NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13383 | 1umq | 5920 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 22 1H LEU 22 22.592 18.477 14.789 2 H2 LEU 22 3H LEU 22 21.181 18.976 15.581 3 H3 LEU 22 2H LEU 22 22.539 19.987 15.559 4 HA LEU 22 HA LEU 22 23.788 18.388 16.836 5 1HB LEU 22 2HB LEU 22 22.451 18.590 18.978 6 2HB LEU 22 1HB LEU 22 22.815 20.082 18.140 7 HG LEU 22 HG LEU 22 20.424 19.817 17.141 8 1HD1 LEU 22 3HD1 LEU 22 20.196 18.111 19.616 9 2HD1 LEU 22 2HD1 LEU 22 18.852 18.705 18.640 10 3HD1 LEU 22 1HD1 LEU 22 20.002 17.561 17.949 11 1HD2 LEU 22 1HD2 LEU 22 20.894 20.552 20.026 12 2HD2 LEU 22 3HD2 LEU 22 21.105 21.608 18.630 13 3HD2 LEU 22 2HD2 LEU 22 19.498 21.029 19.059 14 H ALA 23 H ALA 23 24.045 16.404 17.684 15 HA ALA 23 HA ALA 23 23.826 14.174 17.950 16 1HB ALA 23 3HB ALA 23 20.873 14.762 18.119 17 2HB ALA 23 2HB ALA 23 21.664 13.264 18.612 18 3HB ALA 23 1HB ALA 23 22.013 14.769 19.467 19 H LYS 24 H LYS 24 22.560 12.181 17.065 20 HA LYS 24 HA LYS 24 21.756 12.583 14.277 21 1HB LYS 24 2HB LYS 24 23.757 10.525 15.239 22 2HB LYS 24 1HB LYS 24 23.044 10.541 13.635 23 1HG LYS 24 2HG LYS 24 24.052 12.794 13.289 24 2HG LYS 24 1HG LYS 24 24.885 12.594 14.832 25 1HD LYS 24 2HD LYS 24 26.384 11.968 13.054 26 2HD LYS 24 1HD LYS 24 25.918 10.516 13.945 27 1HE LYS 24 2HE LYS 24 24.250 10.002 12.221 28 2HE LYS 24 1HE LYS 24 24.730 11.445 11.328 29 1HZ LYS 24 2HZ LYS 24 26.995 10.464 11.193 30 2HZ LYS 24 1HZ LYS 24 26.381 9.035 11.867 31 3HZ LYS 24 3HZ LYS 24 25.813 9.576 10.363 32 H GLY 25 H GLY 25 21.388 9.864 13.687 33 1HA GLY 25 1HA GLY 25 19.959 8.547 15.786 34 2HA GLY 25 2HA GLY 25 20.040 8.046 14.102 35 H GLU 26 H GLU 26 18.144 9.441 16.523 36 HA GLU 26 HA GLU 26 15.978 9.728 14.574 37 1HB GLU 26 2HB GLU 26 14.466 9.584 16.495 38 2HB GLU 26 1HB GLU 26 15.570 8.218 16.446 39 1HG GLU 26 2HG GLU 26 16.942 9.270 18.176 40 2HG GLU 26 1HG GLU 26 15.824 10.634 18.222 41 H SER 27 H SER 27 18.164 11.650 16.175 42 HA SER 27 HA SER 27 16.429 13.897 16.656 43 1HB SER 27 2HB SER 27 19.450 13.693 16.646 44 2HB SER 27 1HB SER 27 18.528 15.104 17.169 45 HG SER 27 HG SER 27 17.873 14.065 18.936 46 H LEU 28 H LEU 28 18.004 12.585 13.958 47 HA LEU 28 HA LEU 28 17.440 15.039 12.447 48 1HB LEU 28 2HB LEU 28 19.954 14.476 12.970 49 2HB LEU 28 1HB LEU 28 19.757 13.291 11.697 50 HG LEU 28 HG LEU 28 19.275 16.250 11.348 51 1HD1 LEU 28 3HD1 LEU 28 21.661 14.574 10.592 52 2HD1 LEU 28 2HD1 LEU 28 21.407 16.263 10.150 53 3HD1 LEU 28 1HD1 LEU 28 21.612 15.813 11.843 54 1HD2 LEU 28 1HD2 LEU 28 18.028 14.852 9.777 55 2HD2 LEU 28 3HD2 LEU 28 19.317 15.737 8.964 56 3HD2 LEU 28 2HD2 LEU 28 19.517 14.022 9.326 57 HA PRO 29 HA PRO 29 14.479 11.993 10.793 58 1HB PRO 29 2HB PRO 29 14.633 14.297 8.886 59 2HB PRO 29 1HB PRO 29 13.221 13.375 9.414 60 1HG PRO 29 2HG PRO 29 13.910 15.756 10.510 61 2HG PRO 29 1HG PRO 29 13.078 14.478 11.413 62 1HD PRO 29 2HD PRO 29 15.781 15.485 11.761 63 2HD PRO 29 1HD PRO 29 14.875 14.346 12.771 64 HA PRO 30 HA PRO 30 17.191 10.318 7.575 65 1HB PRO 30 2HB PRO 30 15.860 7.813 7.941 66 2HB PRO 30 1HB PRO 30 17.473 8.264 8.490 67 1HG PRO 30 2HG PRO 30 15.335 7.733 10.150 68 2HG PRO 30 1HG PRO 30 16.757 8.687 10.607 69 1HD PRO 30 2HD PRO 30 14.050 9.613 9.726 70 2HD PRO 30 1HD PRO 30 15.114 10.272 10.991 71 HA PRO 31 HA PRO 31 14.046 10.642 4.359 72 1HB PRO 31 2HB PRO 31 16.238 9.759 2.602 73 2HB PRO 31 1HB PRO 31 15.318 11.263 2.568 74 1HG PRO 31 2HG PRO 31 17.883 11.206 3.342 75 2HG PRO 31 1HG PRO 31 16.709 12.311 4.082 76 1HD PRO 31 2HD PRO 31 17.777 9.711 5.115 77 2HD PRO 31 1HD PRO 31 17.488 11.233 5.985 78 HA PRO 32 HA PRO 32 12.975 6.391 3.383 79 1HB PRO 32 2HB PRO 32 12.189 6.512 0.798 80 2HB PRO 32 1HB PRO 32 11.216 7.147 2.126 81 1HG PRO 32 2HG PRO 32 13.014 8.606 0.230 82 2HG PRO 32 1HG PRO 32 11.401 9.060 0.815 83 1HD PRO 32 2HD PRO 32 13.670 10.125 1.835 84 2HD PRO 32 1HD PRO 32 12.214 9.865 2.814 85 H GLU 33 H GLU 33 15.608 6.588 3.416 86 HA GLU 33 HA GLU 33 17.058 6.127 1.052 87 1HB GLU 33 2HB GLU 33 17.736 5.157 3.834 88 2HB GLU 33 1HB GLU 33 18.861 5.425 2.511 89 1HG GLU 33 2HG GLU 33 17.205 7.623 3.712 90 2HG GLU 33 1HG GLU 33 18.801 7.181 4.315 91 H ASN 34 H ASN 34 15.353 3.958 3.211 92 HA ASN 34 HA ASN 34 16.507 1.597 1.980 93 1HB ASN 34 2HB ASN 34 14.381 1.846 4.121 94 2HB ASN 34 1HB ASN 34 15.142 0.346 3.610 95 1HD2 ASN 34 1HD2 ASN 34 17.786 1.496 3.343 96 2HD2 ASN 34 2HD2 ASN 34 18.359 1.776 4.955 97 HA PRO 35 HA PRO 35 13.418 1.016 -1.194 98 1HB PRO 35 2HB PRO 35 13.519 -1.797 -0.911 99 2HB PRO 35 1HB PRO 35 14.405 -0.815 -2.079 100 1HG PRO 35 2HG PRO 35 15.291 -1.883 0.558 101 2HG PRO 35 1HG PRO 35 16.222 -1.650 -0.935 102 1HD PRO 35 2HD PRO 35 16.525 0.028 1.101 103 2HD PRO 35 1HD PRO 35 16.456 0.643 -0.567 104 H MET 36 H MET 36 13.331 -1.079 1.688 105 HA MET 36 HA MET 36 10.438 -1.237 1.547 106 1HB MET 36 2HB MET 36 12.420 -2.453 3.473 107 2HB MET 36 1HB MET 36 10.680 -2.678 3.587 108 1HG MET 36 2HG MET 36 10.687 -3.716 1.362 109 2HG MET 36 1HG MET 36 12.440 -3.534 1.303 110 1HE MET 36 2HE MET 36 10.991 -6.277 0.818 111 2HE MET 36 1HE MET 36 12.750 -6.150 0.833 112 3HE MET 36 3HE MET 36 11.950 -7.394 1.792 113 H SER 37 H SER 37 10.288 1.128 1.811 114 HA SER 37 HA SER 37 10.795 2.292 4.369 115 1HB SER 37 2HB SER 37 10.618 3.615 2.256 116 2HB SER 37 1HB SER 37 8.896 3.231 2.195 117 HG SER 37 HG SER 37 8.784 5.042 3.285 118 H ALA 38 H ALA 38 8.944 3.213 5.694 119 HA ALA 38 HA ALA 38 7.550 0.983 6.715 120 1HB ALA 38 2HB ALA 38 8.337 2.821 8.133 121 2HB ALA 38 1HB ALA 38 7.179 3.907 7.360 122 3HB ALA 38 3HB ALA 38 6.604 2.546 8.323 123 H ASP 39 H ASP 39 6.560 3.807 4.835 124 HA ASP 39 HA ASP 39 3.836 2.861 4.817 125 1HB ASP 39 2HB ASP 39 4.735 5.361 4.792 126 2HB ASP 39 1HB ASP 39 4.705 5.091 3.050 127 H ARG 40 H ARG 40 6.652 2.828 2.837 128 HA ARG 40 HA ARG 40 5.534 2.301 0.338 129 1HB ARG 40 2HB ARG 40 7.953 2.830 0.837 130 2HB ARG 40 1HB ARG 40 8.140 1.168 1.372 131 1HG ARG 40 2HG ARG 40 7.138 1.795 -1.379 132 2HG ARG 40 1HG ARG 40 8.863 1.801 -1.011 133 1HD ARG 40 2HD ARG 40 8.707 -0.515 -0.240 134 2HD ARG 40 1HD ARG 40 6.978 -0.520 -0.590 135 HE ARG 40 HE ARG 40 8.497 0.193 -2.884 136 1HH1 ARG 40 1HH1 ARG 40 7.581 -2.571 -0.935 137 2HH1 ARG 40 2HH1 ARG 40 7.667 -3.692 -2.260 138 1HH2 ARG 40 1HH2 ARG 40 8.645 -1.265 -4.610 139 2HH2 ARG 40 2HH2 ARG 40 8.314 -2.957 -4.351 140 H VAL 41 H VAL 41 6.499 0.134 2.960 141 HA VAL 41 HA VAL 41 5.857 -2.297 1.723 142 HB VAL 41 HB VAL 41 5.791 -1.556 4.657 143 1HG1 VAL 41 1HG1 VAL 41 5.745 -4.287 3.378 144 2HG1 VAL 41 3HG1 VAL 41 5.936 -3.968 5.101 145 3HG1 VAL 41 2HG1 VAL 41 4.433 -3.536 4.286 146 1HG2 VAL 41 2HG2 VAL 41 7.983 -1.305 3.590 147 2HG2 VAL 41 1HG2 VAL 41 7.971 -2.629 4.754 148 3HG2 VAL 41 3HG2 VAL 41 7.894 -2.973 3.027 149 H ARG 42 H ARG 42 3.865 0.058 3.427 150 HA ARG 42 HA ARG 42 1.570 -1.589 3.676 151 1HB ARG 42 2HB ARG 42 1.740 1.427 3.575 152 2HB ARG 42 1HB ARG 42 0.327 0.504 4.069 153 1HG ARG 42 2HG ARG 42 1.877 -0.508 5.854 154 2HG ARG 42 1HG ARG 42 2.939 0.856 5.483 155 1HD ARG 42 2HD ARG 42 0.082 0.980 6.442 156 2HD ARG 42 1HD ARG 42 1.526 1.438 7.343 157 HE ARG 42 HE ARG 42 1.480 2.977 5.016 158 1HH1 ARG 42 1HH1 ARG 42 -0.450 2.576 7.926 159 2HH1 ARG 42 2HH1 ARG 42 -1.033 4.214 7.913 160 1HH2 ARG 42 1HH2 ARG 42 0.715 5.119 5.005 161 2HH2 ARG 42 2HH2 ARG 42 -0.382 5.650 6.248 162 H TRP 43 H TRP 43 2.472 0.915 1.293 163 HA TRP 43 HA TRP 43 0.140 0.765 -0.271 164 1HB TRP 43 2HB TRP 43 2.441 2.259 -0.353 165 2HB TRP 43 1HB TRP 43 2.651 1.229 -1.763 166 HD1 TRP 43 HD1 TRP 43 2.157 4.420 -1.876 167 HE1 TRP 43 HE1 TRP 43 0.216 5.323 -3.286 168 HE3 TRP 43 HE3 TRP 43 -0.755 0.227 -2.041 169 HZ2 TRP 43 HZ2 TRP 43 -2.244 4.412 -4.281 170 HZ3 TRP 43 HZ3 TRP 43 -2.898 0.341 -3.224 171 HH2 TRP 43 HH2 TRP 43 -3.626 2.385 -4.305 172 H GLU 44 H GLU 44 3.124 -1.121 -0.347 173 HA GLU 44 HA GLU 44 2.568 -2.567 -2.692 174 1HB GLU 44 2HB GLU 44 4.794 -2.544 -1.693 175 2HB GLU 44 1HB GLU 44 4.183 -3.387 -0.275 176 1HG GLU 44 2HG GLU 44 3.617 -5.314 -1.711 177 2HG GLU 44 1HG GLU 44 4.332 -4.465 -3.081 178 H HIS 45 H HIS 45 1.327 -2.876 0.582 179 HA HIS 45 HA HIS 45 0.523 -5.628 0.142 180 1HB HIS 45 2HB HIS 45 1.290 -4.661 2.395 181 2HB HIS 45 1HB HIS 45 -0.270 -3.855 2.459 182 HD1 HIS 45 HD1 HIS 45 1.392 -6.861 3.443 183 HD2 HIS 45 HD2 HIS 45 -2.505 -5.883 2.300 184 HE1 HIS 45 HE1 HIS 45 -0.058 -8.714 4.319 185 HE2 HIS 45 HE2 HIS 45 -2.413 -7.987 3.825 186 H ILE 46 H ILE 46 -0.710 -2.389 0.137 187 HA ILE 46 HA ILE 46 -3.462 -2.852 0.002 188 HB ILE 46 HB ILE 46 -2.050 -0.668 -1.531 189 1HG1 ILE 46 2HG1 ILE 46 -2.741 -0.750 1.406 190 2HG1 ILE 46 1HG1 ILE 46 -1.131 -0.613 0.711 191 1HG2 ILE 46 3HG2 ILE 46 -4.455 -0.939 -1.896 192 2HG2 ILE 46 2HG2 ILE 46 -4.714 -0.772 -0.157 193 3HG2 ILE 46 1HG2 ILE 46 -4.069 0.585 -1.087 194 1HD1 ILE 46 2HD1 ILE 46 -1.970 1.535 -0.362 195 2HD1 ILE 46 1HD1 ILE 46 -3.331 1.409 0.752 196 3HD1 ILE 46 3HD1 ILE 46 -1.688 1.544 1.388 197 H GLN 47 H GLN 47 -0.951 -2.996 -2.422 198 HA GLN 47 HA GLN 47 -2.749 -3.019 -4.646 199 1HB GLN 47 2HB GLN 47 0.204 -3.538 -4.374 200 2HB GLN 47 1HB GLN 47 -0.639 -3.730 -5.905 201 1HG GLN 47 2HG GLN 47 -0.549 -1.183 -4.297 202 2HG GLN 47 1HG GLN 47 0.482 -1.549 -5.681 203 1HE2 GLN 47 1HE2 GLN 47 -1.410 0.638 -5.372 204 2HE2 GLN 47 2HE2 GLN 47 -2.567 0.465 -6.651 205 H ARG 48 H ARG 48 -0.754 -5.467 -3.025 206 HA ARG 48 HA ARG 48 -1.454 -7.596 -4.704 207 1HB ARG 48 2HB ARG 48 -0.672 -9.056 -2.836 208 2HB ARG 48 1HB ARG 48 0.470 -7.800 -3.300 209 1HG ARG 48 2HG ARG 48 0.599 -7.604 -1.052 210 2HG ARG 48 1HG ARG 48 -0.749 -6.501 -1.344 211 1HD ARG 48 2HD ARG 48 -1.386 -7.899 0.460 212 2HD ARG 48 1HD ARG 48 -2.289 -8.449 -0.955 213 HE ARG 48 HE ARG 48 0.063 -9.805 0.219 214 1HH1 ARG 48 1HH1 ARG 48 -2.803 -9.886 -1.826 215 2HH1 ARG 48 2HH1 ARG 48 -2.763 -11.606 -2.015 216 1HH2 ARG 48 1HH2 ARG 48 0.126 -12.054 -0.071 217 2HH2 ARG 48 2HH2 ARG 48 -1.106 -12.848 -1.014 218 H ILE 49 H ILE 49 -3.152 -6.220 -1.955 219 HA ILE 49 HA ILE 49 -5.045 -8.411 -1.940 220 HB ILE 49 HB ILE 49 -4.664 -7.503 0.205 221 1HG1 ILE 49 2HG1 ILE 49 -6.881 -6.786 0.928 222 2HG1 ILE 49 1HG1 ILE 49 -7.309 -6.382 -0.733 223 1HG2 ILE 49 2HG2 ILE 49 -3.755 -5.368 -0.469 224 2HG2 ILE 49 1HG2 ILE 49 -5.373 -4.813 -0.901 225 3HG2 ILE 49 3HG2 ILE 49 -4.988 -5.178 0.780 226 1HD1 ILE 49 3HD1 ILE 49 -6.537 -9.153 0.103 227 2HD1 ILE 49 2HD1 ILE 49 -8.200 -8.564 0.156 228 3HD1 ILE 49 1HD1 ILE 49 -7.334 -8.641 -1.381 229 H TYR 50 H TYR 50 -4.947 -5.035 -2.987 230 HA TYR 50 HA TYR 50 -7.626 -4.722 -3.687 231 1HB TYR 50 2HB TYR 50 -5.711 -2.992 -3.594 232 2HB TYR 50 1HB TYR 50 -5.361 -3.487 -5.244 233 HD1 TYR 50 HD1 TYR 50 -6.327 -2.286 -6.955 234 HD2 TYR 50 HD2 TYR 50 -8.251 -2.351 -3.162 235 HE1 TYR 50 HE1 TYR 50 -7.992 -0.675 -7.778 236 HE2 TYR 50 HE2 TYR 50 -9.923 -0.743 -3.974 237 HH TYR 50 HH TYR 50 -10.260 0.872 -5.668 238 H GLU 51 H GLU 51 -4.970 -6.240 -5.390 239 HA GLU 51 HA GLU 51 -6.340 -6.628 -7.852 240 1HB GLU 51 2HB GLU 51 -3.975 -8.074 -6.649 241 2HB GLU 51 1HB GLU 51 -4.540 -8.294 -8.299 242 1HG GLU 51 2HG GLU 51 -3.572 -5.685 -7.146 243 2HG GLU 51 1HG GLU 51 -2.596 -6.791 -8.110 244 H MET 52 H MET 52 -5.822 -8.711 -5.003 245 HA MET 52 HA MET 52 -7.007 -10.974 -6.284 246 1HB MET 52 2HB MET 52 -6.633 -12.176 -4.249 247 2HB MET 52 1HB MET 52 -5.230 -11.167 -4.556 248 1HG MET 52 2HG MET 52 -6.030 -9.558 -2.898 249 2HG MET 52 1HG MET 52 -7.437 -10.572 -2.596 250 1HE MET 52 3HE MET 52 -7.241 -13.081 -1.642 251 2HE MET 52 2HE MET 52 -6.005 -13.497 -2.828 252 3HE MET 52 1HE MET 52 -5.724 -13.809 -1.116 253 H CYS 53 H CYS 53 -8.233 -8.486 -4.117 254 HA CYS 53 HA CYS 53 -10.718 -9.956 -3.744 255 1HB CYS 53 2HB CYS 53 -11.384 -8.059 -2.333 256 2HB CYS 53 1HB CYS 53 -9.817 -8.701 -1.849 257 HG CYS 53 HG CYS 53 -8.332 -6.617 -2.522 258 H ASP 54 H ASP 54 -9.464 -8.274 -6.179 259 HA ASP 54 HA ASP 54 -10.192 -7.103 -7.963 260 1HB ASP 54 2HB ASP 54 -11.664 -9.142 -8.120 261 2HB ASP 54 1HB ASP 54 -12.929 -8.207 -7.328 262 H ARG 55 H ARG 55 -9.765 -5.393 -6.184 263 HA ARG 55 HA ARG 55 -10.090 -3.195 -5.791 264 1HB ARG 55 2HB ARG 55 -12.506 -3.557 -7.549 265 2HB ARG 55 1HB ARG 55 -11.942 -2.004 -6.946 266 1HG ARG 55 2HG ARG 55 -9.757 -2.447 -8.059 267 2HG ARG 55 1HG ARG 55 -10.481 -3.884 -8.784 268 1HD ARG 55 2HD ARG 55 -11.592 -1.108 -9.087 269 2HD ARG 55 1HD ARG 55 -10.470 -1.842 -10.231 270 HE ARG 55 HE ARG 55 -12.957 -3.279 -9.658 271 1HH1 ARG 55 1HH1 ARG 55 -11.033 -1.321 -11.832 272 2HH1 ARG 55 2HH1 ARG 55 -12.066 -1.589 -13.202 273 1HH2 ARG 55 1HH2 ARG 55 -14.274 -3.720 -11.490 274 2HH2 ARG 55 2HH2 ARG 55 -13.903 -2.968 -13.013 275 H ASN 56 H ASN 56 -11.509 -5.417 -4.181 276 HA ASN 56 HA ASN 56 -13.656 -3.969 -2.924 277 1HB ASN 56 2HB ASN 56 -13.591 -6.456 -2.937 278 2HB ASN 56 1HB ASN 56 -12.159 -6.405 -1.915 279 1HD2 ASN 56 1HD2 ASN 56 -14.730 -7.636 -1.388 280 2HD2 ASN 56 2HD2 ASN 56 -15.333 -6.901 0.065 281 H VAL 57 H VAL 57 -13.063 -2.098 -2.038 282 HA VAL 57 HA VAL 57 -10.528 -1.559 -0.924 283 HB VAL 57 HB VAL 57 -13.104 -0.043 -0.489 284 1HG1 VAL 57 3HG1 VAL 57 -10.232 0.836 -0.215 285 2HG1 VAL 57 2HG1 VAL 57 -11.643 1.886 -0.082 286 3HG1 VAL 57 1HG1 VAL 57 -11.385 0.602 1.098 287 1HG2 VAL 57 3HG2 VAL 57 -12.611 -0.328 -2.864 288 2HG2 VAL 57 2HG2 VAL 57 -12.393 1.351 -2.365 289 3HG2 VAL 57 1HG2 VAL 57 -10.987 0.312 -2.609 290 H SER 58 H SER 58 -13.469 -2.828 0.446 291 HA SER 58 HA SER 58 -12.881 -2.231 3.162 292 1HB SER 58 2HB SER 58 -14.677 -4.393 2.035 293 2HB SER 58 1HB SER 58 -14.684 -3.796 3.697 294 HG SER 58 HG SER 58 -14.899 -1.760 1.930 295 H GLU 59 H GLU 59 -12.490 -5.194 1.198 296 HA GLU 59 HA GLU 59 -11.256 -6.728 3.217 297 1HB GLU 59 2HB GLU 59 -12.125 -7.675 1.068 298 2HB GLU 59 1HB GLU 59 -10.777 -6.922 0.227 299 1HG GLU 59 2HG GLU 59 -10.276 -9.236 0.563 300 2HG GLU 59 1HG GLU 59 -9.213 -8.285 1.603 301 H THR 60 H THR 60 -9.979 -4.554 0.771 302 HA THR 60 HA THR 60 -7.264 -5.058 1.140 303 HB THR 60 HB THR 60 -8.504 -2.408 0.366 304 HG1 THR 60 HG1 THR 60 -9.304 -3.999 -1.026 305 1HG2 THR 60 3HG2 THR 60 -6.077 -2.358 0.870 306 2HG2 THR 60 2HG2 THR 60 -5.833 -3.639 -0.324 307 3HG2 THR 60 1HG2 THR 60 -6.422 -2.057 -0.839 308 H ALA 61 H ALA 61 -9.263 -2.466 2.583 309 HA ALA 61 HA ALA 61 -7.221 -1.360 4.186 310 1HB ALA 61 3HB ALA 61 -10.216 -1.382 4.626 311 2HB ALA 61 2HB ALA 61 -9.063 -0.311 5.431 312 3HB ALA 61 1HB ALA 61 -9.308 -0.195 3.687 313 H ARG 62 H ARG 62 -9.451 -4.037 4.763 314 HA ARG 62 HA ARG 62 -8.867 -4.204 7.570 315 1HB ARG 62 2HB ARG 62 -11.000 -5.005 6.555 316 2HB ARG 62 1HB ARG 62 -10.101 -6.281 5.750 317 1HG ARG 62 2HG ARG 62 -11.242 -7.098 7.743 318 2HG ARG 62 1HG ARG 62 -9.489 -7.236 7.900 319 1HD ARG 62 2HD ARG 62 -10.391 -4.690 8.887 320 2HD ARG 62 1HD ARG 62 -11.276 -6.002 9.670 321 HE ARG 62 HE ARG 62 -8.645 -6.778 9.739 322 1HH1 ARG 62 1HH1 ARG 62 -10.482 -4.032 10.913 323 2HH1 ARG 62 2HH1 ARG 62 -9.414 -3.738 12.260 324 1HH2 ARG 62 1HH2 ARG 62 -7.243 -6.393 11.495 325 2HH2 ARG 62 2HH2 ARG 62 -7.575 -5.087 12.587 326 H ARG 63 H ARG 63 -7.640 -5.572 4.634 327 HA ARG 63 HA ARG 63 -5.975 -7.541 5.941 328 1HB ARG 63 2HB ARG 63 -7.073 -7.756 3.671 329 2HB ARG 63 1HB ARG 63 -5.903 -6.591 3.078 330 1HG ARG 63 2HG ARG 63 -4.118 -8.079 3.365 331 2HG ARG 63 1HG ARG 63 -5.079 -9.161 4.383 332 1HD ARG 63 2HD ARG 63 -6.500 -9.714 2.507 333 2HD ARG 63 1HD ARG 63 -5.636 -8.567 1.487 334 HE ARG 63 HE ARG 63 -3.925 -10.072 1.259 335 1HH1 ARG 63 1HH1 ARG 63 -6.220 -11.221 3.636 336 2HH1 ARG 63 2HH1 ARG 63 -5.550 -12.825 3.694 337 1HH2 ARG 63 1HH2 ARG 63 -3.060 -12.197 1.307 338 2HH2 ARG 63 2HH2 ARG 63 -3.780 -13.397 2.341 339 H LEU 64 H LEU 64 -5.803 -4.258 5.089 340 HA LEU 64 HA LEU 64 -2.892 -4.126 5.295 341 1HB LEU 64 2HB LEU 64 -5.058 -2.293 4.403 342 2HB LEU 64 1HB LEU 64 -3.637 -1.552 5.106 343 HG LEU 64 HG LEU 64 -3.574 -1.655 2.613 344 1HD1 LEU 64 3HD1 LEU 64 -1.486 -3.262 4.094 345 2HD1 LEU 64 2HD1 LEU 64 -1.288 -2.561 2.489 346 3HD1 LEU 64 1HD1 LEU 64 -1.517 -1.511 3.888 347 1HD2 LEU 64 2HD2 LEU 64 -3.511 -4.626 3.130 348 2HD2 LEU 64 1HD2 LEU 64 -4.727 -3.726 2.225 349 3HD2 LEU 64 3HD2 LEU 64 -3.084 -3.866 1.594 350 H ASN 65 H ASN 65 -5.563 -4.123 7.262 351 HA ASN 65 HA ASN 65 -6.043 -3.569 9.400 352 1HB ASN 65 2HB ASN 65 -3.768 -4.622 9.783 353 2HB ASN 65 1HB ASN 65 -3.098 -2.995 9.779 354 1HD2 ASN 65 1HD2 ASN 65 -3.086 -4.956 11.880 355 2HD2 ASN 65 2HD2 ASN 65 -3.888 -4.235 13.239 356 H MET 66 H MET 66 -7.047 -1.751 8.213 357 HA MET 66 HA MET 66 -6.370 0.770 9.443 358 1HB MET 66 2HB MET 66 -5.653 1.958 7.604 359 2HB MET 66 1HB MET 66 -4.963 0.386 7.231 360 1HG MET 66 2HG MET 66 -7.505 0.314 6.137 361 2HG MET 66 1HG MET 66 -6.899 1.932 5.782 362 1HE MET 66 1HE MET 66 -4.867 2.480 4.318 363 2HE MET 66 3HE MET 66 -3.816 1.606 5.446 364 3HE MET 66 2HE MET 66 -3.722 1.262 3.712 365 H HIS 67 H HIS 67 -7.857 2.492 8.518 366 HA HIS 67 HA HIS 67 -10.553 1.471 8.604 367 1HB HIS 67 2HB HIS 67 -9.212 3.787 9.384 368 2HB HIS 67 1HB HIS 67 -10.247 4.314 8.058 369 HD1 HIS 67 HD1 HIS 67 -10.358 2.972 11.550 370 HD2 HIS 67 HD2 HIS 67 -12.985 4.320 8.630 371 HE1 HIS 67 HE1 HIS 67 -12.581 3.226 12.701 372 HE2 HIS 67 HE2 HIS 67 -14.190 3.825 10.859 373 H ARG 68 H ARG 68 -12.143 1.907 6.944 374 HA ARG 68 HA ARG 68 -11.302 1.295 4.361 375 1HB ARG 68 2HB ARG 68 -13.646 1.130 5.456 376 2HB ARG 68 1HB ARG 68 -13.863 2.783 4.906 377 1HG ARG 68 2HG ARG 68 -13.111 0.564 3.029 378 2HG ARG 68 1HG ARG 68 -14.786 0.925 3.439 379 1HD ARG 68 2HD ARG 68 -12.844 2.911 2.267 380 2HD ARG 68 1HD ARG 68 -14.004 1.977 1.326 381 HE ARG 68 HE ARG 68 -15.194 3.502 3.459 382 1HH1 ARG 68 1HH1 ARG 68 -14.242 3.461 0.092 383 2HH1 ARG 68 2HH1 ARG 68 -15.225 4.827 -0.333 384 1HH2 ARG 68 1HH2 ARG 68 -16.542 5.281 2.874 385 2HH2 ARG 68 2HH2 ARG 68 -16.525 5.852 1.229 386 H ARG 69 H ARG 69 -11.957 4.412 5.864 387 HA ARG 69 HA ARG 69 -11.703 6.054 3.605 388 1HB ARG 69 2HB ARG 69 -10.964 6.672 6.470 389 2HB ARG 69 1HB ARG 69 -11.186 7.863 5.198 390 1HG ARG 69 2HG ARG 69 -13.304 6.015 6.270 391 2HG ARG 69 1HG ARG 69 -13.131 7.729 6.653 392 1HD ARG 69 2HD ARG 69 -13.460 8.270 4.273 393 2HD ARG 69 1HD ARG 69 -13.685 6.554 3.932 394 HE ARG 69 HE ARG 69 -15.556 6.948 5.787 395 1HH1 ARG 69 1HH1 ARG 69 -14.718 8.802 2.949 396 2HH1 ARG 69 2HH1 ARG 69 -16.311 9.464 2.732 397 1HH2 ARG 69 1HH2 ARG 69 -17.674 7.772 5.510 398 2HH2 ARG 69 2HH2 ARG 69 -18.008 8.841 4.180 399 H THR 70 H THR 70 -9.275 4.697 5.773 400 HA THR 70 HA THR 70 -7.040 6.151 4.906 401 HB THR 70 HB THR 70 -6.920 3.278 5.779 402 HG1 THR 70 HG1 THR 70 -7.431 5.638 7.290 403 1HG2 THR 70 3HG2 THR 70 -5.082 5.644 6.202 404 2HG2 THR 70 2HG2 THR 70 -4.808 4.007 6.804 405 3HG2 THR 70 1HG2 THR 70 -4.817 4.318 5.067 406 H LEU 71 H LEU 71 -8.197 2.965 3.877 407 HA LEU 71 HA LEU 71 -6.340 2.540 1.821 408 1HB LEU 71 2HB LEU 71 -8.273 1.064 2.941 409 2HB LEU 71 1HB LEU 71 -9.154 1.584 1.521 410 HG LEU 71 HG LEU 71 -8.162 -0.613 1.198 411 1HD1 LEU 71 1HD1 LEU 71 -8.420 0.809 -0.745 412 2HD1 LEU 71 3HD1 LEU 71 -6.820 1.490 -0.476 413 3HD1 LEU 71 2HD1 LEU 71 -6.993 -0.215 -0.893 414 1HD2 LEU 71 1HD2 LEU 71 -6.228 -0.159 2.756 415 2HD2 LEU 71 3HD2 LEU 71 -5.847 -1.050 1.282 416 3HD2 LEU 71 2HD2 LEU 71 -5.450 0.668 1.405 417 H GLN 72 H GLN 72 -9.537 4.050 1.824 418 HA GLN 72 HA GLN 72 -9.784 4.509 -0.933 419 1HB GLN 72 2HB GLN 72 -11.656 4.689 0.655 420 2HB GLN 72 1HB GLN 72 -10.925 6.137 1.339 421 1HG GLN 72 2HG GLN 72 -11.141 7.259 -0.823 422 2HG GLN 72 1HG GLN 72 -11.893 5.809 -1.486 423 1HE2 GLN 72 1HE2 GLN 72 -13.783 6.819 -1.983 424 2HE2 GLN 72 2HE2 GLN 72 -14.922 7.337 -0.786 425 H ARG 73 H ARG 73 -8.569 6.673 1.620 426 HA ARG 73 HA ARG 73 -8.077 8.837 -0.100 427 1HB ARG 73 2HB ARG 73 -8.161 8.925 2.408 428 2HB ARG 73 1HB ARG 73 -6.558 8.202 2.433 429 1HG ARG 73 2HG ARG 73 -6.500 10.646 2.711 430 2HG ARG 73 1HG ARG 73 -5.634 10.109 1.270 431 1HD ARG 73 2HD ARG 73 -7.021 12.098 0.833 432 2HD ARG 73 1HD ARG 73 -7.517 10.705 -0.129 433 HE ARG 73 HE ARG 73 -8.973 10.978 2.340 434 1HH1 ARG 73 1HH1 ARG 73 -8.858 11.919 -1.045 435 2HH1 ARG 73 2HH1 ARG 73 -10.551 12.312 -1.110 436 1HH2 ARG 73 1HH2 ARG 73 -11.155 11.530 2.254 437 2HH2 ARG 73 2HH2 ARG 73 -11.858 12.125 0.778 438 H ILE 74 H ILE 74 -6.075 6.113 0.866 439 HA ILE 74 HA ILE 74 -3.678 6.923 -0.347 440 HB ILE 74 HB ILE 74 -4.783 4.189 0.278 441 1HG1 ILE 74 2HG1 ILE 74 -2.542 5.718 1.597 442 2HG1 ILE 74 1HG1 ILE 74 -4.218 5.845 2.117 443 1HG2 ILE 74 2HG2 ILE 74 -3.145 4.081 -1.587 444 2HG2 ILE 74 1HG2 ILE 74 -1.941 4.822 -0.527 445 3HG2 ILE 74 3HG2 ILE 74 -2.622 3.238 -0.128 446 1HD1 ILE 74 3HD1 ILE 74 -2.617 3.301 2.058 447 2HD1 ILE 74 2HD1 ILE 74 -2.912 4.295 3.486 448 3HD1 ILE 74 1HD1 ILE 74 -4.262 3.499 2.672 449 H LEU 75 H LEU 75 -6.427 5.059 -1.605 450 HA LEU 75 HA LEU 75 -5.356 4.691 -4.226 451 1HB LEU 75 2HB LEU 75 -8.263 4.835 -3.407 452 2HB LEU 75 1HB LEU 75 -7.628 4.123 -4.873 453 HG LEU 75 HG LEU 75 -7.048 3.063 -2.112 454 1HD1 LEU 75 2HD1 LEU 75 -9.459 2.976 -2.672 455 2HD1 LEU 75 1HD1 LEU 75 -9.058 2.078 -4.138 456 3HD1 LEU 75 3HD1 LEU 75 -8.722 1.374 -2.554 457 1HD2 LEU 75 2HD2 LEU 75 -6.660 1.887 -4.866 458 2HD2 LEU 75 1HD2 LEU 75 -5.384 2.463 -3.794 459 3HD2 LEU 75 3HD2 LEU 75 -6.350 1.059 -3.342 460 H ALA 76 H ALA 76 -7.322 7.125 -2.664 461 HA ALA 76 HA ALA 76 -8.225 8.369 -5.058 462 1HB ALA 76 1HB ALA 76 -9.402 9.852 -3.635 463 2HB ALA 76 3HB ALA 76 -9.433 8.264 -2.852 464 3HB ALA 76 2HB ALA 76 -8.324 9.514 -2.281 465 H LYS 77 H LYS 77 -5.428 8.849 -3.029 466 HA LYS 77 HA LYS 77 -4.901 11.453 -4.143 467 1HB LYS 77 2HB LYS 77 -2.710 11.277 -2.957 468 2HB LYS 77 1HB LYS 77 -4.124 11.147 -1.927 469 1HG LYS 77 2HG LYS 77 -2.733 9.523 -1.087 470 2HG LYS 77 1HG LYS 77 -3.778 8.602 -2.169 471 1HD LYS 77 2HD LYS 77 -2.095 8.432 -3.807 472 2HD LYS 77 1HD LYS 77 -1.117 9.688 -3.046 473 1HE LYS 77 2HE LYS 77 -1.745 7.030 -1.778 474 2HE LYS 77 1HE LYS 77 -0.270 7.370 -2.681 475 1HZ LYS 77 2HZ LYS 77 -1.139 8.871 -0.264 476 2HZ LYS 77 1HZ LYS 77 -0.007 7.607 -0.256 477 3HZ LYS 77 3HZ LYS 77 0.330 9.041 -1.091 478 H ARG 78 H ARG 78 -4.478 8.300 -5.271 479 HA ARG 78 HA ARG 78 -2.356 9.210 -7.099 480 1HB ARG 78 2HB ARG 78 -1.800 6.807 -7.432 481 2HB ARG 78 1HB ARG 78 -1.552 7.365 -5.786 482 1HG ARG 78 2HG ARG 78 -2.545 5.347 -5.409 483 2HG ARG 78 1HG ARG 78 -3.961 6.397 -5.423 484 1HD ARG 78 2HD ARG 78 -4.493 4.498 -6.737 485 2HD ARG 78 1HD ARG 78 -4.227 5.836 -7.854 486 HE ARG 78 HE ARG 78 -2.011 3.990 -7.303 487 1HH1 ARG 78 1HH1 ARG 78 -4.418 5.240 -9.520 488 2HH1 ARG 78 2HH1 ARG 78 -3.706 4.492 -10.923 489 1HH2 ARG 78 1HH2 ARG 78 -1.083 2.991 -9.130 490 2HH2 ARG 78 2HH2 ARG 78 -1.800 3.217 -10.696 491 H SER 79 H SER 79 -5.540 8.937 -7.009 492 HA SER 79 HA SER 79 -5.740 8.666 -9.890 493 1HB SER 79 2HB SER 79 -7.229 6.870 -7.962 494 2HB SER 79 1HB SER 79 -7.755 7.133 -9.623 495 HG SER 79 HG SER 79 -5.608 6.429 -10.255 496 HA PRO 80 HA PRO 80 -8.733 11.886 -9.225 497 1HB PRO 80 2HB PRO 80 -10.172 11.776 -11.485 498 2HB PRO 80 1HB PRO 80 -8.465 12.243 -11.511 499 1HG PRO 80 2HG PRO 80 -9.704 9.575 -12.099 500 2HG PRO 80 1HG PRO 80 -8.478 10.459 -13.029 501 1HD PRO 80 2HD PRO 80 -7.860 8.453 -11.307 502 2HD PRO 80 1HD PRO 80 -6.773 9.826 -11.611 503 H ARG 81 H ARG 81 -9.372 9.193 -8.151 504 HA ARG 81 HA ARG 81 -12.297 9.126 -8.461 505 1HB ARG 81 2HB ARG 81 -11.166 7.097 -9.234 506 2HB ARG 81 1HB ARG 81 -10.363 6.937 -7.677 507 1HG ARG 81 2HG ARG 81 -12.593 6.677 -6.618 508 2HG ARG 81 1HG ARG 81 -13.310 6.680 -8.231 509 1HD ARG 81 2HD ARG 81 -12.981 4.406 -7.378 510 2HD ARG 81 1HD ARG 81 -12.024 4.706 -8.829 511 HE ARG 81 HE ARG 81 -10.629 5.174 -6.335 512 1HH1 ARG 81 1HH1 ARG 81 -11.421 2.864 -8.852 513 2HH1 ARG 81 2HH1 ARG 81 -10.068 1.832 -8.498 514 1HH2 ARG 81 1HH2 ARG 81 -8.825 3.856 -5.911 515 2HH2 ARG 81 2HH2 ARG 81 -8.577 2.407 -6.831 No H/Q in entry = 515 Start of MODEL 2 1 H1 LEU 22 2H LEU 22 24.603 -5.964 4.476 2 H2 LEU 22 1H LEU 22 23.433 -6.565 3.403 3 H3 LEU 22 3H LEU 22 25.076 -6.691 3.018 4 HA LEU 22 HA LEU 22 24.181 -4.957 1.731 5 1HB LEU 22 2HB LEU 22 23.015 -3.080 2.647 6 2HB LEU 22 1HB LEU 22 22.214 -4.544 3.181 7 HG LEU 22 HG LEU 22 24.178 -3.087 4.940 8 1HD1 LEU 22 1HD1 LEU 22 21.202 -2.655 4.729 9 2HD1 LEU 22 3HD1 LEU 22 22.253 -1.992 5.982 10 3HD1 LEU 22 2HD1 LEU 22 22.461 -1.493 4.303 11 1HD2 LEU 22 2HD2 LEU 22 21.893 -4.972 5.524 12 2HD2 LEU 22 1HD2 LEU 22 23.611 -5.367 5.595 13 3HD2 LEU 22 3HD2 LEU 22 22.928 -4.198 6.726 14 H ALA 23 H ALA 23 24.894 -2.456 1.974 15 HA ALA 23 HA ALA 23 27.696 -2.526 2.247 16 1HB ALA 23 1HB ALA 23 25.888 -0.115 2.160 17 2HB ALA 23 2HB ALA 23 26.504 -0.982 0.753 18 3HB ALA 23 3HB ALA 23 27.620 -0.136 1.826 19 H LYS 24 H LYS 24 29.074 -1.784 3.804 20 HA LYS 24 HA LYS 24 27.977 -1.651 6.495 21 1HB LYS 24 2HB LYS 24 30.844 -1.601 5.524 22 2HB LYS 24 1HB LYS 24 30.344 -1.683 7.206 23 1HG LYS 24 2HG LYS 24 29.789 -3.768 5.107 24 2HG LYS 24 1HG LYS 24 31.033 -3.862 6.357 25 1HD LYS 24 2HD LYS 24 29.157 -3.617 8.044 26 2HD LYS 24 1HD LYS 24 28.043 -3.876 6.700 27 1HE LYS 24 2HE LYS 24 28.427 -5.973 7.823 28 2HE LYS 24 1HE LYS 24 29.170 -6.026 6.225 29 1HZ LYS 24 1HZ LYS 24 30.609 -5.475 8.771 30 2HZ LYS 24 3HZ LYS 24 30.613 -6.959 7.943 31 3HZ LYS 24 2HZ LYS 24 31.315 -5.587 7.234 32 H GLY 25 H GLY 25 27.828 0.126 7.719 33 1HA GLY 25 1HA GLY 25 29.368 2.495 7.148 34 2HA GLY 25 2HA GLY 25 28.212 2.291 8.455 35 H GLU 26 H GLU 26 26.761 1.299 5.672 36 HA GLU 26 HA GLU 26 25.807 3.968 4.941 37 1HB GLU 26 2HB GLU 26 25.691 1.314 3.503 38 2HB GLU 26 1HB GLU 26 24.869 2.763 2.931 39 1HG GLU 26 2HG GLU 26 27.832 2.605 3.421 40 2HG GLU 26 1HG GLU 26 27.073 2.315 1.857 41 H SER 27 H SER 27 25.020 2.383 7.299 42 HA SER 27 HA SER 27 23.176 2.338 8.608 43 1HB SER 27 2HB SER 27 22.437 4.363 7.351 44 2HB SER 27 1HB SER 27 21.604 3.305 6.212 45 HG SER 27 HG SER 27 20.476 2.474 8.149 46 H LEU 28 H LEU 28 22.569 0.419 9.205 47 HA LEU 28 HA LEU 28 21.705 -1.603 7.345 48 1HB LEU 28 2HB LEU 28 21.859 -1.516 10.361 49 2HB LEU 28 1HB LEU 28 21.241 -2.899 9.482 50 HG LEU 28 HG LEU 28 23.502 -3.003 8.314 51 1HD1 LEU 28 2HD1 LEU 28 24.263 -1.140 10.562 52 2HD1 LEU 28 1HD1 LEU 28 25.390 -1.991 9.506 53 3HD1 LEU 28 3HD1 LEU 28 24.304 -0.774 8.838 54 1HD2 LEU 28 2HD2 LEU 28 23.343 -3.468 11.286 55 2HD2 LEU 28 1HD2 LEU 28 22.846 -4.584 10.017 56 3HD2 LEU 28 3HD2 LEU 28 24.550 -4.168 10.205 57 HA PRO 29 HA PRO 29 17.306 -1.386 6.977 58 1HB PRO 29 2HB PRO 29 17.272 -3.479 9.121 59 2HB PRO 29 1HB PRO 29 16.294 -3.365 7.651 60 1HG PRO 29 2HG PRO 29 18.521 -4.906 7.811 61 2HG PRO 29 1HG PRO 29 17.972 -4.147 6.310 62 1HD PRO 29 2HD PRO 29 20.352 -3.570 7.868 63 2HD PRO 29 1HD PRO 29 19.881 -2.946 6.276 64 HA PRO 30 HA PRO 30 16.925 1.388 10.544 65 1HB PRO 30 2HB PRO 30 14.993 2.827 8.899 66 2HB PRO 30 1HB PRO 30 16.563 3.362 9.502 67 1HG PRO 30 2HG PRO 30 16.103 2.864 6.880 68 2HG PRO 30 1HG PRO 30 17.685 2.611 7.642 69 1HD PRO 30 2HD PRO 30 15.563 0.602 6.971 70 2HD PRO 30 1HD PRO 30 17.325 0.488 6.772 71 HA PRO 31 HA PRO 31 13.134 -0.474 12.198 72 1HB PRO 31 2HB PRO 31 14.049 1.234 14.452 73 2HB PRO 31 1HB PRO 31 13.533 -0.457 14.451 74 1HG PRO 31 2HG PRO 31 16.110 0.169 14.667 75 2HG PRO 31 1HG PRO 31 15.595 -1.222 13.696 76 1HD PRO 31 2HD PRO 31 16.464 1.496 12.803 77 2HD PRO 31 1HD PRO 31 16.808 -0.091 12.082 78 HA PRO 32 HA PRO 32 11.449 4.167 12.882 79 1HB PRO 32 2HB PRO 32 13.437 5.410 11.037 80 2HB PRO 32 1HB PRO 32 12.621 6.100 12.446 81 1HG PRO 32 2HG PRO 32 15.166 5.357 12.596 82 2HG PRO 32 1HG PRO 32 14.057 5.067 13.949 83 1HD PRO 32 2HD PRO 32 15.122 3.150 11.926 84 2HD PRO 32 1HD PRO 32 14.781 2.901 13.650 85 H GLU 33 H GLU 33 9.700 3.989 11.658 86 HA GLU 33 HA GLU 33 8.308 3.385 9.983 87 1HB GLU 33 2HB GLU 33 10.566 4.468 8.293 88 2HB GLU 33 1HB GLU 33 9.049 3.894 7.611 89 1HG GLU 33 2HG GLU 33 7.872 5.584 9.019 90 2HG GLU 33 1HG GLU 33 9.453 6.226 9.468 91 H ASN 34 H ASN 34 10.336 2.571 7.472 92 HA ASN 34 HA ASN 34 11.061 -0.074 8.380 93 1HB ASN 34 2HB ASN 34 8.971 0.355 6.227 94 2HB ASN 34 1HB ASN 34 9.884 -1.139 6.386 95 1HD2 ASN 34 1HD2 ASN 34 9.482 -2.497 8.150 96 2HD2 ASN 34 2HD2 ASN 34 8.035 -2.351 9.097 97 HA PRO 35 HA PRO 35 14.385 0.494 5.422 98 1HB PRO 35 2HB PRO 35 14.246 -2.126 4.382 99 2HB PRO 35 1HB PRO 35 15.309 -1.559 5.671 100 1HG PRO 35 2HG PRO 35 12.688 -2.956 5.857 101 2HG PRO 35 1HG PRO 35 14.111 -3.085 6.908 102 1HD PRO 35 2HD PRO 35 11.978 -1.718 7.714 103 2HD PRO 35 1HD PRO 35 13.617 -1.096 8.019 104 H MET 36 H MET 36 11.342 -1.022 4.578 105 HA MET 36 HA MET 36 11.638 -0.322 1.749 106 1HB MET 36 2HB MET 36 10.855 -2.611 2.508 107 2HB MET 36 1HB MET 36 9.394 -1.840 3.102 108 1HG MET 36 2HG MET 36 8.872 -2.772 1.004 109 2HG MET 36 1HG MET 36 8.986 -1.029 0.768 110 1HE MET 36 3HE MET 36 11.830 -3.710 1.163 111 2HE MET 36 2HE MET 36 10.628 -4.518 0.158 112 3HE MET 36 1HE MET 36 12.195 -4.078 -0.524 113 H SER 37 H SER 37 11.067 1.539 4.123 114 HA SER 37 HA SER 37 9.875 3.422 4.564 115 1HB SER 37 2HB SER 37 9.885 3.968 2.198 116 2HB SER 37 1HB SER 37 8.546 2.855 1.898 117 HG SER 37 HG SER 37 8.537 5.399 3.058 118 H ALA 38 H ALA 38 8.032 3.913 5.752 119 HA ALA 38 HA ALA 38 6.427 1.668 6.508 120 1HB ALA 38 1HB ALA 38 7.053 3.427 8.120 121 2HB ALA 38 3HB ALA 38 6.066 4.580 7.217 122 3HB ALA 38 2HB ALA 38 5.307 3.206 8.018 123 H ASP 39 H ASP 39 6.108 4.422 4.410 124 HA ASP 39 HA ASP 39 3.303 4.047 3.959 125 1HB ASP 39 2HB ASP 39 4.484 6.262 3.697 126 2HB ASP 39 1HB ASP 39 5.253 5.601 2.253 127 H ARG 40 H ARG 40 6.302 3.386 2.213 128 HA ARG 40 HA ARG 40 5.057 2.346 -0.079 129 1HB ARG 40 2HB ARG 40 7.793 2.583 0.910 130 2HB ARG 40 1HB ARG 40 7.524 1.181 -0.116 131 1HG ARG 40 2HG ARG 40 6.815 4.007 -0.884 132 2HG ARG 40 1HG ARG 40 8.308 3.185 -1.346 133 1HD ARG 40 2HD ARG 40 5.493 2.373 -2.066 134 2HD ARG 40 1HD ARG 40 6.714 3.035 -3.153 135 HE ARG 40 HE ARG 40 7.994 0.889 -2.336 136 1HH1 ARG 40 1HH1 ARG 40 4.631 1.215 -3.297 137 2HH1 ARG 40 2HH1 ARG 40 4.477 -0.455 -3.751 138 1HH2 ARG 40 1HH2 ARG 40 7.787 -1.296 -2.972 139 2HH2 ARG 40 2HH2 ARG 40 6.268 -1.888 -3.577 140 H VAL 41 H VAL 41 6.356 0.746 2.828 141 HA VAL 41 HA VAL 41 5.896 -1.904 1.956 142 HB VAL 41 HB VAL 41 7.222 -1.154 4.035 143 1HG1 VAL 41 2HG1 VAL 41 4.446 -1.177 5.213 144 2HG1 VAL 41 1HG1 VAL 41 5.942 -1.195 6.152 145 3HG1 VAL 41 3HG1 VAL 41 5.560 0.190 5.131 146 1HG2 VAL 41 3HG2 VAL 41 5.300 -3.465 4.248 147 2HG2 VAL 41 2HG2 VAL 41 6.887 -3.488 3.479 148 3HG2 VAL 41 1HG2 VAL 41 6.754 -3.252 5.222 149 H ARG 42 H ARG 42 3.871 0.558 3.267 150 HA ARG 42 HA ARG 42 1.659 -1.126 3.927 151 1HB ARG 42 2HB ARG 42 2.236 1.111 4.951 152 2HB ARG 42 1HB ARG 42 1.655 1.848 3.465 153 1HG ARG 42 2HG ARG 42 -0.544 0.986 3.832 154 2HG ARG 42 1HG ARG 42 0.019 0.065 5.230 155 1HD ARG 42 2HD ARG 42 -1.139 2.158 5.852 156 2HD ARG 42 1HD ARG 42 0.527 2.074 6.423 157 HE ARG 42 HE ARG 42 0.379 3.393 3.914 158 1HH1 ARG 42 1HH1 ARG 42 -0.209 3.859 7.335 159 2HH1 ARG 42 2HH1 ARG 42 0.033 5.585 7.266 160 1HH2 ARG 42 1HH2 ARG 42 0.741 5.657 3.828 161 2HH2 ARG 42 2HH2 ARG 42 0.578 6.598 5.276 162 H TRP 43 H TRP 43 2.415 1.174 1.340 163 HA TRP 43 HA TRP 43 0.095 0.883 -0.192 164 1HB TRP 43 2HB TRP 43 2.569 2.216 -0.422 165 2HB TRP 43 1HB TRP 43 2.432 1.221 -1.868 166 HD1 TRP 43 HD1 TRP 43 2.125 4.538 -1.515 167 HE1 TRP 43 HE1 TRP 43 0.096 5.609 -2.661 168 HE3 TRP 43 HE3 TRP 43 -0.815 0.402 -2.009 169 HZ2 TRP 43 HZ2 TRP 43 -2.425 4.822 -3.617 170 HZ3 TRP 43 HZ3 TRP 43 -3.033 0.651 -3.032 171 HH2 TRP 43 HH2 TRP 43 -3.814 2.813 -3.805 172 H GLU 44 H GLU 44 3.125 -0.938 -0.237 173 HA GLU 44 HA GLU 44 2.595 -2.548 -2.462 174 1HB GLU 44 2HB GLU 44 4.789 -2.288 -1.261 175 2HB GLU 44 1HB GLU 44 4.159 -3.336 0.001 176 1HG GLU 44 2HG GLU 44 5.586 -4.563 -1.521 177 2HG GLU 44 1HG GLU 44 3.923 -5.149 -1.603 178 H HIS 45 H HIS 45 1.255 -2.608 0.739 179 HA HIS 45 HA HIS 45 0.459 -5.399 0.599 180 1HB HIS 45 2HB HIS 45 1.087 -3.987 2.708 181 2HB HIS 45 1HB HIS 45 -0.538 -3.334 2.563 182 HD1 HIS 45 HD1 HIS 45 1.343 -6.063 3.975 183 HD2 HIS 45 HD2 HIS 45 -2.607 -5.424 2.786 184 HE1 HIS 45 HE1 HIS 45 -0.002 -7.847 5.127 185 HE2 HIS 45 HE2 HIS 45 -2.389 -7.340 4.538 186 H ILE 46 H ILE 46 -0.821 -2.171 0.348 187 HA ILE 46 HA ILE 46 -3.542 -2.736 -0.020 188 HB ILE 46 HB ILE 46 -2.098 -0.441 -1.342 189 1HG1 ILE 46 2HG1 ILE 46 -2.939 -0.657 1.540 190 2HG1 ILE 46 1HG1 ILE 46 -1.289 -0.529 0.954 191 1HG2 ILE 46 3HG2 ILE 46 -4.475 -0.759 -1.818 192 2HG2 ILE 46 2HG2 ILE 46 -4.805 -0.655 -0.079 193 3HG2 ILE 46 1HG2 ILE 46 -4.145 0.744 -0.940 194 1HD1 ILE 46 3HD1 ILE 46 -1.850 1.688 0.024 195 2HD1 ILE 46 2HD1 ILE 46 -3.450 1.548 0.747 196 3HD1 ILE 46 1HD1 ILE 46 -2.019 1.599 1.780 197 H GLN 47 H GLN 47 -0.799 -3.004 -2.047 198 HA GLN 47 HA GLN 47 -2.106 -2.726 -4.574 199 1HB GLN 47 2HB GLN 47 0.589 -3.018 -3.600 200 2HB GLN 47 1HB GLN 47 0.304 -4.208 -4.858 201 1HG GLN 47 2HG GLN 47 1.174 -2.394 -5.998 202 2HG GLN 47 1HG GLN 47 -0.562 -2.244 -6.249 203 1HE2 GLN 47 1HE2 GLN 47 -1.635 -0.500 -5.433 204 2HE2 GLN 47 2HE2 GLN 47 -0.837 0.835 -4.664 205 H ARG 48 H ARG 48 -0.853 -5.360 -2.615 206 HA ARG 48 HA ARG 48 -1.416 -7.356 -4.546 207 1HB ARG 48 2HB ARG 48 -0.667 -8.943 -2.871 208 2HB ARG 48 1HB ARG 48 0.430 -7.575 -2.958 209 1HG ARG 48 2HG ARG 48 0.280 -7.985 -0.705 210 2HG ARG 48 1HG ARG 48 -0.903 -6.694 -0.933 211 1HD ARG 48 2HD ARG 48 -1.603 -8.714 0.471 212 2HD ARG 48 1HD ARG 48 -2.702 -8.139 -0.788 213 HE ARG 48 HE ARG 48 -1.801 -9.966 -2.210 214 1HH1 ARG 48 1HH1 ARG 48 -1.541 -10.281 1.276 215 2HH1 ARG 48 2HH1 ARG 48 -1.416 -12.019 1.224 216 1HH2 ARG 48 1HH2 ARG 48 -1.667 -12.205 -2.277 217 2HH2 ARG 48 2HH2 ARG 48 -1.506 -13.119 -0.800 218 H ILE 49 H ILE 49 -3.200 -6.050 -1.838 219 HA ILE 49 HA ILE 49 -5.046 -8.279 -1.810 220 HB ILE 49 HB ILE 49 -4.600 -7.287 0.300 221 1HG1 ILE 49 2HG1 ILE 49 -6.858 -6.620 1.060 222 2HG1 ILE 49 1HG1 ILE 49 -7.366 -6.501 -0.622 223 1HG2 ILE 49 1HG2 ILE 49 -3.879 -5.125 -0.439 224 2HG2 ILE 49 3HG2 ILE 49 -5.539 -4.697 -0.856 225 3HG2 ILE 49 2HG2 ILE 49 -5.100 -4.985 0.828 226 1HD1 ILE 49 1HD1 ILE 49 -6.272 -9.024 0.556 227 2HD1 ILE 49 3HD1 ILE 49 -7.983 -8.608 0.620 228 3HD1 ILE 49 2HD1 ILE 49 -7.184 -8.817 -0.936 229 H TYR 50 H TYR 50 -4.931 -5.044 -3.132 230 HA TYR 50 HA TYR 50 -7.609 -4.620 -3.716 231 1HB TYR 50 2HB TYR 50 -5.588 -3.064 -4.087 232 2HB TYR 50 1HB TYR 50 -5.380 -3.901 -5.621 233 HD1 TYR 50 HD1 TYR 50 -8.006 -2.140 -3.652 234 HD2 TYR 50 HD2 TYR 50 -6.416 -3.020 -7.498 235 HE1 TYR 50 HE1 TYR 50 -9.632 -0.603 -4.662 236 HE2 TYR 50 HE2 TYR 50 -8.045 -1.492 -8.529 237 HH TYR 50 HH TYR 50 -9.876 0.728 -6.710 238 H GLU 51 H GLU 51 -5.163 -6.465 -5.427 239 HA GLU 51 HA GLU 51 -6.824 -7.195 -7.626 240 1HB GLU 51 2HB GLU 51 -4.286 -8.506 -6.663 241 2HB GLU 51 1HB GLU 51 -4.992 -8.621 -8.270 242 1HG GLU 51 2HG GLU 51 -4.632 -6.229 -8.607 243 2HG GLU 51 1HG GLU 51 -3.921 -6.110 -7.000 244 H MET 52 H MET 52 -6.183 -8.571 -4.475 245 HA MET 52 HA MET 52 -6.821 -11.258 -4.933 246 1HB MET 52 2HB MET 52 -7.254 -9.608 -2.444 247 2HB MET 52 1HB MET 52 -7.388 -11.354 -2.506 248 1HG MET 52 2HG MET 52 -4.891 -9.776 -3.072 249 2HG MET 52 1HG MET 52 -5.272 -10.581 -1.546 250 1HE MET 52 2HE MET 52 -5.509 -13.227 -1.293 251 2HE MET 52 1HE MET 52 -6.681 -13.272 -2.612 252 3HE MET 52 3HE MET 52 -5.293 -14.362 -2.626 253 H CYS 53 H CYS 53 -8.915 -8.664 -3.698 254 HA CYS 53 HA CYS 53 -11.206 -10.474 -3.965 255 1HB CYS 53 2HB CYS 53 -10.781 -9.345 -1.786 256 2HB CYS 53 1HB CYS 53 -11.045 -7.792 -2.573 257 HG CYS 53 HG CYS 53 -13.727 -8.446 -3.280 258 H ASP 54 H ASP 54 -9.689 -8.402 -5.881 259 HA ASP 54 HA ASP 54 -10.184 -7.269 -7.765 260 1HB ASP 54 2HB ASP 54 -11.628 -9.122 -8.373 261 2HB ASP 54 1HB ASP 54 -12.941 -8.453 -7.409 262 H ARG 55 H ARG 55 -9.782 -5.418 -6.415 263 HA ARG 55 HA ARG 55 -10.130 -3.199 -6.236 264 1HB ARG 55 2HB ARG 55 -12.519 -3.849 -7.923 265 2HB ARG 55 1HB ARG 55 -11.989 -2.209 -7.547 266 1HG ARG 55 2HG ARG 55 -9.994 -2.452 -8.725 267 2HG ARG 55 1HG ARG 55 -10.116 -4.212 -8.743 268 1HD ARG 55 2HD ARG 55 -10.636 -3.530 -10.904 269 2HD ARG 55 1HD ARG 55 -12.179 -3.902 -10.146 270 HE ARG 55 HE ARG 55 -11.225 -1.125 -10.296 271 1HH1 ARG 55 1HH1 ARG 55 -13.597 -3.581 -11.080 272 2HH1 ARG 55 2HH1 ARG 55 -14.730 -2.447 -11.749 273 1HH2 ARG 55 1HH2 ARG 55 -12.722 0.364 -11.195 274 2HH2 ARG 55 2HH2 ARG 55 -14.234 -0.219 -11.822 275 H ASN 56 H ASN 56 -11.705 -5.245 -4.424 276 HA ASN 56 HA ASN 56 -13.739 -3.501 -3.347 277 1HB ASN 56 2HB ASN 56 -12.727 -6.218 -2.535 278 2HB ASN 56 1HB ASN 56 -13.811 -5.298 -1.499 279 1HD2 ASN 56 1HD2 ASN 56 -15.922 -4.907 -2.179 280 2HD2 ASN 56 2HD2 ASN 56 -16.658 -5.822 -3.457 281 H VAL 57 H VAL 57 -13.254 -1.827 -2.176 282 HA VAL 57 HA VAL 57 -10.713 -1.350 -1.036 283 HB VAL 57 HB VAL 57 -13.335 0.037 -0.435 284 1HG1 VAL 57 2HG1 VAL 57 -11.618 0.508 1.241 285 2HG1 VAL 57 1HG1 VAL 57 -10.499 0.983 -0.036 286 3HG1 VAL 57 3HG1 VAL 57 -11.958 1.931 0.254 287 1HG2 VAL 57 3HG2 VAL 57 -11.212 0.644 -2.490 288 2HG2 VAL 57 2HG2 VAL 57 -12.859 0.099 -2.804 289 3HG2 VAL 57 1HG2 VAL 57 -12.577 1.693 -2.105 290 H SER 58 H SER 58 -13.726 -2.592 0.256 291 HA SER 58 HA SER 58 -13.201 -2.350 2.989 292 1HB SER 58 2HB SER 58 -14.792 -4.552 1.666 293 2HB SER 58 1HB SER 58 -14.968 -3.957 3.318 294 HG SER 58 HG SER 58 -15.996 -2.977 0.985 295 H GLU 59 H GLU 59 -12.603 -5.116 0.805 296 HA GLU 59 HA GLU 59 -11.449 -6.732 2.835 297 1HB GLU 59 2HB GLU 59 -12.442 -7.645 0.734 298 2HB GLU 59 1HB GLU 59 -11.096 -6.957 -0.165 299 1HG GLU 59 2HG GLU 59 -10.632 -9.258 0.141 300 2HG GLU 59 1HG GLU 59 -9.557 -8.375 1.228 301 H THR 60 H THR 60 -10.164 -4.540 0.397 302 HA THR 60 HA THR 60 -7.460 -5.040 0.713 303 HB THR 60 HB THR 60 -8.689 -2.301 0.306 304 HG1 THR 60 HG1 THR 60 -9.442 -3.627 -1.333 305 1HG2 THR 60 1HG2 THR 60 -5.967 -3.428 -0.396 306 2HG2 THR 60 3HG2 THR 60 -6.551 -1.819 -0.832 307 3HG2 THR 60 2HG2 THR 60 -6.292 -2.232 0.870 308 H ALA 61 H ALA 61 -9.454 -2.653 2.432 309 HA ALA 61 HA ALA 61 -7.480 -1.695 4.145 310 1HB ALA 61 2HB ALA 61 -10.456 -1.940 4.630 311 2HB ALA 61 1HB ALA 61 -9.352 -0.896 5.529 312 3HB ALA 61 3HB ALA 61 -9.639 -0.606 3.812 313 H ARG 62 H ARG 62 -9.533 -4.543 4.420 314 HA ARG 62 HA ARG 62 -8.991 -5.167 7.124 315 1HB ARG 62 2HB ARG 62 -10.857 -6.106 5.769 316 2HB ARG 62 1HB ARG 62 -9.685 -7.047 4.860 317 1HG ARG 62 2HG ARG 62 -10.702 -8.459 6.488 318 2HG ARG 62 1HG ARG 62 -9.029 -8.171 6.968 319 1HD ARG 62 2HD ARG 62 -9.702 -6.586 8.626 320 2HD ARG 62 1HD ARG 62 -11.366 -6.608 8.041 321 HE ARG 62 HE ARG 62 -10.123 -9.024 9.191 322 1HH1 ARG 62 1HH1 ARG 62 -12.647 -6.613 9.135 323 2HH1 ARG 62 2HH1 ARG 62 -13.662 -7.449 10.273 324 1HH2 ARG 62 1HH2 ARG 62 -11.460 -10.157 10.672 325 2HH2 ARG 62 2HH2 ARG 62 -12.984 -9.465 11.141 326 H ARG 63 H ARG 63 -7.286 -5.709 4.150 327 HA ARG 63 HA ARG 63 -5.539 -7.757 5.092 328 1HB ARG 63 2HB ARG 63 -6.213 -6.902 2.656 329 2HB ARG 63 1HB ARG 63 -4.753 -5.950 2.863 330 1HG ARG 63 2HG ARG 63 -4.035 -7.850 1.753 331 2HG ARG 63 1HG ARG 63 -3.622 -8.174 3.440 332 1HD ARG 63 2HD ARG 63 -5.365 -9.690 3.703 333 2HD ARG 63 1HD ARG 63 -6.247 -9.048 2.318 334 HE ARG 63 HE ARG 63 -4.314 -10.032 0.981 335 1HH1 ARG 63 1HH1 ARG 63 -5.545 -11.395 3.966 336 2HH1 ARG 63 2HH1 ARG 63 -5.106 -13.027 3.557 337 1HH2 ARG 63 1HH2 ARG 63 -3.759 -12.192 0.427 338 2HH2 ARG 63 2HH2 ARG 63 -4.113 -13.484 1.534 339 H LEU 64 H LEU 64 -5.116 -4.277 4.475 340 HA LEU 64 HA LEU 64 -2.451 -4.385 5.638 341 1HB LEU 64 2HB LEU 64 -2.770 -1.730 5.043 342 2HB LEU 64 1HB LEU 64 -2.033 -2.916 3.997 343 HG LEU 64 HG LEU 64 -3.628 -1.444 2.792 344 1HD1 LEU 64 2HD1 LEU 64 -4.246 -4.360 2.922 345 2HD1 LEU 64 1HD1 LEU 64 -4.989 -3.258 1.766 346 3HD1 LEU 64 3HD1 LEU 64 -3.244 -3.485 1.771 347 1HD2 LEU 64 2HD2 LEU 64 -5.596 -2.605 4.730 348 2HD2 LEU 64 1HD2 LEU 64 -5.178 -0.915 4.476 349 3HD2 LEU 64 3HD2 LEU 64 -6.048 -1.803 3.227 350 H ASN 65 H ASN 65 -5.254 -4.400 6.996 351 HA ASN 65 HA ASN 65 -6.012 -3.960 9.090 352 1HB ASN 65 2HB ASN 65 -3.533 -4.698 9.471 353 2HB ASN 65 1HB ASN 65 -3.270 -3.003 9.865 354 1HD2 ASN 65 1HD2 ASN 65 -4.236 -2.136 11.701 355 2HD2 ASN 65 2HD2 ASN 65 -4.859 -3.140 12.971 356 H MET 66 H MET 66 -6.354 -1.959 7.203 357 HA MET 66 HA MET 66 -5.869 0.540 8.688 358 1HB MET 66 2HB MET 66 -5.739 -0.165 5.816 359 2HB MET 66 1HB MET 66 -6.407 1.413 6.208 360 1HG MET 66 2HG MET 66 -4.429 2.198 7.047 361 2HG MET 66 1HG MET 66 -3.828 0.584 7.437 362 1HE MET 66 1HE MET 66 -4.951 2.806 4.348 363 2HE MET 66 3HE MET 66 -4.208 1.881 3.035 364 3HE MET 66 2HE MET 66 -5.504 1.163 3.988 365 H HIS 67 H HIS 67 -7.409 2.235 8.287 366 HA HIS 67 HA HIS 67 -10.111 1.294 8.647 367 1HB HIS 67 2HB HIS 67 -8.902 3.195 9.898 368 2HB HIS 67 1HB HIS 67 -9.168 4.154 8.450 369 HD1 HIS 67 HD1 HIS 67 -11.089 2.406 11.189 370 HD2 HIS 67 HD2 HIS 67 -11.655 5.289 8.249 371 HE1 HIS 67 HE1 HIS 67 -13.362 3.390 11.637 372 HE2 HIS 67 HE2 HIS 67 -13.735 5.051 9.772 373 H ARG 68 H ARG 68 -11.899 2.057 7.281 374 HA ARG 68 HA ARG 68 -11.444 1.529 4.588 375 1HB ARG 68 2HB ARG 68 -13.660 1.793 6.140 376 2HB ARG 68 1HB ARG 68 -13.776 3.238 5.145 377 1HG ARG 68 2HG ARG 68 -15.000 1.613 3.999 378 2HG ARG 68 1HG ARG 68 -13.451 1.694 3.152 379 1HD ARG 68 2HD ARG 68 -14.103 -0.622 3.466 380 2HD ARG 68 1HD ARG 68 -12.674 -0.264 4.435 381 HE ARG 68 HE ARG 68 -15.151 0.058 5.868 382 1HH1 ARG 68 1HH1 ARG 68 -12.663 -2.224 4.935 383 2HH1 ARG 68 2HH1 ARG 68 -13.008 -3.330 6.226 384 1HH2 ARG 68 1HH2 ARG 68 -15.608 -1.380 7.566 385 2HH2 ARG 68 2HH2 ARG 68 -14.699 -2.855 7.727 386 H ARG 69 H ARG 69 -11.953 4.697 6.146 387 HA ARG 69 HA ARG 69 -11.680 6.234 3.803 388 1HB ARG 69 2HB ARG 69 -11.188 6.981 6.684 389 2HB ARG 69 1HB ARG 69 -11.193 8.136 5.358 390 1HG ARG 69 2HG ARG 69 -13.530 7.363 4.843 391 2HG ARG 69 1HG ARG 69 -13.485 6.487 6.373 392 1HD ARG 69 2HD ARG 69 -12.972 8.616 7.523 393 2HD ARG 69 1HD ARG 69 -13.148 9.453 5.983 394 HE ARG 69 HE ARG 69 -15.437 7.867 6.787 395 1HH1 ARG 69 1HH1 ARG 69 -13.919 11.023 6.803 396 2HH1 ARG 69 2HH1 ARG 69 -15.390 11.880 7.156 397 1HH2 ARG 69 1HH2 ARG 69 -17.375 8.981 7.291 398 2HH2 ARG 69 2HH2 ARG 69 -17.359 10.718 7.434 399 H THR 70 H THR 70 -9.297 4.924 6.011 400 HA THR 70 HA THR 70 -7.025 6.347 5.190 401 HB THR 70 HB THR 70 -6.996 3.446 5.994 402 HG1 THR 70 HG1 THR 70 -6.667 4.769 8.163 403 1HG2 THR 70 3HG2 THR 70 -5.067 5.729 6.441 404 2HG2 THR 70 2HG2 THR 70 -4.860 4.082 7.037 405 3HG2 THR 70 1HG2 THR 70 -4.857 4.401 5.300 406 H LEU 71 H LEU 71 -8.339 3.258 4.056 407 HA LEU 71 HA LEU 71 -6.473 2.792 2.008 408 1HB LEU 71 2HB LEU 71 -8.477 1.365 3.040 409 2HB LEU 71 1HB LEU 71 -9.343 2.014 1.665 410 HG LEU 71 HG LEU 71 -8.499 -0.210 1.178 411 1HD1 LEU 71 1HD1 LEU 71 -7.031 1.929 -0.358 412 2HD1 LEU 71 3HD1 LEU 71 -7.238 0.256 -0.877 413 3HD1 LEU 71 2HD1 LEU 71 -8.644 1.302 -0.698 414 1HD2 LEU 71 1HD2 LEU 71 -6.596 -0.114 2.750 415 2HD2 LEU 71 3HD2 LEU 71 -6.165 -0.746 1.165 416 3HD2 LEU 71 2HD2 LEU 71 -5.737 0.910 1.600 417 H GLN 72 H GLN 72 -9.563 4.495 2.032 418 HA GLN 72 HA GLN 72 -9.868 4.848 -0.729 419 1HB GLN 72 2HB GLN 72 -11.678 5.196 0.923 420 2HB GLN 72 1HB GLN 72 -10.866 6.651 1.485 421 1HG GLN 72 2HG GLN 72 -12.636 7.292 0.025 422 2HG GLN 72 1HG GLN 72 -11.106 7.604 -0.795 423 1HE2 GLN 72 1HE2 GLN 72 -11.926 7.519 -2.847 424 2HE2 GLN 72 2HE2 GLN 72 -12.495 6.046 -3.576 425 H ARG 73 H ARG 73 -8.434 7.055 1.681 426 HA ARG 73 HA ARG 73 -7.882 9.127 -0.158 427 1HB ARG 73 2HB ARG 73 -7.882 9.502 2.265 428 2HB ARG 73 1HB ARG 73 -6.481 8.452 2.440 429 1HG ARG 73 2HG ARG 73 -5.736 10.713 2.530 430 2HG ARG 73 1HG ARG 73 -5.205 10.013 0.999 431 1HD ARG 73 2HD ARG 73 -6.068 12.272 0.680 432 2HD ARG 73 1HD ARG 73 -7.065 11.077 -0.151 433 HE ARG 73 HE ARG 73 -8.097 11.614 2.437 434 1HH1 ARG 73 1HH1 ARG 73 -7.859 12.970 -0.780 435 2HH1 ARG 73 2HH1 ARG 73 -9.293 13.949 -0.607 436 1HH2 ARG 73 1HH2 ARG 73 -9.988 12.880 2.667 437 2HH2 ARG 73 2HH2 ARG 73 -10.515 13.871 1.336 438 H ILE 74 H ILE 74 -5.847 6.561 1.152 439 HA ILE 74 HA ILE 74 -3.483 7.152 -0.212 440 HB ILE 74 HB ILE 74 -4.627 4.594 0.888 441 1HG1 ILE 74 2HG1 ILE 74 -2.290 6.203 1.890 442 2HG1 ILE 74 1HG1 ILE 74 -3.949 6.581 2.347 443 1HG2 ILE 74 1HG2 ILE 74 -1.910 5.012 -0.344 444 2HG2 ILE 74 3HG2 ILE 74 -2.301 3.680 0.744 445 3HG2 ILE 74 2HG2 ILE 74 -3.143 3.823 -0.795 446 1HD1 ILE 74 3HD1 ILE 74 -2.540 3.970 2.832 447 2HD1 ILE 74 2HD1 ILE 74 -2.852 5.227 4.031 448 3HD1 ILE 74 1HD1 ILE 74 -4.202 4.358 3.292 449 H LEU 75 H LEU 75 -6.097 4.920 -1.029 450 HA LEU 75 HA LEU 75 -5.037 3.905 -3.418 451 1HB LEU 75 2HB LEU 75 -6.979 3.087 -1.951 452 2HB LEU 75 1HB LEU 75 -7.963 4.250 -2.812 453 HG LEU 75 HG LEU 75 -7.382 3.063 -4.933 454 1HD1 LEU 75 1HD1 LEU 75 -6.178 1.073 -3.023 455 2HD1 LEU 75 3HD1 LEU 75 -6.512 0.762 -4.728 456 3HD1 LEU 75 2HD1 LEU 75 -5.331 1.989 -4.270 457 1HD2 LEU 75 2HD2 LEU 75 -8.740 1.439 -2.786 458 2HD2 LEU 75 1HD2 LEU 75 -9.496 2.683 -3.786 459 3HD2 LEU 75 3HD2 LEU 75 -8.907 1.193 -4.526 460 H ALA 76 H ALA 76 -7.022 6.726 -2.735 461 HA ALA 76 HA ALA 76 -7.613 7.249 -5.513 462 1HB ALA 76 1HB ALA 76 -8.868 9.124 -4.687 463 2HB ALA 76 3HB ALA 76 -9.195 7.720 -3.667 464 3HB ALA 76 2HB ALA 76 -8.104 8.987 -3.101 465 H LYS 77 H LYS 77 -5.061 7.977 -3.407 466 HA LYS 77 HA LYS 77 -4.500 10.622 -4.369 467 1HB LYS 77 2HB LYS 77 -4.040 9.933 -2.052 468 2HB LYS 77 1HB LYS 77 -2.870 8.760 -2.633 469 1HG LYS 77 2HG LYS 77 -2.460 11.583 -3.421 470 2HG LYS 77 1HG LYS 77 -2.183 11.157 -1.731 471 1HD LYS 77 2HD LYS 77 -0.535 9.543 -2.324 472 2HD LYS 77 1HD LYS 77 -0.943 9.657 -4.042 473 1HE LYS 77 2HE LYS 77 -0.190 12.003 -4.036 474 2HE LYS 77 1HE LYS 77 0.226 11.861 -2.331 475 1HZ LYS 77 3HZ LYS 77 1.423 10.087 -4.370 476 2HZ LYS 77 2HZ LYS 77 2.082 11.612 -4.018 477 3HZ LYS 77 1HZ LYS 77 1.985 10.426 -2.805 478 H ARG 78 H ARG 78 -3.803 7.520 -5.498 479 HA ARG 78 HA ARG 78 -1.167 7.521 -6.225 480 1HB ARG 78 2HB ARG 78 -3.487 6.327 -7.705 481 2HB ARG 78 1HB ARG 78 -1.796 5.939 -8.015 482 1HG ARG 78 2HG ARG 78 -1.582 5.235 -5.655 483 2HG ARG 78 1HG ARG 78 -3.318 5.493 -5.465 484 1HD ARG 78 2HD ARG 78 -2.010 3.594 -7.404 485 2HD ARG 78 1HD ARG 78 -2.820 3.143 -5.905 486 HE ARG 78 HE ARG 78 -4.657 4.589 -7.400 487 1HH1 ARG 78 1HH1 ARG 78 -2.885 1.575 -7.744 488 2HH1 ARG 78 2HH1 ARG 78 -4.116 0.824 -8.719 489 1HH2 ARG 78 1HH2 ARG 78 -6.234 3.623 -8.708 490 2HH2 ARG 78 2HH2 ARG 78 -6.008 1.995 -9.275 491 H SER 79 H SER 79 -0.329 9.361 -6.967 492 HA SER 79 HA SER 79 -0.387 9.737 -9.809 493 1HB SER 79 2HB SER 79 -1.279 11.999 -7.986 494 2HB SER 79 1HB SER 79 -0.864 12.190 -9.689 495 HG SER 79 HG SER 79 -2.711 10.211 -9.172 496 HA PRO 80 HA PRO 80 3.812 11.045 -8.849 497 1HB PRO 80 2HB PRO 80 4.314 12.956 -10.692 498 2HB PRO 80 1HB PRO 80 4.151 11.250 -11.135 499 1HG PRO 80 2HG PRO 80 2.094 13.432 -11.255 500 2HG PRO 80 1HG PRO 80 2.539 12.259 -12.513 501 1HD PRO 80 2HD PRO 80 0.384 11.898 -10.961 502 2HD PRO 80 1HD PRO 80 1.398 10.529 -11.464 503 H ARG 81 H ARG 81 1.655 12.323 -7.392 504 HA ARG 81 HA ARG 81 2.408 15.125 -7.123 505 1HB ARG 81 2HB ARG 81 0.014 14.443 -7.272 506 2HB ARG 81 1HB ARG 81 0.210 13.531 -5.784 507 1HG ARG 81 2HG ARG 81 0.627 15.561 -4.547 508 2HG ARG 81 1HG ARG 81 0.557 16.508 -6.039 509 1HD ARG 81 2HD ARG 81 -1.768 15.725 -6.376 510 2HD ARG 81 1HD ARG 81 -1.681 14.898 -4.823 511 HE ARG 81 HE ARG 81 -1.096 17.394 -4.105 512 1HH1 ARG 81 1HH1 ARG 81 -3.608 16.185 -6.235 513 2HH1 ARG 81 2HH1 ARG 81 -4.732 17.445 -5.817 514 1HH2 ARG 81 1HH2 ARG 81 -2.572 19.046 -3.570 515 2HH2 ARG 81 2HH2 ARG 81 -4.147 19.061 -4.312 No H/Q in entry = 515 Start of MODEL 3 1 H1 LEU 22 2H LEU 22 -3.165 -3.730 23.423 2 H2 LEU 22 1H LEU 22 -3.420 -5.343 22.976 3 H3 LEU 22 3H LEU 22 -2.376 -4.363 22.069 4 HA LEU 22 HA LEU 22 -4.406 -4.606 20.883 5 1HB LEU 22 2HB LEU 22 -5.651 -5.016 23.122 6 2HB LEU 22 1HB LEU 22 -5.829 -3.274 23.176 7 HG LEU 22 HG LEU 22 -7.810 -4.538 22.291 8 1HD1 LEU 22 1HD1 LEU 22 -7.541 -2.165 21.834 9 2HD1 LEU 22 3HD1 LEU 22 -6.562 -2.539 20.415 10 3HD1 LEU 22 2HD1 LEU 22 -8.265 -2.997 20.458 11 1HD2 LEU 22 2HD2 LEU 22 -5.987 -5.005 19.940 12 2HD2 LEU 22 1HD2 LEU 22 -6.628 -6.236 21.026 13 3HD2 LEU 22 3HD2 LEU 22 -7.718 -5.329 19.980 14 H ALA 23 H ALA 23 -3.506 -1.983 23.087 15 HA ALA 23 HA ALA 23 -4.550 0.083 21.416 16 1HB ALA 23 3HB ALA 23 -2.608 0.247 23.718 17 2HB ALA 23 2HB ALA 23 -3.447 1.607 22.974 18 3HB ALA 23 1HB ALA 23 -4.365 0.367 23.832 19 H LYS 24 H LYS 24 -3.453 1.553 20.129 20 HA LYS 24 HA LYS 24 -1.111 0.636 18.791 21 1HB LYS 24 2HB LYS 24 -2.669 3.207 18.718 22 2HB LYS 24 1HB LYS 24 -1.142 3.055 17.858 23 1HG LYS 24 2HG LYS 24 -2.025 1.210 16.560 24 2HG LYS 24 1HG LYS 24 -3.548 1.289 17.453 25 1HD LYS 24 2HD LYS 24 -4.063 3.423 16.551 26 2HD LYS 24 1HD LYS 24 -2.436 3.613 15.898 27 1HE LYS 24 2HE LYS 24 -4.148 3.052 14.185 28 2HE LYS 24 1HE LYS 24 -2.819 1.895 14.271 29 1HZ LYS 24 1HZ LYS 24 -5.431 1.497 15.620 30 2HZ LYS 24 3HZ LYS 24 -5.068 0.888 14.083 31 3HZ LYS 24 2HZ LYS 24 -4.187 0.359 15.430 32 H GLY 25 H GLY 25 -1.680 2.606 21.564 33 1HA GLY 25 1HA GLY 25 -0.254 3.785 22.946 34 2HA GLY 25 2HA GLY 25 0.948 3.766 21.665 35 H GLU 26 H GLU 26 0.565 0.771 21.519 36 HA GLU 26 HA GLU 26 1.518 -0.408 23.900 37 1HB GLU 26 2HB GLU 26 0.492 -1.631 21.977 38 2HB GLU 26 1HB GLU 26 1.939 -1.300 21.036 39 1HG GLU 26 2HG GLU 26 2.039 -3.538 21.854 40 2HG GLU 26 1HG GLU 26 3.253 -2.577 22.698 41 H SER 27 H SER 27 3.104 0.782 20.995 42 HA SER 27 HA SER 27 5.508 1.424 22.442 43 1HB SER 27 2HB SER 27 5.647 -0.565 20.155 44 2HB SER 27 1HB SER 27 7.017 0.091 21.052 45 HG SER 27 HG SER 27 5.402 -0.907 22.854 46 H LEU 28 H LEU 28 3.729 1.186 19.440 47 HA LEU 28 HA LEU 28 3.497 2.517 17.636 48 1HB LEU 28 2HB LEU 28 3.294 4.350 19.293 49 2HB LEU 28 1HB LEU 28 5.032 4.574 19.231 50 HG LEU 28 HG LEU 28 4.858 5.191 16.848 51 1HD1 LEU 28 2HD1 LEU 28 2.852 3.926 16.285 52 2HD1 LEU 28 1HD1 LEU 28 1.884 4.991 17.304 53 3HD1 LEU 28 3HD1 LEU 28 2.669 5.628 15.860 54 1HD2 LEU 28 1HD2 LEU 28 3.081 6.787 18.690 55 2HD2 LEU 28 3HD2 LEU 28 4.833 6.928 18.555 56 3HD2 LEU 28 2HD2 LEU 28 3.805 7.373 17.193 57 HA PRO 29 HA PRO 29 6.889 0.609 15.479 58 1HB PRO 29 2HB PRO 29 5.949 2.791 13.655 59 2HB PRO 29 1HB PRO 29 6.414 1.132 13.261 60 1HG PRO 29 2HG PRO 29 3.827 1.909 13.618 61 2HG PRO 29 1HG PRO 29 4.410 0.267 13.939 62 1HD PRO 29 2HD PRO 29 3.431 2.225 15.827 63 2HD PRO 29 1HD PRO 29 3.933 0.549 16.125 64 HA PRO 30 HA PRO 30 9.925 3.621 17.061 65 1HB PRO 30 2HB PRO 30 11.977 1.853 16.210 66 2HB PRO 30 1HB PRO 30 11.372 2.106 17.847 67 1HG PRO 30 2HG PRO 30 10.732 -0.027 15.908 68 2HG PRO 30 1HG PRO 30 10.671 -0.056 17.677 69 1HD PRO 30 2HD PRO 30 8.450 0.016 16.150 70 2HD PRO 30 1HD PRO 30 8.535 0.800 17.741 71 HA PRO 31 HA PRO 31 11.968 4.196 12.792 72 1HB PRO 31 2HB PRO 31 10.932 2.332 10.850 73 2HB PRO 31 1HB PRO 31 12.595 2.519 11.408 74 1HG PRO 31 2HG PRO 31 11.047 0.325 11.932 75 2HG PRO 31 1HG PRO 31 12.398 0.854 12.950 76 1HD PRO 31 2HD PRO 31 9.456 1.274 13.332 77 2HD PRO 31 1HD PRO 31 10.705 0.877 14.531 78 HA PRO 32 HA PRO 32 8.134 6.321 11.679 79 1HB PRO 32 2HB PRO 32 9.366 8.536 10.695 80 2HB PRO 32 1HB PRO 32 9.100 8.271 12.422 81 1HG PRO 32 2HG PRO 32 11.572 7.820 10.794 82 2HG PRO 32 1HG PRO 32 11.408 8.547 12.405 83 1HD PRO 32 2HD PRO 32 12.205 5.989 12.049 84 2HD PRO 32 1HD PRO 32 11.243 6.498 13.453 85 H GLU 33 H GLU 33 11.001 5.856 9.725 86 HA GLU 33 HA GLU 33 9.509 4.884 7.521 87 1HB GLU 33 2HB GLU 33 10.356 6.599 5.880 88 2HB GLU 33 1HB GLU 33 9.094 7.161 6.965 89 1HG GLU 33 2HG GLU 33 10.401 8.905 7.352 90 2HG GLU 33 1HG GLU 33 11.399 7.812 8.309 91 H ASN 34 H ASN 34 10.860 3.907 5.956 92 HA ASN 34 HA ASN 34 13.685 3.690 6.724 93 1HB ASN 34 2HB ASN 34 13.483 1.204 6.244 94 2HB ASN 34 1HB ASN 34 12.676 1.757 7.704 95 1HD2 ASN 34 1HD2 ASN 34 11.363 -0.063 7.692 96 2HD2 ASN 34 2HD2 ASN 34 10.030 -0.216 6.590 97 HA PRO 35 HA PRO 35 15.053 3.595 2.427 98 1HB PRO 35 2HB PRO 35 15.296 0.736 2.155 99 2HB PRO 35 1HB PRO 35 16.575 1.942 2.292 100 1HG PRO 35 2HG PRO 35 15.365 0.242 4.379 101 2HG PRO 35 1HG PRO 35 16.962 1.009 4.333 102 1HD PRO 35 2HD PRO 35 15.053 1.910 5.970 103 2HD PRO 35 1HD PRO 35 16.150 3.032 5.139 104 H MET 36 H MET 36 12.778 0.959 3.237 105 HA MET 36 HA MET 36 11.749 0.895 0.540 106 1HB MET 36 2HB MET 36 11.324 -0.669 3.015 107 2HB MET 36 1HB MET 36 9.981 -0.613 1.884 108 1HG MET 36 2HG MET 36 12.779 -1.493 1.231 109 2HG MET 36 1HG MET 36 11.409 -2.557 1.538 110 1HE MET 36 2HE MET 36 9.217 -2.591 0.001 111 2HE MET 36 1HE MET 36 9.071 -0.836 0.084 112 3HE MET 36 3HE MET 36 9.047 -1.650 -1.481 113 H SER 37 H SER 37 11.243 2.994 3.002 114 HA SER 37 HA SER 37 9.676 4.540 3.520 115 1HB SER 37 2HB SER 37 8.329 3.682 0.944 116 2HB SER 37 1HB SER 37 7.965 5.140 1.869 117 HG SER 37 HG SER 37 10.360 4.491 0.488 118 H ALA 38 H ALA 38 8.211 4.408 5.091 119 HA ALA 38 HA ALA 38 6.957 1.988 5.779 120 1HB ALA 38 2HB ALA 38 7.457 3.749 7.420 121 2HB ALA 38 1HB ALA 38 6.242 4.784 6.668 122 3HB ALA 38 3HB ALA 38 5.756 3.286 7.458 123 H ASP 39 H ASP 39 6.043 4.693 3.834 124 HA ASP 39 HA ASP 39 3.285 4.052 3.664 125 1HB ASP 39 2HB ASP 39 4.298 6.333 3.206 126 2HB ASP 39 1HB ASP 39 4.865 5.669 1.673 127 H ARG 40 H ARG 40 6.131 3.452 1.641 128 HA ARG 40 HA ARG 40 4.693 2.271 -0.478 129 1HB ARG 40 2HB ARG 40 7.609 2.080 0.259 130 2HB ARG 40 1HB ARG 40 6.928 1.344 -1.184 131 1HG ARG 40 2HG ARG 40 6.183 3.583 -1.925 132 2HG ARG 40 1HG ARG 40 6.989 4.279 -0.518 133 1HD ARG 40 2HD ARG 40 8.443 4.478 -2.417 134 2HD ARG 40 1HD ARG 40 9.120 3.282 -1.313 135 HE ARG 40 HE ARG 40 7.516 2.413 -3.621 136 1HH1 ARG 40 1HH1 ARG 40 10.572 2.497 -1.910 137 2HH1 ARG 40 2HH1 ARG 40 11.305 1.270 -2.907 138 1HH2 ARG 40 1HH2 ARG 40 8.476 0.843 -4.944 139 2HH2 ARG 40 2HH2 ARG 40 10.118 0.338 -4.646 140 H VAL 41 H VAL 41 6.238 1.000 2.419 141 HA VAL 41 HA VAL 41 5.901 -1.739 1.952 142 HB VAL 41 HB VAL 41 5.685 -0.248 4.577 143 1HG1 VAL 41 3HG1 VAL 41 4.628 -2.442 4.743 144 2HG1 VAL 41 2HG1 VAL 41 6.074 -3.201 4.078 145 3HG1 VAL 41 1HG1 VAL 41 6.140 -2.404 5.650 146 1HG2 VAL 41 3HG2 VAL 41 8.000 -1.695 3.293 147 2HG2 VAL 41 2HG2 VAL 41 7.837 0.050 3.488 148 3HG2 VAL 41 1HG2 VAL 41 8.005 -0.983 4.906 149 H ARG 42 H ARG 42 3.635 0.662 3.255 150 HA ARG 42 HA ARG 42 1.489 -1.147 3.661 151 1HB ARG 42 2HB ARG 42 1.467 1.829 3.158 152 2HB ARG 42 1HB ARG 42 0.060 0.888 3.629 153 1HG ARG 42 2HG ARG 42 1.307 0.226 5.694 154 2HG ARG 42 1HG ARG 42 2.545 1.401 5.236 155 1HD ARG 42 2HD ARG 42 -0.367 1.957 5.758 156 2HD ARG 42 1HD ARG 42 0.987 2.401 6.798 157 HE ARG 42 HE ARG 42 1.267 3.486 4.173 158 1HH1 ARG 42 1HH1 ARG 42 -0.384 3.964 7.222 159 2HH1 ARG 42 2HH1 ARG 42 -0.588 5.675 6.987 160 1HH2 ARG 42 1HH2 ARG 42 0.988 5.732 3.850 161 2HH2 ARG 42 2HH2 ARG 42 0.190 6.671 5.085 162 H TRP 43 H TRP 43 2.322 1.059 1.011 163 HA TRP 43 HA TRP 43 0.106 0.640 -0.611 164 1HB TRP 43 2HB TRP 43 2.615 1.952 -0.827 165 2HB TRP 43 1HB TRP 43 2.423 0.954 -2.266 166 HD1 TRP 43 HD1 TRP 43 2.165 4.294 -1.876 167 HE1 TRP 43 HE1 TRP 43 0.147 5.401 -3.004 168 HE3 TRP 43 HE3 TRP 43 -0.832 0.194 -2.379 169 HZ2 TRP 43 HZ2 TRP 43 -2.393 4.656 -3.943 170 HZ3 TRP 43 HZ3 TRP 43 -3.053 0.487 -3.381 171 HH2 TRP 43 HH2 TRP 43 -3.812 2.667 -4.130 172 H GLU 44 H GLU 44 3.148 -1.160 -0.464 173 HA GLU 44 HA GLU 44 2.739 -2.924 -2.575 174 1HB GLU 44 2HB GLU 44 4.859 -2.816 -1.410 175 2HB GLU 44 1HB GLU 44 4.110 -3.367 0.083 176 1HG GLU 44 2HG GLU 44 3.577 -5.510 -1.040 177 2HG GLU 44 1HG GLU 44 4.483 -4.951 -2.446 178 H HIS 45 H HIS 45 1.460 -2.951 0.701 179 HA HIS 45 HA HIS 45 0.435 -5.636 0.502 180 1HB HIS 45 2HB HIS 45 1.164 -4.293 2.633 181 2HB HIS 45 1HB HIS 45 -0.450 -3.599 2.540 182 HD1 HIS 45 HD1 HIS 45 1.315 -6.205 4.141 183 HD2 HIS 45 HD2 HIS 45 -2.498 -5.867 2.480 184 HE1 HIS 45 HE1 HIS 45 -0.029 -8.077 5.141 185 HE2 HIS 45 HE2 HIS 45 -2.371 -7.705 4.313 186 H ILE 46 H ILE 46 -0.706 -2.346 0.140 187 HA ILE 46 HA ILE 46 -3.471 -2.852 -0.006 188 HB ILE 46 HB ILE 46 -2.042 -0.658 -1.513 189 1HG1 ILE 46 2HG1 ILE 46 -2.873 -0.723 1.386 190 2HG1 ILE 46 1HG1 ILE 46 -1.224 -0.623 0.773 191 1HG2 ILE 46 1HG2 ILE 46 -4.426 -0.945 -1.981 192 2HG2 ILE 46 3HG2 ILE 46 -4.769 -0.781 -0.254 193 3HG2 ILE 46 2HG2 ILE 46 -4.085 0.580 -1.155 194 1HD1 ILE 46 1HD1 ILE 46 -1.841 1.535 -0.301 195 2HD1 ILE 46 3HD1 ILE 46 -3.388 1.441 0.541 196 3HD1 ILE 46 2HD1 ILE 46 -1.889 1.547 1.466 197 H GLN 47 H GLN 47 -0.909 -3.050 -2.372 198 HA GLN 47 HA GLN 47 -2.638 -3.109 -4.651 199 1HB GLN 47 2HB GLN 47 0.274 -3.837 -4.312 200 2HB GLN 47 1HB GLN 47 -0.564 -3.909 -5.853 201 1HG GLN 47 2HG GLN 47 -0.128 -1.443 -4.182 202 2HG GLN 47 1HG GLN 47 0.732 -1.876 -5.656 203 1HE2 GLN 47 1HE2 GLN 47 -0.729 0.531 -5.193 204 2HE2 GLN 47 2HE2 GLN 47 -2.036 0.569 -6.325 205 H ARG 48 H ARG 48 -0.769 -5.526 -2.863 206 HA ARG 48 HA ARG 48 -1.478 -7.708 -4.469 207 1HB ARG 48 2HB ARG 48 -0.671 -9.108 -2.593 208 2HB ARG 48 1HB ARG 48 0.448 -7.819 -3.014 209 1HG ARG 48 2HG ARG 48 0.501 -7.706 -0.745 210 2HG ARG 48 1HG ARG 48 -0.785 -6.549 -1.089 211 1HD ARG 48 2HD ARG 48 -1.599 -7.888 0.657 212 2HD ARG 48 1HD ARG 48 -2.399 -8.478 -0.799 213 HE ARG 48 HE ARG 48 -0.289 -9.839 0.715 214 1HH1 ARG 48 1HH1 ARG 48 -2.601 -9.925 -1.936 215 2HH1 ARG 48 2HH1 ARG 48 -2.414 -11.631 -2.196 216 1HH2 ARG 48 1HH2 ARG 48 -0.043 -12.052 0.354 217 2HH2 ARG 48 2HH2 ARG 48 -0.954 -12.843 -0.899 218 H ILE 49 H ILE 49 -3.182 -6.169 -1.817 219 HA ILE 49 HA ILE 49 -5.094 -8.341 -1.718 220 HB ILE 49 HB ILE 49 -4.723 -7.368 0.394 221 1HG1 ILE 49 2HG1 ILE 49 -6.944 -6.605 1.078 222 2HG1 ILE 49 1HG1 ILE 49 -7.367 -6.292 -0.601 223 1HG2 ILE 49 3HG2 ILE 49 -3.800 -5.260 -0.325 224 2HG2 ILE 49 2HG2 ILE 49 -5.408 -4.709 -0.790 225 3HG2 ILE 49 1HG2 ILE 49 -5.047 -5.033 0.904 226 1HD1 ILE 49 2HD1 ILE 49 -6.522 -9.026 0.210 227 2HD1 ILE 49 1HD1 ILE 49 -8.159 -8.465 0.562 228 3HD1 ILE 49 3HD1 ILE 49 -7.580 -8.517 -1.102 229 H TYR 50 H TYR 50 -4.980 -5.011 -2.926 230 HA TYR 50 HA TYR 50 -7.671 -4.755 -3.650 231 1HB TYR 50 2HB TYR 50 -5.796 -2.980 -3.626 232 2HB TYR 50 1HB TYR 50 -5.414 -3.553 -5.245 233 HD1 TYR 50 HD1 TYR 50 -6.768 -2.935 -7.120 234 HD2 TYR 50 HD2 TYR 50 -7.982 -1.913 -3.172 235 HE1 TYR 50 HE1 TYR 50 -8.471 -1.414 -8.042 236 HE2 TYR 50 HE2 TYR 50 -9.683 -0.392 -4.079 237 HH TYR 50 HH TYR 50 -10.037 0.913 -6.215 238 H GLU 51 H GLU 51 -4.968 -6.277 -5.279 239 HA GLU 51 HA GLU 51 -6.335 -6.789 -7.724 240 1HB GLU 51 2HB GLU 51 -3.890 -8.063 -6.491 241 2HB GLU 51 1HB GLU 51 -4.471 -8.416 -8.112 242 1HG GLU 51 2HG GLU 51 -3.607 -5.703 -7.131 243 2HG GLU 51 1HG GLU 51 -2.618 -6.807 -8.085 244 H MET 52 H MET 52 -5.839 -8.677 -4.744 245 HA MET 52 HA MET 52 -6.920 -11.055 -5.931 246 1HB MET 52 2HB MET 52 -6.584 -12.142 -3.823 247 2HB MET 52 1HB MET 52 -5.179 -11.148 -4.162 248 1HG MET 52 2HG MET 52 -6.128 -9.422 -2.641 249 2HG MET 52 1HG MET 52 -7.397 -10.567 -2.219 250 1HE MET 52 2HE MET 52 -5.772 -13.319 -2.278 251 2HE MET 52 1HE MET 52 -5.314 -13.473 -0.581 252 3HE MET 52 3HE MET 52 -6.930 -12.912 -1.011 253 H CYS 53 H CYS 53 -8.215 -8.639 -3.622 254 HA CYS 53 HA CYS 53 -10.732 -10.043 -3.459 255 1HB CYS 53 2HB CYS 53 -11.465 -8.120 -2.119 256 2HB CYS 53 1HB CYS 53 -9.915 -8.736 -1.555 257 HG CYS 53 HG CYS 53 -8.390 -6.688 -2.535 258 H ASP 54 H ASP 54 -9.309 -8.255 -5.789 259 HA ASP 54 HA ASP 54 -9.960 -7.255 -7.697 260 1HB ASP 54 2HB ASP 54 -11.349 -9.330 -7.883 261 2HB ASP 54 1HB ASP 54 -12.693 -8.436 -7.181 262 H ARG 55 H ARG 55 -9.646 -5.283 -6.444 263 HA ARG 55 HA ARG 55 -10.164 -3.083 -6.310 264 1HB ARG 55 2HB ARG 55 -12.660 -3.885 -7.791 265 2HB ARG 55 1HB ARG 55 -12.055 -2.241 -7.602 266 1HG ARG 55 2HG ARG 55 -10.025 -2.840 -8.811 267 2HG ARG 55 1HG ARG 55 -10.618 -4.492 -8.996 268 1HD ARG 55 2HD ARG 55 -12.550 -3.619 -10.242 269 2HD ARG 55 1HD ARG 55 -11.878 -1.996 -10.094 270 HE ARG 55 HE ARG 55 -9.886 -2.980 -11.329 271 1HH1 ARG 55 1HH1 ARG 55 -13.149 -4.192 -11.769 272 2HH1 ARG 55 2HH1 ARG 55 -12.883 -4.679 -13.417 273 1HH2 ARG 55 1HH2 ARG 55 -9.536 -3.632 -13.487 274 2HH2 ARG 55 2HH2 ARG 55 -10.827 -4.355 -14.389 275 H ASN 56 H ASN 56 -11.343 -5.196 -4.374 276 HA ASN 56 HA ASN 56 -13.614 -3.773 -3.267 277 1HB ASN 56 2HB ASN 56 -13.453 -6.287 -3.268 278 2HB ASN 56 1HB ASN 56 -12.135 -6.150 -2.111 279 1HD2 ASN 56 1HD2 ASN 56 -14.597 -7.508 -1.745 280 2HD2 ASN 56 2HD2 ASN 56 -15.433 -6.745 -0.431 281 H VAL 57 H VAL 57 -12.965 -1.848 -2.462 282 HA VAL 57 HA VAL 57 -10.505 -1.342 -1.196 283 HB VAL 57 HB VAL 57 -11.855 0.443 -2.198 284 1HG1 VAL 57 1HG1 VAL 57 -14.074 -0.341 -1.578 285 2HG1 VAL 57 3HG1 VAL 57 -13.740 0.012 0.116 286 3HG1 VAL 57 2HG1 VAL 57 -13.833 1.327 -1.057 287 1HG2 VAL 57 2HG2 VAL 57 -11.373 0.838 0.754 288 2HG2 VAL 57 1HG2 VAL 57 -10.197 1.066 -0.540 289 3HG2 VAL 57 3HG2 VAL 57 -11.600 2.128 -0.428 290 H SER 58 H SER 58 -13.531 -2.546 0.038 291 HA SER 58 HA SER 58 -13.173 -1.870 2.751 292 1HB SER 58 2HB SER 58 -14.779 -4.150 1.573 293 2HB SER 58 1HB SER 58 -14.992 -3.436 3.173 294 HG SER 58 HG SER 58 -16.464 -2.383 1.978 295 H GLU 59 H GLU 59 -12.495 -4.919 0.978 296 HA GLU 59 HA GLU 59 -11.405 -6.110 3.344 297 1HB GLU 59 2HB GLU 59 -12.369 -7.592 1.662 298 2HB GLU 59 1HB GLU 59 -11.234 -7.010 0.448 299 1HG GLU 59 2HG GLU 59 -9.442 -8.157 1.364 300 2HG GLU 59 1HG GLU 59 -10.207 -8.285 2.949 301 H THR 60 H THR 60 -10.084 -4.481 0.539 302 HA THR 60 HA THR 60 -7.389 -4.942 0.939 303 HB THR 60 HB THR 60 -8.611 -2.290 0.132 304 HG1 THR 60 HG1 THR 60 -9.407 -3.875 -1.251 305 1HG2 THR 60 2HG2 THR 60 -6.207 -2.200 0.634 306 2HG2 THR 60 1HG2 THR 60 -5.930 -3.541 -0.484 307 3HG2 THR 60 3HG2 THR 60 -6.515 -1.989 -1.094 308 H ALA 61 H ALA 61 -9.536 -2.633 2.484 309 HA ALA 61 HA ALA 61 -7.695 -1.311 4.133 310 1HB ALA 61 1HB ALA 61 -10.618 -1.949 4.561 311 2HB ALA 61 3HB ALA 61 -9.690 -0.747 5.478 312 3HB ALA 61 2HB ALA 61 -9.959 -0.518 3.746 313 H ARG 62 H ARG 62 -9.808 -4.102 4.833 314 HA ARG 62 HA ARG 62 -9.058 -4.428 7.523 315 1HB ARG 62 2HB ARG 62 -11.068 -5.463 6.727 316 2HB ARG 62 1HB ARG 62 -10.191 -6.365 5.502 317 1HG ARG 62 2HG ARG 62 -10.838 -7.835 7.291 318 2HG ARG 62 1HG ARG 62 -9.084 -7.662 7.272 319 1HD ARG 62 2HD ARG 62 -9.253 -6.009 9.090 320 2HD ARG 62 1HD ARG 62 -11.000 -6.249 9.126 321 HE ARG 62 HE ARG 62 -9.560 -8.704 9.427 322 1HH1 ARG 62 1HH1 ARG 62 -10.738 -5.881 11.154 323 2HH1 ARG 62 2HH1 ARG 62 -10.742 -6.686 12.696 324 1HH2 ARG 62 1HH2 ARG 62 -9.575 -9.750 11.454 325 2HH2 ARG 62 2HH2 ARG 62 -10.101 -8.878 12.865 326 H ARG 63 H ARG 63 -7.814 -5.807 4.552 327 HA ARG 63 HA ARG 63 -5.952 -7.578 5.793 328 1HB ARG 63 2HB ARG 63 -7.013 -7.727 3.479 329 2HB ARG 63 1HB ARG 63 -5.860 -6.501 2.981 330 1HG ARG 63 2HG ARG 63 -4.217 -7.986 2.781 331 2HG ARG 63 1HG ARG 63 -4.613 -8.767 4.318 332 1HD ARG 63 2HD ARG 63 -6.237 -10.132 3.337 333 2HD ARG 63 1HD ARG 63 -6.343 -9.117 1.904 334 HE ARG 63 HE ARG 63 -4.310 -10.052 1.128 335 1HH1 ARG 63 1HH1 ARG 63 -5.523 -11.534 4.047 336 2HH1 ARG 63 2HH1 ARG 63 -4.709 -13.048 3.786 337 1HH2 ARG 63 1HH2 ARG 63 -3.196 -12.043 0.781 338 2HH2 ARG 63 2HH2 ARG 63 -3.374 -13.339 1.927 339 H LEU 64 H LEU 64 -5.995 -4.248 5.073 340 HA LEU 64 HA LEU 64 -3.098 -3.941 5.193 341 1HB LEU 64 2HB LEU 64 -5.398 -2.280 4.380 342 2HB LEU 64 1HB LEU 64 -4.091 -1.411 5.157 343 HG LEU 64 HG LEU 64 -4.023 -1.480 2.624 344 1HD1 LEU 64 1HD1 LEU 64 -2.067 -0.936 4.013 345 2HD1 LEU 64 3HD1 LEU 64 -1.671 -2.650 4.137 346 3HD1 LEU 64 2HD1 LEU 64 -1.600 -1.838 2.573 347 1HD2 LEU 64 3HD2 LEU 64 -3.299 -4.363 3.175 348 2HD2 LEU 64 2HD2 LEU 64 -4.710 -3.781 2.292 349 3HD2 LEU 64 1HD2 LEU 64 -3.094 -3.539 1.631 350 H ASN 65 H ASN 65 -5.498 -4.339 7.378 351 HA ASN 65 HA ASN 65 -5.793 -3.918 9.598 352 1HB ASN 65 2HB ASN 65 -2.957 -2.837 9.552 353 2HB ASN 65 1HB ASN 65 -3.868 -3.314 10.978 354 1HD2 ASN 65 1HD2 ASN 65 -4.977 -5.671 9.526 355 2HD2 ASN 65 2HD2 ASN 65 -3.690 -6.820 9.501 356 H MET 66 H MET 66 -6.416 -2.011 7.541 357 HA MET 66 HA MET 66 -6.098 0.568 8.937 358 1HB MET 66 2HB MET 66 -5.728 -0.220 6.092 359 2HB MET 66 1HB MET 66 -6.440 1.355 6.410 360 1HG MET 66 2HG MET 66 -4.539 2.184 7.349 361 2HG MET 66 1HG MET 66 -3.945 0.595 7.827 362 1HE MET 66 2HE MET 66 -4.922 2.677 4.628 363 2HE MET 66 1HE MET 66 -4.045 1.775 3.386 364 3HE MET 66 3HE MET 66 -5.371 1.009 4.259 365 H HIS 67 H HIS 67 -7.716 2.078 8.666 366 HA HIS 67 HA HIS 67 -10.370 1.032 8.589 367 1HB HIS 67 2HB HIS 67 -9.456 2.995 9.960 368 2HB HIS 67 1HB HIS 67 -9.558 3.934 8.477 369 HD1 HIS 67 HD1 HIS 67 -11.880 1.816 10.624 370 HD2 HIS 67 HD2 HIS 67 -11.942 5.195 8.198 371 HE1 HIS 67 HE1 HIS 67 -14.213 2.743 10.802 372 HE2 HIS 67 HE2 HIS 67 -14.166 4.893 9.488 373 H ARG 68 H ARG 68 -12.018 1.707 7.047 374 HA ARG 68 HA ARG 68 -11.300 1.178 4.425 375 1HB ARG 68 2HB ARG 68 -13.619 1.158 5.651 376 2HB ARG 68 1HB ARG 68 -13.751 2.795 5.022 377 1HG ARG 68 2HG ARG 68 -13.158 0.439 3.255 378 2HG ARG 68 1HG ARG 68 -14.800 0.938 3.654 379 1HD ARG 68 2HD ARG 68 -12.748 2.748 2.395 380 2HD ARG 68 1HD ARG 68 -13.935 1.819 1.482 381 HE ARG 68 HE ARG 68 -14.559 4.012 3.359 382 1HH1 ARG 68 1HH1 ARG 68 -15.407 1.915 0.697 383 2HH1 ARG 68 2HH1 ARG 68 -16.847 2.786 0.276 384 1HH2 ARG 68 1HH2 ARG 68 -16.458 5.185 2.819 385 2HH2 ARG 68 2HH2 ARG 68 -17.454 4.644 1.509 386 H ARG 69 H ARG 69 -11.834 4.314 5.982 387 HA ARG 69 HA ARG 69 -11.599 5.863 3.628 388 1HB ARG 69 2HB ARG 69 -12.615 6.538 5.849 389 2HB ARG 69 1HB ARG 69 -10.965 6.833 6.388 390 1HG ARG 69 2HG ARG 69 -10.639 8.552 4.836 391 2HG ARG 69 1HG ARG 69 -12.055 8.080 3.890 392 1HD ARG 69 2HD ARG 69 -12.043 9.253 6.654 393 2HD ARG 69 1HD ARG 69 -12.550 10.052 5.169 394 HE ARG 69 HE ARG 69 -14.183 7.954 5.198 395 1HH1 ARG 69 1HH1 ARG 69 -13.316 10.204 7.735 396 2HH1 ARG 69 2HH1 ARG 69 -14.840 10.058 8.561 397 1HH2 ARG 69 1HH2 ARG 69 -16.178 7.735 6.279 398 2HH2 ARG 69 2HH2 ARG 69 -16.471 8.644 7.736 399 H THR 70 H THR 70 -9.260 4.692 5.977 400 HA THR 70 HA THR 70 -7.028 6.193 5.199 401 HB THR 70 HB THR 70 -6.902 3.314 6.078 402 HG1 THR 70 HG1 THR 70 -7.393 5.673 7.622 403 1HG2 THR 70 3HG2 THR 70 -4.790 4.367 5.427 404 2HG2 THR 70 2HG2 THR 70 -5.098 5.691 6.551 405 3HG2 THR 70 1HG2 THR 70 -4.832 4.059 7.165 406 H LEU 71 H LEU 71 -8.163 3.029 4.114 407 HA LEU 71 HA LEU 71 -6.220 2.550 2.142 408 1HB LEU 71 2HB LEU 71 -8.155 1.101 3.247 409 2HB LEU 71 1HB LEU 71 -9.049 1.617 1.836 410 HG LEU 71 HG LEU 71 -8.137 -0.581 1.483 411 1HD1 LEU 71 2HD1 LEU 71 -6.655 1.480 -0.128 412 2HD1 LEU 71 1HD1 LEU 71 -6.880 -0.211 -0.575 413 3HD1 LEU 71 3HD1 LEU 71 -8.275 0.863 -0.455 414 1HD2 LEU 71 3HD2 LEU 71 -6.254 -0.386 3.067 415 2HD2 LEU 71 2HD2 LEU 71 -5.777 -1.061 1.510 416 3HD2 LEU 71 1HD2 LEU 71 -5.407 0.621 1.895 417 H GLN 72 H GLN 72 -9.366 4.116 2.041 418 HA GLN 72 HA GLN 72 -9.571 4.461 -0.760 419 1HB GLN 72 2HB GLN 72 -11.475 4.549 0.817 420 2HB GLN 72 1HB GLN 72 -10.850 6.061 1.458 421 1HG GLN 72 2HG GLN 72 -11.163 7.122 -0.711 422 2HG GLN 72 1HG GLN 72 -11.770 5.601 -1.370 423 1HE2 GLN 72 1HE2 GLN 72 -13.769 6.478 -1.880 424 2HE2 GLN 72 2HE2 GLN 72 -14.935 6.894 -0.674 425 H ARG 73 H ARG 73 -8.469 6.670 1.795 426 HA ARG 73 HA ARG 73 -7.972 8.852 0.094 427 1HB ARG 73 2HB ARG 73 -8.111 9.015 2.565 428 2HB ARG 73 1HB ARG 73 -6.584 8.153 2.692 429 1HG ARG 73 2HG ARG 73 -6.634 10.603 1.029 430 2HG ARG 73 1HG ARG 73 -6.738 10.797 2.779 431 1HD ARG 73 2HD ARG 73 -4.652 9.737 3.118 432 2HD ARG 73 1HD ARG 73 -4.614 9.120 1.467 433 HE ARG 73 HE ARG 73 -4.686 11.828 1.172 434 1HH1 ARG 73 1HH1 ARG 73 -2.619 9.670 3.008 435 2HH1 ARG 73 2HH1 ARG 73 -1.181 10.608 2.725 436 1HH2 ARG 73 1HH2 ARG 73 -2.810 13.065 0.816 437 2HH2 ARG 73 2HH2 ARG 73 -1.293 12.553 1.508 438 H ILE 74 H ILE 74 -6.045 6.070 0.991 439 HA ILE 74 HA ILE 74 -3.624 6.928 -0.212 440 HB ILE 74 HB ILE 74 -4.666 4.227 0.602 441 1HG1 ILE 74 2HG1 ILE 74 -2.372 5.862 1.695 442 2HG1 ILE 74 1HG1 ILE 74 -4.022 6.000 2.294 443 1HG2 ILE 74 1HG2 ILE 74 -3.125 4.036 -1.355 444 2HG2 ILE 74 3HG2 ILE 74 -1.863 4.781 -0.368 445 3HG2 ILE 74 2HG2 ILE 74 -2.566 3.228 0.105 446 1HD1 ILE 74 1HD1 ILE 74 -2.352 3.501 2.327 447 2HD1 ILE 74 3HD1 ILE 74 -2.666 4.560 3.703 448 3HD1 ILE 74 2HD1 ILE 74 -3.994 3.669 2.957 449 H LEU 75 H LEU 75 -6.225 4.754 -1.344 450 HA LEU 75 HA LEU 75 -5.251 4.261 -3.928 451 1HB LEU 75 2HB LEU 75 -8.123 4.616 -3.046 452 2HB LEU 75 1HB LEU 75 -7.616 3.901 -4.560 453 HG LEU 75 HG LEU 75 -7.036 2.751 -1.832 454 1HD1 LEU 75 3HD1 LEU 75 -9.081 1.969 -3.907 455 2HD1 LEU 75 2HD1 LEU 75 -8.724 1.076 -2.429 456 3HD1 LEU 75 1HD1 LEU 75 -9.414 2.697 -2.334 457 1HD2 LEU 75 1HD2 LEU 75 -6.592 1.681 -4.618 458 2HD2 LEU 75 3HD2 LEU 75 -5.356 2.102 -3.433 459 3HD2 LEU 75 2HD2 LEU 75 -6.431 0.736 -3.138 460 H ALA 76 H ALA 76 -7.176 6.878 -2.607 461 HA ALA 76 HA ALA 76 -7.732 8.106 -5.126 462 1HB ALA 76 2HB ALA 76 -9.026 9.614 -3.905 463 2HB ALA 76 1HB ALA 76 -9.126 8.111 -2.976 464 3HB ALA 76 3HB ALA 76 -8.053 9.412 -2.448 465 H LYS 77 H LYS 77 -4.980 8.022 -3.274 466 HA LYS 77 HA LYS 77 -4.071 10.715 -3.738 467 1HB LYS 77 2HB LYS 77 -3.313 9.150 -1.864 468 2HB LYS 77 1HB LYS 77 -2.338 8.348 -3.089 469 1HG LYS 77 2HG LYS 77 -1.659 10.955 -3.476 470 2HG LYS 77 1HG LYS 77 -1.924 10.904 -1.731 471 1HD LYS 77 2HD LYS 77 -0.153 9.040 -3.289 472 2HD LYS 77 1HD LYS 77 0.405 10.415 -2.337 473 1HE LYS 77 2HE LYS 77 -0.431 9.396 -0.309 474 2HE LYS 77 1HE LYS 77 -1.135 8.069 -1.230 475 1HZ LYS 77 1HZ LYS 77 1.147 7.505 -1.962 476 2HZ LYS 77 3HZ LYS 77 1.754 8.675 -0.895 477 3HZ LYS 77 2HZ LYS 77 0.912 7.334 -0.292 478 H ARG 78 H ARG 78 -4.066 7.704 -5.449 479 HA ARG 78 HA ARG 78 -1.979 8.490 -7.269 480 1HB ARG 78 2HB ARG 78 -3.783 6.121 -7.083 481 2HB ARG 78 1HB ARG 78 -2.868 6.431 -8.557 482 1HG ARG 78 2HG ARG 78 -0.796 6.415 -7.307 483 2HG ARG 78 1HG ARG 78 -1.682 6.176 -5.801 484 1HD ARG 78 2HD ARG 78 -0.770 4.087 -6.565 485 2HD ARG 78 1HD ARG 78 -2.527 4.054 -6.654 486 HE ARG 78 HE ARG 78 -2.183 4.561 -9.111 487 1HH1 ARG 78 1HH1 ARG 78 0.179 2.804 -7.197 488 2HH1 ARG 78 2HH1 ARG 78 0.790 1.901 -8.549 489 1HH2 ARG 78 1HH2 ARG 78 -1.400 3.385 -10.876 490 2HH2 ARG 78 2HH2 ARG 78 -0.115 2.237 -10.661 491 H SER 79 H SER 79 -2.958 10.516 -7.798 492 HA SER 79 HA SER 79 -4.510 10.440 -10.215 493 1HB SER 79 2HB SER 79 -5.653 11.713 -7.702 494 2HB SER 79 1HB SER 79 -6.310 11.930 -9.323 495 HG SER 79 HG SER 79 -5.980 9.298 -8.634 496 HA PRO 80 HA PRO 80 -2.396 14.387 -10.817 497 1HB PRO 80 2HB PRO 80 -4.269 16.101 -11.729 498 2HB PRO 80 1HB PRO 80 -3.705 14.732 -12.701 499 1HG PRO 80 2HG PRO 80 -6.117 14.896 -10.914 500 2HG PRO 80 1HG PRO 80 -6.048 14.400 -12.621 501 1HD PRO 80 2HD PRO 80 -6.094 12.575 -10.698 502 2HD PRO 80 1HD PRO 80 -5.012 12.366 -12.095 503 H ARG 81 H ARG 81 -3.252 13.925 -8.151 504 HA ARG 81 HA ARG 81 -4.296 16.447 -7.154 505 1HB ARG 81 2HB ARG 81 -3.452 13.943 -5.682 506 2HB ARG 81 1HB ARG 81 -4.263 15.328 -4.967 507 1HG ARG 81 2HG ARG 81 -5.497 13.775 -7.213 508 2HG ARG 81 1HG ARG 81 -5.666 13.274 -5.532 509 1HD ARG 81 2HD ARG 81 -7.585 14.579 -6.170 510 2HD ARG 81 1HD ARG 81 -6.629 15.479 -4.998 511 HE ARG 81 HE ARG 81 -5.768 16.353 -7.455 512 1HH1 ARG 81 1HH1 ARG 81 -8.846 16.164 -5.810 513 2HH1 ARG 81 2HH1 ARG 81 -9.482 17.609 -6.541 514 1HH2 ARG 81 1HH2 ARG 81 -6.591 18.268 -8.432 515 2HH2 ARG 81 2HH2 ARG 81 -8.192 18.814 -8.016 No H/Q in entry = 515 Start of MODEL 4 1 H1 LEU 22 2H LEU 22 -4.926 -16.892 10.752 2 H2 LEU 22 1H LEU 22 -4.623 -18.065 9.565 3 H3 LEU 22 3H LEU 22 -6.199 -17.479 9.806 4 HA LEU 22 HA LEU 22 -6.349 -18.482 11.934 5 1HB LEU 22 2HB LEU 22 -5.163 -20.419 9.938 6 2HB LEU 22 1HB LEU 22 -6.038 -20.882 11.381 7 HG LEU 22 HG LEU 22 -8.000 -19.538 10.376 8 1HD1 LEU 22 2HD1 LEU 22 -6.755 -18.431 8.605 9 2HD1 LEU 22 1HD1 LEU 22 -6.358 -19.994 7.892 10 3HD1 LEU 22 3HD1 LEU 22 -8.032 -19.445 7.939 11 1HD2 LEU 22 2HD2 LEU 22 -7.983 -21.954 10.637 12 2HD2 LEU 22 1HD2 LEU 22 -8.735 -21.493 9.109 13 3HD2 LEU 22 3HD2 LEU 22 -7.088 -22.126 9.128 14 H ALA 23 H ALA 23 -3.166 -19.076 10.473 15 HA ALA 23 HA ALA 23 -2.013 -20.279 12.747 16 1HB ALA 23 3HB ALA 23 -0.642 -18.814 10.494 17 2HB ALA 23 1HB ALA 23 -1.101 -20.519 10.486 18 3HB ALA 23 2HB ALA 23 0.116 -19.939 11.626 19 H LYS 24 H LYS 24 -1.848 -19.315 14.643 20 HA LYS 24 HA LYS 24 -1.057 -16.488 14.712 21 1HB LYS 24 2HB LYS 24 -2.527 -18.154 16.765 22 2HB LYS 24 1HB LYS 24 -1.997 -16.497 17.029 23 1HG LYS 24 2HG LYS 24 -3.404 -15.746 15.179 24 2HG LYS 24 1HG LYS 24 -3.932 -17.406 14.911 25 1HD LYS 24 2HD LYS 24 -4.328 -15.932 17.508 26 2HD LYS 24 1HD LYS 24 -5.529 -15.970 16.216 27 1HE LYS 24 2HE LYS 24 -4.412 -18.389 17.635 28 2HE LYS 24 1HE LYS 24 -5.975 -17.646 17.969 29 1HZ LYS 24 2HZ LYS 24 -6.509 -18.087 15.553 30 2HZ LYS 24 1HZ LYS 24 -5.125 -19.061 15.502 31 3HZ LYS 24 3HZ LYS 24 -6.398 -19.454 16.551 32 H GLY 25 H GLY 25 1.052 -16.335 14.909 33 1HA GLY 25 1HA GLY 25 2.508 -18.339 16.497 34 2HA GLY 25 2HA GLY 25 2.760 -16.627 16.812 35 H GLU 26 H GLU 26 2.987 -19.117 14.309 36 HA GLU 26 HA GLU 26 5.462 -18.219 13.310 37 1HB GLU 26 2HB GLU 26 4.965 -19.726 11.372 38 2HB GLU 26 1HB GLU 26 4.825 -20.501 12.944 39 1HG GLU 26 2HG GLU 26 2.391 -20.251 12.841 40 2HG GLU 26 1HG GLU 26 2.544 -19.494 11.256 41 H SER 27 H SER 27 2.150 -17.549 12.397 42 HA SER 27 HA SER 27 3.116 -15.526 10.507 43 1HB SER 27 2HB SER 27 0.296 -16.583 10.874 44 2HB SER 27 1HB SER 27 0.848 -15.488 9.605 45 HG SER 27 HG SER 27 2.378 -17.271 9.073 46 H LEU 28 H LEU 28 3.718 -13.947 11.945 47 HA LEU 28 HA LEU 28 1.737 -13.048 13.914 48 1HB LEU 28 2HB LEU 28 4.139 -13.670 14.535 49 2HB LEU 28 1HB LEU 28 4.625 -12.211 13.700 50 HG LEU 28 HG LEU 28 2.671 -12.134 15.988 51 1HD1 LEU 28 3HD1 LEU 28 5.678 -11.959 16.107 52 2HD1 LEU 28 2HD1 LEU 28 4.570 -11.630 17.441 53 3HD1 LEU 28 1HD1 LEU 28 4.683 -13.257 16.770 54 1HD2 LEU 28 1HD2 LEU 28 2.836 -10.132 14.574 55 2HD2 LEU 28 3HD2 LEU 28 3.457 -9.837 16.197 56 3HD2 LEU 28 2HD2 LEU 28 4.576 -10.082 14.856 57 HA PRO 29 HA PRO 29 0.214 -9.643 11.499 58 1HB PRO 29 2HB PRO 29 0.736 -8.402 14.178 59 2HB PRO 29 1HB PRO 29 -0.653 -8.202 13.103 60 1HG PRO 29 2HG PRO 29 -0.645 -9.907 15.222 61 2HG PRO 29 1HG PRO 29 -1.612 -10.163 13.759 62 1HD PRO 29 2HD PRO 29 0.640 -11.705 14.726 63 2HD PRO 29 1HD PRO 29 -0.425 -12.030 13.347 64 HA PRO 30 HA PRO 30 4.303 -7.834 10.685 65 1HB PRO 30 2HB PRO 30 3.745 -7.009 8.178 66 2HB PRO 30 1HB PRO 30 4.132 -8.692 8.552 67 1HG PRO 30 2HG PRO 30 1.467 -7.411 8.091 68 2HG PRO 30 1HG PRO 30 2.067 -8.984 7.537 69 1HD PRO 30 2HD PRO 30 0.421 -8.663 9.697 70 2HD PRO 30 1HD PRO 30 1.558 -10.013 9.520 71 HA PRO 31 HA PRO 31 3.073 -3.727 11.996 72 1HB PRO 31 2HB PRO 31 5.925 -3.168 11.387 73 2HB PRO 31 1HB PRO 31 5.018 -2.890 12.878 74 1HG PRO 31 2HG PRO 31 6.794 -4.873 12.709 75 2HG PRO 31 1HG PRO 31 5.270 -5.079 13.594 76 1HD PRO 31 2HD PRO 31 6.027 -6.062 10.870 77 2HD PRO 31 1HD PRO 31 5.099 -6.876 12.148 78 HA PRO 32 HA PRO 32 2.291 -1.918 7.999 79 1HB PRO 32 2HB PRO 32 2.009 0.568 9.603 80 2HB PRO 32 1HB PRO 32 0.875 -0.176 8.470 81 1HG PRO 32 2HG PRO 32 0.458 -0.309 11.095 82 2HG PRO 32 1HG PRO 32 0.089 -1.686 10.040 83 1HD PRO 32 2HD PRO 32 2.415 -1.271 11.874 84 2HD PRO 32 1HD PRO 32 1.495 -2.751 11.532 85 H GLU 33 H GLU 33 4.169 0.011 10.332 86 HA GLU 33 HA GLU 33 5.779 1.064 8.154 87 1HB GLU 33 2HB GLU 33 6.849 2.438 9.955 88 2HB GLU 33 1HB GLU 33 5.124 2.707 9.758 89 1HG GLU 33 2HG GLU 33 4.629 1.441 11.714 90 2HG GLU 33 1HG GLU 33 6.302 0.900 11.849 91 H ASN 34 H ASN 34 6.783 -0.886 7.563 92 HA ASN 34 HA ASN 34 8.414 -2.356 9.411 93 1HB ASN 34 2HB ASN 34 7.339 -3.264 7.276 94 2HB ASN 34 1HB ASN 34 8.591 -2.404 6.389 95 1HD2 ASN 34 1HD2 ASN 34 9.566 -4.198 5.554 96 2HD2 ASN 34 2HD2 ASN 34 10.417 -5.359 6.516 97 HA PRO 35 HA PRO 35 12.102 0.174 9.676 98 1HB PRO 35 2HB PRO 35 13.721 -2.148 9.120 99 2HB PRO 35 1HB PRO 35 13.495 -1.301 10.649 100 1HG PRO 35 2HG PRO 35 12.163 -3.721 9.632 101 2HG PRO 35 1HG PRO 35 12.362 -3.162 11.302 102 1HD PRO 35 2HD PRO 35 9.978 -3.104 10.077 103 2HD PRO 35 1HD PRO 35 10.472 -1.822 11.205 104 H MET 36 H MET 36 11.800 -2.211 7.067 105 HA MET 36 HA MET 36 13.741 -1.114 5.338 106 1HB MET 36 2HB MET 36 12.754 -3.399 5.134 107 2HB MET 36 1HB MET 36 11.249 -2.663 4.591 108 1HG MET 36 2HG MET 36 12.380 -1.748 2.644 109 2HG MET 36 1HG MET 36 13.908 -2.437 3.193 110 1HE MET 36 3HE MET 36 14.284 -5.060 3.497 111 2HE MET 36 2HE MET 36 12.768 -5.248 4.381 112 3HE MET 36 1HE MET 36 13.118 -6.287 2.999 113 H SER 37 H SER 37 10.207 -0.746 5.397 114 HA SER 37 HA SER 37 10.364 1.947 4.386 115 1HB SER 37 2HB SER 37 9.027 -0.230 2.748 116 2HB SER 37 1HB SER 37 8.883 1.499 2.427 117 HG SER 37 HG SER 37 11.486 0.722 2.645 118 H ALA 38 H ALA 38 8.576 3.112 5.069 119 HA ALA 38 HA ALA 38 6.763 1.637 6.796 120 1HB ALA 38 3HB ALA 38 7.052 4.612 6.379 121 2HB ALA 38 2HB ALA 38 6.055 3.831 7.607 122 3HB ALA 38 1HB ALA 38 7.810 3.672 7.664 123 H ASP 39 H ASP 39 6.435 4.147 4.287 124 HA ASP 39 HA ASP 39 3.651 3.443 3.958 125 1HB ASP 39 2HB ASP 39 5.410 5.583 2.812 126 2HB ASP 39 1HB ASP 39 3.819 5.259 2.127 127 H ARG 40 H ARG 40 6.685 2.975 2.326 128 HA ARG 40 HA ARG 40 5.683 2.179 -0.160 129 1HB ARG 40 2HB ARG 40 8.046 2.674 0.169 130 2HB ARG 40 1HB ARG 40 8.206 1.270 1.215 131 1HG ARG 40 2HG ARG 40 7.570 -0.168 -0.706 132 2HG ARG 40 1HG ARG 40 7.579 1.271 -1.727 133 1HD ARG 40 2HD ARG 40 9.934 1.636 -1.190 134 2HD ARG 40 1HD ARG 40 9.927 0.195 -0.172 135 HE ARG 40 HE ARG 40 9.121 -0.184 -2.938 136 1HH1 ARG 40 1HH1 ARG 40 11.702 -0.397 -0.570 137 2HH1 ARG 40 2HH1 ARG 40 12.672 -1.458 -1.544 138 1HH2 ARG 40 1HH2 ARG 40 10.387 -1.547 -4.209 139 2HH2 ARG 40 2HH2 ARG 40 11.916 -2.124 -3.621 140 H VAL 41 H VAL 41 6.427 0.306 2.749 141 HA VAL 41 HA VAL 41 5.726 -2.209 1.657 142 HB VAL 41 HB VAL 41 5.884 -1.280 4.529 143 1HG1 VAL 41 3HG1 VAL 41 5.577 -4.087 3.474 144 2HG1 VAL 41 2HG1 VAL 41 5.909 -3.650 5.149 145 3HG1 VAL 41 1HG1 VAL 41 4.380 -3.185 4.403 146 1HG2 VAL 41 2HG2 VAL 41 7.771 -2.889 2.817 147 2HG2 VAL 41 1HG2 VAL 41 8.008 -1.235 3.380 148 3HG2 VAL 41 3HG2 VAL 41 7.984 -2.563 4.537 149 H ARG 42 H ARG 42 3.896 0.281 3.380 150 HA ARG 42 HA ARG 42 1.540 -1.226 3.729 151 1HB ARG 42 2HB ARG 42 1.952 1.753 3.497 152 2HB ARG 42 1HB ARG 42 0.388 1.026 3.834 153 1HG ARG 42 2HG ARG 42 1.590 -0.113 5.806 154 2HG ARG 42 1HG ARG 42 2.837 1.110 5.547 155 1HD ARG 42 2HD ARG 42 -0.087 1.633 6.082 156 2HD ARG 42 1HD ARG 42 1.226 1.818 7.241 157 HE ARG 42 HE ARG 42 1.832 3.417 5.045 158 1HH1 ARG 42 1HH1 ARG 42 -0.671 3.207 7.494 159 2HH1 ARG 42 2HH1 ARG 42 -0.921 4.928 7.554 160 1HH2 ARG 42 1HH2 ARG 42 1.476 5.700 5.117 161 2HH2 ARG 42 2HH2 ARG 42 0.271 6.326 6.214 162 H TRP 43 H TRP 43 2.504 1.041 1.153 163 HA TRP 43 HA TRP 43 0.138 0.815 -0.374 164 1HB TRP 43 2HB TRP 43 2.534 2.238 -0.566 165 2HB TRP 43 1HB TRP 43 2.553 1.197 -1.982 166 HD1 TRP 43 HD1 TRP 43 2.087 4.487 -1.826 167 HE1 TRP 43 HE1 TRP 43 0.083 5.434 -3.123 168 HE3 TRP 43 HE3 TRP 43 -0.707 0.237 -2.247 169 HZ2 TRP 43 HZ2 TRP 43 -2.359 4.520 -4.162 170 HZ3 TRP 43 HZ3 TRP 43 -2.866 0.364 -3.392 171 HH2 TRP 43 HH2 TRP 43 -3.672 2.456 -4.312 172 H GLU 44 H GLU 44 3.195 -0.970 -0.461 173 HA GLU 44 HA GLU 44 2.677 -2.625 -2.640 174 1HB GLU 44 2HB GLU 44 4.863 -2.445 -1.538 175 2HB GLU 44 1HB GLU 44 4.219 -3.235 -0.108 176 1HG GLU 44 2HG GLU 44 3.897 -4.771 -2.574 177 2HG GLU 44 1HG GLU 44 5.571 -4.467 -2.114 178 H HIS 45 H HIS 45 1.601 -2.813 0.694 179 HA HIS 45 HA HIS 45 0.510 -5.459 0.467 180 1HB HIS 45 2HB HIS 45 1.278 -4.209 2.609 181 2HB HIS 45 1HB HIS 45 -0.285 -3.408 2.536 182 HD1 HIS 45 HD1 HIS 45 1.282 -6.095 4.160 183 HD2 HIS 45 HD2 HIS 45 -2.450 -5.608 2.355 184 HE1 HIS 45 HE1 HIS 45 -0.190 -7.882 5.143 185 HE2 HIS 45 HE2 HIS 45 -2.483 -7.405 4.223 186 H ILE 46 H ILE 46 -0.680 -2.158 0.179 187 HA ILE 46 HA ILE 46 -3.439 -2.725 0.073 188 HB ILE 46 HB ILE 46 -2.136 -0.492 -1.478 189 1HG1 ILE 46 2HG1 ILE 46 -2.804 -0.538 1.469 190 2HG1 ILE 46 1HG1 ILE 46 -1.187 -0.448 0.773 191 1HG2 ILE 46 2HG2 ILE 46 -4.533 -0.832 -1.798 192 2HG2 ILE 46 1HG2 ILE 46 -4.779 -0.698 -0.051 193 3HG2 ILE 46 3HG2 ILE 46 -4.188 0.692 -0.971 194 1HD1 ILE 46 3HD1 ILE 46 -1.994 1.689 -0.369 195 2HD1 ILE 46 2HD1 ILE 46 -3.349 1.613 0.759 196 3HD1 ILE 46 1HD1 ILE 46 -1.704 1.744 1.379 197 H GLN 47 H GLN 47 -0.905 -2.781 -2.339 198 HA GLN 47 HA GLN 47 -2.647 -2.941 -4.596 199 1HB GLN 47 2HB GLN 47 0.303 -3.477 -4.260 200 2HB GLN 47 1HB GLN 47 -0.519 -3.655 -5.801 201 1HG GLN 47 2HG GLN 47 -0.453 -1.103 -4.211 202 2HG GLN 47 1HG GLN 47 0.683 -1.503 -5.496 203 1HE2 GLN 47 1HE2 GLN 47 -1.183 0.722 -5.350 204 2HE2 GLN 47 2HE2 GLN 47 -2.219 0.574 -6.730 205 H ARG 48 H ARG 48 -0.666 -5.322 -2.846 206 HA ARG 48 HA ARG 48 -1.352 -7.509 -4.451 207 1HB ARG 48 2HB ARG 48 -0.628 -8.915 -2.486 208 2HB ARG 48 1HB ARG 48 0.555 -7.762 -3.086 209 1HG ARG 48 2HG ARG 48 0.802 -7.425 -0.874 210 2HG ARG 48 1HG ARG 48 -0.499 -6.273 -1.173 211 1HD ARG 48 2HD ARG 48 -1.022 -7.572 0.781 212 2HD ARG 48 1HD ARG 48 -2.131 -7.993 -0.526 213 HE ARG 48 HE ARG 48 -1.217 -10.112 -0.612 214 1HH1 ARG 48 1HH1 ARG 48 0.823 -8.112 1.449 215 2HH1 ARG 48 2HH1 ARG 48 1.613 -9.474 2.170 216 1HH2 ARG 48 1HH2 ARG 48 -0.158 -11.873 0.355 217 2HH2 ARG 48 2HH2 ARG 48 1.081 -11.591 1.549 218 H ILE 49 H ILE 49 -3.090 -6.037 -1.799 219 HA ILE 49 HA ILE 49 -4.945 -8.257 -1.702 220 HB ILE 49 HB ILE 49 -4.500 -7.233 0.403 221 1HG1 ILE 49 2HG1 ILE 49 -6.725 -6.801 1.193 222 2HG1 ILE 49 1HG1 ILE 49 -7.259 -6.332 -0.417 223 1HG2 ILE 49 3HG2 ILE 49 -3.827 -5.041 -0.432 224 2HG2 ILE 49 2HG2 ILE 49 -5.524 -4.662 -0.741 225 3HG2 ILE 49 1HG2 ILE 49 -4.972 -4.935 0.910 226 1HD1 ILE 49 3HD1 ILE 49 -6.189 -9.071 -0.018 227 2HD1 ILE 49 2HD1 ILE 49 -7.811 -8.698 0.567 228 3HD1 ILE 49 1HD1 ILE 49 -7.412 -8.492 -1.141 229 H TYR 50 H TYR 50 -4.949 -4.900 -2.854 230 HA TYR 50 HA TYR 50 -7.664 -4.663 -3.430 231 1HB TYR 50 2HB TYR 50 -5.785 -2.891 -3.483 232 2HB TYR 50 1HB TYR 50 -5.516 -3.420 -5.139 233 HD1 TYR 50 HD1 TYR 50 -8.182 -2.141 -2.878 234 HD2 TYR 50 HD2 TYR 50 -6.745 -2.448 -6.871 235 HE1 TYR 50 HE1 TYR 50 -9.943 -0.598 -3.623 236 HE2 TYR 50 HE2 TYR 50 -8.505 -0.903 -7.628 237 HH TYR 50 HH TYR 50 -10.274 1.025 -5.566 238 H GLU 51 H GLU 51 -5.024 -5.983 -5.351 239 HA GLU 51 HA GLU 51 -6.583 -6.398 -7.696 240 1HB GLU 51 2HB GLU 51 -3.922 -7.522 -6.820 241 2HB GLU 51 1HB GLU 51 -4.631 -7.804 -8.405 242 1HG GLU 51 2HG GLU 51 -4.064 -5.056 -7.325 243 2HG GLU 51 1HG GLU 51 -2.908 -5.982 -8.283 244 H MET 52 H MET 52 -5.743 -8.458 -4.916 245 HA MET 52 HA MET 52 -6.710 -10.826 -6.225 246 1HB MET 52 2HB MET 52 -6.283 -12.010 -4.161 247 2HB MET 52 1HB MET 52 -4.918 -10.979 -4.552 248 1HG MET 52 2HG MET 52 -5.543 -9.406 -2.876 249 2HG MET 52 1HG MET 52 -7.063 -10.240 -2.580 250 1HE MET 52 2HE MET 52 -3.134 -10.646 -2.457 251 2HE MET 52 1HE MET 52 -2.992 -12.205 -1.646 252 3HE MET 52 3HE MET 52 -3.697 -12.112 -3.258 253 H CYS 53 H CYS 53 -8.102 -8.484 -3.996 254 HA CYS 53 HA CYS 53 -10.486 -10.142 -3.715 255 1HB CYS 53 2HB CYS 53 -9.461 -8.794 -1.804 256 2HB CYS 53 1HB CYS 53 -10.096 -7.363 -2.614 257 HG CYS 53 HG CYS 53 -12.708 -9.055 -2.560 258 H ASP 54 H ASP 54 -9.401 -8.461 -6.137 259 HA ASP 54 HA ASP 54 -10.279 -7.457 -7.962 260 1HB ASP 54 2HB ASP 54 -11.732 -9.460 -7.909 261 2HB ASP 54 1HB ASP 54 -12.903 -8.565 -6.946 262 H ARG 55 H ARG 55 -9.693 -5.549 -6.474 263 HA ARG 55 HA ARG 55 -10.029 -3.342 -6.109 264 1HB ARG 55 2HB ARG 55 -12.448 -3.724 -7.872 265 2HB ARG 55 1HB ARG 55 -11.663 -2.190 -7.498 266 1HG ARG 55 2HG ARG 55 -9.590 -3.063 -8.544 267 2HG ARG 55 1HG ARG 55 -10.489 -4.503 -9.020 268 1HD ARG 55 2HD ARG 55 -12.079 -3.004 -10.231 269 2HD ARG 55 1HD ARG 55 -10.982 -1.666 -9.887 270 HE ARG 55 HE ARG 55 -9.754 -3.940 -11.185 271 1HH1 ARG 55 1HH1 ARG 55 -11.284 -0.826 -11.618 272 2HH1 ARG 55 2HH1 ARG 55 -10.703 -0.616 -13.241 273 1HH2 ARG 55 1HH2 ARG 55 -8.995 -3.695 -13.307 274 2HH2 ARG 55 2HH2 ARG 55 -9.386 -2.258 -14.208 275 H ASN 56 H ASN 56 -11.415 -5.387 -4.378 276 HA ASN 56 HA ASN 56 -13.679 -3.860 -3.374 277 1HB ASN 56 2HB ASN 56 -13.894 -6.300 -3.546 278 2HB ASN 56 1HB ASN 56 -12.538 -6.498 -2.443 279 1HD2 ASN 56 1HD2 ASN 56 -13.819 -7.652 -0.993 280 2HD2 ASN 56 2HD2 ASN 56 -14.985 -6.861 0.014 281 H VAL 57 H VAL 57 -13.327 -2.276 -2.013 282 HA VAL 57 HA VAL 57 -10.756 -1.859 -0.860 283 HB VAL 57 HB VAL 57 -13.316 -0.328 -0.376 284 1HG1 VAL 57 1HG1 VAL 57 -10.437 0.466 0.046 285 2HG1 VAL 57 3HG1 VAL 57 -11.833 1.527 0.232 286 3HG1 VAL 57 2HG1 VAL 57 -11.624 0.147 1.308 287 1HG2 VAL 57 2HG2 VAL 57 -11.135 0.087 -2.417 288 2HG2 VAL 57 1HG2 VAL 57 -12.802 -0.398 -2.737 289 3HG2 VAL 57 3HG2 VAL 57 -12.459 1.210 -2.099 290 H SER 58 H SER 58 -13.727 -3.247 0.330 291 HA SER 58 HA SER 58 -13.337 -2.718 3.066 292 1HB SER 58 2HB SER 58 -14.944 -4.604 3.435 293 2HB SER 58 1HB SER 58 -15.517 -3.383 2.299 294 HG SER 58 HG SER 58 -15.902 -5.205 1.223 295 H GLU 59 H GLU 59 -12.547 -5.645 1.154 296 HA GLU 59 HA GLU 59 -11.212 -6.901 3.332 297 1HB GLU 59 2HB GLU 59 -12.072 -8.176 1.379 298 2HB GLU 59 1HB GLU 59 -10.845 -7.424 0.368 299 1HG GLU 59 2HG GLU 59 -10.120 -9.634 0.949 300 2HG GLU 59 1HG GLU 59 -9.091 -8.475 1.786 301 H THR 60 H THR 60 -10.162 -4.836 0.675 302 HA THR 60 HA THR 60 -7.416 -5.068 1.002 303 HB THR 60 HB THR 60 -8.872 -2.505 0.314 304 HG1 THR 60 HG1 THR 60 -9.531 -4.121 -1.121 305 1HG2 THR 60 3HG2 THR 60 -6.469 -2.239 0.819 306 2HG2 THR 60 2HG2 THR 60 -6.097 -3.494 -0.367 307 3HG2 THR 60 1HG2 THR 60 -6.812 -1.968 -0.894 308 H ALA 61 H ALA 61 -9.633 -2.751 2.536 309 HA ALA 61 HA ALA 61 -7.737 -1.519 4.205 310 1HB ALA 61 1HB ALA 61 -10.702 -1.881 4.626 311 2HB ALA 61 3HB ALA 61 -9.669 -0.717 5.461 312 3HB ALA 61 2HB ALA 61 -9.936 -0.571 3.723 313 H ARG 62 H ARG 62 -9.887 -4.298 4.742 314 HA ARG 62 HA ARG 62 -9.320 -4.597 7.501 315 1HB ARG 62 2HB ARG 62 -11.153 -5.687 5.847 316 2HB ARG 62 1HB ARG 62 -10.004 -7.014 5.911 317 1HG ARG 62 2HG ARG 62 -11.329 -5.730 8.295 318 2HG ARG 62 1HG ARG 62 -11.794 -7.262 7.559 319 1HD ARG 62 2HD ARG 62 -9.094 -6.685 8.774 320 2HD ARG 62 1HD ARG 62 -10.412 -7.512 9.602 321 HE ARG 62 HE ARG 62 -10.114 -9.008 7.384 322 1HH1 ARG 62 1HH1 ARG 62 -7.783 -7.776 9.679 323 2HH1 ARG 62 2HH1 ARG 62 -6.712 -9.138 9.542 324 1HH2 ARG 62 1HH2 ARG 62 -8.717 -10.808 7.191 325 2HH2 ARG 62 2HH2 ARG 62 -7.256 -10.882 8.132 326 H ARG 63 H ARG 63 -7.934 -5.975 4.577 327 HA ARG 63 HA ARG 63 -6.130 -7.712 6.002 328 1HB ARG 63 2HB ARG 63 -7.171 -8.176 3.753 329 2HB ARG 63 1HB ARG 63 -6.115 -6.947 3.081 330 1HG ARG 63 2HG ARG 63 -4.207 -8.239 3.400 331 2HG ARG 63 1HG ARG 63 -5.009 -9.300 4.567 332 1HD ARG 63 2HD ARG 63 -6.403 -10.228 2.836 333 2HD ARG 63 1HD ARG 63 -5.765 -9.084 1.662 334 HE ARG 63 HE ARG 63 -3.882 -10.371 1.443 335 1HH1 ARG 63 1HH1 ARG 63 -5.855 -11.564 4.084 336 2HH1 ARG 63 2HH1 ARG 63 -4.964 -13.049 4.241 337 1HH2 ARG 63 1HH2 ARG 63 -2.718 -12.356 1.641 338 2HH2 ARG 63 2HH2 ARG 63 -3.191 -13.488 2.873 339 H LEU 64 H LEU 64 -6.170 -4.462 5.033 340 HA LEU 64 HA LEU 64 -3.293 -4.104 5.300 341 1HB LEU 64 2HB LEU 64 -5.599 -2.413 4.511 342 2HB LEU 64 1HB LEU 64 -4.311 -1.583 5.359 343 HG LEU 64 HG LEU 64 -4.191 -1.498 2.818 344 1HD1 LEU 64 1HD1 LEU 64 -2.256 -1.042 4.259 345 2HD1 LEU 64 3HD1 LEU 64 -1.864 -2.761 4.278 346 3HD1 LEU 64 2HD1 LEU 64 -1.780 -1.855 2.767 347 1HD2 LEU 64 2HD2 LEU 64 -3.518 -4.408 3.216 348 2HD2 LEU 64 1HD2 LEU 64 -4.885 -3.748 2.321 349 3HD2 LEU 64 3HD2 LEU 64 -3.242 -3.496 1.733 350 H ASN 65 H ASN 65 -5.865 -4.568 7.300 351 HA ASN 65 HA ASN 65 -6.333 -4.326 9.491 352 1HB ASN 65 2HB ASN 65 -3.918 -5.191 9.565 353 2HB ASN 65 1HB ASN 65 -3.450 -3.525 9.882 354 1HD2 ASN 65 1HD2 ASN 65 -2.683 -3.952 11.873 355 2HD2 ASN 65 2HD2 ASN 65 -3.681 -4.358 13.225 356 H MET 66 H MET 66 -6.910 -2.247 7.831 357 HA MET 66 HA MET 66 -6.271 0.183 9.333 358 1HB MET 66 2HB MET 66 -4.500 0.082 7.769 359 2HB MET 66 1HB MET 66 -5.558 -0.480 6.486 360 1HG MET 66 2HG MET 66 -6.297 2.129 7.493 361 2HG MET 66 1HG MET 66 -4.660 2.067 6.843 362 1HE MET 66 1HE MET 66 -4.057 1.115 4.556 363 2HE MET 66 3HE MET 66 -4.976 1.773 3.201 364 3HE MET 66 2HE MET 66 -4.376 2.858 4.457 365 H HIS 67 H HIS 67 -7.562 2.006 8.718 366 HA HIS 67 HA HIS 67 -10.311 1.255 8.282 367 1HB HIS 67 2HB HIS 67 -8.851 3.311 9.582 368 2HB HIS 67 1HB HIS 67 -9.933 4.077 8.419 369 HD1 HIS 67 HD1 HIS 67 -11.123 4.993 10.665 370 HD2 HIS 67 HD2 HIS 67 -11.468 0.913 9.922 371 HE1 HIS 67 HE1 HIS 67 -13.006 4.193 12.126 372 HE2 HIS 67 HE2 HIS 67 -13.320 1.767 11.517 373 H ARG 68 H ARG 68 -11.698 2.164 6.661 374 HA ARG 68 HA ARG 68 -10.511 2.171 4.092 375 1HB ARG 68 2HB ARG 68 -13.297 2.785 5.034 376 2HB ARG 68 1HB ARG 68 -12.840 2.987 3.349 377 1HG ARG 68 2HG ARG 68 -13.743 0.867 3.383 378 2HG ARG 68 1HG ARG 68 -12.011 0.555 3.509 379 1HD ARG 68 2HD ARG 68 -13.005 -0.847 5.102 380 2HD ARG 68 1HD ARG 68 -12.364 0.511 6.026 381 HE ARG 68 HE ARG 68 -14.944 1.234 5.487 382 1HH1 ARG 68 1HH1 ARG 68 -13.371 -1.446 7.090 383 2HH1 ARG 68 2HH1 ARG 68 -14.774 -1.890 8.018 384 1HH2 ARG 68 1HH2 ARG 68 -16.786 0.687 6.738 385 2HH2 ARG 68 2HH2 ARG 68 -16.722 -0.678 7.811 386 H ARG 69 H ARG 69 -11.227 4.723 6.319 387 HA ARG 69 HA ARG 69 -11.247 6.914 4.562 388 1HB ARG 69 2HB ARG 69 -10.180 6.757 7.388 389 2HB ARG 69 1HB ARG 69 -10.503 8.248 6.513 390 1HG ARG 69 2HG ARG 69 -12.534 6.167 7.290 391 2HG ARG 69 1HG ARG 69 -12.299 7.740 8.058 392 1HD ARG 69 2HD ARG 69 -12.926 8.870 6.010 393 2HD ARG 69 1HD ARG 69 -13.054 7.328 5.166 394 HE ARG 69 HE ARG 69 -14.753 7.311 7.414 395 1HH1 ARG 69 1HH1 ARG 69 -14.472 8.757 4.223 396 2HH1 ARG 69 2HH1 ARG 69 -16.191 8.969 4.038 397 1HH2 ARG 69 1HH2 ARG 69 -16.988 7.597 7.167 398 2HH2 ARG 69 2HH2 ARG 69 -17.621 8.305 5.714 399 H THR 70 H THR 70 -8.697 4.946 5.818 400 HA THR 70 HA THR 70 -6.572 6.602 4.798 401 HB THR 70 HB THR 70 -6.376 3.786 5.848 402 HG1 THR 70 HG1 THR 70 -6.542 4.562 7.832 403 1HG2 THR 70 3HG2 THR 70 -4.373 4.696 4.720 404 2HG2 THR 70 2HG2 THR 70 -4.402 6.084 5.807 405 3HG2 THR 70 1HG2 THR 70 -4.102 4.468 6.448 406 H LEU 71 H LEU 71 -7.879 3.376 4.093 407 HA LEU 71 HA LEU 71 -6.304 2.712 1.907 408 1HB LEU 71 2HB LEU 71 -8.250 1.486 3.280 409 2HB LEU 71 1HB LEU 71 -9.188 1.960 1.881 410 HG LEU 71 HG LEU 71 -8.489 -0.291 1.563 411 1HD1 LEU 71 1HD1 LEU 71 -8.426 1.083 -0.434 412 2HD1 LEU 71 3HD1 LEU 71 -6.734 1.476 -0.120 413 3HD1 LEU 71 2HD1 LEU 71 -7.202 -0.186 -0.484 414 1HD2 LEU 71 3HD2 LEU 71 -6.615 -0.281 3.168 415 2HD2 LEU 71 2HD2 LEU 71 -6.204 -1.058 1.640 416 3HD2 LEU 71 1HD2 LEU 71 -5.636 0.576 1.981 417 H GLN 72 H GLN 72 -9.490 4.300 1.898 418 HA GLN 72 HA GLN 72 -9.719 4.556 -0.902 419 1HB GLN 72 2HB GLN 72 -11.040 5.900 1.426 420 2HB GLN 72 1HB GLN 72 -11.342 6.470 -0.210 421 1HG GLN 72 2HG GLN 72 -11.770 3.637 0.709 422 2HG GLN 72 1HG GLN 72 -13.029 4.869 0.643 423 1HE2 GLN 72 1HE2 GLN 72 -13.761 5.588 -1.345 424 2HE2 GLN 72 2HE2 GLN 72 -13.465 4.714 -2.807 425 H ARG 73 H ARG 73 -8.538 6.846 1.538 426 HA ARG 73 HA ARG 73 -8.141 8.974 -0.274 427 1HB ARG 73 2HB ARG 73 -8.321 9.326 2.115 428 2HB ARG 73 1HB ARG 73 -6.869 8.380 2.396 429 1HG ARG 73 2HG ARG 73 -5.477 10.048 1.552 430 2HG ARG 73 1HG ARG 73 -6.812 10.878 0.743 431 1HD ARG 73 2HD ARG 73 -7.697 11.663 2.758 432 2HD ARG 73 1HD ARG 73 -6.748 10.530 3.717 433 HE ARG 73 HE ARG 73 -5.143 12.411 2.244 434 1HH1 ARG 73 1HH1 ARG 73 -6.988 11.884 5.179 435 2HH1 ARG 73 2HH1 ARG 73 -6.054 13.014 6.121 436 1HH2 ARG 73 1HH2 ARG 73 -3.908 13.897 3.484 437 2HH2 ARG 73 2HH2 ARG 73 -4.347 14.188 5.144 438 H ILE 74 H ILE 74 -6.139 6.285 0.708 439 HA ILE 74 HA ILE 74 -3.726 7.119 -0.519 440 HB ILE 74 HB ILE 74 -4.796 4.414 0.271 441 1HG1 ILE 74 2HG1 ILE 74 -2.502 6.015 1.403 442 2HG1 ILE 74 1HG1 ILE 74 -4.153 6.145 2.003 443 1HG2 ILE 74 1HG2 ILE 74 -3.208 4.264 -1.675 444 2HG2 ILE 74 3HG2 ILE 74 -1.965 4.937 -0.617 445 3HG2 ILE 74 2HG2 ILE 74 -2.727 3.389 -0.225 446 1HD1 ILE 74 1HD1 ILE 74 -2.488 3.638 1.987 447 2HD1 ILE 74 3HD1 ILE 74 -2.792 4.672 3.384 448 3HD1 ILE 74 2HD1 ILE 74 -4.127 3.801 2.626 449 H LEU 75 H LEU 75 -6.371 5.004 -1.633 450 HA LEU 75 HA LEU 75 -5.363 4.548 -4.243 451 1HB LEU 75 2HB LEU 75 -8.258 4.663 -3.372 452 2HB LEU 75 1HB LEU 75 -7.633 3.875 -4.806 453 HG LEU 75 HG LEU 75 -6.981 3.017 -1.986 454 1HD1 LEU 75 1HD1 LEU 75 -9.357 2.740 -2.459 455 2HD1 LEU 75 3HD1 LEU 75 -8.966 1.877 -3.946 456 3HD1 LEU 75 2HD1 LEU 75 -8.534 1.181 -2.383 457 1HD2 LEU 75 1HD2 LEU 75 -6.508 1.725 -4.668 458 2HD2 LEU 75 3HD2 LEU 75 -5.282 2.383 -3.587 459 3HD2 LEU 75 2HD2 LEU 75 -6.209 0.962 -3.106 460 H ALA 76 H ALA 76 -7.593 6.920 -2.904 461 HA ALA 76 HA ALA 76 -8.348 8.117 -5.358 462 1HB ALA 76 1HB ALA 76 -9.553 9.669 -4.016 463 2HB ALA 76 3HB ALA 76 -9.649 8.099 -3.205 464 3HB ALA 76 2HB ALA 76 -8.539 9.338 -2.611 465 H LYS 77 H LYS 77 -5.516 8.376 -3.561 466 HA LYS 77 HA LYS 77 -4.893 11.104 -4.074 467 1HB LYS 77 2HB LYS 77 -3.850 9.646 -2.293 468 2HB LYS 77 1HB LYS 77 -2.946 8.850 -3.572 469 1HG LYS 77 2HG LYS 77 -2.793 11.813 -3.316 470 2HG LYS 77 1HG LYS 77 -1.891 10.794 -2.186 471 1HD LYS 77 2HD LYS 77 -0.818 9.670 -4.109 472 2HD LYS 77 1HD LYS 77 -1.684 10.753 -5.204 473 1HE LYS 77 2HE LYS 77 0.340 11.542 -3.101 474 2HE LYS 77 1HE LYS 77 0.578 11.558 -4.849 475 1HZ LYS 77 3HZ LYS 77 -1.155 13.249 -5.025 476 2HZ LYS 77 2HZ LYS 77 -1.347 13.244 -3.343 477 3HZ LYS 77 1HZ LYS 77 0.109 13.770 -4.021 478 H ARG 78 H ARG 78 -4.673 8.153 -5.875 479 HA ARG 78 HA ARG 78 -2.944 9.237 -7.919 480 1HB ARG 78 2HB ARG 78 -4.462 6.683 -7.569 481 2HB ARG 78 1HB ARG 78 -3.883 7.124 -9.168 482 1HG ARG 78 2HG ARG 78 -2.230 5.734 -8.254 483 2HG ARG 78 1HG ARG 78 -1.597 7.375 -8.131 484 1HD ARG 78 2HD ARG 78 -2.117 7.473 -5.799 485 2HD ARG 78 1HD ARG 78 -2.972 5.931 -5.874 486 HE ARG 78 HE ARG 78 -0.951 4.822 -5.892 487 1HH1 ARG 78 1HH1 ARG 78 -0.412 8.266 -6.201 488 2HH1 ARG 78 2HH1 ARG 78 1.293 8.156 -5.900 489 1HH2 ARG 78 1HH2 ARG 78 1.312 4.681 -5.514 490 2HH2 ARG 78 2HH2 ARG 78 2.268 6.132 -5.539 491 H SER 79 H SER 79 -4.877 10.987 -7.498 492 HA SER 79 HA SER 79 -6.196 11.177 -10.056 493 1HB SER 79 2HB SER 79 -7.777 11.218 -7.453 494 2HB SER 79 1HB SER 79 -8.429 11.586 -9.050 495 HG SER 79 HG SER 79 -7.144 9.197 -9.014 496 HA PRO 80 HA PRO 80 -5.597 15.581 -9.279 497 1HB PRO 80 2HB PRO 80 -8.506 16.146 -9.187 498 2HB PRO 80 1HB PRO 80 -7.260 16.836 -10.231 499 1HG PRO 80 2HG PRO 80 -9.046 15.079 -11.169 500 2HG PRO 80 1HG PRO 80 -7.367 15.093 -11.741 501 1HD PRO 80 2HD PRO 80 -8.710 13.230 -9.835 502 2HD PRO 80 1HD PRO 80 -7.473 12.893 -11.062 503 H ARG 81 H ARG 81 -7.956 13.900 -7.383 504 HA ARG 81 HA ARG 81 -8.683 13.986 -5.252 505 1HB ARG 81 2HB ARG 81 -5.979 13.877 -5.127 506 2HB ARG 81 1HB ARG 81 -6.264 15.376 -4.257 507 1HG ARG 81 2HG ARG 81 -7.488 12.709 -3.579 508 2HG ARG 81 1HG ARG 81 -6.098 13.433 -2.775 509 1HD ARG 81 2HD ARG 81 -7.927 13.888 -1.376 510 2HD ARG 81 1HD ARG 81 -7.615 15.393 -2.234 511 HE ARG 81 HE ARG 81 -9.525 14.821 -3.680 512 1HH1 ARG 81 1HH1 ARG 81 -9.271 13.303 -0.540 513 2HH1 ARG 81 2HH1 ARG 81 -10.965 12.919 -0.438 514 1HH2 ARG 81 1HH2 ARG 81 -11.756 14.363 -3.557 515 2HH2 ARG 81 2HH2 ARG 81 -12.383 13.523 -2.164 No H/Q in entry = 515 Start of MODEL 5 1 H1 LEU 22 3H LEU 22 22.493 -5.757 -10.629 2 H2 LEU 22 2H LEU 22 22.480 -5.968 -12.305 3 H3 LEU 22 1H LEU 22 21.146 -5.268 -11.523 4 HA LEU 22 HA LEU 22 20.563 -7.479 -12.044 5 1HB LEU 22 2HB LEU 22 23.092 -8.243 -10.574 6 2HB LEU 22 1HB LEU 22 21.892 -9.371 -11.170 7 HG LEU 22 HG LEU 22 23.628 -7.573 -12.859 8 1HD1 LEU 22 3HD1 LEU 22 24.838 -9.441 -11.877 9 2HD1 LEU 22 2HD1 LEU 22 23.617 -10.564 -12.481 10 3HD1 LEU 22 1HD1 LEU 22 24.631 -9.670 -13.612 11 1HD2 LEU 22 3HD2 LEU 22 21.417 -7.869 -13.853 12 2HD2 LEU 22 2HD2 LEU 22 22.650 -8.737 -14.769 13 3HD2 LEU 22 1HD2 LEU 22 21.572 -9.620 -13.688 14 H ALA 23 H ALA 23 20.516 -9.395 -10.004 15 HA ALA 23 HA ALA 23 18.808 -8.025 -8.130 16 1HB ALA 23 2HB ALA 23 18.206 -10.195 -9.142 17 2HB ALA 23 1HB ALA 23 19.534 -10.950 -8.264 18 3HB ALA 23 3HB ALA 23 18.186 -10.234 -7.379 19 H LYS 24 H LYS 24 19.264 -9.906 -5.953 20 HA LYS 24 HA LYS 24 20.757 -8.308 -4.264 21 1HB LYS 24 2HB LYS 24 19.105 -10.002 -3.552 22 2HB LYS 24 1HB LYS 24 20.237 -11.271 -3.989 23 1HG LYS 24 2HG LYS 24 21.821 -10.357 -2.314 24 2HG LYS 24 1HG LYS 24 20.575 -9.212 -1.822 25 1HD LYS 24 2HD LYS 24 20.254 -12.213 -1.760 26 2HD LYS 24 1HD LYS 24 20.733 -11.238 -0.374 27 1HE LYS 24 2HE LYS 24 18.433 -11.564 -0.095 28 2HE LYS 24 1HE LYS 24 18.566 -9.938 -0.759 29 1HZ LYS 24 2HZ LYS 24 18.068 -12.304 -2.471 30 2HZ LYS 24 1HZ LYS 24 16.805 -11.434 -1.744 31 3HZ LYS 24 3HZ LYS 24 17.834 -10.670 -2.849 32 H GLY 25 H GLY 25 21.782 -11.155 -6.087 33 1HA GLY 25 1HA GLY 25 23.852 -12.027 -6.538 34 2HA GLY 25 2HA GLY 25 24.291 -11.549 -4.906 35 H GLU 26 H GLU 26 23.261 -9.098 -7.104 36 HA GLU 26 HA GLU 26 25.980 -8.370 -7.843 37 1HB GLU 26 2HB GLU 26 24.186 -8.150 -9.503 38 2HB GLU 26 1HB GLU 26 23.323 -7.053 -8.437 39 1HG GLU 26 2HG GLU 26 24.369 -5.733 -10.084 40 2HG GLU 26 1HG GLU 26 25.283 -5.503 -8.595 41 H SER 27 H SER 27 23.238 -6.561 -6.498 42 HA SER 27 HA SER 27 24.448 -5.617 -4.181 43 1HB SER 27 2HB SER 27 26.034 -4.497 -5.741 44 2HB SER 27 1HB SER 27 24.677 -3.676 -6.508 45 HG SER 27 HG SER 27 25.255 -2.209 -5.069 46 H LEU 28 H LEU 28 23.178 -3.755 -3.265 47 HA LEU 28 HA LEU 28 20.400 -4.095 -3.811 48 1HB LEU 28 2HB LEU 28 21.941 -2.222 -2.031 49 2HB LEU 28 1HB LEU 28 20.208 -2.070 -2.222 50 HG LEU 28 HG LEU 28 20.639 -3.277 -0.205 51 1HD1 LEU 28 1HD1 LEU 28 19.729 -5.162 -2.363 52 2HD1 LEU 28 3HD1 LEU 28 19.466 -5.373 -0.631 53 3HD1 LEU 28 2HD1 LEU 28 18.723 -4.014 -1.478 54 1HD2 LEU 28 3HD2 LEU 28 22.261 -5.192 -1.870 55 2HD2 LEU 28 2HD2 LEU 28 22.889 -4.055 -0.674 56 3HD2 LEU 28 1HD2 LEU 28 21.859 -5.395 -0.165 57 HA PRO 29 HA PRO 29 19.432 -1.585 -7.297 58 1HB PRO 29 2HB PRO 29 17.545 -0.473 -5.249 59 2HB PRO 29 1HB PRO 29 17.246 -0.856 -6.951 60 1HG PRO 29 2HG PRO 29 16.604 -2.545 -4.928 61 2HG PRO 29 1HG PRO 29 17.053 -3.100 -6.547 62 1HD PRO 29 2HD PRO 29 18.499 -3.423 -4.053 63 2HD PRO 29 1HD PRO 29 18.856 -4.117 -5.645 64 HA PRO 30 HA PRO 30 22.115 1.937 -6.262 65 1HB PRO 30 2HB PRO 30 21.944 2.858 -8.908 66 2HB PRO 30 1HB PRO 30 23.224 1.868 -8.208 67 1HG PRO 30 2HG PRO 30 20.887 1.061 -9.849 68 2HG PRO 30 1HG PRO 30 22.508 0.351 -9.768 69 1HD PRO 30 2HD PRO 30 20.379 -0.822 -8.626 70 2HD PRO 30 1HD PRO 30 21.999 -0.913 -7.906 71 HA PRO 31 HA PRO 31 18.533 5.042 -8.102 72 1HB PRO 31 2HB PRO 31 16.473 3.135 -7.047 73 2HB PRO 31 1HB PRO 31 16.320 4.368 -8.307 74 1HG PRO 31 2HG PRO 31 16.631 1.817 -8.963 75 2HG PRO 31 1HG PRO 31 17.456 3.092 -9.876 76 1HD PRO 31 2HD PRO 31 18.562 1.133 -7.938 77 2HD PRO 31 1HD PRO 31 19.345 1.924 -9.321 78 HA PRO 32 HA PRO 32 18.770 6.685 -4.030 79 1HB PRO 32 2HB PRO 32 16.871 8.665 -4.265 80 2HB PRO 32 1HB PRO 32 18.525 8.787 -4.868 81 1HG PRO 32 2HG PRO 32 16.019 8.090 -6.340 82 2HG PRO 32 1HG PRO 32 17.367 9.122 -6.849 83 1HD PRO 32 2HD PRO 32 17.109 6.613 -7.752 84 2HD PRO 32 1HD PRO 32 18.705 7.316 -7.409 85 H GLU 33 H GLU 33 17.536 7.132 -2.106 86 HA GLU 33 HA GLU 33 16.122 6.516 -0.448 87 1HB GLU 33 2HB GLU 33 14.168 5.937 -2.688 88 2HB GLU 33 1HB GLU 33 13.763 5.954 -0.979 89 1HG GLU 33 2HG GLU 33 14.441 8.344 -0.907 90 2HG GLU 33 1HG GLU 33 14.659 8.285 -2.656 91 H ASN 34 H ASN 34 14.372 4.423 -0.141 92 HA ASN 34 HA ASN 34 15.977 2.081 -0.934 93 1HB ASN 34 2HB ASN 34 16.067 2.565 1.514 94 2HB ASN 34 1HB ASN 34 14.316 2.397 1.582 95 1HD2 ASN 34 1HD2 ASN 34 14.527 0.706 3.082 96 2HD2 ASN 34 2HD2 ASN 34 15.031 -0.882 2.593 97 HA PRO 35 HA PRO 35 12.584 0.816 -3.520 98 1HB PRO 35 2HB PRO 35 12.989 -1.897 -2.596 99 2HB PRO 35 1HB PRO 35 13.360 -1.196 -4.171 100 1HG PRO 35 2HG PRO 35 15.118 -1.640 -1.858 101 2HG PRO 35 1HG PRO 35 15.539 -1.404 -3.562 102 1HD PRO 35 2HD PRO 35 16.042 0.472 -1.704 103 2HD PRO 35 1HD PRO 35 15.565 0.906 -3.360 104 H MET 36 H MET 36 12.831 -0.498 -0.217 105 HA MET 36 HA MET 36 9.901 -0.579 -0.143 106 1HB MET 36 2HB MET 36 10.153 -1.967 1.906 107 2HB MET 36 1HB MET 36 10.837 -2.703 0.465 108 1HG MET 36 2HG MET 36 13.064 -2.103 1.174 109 2HG MET 36 1HG MET 36 12.415 -1.256 2.577 110 1HE MET 36 1HE MET 36 11.127 -4.656 1.074 111 2HE MET 36 3HE MET 36 12.871 -4.748 0.830 112 3HE MET 36 2HE MET 36 12.082 -5.824 1.985 113 H SER 37 H SER 37 9.712 1.676 0.075 114 HA SER 37 HA SER 37 10.625 3.006 2.452 115 1HB SER 37 2HB SER 37 10.054 4.198 0.323 116 2HB SER 37 1HB SER 37 8.363 3.759 0.568 117 HG SER 37 HG SER 37 9.604 5.875 1.484 118 H ALA 38 H ALA 38 8.934 3.905 4.061 119 HA ALA 38 HA ALA 38 7.473 1.735 5.159 120 1HB ALA 38 3HB ALA 38 7.186 4.675 5.778 121 2HB ALA 38 2HB ALA 38 6.627 3.333 6.777 122 3HB ALA 38 1HB ALA 38 8.355 3.589 6.534 123 H ASP 39 H ASP 39 6.677 4.534 3.223 124 HA ASP 39 HA ASP 39 3.895 4.039 3.122 125 1HB ASP 39 2HB ASP 39 5.729 5.645 1.348 126 2HB ASP 39 1HB ASP 39 3.998 5.523 1.050 127 H ARG 40 H ARG 40 6.647 3.063 1.184 128 HA ARG 40 HA ARG 40 5.195 1.948 -0.948 129 1HB ARG 40 2HB ARG 40 7.565 2.435 -1.203 130 2HB ARG 40 1HB ARG 40 7.968 1.257 0.041 131 1HG ARG 40 2HG ARG 40 8.387 0.350 -2.169 132 2HG ARG 40 1HG ARG 40 7.086 -0.536 -1.368 133 1HD ARG 40 2HD ARG 40 5.553 1.172 -2.618 134 2HD ARG 40 1HD ARG 40 6.957 1.368 -3.666 135 HE ARG 40 HE ARG 40 6.207 -1.382 -3.250 136 1HH1 ARG 40 1HH1 ARG 40 5.713 1.479 -5.219 137 2HH1 ARG 40 2HH1 ARG 40 5.017 0.594 -6.551 138 1HH2 ARG 40 1HH2 ARG 40 5.288 -2.542 -4.958 139 2HH2 ARG 40 2HH2 ARG 40 4.751 -1.700 -6.392 140 H VAL 41 H VAL 41 6.523 0.514 2.022 141 HA VAL 41 HA VAL 41 5.804 -2.140 1.533 142 HB VAL 41 HB VAL 41 5.963 -0.673 4.174 143 1HG1 VAL 41 3HG1 VAL 41 5.827 -3.640 3.634 144 2HG1 VAL 41 2HG1 VAL 41 6.169 -2.905 5.200 145 3HG1 VAL 41 1HG1 VAL 41 4.597 -2.666 4.437 146 1HG2 VAL 41 2HG2 VAL 41 8.060 -0.726 2.918 147 2HG2 VAL 41 1HG2 VAL 41 8.155 -1.736 4.359 148 3HG2 VAL 41 3HG2 VAL 41 7.936 -2.478 2.775 149 H ARG 42 H ARG 42 3.951 0.502 2.991 150 HA ARG 42 HA ARG 42 1.646 -1.012 3.574 151 1HB ARG 42 2HB ARG 42 1.981 1.934 3.010 152 2HB ARG 42 1HB ARG 42 0.473 1.205 3.555 153 1HG ARG 42 2HG ARG 42 1.737 0.352 5.552 154 2HG ARG 42 1HG ARG 42 3.081 1.369 5.032 155 1HD ARG 42 2HD ARG 42 0.306 2.410 5.517 156 2HD ARG 42 1HD ARG 42 1.546 2.361 6.767 157 HE ARG 42 HE ARG 42 2.096 3.808 4.273 158 1HH1 ARG 42 1HH1 ARG 42 1.451 3.823 7.709 159 2HH1 ARG 42 2HH1 ARG 42 1.974 5.463 7.936 160 1HH2 ARG 42 1HH2 ARG 42 2.789 6.002 4.558 161 2HH2 ARG 42 2HH2 ARG 42 2.736 6.701 6.152 162 H TRP 43 H TRP 43 2.487 1.012 0.771 163 HA TRP 43 HA TRP 43 0.112 0.593 -0.674 164 1HB TRP 43 2HB TRP 43 2.620 1.893 -1.088 165 2HB TRP 43 1HB TRP 43 2.286 0.892 -2.498 166 HD1 TRP 43 HD1 TRP 43 2.045 4.263 -1.945 167 HE1 TRP 43 HE1 TRP 43 -0.027 5.378 -2.964 168 HE3 TRP 43 HE3 TRP 43 -0.889 0.136 -2.531 169 HZ2 TRP 43 HZ2 TRP 43 -2.581 4.621 -3.859 170 HZ3 TRP 43 HZ3 TRP 43 -3.143 0.424 -3.454 171 HH2 TRP 43 HH2 TRP 43 -3.963 2.617 -4.088 172 H GLU 44 H GLU 44 3.114 -1.213 -0.523 173 HA GLU 44 HA GLU 44 2.721 -2.970 -2.657 174 1HB GLU 44 2HB GLU 44 4.800 -2.615 -1.192 175 2HB GLU 44 1HB GLU 44 4.048 -3.725 -0.056 176 1HG GLU 44 2HG GLU 44 5.625 -4.913 -1.413 177 2HG GLU 44 1HG GLU 44 3.991 -5.443 -1.821 178 H HIS 45 H HIS 45 1.468 -2.960 0.617 179 HA HIS 45 HA HIS 45 0.452 -5.656 0.458 180 1HB HIS 45 2HB HIS 45 1.231 -4.414 2.571 181 2HB HIS 45 1HB HIS 45 -0.297 -3.549 2.491 182 HD1 HIS 45 HD1 HIS 45 1.202 -6.364 4.040 183 HD2 HIS 45 HD2 HIS 45 -2.580 -5.575 2.481 184 HE1 HIS 45 HE1 HIS 45 -0.344 -7.994 5.162 185 HE2 HIS 45 HE2 HIS 45 -2.642 -7.299 4.415 186 H ILE 46 H ILE 46 -0.654 -2.389 -0.036 187 HA ILE 46 HA ILE 46 -3.441 -2.931 -0.097 188 HB ILE 46 HB ILE 46 -2.058 -0.688 -1.557 189 1HG1 ILE 46 2HG1 ILE 46 -2.971 -0.740 1.320 190 2HG1 ILE 46 1HG1 ILE 46 -1.289 -0.817 0.800 191 1HG2 ILE 46 3HG2 ILE 46 -4.478 -1.063 -1.979 192 2HG2 ILE 46 2HG2 ILE 46 -4.767 -0.834 -0.247 193 3HG2 ILE 46 1HG2 ILE 46 -4.122 0.493 -1.222 194 1HD1 ILE 46 2HD1 ILE 46 -3.147 1.443 0.144 195 2HD1 ILE 46 1HD1 ILE 46 -2.048 1.424 1.530 196 3HD1 ILE 46 3HD1 ILE 46 -1.407 1.370 -0.111 197 H GLN 47 H GLN 47 -0.889 -3.035 -2.480 198 HA GLN 47 HA GLN 47 -2.654 -3.160 -4.733 199 1HB GLN 47 2HB GLN 47 0.273 -3.837 -4.450 200 2HB GLN 47 1HB GLN 47 -0.596 -3.884 -5.976 201 1HG GLN 47 2HG GLN 47 -0.205 -1.452 -4.254 202 2HG GLN 47 1HG GLN 47 0.707 -1.843 -5.707 203 1HE2 GLN 47 1HE2 GLN 47 -0.887 0.494 -5.136 204 2HE2 GLN 47 2HE2 GLN 47 -2.121 0.566 -6.346 205 H ARG 48 H ARG 48 -0.691 -5.511 -2.954 206 HA ARG 48 HA ARG 48 -1.393 -7.740 -4.474 207 1HB ARG 48 2HB ARG 48 -0.676 -9.075 -2.493 208 2HB ARG 48 1HB ARG 48 0.498 -7.877 -3.025 209 1HG ARG 48 2HG ARG 48 0.604 -7.478 -0.820 210 2HG ARG 48 1HG ARG 48 -0.782 -6.445 -1.179 211 1HD ARG 48 2HD ARG 48 -1.389 -7.730 0.700 212 2HD ARG 48 1HD ARG 48 -2.238 -8.435 -0.676 213 HE ARG 48 HE ARG 48 0.086 -9.582 0.713 214 1HH1 ARG 48 1HH1 ARG 48 -2.493 -9.935 -1.649 215 2HH1 ARG 48 2HH1 ARG 48 -2.262 -11.651 -1.816 216 1HH2 ARG 48 1HH2 ARG 48 0.352 -11.824 0.521 217 2HH2 ARG 48 2HH2 ARG 48 -0.685 -12.729 -0.548 218 H ILE 49 H ILE 49 -3.124 -6.163 -1.849 219 HA ILE 49 HA ILE 49 -5.083 -8.311 -1.770 220 HB ILE 49 HB ILE 49 -4.629 -7.236 0.336 221 1HG1 ILE 49 2HG1 ILE 49 -6.871 -6.696 1.066 222 2HG1 ILE 49 1HG1 ILE 49 -7.362 -6.335 -0.587 223 1HG2 ILE 49 3HG2 ILE 49 -3.900 -5.088 -0.552 224 2HG2 ILE 49 2HG2 ILE 49 -5.584 -4.684 -0.907 225 3HG2 ILE 49 1HG2 ILE 49 -5.066 -4.918 0.763 226 1HD1 ILE 49 3HD1 ILE 49 -6.345 -9.045 0.120 227 2HD1 ILE 49 2HD1 ILE 49 -8.018 -8.595 0.466 228 3HD1 ILE 49 1HD1 ILE 49 -7.412 -8.562 -1.193 229 H TYR 50 H TYR 50 -4.799 -5.054 -3.087 230 HA TYR 50 HA TYR 50 -7.446 -4.681 -3.915 231 1HB TYR 50 2HB TYR 50 -5.250 -3.157 -4.001 232 2HB TYR 50 1HB TYR 50 -5.226 -3.729 -5.663 233 HD1 TYR 50 HD1 TYR 50 -6.062 -2.176 -7.139 234 HD2 TYR 50 HD2 TYR 50 -7.883 -2.542 -3.310 235 HE1 TYR 50 HE1 TYR 50 -7.676 -0.422 -7.744 236 HE2 TYR 50 HE2 TYR 50 -9.510 -0.800 -3.909 237 HH TYR 50 HH TYR 50 -9.714 1.072 -5.456 238 H GLU 51 H GLU 51 -4.736 -6.343 -5.389 239 HA GLU 51 HA GLU 51 -6.093 -7.108 -7.777 240 1HB GLU 51 2HB GLU 51 -3.667 -8.299 -6.431 241 2HB GLU 51 1HB GLU 51 -4.201 -8.663 -8.065 242 1HG GLU 51 2HG GLU 51 -3.861 -6.293 -8.672 243 2HG GLU 51 1HG GLU 51 -3.240 -5.989 -7.049 244 H MET 52 H MET 52 -5.756 -8.512 -4.580 245 HA MET 52 HA MET 52 -6.429 -11.168 -5.142 246 1HB MET 52 2HB MET 52 -6.668 -9.482 -2.678 247 2HB MET 52 1HB MET 52 -7.346 -11.101 -2.700 248 1HG MET 52 2HG MET 52 -4.470 -10.395 -3.210 249 2HG MET 52 1HG MET 52 -5.129 -11.040 -1.706 250 1HE MET 52 1HE MET 52 -6.155 -13.479 -1.474 251 2HE MET 52 3HE MET 52 -7.260 -13.151 -2.808 252 3HE MET 52 2HE MET 52 -6.282 -14.621 -2.809 253 H CYS 53 H CYS 53 -8.573 -8.614 -3.883 254 HA CYS 53 HA CYS 53 -10.822 -10.419 -4.444 255 1HB CYS 53 2HB CYS 53 -10.329 -9.519 -2.079 256 2HB CYS 53 1HB CYS 53 -10.958 -7.987 -2.674 257 HG CYS 53 HG CYS 53 -12.696 -10.029 -1.162 258 H ASP 54 H ASP 54 -9.397 -8.464 -6.259 259 HA ASP 54 HA ASP 54 -9.910 -7.138 -8.021 260 1HB ASP 54 2HB ASP 54 -11.403 -9.020 -8.535 261 2HB ASP 54 1HB ASP 54 -12.682 -8.266 -7.592 262 H ARG 55 H ARG 55 -9.468 -5.396 -6.447 263 HA ARG 55 HA ARG 55 -9.805 -3.252 -5.837 264 1HB ARG 55 2HB ARG 55 -12.052 -3.560 -7.802 265 2HB ARG 55 1HB ARG 55 -11.768 -2.048 -6.948 266 1HG ARG 55 2HG ARG 55 -9.412 -2.125 -7.829 267 2HG ARG 55 1HG ARG 55 -9.941 -3.454 -8.867 268 1HD ARG 55 2HD ARG 55 -11.511 -2.076 -9.980 269 2HD ARG 55 1HD ARG 55 -11.328 -0.792 -8.785 270 HE ARG 55 HE ARG 55 -8.847 -0.957 -9.779 271 1HH1 ARG 55 1HH1 ARG 55 -11.950 -0.849 -11.407 272 2HH1 ARG 55 2HH1 ARG 55 -11.329 0.025 -12.779 273 1HH2 ARG 55 1HH2 ARG 55 -8.043 0.190 -11.561 274 2HH2 ARG 55 2HH2 ARG 55 -9.110 0.622 -12.863 275 H ASN 56 H ASN 56 -11.260 -5.524 -4.391 276 HA ASN 56 HA ASN 56 -13.507 -4.217 -3.183 277 1HB ASN 56 2HB ASN 56 -13.326 -6.684 -3.282 278 2HB ASN 56 1HB ASN 56 -11.928 -6.617 -2.216 279 1HD2 ASN 56 1HD2 ASN 56 -14.626 -7.868 -1.968 280 2HD2 ASN 56 2HD2 ASN 56 -15.243 -7.287 -0.457 281 H VAL 57 H VAL 57 -12.944 -2.296 -2.340 282 HA VAL 57 HA VAL 57 -10.558 -1.676 -1.001 283 HB VAL 57 HB VAL 57 -13.239 -0.307 -0.719 284 1HG1 VAL 57 1HG1 VAL 57 -10.442 0.717 -0.248 285 2HG1 VAL 57 3HG1 VAL 57 -11.913 1.686 -0.183 286 3HG1 VAL 57 2HG1 VAL 57 -11.657 0.393 0.987 287 1HG2 VAL 57 2HG2 VAL 57 -12.587 -0.511 -3.063 288 2HG2 VAL 57 1HG2 VAL 57 -12.484 1.164 -2.522 289 3HG2 VAL 57 3HG2 VAL 57 -11.017 0.203 -2.695 290 H SER 58 H SER 58 -13.629 -2.917 0.140 291 HA SER 58 HA SER 58 -13.372 -2.408 2.876 292 1HB SER 58 2HB SER 58 -14.717 -4.796 1.589 293 2HB SER 58 1HB SER 58 -15.068 -4.115 3.179 294 HG SER 58 HG SER 58 -15.573 -3.008 0.621 295 H GLU 59 H GLU 59 -12.507 -5.354 1.043 296 HA GLU 59 HA GLU 59 -11.315 -6.659 3.264 297 1HB GLU 59 2HB GLU 59 -12.051 -7.848 1.192 298 2HB GLU 59 1HB GLU 59 -10.727 -7.089 0.321 299 1HG GLU 59 2HG GLU 59 -9.969 -9.246 0.826 300 2HG GLU 59 1HG GLU 59 -9.168 -8.206 2.004 301 H THR 60 H THR 60 -10.111 -4.542 0.747 302 HA THR 60 HA THR 60 -7.382 -4.897 1.149 303 HB THR 60 HB THR 60 -8.734 -2.316 0.333 304 HG1 THR 60 HG1 THR 60 -9.399 -4.023 -1.024 305 1HG2 THR 60 3HG2 THR 60 -6.341 -2.105 0.868 306 2HG2 THR 60 2HG2 THR 60 -5.983 -3.421 -0.253 307 3HG2 THR 60 1HG2 THR 60 -6.641 -1.900 -0.860 308 H ALA 61 H ALA 61 -9.469 -2.330 2.510 309 HA ALA 61 HA ALA 61 -7.589 -1.154 4.233 310 1HB ALA 61 1HB ALA 61 -10.572 -1.484 4.627 311 2HB ALA 61 3HB ALA 61 -9.534 -0.331 5.473 312 3HB ALA 61 2HB ALA 61 -9.778 -0.185 3.732 313 H ARG 62 H ARG 62 -9.739 -3.945 4.754 314 HA ARG 62 HA ARG 62 -9.166 -4.199 7.525 315 1HB ARG 62 2HB ARG 62 -11.179 -5.179 6.778 316 2HB ARG 62 1HB ARG 62 -10.378 -6.032 5.469 317 1HG ARG 62 2HG ARG 62 -9.587 -6.724 8.246 318 2HG ARG 62 1HG ARG 62 -11.171 -7.255 7.677 319 1HD ARG 62 2HD ARG 62 -10.165 -8.399 5.806 320 2HD ARG 62 1HD ARG 62 -8.576 -7.772 6.236 321 HE ARG 62 HE ARG 62 -8.907 -9.122 8.363 322 1HH1 ARG 62 1HH1 ARG 62 -10.355 -9.992 5.299 323 2HH1 ARG 62 2HH1 ARG 62 -10.329 -11.700 5.633 324 1HH2 ARG 62 1HH2 ARG 62 -8.816 -11.349 8.791 325 2HH2 ARG 62 2HH2 ARG 62 -9.414 -12.482 7.611 326 H ARG 63 H ARG 63 -7.890 -5.732 4.624 327 HA ARG 63 HA ARG 63 -6.124 -7.488 6.046 328 1HB ARG 63 2HB ARG 63 -7.182 -7.871 3.778 329 2HB ARG 63 1HB ARG 63 -6.057 -6.691 3.133 330 1HG ARG 63 2HG ARG 63 -4.246 -8.099 3.366 331 2HG ARG 63 1HG ARG 63 -5.039 -9.082 4.604 332 1HD ARG 63 2HD ARG 63 -6.388 -10.175 3.049 333 2HD ARG 63 1HD ARG 63 -6.160 -8.919 1.840 334 HE ARG 63 HE ARG 63 -3.747 -9.817 1.844 335 1HH1 ARG 63 1HH1 ARG 63 -6.640 -11.742 2.296 336 2HH1 ARG 63 2HH1 ARG 63 -5.952 -13.172 1.581 337 1HH2 ARG 63 1HH2 ARG 63 -2.831 -11.712 0.926 338 2HH2 ARG 63 2HH2 ARG 63 -3.789 -13.159 0.804 339 H LEU 64 H LEU 64 -6.041 -4.262 4.911 340 HA LEU 64 HA LEU 64 -3.168 -3.944 5.113 341 1HB LEU 64 2HB LEU 64 -5.476 -2.314 4.280 342 2HB LEU 64 1HB LEU 64 -4.205 -1.418 5.084 343 HG LEU 64 HG LEU 64 -3.997 -1.371 2.631 344 1HD1 LEU 64 2HD1 LEU 64 -1.802 -2.878 4.069 345 2HD1 LEU 64 1HD1 LEU 64 -1.623 -1.998 2.552 346 3HD1 LEU 64 3HD1 LEU 64 -2.014 -1.127 4.034 347 1HD2 LEU 64 1HD2 LEU 64 -3.788 -4.346 3.008 348 2HD2 LEU 64 3HD2 LEU 64 -4.869 -3.442 1.945 349 3HD2 LEU 64 2HD2 LEU 64 -3.143 -3.525 1.588 350 H ASN 65 H ASN 65 -5.775 -4.041 7.203 351 HA ASN 65 HA ASN 65 -6.021 -3.724 9.428 352 1HB ASN 65 2HB ASN 65 -3.084 -2.984 9.380 353 2HB ASN 65 1HB ASN 65 -4.040 -3.217 10.838 354 1HD2 ASN 65 1HD2 ASN 65 -5.535 -5.461 9.712 355 2HD2 ASN 65 2HD2 ASN 65 -4.443 -6.799 9.703 356 H MET 66 H MET 66 -6.522 -1.694 7.455 357 HA MET 66 HA MET 66 -6.390 0.632 9.234 358 1HB MET 66 2HB MET 66 -6.388 2.031 7.090 359 2HB MET 66 1HB MET 66 -4.883 1.324 7.634 360 1HG MET 66 2HG MET 66 -5.868 -0.534 5.875 361 2HG MET 66 1HG MET 66 -6.341 1.021 5.168 362 1HE MET 66 2HE MET 66 -4.913 2.812 4.402 363 2HE MET 66 1HE MET 66 -3.316 2.476 3.721 364 3HE MET 66 3HE MET 66 -4.718 1.579 3.149 365 H HIS 67 H HIS 67 -7.904 2.335 8.577 366 HA HIS 67 HA HIS 67 -10.554 1.216 8.656 367 1HB HIS 67 2HB HIS 67 -9.492 3.181 9.988 368 2HB HIS 67 1HB HIS 67 -9.823 4.135 8.551 369 HD1 HIS 67 HD1 HIS 67 -11.863 5.458 8.838 370 HD2 HIS 67 HD2 HIS 67 -12.128 1.805 10.801 371 HE1 HIS 67 HE1 HIS 67 -14.127 5.438 9.924 372 HE2 HIS 67 HE2 HIS 67 -14.138 3.348 11.325 373 H ARG 68 H ARG 68 -12.301 2.089 7.235 374 HA ARG 68 HA ARG 68 -11.860 1.652 4.547 375 1HB ARG 68 2HB ARG 68 -14.087 1.693 5.599 376 2HB ARG 68 1HB ARG 68 -13.976 3.440 5.755 377 1HG ARG 68 2HG ARG 68 -15.337 2.984 3.869 378 2HG ARG 68 1HG ARG 68 -13.786 3.564 3.262 379 1HD ARG 68 2HD ARG 68 -14.568 1.652 1.970 380 2HD ARG 68 1HD ARG 68 -13.087 1.258 2.844 381 HE ARG 68 HE ARG 68 -14.357 -0.064 4.355 382 1HH1 ARG 68 1HH1 ARG 68 -16.163 1.126 1.599 383 2HH1 ARG 68 2HH1 ARG 68 -17.513 0.058 1.861 384 1HH2 ARG 68 1HH2 ARG 68 -16.121 -1.474 4.689 385 2HH2 ARG 68 2HH2 ARG 68 -17.469 -1.447 3.600 386 H ARG 69 H ARG 69 -12.108 4.811 6.162 387 HA ARG 69 HA ARG 69 -11.771 6.338 3.822 388 1HB ARG 69 2HB ARG 69 -11.194 7.128 6.680 389 2HB ARG 69 1HB ARG 69 -11.389 8.234 5.325 390 1HG ARG 69 2HG ARG 69 -13.501 6.401 6.448 391 2HG ARG 69 1HG ARG 69 -13.415 8.153 6.644 392 1HD ARG 69 2HD ARG 69 -13.869 8.536 4.368 393 2HD ARG 69 1HD ARG 69 -13.535 6.860 3.934 394 HE ARG 69 HE ARG 69 -15.702 6.989 5.757 395 1HH1 ARG 69 1HH1 ARG 69 -14.907 7.726 2.416 396 2HH1 ARG 69 2HH1 ARG 69 -16.515 7.388 1.832 397 1HH2 ARG 69 1HH2 ARG 69 -17.799 6.540 4.989 398 2HH2 ARG 69 2HH2 ARG 69 -18.149 6.692 3.295 399 H THR 70 H THR 70 -9.502 4.878 6.020 400 HA THR 70 HA THR 70 -7.171 6.227 5.231 401 HB THR 70 HB THR 70 -7.234 3.325 5.993 402 HG1 THR 70 HG1 THR 70 -7.105 4.308 8.217 403 1HG2 THR 70 1HG2 THR 70 -5.068 4.349 5.379 404 2HG2 THR 70 3HG2 THR 70 -5.310 5.571 6.629 405 3HG2 THR 70 2HG2 THR 70 -5.121 3.875 7.079 406 H LEU 71 H LEU 71 -8.401 3.068 4.142 407 HA LEU 71 HA LEU 71 -6.522 2.641 2.119 408 1HB LEU 71 2HB LEU 71 -8.547 1.203 3.159 409 2HB LEU 71 1HB LEU 71 -9.317 1.722 1.674 410 HG LEU 71 HG LEU 71 -8.338 -0.492 1.425 411 1HD1 LEU 71 3HD1 LEU 71 -6.866 1.621 -0.127 412 2HD1 LEU 71 2HD1 LEU 71 -6.950 -0.087 -0.555 413 3HD1 LEU 71 1HD1 LEU 71 -8.416 0.893 -0.545 414 1HD2 LEU 71 3HD2 LEU 71 -6.524 -0.102 3.123 415 2HD2 LEU 71 2HD2 LEU 71 -6.022 -0.948 1.658 416 3HD2 LEU 71 1HD2 LEU 71 -5.643 0.763 1.865 417 H GLN 72 H GLN 72 -9.728 4.180 1.948 418 HA GLN 72 HA GLN 72 -9.783 4.750 -0.787 419 1HB GLN 72 2HB GLN 72 -11.722 5.020 0.706 420 2HB GLN 72 1HB GLN 72 -10.932 6.390 1.475 421 1HG GLN 72 2HG GLN 72 -12.501 7.284 -0.038 422 2HG GLN 72 1HG GLN 72 -10.916 7.512 -0.775 423 1HE2 GLN 72 1HE2 GLN 72 -13.460 7.499 -2.083 424 2HE2 GLN 72 2HE2 GLN 72 -13.449 6.190 -3.215 425 H ARG 73 H ARG 73 -8.438 6.696 1.875 426 HA ARG 73 HA ARG 73 -7.787 8.868 0.166 427 1HB ARG 73 2HB ARG 73 -6.928 8.177 2.956 428 2HB ARG 73 1HB ARG 73 -6.349 9.611 2.113 429 1HG ARG 73 2HG ARG 73 -8.715 10.286 1.777 430 2HG ARG 73 1HG ARG 73 -9.193 8.930 2.800 431 1HD ARG 73 2HD ARG 73 -7.404 11.211 3.598 432 2HD ARG 73 1HD ARG 73 -9.090 11.009 4.067 433 HE ARG 73 HE ARG 73 -7.056 9.022 4.821 434 1HH1 ARG 73 1HH1 ARG 73 -9.575 11.295 5.672 435 2HH1 ARG 73 2HH1 ARG 73 -9.613 10.817 7.351 436 1HH2 ARG 73 1HH2 ARG 73 -7.097 8.388 7.034 437 2HH2 ARG 73 2HH2 ARG 73 -8.224 9.149 8.113 438 H ILE 74 H ILE 74 -6.034 5.987 1.145 439 HA ILE 74 HA ILE 74 -3.551 6.874 0.057 440 HB ILE 74 HB ILE 74 -4.587 4.206 0.921 441 1HG1 ILE 74 2HG1 ILE 74 -2.233 4.355 2.084 442 2HG1 ILE 74 1HG1 ILE 74 -2.375 6.068 1.710 443 1HG2 ILE 74 3HG2 ILE 74 -3.439 3.813 -1.223 444 2HG2 ILE 74 2HG2 ILE 74 -1.981 4.558 -0.557 445 3HG2 ILE 74 1HG2 ILE 74 -2.621 3.071 0.149 446 1HD1 ILE 74 1HD1 ILE 74 -4.480 6.139 2.977 447 2HD1 ILE 74 3HD1 ILE 74 -4.266 4.432 3.391 448 3HD1 ILE 74 2HD1 ILE 74 -3.102 5.637 3.958 449 H LEU 75 H LEU 75 -6.226 4.883 -1.213 450 HA LEU 75 HA LEU 75 -5.180 4.448 -3.797 451 1HB LEU 75 2HB LEU 75 -8.081 4.894 -3.047 452 2HB LEU 75 1HB LEU 75 -7.502 4.141 -4.517 453 HG LEU 75 HG LEU 75 -7.163 3.003 -1.743 454 1HD1 LEU 75 3HD1 LEU 75 -9.498 3.030 -2.450 455 2HD1 LEU 75 2HD1 LEU 75 -9.056 2.230 -3.958 456 3HD1 LEU 75 1HD1 LEU 75 -8.858 1.386 -2.420 457 1HD2 LEU 75 2HD2 LEU 75 -6.513 1.915 -4.477 458 2HD2 LEU 75 1HD2 LEU 75 -5.392 2.250 -3.159 459 3HD2 LEU 75 3HD2 LEU 75 -6.561 0.941 -3.006 460 H ALA 76 H ALA 76 -7.155 7.031 -2.432 461 HA ALA 76 HA ALA 76 -7.460 8.469 -4.882 462 1HB ALA 76 1HB ALA 76 -8.745 9.988 -3.616 463 2HB ALA 76 3HB ALA 76 -9.044 8.401 -2.887 464 3HB ALA 76 2HB ALA 76 -7.936 9.540 -2.114 465 H LYS 77 H LYS 77 -4.951 8.232 -2.653 466 HA LYS 77 HA LYS 77 -3.905 10.867 -2.741 467 1HB LYS 77 2HB LYS 77 -3.331 9.223 -0.998 468 2HB LYS 77 1HB LYS 77 -2.533 8.220 -2.195 469 1HG LYS 77 2HG LYS 77 -1.589 11.017 -1.812 470 2HG LYS 77 1HG LYS 77 -1.172 9.795 -0.608 471 1HD LYS 77 2HD LYS 77 -0.262 8.387 -2.443 472 2HD LYS 77 1HD LYS 77 -0.567 9.720 -3.561 473 1HE LYS 77 2HE LYS 77 0.899 11.151 -2.154 474 2HE LYS 77 1HE LYS 77 1.283 9.730 -1.181 475 1HZ LYS 77 3HZ LYS 77 2.107 8.664 -3.230 476 2HZ LYS 77 2HZ LYS 77 1.856 10.123 -4.068 477 3HZ LYS 77 1HZ LYS 77 2.992 10.049 -2.802 478 H ARG 78 H ARG 78 -4.041 8.348 -4.995 479 HA ARG 78 HA ARG 78 -1.586 8.874 -6.389 480 1HB ARG 78 2HB ARG 78 -3.999 7.241 -7.159 481 2HB ARG 78 1HB ARG 78 -2.463 7.254 -8.021 482 1HG ARG 78 2HG ARG 78 -1.351 6.448 -5.973 483 2HG ARG 78 1HG ARG 78 -2.932 6.338 -5.195 484 1HD ARG 78 2HD ARG 78 -2.110 4.901 -7.700 485 2HD ARG 78 1HD ARG 78 -2.173 4.184 -6.091 486 HE ARG 78 HE ARG 78 -4.685 5.283 -6.646 487 1HH1 ARG 78 1HH1 ARG 78 -2.615 2.677 -7.752 488 2HH1 ARG 78 2HH1 ARG 78 -3.935 1.697 -8.321 489 1HH2 ARG 78 1HH2 ARG 78 -6.437 3.990 -7.387 490 2HH2 ARG 78 2HH2 ARG 78 -6.103 2.451 -8.124 491 H SER 79 H SER 79 -3.142 11.216 -6.135 492 HA SER 79 HA SER 79 -3.275 11.941 -8.924 493 1HB SER 79 2HB SER 79 -5.619 12.430 -7.088 494 2HB SER 79 1HB SER 79 -5.457 13.071 -8.722 495 HG SER 79 HG SER 79 -5.040 10.446 -8.815 496 HA PRO 80 HA PRO 80 -2.928 15.923 -6.238 497 1HB PRO 80 2HB PRO 80 -2.828 15.047 -3.455 498 2HB PRO 80 1HB PRO 80 -3.891 16.234 -4.212 499 1HG PRO 80 2HG PRO 80 -4.780 13.833 -3.327 500 2HG PRO 80 1HG PRO 80 -5.500 14.673 -4.711 501 1HD PRO 80 2HD PRO 80 -3.553 12.399 -4.682 502 2HD PRO 80 1HD PRO 80 -4.964 12.654 -5.730 503 H ARG 81 H ARG 81 -1.320 12.962 -5.426 504 HA ARG 81 HA ARG 81 1.226 14.372 -5.388 505 1HB ARG 81 2HB ARG 81 0.394 14.178 -3.002 506 2HB ARG 81 1HB ARG 81 0.546 12.434 -3.177 507 1HG ARG 81 2HG ARG 81 2.488 13.294 -2.060 508 2HG ARG 81 1HG ARG 81 2.946 12.723 -3.667 509 1HD ARG 81 2HD ARG 81 2.972 14.975 -4.514 510 2HD ARG 81 1HD ARG 81 2.349 15.598 -2.987 511 HE ARG 81 HE ARG 81 4.868 14.166 -2.827 512 1HH1 ARG 81 1HH1 ARG 81 3.250 17.259 -3.098 513 2HH1 ARG 81 2HH1 ARG 81 4.633 18.175 -2.572 514 1HH2 ARG 81 1HH2 ARG 81 6.668 15.335 -2.135 515 2HH2 ARG 81 2HH2 ARG 81 6.595 17.069 -1.997 No H/Q in entry = 515
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