 7.674 116 2HD1 ILE 13 2HD1 ILE 13 2.996 1.934 7.412 117 3HD1 ILE 13 3HD1 ILE 13 1.695 0.924 8.052 118 H GLY 14 H GLY 14 4.879 -0.812 4.582 119 1HA GLY 14 2HA GLY 14 6.247 1.618 4.857 120 2HA GLY 14 1HA GLY 14 6.987 0.018 4.652 121 H GLU 15 H GLU 15 5.639 -0.638 2.162 122 HA GLU 15 HA GLU 15 7.404 0.626 0.307 123 1HB GLU 15 2HB GLU 15 4.998 -1.167 -0.040 124 2HB GLU 15 1HB GLU 15 5.963 -0.595 -1.393 125 1HG GLU 15 2HG GLU 15 7.554 -1.800 0.769 126 2HG GLU 15 1HG GLU 15 6.407 -2.919 0.017 127 H ILE 16 H ILE 16 3.932 0.718 0.892 128 HA ILE 16 HA ILE 16 3.367 2.556 -1.140 129 HB ILE 16 HB ILE 16 1.810 1.340 1.079 130 1HG1 ILE 16 2HG1 ILE 16 1.422 1.352 -1.914 131 2HG1 ILE 16 1HG1 ILE 16 2.539 0.256 -1.122 132 1HG2 ILE 16 1HG2 ILE 16 1.112 3.888 0.294 133 2HG2 ILE 16 2HG2 ILE 16 -0.028 2.660 0.831 134 3HG2 ILE 16 3HG2 ILE 16 0.251 2.914 -0.903 135 1HD1 ILE 16 1HD1 ILE 16 0.107 0.109 0.310 136 2HD1 ILE 16 2HD1 ILE 16 0.829 -1.120 -0.719 137 3HD1 ILE 16 3HD1 ILE 16 -0.294 0.047 -1.410 138 H MET 17 H MET 17 3.839 2.965 2.317 139 HA MET 17 HA MET 17 3.061 5.678 2.458 140 1HB MET 17 2HB MET 17 4.846 3.956 4.195 141 2HB MET 17 1HB MET 17 4.495 5.649 4.578 142 1HG MET 17 2HG MET 17 2.334 3.581 4.076 143 2HG MET 17 1HG MET 17 2.947 3.954 5.684 144 1HE MET 17 1HE MET 17 0.142 4.027 5.540 145 2HE MET 17 2HE MET 17 -0.018 4.289 3.808 146 3HE MET 17 3HE MET 17 -0.748 5.434 4.936 147 H ARG 18 H ARG 18 5.875 4.159 1.168 148 HA ARG 18 HA ARG 18 7.731 6.322 1.406 149 1HB ARG 18 2HB ARG 18 8.420 3.990 1.073 150 2HB ARG 18 1HB ARG 18 7.592 3.955 -0.478 151 1HG ARG 18 2HG ARG 18 9.098 5.831 -1.240 152 2HG ARG 18 1HG ARG 18 10.013 5.620 0.258 153 1HD ARG 18 2HD ARG 18 9.504 3.482 -1.824 154 2HD ARG 18 1HD ARG 18 11.023 4.347 -1.607 155 HE ARG 18 HE ARG 18 10.844 3.316 0.792 156 1HH1 ARG 18 1HH1 ARG 18 8.621 1.694 -0.964 157 2HH1 ARG 18 2HH1 ARG 18 9.406 0.150 -0.963 158 1HH2 ARG 18 1HH2 ARG 18 12.399 1.380 0.263 159 2HH2 ARG 18 2HH2 ARG 18 11.541 -0.027 -0.270 160 H LEU 19 H LEU 19 5.330 5.301 -0.911 161 HA LEU 19 HA LEU 19 5.944 6.614 -3.211 162 1HB LEU 19 2HB LEU 19 3.180 6.378 -2.042 163 2HB LEU 19 1HB LEU 19 3.604 6.502 -3.751 164 HG LEU 19 HG LEU 19 4.488 4.257 -1.907 165 1HD1 LEU 19 1HD1 LEU 19 2.905 2.858 -2.979 166 2HD1 LEU 19 2HD1 LEU 19 2.515 4.099 -4.175 167 3HD1 LEU 19 3HD1 LEU 19 2.028 4.307 -2.491 168 1HD2 LEU 19 1HD2 LEU 19 5.054 4.979 -4.756 169 2HD2 LEU 19 2HD2 LEU 19 4.977 3.273 -4.297 170 3HD2 LEU 19 3HD2 LEU 19 6.140 4.346 -3.508 171 HA PRO 20 HA PRO 20 5.725 10.897 -1.736 172 1HB PRO 20 2HB PRO 20 7.164 11.695 -4.100 173 2HB PRO 20 1HB PRO 20 7.769 11.575 -2.442 174 1HG PRO 20 2HG PRO 20 8.521 9.962 -4.561 175 2HG PRO 20 1HG PRO 20 8.770 9.603 -2.844 176 1HD PRO 20 2HD PRO 20 6.718 8.530 -4.722 177 2HD PRO 20 1HD PRO 20 7.488 7.765 -3.315 178 H ASN 21 H ASN 21 4.544 9.473 -4.660 179 HA ASN 21 HA ASN 21 3.275 12.008 -5.492 180 1HB ASN 21 2HB ASN 21 3.976 9.491 -6.918 181 2HB ASN 21 1HB ASN 21 2.754 10.556 -7.586 182 1HD2 ASN 21 1HD2 ASN 21 5.815 9.909 -8.187 183 2HD2 ASN 21 2HD2 ASN 21 6.452 11.458 -8.456 184 H LEU 22 H LEU 22 2.261 10.515 -3.254 185 HA LEU 22 HA LEU 22 -0.465 10.043 -4.263 186 1HB LEU 22 2HB LEU 22 1.062 8.344 -2.286 187 2HB LEU 22 1HB LEU 22 -0.696 8.266 -2.483 188 HG LEU 22 HG LEU 22 1.164 7.967 -4.842 189 1HD1 LEU 22 1HD1 LEU 22 1.196 6.247 -2.684 190 2HD1 LEU 22 2HD1 LEU 22 1.633 5.833 -4.340 191 3HD1 LEU 22 3HD1 LEU 22 0.005 5.506 -3.752 192 1HD2 LEU 22 1HD2 LEU 22 -0.788 7.793 -5.937 193 2HD2 LEU 22 2HD2 LEU 22 -1.665 8.070 -4.423 194 3HD2 LEU 22 3HD2 LEU 22 -1.235 6.424 -4.908 195 H ASN 23 H ASN 23 -2.104 10.695 -2.947 196 HA ASN 23 HA ASN 23 -1.358 12.615 -0.866 197 1HB ASN 23 2HB ASN 23 -3.956 12.770 -0.721 198 2HB ASN 23 1HB ASN 23 -3.161 13.435 -2.143 199 1HD2 ASN 23 1HD2 ASN 23 -3.383 12.272 -4.180 200 2HD2 ASN 23 2HD2 ASN 23 -4.540 11.042 -4.370 201 H SER 24 H SER 24 -2.265 12.353 1.317 202 HA SER 24 HA SER 24 -1.600 9.930 2.432 203 1HB SER 24 2HB SER 24 -2.926 10.572 4.390 204 2HB SER 24 1HB SER 24 -1.886 11.874 3.807 205 HG SER 24 HG SER 24 -4.667 11.528 3.320 206 H LEU 25 H LEU 25 -4.717 10.908 1.121 207 HA LEU 25 HA LEU 25 -6.235 8.757 2.136 208 1HB LEU 25 2HB LEU 25 -6.623 10.157 -0.505 209 2HB LEU 25 1HB LEU 25 -7.827 9.284 0.426 210 HG LEU 25 HG LEU 25 -7.279 11.009 2.312 211 1HD1 LEU 25 1HD1 LEU 25 -6.878 13.256 0.810 212 2HD1 LEU 25 2HD1 LEU 25 -5.842 12.113 -0.040 213 3HD1 LEU 25 3HD1 LEU 25 -5.590 12.424 1.677 214 1HD2 LEU 25 1HD2 LEU 25 -8.827 11.379 -0.225 215 2HD2 LEU 25 2HD2 LEU 25 -8.823 12.671 0.980 216 3HD2 LEU 25 3HD2 LEU 25 -9.431 11.068 1.405 217 H GLN 26 H GLN 26 -4.532 9.163 -0.974 218 HA GLN 26 HA GLN 26 -5.182 6.605 -1.944 219 1HB GLN 26 2HB GLN 26 -2.998 8.526 -2.546 220 2HB GLN 26 1HB GLN 26 -3.079 6.968 -3.333 221 1HG GLN 26 2HG GLN 26 -5.427 8.864 -3.239 222 2HG GLN 26 1HG GLN 26 -4.233 8.920 -4.542 223 1HE2 GLN 26 1HE2 GLN 26 -3.765 6.396 -5.311 224 2HE2 GLN 26 2HE2 GLN 26 -5.190 5.556 -5.690 225 H VAL 27 H VAL 27 -2.468 7.936 -0.225 226 HA VAL 27 HA VAL 27 -0.811 5.712 -0.060 227 HB VAL 27 HB VAL 27 -1.332 8.129 1.666 228 1HG1 VAL 27 1HG1 VAL 27 -0.446 6.999 3.394 229 2HG1 VAL 27 2HG1 VAL 27 1.075 7.346 2.569 230 3HG1 VAL 27 3HG1 VAL 27 0.302 5.774 2.358 231 1HG2 VAL 27 1HG2 VAL 27 1.126 8.519 0.891 232 2HG2 VAL 27 2HG2 VAL 27 -0.176 8.765 -0.272 233 3HG2 VAL 27 3HG2 VAL 27 0.772 7.279 -0.310 234 H VAL 28 H VAL 28 -3.446 6.871 1.918 235 HA VAL 28 HA VAL 28 -3.370 4.690 3.764 236 HB VAL 28 HB VAL 28 -5.480 6.789 3.388 237 1HG1 VAL 28 1HG1 VAL 28 -6.131 6.037 5.688 238 2HG1 VAL 28 2HG1 VAL 28 -4.908 4.764 5.591 239 3HG1 VAL 28 3HG1 VAL 28 -6.314 4.727 4.514 240 1HG2 VAL 28 1HG2 VAL 28 -4.167 8.090 4.745 241 2HG2 VAL 28 2HG2 VAL 28 -2.857 7.032 4.198 242 3HG2 VAL 28 3HG2 VAL 28 -3.671 6.710 5.730 243 H ALA 29 H ALA 29 -5.080 5.445 0.891 244 HA ALA 29 HA ALA 29 -7.187 3.643 0.888 245 1HB ALA 29 1HB ALA 29 -6.490 5.432 -0.848 246 2HB ALA 29 2HB ALA 29 -7.167 3.921 -1.457 247 3HB ALA 29 3HB ALA 29 -5.420 4.184 -1.501 248 H PHE 30 H PHE 30 -3.805 3.358 0.156 249 HA PHE 30 HA PHE 30 -3.903 0.691 -0.713 250 1HB PHE 30 2HB PHE 30 -1.808 2.656 0.056 251 2HB PHE 30 1HB PHE 30 -1.414 0.971 -0.182 252 HD1 PHE 30 1HD PHE 30 -2.454 -0.162 -2.319 253 HD2 PHE 30 2HD PHE 30 -1.843 4.035 -1.782 254 HE1 PHE 30 1HE PHE 30 -2.605 0.178 -4.751 255 HE2 PHE 30 2HE PHE 30 -2.067 4.398 -4.167 256 HZ PHE 30 HZ PHE 30 -2.440 2.463 -5.706 257 H ILE 31 H ILE 31 -3.265 2.377 2.379 258 HA ILE 31 HA ILE 31 -2.368 0.091 3.790 259 HB ILE 31 HB ILE 31 -4.234 2.220 4.904 260 1HG1 ILE 31 2HG1 ILE 31 -1.210 2.145 5.034 261 2HG1 ILE 31 1HG1 ILE 31 -2.116 3.162 3.919 262 1HG2 ILE 31 1HG2 ILE 31 -2.356 0.213 6.189 263 2HG2 ILE 31 2HG2 ILE 31 -4.109 0.311 6.375 264 3HG2 ILE 31 3HG2 ILE 31 -3.078 1.565 7.060 265 1HD1 ILE 31 1HD1 ILE 31 -2.456 4.684 5.552 266 2HD1 ILE 31 2HD1 ILE 31 -1.502 3.695 6.654 267 3HD1 ILE 31 3HD1 ILE 31 -3.245 3.463 6.542 268 H ASN 32 H ASN 32 -5.501 1.373 2.917 269 HA ASN 32 HA ASN 32 -7.114 -0.527 4.293 270 1HB ASN 32 2HB ASN 32 -7.502 1.539 2.175 271 2HB ASN 32 1HB ASN 32 -8.787 0.361 2.446 272 1HD2 ASN 32 1HD2 ASN 32 -6.652 2.582 4.328 273 2HD2 ASN 32 2HD2 ASN 32 -7.840 2.989 5.471 274 H SER 33 H SER 33 -5.797 -0.454 0.990 275 HA SER 33 HA SER 33 -7.299 -2.638 0.030 276 1HB SER 33 2HB SER 33 -4.550 -1.752 -0.838 277 2HB SER 33 1HB SER 33 -5.698 -2.716 -1.763 278 HG SER 33 HG SER 33 -5.524 -0.227 -1.960 279 H LEU 34 H LEU 34 -4.274 -2.407 1.812 280 HA LEU 34 HA LEU 34 -3.307 -5.037 1.463 281 1HB LEU 34 2HB LEU 34 -3.064 -3.725 4.157 282 2HB LEU 34 1HB LEU 34 -1.903 -4.734 3.307 283 HG LEU 34 HG LEU 34 -2.603 -1.858 2.768 284 1HD1 LEU 34 1HD1 LEU 34 -0.953 -2.013 4.453 285 2HD1 LEU 34 2HD1 LEU 34 -0.073 -1.676 2.960 286 3HD1 LEU 34 3HD1 LEU 34 -0.115 -3.313 3.605 287 1HD2 LEU 34 1HD2 LEU 34 -2.349 -2.544 0.574 288 2HD2 LEU 34 2HD2 LEU 34 -1.299 -3.886 1.013 289 3HD2 LEU 34 3HD2 LEU 34 -0.668 -2.240 1.005 290 H ARG 35 H ARG 35 -5.483 -3.772 3.979 291 HA ARG 35 HA ARG 35 -5.858 -6.341 5.211 292 1HB ARG 35 2HB ARG 35 -7.688 -5.210 6.472 293 2HB ARG 35 1HB ARG 35 -6.137 -4.397 6.560 294 1HG ARG 35 2HG ARG 35 -6.862 -2.837 4.772 295 2HG ARG 35 1HG ARG 35 -8.447 -3.612 4.770 296 1HD ARG 35 2HD ARG 35 -8.669 -3.021 7.196 297 2HD ARG 35 1HD ARG 35 -7.144 -2.147 7.086 298 HE ARG 35 HE ARG 35 -8.349 -0.400 6.178 299 1HH1 ARG 35 1HH1 ARG 35 -10.977 -1.586 7.056 300 2HH1 ARG 35 2HH1 ARG 35 -11.864 -1.641 5.569 301 1HH2 ARG 35 1HH2 ARG 35 -9.062 -1.250 3.579 302 2HH2 ARG 35 2HH2 ARG 35 -10.781 -1.453 3.604 303 H ASP 36 H ASP 36 -7.511 -4.479 2.771 304 HA ASP 36 HA ASP 36 -9.856 -6.077 2.597 305 1HB ASP 36 2HB ASP 36 -8.460 -4.275 0.590 306 2HB ASP 36 1HB ASP 36 -10.022 -5.035 0.298 307 H ASP 37 H ASP 37 -6.581 -6.430 1.713 308 HA ASP 37 HA ASP 37 -6.885 -9.137 0.877 309 1HB ASP 37 2HB ASP 37 -7.736 -7.799 -1.138 310 2HB ASP 37 1HB ASP 37 -6.073 -7.282 -1.357 311 HA PRO 38 HA PRO 38 -2.683 -8.045 2.352 312 1HB PRO 38 2HB PRO 38 -2.402 -10.756 3.286 313 2HB PRO 38 1HB PRO 38 -2.545 -9.267 4.231 314 1HG PRO 38 2HG PRO 38 -4.449 -11.275 4.018 315 2HG PRO 38 1HG PRO 38 -4.681 -9.652 4.672 316 1HD PRO 38 2HD PRO 38 -5.575 -10.759 2.088 317 2HD PRO 38 1HD PRO 38 -6.185 -9.352 2.987 318 H SER 39 H SER 39 -3.771 -10.858 0.537 319 HA SER 39 HA SER 39 -1.261 -11.777 -0.388 320 1HB SER 39 2HB SER 39 -3.448 -13.039 -0.539 321 2HB SER 39 1HB SER 39 -3.907 -11.963 -1.855 322 HG SER 39 HG SER 39 -1.880 -12.636 -2.859 323 H GLN 40 H GLN 40 -3.438 -9.236 -1.346 324 HA GLN 40 HA GLN 40 -1.943 -8.664 -3.769 325 1HB GLN 40 2HB GLN 40 -4.412 -7.424 -2.559 326 2HB GLN 40 1HB GLN 40 -3.649 -6.823 -4.027 327 1HG GLN 40 2HG GLN 40 -4.532 -9.700 -3.691 328 2HG GLN 40 1HG GLN 40 -5.562 -8.459 -4.395 329 1HE2 GLN 40 1HE2 GLN 40 -3.206 -10.789 -5.153 330 2HE2 GLN 40 2HE2 GLN 40 -2.785 -10.212 -6.692 331 H SER 41 H SER 41 -1.396 -8.029 -0.594 332 HA SER 41 HA SER 41 -0.904 -5.283 -0.415 333 1HB SER 41 2HB SER 41 0.586 -7.592 0.847 334 2HB SER 41 1HB SER 41 0.845 -5.915 1.294 335 HG SER 41 HG SER 41 -0.824 -7.374 2.420 336 H ALA 42 H ALA 42 0.803 -7.869 -1.909 337 HA ALA 42 HA ALA 42 3.236 -6.585 -2.565 338 1HB ALA 42 1HB ALA 42 2.805 -9.062 -2.501 339 2HB ALA 42 2HB ALA 42 3.579 -8.507 -3.987 340 3HB ALA 42 3HB ALA 42 1.845 -8.860 -3.971 341 H ASN 43 H ASN 43 0.182 -7.100 -4.186 342 HA ASN 43 HA ASN 43 0.881 -6.063 -6.753 343 1HB ASN 43 2HB ASN 43 -1.621 -6.673 -5.243 344 2HB ASN 43 1HB ASN 43 -1.671 -5.984 -6.862 345 1HD2 ASN 43 1HD2 ASN 43 -1.387 -7.440 -8.618 346 2HD2 ASN 43 2HD2 ASN 43 -0.961 -9.073 -8.431 347 H LEU 44 H LEU 44 -0.565 -4.912 -3.855 348 HA LEU 44 HA LEU 44 -1.690 -2.568 -4.802 349 1HB LEU 44 2HB LEU 44 -0.906 -3.496 -2.085 350 2HB LEU 44 1HB LEU 44 -1.757 -1.980 -2.348 351 HG LEU 44 HG LEU 44 -2.723 -4.531 -3.614 352 1HD1 LEU 44 1HD1 LEU 44 -4.400 -4.637 -1.725 353 2HD1 LEU 44 2HD1 LEU 44 -3.342 -3.544 -0.839 354 3HD1 LEU 44 3HD1 LEU 44 -2.764 -5.133 -1.321 355 1HD2 LEU 44 1HD2 LEU 44 -4.855 -3.292 -3.592 356 2HD2 LEU 44 2HD2 LEU 44 -3.582 -2.480 -4.506 357 3HD2 LEU 44 3HD2 LEU 44 -4.009 -1.915 -2.880 358 H LEU 45 H LEU 45 1.572 -3.044 -3.437 359 HA LEU 45 HA LEU 45 2.014 -0.182 -3.576 360 1HB LEU 45 2HB LEU 45 4.561 -1.439 -4.011 361 2HB LEU 45 1HB LEU 45 4.041 -0.463 -2.656 362 HG LEU 45 HG LEU 45 4.849 -2.597 -1.891 363 1HD1 LEU 45 1HD1 LEU 45 1.843 -2.472 -1.699 364 2HD1 LEU 45 2HD1 LEU 45 2.969 -1.566 -0.700 365 3HD1 LEU 45 3HD1 LEU 45 2.920 -3.326 -0.609 366 1HD2 LEU 45 1HD2 LEU 45 3.795 -3.513 -4.271 367 2HD2 LEU 45 2HD2 LEU 45 2.744 -4.232 -3.053 368 3HD2 LEU 45 3HD2 LEU 45 4.477 -4.515 -2.987 369 H ALA 46 H ALA 46 2.195 -2.926 -5.649 370 HA ALA 46 HA ALA 46 3.632 -1.841 -7.829 371 1HB ALA 46 1HB ALA 46 3.048 -3.790 -8.855 372 2HB ALA 46 2HB ALA 46 1.334 -3.553 -8.499 373 3HB ALA 46 3HB ALA 46 2.401 -4.239 -7.275 374 H GLU 47 H GLU 47 0.248 -1.887 -6.907 375 HA GLU 47 HA GLU 47 -0.846 -0.424 -9.079 376 1HB GLU 47 2HB GLU 47 -1.590 -1.382 -6.378 377 2HB GLU 47 1HB GLU 47 -2.449 0.064 -6.913 378 1HG GLU 47 2HG GLU 47 -3.513 -1.031 -8.639 379 2HG GLU 47 1HG GLU 47 -2.221 -2.218 -8.831 380 H ALA 48 H ALA 48 0.155 0.303 -5.837 381 HA ALA 48 HA ALA 48 -0.338 3.034 -5.727 382 1HB ALA 48 1HB ALA 48 0.767 2.982 -3.718 383 2HB ALA 48 2HB ALA 48 1.951 1.802 -4.290 384 3HB ALA 48 3HB ALA 48 0.313 1.296 -3.906 385 H LYS 49 H LYS 49 2.587 1.266 -6.609 386 HA LYS 49 HA LYS 49 4.218 3.544 -7.091 387 1HB LYS 49 2HB LYS 49 4.296 0.703 -8.145 388 2HB LYS 49 1HB LYS 49 5.494 1.913 -8.606 389 1HG LYS 49 2HG LYS 49 6.140 2.236 -6.278 390 2HG LYS 49 1HG LYS 49 4.872 1.150 -5.730 391 1HD LYS 49 2HD LYS 49 5.983 -0.665 -7.143 392 2HD LYS 49 1HD LYS 49 7.337 0.448 -7.342 393 1HE LYS 49 2HE LYS 49 7.394 0.612 -4.784 394 2HE LYS 49 1HE LYS 49 6.296 -0.768 -4.773 395 1HZ LYS 49 1HZ LYS 49 9.040 -0.649 -5.882 396 2HZ LYS 49 2HZ LYS 49 7.966 -1.925 -6.204 397 3HZ LYS 49 3HZ LYS 49 8.474 -1.620 -4.611 398 H LYS 50 H LYS 50 1.818 1.764 -8.946 399 HA LYS 50 HA LYS 50 2.269 3.120 -11.442 400 1HB LYS 50 2HB LYS 50 0.490 1.061 -10.416 401 2HB LYS 50 1HB LYS 50 -0.414 2.249 -11.347 402 1HG LYS 50 2HG LYS 50 0.264 0.771 -13.017 403 2HG LYS 50 1HG LYS 50 1.542 1.980 -13.082 404 1HD LYS 50 2HD LYS 50 2.796 0.015 -13.014 405 2HD LYS 50 1HD LYS 50 2.712 0.417 -11.301 406 1HE LYS 50 2HE LYS 50 0.562 -1.047 -11.277 407 2HE LYS 50 1HE LYS 50 1.144 -1.668 -12.822 408 1HZ LYS 50 1HZ LYS 50 2.751 -1.636 -10.328 409 2HZ LYS 50 2HZ LYS 50 3.162 -2.378 -11.799 410 3HZ LYS 50 3HZ LYS 50 1.871 -2.980 -10.872 411 H LEU 51 H LEU 51 0.280 3.567 -8.603 412 HA LEU 51 HA LEU 51 -1.390 5.670 -9.514 413 1HB LEU 51 2HB LEU 51 -0.629 4.471 -6.923 414 2HB LEU 51 1HB LEU 51 -1.193 6.113 -6.868 415 HG LEU 51 HG LEU 51 -2.974 4.425 -6.517 416 1HD1 LEU 51 1HD1 LEU 51 -3.373 6.739 -7.352 417 2HD1 LEU 51 2HD1 LEU 51 -4.597 5.574 -7.882 418 3HD1 LEU 51 3HD1 LEU 51 -3.343 6.104 -9.004 419 1HD2 LEU 51 1HD2 LEU 51 -2.062 3.571 -9.249 420 2HD2 LEU 51 2HD2 LEU 51 -3.770 3.419 -8.841 421 3HD2 LEU 51 3HD2 LEU 51 -2.553 2.583 -7.872 422 H ASN 52 H ASN 52 1.649 5.516 -7.754 423 HA ASN 52 HA ASN 52 2.002 8.243 -7.270 424 1HB ASN 52 2HB ASN 52 3.532 7.084 -6.054 425 2HB ASN 52 1HB ASN 52 3.577 5.768 -7.212 426 1HD2 ASN 52 1HD2 ASN 52 5.991 5.901 -6.575 427 2HD2 ASN 52 2HD2 ASN 52 6.973 6.959 -7.468 428 H ASP 53 H ASP 53 3.100 6.158 -9.877 429 HA ASP 53 HA ASP 53 4.334 8.188 -11.359 430 1HB ASP 53 2HB ASP 53 4.806 5.750 -11.599 431 2HB ASP 53 1HB ASP 53 3.226 5.560 -12.358 432 H ALA 54 H ALA 54 1.116 6.811 -11.286 433 HA ALA 54 HA ALA 54 0.130 8.018 -13.698 434 1HB ALA 54 1HB ALA 54 -2.061 7.303 -12.817 435 2HB ALA 54 2HB ALA 54 -1.273 6.902 -11.290 436 3HB ALA 54 3HB ALA 54 -0.854 6.017 -12.761 437 H GLN 55 H GLN 55 -0.192 8.882 -10.265 438 HA GLN 55 HA GLN 55 -1.988 11.068 -10.844 439 1HB GLN 55 2HB GLN 55 -0.582 10.152 -8.337 440 2HB GLN 55 1HB GLN 55 -1.654 11.549 -8.393 441 1HG GLN 55 2HG GLN 55 -3.485 10.098 -9.219 442 2HG GLN 55 1HG GLN 55 -2.413 8.702 -9.112 443 1HE2 GLN 55 1HE2 GLN 55 -1.423 10.565 -6.575 444 2HE2 GLN 55 2HE2 GLN 55 -2.431 9.925 -5.363 445 H ALA 56 H ALA 56 1.303 10.707 -9.644 446 HA ALA 56 HA ALA 56 2.965 12.313 -9.284 447 1HB ALA 56 1HB ALA 56 3.103 11.777 -11.715 448 2HB ALA 56 2HB ALA 56 3.644 13.416 -11.342 449 3HB ALA 56 3HB ALA 56 2.049 13.151 -12.048 450 HA PRO 57 HA PRO 57 -0.622 15.169 -7.927 451 1HB PRO 57 2HB PRO 57 1.073 15.737 -5.650 452 2HB PRO 57 1HB PRO 57 -0.475 14.874 -5.698 453 1HG PRO 57 2HG PRO 57 2.265 13.818 -5.708 454 2HG PRO 57 1HG PRO 57 0.754 13.053 -5.186 455 1HD PRO 57 2HD PRO 57 1.982 12.290 -7.451 456 2HD PRO 57 1HD PRO 57 0.212 12.343 -7.354 457 H LYS 58 H LYS 58 -0.397 16.778 -9.385 458 HA LYS 58 HA LYS 58 1.961 18.383 -9.702 459 1HB LYS 58 2HB LYS 58 -0.874 18.823 -10.685 460 2HB LYS 58 1HB LYS 58 0.543 19.730 -11.215 461 1HG LYS 58 2HG LYS 58 1.580 17.586 -11.979 462 2HG LYS 58 1HG LYS 58 0.091 16.746 -11.547 463 1HD LYS 58 2HD LYS 58 -1.152 18.285 -13.106 464 2HD LYS 58 1HD LYS 58 0.405 18.933 -13.628 465 1HE LYS 58 2HE LYS 58 -0.421 16.017 -13.815 466 2HE LYS 58 1HE LYS 58 -0.408 17.156 -15.160 467 1HZ LYS 58 1HZ LYS 58 1.949 16.360 -13.539 468 2HZ LYS 58 2HZ LYS 58 1.966 17.470 -14.824 469 3HZ LYS 58 3HZ LYS 58 1.608 15.835 -15.114 Start of MODEL 33 1 1H VAL 1 1HT VAL 1 -2.562 -11.545 18.814 2 2H VAL 1 2HT VAL 1 -2.153 -11.349 17.177 3 3H VAL 1 3HT VAL 1 -2.442 -12.902 17.802 4 HA VAL 1 HA VAL 1 -4.680 -12.673 17.804 5 HB VAL 1 HB VAL 1 -4.645 -10.727 19.328 6 1HG1 VAL 1 1HG1 VAL 1 -4.399 -8.945 16.894 7 2HG1 VAL 1 2HG1 VAL 1 -2.994 -9.417 17.849 8 3HG1 VAL 1 3HG1 VAL 1 -4.296 -8.492 18.594 9 1HG2 VAL 1 1HG2 VAL 1 -6.750 -11.407 18.108 10 2HG2 VAL 1 2HG2 VAL 1 -6.405 -10.146 16.923 11 3HG2 VAL 1 3HG2 VAL 1 -6.719 -9.714 18.604 12 H ASP 2 H ASP 2 -2.799 -10.282 15.965 13 HA ASP 2 HA ASP 2 -4.508 -10.410 13.643 14 1HB ASP 2 2HB ASP 2 -3.227 -8.370 14.231 15 2HB ASP 2 1HB ASP 2 -1.726 -9.250 13.950 16 H ASN 3 H ASN 3 -4.120 -11.444 11.715 17 HA ASN 3 HA ASN 3 -2.602 -13.881 11.797 18 1HB ASN 3 2HB ASN 3 -3.916 -12.516 9.427 19 2HB ASN 3 1HB ASN 3 -3.411 -14.200 9.511 20 1HD2 ASN 3 1HD2 ASN 3 -6.187 -12.893 9.222 21 2HD2 ASN 3 2HD2 ASN 3 -7.110 -13.630 10.442 22 H LYS 4 H LYS 4 -1.666 -13.812 9.025 23 HA LYS 4 HA LYS 4 0.932 -12.686 9.463 24 1HB LYS 4 2HB LYS 4 -0.136 -13.691 6.833 25 2HB LYS 4 1HB LYS 4 1.536 -13.668 7.384 26 1HG LYS 4 2HG LYS 4 0.766 -15.245 9.272 27 2HG LYS 4 1HG LYS 4 -0.707 -15.462 8.327 28 1HD LYS 4 2HD LYS 4 0.561 -17.188 7.453 29 2HD LYS 4 1HD LYS 4 1.037 -15.888 6.358 30 1HE LYS 4 2HE LYS 4 2.985 -15.403 7.839 31 2HE LYS 4 1HE LYS 4 2.537 -16.788 8.834 32 1HZ LYS 4 1HZ LYS 4 3.692 -16.718 6.154 33 2HZ LYS 4 2HZ LYS 4 2.568 -17.951 6.477 34 3HZ LYS 4 3HZ LYS 4 3.970 -17.806 7.426 35 H PHE 5 H PHE 5 -1.843 -11.216 8.826 36 HA PHE 5 HA PHE 5 -1.557 -9.620 6.580 37 1HB PHE 5 2HB PHE 5 -2.888 -9.222 9.235 38 2HB PHE 5 1HB PHE 5 -2.842 -7.935 8.048 39 HD1 PHE 5 1HD PHE 5 -3.189 -11.630 7.481 40 HD2 PHE 5 2HD PHE 5 -5.044 -7.743 7.337 41 HE1 PHE 5 1HE PHE 5 -5.180 -12.597 6.339 42 HE2 PHE 5 2HE PHE 5 -7.012 -8.713 6.200 43 HZ PHE 5 HZ PHE 5 -7.079 -11.123 5.696 44 H ASN 6 H ASN 6 -0.760 -8.689 9.950 45 HA ASN 6 HA ASN 6 0.196 -6.162 9.396 46 1HB ASN 6 2HB ASN 6 1.073 -8.095 11.527 47 2HB ASN 6 1HB ASN 6 1.565 -6.408 11.473 48 1HD2 ASN 6 1HD2 ASN 6 0.066 -7.383 13.677 49 2HD2 ASN 6 2HD2 ASN 6 -1.484 -6.695 13.634 50 H LYS 7 H LYS 7 2.138 -9.165 9.534 51 HA LYS 7 HA LYS 7 4.600 -7.944 9.060 52 1HB LYS 7 2HB LYS 7 4.379 -10.234 9.845 53 2HB LYS 7 1HB LYS 7 3.687 -10.719 8.300 54 1HG LYS 7 2HG LYS 7 6.014 -11.326 8.238 55 2HG LYS 7 1HG LYS 7 5.841 -9.913 7.204 56 1HD LYS 7 2HD LYS 7 6.414 -9.298 10.050 57 2HD LYS 7 1HD LYS 7 7.707 -10.146 9.205 58 1HE LYS 7 2HE LYS 7 7.411 -8.395 7.339 59 2HE LYS 7 1HE LYS 7 6.460 -7.482 8.509 60 1HZ LYS 7 1HZ LYS 7 9.320 -8.121 8.533 61 2HZ LYS 7 2HZ LYS 7 8.515 -7.949 10.019 62 3HZ LYS 7 3HZ LYS 7 8.536 -6.664 8.907 63 H GLU 8 H GLU 8 2.144 -9.148 6.818 64 HA GLU 8 HA GLU 8 3.706 -8.614 4.459 65 1HB GLU 8 2HB GLU 8 1.876 -10.300 4.590 66 2HB GLU 8 1HB GLU 8 0.714 -8.996 4.811 67 1HG GLU 8 2HG GLU 8 0.820 -9.739 2.453 68 2HG GLU 8 1HG GLU 8 1.294 -8.056 2.647 69 H ARG 9 H ARG 9 1.281 -6.945 6.335 70 HA ARG 9 HA ARG 9 0.889 -4.766 4.602 71 1HB ARG 9 2HB ARG 9 0.208 -5.236 7.496 72 2HB ARG 9 1HB ARG 9 -0.171 -3.726 6.668 73 1HG ARG 9 2HG ARG 9 -1.394 -5.009 4.936 74 2HG ARG 9 1HG ARG 9 -1.083 -6.493 5.798 75 1HD ARG 9 2HD ARG 9 -2.703 -4.132 6.774 76 2HD ARG 9 1HD ARG 9 -3.315 -5.724 6.325 77 HE ARG 9 HE ARG 9 -1.507 -6.253 8.317 78 1HH1 ARG 9 1HH2 ARG 9 -2.493 -3.383 9.090 79 2HH1 ARG 9 2HH2 ARG 9 -3.690 -3.787 10.273 80 1HH2 ARG 9 1HH1 ARG 9 -3.821 -7.130 9.387 81 2HH2 ARG 9 2HH1 ARG 9 -4.439 -5.906 10.442 82 H VAL 10 H VAL 10 3.184 -5.378 7.202 83 HA VAL 10 HA VAL 10 4.014 -2.719 7.671 84 HB VAL 10 HB VAL 10 5.858 -5.124 7.724 85 1HG1 VAL 10 1HG1 VAL 10 6.742 -2.692 7.845 86 2HG1 VAL 10 2HG1 VAL 10 7.265 -3.811 9.110 87 3HG1 VAL 10 3HG1 VAL 10 5.990 -2.640 9.444 88 1HG2 VAL 10 1HG2 VAL 10 3.618 -4.485 9.492 89 2HG2 VAL 10 2HG2 VAL 10 5.148 -4.595 10.357 90 3HG2 VAL 10 3HG2 VAL 10 4.594 -5.955 9.380 91 H ILE 11 H ILE 11 5.149 -5.269 5.636 92 HA ILE 11 HA ILE 11 7.250 -3.971 4.357 93 HB ILE 11 HB ILE 11 5.410 -6.181 3.414 94 1HG1 ILE 11 2HG1 ILE 11 8.134 -6.428 4.728 95 2HG1 ILE 11 1HG1 ILE 11 6.627 -6.491 5.649 96 1HG2 ILE 11 1HG2 ILE 11 8.234 -5.557 2.524 97 2HG2 ILE 11 2HG2 ILE 11 6.789 -5.104 1.616 98 3HG2 ILE 11 3HG2 ILE 11 7.163 -6.812 1.894 99 1HD1 ILE 11 1HD1 ILE 11 7.650 -8.739 4.834 100 2HD1 ILE 11 2HD1 ILE 11 7.053 -8.269 3.240 101 3HD1 ILE 11 3HD1 ILE 11 5.922 -8.481 4.581 102 H ALA 12 H ALA 12 3.902 -4.485 3.467 103 HA ALA 12 HA ALA 12 3.958 -3.083 1.016 104 1HB ALA 12 1HB ALA 12 1.915 -4.219 2.855 105 2HB ALA 12 2HB ALA 12 2.325 -4.655 1.185 106 3HB ALA 12 3HB ALA 12 1.405 -3.186 1.505 107 H ILE 13 H ILE 13 2.682 -2.129 4.240 108 HA ILE 13 HA ILE 13 1.731 0.395 3.421 109 HB ILE 13 HB ILE 13 1.181 -0.760 5.608 110 1HG1 ILE 13 2HG1 ILE 13 1.870 2.073 5.178 111 2HG1 ILE 13 1HG1 ILE 13 0.388 1.363 5.796 112 1HG2 ILE 13 1HG2 ILE 13 2.713 -0.766 7.418 113 2HG2 ILE 13 2HG2 ILE 13 3.796 0.378 6.624 114 3HG2 ILE 13 3HG2 ILE 13 3.675 -1.267 6.041 115 1HD1 ILE 13 1HD1 ILE 13 1.616 0.958 7.970 116 2HD1 ILE 13 2HD1 ILE 13 1.349 2.658 7.575 117 3HD1 ILE 13 3HD1 ILE 13 2.937 1.930 7.314 118 H GLY 14 H GLY 14 4.791 -0.834 4.527 119 1HA GLY 14 2HA GLY 14 6.164 1.601 4.771 120 2HA GLY 14 1HA GLY 14 6.901 0.001 4.579 121 H GLU 15 H GLU 15 5.556 -0.683 2.104 122 HA GLU 15 HA GLU 15 7.320 0.557 0.230 123 1HB GLU 15 2HB GLU 15 4.896 -1.216 -0.103 124 2HB GLU 15 1HB GLU 15 5.889 -0.682 -1.451 125 1HG GLU 15 2HG GLU 15 7.463 -1.852 0.730 126 2HG GLU 15 1HG GLU 15 6.279 -2.978 0.050 127 H ILE 16 H ILE 16 3.830 0.686 0.810 128 HA ILE 16 HA ILE 16 3.325 2.534 -1.240 129 HB ILE 16 HB ILE 16 1.687 1.408 0.982 130 1HG1 ILE 16 2HG1 ILE 16 1.388 1.280 -2.015 131 2HG1 ILE 16 1HG1 ILE 16 2.469 0.210 -1.148 132 1HG2 ILE 16 1HG2 ILE 16 -0.080 2.791 0.639 133 2HG2 ILE 16 2HG2 ILE 16 0.188 2.869 -1.116 134 3HG2 ILE 16 3HG2 ILE 16 1.085 3.931 -0.029 135 1HD1 ILE 16 1HD1 ILE 16 0.719 -1.131 -0.776 136 2HD1 ILE 16 2HD1 ILE 16 -0.374 0.061 -1.469 137 3HD1 ILE 16 3HD1 ILE 16 0.031 0.128 0.247 138 H MET 17 H MET 17 3.815 2.929 2.217 139 HA MET 17 HA MET 17 3.096 5.666 2.359 140 1HB MET 17 2HB MET 17 4.831 3.901 4.102 141 2HB MET 17 1HB MET 17 4.531 5.604 4.478 142 1HG MET 17 2HG MET 17 2.317 3.590 3.996 143 2HG MET 17 1HG MET 17 2.934 3.979 5.598 144 1HE MET 17 1HE MET 17 -0.025 4.395 3.669 145 2HE MET 17 2HE MET 17 -0.714 5.532 4.830 146 3HE MET 17 3HE MET 17 0.143 4.102 5.405 147 H ARG 18 H ARG 18 5.881 4.060 1.103 148 HA ARG 18 HA ARG 18 7.807 6.145 1.355 149 1HB ARG 18 2HB ARG 18 8.391 3.792 0.950 150 2HB ARG 18 1HB ARG 18 7.566 3.846 -0.601 151 1HG ARG 18 2HG ARG 18 9.150 5.673 -1.304 152 2HG ARG 18 1HG ARG 18 10.047 5.390 0.192 153 1HD ARG 18 2HD ARG 18 9.447 3.276 -1.891 154 2HD ARG 18 1HD ARG 18 10.979 4.137 -1.763 155 HE ARG 18 HE ARG 18 11.347 3.029 0.365 156 1HH1 ARG 18 1HH1 ARG 18 10.185 1.074 -1.943 157 2HH1 ARG 18 2HH1 ARG 18 9.374 -0.062 -0.917 158 1HH2 ARG 18 1HH2 ARG 18 9.618 1.921 1.910 159 2HH2 ARG 18 2HH2 ARG 18 9.054 0.419 1.261 160 H LEU 19 H LEU 19 5.338 5.284 -0.945 161 HA LEU 19 HA LEU 19 5.970 6.670 -3.207 162 1HB LEU 19 2HB LEU 19 3.219 6.396 -2.004 163 2HB LEU 19 1HB LEU 19 3.614 6.585 -3.715 164 HG LEU 19 HG LEU 19 4.532 4.267 -1.978 165 1HD1 LEU 19 1HD1 LEU 19 2.077 4.250 -2.469 166 2HD1 LEU 19 2HD1 LEU 19 2.961 2.888 -3.146 167 3HD1 LEU 19 3HD1 LEU 19 2.478 4.231 -4.189 168 1HD2 LEU 19 1HD2 LEU 19 5.159 5.203 -4.716 169 2HD2 LEU 19 2HD2 LEU 19 4.894 3.465 -4.519 170 3HD2 LEU 19 3HD2 LEU 19 6.140 4.280 -3.565 171 HA PRO 20 HA PRO 20 5.895 10.854 -1.465 172 1HB PRO 20 2HB PRO 20 7.257 11.796 -3.817 173 2HB PRO 20 1HB PRO 20 7.915 11.546 -2.195 174 1HG PRO 20 2HG PRO 20 8.541 10.078 -4.460 175 2HG PRO 20 1HG PRO 20 8.881 9.610 -2.785 176 1HD PRO 20 2HD PRO 20 6.751 8.644 -4.619 177 2HD PRO 20 1HD PRO 20 7.547 7.815 -3.265 178 H ASN 21 H ASN 21 4.437 9.698 -4.402 179 HA ASN 21 HA ASN 21 3.474 12.383 -5.130 180 1HB ASN 21 2HB ASN 21 3.383 9.706 -6.450 181 2HB ASN 21 1HB ASN 21 2.206 10.903 -6.935 182 1HD2 ASN 21 1HD2 ASN 21 5.285 9.812 -7.601 183 2HD2 ASN 21 2HD2 ASN 21 5.909 11.200 -8.339 184 H LEU 22 H LEU 22 1.911 9.264 -4.565 185 HA LEU 22 HA LEU 22 -0.703 9.868 -4.449 186 1HB LEU 22 2HB LEU 22 0.799 8.180 -2.448 187 2HB LEU 22 1HB LEU 22 -0.948 8.121 -2.713 188 HG LEU 22 HG LEU 22 0.956 7.765 -5.017 189 1HD1 LEU 22 1HD1 LEU 22 0.826 5.340 -4.618 190 2HD1 LEU 22 2HD1 LEU 22 -0.009 5.639 -3.094 191 3HD1 LEU 22 3HD1 LEU 22 1.651 6.182 -3.313 192 1HD2 LEU 22 1HD2 LEU 22 -1.288 6.111 -5.177 193 2HD2 LEU 22 2HD2 LEU 22 -1.024 7.626 -6.047 194 3HD2 LEU 22 3HD2 LEU 22 -1.902 7.632 -4.512 195 H ASN 23 H ASN 23 -2.208 10.648 -3.057 196 HA ASN 23 HA ASN 23 -1.254 12.535 -1.028 197 1HB ASN 23 2HB ASN 23 -3.789 12.912 -0.771 198 2HB ASN 23 1HB ASN 23 -3.070 13.401 -2.302 199 1HD2 ASN 23 1HD2 ASN 23 -4.008 12.526 -4.170 200 2HD2 ASN 23 2HD2 ASN 23 -5.073 11.204 -4.178 201 H SER 24 H SER 24 -2.169 12.357 1.188 202 HA SER 24 HA SER 24 -1.548 9.939 2.334 203 1HB SER 24 2HB SER 24 -2.844 10.648 4.295 204 2HB SER 24 1HB SER 24 -1.762 11.902 3.682 205 HG SER 24 HG SER 24 -4.558 11.647 3.217 206 H LEU 25 H LEU 25 -4.671 10.965 1.063 207 HA LEU 25 HA LEU 25 -6.211 8.858 2.140 208 1HB LEU 25 2HB LEU 25 -6.637 10.224 -0.513 209 2HB LEU 25 1HB LEU 25 -7.833 9.394 0.465 210 HG LEU 25 HG LEU 25 -7.217 11.137 2.302 211 1HD1 LEU 25 1HD1 LEU 25 -5.765 12.161 -0.073 212 2HD1 LEU 25 2HD1 LEU 25 -5.510 12.510 1.634 213 3HD1 LEU 25 3HD1 LEU 25 -6.777 13.349 0.745 214 1HD2 LEU 25 1HD2 LEU 25 -8.789 11.507 -0.219 215 2HD2 LEU 25 2HD2 LEU 25 -8.732 12.821 0.959 216 3HD2 LEU 25 3HD2 LEU 25 -9.378 11.245 1.424 217 H GLN 26 H GLN 26 -4.578 9.168 -1.027 218 HA GLN 26 HA GLN 26 -5.316 6.593 -1.879 219 1HB GLN 26 2HB GLN 26 -3.126 8.437 -2.684 220 2HB GLN 26 1HB GLN 26 -3.356 6.869 -3.420 221 1HG GLN 26 2HG GLN 26 -5.533 8.958 -3.211 222 2HG GLN 26 1HG GLN 26 -4.504 8.780 -4.635 223 1HE2 GLN 26 1HE2 GLN 26 -4.394 5.869 -4.662 224 2HE2 GLN 26 2HE2 GLN 26 -5.948 5.309 -5.045 225 H VAL 27 H VAL 27 -2.538 7.958 -0.296 226 HA VAL 27 HA VAL 27 -0.870 5.728 -0.164 227 HB VAL 27 HB VAL 27 -1.328 8.167 1.551 228 1HG1 VAL 27 1HG1 VAL 27 1.080 7.409 2.422 229 2HG1 VAL 27 2HG1 VAL 27 0.345 5.819 2.207 230 3HG1 VAL 27 3HG1 VAL 27 -0.419 7.019 3.264 231 1HG2 VAL 27 1HG2 VAL 27 1.078 8.581 0.714 232 2HG2 VAL 27 2HG2 VAL 27 -0.222 8.721 -0.467 233 3HG2 VAL 27 3HG2 VAL 27 0.772 7.267 -0.418 234 H VAL 28 H VAL 28 -3.459 6.918 1.852 235 HA VAL 28 HA VAL 28 -3.354 4.755 3.721 236 HB VAL 28 HB VAL 28 -5.454 6.865 3.364 237 1HG1 VAL 28 1HG1 VAL 28 -6.096 6.124 5.665 238 2HG1 VAL 28 2HG1 VAL 28 -4.873 4.851 5.574 239 3HG1 VAL 28 3HG1 VAL 28 -6.284 4.802 4.504 240 1HG2 VAL 28 1HG2 VAL 28 -2.821 7.093 4.135 241 2HG2 VAL 28 2HG2 VAL 28 -3.609 6.767 5.681 242 3HG2 VAL 28 3HG2 VAL 28 -4.116 8.155 4.710 243 H ALA 29 H ALA 29 -5.128 5.501 0.876 244 HA ALA 29 HA ALA 29 -7.218 3.671 0.929 245 1HB ALA 29 1HB ALA 29 -6.611 5.475 -0.815 246 2HB ALA 29 2HB ALA 29 -7.268 3.952 -1.417 247 3HB ALA 29 3HB ALA 29 -5.527 4.258 -1.510 248 H PHE 30 H PHE 30 -3.861 3.446 0.090 249 HA PHE 30 HA PHE 30 -3.928 0.788 -0.790 250 1HB PHE 30 2HB PHE 30 -1.890 2.837 -0.118 251 2HB PHE 30 1HB PHE 30 -1.408 1.163 -0.278 252 HD1 PHE 30 1HD PHE 30 -2.043 4.119 -2.037 253 HD2 PHE 30 2HD PHE 30 -2.424 -0.127 -2.335 254 HE1 PHE 30 1HE PHE 30 -2.334 4.339 -4.442 255 HE2 PHE 30 2HE PHE 30 -2.622 0.069 -4.779 256 HZ PHE 30 HZ PHE 30 -2.602 2.298 -5.859 257 H ILE 31 H ILE 31 -3.257 2.463 2.303 258 HA ILE 31 HA ILE 31 -2.289 0.181 3.682 259 HB ILE 31 HB ILE 31 -4.173 2.266 4.850 260 1HG1 ILE 31 2HG1 ILE 31 -1.149 2.257 4.923 261 2HG1 ILE 31 1HG1 ILE 31 -2.099 3.266 3.841 262 1HG2 ILE 31 1HG2 ILE 31 -2.216 0.310 6.095 263 2HG2 ILE 31 2HG2 ILE 31 -3.969 0.328 6.289 264 3HG2 ILE 31 3HG2 ILE 31 -2.993 1.620 6.983 265 1HD1 ILE 31 1HD1 ILE 31 -3.206 3.528 6.465 266 2HD1 ILE 31 2HD1 ILE 31 -2.409 4.765 5.505 267 3HD1 ILE 31 3HD1 ILE 31 -1.462 3.753 6.593 268 H ASN 32 H ASN 32 -5.464 1.423 2.908 269 HA ASN 32 HA ASN 32 -7.016 -0.492 4.318 270 1HB ASN 32 2HB ASN 32 -7.469 1.570 2.214 271 2HB ASN 32 1HB ASN 32 -8.736 0.377 2.496 272 1HD2 ASN 32 1HD2 ASN 32 -6.625 2.661 4.318 273 2HD2 ASN 32 2HD2 ASN 32 -7.789 3.028 5.498 274 H SER 33 H SER 33 -5.758 -0.416 1.001 275 HA SER 33 HA SER 33 -7.264 -2.620 0.076 276 1HB SER 33 2HB SER 33 -4.556 -1.703 -0.879 277 2HB SER 33 1HB SER 33 -5.741 -2.652 -1.772 278 HG SER 33 HG SER 33 -6.158 -0.033 -0.757 279 H LEU 34 H LEU 34 -4.185 -2.341 1.763 280 HA LEU 34 HA LEU 34 -3.231 -4.984 1.370 281 1HB LEU 34 2HB LEU 34 -2.781 -3.676 4.036 282 2HB LEU 34 1HB LEU 34 -1.681 -4.641 3.059 283 HG LEU 34 HG LEU 34 -2.503 -1.786 2.605 284 1HD1 LEU 34 1HD1 LEU 34 -0.013 -3.168 3.496 285 2HD1 LEU 34 2HD1 LEU 34 -0.776 -1.715 4.139 286 3HD1 LEU 34 3HD1 LEU 34 0.111 -1.647 2.615 287 1HD2 LEU 34 1HD2 LEU 34 -1.309 -3.796 0.772 288 2HD2 LEU 34 2HD2 LEU 34 -0.592 -2.187 0.757 289 3HD2 LEU 34 3HD2 LEU 34 -2.304 -2.392 0.397 290 H ARG 35 H ARG 35 -5.255 -3.658 3.978 291 HA ARG 35 HA ARG 35 -5.540 -6.192 5.293 292 1HB ARG 35 2HB ARG 35 -7.256 -5.066 6.657 293 2HB ARG 35 1HB ARG 35 -5.760 -4.152 6.554 294 1HG ARG 35 2HG ARG 35 -6.741 -2.734 4.789 295 2HG ARG 35 1HG ARG 35 -8.260 -3.617 4.932 296 1HD ARG 35 2HD ARG 35 -8.375 -2.935 7.333 297 2HD ARG 35 1HD ARG 35 -6.911 -1.983 7.104 298 HE ARG 35 HE ARG 35 -8.276 -0.336 6.238 299 1HH1 ARG 35 1HH1 ARG 35 -10.749 -1.875 7.212 300 2HH1 ARG 35 2HH1 ARG 35 -11.695 -1.930 5.764 301 1HH2 ARG 35 1HH2 ARG 35 -9.057 -1.083 3.695 302 2HH2 ARG 35 2HH2 ARG 35 -10.738 -1.484 3.775 303 H ASP 36 H ASP 36 -7.331 -4.417 2.885 304 HA ASP 36 HA ASP 36 -9.649 -6.076 2.862 305 1HB ASP 36 2HB ASP 36 -8.415 -4.240 0.782 306 2HB ASP 36 1HB ASP 36 -9.948 -5.074 0.551 307 H ASP 37 H ASP 37 -6.410 -6.350 1.804 308 HA ASP 37 HA ASP 37 -6.718 -9.071 0.993 309 1HB ASP 37 2HB ASP 37 -7.655 -7.710 -0.982 310 2HB ASP 37 1HB ASP 37 -5.992 -7.233 -1.281 311 HA PRO 38 HA PRO 38 -2.439 -7.937 2.239 312 1HB PRO 38 2HB PRO 38 -2.152 -10.596 3.319 313 2HB PRO 38 1HB PRO 38 -2.241 -9.057 4.188 314 1HG PRO 38 2HG PRO 38 -4.169 -11.057 4.169 315 2HG PRO 38 1HG PRO 38 -4.369 -9.398 4.740 316 1HD PRO 38 2HD PRO 38 -5.357 -10.642 2.250 317 2HD PRO 38 1HD PRO 38 -5.942 -9.196 3.102 318 H SER 39 H SER 39 -3.712 -10.777 0.615 319 HA SER 39 HA SER 39 -1.292 -11.853 -0.382 320 1HB SER 39 2HB SER 39 -4.004 -11.987 -1.723 321 2HB SER 39 1HB SER 39 -2.665 -13.113 -1.902 322 HG SER 39 HG SER 39 -4.121 -12.575 0.481 323 H GLN 40 H GLN 40 -3.421 -9.273 -1.359 324 HA GLN 40 HA GLN 40 -1.931 -8.823 -3.827 325 1HB GLN 40 2HB GLN 40 -4.436 -7.538 -2.731 326 2HB GLN 40 1HB GLN 40 -3.674 -7.080 -4.252 327 1HG GLN 40 2HG GLN 40 -4.608 -9.891 -3.603 328 2HG GLN 40 1HG GLN 40 -5.551 -8.729 -4.531 329 1HE2 GLN 40 1HE2 GLN 40 -3.441 -11.292 -4.906 330 2HE2 GLN 40 2HE2 GLN 40 -2.829 -10.916 -6.443 331 H SER 41 H SER 41 -1.297 -8.148 -0.761 332 HA SER 41 HA SER 41 -0.944 -5.377 -0.517 333 1HB SER 41 2HB SER 41 0.699 -5.894 1.194 334 2HB SER 41 1HB SER 41 -0.551 -7.122 1.307 335 HG SER 41 HG SER 41 2.019 -7.476 0.891 336 H ALA 42 H ALA 42 0.848 -7.872 -2.134 337 HA ALA 42 HA ALA 42 3.155 -6.387 -2.820 338 1HB ALA 42 1HB ALA 42 3.099 -8.840 -2.752 339 2HB ALA 42 2HB ALA 42 3.608 -8.257 -4.338 340 3HB ALA 42 3HB ALA 42 1.959 -8.840 -4.097 341 H ASN 43 H ASN 43 0.078 -7.013 -4.387 342 HA ASN 43 HA ASN 43 0.699 -5.904 -6.948 343 1HB ASN 43 2HB ASN 43 -1.163 -7.508 -6.216 344 2HB ASN 43 1HB ASN 43 -1.964 -6.059 -5.613 345 1HD2 ASN 43 1HD2 ASN 43 -3.657 -6.605 -7.283 346 2HD2 ASN 43 2HD2 ASN 43 -3.412 -6.110 -8.888 347 H LEU 44 H LEU 44 -0.629 -4.862 -3.949 348 HA LEU 44 HA LEU 44 -1.779 -2.476 -4.819 349 1HB LEU 44 2HB LEU 44 -0.968 -3.496 -2.144 350 2HB LEU 44 1HB LEU 44 -1.811 -1.967 -2.346 351 HG LEU 44 HG LEU 44 -2.804 -4.472 -3.681 352 1HD1 LEU 44 1HD1 LEU 44 -3.350 -3.575 -0.864 353 2HD1 LEU 44 2HD1 LEU 44 -2.865 -5.168 -1.435 354 3HD1 LEU 44 3HD1 LEU 44 -4.484 -4.574 -1.769 355 1HD2 LEU 44 1HD2 LEU 44 -4.043 -1.846 -2.896 356 2HD2 LEU 44 2HD2 LEU 44 -4.937 -3.203 -3.590 357 3HD2 LEU 44 3HD2 LEU 44 -3.670 -2.411 -4.530 358 H LEU 45 H LEU 45 1.478 -3.049 -3.505 359 HA LEU 45 HA LEU 45 1.993 -0.200 -3.645 360 1HB LEU 45 2HB LEU 45 4.493 -1.547 -4.104 361 2HB LEU 45 1HB LEU 45 4.036 -0.510 -2.772 362 HG LEU 45 HG LEU 45 4.778 -2.605 -1.915 363 1HD1 LEU 45 1HD1 LEU 45 2.903 -1.584 -0.754 364 2HD1 LEU 45 2HD1 LEU 45 2.813 -3.341 -0.667 365 3HD1 LEU 45 3HD1 LEU 45 1.774 -2.462 -1.770 366 1HD2 LEU 45 1HD2 LEU 45 2.673 -4.193 -3.213 367 2HD2 LEU 45 2HD2 LEU 45 4.340 -4.611 -2.856 368 3HD2 LEU 45 3HD2 LEU 45 3.957 -3.617 -4.268 369 H ALA 46 H ALA 46 2.041 -2.964 -5.685 370 HA ALA 46 HA ALA 46 3.513 -1.967 -7.882 371 1HB ALA 46 1HB ALA 46 2.811 -3.878 -8.915 372 2HB ALA 46 2HB ALA 46 1.117 -3.565 -8.523 373 3HB ALA 46 3HB ALA 46 2.178 -4.302 -7.325 374 H GLU 47 H GLU 47 0.148 -1.839 -6.946 375 HA GLU 47 HA GLU 47 -0.888 -0.321 -9.107 376 1HB GLU 47 2HB GLU 47 -1.666 -1.240 -6.381 377 2HB GLU 47 1HB GLU 47 -2.554 0.138 -7.039 378 1HG GLU 47 2HG GLU 47 -3.429 -1.101 -8.810 379 2HG GLU 47 1HG GLU 47 -2.154 -2.318 -8.723 380 H ALA 48 H ALA 48 0.079 0.330 -5.827 381 HA ALA 48 HA ALA 48 -0.394 3.079 -5.718 382 1HB ALA 48 1HB ALA 48 1.817 1.737 -4.227 383 2HB ALA 48 2HB ALA 48 0.136 1.373 -3.860 384 3HB ALA 48 3HB ALA 48 0.731 3.017 -3.686 385 H LYS 49 H LYS 49 2.561 1.285 -6.426 386 HA LYS 49 HA LYS 49 4.221 3.541 -6.878 387 1HB LYS 49 2HB LYS 49 4.346 0.683 -7.884 388 2HB LYS 49 1HB LYS 49 5.581 1.881 -8.269 389 1HG LYS 49 2HG LYS 49 6.093 2.208 -5.920 390 2HG LYS 49 1HG LYS 49 4.752 1.179 -5.430 391 1HD LYS 49 2HD LYS 49 5.872 -0.724 -6.666 392 2HD LYS 49 1HD LYS 49 7.262 0.334 -6.908 393 1HE LYS 49 2HE LYS 49 7.544 0.570 -4.483 394 2HE LYS 49 1HE LYS 49 6.103 -0.403 -4.198 395 1HZ LYS 49 1HZ LYS 49 7.376 -2.114 -5.659 396 2HZ LYS 49 2HZ LYS 49 7.742 -1.962 -4.006 397 3HZ LYS 49 3HZ LYS 49 8.743 -1.236 -5.171 398 H LYS 50 H LYS 50 1.920 1.728 -8.842 399 HA LYS 50 HA LYS 50 2.546 3.062 -11.308 400 1HB LYS 50 2HB LYS 50 0.275 1.327 -10.350 401 2HB LYS 50 1HB LYS 50 0.170 2.173 -11.896 402 1HG LYS 50 2HG LYS 50 2.195 1.094 -12.684 403 2HG LYS 50 1HG LYS 50 2.475 0.363 -11.109 404 1HD LYS 50 2HD LYS 50 0.207 -0.787 -11.385 405 2HD LYS 50 1HD LYS 50 0.240 -0.242 -13.062 406 1HE LYS 50 2HE LYS 50 2.492 -1.835 -11.813 407 2HE LYS 50 1HE LYS 50 1.140 -2.591 -12.655 408 1HZ LYS 50 1HZ LYS 50 1.801 -1.773 -14.661 409 2HZ LYS 50 2HZ LYS 50 3.320 -1.937 -13.918 410 3HZ LYS 50 3HZ LYS 50 2.570 -0.415 -13.996 411 H LEU 51 H LEU 51 0.262 3.561 -8.649 412 HA LEU 51 HA LEU 51 -1.152 5.745 -9.832 413 1HB LEU 51 2HB LEU 51 -0.992 4.497 -7.152 414 2HB LEU 51 1HB LEU 51 -1.501 6.175 -7.225 415 HG LEU 51 HG LEU 51 -3.183 5.537 -8.938 416 1HD1 LEU 51 1HD1 LEU 51 -1.947 3.431 -9.590 417 2HD1 LEU 51 2HD1 LEU 51 -3.685 3.218 -9.336 418 3HD1 LEU 51 3HD1 LEU 51 -2.543 2.701 -8.091 419 1HD2 LEU 51 1HD2 LEU 51 -3.562 5.752 -6.417 420 2HD2 LEU 51 2HD2 LEU 51 -3.550 3.984 -6.386 421 3HD2 LEU 51 3HD2 LEU 51 -4.771 4.835 -7.326 422 H ASN 52 H ASN 52 1.617 5.402 -7.753 423 HA ASN 52 HA ASN 52 1.975 8.061 -6.978 424 1HB ASN 52 2HB ASN 52 3.171 6.068 -6.069 425 2HB ASN 52 1HB ASN 52 4.064 5.941 -7.580 426 1HD2 ASN 52 1HD2 ASN 52 5.773 7.483 -7.969 427 2HD2 ASN 52 2HD2 ASN 52 6.323 8.538 -6.758 428 H ASP 53 H ASP 53 3.167 6.199 -9.705 429 HA ASP 53 HA ASP 53 4.383 8.374 -11.038 430 1HB ASP 53 2HB ASP 53 5.111 6.023 -11.314 431 2HB ASP 53 1HB ASP 53 3.584 5.673 -12.119 432 H ALA 54 H ALA 54 1.308 6.664 -11.337 433 HA ALA 54 HA ALA 54 0.429 7.910 -13.749 434 1HB ALA 54 1HB ALA 54 -1.130 6.540 -11.564 435 2HB ALA 54 2HB ALA 54 -0.405 5.748 -12.966 436 3HB ALA 54 3HB ALA 54 -1.730 6.889 -13.184 437 H GLN 55 H GLN 55 -0.307 8.567 -10.342 438 HA GLN 55 HA GLN 55 -2.289 10.567 -11.002 439 1HB GLN 55 2HB GLN 55 -0.959 9.767 -8.410 440 2HB GLN 55 1HB GLN 55 -2.210 10.991 -8.537 441 1HG GLN 55 2HG GLN 55 -3.760 9.305 -9.473 442 2HG GLN 55 1HG GLN 55 -2.501 8.077 -9.316 443 1HE2 GLN 55 1HE2 GLN 55 -2.103 10.229 -6.748 444 2HE2 GLN 55 2HE2 GLN 55 -2.982 9.352 -5.577 445 H ALA 56 H ALA 56 0.882 10.447 -9.528 446 HA ALA 56 HA ALA 56 2.350 12.131 -8.926 447 1HB ALA 56 1HB ALA 56 3.076 13.509 -10.810 448 2HB ALA 56 2HB ALA 56 1.610 13.092 -11.701 449 3HB ALA 56 3HB ALA 56 2.807 11.847 -11.335 450 HA PRO 57 HA PRO 57 -1.246 14.974 -8.009 451 1HB PRO 57 2HB PRO 57 -1.033 14.320 -5.199 452 2HB PRO 57 1HB PRO 57 -2.368 14.004 -6.317 453 1HG PRO 57 2HG PRO 57 -0.751 12.085 -5.227 454 2HG PRO 57 1HG PRO 57 -1.693 11.904 -6.708 455 1HD PRO 57 2HD PRO 57 1.231 12.469 -6.409 456 2HD PRO 57 1HD PRO 57 0.394 11.474 -7.615 457 H LYS 58 H LYS 58 1.391 15.752 -8.446 458 HA LYS 58 HA LYS 58 2.882 17.436 -8.062 459 1HB LYS 58 2HB LYS 58 0.695 18.491 -6.240 460 2HB LYS 58 1HB LYS 58 2.084 19.407 -6.814 461 1HG LYS 58 2HG LYS 58 1.355 19.275 -9.092 462 2HG LYS 58 1HG LYS 58 0.124 18.075 -8.701 463 1HD LYS 58 2HD LYS 58 -0.058 20.633 -7.198 464 2HD LYS 58 1HD LYS 58 -0.400 20.736 -8.925 465 1HE LYS 58 2HE LYS 58 -2.478 20.274 -7.736 466 2HE LYS 58 1HE LYS 58 -2.027 18.849 -8.672 467 1HZ LYS 58 1HZ LYS 58 -1.332 19.218 -5.811 468 2HZ LYS 58 2HZ LYS 58 -1.177 17.803 -6.737 469 3HZ LYS 58 3HZ LYS 58 -2.719 18.395 -6.337 Start of MODEL 34 1 1H VAL 1 1HT VAL 1 2.235 -14.914 16.608 2 2H VAL 1 2HT VAL 1 2.938 -16.391 17.066 3 3H VAL 1 3HT VAL 1 1.837 -15.614 18.100 4 HA VAL 1 HA VAL 1 1.298 -16.983 15.537 5 HB VAL 1 HB VAL 1 0.057 -17.221 18.306 6 1HG1 VAL 1 1HG1 VAL 1 -0.281 -18.830 15.751 7 2HG1 VAL 1 2HG1 VAL 1 -1.515 -17.871 16.569 8 3HG1 VAL 1 3HG1 VAL 1 -0.894 -19.335 17.326 9 1HG2 VAL 1 1HG2 VAL 1 2.112 -18.934 16.862 10 2HG2 VAL 1 2HG2 VAL 1 1.262 -19.437 18.324 11 3HG2 VAL 1 3HG2 VAL 1 2.345 -18.046 18.370 12 H ASP 2 H ASP 2 0.458 -15.390 14.272 13 HA ASP 2 HA ASP 2 -2.191 -14.429 14.874 14 1HB ASP 2 2HB ASP 2 -1.611 -12.014 14.659 15 2HB ASP 2 1HB ASP 2 -0.934 -12.747 16.110 16 H ASN 3 H ASN 3 -2.791 -12.737 13.040 17 HA ASN 3 HA ASN 3 -2.554 -14.099 10.561 18 1HB ASN 3 2HB ASN 3 -3.422 -11.240 11.070 19 2HB ASN 3 1HB ASN 3 -3.743 -12.182 9.617 20 1HD2 ASN 3 1HD2 ASN 3 -4.659 -14.596 10.493 21 2HD2 ASN 3 2HD2 ASN 3 -6.011 -14.416 11.500 22 H LYS 4 H LYS 4 -1.291 -13.718 8.780 23 HA LYS 4 HA LYS 4 1.198 -12.356 9.211 24 1HB LYS 4 2HB LYS 4 0.120 -13.594 6.676 25 2HB LYS 4 1HB LYS 4 1.796 -13.148 6.984 26 1HG LYS 4 2HG LYS 4 1.839 -14.744 8.904 27 2HG LYS 4 1HG LYS 4 0.203 -15.251 8.483 28 1HD LYS 4 2HD LYS 4 1.062 -15.858 6.189 29 2HD LYS 4 1HD LYS 4 2.693 -15.530 6.775 30 1HE LYS 4 2HE LYS 4 2.618 -17.775 7.267 31 2HE LYS 4 1HE LYS 4 1.867 -17.172 8.745 32 1HZ LYS 4 1HZ LYS 4 0.488 -18.877 7.888 33 2HZ LYS 4 2HZ LYS 4 0.505 -18.212 6.324 34 3HZ LYS 4 3HZ LYS 4 -0.307 -17.410 7.582 35 H PHE 5 H PHE 5 -1.684 -11.123 8.655 36 HA PHE 5 HA PHE 5 -1.589 -9.462 6.434 37 1HB PHE 5 2HB PHE 5 -2.835 -9.241 9.154 38 2HB PHE 5 1HB PHE 5 -2.904 -7.892 8.032 39 HD1 PHE 5 1HD PHE 5 -3.110 -11.601 7.439 40 HD2 PHE 5 2HD PHE 5 -5.074 -7.770 7.231 41 HE1 PHE 5 1HE PHE 5 -5.063 -12.637 6.283 42 HE2 PHE 5 2HE PHE 5 -7.001 -8.807 6.083 43 HZ PHE 5 HZ PHE 5 -6.996 -11.224 5.605 44 H ASN 6 H ASN 6 -0.768 -8.611 9.785 45 HA ASN 6 HA ASN 6 0.101 -6.024 9.307 46 1HB ASN 6 2HB ASN 6 1.075 -7.936 11.421 47 2HB ASN 6 1HB ASN 6 1.253 -6.185 11.449 48 1HD2 ASN 6 1HD2 ASN 6 -0.471 -8.335 13.046 49 2HD2 ASN 6 2HD2 ASN 6 -1.991 -7.582 13.122 50 H LYS 7 H LYS 7 2.059 -9.002 9.454 51 HA LYS 7 HA LYS 7 4.541 -7.785 9.095 52 1HB LYS 7 2HB LYS 7 4.270 -10.093 9.824 53 2HB LYS 7 1HB LYS 7 3.641 -10.537 8.241 54 1HG LYS 7 2HG LYS 7 5.960 -11.160 8.251 55 2HG LYS 7 1HG LYS 7 5.845 -9.713 7.257 56 1HD LYS 7 2HD LYS 7 6.298 -9.190 10.140 57 2HD LYS 7 1HD LYS 7 7.616 -10.033 9.331 58 1HE LYS 7 2HE LYS 7 7.448 -8.233 7.507 59 2HE LYS 7 1HE LYS 7 6.431 -7.339 8.637 60 1HZ LYS 7 1HZ LYS 7 8.733 -6.674 8.842 61 2HZ LYS 7 2HZ LYS 7 9.201 -8.278 9.154 62 3HZ LYS 7 3HZ LYS 7 8.220 -7.445 10.264 63 H GLU 8 H GLU 8 2.155 -8.942 6.749 64 HA GLU 8 HA GLU 8 3.804 -8.355 4.454 65 1HB GLU 8 2HB GLU 8 1.965 -10.039 4.474 66 2HB GLU 8 1HB GLU 8 0.800 -8.737 4.689 67 1HG GLU 8 2HG GLU 8 1.010 -9.444 2.315 68 2HG GLU 8 1HG GLU 8 1.425 -7.753 2.564 69 H ARG 9 H ARG 9 1.319 -6.751 6.295 70 HA ARG 9 HA ARG 9 0.941 -4.516 4.645 71 1HB ARG 9 2HB ARG 9 0.267 -5.144 7.499 72 2HB ARG 9 1HB ARG 9 -0.030 -3.543 6.827 73 1HG ARG 9 2HG ARG 9 -1.537 -4.358 5.224 74 2HG ARG 9 1HG ARG 9 -0.981 -6.015 5.381 75 1HD ARG 9 2HD ARG 9 -3.133 -5.823 6.463 76 2HD ARG 9 1HD ARG 9 -1.906 -6.036 7.709 77 HE ARG 9 HE ARG 9 -3.092 -3.404 7.019 78 1HH1 ARG 9 1HH2 ARG 9 -0.606 -3.617 8.800 79 2HH1 ARG 9 2HH2 ARG 9 -1.313 -3.522 10.379 80 1HH2 ARG 9 1HH1 ARG 9 -4.525 -4.186 9.266 81 2HH2 ARG 9 2HH1 ARG 9 -3.529 -3.842 10.642 82 H VAL 10 H VAL 10 3.231 -5.204 7.231 83 HA VAL 10 HA VAL 10 4.051 -2.550 7.745 84 HB VAL 10 HB VAL 10 5.897 -4.948 7.815 85 1HG1 VAL 10 1HG1 VAL 10 7.285 -3.642 9.193 86 2HG1 VAL 10 2HG1 VAL 10 5.984 -2.532 9.620 87 3HG1 VAL 10 3HG1 VAL 10 6.706 -2.464 8.008 88 1HG2 VAL 10 1HG2 VAL 10 3.611 -4.324 9.543 89 2HG2 VAL 10 2HG2 VAL 10 5.124 -4.497 10.431 90 3HG2 VAL 10 3HG2 VAL 10 4.557 -5.810 9.399 91 H ILE 11 H ILE 11 5.214 -5.083 5.701 92 HA ILE 11 HA ILE 11 7.338 -3.753 4.482 93 HB ILE 11 HB ILE 11 5.535 -5.965 3.466 94 1HG1 ILE 11 2HG1 ILE 11 8.222 -6.230 4.847 95 2HG1 ILE 11 1HG1 ILE 11 6.694 -6.297 5.732 96 1HG2 ILE 11 1HG2 ILE 11 8.380 -5.308 2.668 97 2HG2 ILE 11 2HG2 ILE 11 6.957 -4.859 1.723 98 3HG2 ILE 11 3HG2 ILE 11 7.340 -6.567 1.993 99 1HD1 ILE 11 1HD1 ILE 11 7.151 -8.044 3.310 100 2HD1 ILE 11 2HD1 ILE 11 6.011 -8.276 4.642 101 3HD1 ILE 11 3HD1 ILE 11 7.738 -8.537 4.902 102 H ALA 12 H ALA 12 4.016 -4.309 3.503 103 HA ALA 12 HA ALA 12 4.097 -2.863 1.080 104 1HB ALA 12 1HB ALA 12 2.022 -4.027 2.860 105 2HB ALA 12 2HB ALA 12 2.488 -4.466 1.206 106 3HB ALA 12 3HB ALA 12 1.547 -3.002 1.492 107 H ILE 13 H ILE 13 2.745 -1.972 4.285 108 HA ILE 13 HA ILE 13 1.760 0.535 3.481 109 HB ILE 13 HB ILE 13 1.224 -0.638 5.667 110 1HG1 ILE 13 2HG1 ILE 13 1.873 2.215 5.263 111 2HG1 ILE 13 1HG1 ILE 13 0.393 1.474 5.846 112 1HG2 ILE 13 1HG2 ILE 13 2.750 -0.643 7.473 113 2HG2 ILE 13 2HG2 ILE 13 3.793 0.565 6.723 114 3HG2 ILE 13 3HG2 ILE 13 3.750 -1.068 6.096 115 1HD1 ILE 13 1HD1 ILE 13 1.287 2.755 7.662 116 2HD1 ILE 13 2HD1 ILE 13 2.898 2.073 7.417 117 3HD1 ILE 13 3HD1 ILE 13 1.592 1.057 8.035 118 H GLY 14 H GLY 14 4.836 -0.642 4.602 119 1HA GLY 14 2HA GLY 14 6.157 1.819 4.913 120 2HA GLY 14 1HA GLY 14 6.926 0.235 4.720 121 H GLU 15 H GLU 15 5.681 -0.455 2.216 122 HA GLU 15 HA GLU 15 7.455 0.861 0.399 123 1HB GLU 15 2HB GLU 15 5.089 -0.981 -0.057 124 2HB GLU 15 1HB GLU 15 6.210 -0.457 -1.313 125 1HG GLU 15 2HG GLU 15 7.674 -1.521 0.952 126 2HG GLU 15 1HG GLU 15 6.479 -2.691 0.377 127 H ILE 16 H ILE 16 3.982 0.828 0.890 128 HA ILE 16 HA ILE 16 3.366 2.650 -1.153 129 HB ILE 16 HB ILE 16 1.833 1.374 1.079 130 1HG1 ILE 16 2HG1 ILE 16 1.887 1.099 -1.942 131 2HG1 ILE 16 1HG1 ILE 16 2.699 0.036 -0.806 132 1HG2 ILE 16 1HG2 ILE 16 0.986 3.773 -0.019 133 2HG2 ILE 16 2HG2 ILE 16 -0.054 2.532 0.680 134 3HG2 ILE 16 3HG2 ILE 16 0.226 2.576 -1.072 135 1HD1 ILE 16 1HD1 ILE 16 0.134 -0.026 0.136 136 2HD1 ILE 16 2HD1 ILE 16 0.838 -1.209 -0.976 137 3HD1 ILE 16 3HD1 ILE 16 -0.126 0.137 -1.610 138 H MET 17 H MET 17 3.993 3.072 2.259 139 HA MET 17 HA MET 17 3.068 5.774 2.415 140 1HB MET 17 2HB MET 17 4.850 4.041 4.119 141 2HB MET 17 1HB MET 17 4.678 5.766 4.459 142 1HG MET 17 2HG MET 17 3.024 3.921 5.499 143 2HG MET 17 1HG MET 17 2.500 5.557 5.136 144 1HE MET 17 1HE MET 17 0.057 3.637 5.279 145 2HE MET 17 2HE MET 17 -0.706 4.325 3.851 146 3HE MET 17 3HE MET 17 0.246 5.352 4.918 147 H ARG 18 H ARG 18 5.915 4.230 1.263 148 HA ARG 18 HA ARG 18 7.766 6.371 1.397 149 1HB ARG 18 2HB ARG 18 8.445 4.046 1.067 150 2HB ARG 18 1HB ARG 18 7.592 3.999 -0.468 151 1HG ARG 18 2HG ARG 18 9.079 5.833 -1.300 152 2HG ARG 18 1HG ARG 18 10.006 5.697 0.199 153 1HD ARG 18 2HD ARG 18 9.489 3.413 -1.717 154 2HD ARG 18 1HD ARG 18 10.971 4.367 -1.693 155 HE ARG 18 HE ARG 18 11.427 3.460 0.523 156 1HH1 ARG 18 1HH1 ARG 18 10.668 1.199 -1.579 157 2HH1 ARG 18 2HH1 ARG 18 9.848 0.100 -0.520 158 1HH2 ARG 18 1HH2 ARG 18 9.563 2.391 2.060 159 2HH2 ARG 18 2HH2 ARG 18 9.225 0.774 1.538 160 H LEU 19 H LEU 19 5.308 5.396 -0.904 161 HA LEU 19 HA LEU 19 5.914 6.715 -3.183 162 1HB LEU 19 2HB LEU 19 3.167 6.613 -1.937 163 2HB LEU 19 1HB LEU 19 3.555 6.734 -3.656 164 HG LEU 19 HG LEU 19 4.342 4.421 -1.855 165 1HD1 LEU 19 1HD1 LEU 19 2.383 4.293 -4.144 166 2HD1 LEU 19 2HD1 LEU 19 1.865 4.609 -2.486 167 3HD1 LEU 19 3HD1 LEU 19 2.683 3.102 -2.876 168 1HD2 LEU 19 1HD2 LEU 19 4.722 3.531 -4.366 169 2HD2 LEU 19 2HD2 LEU 19 5.981 4.315 -3.402 170 3HD2 LEU 19 3HD2 LEU 19 5.068 5.252 -4.601 171 HA PRO 20 HA PRO 20 6.179 10.900 -1.485 172 1HB PRO 20 2HB PRO 20 7.462 11.747 -3.915 173 2HB PRO 20 1HB PRO 20 8.192 11.469 -2.328 174 1HG PRO 20 2HG PRO 20 8.579 9.946 -4.625 175 2HG PRO 20 1HG PRO 20 9.040 9.503 -2.973 176 1HD PRO 20 2HD PRO 20 6.778 8.537 -4.614 177 2HD PRO 20 1HD PRO 20 7.590 7.767 -3.237 178 H ASN 21 H ASN 21 4.557 9.816 -4.353 179 HA ASN 21 HA ASN 21 3.653 12.544 -4.994 180 1HB ASN 21 2HB ASN 21 2.962 9.953 -6.409 181 2HB ASN 21 1HB ASN 21 2.663 11.581 -6.978 182 1HD2 ASN 21 1HD2 ASN 21 4.561 9.311 -7.955 183 2HD2 ASN 21 2HD2 ASN 21 6.048 10.107 -8.145 184 H LEU 22 H LEU 22 1.982 9.442 -4.568 185 HA LEU 22 HA LEU 22 -0.606 10.157 -4.342 186 1HB LEU 22 2HB LEU 22 0.868 8.259 -2.517 187 2HB LEU 22 1HB LEU 22 -0.886 8.304 -2.721 188 HG LEU 22 HG LEU 22 0.852 8.058 -5.152 189 1HD1 LEU 22 1HD1 LEU 22 0.936 5.659 -4.892 190 2HD1 LEU 22 2HD1 LEU 22 0.013 5.747 -3.389 191 3HD1 LEU 22 3HD1 LEU 22 1.645 6.406 -3.465 192 1HD2 LEU 22 1HD2 LEU 22 -1.500 6.391 -4.936 193 2HD2 LEU 22 2HD2 LEU 22 -1.140 7.674 -6.117 194 3HD2 LEU 22 3HD2 LEU 22 -1.906 8.073 -4.569 195 H ASN 23 H ASN 23 -2.066 10.769 -2.770 196 HA ASN 23 HA ASN 23 -0.961 12.459 -0.631 197 1HB ASN 23 2HB ASN 23 -3.486 12.904 -0.251 198 2HB ASN 23 1HB ASN 23 -2.743 13.578 -1.696 199 1HD2 ASN 23 1HD2 ASN 23 -3.887 13.182 -3.584 200 2HD2 ASN 23 2HD2 ASN 23 -4.958 11.885 -3.819 201 H SER 24 H SER 24 -1.907 12.154 1.569 202 HA SER 24 HA SER 24 -1.340 9.645 2.530 203 1HB SER 24 2HB SER 24 -2.580 10.251 4.552 204 2HB SER 24 1HB SER 24 -1.506 11.537 4.000 205 HG SER 24 HG SER 24 -4.312 11.322 3.591 206 H LEU 25 H LEU 25 -4.461 10.823 1.366 207 HA LEU 25 HA LEU 25 -6.043 8.684 2.312 208 1HB LEU 25 2HB LEU 25 -6.429 10.236 -0.245 209 2HB LEU 25 1HB LEU 25 -7.653 9.374 0.674 210 HG LEU 25 HG LEU 25 -6.964 10.969 2.630 211 1HD1 LEU 25 1HD1 LEU 25 -5.255 12.364 2.027 212 2HD1 LEU 25 2HD1 LEU 25 -6.518 13.269 1.195 213 3HD1 LEU 25 3HD1 LEU 25 -5.530 12.114 0.304 214 1HD2 LEU 25 1HD2 LEU 25 -8.582 11.536 0.174 215 2HD2 LEU 25 2HD2 LEU 25 -8.477 12.764 1.440 216 3HD2 LEU 25 3HD2 LEU 25 -9.142 11.169 1.808 217 H GLN 26 H GLN 26 -4.442 9.167 -0.831 218 HA GLN 26 HA GLN 26 -5.244 6.695 -1.897 219 1HB GLN 26 2HB GLN 26 -2.999 8.536 -2.498 220 2HB GLN 26 1HB GLN 26 -3.290 7.072 -3.406 221 1HG GLN 26 2HG GLN 26 -5.402 7.800 -4.161 222 2HG GLN 26 1HG GLN 26 -5.515 9.037 -2.900 223 1HE2 GLN 26 1HE2 GLN 26 -5.824 9.401 -5.785 224 2HE2 GLN 26 2HE2 GLN 26 -4.626 10.503 -6.267 225 H VAL 27 H VAL 27 -2.416 7.846 -0.231 226 HA VAL 27 HA VAL 27 -0.815 5.565 -0.249 227 HB VAL 27 HB VAL 27 -1.180 7.923 1.594 228 1HG1 VAL 27 1HG1 VAL 27 0.398 5.489 2.124 229 2HG1 VAL 27 2HG1 VAL 27 -0.280 6.682 3.242 230 3HG1 VAL 27 3HG1 VAL 27 1.222 7.028 2.383 231 1HG2 VAL 27 1HG2 VAL 27 -0.079 8.556 -0.398 232 2HG2 VAL 27 2HG2 VAL 27 0.857 7.064 -0.458 233 3HG2 VAL 27 3HG2 VAL 27 1.237 8.295 0.746 234 H VAL 28 H VAL 28 -3.329 6.716 1.875 235 HA VAL 28 HA VAL 28 -3.240 4.481 3.652 236 HB VAL 28 HB VAL 28 -5.296 6.648 3.411 237 1HG1 VAL 28 1HG1 VAL 28 -5.901 5.804 5.714 238 2HG1 VAL 28 2HG1 VAL 28 -4.782 4.458 5.461 239 3HG1 VAL 28 3HG1 VAL 28 -6.229 4.608 4.452 240 1HG2 VAL 28 1HG2 VAL 28 -3.927 7.824 4.838 241 2HG2 VAL 28 2HG2 VAL 28 -2.661 6.782 4.168 242 3HG2 VAL 28 3HG2 VAL 28 -3.430 6.366 5.704 243 H ALA 29 H ALA 29 -5.022 5.347 0.861 244 HA ALA 29 HA ALA 29 -7.171 3.600 0.897 245 1HB ALA 29 1HB ALA 29 -6.446 5.412 -0.805 246 2HB ALA 29 2HB ALA 29 -7.241 3.959 -1.421 247 3HB ALA 29 3HB ALA 29 -5.483 4.124 -1.543 248 H PHE 30 H PHE 30 -3.807 3.217 0.078 249 HA PHE 30 HA PHE 30 -4.018 0.573 -0.851 250 1HB PHE 30 2HB PHE 30 -1.820 2.391 -0.001 251 2HB PHE 30 1HB PHE 30 -1.519 0.695 -0.340 252 HD1 PHE 30 1HD PHE 30 -1.891 3.910 -1.778 253 HD2 PHE 30 2HD PHE 30 -2.544 -0.256 -2.491 254 HE1 PHE 30 1HE PHE 30 -2.099 4.376 -4.152 255 HE2 PHE 30 2HE PHE 30 -2.640 0.180 -4.899 256 HZ PHE 30 HZ PHE 30 -2.454 2.499 -5.766 257 H ILE 31 H ILE 31 -3.273 2.175 2.252 258 HA ILE 31 HA ILE 31 -2.446 -0.128 3.646 259 HB ILE 31 HB ILE 31 -4.238 2.060 4.756 260 1HG1 ILE 31 2HG1 ILE 31 -1.230 1.829 4.860 261 2HG1 ILE 31 1HG1 ILE 31 -2.105 2.903 3.781 262 1HG2 ILE 31 1HG2 ILE 31 -3.168 1.374 6.927 263 2HG2 ILE 31 2HG2 ILE 31 -2.455 -0.001 6.085 264 3HG2 ILE 31 3HG2 ILE 31 -4.211 0.134 6.225 265 1HD1 ILE 31 1HD1 ILE 31 -3.213 3.313 6.355 266 2HD1 ILE 31 2HD1 ILE 31 -2.197 4.432 5.449 267 3HD1 ILE 31 3HD1 ILE 31 -1.464 3.292 6.574 268 H ASN 32 H ASN 32 -5.557 1.249 2.851 269 HA ASN 32 HA ASN 32 -7.188 -0.598 4.247 270 1HB ASN 32 2HB ASN 32 -7.549 1.447 2.109 271 2HB ASN 32 1HB ASN 32 -8.847 0.279 2.362 272 1HD2 ASN 32 1HD2 ASN 32 -7.509 3.218 3.494 273 2HD2 ASN 32 2HD2 ASN 32 -8.385 3.328 4.944 274 H SER 33 H SER 33 -5.943 -0.571 0.905 275 HA SER 33 HA SER 33 -7.434 -2.814 0.069 276 1HB SER 33 2HB SER 33 -4.759 -1.949 -0.996 277 2HB SER 33 1HB SER 33 -6.044 -2.819 -1.829 278 HG SER 33 HG SER 33 -6.226 -0.185 -0.788 279 H LEU 34 H LEU 34 -4.314 -2.443 1.660 280 HA LEU 34 HA LEU 34 -3.282 -5.057 1.353 281 1HB LEU 34 2HB LEU 34 -3.009 -3.697 4.024 282 2HB LEU 34 1HB LEU 34 -1.843 -4.695 3.169 283 HG LEU 34 HG LEU 34 -2.607 -1.846 2.600 284 1HD1 LEU 34 1HD1 LEU 34 -0.098 -1.581 2.827 285 2HD1 LEU 34 2HD1 LEU 34 -0.086 -3.220 3.468 286 3HD1 LEU 34 3HD1 LEU 34 -0.975 -1.953 4.312 287 1HD2 LEU 34 1HD2 LEU 34 -2.348 -2.723 0.421 288 2HD2 LEU 34 2HD2 LEU 34 -1.055 -3.804 0.937 289 3HD2 LEU 34 3HD2 LEU 34 -0.758 -2.070 0.828 290 H ARG 35 H ARG 35 -5.425 -3.743 3.849 291 HA ARG 35 HA ARG 35 -5.700 -6.224 5.245 292 1HB ARG 35 2HB ARG 35 -6.887 -5.029 6.786 293 2HB ARG 35 1HB ARG 35 -6.120 -3.687 5.952 294 1HG ARG 35 2HG ARG 35 -8.237 -3.689 4.450 295 2HG ARG 35 1HG ARG 35 -8.963 -4.644 5.736 296 1HD ARG 35 2HD ARG 35 -8.218 -2.842 7.355 297 2HD ARG 35 1HD ARG 35 -7.769 -1.865 5.962 298 HE ARG 35 HE ARG 35 -10.296 -1.891 7.006 299 1HH1 ARG 35 1HH2 ARG 35 -9.011 -1.169 4.082 300 2HH1 ARG 35 2HH2 ARG 35 -10.391 -1.577 3.122 301 1HH2 ARG 35 1HH1 ARG 35 -12.063 -3.135 5.720 302 2HH2 ARG 35 2HH1 ARG 35 -12.118 -2.686 4.049 303 H ASP 36 H ASP 36 -7.414 -4.623 2.666 304 HA ASP 36 HA ASP 36 -9.688 -6.348 2.611 305 1HB ASP 36 2HB ASP 36 -8.412 -4.559 0.515 306 2HB ASP 36 1HB ASP 36 -9.922 -5.429 0.263 307 H ASP 37 H ASP 37 -6.402 -6.527 1.646 308 HA ASP 37 HA ASP 37 -6.534 -9.294 0.985 309 1HB ASP 37 2HB ASP 37 -7.522 -8.117 -1.078 310 2HB ASP 37 1HB ASP 37 -5.889 -7.545 -1.381 311 HA PRO 38 HA PRO 38 -2.364 -7.850 2.247 312 1HB PRO 38 2HB PRO 38 -1.894 -10.463 3.367 313 2HB PRO 38 1HB PRO 38 -2.132 -8.928 4.214 314 1HG PRO 38 2HG PRO 38 -3.890 -11.073 4.181 315 2HG PRO 38 1HG PRO 38 -4.247 -9.426 4.703 316 1HD PRO 38 2HD PRO 38 -5.025 -10.799 2.202 317 2HD PRO 38 1HD PRO 38 -5.783 -9.413 3.018 318 H SER 39 H SER 39 -3.306 -10.875 0.706 319 HA SER 39 HA SER 39 -0.769 -11.696 -0.232 320 1HB SER 39 2HB SER 39 -3.448 -12.170 -1.570 321 2HB SER 39 1HB SER 39 -1.984 -13.132 -1.753 322 HG SER 39 HG SER 39 -3.568 -12.782 0.578 323 H GLN 40 H GLN 40 -3.141 -9.394 -1.291 324 HA GLN 40 HA GLN 40 -1.674 -8.848 -3.755 325 1HB GLN 40 2HB GLN 40 -4.358 -7.926 -2.744 326 2HB GLN 40 1HB GLN 40 -3.617 -7.306 -4.217 327 1HG GLN 40 2HG GLN 40 -3.473 -9.614 -5.105 328 2HG GLN 40 1HG GLN 40 -4.256 -10.217 -3.650 329 1HE2 GLN 40 1HE2 GLN 40 -5.239 -10.322 -6.465 330 2HE2 GLN 40 2HE2 GLN 40 -6.742 -9.532 -6.457 331 H SER 41 H SER 41 -1.062 -8.028 -0.736 332 HA SER 41 HA SER 41 -1.167 -5.242 -0.512 333 1HB SER 41 2HB SER 41 0.637 -5.445 1.111 334 2HB SER 41 1HB SER 41 -0.390 -6.854 1.307 335 HG SER 41 HG SER 41 1.141 -8.091 0.496 336 H ALA 42 H ALA 42 1.031 -7.398 -2.104 337 HA ALA 42 HA ALA 42 2.933 -5.566 -3.047 338 1HB ALA 42 1HB ALA 42 2.197 -8.277 -4.120 339 2HB ALA 42 2HB ALA 42 3.314 -7.996 -2.782 340 3HB ALA 42 3HB ALA 42 3.711 -7.416 -4.401 341 H ASN 43 H ASN 43 -0.057 -6.908 -4.399 342 HA ASN 43 HA ASN 43 0.267 -5.955 -7.075 343 1HB ASN 43 2HB ASN 43 -1.313 -7.761 -6.130 344 2HB ASN 43 1HB ASN 43 -2.341 -6.414 -5.647 345 1HD2 ASN 43 1HD2 ASN 43 -3.544 -8.050 -7.391 346 2HD2 ASN 43 2HD2 ASN 43 -3.559 -7.419 -8.967 347 H LEU 44 H LEU 44 -1.145 -4.903 -4.143 348 HA LEU 44 HA LEU 44 -2.413 -2.517 -5.047 349 1HB LEU 44 2HB LEU 44 -1.483 -3.527 -2.374 350 2HB LEU 44 1HB LEU 44 -2.458 -2.088 -2.569 351 HG LEU 44 HG LEU 44 -3.267 -4.689 -3.792 352 1HD1 LEU 44 1HD1 LEU 44 -3.613 -3.789 -0.968 353 2HD1 LEU 44 2HD1 LEU 44 -3.352 -5.409 -1.606 354 3HD1 LEU 44 3HD1 LEU 44 -4.934 -4.654 -1.753 355 1HD2 LEU 44 1HD2 LEU 44 -4.558 -2.077 -3.127 356 2HD2 LEU 44 2HD2 LEU 44 -5.483 -3.508 -3.619 357 3HD2 LEU 44 3HD2 LEU 44 -4.293 -2.803 -4.721 358 H LEU 45 H LEU 45 0.585 -3.475 -3.714 359 HA LEU 45 HA LEU 45 1.824 -0.971 -3.373 360 1HB LEU 45 2HB LEU 45 2.412 -3.703 -3.108 361 2HB LEU 45 1HB LEU 45 3.527 -3.160 -4.335 362 HG LEU 45 HG LEU 45 3.177 -1.675 -1.759 363 1HD1 LEU 45 1HD1 LEU 45 4.836 -3.062 -0.759 364 2HD1 LEU 45 2HD1 LEU 45 5.217 -3.845 -2.286 365 3HD1 LEU 45 3HD1 LEU 45 3.676 -4.185 -1.481 366 1HD2 LEU 45 1HD2 LEU 45 4.625 -1.325 -4.194 367 2HD2 LEU 45 2HD2 LEU 45 5.808 -1.733 -2.945 368 3HD2 LEU 45 3HD2 LEU 45 4.731 -0.351 -2.725 369 H ALA 46 H ALA 46 1.476 -3.299 -5.925 370 HA ALA 46 HA ALA 46 3.112 -2.155 -7.898 371 1HB ALA 46 1HB ALA 46 2.310 -3.874 -9.197 372 2HB ALA 46 2HB ALA 46 0.631 -3.518 -8.782 373 3HB ALA 46 3HB ALA 46 1.628 -4.456 -7.676 374 H GLU 47 H GLU 47 -0.307 -1.882 -7.064 375 HA GLU 47 HA GLU 47 -1.053 -0.096 -9.120 376 1HB GLU 47 2HB GLU 47 -2.145 -1.230 -6.649 377 2HB GLU 47 1HB GLU 47 -2.686 0.421 -6.959 378 1HG GLU 47 2HG GLU 47 -2.854 -1.837 -8.976 379 2HG GLU 47 1HG GLU 47 -4.192 -1.293 -7.973 380 H ALA 48 H ALA 48 0.081 0.232 -5.847 381 HA ALA 48 HA ALA 48 -0.163 2.975 -5.488 382 1HB ALA 48 1HB ALA 48 0.797 2.505 -3.526 383 2HB ALA 48 2HB ALA 48 2.229 1.839 -4.313 384 3HB ALA 48 3HB ALA 48 0.813 0.827 -4.059 385 H LYS 49 H LYS 49 2.486 1.037 -6.744 386 HA LYS 49 HA LYS 49 4.240 3.225 -7.250 387 1HB LYS 49 2HB LYS 49 4.108 0.427 -8.415 388 2HB LYS 49 1HB LYS 49 5.389 1.583 -8.792 389 1HG LYS 49 2HG LYS 49 5.935 1.755 -6.378 390 2HG LYS 49 1HG LYS 49 4.687 0.568 -6.016 391 1HD LYS 49 2HD LYS 49 5.889 -1.053 -7.530 392 2HD LYS 49 1HD LYS 49 7.192 0.128 -7.665 393 1HE LYS 49 2HE LYS 49 6.920 0.028 -4.957 394 2HE LYS 49 1HE LYS 49 6.449 -1.619 -5.381 395 1HZ LYS 49 1HZ LYS 49 8.970 -0.248 -6.139 396 2HZ LYS 49 2HZ LYS 49 8.506 -1.784 -6.695 397 3HZ LYS 49 3HZ LYS 49 8.803 -1.531 -5.041 398 H LYS 50 H LYS 50 1.690 1.578 -9.031 399 HA LYS 50 HA LYS 50 2.110 2.974 -11.506 400 1HB LYS 50 2HB LYS 50 -0.161 1.336 -10.373 401 2HB LYS 50 1HB LYS 50 -0.314 2.180 -11.912 402 1HG LYS 50 2HG LYS 50 1.716 1.002 -12.734 403 2HG LYS 50 1HG LYS 50 1.801 0.117 -11.218 404 1HD LYS 50 2HD LYS 50 -0.871 -0.060 -12.370 405 2HD LYS 50 1HD LYS 50 0.343 -0.605 -13.521 406 1HE LYS 50 2HE LYS 50 0.185 -2.592 -12.424 407 2HE LYS 50 1HE LYS 50 1.210 -1.827 -11.213 408 1HZ LYS 50 1HZ LYS 50 -1.409 -2.740 -10.924 409 2HZ LYS 50 2HZ LYS 50 -1.453 -1.049 -10.772 410 3HZ LYS 50 3HZ LYS 50 -0.440 -1.970 -9.766 411 H LEU 51 H LEU 51 0.175 3.446 -8.622 412 HA LEU 51 HA LEU 51 -1.443 5.606 -9.514 413 1HB LEU 51 2HB LEU 51 -0.738 4.271 -6.972 414 2HB LEU 51 1HB LEU 51 -1.281 5.914 -6.848 415 HG LEU 51 HG LEU 51 -3.098 4.261 -6.587 416 1HD1 LEU 51 1HD1 LEU 51 -4.526 5.357 -8.542 417 2HD1 LEU 51 2HD1 LEU 51 -3.111 6.406 -8.649 418 3HD1 LEU 51 3HD1 LEU 51 -4.007 6.288 -7.129 419 1HD2 LEU 51 1HD2 LEU 51 -2.726 2.441 -7.966 420 2HD2 LEU 51 2HD2 LEU 51 -2.139 3.437 -9.301 421 3HD2 LEU 51 3HD2 LEU 51 -3.867 3.345 -8.970 422 H ASN 52 H ASN 52 1.489 5.332 -7.619 423 HA ASN 52 HA ASN 52 1.879 8.023 -6.995 424 1HB ASN 52 2HB ASN 52 2.980 6.093 -5.899 425 2HB ASN 52 1HB ASN 52 3.898 5.793 -7.370 426 1HD2 ASN 52 1HD2 ASN 52 5.824 6.975 -7.651 427 2HD2 ASN 52 2HD2 ASN 52 6.332 8.218 -6.611 428 H ASP 53 H ASP 53 3.126 5.983 -9.550 429 HA ASP 53 HA ASP 53 4.566 8.004 -10.881 430 1HB ASP 53 2HB ASP 53 3.621 5.284 -11.767 431 2HB ASP 53 1HB ASP 53 4.720 6.297 -12.698 432 H ALA 54 H ALA 54 1.343 6.627 -11.249 433 HA ALA 54 HA ALA 54 0.782 7.818 -13.792 434 1HB ALA 54 1HB ALA 54 -0.980 6.709 -11.632 435 2HB ALA 54 2HB ALA 54 -0.428 5.882 -13.096 436 3HB ALA 54 3HB ALA 54 -1.574 7.217 -13.212 437 H GLN 55 H GLN 55 -0.029 8.783 -10.449 438 HA GLN 55 HA GLN 55 -1.645 10.995 -11.411 439 1HB GLN 55 2HB GLN 55 -0.659 10.199 -8.676 440 2HB GLN 55 1HB GLN 55 -1.791 11.505 -8.998 441 1HG GLN 55 2HG GLN 55 -3.395 9.940 -9.956 442 2HG GLN 55 1HG GLN 55 -2.253 8.610 -9.745 443 1HE2 GLN 55 1HE2 GLN 55 -1.802 10.713 -7.168 444 2HE2 GLN 55 2HE2 GLN 55 -2.798 9.920 -6.042 445 H ALA 56 H ALA 56 1.389 10.498 -9.743 446 HA ALA 56 HA ALA 56 3.063 11.984 -9.116 447 1HB ALA 56 1HB ALA 56 3.541 11.435 -11.500 448 2HB ALA 56 2HB ALA 56 4.141 13.022 -11.023 449 3HB ALA 56 3HB ALA 56 2.663 12.887 -11.978 450 HA PRO 57 HA PRO 57 -0.568 15.218 -8.547 451 1HB PRO 57 2HB PRO 57 0.552 15.386 -5.874 452 2HB PRO 57 1HB PRO 57 -1.040 14.783 -6.376 453 1HG PRO 57 2HG PRO 57 1.494 13.307 -5.958 454 2HG PRO 57 1HG PRO 57 -0.181 12.773 -5.704 455 1HD PRO 57 2HD PRO 57 1.086 11.824 -7.802 456 2HD PRO 57 1HD PRO 57 -0.535 12.493 -8.040 457 H LYS 58 H LYS 58 0.185 16.940 -9.679 458 HA LYS 58 HA LYS 58 2.761 18.168 -9.103 459 1HB LYS 58 2HB LYS 58 0.578 18.941 -11.061 460 2HB LYS 58 1HB LYS 58 2.186 19.663 -10.981 461 1HG LYS 58 2HG LYS 58 3.177 17.402 -11.384 462 2HG LYS 58 1HG LYS 58 1.546 16.757 -11.581 463 1HD LYS 58 2HD LYS 58 1.181 18.429 -13.428 464 2HD LYS 58 1HD LYS 58 2.885 18.869 -13.299 465 1HE LYS 58 2HE LYS 58 1.820 16.094 -13.922 466 2HE LYS 58 1HE LYS 58 2.545 17.201 -15.087 467 1HZ LYS 58 1HZ LYS 58 3.820 15.736 -12.880 468 2HZ LYS 58 2HZ LYS 58 4.501 17.197 -13.415 469 3HZ LYS 58 3HZ LYS 58 4.321 15.895 -14.492 Start of MODEL 35 1 1H VAL 1 1HT VAL 1 -5.419 -10.524 9.270 2 2H VAL 1 2HT VAL 1 -6.708 -9.590 8.680 3 3H VAL 1 3HT VAL 1 -6.837 -10.362 10.187 4 HA VAL 1 HA VAL 1 -5.084 -8.079 9.474 5 HB VAL 1 HB VAL 1 -7.258 -8.399 11.574 6 1HG1 VAL 1 1HG1 VAL 1 -7.007 -5.889 11.701 7 2HG1 VAL 1 2HG1 VAL 1 -5.579 -6.032 10.677 8 3HG1 VAL 1 3HG1 VAL 1 -5.597 -6.778 12.275 9 1HG2 VAL 1 1HG2 VAL 1 -7.254 -7.027 8.863 10 2HG2 VAL 1 2HG2 VAL 1 -8.495 -6.767 10.089 11 3HG2 VAL 1 3HG2 VAL 1 -8.283 -8.365 9.373 12 H ASP 2 H ASP 2 -6.069 -10.294 12.082 13 HA ASP 2 HA ASP 2 -3.725 -9.727 13.684 14 1HB ASP 2 2HB ASP 2 -4.665 -11.366 15.219 15 2HB ASP 2 1HB ASP 2 -5.948 -10.290 14.669 16 H ASN 3 H ASN 3 -4.284 -11.561 10.970 17 HA ASN 3 HA ASN 3 -2.595 -13.834 11.630 18 1HB ASN 3 2HB ASN 3 -3.528 -13.140 8.854 19 2HB ASN 3 1HB ASN 3 -3.264 -14.725 9.570 20 1HD2 ASN 3 1HD2 ASN 3 -4.767 -14.658 11.896 21 2HD2 ASN 3 2HD2 ASN 3 -6.400 -14.365 11.538 22 H LYS 4 H LYS 4 -1.527 -13.781 8.780 23 HA LYS 4 HA LYS 4 0.954 -12.470 9.380 24 1HB LYS 4 2HB LYS 4 0.023 -13.753 6.808 25 2HB LYS 4 1HB LYS 4 1.679 -13.271 7.172 26 1HG LYS 4 2HG LYS 4 1.667 -14.826 9.129 27 2HG LYS 4 1HG LYS 4 0.058 -15.370 8.650 28 1HD LYS 4 2HD LYS 4 0.993 -16.043 6.428 29 2HD LYS 4 1HD LYS 4 2.600 -15.606 7.007 30 1HE LYS 4 2HE LYS 4 2.415 -17.264 8.819 31 2HE LYS 4 1HE LYS 4 0.790 -17.688 8.276 32 1HZ LYS 4 1HZ LYS 4 2.468 -19.227 7.435 33 2HZ LYS 4 2HZ LYS 4 3.265 -17.946 6.652 34 3HZ LYS 4 3HZ LYS 4 1.700 -18.399 6.169 35 H PHE 5 H PHE 5 -1.846 -11.187 8.601 36 HA PHE 5 HA PHE 5 -1.607 -9.552 6.382 37 1HB PHE 5 2HB PHE 5 -2.929 -9.241 9.058 38 2HB PHE 5 1HB PHE 5 -2.931 -7.919 7.905 39 HD1 PHE 5 1HD PHE 5 -5.076 -7.750 7.064 40 HD2 PHE 5 2HD PHE 5 -3.234 -11.629 7.390 41 HE1 PHE 5 1HE PHE 5 -7.020 -8.756 5.920 42 HE2 PHE 5 2HE PHE 5 -5.197 -12.633 6.228 43 HZ PHE 5 HZ PHE 5 -7.079 -11.180 5.493 44 H ASN 6 H ASN 6 -0.900 -8.687 9.757 45 HA ASN 6 HA ASN 6 0.029 -6.125 9.335 46 1HB ASN 6 2HB ASN 6 1.002 -8.076 11.414 47 2HB ASN 6 1HB ASN 6 1.133 -6.322 11.486 48 1HD2 ASN 6 1HD2 ASN 6 -0.523 -8.512 13.060 49 2HD2 ASN 6 2HD2 ASN 6 -2.071 -7.821 13.125 50 H LYS 7 H LYS 7 1.941 -9.128 9.455 51 HA LYS 7 HA LYS 7 4.471 -7.983 9.112 52 1HB LYS 7 2HB LYS 7 3.969 -10.299 9.804 53 2HB LYS 7 1HB LYS 7 3.492 -10.666 8.153 54 1HG LYS 7 2HG LYS 7 6.204 -9.468 8.702 55 2HG LYS 7 1HG LYS 7 5.949 -11.191 8.959 56 1HD LYS 7 2HD LYS 7 5.455 -9.698 6.374 57 2HD LYS 7 1HD LYS 7 6.812 -10.761 6.694 58 1HE LYS 7 2HE LYS 7 5.551 -12.448 5.876 59 2HE LYS 7 1HE LYS 7 4.556 -12.306 7.325 60 1HZ LYS 7 1HZ LYS 7 3.086 -10.843 6.232 61 2HZ LYS 7 2HZ LYS 7 3.352 -12.122 5.146 62 3HZ LYS 7 3HZ LYS 7 4.132 -10.630 4.915 63 H GLU 8 H GLU 8 2.090 -9.107 6.725 64 HA GLU 8 HA GLU 8 3.742 -8.484 4.452 65 1HB GLU 8 2HB GLU 8 1.810 -10.135 4.535 66 2HB GLU 8 1HB GLU 8 0.722 -8.751 4.585 67 1HG GLU 8 2HG GLU 8 0.942 -9.503 2.291 68 2HG GLU 8 1HG GLU 8 1.704 -7.930 2.463 69 H ARG 9 H ARG 9 1.267 -6.873 6.299 70 HA ARG 9 HA ARG 9 0.923 -4.620 4.668 71 1HB ARG 9 2HB ARG 9 0.222 -5.245 7.520 72 2HB ARG 9 1HB ARG 9 -0.103 -3.664 6.812 73 1HG ARG 9 2HG ARG 9 -1.541 -4.572 5.174 74 2HG ARG 9 1HG ARG 9 -0.993 -6.214 5.450 75 1HD ARG 9 2HD ARG 9 -3.142 -6.029 6.476 76 2HD ARG 9 1HD ARG 9 -1.965 -6.014 7.788 77 HE ARG 9 HE ARG 9 -2.735 -3.384 6.814 78 1HH1 ARG 9 1HH2 ARG 9 -1.867 -4.403 9.645 79 2HH1 ARG 9 2HH2 ARG 9 -3.323 -4.102 10.532 80 1HH2 ARG 9 1HH1 ARG 9 -5.269 -3.667 7.702 81 2HH2 ARG 9 2HH1 ARG 9 -5.248 -3.685 9.432 82 H VAL 10 H VAL 10 3.172 -5.350 7.277 83 HA VAL 10 HA VAL 10 3.998 -2.709 7.843 84 HB VAL 10 HB VAL 10 5.833 -5.118 7.892 85 1HG1 VAL 10 1HG1 VAL 10 6.655 -2.643 8.134 86 2HG1 VAL 10 2HG1 VAL 10 7.215 -3.844 9.304 87 3HG1 VAL 10 3HG1 VAL 10 5.918 -2.733 9.738 88 1HG2 VAL 10 1HG2 VAL 10 4.469 -5.998 9.447 89 2HG2 VAL 10 2HG2 VAL 10 3.541 -4.500 9.620 90 3HG2 VAL 10 3HG2 VAL 10 5.046 -4.713 10.507 91 H ILE 11 H ILE 11 5.181 -5.214 5.779 92 HA ILE 11 HA ILE 11 7.322 -3.878 4.599 93 HB ILE 11 HB ILE 11 5.518 -6.067 3.539 94 1HG1 ILE 11 2HG1 ILE 11 8.190 -6.367 4.940 95 2HG1 ILE 11 1HG1 ILE 11 6.653 -6.435 5.811 96 1HG2 ILE 11 1HG2 ILE 11 7.338 -6.666 2.080 97 2HG2 ILE 11 2HG2 ILE 11 8.371 -5.410 2.773 98 3HG2 ILE 11 3HG2 ILE 11 6.955 -4.959 1.817 99 1HD1 ILE 11 1HD1 ILE 11 7.642 -8.679 5.006 100 2HD1 ILE 11 2HD1 ILE 11 7.180 -8.163 3.382 101 3HD1 ILE 11 3HD1 ILE 11 5.945 -8.372 4.629 102 H ALA 12 H ALA 12 4.013 -4.414 3.568 103 HA ALA 12 HA ALA 12 4.131 -2.946 1.161 104 1HB ALA 12 1HB ALA 12 2.519 -4.554 1.262 105 2HB ALA 12 2HB ALA 12 1.579 -3.086 1.525 106 3HB ALA 12 3HB ALA 12 2.025 -4.114 2.904 107 H ILE 13 H ILE 13 2.735 -2.087 4.356 108 HA ILE 13 HA ILE 13 1.772 0.435 3.560 109 HB ILE 13 HB ILE 13 1.195 -0.786 5.718 110 1HG1 ILE 13 2HG1 ILE 13 1.804 2.075 5.352 111 2HG1 ILE 13 1HG1 ILE 13 0.325 1.307 5.898 112 1HG2 ILE 13 1HG2 ILE 13 3.711 -1.190 6.211 113 2HG2 ILE 13 2HG2 ILE 13 2.676 -0.779 7.564 114 3HG2 ILE 13 3HG2 ILE 13 3.722 0.445 6.842 115 1HD1 ILE 13 1HD1 ILE 13 2.789 1.930 7.525 116 2HD1 ILE 13 2HD1 ILE 13 1.480 0.900 8.110 117 3HD1 ILE 13 3HD1 ILE 13 1.168 2.596 7.738 118 H GLY 14 H GLY 14 4.815 -0.761 4.749 119 1HA GLY 14 2HA GLY 14 6.127 1.691 5.105 120 2HA GLY 14 1HA GLY 14 6.902 0.109 4.916 121 H GLU 15 H GLU 15 5.691 -0.550 2.370 122 HA GLU 15 HA GLU 15 7.516 0.777 0.612 123 1HB GLU 15 2HB GLU 15 5.143 -1.041 0.088 124 2HB GLU 15 1HB GLU 15 6.273 -0.497 -1.150 125 1HG GLU 15 2HG GLU 15 7.726 -1.614 1.092 126 2HG GLU 15 1HG GLU 15 6.516 -2.764 0.505 127 H ILE 16 H ILE 16 4.023 0.751 1.011 128 HA ILE 16 HA ILE 16 3.476 2.613 -1.016 129 HB ILE 16 HB ILE 16 1.852 1.342 1.153 130 1HG1 ILE 16 2HG1 ILE 16 1.883 1.092 -1.871 131 2HG1 ILE 16 1HG1 ILE 16 2.758 0.034 -0.777 132 1HG2 ILE 16 1HG2 ILE 16 0.298 2.561 -1.006 133 2HG2 ILE 16 2HG2 ILE 16 1.114 3.772 -0.022 134 3HG2 ILE 16 3HG2 ILE 16 0.039 2.604 0.745 135 1HD1 ILE 16 1HD1 ILE 16 -0.086 0.056 -1.494 136 2HD1 ILE 16 2HD1 ILE 16 0.203 -0.040 0.253 137 3HD1 ILE 16 3HD1 ILE 16 0.918 -1.246 -0.830 138 H MET 17 H MET 17 3.930 2.984 2.438 139 HA MET 17 HA MET 17 2.959 5.649 2.603 140 1HB MET 17 2HB MET 17 4.797 3.995 4.342 141 2HB MET 17 1HB MET 17 4.425 5.682 4.723 142 1HG MET 17 2HG MET 17 2.296 3.585 4.228 143 2HG MET 17 1HG MET 17 2.902 3.973 5.835 144 1HE MET 17 1HE MET 17 0.008 4.266 3.830 145 2HE MET 17 2HE MET 17 -0.811 5.393 4.913 146 3HE MET 17 3HE MET 17 0.049 4.005 5.577 147 H ARG 18 H ARG 18 5.851 4.290 1.326 148 HA ARG 18 HA ARG 18 7.569 6.571 1.588 149 1HB ARG 18 2HB ARG 18 8.485 4.332 1.292 150 2HB ARG 18 1HB ARG 18 7.651 4.166 -0.249 151 1HG ARG 18 2HG ARG 18 8.962 6.054 -1.166 152 2HG ARG 18 1HG ARG 18 9.821 6.194 0.373 153 1HD ARG 18 2HD ARG 18 10.586 3.833 0.105 154 2HD ARG 18 1HD ARG 18 9.802 3.789 -1.473 155 HE ARG 18 HE ARG 18 11.476 5.984 -1.567 156 1HH1 ARG 18 1HH1 ARG 18 11.883 3.652 -3.377 157 2HH1 ARG 18 2HH1 ARG 18 13.452 3.082 -2.920 158 1HH2 ARG 18 1HH2 ARG 18 13.483 4.790 0.092 159 2HH2 ARG 18 2HH2 ARG 18 14.358 3.727 -0.956 160 H LEU 19 H LEU 19 5.341 5.359 -0.827 161 HA LEU 19 HA LEU 19 5.876 6.648 -3.114 162 1HB LEU 19 2HB LEU 19 3.119 6.476 -1.910 163 2HB LEU 19 1HB LEU 19 3.526 6.561 -3.625 164 HG LEU 19 HG LEU 19 4.386 4.342 -1.745 165 1HD1 LEU 19 1HD1 LEU 19 2.423 4.131 -4.020 166 2HD1 LEU 19 2HD1 LEU 19 1.919 4.426 -2.355 167 3HD1 LEU 19 3HD1 LEU 19 2.777 2.947 -2.763 168 1HD2 LEU 19 1HD2 LEU 19 4.966 4.994 -4.608 169 2HD2 LEU 19 2HD2 LEU 19 4.869 3.300 -4.110 170 3HD2 LEU 19 3HD2 LEU 19 6.042 4.377 -3.344 171 HA PRO 20 HA PRO 20 5.755 10.963 -1.706 172 1HB PRO 20 2HB PRO 20 7.254 11.675 -4.059 173 2HB PRO 20 1HB PRO 20 7.823 11.587 -2.387 174 1HG PRO 20 2HG PRO 20 8.575 9.902 -4.458 175 2HG PRO 20 1HG PRO 20 8.811 9.599 -2.729 176 1HD PRO 20 2HD PRO 20 6.785 8.462 -4.584 177 2HD PRO 20 1HD PRO 20 7.501 7.766 -3.113 178 H ASN 21 H ASN 21 4.666 9.502 -4.650 179 HA ASN 21 HA ASN 21 3.432 12.013 -5.570 180 1HB ASN 21 2HB ASN 21 4.075 9.418 -6.886 181 2HB ASN 21 1HB ASN 21 2.906 10.504 -7.612 182 1HD2 ASN 21 1HD2 ASN 21 5.942 9.726 -8.150 183 2HD2 ASN 21 2HD2 ASN 21 6.644 11.239 -8.459 184 H LEU 22 H LEU 22 2.417 10.463 -3.287 185 HA LEU 22 HA LEU 22 -0.334 10.095 -4.283 186 1HB LEU 22 2HB LEU 22 1.189 8.331 -2.368 187 2HB LEU 22 1HB LEU 22 -0.575 8.302 -2.512 188 HG LEU 22 HG LEU 22 1.185 8.019 -4.945 189 1HD1 LEU 22 1HD1 LEU 22 1.220 6.248 -2.791 190 2HD1 LEU 22 2HD1 LEU 22 1.729 5.913 -4.446 191 3HD1 LEU 22 3HD1 LEU 22 0.088 5.526 -3.933 192 1HD2 LEU 22 1HD2 LEU 22 -1.589 8.219 -4.475 193 2HD2 LEU 22 2HD2 LEU 22 -1.280 6.514 -4.822 194 3HD2 LEU 22 3HD2 LEU 22 -0.789 7.759 -5.984 195 H ASN 23 H ASN 23 -1.960 10.680 -2.918 196 HA ASN 23 HA ASN 23 -1.201 12.580 -0.818 197 1HB ASN 23 2HB ASN 23 -3.824 12.701 -0.681 198 2HB ASN 23 1HB ASN 23 -2.995 13.469 -2.027 199 1HD2 ASN 23 1HD2 ASN 23 -3.088 12.396 -4.143 200 2HD2 ASN 23 2HD2 ASN 23 -4.257 11.203 -4.458 201 H SER 24 H SER 24 -2.123 12.296 1.351 202 HA SER 24 HA SER 24 -1.486 9.857 2.442 203 1HB SER 24 2HB SER 24 -2.831 10.496 4.397 204 2HB SER 24 1HB SER 24 -1.750 11.776 3.843 205 HG SER 24 HG SER 24 -3.968 12.432 4.305 206 H LEU 25 H LEU 25 -4.589 10.871 1.122 207 HA LEU 25 HA LEU 25 -6.140 8.730 2.110 208 1HB LEU 25 2HB LEU 25 -6.466 10.163 -0.524 209 2HB LEU 25 1HB LEU 25 -7.697 9.282 0.366 210 HG LEU 25 HG LEU 25 -7.161 10.973 2.293 211 1HD1 LEU 25 1HD1 LEU 25 -5.725 12.120 -0.043 212 2HD1 LEU 25 2HD1 LEU 25 -5.456 12.383 1.679 213 3HD1 LEU 25 3HD1 LEU 25 -6.748 13.245 0.847 214 1HD2 LEU 25 1HD2 LEU 25 -8.692 11.382 -0.249 215 2HD2 LEU 25 2HD2 LEU 25 -8.698 12.653 0.978 216 3HD2 LEU 25 3HD2 LEU 25 -9.308 11.042 1.370 217 H GLN 26 H GLN 26 -4.409 9.142 -0.973 218 HA GLN 26 HA GLN 26 -5.064 6.604 -1.990 219 1HB GLN 26 2HB GLN 26 -2.847 8.509 -2.507 220 2HB GLN 26 1HB GLN 26 -2.918 6.964 -3.315 221 1HG GLN 26 2HG GLN 26 -5.314 8.781 -3.265 222 2HG GLN 26 1HG GLN 26 -4.036 9.037 -4.454 223 1HE2 GLN 26 1HE2 GLN 26 -5.906 8.456 -6.006 224 2HE2 GLN 26 2HE2 GLN 26 -6.159 6.812 -6.339 225 H VAL 27 H VAL 27 -2.357 7.882 -0.223 226 HA VAL 27 HA VAL 27 -0.729 5.637 -0.063 227 HB VAL 27 HB VAL 27 -1.230 8.053 1.673 228 1HG1 VAL 27 1HG1 VAL 27 -0.346 6.923 3.395 229 2HG1 VAL 27 2HG1 VAL 27 1.178 7.233 2.559 230 3HG1 VAL 27 3HG1 VAL 27 0.369 5.677 2.359 231 1HG2 VAL 27 1HG2 VAL 27 0.858 7.196 -0.318 232 2HG2 VAL 27 2HG2 VAL 27 1.237 8.417 0.894 233 3HG2 VAL 27 3HG2 VAL 27 -0.067 8.695 -0.259 234 H VAL 28 H VAL 28 -3.366 6.815 1.900 235 HA VAL 28 HA VAL 28 -3.335 4.635 3.748 236 HB VAL 28 HB VAL 28 -5.406 6.763 3.328 237 1HG1 VAL 28 1HG1 VAL 28 -6.308 4.710 4.426 238 2HG1 VAL 28 2HG1 VAL 28 -6.145 6.021 5.598 239 3HG1 VAL 28 3HG1 VAL 28 -4.940 4.730 5.548 240 1HG2 VAL 28 1HG2 VAL 28 -2.805 6.963 4.192 241 2HG2 VAL 28 2HG2 VAL 28 -3.647 6.631 5.708 242 3HG2 VAL 28 3HG2 VAL 28 -4.110 8.031 4.733 243 H ALA 29 H ALA 29 -4.997 5.403 0.850 244 HA ALA 29 HA ALA 29 -7.114 3.614 0.825 245 1HB ALA 29 1HB ALA 29 -5.332 4.132 -1.552 246 2HB ALA 29 2HB ALA 29 -6.371 5.404 -0.897 247 3HB ALA 29 3HB ALA 29 -7.083 3.909 -1.509 248 H PHE 30 H PHE 30 -3.720 3.300 0.092 249 HA PHE 30 HA PHE 30 -3.848 0.636 -0.768 250 1HB PHE 30 2HB PHE 30 -1.726 2.557 0.046 251 2HB PHE 30 1HB PHE 30 -1.353 0.862 -0.229 252 HD1 PHE 30 1HD PHE 30 -1.732 3.983 -1.788 253 HD2 PHE 30 2HD PHE 30 -2.440 -0.201 -2.367 254 HE1 PHE 30 1HE PHE 30 -1.960 4.372 -4.175 255 HE2 PHE 30 2HE PHE 30 -2.562 0.167 -4.783 256 HZ PHE 30 HZ PHE 30 -2.359 2.453 -5.724 257 H ILE 31 H ILE 31 -3.189 2.313 2.324 258 HA ILE 31 HA ILE 31 -2.336 0.040 3.758 259 HB ILE 31 HB ILE 31 -4.237 2.155 4.834 260 1HG1 ILE 31 2HG1 ILE 31 -1.221 2.105 5.034 261 2HG1 ILE 31 1HG1 ILE 31 -2.112 3.127 3.917 262 1HG2 ILE 31 1HG2 ILE 31 -4.157 0.258 6.309 263 2HG2 ILE 31 2HG2 ILE 31 -3.122 1.498 7.019 264 3HG2 ILE 31 3HG2 ILE 31 -2.401 0.141 6.157 265 1HD1 ILE 31 1HD1 ILE 31 -2.480 4.628 5.568 266 2HD1 ILE 31 2HD1 ILE 31 -1.572 3.615 6.685 267 3HD1 ILE 31 3HD1 ILE 31 -3.311 3.397 6.506 268 H ASN 32 H ASN 32 -5.467 1.327 2.872 269 HA ASN 32 HA ASN 32 -7.079 -0.543 4.266 270 1HB ASN 32 2HB ASN 32 -7.460 1.487 2.114 271 2HB ASN 32 1HB ASN 32 -8.741 0.302 2.375 272 1HD2 ASN 32 1HD2 ASN 32 -7.464 3.274 3.477 273 2HD2 ASN 32 2HD2 ASN 32 -8.336 3.381 4.929 274 H SER 33 H SER 33 -5.872 -0.490 0.910 275 HA SER 33 HA SER 33 -7.332 -2.736 0.068 276 1HB SER 33 2HB SER 33 -4.646 -1.880 -0.975 277 2HB SER 33 1HB SER 33 -5.928 -2.745 -1.818 278 HG SER 33 HG SER 33 -5.573 -0.177 -1.760 279 H LEU 34 H LEU 34 -4.212 -2.401 1.669 280 HA LEU 34 HA LEU 34 -3.213 -5.025 1.347 281 1HB LEU 34 2HB LEU 34 -2.913 -3.689 4.024 282 2HB LEU 34 1HB LEU 34 -1.762 -4.689 3.151 283 HG LEU 34 HG LEU 34 -2.496 -1.826 2.645 284 1HD1 LEU 34 1HD1 LEU 34 -0.819 -1.942 4.280 285 2HD1 LEU 34 2HD1 LEU 34 0.051 -1.649 2.772 286 3HD1 LEU 34 3HD1 LEU 34 -0.003 -3.271 3.456 287 1HD2 LEU 34 1HD2 LEU 34 -1.054 -3.783 0.881 288 2HD2 LEU 34 2HD2 LEU 34 -0.692 -2.061 0.808 289 3HD2 LEU 34 3HD2 LEU 34 -2.319 -2.639 0.433 290 H ARG 35 H ARG 35 -5.344 -3.703 3.854 291 HA ARG 35 HA ARG 35 -5.648 -6.192 5.230 292 1HB ARG 35 2HB ARG 35 -6.803 -4.987 6.783 293 2HB ARG 35 1HB ARG 35 -6.039 -3.648 5.946 294 1HG ARG 35 2HG ARG 35 -8.173 -3.638 4.464 295 2HG ARG 35 1HG ARG 35 -8.889 -4.589 5.759 296 1HD ARG 35 2HD ARG 35 -8.125 -2.793 7.370 297 2HD ARG 35 1HD ARG 35 -7.666 -1.819 5.978 298 HE ARG 35 HE ARG 35 -10.186 -1.801 7.021 299 1HH1 ARG 35 1HH1 ARG 35 -8.930 -1.094 4.094 300 2HH1 ARG 35 2HH1 ARG 35 -10.311 -1.517 3.140 301 1HH2 ARG 35 1HH2 ARG 35 -11.954 -3.090 5.749 302 2HH2 ARG 35 2HH2 ARG 35 -12.021 -2.644 4.077 303 H ASP 36 H ASP 36 -7.335 -4.548 2.659 304 HA ASP 36 HA ASP 36 -9.629 -6.246 2.587 305 1HB ASP 36 2HB ASP 36 -8.326 -4.472 0.494 306 2HB ASP 36 1HB ASP 36 -9.852 -5.316 0.248 307 H ASP 37 H ASP 37 -6.340 -6.456 1.630 308 HA ASP 37 HA ASP 37 -6.505 -9.218 0.956 309 1HB ASP 37 2HB ASP 37 -7.463 -8.013 -1.106 310 2HB ASP 37 1HB ASP 37 -5.817 -7.467 -1.395 311 HA PRO 38 HA PRO 38 -2.307 -7.875 2.224 312 1HB PRO 38 2HB PRO 38 -1.882 -10.513 3.304 313 2HB PRO 38 1HB PRO 38 -2.098 -8.989 4.175 314 1HG PRO 38 2HG PRO 38 -3.888 -11.101 4.116 315 2HG PRO 38 1HG PRO 38 -4.226 -9.450 4.642 316 1HD PRO 38 2HD PRO 38 -4.989 -10.796 2.117 317 2HD PRO 38 1HD PRO 38 -5.757 -9.427 2.951 318 H SER 39 H SER 39 -3.281 -10.899 0.680 319 HA SER 39 HA SER 39 -0.758 -11.724 -0.282 320 1HB SER 39 2HB SER 39 -2.816 -13.158 -0.245 321 2HB SER 39 1HB SER 39 -3.470 -12.188 -1.561 322 HG SER 39 HG SER 39 -1.533 -12.761 -2.737 323 H GLN 40 H GLN 40 -3.091 -9.374 -1.297 324 HA GLN 40 HA GLN 40 -1.618 -8.858 -3.771 325 1HB GLN 40 2HB GLN 40 -4.305 -7.843 -2.833 326 2HB GLN 40 1HB GLN 40 -3.557 -7.440 -4.377 327 1HG GLN 40 2HG GLN 40 -4.204 -10.260 -3.466 328 2HG GLN 40 1HG GLN 40 -5.203 -9.313 -4.564 329 1HE2 GLN 40 1HE2 GLN 40 -2.654 -11.554 -4.451 330 2HE2 GLN 40 2HE2 GLN 40 -2.067 -11.333 -6.029 331 H SER 41 H SER 41 -1.038 -8.048 -0.779 332 HA SER 41 HA SER 41 -1.151 -5.260 -0.536 333 1HB SER 41 2HB SER 41 0.638 -5.470 1.103 334 2HB SER 41 1HB SER 41 -0.385 -6.883 1.284 335 HG SER 41 HG SER 41 1.154 -8.112 0.471 336 H ALA 42 H ALA 42 1.038 -7.410 -2.144 337 HA ALA 42 HA ALA 42 2.968 -5.600 -3.056 338 1HB ALA 42 1HB ALA 42 2.179 -8.259 -4.219 339 2HB ALA 42 2HB ALA 42 3.275 -8.058 -2.848 340 3HB ALA 42 3HB ALA 42 3.722 -7.431 -4.436 341 H ASN 43 H ASN 43 -0.037 -6.869 -4.474 342 HA ASN 43 HA ASN 43 0.330 -5.811 -7.105 343 1HB ASN 43 2HB ASN 43 -1.284 -7.635 -6.310 344 2HB ASN 43 1HB ASN 43 -2.296 -6.318 -5.713 345 1HD2 ASN 43 1HD2 ASN 43 -3.366 -7.946 -7.674 346 2HD2 ASN 43 2HD2 ASN 43 -3.440 -7.121 -9.156 347 H LEU 44 H LEU 44 -1.088 -4.846 -4.148 348 HA LEU 44 HA LEU 44 -2.315 -2.422 -4.987 349 1HB LEU 44 2HB LEU 44 -1.425 -3.510 -2.328 350 2HB LEU 44 1HB LEU 44 -2.380 -2.049 -2.509 351 HG LEU 44 HG LEU 44 -3.197 -4.606 -3.812 352 1HD1 LEU 44 1HD1 LEU 44 -4.906 -4.586 -1.797 353 2HD1 LEU 44 2HD1 LEU 44 -3.560 -3.802 -0.970 354 3HD1 LEU 44 3HD1 LEU 44 -3.354 -5.406 -1.671 355 1HD2 LEU 44 1HD2 LEU 44 -5.406 -3.403 -3.652 356 2HD2 LEU 44 2HD2 LEU 44 -4.188 -2.696 -4.721 357 3HD2 LEU 44 3HD2 LEU 44 -4.474 -1.997 -3.115 358 H LEU 45 H LEU 45 0.673 -3.452 -3.700 359 HA LEU 45 HA LEU 45 1.927 -0.959 -3.314 360 1HB LEU 45 2HB LEU 45 2.492 -3.705 -3.096 361 2HB LEU 45 1HB LEU 45 3.624 -3.137 -4.301 362 HG LEU 45 HG LEU 45 3.244 -1.698 -1.706 363 1HD1 LEU 45 1HD1 LEU 45 3.729 -4.219 -1.467 364 2HD1 LEU 45 2HD1 LEU 45 4.873 -3.109 -0.696 365 3HD1 LEU 45 3HD1 LEU 45 5.288 -3.863 -2.231 366 1HD2 LEU 45 1HD2 LEU 45 5.887 -1.762 -2.892 367 2HD2 LEU 45 2HD2 LEU 45 4.835 -0.374 -2.603 368 3HD2 LEU 45 3HD2 LEU 45 4.694 -1.282 -4.110 369 H ALA 46 H ALA 46 1.576 -3.256 -5.905 370 HA ALA 46 HA ALA 46 3.206 -2.065 -7.861 371 1HB ALA 46 1HB ALA 46 0.709 -3.504 -8.653 372 2HB ALA 46 2HB ALA 46 1.871 -4.409 -7.687 373 3HB ALA 46 3HB ALA 46 2.358 -3.728 -9.241 374 H GLU 47 H GLU 47 -0.219 -1.898 -7.060 375 HA GLU 47 HA GLU 47 -1.086 -0.153 -9.093 376 1HB GLU 47 2HB GLU 47 -1.959 -1.072 -6.403 377 2HB GLU 47 1HB GLU 47 -2.766 0.342 -7.083 378 1HG GLU 47 2HG GLU 47 -3.659 -0.870 -8.863 379 2HG GLU 47 1HG GLU 47 -2.422 -2.120 -8.766 380 H ALA 48 H ALA 48 0.171 0.254 -5.871 381 HA ALA 48 HA ALA 48 -0.106 2.996 -5.526 382 1HB ALA 48 1HB ALA 48 0.994 0.854 -4.135 383 2HB ALA 48 2HB ALA 48 0.864 2.518 -3.580 384 3HB ALA 48 3HB ALA 48 2.331 1.965 -4.394 385 H LYS 49 H LYS 49 2.531 1.089 -6.850 386 HA LYS 49 HA LYS 49 4.260 3.282 -7.399 387 1HB LYS 49 2HB LYS 49 4.108 0.489 -8.574 388 2HB LYS 49 1HB LYS 49 5.391 1.643 -8.944 389 1HG LYS 49 2HG LYS 49 5.974 1.783 -6.551 390 2HG LYS 49 1HG LYS 49 4.691 0.644 -6.163 391 1HD LYS 49 2HD LYS 49 5.831 -1.018 -7.707 392 2HD LYS 49 1HD LYS 49 7.182 0.112 -7.803 393 1HE LYS 49 2HE LYS 49 6.949 0.016 -5.129 394 2HE LYS 49 1HE LYS 49 6.268 -1.566 -5.503 395 1HZ LYS 49 1HZ LYS 49 8.256 -2.060 -6.802 396 2HZ LYS 49 2HZ LYS 49 8.641 -1.719 -5.182 397 3HZ LYS 49 3HZ LYS 49 8.915 -0.553 -6.387 398 H LYS 50 H LYS 50 1.650 1.655 -9.098 399 HA LYS 50 HA LYS 50 1.998 3.043 -11.595 400 1HB LYS 50 2HB LYS 50 0.075 1.139 -10.412 401 2HB LYS 50 1HB LYS 50 -0.651 2.292 -11.523 402 1HG LYS 50 2HG LYS 50 0.098 1.050 -13.247 403 2HG LYS 50 1HG LYS 50 1.748 1.419 -12.764 404 1HD LYS 50 2HD LYS 50 1.514 -0.988 -12.866 405 2HD LYS 50 1HD LYS 50 1.658 -0.527 -11.177 406 1HE LYS 50 2HE LYS 50 -1.040 -0.432 -11.425 407 2HE LYS 50 1HE LYS 50 -0.678 -1.648 -12.647 408 1HZ LYS 50 1HZ LYS 50 0.867 -2.204 -10.387 409 2HZ LYS 50 2HZ LYS 50 -0.406 -3.121 -11.042 410 3HZ LYS 50 3HZ LYS 50 -0.724 -1.942 -9.862 411 H LEU 51 H LEU 51 0.263 3.520 -8.613 412 HA LEU 51 HA LEU 51 -1.417 5.675 -9.394 413 1HB LEU 51 2HB LEU 51 -0.601 4.292 -6.932 414 2HB LEU 51 1HB LEU 51 -1.010 5.967 -6.716 415 HG LEU 51 HG LEU 51 -2.946 4.496 -6.375 416 1HD1 LEU 51 1HD1 LEU 51 -3.358 6.103 -8.895 417 2HD1 LEU 51 2HD1 LEU 51 -3.084 6.866 -7.322 418 3HD1 LEU 51 3HD1 LEU 51 -4.492 5.829 -7.572 419 1HD2 LEU 51 1HD2 LEU 51 -2.662 2.628 -7.749 420 2HD2 LEU 51 2HD2 LEU 51 -2.198 3.597 -9.148 421 3HD2 LEU 51 3HD2 LEU 51 -3.887 3.533 -8.645 422 H ASN 52 H ASN 52 1.667 5.425 -7.725 423 HA ASN 52 HA ASN 52 2.075 8.151 -7.241 424 1HB ASN 52 2HB ASN 52 3.550 6.919 -6.017 425 2HB ASN 52 1HB ASN 52 3.613 5.637 -7.215 426 1HD2 ASN 52 1HD2 ASN 52 6.027 5.831 -6.441 427 2HD2 ASN 52 2HD2 ASN 52 7.016 6.883 -7.334 428 H ASP 53 H ASP 53 3.103 6.016 -9.833 429 HA ASP 53 HA ASP 53 4.412 7.976 -11.334 430 1HB ASP 53 2HB ASP 53 4.763 5.521 -11.566 431 2HB ASP 53 1HB ASP 53 3.167 5.400 -12.309 432 H ALA 54 H ALA 54 1.126 6.751 -11.255 433 HA ALA 54 HA ALA 54 0.209 7.993 -13.680 434 1HB ALA 54 1HB ALA 54 -1.207 6.900 -11.273 435 2HB ALA 54 2HB ALA 54 -0.917 6.076 -12.812 436 3HB ALA 54 3HB ALA 54 -2.036 7.437 -12.733 437 H GLN 55 H GLN 55 -0.095 8.892 -10.256 438 HA GLN 55 HA GLN 55 -1.795 11.141 -10.859 439 1HB GLN 55 2HB GLN 55 -0.412 10.226 -8.338 440 2HB GLN 55 1HB GLN 55 -1.455 11.644 -8.423 441 1HG GLN 55 2HG GLN 55 -3.315 10.221 -9.219 442 2HG GLN 55 1HG GLN 55 -2.273 8.802 -9.093 443 1HE2 GLN 55 1HE2 GLN 55 -1.262 10.721 -6.591 444 2HE2 GLN 55 2HE2 GLN 55 -2.270 10.108 -5.365 445 H ALA 56 H ALA 56 1.485 10.675 -9.666 446 HA ALA 56 HA ALA 56 3.202 12.231 -9.326 447 1HB ALA 56 1HB ALA 56 2.320 13.021 -12.116 448 2HB ALA 56 2HB ALA 56 3.339 11.633 -11.739 449 3HB ALA 56 3HB ALA 56 3.920 13.267 -11.413 450 HA PRO 57 HA PRO 57 -0.304 15.239 -8.086 451 1HB PRO 57 2HB PRO 57 1.353 15.789 -5.778 452 2HB PRO 57 1HB PRO 57 -0.221 14.976 -5.850 453 1HG PRO 57 2HG PRO 57 2.480 13.833 -5.771 454 2HG PRO 57 1HG PRO 57 0.932 13.126 -5.278 455 1HD PRO 57 2HD PRO 57 2.199 12.287 -7.499 456 2HD PRO 57 1HD PRO 57 0.429 12.387 -7.444 457 H LYS 58 H LYS 58 0.045 16.777 -9.613 458 HA LYS 58 HA LYS 58 2.456 18.390 -9.710 459 1HB LYS 58 2HB LYS 58 -0.134 18.345 -11.258 460 2HB LYS 58 1HB LYS 58 1.035 19.649 -11.466 461 1HG LYS 58 2HG LYS 58 2.532 18.318 -12.562 462 2HG LYS 58 1HG LYS 58 2.190 16.918 -11.552 463 1HD LYS 58 2HD LYS 58 0.104 17.866 -13.504 464 2HD LYS 58 1HD LYS 58 1.468 16.914 -14.090 465 1HE LYS 58 2HE LYS 58 0.907 15.060 -12.692 466 2HE LYS 58 1HE LYS 58 -0.231 16.021 -11.746 467 1HZ LYS 58 1HZ LYS 58 -1.636 16.230 -13.681 468 2HZ LYS 58 2HZ LYS 58 -1.347 14.588 -13.355 469 3HZ LYS 58 3HZ LYS 58 -0.527 15.362 -14.626 Start of MODEL 36 1 1H VAL 1 1HT VAL 1 -5.419 -18.555 16.010 2 2H VAL 1 2HT VAL 1 -5.624 -17.089 15.174 3 3H VAL 1 3HT VAL 1 -5.137 -17.082 16.801 4 HA VAL 1 HA VAL 1 -3.016 -17.851 16.325 5 HB VAL 1 HB VAL 1 -3.859 -19.664 14.799 6 1HG1 VAL 1 1HG1 VAL 1 -5.209 -18.080 13.348 7 2HG1 VAL 1 2HG1 VAL 1 -4.213 -19.230 12.457 8 3HG1 VAL 1 3HG1 VAL 1 -3.688 -17.556 12.623 9 1HG2 VAL 1 1HG2 VAL 1 -1.819 -19.869 13.579 10 2HG2 VAL 1 2HG2 VAL 1 -1.400 -18.958 15.030 11 3HG2 VAL 1 3HG2 VAL 1 -1.604 -18.120 13.491 12 H ASP 2 H ASP 2 -1.297 -16.666 15.232 13 HA ASP 2 HA ASP 2 -1.966 -13.921 14.809 14 1HB ASP 2 2HB ASP 2 0.181 -14.661 15.811 15 2HB ASP 2 1HB ASP 2 0.648 -15.356 14.260 16 H ASN 3 H ASN 3 -2.209 -12.786 12.975 17 HA ASN 3 HA ASN 3 -2.417 -14.266 10.456 18 1HB ASN 3 2HB ASN 3 -3.125 -11.388 11.091 19 2HB ASN 3 1HB ASN 3 -3.537 -12.264 9.619 20 1HD2 ASN 3 1HD2 ASN 3 -4.449 -14.717 10.594 21 2HD2 ASN 3 2HD2 ASN 3 -5.803 -14.475 11.588 22 H LYS 4 H LYS 4 -1.185 -13.852 8.657 23 HA LYS 4 HA LYS 4 1.373 -12.599 9.107 24 1HB LYS 4 2HB LYS 4 0.288 -13.785 6.550 25 2HB LYS 4 1HB LYS 4 1.975 -13.426 6.903 26 1HG LYS 4 2HG LYS 4 0.305 -15.388 8.511 27 2HG LYS 4 1HG LYS 4 1.355 -15.859 7.178 28 1HD LYS 4 2HD LYS 4 3.215 -15.711 8.456 29 2HD LYS 4 1HD LYS 4 2.750 -14.141 9.100 30 1HE LYS 4 2HE LYS 4 1.511 -16.738 10.047 31 2HE LYS 4 1HE LYS 4 2.920 -16.008 10.818 32 1HZ LYS 4 1HZ LYS 4 1.394 -14.918 12.016 33 2HZ LYS 4 2HZ LYS 4 0.146 -15.204 10.901 34 3HZ LYS 4 3HZ LYS 4 1.236 -13.925 10.651 35 H PHE 5 H PHE 5 -1.461 -11.294 8.590 36 HA PHE 5 HA PHE 5 -1.387 -9.622 6.382 37 1HB PHE 5 2HB PHE 5 -2.518 -9.371 9.151 38 2HB PHE 5 1HB PHE 5 -2.581 -8.012 8.040 39 HD1 PHE 5 1HD PHE 5 -2.931 -11.697 7.380 40 HD2 PHE 5 2HD PHE 5 -4.797 -7.811 7.390 41 HE1 PHE 5 1HE PHE 5 -4.973 -12.647 6.304 42 HE2 PHE 5 2HE PHE 5 -6.811 -8.762 6.322 43 HZ PHE 5 HZ PHE 5 -6.901 -11.161 5.774 44 H ASN 6 H ASN 6 -0.394 -8.795 9.708 45 HA ASN 6 HA ASN 6 0.465 -6.224 9.209 46 1HB ASN 6 2HB ASN 6 1.623 -8.175 11.192 47 2HB ASN 6 1HB ASN 6 1.801 -6.424 11.241 48 1HD2 ASN 6 1HD2 ASN 6 0.218 -8.614 12.932 49 2HD2 ASN 6 2HD2 ASN 6 -1.289 -7.863 13.154 50 H LYS 7 H LYS 7 2.473 -9.186 9.144 51 HA LYS 7 HA LYS 7 4.887 -7.888 8.531 52 1HB LYS 7 2HB LYS 7 5.016 -10.122 9.250 53 2HB LYS 7 1HB LYS 7 3.876 -10.678 8.035 54 1HG LYS 7 2HG LYS 7 6.200 -11.320 7.457 55 2HG LYS 7 1HG LYS 7 5.517 -10.239 6.254 56 1HD LYS 7 2HD LYS 7 7.753 -9.474 6.689 57 2HD LYS 7 1HD LYS 7 6.676 -8.320 7.459 58 1HE LYS 7 2HE LYS 7 8.576 -8.935 8.918 59 2HE LYS 7 1HE LYS 7 7.033 -9.399 9.631 60 1HZ LYS 7 1HZ LYS 7 7.379 -11.629 9.107 61 2HZ LYS 7 2HZ LYS 7 8.904 -11.105 9.644 62 3HZ LYS 7 3HZ LYS 7 8.600 -11.286 7.982 63 H GLU 8 H GLU 8 2.342 -9.168 6.425 64 HA GLU 8 HA GLU 8 3.701 -8.553 3.972 65 1HB GLU 8 2HB GLU 8 1.890 -10.265 4.285 66 2HB GLU 8 1HB GLU 8 0.739 -8.953 4.526 67 1HG GLU 8 2HG GLU 8 0.694 -8.405 2.328 68 2HG GLU 8 1HG GLU 8 2.405 -8.742 2.085 69 H ARG 9 H ARG 9 1.479 -6.914 6.096 70 HA ARG 9 HA ARG 9 0.942 -4.699 4.418 71 1HB ARG 9 2HB ARG 9 0.399 -5.284 7.319 72 2HB ARG 9 1HB ARG 9 -0.026 -3.747 6.570 73 1HG ARG 9 2HG ARG 9 -1.464 -4.822 4.986 74 2HG ARG 9 1HG ARG 9 -0.904 -6.419 5.436 75 1HD ARG 9 2HD ARG 9 -2.995 -6.188 6.516 76 2HD ARG 9 1HD ARG 9 -1.813 -5.880 7.785 77 HE ARG 9 HE ARG 9 -3.646 -3.949 6.606 78 1HH1 ARG 9 1HH2 ARG 9 -2.330 -4.534 9.493 79 2HH1 ARG 9 2HH2 ARG 9 -1.656 -2.966 9.783 80 1HH2 ARG 9 1HH1 ARG 9 -2.088 -1.887 6.520 81 2HH2 ARG 9 2HH1 ARG 9 -1.520 -1.468 8.101 82 H VAL 10 H VAL 10 3.314 -5.344 6.956 83 HA VAL 10 HA VAL 10 4.099 -2.675 7.470 84 HB VAL 10 HB VAL 10 5.965 -5.066 7.516 85 1HG1 VAL 10 1HG1 VAL 10 6.063 -2.540 9.187 86 2HG1 VAL 10 2HG1 VAL 10 6.894 -2.681 7.636 87 3HG1 VAL 10 3HG1 VAL 10 7.329 -3.748 8.974 88 1HG2 VAL 10 1HG2 VAL 10 3.709 -4.468 9.257 89 2HG2 VAL 10 2HG2 VAL 10 5.228 -4.502 10.149 90 3HG2 VAL 10 3HG2 VAL 10 4.741 -5.902 9.192 91 H ILE 11 H ILE 11 5.290 -5.180 5.423 92 HA ILE 11 HA ILE 11 7.375 -3.827 4.178 93 HB ILE 11 HB ILE 11 5.593 -6.089 3.249 94 1HG1 ILE 11 2HG1 ILE 11 8.340 -6.215 4.536 95 2HG1 ILE 11 1HG1 ILE 11 6.843 -6.345 5.466 96 1HG2 ILE 11 1HG2 ILE 11 6.899 -4.985 1.417 97 2HG2 ILE 11 2HG2 ILE 11 7.342 -6.675 1.706 98 3HG2 ILE 11 3HG2 ILE 11 8.377 -5.373 2.304 99 1HD1 ILE 11 1HD1 ILE 11 7.445 -8.125 3.084 100 2HD1 ILE 11 2HD1 ILE 11 6.200 -8.351 4.320 101 3HD1 ILE 11 3HD1 ILE 11 7.903 -8.557 4.735 102 H ALA 12 H ALA 12 4.041 -4.400 3.235 103 HA ALA 12 HA ALA 12 4.098 -2.945 0.803 104 1HB ALA 12 1HB ALA 12 2.487 -4.559 0.949 105 2HB ALA 12 2HB ALA 12 1.556 -3.089 1.240 106 3HB ALA 12 3HB ALA 12 2.039 -4.120 2.607 107 H ILE 13 H ILE 13 2.756 -2.112 4.032 108 HA ILE 13 HA ILE 13 1.757 0.408 3.280 109 HB ILE 13 HB ILE 13 1.224 -0.842 5.431 110 1HG1 ILE 13 2HG1 ILE 13 1.788 2.027 5.073 111 2HG1 ILE 13 1HG1 ILE 13 0.327 1.236 5.638 112 1HG2 ILE 13 1HG2 ILE 13 3.756 0.413 6.519 113 2HG2 ILE 13 2HG2 ILE 13 3.745 -1.220 5.889 114 3HG2 ILE 13 3HG2 ILE 13 2.731 -0.816 7.260 115 1HD1 ILE 13 1HD1 ILE 13 2.811 1.881 7.229 116 2HD1 ILE 13 2HD1 ILE 13 1.519 0.836 7.830 117 3HD1 ILE 13 3HD1 ILE 13 1.186 2.531 7.470 118 H GLY 14 H GLY 14 4.838 -0.765 4.390 119 1HA GLY 14 2HA GLY 14 6.115 1.706 4.752 120 2HA GLY 14 1HA GLY 14 6.916 0.143 4.513 121 H GLU 15 H GLU 15 5.681 -0.527 1.988 122 HA GLU 15 HA GLU 15 7.414 0.868 0.207 123 1HB GLU 15 2HB GLU 15 5.026 -0.940 -0.276 124 2HB GLU 15 1HB GLU 15 6.094 -0.351 -1.546 125 1HG GLU 15 2HG GLU 15 7.655 -1.523 0.597 126 2HG GLU 15 1HG GLU 15 6.421 -2.662 0.043 127 H ILE 16 H ILE 16 3.952 0.839 0.776 128 HA ILE 16 HA ILE 16 3.296 2.743 -1.178 129 HB ILE 16 HB ILE 16 1.811 1.436 1.069 130 1HG1 ILE 16 2HG1 ILE 16 1.768 1.259 -1.947 131 2HG1 ILE 16 1HG1 ILE 16 2.650 0.186 -0.888 132 1HG2 ILE 16 1HG2 ILE 16 0.975 3.883 0.069 133 2HG2 ILE 16 2HG2 ILE 16 -0.079 2.639 0.738 134 3HG2 ILE 16 3HG2 ILE 16 0.173 2.742 -1.014 135 1HD1 ILE 16 1HD1 ILE 16 -0.186 0.209 -1.606 136 2HD1 ILE 16 2HD1 ILE 16 0.107 0.032 0.136 137 3HD1 ILE 16 3HD1 ILE 16 0.830 -1.119 -1.009 138 H MET 17 H MET 17 3.850 3.040 2.276 139 HA MET 17 HA MET 17 2.976 5.739 2.494 140 1HB MET 17 2HB MET 17 4.753 3.985 4.205 141 2HB MET 17 1HB MET 17 4.395 5.668 4.629 142 1HG MET 17 2HG MET 17 2.259 3.597 4.058 143 2HG MET 17 1HG MET 17 2.835 3.965 5.680 144 1HE MET 17 1HE MET 17 -0.854 5.419 4.787 145 2HE MET 17 2HE MET 17 0.009 4.023 5.432 146 3HE MET 17 3HE MET 17 -0.051 4.278 3.693 147 H ARG 18 H ARG 18 5.841 4.251 1.273 148 HA ARG 18 HA ARG 18 7.662 6.431 1.569 149 1HB ARG 18 2HB ARG 18 8.421 4.128 1.206 150 2HB ARG 18 1HB ARG 18 7.628 4.099 -0.364 151 1HG ARG 18 2HG ARG 18 9.090 5.976 -1.109 152 2HG ARG 18 1HG ARG 18 9.929 5.904 0.444 153 1HD ARG 18 2HD ARG 18 10.491 3.517 -0.025 154 2HD ARG 18 1HD ARG 18 9.731 3.680 -1.607 155 HE ARG 18 HE ARG 18 12.024 5.389 -0.824 156 1HH1 ARG 18 1HH1 ARG 18 12.822 2.716 -1.907 157 2HH1 ARG 18 2HH1 ARG 18 12.979 3.030 -3.603 158 1HH2 ARG 18 1HH2 ARG 18 11.198 5.998 -3.483 159 2HH2 ARG 18 2HH2 ARG 18 12.059 4.887 -4.494 160 H LEU 19 H LEU 19 5.338 5.427 -0.856 161 HA LEU 19 HA LEU 19 5.991 6.791 -3.091 162 1HB LEU 19 2HB LEU 19 3.204 6.598 -1.953 163 2HB LEU 19 1HB LEU 19 3.651 6.749 -3.655 164 HG LEU 19 HG LEU 19 4.435 4.441 -1.847 165 1HD1 LEU 19 1HD1 LEU 19 2.525 4.400 -4.183 166 2HD1 LEU 19 2HD1 LEU 19 2.011 4.483 -2.498 167 3HD1 LEU 19 3HD1 LEU 19 2.903 3.080 -3.076 168 1HD2 LEU 19 1HD2 LEU 19 5.241 5.308 -4.566 169 2HD2 LEU 19 2HD2 LEU 19 4.939 3.580 -4.344 170 3HD2 LEU 19 3HD2 LEU 19 6.141 4.401 -3.341 171 HA PRO 20 HA PRO 20 6.041 11.009 -1.434 172 1HB PRO 20 2HB PRO 20 7.382 11.870 -3.821 173 2HB PRO 20 1HB PRO 20 8.070 11.621 -2.213 174 1HG PRO 20 2HG PRO 20 8.553 10.098 -4.502 175 2HG PRO 20 1HG PRO 20 9.017 9.694 -2.840 176 1HD PRO 20 2HD PRO 20 6.835 8.600 -4.497 177 2HD PRO 20 1HD PRO 20 7.637 7.903 -3.074 178 H ASN 21 H ASN 21 4.610 9.817 -4.360 179 HA ASN 21 HA ASN 21 3.667 12.474 -5.177 180 1HB ASN 21 2HB ASN 21 3.216 9.739 -6.384 181 2HB ASN 21 1HB ASN 21 2.670 11.238 -7.096 182 1HD2 ASN 21 1HD2 ASN 21 4.808 9.262 -8.014 183 2HD2 ASN 21 2HD2 ASN 21 6.202 10.206 -8.227 184 H LEU 22 H LEU 22 2.078 9.382 -4.541 185 HA LEU 22 HA LEU 22 -0.537 10.031 -4.540 186 1HB LEU 22 2HB LEU 22 0.919 8.287 -2.561 187 2HB LEU 22 1HB LEU 22 -0.837 8.299 -2.765 188 HG LEU 22 HG LEU 22 0.924 7.946 -5.165 189 1HD1 LEU 22 1HD1 LEU 22 1.727 6.358 -3.482 190 2HD1 LEU 22 2HD1 LEU 22 0.899 5.534 -4.799 191 3HD1 LEU 22 3HD1 LEU 22 0.086 5.761 -3.251 192 1HD2 LEU 22 1HD2 LEU 22 -1.060 7.579 -6.135 193 2HD2 LEU 22 2HD2 LEU 22 -1.848 7.994 -4.611 194 3HD2 LEU 22 3HD2 LEU 22 -1.433 6.311 -4.959 195 H ASN 23 H ASN 23 -2.106 10.593 -3.094 196 HA ASN 23 HA ASN 23 -1.293 12.540 -1.051 197 1HB ASN 23 2HB ASN 23 -3.856 12.788 -0.880 198 2HB ASN 23 1HB ASN 23 -3.102 13.347 -2.369 199 1HD2 ASN 23 1HD2 ASN 23 -3.730 12.326 -4.324 200 2HD2 ASN 23 2HD2 ASN 23 -4.806 11.014 -4.391 201 H SER 24 H SER 24 -2.194 12.281 1.133 202 HA SER 24 HA SER 24 -1.563 9.849 2.244 203 1HB SER 24 2HB SER 24 -2.866 10.521 4.211 204 2HB SER 24 1HB SER 24 -1.796 11.794 3.619 205 HG SER 24 HG SER 24 -4.587 11.519 3.143 206 H LEU 25 H LEU 25 -4.684 10.860 0.948 207 HA LEU 25 HA LEU 25 -6.219 8.743 2.010 208 1HB LEU 25 2HB LEU 25 -6.627 10.123 -0.638 209 2HB LEU 25 1HB LEU 25 -7.829 9.279 0.322 210 HG LEU 25 HG LEU 25 -7.226 11.011 2.181 211 1HD1 LEU 25 1HD1 LEU 25 -6.810 13.238 0.645 212 2HD1 LEU 25 2HD1 LEU 25 -5.795 12.068 -0.195 213 3HD1 LEU 25 3HD1 LEU 25 -5.528 12.399 1.515 214 1HD2 LEU 25 1HD2 LEU 25 -9.390 11.100 1.306 215 2HD2 LEU 25 2HD2 LEU 25 -8.806 11.387 -0.335 216 3HD2 LEU 25 3HD2 LEU 25 -8.761 12.689 0.858 217 H GLN 26 H GLN 26 -4.562 9.102 -1.113 218 HA GLN 26 HA GLN 26 -5.248 6.548 -2.067 219 1HB GLN 26 2HB GLN 26 -3.058 8.450 -2.700 220 2HB GLN 26 1HB GLN 26 -3.128 6.872 -3.452 221 1HG GLN 26 2HG GLN 26 -5.503 8.728 -3.430 222 2HG GLN 26 1HG GLN 26 -4.267 8.837 -4.690 223 1HE2 GLN 26 1HE2 GLN 26 -6.092 8.192 -6.193 224 2HE2 GLN 26 2HE2 GLN 26 -6.469 6.546 -6.351 225 H VAL 27 H VAL 27 -2.518 7.859 -0.362 226 HA VAL 27 HA VAL 27 -0.878 5.612 -0.216 227 HB VAL 27 HB VAL 27 -1.335 8.043 1.509 228 1HG1 VAL 27 1HG1 VAL 27 0.263 5.663 2.179 229 2HG1 VAL 27 2HG1 VAL 27 -0.424 6.920 3.223 230 3HG1 VAL 27 3HG1 VAL 27 1.084 7.216 2.355 231 1HG2 VAL 27 1HG2 VAL 27 0.708 7.159 -0.516 232 2HG2 VAL 27 2HG2 VAL 27 1.120 8.386 0.679 233 3HG2 VAL 27 3HG2 VAL 27 -0.204 8.666 -0.449 234 H VAL 28 H VAL 28 -3.470 6.817 1.784 235 HA VAL 28 HA VAL 28 -3.411 4.657 3.655 236 HB VAL 28 HB VAL 28 -5.491 6.780 3.247 237 1HG1 VAL 28 1HG1 VAL 28 -6.368 4.739 4.390 238 2HG1 VAL 28 2HG1 VAL 28 -6.187 6.067 5.541 239 3HG1 VAL 28 3HG1 VAL 28 -4.978 4.777 5.485 240 1HG2 VAL 28 1HG2 VAL 28 -2.872 6.988 4.067 241 2HG2 VAL 28 2HG2 VAL 28 -3.697 6.694 5.600 242 3HG2 VAL 28 3HG2 VAL 28 -4.166 8.072 4.599 243 H ALA 29 H ALA 29 -5.118 5.395 0.778 244 HA ALA 29 HA ALA 29 -7.243 3.618 0.806 245 1HB ALA 29 1HB ALA 29 -5.487 4.099 -1.597 246 2HB ALA 29 2HB ALA 29 -6.524 5.378 -0.951 247 3HB ALA 29 3HB ALA 29 -7.237 3.872 -1.535 248 H PHE 30 H PHE 30 -3.857 3.271 0.048 249 HA PHE 30 HA PHE 30 -4.036 0.588 -0.767 250 1HB PHE 30 2HB PHE 30 -1.834 2.450 -0.003 251 2HB PHE 30 1HB PHE 30 -1.546 0.745 -0.317 252 HD1 PHE 30 1HD PHE 30 -1.813 3.902 -1.821 253 HD2 PHE 30 2HD PHE 30 -2.743 -0.229 -2.434 254 HE1 PHE 30 1HE PHE 30 -2.071 4.323 -4.204 255 HE2 PHE 30 2HE PHE 30 -2.917 0.171 -4.844 256 HZ PHE 30 HZ PHE 30 -2.609 2.451 -5.760 257 H ILE 31 H ILE 31 -3.290 2.318 2.277 258 HA ILE 31 HA ILE 31 -2.431 0.062 3.736 259 HB ILE 31 HB ILE 31 -4.300 2.209 4.811 260 1HG1 ILE 31 2HG1 ILE 31 -1.281 2.140 4.971 261 2HG1 ILE 31 1HG1 ILE 31 -2.177 3.145 3.840 262 1HG2 ILE 31 1HG2 ILE 31 -4.204 0.329 6.313 263 2HG2 ILE 31 2HG2 ILE 31 -3.159 1.580 6.986 264 3HG2 ILE 31 3HG2 ILE 31 -2.451 0.207 6.137 265 1HD1 ILE 31 1HD1 ILE 31 -3.339 3.469 6.445 266 2HD1 ILE 31 2HD1 ILE 31 -2.531 4.681 5.464 267 3HD1 ILE 31 3HD1 ILE 31 -1.598 3.696 6.585 268 H ASN 32 H ASN 32 -5.561 1.350 2.870 269 HA ASN 32 HA ASN 32 -7.170 -0.481 4.322 270 1HB ASN 32 2HB ASN 32 -7.558 1.497 2.114 271 2HB ASN 32 1HB ASN 32 -8.854 0.351 2.453 272 1HD2 ASN 32 1HD2 ASN 32 -6.579 2.082 4.659 273 2HD2 ASN 32 2HD2 ASN 32 -7.803 2.801 5.590 274 H SER 33 H SER 33 -6.003 -0.488 0.957 275 HA SER 33 HA SER 33 -7.480 -2.749 0.173 276 1HB SER 33 2HB SER 33 -4.820 -1.880 -0.932 277 2HB SER 33 1HB SER 33 -6.094 -2.785 -1.742 278 HG SER 33 HG SER 33 -6.309 -0.136 -0.749 279 H LEU 34 H LEU 34 -4.311 -2.379 1.687 280 HA LEU 34 HA LEU 34 -3.339 -5.009 1.365 281 1HB LEU 34 2HB LEU 34 -2.874 -3.681 4.014 282 2HB LEU 34 1HB LEU 34 -1.778 -4.650 3.040 283 HG LEU 34 HG LEU 34 -2.581 -1.791 2.636 284 1HD1 LEU 34 1HD1 LEU 34 -0.013 -1.615 2.570 285 2HD1 LEU 34 2HD1 LEU 34 -0.035 -3.225 3.286 286 3HD1 LEU 34 3HD1 LEU 34 -0.789 -1.874 4.133 287 1HD2 LEU 34 1HD2 LEU 34 -2.548 -2.604 0.403 288 2HD2 LEU 34 2HD2 LEU 34 -1.211 -3.695 0.752 289 3HD2 LEU 34 3HD2 LEU 34 -0.927 -1.960 0.665 290 H ARG 35 H ARG 35 -5.365 -3.668 3.965 291 HA ARG 35 HA ARG 35 -5.566 -6.162 5.361 292 1HB ARG 35 2HB ARG 35 -6.746 -4.996 6.944 293 2HB ARG 35 1HB ARG 35 -5.959 -3.652 6.130 294 1HG ARG 35 2HG ARG 35 -8.052 -3.524 4.653 295 2HG ARG 35 1HG ARG 35 -8.812 -4.590 5.826 296 1HD ARG 35 2HD ARG 35 -8.207 -2.947 7.620 297 2HD ARG 35 1HD ARG 35 -7.609 -1.858 6.367 298 HE ARG 35 HE ARG 35 -10.427 -2.620 6.808 299 1HH1 ARG 35 1HH1 ARG 35 -9.684 -2.122 3.891 300 2HH1 ARG 35 2HH1 ARG 35 -10.081 -0.445 3.721 301 1HH2 ARG 35 1HH2 ARG 35 -10.220 0.136 7.132 302 2HH2 ARG 35 2HH2 ARG 35 -10.379 0.834 5.555 303 H ASP 36 H ASP 36 -7.400 -4.535 2.887 304 HA ASP 36 HA ASP 36 -9.677 -6.255 2.918 305 1HB ASP 36 2HB ASP 36 -8.513 -4.455 0.763 306 2HB ASP 36 1HB ASP 36 -10.076 -5.260 0.648 307 H ASP 37 H ASP 37 -6.448 -6.429 1.797 308 HA ASP 37 HA ASP 37 -6.631 -9.174 1.062 309 1HB ASP 37 2HB ASP 37 -7.670 -7.914 -0.936 310 2HB ASP 37 1HB ASP 37 -6.033 -7.377 -1.276 311 HA PRO 38 HA PRO 38 -2.412 -7.755 2.177 312 1HB PRO 38 2HB PRO 38 -1.956 -10.339 3.372 313 2HB PRO 38 1HB PRO 38 -2.136 -8.771 4.174 314 1HG PRO 38 2HG PRO 38 -3.931 -10.874 4.281 315 2HG PRO 38 1HG PRO 38 -4.250 -9.197 4.732 316 1HD PRO 38 2HD PRO 38 -5.092 -10.670 2.304 317 2HD PRO 38 1HD PRO 38 -5.837 -9.262 3.092 318 H SER 39 H SER 39 -3.448 -10.838 0.815 319 HA SER 39 HA SER 39 -0.982 -11.744 -0.194 320 1HB SER 39 2HB SER 39 -3.727 -12.154 -1.417 321 2HB SER 39 1HB SER 39 -2.299 -13.150 -1.677 322 HG SER 39 HG SER 39 -2.955 -12.771 0.965 323 H GLN 40 H GLN 40 -3.283 -9.369 -1.223 324 HA GLN 40 HA GLN 40 -1.820 -8.906 -3.712 325 1HB GLN 40 2HB GLN 40 -4.498 -7.861 -2.782 326 2HB GLN 40 1HB GLN 40 -3.750 -7.477 -4.330 327 1HG GLN 40 2HG GLN 40 -4.408 -10.285 -3.394 328 2HG GLN 40 1HG GLN 40 -5.408 -9.342 -4.494 329 1HE2 GLN 40 1HE2 GLN 40 -2.995 -11.674 -4.442 330 2HE2 GLN 40 2HE2 GLN 40 -2.360 -11.430 -5.997 331 H SER 41 H SER 41 -1.253 -8.028 -0.714 332 HA SER 41 HA SER 41 -1.341 -5.219 -0.584 333 1HB SER 41 2HB SER 41 0.344 -5.367 1.134 334 2HB SER 41 1HB SER 41 -0.622 -6.821 1.307 335 HG SER 41 HG SER 41 1.773 -7.021 1.243 336 H ALA 42 H ALA 42 0.952 -7.466 -1.966 337 HA ALA 42 HA ALA 42 2.878 -5.687 -2.876 338 1HB ALA 42 1HB ALA 42 2.051 -8.348 -4.005 339 2HB ALA 42 2HB ALA 42 3.223 -8.108 -2.707 340 3HB ALA 42 3HB ALA 42 3.575 -7.523 -4.334 341 H ASN 43 H ASN 43 -0.113 -6.860 -4.340 342 HA ASN 43 HA ASN 43 0.305 -5.768 -6.950 343 1HB ASN 43 2HB ASN 43 -1.324 -7.597 -6.141 344 2HB ASN 43 1HB ASN 43 -2.342 -6.255 -5.623 345 1HD2 ASN 43 1HD2 ASN 43 -3.329 -7.965 -7.596 346 2HD2 ASN 43 2HD2 ASN 43 -3.352 -7.168 -9.095 347 H LEU 44 H LEU 44 -1.130 -4.817 -3.985 348 HA LEU 44 HA LEU 44 -2.414 -2.432 -4.865 349 1HB LEU 44 2HB LEU 44 -1.601 -3.543 -2.207 350 2HB LEU 44 1HB LEU 44 -2.551 -2.082 -2.369 351 HG LEU 44 HG LEU 44 -3.326 -4.619 -3.757 352 1HD1 LEU 44 1HD1 LEU 44 -5.093 -4.634 -1.791 353 2HD1 LEU 44 2HD1 LEU 44 -3.783 -3.846 -0.913 354 3HD1 LEU 44 3HD1 LEU 44 -3.540 -5.440 -1.620 355 1HD2 LEU 44 1HD2 LEU 44 -4.603 -2.008 -3.061 356 2HD2 LEU 44 2HD2 LEU 44 -5.540 -3.402 -3.623 357 3HD2 LEU 44 3HD2 LEU 44 -4.291 -2.699 -4.662 358 H LEU 45 H LEU 45 0.505 -3.205 -3.171 359 HA LEU 45 HA LEU 45 1.462 -0.529 -3.042 360 1HB LEU 45 2HB LEU 45 2.948 -1.499 -1.658 361 2HB LEU 45 1HB LEU 45 2.115 -2.996 -1.933 362 HG LEU 45 HG LEU 45 3.596 -3.270 -3.969 363 1HD1 LEU 45 1HD1 LEU 45 4.935 -1.524 -4.456 364 2HD1 LEU 45 2HD1 LEU 45 5.763 -1.755 -2.921 365 3HD1 LEU 45 3HD1 LEU 45 4.361 -0.670 -3.016 366 1HD2 LEU 45 1HD2 LEU 45 3.776 -4.445 -1.727 367 2HD2 LEU 45 2HD2 LEU 45 4.936 -3.201 -1.254 368 3HD2 LEU 45 3HD2 LEU 45 5.312 -4.290 -2.591 369 H ALA 46 H ALA 46 1.555 -3.155 -5.275 370 HA ALA 46 HA ALA 46 3.484 -2.106 -7.121 371 1HB ALA 46 1HB ALA 46 2.300 -3.580 -8.778 372 2HB ALA 46 2HB ALA 46 1.124 -3.959 -7.527 373 3HB ALA 46 3HB ALA 46 2.810 -4.440 -7.325 374 H GLU 47 H GLU 47 -0.022 -1.931 -6.700 375 HA GLU 47 HA GLU 47 -0.570 -0.344 -8.989 376 1HB GLU 47 2HB GLU 47 -1.932 -1.312 -6.565 377 2HB GLU 47 1HB GLU 47 -2.501 0.266 -7.117 378 1HG GLU 47 2HG GLU 47 -2.486 -2.342 -8.645 379 2HG GLU 47 1HG GLU 47 -3.869 -1.337 -8.218 380 H ALA 48 H ALA 48 0.122 0.251 -5.649 381 HA ALA 48 HA ALA 48 -0.280 2.992 -5.499 382 1HB ALA 48 1HB ALA 48 0.287 1.207 -3.693 383 2HB ALA 48 2HB ALA 48 0.799 2.875 -3.470 384 3HB ALA 48 3HB ALA 48 1.948 1.665 -4.044 385 H LYS 49 H LYS 49 2.586 1.118 -6.370 386 HA LYS 49 HA LYS 49 4.273 3.379 -6.811 387 1HB LYS 49 2HB LYS 49 4.381 0.520 -7.809 388 2HB LYS 49 1HB LYS 49 5.608 1.722 -8.216 389 1HG LYS 49 2HG LYS 49 6.009 2.119 -5.802 390 2HG LYS 49 1HG LYS 49 4.815 0.887 -5.406 391 1HD LYS 49 2HD LYS 49 6.173 -0.810 -6.587 392 2HD LYS 49 1HD LYS 49 7.371 0.425 -6.977 393 1HE LYS 49 2HE LYS 49 8.174 0.525 -4.822 394 2HE LYS 49 1HE LYS 49 6.604 0.165 -4.108 395 1HZ LYS 49 1HZ LYS 49 6.853 -2.134 -4.831 396 2HZ LYS 49 2HZ LYS 49 8.129 -1.672 -3.811 397 3HZ LYS 49 3HZ LYS 49 8.375 -1.780 -5.489 398 H LYS 50 H LYS 50 1.945 1.579 -8.710 399 HA LYS 50 HA LYS 50 2.494 2.828 -11.233 400 1HB LYS 50 2HB LYS 50 1.166 0.622 -10.614 401 2HB LYS 50 1HB LYS 50 -0.201 1.720 -10.492 402 1HG LYS 50 2HG LYS 50 -0.431 1.569 -12.727 403 2HG LYS 50 1HG LYS 50 1.085 2.450 -12.885 404 1HD LYS 50 2HD LYS 50 1.335 0.413 -14.142 405 2HD LYS 50 1HD LYS 50 2.295 0.229 -12.676 406 1HE LYS 50 2HE LYS 50 0.971 -1.811 -13.143 407 2HE LYS 50 1HE LYS 50 0.469 -1.067 -11.628 408 1HZ LYS 50 1HZ LYS 50 -1.173 -1.726 -13.681 409 2HZ LYS 50 2HZ LYS 50 -0.948 -0.058 -13.914 410 3HZ LYS 50 3HZ LYS 50 -1.548 -0.638 -12.434 411 H LEU 51 H LEU 51 0.391 3.388 -8.507 412 HA LEU 51 HA LEU 51 -1.237 5.476 -9.531 413 1HB LEU 51 2HB LEU 51 -0.624 4.191 -6.955 414 2HB LEU 51 1HB LEU 51 -1.156 5.835 -6.850 415 HG LEU 51 HG LEU 51 -2.992 4.222 -6.633 416 1HD1 LEU 51 1HD1 LEU 51 -4.519 5.356 -8.176 417 2HD1 LEU 51 2HD1 LEU 51 -3.145 5.985 -9.082 418 3HD1 LEU 51 3HD1 LEU 51 -3.410 6.503 -7.407 419 1HD2 LEU 51 1HD2 LEU 51 -2.539 2.362 -7.953 420 2HD2 LEU 51 2HD2 LEU 51 -1.944 3.336 -9.301 421 3HD2 LEU 51 3HD2 LEU 51 -3.678 3.219 -8.999 422 H ASN 52 H ASN 52 1.629 5.314 -7.541 423 HA ASN 52 HA ASN 52 1.963 8.004 -6.913 424 1HB ASN 52 2HB ASN 52 3.112 6.145 -5.798 425 2HB ASN 52 1HB ASN 52 3.977 5.769 -7.280 426 1HD2 ASN 52 1HD2 ASN 52 5.843 7.022 -7.788 427 2HD2 ASN 52 2HD2 ASN 52 6.451 8.226 -6.756 428 H ASP 53 H ASP 53 3.258 6.013 -9.474 429 HA ASP 53 HA ASP 53 4.624 8.079 -10.813 430 1HB ASP 53 2HB ASP 53 3.752 5.333 -11.701 431 2HB ASP 53 1HB ASP 53 4.840 6.374 -12.618 432 H ALA 54 H ALA 54 1.459 6.571 -11.169 433 HA ALA 54 HA ALA 54 0.787 7.750 -13.688 434 1HB ALA 54 1HB ALA 54 -0.878 6.566 -11.489 435 2HB ALA 54 2HB ALA 54 -0.287 5.740 -12.939 436 3HB ALA 54 3HB ALA 54 -1.507 7.006 -13.076 437 H GLN 55 H GLN 55 -0.026 8.629 -10.342 438 HA GLN 55 HA GLN 55 -1.819 10.727 -11.188 439 1HB GLN 55 2HB GLN 55 -0.673 9.931 -8.517 440 2HB GLN 55 1HB GLN 55 -1.763 11.291 -8.738 441 1HG GLN 55 2HG GLN 55 -3.450 9.737 -9.714 442 2HG GLN 55 1HG GLN 55 -2.364 8.390 -9.362 443 1HE2 GLN 55 1HE2 GLN 55 -1.777 10.578 -6.928 444 2HE2 GLN 55 2HE2 GLN 55 -2.878 9.981 -5.773 445 H ALA 56 H ALA 56 1.280 10.505 -9.565 446 HA ALA 56 HA ALA 56 2.845 12.140 -9.028 447 1HB ALA 56 1HB ALA 56 3.192 11.710 -11.498 448 2HB ALA 56 2HB ALA 56 3.728 13.298 -10.949 449 3HB ALA 56 3HB ALA 56 2.202 13.133 -11.819 450 HA PRO 57 HA PRO 57 -0.657 15.215 -8.402 451 1HB PRO 57 2HB PRO 57 -0.649 14.701 -5.558 452 2HB PRO 57 1HB PRO 57 -1.939 14.427 -6.738 453 1HG PRO 57 2HG PRO 57 -0.539 12.451 -5.463 454 2HG PRO 57 1HG PRO 57 -1.407 12.266 -6.988 455 1HD PRO 57 2HD PRO 57 1.522 12.628 -6.535 456 2HD PRO 57 1HD PRO 57 0.693 11.636 -7.749 457 H LYS 58 H LYS 58 0.887 16.818 -8.923 458 HA LYS 58 HA LYS 58 3.036 17.642 -7.303 459 1HB LYS 58 2HB LYS 58 1.409 19.168 -9.354 460 2HB LYS 58 1HB LYS 58 2.936 19.724 -8.669 461 1HG LYS 58 2HG LYS 58 4.127 17.831 -9.595 462 2HG LYS 58 1HG LYS 58 2.622 17.069 -10.105 463 1HD LYS 58 2HD LYS 58 3.716 18.144 -12.023 464 2HD LYS 58 1HD LYS 58 2.197 18.959 -11.654 465 1HE LYS 58 2HE LYS 58 3.308 20.790 -10.618 466 2HE LYS 58 1HE LYS 58 4.838 19.915 -10.535 467 1HZ LYS 58 1HZ LYS 58 5.036 19.998 -12.898 468 2HZ LYS 58 2HZ LYS 58 4.727 21.575 -12.349 469 3HZ LYS 58 3HZ LYS 58 3.486 20.665 -13.069 Start of MODEL 37 1 1H VAL 1 1HT VAL 1 -0.690 -8.895 16.401 2 2H VAL 1 2HT VAL 1 0.190 -10.263 16.892 3 3H VAL 1 3HT VAL 1 -1.490 -10.368 16.665 4 HA VAL 1 HA VAL 1 -1.059 -9.716 14.272 5 HB VAL 1 HB VAL 1 1.727 -10.650 15.070 6 1HG1 VAL 1 1HG1 VAL 1 0.387 -9.989 12.458 7 2HG1 VAL 1 2HG1 VAL 1 1.507 -11.296 12.836 8 3HG1 VAL 1 3HG1 VAL 1 2.107 -9.652 12.649 9 1HG2 VAL 1 1HG2 VAL 1 1.441 -8.402 15.895 10 2HG2 VAL 1 2HG2 VAL 1 0.635 -7.895 14.411 11 3HG2 VAL 1 3HG2 VAL 1 2.356 -8.281 14.392 12 H ASP 2 H ASP 2 -2.608 -11.457 15.323 13 HA ASP 2 HA ASP 2 -1.826 -14.159 15.516 14 1HB ASP 2 2HB ASP 2 -4.513 -13.013 14.701 15 2HB ASP 2 1HB ASP 2 -4.220 -14.657 15.266 16 H ASN 3 H ASN 3 -2.903 -12.190 12.803 17 HA ASN 3 HA ASN 3 -2.554 -14.435 10.933 18 1HB ASN 3 2HB ASN 3 -3.598 -12.891 9.280 19 2HB ASN 3 1HB ASN 3 -4.632 -13.236 10.660 20 1HD2 ASN 3 1HD2 ASN 3 -2.146 -11.090 11.635 21 2HD2 ASN 3 2HD2 ASN 3 -3.017 -9.645 11.471 22 H LYS 4 H LYS 4 -1.543 -13.776 8.776 23 HA LYS 4 HA LYS 4 1.054 -12.607 9.340 24 1HB LYS 4 2HB LYS 4 0.064 -13.792 6.748 25 2HB LYS 4 1HB LYS 4 1.736 -13.464 7.183 26 1HG LYS 4 2HG LYS 4 -0.069 -15.430 8.637 27 2HG LYS 4 1HG LYS 4 1.140 -15.874 7.435 28 1HD LYS 4 2HD LYS 4 2.890 -14.778 8.877 29 2HD LYS 4 1HD LYS 4 1.654 -14.538 10.112 30 1HE LYS 4 2HE LYS 4 2.729 -16.565 10.724 31 2HE LYS 4 1HE LYS 4 1.229 -17.070 9.948 32 1HZ LYS 4 1HZ LYS 4 3.153 -18.320 9.145 33 2HZ LYS 4 2HZ LYS 4 3.873 -16.880 8.603 34 3HZ LYS 4 3HZ LYS 4 2.427 -17.427 7.898 35 H PHE 5 H PHE 5 -1.763 -11.279 8.699 36 HA PHE 5 HA PHE 5 -1.540 -9.660 6.450 37 1HB PHE 5 2HB PHE 5 -2.871 -9.327 9.117 38 2HB PHE 5 1HB PHE 5 -2.857 -8.011 7.957 39 HD1 PHE 5 1HD PHE 5 -3.126 -11.711 7.353 40 HD2 PHE 5 2HD PHE 5 -5.041 -7.854 7.194 41 HE1 PHE 5 1HE PHE 5 -5.080 -12.702 6.161 42 HE2 PHE 5 2HE PHE 5 -6.968 -8.847 6.011 43 HZ PHE 5 HZ PHE 5 -6.987 -11.252 5.489 44 H ASN 6 H ASN 6 -0.812 -8.742 9.817 45 HA ASN 6 HA ASN 6 0.097 -6.189 9.310 46 1HB ASN 6 2HB ASN 6 1.117 -8.067 11.429 47 2HB ASN 6 1HB ASN 6 1.244 -6.313 11.444 48 1HD2 ASN 6 1HD2 ASN 6 -1.118 -5.250 11.009 49 2HD2 ASN 6 2HD2 ASN 6 -2.356 -5.913 11.961 50 H LYS 7 H LYS 7 2.047 -9.168 9.471 51 HA LYS 7 HA LYS 7 4.552 -8.001 9.060 52 1HB LYS 7 2HB LYS 7 4.084 -10.314 9.784 53 2HB LYS 7 1HB LYS 7 3.586 -10.703 8.145 54 1HG LYS 7 2HG LYS 7 6.294 -9.474 8.639 55 2HG LYS 7 1HG LYS 7 6.061 -11.196 8.920 56 1HD LYS 7 2HD LYS 7 5.505 -9.739 6.326 57 2HD LYS 7 1HD LYS 7 6.884 -10.777 6.636 58 1HE LYS 7 2HE LYS 7 5.640 -12.501 5.872 59 2HE LYS 7 1HE LYS 7 4.648 -12.340 7.321 60 1HZ LYS 7 1HZ LYS 7 3.413 -12.215 5.173 61 2HZ LYS 7 2HZ LYS 7 4.207 -10.748 4.856 62 3HZ LYS 7 3HZ LYS 7 3.175 -10.885 6.198 63 H GLU 8 H GLU 8 2.143 -9.164 6.723 64 HA GLU 8 HA GLU 8 3.754 -8.547 4.418 65 1HB GLU 8 2HB GLU 8 1.858 -10.230 4.548 66 2HB GLU 8 1HB GLU 8 0.742 -8.871 4.608 67 1HG GLU 8 2HG GLU 8 0.929 -9.644 2.317 68 2HG GLU 8 1HG GLU 8 1.656 -8.050 2.455 69 H ARG 9 H ARG 9 1.272 -6.944 6.274 70 HA ARG 9 HA ARG 9 0.909 -4.726 4.585 71 1HB ARG 9 2HB ARG 9 0.145 -5.277 7.443 72 2HB ARG 9 1HB ARG 9 -0.241 -3.761 6.632 73 1HG ARG 9 2HG ARG 9 -1.439 -4.969 4.883 74 2HG ARG 9 1HG ARG 9 -1.020 -6.507 5.590 75 1HD ARG 9 2HD ARG 9 -3.139 -6.234 6.455 76 2HD ARG 9 1HD ARG 9 -2.201 -5.460 7.730 77 HE ARG 9 HE ARG 9 -4.038 -4.172 5.920 78 1HH1 ARG 9 1HH1 ARG 9 -3.305 -3.390 8.810 79 2HH1 ARG 9 2HH1 ARG 9 -2.556 -1.852 8.549 80 1HH2 ARG 9 1HH2 ARG 9 -2.148 -2.336 5.147 81 2HH2 ARG 9 2HH2 ARG 9 -1.896 -1.259 6.476 82 H VAL 10 H VAL 10 3.119 -5.379 7.248 83 HA VAL 10 HA VAL 10 3.895 -2.723 7.815 84 HB VAL 10 HB VAL 10 5.768 -5.106 7.887 85 1HG1 VAL 10 1HG1 VAL 10 6.593 -2.650 8.106 86 2HG1 VAL 10 2HG1 VAL 10 7.111 -3.809 9.335 87 3HG1 VAL 10 3HG1 VAL 10 5.805 -2.680 9.687 88 1HG2 VAL 10 1HG2 VAL 10 4.959 -4.661 10.502 89 2HG2 VAL 10 2HG2 VAL 10 4.447 -5.996 9.469 90 3HG2 VAL 10 3HG2 VAL 10 3.456 -4.533 9.590 91 H ILE 11 H ILE 11 5.146 -5.215 5.777 92 HA ILE 11 HA ILE 11 7.278 -3.857 4.613 93 HB ILE 11 HB ILE 11 5.517 -6.080 3.556 94 1HG1 ILE 11 2HG1 ILE 11 8.191 -6.314 4.964 95 2HG1 ILE 11 1HG1 ILE 11 6.654 -6.413 5.830 96 1HG2 ILE 11 1HG2 ILE 11 7.350 -6.656 2.103 97 2HG2 ILE 11 2HG2 ILE 11 8.357 -5.374 2.785 98 3HG2 ILE 11 3HG2 ILE 11 6.933 -4.959 1.826 99 1HD1 ILE 11 1HD1 ILE 11 7.266 -8.147 3.420 100 2HD1 ILE 11 2HD1 ILE 11 5.988 -8.364 4.621 101 3HD1 ILE 11 3HD1 ILE 11 7.674 -8.643 5.065 102 H ALA 12 H ALA 12 3.985 -4.431 3.557 103 HA ALA 12 HA ALA 12 4.113 -2.977 1.143 104 1HB ALA 12 1HB ALA 12 1.560 -3.135 1.484 105 2HB ALA 12 2HB ALA 12 2.001 -4.151 2.873 106 3HB ALA 12 3HB ALA 12 2.517 -4.597 1.236 107 H ILE 13 H ILE 13 2.688 -2.104 4.322 108 HA ILE 13 HA ILE 13 1.725 0.411 3.497 109 HB ILE 13 HB ILE 13 1.111 -0.792 5.648 110 1HG1 ILE 13 2HG1 ILE 13 1.745 2.064 5.289 111 2HG1 ILE 13 1HG1 ILE 13 0.257 1.304 5.827 112 1HG2 ILE 13 1HG2 ILE 13 3.604 -1.233 6.177 113 2HG2 ILE 13 2HG2 ILE 13 2.567 -0.790 7.518 114 3HG2 ILE 13 3HG2 ILE 13 3.643 0.406 6.796 115 1HD1 ILE 13 1HD1 ILE 13 2.715 1.915 7.471 116 2HD1 ILE 13 2HD1 ILE 13 1.393 0.895 8.047 117 3HD1 ILE 13 3HD1 ILE 13 1.097 2.594 7.668 118 H GLY 14 H GLY 14 4.756 -0.774 4.734 119 1HA GLY 14 2HA GLY 14 6.063 1.684 5.083 120 2HA GLY 14 1HA GLY 14 6.843 0.104 4.905 121 H GLU 15 H GLU 15 5.625 -0.556 2.355 122 HA GLU 15 HA GLU 15 7.465 0.756 0.609 123 1HB GLU 15 2HB GLU 15 5.115 -1.082 0.090 124 2HB GLU 15 1HB GLU 15 6.222 -0.523 -1.160 125 1HG GLU 15 2HG GLU 15 7.648 -1.635 1.133 126 2HG GLU 15 1HG GLU 15 6.535 -2.803 0.410 127 H ILE 16 H ILE 16 3.969 0.750 0.979 128 HA ILE 16 HA ILE 16 3.453 2.613 -1.062 129 HB ILE 16 HB ILE 16 1.811 1.360 1.106 130 1HG1 ILE 16 2HG1 ILE 16 1.878 1.094 -1.914 131 2HG1 ILE 16 1HG1 ILE 16 2.729 0.037 -0.799 132 1HG2 ILE 16 1HG2 ILE 16 0.016 2.642 0.695 133 2HG2 ILE 16 2HG2 ILE 16 0.262 2.558 -1.060 134 3HG2 ILE 16 3HG2 ILE 16 1.093 3.784 -0.110 135 1HD1 ILE 16 1HD1 ILE 16 -0.103 0.083 -1.555 136 2HD1 ILE 16 2HD1 ILE 16 0.167 -0.019 0.195 137 3HD1 ILE 16 3HD1 ILE 16 0.883 -1.229 -0.884 138 H MET 17 H MET 17 3.953 2.973 2.379 139 HA MET 17 HA MET 17 3.019 5.657 2.553 140 1HB MET 17 2HB MET 17 4.830 3.964 4.283 141 2HB MET 17 1HB MET 17 4.504 5.663 4.661 142 1HG MET 17 2HG MET 17 2.342 3.584 4.220 143 2HG MET 17 1HG MET 17 2.942 4.041 5.810 144 1HE MET 17 1HE MET 17 0.070 4.289 3.714 145 2HE MET 17 2HE MET 17 -0.760 5.434 4.769 146 3HE MET 17 3HE MET 17 0.084 4.053 5.464 147 H ARG 18 H ARG 18 5.863 4.228 1.243 148 HA ARG 18 HA ARG 18 7.687 6.405 1.482 149 1HB ARG 18 2HB ARG 18 8.373 4.080 1.047 150 2HB ARG 18 1HB ARG 18 7.524 4.118 -0.491 151 1HG ARG 18 2HG ARG 18 9.008 6.036 -1.181 152 2HG ARG 18 1HG ARG 18 9.956 5.740 0.282 153 1HD ARG 18 2HD ARG 18 9.412 3.763 -1.944 154 2HD ARG 18 1HD ARG 18 10.950 4.560 -1.625 155 HE ARG 18 HE ARG 18 10.859 3.326 0.603 156 1HH1 ARG 18 1HH1 ARG 18 8.293 2.211 -1.214 157 2HH1 ARG 18 2HH1 ARG 18 8.753 0.541 -1.199 158 1HH2 ARG 18 1HH2 ARG 18 11.874 1.135 0.172 159 2HH2 ARG 18 2HH2 ARG 18 10.773 -0.065 -0.418 160 H LEU 19 H LEU 19 5.249 5.423 -0.832 161 HA LEU 19 HA LEU 19 5.788 6.771 -3.099 162 1HB LEU 19 2HB LEU 19 3.065 6.552 -1.817 163 2HB LEU 19 1HB LEU 19 3.418 6.726 -3.538 164 HG LEU 19 HG LEU 19 4.352 4.420 -1.797 165 1HD1 LEU 19 1HD1 LEU 19 2.389 4.197 -4.065 166 2HD1 LEU 19 2HD1 LEU 19 1.859 4.507 -2.410 167 3HD1 LEU 19 3HD1 LEU 19 2.748 3.038 -2.785 168 1HD2 LEU 19 1HD2 LEU 19 5.979 4.450 -3.374 169 2HD2 LEU 19 2HD2 LEU 19 4.981 5.314 -4.556 170 3HD2 LEU 19 3HD2 LEU 19 4.760 3.575 -4.309 171 HA PRO 20 HA PRO 20 5.950 11.002 -1.493 172 1HB PRO 20 2HB PRO 20 7.222 11.814 -3.931 173 2HB PRO 20 1HB PRO 20 7.966 11.560 -2.348 174 1HG PRO 20 2HG PRO 20 8.312 10.015 -4.658 175 2HG PRO 20 1HG PRO 20 8.877 9.634 -3.019 176 1HD PRO 20 2HD PRO 20 6.617 8.506 -4.529 177 2HD PRO 20 1HD PRO 20 7.467 7.856 -3.115 178 H ASN 21 H ASN 21 4.639 9.861 -4.548 179 HA ASN 21 HA ASN 21 3.634 12.501 -5.285 180 1HB ASN 21 2HB ASN 21 3.141 9.804 -6.563 181 2HB ASN 21 1HB ASN 21 2.763 11.360 -7.267 182 1HD2 ASN 21 1HD2 ASN 21 4.593 9.586 -8.544 183 2HD2 ASN 21 2HD2 ASN 21 6.151 10.257 -8.467 184 H LEU 22 H LEU 22 2.235 9.418 -4.299 185 HA LEU 22 HA LEU 22 -0.454 10.085 -4.444 186 1HB LEU 22 2HB LEU 22 1.006 8.282 -2.521 187 2HB LEU 22 1HB LEU 22 -0.751 8.306 -2.727 188 HG LEU 22 HG LEU 22 0.994 8.027 -5.146 189 1HD1 LEU 22 1HD1 LEU 22 1.845 6.094 -4.469 190 2HD1 LEU 22 2HD1 LEU 22 0.217 5.442 -4.295 191 3HD1 LEU 22 3HD1 LEU 22 1.010 6.219 -2.923 192 1HD2 LEU 22 1HD2 LEU 22 -0.986 7.627 -6.111 193 2HD2 LEU 22 2HD2 LEU 22 -1.758 8.070 -4.586 194 3HD2 LEU 22 3HD2 LEU 22 -1.370 6.377 -4.918 195 H ASN 23 H ASN 23 -1.971 10.688 -2.959 196 HA ASN 23 HA ASN 23 -1.036 12.564 -0.902 197 1HB ASN 23 2HB ASN 23 -3.614 12.863 -0.668 198 2HB ASN 23 1HB ASN 23 -2.831 13.511 -2.105 199 1HD2 ASN 23 1HD2 ASN 23 -3.441 12.640 -4.141 200 2HD2 ASN 23 2HD2 ASN 23 -4.565 11.379 -4.316 201 H SER 24 H SER 24 -1.960 12.310 1.291 202 HA SER 24 HA SER 24 -1.369 9.850 2.361 203 1HB SER 24 2HB SER 24 -2.651 10.516 4.343 204 2HB SER 24 1HB SER 24 -1.568 11.783 3.762 205 HG SER 24 HG SER 24 -3.486 12.572 2.591 206 H LEU 25 H LEU 25 -4.480 10.939 1.097 207 HA LEU 25 HA LEU 25 -6.053 8.827 2.110 208 1HB LEU 25 2HB LEU 25 -6.415 10.262 -0.516 209 2HB LEU 25 1HB LEU 25 -7.641 9.419 0.414 210 HG LEU 25 HG LEU 25 -7.012 11.102 2.316 211 1HD1 LEU 25 1HD1 LEU 25 -6.575 13.351 0.814 212 2HD1 LEU 25 2HD1 LEU 25 -5.569 12.182 -0.037 213 3HD1 LEU 25 3HD1 LEU 25 -5.306 12.488 1.678 214 1HD2 LEU 25 1HD2 LEU 25 -8.594 11.542 -0.189 215 2HD2 LEU 25 2HD2 LEU 25 -8.532 12.821 1.027 216 3HD2 LEU 25 3HD2 LEU 25 -9.177 11.232 1.448 217 H GLN 26 H GLN 26 -4.391 9.193 -1.018 218 HA GLN 26 HA GLN 26 -5.136 6.654 -1.975 219 1HB GLN 26 2HB GLN 26 -2.910 8.502 -2.646 220 2HB GLN 26 1HB GLN 26 -3.090 6.950 -3.431 221 1HG GLN 26 2HG GLN 26 -5.333 8.963 -3.256 222 2HG GLN 26 1HG GLN 26 -4.198 8.934 -4.613 223 1HE2 GLN 26 1HE2 GLN 26 -3.947 6.521 -5.547 224 2HE2 GLN 26 2HE2 GLN 26 -5.414 5.696 -5.770 225 H VAL 27 H VAL 27 -2.344 7.909 -0.323 226 HA VAL 27 HA VAL 27 -0.743 5.639 -0.204 227 HB VAL 27 HB VAL 27 -1.158 8.064 1.543 228 1HG1 VAL 27 1HG1 VAL 27 0.413 5.661 2.191 229 2HG1 VAL 27 2HG1 VAL 27 -0.241 6.930 3.242 230 3HG1 VAL 27 3HG1 VAL 27 1.263 7.200 2.359 231 1HG2 VAL 27 1HG2 VAL 27 0.881 7.167 -0.485 232 2HG2 VAL 27 2HG2 VAL 27 1.281 8.408 0.701 233 3HG2 VAL 27 3HG2 VAL 27 -0.040 8.669 -0.436 234 H VAL 28 H VAL 28 -3.317 6.862 1.812 235 HA VAL 28 HA VAL 28 -3.274 4.697 3.676 236 HB VAL 28 HB VAL 28 -5.316 6.855 3.280 237 1HG1 VAL 28 1HG1 VAL 28 -6.050 6.128 5.557 238 2HG1 VAL 28 2HG1 VAL 28 -4.878 4.806 5.491 239 3HG1 VAL 28 3HG1 VAL 28 -6.257 4.823 4.382 240 1HG2 VAL 28 1HG2 VAL 28 -3.522 6.663 5.637 241 2HG2 VAL 28 2HG2 VAL 28 -3.989 8.086 4.697 242 3HG2 VAL 28 3HG2 VAL 28 -2.709 7.012 4.107 243 H ALA 29 H ALA 29 -4.981 5.460 0.808 244 HA ALA 29 HA ALA 29 -7.118 3.698 0.838 245 1HB ALA 29 1HB ALA 29 -6.384 5.476 -0.902 246 2HB ALA 29 2HB ALA 29 -7.142 3.993 -1.490 247 3HB ALA 29 3HB ALA 29 -5.386 4.182 -1.579 248 H PHE 30 H PHE 30 -3.733 3.321 0.068 249 HA PHE 30 HA PHE 30 -3.933 0.653 -0.782 250 1HB PHE 30 2HB PHE 30 -1.743 2.513 -0.005 251 2HB PHE 30 1HB PHE 30 -1.430 0.807 -0.289 252 HD1 PHE 30 1HD PHE 30 -2.468 -0.231 -2.413 253 HD2 PHE 30 2HD PHE 30 -1.825 3.953 -1.825 254 HE1 PHE 30 1HE PHE 30 -2.598 0.134 -4.829 255 HE2 PHE 30 2HE PHE 30 -2.041 4.344 -4.217 256 HZ PHE 30 HZ PHE 30 -2.422 2.423 -5.771 257 H ILE 31 H ILE 31 -3.204 2.337 2.285 258 HA ILE 31 HA ILE 31 -2.351 0.072 3.729 259 HB ILE 31 HB ILE 31 -4.228 2.206 4.813 260 1HG1 ILE 31 2HG1 ILE 31 -1.208 2.169 4.919 261 2HG1 ILE 31 1HG1 ILE 31 -2.141 3.178 3.828 262 1HG2 ILE 31 1HG2 ILE 31 -2.179 0.529 6.284 263 2HG2 ILE 31 2HG2 ILE 31 -3.886 0.096 6.183 264 3HG2 ILE 31 3HG2 ILE 31 -3.401 1.587 6.984 265 1HD1 ILE 31 1HD1 ILE 31 -1.532 3.653 6.599 266 2HD1 ILE 31 2HD1 ILE 31 -3.278 3.483 6.425 267 3HD1 ILE 31 3HD1 ILE 31 -2.416 4.694 5.488 268 H ASN 32 H ASN 32 -5.476 1.363 2.850 269 HA ASN 32 HA ASN 32 -7.101 -0.496 4.260 270 1HB ASN 32 2HB ASN 32 -7.459 1.566 2.135 271 2HB ASN 32 1HB ASN 32 -8.763 0.407 2.391 272 1HD2 ASN 32 1HD2 ASN 32 -7.333 3.306 3.565 273 2HD2 ASN 32 2HD2 ASN 32 -8.227 3.432 5.002 274 H SER 33 H SER 33 -5.798 -0.497 0.954 275 HA SER 33 HA SER 33 -7.361 -2.706 0.111 276 1HB SER 33 2HB SER 33 -4.692 -1.861 -0.992 277 2HB SER 33 1HB SER 33 -5.994 -2.720 -1.810 278 HG SER 33 HG SER 33 -6.148 -0.088 -0.757 279 H LEU 34 H LEU 34 -4.217 -2.364 1.657 280 HA LEU 34 HA LEU 34 -3.217 -4.979 1.296 281 1HB LEU 34 2HB LEU 34 -2.795 -3.700 3.974 282 2HB LEU 34 1HB LEU 34 -1.679 -4.637 2.992 283 HG LEU 34 HG LEU 34 -2.515 -1.781 2.621 284 1HD1 LEU 34 1HD1 LEU 34 0.130 -1.709 2.535 285 2HD1 LEU 34 2HD1 LEU 34 -0.043 -3.193 3.472 286 3HD1 LEU 34 3HD1 LEU 34 -0.739 -1.687 4.068 287 1HD2 LEU 34 1HD2 LEU 34 -1.111 -3.659 0.740 288 2HD2 LEU 34 2HD2 LEU 34 -0.806 -1.927 0.682 289 3HD2 LEU 34 3HD2 LEU 34 -2.431 -2.546 0.384 290 H ARG 35 H ARG 35 -5.300 -3.723 3.902 291 HA ARG 35 HA ARG 35 -5.504 -6.268 5.213 292 1HB ARG 35 2HB ARG 35 -7.293 -5.211 6.544 293 2HB ARG 35 1HB ARG 35 -5.838 -4.231 6.466 294 1HG ARG 35 2HG ARG 35 -6.837 -2.865 4.680 295 2HG ARG 35 1HG ARG 35 -8.313 -3.825 4.772 296 1HD ARG 35 2HD ARG 35 -8.498 -3.153 7.194 297 2HD ARG 35 1HD ARG 35 -7.131 -2.070 6.943 298 HE ARG 35 HE ARG 35 -8.703 -0.584 6.136 299 1HH1 ARG 35 1HH2 ARG 35 -10.746 -3.034 6.616 300 2HH1 ARG 35 2HH2 ARG 35 -11.648 -2.902 5.144 301 1HH2 ARG 35 1HH1 ARG 35 -9.391 -0.752 3.647 302 2HH2 ARG 35 2HH1 ARG 35 -10.880 -1.614 3.464 303 H ASP 36 H ASP 36 -7.311 -4.568 2.770 304 HA ASP 36 HA ASP 36 -9.570 -6.298 2.701 305 1HB ASP 36 2HB ASP 36 -8.339 -4.440 0.638 306 2HB ASP 36 1HB ASP 36 -9.851 -5.309 0.384 307 H ASP 37 H ASP 37 -6.299 -6.485 1.726 308 HA ASP 37 HA ASP 37 -6.474 -9.223 0.959 309 1HB ASP 37 2HB ASP 37 -7.458 -7.958 -1.058 310 2HB ASP 37 1HB ASP 37 -5.816 -7.412 -1.357 311 HA PRO 38 HA PRO 38 -2.261 -7.885 2.201 312 1HB PRO 38 2HB PRO 38 -1.842 -10.520 3.294 313 2HB PRO 38 1HB PRO 38 -2.033 -8.987 4.157 314 1HG PRO 38 2HG PRO 38 -3.842 -11.087 4.129 315 2HG PRO 38 1HG PRO 38 -4.157 -9.433 4.661 316 1HD PRO 38 2HD PRO 38 -4.979 -10.776 2.154 317 2HD PRO 38 1HD PRO 38 -5.711 -9.388 2.990 318 H SER 39 H SER 39 -3.285 -10.886 0.656 319 HA SER 39 HA SER 39 -0.774 -11.736 -0.330 320 1HB SER 39 2HB SER 39 -2.848 -13.149 -0.285 321 2HB SER 39 1HB SER 39 -3.502 -12.165 -1.590 322 HG SER 39 HG SER 39 -1.575 -12.749 -2.783 323 H GLN 40 H GLN 40 -3.096 -9.358 -1.295 324 HA GLN 40 HA GLN 40 -1.656 -8.817 -3.784 325 1HB GLN 40 2HB GLN 40 -4.325 -7.831 -2.771 326 2HB GLN 40 1HB GLN 40 -3.601 -7.340 -4.297 327 1HG GLN 40 2HG GLN 40 -4.156 -10.225 -3.560 328 2HG GLN 40 1HG GLN 40 -5.262 -9.231 -4.503 329 1HE2 GLN 40 1HE2 GLN 40 -2.549 -11.309 -4.723 330 2HE2 GLN 40 2HE2 GLN 40 -2.126 -10.961 -6.330 331 H SER 41 H SER 41 -1.049 -8.044 -0.769 332 HA SER 41 HA SER 41 -1.145 -5.258 -0.511 333 1HB SER 41 2HB SER 41 0.615 -5.483 1.141 334 2HB SER 41 1HB SER 41 -0.386 -6.915 1.289 335 HG SER 41 HG SER 41 1.181 -8.107 0.476 336 H ALA 42 H ALA 42 1.053 -7.407 -2.114 337 HA ALA 42 HA ALA 42 2.967 -5.574 -3.028 338 1HB ALA 42 1HB ALA 42 2.232 -8.262 -4.154 339 2HB ALA 42 2HB ALA 42 3.319 -8.019 -2.785 340 3HB ALA 42 3HB ALA 42 3.759 -7.409 -4.381 341 H ASN 43 H ASN 43 -0.031 -6.873 -4.405 342 HA ASN 43 HA ASN 43 0.318 -5.885 -7.067 343 1HB ASN 43 2HB ASN 43 -1.256 -7.715 -6.220 344 2HB ASN 43 1HB ASN 43 -2.281 -6.401 -5.634 345 1HD2 ASN 43 1HD2 ASN 43 -3.843 -5.818 -7.085 346 2HD2 ASN 43 2HD2 ASN 43 -3.731 -5.945 -8.774 347 H LEU 44 H LEU 44 -1.080 -4.873 -4.123 348 HA LEU 44 HA LEU 44 -2.339 -2.471 -4.998 349 1HB LEU 44 2HB LEU 44 -1.444 -3.532 -2.328 350 2HB LEU 44 1HB LEU 44 -2.395 -2.070 -2.515 351 HG LEU 44 HG LEU 44 -3.228 -4.639 -3.789 352 1HD1 LEU 44 1HD1 LEU 44 -3.582 -3.789 -0.958 353 2HD1 LEU 44 2HD1 LEU 44 -3.377 -5.404 -1.631 354 3HD1 LEU 44 3HD1 LEU 44 -4.928 -4.588 -1.769 355 1HD2 LEU 44 1HD2 LEU 44 -5.428 -3.433 -3.645 356 2HD2 LEU 44 2HD2 LEU 44 -4.207 -2.724 -4.710 357 3HD2 LEU 44 3HD2 LEU 44 -4.502 -2.023 -3.108 358 H LEU 45 H LEU 45 0.659 -3.469 -3.706 359 HA LEU 45 HA LEU 45 1.900 -0.965 -3.348 360 1HB LEU 45 2HB LEU 45 2.474 -3.696 -3.083 361 2HB LEU 45 1HB LEU 45 3.593 -3.160 -4.314 362 HG LEU 45 HG LEU 45 3.255 -1.654 -1.754 363 1HD1 LEU 45 1HD1 LEU 45 5.297 -3.829 -2.218 364 2HD1 LEU 45 2HD1 LEU 45 3.724 -4.191 -1.484 365 3HD1 LEU 45 3HD1 LEU 45 4.837 -3.062 -0.702 366 1HD2 LEU 45 1HD2 LEU 45 4.839 -0.370 -2.709 367 2HD2 LEU 45 2HD2 LEU 45 4.699 -1.337 -4.180 368 3HD2 LEU 45 3HD2 LEU 45 5.885 -1.773 -2.941 369 H ALA 46 H ALA 46 1.535 -3.278 -5.916 370 HA ALA 46 HA ALA 46 3.169 -2.123 -7.895 371 1HB ALA 46 1HB ALA 46 0.661 -3.514 -8.700 372 2HB ALA 46 2HB ALA 46 1.764 -4.442 -7.686 373 3HB ALA 46 3HB ALA 46 2.319 -3.804 -9.236 374 H GLU 47 H GLU 47 -0.235 -1.908 -7.049 375 HA GLU 47 HA GLU 47 -1.096 -0.161 -9.094 376 1HB GLU 47 2HB GLU 47 -1.980 -1.073 -6.398 377 2HB GLU 47 1HB GLU 47 -2.801 0.313 -7.116 378 1HG GLU 47 2HG GLU 47 -3.588 -0.959 -8.936 379 2HG GLU 47 1HG GLU 47 -2.401 -2.235 -8.672 380 H ALA 48 H ALA 48 0.125 0.234 -5.846 381 HA ALA 48 HA ALA 48 -0.157 2.978 -5.503 382 1HB ALA 48 1HB ALA 48 2.257 1.916 -4.322 383 2HB ALA 48 2HB ALA 48 0.887 0.844 -4.072 384 3HB ALA 48 3HB ALA 48 0.800 2.520 -3.537 385 H LYS 49 H LYS 49 2.520 1.070 -6.731 386 HA LYS 49 HA LYS 49 4.250 3.264 -7.268 387 1HB LYS 49 2HB LYS 49 4.138 0.438 -8.364 388 2HB LYS 49 1HB LYS 49 5.412 1.589 -8.776 389 1HG LYS 49 2HG LYS 49 5.999 1.824 -6.399 390 2HG LYS 49 1HG LYS 49 4.707 0.715 -5.954 391 1HD LYS 49 2HD LYS 49 5.817 -1.056 -7.341 392 2HD LYS 49 1HD LYS 49 7.153 0.060 -7.624 393 1HE LYS 49 2HE LYS 49 8.032 -0.305 -5.563 394 2HE LYS 49 1HE LYS 49 6.458 -0.181 -4.777 395 1HZ LYS 49 1HZ LYS 49 5.969 -2.439 -5.488 396 2HZ LYS 49 2HZ LYS 49 7.379 -2.395 -4.542 397 3HZ LYS 49 3HZ LYS 49 7.490 -2.558 -6.229 398 H LYS 50 H LYS 50 1.691 1.603 -9.006 399 HA LYS 50 HA LYS 50 2.105 2.908 -11.529 400 1HB LYS 50 2HB LYS 50 0.753 0.725 -10.918 401 2HB LYS 50 1HB LYS 50 -0.560 1.854 -10.610 402 1HG LYS 50 2HG LYS 50 -0.933 1.463 -12.855 403 2HG LYS 50 1HG LYS 50 0.186 2.817 -12.989 404 1HD LYS 50 2HD LYS 50 1.021 1.155 -14.486 405 2HD LYS 50 1HD LYS 50 2.068 1.076 -13.071 406 1HE LYS 50 2HE LYS 50 1.026 -0.912 -12.274 407 2HE LYS 50 1HE LYS 50 -0.367 -0.705 -13.339 408 1HZ LYS 50 1HZ LYS 50 1.192 -2.396 -14.141 409 2HZ LYS 50 2HZ LYS 50 2.412 -1.218 -14.254 410 3HZ LYS 50 3HZ LYS 50 1.030 -1.112 -15.237 411 H LEU 51 H LEU 51 0.229 3.442 -8.633 412 HA LEU 51 HA LEU 51 -1.399 5.600 -9.493 413 1HB LEU 51 2HB LEU 51 -0.691 4.194 -7.015 414 2HB LEU 51 1HB LEU 51 -1.099 5.864 -6.797 415 HG LEU 51 HG LEU 51 -3.052 4.425 -6.534 416 1HD1 LEU 51 1HD1 LEU 51 -4.550 5.734 -7.847 417 2HD1 LEU 51 2HD1 LEU 51 -3.320 6.051 -9.067 418 3HD1 LEU 51 3HD1 LEU 51 -3.179 6.780 -7.459 419 1HD2 LEU 51 1HD2 LEU 51 -2.202 3.503 -9.269 420 2HD2 LEU 51 2HD2 LEU 51 -3.907 3.432 -8.818 421 3HD2 LEU 51 3HD2 LEU 51 -2.702 2.546 -7.873 422 H ASN 52 H ASN 52 1.572 5.348 -7.660 423 HA ASN 52 HA ASN 52 1.953 8.023 -7.031 424 1HB ASN 52 2HB ASN 52 3.123 6.001 -6.093 425 2HB ASN 52 1HB ASN 52 4.062 5.921 -7.577 426 1HD2 ASN 52 1HD2 ASN 52 5.838 7.340 -7.781 427 2HD2 ASN 52 2HD2 ASN 52 6.272 8.479 -6.600 428 H ASP 53 H ASP 53 3.098 6.050 -9.696 429 HA ASP 53 HA ASP 53 4.415 8.128 -11.066 430 1HB ASP 53 2HB ASP 53 4.960 5.710 -11.300 431 2HB ASP 53 1HB ASP 53 3.425 5.489 -12.141 432 H ALA 54 H ALA 54 1.222 6.655 -11.295 433 HA ALA 54 HA ALA 54 0.445 7.898 -13.752 434 1HB ALA 54 1HB ALA 54 -1.131 6.690 -11.503 435 2HB ALA 54 2HB ALA 54 -0.621 5.888 -12.997 436 3HB ALA 54 3HB ALA 54 -1.828 7.173 -13.048 437 H GLN 55 H GLN 55 -0.214 8.719 -10.352 438 HA GLN 55 HA GLN 55 -2.040 10.815 -11.072 439 1HB GLN 55 2HB GLN 55 -0.670 10.086 -8.488 440 2HB GLN 55 1HB GLN 55 -1.795 11.427 -8.649 441 1HG GLN 55 2HG GLN 55 -3.525 9.827 -9.481 442 2HG GLN 55 1HG GLN 55 -2.400 8.506 -9.154 443 1HE2 GLN 55 1HE2 GLN 55 -1.723 10.813 -6.847 444 2HE2 GLN 55 2HE2 GLN 55 -2.724 10.223 -5.601 445 H ALA 56 H ALA 56 1.226 10.639 -9.790 446 HA ALA 56 HA ALA 56 2.756 12.381 -9.355 447 1HB ALA 56 1HB ALA 56 2.155 12.753 -12.304 448 2HB ALA 56 2HB ALA 56 3.240 11.537 -11.630 449 3HB ALA 56 3HB ALA 56 3.630 13.250 -11.471 450 HA PRO 57 HA PRO 57 -1.058 15.258 -8.948 451 1HB PRO 57 2HB PRO 57 0.224 16.134 -6.505 452 2HB PRO 57 1HB PRO 57 -1.300 15.253 -6.714 453 1HG PRO 57 2HG PRO 57 1.384 14.237 -6.114 454 2HG PRO 57 1HG PRO 57 -0.209 13.525 -5.796 455 1HD PRO 57 2HD PRO 57 1.409 12.507 -7.691 456 2HD PRO 57 1HD PRO 57 -0.345 12.554 -7.913 457 H LYS 58 H LYS 58 -0.631 16.719 -10.497 458 HA LYS 58 HA LYS 58 0.000 18.695 -11.463 459 1HB LYS 58 2HB LYS 58 1.359 19.292 -8.815 460 2HB LYS 58 1HB LYS 58 1.036 20.447 -10.102 461 1HG LYS 58 2HG LYS 58 -1.325 20.271 -9.818 462 2HG LYS 58 1HG LYS 58 -1.175 18.837 -8.806 463 1HD LYS 58 2HD LYS 58 0.255 21.268 -7.850 464 2HD LYS 58 1HD LYS 58 -1.506 21.328 -7.790 465 1HE LYS 58 2HE LYS 58 -0.781 20.424 -5.684 466 2HE LYS 58 1HE LYS 58 -1.439 19.075 -6.612 467 1HZ LYS 58 1HZ LYS 58 0.708 18.329 -7.157 468 2HZ LYS 58 2HZ LYS 58 0.762 18.679 -5.495 469 3HZ LYS 58 3HZ LYS 58 1.442 19.759 -6.617 Start of MODEL 38 1 1H VAL 1 1HT VAL 1 -7.327 -14.092 17.840 2 2H VAL 1 2HT VAL 1 -7.135 -13.529 16.248 3 3H VAL 1 3HT VAL 1 -6.956 -12.461 17.557 4 HA VAL 1 HA VAL 1 -4.955 -13.452 18.250 5 HB VAL 1 HB VAL 1 -4.075 -15.475 17.016 6 1HG1 VAL 1 1HG1 VAL 1 -6.748 -15.892 18.396 7 2HG1 VAL 1 2HG1 VAL 1 -5.219 -15.626 19.233 8 3HG1 VAL 1 3HG1 VAL 1 -5.444 -17.071 18.249 9 1HG2 VAL 1 1HG2 VAL 1 -6.928 -15.635 15.970 10 2HG2 VAL 1 2HG2 VAL 1 -5.645 -16.812 15.695 11 3HG2 VAL 1 3HG2 VAL 1 -5.524 -15.201 14.993 12 H ASP 2 H ASP 2 -2.850 -13.392 17.060 13 HA ASP 2 HA ASP 2 -2.833 -11.253 15.178 14 1HB ASP 2 2HB ASP 2 -0.615 -13.153 15.990 15 2HB ASP 2 1HB ASP 2 -0.399 -11.642 15.106 16 H ASN 3 H ASN 3 -2.188 -11.254 13.011 17 HA ASN 3 HA ASN 3 -2.221 -13.855 11.608 18 1HB ASN 3 2HB ASN 3 -3.566 -12.798 9.808 19 2HB ASN 3 1HB ASN 3 -4.436 -12.914 11.335 20 1HD2 ASN 3 1HD2 ASN 3 -5.553 -11.072 9.779 21 2HD2 ASN 3 2HD2 ASN 3 -5.085 -9.490 10.176 22 H LYS 4 H LYS 4 -1.510 -13.548 9.258 23 HA LYS 4 HA LYS 4 1.072 -12.335 9.293 24 1HB LYS 4 2HB LYS 4 -0.338 -13.506 6.907 25 2HB LYS 4 1HB LYS 4 1.398 -13.335 7.147 26 1HG LYS 4 2HG LYS 4 1.027 -14.832 9.255 27 2HG LYS 4 1HG LYS 4 -0.501 -15.257 8.484 28 1HD LYS 4 2HD LYS 4 0.895 -16.901 7.609 29 2HD LYS 4 1HD LYS 4 1.029 -15.658 6.365 30 1HE LYS 4 2HE LYS 4 3.039 -14.767 7.664 31 2HE LYS 4 1HE LYS 4 2.974 -16.258 8.602 32 1HZ LYS 4 1HZ LYS 4 3.345 -16.012 5.666 33 2HZ LYS 4 2HZ LYS 4 3.102 -17.487 6.475 34 3HZ LYS 4 3HZ LYS 4 4.487 -16.555 6.796 35 H PHE 5 H PHE 5 -1.859 -10.982 8.856 36 HA PHE 5 HA PHE 5 -1.680 -9.413 6.548 37 1HB PHE 5 2HB PHE 5 -3.000 -9.038 9.213 38 2HB PHE 5 1HB PHE 5 -3.022 -7.763 8.016 39 HD1 PHE 5 1HD PHE 5 -5.213 -7.672 7.253 40 HD2 PHE 5 2HD PHE 5 -3.225 -11.486 7.545 41 HE1 PHE 5 1HE PHE 5 -7.135 -8.749 6.133 42 HE2 PHE 5 2HE PHE 5 -5.168 -12.558 6.408 43 HZ PHE 5 HZ PHE 5 -7.111 -11.174 5.703 44 H ASN 6 H ASN 6 -0.915 -8.485 9.897 45 HA ASN 6 HA ASN 6 0.036 -5.934 9.379 46 1HB ASN 6 2HB ASN 6 0.920 -7.832 11.545 47 2HB ASN 6 1HB ASN 6 1.148 -6.087 11.545 48 1HD2 ASN 6 1HD2 ASN 6 -0.678 -8.166 13.135 49 2HD2 ASN 6 2HD2 ASN 6 -2.173 -7.362 13.169 50 H LYS 7 H LYS 7 1.903 -8.962 9.622 51 HA LYS 7 HA LYS 7 4.426 -7.832 9.235 52 1HB LYS 7 2HB LYS 7 4.094 -10.107 10.035 53 2HB LYS 7 1HB LYS 7 3.442 -10.581 8.469 54 1HG LYS 7 2HG LYS 7 5.746 -11.273 8.500 55 2HG LYS 7 1HG LYS 7 5.659 -9.869 7.443 56 1HD LYS 7 2HD LYS 7 6.155 -9.238 10.300 57 2HD LYS 7 1HD LYS 7 7.445 -10.141 9.509 58 1HE LYS 7 2HE LYS 7 7.267 -8.401 7.611 59 2HE LYS 7 1HE LYS 7 6.323 -7.440 8.749 60 1HZ LYS 7 1HZ LYS 7 8.497 -6.733 9.066 61 2HZ LYS 7 2HZ LYS 7 9.138 -8.303 8.961 62 3HZ LYS 7 3HZ LYS 7 8.256 -7.833 10.335 63 H GLU 8 H GLU 8 2.018 -9.008 6.914 64 HA GLU 8 HA GLU 8 3.678 -8.536 4.601 65 1HB GLU 8 2HB GLU 8 1.711 -10.148 4.767 66 2HB GLU 8 1HB GLU 8 0.654 -8.738 4.738 67 1HG GLU 8 2HG GLU 8 0.850 -9.551 2.481 68 2HG GLU 8 1HG GLU 8 1.743 -8.040 2.600 69 H ARG 9 H ARG 9 1.281 -6.798 6.426 70 HA ARG 9 HA ARG 9 0.916 -4.609 4.708 71 1HB ARG 9 2HB ARG 9 0.167 -5.301 7.486 72 2HB ARG 9 1HB ARG 9 0.232 -3.586 7.107 73 1HG ARG 9 2HG ARG 9 -1.563 -3.683 5.711 74 2HG ARG 9 1HG ARG 9 -1.107 -5.254 5.064 75 1HD ARG 9 2HD ARG 9 -3.272 -5.032 6.525 76 2HD ARG 9 1HD ARG 9 -2.219 -6.420 6.728 77 HE ARG 9 HE ARG 9 -1.808 -5.690 8.887 78 1HH1 ARG 9 1HH2 ARG 9 -4.352 -3.924 8.399 79 2HH1 ARG 9 2HH2 ARG 9 -3.803 -2.423 9.066 80 1HH2 ARG 9 1HH1 ARG 9 -0.471 -3.367 9.124 81 2HH2 ARG 9 2HH1 ARG 9 -1.606 -2.108 9.477 82 H VAL 10 H VAL 10 3.255 -5.277 7.250 83 HA VAL 10 HA VAL 10 4.164 -2.638 7.658 84 HB VAL 10 HB VAL 10 5.946 -5.082 7.744 85 1HG1 VAL 10 1HG1 VAL 10 6.128 -2.638 9.502 86 2HG1 VAL 10 2HG1 VAL 10 6.814 -2.612 7.873 87 3HG1 VAL 10 3HG1 VAL 10 7.394 -3.784 9.062 88 1HG2 VAL 10 1HG2 VAL 10 5.248 -4.596 10.359 89 2HG2 VAL 10 2HG2 VAL 10 4.574 -5.871 9.347 90 3HG2 VAL 10 3HG2 VAL 10 3.721 -4.332 9.518 91 H ILE 11 H ILE 11 5.185 -5.248 5.645 92 HA ILE 11 HA ILE 11 7.309 -4.032 4.316 93 HB ILE 11 HB ILE 11 5.391 -6.195 3.419 94 1HG1 ILE 11 2HG1 ILE 11 8.104 -6.532 4.735 95 2HG1 ILE 11 1HG1 ILE 11 6.598 -6.520 5.660 96 1HG2 ILE 11 1HG2 ILE 11 6.814 -5.175 1.617 97 2HG2 ILE 11 2HG2 ILE 11 7.110 -6.900 1.902 98 3HG2 ILE 11 3HG2 ILE 11 8.238 -5.693 2.528 99 1HD1 ILE 11 1HD1 ILE 11 6.864 -8.332 3.266 100 2HD1 ILE 11 2HD1 ILE 11 5.836 -8.512 4.694 101 3HD1 ILE 11 3HD1 ILE 11 7.571 -8.811 4.812 102 H ALA 12 H ALA 12 3.934 -4.475 3.484 103 HA ALA 12 HA ALA 12 3.998 -3.100 1.011 104 1HB ALA 12 1HB ALA 12 1.960 -4.221 2.859 105 2HB ALA 12 2HB ALA 12 2.346 -4.641 1.178 106 3HB ALA 12 3HB ALA 12 1.442 -3.168 1.528 107 H ILE 13 H ILE 13 2.739 -2.124 4.227 108 HA ILE 13 HA ILE 13 1.794 0.397 3.416 109 HB ILE 13 HB ILE 13 1.295 -0.764 5.627 110 1HG1 ILE 13 2HG1 ILE 13 1.928 2.072 5.149 111 2HG1 ILE 13 1HG1 ILE 13 0.462 1.347 5.783 112 1HG2 ILE 13 1HG2 ILE 13 2.859 -0.736 7.402 113 2HG2 ILE 13 2HG2 ILE 13 3.884 0.462 6.608 114 3HG2 ILE 13 3HG2 ILE 13 3.834 -1.184 6.014 115 1HD1 ILE 13 1HD1 ILE 13 1.408 2.677 7.543 116 2HD1 ILE 13 2HD1 ILE 13 3.009 1.979 7.277 117 3HD1 ILE 13 3HD1 ILE 13 1.713 0.987 7.953 118 H GLY 14 H GLY 14 4.862 -0.839 4.486 119 1HA GLY 14 2HA GLY 14 6.237 1.592 4.718 120 2HA GLY 14 1HA GLY 14 6.973 -0.009 4.522 121 H GLU 15 H GLU 15 5.629 -0.712 2.055 122 HA GLU 15 HA GLU 15 7.367 0.540 0.167 123 1HB GLU 15 2HB GLU 15 4.935 -1.228 -0.148 124 2HB GLU 15 1HB GLU 15 5.919 -0.694 -1.503 125 1HG GLU 15 2HG GLU 15 7.482 -1.889 0.684 126 2HG GLU 15 1HG GLU 15 6.312 -3.001 -0.039 127 H ILE 16 H ILE 16 3.897 0.662 0.794 128 HA ILE 16 HA ILE 16 3.337 2.509 -1.229 129 HB ILE 16 HB ILE 16 1.782 1.303 1.000 130 1HG1 ILE 16 2HG1 ILE 16 1.416 1.293 -1.994 131 2HG1 ILE 16 1HG1 ILE 16 2.515 0.197 -1.184 132 1HG2 ILE 16 1HG2 ILE 16 1.095 3.849 0.158 133 2HG2 ILE 16 2HG2 ILE 16 -0.038 2.644 0.753 134 3HG2 ILE 16 3HG2 ILE 16 0.211 2.841 -0.992 135 1HD1 ILE 16 1HD1 ILE 16 0.781 -1.169 -0.831 136 2HD1 ILE 16 2HD1 ILE 16 -0.326 0.034 -1.484 137 3HD1 ILE 16 3HD1 ILE 16 0.091 0.054 0.234 138 H MET 17 H MET 17 3.888 2.911 2.219 139 HA MET 17 HA MET 17 3.122 5.644 2.351 140 1HB MET 17 2HB MET 17 4.867 3.905 4.112 141 2HB MET 17 1HB MET 17 4.539 5.604 4.480 142 1HG MET 17 2HG MET 17 2.354 3.567 3.979 143 2HG MET 17 1HG MET 17 2.959 3.945 5.588 144 1HE MET 17 1HE MET 17 0.170 4.049 5.429 145 2HE MET 17 2HE MET 17 0.000 4.315 3.698 146 3HE MET 17 3HE MET 17 -0.704 5.469 4.832 147 H ARG 18 H ARG 18 5.888 4.054 1.076 148 HA ARG 18 HA ARG 18 7.828 6.128 1.325 149 1HB ARG 18 2HB ARG 18 8.427 3.793 0.908 150 2HB ARG 18 1HB ARG 18 7.551 3.822 -0.615 151 1HG ARG 18 2HG ARG 18 9.099 5.643 -1.399 152 2HG ARG 18 1HG ARG 18 10.046 5.394 0.072 153 1HD ARG 18 2HD ARG 18 9.398 3.241 -1.956 154 2HD ARG 18 1HD ARG 18 10.927 4.114 -1.886 155 HE ARG 18 HE ARG 18 11.376 3.036 0.233 156 1HH1 ARG 18 1HH1 ARG 18 10.125 1.024 -1.969 157 2HH1 ARG 18 2HH1 ARG 18 9.342 -0.075 -0.884 158 1HH2 ARG 18 1HH2 ARG 18 9.683 1.991 1.873 159 2HH2 ARG 18 2HH2 ARG 18 9.091 0.473 1.287 160 H LEU 19 H LEU 19 5.319 5.310 -0.960 161 HA LEU 19 HA LEU 19 5.944 6.673 -3.222 162 1HB LEU 19 2HB LEU 19 3.206 6.522 -1.967 163 2HB LEU 19 1HB LEU 19 3.583 6.693 -3.684 164 HG LEU 19 HG LEU 19 4.441 4.340 -1.967 165 1HD1 LEU 19 1HD1 LEU 19 2.377 4.275 -4.159 166 2HD1 LEU 19 2HD1 LEU 19 1.945 4.507 -2.464 167 3HD1 LEU 19 3HD1 LEU 19 2.755 3.027 -2.968 168 1HD2 LEU 19 1HD2 LEU 19 4.699 3.546 -4.540 169 2HD2 LEU 19 2HD2 LEU 19 6.003 4.256 -3.583 170 3HD2 LEU 19 3HD2 LEU 19 5.070 5.271 -4.695 171 HA PRO 20 HA PRO 20 6.186 10.849 -1.502 172 1HB PRO 20 2HB PRO 20 7.398 11.733 -3.952 173 2HB PRO 20 1HB PRO 20 8.174 11.434 -2.391 174 1HG PRO 20 2HG PRO 20 8.493 9.950 -4.728 175 2HG PRO 20 1HG PRO 20 9.022 9.490 -3.100 176 1HD PRO 20 2HD PRO 20 6.714 8.518 -4.669 177 2HD PRO 20 1HD PRO 20 7.580 7.745 -3.326 178 H ASN 21 H ASN 21 4.522 9.816 -4.400 179 HA ASN 21 HA ASN 21 3.609 12.569 -4.942 180 1HB ASN 21 2HB ASN 21 2.899 10.046 -6.469 181 2HB ASN 21 1HB ASN 21 2.638 11.703 -6.970 182 1HD2 ASN 21 1HD2 ASN 21 4.438 9.540 -8.165 183 2HD2 ASN 21 2HD2 ASN 21 5.969 10.267 -8.250 184 H LEU 22 H LEU 22 1.945 9.454 -4.674 185 HA LEU 22 HA LEU 22 -0.633 10.023 -4.485 186 1HB LEU 22 2HB LEU 22 0.903 8.287 -2.562 187 2HB LEU 22 1HB LEU 22 -0.858 8.266 -2.721 188 HG LEU 22 HG LEU 22 0.868 7.956 -5.157 189 1HD1 LEU 22 1HD1 LEU 22 0.016 5.734 -3.291 190 2HD1 LEU 22 2HD1 LEU 22 1.658 6.351 -3.457 191 3HD1 LEU 22 3HD1 LEU 22 0.879 5.553 -4.818 192 1HD2 LEU 22 1HD2 LEU 22 -1.903 7.990 -4.555 193 2HD2 LEU 22 2HD2 LEU 22 -1.485 6.324 -4.963 194 3HD2 LEU 22 3HD2 LEU 22 -1.136 7.630 -6.104 195 H ASN 23 H ASN 23 -2.182 10.684 -3.089 196 HA ASN 23 HA ASN 23 -1.338 12.571 -1.015 197 1HB ASN 23 2HB ASN 23 -3.889 12.830 -0.790 198 2HB ASN 23 1HB ASN 23 -3.174 13.372 -2.305 199 1HD2 ASN 23 1HD2 ASN 23 -3.872 12.346 -4.231 200 2HD2 ASN 23 2HD2 ASN 23 -4.947 11.033 -4.257 201 H SER 24 H SER 24 -2.202 12.314 1.184 202 HA SER 24 HA SER 24 -1.539 9.886 2.287 203 1HB SER 24 2HB SER 24 -2.818 10.553 4.274 204 2HB SER 24 1HB SER 24 -1.757 11.827 3.668 205 HG SER 24 HG SER 24 -4.555 11.551 3.237 206 H LEU 25 H LEU 25 -4.688 10.891 1.053 207 HA LEU 25 HA LEU 25 -6.193 8.758 2.128 208 1HB LEU 25 2HB LEU 25 -6.656 10.143 -0.509 209 2HB LEU 25 1HB LEU 25 -7.835 9.291 0.470 210 HG LEU 25 HG LEU 25 -7.213 11.023 2.321 211 1HD1 LEU 25 1HD1 LEU 25 -5.816 12.090 -0.069 212 2HD1 LEU 25 2HD1 LEU 25 -5.534 12.423 1.638 213 3HD1 LEU 25 3HD1 LEU 25 -6.830 13.254 0.782 214 1HD2 LEU 25 1HD2 LEU 25 -8.776 12.695 1.026 215 2HD2 LEU 25 2HD2 LEU 25 -9.390 11.102 1.474 216 3HD2 LEU 25 3HD2 LEU 25 -8.827 11.402 -0.173 217 H GLN 26 H GLN 26 -4.584 9.135 -1.025 218 HA GLN 26 HA GLN 26 -5.275 6.577 -1.962 219 1HB GLN 26 2HB GLN 26 -3.103 8.477 -2.657 220 2HB GLN 26 1HB GLN 26 -3.223 6.907 -3.419 221 1HG GLN 26 2HG GLN 26 -5.526 8.858 -3.289 222 2HG GLN 26 1HG GLN 26 -4.392 8.814 -4.648 223 1HE2 GLN 26 1HE2 GLN 26 -4.106 6.425 -5.564 224 2HE2 GLN 26 2HE2 GLN 26 -5.545 5.542 -5.738 225 H VAL 27 H VAL 27 -2.510 7.903 -0.322 226 HA VAL 27 HA VAL 27 -0.859 5.666 -0.201 227 HB VAL 27 HB VAL 27 -1.304 8.093 1.533 228 1HG1 VAL 27 1HG1 VAL 27 0.339 5.730 2.175 229 2HG1 VAL 27 2HG1 VAL 27 -0.362 6.967 3.232 230 3HG1 VAL 27 3HG1 VAL 27 1.130 7.298 2.350 231 1HG2 VAL 27 1HG2 VAL 27 0.736 7.219 -0.504 232 2HG2 VAL 27 2HG2 VAL 27 1.119 8.479 0.668 233 3HG2 VAL 27 3HG2 VAL 27 -0.216 8.702 -0.462 234 H VAL 28 H VAL 28 -3.434 6.850 1.835 235 HA VAL 28 HA VAL 28 -3.324 4.685 3.701 236 HB VAL 28 HB VAL 28 -5.430 6.792 3.343 237 1HG1 VAL 28 1HG1 VAL 28 -4.846 4.790 5.564 238 2HG1 VAL 28 2HG1 VAL 28 -6.254 4.729 4.491 239 3HG1 VAL 28 3HG1 VAL 28 -6.075 6.058 5.643 240 1HG2 VAL 28 1HG2 VAL 28 -3.586 6.711 5.659 241 2HG2 VAL 28 2HG2 VAL 28 -4.093 8.091 4.679 242 3HG2 VAL 28 3HG2 VAL 28 -2.797 7.026 4.112 243 H ALA 29 H ALA 29 -5.089 5.421 0.856 244 HA ALA 29 HA ALA 29 -7.197 3.622 0.912 245 1HB ALA 29 1HB ALA 29 -5.488 4.134 -1.523 246 2HB ALA 29 2HB ALA 29 -6.520 5.402 -0.847 247 3HB ALA 29 3HB ALA 29 -7.236 3.898 -1.427 248 H PHE 30 H PHE 30 -3.825 3.320 0.124 249 HA PHE 30 HA PHE 30 -3.954 0.644 -0.726 250 1HB PHE 30 2HB PHE 30 -1.826 2.589 0.005 251 2HB PHE 30 1HB PHE 30 -1.458 0.898 -0.232 252 HD1 PHE 30 1HD PHE 30 -1.914 3.971 -1.825 253 HD2 PHE 30 2HD PHE 30 -2.492 -0.226 -2.362 254 HE1 PHE 30 1HE PHE 30 -2.165 4.336 -4.210 255 HE2 PHE 30 2HE PHE 30 -2.657 0.111 -4.798 256 HZ PHE 30 HZ PHE 30 -2.523 2.399 -5.750 257 H ILE 31 H ILE 31 -3.244 2.360 2.336 258 HA ILE 31 HA ILE 31 -2.320 0.098 3.765 259 HB ILE 31 HB ILE 31 -4.185 2.230 4.870 260 1HG1 ILE 31 2HG1 ILE 31 -1.161 2.167 4.976 261 2HG1 ILE 31 1HG1 ILE 31 -2.081 3.170 3.862 262 1HG2 ILE 31 1HG2 ILE 31 -2.304 0.238 6.167 263 2HG2 ILE 31 2HG2 ILE 31 -4.055 0.348 6.368 264 3HG2 ILE 31 3HG2 ILE 31 -3.009 1.606 7.027 265 1HD1 ILE 31 1HD1 ILE 31 -3.194 3.500 6.483 266 2HD1 ILE 31 2HD1 ILE 31 -2.398 4.709 5.487 267 3HD1 ILE 31 3HD1 ILE 31 -1.450 3.721 6.595 268 H ASN 32 H ASN 32 -5.468 1.353 2.927 269 HA ASN 32 HA ASN 32 -7.043 -0.534 4.355 270 1HB ASN 32 2HB ASN 32 -7.481 1.492 2.204 271 2HB ASN 32 1HB ASN 32 -8.754 0.313 2.527 272 1HD2 ASN 32 1HD2 ASN 32 -7.461 3.306 3.523 273 2HD2 ASN 32 2HD2 ASN 32 -8.267 3.430 5.012 274 H SER 33 H SER 33 -5.827 -0.455 1.006 275 HA SER 33 HA SER 33 -7.284 -2.681 0.099 276 1HB SER 33 2HB SER 33 -4.575 -1.743 -0.829 277 2HB SER 33 1HB SER 33 -5.720 -2.736 -1.725 278 HG SER 33 HG SER 33 -6.218 -0.111 -0.765 279 H LEU 34 H LEU 34 -4.219 -2.403 1.814 280 HA LEU 34 HA LEU 34 -3.259 -5.042 1.444 281 1HB LEU 34 2HB LEU 34 -2.899 -3.697 4.108 282 2HB LEU 34 1HB LEU 34 -1.775 -4.713 3.219 283 HG LEU 34 HG LEU 34 -2.501 -1.846 2.683 284 1HD1 LEU 34 1HD1 LEU 34 -0.792 -1.912 4.276 285 2HD1 LEU 34 2HD1 LEU 34 0.064 -1.706 2.747 286 3HD1 LEU 34 3HD1 LEU 34 -0.014 -3.293 3.505 287 1HD2 LEU 34 1HD2 LEU 34 -2.322 -2.525 0.482 288 2HD2 LEU 34 2HD2 LEU 34 -1.292 -3.895 0.886 289 3HD2 LEU 34 3HD2 LEU 34 -0.618 -2.267 0.850 290 H ARG 35 H ARG 35 -5.332 -3.698 3.988 291 HA ARG 35 HA ARG 35 -5.672 -6.202 5.334 292 1HB ARG 35 2HB ARG 35 -6.814 -5.010 6.918 293 2HB ARG 35 1HB ARG 35 -5.961 -3.691 6.134 294 1HG ARG 35 2HG ARG 35 -8.065 -3.495 4.632 295 2HG ARG 35 1HG ARG 35 -8.859 -4.461 5.869 296 1HD ARG 35 2HD ARG 35 -7.988 -2.772 7.569 297 2HD ARG 35 1HD ARG 35 -7.526 -1.759 6.205 298 HE ARG 35 HE ARG 35 -10.004 -1.654 7.290 299 1HH1 ARG 35 1HH1 ARG 35 -8.868 -1.027 4.305 300 2HH1 ARG 35 2HH1 ARG 35 -10.296 -1.437 3.419 301 1HH2 ARG 35 1HH2 ARG 35 -11.853 -2.941 6.117 302 2HH2 ARG 35 2HH2 ARG 35 -11.985 -2.517 4.443 303 H ASP 36 H ASP 36 -7.386 -4.461 2.840 304 HA ASP 36 HA ASP 36 -9.721 -6.105 2.798 305 1HB ASP 36 2HB ASP 36 -8.443 -4.298 0.721 306 2HB ASP 36 1HB ASP 36 -9.981 -5.119 0.478 307 H ASP 37 H ASP 37 -6.470 -6.382 1.736 308 HA ASP 37 HA ASP 37 -6.780 -9.110 0.941 309 1HB ASP 37 2HB ASP 37 -7.719 -7.756 -1.030 310 2HB ASP 37 1HB ASP 37 -6.062 -7.252 -1.322 311 HA PRO 38 HA PRO 38 -2.495 -7.982 2.182 312 1HB PRO 38 2HB PRO 38 -2.219 -10.630 3.292 313 2HB PRO 38 1HB PRO 38 -2.298 -9.081 4.144 314 1HG PRO 38 2HG PRO 38 -4.235 -11.067 4.160 315 2HG PRO 38 1HG PRO 38 -4.432 -9.396 4.697 316 1HD PRO 38 2HD PRO 38 -5.405 -10.687 2.217 317 2HD PRO 38 1HD PRO 38 -6.007 -9.236 3.049 318 H SER 39 H SER 39 -3.783 -10.786 0.525 319 HA SER 39 HA SER 39 -1.355 -11.883 -0.444 320 1HB SER 39 2HB SER 39 -4.025 -11.948 -1.871 321 2HB SER 39 1HB SER 39 -2.707 -13.105 -2.001 322 HG SER 39 HG SER 39 -4.406 -12.593 0.209 323 H GLN 40 H GLN 40 -3.422 -9.251 -1.370 324 HA GLN 40 HA GLN 40 -1.958 -8.743 -3.833 325 1HB GLN 40 2HB GLN 40 -4.396 -7.492 -2.580 326 2HB GLN 40 1HB GLN 40 -3.625 -6.830 -4.020 327 1HG GLN 40 2HG GLN 40 -3.930 -8.974 -5.189 328 2HG GLN 40 1HG GLN 40 -4.676 -9.666 -3.755 329 1HE2 GLN 40 1HE2 GLN 40 -5.801 -6.573 -3.656 330 2HE2 GLN 40 2HE2 GLN 40 -7.207 -6.742 -4.589 331 H SER 41 H SER 41 -1.234 -8.189 -0.723 332 HA SER 41 HA SER 41 -0.717 -5.456 -0.411 333 1HB SER 41 2HB SER 41 0.989 -6.133 1.204 334 2HB SER 41 1HB SER 41 -0.371 -7.234 1.360 335 HG SER 41 HG SER 41 0.816 -8.804 0.583 336 H ALA 42 H ALA 42 0.871 -7.967 -2.167 337 HA ALA 42 HA ALA 42 3.261 -6.662 -2.916 338 1HB ALA 42 1HB ALA 42 2.820 -9.135 -2.923 339 2HB ALA 42 2HB ALA 42 3.513 -8.524 -4.429 340 3HB ALA 42 3HB ALA 42 1.781 -8.872 -4.329 341 H ASN 43 H ASN 43 0.134 -7.130 -4.408 342 HA ASN 43 HA ASN 43 0.712 -6.006 -6.961 343 1HB ASN 43 2HB ASN 43 -1.723 -6.657 -5.353 344 2HB ASN 43 1HB ASN 43 -1.845 -5.926 -6.950 345 1HD2 ASN 43 1HD2 ASN 43 -0.447 -7.198 -8.696 346 2HD2 ASN 43 2HD2 ASN 43 -0.524 -8.891 -8.603 347 H LEU 44 H LEU 44 -0.689 -4.944 -3.995 348 HA LEU 44 HA LEU 44 -1.791 -2.552 -4.837 349 1HB LEU 44 2HB LEU 44 -0.891 -3.530 -2.177 350 2HB LEU 44 1HB LEU 44 -1.777 -2.028 -2.382 351 HG LEU 44 HG LEU 44 -2.750 -4.585 -3.635 352 1HD1 LEU 44 1HD1 LEU 44 -4.287 -4.864 -1.724 353 2HD1 LEU 44 2HD1 LEU 44 -3.423 -3.589 -0.867 354 3HD1 LEU 44 3HD1 LEU 44 -2.604 -5.093 -1.271 355 1HD2 LEU 44 1HD2 LEU 44 -4.042 -1.988 -2.841 356 2HD2 LEU 44 2HD2 LEU 44 -4.898 -3.373 -3.526 357 3HD2 LEU 44 3HD2 LEU 44 -3.668 -2.538 -4.479 358 H LEU 45 H LEU 45 1.488 -3.090 -3.541 359 HA LEU 45 HA LEU 45 1.979 -0.243 -3.675 360 1HB LEU 45 2HB LEU 45 4.495 -1.550 -4.156 361 2HB LEU 45 1HB LEU 45 4.024 -0.547 -2.802 362 HG LEU 45 HG LEU 45 4.805 -2.665 -2.012 363 1HD1 LEU 45 1HD1 LEU 45 2.927 -1.616 -0.835 364 2HD1 LEU 45 2HD1 LEU 45 2.898 -3.374 -0.700 365 3HD1 LEU 45 3HD1 LEU 45 1.802 -2.560 -1.802 366 1HD2 LEU 45 1HD2 LEU 45 4.332 -4.655 -2.982 367 2HD2 LEU 45 2HD2 LEU 45 3.930 -3.631 -4.366 368 3HD2 LEU 45 3HD2 LEU 45 2.661 -4.221 -3.302 369 H ALA 46 H ALA 46 2.082 -2.979 -5.767 370 HA ALA 46 HA ALA 46 3.536 -1.917 -7.942 371 1HB ALA 46 1HB ALA 46 1.151 -3.519 -8.623 372 2HB ALA 46 2HB ALA 46 2.224 -4.280 -7.443 373 3HB ALA 46 3HB ALA 46 2.849 -3.808 -9.025 374 H GLU 47 H GLU 47 0.156 -1.862 -7.003 375 HA GLU 47 HA GLU 47 -0.841 -0.300 -9.151 376 1HB GLU 47 2HB GLU 47 -1.693 -1.329 -6.486 377 2HB GLU 47 1HB GLU 47 -2.576 0.069 -7.121 378 1HG GLU 47 2HG GLU 47 -3.806 -1.409 -8.321 379 2HG GLU 47 1HG GLU 47 -2.382 -1.605 -9.336 380 H ALA 48 H ALA 48 0.121 0.282 -5.861 381 HA ALA 48 HA ALA 48 -0.369 3.013 -5.653 382 1HB ALA 48 1HB ALA 48 0.730 2.892 -3.651 383 2HB ALA 48 2HB ALA 48 1.947 1.773 -4.273 384 3HB ALA 48 3HB ALA 48 0.327 1.201 -3.899 385 H LYS 49 H LYS 49 2.548 1.259 -6.558 386 HA LYS 49 HA LYS 49 4.172 3.553 -7.008 387 1HB LYS 49 2HB LYS 49 4.298 0.713 -8.061 388 2HB LYS 49 1HB LYS 49 5.512 1.930 -8.457 389 1HG LYS 49 2HG LYS 49 6.084 2.222 -6.120 390 2HG LYS 49 1HG LYS 49 4.757 1.188 -5.609 391 1HD LYS 49 2HD LYS 49 5.851 -0.695 -6.919 392 2HD LYS 49 1HD LYS 49 7.245 0.365 -7.132 393 1HE LYS 49 2HE LYS 49 7.525 0.534 -4.699 394 2HE LYS 49 1HE LYS 49 6.082 -0.447 -4.445 395 1HZ LYS 49 1HZ LYS 49 7.294 -2.164 -5.873 396 2HZ LYS 49 2HZ LYS 49 7.811 -1.954 -4.267 397 3HZ LYS 49 3HZ LYS 49 8.694 -1.264 -5.546 398 H LYS 50 H LYS 50 1.843 1.740 -8.937 399 HA LYS 50 HA LYS 50 2.355 3.129 -11.409 400 1HB LYS 50 2HB LYS 50 0.142 1.341 -10.391 401 2HB LYS 50 1HB LYS 50 0.009 2.166 -11.945 402 1HG LYS 50 2HG LYS 50 2.023 1.093 -12.756 403 2HG LYS 50 1HG LYS 50 2.354 0.404 -11.171 404 1HD LYS 50 2HD LYS 50 0.117 -0.802 -11.351 405 2HD LYS 50 1HD LYS 50 0.061 -0.274 -13.033 406 1HE LYS 50 2HE LYS 50 1.884 -1.604 -13.652 407 2HE LYS 50 1HE LYS 50 2.507 -1.692 -12.003 408 1HZ LYS 50 1HZ LYS 50 1.526 -3.776 -12.538 409 2HZ LYS 50 2HZ LYS 50 0.094 -3.041 -13.082 410 3HZ LYS 50 3HZ LYS 50 0.497 -3.003 -11.432 411 H LEU 51 H LEU 51 0.286 3.509 -8.632 412 HA LEU 51 HA LEU 51 -1.433 5.574 -9.569 413 1HB LEU 51 2HB LEU 51 -0.735 4.246 -7.044 414 2HB LEU 51 1HB LEU 51 -1.270 5.884 -6.875 415 HG LEU 51 HG LEU 51 -3.093 4.254 -6.650 416 1HD1 LEU 51 1HD1 LEU 51 -3.372 6.017 -9.090 417 2HD1 LEU 51 2HD1 LEU 51 -3.463 6.587 -7.415 418 3HD1 LEU 51 3HD1 LEU 51 -4.670 5.452 -8.037 419 1HD2 LEU 51 1HD2 LEU 51 -3.831 3.318 -9.029 420 2HD2 LEU 51 2HD2 LEU 51 -2.666 2.439 -8.028 421 3HD2 LEU 51 3HD2 LEU 51 -2.102 3.446 -9.363 422 H ASN 52 H ASN 52 1.482 5.446 -7.655 423 HA ASN 52 HA ASN 52 1.781 8.127 -6.991 424 1HB ASN 52 2HB ASN 52 2.981 6.152 -6.019 425 2HB ASN 52 1HB ASN 52 3.923 6.042 -7.501 426 1HD2 ASN 52 1HD2 ASN 52 5.770 7.332 -7.637 427 2HD2 ASN 52 2HD2 ASN 52 6.179 8.536 -6.512 428 H ASP 53 H ASP 53 3.039 6.207 -9.645 429 HA ASP 53 HA ASP 53 4.330 8.334 -10.965 430 1HB ASP 53 2HB ASP 53 4.942 5.933 -11.215 431 2HB ASP 53 1HB ASP 53 3.433 5.683 -12.092 432 H ALA 54 H ALA 54 1.184 6.783 -11.259 433 HA ALA 54 HA ALA 54 0.399 8.034 -13.706 434 1HB ALA 54 1HB ALA 54 -0.608 5.974 -12.975 435 2HB ALA 54 2HB ALA 54 -1.854 7.220 -13.057 436 3HB ALA 54 3HB ALA 54 -1.180 6.752 -11.496 437 H GLN 55 H GLN 55 -0.276 8.800 -10.295 438 HA GLN 55 HA GLN 55 -2.117 10.908 -11.013 439 1HB GLN 55 2HB GLN 55 -0.844 10.072 -8.407 440 2HB GLN 55 1HB GLN 55 -1.985 11.397 -8.559 441 1HG GLN 55 2HG GLN 55 -3.660 9.819 -9.503 442 2HG GLN 55 1HG GLN 55 -2.525 8.497 -9.223 443 1HE2 GLN 55 1HE2 GLN 55 -1.893 10.619 -6.753 444 2HE2 GLN 55 2HE2 GLN 55 -2.942 9.971 -5.578 445 H ALA 56 H ALA 56 1.104 10.616 -9.675 446 HA ALA 56 HA ALA 56 2.691 12.242 -9.144 447 1HB ALA 56 1HB ALA 56 3.080 11.670 -11.525 448 2HB ALA 56 2HB ALA 56 3.544 13.330 -11.151 449 3HB ALA 56 3HB ALA 56 2.032 13.006 -12.001 450 HA PRO 57 HA PRO 57 -1.072 15.202 -8.312 451 1HB PRO 57 2HB PRO 57 0.323 15.598 -5.797 452 2HB PRO 57 1HB PRO 57 -1.262 14.858 -6.090 453 1HG PRO 57 2HG PRO 57 1.401 13.588 -5.862 454 2HG PRO 57 1HG PRO 57 -0.204 12.945 -5.455 455 1HD PRO 57 2HD PRO 57 0.988 12.022 -7.625 456 2HD PRO 57 1HD PRO 57 -0.713 12.493 -7.721 457 H LYS 58 H LYS 58 -0.656 16.946 -9.543 458 HA LYS 58 HA LYS 58 1.852 18.402 -9.423 459 1HB LYS 58 2HB LYS 58 -0.710 18.951 -10.951 460 2HB LYS 58 1HB LYS 58 0.807 19.829 -11.156 461 1HG LYS 58 2HG LYS 58 1.930 17.677 -11.751 462 2HG LYS 58 1HG LYS 58 0.367 16.865 -11.647 463 1HD LYS 58 2HD LYS 58 -0.506 18.453 -13.390 464 2HD LYS 58 1HD LYS 58 1.130 19.090 -13.564 465 1HE LYS 58 2HE LYS 58 0.341 16.188 -13.984 466 2HE LYS 58 1HE LYS 58 0.623 17.357 -15.274 467 1HZ LYS 58 1HZ LYS 58 2.884 17.678 -14.312 468 2HZ LYS 58 2HZ LYS 58 2.613 16.135 -14.967 469 3HZ LYS 58 3HZ LYS 58 2.585 16.364 -13.284 Start of MODEL 39 1 1H VAL 1 1HT VAL 1 1.623 -13.850 17.408 2 2H VAL 1 2HT VAL 1 2.916 -14.927 17.641 3 3H VAL 1 3HT VAL 1 1.454 -15.157 18.476 4 HA VAL 1 HA VAL 1 2.002 -15.542 15.596 5 HB VAL 1 HB VAL 1 0.754 -17.331 17.717 6 1HG1 VAL 1 1HG1 VAL 1 1.133 -19.099 15.966 7 2HG1 VAL 1 2HG1 VAL 1 1.575 -17.822 14.833 8 3HG1 VAL 1 3HG1 VAL 1 -0.060 -17.889 15.493 9 1HG2 VAL 1 1HG2 VAL 1 2.912 -18.615 17.463 10 2HG2 VAL 1 2HG2 VAL 1 3.115 -17.029 18.205 11 3HG2 VAL 1 3HG2 VAL 1 3.543 -17.270 16.511 12 H ASP 2 H ASP 2 0.519 -14.670 14.315 13 HA ASP 2 HA ASP 2 -2.306 -15.024 14.784 14 1HB ASP 2 2HB ASP 2 -2.911 -12.676 14.865 15 2HB ASP 2 1HB ASP 2 -1.775 -13.003 16.167 16 H ASN 3 H ASN 3 -3.140 -12.945 13.001 17 HA ASN 3 HA ASN 3 -2.802 -14.209 10.498 18 1HB ASN 3 2HB ASN 3 -3.691 -11.373 11.097 19 2HB ASN 3 1HB ASN 3 -3.934 -12.229 9.576 20 1HD2 ASN 3 1HD2 ASN 3 -5.227 -11.731 12.749 21 2HD2 ASN 3 2HD2 ASN 3 -6.477 -12.873 12.647 22 H LYS 4 H LYS 4 -1.488 -13.781 8.767 23 HA LYS 4 HA LYS 4 0.987 -12.422 9.306 24 1HB LYS 4 2HB LYS 4 -0.007 -13.683 6.748 25 2HB LYS 4 1HB LYS 4 1.653 -13.186 7.076 26 1HG LYS 4 2HG LYS 4 1.707 -14.765 9.014 27 2HG LYS 4 1HG LYS 4 0.094 -15.322 8.566 28 1HD LYS 4 2HD LYS 4 1.010 -15.924 6.295 29 2HD LYS 4 1HD LYS 4 2.620 -15.535 6.901 30 1HE LYS 4 2HE LYS 4 2.683 -17.726 7.519 31 2HE LYS 4 1HE LYS 4 1.690 -17.198 8.877 32 1HZ LYS 4 1HZ LYS 4 0.619 -19.032 7.826 33 2HZ LYS 4 2HZ LYS 4 0.740 -18.308 6.294 34 3HZ LYS 4 3HZ LYS 4 -0.283 -17.639 7.474 35 H PHE 5 H PHE 5 -1.874 -11.197 8.667 36 HA PHE 5 HA PHE 5 -1.744 -9.530 6.461 37 1HB PHE 5 2HB PHE 5 -3.030 -9.328 9.156 38 2HB PHE 5 1HB PHE 5 -3.079 -7.964 8.055 39 HD1 PHE 5 1HD PHE 5 -3.272 -11.664 7.418 40 HD2 PHE 5 2HD PHE 5 -5.238 -7.834 7.214 41 HE1 PHE 5 1HE PHE 5 -5.208 -12.694 6.226 42 HE2 PHE 5 2HE PHE 5 -7.147 -8.864 6.030 43 HZ PHE 5 HZ PHE 5 -7.132 -11.278 5.532 44 H ASN 6 H ASN 6 -0.958 -8.656 9.823 45 HA ASN 6 HA ASN 6 -0.074 -6.070 9.315 46 1HB ASN 6 2HB ASN 6 -0.616 -7.124 11.536 47 2HB ASN 6 1HB ASN 6 0.993 -7.837 11.490 48 1HD2 ASN 6 1HD2 ASN 6 2.649 -6.551 12.340 49 2HD2 ASN 6 2HD2 ASN 6 2.544 -4.873 12.577 50 H LYS 7 H LYS 7 1.852 -9.057 9.602 51 HA LYS 7 HA LYS 7 4.356 -7.880 9.289 52 1HB LYS 7 2HB LYS 7 4.054 -10.170 10.055 53 2HB LYS 7 1HB LYS 7 3.441 -10.639 8.473 54 1HG LYS 7 2HG LYS 7 5.738 -11.295 8.493 55 2HG LYS 7 1HG LYS 7 5.679 -9.834 7.518 56 1HD LYS 7 2HD LYS 7 6.103 -9.393 10.427 57 2HD LYS 7 1HD LYS 7 7.418 -10.218 9.596 58 1HE LYS 7 2HE LYS 7 6.219 -7.538 8.828 59 2HE LYS 7 1HE LYS 7 7.805 -7.806 9.542 60 1HZ LYS 7 1HZ LYS 7 8.332 -7.692 7.338 61 2HZ LYS 7 2HZ LYS 7 6.866 -8.376 6.823 62 3HZ LYS 7 3HZ LYS 7 8.079 -9.363 7.485 63 H GLU 8 H GLU 8 2.012 -9.055 6.923 64 HA GLU 8 HA GLU 8 3.703 -8.537 4.644 65 1HB GLU 8 2HB GLU 8 1.846 -10.210 4.678 66 2HB GLU 8 1HB GLU 8 0.691 -8.885 4.813 67 1HG GLU 8 2HG GLU 8 0.934 -9.619 2.471 68 2HG GLU 8 1HG GLU 8 1.469 -7.958 2.693 69 H ARG 9 H ARG 9 1.237 -6.859 6.444 70 HA ARG 9 HA ARG 9 0.866 -4.668 4.727 71 1HB ARG 9 2HB ARG 9 0.095 -5.380 7.492 72 2HB ARG 9 1HB ARG 9 0.132 -3.663 7.116 73 1HG ARG 9 2HG ARG 9 -1.610 -3.802 5.645 74 2HG ARG 9 1HG ARG 9 -1.159 -5.409 5.088 75 1HD ARG 9 2HD ARG 9 -3.347 -5.103 6.488 76 2HD ARG 9 1HD ARG 9 -2.299 -6.474 6.809 77 HE ARG 9 HE ARG 9 -2.118 -5.627 8.951 78 1HH1 ARG 9 1HH2 ARG 9 -3.877 -3.257 7.458 79 2HH1 ARG 9 2HH2 ARG 9 -3.212 -1.919 8.333 80 1HH2 ARG 9 1HH1 ARG 9 -0.667 -3.784 9.768 81 2HH2 ARG 9 2HH1 ARG 9 -1.396 -2.218 9.641 82 H VAL 10 H VAL 10 3.176 -5.315 7.298 83 HA VAL 10 HA VAL 10 4.051 -2.669 7.732 84 HB VAL 10 HB VAL 10 5.859 -5.092 7.836 85 1HG1 VAL 10 1HG1 VAL 10 5.957 -2.654 9.613 86 2HG1 VAL 10 2HG1 VAL 10 6.696 -2.620 8.007 87 3HG1 VAL 10 3HG1 VAL 10 7.250 -3.787 9.215 88 1HG2 VAL 10 1HG2 VAL 10 4.464 -5.919 9.398 89 2HG2 VAL 10 2HG2 VAL 10 3.579 -4.398 9.564 90 3HG2 VAL 10 3HG2 VAL 10 5.089 -4.643 10.440 91 H ILE 11 H ILE 11 5.124 -5.261 5.714 92 HA ILE 11 HA ILE 11 7.263 -4.012 4.435 93 HB ILE 11 HB ILE 11 5.381 -6.181 3.476 94 1HG1 ILE 11 2HG1 ILE 11 8.072 -6.509 4.836 95 2HG1 ILE 11 1HG1 ILE 11 6.548 -6.528 5.733 96 1HG2 ILE 11 1HG2 ILE 11 7.134 -6.852 1.982 97 2HG2 ILE 11 2HG2 ILE 11 8.238 -5.638 2.640 98 3HG2 ILE 11 3HG2 ILE 11 6.824 -5.130 1.710 99 1HD1 ILE 11 1HD1 ILE 11 5.852 -8.530 4.766 100 2HD1 ILE 11 2HD1 ILE 11 7.597 -8.788 4.826 101 3HD1 ILE 11 3HD1 ILE 11 6.831 -8.293 3.313 102 H ALA 12 H ALA 12 3.910 -4.482 3.541 103 HA ALA 12 HA ALA 12 3.984 -3.087 1.084 104 1HB ALA 12 1HB ALA 12 2.323 -4.626 1.240 105 2HB ALA 12 2HB ALA 12 1.424 -3.150 1.590 106 3HB ALA 12 3HB ALA 12 1.937 -4.215 2.919 107 H ILE 13 H ILE 13 2.709 -2.116 4.298 108 HA ILE 13 HA ILE 13 1.777 0.411 3.479 109 HB ILE 13 HB ILE 13 1.235 -0.751 5.675 110 1HG1 ILE 13 2HG1 ILE 13 1.907 2.082 5.230 111 2HG1 ILE 13 1HG1 ILE 13 0.426 1.368 5.842 112 1HG2 ILE 13 1HG2 ILE 13 3.748 -1.221 6.097 113 2HG2 ILE 13 2HG2 ILE 13 2.774 -0.746 7.475 114 3HG2 ILE 13 3HG2 ILE 13 3.832 0.426 6.691 115 1HD1 ILE 13 1HD1 ILE 13 1.371 2.675 7.621 116 2HD1 ILE 13 2HD1 ILE 13 2.964 1.954 7.371 117 3HD1 ILE 13 3HD1 ILE 13 1.644 0.978 8.023 118 H GLY 14 H GLY 14 4.823 -0.838 4.585 119 1HA GLY 14 2HA GLY 14 6.210 1.587 4.837 120 2HA GLY 14 1HA GLY 14 6.936 -0.020 4.660 121 H GLU 15 H GLU 15 5.602 -0.702 2.166 122 HA GLU 15 HA GLU 15 7.399 0.524 0.310 123 1HB GLU 15 2HB GLU 15 4.948 -1.214 -0.061 124 2HB GLU 15 1HB GLU 15 5.979 -0.701 -1.390 125 1HG GLU 15 2HG GLU 15 7.588 -1.859 0.720 126 2HG GLU 15 1HG GLU 15 6.285 -2.967 0.269 127 H ILE 16 H ILE 16 3.920 0.662 0.880 128 HA ILE 16 HA ILE 16 3.384 2.506 -1.157 129 HB ILE 16 HB ILE 16 1.805 1.308 1.058 130 1HG1 ILE 16 2HG1 ILE 16 1.415 1.322 -1.934 131 2HG1 ILE 16 1HG1 ILE 16 2.532 0.223 -1.147 132 1HG2 ILE 16 1HG2 ILE 16 -0.008 2.657 0.820 133 2HG2 ILE 16 2HG2 ILE 16 0.253 2.888 -0.919 134 3HG2 ILE 16 3HG2 ILE 16 1.139 3.866 0.250 135 1HD1 ILE 16 1HD1 ILE 16 0.814 -1.156 -0.760 136 2HD1 ILE 16 2HD1 ILE 16 -0.308 0.027 -1.422 137 3HD1 ILE 16 3HD1 ILE 16 0.111 0.066 0.297 138 H MET 17 H MET 17 3.847 2.931 2.302 139 HA MET 17 HA MET 17 3.079 5.645 2.431 140 1HB MET 17 2HB MET 17 4.854 3.923 4.174 141 2HB MET 17 1HB MET 17 4.520 5.620 4.550 142 1HG MET 17 2HG MET 17 2.336 3.580 4.050 143 2HG MET 17 1HG MET 17 2.957 3.937 5.658 144 1HE MET 17 1HE MET 17 -0.716 5.467 4.951 145 2HE MET 17 2HE MET 17 0.160 4.051 5.535 146 3HE MET 17 3HE MET 17 -0.008 4.315 3.805 147 H ARG 18 H ARG 18 5.900 4.132 1.145 148 HA ARG 18 HA ARG 18 7.732 6.324 1.398 149 1HB ARG 18 2HB ARG 18 8.515 4.031 1.071 150 2HB ARG 18 1HB ARG 18 7.677 3.942 -0.475 151 1HG ARG 18 2HG ARG 18 9.091 5.802 -1.328 152 2HG ARG 18 1HG ARG 18 9.968 5.814 0.205 153 1HD ARG 18 2HD ARG 18 10.575 3.422 -0.179 154 2HD ARG 18 1HD ARG 18 9.781 3.504 -1.750 155 HE ARG 18 HE ARG 18 12.374 4.580 -1.075 156 1HH1 ARG 18 1HH2 ARG 18 10.891 6.955 -2.139 157 2HH1 ARG 18 2HH2 ARG 18 11.174 6.839 -3.844 158 1HH2 ARG 18 1HH1 ARG 18 12.184 3.529 -3.717 159 2HH2 ARG 18 2HH1 ARG 18 11.906 4.900 -4.737 160 H LEU 19 H LEU 19 5.406 5.246 -0.964 161 HA LEU 19 HA LEU 19 5.984 6.544 -3.259 162 1HB LEU 19 2HB LEU 19 3.240 6.359 -2.041 163 2HB LEU 19 1HB LEU 19 3.626 6.471 -3.761 164 HG LEU 19 HG LEU 19 4.514 4.221 -1.923 165 1HD1 LEU 19 1HD1 LEU 19 2.896 2.844 -2.979 166 2HD1 LEU 19 2HD1 LEU 19 2.493 4.105 -4.148 167 3HD1 LEU 19 3HD1 LEU 19 2.051 4.297 -2.452 168 1HD2 LEU 19 1HD2 LEU 19 5.024 4.905 -4.794 169 2HD2 LEU 19 2HD2 LEU 19 4.956 3.209 -4.297 170 3HD2 LEU 19 3HD2 LEU 19 6.138 4.295 -3.559 171 HA PRO 20 HA PRO 20 5.856 10.846 -1.820 172 1HB PRO 20 2HB PRO 20 7.275 11.599 -4.211 173 2HB PRO 20 1HB PRO 20 7.899 11.486 -2.559 174 1HG PRO 20 2HG PRO 20 8.594 9.839 -4.675 175 2HG PRO 20 1HG PRO 20 8.872 9.501 -2.959 176 1HD PRO 20 2HD PRO 20 6.784 8.417 -4.784 177 2HD PRO 20 1HD PRO 20 7.557 7.674 -3.365 178 H ASN 21 H ASN 21 4.522 9.393 -4.640 179 HA ASN 21 HA ASN 21 3.301 11.955 -5.481 180 1HB ASN 21 2HB ASN 21 4.004 9.458 -6.935 181 2HB ASN 21 1HB ASN 21 2.765 10.516 -7.584 182 1HD2 ASN 21 1HD2 ASN 21 5.815 9.904 -8.232 183 2HD2 ASN 21 2HD2 ASN 21 6.440 11.459 -8.489 184 H LEU 22 H LEU 22 2.269 10.512 -3.247 185 HA LEU 22 HA LEU 22 -0.451 10.024 -4.265 186 1HB LEU 22 2HB LEU 22 1.064 8.325 -2.280 187 2HB LEU 22 1HB LEU 22 -0.695 8.256 -2.474 188 HG LEU 22 HG LEU 22 1.172 7.924 -4.827 189 1HD1 LEU 22 1HD1 LEU 22 1.384 5.672 -4.446 190 2HD1 LEU 22 2HD1 LEU 22 -0.080 5.578 -3.467 191 3HD1 LEU 22 3HD1 LEU 22 1.399 6.247 -2.783 192 1HD2 LEU 22 1HD2 LEU 22 -1.245 6.418 -4.910 193 2HD2 LEU 22 2HD2 LEU 22 -0.780 7.791 -5.930 194 3HD2 LEU 22 3HD2 LEU 22 -1.664 8.065 -4.417 195 H ASN 23 H ASN 23 -2.095 10.672 -2.949 196 HA ASN 23 HA ASN 23 -1.356 12.606 -0.876 197 1HB ASN 23 2HB ASN 23 -3.949 12.766 -0.737 198 2HB ASN 23 1HB ASN 23 -3.158 13.410 -2.170 199 1HD2 ASN 23 1HD2 ASN 23 -3.382 12.211 -4.190 200 2HD2 ASN 23 2HD2 ASN 23 -4.544 10.984 -4.358 201 H SER 24 H SER 24 -2.248 12.348 1.308 202 HA SER 24 HA SER 24 -1.587 9.927 2.425 203 1HB SER 24 2HB SER 24 -2.913 10.579 4.386 204 2HB SER 24 1HB SER 24 -1.853 11.864 3.803 205 HG SER 24 HG SER 24 -4.641 11.560 3.331 206 H LEU 25 H LEU 25 -4.711 10.905 1.128 207 HA LEU 25 HA LEU 25 -6.225 8.756 2.158 208 1HB LEU 25 2HB LEU 25 -6.628 10.150 -0.484 209 2HB LEU 25 1HB LEU 25 -7.827 9.282 0.457 210 HG LEU 25 HG LEU 25 -7.272 11.009 2.334 211 1HD1 LEU 25 1HD1 LEU 25 -5.830 12.103 -0.018 212 2HD1 LEU 25 2HD1 LEU 25 -5.585 12.423 1.698 213 3HD1 LEU 25 3HD1 LEU 25 -6.868 13.253 0.822 214 1HD2 LEU 25 1HD2 LEU 25 -9.426 11.074 1.431 215 2HD2 LEU 25 2HD2 LEU 25 -8.824 11.379 -0.201 216 3HD2 LEU 25 3HD2 LEU 25 -8.814 12.674 1.001 217 H GLN 26 H GLN 26 -4.539 9.159 -0.963 218 HA GLN 26 HA GLN 26 -5.191 6.602 -1.929 219 1HB GLN 26 2HB GLN 26 -3.015 8.529 -2.537 220 2HB GLN 26 1HB GLN 26 -3.091 6.971 -3.324 221 1HG GLN 26 2HG GLN 26 -5.452 8.850 -3.223 222 2HG GLN 26 1HG GLN 26 -4.260 8.925 -4.526 223 1HE2 GLN 26 1HE2 GLN 26 -3.770 6.414 -5.314 224 2HE2 GLN 26 2HE2 GLN 26 -5.187 5.561 -5.695 225 H VAL 27 H VAL 27 -2.474 7.937 -0.218 226 HA VAL 27 HA VAL 27 -0.811 5.713 -0.064 227 HB VAL 27 HB VAL 27 -1.323 8.129 1.668 228 1HG1 VAL 27 1HG1 VAL 27 0.328 5.776 2.337 229 2HG1 VAL 27 2HG1 VAL 27 -0.425 6.991 3.386 230 3HG1 VAL 27 3HG1 VAL 27 1.089 7.353 2.555 231 1HG2 VAL 27 1HG2 VAL 27 -0.183 8.767 -0.280 232 2HG2 VAL 27 2HG2 VAL 27 0.767 7.283 -0.324 233 3HG2 VAL 27 3HG2 VAL 27 1.128 8.525 0.874 234 H VAL 28 H VAL 28 -3.438 6.871 1.926 235 HA VAL 28 HA VAL 28 -3.351 4.694 3.777 236 HB VAL 28 HB VAL 28 -5.463 6.790 3.405 237 1HG1 VAL 28 1HG1 VAL 28 -6.102 6.041 5.711 238 2HG1 VAL 28 2HG1 VAL 28 -4.884 4.764 5.604 239 3HG1 VAL 28 3HG1 VAL 28 -6.297 4.732 4.536 240 1HG2 VAL 28 1HG2 VAL 28 -2.838 7.032 4.206 241 2HG2 VAL 28 2HG2 VAL 28 -3.649 6.711 5.741 242 3HG2 VAL 28 3HG2 VAL 28 -4.145 8.092 4.756 243 H ALA 29 H ALA 29 -5.076 5.439 0.910 244 HA ALA 29 HA ALA 29 -7.176 3.630 0.921 245 1HB ALA 29 1HB ALA 29 -6.488 5.419 -0.820 246 2HB ALA 29 2HB ALA 29 -7.172 3.909 -1.422 247 3HB ALA 29 3HB ALA 29 -5.424 4.170 -1.478 248 H PHE 30 H PHE 30 -3.797 3.353 0.169 249 HA PHE 30 HA PHE 30 -3.893 0.686 -0.698 250 1HB PHE 30 2HB PHE 30 -1.798 2.658 0.059 251 2HB PHE 30 1HB PHE 30 -1.398 0.974 -0.183 252 HD1 PHE 30 1HD PHE 30 -2.457 -0.161 -2.317 253 HD2 PHE 30 2HD PHE 30 -1.845 4.037 -1.778 254 HE1 PHE 30 1HE PHE 30 -2.629 0.183 -4.746 255 HE2 PHE 30 2HE PHE 30 -2.088 4.402 -4.161 256 HZ PHE 30 HZ PHE 30 -2.473 2.470 -5.699 257 H ILE 31 H ILE 31 -3.233 2.374 2.390 258 HA ILE 31 HA ILE 31 -2.320 0.097 3.801 259 HB ILE 31 HB ILE 31 -4.198 2.208 4.925 260 1HG1 ILE 31 2HG1 ILE 31 -1.174 2.182 5.012 261 2HG1 ILE 31 1HG1 ILE 31 -2.113 3.183 3.913 262 1HG2 ILE 31 1HG2 ILE 31 -2.253 0.265 6.209 263 2HG2 ILE 31 2HG2 ILE 31 -4.008 0.278 6.384 264 3HG2 ILE 31 3HG2 ILE 31 -3.043 1.583 7.074 265 1HD1 ILE 31 1HD1 ILE 31 -1.478 3.706 6.655 266 2HD1 ILE 31 2HD1 ILE 31 -3.222 3.481 6.536 267 3HD1 ILE 31 3HD1 ILE 31 -2.426 4.702 5.556 268 H ASN 32 H ASN 32 -5.461 1.352 2.937 269 HA ASN 32 HA ASN 32 -7.054 -0.551 4.333 270 1HB ASN 32 2HB ASN 32 -7.466 1.519 2.222 271 2HB ASN 32 1HB ASN 32 -8.746 0.337 2.496 272 1HD2 ASN 32 1HD2 ASN 32 -6.635 2.613 4.330 273 2HD2 ASN 32 2HD2 ASN 32 -7.806 2.988 5.500 274 H SER 33 H SER 33 -5.758 -0.463 1.026 275 HA SER 33 HA SER 33 -7.255 -2.661 0.077 276 1HB SER 33 2HB SER 33 -4.537 -1.726 -0.835 277 2HB SER 33 1HB SER 33 -5.684 -2.704 -1.744 278 HG SER 33 HG SER 33 -6.159 -0.081 -0.763 279 H LEU 34 H LEU 34 -4.209 -2.394 1.817 280 HA LEU 34 HA LEU 34 -3.214 -5.016 1.433 281 1HB LEU 34 2HB LEU 34 -2.933 -3.679 4.114 282 2HB LEU 34 1HB LEU 34 -1.782 -4.699 3.262 283 HG LEU 34 HG LEU 34 -2.491 -1.833 2.710 284 1HD1 LEU 34 1HD1 LEU 34 -0.019 -3.293 3.554 285 2HD1 LEU 34 2HD1 LEU 34 -0.800 -1.912 4.321 286 3HD1 LEU 34 3HD1 LEU 34 0.073 -1.704 2.802 287 1HD2 LEU 34 1HD2 LEU 34 -2.302 -2.528 0.509 288 2HD2 LEU 34 2HD2 LEU 34 -1.252 -3.880 0.925 289 3HD2 LEU 34 3HD2 LEU 34 -0.605 -2.240 0.889 290 H ARG 35 H ARG 35 -5.338 -3.758 3.994 291 HA ARG 35 HA ARG 35 -5.657 -6.320 5.245 292 1HB ARG 35 2HB ARG 35 -7.422 -5.214 6.579 293 2HB ARG 35 1HB ARG 35 -5.905 -4.328 6.558 294 1HG ARG 35 2HG ARG 35 -6.793 -2.838 4.802 295 2HG ARG 35 1HG ARG 35 -8.333 -3.695 4.864 296 1HD ARG 35 2HD ARG 35 -8.525 -3.080 7.276 297 2HD ARG 35 1HD ARG 35 -7.033 -2.155 7.132 298 HE ARG 35 HE ARG 35 -8.321 -0.453 6.253 299 1HH1 ARG 35 1HH2 ARG 35 -10.863 -1.915 7.136 300 2HH1 ARG 35 2HH2 ARG 35 -11.772 -1.927 5.662 301 1HH2 ARG 35 1HH1 ARG 35 -9.051 -1.157 3.671 302 2HH2 ARG 35 2HH1 ARG 35 -10.746 -1.500 3.703 303 H ASP 36 H ASP 36 -7.388 -4.488 2.838 304 HA ASP 36 HA ASP 36 -9.710 -6.135 2.727 305 1HB ASP 36 2HB ASP 36 -8.418 -4.278 0.700 306 2HB ASP 36 1HB ASP 36 -9.963 -5.081 0.440 307 H ASP 37 H ASP 37 -6.448 -6.409 1.740 308 HA ASP 37 HA ASP 37 -6.747 -9.111 0.868 309 1HB ASP 37 2HB ASP 37 -7.659 -7.725 -1.094 310 2HB ASP 37 1HB ASP 37 -5.998 -7.216 -1.354 311 HA PRO 38 HA PRO 38 -2.475 -8.021 2.182 312 1HB PRO 38 2HB PRO 38 -2.208 -10.702 3.209 313 2HB PRO 38 1HB PRO 38 -2.299 -9.181 4.109 314 1HG PRO 38 2HG PRO 38 -4.234 -11.169 4.039 315 2HG PRO 38 1HG PRO 38 -4.438 -9.517 4.627 316 1HD PRO 38 2HD PRO 38 -5.386 -10.726 2.099 317 2HD PRO 38 1HD PRO 38 -5.995 -9.302 2.971 318 H SER 39 H SER 39 -3.741 -10.788 0.443 319 HA SER 39 HA SER 39 -1.305 -11.851 -0.540 320 1HB SER 39 2HB SER 39 -3.964 -11.901 -1.983 321 2HB SER 39 1HB SER 39 -2.641 -13.052 -2.121 322 HG SER 39 HG SER 39 -4.332 -12.572 0.105 323 H GLN 40 H GLN 40 -3.379 -9.207 -1.427 324 HA GLN 40 HA GLN 40 -1.905 -8.661 -3.875 325 1HB GLN 40 2HB GLN 40 -4.327 -7.369 -2.618 326 2HB GLN 40 1HB GLN 40 -3.566 -6.771 -4.089 327 1HG GLN 40 2HG GLN 40 -4.472 -9.643 -3.805 328 2HG GLN 40 1HG GLN 40 -5.545 -8.376 -4.398 329 1HE2 GLN 40 1HE2 GLN 40 -4.593 -7.069 -6.329 330 2HE2 GLN 40 2HE2 GLN 40 -3.680 -7.941 -7.464 331 H SER 41 H SER 41 -1.202 -8.158 -0.756 332 HA SER 41 HA SER 41 -0.694 -5.430 -0.402 333 1HB SER 41 2HB SER 41 0.986 -6.116 1.228 334 2HB SER 41 1HB SER 41 -0.356 -7.242 1.343 335 HG SER 41 HG SER 41 2.186 -7.753 0.771 336 H ALA 42 H ALA 42 0.924 -7.913 -2.174 337 HA ALA 42 HA ALA 42 3.308 -6.573 -2.888 338 1HB ALA 42 1HB ALA 42 2.899 -9.054 -2.918 339 2HB ALA 42 2HB ALA 42 3.601 -8.421 -4.409 340 3HB ALA 42 3HB ALA 42 1.872 -8.793 -4.334 341 H ASN 43 H ASN 43 0.200 -7.066 -4.399 342 HA ASN 43 HA ASN 43 0.767 -5.925 -6.945 343 1HB ASN 43 2HB ASN 43 -1.662 -6.595 -5.342 344 2HB ASN 43 1HB ASN 43 -1.778 -5.891 -6.952 345 1HD2 ASN 43 1HD2 ASN 43 -1.652 -7.355 -8.703 346 2HD2 ASN 43 2HD2 ASN 43 -1.156 -8.972 -8.562 347 H LEU 44 H LEU 44 -0.565 -4.872 -3.946 348 HA LEU 44 HA LEU 44 -1.727 -2.500 -4.805 349 1HB LEU 44 2HB LEU 44 -0.869 -3.493 -2.133 350 2HB LEU 44 1HB LEU 44 -1.747 -1.984 -2.342 351 HG LEU 44 HG LEU 44 -2.703 -4.526 -3.634 352 1HD1 LEU 44 1HD1 LEU 44 -4.290 -4.790 -1.747 353 2HD1 LEU 44 2HD1 LEU 44 -3.398 -3.554 -0.865 354 3HD1 LEU 44 3HD1 LEU 44 -2.617 -5.073 -1.286 355 1HD2 LEU 44 1HD2 LEU 44 -3.997 -1.925 -2.857 356 2HD2 LEU 44 2HD2 LEU 44 -4.854 -3.306 -3.547 357 3HD2 LEU 44 3HD2 LEU 44 -3.611 -2.483 -4.492 358 H LEU 45 H LEU 45 1.549 -3.022 -3.497 359 HA LEU 45 HA LEU 45 2.006 -0.166 -3.601 360 1HB LEU 45 2HB LEU 45 4.543 -1.418 -4.079 361 2HB LEU 45 1HB LEU 45 4.037 -0.466 -2.701 362 HG LEU 45 HG LEU 45 4.852 -2.605 -1.978 363 1HD1 LEU 45 1HD1 LEU 45 2.964 -1.593 -0.771 364 2HD1 LEU 45 2HD1 LEU 45 2.958 -3.353 -0.672 365 3HD1 LEU 45 3HD1 LEU 45 1.848 -2.531 -1.754 366 1HD2 LEU 45 1HD2 LEU 45 3.898 -3.502 -4.362 367 2HD2 LEU 45 2HD2 LEU 45 2.722 -4.176 -3.241 368 3HD2 LEU 45 3HD2 LEU 45 4.426 -4.548 -3.042 369 H ALA 46 H ALA 46 2.146 -2.881 -5.716 370 HA ALA 46 HA ALA 46 3.566 -1.767 -7.894 371 1HB ALA 46 1HB ALA 46 2.390 -4.176 -7.388 372 2HB ALA 46 2HB ALA 46 2.924 -3.667 -8.991 373 3HB ALA 46 3HB ALA 46 1.234 -3.473 -8.516 374 H GLU 47 H GLU 47 0.186 -1.817 -6.955 375 HA GLU 47 HA GLU 47 -0.924 -0.312 -9.081 376 1HB GLU 47 2HB GLU 47 -1.635 -1.286 -6.368 377 2HB GLU 47 1HB GLU 47 -2.527 0.131 -6.928 378 1HG GLU 47 2HG GLU 47 -3.531 -1.013 -8.670 379 2HG GLU 47 1HG GLU 47 -2.233 -2.203 -8.781 380 H ALA 48 H ALA 48 0.119 0.352 -5.841 381 HA ALA 48 HA ALA 48 -0.365 3.084 -5.689 382 1HB ALA 48 1HB ALA 48 1.930 1.822 -4.294 383 2HB ALA 48 2HB ALA 48 0.290 1.324 -3.897 384 3HB ALA 48 3HB ALA 48 0.764 3.002 -3.695 385 H LYS 49 H LYS 49 2.547 1.311 -6.612 386 HA LYS 49 HA LYS 49 4.166 3.603 -7.095 387 1HB LYS 49 2HB LYS 49 4.274 0.759 -8.136 388 2HB LYS 49 1HB LYS 49 5.462 1.979 -8.594 389 1HG LYS 49 2HG LYS 49 6.089 2.317 -6.260 390 2HG LYS 49 1HG LYS 49 4.836 1.207 -5.721 391 1HD LYS 49 2HD LYS 49 5.983 -0.587 -7.124 392 2HD LYS 49 1HD LYS 49 7.317 0.549 -7.329 393 1HE LYS 49 2HE LYS 49 7.372 0.722 -4.770 394 2HE LYS 49 1HE LYS 49 6.302 -0.681 -4.755 395 1HZ LYS 49 1HZ LYS 49 8.583 -1.380 -4.579 396 2HZ LYS 49 2HZ LYS 49 8.995 -0.541 -5.997 397 3HZ LYS 49 3HZ LYS 49 7.955 -1.882 -6.072 398 H LYS 50 H LYS 50 1.798 1.776 -8.959 399 HA LYS 50 HA LYS 50 2.250 3.159 -11.442 400 1HB LYS 50 2HB LYS 50 0.093 1.338 -10.383 401 2HB LYS 50 1HB LYS 50 -0.153 2.226 -11.888 402 1HG LYS 50 2HG LYS 50 1.983 1.267 -12.757 403 2HG LYS 50 1HG LYS 50 2.129 0.318 -11.281 404 1HD LYS 50 2HD LYS 50 -0.505 -0.121 -12.280 405 2HD LYS 50 1HD LYS 50 0.592 -0.266 -13.651 406 1HE LYS 50 2HE LYS 50 0.627 -2.439 -12.804 407 2HE LYS 50 1HE LYS 50 2.022 -1.733 -11.990 408 1HZ LYS 50 1HZ LYS 50 0.383 -1.130 -10.168 409 2HZ LYS 50 2HZ LYS 50 0.810 -2.767 -10.309 410 3HZ LYS 50 3HZ LYS 50 -0.685 -2.221 -10.906 411 H LEU 51 H LEU 51 0.306 3.603 -8.584 412 HA LEU 51 HA LEU 51 -1.417 5.671 -9.516 413 1HB LEU 51 2HB LEU 51 -0.668 4.457 -6.936 414 2HB LEU 51 1HB LEU 51 -1.209 6.106 -6.860 415 HG LEU 51 HG LEU 51 -3.015 4.446 -6.525 416 1HD1 LEU 51 1HD1 LEU 51 -3.382 6.768 -7.350 417 2HD1 LEU 51 2HD1 LEU 51 -4.619 5.622 -7.890 418 3HD1 LEU 51 3HD1 LEU 51 -3.356 6.140 -9.005 419 1HD2 LEU 51 1HD2 LEU 51 -3.809 3.477 -8.880 420 2HD2 LEU 51 2HD2 LEU 51 -2.644 2.602 -7.881 421 3HD2 LEU 51 3HD2 LEU 51 -2.085 3.577 -9.240 422 H ASN 52 H ASN 52 1.641 5.526 -7.795 423 HA ASN 52 HA ASN 52 1.981 8.263 -7.291 424 1HB ASN 52 2HB ASN 52 3.547 7.133 -6.094 425 2HB ASN 52 1HB ASN 52 3.545 5.789 -7.219 426 1HD2 ASN 52 1HD2 ASN 52 5.968 5.864 -6.681 427 2HD2 ASN 52 2HD2 ASN 52 6.951 6.896 -7.601 428 H ASP 53 H ASP 53 3.048 6.174 -9.888 429 HA ASP 53 HA ASP 53 4.277 8.178 -11.411 430 1HB ASP 53 2HB ASP 53 3.180 5.476 -12.198 431 2HB ASP 53 1HB ASP 53 4.227 6.464 -13.214 432 H ALA 54 H ALA 54 1.052 6.816 -11.279 433 HA ALA 54 HA ALA 54 0.047 8.009 -13.695 434 1HB ALA 54 1HB ALA 54 -1.323 6.899 -11.265 435 2HB ALA 54 2HB ALA 54 -0.962 6.029 -12.762 436 3HB ALA 54 3HB ALA 54 -2.147 7.334 -12.760 437 H GLN 55 H GLN 55 -0.221 8.891 -10.266 438 HA GLN 55 HA GLN 55 -1.995 11.102 -10.833 439 1HB GLN 55 2HB GLN 55 -0.593 10.156 -8.336 440 2HB GLN 55 1HB GLN 55 -1.642 11.569 -8.382 441 1HG GLN 55 2HG GLN 55 -3.503 10.153 -9.195 442 2HG GLN 55 1HG GLN 55 -2.452 8.740 -9.112 443 1HE2 GLN 55 1HE2 GLN 55 -1.413 10.580 -6.571 444 2HE2 GLN 55 2HE2 GLN 55 -2.413 9.940 -5.352 445 H ALA 56 H ALA 56 1.292 10.685 -9.644 446 HA ALA 56 HA ALA 56 2.981 12.260 -9.279 447 1HB ALA 56 1HB ALA 56 3.112 11.750 -11.713 448 2HB ALA 56 2HB ALA 56 3.665 13.381 -11.330 449 3HB ALA 56 3HB ALA 56 2.066 13.133 -12.033 450 HA PRO 57 HA PRO 57 -0.564 15.177 -7.922 451 1HB PRO 57 2HB PRO 57 1.087 15.644 -5.592 452 2HB PRO 57 1HB PRO 57 -0.482 14.827 -5.697 453 1HG PRO 57 2HG PRO 57 2.223 13.696 -5.655 454 2HG PRO 57 1HG PRO 57 0.678 12.961 -5.196 455 1HD PRO 57 2HD PRO 57 1.958 12.222 -7.443 456 2HD PRO 57 1HD PRO 57 0.190 12.303 -7.389 457 H LYS 58 H LYS 58 -0.274 16.831 -9.303 458 HA LYS 58 HA LYS 58 0.506 18.761 -10.260 459 1HB LYS 58 2HB LYS 58 1.403 19.241 -7.400 460 2HB LYS 58 1HB LYS 58 1.259 20.483 -8.646 461 1HG LYS 58 2HG LYS 58 -1.150 19.922 -8.900 462 2HG LYS 58 1HG LYS 58 -0.995 18.737 -7.603 463 1HD LYS 58 2HD LYS 58 -0.222 20.592 -6.089 464 2HD LYS 58 1HD LYS 58 -0.590 21.735 -7.382 465 1HE LYS 58 2HE LYS 58 -2.923 21.135 -7.356 466 2HE LYS 58 1HE LYS 58 -2.618 19.781 -6.267 467 1HZ LYS 58 1HZ LYS 58 -3.500 21.711 -5.093 468 2HZ LYS 58 2HZ LYS 58 -2.179 22.647 -5.612 469 3HZ LYS 58 3HZ LYS 58 -1.933 21.335 -4.563 Start of MODEL 40 1 1H VAL 1 1HT VAL 1 -6.557 -15.219 15.410 2 2H VAL 1 2HT VAL 1 -7.389 -14.872 16.850 3 3H VAL 1 3HT VAL 1 -5.693 -14.960 16.847 4 HA VAL 1 HA VAL 1 -7.269 -12.957 15.329 5 HB VAL 1 HB VAL 1 -6.361 -11.362 17.076 6 1HG1 VAL 1 1HG1 VAL 1 -8.708 -12.203 17.086 7 2HG1 VAL 1 2HG1 VAL 1 -8.103 -11.877 18.710 8 3HG1 VAL 1 3HG1 VAL 1 -8.204 -13.537 18.124 9 1HG2 VAL 1 1HG2 VAL 1 -5.627 -12.295 19.221 10 2HG2 VAL 1 2HG2 VAL 1 -4.578 -12.891 17.938 11 3HG2 VAL 1 3HG2 VAL 1 -5.830 -13.937 18.609 12 H ASP 2 H ASP 2 -4.283 -14.550 16.072 13 HA ASP 2 HA ASP 2 -2.532 -12.544 14.990 14 1HB ASP 2 2HB ASP 2 -1.761 -14.210 16.647 15 2HB ASP 2 1HB ASP 2 -2.031 -15.494 15.470 16 H ASN 3 H ASN 3 -2.124 -12.135 12.940 17 HA ASN 3 HA ASN 3 -2.474 -14.242 10.908 18 1HB ASN 3 2HB ASN 3 -4.377 -12.334 11.197 19 2HB ASN 3 1HB ASN 3 -3.266 -11.487 10.123 20 1HD2 ASN 3 1HD2 ASN 3 -6.020 -12.834 9.659 21 2HD2 ASN 3 2HD2 ASN 3 -5.755 -13.825 8.307 22 H LYS 4 H LYS 4 -1.345 -13.728 8.878 23 HA LYS 4 HA LYS 4 1.222 -12.509 9.442 24 1HB LYS 4 2HB LYS 4 0.319 -13.773 6.856 25 2HB LYS 4 1HB LYS 4 1.975 -13.472 7.371 26 1HG LYS 4 2HG LYS 4 0.033 -15.384 8.716 27 2HG LYS 4 1HG LYS 4 1.374 -15.848 7.678 28 1HD LYS 4 2HD LYS 4 2.679 -15.919 9.516 29 2HD LYS 4 1HD LYS 4 2.544 -14.167 9.608 30 1HE LYS 4 2HE LYS 4 0.143 -15.282 10.719 31 2HE LYS 4 1HE LYS 4 1.514 -16.126 11.434 32 1HZ LYS 4 1HZ LYS 4 1.028 -14.187 12.718 33 2HZ LYS 4 2HZ LYS 4 1.090 -13.189 11.343 34 3HZ LYS 4 3HZ LYS 4 2.502 -13.937 11.916 35 H PHE 5 H PHE 5 -1.564 -11.219 8.713 36 HA PHE 5 HA PHE 5 -1.372 -9.657 6.438 37 1HB PHE 5 2HB PHE 5 -2.616 -9.228 9.137 38 2HB PHE 5 1HB PHE 5 -2.630 -7.956 7.928 39 HD1 PHE 5 1HD PHE 5 -4.899 -7.822 7.388 40 HD2 PHE 5 2HD PHE 5 -2.910 -11.643 7.330 41 HE1 PHE 5 1HE PHE 5 -6.893 -8.828 6.333 42 HE2 PHE 5 2HE PHE 5 -4.925 -12.648 6.255 43 HZ PHE 5 HZ PHE 5 -6.906 -11.223 5.759 44 H ASN 6 H ASN 6 -0.501 -8.685 9.757 45 HA ASN 6 HA ASN 6 0.368 -6.138 9.209 46 1HB ASN 6 2HB ASN 6 0.045 -7.149 11.453 47 2HB ASN 6 1HB ASN 6 1.586 -7.974 11.249 48 1HD2 ASN 6 1HD2 ASN 6 0.157 -4.676 11.310 49 2HD2 ASN 6 2HD2 ASN 6 1.572 -3.912 11.849 50 H LYS 7 H LYS 7 2.422 -9.079 9.261 51 HA LYS 7 HA LYS 7 4.832 -7.773 8.704 52 1HB LYS 7 2HB LYS 7 4.147 -10.302 9.244 53 2HB LYS 7 1HB LYS 7 4.421 -10.445 7.515 54 1HG LYS 7 2HG LYS 7 6.387 -9.443 9.597 55 2HG LYS 7 1HG LYS 7 6.491 -10.944 8.692 56 1HD LYS 7 2HD LYS 7 7.822 -9.794 7.280 57 2HD LYS 7 1HD LYS 7 6.333 -9.092 6.670 58 1HE LYS 7 2HE LYS 7 6.624 -7.102 7.876 59 2HE LYS 7 1HE LYS 7 7.666 -7.864 9.072 60 1HZ LYS 7 1HZ LYS 7 9.461 -7.460 7.852 61 2HZ LYS 7 2HZ LYS 7 8.495 -6.406 6.934 62 3HZ LYS 7 3HZ LYS 7 8.736 -8.007 6.420 63 H GLU 8 H GLU 8 2.360 -9.150 6.567 64 HA GLU 8 HA GLU 8 3.728 -8.554 4.124 65 1HB GLU 8 2HB GLU 8 1.919 -10.258 4.411 66 2HB GLU 8 1HB GLU 8 0.763 -8.953 4.656 67 1HG GLU 8 2HG GLU 8 0.754 -8.354 2.459 68 2HG GLU 8 1HG GLU 8 2.450 -8.760 2.216 69 H ARG 9 H ARG 9 1.492 -6.878 6.210 70 HA ARG 9 HA ARG 9 1.008 -4.686 4.479 71 1HB ARG 9 2HB ARG 9 0.400 -5.205 7.376 72 2HB ARG 9 1HB ARG 9 0.029 -3.667 6.601 73 1HG ARG 9 2HG ARG 9 -1.287 -4.854 4.889 74 2HG ARG 9 1HG ARG 9 -0.959 -6.385 5.668 75 1HD ARG 9 2HD ARG 9 -2.508 -4.049 6.809 76 2HD ARG 9 1HD ARG 9 -3.147 -5.628 6.353 77 HE ARG 9 HE ARG 9 -1.547 -6.478 8.191 78 1HH1 ARG 9 1HH1 ARG 9 -4.225 -5.492 9.172 79 2HH1 ARG 9 2HH1 ARG 9 -3.767 -4.426 10.458 80 1HH2 ARG 9 1HH2 ARG 9 -0.465 -4.192 9.435 81 2HH2 ARG 9 2HH2 ARG 9 -1.637 -3.690 10.607 82 H VAL 10 H VAL 10 3.357 -5.322 7.041 83 HA VAL 10 HA VAL 10 4.170 -2.647 7.488 84 HB VAL 10 HB VAL 10 6.038 -5.022 7.594 85 1HG1 VAL 10 1HG1 VAL 10 7.404 -3.676 8.955 86 2HG1 VAL 10 2HG1 VAL 10 6.085 -2.580 9.365 87 3HG1 VAL 10 3HG1 VAL 10 6.805 -2.526 7.752 88 1HG2 VAL 10 1HG2 VAL 10 3.751 -4.413 9.332 89 2HG2 VAL 10 2HG2 VAL 10 5.271 -4.566 10.207 90 3HG2 VAL 10 3HG2 VAL 10 4.710 -5.892 9.188 91 H ILE 11 H ILE 11 5.351 -5.235 5.528 92 HA ILE 11 HA ILE 11 7.454 -3.944 4.250 93 HB ILE 11 HB ILE 11 5.639 -6.192 3.349 94 1HG1 ILE 11 2HG1 ILE 11 8.387 -6.364 4.626 95 2HG1 ILE 11 1HG1 ILE 11 6.897 -6.427 5.572 96 1HG2 ILE 11 1HG2 ILE 11 8.434 -5.518 2.407 97 2HG2 ILE 11 2HG2 ILE 11 6.964 -5.113 1.514 98 3HG2 ILE 11 3HG2 ILE 11 7.386 -6.812 1.815 99 1HD1 ILE 11 1HD1 ILE 11 6.182 -8.436 4.490 100 2HD1 ILE 11 2HD1 ILE 11 7.885 -8.689 4.866 101 3HD1 ILE 11 3HD1 ILE 11 7.397 -8.269 3.218 102 H ALA 12 H ALA 12 4.110 -4.487 3.326 103 HA ALA 12 HA ALA 12 4.190 -3.084 0.859 104 1HB ALA 12 1HB ALA 12 1.653 -3.181 1.280 105 2HB ALA 12 2HB ALA 12 2.095 -4.153 2.700 106 3HB ALA 12 3HB ALA 12 2.552 -4.685 1.072 107 H ILE 13 H ILE 13 2.810 -2.163 4.061 108 HA ILE 13 HA ILE 13 1.876 0.348 3.249 109 HB ILE 13 HB ILE 13 1.339 -0.829 5.435 110 1HG1 ILE 13 2HG1 ILE 13 1.926 2.018 4.982 111 2HG1 ILE 13 1HG1 ILE 13 0.459 1.264 5.576 112 1HG2 ILE 13 1HG2 ILE 13 3.854 -1.217 5.900 113 2HG2 ILE 13 2HG2 ILE 13 2.850 -0.758 7.260 114 3HG2 ILE 13 3HG2 ILE 13 3.884 0.437 6.477 115 1HD1 ILE 13 1HD1 ILE 13 1.334 2.608 7.363 116 2HD1 ILE 13 2HD1 ILE 13 2.954 1.941 7.136 117 3HD1 ILE 13 3HD1 ILE 13 1.662 0.923 7.778 118 H GLY 14 H GLY 14 4.966 -0.800 4.353 119 1HA GLY 14 2HA GLY 14 6.253 1.662 4.661 120 2HA GLY 14 1HA GLY 14 7.050 0.102 4.382 121 H GLU 15 H GLU 15 5.713 -0.575 1.924 122 HA GLU 15 HA GLU 15 7.318 0.849 0.040 123 1HB GLU 15 2HB GLU 15 4.975 -1.036 -0.345 124 2HB GLU 15 1HB GLU 15 6.038 -0.469 -1.626 125 1HG GLU 15 2HG GLU 15 7.622 -1.533 0.547 126 2HG GLU 15 1HG GLU 15 6.409 -2.717 0.052 127 H ILE 16 H ILE 16 3.888 0.756 0.799 128 HA ILE 16 HA ILE 16 2.957 2.476 -1.204 129 HB ILE 16 HB ILE 16 1.701 1.965 1.489 130 1HG1 ILE 16 2HG1 ILE 16 2.515 0.032 -0.415 131 2HG1 ILE 16 1HG1 ILE 16 1.551 -0.210 1.023 132 1HG2 ILE 16 1HG2 ILE 16 0.754 3.678 -0.229 133 2HG2 ILE 16 2HG2 ILE 16 -0.315 2.538 0.578 134 3HG2 ILE 16 3HG2 ILE 16 0.190 2.247 -1.093 135 1HD1 ILE 16 1HD1 ILE 16 0.736 -0.992 -1.330 136 2HD1 ILE 16 2HD1 ILE 16 0.159 0.679 -1.479 137 3HD1 ILE 16 3HD1 ILE 16 -0.401 -0.351 -0.153 138 H MET 17 H MET 17 3.735 2.995 2.192 139 HA MET 17 HA MET 17 3.002 5.731 2.325 140 1HB MET 17 2HB MET 17 4.761 3.979 4.065 141 2HB MET 17 1HB MET 17 4.360 5.658 4.466 142 1HG MET 17 2HG MET 17 2.252 3.565 3.872 143 2HG MET 17 1HG MET 17 2.842 3.877 5.501 144 1HE MET 17 1HE MET 17 -0.088 4.181 3.673 145 2HE MET 17 2HE MET 17 -0.866 5.329 4.763 146 3HE MET 17 3HE MET 17 0.028 3.960 5.423 147 H ARG 18 H ARG 18 5.856 4.124 1.164 148 HA ARG 18 HA ARG 18 7.749 6.219 1.476 149 1HB ARG 18 2HB ARG 18 8.386 3.886 1.026 150 2HB ARG 18 1HB ARG 18 7.610 3.970 -0.553 151 1HG ARG 18 2HG ARG 18 9.177 5.823 -1.174 152 2HG ARG 18 1HG ARG 18 10.003 5.593 0.370 153 1HD ARG 18 2HD ARG 18 10.423 3.216 -0.261 154 2HD ARG 18 1HD ARG 18 9.685 3.531 -1.830 155 HE ARG 18 HE ARG 18 12.326 4.364 -0.957 156 1HH1 ARG 18 1HH2 ARG 18 10.925 6.826 -2.021 157 2HH1 ARG 18 2HH2 ARG 18 11.340 6.774 -3.703 158 1HH2 ARG 18 1HH1 ARG 18 12.334 3.457 -3.621 159 2HH2 ARG 18 2HH1 ARG 18 12.138 4.866 -4.608 160 H LEU 19 H LEU 19 5.375 5.406 -0.926 161 HA LEU 19 HA LEU 19 6.080 6.824 -3.132 162 1HB LEU 19 2HB LEU 19 3.282 6.591 -2.039 163 2HB LEU 19 1HB LEU 19 3.758 6.768 -3.731 164 HG LEU 19 HG LEU 19 4.541 4.439 -1.950 165 1HD1 LEU 19 1HD1 LEU 19 2.999 3.096 -3.134 166 2HD1 LEU 19 2HD1 LEU 19 2.620 4.400 -4.267 167 3HD1 LEU 19 3HD1 LEU 19 2.113 4.515 -2.582 168 1HD2 LEU 19 1HD2 LEU 19 6.221 4.374 -3.459 169 2HD2 LEU 19 2HD2 LEU 19 5.343 5.353 -4.645 170 3HD2 LEU 19 3HD2 LEU 19 4.994 3.627 -4.488 171 HA PRO 20 HA PRO 20 5.967 10.995 -1.357 172 1HB PRO 20 2HB PRO 20 7.434 11.937 -3.647 173 2HB PRO 20 1HB PRO 20 8.024 11.678 -2.000 174 1HG PRO 20 2HG PRO 20 8.740 10.213 -4.239 175 2HG PRO 20 1HG PRO 20 8.995 9.732 -2.553 176 1HD PRO 20 2HD PRO 20 6.940 8.804 -4.491 177 2HD PRO 20 1HD PRO 20 7.672 7.952 -3.115 178 H ASN 21 H ASN 21 4.663 9.837 -4.353 179 HA ASN 21 HA ASN 21 3.727 12.490 -5.179 180 1HB ASN 21 2HB ASN 21 3.597 9.751 -6.381 181 2HB ASN 21 1HB ASN 21 2.514 10.988 -6.975 182 1HD2 ASN 21 1HD2 ASN 21 5.546 9.701 -7.458 183 2HD2 ASN 21 2HD2 ASN 21 6.284 11.022 -8.216 184 H LEU 22 H LEU 22 2.126 9.413 -4.521 185 HA LEU 22 HA LEU 22 -0.491 10.082 -4.520 186 1HB LEU 22 2HB LEU 22 0.955 8.316 -2.554 187 2HB LEU 22 1HB LEU 22 -0.802 8.335 -2.768 188 HG LEU 22 HG LEU 22 0.968 7.989 -5.163 189 1HD1 LEU 22 1HD1 LEU 22 1.807 6.379 -3.565 190 2HD1 LEU 22 2HD1 LEU 22 0.854 5.542 -4.785 191 3HD1 LEU 22 3HD1 LEU 22 0.174 5.842 -3.185 192 1HD2 LEU 22 1HD2 LEU 22 -1.026 7.658 -6.123 193 2HD2 LEU 22 2HD2 LEU 22 -1.814 8.010 -4.581 194 3HD2 LEU 22 3HD2 LEU 22 -1.373 6.347 -4.989 195 H ASN 23 H ASN 23 -2.052 10.569 -3.014 196 HA ASN 23 HA ASN 23 -1.225 12.510 -0.963 197 1HB ASN 23 2HB ASN 23 -3.781 12.792 -0.799 198 2HB ASN 23 1HB ASN 23 -3.019 13.349 -2.286 199 1HD2 ASN 23 1HD2 ASN 23 -3.689 12.369 -4.242 200 2HD2 ASN 23 2HD2 ASN 23 -4.771 11.064 -4.319 201 H SER 24 H SER 24 -2.165 12.243 1.205 202 HA SER 24 HA SER 24 -1.565 9.797 2.310 203 1HB SER 24 2HB SER 24 -2.896 10.474 4.262 204 2HB SER 24 1HB SER 24 -1.785 11.726 3.701 205 HG SER 24 HG SER 24 -4.577 11.521 3.195 206 H LEU 25 H LEU 25 -4.663 10.853 0.990 207 HA LEU 25 HA LEU 25 -6.233 8.751 2.033 208 1HB LEU 25 2HB LEU 25 -6.607 10.151 -0.612 209 2HB LEU 25 1HB LEU 25 -7.826 9.314 0.332 210 HG LEU 25 HG LEU 25 -7.225 11.024 2.208 211 1HD1 LEU 25 1HD1 LEU 25 -6.757 13.257 0.694 212 2HD1 LEU 25 2HD1 LEU 25 -5.744 12.079 -0.137 213 3HD1 LEU 25 3HD1 LEU 25 -5.502 12.395 1.579 214 1HD2 LEU 25 1HD2 LEU 25 -9.375 11.153 1.308 215 2HD2 LEU 25 2HD2 LEU 25 -8.767 11.441 -0.325 216 3HD2 LEU 25 3HD2 LEU 25 -8.718 12.735 0.876 217 H GLN 26 H GLN 26 -4.555 9.101 -1.084 218 HA GLN 26 HA GLN 26 -5.265 6.563 -2.057 219 1HB GLN 26 2HB GLN 26 -3.032 8.433 -2.637 220 2HB GLN 26 1HB GLN 26 -3.117 6.868 -3.410 221 1HG GLN 26 2HG GLN 26 -5.469 8.754 -3.394 222 2HG GLN 26 1HG GLN 26 -4.210 8.880 -4.630 223 1HE2 GLN 26 1HE2 GLN 26 -6.054 8.288 -6.155 224 2HE2 GLN 26 2HE2 GLN 26 -6.426 6.646 -6.363 225 H VAL 27 H VAL 27 -2.539 7.831 -0.326 226 HA VAL 27 HA VAL 27 -0.917 5.581 -0.156 227 HB VAL 27 HB VAL 27 -1.406 7.987 1.600 228 1HG1 VAL 27 1HG1 VAL 27 -0.385 6.924 3.271 229 2HG1 VAL 27 2HG1 VAL 27 1.087 7.148 2.320 230 3HG1 VAL 27 3HG1 VAL 27 0.202 5.626 2.221 231 1HG2 VAL 27 1HG2 VAL 27 1.224 7.652 0.370 232 2HG2 VAL 27 2HG2 VAL 27 0.115 9.020 0.287 233 3HG2 VAL 27 3HG2 VAL 27 -0.078 7.663 -0.818 234 H VAL 28 H VAL 28 -3.530 6.789 1.826 235 HA VAL 28 HA VAL 28 -3.488 4.607 3.676 236 HB VAL 28 HB VAL 28 -5.564 6.741 3.303 237 1HG1 VAL 28 1HG1 VAL 28 -6.218 6.005 5.605 238 2HG1 VAL 28 2HG1 VAL 28 -5.008 4.721 5.515 239 3HG1 VAL 28 3HG1 VAL 28 -6.416 4.688 4.441 240 1HG2 VAL 28 1HG2 VAL 28 -3.772 6.670 5.647 241 2HG2 VAL 28 2HG2 VAL 28 -4.208 8.035 4.614 242 3HG2 VAL 28 3HG2 VAL 28 -2.924 6.920 4.119 243 H ALA 29 H ALA 29 -5.196 5.395 0.808 244 HA ALA 29 HA ALA 29 -7.339 3.637 0.802 245 1HB ALA 29 1HB ALA 29 -7.311 3.923 -1.538 246 2HB ALA 29 2HB ALA 29 -5.554 4.122 -1.586 247 3HB ALA 29 3HB ALA 29 -6.578 5.409 -0.935 248 H PHE 30 H PHE 30 -3.975 3.291 0.054 249 HA PHE 30 HA PHE 30 -4.103 0.632 -0.824 250 1HB PHE 30 2HB PHE 30 -2.036 2.613 -0.063 251 2HB PHE 30 1HB PHE 30 -1.597 0.936 -0.292 252 HD1 PHE 30 1HD PHE 30 -2.772 -0.195 -2.411 253 HD2 PHE 30 2HD PHE 30 -1.939 3.963 -1.897 254 HE1 PHE 30 1HE PHE 30 -2.901 0.136 -4.831 255 HE2 PHE 30 2HE PHE 30 -2.145 4.317 -4.287 256 HZ PHE 30 HZ PHE 30 -2.617 2.395 -5.812 257 H ILE 31 H ILE 31 -3.363 2.302 2.257 258 HA ILE 31 HA ILE 31 -2.495 0.015 3.673 259 HB ILE 31 HB ILE 31 -4.325 2.172 4.789 260 1HG1 ILE 31 2HG1 ILE 31 -1.305 2.045 4.936 261 2HG1 ILE 31 1HG1 ILE 31 -2.190 3.080 3.820 262 1HG2 ILE 31 1HG2 ILE 31 -2.530 0.096 6.067 263 2HG2 ILE 31 2HG2 ILE 31 -4.271 0.297 6.282 264 3HG2 ILE 31 3HG2 ILE 31 -3.154 1.489 6.948 265 1HD1 ILE 31 1HD1 ILE 31 -1.572 3.611 6.549 266 2HD1 ILE 31 2HD1 ILE 31 -3.317 3.383 6.450 267 3HD1 ILE 31 3HD1 ILE 31 -2.534 4.601 5.456 268 H ASN 32 H ASN 32 -5.621 1.339 2.853 269 HA ASN 32 HA ASN 32 -7.236 -0.499 4.288 270 1HB ASN 32 2HB ASN 32 -7.613 1.500 2.100 271 2HB ASN 32 1HB ASN 32 -8.909 0.346 2.407 272 1HD2 ASN 32 1HD2 ASN 32 -6.663 2.035 4.672 273 2HD2 ASN 32 2HD2 ASN 32 -7.898 2.742 5.597 274 H SER 33 H SER 33 -6.045 -0.500 0.934 275 HA SER 33 HA SER 33 -7.520 -2.755 0.125 276 1HB SER 33 2HB SER 33 -4.848 -1.873 -0.945 277 2HB SER 33 1HB SER 33 -6.100 -2.791 -1.775 278 HG SER 33 HG SER 33 -6.366 -0.146 -0.777 279 H LEU 34 H LEU 34 -4.370 -2.390 1.679 280 HA LEU 34 HA LEU 34 -3.388 -5.017 1.362 281 1HB LEU 34 2HB LEU 34 -2.962 -3.692 4.022 282 2HB LEU 34 1HB LEU 34 -1.856 -4.663 3.061 283 HG LEU 34 HG LEU 34 -2.662 -1.807 2.601 284 1HD1 LEU 34 1HD1 LEU 34 -0.930 -1.823 4.168 285 2HD1 LEU 34 2HD1 LEU 34 -0.077 -1.635 2.634 286 3HD1 LEU 34 3HD1 LEU 34 -0.144 -3.212 3.417 287 1HD2 LEU 34 1HD2 LEU 34 -2.499 -2.527 0.391 288 2HD2 LEU 34 2HD2 LEU 34 -1.357 -3.801 0.801 289 3HD2 LEU 34 3HD2 LEU 34 -0.816 -2.127 0.741 290 H ARG 35 H ARG 35 -5.442 -3.697 3.947 291 HA ARG 35 HA ARG 35 -5.643 -6.201 5.326 292 1HB ARG 35 2HB ARG 35 -6.864 -5.059 6.903 293 2HB ARG 35 1HB ARG 35 -6.044 -3.713 6.126 294 1HG ARG 35 2HG ARG 35 -8.102 -3.541 4.605 295 2HG ARG 35 1HG ARG 35 -8.899 -4.610 5.750 296 1HD ARG 35 2HD ARG 35 -8.292 -2.991 7.574 297 2HD ARG 35 1HD ARG 35 -7.685 -1.892 6.334 298 HE ARG 35 HE ARG 35 -10.506 -2.650 6.758 299 1HH1 ARG 35 1HH2 ARG 35 -9.717 -2.140 3.846 300 2HH1 ARG 35 2HH2 ARG 35 -10.124 -0.465 3.678 301 1HH2 ARG 35 1HH1 ARG 35 -10.332 0.095 7.088 302 2HH2 ARG 35 2HH1 ARG 35 -10.468 0.801 5.512 303 H ASP 36 H ASP 36 -7.460 -4.565 2.852 304 HA ASP 36 HA ASP 36 -9.726 -6.302 2.842 305 1HB ASP 36 2HB ASP 36 -8.560 -4.462 0.721 306 2HB ASP 36 1HB ASP 36 -10.117 -5.276 0.586 307 H ASP 37 H ASP 37 -6.484 -6.441 1.752 308 HA ASP 37 HA ASP 37 -6.655 -9.176 0.955 309 1HB ASP 37 2HB ASP 37 -7.654 -7.859 -1.030 310 2HB ASP 37 1HB ASP 37 -6.008 -7.318 -1.325 311 HA PRO 38 HA PRO 38 -2.466 -7.768 2.220 312 1HB PRO 38 2HB PRO 38 -2.037 -10.381 3.359 313 2HB PRO 38 1HB PRO 38 -2.234 -8.835 4.193 314 1HG PRO 38 2HG PRO 38 -4.031 -10.944 4.196 315 2HG PRO 38 1HG PRO 38 -4.353 -9.284 4.706 316 1HD PRO 38 2HD PRO 38 -5.180 -10.667 2.226 317 2HD PRO 38 1HD PRO 38 -5.904 -9.259 3.036 318 H SER 39 H SER 39 -3.465 -10.813 0.740 319 HA SER 39 HA SER 39 -0.966 -11.694 -0.216 320 1HB SER 39 2HB SER 39 -3.677 -12.081 -1.519 321 2HB SER 39 1HB SER 39 -2.240 -13.066 -1.770 322 HG SER 39 HG SER 39 -2.436 -13.205 0.713 323 H GLN 40 H GLN 40 -3.270 -9.330 -1.282 324 HA GLN 40 HA GLN 40 -1.776 -8.811 -3.734 325 1HB GLN 40 2HB GLN 40 -4.433 -7.777 -2.737 326 2HB GLN 40 1HB GLN 40 -3.679 -7.255 -4.239 327 1HG GLN 40 2HG GLN 40 -4.155 -10.179 -3.658 328 2HG GLN 40 1HG GLN 40 -5.405 -9.172 -4.382 329 1HE2 GLN 40 1HE2 GLN 40 -5.156 -8.565 -6.602 330 2HE2 GLN 40 2HE2 GLN 40 -3.871 -9.113 -7.566 331 H SER 41 H SER 41 -1.158 -8.025 -0.721 332 HA SER 41 HA SER 41 -1.194 -5.227 -0.521 333 1HB SER 41 2HB SER 41 0.534 -5.456 1.169 334 2HB SER 41 1HB SER 41 -0.523 -6.844 1.342 335 HG SER 41 HG SER 41 0.980 -8.119 0.435 336 H ALA 42 H ALA 42 1.009 -7.467 -2.021 337 HA ALA 42 HA ALA 42 2.982 -5.692 -2.878 338 1HB ALA 42 1HB ALA 42 3.279 -8.130 -2.757 339 2HB ALA 42 2HB ALA 42 3.656 -7.506 -4.364 340 3HB ALA 42 3HB ALA 42 2.115 -8.314 -4.069 341 H ASN 43 H ASN 43 -0.022 -6.825 -4.343 342 HA ASN 43 HA ASN 43 0.368 -5.686 -6.930 343 1HB ASN 43 2HB ASN 43 -1.219 -7.534 -6.227 344 2HB ASN 43 1HB ASN 43 -2.211 -6.269 -5.504 345 1HD2 ASN 43 1HD2 ASN 43 -3.940 -6.748 -7.034 346 2HD2 ASN 43 2HD2 ASN 43 -3.841 -6.244 -8.653 347 H LEU 44 H LEU 44 -1.047 -4.776 -3.934 348 HA LEU 44 HA LEU 44 -2.342 -2.396 -4.798 349 1HB LEU 44 2HB LEU 44 -1.551 -3.517 -2.133 350 2HB LEU 44 1HB LEU 44 -2.509 -2.056 -2.310 351 HG LEU 44 HG LEU 44 -3.242 -4.604 -3.710 352 1HD1 LEU 44 1HD1 LEU 44 -3.798 -3.796 -0.892 353 2HD1 LEU 44 2HD1 LEU 44 -3.494 -5.395 -1.563 354 3HD1 LEU 44 3HD1 LEU 44 -5.059 -4.628 -1.801 355 1HD2 LEU 44 1HD2 LEU 44 -5.468 -3.412 -3.666 356 2HD2 LEU 44 2HD2 LEU 44 -4.198 -2.690 -4.666 357 3HD2 LEU 44 3HD2 LEU 44 -4.579 -2.002 -3.073 358 H LEU 45 H LEU 45 0.612 -3.136 -3.145 359 HA LEU 45 HA LEU 45 1.507 -0.421 -3.024 360 1HB LEU 45 2HB LEU 45 3.117 -1.311 -1.739 361 2HB LEU 45 1HB LEU 45 2.190 -2.786 -1.837 362 HG LEU 45 HG LEU 45 3.517 -3.264 -3.968 363 1HD1 LEU 45 1HD1 LEU 45 5.807 -1.807 -3.065 364 2HD1 LEU 45 2HD1 LEU 45 4.447 -0.675 -3.225 365 3HD1 LEU 45 3HD1 LEU 45 4.960 -1.664 -4.603 366 1HD2 LEU 45 1HD2 LEU 45 5.269 -4.298 -2.620 367 2HD2 LEU 45 2HD2 LEU 45 3.746 -4.373 -1.722 368 3HD2 LEU 45 3HD2 LEU 45 4.959 -3.162 -1.306 369 H ALA 46 H ALA 46 1.619 -3.051 -5.250 370 HA ALA 46 HA ALA 46 3.486 -1.942 -7.128 371 1HB ALA 46 1HB ALA 46 2.864 -4.305 -7.272 372 2HB ALA 46 2HB ALA 46 2.371 -3.483 -8.747 373 3HB ALA 46 3HB ALA 46 1.176 -3.861 -7.513 374 H GLU 47 H GLU 47 -0.017 -1.908 -6.702 375 HA GLU 47 HA GLU 47 -0.755 -0.343 -8.927 376 1HB GLU 47 2HB GLU 47 -1.856 -1.177 -6.292 377 2HB GLU 47 1HB GLU 47 -2.633 0.196 -7.080 378 1HG GLU 47 2HG GLU 47 -3.267 -1.102 -8.947 379 2HG GLU 47 1HG GLU 47 -2.119 -2.381 -8.556 380 H ALA 48 H ALA 48 0.095 0.298 -5.619 381 HA ALA 48 HA ALA 48 -0.307 3.044 -5.493 382 1HB ALA 48 1HB ALA 48 1.917 1.704 -4.033 383 2HB ALA 48 2HB ALA 48 0.249 1.307 -3.648 384 3HB ALA 48 3HB ALA 48 0.820 2.962 -3.476 385 H LYS 49 H LYS 49 2.553 1.148 -6.359 386 HA LYS 49 HA LYS 49 4.238 3.393 -6.846 387 1HB LYS 49 2HB LYS 49 4.326 0.521 -7.799 388 2HB LYS 49 1HB LYS 49 5.545 1.711 -8.261 389 1HG LYS 49 2HG LYS 49 6.016 2.156 -5.873 390 2HG LYS 49 1HG LYS 49 4.816 0.952 -5.412 391 1HD LYS 49 2HD LYS 49 6.122 -0.792 -6.593 392 2HD LYS 49 1HD LYS 49 7.332 0.419 -7.025 393 1HE LYS 49 2HE LYS 49 8.130 0.601 -4.858 394 2HE LYS 49 1HE LYS 49 6.584 0.155 -4.139 395 1HZ LYS 49 1HZ LYS 49 8.484 -1.666 -5.517 396 2HZ LYS 49 2HZ LYS 49 6.949 -2.122 -4.951 397 3HZ LYS 49 3HZ LYS 49 8.148 -1.626 -3.854 398 H LYS 50 H LYS 50 1.885 1.582 -8.725 399 HA LYS 50 HA LYS 50 2.442 2.852 -11.242 400 1HB LYS 50 2HB LYS 50 0.083 1.280 -10.169 401 2HB LYS 50 1HB LYS 50 0.120 1.948 -11.802 402 1HG LYS 50 2HG LYS 50 2.146 0.668 -12.304 403 2HG LYS 50 1HG LYS 50 2.190 0.050 -10.657 404 1HD LYS 50 2HD LYS 50 -0.220 -0.812 -11.150 405 2HD LYS 50 1HD LYS 50 0.207 -0.564 -12.843 406 1HE LYS 50 2HE LYS 50 1.171 -2.605 -12.793 407 2HE LYS 50 1HE LYS 50 2.418 -1.907 -11.759 408 1HZ LYS 50 1HZ LYS 50 -0.089 -3.244 -10.904 409 2HZ LYS 50 2HZ LYS 50 0.917 -2.375 -9.846 410 3HZ LYS 50 3HZ LYS 50 1.502 -3.764 -10.630 411 H LEU 51 H LEU 51 0.370 3.423 -8.493 412 HA LEU 51 HA LEU 51 -1.248 5.521 -9.530 413 1HB LEU 51 2HB LEU 51 -0.639 4.270 -6.935 414 2HB LEU 51 1HB LEU 51 -1.157 5.920 -6.864 415 HG LEU 51 HG LEU 51 -3.000 4.299 -6.620 416 1HD1 LEU 51 1HD1 LEU 51 -4.528 5.464 -8.135 417 2HD1 LEU 51 2HD1 LEU 51 -3.158 6.080 -9.058 418 3HD1 LEU 51 3HD1 LEU 51 -3.396 6.595 -7.380 419 1HD2 LEU 51 1HD2 LEU 51 -3.712 3.331 -8.987 420 2HD2 LEU 51 2HD2 LEU 51 -2.563 2.460 -7.963 421 3HD2 LEU 51 3HD2 LEU 51 -1.979 3.441 -9.307 422 H ASN 52 H ASN 52 1.640 5.347 -7.571 423 HA ASN 52 HA ASN 52 2.010 8.039 -6.971 424 1HB ASN 52 2HB ASN 52 3.176 6.237 -5.832 425 2HB ASN 52 1HB ASN 52 3.955 5.745 -7.330 426 1HD2 ASN 52 1HD2 ASN 52 5.640 7.212 -8.214 427 2HD2 ASN 52 2HD2 ASN 52 6.428 8.309 -7.186 428 H ASP 53 H ASP 53 3.233 6.013 -9.538 429 HA ASP 53 HA ASP 53 4.598 8.049 -10.925 430 1HB ASP 53 2HB ASP 53 3.679 5.305 -11.769 431 2HB ASP 53 1HB ASP 53 4.766 6.324 -12.713 432 H ALA 54 H ALA 54 1.413 6.567 -11.202 433 HA ALA 54 HA ALA 54 0.702 7.729 -13.718 434 1HB ALA 54 1HB ALA 54 -0.379 5.734 -12.931 435 2HB ALA 54 2HB ALA 54 -1.587 7.012 -13.062 436 3HB ALA 54 3HB ALA 54 -0.935 6.576 -11.481 437 H GLN 55 H GLN 55 -0.043 8.646 -10.363 438 HA GLN 55 HA GLN 55 -1.808 10.773 -11.221 439 1HB GLN 55 2HB GLN 55 -0.680 9.973 -8.539 440 2HB GLN 55 1HB GLN 55 -1.756 11.342 -8.774 441 1HG GLN 55 2HG GLN 55 -3.451 9.789 -9.752 442 2HG GLN 55 1HG GLN 55 -2.379 8.439 -9.364 443 1HE2 GLN 55 1HE2 GLN 55 -1.818 10.686 -6.967 444 2HE2 GLN 55 2HE2 GLN 55 -2.930 10.110 -5.812 445 H ALA 56 H ALA 56 1.266 10.472 -9.575 446 HA ALA 56 HA ALA 56 2.852 12.059 -9.011 447 1HB ALA 56 1HB ALA 56 2.326 12.915 -11.867 448 2HB ALA 56 2HB ALA 56 3.377 11.583 -11.381 449 3HB ALA 56 3HB ALA 56 3.787 13.239 -10.931 450 HA PRO 57 HA PRO 57 -0.520 15.257 -8.458 451 1HB PRO 57 2HB PRO 57 -0.489 14.781 -5.602 452 2HB PRO 57 1HB PRO 57 -1.798 14.518 -6.763 453 1HG PRO 57 2HG PRO 57 -0.431 12.531 -5.479 454 2HG PRO 57 1HG PRO 57 -1.308 12.345 -6.997 455 1HD PRO 57 2HD PRO 57 1.638 12.656 -6.567 456 2HD PRO 57 1HD PRO 57 0.773 11.662 -7.756 457 H LYS 58 H LYS 58 1.999 16.001 -8.967 458 HA LYS 58 HA LYS 58 3.510 17.182 -6.906 459 1HB LYS 58 2HB LYS 58 3.308 17.876 -9.849 460 2HB LYS 58 1HB LYS 58 4.564 18.462 -8.758 461 1HG LYS 58 2HG LYS 58 5.399 16.233 -8.382 462 2HG LYS 58 1HG LYS 58 4.012 15.510 -9.194 463 1HD LYS 58 2HD LYS 58 5.957 15.493 -10.687 464 2HD LYS 58 1HD LYS 58 4.720 16.574 -11.324 465 1HE LYS 58 2HE LYS 58 5.899 18.518 -10.557 466 2HE LYS 58 1HE LYS 58 7.017 17.541 -9.603 467 1HZ LYS 58 1HZ LYS 58 6.780 17.533 -12.564 468 2HZ LYS 58 2HZ LYS 58 7.832 16.551 -11.661 469 3HZ LYS 58 3HZ LYS 58 8.035 18.238 -11.667
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