NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6850 | 1jnj | 5169 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 0 1H MET 0 -8.108 -23.112 -6.316 2 2H MET 0 2H MET 0 -7.482 -21.603 -6.085 3 3H MET 0 3H MET 0 -6.564 -22.773 -6.803 4 HA MET 0 HA MET 0 -7.422 -22.572 -4.044 5 1HB MET 0 1HB MET 0 -7.768 -24.867 -4.933 6 2HB MET 0 2HB MET 0 -6.058 -24.954 -5.375 7 1HG MET 0 1HG MET 0 -6.654 -26.155 -3.286 8 2HG MET 0 2HG MET 0 -5.404 -24.947 -3.047 9 1HE MET 0 1HE MET 0 -5.589 -25.071 -0.523 10 2HE MET 0 2HE MET 0 -7.077 -24.847 0.424 11 3HE MET 0 3HE MET 0 -6.874 -26.302 -0.580 12 H ILE 1 H ILE 1 -5.432 -22.797 -2.584 13 HA ILE 1 HA ILE 1 -3.465 -22.069 -1.838 14 HB ILE 1 HB ILE 1 -2.398 -22.085 -4.672 15 1HG1 ILE 1 1HG1 ILE 1 -3.321 -24.306 -4.253 16 2HG1 ILE 1 2HG1 ILE 1 -1.569 -24.333 -4.276 17 1HG2 ILE 1 1HG2 ILE 1 -1.068 -22.119 -1.948 18 2HG2 ILE 1 2HG2 ILE 1 -0.236 -22.584 -3.448 19 3HG2 ILE 1 3HG2 ILE 1 -0.859 -20.949 -3.261 20 1HD1 ILE 1 1HD1 ILE 1 -1.501 -24.439 -1.804 21 2HD1 ILE 1 2HD1 ILE 1 -3.279 -24.374 -1.748 22 3HD1 ILE 1 3HD1 ILE 1 -2.462 -25.756 -2.493 23 H GLN 2 H GLN 2 -5.353 -20.368 -1.847 24 HA GLN 2 HA GLN 2 -4.580 -17.844 -3.208 25 1HB GLN 2 1HB GLN 2 -7.156 -18.912 -2.060 26 2HB GLN 2 2HB GLN 2 -6.953 -17.277 -2.717 27 1HG GLN 2 1HG GLN 2 -6.484 -18.068 -4.908 28 2HG GLN 2 2HG GLN 2 -6.227 -19.724 -4.367 29 1HE2 GLN 2 2HE2 GLN 2 -8.910 -17.381 -3.722 30 2HE2 GLN 2 1HE2 GLN 2 -10.169 -18.440 -4.319 31 H ARG 3 H ARG 3 -2.824 -17.603 -1.363 32 HA ARG 3 HA ARG 3 -3.870 -16.785 1.256 33 1HB ARG 3 1HB ARG 3 -1.149 -16.873 -0.017 34 2HB ARG 3 2HB ARG 3 -1.448 -15.916 1.447 35 1HG ARG 3 1HG ARG 3 -2.141 -17.741 2.731 36 2HG ARG 3 2HG ARG 3 -2.177 -18.840 1.336 37 1HD ARG 3 1HD ARG 3 0.134 -18.899 1.133 38 2HD ARG 3 2HD ARG 3 0.415 -17.409 2.034 39 HE ARG 3 HE ARG 3 0.080 -20.123 3.063 40 1HH1 ARG 3 1HH2 ARG 3 -0.009 -16.657 3.941 41 2HH1 ARG 3 2HH2 ARG 3 0.218 -16.981 5.638 42 1HH2 ARG 3 1HH1 ARG 3 0.431 -20.486 5.281 43 2HH2 ARG 3 2HH1 ARG 3 0.492 -19.151 6.401 44 H THR 4 H THR 4 -5.182 -15.101 1.159 45 HA THR 4 HA THR 4 -5.067 -12.982 -0.696 46 HB THR 4 HB THR 4 -7.101 -13.827 0.328 47 HG1 THR 4 HG1 THR 4 -6.696 -11.098 0.941 48 1HG2 THR 4 1HG2 THR 4 -6.257 -12.366 2.864 49 2HG2 THR 4 2HG2 THR 4 -7.785 -13.216 2.564 50 3HG2 THR 4 3HG2 THR 4 -6.271 -14.136 2.675 51 HA PRO 5 HA PRO 5 -2.173 -10.160 1.238 52 1HB PRO 5 1HB PRO 5 -3.124 -7.713 0.388 53 2HB PRO 5 2HB PRO 5 -2.244 -8.878 -0.648 54 1HG PRO 5 1HG PRO 5 -5.240 -8.535 -0.359 55 2HG PRO 5 2HG PRO 5 -4.286 -8.577 -1.871 56 1HD PRO 5 1HD PRO 5 -5.509 -10.789 -1.017 57 2HD PRO 5 2HD PRO 5 -3.825 -10.934 -1.571 58 H LYS 6 H LYS 6 -2.068 -9.843 3.351 59 HA LYS 6 HA LYS 6 -4.257 -8.621 4.912 60 1HB LYS 6 1HB LYS 6 -2.884 -10.544 5.788 61 2HB LYS 6 2HB LYS 6 -1.461 -9.491 5.714 62 1HG LYS 6 1HG LYS 6 -2.892 -7.824 7.121 63 2HG LYS 6 2HG LYS 6 -3.947 -9.211 7.428 64 1HD LYS 6 1HD LYS 6 -2.041 -10.460 8.397 65 2HD LYS 6 2HD LYS 6 -0.937 -9.137 7.958 66 1HE LYS 6 1HE LYS 6 -2.289 -7.581 9.404 67 2HE LYS 6 2HE LYS 6 -3.235 -8.977 9.955 68 1HZ LYS 6 1HZ LYS 6 -1.204 -9.912 10.810 69 2HZ LYS 6 2HZ LYS 6 -0.331 -8.627 10.254 70 3HZ LYS 6 3HZ LYS 6 -1.451 -8.408 11.441 71 H ILE 7 H ILE 7 -4.408 -6.463 4.504 72 HA ILE 7 HA ILE 7 -2.062 -4.839 3.869 73 HB ILE 7 HB ILE 7 -3.581 -3.096 3.415 74 1HG1 ILE 7 1HG1 ILE 7 -6.161 -3.744 3.608 75 2HG1 ILE 7 2HG1 ILE 7 -5.617 -4.664 5.008 76 1HG2 ILE 7 1HG2 ILE 7 -4.867 -5.670 2.439 77 2HG2 ILE 7 2HG2 ILE 7 -4.871 -4.083 1.664 78 3HG2 ILE 7 3HG2 ILE 7 -3.355 -4.984 1.801 79 1HD1 ILE 7 1HD1 ILE 7 -4.719 -2.531 5.998 80 2HD1 ILE 7 2HD1 ILE 7 -5.172 -1.669 4.519 81 3HD1 ILE 7 3HD1 ILE 7 -6.421 -2.372 5.557 82 H GLN 8 H GLN 8 -0.996 -3.389 5.298 83 HA GLN 8 HA GLN 8 -2.514 -2.398 7.594 84 1HB GLN 8 1HB GLN 8 -0.262 -2.464 8.769 85 2HB GLN 8 2HB GLN 8 -1.278 -3.910 8.808 86 1HG GLN 8 1HG GLN 8 1.057 -3.537 6.908 87 2HG GLN 8 2HG GLN 8 1.215 -4.249 8.519 88 1HE2 GLN 8 2HE2 GLN 8 1.641 -5.389 5.719 89 2HE2 GLN 8 1HE2 GLN 8 0.672 -6.853 5.733 90 H VAL 9 H VAL 9 -2.906 -0.597 6.309 91 HA VAL 9 HA VAL 9 -0.604 0.826 5.110 92 HB VAL 9 HB VAL 9 -3.584 1.305 4.793 93 1HG1 VAL 9 1HG1 VAL 9 -1.149 2.425 3.324 94 2HG1 VAL 9 2HG1 VAL 9 -2.835 2.659 2.832 95 3HG1 VAL 9 3HG1 VAL 9 -2.251 3.330 4.367 96 1HG2 VAL 9 1HG2 VAL 9 -1.584 -0.125 2.982 97 2HG2 VAL 9 2HG2 VAL 9 -2.942 -0.872 3.836 98 3HG2 VAL 9 3HG2 VAL 9 -3.252 0.294 2.546 99 H TYR 10 H TYR 10 0.420 2.040 6.595 100 HA TYR 10 HA TYR 10 -1.187 3.622 8.563 101 1HB TYR 10 1HB TYR 10 0.733 3.373 10.046 102 2HB TYR 10 2HB TYR 10 -0.118 1.890 9.654 103 HD1 TYR 10 HD1 TYR 10 0.966 0.053 8.588 104 HD2 TYR 10 HD2 TYR 10 3.053 3.774 9.168 105 HE1 TYR 10 HE1 TYR 10 3.076 -1.024 7.868 106 HE2 TYR 10 HE2 TYR 10 5.178 2.678 8.497 107 HH TYR 10 HH TYR 10 5.308 -0.720 7.381 108 H SER 11 H SER 11 -0.288 5.590 9.301 109 HA SER 11 HA SER 11 1.353 7.151 7.421 110 1HB SER 11 1HB SER 11 0.896 8.956 9.133 111 2HB SER 11 2HB SER 11 -0.527 8.282 8.328 112 HG SER 11 HG SER 11 -0.774 8.463 10.616 113 H ARG 12 H ARG 12 3.557 7.379 7.776 114 HA ARG 12 HA ARG 12 4.791 6.053 10.081 115 1HB ARG 12 1HB ARG 12 5.567 6.335 7.508 116 2HB ARG 12 2HB ARG 12 6.426 7.712 8.204 117 1HG ARG 12 1HG ARG 12 6.606 4.798 9.086 118 2HG ARG 12 2HG ARG 12 7.802 5.683 8.127 119 1HD ARG 12 1HD ARG 12 8.186 7.232 10.034 120 2HD ARG 12 2HD ARG 12 7.011 6.305 10.996 121 HE ARG 12 HE ARG 12 9.067 4.612 9.916 122 1HH1 ARG 12 1HH2 ARG 12 8.420 6.935 12.525 123 2HH1 ARG 12 2HH2 ARG 12 9.533 6.185 13.640 124 1HH2 ARG 12 1HH1 ARG 12 10.518 3.636 11.389 125 2HH2 ARG 12 2HH1 ARG 12 10.736 4.300 12.988 126 H HIS 13 H HIS 13 4.594 9.323 8.683 127 HA HIS 13 HA HIS 13 5.626 10.637 11.150 128 1HB HIS 13 1HB HIS 13 5.303 11.463 8.252 129 2HB HIS 13 2HB HIS 13 5.883 12.550 9.515 130 HD2 HIS 13 HD2 HIS 13 7.976 12.426 7.383 131 HE1 HIS 13 HE1 HIS 13 9.777 9.132 9.337 132 HE2 HIS 13 HE2 HIS 13 10.134 10.950 7.580 133 HA PRO 14 HA PRO 14 1.559 12.268 11.893 134 1HB PRO 14 1HB PRO 14 1.926 14.745 12.965 135 2HB PRO 14 2HB PRO 14 2.450 13.241 13.771 136 1HG PRO 14 1HG PRO 14 4.143 15.111 12.102 137 2HG PRO 14 2HG PRO 14 4.511 14.444 13.717 138 1HD PRO 14 1HD PRO 14 5.486 13.339 11.443 139 2HD PRO 14 2HD PRO 14 5.013 12.310 12.813 140 H ALA 15 H ALA 15 0.190 12.654 10.250 141 HA ALA 15 HA ALA 15 0.840 13.916 7.842 142 1HB ALA 15 1HB ALA 15 -1.926 13.349 8.952 143 2HB ALA 15 2HB ALA 15 -1.465 13.528 7.245 144 3HB ALA 15 3HB ALA 15 -0.872 12.147 8.191 145 H GLU 16 H GLU 16 1.076 15.977 7.333 146 HA GLU 16 HA GLU 16 -0.769 18.058 8.347 147 1HB GLU 16 1HB GLU 16 2.267 18.079 8.615 148 2HB GLU 16 2HB GLU 16 1.265 19.540 8.692 149 1HG GLU 16 1HG GLU 16 0.028 18.569 10.628 150 2HG GLU 16 2HG GLU 16 1.104 17.162 10.594 151 H ASN 17 H ASN 17 -1.327 19.452 6.724 152 HA ASN 17 HA ASN 17 -0.573 18.925 4.042 153 1HB ASN 17 1HB ASN 17 -1.970 20.848 3.533 154 2HB ASN 17 2HB ASN 17 -2.759 19.828 4.733 155 1HD2 ASN 17 2HD2 ASN 17 -1.645 23.030 4.029 156 2HD2 ASN 17 1HD2 ASN 17 -1.985 23.719 5.601 157 H GLY 18 H GLY 18 0.776 20.021 2.626 158 1HA GLY 18 1HA GLY 18 2.457 21.428 1.918 159 2HA GLY 18 2HA GLY 18 2.373 22.333 3.434 160 H LYS 19 H LYS 19 2.822 20.380 5.323 161 HA LYS 19 HA LYS 19 5.688 20.024 5.147 162 1HB LYS 19 1HB LYS 19 4.531 20.828 7.095 163 2HB LYS 19 2HB LYS 19 3.649 19.288 7.174 164 1HG LYS 19 1HG LYS 19 5.420 19.484 8.889 165 2HG LYS 19 2HG LYS 19 5.674 18.094 7.850 166 1HD LYS 19 1HD LYS 19 7.080 20.689 7.168 167 2HD LYS 19 2HD LYS 19 7.633 19.749 8.559 168 1HE LYS 19 1HE LYS 19 7.937 17.736 7.182 169 2HE LYS 19 2HE LYS 19 7.412 18.607 5.738 170 1HZ LYS 19 1HZ LYS 19 9.768 19.214 7.363 171 2HZ LYS 19 2HZ LYS 19 9.747 18.546 5.858 172 3HZ LYS 19 3HZ LYS 19 9.257 20.105 6.069 173 H SER 20 H SER 20 5.497 18.728 3.451 174 HA SER 20 HA SER 20 4.664 16.329 2.739 175 1HB SER 20 1HB SER 20 6.843 15.695 1.763 176 2HB SER 20 2HB SER 20 6.299 17.340 1.428 177 HG SER 20 HG SER 20 8.119 16.598 3.489 178 H ASN 21 H ASN 21 4.518 14.374 3.487 179 HA ASN 21 HA ASN 21 5.705 13.745 6.146 180 1HB ASN 21 1HB ASN 21 3.228 14.491 5.661 181 2HB ASN 21 2HB ASN 21 3.009 12.838 5.122 182 1HD2 ASN 21 2HD2 ASN 21 2.150 11.624 6.790 183 2HD2 ASN 21 1HD2 ASN 21 2.518 11.813 8.484 184 H PHE 22 H PHE 22 4.283 11.011 6.031 185 HA PHE 22 HA PHE 22 5.522 9.727 3.755 186 1HB PHE 22 1HB PHE 22 6.939 9.709 6.285 187 2HB PHE 22 2HB PHE 22 6.439 8.079 5.868 188 HD1 PHE 22 HD1 PHE 22 6.891 7.193 3.509 189 HD2 PHE 22 HD2 PHE 22 8.845 10.674 5.135 190 HE1 PHE 22 HE1 PHE 22 8.654 7.016 1.772 191 HE2 PHE 22 HE2 PHE 22 10.629 10.464 3.427 192 HZ PHE 22 HZ PHE 22 10.515 8.661 1.718 193 H LEU 23 H LEU 23 4.125 8.434 2.978 194 HA LEU 23 HA LEU 23 1.997 7.148 4.606 195 1HB LEU 23 1HB LEU 23 1.169 8.599 2.906 196 2HB LEU 23 2HB LEU 23 2.281 7.948 1.704 197 HG LEU 23 HG LEU 23 0.967 5.806 1.804 198 1HD1 LEU 23 1HD1 LEU 23 -0.722 7.474 3.713 199 2HD1 LEU 23 2HD1 LEU 23 -1.237 5.932 2.987 200 3HD1 LEU 23 3HD1 LEU 23 0.125 5.967 4.119 201 1HD2 LEU 23 1HD2 LEU 23 0.433 7.617 0.164 202 2HD2 LEU 23 2HD2 LEU 23 -1.046 6.781 0.681 203 3HD2 LEU 23 3HD2 LEU 23 -0.636 8.373 1.358 204 H ASN 24 H ASN 24 2.230 4.980 4.957 205 HA ASN 24 HA ASN 24 4.154 3.422 3.258 206 1HB ASN 24 1HB ASN 24 3.618 3.498 6.227 207 2HB ASN 24 2HB ASN 24 4.356 2.108 5.412 208 1HD2 ASN 24 2HD2 ASN 24 5.059 5.591 4.660 209 2HD2 ASN 24 1HD2 ASN 24 6.729 5.479 5.159 210 H CYS 25 H CYS 25 2.635 2.453 1.875 211 HA CYS 25 HA CYS 25 0.471 0.855 3.098 212 1HB CYS 25 1HB CYS 25 1.475 0.558 0.268 213 2HB CYS 25 2HB CYS 25 -0.019 -0.014 0.988 214 H TYR 26 H TYR 26 1.011 -1.063 4.061 215 HA TYR 26 HA TYR 26 3.386 -2.555 3.056 216 1HB TYR 26 1HB TYR 26 3.907 -1.555 5.249 217 2HB TYR 26 2HB TYR 26 2.428 -2.173 5.909 218 HD1 TYR 26 HD1 TYR 26 3.367 -3.472 7.710 219 HD2 TYR 26 HD2 TYR 26 4.848 -4.061 3.716 220 HE1 TYR 26 HE1 TYR 26 4.145 -5.744 8.331 221 HE2 TYR 26 HE2 TYR 26 5.629 -6.308 4.322 222 HH TYR 26 HH TYR 26 5.931 -7.834 6.024 223 H VAL 27 H VAL 27 2.786 -4.516 2.300 224 HA VAL 27 HA VAL 27 0.197 -5.677 3.232 225 HB VAL 27 HB VAL 27 1.350 -5.954 0.420 226 1HG1 VAL 27 1HG1 VAL 27 -1.481 -6.385 1.471 227 2HG1 VAL 27 2HG1 VAL 27 -0.812 -6.883 -0.099 228 3HG1 VAL 27 3HG1 VAL 27 -0.307 -7.691 1.393 229 1HG2 VAL 27 1HG2 VAL 27 -0.838 -4.098 1.351 230 2HG2 VAL 27 2HG2 VAL 27 0.747 -3.602 0.716 231 3HG2 VAL 27 3HG2 VAL 27 -0.386 -4.461 -0.342 232 H SER 28 H SER 28 0.362 -7.876 3.771 233 HA SER 28 HA SER 28 2.591 -9.417 2.819 234 1HB SER 28 1HB SER 28 3.568 -9.942 5.032 235 2HB SER 28 2HB SER 28 3.676 -8.219 4.749 236 HG SER 28 HG SER 28 2.319 -7.855 6.304 237 H GLY 29 H GLY 29 2.558 -11.607 4.428 238 1HA GLY 29 1HA GLY 29 1.310 -13.382 5.190 239 2HA GLY 29 2HA GLY 29 -0.187 -12.476 4.947 240 H PHE 30 H PHE 30 0.567 -11.796 2.118 241 HA PHE 30 HA PHE 30 -0.810 -13.966 0.918 242 1HB PHE 30 1HB PHE 30 -0.743 -12.657 -1.092 243 2HB PHE 30 2HB PHE 30 -1.194 -11.700 0.276 244 HD1 PHE 30 HD1 PHE 30 0.177 -9.742 0.951 245 HD2 PHE 30 HD2 PHE 30 1.463 -12.400 -2.188 246 HE1 PHE 30 HE1 PHE 30 1.978 -8.170 0.318 247 HE2 PHE 30 HE2 PHE 30 3.205 -10.793 -2.846 248 HZ PHE 30 HZ PHE 30 3.463 -8.691 -1.588 249 H HIS 31 H HIS 31 -0.123 -15.013 -1.070 250 HA HIS 31 HA HIS 31 2.413 -14.705 -2.248 251 1HB HIS 31 1HB HIS 31 3.598 -16.569 -1.911 252 2HB HIS 31 2HB HIS 31 2.934 -16.383 -0.303 253 HD2 HIS 31 HD2 HIS 31 1.755 -18.436 -3.512 254 HE1 HIS 31 HE1 HIS 31 1.852 -20.945 -0.111 255 HE2 HIS 31 HE2 HIS 31 1.321 -20.855 -2.611 256 HA PRO 32 HA PRO 32 3.260 -16.185 -4.174 257 1HB PRO 32 1HB PRO 32 3.219 -16.250 -6.889 258 2HB PRO 32 2HB PRO 32 2.607 -17.601 -5.915 259 1HG PRO 32 1HG PRO 32 0.982 -15.331 -7.105 260 2HG PRO 32 2HG PRO 32 0.733 -17.090 -7.336 261 1HD PRO 32 1HD PRO 32 -0.597 -15.658 -5.403 262 2HD PRO 32 2HD PRO 32 -0.099 -17.350 -5.147 263 H SER 33 H SER 33 4.233 -14.720 -6.429 264 HA SER 33 HA SER 33 4.656 -12.261 -5.042 265 1HB SER 33 1HB SER 33 6.394 -11.956 -6.758 266 2HB SER 33 2HB SER 33 6.407 -13.656 -6.240 267 HG SER 33 HG SER 33 5.117 -14.124 -8.086 268 H ASP 34 H ASP 34 2.391 -12.984 -7.559 269 HA ASP 34 HA ASP 34 2.765 -10.509 -8.979 270 1HB ASP 34 1HB ASP 34 2.077 -12.570 -10.078 271 2HB ASP 34 2HB ASP 34 0.585 -12.618 -9.136 272 H ILE 35 H ILE 35 2.547 -8.987 -7.199 273 HA ILE 35 HA ILE 35 -0.288 -8.138 -6.916 274 HB ILE 35 HB ILE 35 0.571 -9.083 -4.900 275 1HG1 ILE 35 1HG1 ILE 35 0.185 -6.097 -4.527 276 2HG1 ILE 35 2HG1 ILE 35 -1.121 -7.230 -4.825 277 1HG2 ILE 35 1HG2 ILE 35 2.942 -8.471 -5.145 278 2HG2 ILE 35 2HG2 ILE 35 2.498 -6.776 -4.759 279 3HG2 ILE 35 3HG2 ILE 35 2.257 -8.074 -3.568 280 1HD1 ILE 35 1HD1 ILE 35 -0.290 -8.534 -2.766 281 2HD1 ILE 35 2HD1 ILE 35 0.688 -7.119 -2.396 282 3HD1 ILE 35 3HD1 ILE 35 -1.066 -6.953 -2.489 283 H GLU 36 H GLU 36 -0.766 -6.036 -6.952 284 HA GLU 36 HA GLU 36 1.227 -4.080 -7.974 285 1HB GLU 36 1HB GLU 36 -1.683 -4.133 -8.761 286 2HB GLU 36 2HB GLU 36 -0.296 -3.350 -9.534 287 1HG GLU 36 1HG GLU 36 0.573 -5.682 -10.045 288 2HG GLU 36 2HG GLU 36 -0.933 -6.325 -9.412 289 H VAL 37 H VAL 37 1.271 -2.180 -6.809 290 HA VAL 37 HA VAL 37 -1.057 -1.307 -5.212 291 HB VAL 37 HB VAL 37 1.704 -1.887 -4.093 292 1HG1 VAL 37 1HG1 VAL 37 -0.706 -0.885 -2.538 293 2HG1 VAL 37 2HG1 VAL 37 0.878 -1.311 -1.891 294 3HG1 VAL 37 3HG1 VAL 37 0.718 0.104 -2.932 295 1HG2 VAL 37 1HG2 VAL 37 0.535 -3.950 -4.244 296 2HG2 VAL 37 2HG2 VAL 37 0.256 -3.436 -2.574 297 3HG2 VAL 37 3HG2 VAL 37 -1.014 -3.209 -3.770 298 H ASP 38 H ASP 38 -1.153 0.200 -6.910 299 HA ASP 38 HA ASP 38 0.854 2.330 -7.078 300 1HB ASP 38 1HB ASP 38 -1.990 2.320 -8.181 301 2HB ASP 38 2HB ASP 38 -0.614 3.308 -8.664 302 H LEU 39 H LEU 39 0.806 4.159 -5.746 303 HA LEU 39 HA LEU 39 -1.399 4.405 -3.781 304 1HB LEU 39 1HB LEU 39 1.199 5.955 -4.067 305 2HB LEU 39 2HB LEU 39 -0.061 6.200 -2.846 306 HG LEU 39 HG LEU 39 0.339 3.511 -2.558 307 1HD1 LEU 39 1HD1 LEU 39 3.098 4.639 -3.145 308 2HD1 LEU 39 2HD1 LEU 39 2.711 3.009 -2.562 309 3HD1 LEU 39 3HD1 LEU 39 2.235 3.490 -4.196 310 1HD2 LEU 39 1HD2 LEU 39 0.275 5.065 -0.725 311 2HD2 LEU 39 2HD2 LEU 39 1.809 4.169 -0.604 312 3HD2 LEU 39 3HD2 LEU 39 1.791 5.814 -1.254 313 H LEU 40 H LEU 40 -2.934 6.022 -3.890 314 HA LEU 40 HA LEU 40 -3.166 7.458 -6.474 315 1HB LEU 40 1HB LEU 40 -3.707 4.908 -6.526 316 2HB LEU 40 2HB LEU 40 -5.095 5.324 -5.542 317 HG LEU 40 HG LEU 40 -5.757 5.097 -7.817 318 1HD1 LEU 40 1HD1 LEU 40 -5.667 8.106 -7.349 319 2HD1 LEU 40 2HD1 LEU 40 -6.822 7.196 -8.327 320 3HD1 LEU 40 3HD1 LEU 40 -6.816 6.994 -6.564 321 1HD2 LEU 40 1HD2 LEU 40 -3.439 5.528 -8.758 322 2HD2 LEU 40 2HD2 LEU 40 -4.784 6.216 -9.691 323 3HD2 LEU 40 3HD2 LEU 40 -3.819 7.261 -8.648 324 H LYS 41 H LYS 41 -3.856 9.498 -5.797 325 HA LYS 41 HA LYS 41 -5.146 9.803 -3.270 326 1HB LYS 41 1HB LYS 41 -4.596 11.768 -5.504 327 2HB LYS 41 2HB LYS 41 -4.896 12.165 -3.787 328 1HG LYS 41 1HG LYS 41 -2.884 11.305 -3.079 329 2HG LYS 41 2HG LYS 41 -2.591 10.324 -4.514 330 1HD LYS 41 1HD LYS 41 -1.168 12.193 -4.518 331 2HD LYS 41 2HD LYS 41 -2.215 12.215 -5.923 332 1HE LYS 41 1HE LYS 41 -3.600 13.919 -5.102 333 2HE LYS 41 2HE LYS 41 -3.034 13.712 -3.431 334 1HZ LYS 41 1HZ LYS 41 -0.946 14.623 -4.043 335 2HZ LYS 41 2HZ LYS 41 -1.395 14.761 -5.629 336 3HZ LYS 41 3HZ LYS 41 -2.135 15.684 -4.475 337 H ASN 42 H ASN 42 -6.635 12.158 -4.778 338 HA ASN 42 HA ASN 42 -9.266 10.997 -4.715 339 1HB ASN 42 1HB ASN 42 -10.046 13.160 -5.250 340 2HB ASN 42 2HB ASN 42 -8.660 13.420 -4.190 341 1HD2 ASN 42 2HD2 ASN 42 -6.447 13.743 -5.511 342 2HD2 ASN 42 1HD2 ASN 42 -6.593 14.742 -6.937 343 H GLY 43 H GLY 43 -6.950 11.857 -7.282 344 1HA GLY 43 1HA GLY 43 -7.803 9.724 -8.961 345 2HA GLY 43 2HA GLY 43 -8.452 11.259 -9.580 346 H GLU 44 H GLU 44 -5.382 10.715 -7.835 347 HA GLU 44 HA GLU 44 -3.772 11.283 -10.278 348 1HB GLU 44 1HB GLU 44 -4.075 13.400 -9.172 349 2HB GLU 44 2HB GLU 44 -3.686 12.708 -7.594 350 1HG GLU 44 1HG GLU 44 -1.359 12.225 -8.399 351 2HG GLU 44 2HG GLU 44 -1.773 12.956 -9.958 352 H ARG 45 H ARG 45 -2.417 9.619 -10.520 353 HA ARG 45 HA ARG 45 -1.744 7.838 -8.309 354 1HB ARG 45 1HB ARG 45 -2.222 7.005 -10.605 355 2HB ARG 45 2HB ARG 45 -0.764 7.828 -11.185 356 1HG ARG 45 1HG ARG 45 0.649 6.487 -9.704 357 2HG ARG 45 2HG ARG 45 -0.768 5.751 -8.937 358 1HD ARG 45 1HD ARG 45 -0.084 5.474 -11.889 359 2HD ARG 45 2HD ARG 45 0.413 4.332 -10.618 360 HE ARG 45 HE ARG 45 -2.426 4.782 -10.556 361 1HH1 ARG 45 1HH2 ARG 45 0.094 3.010 -12.321 362 2HH1 ARG 45 2HH2 ARG 45 -0.952 1.678 -12.733 363 1HH2 ARG 45 1HH1 ARG 45 -3.791 3.024 -11.107 364 2HH2 ARG 45 2HH1 ARG 45 -3.168 1.689 -12.042 365 H ILE 46 H ILE 46 0.070 7.823 -7.106 366 HA ILE 46 HA ILE 46 2.053 9.939 -7.404 367 HB ILE 46 HB ILE 46 1.371 7.775 -5.387 368 1HG1 ILE 46 1HG1 ILE 46 1.102 10.765 -4.948 369 2HG1 ILE 46 2HG1 ILE 46 -0.194 9.888 -5.762 370 1HG2 ILE 46 1HG2 ILE 46 3.411 10.007 -5.303 371 2HG2 ILE 46 2HG2 ILE 46 2.901 9.019 -3.903 372 3HG2 ILE 46 3HG2 ILE 46 3.734 8.251 -5.269 373 1HD1 ILE 46 1HD1 ILE 46 -0.338 8.289 -3.859 374 2HD1 ILE 46 2HD1 ILE 46 0.820 9.305 -2.962 375 3HD1 ILE 46 3HD1 ILE 46 -0.746 9.943 -3.490 376 H GLU 47 H GLU 47 3.392 9.350 -9.085 377 HA GLU 47 HA GLU 47 4.221 6.608 -9.582 378 1HB GLU 47 1HB GLU 47 5.186 9.268 -10.706 379 2HB GLU 47 2HB GLU 47 5.674 7.664 -11.282 380 1HG GLU 47 1HG GLU 47 3.235 7.139 -11.700 381 2HG GLU 47 2HG GLU 47 2.852 8.831 -11.352 382 H LYS 48 H LYS 48 5.351 9.195 -7.521 383 HA LYS 48 HA LYS 48 8.117 8.245 -7.334 384 1HB LYS 48 1HB LYS 48 6.480 10.455 -6.057 385 2HB LYS 48 2HB LYS 48 8.070 10.011 -5.432 386 1HG LYS 48 1HG LYS 48 8.214 11.897 -6.933 387 2HG LYS 48 2HG LYS 48 9.173 10.521 -7.495 388 1HD LYS 48 1HD LYS 48 7.523 9.963 -9.189 389 2HD LYS 48 2HD LYS 48 6.399 11.196 -8.585 390 1HE LYS 48 1HE LYS 48 9.164 11.725 -9.782 391 2HE LYS 48 2HE LYS 48 7.632 11.833 -10.663 392 1HZ LYS 48 1HZ LYS 48 8.406 13.486 -8.367 393 2HZ LYS 48 2HZ LYS 48 8.312 13.962 -9.942 394 3HZ LYS 48 3HZ LYS 48 6.943 13.541 -9.127 395 H VAL 49 H VAL 49 7.305 6.023 -6.847 396 HA VAL 49 HA VAL 49 6.687 5.616 -3.950 397 HB VAL 49 HB VAL 49 6.516 3.635 -6.250 398 1HG1 VAL 49 1HG1 VAL 49 6.835 2.561 -4.071 399 2HG1 VAL 49 2HG1 VAL 49 5.538 3.545 -3.360 400 3HG1 VAL 49 3HG1 VAL 49 5.169 2.334 -4.604 401 1HG2 VAL 49 1HG2 VAL 49 4.364 5.363 -4.971 402 2HG2 VAL 49 2HG2 VAL 49 4.867 5.319 -6.674 403 3HG2 VAL 49 3HG2 VAL 49 4.032 3.931 -5.973 404 H GLU 50 H GLU 50 8.318 4.805 -2.681 405 HA GLU 50 HA GLU 50 10.643 3.440 -3.956 406 1HB GLU 50 1HB GLU 50 11.020 5.592 -2.554 407 2HB GLU 50 2HB GLU 50 10.607 4.586 -1.159 408 1HG GLU 50 1HG GLU 50 12.437 3.024 -1.761 409 2HG GLU 50 2HG GLU 50 12.832 4.061 -3.146 410 H HIS 51 H HIS 51 11.317 1.487 -2.653 411 HA HIS 51 HA HIS 51 9.135 0.375 -0.980 412 1HB HIS 51 1HB HIS 51 9.332 -1.810 -2.117 413 2HB HIS 51 2HB HIS 51 8.704 -0.543 -3.162 414 HD2 HIS 51 HD2 HIS 51 12.585 -1.370 -2.661 415 HE1 HIS 51 HE1 HIS 51 11.448 -2.157 -6.648 416 HE2 HIS 51 HE2 HIS 51 13.405 -2.136 -4.992 417 H SER 52 H SER 52 9.802 -1.595 0.121 418 HA SER 52 HA SER 52 12.675 -1.526 0.943 419 1HB SER 52 1HB SER 52 10.926 -1.209 2.724 420 2HB SER 52 2HB SER 52 10.364 -2.861 2.381 421 HG SER 52 HG SER 52 12.985 -2.101 3.177 422 H ASP 53 H ASP 53 11.265 -2.774 -1.514 423 HA ASP 53 HA ASP 53 11.588 -4.485 -2.883 424 1HB ASP 53 1HB ASP 53 13.798 -5.377 -0.984 425 2HB ASP 53 2HB ASP 53 13.573 -5.895 -2.649 426 H LEU 54 H LEU 54 11.631 -6.977 -3.100 427 HA LEU 54 HA LEU 54 9.456 -7.996 -1.513 428 1HB LEU 54 1HB LEU 54 10.013 -8.511 -3.985 429 2HB LEU 54 2HB LEU 54 11.158 -9.684 -3.341 430 HG LEU 54 HG LEU 54 9.143 -10.833 -3.837 431 1HD1 LEU 54 1HD1 LEU 54 10.172 -11.459 -1.651 432 2HD1 LEU 54 2HD1 LEU 54 8.908 -10.491 -0.851 433 3HD1 LEU 54 3HD1 LEU 54 8.459 -11.860 -1.830 434 1HD2 LEU 54 1HD2 LEU 54 7.529 -8.845 -2.197 435 2HD2 LEU 54 2HD2 LEU 54 7.620 -8.898 -3.971 436 3HD2 LEU 54 3HD2 LEU 54 6.913 -10.226 -3.061 437 H SER 55 H SER 55 9.651 -8.765 0.425 438 HA SER 55 HA SER 55 12.061 -10.292 1.304 439 1HB SER 55 1HB SER 55 12.078 -8.065 2.387 440 2HB SER 55 2HB SER 55 10.405 -8.300 2.921 441 HG SER 55 HG SER 55 12.662 -9.880 3.631 442 H PHE 56 H PHE 56 11.035 -12.292 0.825 443 HA PHE 56 HA PHE 56 8.309 -12.739 1.838 444 1HB PHE 56 1HB PHE 56 8.325 -14.767 0.705 445 2HB PHE 56 2HB PHE 56 8.903 -13.517 -0.363 446 HD1 PHE 56 HD1 PHE 56 11.389 -13.417 -0.913 447 HD2 PHE 56 HD2 PHE 56 9.450 -16.771 0.971 448 HE1 PHE 56 HE1 PHE 56 13.147 -14.929 -1.797 449 HE2 PHE 56 HE2 PHE 56 11.194 -18.284 0.069 450 HZ PHE 56 HZ PHE 56 13.055 -17.367 -1.300 451 H SER 57 H SER 57 10.759 -12.299 3.643 452 HA SER 57 HA SER 57 11.665 -12.981 5.543 453 1HB SER 57 1HB SER 57 9.328 -12.679 6.192 454 2HB SER 57 2HB SER 57 8.996 -14.403 5.923 455 HG SER 57 HG SER 57 10.327 -14.868 7.630 456 H LYS 58 H LYS 58 12.443 -14.770 3.393 457 HA LYS 58 HA LYS 58 11.770 -17.053 2.615 458 1HB LYS 58 1HB LYS 58 14.203 -16.032 2.895 459 2HB LYS 58 2HB LYS 58 14.366 -17.167 4.232 460 1HG LYS 58 1HG LYS 58 14.020 -19.056 2.734 461 2HG LYS 58 2HG LYS 58 13.615 -17.998 1.380 462 1HD LYS 58 1HD LYS 58 16.309 -17.679 2.721 463 2HD LYS 58 2HD LYS 58 16.028 -19.077 1.685 464 1HE LYS 58 1HE LYS 58 17.058 -17.320 0.379 465 2HE LYS 58 2HE LYS 58 15.432 -17.650 -0.225 466 1HZ LYS 58 1HZ LYS 58 16.193 -15.413 1.523 467 2HZ LYS 58 2HZ LYS 58 15.913 -15.319 -0.095 468 3HZ LYS 58 3HZ LYS 58 14.681 -15.700 0.929 469 H ASP 59 H ASP 59 10.061 -16.907 4.712 470 HA ASP 59 HA ASP 59 10.300 -19.598 5.916 471 1HB ASP 59 1HB ASP 59 8.428 -17.271 6.412 472 2HB ASP 59 2HB ASP 59 8.344 -18.854 7.219 473 H TRP 60 H TRP 60 7.105 -18.508 5.538 474 HA TRP 60 HA TRP 60 6.572 -19.671 2.896 475 1HB TRP 60 1HB TRP 60 5.164 -20.646 5.409 476 2HB TRP 60 2HB TRP 60 4.750 -21.055 3.743 477 HD1 TRP 60 HD1 TRP 60 7.305 -21.786 6.436 478 HE1 TRP 60 HE1 TRP 60 8.725 -23.854 5.780 479 HE3 TRP 60 HE3 TRP 60 5.726 -22.361 1.607 480 HZ2 TRP 60 HZ2 TRP 60 9.099 -25.509 3.482 481 HZ3 TRP 60 HZ3 TRP 60 6.641 -24.182 0.205 482 HH2 TRP 60 HH2 TRP 60 8.292 -25.784 1.139 483 H SER 61 H SER 61 6.648 -17.174 3.047 484 HA SER 61 HA SER 61 3.887 -16.205 3.032 485 1HB SER 61 1HB SER 61 4.775 -15.740 5.367 486 2HB SER 61 2HB SER 61 6.056 -14.757 4.632 487 HG SER 61 HG SER 61 3.247 -14.369 4.359 488 H PHE 62 H PHE 62 4.454 -13.560 2.451 489 HA PHE 62 HA PHE 62 6.608 -13.201 0.585 490 1HB PHE 62 1HB PHE 62 4.523 -14.691 -0.483 491 2HB PHE 62 2HB PHE 62 4.063 -13.059 -0.933 492 HD1 PHE 62 HD1 PHE 62 6.691 -15.680 -1.160 493 HD2 PHE 62 HD2 PHE 62 5.354 -11.852 -2.638 494 HE1 PHE 62 HE1 PHE 62 8.386 -15.782 -2.889 495 HE2 PHE 62 HE2 PHE 62 6.996 -11.996 -4.436 496 HZ PHE 62 HZ PHE 62 8.546 -13.947 -4.605 497 H TYR 63 H TYR 63 6.949 -10.927 0.706 498 HA TYR 63 HA TYR 63 4.625 -9.165 0.731 499 1HB TYR 63 1HB TYR 63 5.077 -8.167 2.947 500 2HB TYR 63 2HB TYR 63 4.569 -9.852 3.009 501 HD1 TYR 63 HD1 TYR 63 5.724 -11.510 4.147 502 HD2 TYR 63 HD2 TYR 63 7.466 -7.643 3.386 503 HE1 TYR 63 HE1 TYR 63 7.259 -11.829 6.031 504 HE2 TYR 63 HE2 TYR 63 9.105 -8.003 5.172 505 HH TYR 63 HH TYR 63 9.811 -9.420 6.876 506 H LEU 64 H LEU 64 5.312 -6.898 1.317 507 HA LEU 64 HA LEU 64 7.995 -6.052 0.969 508 1HB LEU 64 1HB LEU 64 7.905 -4.992 -1.206 509 2HB LEU 64 2HB LEU 64 7.694 -6.722 -1.377 510 HG LEU 64 HG LEU 64 5.608 -4.567 -1.666 511 1HD1 LEU 64 1HD1 LEU 64 6.554 -6.714 -3.622 512 2HD1 LEU 64 2HD1 LEU 64 5.384 -5.444 -3.966 513 3HD1 LEU 64 3HD1 LEU 64 7.074 -5.010 -3.662 514 1HD2 LEU 64 1HD2 LEU 64 5.314 -7.582 -1.587 515 2HD2 LEU 64 2HD2 LEU 64 4.323 -6.378 -0.704 516 3HD2 LEU 64 3HD2 LEU 64 4.148 -6.587 -2.451 517 H LEU 65 H LEU 65 8.163 -3.789 1.275 518 HA LEU 65 HA LEU 65 5.721 -2.439 2.290 519 1HB LEU 65 1HB LEU 65 8.114 -2.918 3.500 520 2HB LEU 65 2HB LEU 65 8.501 -1.394 2.695 521 HG LEU 65 HG LEU 65 6.195 -1.897 4.632 522 1HD1 LEU 65 1HD1 LEU 65 8.445 -2.000 5.634 523 2HD1 LEU 65 2HD1 LEU 65 8.824 -0.406 4.947 524 3HD1 LEU 65 3HD1 LEU 65 7.553 -0.567 6.182 525 1HD2 LEU 65 1HD2 LEU 65 7.094 0.553 3.092 526 2HD2 LEU 65 2HD2 LEU 65 5.461 -0.113 3.250 527 3HD2 LEU 65 3HD2 LEU 65 6.207 0.697 4.629 528 H TYR 66 H TYR 66 5.113 -0.473 1.289 529 HA TYR 66 HA TYR 66 6.705 0.417 -1.039 530 1HB TYR 66 1HB TYR 66 3.686 0.193 -1.255 531 2HB TYR 66 2HB TYR 66 4.894 0.203 -2.514 532 HD1 TYR 66 HD1 TYR 66 4.697 -1.779 -3.800 533 HD2 TYR 66 HD2 TYR 66 3.949 -2.067 0.456 534 HE1 TYR 66 HE1 TYR 66 3.461 -3.893 -4.110 535 HE2 TYR 66 HE2 TYR 66 2.820 -4.172 0.118 536 HH TYR 66 HH TYR 66 2.064 -5.440 -3.140 537 H TYR 67 H TYR 67 7.297 2.266 0.024 538 HA TYR 67 HA TYR 67 5.164 3.992 1.125 539 1HB TYR 67 1HB TYR 67 7.156 5.064 2.309 540 2HB TYR 67 2HB TYR 67 6.398 3.573 2.813 541 HD1 TYR 67 HD1 TYR 67 8.943 3.947 0.092 542 HD2 TYR 67 HD2 TYR 67 8.067 2.519 4.039 543 HE1 TYR 67 HE1 TYR 67 11.101 2.735 0.124 544 HE2 TYR 67 HE2 TYR 67 10.245 1.338 4.099 545 HH TYR 67 HH TYR 67 12.416 1.219 1.251 546 H THR 68 H THR 68 5.090 6.102 0.852 547 HA THR 68 HA THR 68 6.786 7.465 -1.218 548 HB THR 68 HB THR 68 4.668 6.704 -2.095 549 HG1 THR 68 HG1 THR 68 5.716 8.492 -2.952 550 1HG2 THR 68 1HG2 THR 68 2.612 7.923 -1.520 551 2HG2 THR 68 2HG2 THR 68 3.223 7.053 -0.091 552 3HG2 THR 68 3HG2 THR 68 3.443 8.812 -0.246 553 H GLU 69 H GLU 69 6.839 9.855 -0.930 554 HA GLU 69 HA GLU 69 6.518 10.797 1.861 555 1HB GLU 69 1HB GLU 69 7.773 12.846 0.675 556 2HB GLU 69 2HB GLU 69 8.583 11.460 1.376 557 1HG GLU 69 1HG GLU 69 9.567 12.043 -0.756 558 2HG GLU 69 2HG GLU 69 8.923 10.410 -0.772 559 H PHE 70 H PHE 70 4.155 10.691 1.588 560 HA PHE 70 HA PHE 70 2.898 12.307 -0.414 561 1HB PHE 70 1HB PHE 70 0.895 11.613 0.362 562 2HB PHE 70 2HB PHE 70 1.903 10.220 0.711 563 HD1 PHE 70 HD1 PHE 70 2.931 10.425 3.214 564 HD2 PHE 70 HD2 PHE 70 -0.711 12.320 1.928 565 HE1 PHE 70 HE1 PHE 70 1.983 10.208 5.505 566 HE2 PHE 70 HE2 PHE 70 -1.315 12.676 4.294 567 HZ PHE 70 HZ PHE 70 -0.014 11.556 6.095 568 H THR 71 H THR 71 2.094 14.261 -0.340 569 HA THR 71 HA THR 71 2.137 15.907 2.143 570 HB THR 71 HB THR 71 2.202 16.860 -0.692 571 HG1 THR 71 HG1 THR 71 4.388 17.066 -0.276 572 1HG2 THR 71 1HG2 THR 71 2.793 18.149 2.024 573 2HG2 THR 71 2HG2 THR 71 2.990 18.931 0.443 574 3HG2 THR 71 3HG2 THR 71 1.371 18.495 1.021 575 HA PRO 72 HA PRO 72 -2.365 15.406 1.117 576 1HB PRO 72 1HB PRO 72 -3.457 15.646 3.568 577 2HB PRO 72 2HB PRO 72 -2.497 14.228 3.082 578 1HG PRO 72 1HG PRO 72 -1.553 16.632 4.680 579 2HG PRO 72 2HG PRO 72 -1.297 14.912 5.060 580 1HD PRO 72 1HD PRO 72 0.549 16.499 3.738 581 2HD PRO 72 2HD PRO 72 0.432 14.738 3.467 582 H THR 73 H THR 73 -2.195 17.402 -0.175 583 HA THR 73 HA THR 73 -2.232 19.963 1.147 584 HB THR 73 HB THR 73 -2.501 20.940 -1.036 585 HG1 THR 73 HG1 THR 73 -2.932 18.283 -1.900 586 1HG2 THR 73 1HG2 THR 73 -0.442 20.164 -2.052 587 2HG2 THR 73 2HG2 THR 73 -0.251 20.170 -0.288 588 3HG2 THR 73 3HG2 THR 73 -0.507 18.638 -1.154 589 H GLU 74 H GLU 74 -3.880 20.942 2.056 590 HA GLU 74 HA GLU 74 -5.916 21.488 2.772 591 1HB GLU 74 1HB GLU 74 -6.514 21.283 -0.207 592 2HB GLU 74 2HB GLU 74 -7.598 22.014 0.993 593 1HG GLU 74 1HG GLU 74 -5.823 23.629 1.614 594 2HG GLU 74 2HG GLU 74 -4.749 22.921 0.396 595 H LYS 75 H LYS 75 -7.448 19.504 0.292 596 HA LYS 75 HA LYS 75 -8.628 17.799 2.447 597 1HB LYS 75 1HB LYS 75 -10.750 17.925 1.268 598 2HB LYS 75 2HB LYS 75 -10.199 19.525 1.770 599 1HG LYS 75 1HG LYS 75 -9.426 20.021 -0.524 600 2HG LYS 75 2HG LYS 75 -9.909 18.396 -1.054 601 1HD LYS 75 1HD LYS 75 -12.259 18.897 -0.429 602 2HD LYS 75 2HD LYS 75 -11.770 20.530 0.076 603 1HE LYS 75 1HE LYS 75 -10.984 21.004 -2.238 604 2HE LYS 75 2HE LYS 75 -11.476 19.373 -2.737 605 1HZ LYS 75 1HZ LYS 75 -13.264 21.466 -1.715 606 2HZ LYS 75 2HZ LYS 75 -13.117 20.999 -3.288 607 3HZ LYS 75 3HZ LYS 75 -13.724 19.950 -2.172 608 H ASP 76 H ASP 76 -6.272 17.302 0.620 609 HA ASP 76 HA ASP 76 -7.076 15.312 -1.292 610 1HB ASP 76 1HB ASP 76 -4.516 15.651 0.312 611 2HB ASP 76 2HB ASP 76 -4.766 14.409 -0.929 612 H GLU 77 H GLU 77 -7.560 13.200 -1.085 613 HA GLU 77 HA GLU 77 -7.285 11.844 1.566 614 1HB GLU 77 1HB GLU 77 -9.643 12.222 0.976 615 2HB GLU 77 2HB GLU 77 -9.401 11.385 -0.569 616 1HG GLU 77 1HG GLU 77 -8.783 9.307 0.670 617 2HG GLU 77 2HG GLU 77 -8.972 10.171 2.205 618 H TYR 78 H TYR 78 -5.290 10.966 1.217 619 HA TYR 78 HA TYR 78 -4.507 9.718 -1.281 620 1HB TYR 78 1HB TYR 78 -3.291 10.016 1.440 621 2HB TYR 78 2HB TYR 78 -2.646 8.845 0.284 622 HD1 TYR 78 HD1 TYR 78 -0.932 9.569 -1.116 623 HD2 TYR 78 HD2 TYR 78 -3.738 12.452 0.406 624 HE1 TYR 78 HE1 TYR 78 0.366 11.404 -2.185 625 HE2 TYR 78 HE2 TYR 78 -2.507 14.250 -0.783 626 HH TYR 78 HH TYR 78 -0.439 14.842 -1.662 627 H ALA 79 H ALA 79 -4.694 7.609 -1.844 628 HA ALA 79 HA ALA 79 -5.563 5.608 0.139 629 1HB ALA 79 1HB ALA 79 -7.650 6.408 -0.883 630 2HB ALA 79 2HB ALA 79 -6.983 6.179 -2.512 631 3HB ALA 79 3HB ALA 79 -7.293 4.778 -1.479 632 H CYS 80 H CYS 80 -5.554 3.367 -1.043 633 HA CYS 80 HA CYS 80 -3.049 3.217 -2.650 634 1HB CYS 80 1HB CYS 80 -2.823 3.105 -0.074 635 2HB CYS 80 2HB CYS 80 -3.514 1.487 -0.206 636 H ARG 81 H ARG 81 -3.331 1.963 -4.376 637 HA ARG 81 HA ARG 81 -5.627 0.282 -4.789 638 1HB ARG 81 1HB ARG 81 -4.375 1.279 -6.650 639 2HB ARG 81 2HB ARG 81 -2.934 0.382 -6.145 640 1HG ARG 81 1HG ARG 81 -4.164 -1.772 -6.555 641 2HG ARG 81 2HG ARG 81 -5.536 -0.825 -7.161 642 1HD ARG 81 1HD ARG 81 -4.073 0.063 -8.969 643 2HD ARG 81 2HD ARG 81 -2.706 -0.829 -8.245 644 HE ARG 81 HE ARG 81 -4.955 -2.535 -8.847 645 1HH1 ARG 81 1HH2 ARG 81 -2.052 -1.059 -10.329 646 2HH1 ARG 81 2HH2 ARG 81 -1.793 -2.434 -11.385 647 1HH2 ARG 81 1HH1 ARG 81 -4.635 -4.224 -10.331 648 2HH2 ARG 81 2HH1 ARG 81 -3.293 -4.175 -11.441 649 H VAL 82 H VAL 82 -5.837 -1.982 -4.283 650 HA VAL 82 HA VAL 82 -3.360 -3.447 -3.578 651 HB VAL 82 HB VAL 82 -6.038 -3.732 -2.147 652 1HG1 VAL 82 1HG1 VAL 82 -4.662 -5.798 -2.387 653 2HG1 VAL 82 2HG1 VAL 82 -3.287 -4.942 -1.657 654 3HG1 VAL 82 3HG1 VAL 82 -4.763 -5.248 -0.706 655 1HG2 VAL 82 1HG2 VAL 82 -3.426 -2.448 -1.217 656 2HG2 VAL 82 2HG2 VAL 82 -4.988 -1.626 -1.427 657 3HG2 VAL 82 3HG2 VAL 82 -4.799 -2.837 -0.167 658 H ASN 83 H ASN 83 -3.120 -4.974 -5.085 659 HA ASN 83 HA ASN 83 -5.468 -6.476 -6.055 660 1HB ASN 83 1HB ASN 83 -5.248 -4.431 -7.467 661 2HB ASN 83 2HB ASN 83 -3.673 -4.997 -8.002 662 1HD2 ASN 83 2HD2 ASN 83 -3.583 -6.776 -9.510 663 2HD2 ASN 83 1HD2 ASN 83 -5.033 -7.424 -10.249 664 H HIS 84 H HIS 84 -4.229 -8.035 -4.690 665 HA HIS 84 HA HIS 84 -1.714 -9.213 -5.715 666 1HB HIS 84 1HB HIS 84 -2.337 -9.326 -3.331 667 2HB HIS 84 2HB HIS 84 -3.816 -10.181 -3.768 668 HD2 HIS 84 HD2 HIS 84 0.108 -10.935 -4.178 669 HE1 HIS 84 HE1 HIS 84 -2.030 -14.512 -3.529 670 HE2 HIS 84 HE2 HIS 84 0.298 -13.496 -3.913 671 H VAL 85 H VAL 85 -1.923 -11.464 -6.748 672 HA VAL 85 HA VAL 85 -3.748 -11.589 -8.803 673 HB VAL 85 HB VAL 85 -1.647 -12.822 -8.676 674 1HG1 VAL 85 1HG1 VAL 85 -1.867 -13.798 -6.404 675 2HG1 VAL 85 2HG1 VAL 85 -3.137 -14.893 -7.001 676 3HG1 VAL 85 3HG1 VAL 85 -1.488 -15.008 -7.639 677 1HG2 VAL 85 1HG2 VAL 85 -3.356 -13.334 -10.399 678 2HG2 VAL 85 2HG2 VAL 85 -2.350 -14.733 -9.988 679 3HG2 VAL 85 3HG2 VAL 85 -4.004 -14.622 -9.361 680 H THR 86 H THR 86 -4.305 -12.822 -5.504 681 HA THR 86 HA THR 86 -6.625 -14.378 -6.067 682 HB THR 86 HB THR 86 -7.150 -13.981 -3.642 683 HG1 THR 86 HG1 THR 86 -6.220 -11.898 -3.486 684 1HG2 THR 86 1HG2 THR 86 -4.296 -14.790 -4.330 685 2HG2 THR 86 2HG2 THR 86 -5.135 -15.138 -2.801 686 3HG2 THR 86 3HG2 THR 86 -5.729 -15.833 -4.331 687 H LEU 87 H LEU 87 -6.204 -10.882 -5.461 688 HA LEU 87 HA LEU 87 -9.052 -10.307 -5.353 689 1HB LEU 87 1HB LEU 87 -6.573 -8.610 -5.695 690 2HB LEU 87 2HB LEU 87 -8.182 -7.952 -5.885 691 HG LEU 87 HG LEU 87 -8.836 -8.518 -3.637 692 1HD1 LEU 87 1HD1 LEU 87 -6.048 -9.700 -3.340 693 2HD1 LEU 87 2HD1 LEU 87 -7.124 -9.298 -1.982 694 3HD1 LEU 87 3HD1 LEU 87 -7.611 -10.539 -3.137 695 1HD2 LEU 87 1HD2 LEU 87 -7.702 -6.383 -4.112 696 2HD2 LEU 87 2HD2 LEU 87 -7.343 -6.937 -2.466 697 3HD2 LEU 87 3HD2 LEU 87 -6.129 -7.127 -3.750 698 H SER 88 H SER 88 -10.226 -10.909 -7.068 699 HA SER 88 HA SER 88 -9.404 -10.751 -9.818 700 1HB SER 88 1HB SER 88 -12.182 -10.938 -8.583 701 2HB SER 88 2HB SER 88 -11.756 -11.275 -10.273 702 HG SER 88 HG SER 88 -10.699 -12.643 -8.015 703 H GLN 89 H GLN 89 -10.282 -8.279 -7.597 704 HA GLN 89 HA GLN 89 -10.629 -6.348 -9.779 705 1HB GLN 89 1HB GLN 89 -12.573 -6.620 -7.457 706 2HB GLN 89 2HB GLN 89 -12.451 -5.206 -8.520 707 1HG GLN 89 1HG GLN 89 -12.911 -6.688 -10.489 708 2HG GLN 89 2HG GLN 89 -13.201 -8.036 -9.371 709 1HE2 GLN 89 2HE2 GLN 89 -15.207 -7.515 -11.046 710 2HE2 GLN 89 1HE2 GLN 89 -16.522 -6.688 -10.239 711 HA PRO 90 HA PRO 90 -7.617 -4.607 -7.025 712 1HB PRO 90 1HB PRO 90 -7.299 -2.097 -8.053 713 2HB PRO 90 2HB PRO 90 -6.817 -3.566 -8.947 714 1HG PRO 90 1HG PRO 90 -9.396 -2.022 -9.263 715 2HG PRO 90 2HG PRO 90 -8.263 -2.551 -10.539 716 1HD PRO 90 1HD PRO 90 -10.472 -4.007 -9.899 717 2HD PRO 90 2HD PRO 90 -8.929 -4.811 -10.326 718 H LYS 91 H LYS 91 -8.204 -4.261 -4.967 719 HA LYS 91 HA LYS 91 -10.522 -2.581 -4.252 720 1HB LYS 91 1HB LYS 91 -8.581 -4.259 -2.607 721 2HB LYS 91 2HB LYS 91 -9.944 -3.364 -1.941 722 1HG LYS 91 1HG LYS 91 -10.057 -5.691 -3.909 723 2HG LYS 91 2HG LYS 91 -10.495 -5.730 -2.206 724 1HD LYS 91 1HD LYS 91 -11.947 -4.303 -4.475 725 2HD LYS 91 2HD LYS 91 -12.503 -5.689 -3.549 726 1HE LYS 91 1HE LYS 91 -12.127 -2.855 -2.460 727 2HE LYS 91 2HE LYS 91 -13.658 -3.636 -2.854 728 1HZ LYS 91 1HZ LYS 91 -13.232 -5.245 -1.154 729 2HZ LYS 91 2HZ LYS 91 -11.785 -4.543 -0.786 730 3HZ LYS 91 3HZ LYS 91 -13.188 -3.721 -0.530 731 H ILE 92 H ILE 92 -10.142 -0.435 -4.340 732 HA ILE 92 HA ILE 92 -7.488 0.624 -3.777 733 HB ILE 92 HB ILE 92 -9.999 2.215 -4.323 734 1HG1 ILE 92 1HG1 ILE 92 -9.945 0.660 -6.152 735 2HG1 ILE 92 2HG1 ILE 92 -9.373 2.227 -6.703 736 1HG2 ILE 92 1HG2 ILE 92 -8.040 3.449 -3.511 737 2HG2 ILE 92 2HG2 ILE 92 -7.009 2.698 -4.735 738 3HG2 ILE 92 3HG2 ILE 92 -8.306 3.808 -5.228 739 1HD1 ILE 92 1HD1 ILE 92 -7.608 -0.175 -6.050 740 2HD1 ILE 92 2HD1 ILE 92 -8.037 0.417 -7.659 741 3HD1 ILE 92 3HD1 ILE 92 -7.023 1.413 -6.606 742 H VAL 93 H VAL 93 -7.414 -0.297 -1.647 743 HA VAL 93 HA VAL 93 -9.186 0.466 0.468 744 HB VAL 93 HB VAL 93 -6.327 -0.593 0.493 745 1HG1 VAL 93 1HG1 VAL 93 -8.354 -0.311 2.754 746 2HG1 VAL 93 2HG1 VAL 93 -6.877 -1.290 2.838 747 3HG1 VAL 93 3HG1 VAL 93 -6.754 0.460 2.646 748 1HG2 VAL 93 1HG2 VAL 93 -7.931 -2.168 -0.539 749 2HG2 VAL 93 2HG2 VAL 93 -7.411 -2.751 1.044 750 3HG2 VAL 93 3HG2 VAL 93 -9.010 -2.002 0.863 751 H LYS 94 H LYS 94 -9.441 2.553 1.097 752 HA LYS 94 HA LYS 94 -7.389 4.543 0.814 753 1HB LYS 94 1HB LYS 94 -8.799 5.999 2.107 754 2HB LYS 94 2HB LYS 94 -9.673 5.222 0.783 755 1HG LYS 94 1HG LYS 94 -10.758 3.672 2.363 756 2HG LYS 94 2HG LYS 94 -9.832 4.370 3.715 757 1HD LYS 94 1HD LYS 94 -10.812 6.579 3.285 758 2HD LYS 94 2HD LYS 94 -11.696 5.945 1.883 759 1HE LYS 94 1HE LYS 94 -12.959 4.421 3.413 760 2HE LYS 94 2HE LYS 94 -12.105 5.142 4.794 761 1HZ LYS 94 1HZ LYS 94 -13.021 7.266 4.139 762 2HZ LYS 94 2HZ LYS 94 -13.839 6.566 2.896 763 3HZ LYS 94 3HZ LYS 94 -14.221 6.175 4.452 764 H TRP 95 H TRP 95 -6.078 5.476 2.365 765 HA TRP 95 HA TRP 95 -4.786 3.592 4.027 766 1HB TRP 95 1HB TRP 95 -3.303 5.069 3.204 767 2HB TRP 95 2HB TRP 95 -4.452 6.373 3.158 768 HD1 TRP 95 HD1 TRP 95 -3.040 4.812 6.412 769 HE1 TRP 95 HE1 TRP 95 -2.227 6.791 7.877 770 HE3 TRP 95 HE3 TRP 95 -3.434 8.590 3.007 771 HZ2 TRP 95 HZ2 TRP 95 -2.151 9.680 7.683 772 HZ3 TRP 95 HZ3 TRP 95 -2.924 10.915 3.649 773 HH2 TRP 95 HH2 TRP 95 -2.404 11.479 5.998 774 H ASP 96 H ASP 96 -5.753 6.705 5.398 775 HA ASP 96 HA ASP 96 -7.535 6.116 7.433 776 1HB ASP 96 1HB ASP 96 -5.892 4.406 8.252 777 2HB ASP 96 2HB ASP 96 -4.611 5.616 8.215 778 H ARG 97 H ARG 97 -7.018 7.830 9.300 779 HA ARG 97 HA ARG 97 -4.881 9.662 8.723 780 1HB ARG 97 1HB ARG 97 -6.294 11.677 9.119 781 2HB ARG 97 2HB ARG 97 -6.413 10.962 7.512 782 1HG ARG 97 1HG ARG 97 -8.486 10.216 9.590 783 2HG ARG 97 2HG ARG 97 -8.538 11.809 8.832 784 1HD ARG 97 1HD ARG 97 -8.658 10.791 6.585 785 2HD ARG 97 2HD ARG 97 -8.533 9.182 7.283 786 HE ARG 97 HE ARG 97 -10.697 9.196 7.938 787 1HH1 ARG 97 1HH2 ARG 97 -9.836 12.511 6.985 788 2HH1 ARG 97 2HH2 ARG 97 -11.487 13.072 7.000 789 1HH2 ARG 97 1HH1 ARG 97 -12.846 9.953 7.963 790 2HH2 ARG 97 2HH1 ARG 97 -13.204 11.613 7.563 791 H ASP 98 H ASP 98 -4.109 8.476 10.477 792 HA ASP 98 HA ASP 98 -5.050 8.087 13.013 793 1HB ASP 98 1HB ASP 98 -2.846 7.388 12.182 794 2HB ASP 98 2HB ASP 98 -2.294 9.068 12.153 795 H MET 99 H MET 99 -3.661 11.109 11.705 796 HA MET 99 HA MET 99 -5.602 12.667 13.089 797 1HB MET 99 1HB MET 99 -3.837 14.283 14.050 798 2HB MET 99 2HB MET 99 -4.208 12.814 14.942 799 1HG MET 99 1HG MET 99 -1.829 13.244 14.956 800 2HG MET 99 2HG MET 99 -2.208 11.716 14.182 801 1HE MET 99 1HE MET 99 -2.192 15.464 12.648 802 2HE MET 99 2HE MET 99 -0.880 15.310 13.843 803 3HE MET 99 3HE MET 99 -0.497 15.471 12.117 Start of MODEL 2 1 1H MET 0 1H MET 0 -8.004 -24.362 -5.061 2 2H MET 0 2H MET 0 -6.448 -24.736 -4.656 3 3H MET 0 3H MET 0 -7.658 -24.981 -3.568 4 HA MET 0 HA MET 0 -6.712 -22.428 -4.591 5 1HB MET 0 1HB MET 0 -8.286 -21.355 -3.043 6 2HB MET 0 2HB MET 0 -9.081 -22.301 -4.305 7 1HG MET 0 1HG MET 0 -9.432 -24.159 -2.635 8 2HG MET 0 2HG MET 0 -8.728 -23.117 -1.395 9 1HE MET 0 1HE MET 0 -11.775 -24.019 -3.533 10 2HE MET 0 2HE MET 0 -12.906 -22.678 -3.255 11 3HE MET 0 3HE MET 0 -11.486 -22.433 -4.293 12 H ILE 1 H ILE 1 -4.923 -21.714 -3.578 13 HA ILE 1 HA ILE 1 -4.433 -22.323 -0.757 14 HB ILE 1 HB ILE 1 -2.061 -23.082 -1.292 15 1HG1 ILE 1 1HG1 ILE 1 -1.590 -24.165 -3.386 16 2HG1 ILE 1 2HG1 ILE 1 -3.189 -23.792 -4.037 17 1HG2 ILE 1 1HG2 ILE 1 -4.192 -25.045 -2.176 18 2HG2 ILE 1 2HG2 ILE 1 -2.597 -25.388 -1.496 19 3HG2 ILE 1 3HG2 ILE 1 -3.830 -24.623 -0.484 20 1HD1 ILE 1 1HD1 ILE 1 -2.653 -21.428 -4.153 21 2HD1 ILE 1 2HD1 ILE 1 -1.134 -21.684 -3.255 22 3HD1 ILE 1 3HD1 ILE 1 -1.330 -22.337 -4.892 23 H GLN 2 H GLN 2 -4.865 -19.993 -2.724 24 HA GLN 2 HA GLN 2 -2.408 -18.467 -2.532 25 1HB GLN 2 1HB GLN 2 -5.245 -17.677 -3.340 26 2HB GLN 2 2HB GLN 2 -3.829 -16.628 -3.382 27 1HG GLN 2 1HG GLN 2 -4.034 -17.380 -5.584 28 2HG GLN 2 2HG GLN 2 -2.691 -18.301 -4.900 29 1HE2 GLN 2 2HE2 GLN 2 -3.249 -19.569 -6.942 30 2HE2 GLN 2 1HE2 GLN 2 -4.433 -20.848 -6.788 31 H ARG 3 H ARG 3 -1.794 -17.094 -0.947 32 HA ARG 3 HA ARG 3 -3.578 -16.682 1.360 33 1HB ARG 3 1HB ARG 3 -0.673 -16.151 0.830 34 2HB ARG 3 2HB ARG 3 -1.491 -15.525 2.270 35 1HG ARG 3 1HG ARG 3 -1.458 -18.493 1.575 36 2HG ARG 3 2HG ARG 3 -0.186 -17.683 2.498 37 1HD ARG 3 1HD ARG 3 -1.578 -18.584 4.142 38 2HD ARG 3 2HD ARG 3 -1.955 -16.856 4.107 39 HE ARG 3 HE ARG 3 -3.690 -18.426 2.386 40 1HH1 ARG 3 1HH2 ARG 3 -3.150 -17.632 5.798 41 2HH1 ARG 3 2HH2 ARG 3 -4.838 -17.754 6.228 42 1HH2 ARG 3 1HH1 ARG 3 -5.907 -18.534 2.942 43 2HH2 ARG 3 2HH1 ARG 3 -6.414 -18.282 4.593 44 H THR 4 H THR 4 -4.201 -14.764 2.152 45 HA THR 4 HA THR 4 -4.998 -12.869 0.117 46 HB THR 4 HB THR 4 -5.635 -13.131 3.088 47 HG1 THR 4 HG1 THR 4 -6.211 -14.936 1.780 48 1HG2 THR 4 1HG2 THR 4 -7.208 -11.668 0.928 49 2HG2 THR 4 2HG2 THR 4 -7.672 -11.877 2.623 50 3HG2 THR 4 3HG2 THR 4 -6.266 -10.879 2.223 51 HA PRO 5 HA PRO 5 -1.906 -9.799 1.396 52 1HB PRO 5 1HB PRO 5 -3.065 -7.487 0.464 53 2HB PRO 5 2HB PRO 5 -2.281 -8.706 -0.583 54 1HG PRO 5 1HG PRO 5 -5.225 -8.414 0.051 55 2HG PRO 5 2HG PRO 5 -4.462 -8.595 -1.555 56 1HD PRO 5 1HD PRO 5 -5.526 -10.712 -0.264 57 2HD PRO 5 2HD PRO 5 -3.986 -10.902 -1.146 58 H LYS 6 H LYS 6 -1.810 -9.739 3.574 59 HA LYS 6 HA LYS 6 -3.853 -8.426 5.220 60 1HB LYS 6 1HB LYS 6 -2.454 -10.360 6.008 61 2HB LYS 6 2HB LYS 6 -1.033 -9.300 5.940 62 1HG LYS 6 1HG LYS 6 -2.433 -7.666 7.394 63 2HG LYS 6 2HG LYS 6 -3.521 -9.021 7.666 64 1HD LYS 6 1HD LYS 6 -0.541 -8.857 8.336 65 2HD LYS 6 2HD LYS 6 -1.873 -8.779 9.492 66 1HE LYS 6 1HE LYS 6 -1.081 -11.203 7.805 67 2HE LYS 6 2HE LYS 6 -0.824 -10.984 9.541 68 1HZ LYS 6 1HZ LYS 6 -3.212 -10.877 9.806 69 2HZ LYS 6 2HZ LYS 6 -3.424 -11.180 8.199 70 3HZ LYS 6 3HZ LYS 6 -2.724 -12.315 9.166 71 H ILE 7 H ILE 7 -4.030 -6.297 4.737 72 HA ILE 7 HA ILE 7 -1.739 -4.653 3.974 73 HB ILE 7 HB ILE 7 -3.361 -2.921 3.617 74 1HG1 ILE 7 1HG1 ILE 7 -5.907 -3.892 3.868 75 2HG1 ILE 7 2HG1 ILE 7 -5.184 -4.608 5.303 76 1HG2 ILE 7 1HG2 ILE 7 -4.395 -5.574 2.558 77 2HG2 ILE 7 2HG2 ILE 7 -4.697 -3.967 1.894 78 3HG2 ILE 7 3HG2 ILE 7 -3.051 -4.621 1.884 79 1HD1 ILE 7 1HD1 ILE 7 -4.406 -2.263 5.954 80 2HD1 ILE 7 2HD1 ILE 7 -5.258 -1.657 4.521 81 3HD1 ILE 7 3HD1 ILE 7 -6.165 -2.435 5.828 82 H GLN 8 H GLN 8 -0.593 -3.215 5.367 83 HA GLN 8 HA GLN 8 -1.984 -2.291 7.783 84 1HB GLN 8 1HB GLN 8 0.415 -2.281 8.709 85 2HB GLN 8 2HB GLN 8 -0.575 -3.732 8.884 86 1HG GLN 8 1HG GLN 8 1.452 -3.388 6.653 87 2HG GLN 8 2HG GLN 8 1.889 -3.992 8.258 88 1HE2 GLN 8 2HE2 GLN 8 2.393 -5.493 5.984 89 2HE2 GLN 8 1HE2 GLN 8 1.407 -6.938 6.066 90 H VAL 9 H VAL 9 -2.576 -0.585 6.456 91 HA VAL 9 HA VAL 9 -0.528 0.993 5.069 92 HB VAL 9 HB VAL 9 -3.521 1.436 5.370 93 1HG1 VAL 9 1HG1 VAL 9 -1.403 2.716 3.586 94 2HG1 VAL 9 2HG1 VAL 9 -3.162 2.954 3.437 95 3HG1 VAL 9 3HG1 VAL 9 -2.308 3.513 4.880 96 1HG2 VAL 9 1HG2 VAL 9 -3.054 -0.650 4.139 97 2HG2 VAL 9 2HG2 VAL 9 -3.650 0.599 3.044 98 3HG2 VAL 9 3HG2 VAL 9 -1.920 0.203 3.081 99 H TYR 10 H TYR 10 0.767 1.944 6.605 100 HA TYR 10 HA TYR 10 -0.581 3.486 8.799 101 1HB TYR 10 1HB TYR 10 1.377 3.180 10.114 102 2HB TYR 10 2HB TYR 10 0.624 1.662 9.653 103 HD1 TYR 10 HD1 TYR 10 3.573 3.866 9.125 104 HD2 TYR 10 HD2 TYR 10 1.820 -0.002 8.438 105 HE1 TYR 10 HE1 TYR 10 5.750 3.022 8.284 106 HE2 TYR 10 HE2 TYR 10 3.978 -0.829 7.542 107 HH TYR 10 HH TYR 10 6.153 -0.305 7.034 108 H SER 11 H SER 11 0.174 5.475 9.396 109 HA SER 11 HA SER 11 1.582 7.144 7.449 110 1HB SER 11 1HB SER 11 1.260 8.846 9.327 111 2HB SER 11 2HB SER 11 -0.187 8.218 8.528 112 HG SER 11 HG SER 11 -0.374 8.231 10.813 113 H ARG 12 H ARG 12 3.857 6.971 7.454 114 HA ARG 12 HA ARG 12 5.250 5.753 9.688 115 1HB ARG 12 1HB ARG 12 5.804 5.663 7.193 116 2HB ARG 12 2HB ARG 12 6.585 7.224 7.407 117 1HG ARG 12 1HG ARG 12 7.272 4.753 9.078 118 2HG ARG 12 2HG ARG 12 7.981 5.080 7.500 119 1HD ARG 12 1HD ARG 12 9.550 5.780 9.124 120 2HD ARG 12 2HD ARG 12 8.904 7.222 8.321 121 HE ARG 12 HE ARG 12 7.381 6.674 10.668 122 1HH1 ARG 12 1HH2 ARG 12 10.695 7.697 9.916 123 2HH1 ARG 12 2HH2 ARG 12 10.775 8.808 11.261 124 1HH2 ARG 12 1HH1 ARG 12 7.442 8.206 12.297 125 2HH2 ARG 12 2HH1 ARG 12 8.917 9.073 12.662 126 H HIS 13 H HIS 13 5.582 9.005 8.151 127 HA HIS 13 HA HIS 13 6.544 10.232 10.634 128 1HB HIS 13 1HB HIS 13 5.800 11.279 7.891 129 2HB HIS 13 2HB HIS 13 6.304 12.323 9.227 130 HD2 HIS 13 HD2 HIS 13 8.477 13.132 7.706 131 HE1 HIS 13 HE1 HIS 13 10.496 9.420 7.918 132 HE2 HIS 13 HE2 HIS 13 10.740 11.883 7.283 133 HA PRO 14 HA PRO 14 2.411 11.413 11.931 134 1HB PRO 14 1HB PRO 14 2.830 13.595 13.488 135 2HB PRO 14 2HB PRO 14 3.459 11.978 13.916 136 1HG PRO 14 1HG PRO 14 4.967 14.243 12.598 137 2HG PRO 14 2HG PRO 14 5.481 13.232 13.976 138 1HD PRO 14 1HD PRO 14 6.239 12.757 11.378 139 2HD PRO 14 2HD PRO 14 6.041 11.438 12.557 140 H ALA 15 H ALA 15 0.860 12.261 10.576 141 HA ALA 15 HA ALA 15 1.524 13.915 8.416 142 1HB ALA 15 1HB ALA 15 -0.381 12.380 8.370 143 2HB ALA 15 2HB ALA 15 -1.248 13.416 9.537 144 3HB ALA 15 3HB ALA 15 -0.855 14.024 7.925 145 H GLU 16 H GLU 16 1.291 15.966 7.885 146 HA GLU 16 HA GLU 16 0.160 17.995 9.712 147 1HB GLU 16 1HB GLU 16 3.046 17.879 8.748 148 2HB GLU 16 2HB GLU 16 2.252 19.387 9.249 149 1HG GLU 16 1HG GLU 16 1.826 18.388 11.492 150 2HG GLU 16 2HG GLU 16 2.697 16.927 10.990 151 H ASN 17 H ASN 17 -1.031 19.360 8.493 152 HA ASN 17 HA ASN 17 -1.615 18.899 5.852 153 1HB ASN 17 1HB ASN 17 -2.864 20.973 5.944 154 2HB ASN 17 2HB ASN 17 -3.046 20.091 7.458 155 1HD2 ASN 17 2HD2 ASN 17 -1.934 23.057 5.989 156 2HD2 ASN 17 1HD2 ASN 17 -1.431 23.839 7.473 157 H GLY 18 H GLY 18 -0.700 19.310 3.933 158 1HA GLY 18 1HA GLY 18 0.456 20.353 2.284 159 2HA GLY 18 2HA GLY 18 0.609 21.776 3.317 160 H LYS 19 H LYS 19 1.932 19.272 5.131 161 HA LYS 19 HA LYS 19 4.689 20.087 4.364 162 1HB LYS 19 1HB LYS 19 3.886 20.655 6.542 163 2HB LYS 19 2HB LYS 19 3.634 18.911 6.836 164 1HG LYS 19 1HG LYS 19 5.991 18.445 6.652 165 2HG LYS 19 2HG LYS 19 6.347 20.113 6.134 166 1HD LYS 19 1HD LYS 19 5.763 21.018 8.243 167 2HD LYS 19 2HD LYS 19 4.870 19.558 8.691 168 1HE LYS 19 1HE LYS 19 7.004 18.278 8.836 169 2HE LYS 19 2HE LYS 19 7.903 19.766 8.474 170 1HZ LYS 19 1HZ LYS 19 6.163 19.258 10.788 171 2HZ LYS 19 2HZ LYS 19 7.804 19.370 10.810 172 3HZ LYS 19 3HZ LYS 19 6.890 20.706 10.480 173 H SER 20 H SER 20 5.658 18.680 3.292 174 HA SER 20 HA SER 20 5.132 16.201 2.469 175 1HB SER 20 1HB SER 20 7.550 15.770 2.069 176 2HB SER 20 2HB SER 20 6.820 17.242 1.427 177 HG SER 20 HG SER 20 8.265 17.080 3.877 178 H ASN 21 H ASN 21 4.859 14.336 3.428 179 HA ASN 21 HA ASN 21 6.112 13.640 6.049 180 1HB ASN 21 1HB ASN 21 3.621 14.420 5.655 181 2HB ASN 21 2HB ASN 21 3.380 12.757 5.173 182 1HD2 ASN 21 2HD2 ASN 21 2.680 11.540 6.928 183 2HD2 ASN 21 1HD2 ASN 21 3.115 11.814 8.593 184 H PHE 22 H PHE 22 4.824 10.911 5.973 185 HA PHE 22 HA PHE 22 5.834 9.656 3.533 186 1HB PHE 22 1HB PHE 22 7.267 9.394 6.140 187 2HB PHE 22 2HB PHE 22 6.988 7.916 5.235 188 HD1 PHE 22 HD1 PHE 22 7.926 7.469 3.051 189 HD2 PHE 22 HD2 PHE 22 8.832 11.112 5.169 190 HE1 PHE 22 HE1 PHE 22 9.920 7.807 1.619 191 HE2 PHE 22 HE2 PHE 22 10.822 11.451 3.728 192 HZ PHE 22 HZ PHE 22 11.379 9.790 1.962 193 H LEU 23 H LEU 23 4.427 8.263 2.882 194 HA LEU 23 HA LEU 23 2.547 6.937 4.779 195 1HB LEU 23 1HB LEU 23 1.445 8.465 3.275 196 2HB LEU 23 2HB LEU 23 2.302 7.798 1.883 197 HG LEU 23 HG LEU 23 0.994 5.656 2.275 198 1HD1 LEU 23 1HD1 LEU 23 -0.317 7.438 4.385 199 2HD1 LEU 23 2HD1 LEU 23 -0.978 5.889 3.807 200 3HD1 LEU 23 3HD1 LEU 23 0.551 5.923 4.691 201 1HD2 LEU 23 1HD2 LEU 23 0.260 7.422 0.677 202 2HD2 LEU 23 2HD2 LEU 23 -1.129 6.626 1.442 203 3HD2 LEU 23 3HD2 LEU 23 -0.611 8.238 1.987 204 H ASN 24 H ASN 24 2.537 4.742 4.827 205 HA ASN 24 HA ASN 24 4.229 3.222 2.869 206 1HB ASN 24 1HB ASN 24 3.965 3.044 5.870 207 2HB ASN 24 2HB ASN 24 4.734 1.806 4.866 208 1HD2 ASN 24 2HD2 ASN 24 6.723 2.107 6.080 209 2HD2 ASN 24 1HD2 ASN 24 7.749 3.490 5.752 210 H CYS 25 H CYS 25 2.633 2.241 1.629 211 HA CYS 25 HA CYS 25 0.293 0.994 2.935 212 1HB CYS 25 1HB CYS 25 1.187 0.825 0.035 213 2HB CYS 25 2HB CYS 25 -0.346 0.286 0.699 214 H TYR 26 H TYR 26 1.936 -0.336 4.321 215 HA TYR 26 HA TYR 26 3.582 -2.233 2.874 216 1HB TYR 26 1HB TYR 26 4.281 -1.358 5.033 217 2HB TYR 26 2HB TYR 26 2.836 -1.946 5.798 218 HD1 TYR 26 HD1 TYR 26 4.960 -3.901 3.370 219 HD2 TYR 26 HD2 TYR 26 3.970 -3.241 7.502 220 HE1 TYR 26 HE1 TYR 26 6.019 -6.039 3.950 221 HE2 TYR 26 HE2 TYR 26 4.982 -5.423 8.086 222 HH TYR 26 HH TYR 26 6.454 -7.571 5.623 223 H VAL 27 H VAL 27 3.083 -4.396 2.368 224 HA VAL 27 HA VAL 27 0.520 -5.499 3.386 225 HB VAL 27 HB VAL 27 1.427 -5.898 0.504 226 1HG1 VAL 27 1HG1 VAL 27 -1.280 -6.263 1.865 227 2HG1 VAL 27 2HG1 VAL 27 -0.830 -6.716 0.206 228 3HG1 VAL 27 3HG1 VAL 27 -0.133 -7.571 1.585 229 1HG2 VAL 27 1HG2 VAL 27 -0.586 -3.899 1.548 230 2HG2 VAL 27 2HG2 VAL 27 0.925 -3.531 0.684 231 3HG2 VAL 27 3HG2 VAL 27 -0.374 -4.383 -0.163 232 H SER 28 H SER 28 0.680 -7.670 3.922 233 HA SER 28 HA SER 28 2.804 -9.235 2.793 234 1HB SER 28 1HB SER 28 3.897 -9.825 4.965 235 2HB SER 28 2HB SER 28 3.998 -8.091 4.726 236 HG SER 28 HG SER 28 3.264 -8.657 6.820 237 H GLY 29 H GLY 29 2.831 -11.465 4.357 238 1HA GLY 29 1HA GLY 29 1.563 -13.216 5.172 239 2HA GLY 29 2HA GLY 29 0.076 -12.298 4.926 240 H PHE 30 H PHE 30 0.528 -11.594 2.167 241 HA PHE 30 HA PHE 30 -0.825 -13.752 1.030 242 1HB PHE 30 1HB PHE 30 -0.906 -12.444 -0.977 243 2HB PHE 30 2HB PHE 30 -1.201 -11.481 0.430 244 HD1 PHE 30 HD1 PHE 30 1.155 -12.218 -2.283 245 HD2 PHE 30 HD2 PHE 30 0.370 -9.626 1.071 246 HE1 PHE 30 HE1 PHE 30 2.949 -10.704 -3.039 247 HE2 PHE 30 HE2 PHE 30 2.159 -8.113 0.300 248 HZ PHE 30 HZ PHE 30 3.450 -8.672 -1.746 249 H HIS 31 H HIS 31 -0.289 -14.619 -1.156 250 HA HIS 31 HA HIS 31 2.251 -14.812 -2.318 251 1HB HIS 31 1HB HIS 31 3.110 -16.842 -1.844 252 2HB HIS 31 2HB HIS 31 2.596 -16.358 -0.243 253 HD2 HIS 31 HD2 HIS 31 1.347 -18.661 -3.170 254 HE1 HIS 31 HE1 HIS 31 0.162 -20.338 0.534 255 HE2 HIS 31 HE2 HIS 31 0.213 -20.728 -1.985 256 HA PRO 32 HA PRO 32 2.919 -16.211 -4.184 257 1HB PRO 32 1HB PRO 32 2.841 -16.434 -6.875 258 2HB PRO 32 2HB PRO 32 2.188 -17.708 -5.834 259 1HG PRO 32 1HG PRO 32 0.611 -15.428 -7.063 260 2HG PRO 32 2HG PRO 32 0.328 -17.182 -7.297 261 1HD PRO 32 1HD PRO 32 -0.984 -15.790 -5.358 262 2HD PRO 32 2HD PRO 32 -0.408 -17.452 -5.061 263 H SER 33 H SER 33 3.587 -14.738 -6.728 264 HA SER 33 HA SER 33 4.298 -12.433 -5.194 265 1HB SER 33 1HB SER 33 5.938 -12.119 -6.989 266 2HB SER 33 2HB SER 33 5.884 -13.831 -6.517 267 HG SER 33 HG SER 33 4.529 -14.199 -8.326 268 H ASP 34 H ASP 34 2.053 -12.847 -7.867 269 HA ASP 34 HA ASP 34 2.516 -10.233 -8.971 270 1HB ASP 34 1HB ASP 34 1.888 -12.058 -10.392 271 2HB ASP 34 2HB ASP 34 0.430 -12.383 -9.451 272 H ILE 35 H ILE 35 2.223 -8.828 -7.172 273 HA ILE 35 HA ILE 35 -0.628 -8.068 -6.840 274 HB ILE 35 HB ILE 35 0.287 -9.002 -4.834 275 1HG1 ILE 35 1HG1 ILE 35 -0.065 -6.010 -4.422 276 2HG1 ILE 35 2HG1 ILE 35 -1.397 -7.111 -4.722 277 1HG2 ILE 35 1HG2 ILE 35 2.641 -8.401 -5.139 278 2HG2 ILE 35 2HG2 ILE 35 2.223 -6.691 -4.818 279 3HG2 ILE 35 3HG2 ILE 35 2.013 -7.927 -3.559 280 1HD1 ILE 35 1HD1 ILE 35 -0.576 -8.467 -2.706 281 2HD1 ILE 35 2HD1 ILE 35 0.451 -7.085 -2.318 282 3HD1 ILE 35 3HD1 ILE 35 -1.299 -6.872 -2.379 283 H GLU 36 H GLU 36 -1.150 -5.938 -6.808 284 HA GLU 36 HA GLU 36 0.782 -3.997 -7.979 285 1HB GLU 36 1HB GLU 36 -2.193 -3.959 -8.474 286 2HB GLU 36 2HB GLU 36 -0.881 -3.207 -9.377 287 1HG GLU 36 1HG GLU 36 -0.085 -5.546 -9.956 288 2HG GLU 36 2HG GLU 36 -1.552 -6.170 -9.217 289 H VAL 37 H VAL 37 1.103 -2.225 -6.678 290 HA VAL 37 HA VAL 37 -1.100 -1.165 -5.018 291 HB VAL 37 HB VAL 37 1.649 -1.853 -3.946 292 1HG1 VAL 37 1HG1 VAL 37 -0.743 -0.920 -2.317 293 2HG1 VAL 37 2HG1 VAL 37 0.896 -1.246 -1.757 294 3HG1 VAL 37 3HG1 VAL 37 0.587 0.149 -2.796 295 1HG2 VAL 37 1HG2 VAL 37 -1.061 -3.179 -3.552 296 2HG2 VAL 37 2HG2 VAL 37 0.451 -3.905 -4.152 297 3HG2 VAL 37 3HG2 VAL 37 0.294 -3.439 -2.452 298 H ASP 38 H ASP 38 -1.080 0.374 -6.783 299 HA ASP 38 HA ASP 38 1.014 2.437 -6.726 300 1HB ASP 38 1HB ASP 38 -1.865 2.597 -7.754 301 2HB ASP 38 2HB ASP 38 -0.583 3.779 -7.991 302 H LEU 39 H LEU 39 0.670 4.503 -5.764 303 HA LEU 39 HA LEU 39 -1.341 4.615 -3.566 304 1HB LEU 39 1HB LEU 39 1.307 6.099 -3.831 305 2HB LEU 39 2HB LEU 39 0.080 6.298 -2.567 306 HG LEU 39 HG LEU 39 0.346 3.639 -2.353 307 1HD1 LEU 39 1HD1 LEU 39 3.134 4.513 -3.180 308 2HD1 LEU 39 2HD1 LEU 39 2.668 2.922 -2.555 309 3HD1 LEU 39 3HD1 LEU 39 2.111 3.432 -4.150 310 1HD2 LEU 39 1HD2 LEU 39 0.686 5.281 -0.541 311 2HD2 LEU 39 2HD2 LEU 39 1.999 4.080 -0.527 312 3HD2 LEU 39 3HD2 LEU 39 2.278 5.681 -1.219 313 H LEU 40 H LEU 40 -2.645 6.396 -3.420 314 HA LEU 40 HA LEU 40 -3.146 7.806 -6.000 315 1HB LEU 40 1HB LEU 40 -3.934 5.297 -5.610 316 2HB LEU 40 2HB LEU 40 -5.145 6.036 -4.588 317 HG LEU 40 HG LEU 40 -6.014 5.514 -6.752 318 1HD1 LEU 40 1HD1 LEU 40 -6.898 7.570 -5.719 319 2HD1 LEU 40 2HD1 LEU 40 -5.695 8.542 -6.603 320 3HD1 LEU 40 3HD1 LEU 40 -6.938 7.645 -7.491 321 1HD2 LEU 40 1HD2 LEU 40 -3.718 5.710 -7.915 322 2HD2 LEU 40 2HD2 LEU 40 -5.157 6.205 -8.829 323 3HD2 LEU 40 3HD2 LEU 40 -4.123 7.433 -8.094 324 H LYS 41 H LYS 41 -3.786 9.951 -5.462 325 HA LYS 41 HA LYS 41 -4.696 10.515 -2.731 326 1HB LYS 41 1HB LYS 41 -4.421 12.389 -5.098 327 2HB LYS 41 2HB LYS 41 -4.744 12.822 -3.407 328 1HG LYS 41 1HG LYS 41 -2.646 13.001 -3.019 329 2HG LYS 41 2HG LYS 41 -2.526 11.250 -3.149 330 1HD LYS 41 1HD LYS 41 -0.862 12.072 -4.595 331 2HD LYS 41 2HD LYS 41 -2.165 11.588 -5.666 332 1HE LYS 41 1HE LYS 41 -1.233 13.708 -6.378 333 2HE LYS 41 2HE LYS 41 -2.886 14.013 -5.801 334 1HZ LYS 41 1HZ LYS 41 -2.080 14.927 -3.864 335 2HZ LYS 41 2HZ LYS 41 -0.524 14.419 -4.126 336 3HZ LYS 41 3HZ LYS 41 -1.193 15.595 -5.077 337 H ASN 42 H ASN 42 -6.506 12.663 -4.024 338 HA ASN 42 HA ASN 42 -9.031 11.366 -3.653 339 1HB ASN 42 1HB ASN 42 -9.978 13.473 -4.271 340 2HB ASN 42 2HB ASN 42 -8.524 13.865 -3.350 341 1HD2 ASN 42 2HD2 ASN 42 -6.442 14.195 -4.856 342 2HD2 ASN 42 1HD2 ASN 42 -6.736 15.026 -6.361 343 H GLY 43 H GLY 43 -7.090 12.180 -6.548 344 1HA GLY 43 1HA GLY 43 -8.130 9.921 -7.978 345 2HA GLY 43 2HA GLY 43 -8.877 11.423 -8.554 346 H GLU 44 H GLU 44 -5.535 11.113 -7.315 347 HA GLU 44 HA GLU 44 -4.432 11.410 -10.079 348 1HB GLU 44 1HB GLU 44 -4.446 13.578 -8.860 349 2HB GLU 44 2HB GLU 44 -3.510 12.823 -7.562 350 1HG GLU 44 1HG GLU 44 -1.676 12.345 -9.223 351 2HG GLU 44 2HG GLU 44 -2.625 13.188 -10.460 352 H ARG 45 H ARG 45 -2.833 9.974 -10.519 353 HA ARG 45 HA ARG 45 -2.090 7.976 -8.487 354 1HB ARG 45 1HB ARG 45 -2.721 7.257 -10.755 355 2HB ARG 45 2HB ARG 45 -1.384 8.205 -11.438 356 1HG ARG 45 1HG ARG 45 0.256 6.811 -10.228 357 2HG ARG 45 2HG ARG 45 -1.057 5.919 -9.432 358 1HD ARG 45 1HD ARG 45 -1.810 5.052 -11.594 359 2HD ARG 45 2HD ARG 45 -0.612 6.060 -12.431 360 HE ARG 45 HE ARG 45 0.265 4.025 -10.423 361 1HH1 ARG 45 1HH2 ARG 45 0.265 5.001 -13.863 362 2HH1 ARG 45 2HH2 ARG 45 1.428 3.780 -14.298 363 1HH2 ARG 45 1HH1 ARG 45 1.716 2.459 -11.038 364 2HH2 ARG 45 2HH1 ARG 45 2.293 2.348 -12.688 365 H ILE 46 H ILE 46 -0.185 7.853 -7.425 366 HA ILE 46 HA ILE 46 1.713 10.026 -7.670 367 HB ILE 46 HB ILE 46 1.283 7.679 -5.774 368 1HG1 ILE 46 1HG1 ILE 46 0.749 10.674 -5.487 369 2HG1 ILE 46 2HG1 ILE 46 -0.515 9.485 -5.819 370 1HG2 ILE 46 1HG2 ILE 46 3.156 10.046 -5.614 371 2HG2 ILE 46 2HG2 ILE 46 2.888 8.810 -4.346 372 3HG2 ILE 46 3HG2 ILE 46 3.627 8.347 -5.884 373 1HD1 ILE 46 1HD1 ILE 46 1.096 9.665 -3.269 374 2HD1 ILE 46 2HD1 ILE 46 -0.632 9.985 -3.555 375 3HD1 ILE 46 3HD1 ILE 46 -0.024 8.346 -3.663 376 H GLU 47 H GLU 47 3.415 9.798 -8.958 377 HA GLU 47 HA GLU 47 4.251 7.179 -10.018 378 1HB GLU 47 1HB GLU 47 5.197 10.008 -10.609 379 2HB GLU 47 2HB GLU 47 5.752 8.532 -11.421 380 1HG GLU 47 1HG GLU 47 3.379 8.051 -12.093 381 2HG GLU 47 2HG GLU 47 2.900 9.625 -11.435 382 H LYS 48 H LYS 48 5.417 9.665 -7.727 383 HA LYS 48 HA LYS 48 8.018 8.424 -7.419 384 1HB LYS 48 1HB LYS 48 7.737 10.821 -7.184 385 2HB LYS 48 2HB LYS 48 6.595 10.606 -5.853 386 1HG LYS 48 1HG LYS 48 8.869 11.295 -5.142 387 2HG LYS 48 2HG LYS 48 8.346 9.800 -4.381 388 1HD LYS 48 1HD LYS 48 9.726 8.477 -5.949 389 2HD LYS 48 2HD LYS 48 10.224 9.972 -6.777 390 1HE LYS 48 1HE LYS 48 11.297 10.765 -4.697 391 2HE LYS 48 2HE LYS 48 10.708 9.336 -3.825 392 1HZ LYS 48 1HZ LYS 48 12.036 7.972 -5.247 393 2HZ LYS 48 2HZ LYS 48 12.582 9.285 -6.082 394 3HZ LYS 48 3HZ LYS 48 12.974 9.091 -4.493 395 H VAL 49 H VAL 49 6.878 6.288 -7.143 396 HA VAL 49 HA VAL 49 6.327 5.686 -4.265 397 HB VAL 49 HB VAL 49 5.712 4.097 -6.782 398 1HG1 VAL 49 1HG1 VAL 49 5.148 3.582 -3.828 399 2HG1 VAL 49 2HG1 VAL 49 4.409 2.680 -5.170 400 3HG1 VAL 49 3HG1 VAL 49 6.154 2.597 -4.903 401 1HG2 VAL 49 1HG2 VAL 49 3.959 5.749 -4.915 402 2HG2 VAL 49 2HG2 VAL 49 4.279 6.037 -6.631 403 3HG2 VAL 49 3HG2 VAL 49 3.343 4.618 -6.144 404 H GLU 50 H GLU 50 8.200 5.013 -3.267 405 HA GLU 50 HA GLU 50 10.245 3.489 -4.813 406 1HB GLU 50 1HB GLU 50 10.833 5.579 -3.392 407 2HB GLU 50 2HB GLU 50 10.562 4.528 -1.994 408 1HG GLU 50 1HG GLU 50 12.278 2.965 -2.842 409 2HG GLU 50 2HG GLU 50 12.520 4.015 -4.251 410 H HIS 51 H HIS 51 11.017 1.495 -3.496 411 HA HIS 51 HA HIS 51 9.058 0.491 -1.581 412 1HB HIS 51 1HB HIS 51 8.544 -1.549 -2.836 413 2HB HIS 51 2HB HIS 51 8.031 -0.134 -3.752 414 HD2 HIS 51 HD2 HIS 51 9.601 0.428 -6.063 415 HE1 HIS 51 HE1 HIS 51 11.593 -3.309 -6.013 416 HE2 HIS 51 HE2 HIS 51 11.136 -1.217 -7.410 417 H SER 52 H SER 52 9.787 -1.190 -0.355 418 HA SER 52 HA SER 52 12.651 -1.851 -0.378 419 1HB SER 52 1HB SER 52 11.345 -1.668 1.759 420 2HB SER 52 2HB SER 52 10.366 -3.059 1.234 421 HG SER 52 HG SER 52 12.128 -3.653 2.577 422 H ASP 53 H ASP 53 13.389 -3.970 -0.990 423 HA ASP 53 HA ASP 53 12.224 -5.005 -3.346 424 1HB ASP 53 1HB ASP 53 13.951 -6.740 -3.163 425 2HB ASP 53 2HB ASP 53 14.621 -5.151 -2.785 426 H LEU 54 H LEU 54 11.723 -7.393 -3.662 427 HA LEU 54 HA LEU 54 9.504 -8.137 -2.019 428 1HB LEU 54 1HB LEU 54 9.862 -8.711 -4.477 429 2HB LEU 54 2HB LEU 54 10.973 -9.965 -3.931 430 HG LEU 54 HG LEU 54 8.891 -11.008 -4.287 431 1HD1 LEU 54 1HD1 LEU 54 9.965 -11.668 -2.150 432 2HD1 LEU 54 2HD1 LEU 54 8.792 -10.619 -1.302 433 3HD1 LEU 54 3HD1 LEU 54 8.229 -11.971 -2.246 434 1HD2 LEU 54 1HD2 LEU 54 7.485 -8.895 -2.618 435 2HD2 LEU 54 2HD2 LEU 54 7.428 -9.051 -4.392 436 3HD2 LEU 54 3HD2 LEU 54 6.737 -10.297 -3.350 437 H SER 55 H SER 55 9.711 -8.814 -0.047 438 HA SER 55 HA SER 55 12.140 -10.285 0.896 439 1HB SER 55 1HB SER 55 11.927 -7.941 1.711 440 2HB SER 55 2HB SER 55 10.353 -8.343 2.418 441 HG SER 55 HG SER 55 12.145 -8.500 3.884 442 H PHE 56 H PHE 56 10.595 -12.045 -0.120 443 HA PHE 56 HA PHE 56 8.305 -12.885 1.411 444 1HB PHE 56 1HB PHE 56 8.409 -14.886 0.145 445 2HB PHE 56 2HB PHE 56 8.884 -13.611 -0.934 446 HD1 PHE 56 HD1 PHE 56 11.309 -13.415 -1.615 447 HD2 PHE 56 HD2 PHE 56 9.793 -16.695 0.720 448 HE1 PHE 56 HE1 PHE 56 13.359 -14.722 -2.132 449 HE2 PHE 56 HE2 PHE 56 11.839 -18.016 0.196 450 HZ PHE 56 HZ PHE 56 13.620 -17.029 -1.242 451 H SER 57 H SER 57 8.294 -13.826 3.459 452 HA SER 57 HA SER 57 10.794 -14.206 4.850 453 1HB SER 57 1HB SER 57 8.754 -13.622 6.049 454 2HB SER 57 2HB SER 57 8.042 -15.207 5.675 455 HG SER 57 HG SER 57 9.622 -16.122 6.990 456 H LYS 58 H LYS 58 12.013 -16.075 4.906 457 HA LYS 58 HA LYS 58 11.519 -18.102 2.933 458 1HB LYS 58 1HB LYS 58 13.604 -18.001 5.151 459 2HB LYS 58 2HB LYS 58 13.606 -19.082 3.744 460 1HG LYS 58 1HG LYS 58 13.657 -17.050 2.241 461 2HG LYS 58 2HG LYS 58 13.762 -16.031 3.672 462 1HD LYS 58 1HD LYS 58 15.960 -16.270 2.759 463 2HD LYS 58 2HD LYS 58 15.887 -17.063 4.334 464 1HE LYS 58 1HE LYS 58 17.192 -18.357 2.678 465 2HE LYS 58 2HE LYS 58 15.805 -19.275 3.267 466 1HZ LYS 58 1HZ LYS 58 15.943 -17.810 0.720 467 2HZ LYS 58 2HZ LYS 58 16.053 -19.444 0.907 468 3HZ LYS 58 3HZ LYS 58 14.643 -18.670 1.261 469 H ASP 59 H ASP 59 10.094 -17.812 5.933 470 HA ASP 59 HA ASP 59 9.700 -20.587 6.446 471 1HB ASP 59 1HB ASP 59 7.968 -18.143 7.125 472 2HB ASP 59 2HB ASP 59 7.778 -19.761 7.814 473 H TRP 60 H TRP 60 7.056 -18.393 5.456 474 HA TRP 60 HA TRP 60 6.535 -19.442 2.872 475 1HB TRP 60 1HB TRP 60 4.591 -20.741 3.211 476 2HB TRP 60 2HB TRP 60 5.994 -21.528 3.880 477 HD1 TRP 60 HD1 TRP 60 6.212 -21.340 6.656 478 HE1 TRP 60 HE1 TRP 60 4.315 -21.551 8.427 479 HE3 TRP 60 HE3 TRP 60 2.283 -20.250 3.682 480 HZ2 TRP 60 HZ2 TRP 60 1.446 -21.315 8.479 481 HZ3 TRP 60 HZ3 TRP 60 -0.069 -20.315 4.569 482 HH2 TRP 60 HH2 TRP 60 -0.477 -20.821 6.970 483 H SER 61 H SER 61 6.769 -16.965 3.267 484 HA SER 61 HA SER 61 4.065 -15.928 2.886 485 1HB SER 61 1HB SER 61 4.455 -15.616 5.346 486 2HB SER 61 2HB SER 61 5.897 -14.652 4.969 487 HG SER 61 HG SER 61 4.527 -13.210 3.842 488 H PHE 62 H PHE 62 4.161 -13.773 1.893 489 HA PHE 62 HA PHE 62 6.602 -13.239 0.284 490 1HB PHE 62 1HB PHE 62 4.406 -14.669 -0.602 491 2HB PHE 62 2HB PHE 62 3.970 -13.030 -1.072 492 HD1 PHE 62 HD1 PHE 62 5.197 -11.921 -2.904 493 HD2 PHE 62 HD2 PHE 62 6.497 -15.721 -1.331 494 HE1 PHE 62 HE1 PHE 62 6.763 -12.168 -4.761 495 HE2 PHE 62 HE2 PHE 62 8.024 -16.001 -3.217 496 HZ PHE 62 HZ PHE 62 8.169 -14.224 -4.986 497 H TYR 63 H TYR 63 6.976 -10.931 0.347 498 HA TYR 63 HA TYR 63 4.708 -9.110 0.538 499 1HB TYR 63 1HB TYR 63 5.315 -8.137 2.748 500 2HB TYR 63 2HB TYR 63 4.729 -9.795 2.804 501 HD1 TYR 63 HD1 TYR 63 7.725 -7.732 3.192 502 HD2 TYR 63 HD2 TYR 63 5.841 -11.562 3.755 503 HE1 TYR 63 HE1 TYR 63 9.406 -8.289 4.898 504 HE2 TYR 63 HE2 TYR 63 7.403 -12.077 5.543 505 HH TYR 63 HH TYR 63 10.146 -9.896 6.420 506 H LEU 64 H LEU 64 5.507 -6.855 1.120 507 HA LEU 64 HA LEU 64 8.165 -6.055 0.572 508 1HB LEU 64 1HB LEU 64 7.978 -5.083 -1.624 509 2HB LEU 64 2HB LEU 64 7.718 -6.811 -1.728 510 HG LEU 64 HG LEU 64 5.661 -4.614 -1.965 511 1HD1 LEU 64 1HD1 LEU 64 6.424 -6.815 -3.936 512 2HD1 LEU 64 2HD1 LEU 64 5.290 -5.502 -4.225 513 3HD1 LEU 64 3HD1 LEU 64 7.010 -5.133 -4.027 514 1HD2 LEU 64 1HD2 LEU 64 5.324 -7.619 -1.797 515 2HD2 LEU 64 2HD2 LEU 64 4.401 -6.379 -0.892 516 3HD2 LEU 64 3HD2 LEU 64 4.131 -6.624 -2.624 517 H LEU 65 H LEU 65 8.347 -3.750 0.778 518 HA LEU 65 HA LEU 65 5.971 -2.443 1.995 519 1HB LEU 65 1HB LEU 65 8.377 -2.944 3.078 520 2HB LEU 65 2HB LEU 65 8.805 -1.455 2.231 521 HG LEU 65 HG LEU 65 6.580 -1.833 4.297 522 1HD1 LEU 65 1HD1 LEU 65 8.860 -1.956 5.184 523 2HD1 LEU 65 2HD1 LEU 65 9.263 -0.412 4.402 524 3HD1 LEU 65 3HD1 LEU 65 8.057 -0.465 5.709 525 1HD2 LEU 65 1HD2 LEU 65 7.375 0.512 2.560 526 2HD2 LEU 65 2HD2 LEU 65 5.752 -0.080 2.968 527 3HD2 LEU 65 3HD2 LEU 65 6.706 0.784 4.180 528 H TYR 66 H TYR 66 5.204 -0.536 1.043 529 HA TYR 66 HA TYR 66 6.568 0.400 -1.433 530 1HB TYR 66 1HB TYR 66 3.556 0.122 -1.228 531 2HB TYR 66 2HB TYR 66 4.566 0.231 -2.653 532 HD1 TYR 66 HD1 TYR 66 4.613 -1.795 -3.935 533 HD2 TYR 66 HD2 TYR 66 3.975 -2.084 0.334 534 HE1 TYR 66 HE1 TYR 66 3.430 -3.944 -4.223 535 HE2 TYR 66 HE2 TYR 66 2.935 -4.258 0.024 536 HH TYR 66 HH TYR 66 1.992 -5.456 -3.214 537 H TYR 67 H TYR 67 7.286 2.291 -0.570 538 HA TYR 67 HA TYR 67 5.337 4.015 0.839 539 1HB TYR 67 1HB TYR 67 7.506 5.058 1.731 540 2HB TYR 67 2HB TYR 67 6.743 3.615 2.359 541 HD1 TYR 67 HD1 TYR 67 8.496 2.491 3.391 542 HD2 TYR 67 HD2 TYR 67 8.974 3.870 -0.640 543 HE1 TYR 67 HE1 TYR 67 10.592 1.173 3.191 544 HE2 TYR 67 HE2 TYR 67 11.102 2.601 -0.832 545 HH TYR 67 HH TYR 67 12.540 1.136 0.180 546 H THR 68 H THR 68 5.199 6.100 0.540 547 HA THR 68 HA THR 68 6.730 7.510 -1.629 548 HB THR 68 HB THR 68 4.495 6.891 -2.297 549 HG1 THR 68 HG1 THR 68 5.512 8.731 -3.128 550 1HG2 THR 68 1HG2 THR 68 2.548 8.030 -1.346 551 2HG2 THR 68 2HG2 THR 68 3.383 7.185 -0.020 552 3HG2 THR 68 3HG2 THR 68 3.572 8.934 -0.223 553 H GLU 69 H GLU 69 6.799 9.950 -1.238 554 HA GLU 69 HA GLU 69 6.794 10.673 1.642 555 1HB GLU 69 1HB GLU 69 7.959 12.793 0.635 556 2HB GLU 69 2HB GLU 69 8.830 11.311 0.980 557 1HG GLU 69 1HG GLU 69 9.526 12.293 -1.141 558 2HG GLU 69 2HG GLU 69 8.915 10.652 -1.328 559 H PHE 70 H PHE 70 4.392 10.549 1.555 560 HA PHE 70 HA PHE 70 2.993 12.192 -0.316 561 1HB PHE 70 1HB PHE 70 1.033 11.477 0.587 562 2HB PHE 70 2HB PHE 70 2.064 10.097 0.904 563 HD1 PHE 70 HD1 PHE 70 -0.414 12.297 2.259 564 HD2 PHE 70 HD2 PHE 70 3.219 10.259 3.298 565 HE1 PHE 70 HE1 PHE 70 -0.803 12.736 4.659 566 HE2 PHE 70 HE2 PHE 70 2.435 10.108 5.664 567 HZ PHE 70 HZ PHE 70 0.530 11.543 6.373 568 H THR 71 H THR 71 2.222 14.157 -0.183 569 HA THR 71 HA THR 71 2.594 15.805 2.268 570 HB THR 71 HB THR 71 2.192 16.676 -0.579 571 HG1 THR 71 HG1 THR 71 4.413 17.053 -0.438 572 1HG2 THR 71 1HG2 THR 71 3.088 18.117 1.958 573 2HG2 THR 71 2HG2 THR 71 2.996 18.834 0.338 574 3HG2 THR 71 3HG2 THR 71 1.512 18.340 1.175 575 HA PRO 72 HA PRO 72 -2.025 15.285 2.061 576 1HB PRO 72 1HB PRO 72 -2.655 16.008 4.609 577 2HB PRO 72 2HB PRO 72 -2.020 14.422 4.166 578 1HG PRO 72 1HG PRO 72 -0.563 16.790 5.301 579 2HG PRO 72 2HG PRO 72 -0.371 15.078 5.772 580 1HD PRO 72 1HD PRO 72 1.332 16.425 4.072 581 2HD PRO 72 2HD PRO 72 1.052 14.666 3.952 582 H THR 73 H THR 73 -1.656 17.038 0.515 583 HA THR 73 HA THR 73 -1.933 19.815 1.390 584 HB THR 73 HB THR 73 -0.317 19.130 -0.331 585 HG1 THR 73 HG1 THR 73 -1.033 21.242 -0.249 586 1HG2 THR 73 1HG2 THR 73 -2.768 18.773 -2.104 587 2HG2 THR 73 2HG2 THR 73 -1.061 18.655 -2.583 588 3HG2 THR 73 3HG2 THR 73 -1.762 17.435 -1.497 589 H GLU 74 H GLU 74 -3.524 21.217 0.451 590 HA GLU 74 HA GLU 74 -5.677 21.857 0.483 591 1HB GLU 74 1HB GLU 74 -5.067 21.584 -1.892 592 2HB GLU 74 2HB GLU 74 -5.824 19.993 -1.917 593 1HG GLU 74 1HG GLU 74 -8.001 21.145 -1.176 594 2HG GLU 74 2HG GLU 74 -7.150 22.684 -1.304 595 H LYS 75 H LYS 75 -6.973 18.881 -0.805 596 HA LYS 75 HA LYS 75 -8.086 18.097 1.829 597 1HB LYS 75 1HB LYS 75 -10.320 17.940 0.893 598 2HB LYS 75 2HB LYS 75 -9.697 19.585 0.727 599 1HG LYS 75 1HG LYS 75 -9.057 18.999 -1.683 600 2HG LYS 75 2HG LYS 75 -9.944 17.481 -1.465 601 1HD LYS 75 1HD LYS 75 -11.991 18.805 -0.887 602 2HD LYS 75 2HD LYS 75 -11.066 20.300 -1.154 603 1HE LYS 75 1HE LYS 75 -10.635 19.580 -3.514 604 2HE LYS 75 2HE LYS 75 -11.646 18.148 -3.241 605 1HZ LYS 75 1HZ LYS 75 -13.481 19.609 -2.807 606 2HZ LYS 75 2HZ LYS 75 -12.530 20.940 -3.022 607 3HZ LYS 75 3HZ LYS 75 -12.835 19.933 -4.289 608 H ASP 76 H ASP 76 -5.933 17.135 -0.051 609 HA ASP 76 HA ASP 76 -6.797 14.665 -1.248 610 1HB ASP 76 1HB ASP 76 -4.082 15.747 -0.405 611 2HB ASP 76 2HB ASP 76 -4.315 14.175 -1.175 612 H GLU 77 H GLU 77 -7.553 12.981 -0.096 613 HA GLU 77 HA GLU 77 -6.124 12.147 2.398 614 1HB GLU 77 1HB GLU 77 -8.569 12.464 2.703 615 2HB GLU 77 2HB GLU 77 -8.871 11.266 1.429 616 1HG GLU 77 1HG GLU 77 -7.712 9.535 2.748 617 2HG GLU 77 2HG GLU 77 -7.240 10.733 3.963 618 H TYR 78 H TYR 78 -4.528 10.797 1.820 619 HA TYR 78 HA TYR 78 -4.470 9.647 -0.814 620 1HB TYR 78 1HB TYR 78 -2.568 9.570 1.539 621 2HB TYR 78 2HB TYR 78 -2.313 8.621 0.083 622 HD1 TYR 78 HD1 TYR 78 -3.267 12.229 0.865 623 HD2 TYR 78 HD2 TYR 78 -0.616 9.512 -1.177 624 HE1 TYR 78 HE1 TYR 78 -2.129 14.130 -0.200 625 HE2 TYR 78 HE2 TYR 78 0.576 11.452 -2.175 626 HH TYR 78 HH TYR 78 -0.211 14.815 -1.316 627 H ALA 79 H ALA 79 -4.139 7.451 -1.312 628 HA ALA 79 HA ALA 79 -5.232 5.414 0.513 629 1HB ALA 79 1HB ALA 79 -7.213 6.375 -0.608 630 2HB ALA 79 2HB ALA 79 -6.430 6.205 -2.193 631 3HB ALA 79 3HB ALA 79 -6.903 4.765 -1.282 632 H CYS 80 H CYS 80 -5.257 3.251 -0.591 633 HA CYS 80 HA CYS 80 -2.777 2.882 -2.232 634 1HB CYS 80 1HB CYS 80 -3.870 1.005 -0.118 635 2HB CYS 80 2HB CYS 80 -2.328 0.895 -0.965 636 H ARG 81 H ARG 81 -3.164 1.787 -4.110 637 HA ARG 81 HA ARG 81 -5.602 0.268 -4.655 638 1HB ARG 81 1HB ARG 81 -4.182 1.188 -6.484 639 2HB ARG 81 2HB ARG 81 -2.847 0.185 -5.903 640 1HG ARG 81 1HG ARG 81 -4.409 -1.860 -6.307 641 2HG ARG 81 2HG ARG 81 -5.438 -0.737 -7.192 642 1HD ARG 81 1HD ARG 81 -2.521 -1.432 -7.732 643 2HD ARG 81 2HD ARG 81 -3.899 -1.989 -8.680 644 HE ARG 81 HE ARG 81 -2.459 0.486 -8.910 645 1HH1 ARG 81 1HH2 ARG 81 -5.726 -0.851 -9.369 646 2HH1 ARG 81 2HH2 ARG 81 -6.151 0.334 -10.576 647 1HH2 ARG 81 1HH1 ARG 81 -3.001 1.954 -10.444 648 2HH2 ARG 81 2HH1 ARG 81 -4.592 1.986 -11.188 649 H VAL 82 H VAL 82 -5.900 -1.937 -3.973 650 HA VAL 82 HA VAL 82 -3.455 -3.473 -3.271 651 HB VAL 82 HB VAL 82 -6.085 -3.520 -1.731 652 1HG1 VAL 82 1HG1 VAL 82 -4.907 -5.697 -1.905 653 2HG1 VAL 82 2HG1 VAL 82 -3.416 -4.929 -1.310 654 3HG1 VAL 82 3HG1 VAL 82 -4.850 -5.048 -0.259 655 1HG2 VAL 82 1HG2 VAL 82 -3.353 -2.412 -0.930 656 2HG2 VAL 82 2HG2 VAL 82 -4.834 -1.460 -1.180 657 3HG2 VAL 82 3HG2 VAL 82 -4.748 -2.606 0.146 658 H ASN 83 H ASN 83 -3.336 -4.710 -5.066 659 HA ASN 83 HA ASN 83 -5.701 -6.389 -5.724 660 1HB ASN 83 1HB ASN 83 -5.488 -4.372 -7.287 661 2HB ASN 83 2HB ASN 83 -3.976 -5.044 -7.836 662 1HD2 ASN 83 2HD2 ASN 83 -4.494 -5.693 -9.946 663 2HD2 ASN 83 1HD2 ASN 83 -5.771 -6.834 -10.309 664 H HIS 84 H HIS 84 -4.556 -8.058 -4.539 665 HA HIS 84 HA HIS 84 -1.990 -9.119 -5.566 666 1HB HIS 84 1HB HIS 84 -2.599 -9.380 -3.214 667 2HB HIS 84 2HB HIS 84 -4.084 -10.210 -3.678 668 HD2 HIS 84 HD2 HIS 84 -0.173 -10.914 -4.080 669 HE1 HIS 84 HE1 HIS 84 -2.356 -14.543 -3.871 670 HE2 HIS 84 HE2 HIS 84 0.009 -13.515 -4.037 671 H VAL 85 H VAL 85 -2.076 -11.244 -6.779 672 HA VAL 85 HA VAL 85 -3.928 -11.335 -8.829 673 HB VAL 85 HB VAL 85 -1.750 -12.435 -8.841 674 1HG1 VAL 85 1HG1 VAL 85 -1.754 -13.581 -6.664 675 2HG1 VAL 85 2HG1 VAL 85 -3.042 -14.677 -7.223 676 3HG1 VAL 85 3HG1 VAL 85 -1.451 -14.709 -7.994 677 1HG2 VAL 85 1HG2 VAL 85 -4.025 -14.311 -9.583 678 2HG2 VAL 85 2HG2 VAL 85 -3.450 -12.935 -10.551 679 3HG2 VAL 85 3HG2 VAL 85 -2.380 -14.312 -10.246 680 H THR 86 H THR 86 -4.210 -12.936 -5.643 681 HA THR 86 HA THR 86 -6.495 -14.485 -6.441 682 HB THR 86 HB THR 86 -4.801 -14.985 -4.618 683 HG1 THR 86 HG1 THR 86 -7.594 -15.355 -4.361 684 1HG2 THR 86 1HG2 THR 86 -6.877 -13.698 -2.828 685 2HG2 THR 86 2HG2 THR 86 -5.277 -14.353 -2.407 686 3HG2 THR 86 3HG2 THR 86 -5.417 -12.817 -3.298 687 H LEU 87 H LEU 87 -6.194 -11.131 -5.419 688 HA LEU 87 HA LEU 87 -9.010 -10.848 -4.667 689 1HB LEU 87 1HB LEU 87 -6.716 -8.980 -5.271 690 2HB LEU 87 2HB LEU 87 -8.355 -8.398 -5.483 691 HG LEU 87 HG LEU 87 -8.964 -8.843 -3.228 692 1HD1 LEU 87 1HD1 LEU 87 -7.615 -10.842 -2.689 693 2HD1 LEU 87 2HD1 LEU 87 -6.124 -9.895 -2.851 694 3HD1 LEU 87 3HD1 LEU 87 -7.261 -9.548 -1.535 695 1HD2 LEU 87 1HD2 LEU 87 -7.865 -6.705 -3.810 696 2HD2 LEU 87 2HD2 LEU 87 -7.502 -7.169 -2.138 697 3HD2 LEU 87 3HD2 LEU 87 -6.281 -7.397 -3.405 698 H SER 88 H SER 88 -7.057 -9.934 -7.528 699 HA SER 88 HA SER 88 -7.534 -9.609 -9.687 700 1HB SER 88 1HB SER 88 -10.244 -10.950 -9.324 701 2HB SER 88 2HB SER 88 -9.437 -10.538 -10.834 702 HG SER 88 HG SER 88 -8.273 -12.232 -8.885 703 H GLN 89 H GLN 89 -10.186 -8.795 -7.435 704 HA GLN 89 HA GLN 89 -11.007 -6.445 -8.963 705 1HB GLN 89 1HB GLN 89 -11.731 -7.418 -6.181 706 2HB GLN 89 2HB GLN 89 -12.484 -6.058 -7.018 707 1HG GLN 89 1HG GLN 89 -12.538 -8.983 -7.893 708 2HG GLN 89 2HG GLN 89 -13.865 -8.088 -7.149 709 1HE2 GLN 89 2HE2 GLN 89 -13.543 -9.441 -9.873 710 2HE2 GLN 89 1HE2 GLN 89 -14.025 -8.201 -11.013 711 HA PRO 90 HA PRO 90 -7.577 -4.425 -6.819 712 1HB PRO 90 1HB PRO 90 -7.526 -2.016 -8.102 713 2HB PRO 90 2HB PRO 90 -7.039 -3.529 -8.912 714 1HG PRO 90 1HG PRO 90 -9.731 -2.158 -9.085 715 2HG PRO 90 2HG PRO 90 -8.719 -2.778 -10.420 716 1HD PRO 90 1HD PRO 90 -10.784 -4.214 -9.328 717 2HD PRO 90 2HD PRO 90 -9.304 -5.004 -9.954 718 H LYS 91 H LYS 91 -8.209 -4.190 -4.759 719 HA LYS 91 HA LYS 91 -10.510 -2.575 -3.966 720 1HB LYS 91 1HB LYS 91 -8.415 -4.231 -2.509 721 2HB LYS 91 2HB LYS 91 -9.650 -3.330 -1.647 722 1HG LYS 91 1HG LYS 91 -10.653 -5.128 -3.830 723 2HG LYS 91 2HG LYS 91 -9.905 -5.913 -2.440 724 1HD LYS 91 1HD LYS 91 -12.295 -5.740 -2.108 725 2HD LYS 91 2HD LYS 91 -11.416 -4.809 -0.886 726 1HE LYS 91 1HE LYS 91 -11.928 -2.707 -2.093 727 2HE LYS 91 2HE LYS 91 -12.739 -3.632 -3.377 728 1HZ LYS 91 1HZ LYS 91 -13.546 -3.499 -0.556 729 2HZ LYS 91 2HZ LYS 91 -14.281 -2.730 -1.814 730 3HZ LYS 91 3HZ LYS 91 -14.307 -4.375 -1.727 731 H ILE 92 H ILE 92 -10.079 -0.394 -4.382 732 HA ILE 92 HA ILE 92 -7.511 0.748 -3.669 733 HB ILE 92 HB ILE 92 -9.941 2.318 -4.526 734 1HG1 ILE 92 1HG1 ILE 92 -9.851 0.610 -6.200 735 2HG1 ILE 92 2HG1 ILE 92 -9.217 2.114 -6.847 736 1HG2 ILE 92 1HG2 ILE 92 -6.919 2.677 -4.805 737 2HG2 ILE 92 2HG2 ILE 92 -8.142 3.756 -5.506 738 3HG2 ILE 92 3HG2 ILE 92 -7.995 3.594 -3.747 739 1HD1 ILE 92 1HD1 ILE 92 -7.546 -0.270 -5.942 740 2HD1 ILE 92 2HD1 ILE 92 -7.877 0.245 -7.604 741 3HD1 ILE 92 3HD1 ILE 92 -6.889 1.267 -6.556 742 H VAL 93 H VAL 93 -8.014 -0.202 -1.382 743 HA VAL 93 HA VAL 93 -9.898 1.278 0.267 744 HB VAL 93 HB VAL 93 -7.821 -0.864 0.846 745 1HG1 VAL 93 1HG1 VAL 93 -7.980 0.437 2.895 746 2HG1 VAL 93 2HG1 VAL 93 -9.754 0.519 2.762 747 3HG1 VAL 93 3HG1 VAL 93 -8.946 -1.027 3.098 748 1HG2 VAL 93 1HG2 VAL 93 -9.916 -1.482 -0.418 749 2HG2 VAL 93 2HG2 VAL 93 -9.802 -2.269 1.165 750 3HG2 VAL 93 3HG2 VAL 93 -10.876 -0.873 0.937 751 H LYS 94 H LYS 94 -9.485 2.939 1.675 752 HA LYS 94 HA LYS 94 -7.157 4.468 0.993 753 1HB LYS 94 1HB LYS 94 -8.085 6.264 2.122 754 2HB LYS 94 2HB LYS 94 -9.424 5.448 1.318 755 1HG LYS 94 1HG LYS 94 -10.175 4.486 3.447 756 2HG LYS 94 2HG LYS 94 -8.726 5.086 4.276 757 1HD LYS 94 1HD LYS 94 -9.335 7.411 3.703 758 2HD LYS 94 2HD LYS 94 -10.860 6.837 3.001 759 1HE LYS 94 1HE LYS 94 -11.545 5.944 5.199 760 2HE LYS 94 2HE LYS 94 -9.969 6.383 5.891 761 1HZ LYS 94 1HZ LYS 94 -11.924 8.291 4.821 762 2HZ LYS 94 2HZ LYS 94 -11.627 7.994 6.419 763 3HZ LYS 94 3HZ LYS 94 -10.463 8.670 5.469 764 H TRP 95 H TRP 95 -5.974 5.697 2.707 765 HA TRP 95 HA TRP 95 -4.769 3.945 4.743 766 1HB TRP 95 1HB TRP 95 -3.225 5.302 3.582 767 2HB TRP 95 2HB TRP 95 -4.320 6.657 3.548 768 HD1 TRP 95 HD1 TRP 95 -3.084 5.067 6.836 769 HE1 TRP 95 HE1 TRP 95 -2.065 7.022 8.246 770 HE3 TRP 95 HE3 TRP 95 -3.237 8.794 3.364 771 HZ2 TRP 95 HZ2 TRP 95 -1.758 9.848 7.989 772 HZ3 TRP 95 HZ3 TRP 95 -2.584 11.101 3.958 773 HH2 TRP 95 HH2 TRP 95 -1.956 11.655 6.294 774 H ASP 96 H ASP 96 -5.441 7.272 5.438 775 HA ASP 96 HA ASP 96 -7.695 7.307 7.077 776 1HB ASP 96 1HB ASP 96 -6.487 5.493 8.385 777 2HB ASP 96 2HB ASP 96 -5.084 6.555 8.511 778 H ARG 97 H ARG 97 -6.940 9.145 8.924 779 HA ARG 97 HA ARG 97 -4.449 10.363 8.473 780 1HB ARG 97 1HB ARG 97 -5.602 11.555 6.614 781 2HB ARG 97 2HB ARG 97 -6.851 12.118 7.730 782 1HG ARG 97 1HG ARG 97 -5.155 13.424 8.968 783 2HG ARG 97 2HG ARG 97 -3.871 12.762 7.928 784 1HD ARG 97 1HD ARG 97 -4.917 13.784 5.948 785 2HD ARG 97 2HD ARG 97 -6.249 14.402 6.954 786 HE ARG 97 HE ARG 97 -3.841 15.332 8.078 787 1HH1 ARG 97 1HH2 ARG 97 -5.715 15.767 5.085 788 2HH1 ARG 97 2HH2 ARG 97 -5.119 17.383 4.804 789 1HH2 ARG 97 1HH1 ARG 97 -3.076 17.457 7.687 790 2HH2 ARG 97 2HH1 ARG 97 -3.628 18.338 6.284 791 H ASP 98 H ASP 98 -7.670 11.371 9.594 792 HA ASP 98 HA ASP 98 -7.045 10.848 12.386 793 1HB ASP 98 1HB ASP 98 -6.089 13.121 12.020 794 2HB ASP 98 2HB ASP 98 -7.648 13.684 11.412 795 H MET 99 H MET 99 -8.685 9.323 11.229 796 HA MET 99 HA MET 99 -11.470 10.374 11.522 797 1HB MET 99 1HB MET 99 -10.374 8.420 9.452 798 2HB MET 99 2HB MET 99 -12.067 8.867 9.650 799 1HG MET 99 1HG MET 99 -9.784 10.696 8.799 800 2HG MET 99 2HG MET 99 -11.065 10.059 7.778 801 1HE MET 99 1HE MET 99 -13.648 10.588 9.981 802 2HE MET 99 2HE MET 99 -14.223 12.015 9.097 803 3HE MET 99 3HE MET 99 -13.646 10.592 8.199 Start of MODEL 3 1 1H MET 0 1H MET 0 -1.579 -25.423 0.830 2 2H MET 0 2H MET 0 -1.742 -23.792 0.687 3 3H MET 0 3H MET 0 -3.066 -24.765 0.562 4 HA MET 0 HA MET 0 -0.778 -24.759 -1.256 5 1HB MET 0 1HB MET 0 -3.446 -26.218 -1.444 6 2HB MET 0 2HB MET 0 -2.250 -26.098 -2.748 7 1HG MET 0 1HG MET 0 -0.547 -27.151 -1.264 8 2HG MET 0 2HG MET 0 -1.796 -27.393 -0.032 9 1HE MET 0 1HE MET 0 -1.065 -29.916 0.078 10 2HE MET 0 2HE MET 0 -1.024 -30.999 -1.332 11 3HE MET 0 3HE MET 0 0.136 -29.656 -1.209 12 H ILE 1 H ILE 1 -4.276 -23.888 -1.006 13 HA ILE 1 HA ILE 1 -4.370 -22.158 -3.218 14 HB ILE 1 HB ILE 1 -6.340 -21.153 -2.115 15 1HG1 ILE 1 1HG1 ILE 1 -7.249 -22.047 -0.073 16 2HG1 ILE 1 2HG1 ILE 1 -5.844 -23.084 0.197 17 1HG2 ILE 1 1HG2 ILE 1 -6.507 -23.216 -3.469 18 2HG2 ILE 1 2HG2 ILE 1 -6.341 -24.184 -1.987 19 3HG2 ILE 1 3HG2 ILE 1 -7.732 -23.105 -2.196 20 1HD1 ILE 1 1HD1 ILE 1 -5.676 -20.047 0.066 21 2HD1 ILE 1 2HD1 ILE 1 -5.978 -20.943 1.566 22 3HD1 ILE 1 3HD1 ILE 1 -4.460 -21.190 0.711 23 H GLN 2 H GLN 2 -4.959 -19.741 -2.925 24 HA GLN 2 HA GLN 2 -2.453 -18.474 -2.063 25 1HB GLN 2 1HB GLN 2 -4.833 -17.580 -3.729 26 2HB GLN 2 2HB GLN 2 -3.469 -16.539 -3.304 27 1HG GLN 2 1HG GLN 2 -3.116 -17.445 -5.530 28 2HG GLN 2 2HG GLN 2 -1.904 -18.075 -4.404 29 1HE2 GLN 2 2HE2 GLN 2 -1.408 -20.169 -4.858 30 2HE2 GLN 2 1HE2 GLN 2 -2.562 -21.394 -5.335 31 H ARG 3 H ARG 3 -2.274 -17.277 -0.239 32 HA ARG 3 HA ARG 3 -4.596 -16.926 1.492 33 1HB ARG 3 1HB ARG 3 -1.734 -16.028 1.816 34 2HB ARG 3 2HB ARG 3 -2.990 -15.988 3.070 35 1HG ARG 3 1HG ARG 3 -3.258 -18.530 2.658 36 2HG ARG 3 2HG ARG 3 -1.741 -18.428 1.753 37 1HD ARG 3 1HD ARG 3 -2.203 -17.807 4.690 38 2HD ARG 3 2HD ARG 3 -1.256 -19.139 3.993 39 HE ARG 3 HE ARG 3 -0.323 -16.490 3.196 40 1HH1 ARG 3 1HH2 ARG 3 -0.031 -18.970 5.729 41 2HH1 ARG 3 2HH2 ARG 3 1.424 -18.268 6.391 42 1HH2 ARG 3 1HH1 ARG 3 1.499 -15.591 4.085 43 2HH2 ARG 3 2HH1 ARG 3 2.296 -16.307 5.471 44 H THR 4 H THR 4 -5.354 -14.940 2.300 45 HA THR 4 HA THR 4 -5.690 -12.945 0.298 46 HB THR 4 HB THR 4 -6.480 -12.930 3.244 47 HG1 THR 4 HG1 THR 4 -8.412 -13.841 2.420 48 1HG2 THR 4 1HG2 THR 4 -7.764 -11.528 0.858 49 2HG2 THR 4 2HG2 THR 4 -8.353 -11.514 2.527 50 3HG2 THR 4 3HG2 THR 4 -6.820 -10.721 2.138 51 HA PRO 5 HA PRO 5 -2.236 -10.332 1.610 52 1HB PRO 5 1HB PRO 5 -2.990 -7.906 0.552 53 2HB PRO 5 2HB PRO 5 -2.372 -9.261 -0.436 54 1HG PRO 5 1HG PRO 5 -5.256 -8.515 0.087 55 2HG PRO 5 2HG PRO 5 -4.475 -8.854 -1.484 56 1HD PRO 5 1HD PRO 5 -5.879 -10.754 -0.177 57 2HD PRO 5 2HD PRO 5 -4.358 -11.194 -1.002 58 H LYS 6 H LYS 6 -2.083 -9.947 3.729 59 HA LYS 6 HA LYS 6 -4.111 -8.461 5.240 60 1HB LYS 6 1HB LYS 6 -2.792 -10.431 6.157 61 2HB LYS 6 2HB LYS 6 -1.353 -9.394 6.125 62 1HG LYS 6 1HG LYS 6 -2.845 -7.690 7.439 63 2HG LYS 6 2HG LYS 6 -3.935 -9.052 7.701 64 1HD LYS 6 1HD LYS 6 -0.990 -8.922 8.518 65 2HD LYS 6 2HD LYS 6 -2.375 -8.651 9.590 66 1HE LYS 6 1HE LYS 6 -3.169 -10.987 9.107 67 2HE LYS 6 2HE LYS 6 -1.692 -11.259 8.157 68 1HZ LYS 6 1HZ LYS 6 -1.790 -10.565 11.008 69 2HZ LYS 6 2HZ LYS 6 -1.483 -12.059 10.386 70 3HZ LYS 6 3HZ LYS 6 -0.421 -10.826 10.129 71 H ILE 7 H ILE 7 -4.145 -6.339 4.756 72 HA ILE 7 HA ILE 7 -1.708 -4.870 3.968 73 HB ILE 7 HB ILE 7 -4.633 -4.146 3.845 74 1HG1 ILE 7 1HG1 ILE 7 -2.970 -4.766 1.408 75 2HG1 ILE 7 2HG1 ILE 7 -3.646 -6.115 2.325 76 1HG2 ILE 7 1HG2 ILE 7 -2.086 -2.798 2.859 77 2HG2 ILE 7 2HG2 ILE 7 -3.666 -2.406 2.178 78 3HG2 ILE 7 3HG2 ILE 7 -3.358 -2.140 3.899 79 1HD1 ILE 7 1HD1 ILE 7 -5.916 -5.124 2.138 80 2HD1 ILE 7 2HD1 ILE 7 -5.241 -3.901 1.033 81 3HD1 ILE 7 3HD1 ILE 7 -5.193 -5.619 0.604 82 H GLN 8 H GLN 8 -0.676 -3.537 5.528 83 HA GLN 8 HA GLN 8 -2.326 -2.381 7.711 84 1HB GLN 8 1HB GLN 8 -0.188 -2.705 9.022 85 2HB GLN 8 2HB GLN 8 -1.266 -4.090 8.846 86 1HG GLN 8 1HG GLN 8 1.185 -3.637 7.110 87 2HG GLN 8 2HG GLN 8 1.246 -4.507 8.648 88 1HE2 GLN 8 2HE2 GLN 8 1.822 -5.420 5.842 89 2HE2 GLN 8 1HE2 GLN 8 0.801 -6.831 5.639 90 H VAL 9 H VAL 9 -2.496 -0.383 6.791 91 HA VAL 9 HA VAL 9 -0.149 0.893 5.613 92 HB VAL 9 HB VAL 9 -2.966 1.974 5.953 93 1HG1 VAL 9 1HG1 VAL 9 -1.377 3.760 5.547 94 2HG1 VAL 9 2HG1 VAL 9 -0.557 2.828 4.294 95 3HG1 VAL 9 3HG1 VAL 9 -2.207 3.426 4.022 96 1HG2 VAL 9 1HG2 VAL 9 -3.116 -0.033 4.628 97 2HG2 VAL 9 2HG2 VAL 9 -3.231 1.350 3.538 98 3HG2 VAL 9 3HG2 VAL 9 -1.714 0.430 3.643 99 H TYR 10 H TYR 10 1.097 2.398 6.557 100 HA TYR 10 HA TYR 10 0.301 3.509 9.213 101 1HB TYR 10 1HB TYR 10 3.098 3.307 8.156 102 2HB TYR 10 2HB TYR 10 2.548 3.494 9.812 103 HD1 TYR 10 HD1 TYR 10 3.904 1.214 7.542 104 HD2 TYR 10 HD2 TYR 10 0.824 1.467 10.541 105 HE1 TYR 10 HE1 TYR 10 4.079 -1.233 7.912 106 HE2 TYR 10 HE2 TYR 10 0.951 -0.999 10.866 107 HH TYR 10 HH TYR 10 3.516 -2.970 9.364 108 H SER 11 H SER 11 0.990 5.592 9.703 109 HA SER 11 HA SER 11 1.992 7.384 7.573 110 1HB SER 11 1HB SER 11 0.610 9.225 8.790 111 2HB SER 11 2HB SER 11 -0.040 8.270 7.474 112 HG SER 11 HG SER 11 -0.392 7.743 10.256 113 H ARG 12 H ARG 12 3.815 8.444 8.349 114 HA ARG 12 HA ARG 12 4.800 7.673 10.933 115 1HB ARG 12 1HB ARG 12 5.925 9.692 8.960 116 2HB ARG 12 2HB ARG 12 6.754 9.030 10.385 117 1HG ARG 12 1HG ARG 12 6.360 6.697 9.428 118 2HG ARG 12 2HG ARG 12 5.767 7.485 7.957 119 1HD ARG 12 1HD ARG 12 7.997 8.701 7.854 120 2HD ARG 12 2HD ARG 12 8.567 7.617 9.138 121 HE ARG 12 HE ARG 12 7.577 5.850 7.320 122 1HH1 ARG 12 1HH2 ARG 12 9.975 8.460 7.039 123 2HH1 ARG 12 2HH2 ARG 12 10.589 7.887 5.509 124 1HH2 ARG 12 1HH1 ARG 12 8.421 5.113 5.314 125 2HH2 ARG 12 2HH1 ARG 12 9.723 5.980 4.544 126 H HIS 13 H HIS 13 3.952 10.962 9.659 127 HA HIS 13 HA HIS 13 3.306 11.801 12.452 128 1HB HIS 13 1HB HIS 13 3.461 13.476 9.946 129 2HB HIS 13 2HB HIS 13 3.206 14.048 11.595 130 HD2 HIS 13 HD2 HIS 13 5.962 13.969 9.187 131 HE1 HIS 13 HE1 HIS 13 7.873 13.275 12.900 132 HE2 HIS 13 HE2 HIS 13 8.261 13.889 10.452 133 HA PRO 14 HA PRO 14 -0.942 11.101 11.251 134 1HB PRO 14 1HB PRO 14 -2.348 12.427 13.130 135 2HB PRO 14 2HB PRO 14 -1.209 11.131 13.573 136 1HG PRO 14 1HG PRO 14 -0.660 14.114 13.595 137 2HG PRO 14 2HG PRO 14 -0.391 12.943 14.917 138 1HD PRO 14 1HD PRO 14 1.581 13.698 13.160 139 2HD PRO 14 2HD PRO 14 1.519 12.054 13.847 140 H ALA 15 H ALA 15 -0.180 12.372 9.268 141 HA ALA 15 HA ALA 15 -0.525 13.779 7.589 142 1HB ALA 15 1HB ALA 15 -2.836 13.354 7.782 143 2HB ALA 15 2HB ALA 15 -3.036 14.641 8.995 144 3HB ALA 15 3HB ALA 15 -2.577 15.052 7.338 145 H GLU 16 H GLU 16 0.132 15.754 6.885 146 HA GLU 16 HA GLU 16 0.933 17.846 8.871 147 1HB GLU 16 1HB GLU 16 2.634 16.421 6.800 148 2HB GLU 16 2HB GLU 16 3.156 17.869 7.665 149 1HG GLU 16 1HG GLU 16 2.394 15.334 9.160 150 2HG GLU 16 2HG GLU 16 3.986 15.544 8.428 151 H ASN 17 H ASN 17 -0.763 19.175 7.967 152 HA ASN 17 HA ASN 17 -1.400 19.312 5.281 153 1HB ASN 17 1HB ASN 17 -2.765 20.179 7.146 154 2HB ASN 17 2HB ASN 17 -1.667 21.557 7.306 155 1HD2 ASN 17 2HD2 ASN 17 -4.107 22.384 6.969 156 2HD2 ASN 17 1HD2 ASN 17 -4.477 22.840 5.320 157 H GLY 18 H GLY 18 -0.145 19.835 3.576 158 1HA GLY 18 1HA GLY 18 0.957 21.315 2.176 159 2HA GLY 18 2HA GLY 18 1.316 22.389 3.526 160 H LYS 19 H LYS 19 2.521 20.236 5.200 161 HA LYS 19 HA LYS 19 5.205 20.372 3.964 162 1HB LYS 19 1HB LYS 19 4.792 21.396 6.133 163 2HB LYS 19 2HB LYS 19 4.303 19.819 6.776 164 1HG LYS 19 1HG LYS 19 7.073 20.285 5.634 165 2HG LYS 19 2HG LYS 19 6.666 20.737 7.290 166 1HD LYS 19 1HD LYS 19 5.714 18.051 6.915 167 2HD LYS 19 2HD LYS 19 7.370 18.152 6.277 168 1HE LYS 19 1HE LYS 19 8.188 18.952 8.415 169 2HE LYS 19 2HE LYS 19 6.533 19.078 9.058 170 1HZ LYS 19 1HZ LYS 19 7.681 16.548 8.141 171 2HZ LYS 19 2HZ LYS 19 7.745 17.073 9.709 172 3HZ LYS 19 3HZ LYS 19 6.289 16.804 9.005 173 H SER 20 H SER 20 6.213 18.700 3.399 174 HA SER 20 HA SER 20 5.242 16.309 2.751 175 1HB SER 20 1HB SER 20 7.533 15.382 2.573 176 2HB SER 20 2HB SER 20 7.167 16.907 1.770 177 HG SER 20 HG SER 20 8.179 17.968 3.574 178 H ASN 21 H ASN 21 4.723 14.435 3.711 179 HA ASN 21 HA ASN 21 5.652 13.723 6.474 180 1HB ASN 21 1HB ASN 21 3.306 14.462 6.014 181 2HB ASN 21 2HB ASN 21 3.074 12.988 5.105 182 1HD2 ASN 21 2HD2 ASN 21 1.519 13.680 7.264 183 2HD2 ASN 21 1HD2 ASN 21 1.802 12.579 8.602 184 H PHE 22 H PHE 22 4.410 10.979 6.096 185 HA PHE 22 HA PHE 22 5.470 9.897 3.678 186 1HB PHE 22 1HB PHE 22 7.281 9.943 5.836 187 2HB PHE 22 2HB PHE 22 6.658 8.303 5.803 188 HD1 PHE 22 HD1 PHE 22 6.648 7.078 3.468 189 HD2 PHE 22 HD2 PHE 22 8.997 10.585 4.349 190 HE1 PHE 22 HE1 PHE 22 8.194 6.539 1.586 191 HE2 PHE 22 HE2 PHE 22 10.581 9.975 2.539 192 HZ PHE 22 HZ PHE 22 10.162 7.962 1.144 193 H LEU 23 H LEU 23 4.186 8.423 3.027 194 HA LEU 23 HA LEU 23 2.199 7.085 4.768 195 1HB LEU 23 1HB LEU 23 1.373 8.583 3.015 196 2HB LEU 23 2HB LEU 23 2.367 7.764 1.814 197 HG LEU 23 HG LEU 23 0.941 5.718 2.141 198 1HD1 LEU 23 1HD1 LEU 23 0.181 6.077 4.449 199 2HD1 LEU 23 2HD1 LEU 23 -0.537 7.639 4.002 200 3HD1 LEU 23 3HD1 LEU 23 -1.210 6.122 3.363 201 1HD2 LEU 23 1HD2 LEU 23 0.450 7.405 0.377 202 2HD2 LEU 23 2HD2 LEU 23 -1.064 6.754 1.041 203 3HD2 LEU 23 3HD2 LEU 23 -0.481 8.355 1.552 204 H ASN 24 H ASN 24 2.287 4.854 4.911 205 HA ASN 24 HA ASN 24 4.206 3.385 3.150 206 1HB ASN 24 1HB ASN 24 4.090 3.199 6.164 207 2HB ASN 24 2HB ASN 24 5.171 2.348 5.056 208 1HD2 ASN 24 2HD2 ASN 24 4.277 5.596 6.311 209 2HD2 ASN 24 1HD2 ASN 24 5.832 6.337 6.014 210 H CYS 25 H CYS 25 2.645 2.293 2.024 211 HA CYS 25 HA CYS 25 0.572 0.791 3.506 212 1HB CYS 25 1HB CYS 25 1.044 1.025 0.532 213 2HB CYS 25 2HB CYS 25 -0.278 0.184 1.324 214 H TYR 26 H TYR 26 1.847 -0.728 4.631 215 HA TYR 26 HA TYR 26 3.599 -2.522 3.126 216 1HB TYR 26 1HB TYR 26 4.154 -1.839 5.424 217 2HB TYR 26 2HB TYR 26 2.633 -2.445 6.003 218 HD1 TYR 26 HD1 TYR 26 3.461 -3.995 7.625 219 HD2 TYR 26 HD2 TYR 26 4.917 -4.224 3.581 220 HE1 TYR 26 HE1 TYR 26 4.328 -6.267 8.065 221 HE2 TYR 26 HE2 TYR 26 5.728 -6.497 3.995 222 HH TYR 26 HH TYR 26 5.496 -8.064 7.216 223 H VAL 27 H VAL 27 2.982 -4.557 2.360 224 HA VAL 27 HA VAL 27 0.369 -5.644 3.252 225 HB VAL 27 HB VAL 27 1.313 -5.938 0.363 226 1HG1 VAL 27 1HG1 VAL 27 -0.306 -7.585 1.250 227 2HG1 VAL 27 2HG1 VAL 27 -1.348 -6.290 1.801 228 3HG1 VAL 27 3HG1 VAL 27 -1.076 -6.524 0.058 229 1HG2 VAL 27 1HG2 VAL 27 0.970 -3.546 0.661 230 2HG2 VAL 27 2HG2 VAL 27 -0.319 -4.289 -0.297 231 3HG2 VAL 27 3HG2 VAL 27 -0.608 -3.869 1.416 232 H SER 28 H SER 28 0.428 -7.845 3.677 233 HA SER 28 HA SER 28 2.539 -9.464 2.631 234 1HB SER 28 1HB SER 28 3.534 -10.107 4.829 235 2HB SER 28 2HB SER 28 3.775 -8.404 4.569 236 HG SER 28 HG SER 28 2.967 -8.772 6.640 237 H GLY 29 H GLY 29 2.479 -11.721 4.008 238 1HA GLY 29 1HA GLY 29 1.139 -13.438 4.829 239 2HA GLY 29 2HA GLY 29 -0.317 -12.467 4.609 240 H PHE 30 H PHE 30 0.194 -11.714 1.844 241 HA PHE 30 HA PHE 30 -1.137 -13.932 0.634 242 1HB PHE 30 1HB PHE 30 -1.243 -12.516 -1.322 243 2HB PHE 30 2HB PHE 30 -1.614 -11.600 0.086 244 HD1 PHE 30 HD1 PHE 30 0.921 -12.232 -2.519 245 HD2 PHE 30 HD2 PHE 30 -0.124 -9.706 0.820 246 HE1 PHE 30 HE1 PHE 30 2.787 -10.735 -3.081 247 HE2 PHE 30 HE2 PHE 30 1.798 -8.248 0.276 248 HZ PHE 30 HZ PHE 30 3.249 -8.784 -1.649 249 H HIS 31 H HIS 31 -0.478 -14.733 -1.551 250 HA HIS 31 HA HIS 31 2.179 -14.766 -2.544 251 1HB HIS 31 1HB HIS 31 2.960 -16.887 -2.074 252 2HB HIS 31 2HB HIS 31 2.459 -16.302 -0.500 253 HD2 HIS 31 HD2 HIS 31 1.259 -18.678 -3.323 254 HE1 HIS 31 HE1 HIS 31 -0.592 -19.869 0.310 255 HE2 HIS 31 HE2 HIS 31 -0.307 -20.496 -2.146 256 HA PRO 32 HA PRO 32 3.051 -16.145 -4.310 257 1HB PRO 32 1HB PRO 32 3.296 -16.360 -6.990 258 2HB PRO 32 2HB PRO 32 2.514 -17.627 -6.036 259 1HG PRO 32 1HG PRO 32 1.089 -15.336 -7.437 260 2HG PRO 32 2HG PRO 32 0.847 -17.092 -7.704 261 1HD PRO 32 1HD PRO 32 -0.682 -15.705 -5.910 262 2HD PRO 32 2HD PRO 32 -0.138 -17.375 -5.588 263 H SER 33 H SER 33 3.947 -14.642 -6.809 264 HA SER 33 HA SER 33 4.441 -12.201 -5.416 265 1HB SER 33 1HB SER 33 6.042 -11.861 -7.260 266 2HB SER 33 2HB SER 33 6.122 -13.554 -6.729 267 HG SER 33 HG SER 33 4.714 -12.579 -8.975 268 H ASP 34 H ASP 34 2.100 -12.968 -7.870 269 HA ASP 34 HA ASP 34 2.323 -10.452 -9.240 270 1HB ASP 34 1HB ASP 34 1.714 -12.518 -10.370 271 2HB ASP 34 2HB ASP 34 0.271 -12.688 -9.369 272 H ILE 35 H ILE 35 2.097 -9.029 -7.352 273 HA ILE 35 HA ILE 35 -0.756 -8.282 -7.019 274 HB ILE 35 HB ILE 35 0.173 -9.113 -4.988 275 1HG1 ILE 35 1HG1 ILE 35 -0.192 -6.122 -4.666 276 2HG1 ILE 35 2HG1 ILE 35 -1.517 -7.233 -4.927 277 1HG2 ILE 35 1HG2 ILE 35 2.112 -6.815 -5.057 278 2HG2 ILE 35 2HG2 ILE 35 1.909 -8.009 -3.752 279 3HG2 ILE 35 3HG2 ILE 35 2.521 -8.538 -5.319 280 1HD1 ILE 35 1HD1 ILE 35 -0.682 -8.537 -2.880 281 2HD1 ILE 35 2HD1 ILE 35 0.344 -7.140 -2.534 282 3HD1 ILE 35 3HD1 ILE 35 -1.407 -6.939 -2.589 283 H GLU 36 H GLU 36 -1.343 -6.264 -7.136 284 HA GLU 36 HA GLU 36 0.418 -4.346 -8.572 285 1HB GLU 36 1HB GLU 36 -2.593 -4.541 -8.801 286 2HB GLU 36 2HB GLU 36 -1.438 -3.750 -9.872 287 1HG GLU 36 1HG GLU 36 -0.487 -6.063 -10.352 288 2HG GLU 36 2HG GLU 36 -1.830 -6.742 -9.445 289 H VAL 37 H VAL 37 0.882 -2.611 -7.255 290 HA VAL 37 HA VAL 37 -1.234 -1.542 -5.469 291 HB VAL 37 HB VAL 37 1.640 -2.009 -4.625 292 1HG1 VAL 37 1HG1 VAL 37 0.538 -0.075 -3.473 293 2HG1 VAL 37 2HG1 VAL 37 -0.778 -1.162 -2.969 294 3HG1 VAL 37 3HG1 VAL 37 0.873 -1.427 -2.383 295 1HG2 VAL 37 1HG2 VAL 37 -0.925 -3.567 -4.133 296 2HG2 VAL 37 2HG2 VAL 37 0.660 -4.140 -4.718 297 3HG2 VAL 37 3HG2 VAL 37 0.436 -3.655 -3.025 298 H ASP 38 H ASP 38 -1.646 0.056 -6.937 299 HA ASP 38 HA ASP 38 0.474 2.071 -7.439 300 1HB ASP 38 1HB ASP 38 -1.272 3.165 -8.840 301 2HB ASP 38 2HB ASP 38 -0.770 1.572 -9.417 302 H LEU 39 H LEU 39 0.532 3.865 -6.234 303 HA LEU 39 HA LEU 39 -1.467 4.249 -4.088 304 1HB LEU 39 1HB LEU 39 1.266 5.489 -4.583 305 2HB LEU 39 2HB LEU 39 0.156 5.833 -3.236 306 HG LEU 39 HG LEU 39 0.270 3.279 -2.772 307 1HD1 LEU 39 1HD1 LEU 39 1.479 2.398 -4.647 308 2HD1 LEU 39 2HD1 LEU 39 2.758 3.612 -4.467 309 3HD1 LEU 39 3HD1 LEU 39 2.559 2.324 -3.264 310 1HD2 LEU 39 1HD2 LEU 39 2.692 5.057 -2.259 311 2HD2 LEU 39 2HD2 LEU 39 1.191 5.070 -1.306 312 3HD2 LEU 39 3HD2 LEU 39 2.223 3.632 -1.306 313 H LEU 40 H LEU 40 -2.923 5.903 -4.237 314 HA LEU 40 HA LEU 40 -2.930 7.577 -6.686 315 1HB LEU 40 1HB LEU 40 -3.764 5.124 -6.975 316 2HB LEU 40 2HB LEU 40 -5.127 5.627 -5.993 317 HG LEU 40 HG LEU 40 -5.718 5.677 -8.303 318 1HD1 LEU 40 1HD1 LEU 40 -6.613 7.549 -6.917 319 2HD1 LEU 40 2HD1 LEU 40 -5.312 8.591 -7.549 320 3HD1 LEU 40 3HD1 LEU 40 -6.515 7.911 -8.653 321 1HD2 LEU 40 1HD2 LEU 40 -3.372 5.895 -9.191 322 2HD2 LEU 40 2HD2 LEU 40 -4.586 6.876 -10.036 323 3HD2 LEU 40 3HD2 LEU 40 -3.489 7.641 -8.883 324 H LYS 41 H LYS 41 -3.403 9.607 -5.897 325 HA LYS 41 HA LYS 41 -4.578 9.913 -3.350 326 1HB LYS 41 1HB LYS 41 -3.972 11.925 -5.527 327 2HB LYS 41 2HB LYS 41 -4.102 12.252 -3.777 328 1HG LYS 41 1HG LYS 41 -2.125 11.265 -3.272 329 2HG LYS 41 2HG LYS 41 -1.988 10.280 -4.723 330 1HD LYS 41 1HD LYS 41 -0.476 12.102 -4.803 331 2HD LYS 41 2HD LYS 41 -1.622 12.223 -6.136 332 1HE LYS 41 1HE LYS 41 -2.915 13.924 -5.050 333 2HE LYS 41 2HE LYS 41 -2.051 13.641 -3.521 334 1HZ LYS 41 1HZ LYS 41 -0.868 14.816 -5.934 335 2HZ LYS 41 2HZ LYS 41 -1.358 15.626 -4.572 336 3HZ LYS 41 3HZ LYS 41 -0.102 14.562 -4.489 337 H ASN 42 H ASN 42 -5.905 12.483 -4.502 338 HA ASN 42 HA ASN 42 -8.649 11.622 -4.549 339 1HB ASN 42 1HB ASN 42 -8.955 14.059 -5.413 340 2HB ASN 42 2HB ASN 42 -8.320 13.796 -3.789 341 1HD2 ASN 42 2HD2 ASN 42 -6.861 14.114 -7.119 342 2HD2 ASN 42 1HD2 ASN 42 -5.568 15.153 -6.561 343 H GLY 43 H GLY 43 -6.236 12.200 -7.068 344 1HA GLY 43 1HA GLY 43 -7.472 10.480 -8.927 345 2HA GLY 43 2HA GLY 43 -7.997 12.135 -9.310 346 H GLU 44 H GLU 44 -4.894 11.004 -7.962 347 HA GLU 44 HA GLU 44 -3.386 11.513 -10.437 348 1HB GLU 44 1HB GLU 44 -3.613 13.731 -9.373 349 2HB GLU 44 2HB GLU 44 -3.054 13.075 -7.832 350 1HG GLU 44 1HG GLU 44 -0.842 12.545 -8.875 351 2HG GLU 44 2HG GLU 44 -1.409 13.255 -10.396 352 H ARG 45 H ARG 45 -1.747 9.986 -10.509 353 HA ARG 45 HA ARG 45 -1.415 8.232 -8.184 354 1HB ARG 45 1HB ARG 45 -0.192 6.792 -9.549 355 2HB ARG 45 2HB ARG 45 -1.590 7.323 -10.491 356 1HG ARG 45 1HG ARG 45 -0.157 8.907 -11.749 357 2HG ARG 45 2HG ARG 45 1.246 8.429 -10.766 358 1HD ARG 45 1HD ARG 45 0.939 6.079 -11.497 359 2HD ARG 45 2HD ARG 45 -0.348 6.605 -12.602 360 HE ARG 45 HE ARG 45 1.766 8.253 -13.239 361 1HH1 ARG 45 1HH2 ARG 45 1.388 4.725 -13.106 362 2HH1 ARG 45 2HH2 ARG 45 2.691 4.419 -14.225 363 1HH2 ARG 45 1HH1 ARG 45 3.476 7.835 -14.700 364 2HH2 ARG 45 2HH1 ARG 45 3.872 6.197 -15.146 365 H ILE 46 H ILE 46 0.655 7.722 -7.183 366 HA ILE 46 HA ILE 46 2.190 10.065 -6.604 367 HB ILE 46 HB ILE 46 2.364 7.116 -5.905 368 1HG1 ILE 46 1HG1 ILE 46 0.246 8.143 -5.101 369 2HG1 ILE 46 2HG1 ILE 46 1.324 7.634 -3.803 370 1HG2 ILE 46 1HG2 ILE 46 4.500 8.211 -5.590 371 2HG2 ILE 46 2HG2 ILE 46 3.719 9.511 -4.656 372 3HG2 ILE 46 3HG2 ILE 46 3.716 7.815 -4.054 373 1HD1 ILE 46 1HD1 ILE 46 1.213 10.538 -4.641 374 2HD1 ILE 46 2HD1 ILE 46 0.083 9.782 -3.524 375 3HD1 ILE 46 3HD1 ILE 46 1.814 9.796 -3.135 376 H GLU 47 H GLU 47 4.082 10.594 -7.455 377 HA GLU 47 HA GLU 47 5.340 9.076 -9.633 378 1HB GLU 47 1HB GLU 47 6.241 11.575 -8.131 379 2HB GLU 47 2HB GLU 47 7.025 10.875 -9.558 380 1HG GLU 47 1HG GLU 47 4.949 11.251 -10.871 381 2HG GLU 47 2HG GLU 47 4.202 12.034 -9.466 382 H LYS 48 H LYS 48 6.352 10.252 -6.394 383 HA LYS 48 HA LYS 48 8.724 8.580 -6.361 384 1HB LYS 48 1HB LYS 48 7.495 10.461 -4.307 385 2HB LYS 48 2HB LYS 48 9.083 9.681 -4.163 386 1HG LYS 48 1HG LYS 48 9.867 10.829 -6.192 387 2HG LYS 48 2HG LYS 48 8.277 11.599 -6.388 388 1HD LYS 48 1HD LYS 48 8.532 12.695 -4.170 389 2HD LYS 48 2HD LYS 48 10.103 11.906 -3.962 390 1HE LYS 48 1HE LYS 48 10.438 14.201 -4.663 391 2HE LYS 48 2HE LYS 48 10.979 13.112 -5.952 392 1HZ LYS 48 1HZ LYS 48 8.380 14.489 -5.864 393 2HZ LYS 48 2HZ LYS 48 9.678 14.966 -6.760 394 3HZ LYS 48 3HZ LYS 48 8.928 13.539 -7.095 395 H VAL 49 H VAL 49 7.327 6.572 -6.594 396 HA VAL 49 HA VAL 49 6.503 5.501 -3.930 397 HB VAL 49 HB VAL 49 6.277 4.231 -6.689 398 1HG1 VAL 49 1HG1 VAL 49 6.444 2.578 -4.852 399 2HG1 VAL 49 2HG1 VAL 49 5.180 3.436 -3.948 400 3HG1 VAL 49 3HG1 VAL 49 4.796 2.632 -5.487 401 1HG2 VAL 49 1HG2 VAL 49 4.768 6.140 -6.563 402 2HG2 VAL 49 2HG2 VAL 49 3.841 4.645 -6.425 403 3HG2 VAL 49 3HG2 VAL 49 4.179 5.605 -4.968 404 H GLU 50 H GLU 50 8.313 4.923 -2.813 405 HA GLU 50 HA GLU 50 10.499 3.449 -4.200 406 1HB GLU 50 1HB GLU 50 10.962 5.376 -2.562 407 2HB GLU 50 2HB GLU 50 10.401 4.282 -1.294 408 1HG GLU 50 1HG GLU 50 12.170 2.648 -1.975 409 2HG GLU 50 2HG GLU 50 12.719 3.819 -3.187 410 H HIS 51 H HIS 51 11.031 1.312 -3.079 411 HA HIS 51 HA HIS 51 8.897 0.227 -1.415 412 1HB HIS 51 1HB HIS 51 8.454 -1.714 -2.794 413 2HB HIS 51 2HB HIS 51 8.127 -0.273 -3.754 414 HD2 HIS 51 HD2 HIS 51 10.159 0.284 -5.740 415 HE1 HIS 51 HE1 HIS 51 11.791 -3.618 -5.563 416 HE2 HIS 51 HE2 HIS 51 11.765 -1.438 -6.891 417 H SER 52 H SER 52 9.524 -1.515 -0.206 418 HA SER 52 HA SER 52 12.401 -2.115 0.001 419 1HB SER 52 1HB SER 52 11.008 -1.970 2.041 420 2HB SER 52 2HB SER 52 10.002 -3.306 1.441 421 HG SER 52 HG SER 52 11.665 -3.984 2.875 422 H ASP 53 H ASP 53 13.298 -3.695 -1.237 423 HA ASP 53 HA ASP 53 11.962 -4.964 -3.328 424 1HB ASP 53 1HB ASP 53 14.576 -5.714 -1.962 425 2HB ASP 53 2HB ASP 53 14.054 -6.295 -3.550 426 H LEU 54 H LEU 54 11.693 -7.267 -3.775 427 HA LEU 54 HA LEU 54 9.766 -8.177 -2.075 428 1HB LEU 54 1HB LEU 54 9.992 -8.745 -4.475 429 2HB LEU 54 2HB LEU 54 11.286 -9.885 -4.108 430 HG LEU 54 HG LEU 54 8.899 -10.805 -4.504 431 1HD1 LEU 54 1HD1 LEU 54 10.187 -11.686 -1.900 432 2HD1 LEU 54 2HD1 LEU 54 9.011 -12.555 -2.855 433 3HD1 LEU 54 3HD1 LEU 54 10.614 -12.250 -3.531 434 1HD2 LEU 54 1HD2 LEU 54 7.846 -9.000 -3.042 435 2HD2 LEU 54 2HD2 LEU 54 7.251 -10.642 -2.829 436 3HD2 LEU 54 3HD2 LEU 54 8.403 -10.010 -1.676 437 H SER 55 H SER 55 9.738 -9.159 -0.189 438 HA SER 55 HA SER 55 11.902 -11.040 0.613 439 1HB SER 55 1HB SER 55 12.236 -8.851 1.751 440 2HB SER 55 2HB SER 55 10.590 -8.947 2.407 441 HG SER 55 HG SER 55 12.290 -9.760 3.800 442 H PHE 56 H PHE 56 10.656 -12.853 0.160 443 HA PHE 56 HA PHE 56 7.903 -13.000 1.166 444 1HB PHE 56 1HB PHE 56 7.781 -15.085 0.042 445 2HB PHE 56 2HB PHE 56 8.528 -13.938 -1.047 446 HD1 PHE 56 HD1 PHE 56 8.764 -17.127 0.598 447 HD2 PHE 56 HD2 PHE 56 11.068 -14.105 -1.429 448 HE1 PHE 56 HE1 PHE 56 10.701 -18.684 0.478 449 HE2 PHE 56 HE2 PHE 56 13.035 -15.639 -1.467 450 HZ PHE 56 HZ PHE 56 12.836 -17.933 -0.543 451 H SER 57 H SER 57 10.436 -12.801 2.937 452 HA SER 57 HA SER 57 11.616 -13.810 4.512 453 1HB SER 57 1HB SER 57 9.418 -13.910 5.733 454 2HB SER 57 2HB SER 57 9.186 -15.559 5.119 455 HG SER 57 HG SER 57 11.325 -14.594 6.720 456 H LYS 58 H LYS 58 11.606 -16.655 5.221 457 HA LYS 58 HA LYS 58 12.312 -18.033 2.665 458 1HB LYS 58 1HB LYS 58 12.853 -18.567 5.572 459 2HB LYS 58 2HB LYS 58 13.143 -19.768 4.294 460 1HG LYS 58 1HG LYS 58 14.652 -18.345 3.114 461 2HG LYS 58 2HG LYS 58 14.242 -16.936 4.106 462 1HD LYS 58 1HD LYS 58 15.192 -18.034 6.106 463 2HD LYS 58 2HD LYS 58 15.635 -19.454 5.126 464 1HE LYS 58 1HE LYS 58 17.116 -18.057 3.728 465 2HE LYS 58 2HE LYS 58 16.607 -16.600 4.604 466 1HZ LYS 58 1HZ LYS 58 18.053 -18.869 5.777 467 2HZ LYS 58 2HZ LYS 58 18.693 -17.400 5.388 468 3HZ LYS 58 3HZ LYS 58 17.566 -17.516 6.583 469 H ASP 59 H ASP 59 9.923 -17.943 5.256 470 HA ASP 59 HA ASP 59 8.931 -20.562 4.692 471 1HB ASP 59 1HB ASP 59 7.811 -18.302 6.418 472 2HB ASP 59 2HB ASP 59 7.301 -19.996 6.503 473 H TRP 60 H TRP 60 6.262 -20.467 4.845 474 HA TRP 60 HA TRP 60 5.477 -19.856 2.141 475 1HB TRP 60 1HB TRP 60 3.958 -20.954 4.533 476 2HB TRP 60 2HB TRP 60 3.329 -20.851 2.889 477 HD1 TRP 60 HD1 TRP 60 6.128 -22.639 4.855 478 HE1 TRP 60 HE1 TRP 60 6.705 -24.854 3.665 479 HE3 TRP 60 HE3 TRP 60 3.103 -22.192 0.741 480 HZ2 TRP 60 HZ2 TRP 60 5.993 -26.213 1.257 481 HZ3 TRP 60 HZ3 TRP 60 3.065 -23.977 -0.970 482 HH2 TRP 60 HH2 TRP 60 4.526 -25.973 -0.742 483 H SER 61 H SER 61 5.848 -17.520 2.242 484 HA SER 61 HA SER 61 3.281 -16.210 2.444 485 1HB SER 61 1HB SER 61 4.347 -15.828 4.754 486 2HB SER 61 2HB SER 61 5.621 -14.922 3.925 487 HG SER 61 HG SER 61 2.851 -14.365 3.615 488 H PHE 62 H PHE 62 4.065 -13.643 1.873 489 HA PHE 62 HA PHE 62 6.228 -13.383 0.012 490 1HB PHE 62 1HB PHE 62 4.064 -14.669 -1.117 491 2HB PHE 62 2HB PHE 62 3.731 -12.994 -1.514 492 HD1 PHE 62 HD1 PHE 62 5.279 -11.789 -3.097 493 HD2 PHE 62 HD2 PHE 62 6.124 -15.836 -1.825 494 HE1 PHE 62 HE1 PHE 62 6.919 -12.027 -4.871 495 HE2 PHE 62 HE2 PHE 62 7.772 -16.060 -3.577 496 HZ PHE 62 HZ PHE 62 8.220 -14.153 -5.139 497 H TYR 63 H TYR 63 6.717 -11.103 0.240 498 HA TYR 63 HA TYR 63 4.507 -9.208 0.476 499 1HB TYR 63 1HB TYR 63 5.034 -8.453 2.762 500 2HB TYR 63 2HB TYR 63 4.450 -10.123 2.708 501 HD1 TYR 63 HD1 TYR 63 7.351 -8.036 3.364 502 HD2 TYR 63 HD2 TYR 63 5.663 -11.998 3.424 503 HE1 TYR 63 HE1 TYR 63 9.105 -8.719 4.900 504 HE2 TYR 63 HE2 TYR 63 7.435 -12.734 4.936 505 HH TYR 63 HH TYR 63 10.084 -10.529 6.031 506 H LEU 64 H LEU 64 5.296 -7.047 1.159 507 HA LEU 64 HA LEU 64 7.971 -6.217 0.700 508 1HB LEU 64 1HB LEU 64 7.844 -5.307 -1.530 509 2HB LEU 64 2HB LEU 64 7.588 -7.041 -1.596 510 HG LEU 64 HG LEU 64 5.541 -4.842 -1.951 511 1HD1 LEU 64 1HD1 LEU 64 6.374 -7.095 -3.835 512 2HD1 LEU 64 2HD1 LEU 64 5.198 -5.831 -4.186 513 3HD1 LEU 64 3HD1 LEU 64 6.901 -5.398 -3.982 514 1HD2 LEU 64 1HD2 LEU 64 5.197 -7.845 -1.721 515 2HD2 LEU 64 2HD2 LEU 64 4.256 -6.584 -0.859 516 3HD2 LEU 64 3HD2 LEU 64 4.027 -6.869 -2.589 517 H LEU 65 H LEU 65 8.110 -3.885 0.839 518 HA LEU 65 HA LEU 65 5.702 -2.634 2.043 519 1HB LEU 65 1HB LEU 65 8.163 -3.111 3.111 520 2HB LEU 65 2HB LEU 65 8.469 -1.531 2.381 521 HG LEU 65 HG LEU 65 6.285 -2.264 4.393 522 1HD1 LEU 65 1HD1 LEU 65 8.537 -2.272 5.318 523 2HD1 LEU 65 2HD1 LEU 65 8.846 -0.657 4.646 524 3HD1 LEU 65 3HD1 LEU 65 7.626 -0.875 5.925 525 1HD2 LEU 65 1HD2 LEU 65 6.910 0.321 2.939 526 2HD2 LEU 65 2HD2 LEU 65 5.342 -0.486 3.135 527 3HD2 LEU 65 3HD2 LEU 65 6.096 0.308 4.520 528 H TYR 66 H TYR 66 4.997 -0.626 1.161 529 HA TYR 66 HA TYR 66 6.382 0.297 -1.304 530 1HB TYR 66 1HB TYR 66 3.371 -0.074 -1.150 531 2HB TYR 66 2HB TYR 66 4.385 0.137 -2.562 532 HD1 TYR 66 HD1 TYR 66 3.919 -2.390 0.304 533 HD2 TYR 66 HD2 TYR 66 4.547 -1.825 -3.940 534 HE1 TYR 66 HE1 TYR 66 2.905 -4.538 -0.135 535 HE2 TYR 66 HE2 TYR 66 3.421 -3.986 -4.350 536 HH TYR 66 HH TYR 66 2.005 -5.569 -3.450 537 H TYR 67 H TYR 67 7.040 2.152 -0.370 538 HA TYR 67 HA TYR 67 5.044 3.894 0.962 539 1HB TYR 67 1HB TYR 67 7.041 4.679 2.250 540 2HB TYR 67 2HB TYR 67 6.257 3.152 2.544 541 HD1 TYR 67 HD1 TYR 67 8.696 3.430 -0.227 542 HD2 TYR 67 HD2 TYR 67 8.026 2.290 3.856 543 HE1 TYR 67 HE1 TYR 67 10.793 2.124 -0.252 544 HE2 TYR 67 HE2 TYR 67 10.190 1.084 3.874 545 HH TYR 67 HH TYR 67 12.274 0.862 0.967 546 H THR 68 H THR 68 5.126 6.008 0.872 547 HA THR 68 HA THR 68 6.811 7.450 -1.147 548 HB THR 68 HB THR 68 4.820 6.724 -2.154 549 HG1 THR 68 HG1 THR 68 5.734 8.699 -2.719 550 1HG2 THR 68 1HG2 THR 68 3.287 8.475 -0.182 551 2HG2 THR 68 2HG2 THR 68 2.625 7.566 -1.545 552 3HG2 THR 68 3HG2 THR 68 3.290 6.693 -0.152 553 H GLU 69 H GLU 69 7.045 9.749 -0.790 554 HA GLU 69 HA GLU 69 6.670 10.773 1.930 555 1HB GLU 69 1HB GLU 69 7.888 12.766 0.923 556 2HB GLU 69 2HB GLU 69 8.780 11.254 1.050 557 1HG GLU 69 1HG GLU 69 8.624 10.797 -1.292 558 2HG GLU 69 2HG GLU 69 7.429 12.077 -1.547 559 H PHE 70 H PHE 70 4.258 10.655 1.763 560 HA PHE 70 HA PHE 70 2.940 12.272 -0.204 561 1HB PHE 70 1HB PHE 70 0.973 11.550 0.605 562 2HB PHE 70 2HB PHE 70 2.001 10.187 1.010 563 HD1 PHE 70 HD1 PHE 70 -0.557 12.453 2.117 564 HD2 PHE 70 HD2 PHE 70 2.958 10.412 3.490 565 HE1 PHE 70 HE1 PHE 70 -1.148 12.945 4.446 566 HE2 PHE 70 HE2 PHE 70 2.067 10.451 5.833 567 HZ PHE 70 HZ PHE 70 0.030 11.774 6.311 568 H THR 71 H THR 71 2.106 14.225 -0.090 569 HA THR 71 HA THR 71 2.476 15.943 2.323 570 HB THR 71 HB THR 71 2.532 16.651 -0.585 571 HG1 THR 71 HG1 THR 71 4.720 16.681 -0.257 572 1HG2 THR 71 1HG2 THR 71 3.554 18.730 0.279 573 2HG2 THR 71 2HG2 THR 71 1.914 18.547 0.927 574 3HG2 THR 71 3HG2 THR 71 3.316 18.164 1.943 575 HA PRO 72 HA PRO 72 -2.103 15.769 1.446 576 1HB PRO 72 1HB PRO 72 -3.138 16.091 3.919 577 2HB PRO 72 2HB PRO 72 -2.344 14.590 3.384 578 1HG PRO 72 1HG PRO 72 -1.111 16.857 4.974 579 2HG PRO 72 2HG PRO 72 -1.064 15.114 5.355 580 1HD PRO 72 1HD PRO 72 0.980 16.392 4.051 581 2HD PRO 72 2HD PRO 72 0.557 14.714 3.674 582 H THR 73 H THR 73 -1.639 17.746 0.208 583 HA THR 73 HA THR 73 -1.724 20.359 1.369 584 HB THR 73 HB THR 73 -2.143 21.095 -0.975 585 HG1 THR 73 HG1 THR 73 -1.970 18.316 -1.560 586 1HG2 THR 73 1HG2 THR 73 0.122 19.078 -0.651 587 2HG2 THR 73 2HG2 THR 73 0.052 20.415 -1.812 588 3HG2 THR 73 3HG2 THR 73 0.152 20.760 -0.075 589 H GLU 74 H GLU 74 -3.380 20.811 2.669 590 HA GLU 74 HA GLU 74 -5.385 21.290 3.461 591 1HB GLU 74 1HB GLU 74 -5.430 22.831 1.544 592 2HB GLU 74 2HB GLU 74 -6.276 21.631 0.566 593 1HG GLU 74 1HG GLU 74 -8.113 21.619 2.344 594 2HG GLU 74 2HG GLU 74 -7.246 22.929 3.155 595 H LYS 75 H LYS 75 -6.974 19.780 0.673 596 HA LYS 75 HA LYS 75 -8.021 17.640 2.476 597 1HB LYS 75 1HB LYS 75 -9.504 19.597 1.624 598 2HB LYS 75 2HB LYS 75 -9.427 18.785 0.055 599 1HG LYS 75 1HG LYS 75 -10.276 16.675 1.355 600 2HG LYS 75 2HG LYS 75 -10.596 17.784 2.690 601 1HD LYS 75 1HD LYS 75 -11.737 17.978 -0.137 602 2HD LYS 75 2HD LYS 75 -12.587 17.342 1.279 603 1HE LYS 75 1HE LYS 75 -12.431 19.557 2.387 604 2HE LYS 75 2HE LYS 75 -11.600 20.218 0.964 605 1HZ LYS 75 1HZ LYS 75 -14.310 19.107 0.973 606 2HZ LYS 75 2HZ LYS 75 -13.913 20.707 0.930 607 3HZ LYS 75 3HZ LYS 75 -13.519 19.728 -0.335 608 H ASP 76 H ASP 76 -5.539 17.634 0.704 609 HA ASP 76 HA ASP 76 -6.175 15.942 -1.551 610 1HB ASP 76 1HB ASP 76 -4.276 17.502 -1.471 611 2HB ASP 76 2HB ASP 76 -3.525 16.481 -0.236 612 H GLU 77 H GLU 77 -7.162 14.038 -0.984 613 HA GLU 77 HA GLU 77 -6.299 12.461 1.336 614 1HB GLU 77 1HB GLU 77 -8.679 12.642 0.801 615 2HB GLU 77 2HB GLU 77 -8.399 11.953 -0.812 616 1HG GLU 77 1HG GLU 77 -7.663 9.822 0.185 617 2HG GLU 77 2HG GLU 77 -7.776 10.525 1.806 618 H TYR 78 H TYR 78 -4.894 10.811 1.230 619 HA TYR 78 HA TYR 78 -3.922 9.817 -1.408 620 1HB TYR 78 1HB TYR 78 -2.575 9.956 1.275 621 2HB TYR 78 2HB TYR 78 -2.047 8.918 -0.049 622 HD1 TYR 78 HD1 TYR 78 -0.326 9.748 -1.365 623 HD2 TYR 78 HD2 TYR 78 -3.074 12.508 0.447 624 HE1 TYR 78 HE1 TYR 78 0.938 11.682 -2.330 625 HE2 TYR 78 HE2 TYR 78 -1.834 14.408 -0.523 626 HH TYR 78 HH TYR 78 1.190 13.937 -2.411 627 H ALA 79 H ALA 79 -3.897 7.595 -1.813 628 HA ALA 79 HA ALA 79 -4.959 5.748 0.200 629 1HB ALA 79 1HB ALA 79 -6.378 6.299 -2.453 630 2HB ALA 79 2HB ALA 79 -6.747 4.963 -1.360 631 3HB ALA 79 3HB ALA 79 -7.020 6.638 -0.835 632 H CYS 80 H CYS 80 -4.907 3.530 -0.571 633 HA CYS 80 HA CYS 80 -2.821 2.994 -2.645 634 1HB CYS 80 1HB CYS 80 -3.158 1.831 0.134 635 2HB CYS 80 2HB CYS 80 -2.261 1.010 -1.151 636 H ARG 81 H ARG 81 -3.706 1.965 -4.296 637 HA ARG 81 HA ARG 81 -6.150 0.324 -4.044 638 1HB ARG 81 1HB ARG 81 -5.826 1.630 -6.053 639 2HB ARG 81 2HB ARG 81 -4.239 0.892 -6.325 640 1HG ARG 81 1HG ARG 81 -5.168 -1.274 -6.673 641 2HG ARG 81 2HG ARG 81 -6.764 -0.779 -6.131 642 1HD ARG 81 1HD ARG 81 -5.420 0.349 -8.633 643 2HD ARG 81 2HD ARG 81 -6.487 -1.039 -8.634 644 HE ARG 81 HE ARG 81 -8.339 0.250 -8.105 645 1HH1 ARG 81 1HH2 ARG 81 -5.452 2.366 -8.401 646 2HH1 ARG 81 2HH2 ARG 81 -6.422 3.798 -8.567 647 1HH2 ARG 81 1HH1 ARG 81 -9.528 2.160 -8.286 648 2HH2 ARG 81 2HH1 ARG 81 -8.724 3.694 -8.493 649 H VAL 82 H VAL 82 -6.032 -1.927 -3.717 650 HA VAL 82 HA VAL 82 -3.363 -3.220 -4.010 651 HB VAL 82 HB VAL 82 -5.396 -3.664 -1.779 652 1HG1 VAL 82 1HG1 VAL 82 -4.316 -5.748 -2.401 653 2HG1 VAL 82 2HG1 VAL 82 -2.729 -4.944 -2.492 654 3HG1 VAL 82 3HG1 VAL 82 -3.533 -5.157 -0.927 655 1HG2 VAL 82 1HG2 VAL 82 -2.617 -2.399 -1.776 656 2HG2 VAL 82 2HG2 VAL 82 -4.150 -1.585 -1.390 657 3HG2 VAL 82 3HG2 VAL 82 -3.526 -2.842 -0.321 658 H ASN 83 H ASN 83 -3.457 -4.733 -5.529 659 HA ASN 83 HA ASN 83 -5.837 -6.492 -5.641 660 1HB ASN 83 1HB ASN 83 -6.069 -4.784 -7.453 661 2HB ASN 83 2HB ASN 83 -4.537 -5.313 -8.128 662 1HD2 ASN 83 2HD2 ASN 83 -5.002 -6.539 -9.964 663 2HD2 ASN 83 1HD2 ASN 83 -6.247 -7.767 -10.034 664 H HIS 84 H HIS 84 -4.664 -8.159 -4.637 665 HA HIS 84 HA HIS 84 -2.134 -9.212 -5.743 666 1HB HIS 84 1HB HIS 84 -2.692 -9.491 -3.390 667 2HB HIS 84 2HB HIS 84 -4.181 -10.329 -3.822 668 HD2 HIS 84 HD2 HIS 84 -0.265 -10.988 -4.330 669 HE1 HIS 84 HE1 HIS 84 -2.389 -14.641 -4.208 670 HE2 HIS 84 HE2 HIS 84 -0.039 -13.569 -4.365 671 H VAL 85 H VAL 85 -2.228 -11.321 -6.990 672 HA VAL 85 HA VAL 85 -4.189 -11.477 -8.955 673 HB VAL 85 HB VAL 85 -2.035 -12.496 -9.180 674 1HG1 VAL 85 1HG1 VAL 85 -1.656 -13.463 -6.967 675 2HG1 VAL 85 2HG1 VAL 85 -2.956 -14.652 -7.227 676 3HG1 VAL 85 3HG1 VAL 85 -1.489 -14.698 -8.218 677 1HG2 VAL 85 1HG2 VAL 85 -3.911 -13.243 -10.610 678 2HG2 VAL 85 2HG2 VAL 85 -2.683 -14.498 -10.376 679 3HG2 VAL 85 3HG2 VAL 85 -4.217 -14.592 -9.493 680 H THR 86 H THR 86 -4.265 -13.026 -5.732 681 HA THR 86 HA THR 86 -6.570 -14.625 -6.379 682 HB THR 86 HB THR 86 -4.769 -15.060 -4.622 683 HG1 THR 86 HG1 THR 86 -6.583 -16.348 -5.062 684 1HG2 THR 86 1HG2 THR 86 -6.814 -13.835 -2.762 685 2HG2 THR 86 2HG2 THR 86 -5.164 -14.403 -2.412 686 3HG2 THR 86 3HG2 THR 86 -5.422 -12.880 -3.303 687 H LEU 87 H LEU 87 -6.199 -11.266 -5.378 688 HA LEU 87 HA LEU 87 -9.026 -10.919 -4.683 689 1HB LEU 87 1HB LEU 87 -6.677 -9.108 -5.238 690 2HB LEU 87 2HB LEU 87 -8.287 -8.499 -5.557 691 HG LEU 87 HG LEU 87 -9.023 -8.889 -3.327 692 1HD1 LEU 87 1HD1 LEU 87 -7.712 -10.862 -2.660 693 2HD1 LEU 87 2HD1 LEU 87 -6.205 -9.932 -2.797 694 3HD1 LEU 87 3HD1 LEU 87 -7.392 -9.533 -1.536 695 1HD2 LEU 87 1HD2 LEU 87 -6.336 -7.437 -3.402 696 2HD2 LEU 87 2HD2 LEU 87 -7.899 -6.750 -3.896 697 3HD2 LEU 87 3HD2 LEU 87 -7.615 -7.186 -2.201 698 H SER 88 H SER 88 -6.975 -10.138 -7.517 699 HA SER 88 HA SER 88 -7.354 -10.019 -9.708 700 1HB SER 88 1HB SER 88 -8.601 -12.204 -9.475 701 2HB SER 88 2HB SER 88 -10.109 -11.264 -9.406 702 HG SER 88 HG SER 88 -9.382 -10.291 -11.419 703 H GLN 89 H GLN 89 -10.026 -8.953 -7.626 704 HA GLN 89 HA GLN 89 -10.512 -6.632 -9.406 705 1HB GLN 89 1HB GLN 89 -12.572 -6.324 -7.980 706 2HB GLN 89 2HB GLN 89 -12.578 -7.625 -9.177 707 1HG GLN 89 1HG GLN 89 -12.405 -9.324 -7.559 708 2HG GLN 89 2HG GLN 89 -11.838 -8.220 -6.300 709 1HE2 GLN 89 2HE2 GLN 89 -14.688 -8.087 -8.531 710 2HE2 GLN 89 1HE2 GLN 89 -15.861 -7.914 -7.243 711 HA PRO 90 HA PRO 90 -8.027 -4.657 -6.336 712 1HB PRO 90 1HB PRO 90 -8.490 -1.991 -6.895 713 2HB PRO 90 2HB PRO 90 -7.533 -3.064 -7.961 714 1HG PRO 90 1HG PRO 90 -10.467 -2.350 -8.194 715 2HG PRO 90 2HG PRO 90 -9.220 -2.273 -9.476 716 1HD PRO 90 1HD PRO 90 -10.866 -4.401 -9.257 717 2HD PRO 90 2HD PRO 90 -9.132 -4.655 -9.633 718 H LYS 91 H LYS 91 -8.146 -3.694 -4.327 719 HA LYS 91 HA LYS 91 -10.789 -2.766 -3.299 720 1HB LYS 91 1HB LYS 91 -8.863 -4.736 -1.987 721 2HB LYS 91 2HB LYS 91 -10.221 -3.934 -1.172 722 1HG LYS 91 1HG LYS 91 -11.788 -4.904 -2.846 723 2HG LYS 91 2HG LYS 91 -10.433 -5.775 -3.593 724 1HD LYS 91 1HD LYS 91 -10.068 -7.072 -1.558 725 2HD LYS 91 2HD LYS 91 -11.246 -6.089 -0.674 726 1HE LYS 91 1HE LYS 91 -12.247 -8.234 -1.316 727 2HE LYS 91 2HE LYS 91 -13.071 -6.884 -2.111 728 1HZ LYS 91 1HZ LYS 91 -11.075 -8.656 -3.336 729 2HZ LYS 91 2HZ LYS 91 -12.697 -8.644 -3.636 730 3HZ LYS 91 3HZ LYS 91 -11.773 -7.363 -4.082 731 H ILE 92 H ILE 92 -10.524 -0.697 -2.735 732 HA ILE 92 HA ILE 92 -7.830 0.365 -2.410 733 HB ILE 92 HB ILE 92 -10.373 1.989 -2.243 734 1HG1 ILE 92 1HG1 ILE 92 -10.812 0.728 -4.223 735 2HG1 ILE 92 2HG1 ILE 92 -10.310 2.354 -4.664 736 1HG2 ILE 92 1HG2 ILE 92 -7.551 2.528 -3.263 737 2HG2 ILE 92 2HG2 ILE 92 -8.891 3.694 -3.244 738 3HG2 ILE 92 3HG2 ILE 92 -8.241 3.059 -1.720 739 1HD1 ILE 92 1HD1 ILE 92 -8.076 1.553 -5.273 740 2HD1 ILE 92 2HD1 ILE 92 -8.489 -0.093 -4.743 741 3HD1 ILE 92 3HD1 ILE 92 -9.330 0.626 -6.121 742 H VAL 93 H VAL 93 -6.954 0.366 -0.349 743 HA VAL 93 HA VAL 93 -8.681 0.022 1.945 744 HB VAL 93 HB VAL 93 -5.673 0.282 1.628 745 1HG1 VAL 93 1HG1 VAL 93 -6.165 1.173 3.859 746 2HG1 VAL 93 2HG1 VAL 93 -7.233 -0.210 4.202 747 3HG1 VAL 93 3HG1 VAL 93 -5.487 -0.448 3.998 748 1HG2 VAL 93 1HG2 VAL 93 -6.620 -1.826 0.824 749 2HG2 VAL 93 2HG2 VAL 93 -5.840 -2.129 2.389 750 3HG2 VAL 93 3HG2 VAL 93 -7.594 -2.003 2.301 751 H LYS 94 H LYS 94 -7.357 2.653 0.425 752 HA LYS 94 HA LYS 94 -7.070 4.870 0.912 753 1HB LYS 94 1HB LYS 94 -9.133 6.039 1.524 754 2HB LYS 94 2HB LYS 94 -9.240 4.948 0.138 755 1HG LYS 94 1HG LYS 94 -10.459 3.290 1.418 756 2HG LYS 94 2HG LYS 94 -10.237 4.203 2.924 757 1HD LYS 94 1HD LYS 94 -11.514 6.095 1.992 758 2HD LYS 94 2HD LYS 94 -11.752 5.194 0.478 759 1HE LYS 94 1HE LYS 94 -12.972 3.428 1.698 760 2HE LYS 94 2HE LYS 94 -12.693 4.269 3.236 761 1HZ LYS 94 1HZ LYS 94 -14.209 5.364 0.972 762 2HZ LYS 94 2HZ LYS 94 -14.866 4.690 2.325 763 3HZ LYS 94 3HZ LYS 94 -13.990 6.080 2.441 764 H TRP 95 H TRP 95 -5.437 4.849 2.265 765 HA TRP 95 HA TRP 95 -4.946 4.406 4.838 766 1HB TRP 95 1HB TRP 95 -3.265 5.307 3.442 767 2HB TRP 95 2HB TRP 95 -4.209 6.730 3.080 768 HD1 TRP 95 HD1 TRP 95 -2.785 5.336 6.430 769 HE1 TRP 95 HE1 TRP 95 -1.844 7.343 7.772 770 HE3 TRP 95 HE3 TRP 95 -3.491 9.051 3.005 771 HZ2 TRP 95 HZ2 TRP 95 -2.011 10.253 7.606 772 HZ3 TRP 95 HZ3 TRP 95 -2.980 11.400 3.597 773 HH2 TRP 95 HH2 TRP 95 -2.483 12.008 5.945 774 H ASP 96 H ASP 96 -6.157 4.707 6.612 775 HA ASP 96 HA ASP 96 -7.856 7.009 7.031 776 1HB ASP 96 1HB ASP 96 -8.386 4.784 7.955 777 2HB ASP 96 2HB ASP 96 -6.912 4.834 8.941 778 H ARG 97 H ARG 97 -7.540 8.604 8.695 779 HA ARG 97 HA ARG 97 -4.690 9.276 9.267 780 1HB ARG 97 1HB ARG 97 -5.417 11.660 8.792 781 2HB ARG 97 2HB ARG 97 -5.027 10.613 7.439 782 1HG ARG 97 1HG ARG 97 -7.926 10.896 8.260 783 2HG ARG 97 2HG ARG 97 -7.123 12.185 7.356 784 1HD ARG 97 1HD ARG 97 -6.492 10.649 5.564 785 2HD ARG 97 2HD ARG 97 -7.235 9.294 6.424 786 HE ARG 97 HE ARG 97 -9.121 11.416 6.043 787 1HH1 ARG 97 1HH2 ARG 97 -7.529 8.690 4.356 788 2HH1 ARG 97 2HH2 ARG 97 -8.770 8.620 3.120 789 1HH2 ARG 97 1HH1 ARG 97 -10.793 11.142 4.463 790 2HH2 ARG 97 2HH1 ARG 97 -10.580 9.946 3.197 791 H ASP 98 H ASP 98 -4.672 8.911 11.346 792 HA ASP 98 HA ASP 98 -6.497 9.029 13.348 793 1HB ASP 98 1HB ASP 98 -4.196 8.272 13.623 794 2HB ASP 98 2HB ASP 98 -3.584 9.916 13.391 795 H MET 99 H MET 99 -4.644 11.839 12.106 796 HA MET 99 HA MET 99 -6.786 13.627 13.035 797 1HB MET 99 1HB MET 99 -4.755 13.600 14.669 798 2HB MET 99 2HB MET 99 -3.842 14.338 13.354 799 1HG MET 99 1HG MET 99 -4.644 16.037 14.884 800 2HG MET 99 2HG MET 99 -5.412 16.243 13.315 801 1HE MET 99 1HE MET 99 -6.623 13.512 16.074 802 2HE MET 99 2HE MET 99 -5.758 14.827 16.908 803 3HE MET 99 3HE MET 99 -7.514 14.634 17.120 Start of MODEL 4 1 1H MET 0 1H MET 0 -8.614 -20.458 -4.666 2 2H MET 0 2H MET 0 -8.200 -20.137 -3.099 3 3H MET 0 3H MET 0 -7.214 -19.652 -4.322 4 HA MET 0 HA MET 0 -7.847 -22.396 -3.563 5 1HB MET 0 1HB MET 0 -6.134 -23.089 -5.211 6 2HB MET 0 2HB MET 0 -7.558 -22.340 -5.910 7 1HG MET 0 1HG MET 0 -6.424 -20.270 -6.337 8 2HG MET 0 2HG MET 0 -4.980 -20.795 -5.464 9 1HE MET 0 1HE MET 0 -5.148 -19.519 -8.385 10 2HE MET 0 2HE MET 0 -3.568 -19.975 -7.696 11 3HE MET 0 3HE MET 0 -4.019 -20.523 -9.322 12 H ILE 1 H ILE 1 -4.626 -22.425 -4.065 13 HA ILE 1 HA ILE 1 -4.049 -22.608 -1.319 14 HB ILE 1 HB ILE 1 -2.032 -22.258 -3.538 15 1HG1 ILE 1 1HG1 ILE 1 -2.083 -24.964 -2.983 16 2HG1 ILE 1 2HG1 ILE 1 -3.798 -24.578 -2.861 17 1HG2 ILE 1 1HG2 ILE 1 -1.832 -23.619 -0.820 18 2HG2 ILE 1 2HG2 ILE 1 -0.546 -23.527 -2.042 19 3HG2 ILE 1 3HG2 ILE 1 -1.105 -22.060 -1.245 20 1HD1 ILE 1 1HD1 ILE 1 -3.692 -23.621 -5.184 21 2HD1 ILE 1 2HD1 ILE 1 -1.949 -23.948 -5.212 22 3HD1 ILE 1 3HD1 ILE 1 -3.107 -25.292 -5.133 23 H GLN 2 H GLN 2 -3.583 -20.188 -3.626 24 HA GLN 2 HA GLN 2 -1.828 -18.316 -2.664 25 1HB GLN 2 1HB GLN 2 -4.480 -17.731 -4.034 26 2HB GLN 2 2HB GLN 2 -3.114 -16.615 -3.886 27 1HG GLN 2 1HG GLN 2 -1.698 -18.301 -5.125 28 2HG GLN 2 2HG GLN 2 -3.150 -19.237 -5.454 29 1HE2 GLN 2 2HE2 GLN 2 -1.216 -17.618 -7.227 30 2HE2 GLN 2 1HE2 GLN 2 -2.305 -16.656 -8.202 31 H ARG 3 H ARG 3 -1.655 -17.334 -0.694 32 HA ARG 3 HA ARG 3 -3.977 -17.056 1.010 33 1HB ARG 3 1HB ARG 3 -1.049 -16.711 1.297 34 2HB ARG 3 2HB ARG 3 -1.990 -15.542 2.216 35 1HG ARG 3 1HG ARG 3 -2.546 -18.514 2.387 36 2HG ARG 3 2HG ARG 3 -1.415 -17.653 3.448 37 1HD ARG 3 1HD ARG 3 -3.196 -16.119 4.187 38 2HD ARG 3 2HD ARG 3 -4.369 -16.949 3.146 39 HE ARG 3 HE ARG 3 -3.077 -18.798 4.918 40 1HH1 ARG 3 1HH2 ARG 3 -5.574 -16.267 4.840 41 2HH1 ARG 3 2HH2 ARG 3 -6.505 -16.970 6.135 42 1HH2 ARG 3 1HH1 ARG 3 -4.313 -19.704 6.623 43 2HH2 ARG 3 2HH1 ARG 3 -5.781 -18.929 7.158 44 H THR 4 H THR 4 -4.827 -15.133 1.888 45 HA THR 4 HA THR 4 -5.218 -13.078 -0.082 46 HB THR 4 HB THR 4 -6.866 -12.324 1.701 47 HG1 THR 4 HG1 THR 4 -5.710 -13.274 3.451 48 1HG2 THR 4 1HG2 THR 4 -8.409 -14.197 1.350 49 2HG2 THR 4 2HG2 THR 4 -7.531 -13.847 -0.151 50 3HG2 THR 4 3HG2 THR 4 -7.074 -15.248 0.843 51 HA PRO 5 HA PRO 5 -2.329 -10.247 1.835 52 1HB PRO 5 1HB PRO 5 -3.190 -7.859 0.816 53 2HB PRO 5 2HB PRO 5 -2.400 -9.120 -0.179 54 1HG PRO 5 1HG PRO 5 -5.354 -8.558 0.151 55 2HG PRO 5 2HG PRO 5 -4.436 -8.803 -1.363 56 1HD PRO 5 1HD PRO 5 -5.844 -10.826 -0.151 57 2HD PRO 5 2HD PRO 5 -4.293 -11.135 -0.993 58 H LYS 6 H LYS 6 -2.321 -9.772 3.941 59 HA LYS 6 HA LYS 6 -4.504 -8.381 5.329 60 1HB LYS 6 1HB LYS 6 -3.012 -10.116 6.435 61 2HB LYS 6 2HB LYS 6 -1.666 -8.981 6.242 62 1HG LYS 6 1HG LYS 6 -3.271 -7.270 7.413 63 2HG LYS 6 2HG LYS 6 -4.184 -8.706 7.905 64 1HD LYS 6 1HD LYS 6 -2.101 -9.642 8.935 65 2HD LYS 6 2HD LYS 6 -1.221 -8.177 8.469 66 1HE LYS 6 1HE LYS 6 -3.587 -8.324 10.395 67 2HE LYS 6 2HE LYS 6 -1.883 -8.084 10.826 68 1HZ LYS 6 1HZ LYS 6 -3.583 -6.241 9.305 69 2HZ LYS 6 2HZ LYS 6 -2.963 -6.012 10.814 70 3HZ LYS 6 3HZ LYS 6 -1.966 -6.041 9.495 71 H ILE 7 H ILE 7 -4.736 -6.315 4.647 72 HA ILE 7 HA ILE 7 -2.456 -4.699 3.684 73 HB ILE 7 HB ILE 7 -5.449 -4.292 3.617 74 1HG1 ILE 7 1HG1 ILE 7 -3.658 -4.940 1.252 75 2HG1 ILE 7 2HG1 ILE 7 -4.411 -6.223 2.200 76 1HG2 ILE 7 1HG2 ILE 7 -4.302 -2.156 3.563 77 2HG2 ILE 7 2HG2 ILE 7 -3.158 -2.739 2.336 78 3HG2 ILE 7 3HG2 ILE 7 -4.870 -2.505 1.933 79 1HD1 ILE 7 1HD1 ILE 7 -5.915 -4.078 0.674 80 2HD1 ILE 7 2HD1 ILE 7 -5.812 -5.807 0.316 81 3HD1 ILE 7 3HD1 ILE 7 -6.654 -5.262 1.775 82 H GLN 8 H GLN 8 -1.463 -3.190 5.130 83 HA GLN 8 HA GLN 8 -3.240 -1.783 7.027 84 1HB GLN 8 1HB GLN 8 -1.147 -1.698 8.432 85 2HB GLN 8 2HB GLN 8 -2.120 -3.169 8.509 86 1HG GLN 8 1HG GLN 8 0.361 -2.898 6.783 87 2HG GLN 8 2HG GLN 8 0.435 -3.388 8.474 88 1HE2 GLN 8 2HE2 GLN 8 1.258 -4.884 6.054 89 2HE2 GLN 8 1HE2 GLN 8 0.373 -6.392 6.131 90 H VAL 9 H VAL 9 -3.342 0.252 6.362 91 HA VAL 9 HA VAL 9 -1.093 1.434 4.795 92 HB VAL 9 HB VAL 9 -4.057 2.112 4.809 93 1HG1 VAL 9 1HG1 VAL 9 -2.691 4.088 4.365 94 2HG1 VAL 9 2HG1 VAL 9 -1.680 3.193 3.234 95 3HG1 VAL 9 3HG1 VAL 9 -3.391 3.522 2.842 96 1HG2 VAL 9 1HG2 VAL 9 -2.338 0.661 2.750 97 2HG2 VAL 9 2HG2 VAL 9 -3.668 -0.025 3.702 98 3HG2 VAL 9 3HG2 VAL 9 -4.012 1.219 2.498 99 H TYR 10 H TYR 10 0.140 2.377 6.385 100 HA TYR 10 HA TYR 10 -1.247 4.142 8.383 101 1HB TYR 10 1HB TYR 10 0.583 3.656 9.872 102 2HB TYR 10 2HB TYR 10 -0.317 2.225 9.392 103 HD1 TYR 10 HD1 TYR 10 2.945 3.944 9.184 104 HD2 TYR 10 HD2 TYR 10 0.660 0.480 8.019 105 HE1 TYR 10 HE1 TYR 10 5.046 2.729 8.640 106 HE2 TYR 10 HE2 TYR 10 2.768 -0.742 7.543 107 HH TYR 10 HH TYR 10 5.968 0.836 7.734 108 H SER 11 H SER 11 -0.284 6.088 9.004 109 HA SER 11 HA SER 11 1.508 7.370 7.050 110 1HB SER 11 1HB SER 11 1.173 9.393 8.329 111 2HB SER 11 2HB SER 11 -0.350 8.665 7.852 112 HG SER 11 HG SER 11 -0.542 7.814 9.957 113 H ARG 12 H ARG 12 3.653 8.037 7.604 114 HA ARG 12 HA ARG 12 4.929 6.466 9.724 115 1HB ARG 12 1HB ARG 12 5.781 6.921 7.245 116 2HB ARG 12 2HB ARG 12 6.440 8.387 7.971 117 1HG ARG 12 1HG ARG 12 8.204 6.901 8.291 118 2HG ARG 12 2HG ARG 12 7.340 6.717 9.826 119 1HD ARG 12 1HD ARG 12 6.029 4.804 8.509 120 2HD ARG 12 2HD ARG 12 7.370 4.924 7.377 121 HE ARG 12 HE ARG 12 8.808 3.943 8.871 122 1HH1 ARG 12 1HH2 ARG 12 5.759 4.676 10.559 123 2HH1 ARG 12 2HH2 ARG 12 6.124 3.641 11.913 124 1HH2 ARG 12 1HH1 ARG 12 9.264 2.605 10.661 125 2HH2 ARG 12 2HH1 ARG 12 8.128 2.471 11.977 126 H HIS 13 H HIS 13 5.146 9.896 8.692 127 HA HIS 13 HA HIS 13 5.394 10.886 11.467 128 1HB HIS 13 1HB HIS 13 5.240 12.267 8.778 129 2HB HIS 13 2HB HIS 13 5.447 13.097 10.322 130 HD2 HIS 13 HD2 HIS 13 7.545 12.036 7.501 131 HE1 HIS 13 HE1 HIS 13 10.077 11.664 10.874 132 HE2 HIS 13 HE2 HIS 13 10.020 11.741 8.321 133 HA PRO 14 HA PRO 14 1.017 11.049 11.720 134 1HB PRO 14 1HB PRO 14 0.500 12.811 13.705 135 2HB PRO 14 2HB PRO 14 1.569 11.409 13.956 136 1HG PRO 14 1HG PRO 14 2.431 14.230 13.242 137 2HG PRO 14 2HG PRO 14 2.979 13.249 14.635 138 1HD PRO 14 1HD PRO 14 4.377 13.327 12.298 139 2HD PRO 14 2HD PRO 14 4.241 11.812 13.232 140 H ALA 15 H ALA 15 1.556 12.213 9.347 141 HA ALA 15 HA ALA 15 0.818 13.559 7.734 142 1HB ALA 15 1HB ALA 15 -1.609 14.079 9.480 143 2HB ALA 15 2HB ALA 15 -1.509 14.101 7.704 144 3HB ALA 15 3HB ALA 15 -1.327 12.580 8.582 145 H GLU 16 H GLU 16 -0.440 15.923 7.416 146 HA GLU 16 HA GLU 16 0.559 18.035 9.063 147 1HB GLU 16 1HB GLU 16 2.457 16.811 7.257 148 2HB GLU 16 2HB GLU 16 2.049 18.348 6.552 149 1HG GLU 16 1HG GLU 16 2.978 17.888 9.428 150 2HG GLU 16 2HG GLU 16 3.999 18.443 8.106 151 H ASN 17 H ASN 17 0.753 19.994 7.035 152 HA ASN 17 HA ASN 17 -1.583 19.647 5.251 153 1HB ASN 17 1HB ASN 17 -2.427 20.851 7.234 154 2HB ASN 17 2HB ASN 17 -1.205 22.107 7.003 155 1HD2 ASN 17 2HD2 ASN 17 -1.215 23.173 4.754 156 2HD2 ASN 17 1HD2 ASN 17 -2.755 23.379 3.939 157 H GLY 18 H GLY 18 -0.323 19.520 3.410 158 1HA GLY 18 1HA GLY 18 0.641 20.477 1.581 159 2HA GLY 18 2HA GLY 18 0.811 22.006 2.444 160 H LYS 19 H LYS 19 2.293 20.128 4.593 161 HA LYS 19 HA LYS 19 4.996 20.465 3.449 162 1HB LYS 19 1HB LYS 19 4.383 21.349 5.650 163 2HB LYS 19 2HB LYS 19 4.012 19.688 6.150 164 1HG LYS 19 1HG LYS 19 6.786 20.711 5.439 165 2HG LYS 19 2HG LYS 19 6.114 20.553 7.067 166 1HD LYS 19 1HD LYS 19 5.673 18.031 6.312 167 2HD LYS 19 2HD LYS 19 6.993 18.417 5.174 168 1HE LYS 19 1HE LYS 19 8.433 19.013 7.097 169 2HE LYS 19 2HE LYS 19 7.102 18.615 8.210 170 1HZ LYS 19 1HZ LYS 19 8.314 16.732 6.315 171 2HZ LYS 19 2HZ LYS 19 8.658 16.812 7.931 172 3HZ LYS 19 3HZ LYS 19 7.146 16.396 7.418 173 H SER 20 H SER 20 5.761 18.857 2.539 174 HA SER 20 HA SER 20 4.863 16.415 1.976 175 1HB SER 20 1HB SER 20 6.855 17.482 0.955 176 2HB SER 20 2HB SER 20 7.794 16.712 2.264 177 HG SER 20 HG SER 20 7.651 15.422 0.358 178 H ASN 21 H ASN 21 4.496 14.586 3.112 179 HA ASN 21 HA ASN 21 5.720 14.111 5.798 180 1HB ASN 21 1HB ASN 21 3.269 14.795 5.439 181 2HB ASN 21 2HB ASN 21 3.030 13.177 4.816 182 1HD2 ASN 21 2HD2 ASN 21 3.849 15.181 7.623 183 2HD2 ASN 21 1HD2 ASN 21 3.556 13.964 8.844 184 H PHE 22 H PHE 22 4.342 11.315 5.694 185 HA PHE 22 HA PHE 22 5.491 10.043 3.389 186 1HB PHE 22 1HB PHE 22 7.176 10.212 5.692 187 2HB PHE 22 2HB PHE 22 6.626 8.549 5.584 188 HD1 PHE 22 HD1 PHE 22 8.838 11.045 4.157 189 HD2 PHE 22 HD2 PHE 22 6.909 7.264 3.405 190 HE1 PHE 22 HE1 PHE 22 10.421 10.604 2.301 191 HE2 PHE 22 HE2 PHE 22 8.476 6.853 1.511 192 HZ PHE 22 HZ PHE 22 10.200 8.536 0.940 193 H LEU 23 H LEU 23 4.152 8.557 2.768 194 HA LEU 23 HA LEU 23 2.243 7.307 4.668 195 1HB LEU 23 1HB LEU 23 1.264 8.732 2.937 196 2HB LEU 23 2HB LEU 23 2.119 7.834 1.681 197 HG LEU 23 HG LEU 23 0.708 5.854 2.246 198 1HD1 LEU 23 1HD1 LEU 23 -0.548 7.796 4.247 199 2HD1 LEU 23 2HD1 LEU 23 -1.214 6.209 3.782 200 3HD1 LEU 23 3HD1 LEU 23 0.308 6.298 4.656 201 1HD2 LEU 23 1HD2 LEU 23 -0.039 7.603 0.581 202 2HD2 LEU 23 2HD2 LEU 23 -1.406 6.814 1.396 203 3HD2 LEU 23 3HD2 LEU 23 -0.887 8.441 1.889 204 H ASN 24 H ASN 24 2.176 5.102 4.824 205 HA ASN 24 HA ASN 24 3.996 3.446 3.103 206 1HB ASN 24 1HB ASN 24 3.378 3.389 6.062 207 2HB ASN 24 2HB ASN 24 4.029 2.003 5.193 208 1HD2 ASN 24 2HD2 ASN 24 5.089 5.403 4.560 209 2HD2 ASN 24 1HD2 ASN 24 6.696 5.153 5.191 210 H CYS 25 H CYS 25 2.491 2.546 1.666 211 HA CYS 25 HA CYS 25 0.148 1.114 2.770 212 1HB CYS 25 1HB CYS 25 1.520 0.538 0.121 213 2HB CYS 25 2HB CYS 25 -0.099 0.105 0.631 214 H TYR 26 H TYR 26 0.570 -0.852 3.863 215 HA TYR 26 HA TYR 26 2.982 -2.387 3.018 216 1HB TYR 26 1HB TYR 26 3.461 -1.326 5.168 217 2HB TYR 26 2HB TYR 26 1.950 -1.891 5.814 218 HD1 TYR 26 HD1 TYR 26 2.810 -3.136 7.691 219 HD2 TYR 26 HD2 TYR 26 4.427 -3.883 3.768 220 HE1 TYR 26 HE1 TYR 26 3.705 -5.309 8.467 221 HE2 TYR 26 HE2 TYR 26 5.341 -6.015 4.544 222 HH TYR 26 HH TYR 26 5.602 -7.471 6.318 223 H VAL 27 H VAL 27 2.461 -4.375 2.345 224 HA VAL 27 HA VAL 27 -0.176 -5.503 3.160 225 HB VAL 27 HB VAL 27 1.067 -5.834 0.384 226 1HG1 VAL 27 1HG1 VAL 27 -0.567 -7.557 1.239 227 2HG1 VAL 27 2HG1 VAL 27 -1.733 -6.265 1.508 228 3HG1 VAL 27 3HG1 VAL 27 -1.196 -6.648 -0.145 229 1HG2 VAL 27 1HG2 VAL 27 0.482 -3.467 0.614 230 2HG2 VAL 27 2HG2 VAL 27 -0.660 -4.330 -0.434 231 3HG2 VAL 27 3HG2 VAL 27 -1.117 -3.929 1.249 232 H SER 28 H SER 28 -0.019 -7.640 3.826 233 HA SER 28 HA SER 28 2.296 -9.203 3.083 234 1HB SER 28 1HB SER 28 3.093 -9.505 5.419 235 2HB SER 28 2HB SER 28 3.208 -7.814 4.995 236 HG SER 28 HG SER 28 1.034 -9.006 6.395 237 H GLY 29 H GLY 29 2.326 -11.369 4.340 238 1HA GLY 29 1HA GLY 29 1.156 -13.167 5.258 239 2HA GLY 29 2HA GLY 29 -0.375 -12.312 5.083 240 H PHE 30 H PHE 30 0.376 -11.620 2.186 241 HA PHE 30 HA PHE 30 -1.063 -13.832 1.039 242 1HB PHE 30 1HB PHE 30 -1.098 -12.489 -0.957 243 2HB PHE 30 2HB PHE 30 -1.459 -11.512 0.415 244 HD1 PHE 30 HD1 PHE 30 1.071 -12.247 -2.166 245 HD2 PHE 30 HD2 PHE 30 0.013 -9.637 1.099 246 HE1 PHE 30 HE1 PHE 30 2.912 -10.739 -2.788 247 HE2 PHE 30 HE2 PHE 30 1.835 -8.109 0.429 248 HZ PHE 30 HZ PHE 30 3.309 -8.697 -1.471 249 H HIS 31 H HIS 31 -0.333 -14.622 -1.179 250 HA HIS 31 HA HIS 31 2.369 -14.675 -2.051 251 1HB HIS 31 1HB HIS 31 3.123 -16.790 -1.619 252 2HB HIS 31 2HB HIS 31 2.464 -16.346 -0.057 253 HD2 HIS 31 HD2 HIS 31 1.587 -18.527 -3.161 254 HE1 HIS 31 HE1 HIS 31 -0.516 -20.048 0.199 255 HE2 HIS 31 HE2 HIS 31 0.021 -20.474 -2.269 256 HA PRO 32 HA PRO 32 3.324 -16.016 -3.867 257 1HB PRO 32 1HB PRO 32 3.609 -16.083 -6.567 258 2HB PRO 32 2HB PRO 32 2.868 -17.430 -5.685 259 1HG PRO 32 1HG PRO 32 1.400 -15.115 -7.000 260 2HG PRO 32 2HG PRO 32 1.197 -16.862 -7.344 261 1HD PRO 32 1HD PRO 32 -0.401 -15.610 -5.525 262 2HD PRO 32 2HD PRO 32 0.227 -17.260 -5.226 263 H SER 33 H SER 33 4.492 -14.500 -6.048 264 HA SER 33 HA SER 33 4.712 -12.014 -4.660 265 1HB SER 33 1HB SER 33 6.551 -11.671 -6.269 266 2HB SER 33 2HB SER 33 6.593 -13.358 -5.708 267 HG SER 33 HG SER 33 6.790 -13.141 -7.988 268 H ASP 34 H ASP 34 2.668 -12.907 -7.294 269 HA ASP 34 HA ASP 34 3.017 -10.491 -8.810 270 1HB ASP 34 1HB ASP 34 2.502 -12.632 -9.843 271 2HB ASP 34 2HB ASP 34 0.978 -12.741 -8.958 272 H ILE 35 H ILE 35 2.634 -8.948 -7.062 273 HA ILE 35 HA ILE 35 -0.231 -8.171 -7.007 274 HB ILE 35 HB ILE 35 0.476 -9.015 -4.923 275 1HG1 ILE 35 1HG1 ILE 35 0.124 -6.012 -4.611 276 2HG1 ILE 35 2HG1 ILE 35 -1.186 -7.100 -5.036 277 1HG2 ILE 35 1HG2 ILE 35 2.860 -8.434 -4.997 278 2HG2 ILE 35 2HG2 ILE 35 2.414 -6.722 -4.717 279 3HG2 ILE 35 3HG2 ILE 35 2.067 -7.964 -3.493 280 1HD1 ILE 35 1HD1 ILE 35 -0.541 -8.455 -2.920 281 2HD1 ILE 35 2HD1 ILE 35 0.383 -7.027 -2.444 282 3HD1 ILE 35 3HD1 ILE 35 -1.358 -6.893 -2.702 283 H GLU 36 H GLU 36 -0.727 -6.013 -7.128 284 HA GLU 36 HA GLU 36 1.379 -4.134 -8.067 285 1HB GLU 36 1HB GLU 36 -1.398 -3.737 -9.052 286 2HB GLU 36 2HB GLU 36 0.158 -3.400 -9.778 287 1HG GLU 36 1HG GLU 36 0.515 -5.815 -10.182 288 2HG GLU 36 2HG GLU 36 -1.057 -6.164 -9.479 289 H VAL 37 H VAL 37 1.409 -2.179 -6.961 290 HA VAL 37 HA VAL 37 -0.929 -1.344 -5.363 291 HB VAL 37 HB VAL 37 1.855 -1.801 -4.221 292 1HG1 VAL 37 1HG1 VAL 37 0.802 0.206 -3.168 293 2HG1 VAL 37 2HG1 VAL 37 -0.616 -0.783 -2.758 294 3HG1 VAL 37 3HG1 VAL 37 0.961 -1.151 -2.052 295 1HG2 VAL 37 1HG2 VAL 37 -0.817 -3.201 -3.850 296 2HG2 VAL 37 2HG2 VAL 37 0.747 -3.896 -4.338 297 3HG2 VAL 37 3HG2 VAL 37 0.478 -3.347 -2.673 298 H ASP 38 H ASP 38 -1.244 0.314 -6.793 299 HA ASP 38 HA ASP 38 0.799 2.427 -7.050 300 1HB ASP 38 1HB ASP 38 -2.171 2.653 -7.673 301 2HB ASP 38 2HB ASP 38 -0.844 3.655 -8.247 302 H LEU 39 H LEU 39 0.613 4.422 -5.940 303 HA LEU 39 HA LEU 39 -1.499 4.629 -3.840 304 1HB LEU 39 1HB LEU 39 1.086 6.192 -4.117 305 2HB LEU 39 2HB LEU 39 -0.270 6.565 -3.035 306 HG LEU 39 HG LEU 39 0.169 3.864 -2.527 307 1HD1 LEU 39 1HD1 LEU 39 2.284 3.907 -3.784 308 2HD1 LEU 39 2HD1 LEU 39 2.878 5.212 -2.731 309 3HD1 LEU 39 3HD1 LEU 39 2.544 3.604 -2.058 310 1HD2 LEU 39 1HD2 LEU 39 -0.385 5.401 -0.802 311 2HD2 LEU 39 2HD2 LEU 39 1.247 4.832 -0.377 312 3HD2 LEU 39 3HD2 LEU 39 1.024 6.412 -1.131 313 H LEU 40 H LEU 40 -3.040 6.073 -4.095 314 HA LEU 40 HA LEU 40 -3.216 7.588 -6.648 315 1HB LEU 40 1HB LEU 40 -3.959 5.082 -6.615 316 2HB LEU 40 2HB LEU 40 -5.286 5.640 -5.616 317 HG LEU 40 HG LEU 40 -6.012 5.394 -7.860 318 1HD1 LEU 40 1HD1 LEU 40 -5.698 8.395 -7.469 319 2HD1 LEU 40 2HD1 LEU 40 -6.915 7.554 -8.438 320 3HD1 LEU 40 3HD1 LEU 40 -6.924 7.375 -6.673 321 1HD2 LEU 40 1HD2 LEU 40 -3.701 5.611 -8.882 322 2HD2 LEU 40 2HD2 LEU 40 -5.018 6.376 -9.795 323 3HD2 LEU 40 3HD2 LEU 40 -3.936 7.370 -8.816 324 H LYS 41 H LYS 41 -3.822 9.683 -6.022 325 HA LYS 41 HA LYS 41 -5.027 10.076 -3.422 326 1HB LYS 41 1HB LYS 41 -4.403 12.010 -5.641 327 2HB LYS 41 2HB LYS 41 -4.760 12.454 -3.956 328 1HG LYS 41 1HG LYS 41 -2.749 12.080 -3.234 329 2HG LYS 41 2HG LYS 41 -2.606 10.515 -4.018 330 1HD LYS 41 1HD LYS 41 -0.930 11.971 -4.932 331 2HD LYS 41 2HD LYS 41 -2.103 11.594 -6.176 332 1HE LYS 41 1HE LYS 41 -1.455 13.944 -6.272 333 2HE LYS 41 2HE LYS 41 -3.174 13.805 -5.889 334 1HZ LYS 41 1HZ LYS 41 -2.658 14.186 -3.610 335 2HZ LYS 41 2HZ LYS 41 -1.046 14.339 -3.926 336 3HZ LYS 41 3HZ LYS 41 -2.137 15.427 -4.531 337 H ASN 42 H ASN 42 -6.492 12.478 -4.625 338 HA ASN 42 HA ASN 42 -9.176 11.468 -4.745 339 1HB ASN 42 1HB ASN 42 -9.520 13.888 -5.759 340 2HB ASN 42 2HB ASN 42 -9.064 13.680 -4.070 341 1HD2 ASN 42 2HD2 ASN 42 -7.233 13.939 -7.212 342 2HD2 ASN 42 1HD2 ASN 42 -6.032 15.021 -6.540 343 H GLY 43 H GLY 43 -6.715 12.088 -7.198 344 1HA GLY 43 1HA GLY 43 -7.814 10.261 -9.030 345 2HA GLY 43 2HA GLY 43 -8.423 11.866 -9.485 346 H GLU 44 H GLU 44 -5.271 10.895 -8.078 347 HA GLU 44 HA GLU 44 -3.871 11.349 -10.638 348 1HB GLU 44 1HB GLU 44 -3.864 13.530 -9.462 349 2HB GLU 44 2HB GLU 44 -3.182 12.756 -8.025 350 1HG GLU 44 1HG GLU 44 -1.161 12.107 -9.359 351 2HG GLU 44 2HG GLU 44 -1.854 12.930 -10.767 352 H ARG 45 H ARG 45 -2.282 9.846 -10.884 353 HA ARG 45 HA ARG 45 -1.817 7.921 -8.679 354 1HB ARG 45 1HB ARG 45 -2.522 7.129 -10.956 355 2HB ARG 45 2HB ARG 45 -0.977 7.725 -11.592 356 1HG ARG 45 1HG ARG 45 0.249 6.264 -10.004 357 2HG ARG 45 2HG ARG 45 -1.280 5.703 -9.314 358 1HD ARG 45 1HD ARG 45 -0.387 5.302 -12.198 359 2HD ARG 45 2HD ARG 45 -0.219 4.126 -10.880 360 HE ARG 45 HE ARG 45 -2.944 5.105 -11.352 361 1HH1 ARG 45 1HH2 ARG 45 -0.589 2.530 -12.073 362 2HH1 ARG 45 2HH2 ARG 45 -1.792 1.454 -12.723 363 1HH2 ARG 45 1HH1 ARG 45 -4.503 3.651 -12.198 364 2HH2 ARG 45 2HH1 ARG 45 -4.010 2.078 -12.770 365 H ILE 46 H ILE 46 0.068 7.786 -7.587 366 HA ILE 46 HA ILE 46 2.067 9.825 -7.987 367 HB ILE 46 HB ILE 46 1.563 7.628 -5.931 368 1HG1 ILE 46 1HG1 ILE 46 0.876 10.607 -5.973 369 2HG1 ILE 46 2HG1 ILE 46 -0.285 9.275 -6.037 370 1HG2 ILE 46 1HG2 ILE 46 3.908 8.353 -6.030 371 2HG2 ILE 46 2HG2 ILE 46 3.377 10.051 -5.870 372 3HG2 ILE 46 3HG2 ILE 46 3.111 8.881 -4.543 373 1HD1 ILE 46 1HD1 ILE 46 1.397 10.088 -3.668 374 2HD1 ILE 46 2HD1 ILE 46 -0.370 10.052 -3.879 375 3HD1 ILE 46 3HD1 ILE 46 0.518 8.549 -3.741 376 H GLU 47 H GLU 47 3.767 9.422 -9.253 377 HA GLU 47 HA GLU 47 4.567 6.700 -10.026 378 1HB GLU 47 1HB GLU 47 5.677 9.433 -10.774 379 2HB GLU 47 2HB GLU 47 6.212 7.874 -11.431 380 1HG GLU 47 1HG GLU 47 3.863 7.437 -12.213 381 2HG GLU 47 2HG GLU 47 3.421 9.079 -11.715 382 H LYS 48 H LYS 48 5.679 9.294 -7.848 383 HA LYS 48 HA LYS 48 8.266 8.079 -7.361 384 1HB LYS 48 1HB LYS 48 7.813 10.516 -7.332 385 2HB LYS 48 2HB LYS 48 6.837 10.318 -5.869 386 1HG LYS 48 1HG LYS 48 8.841 9.489 -4.649 387 2HG LYS 48 2HG LYS 48 9.782 9.541 -6.152 388 1HD LYS 48 1HD LYS 48 9.424 12.001 -6.274 389 2HD LYS 48 2HD LYS 48 8.512 11.934 -4.749 390 1HE LYS 48 1HE LYS 48 10.525 11.034 -3.595 391 2HE LYS 48 2HE LYS 48 11.434 11.111 -5.117 392 1HZ LYS 48 1HZ LYS 48 11.122 13.476 -5.117 393 2HZ LYS 48 2HZ LYS 48 10.232 13.403 -3.729 394 3HZ LYS 48 3HZ LYS 48 11.824 13.001 -3.699 395 H VAL 49 H VAL 49 7.056 5.967 -6.963 396 HA VAL 49 HA VAL 49 6.442 5.581 -4.065 397 HB VAL 49 HB VAL 49 5.834 3.822 -6.468 398 1HG1 VAL 49 1HG1 VAL 49 5.072 3.587 -3.519 399 2HG1 VAL 49 2HG1 VAL 49 4.445 2.565 -4.829 400 3HG1 VAL 49 3HG1 VAL 49 6.160 2.501 -4.407 401 1HG2 VAL 49 1HG2 VAL 49 4.045 5.634 -4.790 402 2HG2 VAL 49 2HG2 VAL 49 4.465 5.843 -6.498 403 3HG2 VAL 49 3HG2 VAL 49 3.475 4.464 -6.003 404 H GLU 50 H GLU 50 8.179 4.781 -2.934 405 HA GLU 50 HA GLU 50 10.246 3.152 -4.348 406 1HB GLU 50 1HB GLU 50 10.905 5.262 -3.038 407 2HB GLU 50 2HB GLU 50 10.450 4.359 -1.585 408 1HG GLU 50 1HG GLU 50 12.090 2.592 -2.196 409 2HG GLU 50 2HG GLU 50 12.529 3.534 -3.634 410 H HIS 51 H HIS 51 10.781 1.079 -3.234 411 HA HIS 51 HA HIS 51 8.996 0.262 -1.097 412 1HB HIS 51 1HB HIS 51 7.945 -1.588 -2.220 413 2HB HIS 51 2HB HIS 51 7.627 -0.148 -3.182 414 HD2 HIS 51 HD2 HIS 51 9.356 0.023 -5.556 415 HE1 HIS 51 HE1 HIS 51 9.915 -4.171 -5.630 416 HE2 HIS 51 HE2 HIS 51 10.179 -2.019 -6.976 417 H SER 52 H SER 52 9.545 -1.687 -0.111 418 HA SER 52 HA SER 52 12.394 -2.353 -0.193 419 1HB SER 52 1HB SER 52 10.071 -3.516 1.403 420 2HB SER 52 2HB SER 52 11.778 -3.956 1.599 421 HG SER 52 HG SER 52 12.203 -1.769 2.081 422 H ASP 53 H ASP 53 12.851 -3.261 -2.130 423 HA ASP 53 HA ASP 53 11.984 -4.411 -4.115 424 1HB ASP 53 1HB ASP 53 14.103 -5.850 -2.479 425 2HB ASP 53 2HB ASP 53 13.768 -6.148 -4.192 426 H LEU 54 H LEU 54 12.566 -7.071 -1.790 427 HA LEU 54 HA LEU 54 9.819 -7.661 -1.618 428 1HB LEU 54 1HB LEU 54 10.353 -8.749 -3.838 429 2HB LEU 54 2HB LEU 54 11.527 -9.783 -3.038 430 HG LEU 54 HG LEU 54 9.243 -10.794 -3.606 431 1HD1 LEU 54 1HD1 LEU 54 9.982 -10.990 -0.683 432 2HD1 LEU 54 2HD1 LEU 54 9.049 -12.118 -1.631 433 3HD1 LEU 54 3HD1 LEU 54 10.754 -11.866 -2.020 434 1HD2 LEU 54 1HD2 LEU 54 7.865 -8.854 -3.019 435 2HD2 LEU 54 2HD2 LEU 54 7.344 -10.282 -2.115 436 3HD2 LEU 54 3HD2 LEU 54 8.299 -9.081 -1.314 437 H SER 55 H SER 55 9.471 -8.568 0.399 438 HA SER 55 HA SER 55 11.736 -9.929 1.782 439 1HB SER 55 1HB SER 55 11.629 -7.567 2.541 440 2HB SER 55 2HB SER 55 9.924 -7.787 2.975 441 HG SER 55 HG SER 55 12.162 -9.184 4.034 442 H PHE 56 H PHE 56 10.699 -11.966 1.319 443 HA PHE 56 HA PHE 56 7.966 -12.368 2.354 444 1HB PHE 56 1HB PHE 56 8.031 -14.485 1.406 445 2HB PHE 56 2HB PHE 56 8.622 -13.341 0.223 446 HD1 PHE 56 HD1 PHE 56 9.088 -16.486 1.736 447 HD2 PHE 56 HD2 PHE 56 11.226 -13.248 -0.133 448 HE1 PHE 56 HE1 PHE 56 10.918 -18.042 1.130 449 HE2 PHE 56 HE2 PHE 56 13.080 -14.789 -0.686 450 HZ PHE 56 HZ PHE 56 12.926 -17.194 -0.074 451 H SER 57 H SER 57 10.349 -11.705 4.130 452 HA SER 57 HA SER 57 11.467 -12.326 5.949 453 1HB SER 57 1HB SER 57 10.010 -12.942 7.842 454 2HB SER 57 2HB SER 57 9.383 -11.638 6.842 455 HG SER 57 HG SER 57 8.505 -14.291 7.057 456 H LYS 58 H LYS 58 12.376 -14.209 4.330 457 HA LYS 58 HA LYS 58 11.765 -16.453 3.398 458 1HB LYS 58 1HB LYS 58 14.116 -15.633 4.242 459 2HB LYS 58 2HB LYS 58 13.815 -16.638 5.666 460 1HG LYS 58 1HG LYS 58 13.677 -18.644 4.166 461 2HG LYS 58 2HG LYS 58 13.913 -17.587 2.759 462 1HD LYS 58 1HD LYS 58 16.122 -16.895 3.655 463 2HD LYS 58 2HD LYS 58 15.870 -17.928 5.078 464 1HE LYS 58 1HE LYS 58 15.751 -19.925 3.606 465 2HE LYS 58 2HE LYS 58 16.006 -18.892 2.184 466 1HZ LYS 58 1HZ LYS 58 18.130 -18.281 3.094 467 2HZ LYS 58 2HZ LYS 58 17.891 -19.246 4.409 468 3HZ LYS 58 3HZ LYS 58 18.026 -19.915 2.910 469 H ASP 59 H ASP 59 9.584 -16.118 4.945 470 HA ASP 59 HA ASP 59 9.292 -18.722 6.322 471 1HB ASP 59 1HB ASP 59 7.614 -16.205 6.194 472 2HB ASP 59 2HB ASP 59 7.119 -17.670 7.041 473 H TRP 60 H TRP 60 6.862 -19.478 6.041 474 HA TRP 60 HA TRP 60 6.070 -19.824 3.221 475 1HB TRP 60 1HB TRP 60 4.767 -20.648 5.841 476 2HB TRP 60 2HB TRP 60 4.198 -21.070 4.227 477 HD1 TRP 60 HD1 TRP 60 7.148 -21.761 6.595 478 HE1 TRP 60 HE1 TRP 60 8.157 -24.073 6.034 479 HE3 TRP 60 HE3 TRP 60 4.403 -22.880 2.417 480 HZ2 TRP 60 HZ2 TRP 60 7.817 -26.109 4.059 481 HZ3 TRP 60 HZ3 TRP 60 4.759 -25.022 1.233 482 HH2 TRP 60 HH2 TRP 60 6.474 -26.633 2.028 483 H SER 61 H SER 61 6.208 -17.300 3.261 484 HA SER 61 HA SER 61 3.505 -16.224 3.319 485 1HB SER 61 1HB SER 61 4.393 -15.874 5.693 486 2HB SER 61 2HB SER 61 5.674 -14.866 4.991 487 HG SER 61 HG SER 61 2.865 -14.474 4.761 488 H PHE 62 H PHE 62 4.113 -13.569 2.860 489 HA PHE 62 HA PHE 62 6.311 -13.097 1.124 490 1HB PHE 62 1HB PHE 62 4.317 -14.565 -0.166 491 2HB PHE 62 2HB PHE 62 3.898 -12.910 -0.577 492 HD1 PHE 62 HD1 PHE 62 5.341 -11.620 -2.133 493 HD2 PHE 62 HD2 PHE 62 6.556 -15.530 -0.729 494 HE1 PHE 62 HE1 PHE 62 7.033 -11.745 -3.864 495 HE2 PHE 62 HE2 PHE 62 8.294 -15.608 -2.403 496 HZ PHE 62 HZ PHE 62 8.563 -13.721 -4.033 497 H TYR 63 H TYR 63 6.596 -10.821 1.145 498 HA TYR 63 HA TYR 63 4.265 -9.103 1.068 499 1HB TYR 63 1HB TYR 63 4.661 -7.946 3.211 500 2HB TYR 63 2HB TYR 63 4.238 -9.646 3.436 501 HD1 TYR 63 HD1 TYR 63 7.047 -7.285 3.537 502 HD2 TYR 63 HD2 TYR 63 5.473 -11.119 4.718 503 HE1 TYR 63 HE1 TYR 63 8.685 -7.369 5.350 504 HE2 TYR 63 HE2 TYR 63 7.039 -11.179 6.598 505 HH TYR 63 HH TYR 63 8.590 -9.950 7.865 506 H LEU 64 H LEU 64 4.960 -6.791 1.414 507 HA LEU 64 HA LEU 64 7.674 -6.026 1.211 508 1HB LEU 64 1HB LEU 64 7.806 -5.144 -1.025 509 2HB LEU 64 2HB LEU 64 7.537 -6.878 -1.096 510 HG LEU 64 HG LEU 64 5.545 -4.672 -1.647 511 1HD1 LEU 64 1HD1 LEU 64 6.668 -6.853 -3.466 512 2HD1 LEU 64 2HD1 LEU 64 5.459 -5.668 -3.936 513 3HD1 LEU 64 3HD1 LEU 64 7.093 -5.121 -3.533 514 1HD2 LEU 64 1HD2 LEU 64 5.207 -7.672 -1.485 515 2HD2 LEU 64 2HD2 LEU 64 4.168 -6.415 -0.733 516 3HD2 LEU 64 3HD2 LEU 64 4.122 -6.705 -2.477 517 H LEU 65 H LEU 65 7.863 -3.732 1.359 518 HA LEU 65 HA LEU 65 5.381 -2.392 2.300 519 1HB LEU 65 1HB LEU 65 7.524 -3.016 3.723 520 2HB LEU 65 2HB LEU 65 8.244 -1.622 2.917 521 HG LEU 65 HG LEU 65 5.796 -1.730 4.739 522 1HD1 LEU 65 1HD1 LEU 65 8.007 -1.821 5.798 523 2HD1 LEU 65 2HD1 LEU 65 8.491 -0.344 4.933 524 3HD1 LEU 65 3HD1 LEU 65 7.199 -0.276 6.146 525 1HD2 LEU 65 1HD2 LEU 65 6.778 0.505 2.956 526 2HD2 LEU 65 2HD2 LEU 65 5.126 -0.065 3.231 527 3HD2 LEU 65 3HD2 LEU 65 5.949 0.851 4.489 528 H TYR 66 H TYR 66 4.737 -0.561 1.166 529 HA TYR 66 HA TYR 66 6.495 0.379 -1.043 530 1HB TYR 66 1HB TYR 66 3.495 0.204 -1.354 531 2HB TYR 66 2HB TYR 66 4.748 0.192 -2.569 532 HD1 TYR 66 HD1 TYR 66 4.974 -1.910 -3.726 533 HD2 TYR 66 HD2 TYR 66 3.470 -1.958 0.334 534 HE1 TYR 66 HE1 TYR 66 3.783 -4.038 -4.143 535 HE2 TYR 66 HE2 TYR 66 2.540 -4.163 -0.044 536 HH TYR 66 HH TYR 66 1.698 -5.566 -1.670 537 H TYR 67 H TYR 67 7.084 2.299 -0.157 538 HA TYR 67 HA TYR 67 4.991 4.060 0.973 539 1HB TYR 67 1HB TYR 67 7.053 5.132 2.064 540 2HB TYR 67 2HB TYR 67 6.264 3.693 2.643 541 HD1 TYR 67 HD1 TYR 67 8.844 4.146 -0.056 542 HD2 TYR 67 HD2 TYR 67 7.848 2.380 3.728 543 HE1 TYR 67 HE1 TYR 67 10.784 2.602 -0.263 544 HE2 TYR 67 HE2 TYR 67 9.782 0.838 3.511 545 HH TYR 67 HH TYR 67 11.323 -0.066 2.023 546 H THR 68 H THR 68 4.929 6.165 0.613 547 HA THR 68 HA THR 68 6.663 7.466 -1.469 548 HB THR 68 HB THR 68 4.566 6.789 -2.390 549 HG1 THR 68 HG1 THR 68 5.618 8.579 -3.191 550 1HG2 THR 68 1HG2 THR 68 3.293 8.824 -0.493 551 2HG2 THR 68 2HG2 THR 68 2.505 7.968 -1.822 552 3HG2 THR 68 3HG2 THR 68 3.086 7.060 -0.402 553 H GLU 69 H GLU 69 6.664 9.892 -1.261 554 HA GLU 69 HA GLU 69 6.443 10.902 1.514 555 1HB GLU 69 1HB GLU 69 7.590 12.903 0.512 556 2HB GLU 69 2HB GLU 69 8.515 11.409 0.606 557 1HG GLU 69 1HG GLU 69 8.290 10.967 -1.748 558 2HG GLU 69 2HG GLU 69 7.128 12.289 -1.951 559 H PHE 70 H PHE 70 4.037 10.716 1.434 560 HA PHE 70 HA PHE 70 2.589 12.191 -0.547 561 1HB PHE 70 1HB PHE 70 0.655 11.524 0.445 562 2HB PHE 70 2HB PHE 70 1.727 10.200 0.863 563 HD1 PHE 70 HD1 PHE 70 -0.696 12.615 2.042 564 HD2 PHE 70 HD2 PHE 70 2.852 10.524 3.225 565 HE1 PHE 70 HE1 PHE 70 -1.078 13.217 4.412 566 HE2 PHE 70 HE2 PHE 70 2.071 10.563 5.611 567 HZ PHE 70 HZ PHE 70 0.177 12.042 6.207 568 H THR 71 H THR 71 1.851 14.183 -0.561 569 HA THR 71 HA THR 71 2.408 16.035 1.701 570 HB THR 71 HB THR 71 2.078 16.661 -1.213 571 HG1 THR 71 HG1 THR 71 4.329 16.830 -1.084 572 1HG2 THR 71 1HG2 THR 71 3.095 18.810 -0.482 573 2HG2 THR 71 2HG2 THR 71 1.568 18.540 0.377 574 3HG2 THR 71 3HG2 THR 71 3.107 18.232 1.196 575 HA PRO 72 HA PRO 72 -2.233 15.838 1.503 576 1HB PRO 72 1HB PRO 72 -2.839 16.493 4.072 577 2HB PRO 72 2HB PRO 72 -2.214 14.899 3.591 578 1HG PRO 72 1HG PRO 72 -0.638 17.253 4.680 579 2HG PRO 72 2HG PRO 72 -0.585 15.564 5.264 580 1HD PRO 72 1HD PRO 72 1.232 16.634 3.532 581 2HD PRO 72 2HD PRO 72 0.741 14.925 3.403 582 H THR 73 H THR 73 -2.064 17.649 -0.007 583 HA THR 73 HA THR 73 -2.004 20.387 0.982 584 HB THR 73 HB THR 73 -2.814 20.862 -1.358 585 HG1 THR 73 HG1 THR 73 -2.614 19.132 -2.817 586 1HG2 THR 73 1HG2 THR 73 -0.604 20.392 -2.368 587 2HG2 THR 73 2HG2 THR 73 -0.428 21.011 -0.716 588 3HG2 THR 73 3HG2 THR 73 -0.226 19.273 -1.043 589 H GLU 74 H GLU 74 -3.499 20.507 2.543 590 HA GLU 74 HA GLU 74 -5.454 20.897 3.566 591 1HB GLU 74 1HB GLU 74 -6.330 21.679 0.753 592 2HB GLU 74 2HB GLU 74 -7.225 22.003 2.243 593 1HG GLU 74 1HG GLU 74 -6.028 23.980 1.687 594 2HG GLU 74 2HG GLU 74 -5.288 23.283 3.133 595 H LYS 75 H LYS 75 -7.208 19.832 0.686 596 HA LYS 75 HA LYS 75 -8.594 17.779 2.340 597 1HB LYS 75 1HB LYS 75 -9.316 19.401 -0.116 598 2HB LYS 75 2HB LYS 75 -10.173 17.913 0.275 599 1HG LYS 75 1HG LYS 75 -11.411 19.765 1.101 600 2HG LYS 75 2HG LYS 75 -10.859 18.757 2.445 601 1HD LYS 75 1HD LYS 75 -9.110 20.360 3.003 602 2HD LYS 75 2HD LYS 75 -9.494 21.350 1.579 603 1HE LYS 75 1HE LYS 75 -11.378 20.791 3.924 604 2HE LYS 75 2HE LYS 75 -10.365 22.235 3.762 605 1HZ LYS 75 1HZ LYS 75 -11.524 22.785 1.765 606 2HZ LYS 75 2HZ LYS 75 -12.483 21.449 1.891 607 3HZ LYS 75 3HZ LYS 75 -12.575 22.639 3.024 608 H ASP 76 H ASP 76 -5.973 17.825 0.204 609 HA ASP 76 HA ASP 76 -6.682 15.768 -1.597 610 1HB ASP 76 1HB ASP 76 -4.839 17.446 -1.779 611 2HB ASP 76 2HB ASP 76 -3.886 16.416 -0.699 612 H GLU 77 H GLU 77 -7.421 13.842 -0.906 613 HA GLU 77 HA GLU 77 -6.217 12.460 1.420 614 1HB GLU 77 1HB GLU 77 -8.653 12.632 1.332 615 2HB GLU 77 2HB GLU 77 -8.694 11.793 -0.229 616 1HG GLU 77 1HG GLU 77 -7.817 9.749 0.789 617 2HG GLU 77 2HG GLU 77 -7.485 10.600 2.310 618 H TYR 78 H TYR 78 -5.357 10.375 1.205 619 HA TYR 78 HA TYR 78 -4.377 9.578 -1.504 620 1HB TYR 78 1HB TYR 78 -2.922 9.638 1.140 621 2HB TYR 78 2HB TYR 78 -2.408 8.664 -0.215 622 HD1 TYR 78 HD1 TYR 78 -0.768 9.598 -1.638 623 HD2 TYR 78 HD2 TYR 78 -3.396 12.231 0.537 624 HE1 TYR 78 HE1 TYR 78 0.445 11.598 -2.519 625 HE2 TYR 78 HE2 TYR 78 -2.308 14.180 -0.512 626 HH TYR 78 HH TYR 78 0.655 13.851 -2.518 627 H ALA 79 H ALA 79 -4.242 7.339 -1.897 628 HA ALA 79 HA ALA 79 -5.355 5.481 0.092 629 1HB ALA 79 1HB ALA 79 -6.615 5.992 -2.652 630 2HB ALA 79 2HB ALA 79 -7.061 4.675 -1.558 631 3HB ALA 79 3HB ALA 79 -7.356 6.362 -1.082 632 H CYS 80 H CYS 80 -5.081 3.260 -0.484 633 HA CYS 80 HA CYS 80 -2.772 2.802 -2.326 634 1HB CYS 80 1HB CYS 80 -3.732 1.253 0.096 635 2HB CYS 80 2HB CYS 80 -2.365 0.813 -0.930 636 H ARG 81 H ARG 81 -3.372 1.883 -4.189 637 HA ARG 81 HA ARG 81 -5.778 0.201 -4.483 638 1HB ARG 81 1HB ARG 81 -5.055 1.543 -6.346 639 2HB ARG 81 2HB ARG 81 -3.445 0.802 -6.324 640 1HG ARG 81 1HG ARG 81 -4.306 -1.350 -6.876 641 2HG ARG 81 2HG ARG 81 -5.984 -0.849 -6.682 642 1HD ARG 81 1HD ARG 81 -4.073 0.088 -8.847 643 2HD ARG 81 2HD ARG 81 -5.397 -1.046 -9.039 644 HE ARG 81 HE ARG 81 -7.019 0.621 -8.654 645 1HH1 ARG 81 1HH2 ARG 81 -3.745 2.001 -9.161 646 2HH1 ARG 81 2HH2 ARG 81 -4.373 3.609 -9.392 647 1HH2 ARG 81 1HH1 ARG 81 -7.765 2.709 -9.040 648 2HH2 ARG 81 2HH1 ARG 81 -6.654 4.004 -9.395 649 H VAL 82 H VAL 82 -5.729 -2.133 -4.398 650 HA VAL 82 HA VAL 82 -3.082 -3.408 -4.066 651 HB VAL 82 HB VAL 82 -5.519 -4.003 -2.337 652 1HG1 VAL 82 1HG1 VAL 82 -2.656 -5.013 -2.313 653 2HG1 VAL 82 2HG1 VAL 82 -3.925 -5.462 -1.151 654 3HG1 VAL 82 3HG1 VAL 82 -4.075 -5.945 -2.847 655 1HG2 VAL 82 1HG2 VAL 82 -2.922 -2.541 -1.660 656 2HG2 VAL 82 2HG2 VAL 82 -4.571 -1.875 -1.577 657 3HG2 VAL 82 3HG2 VAL 82 -4.075 -3.150 -0.464 658 H ASN 83 H ASN 83 -2.881 -4.707 -5.748 659 HA ASN 83 HA ASN 83 -5.258 -6.222 -6.799 660 1HB ASN 83 1HB ASN 83 -2.844 -5.116 -8.269 661 2HB ASN 83 2HB ASN 83 -4.135 -6.087 -8.989 662 1HD2 ASN 83 2HD2 ASN 83 -3.867 -4.133 -10.459 663 2HD2 ASN 83 1HD2 ASN 83 -4.959 -2.796 -10.146 664 H HIS 84 H HIS 84 -4.348 -7.903 -5.047 665 HA HIS 84 HA HIS 84 -1.766 -9.165 -5.744 666 1HB HIS 84 1HB HIS 84 -2.639 -9.246 -3.433 667 2HB HIS 84 2HB HIS 84 -4.054 -10.123 -4.017 668 HD2 HIS 84 HD2 HIS 84 -0.112 -10.784 -4.048 669 HE1 HIS 84 HE1 HIS 84 -2.207 -14.446 -3.947 670 HE2 HIS 84 HE2 HIS 84 0.125 -13.367 -3.973 671 H VAL 85 H VAL 85 -1.747 -11.216 -6.945 672 HA VAL 85 HA VAL 85 -3.509 -11.519 -9.049 673 HB VAL 85 HB VAL 85 -1.342 -12.524 -9.010 674 1HG1 VAL 85 1HG1 VAL 85 -1.137 -13.333 -6.720 675 2HG1 VAL 85 2HG1 VAL 85 -2.432 -14.523 -6.982 676 3HG1 VAL 85 3HG1 VAL 85 -0.895 -14.666 -7.854 677 1HG2 VAL 85 1HG2 VAL 85 -3.453 -14.691 -9.355 678 2HG2 VAL 85 2HG2 VAL 85 -3.088 -13.415 -10.540 679 3HG2 VAL 85 3HG2 VAL 85 -1.853 -14.615 -10.118 680 H THR 86 H THR 86 -3.902 -12.927 -5.785 681 HA THR 86 HA THR 86 -6.148 -14.540 -6.659 682 HB THR 86 HB THR 86 -4.375 -14.962 -4.772 683 HG1 THR 86 HG1 THR 86 -5.827 -16.430 -5.536 684 1HG2 THR 86 1HG2 THR 86 -6.766 -14.070 -3.137 685 2HG2 THR 86 2HG2 THR 86 -5.219 -14.733 -2.569 686 3HG2 THR 86 3HG2 THR 86 -5.280 -13.104 -3.282 687 H LEU 87 H LEU 87 -5.846 -11.226 -5.444 688 HA LEU 87 HA LEU 87 -8.611 -10.936 -4.629 689 1HB LEU 87 1HB LEU 87 -6.345 -9.121 -5.422 690 2HB LEU 87 2HB LEU 87 -7.968 -8.519 -5.661 691 HG LEU 87 HG LEU 87 -8.581 -8.706 -3.420 692 1HD1 LEU 87 1HD1 LEU 87 -7.446 -10.799 -2.714 693 2HD1 LEU 87 2HD1 LEU 87 -5.875 -9.996 -2.856 694 3HD1 LEU 87 3HD1 LEU 87 -7.045 -9.459 -1.635 695 1HD2 LEU 87 1HD2 LEU 87 -7.230 -6.746 -4.119 696 2HD2 LEU 87 2HD2 LEU 87 -6.954 -7.121 -2.404 697 3HD2 LEU 87 3HD2 LEU 87 -5.746 -7.575 -3.617 698 H SER 88 H SER 88 -6.853 -10.415 -7.696 699 HA SER 88 HA SER 88 -7.484 -10.463 -9.840 700 1HB SER 88 1HB SER 88 -10.296 -11.351 -9.091 701 2HB SER 88 2HB SER 88 -9.477 -11.473 -10.646 702 HG SER 88 HG SER 88 -8.690 -12.779 -8.251 703 H GLN 89 H GLN 89 -9.850 -8.953 -7.627 704 HA GLN 89 HA GLN 89 -10.427 -6.828 -9.616 705 1HB GLN 89 1HB GLN 89 -11.782 -7.589 -7.013 706 2HB GLN 89 2HB GLN 89 -12.214 -6.194 -8.015 707 1HG GLN 89 1HG GLN 89 -12.689 -7.726 -9.928 708 2HG GLN 89 2HG GLN 89 -12.313 -9.115 -8.895 709 1HE2 GLN 89 2HE2 GLN 89 -14.458 -6.215 -9.078 710 2HE2 GLN 89 1HE2 GLN 89 -15.820 -6.976 -8.283 711 HA PRO 90 HA PRO 90 -7.528 -4.422 -7.300 712 1HB PRO 90 1HB PRO 90 -8.085 -1.858 -8.116 713 2HB PRO 90 2HB PRO 90 -7.427 -3.093 -9.225 714 1HG PRO 90 1HG PRO 90 -10.334 -2.324 -8.906 715 2HG PRO 90 2HG PRO 90 -9.384 -2.453 -10.415 716 1HD PRO 90 1HD PRO 90 -10.947 -4.502 -9.533 717 2HD PRO 90 2HD PRO 90 -9.364 -4.820 -10.306 718 H LYS 91 H LYS 91 -7.911 -4.578 -5.126 719 HA LYS 91 HA LYS 91 -10.380 -3.487 -3.962 720 1HB LYS 91 1HB LYS 91 -9.478 -5.767 -3.370 721 2HB LYS 91 2HB LYS 91 -8.081 -4.970 -2.641 722 1HG LYS 91 1HG LYS 91 -9.532 -5.439 -0.851 723 2HG LYS 91 2HG LYS 91 -9.734 -3.705 -1.133 724 1HD LYS 91 1HD LYS 91 -11.827 -4.226 -2.460 725 2HD LYS 91 2HD LYS 91 -11.574 -5.947 -2.104 726 1HE LYS 91 1HE LYS 91 -11.731 -5.418 0.343 727 2HE LYS 91 2HE LYS 91 -12.043 -3.720 -0.068 728 1HZ LYS 91 1HZ LYS 91 -14.005 -4.440 -1.239 729 2HZ LYS 91 2HZ LYS 91 -13.714 -6.011 -0.835 730 3HZ LYS 91 3HZ LYS 91 -14.057 -4.908 0.340 731 H ILE 92 H ILE 92 -10.180 -1.241 -3.994 732 HA ILE 92 HA ILE 92 -7.702 0.028 -3.227 733 HB ILE 92 HB ILE 92 -10.378 1.421 -3.409 734 1HG1 ILE 92 1HG1 ILE 92 -10.345 0.193 -5.467 735 2HG1 ILE 92 2HG1 ILE 92 -9.933 1.872 -5.789 736 1HG2 ILE 92 1HG2 ILE 92 -7.483 2.248 -3.908 737 2HG2 ILE 92 2HG2 ILE 92 -8.904 3.289 -4.139 738 3HG2 ILE 92 3HG2 ILE 92 -8.492 2.689 -2.522 739 1HD1 ILE 92 1HD1 ILE 92 -7.533 1.266 -5.963 740 2HD1 ILE 92 2HD1 ILE 92 -7.946 -0.432 -5.619 741 3HD1 ILE 92 3HD1 ILE 92 -8.539 0.346 -7.093 742 H VAL 93 H VAL 93 -7.065 0.404 -1.175 743 HA VAL 93 HA VAL 93 -9.083 0.584 1.033 744 HB VAL 93 HB VAL 93 -6.238 -0.508 1.064 745 1HG1 VAL 93 1HG1 VAL 93 -6.650 0.769 3.129 746 2HG1 VAL 93 2HG1 VAL 93 -8.210 -0.053 3.351 747 3HG1 VAL 93 3HG1 VAL 93 -6.689 -0.961 3.474 748 1HG2 VAL 93 1HG2 VAL 93 -8.961 -1.801 1.559 749 2HG2 VAL 93 2HG2 VAL 93 -7.857 -2.145 0.209 750 3HG2 VAL 93 3HG2 VAL 93 -7.401 -2.582 1.863 751 H LYS 94 H LYS 94 -9.308 2.714 1.522 752 HA LYS 94 HA LYS 94 -7.339 4.631 0.747 753 1HB LYS 94 1HB LYS 94 -8.713 6.271 1.484 754 2HB LYS 94 2HB LYS 94 -9.876 5.005 1.078 755 1HG LYS 94 1HG LYS 94 -10.064 4.438 3.507 756 2HG LYS 94 2HG LYS 94 -8.834 5.652 3.881 757 1HD LYS 94 1HD LYS 94 -10.435 7.332 2.625 758 2HD LYS 94 2HD LYS 94 -11.656 6.095 2.948 759 1HE LYS 94 1HE LYS 94 -11.745 7.623 4.782 760 2HE LYS 94 2HE LYS 94 -10.897 6.199 5.412 761 1HZ LYS 94 1HZ LYS 94 -8.821 7.403 5.008 762 2HZ LYS 94 2HZ LYS 94 -9.667 8.702 4.460 763 3HZ LYS 94 3HZ LYS 94 -9.807 8.228 6.035 764 H TRP 95 H TRP 95 -6.116 6.058 2.159 765 HA TRP 95 HA TRP 95 -5.004 4.740 4.559 766 1HB TRP 95 1HB TRP 95 -3.420 5.907 3.158 767 2HB TRP 95 2HB TRP 95 -4.479 7.295 3.047 768 HD1 TRP 95 HD1 TRP 95 -3.080 5.607 6.253 769 HE1 TRP 95 HE1 TRP 95 -2.127 7.471 7.759 770 HE3 TRP 95 HE3 TRP 95 -3.705 9.558 3.104 771 HZ2 TRP 95 HZ2 TRP 95 -1.991 10.381 7.702 772 HZ3 TRP 95 HZ3 TRP 95 -3.001 11.826 3.785 773 HH2 TRP 95 HH2 TRP 95 -2.294 12.263 6.118 774 H ASP 96 H ASP 96 -5.727 5.158 6.572 775 HA ASP 96 HA ASP 96 -6.789 7.863 7.133 776 1HB ASP 96 1HB ASP 96 -8.662 6.205 7.327 777 2HB ASP 96 2HB ASP 96 -7.702 5.302 8.503 778 H ARG 97 H ARG 97 -5.889 8.727 8.962 779 HA ARG 97 HA ARG 97 -3.412 8.961 9.404 780 1HB ARG 97 1HB ARG 97 -3.767 9.252 11.903 781 2HB ARG 97 2HB ARG 97 -4.741 10.203 10.795 782 1HG ARG 97 1HG ARG 97 -6.122 7.686 11.460 783 2HG ARG 97 2HG ARG 97 -5.681 8.591 12.911 784 1HD ARG 97 1HD ARG 97 -6.854 10.561 12.116 785 2HD ARG 97 2HD ARG 97 -7.102 9.815 10.520 786 HE ARG 97 HE ARG 97 -8.201 8.093 12.464 787 1HH1 ARG 97 1HH2 ARG 97 -8.861 11.215 10.923 788 2HH1 ARG 97 2HH2 ARG 97 -10.595 11.024 10.995 789 1HH2 ARG 97 1HH1 ARG 97 -10.447 7.840 12.537 790 2HH2 ARG 97 2HH1 ARG 97 -11.508 9.094 11.943 791 H ASP 98 H ASP 98 -4.522 6.752 11.926 792 HA ASP 98 HA ASP 98 -1.953 5.505 12.191 793 1HB ASP 98 1HB ASP 98 -3.474 5.833 14.085 794 2HB ASP 98 2HB ASP 98 -4.690 4.790 13.331 795 H MET 99 H MET 99 -5.169 4.281 11.067 796 HA MET 99 HA MET 99 -3.886 2.741 8.990 797 1HB MET 99 1HB MET 99 -3.658 1.134 10.804 798 2HB MET 99 2HB MET 99 -5.368 1.320 11.237 799 1HG MET 99 1HG MET 99 -6.073 0.311 9.148 800 2HG MET 99 2HG MET 99 -4.426 0.347 8.508 801 1HE MET 99 1HE MET 99 -6.827 -1.206 11.150 802 2HE MET 99 2HE MET 99 -5.860 -2.534 11.830 803 3HE MET 99 3HE MET 99 -5.438 -0.852 12.210 Start of MODEL 5 1 1H MET 0 1H MET 0 0.996 -22.799 1.560 2 2H MET 0 2H MET 0 0.484 -21.438 0.789 3 3H MET 0 3H MET 0 -0.591 -22.359 1.632 4 HA MET 0 HA MET 0 0.873 -23.123 -0.770 5 1HB MET 0 1HB MET 0 0.516 -24.967 0.847 6 2HB MET 0 2HB MET 0 -1.230 -24.763 0.721 7 1HG MET 0 1HG MET 0 0.637 -25.364 -1.618 8 2HG MET 0 2HG MET 0 -0.202 -26.595 -0.676 9 1HE MET 0 1HE MET 0 -0.919 -27.582 -3.041 10 2HE MET 0 2HE MET 0 -1.901 -26.682 -4.220 11 3HE MET 0 3HE MET 0 -0.218 -26.196 -3.912 12 H ILE 1 H ILE 1 -2.555 -23.197 0.344 13 HA ILE 1 HA ILE 1 -3.637 -22.420 -2.136 14 HB ILE 1 HB ILE 1 -5.714 -22.128 -1.032 15 1HG1 ILE 1 1HG1 ILE 1 -5.201 -20.815 0.908 16 2HG1 ILE 1 2HG1 ILE 1 -6.064 -22.276 1.365 17 1HG2 ILE 1 1HG2 ILE 1 -4.223 -24.502 0.145 18 2HG2 ILE 1 2HG2 ILE 1 -5.982 -24.305 0.044 19 3HG2 ILE 1 3HG2 ILE 1 -5.015 -24.397 -1.436 20 1HD1 ILE 1 1HD1 ILE 1 -3.863 -23.303 2.057 21 2HD1 ILE 1 2HD1 ILE 1 -3.101 -21.718 1.761 22 3HD1 ILE 1 3HD1 ILE 1 -4.359 -21.878 2.988 23 H GLN 2 H GLN 2 -4.765 -20.442 -2.698 24 HA GLN 2 HA GLN 2 -3.234 -18.149 -2.602 25 1HB GLN 2 1HB GLN 2 -5.086 -16.966 -3.501 26 2HB GLN 2 2HB GLN 2 -4.948 -18.540 -4.266 27 1HG GLN 2 1HG GLN 2 -7.074 -17.607 -2.295 28 2HG GLN 2 2HG GLN 2 -7.267 -18.038 -3.982 29 1HE2 GLN 2 2HE2 GLN 2 -7.794 -19.186 -0.902 30 2HE2 GLN 2 1HE2 GLN 2 -7.845 -20.900 -1.262 31 H ARG 3 H ARG 3 -2.579 -17.024 -0.886 32 HA ARG 3 HA ARG 3 -4.297 -16.657 1.487 33 1HB ARG 3 1HB ARG 3 -1.434 -15.961 0.836 34 2HB ARG 3 2HB ARG 3 -2.271 -15.382 2.290 35 1HG ARG 3 1HG ARG 3 -2.744 -17.755 2.928 36 2HG ARG 3 2HG ARG 3 -1.870 -18.298 1.487 37 1HD ARG 3 1HD ARG 3 -0.439 -18.483 3.430 38 2HD ARG 3 2HD ARG 3 0.202 -17.240 2.340 39 HE ARG 3 HE ARG 3 -1.462 -15.909 4.158 40 1HH1 ARG 3 1HH2 ARG 3 1.516 -17.851 4.360 41 2HH1 ARG 3 2HH2 ARG 3 2.150 -16.956 5.709 42 1HH2 ARG 3 1HH1 ARG 3 -0.596 -14.729 5.910 43 2HH2 ARG 3 2HH1 ARG 3 0.940 -15.182 6.604 44 H THR 4 H THR 4 -5.424 -14.818 1.919 45 HA THR 4 HA THR 4 -5.731 -12.793 -0.086 46 HB THR 4 HB THR 4 -7.229 -11.845 1.754 47 HG1 THR 4 HG1 THR 4 -6.022 -12.863 3.459 48 1HG2 THR 4 1HG2 THR 4 -7.689 -14.766 0.991 49 2HG2 THR 4 2HG2 THR 4 -8.920 -13.621 1.558 50 3HG2 THR 4 3HG2 THR 4 -8.119 -13.355 -0.002 51 HA PRO 5 HA PRO 5 -2.538 -10.143 1.491 52 1HB PRO 5 1HB PRO 5 -3.340 -7.670 0.576 53 2HB PRO 5 2HB PRO 5 -2.722 -8.962 -0.494 54 1HG PRO 5 1HG PRO 5 -5.594 -8.229 0.096 55 2HG PRO 5 2HG PRO 5 -4.828 -8.534 -1.490 56 1HD PRO 5 1HD PRO 5 -6.257 -10.458 -0.145 57 2HD PRO 5 2HD PRO 5 -4.813 -10.874 -1.120 58 H LYS 6 H LYS 6 -2.271 -9.716 3.610 59 HA LYS 6 HA LYS 6 -4.356 -8.400 5.221 60 1HB LYS 6 1HB LYS 6 -2.930 -10.284 6.086 61 2HB LYS 6 2HB LYS 6 -1.531 -9.198 5.983 62 1HG LYS 6 1HG LYS 6 -2.911 -7.543 7.381 63 2HG LYS 6 2HG LYS 6 -4.068 -8.859 7.630 64 1HD LYS 6 1HD LYS 6 -2.366 -10.227 8.730 65 2HD LYS 6 2HD LYS 6 -1.093 -9.078 8.286 66 1HE LYS 6 1HE LYS 6 -1.689 -8.828 10.647 67 2HE LYS 6 2HE LYS 6 -2.040 -7.354 9.731 68 1HZ LYS 6 1HZ LYS 6 -4.336 -8.024 9.665 69 2HZ LYS 6 2HZ LYS 6 -4.003 -9.393 10.525 70 3HZ LYS 6 3HZ LYS 6 -3.804 -7.911 11.219 71 H ILE 7 H ILE 7 -4.572 -6.312 4.495 72 HA ILE 7 HA ILE 7 -2.248 -4.623 3.920 73 HB ILE 7 HB ILE 7 -3.872 -2.888 3.483 74 1HG1 ILE 7 1HG1 ILE 7 -6.025 -4.890 4.307 75 2HG1 ILE 7 2HG1 ILE 7 -5.620 -3.366 5.115 76 1HG2 ILE 7 1HG2 ILE 7 -4.643 -5.500 2.123 77 2HG2 ILE 7 2HG2 ILE 7 -4.846 -3.857 1.478 78 3HG2 ILE 7 3HG2 ILE 7 -3.233 -4.490 1.729 79 1HD1 ILE 7 1HD1 ILE 7 -6.235 -2.141 3.014 80 2HD1 ILE 7 2HD1 ILE 7 -6.880 -3.680 2.381 81 3HD1 ILE 7 3HD1 ILE 7 -7.570 -2.969 3.844 82 H GLN 8 H GLN 8 -1.218 -3.269 5.404 83 HA GLN 8 HA GLN 8 -2.797 -2.251 7.667 84 1HB GLN 8 1HB GLN 8 -0.572 -2.242 8.850 85 2HB GLN 8 2HB GLN 8 -1.495 -3.746 8.866 86 1HG GLN 8 1HG GLN 8 0.606 -3.385 6.748 87 2HG GLN 8 2HG GLN 8 1.153 -3.610 8.408 88 1HE2 GLN 8 2HE2 GLN 8 2.208 -5.526 7.472 89 2HE2 GLN 8 1HE2 GLN 8 1.289 -7.005 7.313 90 H VAL 9 H VAL 9 -3.237 -0.517 6.310 91 HA VAL 9 HA VAL 9 -1.069 0.948 4.994 92 HB VAL 9 HB VAL 9 -4.059 1.478 5.173 93 1HG1 VAL 9 1HG1 VAL 9 -1.840 2.740 3.513 94 2HG1 VAL 9 2HG1 VAL 9 -3.589 2.961 3.209 95 3HG1 VAL 9 3HG1 VAL 9 -2.864 3.538 4.707 96 1HG2 VAL 9 1HG2 VAL 9 -3.635 -0.611 3.989 97 2HG2 VAL 9 2HG2 VAL 9 -4.049 0.639 2.813 98 3HG2 VAL 9 3HG2 VAL 9 -2.353 0.146 3.021 99 H TYR 10 H TYR 10 0.199 1.967 6.472 100 HA TYR 10 HA TYR 10 -1.128 3.709 8.541 101 1HB TYR 10 1HB TYR 10 0.785 3.382 9.917 102 2HB TYR 10 2HB TYR 10 -0.034 1.882 9.529 103 HD1 TYR 10 HD1 TYR 10 3.013 3.940 8.863 104 HD2 TYR 10 HD2 TYR 10 1.144 0.070 8.542 105 HE1 TYR 10 HE1 TYR 10 5.192 2.928 8.250 106 HE2 TYR 10 HE2 TYR 10 3.315 -0.932 7.924 107 HH TYR 10 HH TYR 10 6.324 1.022 7.709 108 H SER 11 H SER 11 -0.150 5.724 9.044 109 HA SER 11 HA SER 11 1.698 6.868 7.025 110 1HB SER 11 1HB SER 11 1.023 9.055 8.137 111 2HB SER 11 2HB SER 11 -0.137 8.242 7.085 112 HG SER 11 HG SER 11 -0.048 8.022 9.921 113 H ARG 12 H ARG 12 3.844 7.032 7.750 114 HA ARG 12 HA ARG 12 4.601 6.264 10.430 115 1HB ARG 12 1HB ARG 12 6.169 7.697 8.250 116 2HB ARG 12 2HB ARG 12 6.851 7.133 9.773 117 1HG ARG 12 1HG ARG 12 6.483 4.831 9.201 118 2HG ARG 12 2HG ARG 12 5.561 5.278 7.744 119 1HD ARG 12 1HD ARG 12 7.519 6.378 6.784 120 2HD ARG 12 2HD ARG 12 8.469 6.078 8.251 121 HE ARG 12 HE ARG 12 7.743 3.564 7.492 122 1HH1 ARG 12 1HH2 ARG 12 9.272 6.253 5.715 123 2HH1 ARG 12 2HH2 ARG 12 10.250 5.202 4.730 124 1HH2 ARG 12 1HH1 ARG 12 9.080 2.210 6.199 125 2HH2 ARG 12 2HH1 ARG 12 10.140 2.909 5.001 126 H HIS 13 H HIS 13 4.973 9.378 8.702 127 HA HIS 13 HA HIS 13 5.715 10.786 11.099 128 1HB HIS 13 1HB HIS 13 5.295 11.498 8.179 129 2HB HIS 13 2HB HIS 13 5.707 12.719 9.384 130 HD2 HIS 13 HD2 HIS 13 8.134 13.219 8.205 131 HE1 HIS 13 HE1 HIS 13 9.818 9.433 9.062 132 HE2 HIS 13 HE2 HIS 13 10.337 11.805 8.263 133 HA PRO 14 HA PRO 14 1.765 12.508 12.197 134 1HB PRO 14 1HB PRO 14 2.333 15.010 13.127 135 2HB PRO 14 2HB PRO 14 2.843 13.516 13.961 136 1HG PRO 14 1HG PRO 14 4.495 15.231 12.091 137 2HG PRO 14 2HG PRO 14 4.953 14.601 13.698 138 1HD PRO 14 1HD PRO 14 5.694 13.374 11.403 139 2HD PRO 14 2HD PRO 14 5.273 12.410 12.830 140 H ALA 15 H ALA 15 0.523 12.648 10.388 141 HA ALA 15 HA ALA 15 0.901 14.005 8.031 142 1HB ALA 15 1HB ALA 15 -1.755 13.448 9.396 143 2HB ALA 15 2HB ALA 15 -1.487 13.706 7.657 144 3HB ALA 15 3HB ALA 15 -0.808 12.276 8.463 145 H GLU 16 H GLU 16 1.050 16.068 7.461 146 HA GLU 16 HA GLU 16 -0.445 18.176 8.913 147 1HB GLU 16 1HB GLU 16 1.586 19.562 8.996 148 2HB GLU 16 2HB GLU 16 1.696 18.113 10.003 149 1HG GLU 16 1HG GLU 16 3.089 16.999 8.267 150 2HG GLU 16 2HG GLU 16 3.005 18.460 7.271 151 H ASN 17 H ASN 17 -1.319 19.645 7.589 152 HA ASN 17 HA ASN 17 -1.183 19.142 4.738 153 1HB ASN 17 1HB ASN 17 -3.051 20.740 4.660 154 2HB ASN 17 2HB ASN 17 -3.334 19.363 5.716 155 1HD2 ASN 17 2HD2 ASN 17 -3.316 19.686 8.058 156 2HD2 ASN 17 1HD2 ASN 17 -3.603 21.283 8.713 157 H GLY 18 H GLY 18 1.130 19.747 4.682 158 1HA GLY 18 1HA GLY 18 1.420 22.228 3.309 159 2HA GLY 18 2HA GLY 18 2.040 22.409 4.962 160 H LYS 19 H LYS 19 3.165 19.920 5.460 161 HA LYS 19 HA LYS 19 5.571 20.061 3.686 162 1HB LYS 19 1HB LYS 19 5.709 20.783 6.041 163 2HB LYS 19 2HB LYS 19 5.421 19.071 6.473 164 1HG LYS 19 1HG LYS 19 7.435 18.377 5.270 165 2HG LYS 19 2HG LYS 19 7.617 20.001 4.576 166 1HD LYS 19 1HD LYS 19 9.172 19.798 6.277 167 2HD LYS 19 2HD LYS 19 7.931 20.926 6.855 168 1HE LYS 19 1HE LYS 19 6.880 19.065 8.175 169 2HE LYS 19 2HE LYS 19 8.160 17.967 7.633 170 1HZ LYS 19 1HZ LYS 19 8.527 20.414 9.214 171 2HZ LYS 19 2HZ LYS 19 8.533 18.878 9.808 172 3HZ LYS 19 3HZ LYS 19 9.723 19.364 8.771 173 H SER 20 H SER 20 6.150 18.328 2.699 174 HA SER 20 HA SER 20 4.996 15.977 2.256 175 1HB SER 20 1HB SER 20 7.194 14.941 1.757 176 2HB SER 20 2HB SER 20 6.798 16.478 0.993 177 HG SER 20 HG SER 20 8.104 17.497 2.625 178 H ASN 21 H ASN 21 4.552 14.166 3.342 179 HA ASN 21 HA ASN 21 5.622 13.707 6.093 180 1HB ASN 21 1HB ASN 21 3.187 14.447 5.541 181 2HB ASN 21 2HB ASN 21 2.937 12.770 5.090 182 1HD2 ASN 21 2HD2 ASN 21 2.267 11.479 6.818 183 2HD2 ASN 21 1HD2 ASN 21 2.520 11.851 8.502 184 H PHE 22 H PHE 22 4.010 10.985 5.847 185 HA PHE 22 HA PHE 22 5.496 9.525 3.828 186 1HB PHE 22 1HB PHE 22 6.434 9.527 6.631 187 2HB PHE 22 2HB PHE 22 6.063 7.924 6.004 188 HD1 PHE 22 HD1 PHE 22 7.033 7.132 3.808 189 HD2 PHE 22 HD2 PHE 22 8.519 10.568 5.947 190 HE1 PHE 22 HE1 PHE 22 9.122 7.078 2.464 191 HE2 PHE 22 HE2 PHE 22 10.625 10.467 4.639 192 HZ PHE 22 HZ PHE 22 10.858 8.815 2.808 193 H LEU 23 H LEU 23 3.976 8.347 2.965 194 HA LEU 23 HA LEU 23 1.940 6.986 4.650 195 1HB LEU 23 1HB LEU 23 0.992 8.512 3.026 196 2HB LEU 23 2HB LEU 23 1.932 7.777 1.723 197 HG LEU 23 HG LEU 23 0.567 5.688 2.065 198 1HD1 LEU 23 1HD1 LEU 23 -0.811 7.459 4.136 199 2HD1 LEU 23 2HD1 LEU 23 -1.431 5.900 3.524 200 3HD1 LEU 23 3HD1 LEU 23 0.044 5.945 4.481 201 1HD2 LEU 23 1HD2 LEU 23 -0.138 7.493 0.476 202 2HD2 LEU 23 2HD2 LEU 23 -1.543 6.684 1.203 203 3HD2 LEU 23 3HD2 LEU 23 -1.029 8.282 1.786 204 H ASN 24 H ASN 24 1.877 4.786 4.653 205 HA ASN 24 HA ASN 24 3.772 3.279 2.914 206 1HB ASN 24 1HB ASN 24 3.444 3.317 5.909 207 2HB ASN 24 2HB ASN 24 4.189 1.960 5.054 208 1HD2 ASN 24 2HD2 ASN 24 6.329 2.065 4.575 209 2HD2 ASN 24 1HD2 ASN 24 7.297 3.524 4.591 210 H CYS 25 H CYS 25 2.376 2.230 1.625 211 HA CYS 25 HA CYS 25 0.101 0.752 2.769 212 1HB CYS 25 1HB CYS 25 1.277 0.646 -0.041 213 2HB CYS 25 2HB CYS 25 -0.277 -0.002 0.478 214 H TYR 26 H TYR 26 1.309 -0.559 4.274 215 HA TYR 26 HA TYR 26 3.280 -2.502 3.212 216 1HB TYR 26 1HB TYR 26 3.494 -1.304 5.385 217 2HB TYR 26 2HB TYR 26 2.112 -2.137 5.997 218 HD1 TYR 26 HD1 TYR 26 5.179 -1.984 6.831 219 HD2 TYR 26 HD2 TYR 26 2.707 -5.029 5.029 220 HE1 TYR 26 HE1 TYR 26 6.613 -3.743 7.794 221 HE2 TYR 26 HE2 TYR 26 4.221 -6.754 5.886 222 HH TYR 26 HH TYR 26 6.120 -7.217 7.101 223 H VAL 27 H VAL 27 2.480 -4.390 2.288 224 HA VAL 27 HA VAL 27 -0.169 -5.413 3.227 225 HB VAL 27 HB VAL 27 0.978 -5.745 0.416 226 1HG1 VAL 27 1HG1 VAL 27 -1.809 -6.185 1.589 227 2HG1 VAL 27 2HG1 VAL 27 -1.311 -6.504 -0.091 228 3HG1 VAL 27 3HG1 VAL 27 -0.663 -7.466 1.243 229 1HG2 VAL 27 1HG2 VAL 27 -1.032 -3.729 1.441 230 2HG2 VAL 27 2HG2 VAL 27 0.510 -3.409 0.606 231 3HG2 VAL 27 3HG2 VAL 27 -0.827 -4.167 -0.278 232 H SER 28 H SER 28 -0.084 -7.730 3.683 233 HA SER 28 HA SER 28 2.222 -9.105 2.704 234 1HB SER 28 1HB SER 28 3.617 -8.645 4.490 235 2HB SER 28 2HB SER 28 2.338 -7.867 5.351 236 HG SER 28 HG SER 28 2.920 -10.606 5.438 237 H GLY 29 H GLY 29 2.509 -11.327 3.345 238 1HA GLY 29 1HA GLY 29 1.748 -13.349 4.207 239 2HA GLY 29 2HA GLY 29 0.107 -12.714 4.368 240 H PHE 30 H PHE 30 0.567 -11.604 1.463 241 HA PHE 30 HA PHE 30 -0.937 -13.847 0.346 242 1HB PHE 30 1HB PHE 30 -1.668 -12.336 -1.342 243 2HB PHE 30 2HB PHE 30 -1.896 -11.673 0.249 244 HD1 PHE 30 HD1 PHE 30 -0.072 -11.468 -2.907 245 HD2 PHE 30 HD2 PHE 30 -0.356 -9.716 1.016 246 HE1 PHE 30 HE1 PHE 30 1.823 -10.031 -3.430 247 HE2 PHE 30 HE2 PHE 30 1.550 -8.244 0.467 248 HZ PHE 30 HZ PHE 30 2.650 -8.435 -1.725 249 H HIS 31 H HIS 31 -0.297 -15.077 -1.378 250 HA HIS 31 HA HIS 31 2.102 -14.391 -2.980 251 1HB HIS 31 1HB HIS 31 3.075 -16.479 -2.759 252 2HB HIS 31 2HB HIS 31 2.717 -15.961 -1.115 253 HD2 HIS 31 HD2 HIS 31 1.384 -18.370 -3.852 254 HE1 HIS 31 HE1 HIS 31 -0.156 -19.632 -0.099 255 HE2 HIS 31 HE2 HIS 31 -0.011 -20.251 -2.575 256 HA PRO 32 HA PRO 32 2.928 -15.773 -4.941 257 1HB PRO 32 1HB PRO 32 2.898 -15.346 -7.639 258 2HB PRO 32 2HB PRO 32 2.409 -16.895 -6.915 259 1HG PRO 32 1HG PRO 32 0.610 -14.584 -7.694 260 2HG PRO 32 2HG PRO 32 0.478 -16.286 -8.235 261 1HD PRO 32 1HD PRO 32 -0.967 -15.381 -6.118 262 2HD PRO 32 2HD PRO 32 -0.224 -17.002 -6.070 263 H SER 33 H SER 33 4.115 -14.043 -6.673 264 HA SER 33 HA SER 33 4.091 -11.618 -5.145 265 1HB SER 33 1HB SER 33 6.093 -11.142 -6.425 266 2HB SER 33 2HB SER 33 6.092 -12.871 -6.018 267 HG SER 33 HG SER 33 6.611 -12.459 -8.219 268 H ASP 34 H ASP 34 2.156 -12.508 -7.788 269 HA ASP 34 HA ASP 34 2.447 -10.170 -9.441 270 1HB ASP 34 1HB ASP 34 1.948 -12.388 -10.329 271 2HB ASP 34 2HB ASP 34 0.427 -12.440 -9.433 272 H ILE 35 H ILE 35 2.054 -8.613 -7.648 273 HA ILE 35 HA ILE 35 -0.827 -7.869 -7.548 274 HB ILE 35 HB ILE 35 -0.222 -8.791 -5.500 275 1HG1 ILE 35 1HG1 ILE 35 -0.224 -5.823 -4.980 276 2HG1 ILE 35 2HG1 ILE 35 -1.655 -6.743 -5.454 277 1HG2 ILE 35 1HG2 ILE 35 2.059 -8.786 -5.402 278 2HG2 ILE 35 2HG2 ILE 35 2.171 -7.018 -5.599 279 3HG2 ILE 35 3HG2 ILE 35 1.572 -7.729 -4.083 280 1HD1 ILE 35 1HD1 ILE 35 -1.125 -8.308 -3.476 281 2HD1 ILE 35 2HD1 ILE 35 -0.037 -7.028 -2.906 282 3HD1 ILE 35 3HD1 ILE 35 -1.758 -6.688 -3.111 283 H GLU 36 H GLU 36 -1.253 -5.622 -7.252 284 HA GLU 36 HA GLU 36 0.853 -3.712 -8.117 285 1HB GLU 36 1HB GLU 36 -2.022 -3.191 -8.776 286 2HB GLU 36 2HB GLU 36 -0.540 -2.657 -9.547 287 1HG GLU 36 1HG GLU 36 -0.143 -5.001 -10.338 288 2HG GLU 36 2HG GLU 36 -1.692 -5.469 -9.659 289 H VAL 37 H VAL 37 1.133 -2.041 -6.693 290 HA VAL 37 HA VAL 37 -1.123 -1.012 -5.135 291 HB VAL 37 HB VAL 37 1.471 -1.835 -3.814 292 1HG1 VAL 37 1HG1 VAL 37 0.552 0.236 -2.778 293 2HG1 VAL 37 2HG1 VAL 37 -0.982 -0.599 -2.503 294 3HG1 VAL 37 3HG1 VAL 37 0.485 -1.158 -1.698 295 1HG2 VAL 37 1HG2 VAL 37 -1.354 -2.951 -3.488 296 2HG2 VAL 37 2HG2 VAL 37 0.036 -3.792 -4.173 297 3HG2 VAL 37 3HG2 VAL 37 0.019 -3.376 -2.461 298 H ASP 38 H ASP 38 -0.907 0.470 -6.851 299 HA ASP 38 HA ASP 38 1.288 2.439 -6.683 300 1HB ASP 38 1HB ASP 38 -1.283 2.524 -8.328 301 2HB ASP 38 2HB ASP 38 0.146 3.543 -8.483 302 H LEU 39 H LEU 39 1.049 4.323 -5.447 303 HA LEU 39 HA LEU 39 -1.331 4.482 -3.735 304 1HB LEU 39 1HB LEU 39 1.155 6.224 -3.820 305 2HB LEU 39 2HB LEU 39 -0.219 6.393 -2.717 306 HG LEU 39 HG LEU 39 0.328 3.733 -2.358 307 1HD1 LEU 39 1HD1 LEU 39 3.029 5.064 -2.797 308 2HD1 LEU 39 2HD1 LEU 39 2.750 3.448 -2.119 309 3HD1 LEU 39 3HD1 LEU 39 2.333 3.774 -3.803 310 1HD2 LEU 39 1HD2 LEU 39 -0.019 5.240 -0.548 311 2HD2 LEU 39 2HD2 LEU 39 1.588 4.522 -0.288 312 3HD2 LEU 39 3HD2 LEU 39 1.436 6.163 -0.938 313 H LEU 40 H LEU 40 -2.891 6.025 -3.830 314 HA LEU 40 HA LEU 40 -3.178 7.423 -6.445 315 1HB LEU 40 1HB LEU 40 -3.817 4.885 -6.244 316 2HB LEU 40 2HB LEU 40 -5.172 5.464 -5.294 317 HG LEU 40 HG LEU 40 -5.830 5.034 -7.554 318 1HD1 LEU 40 1HD1 LEU 40 -5.720 8.066 -7.273 319 2HD1 LEU 40 2HD1 LEU 40 -6.877 7.108 -8.205 320 3HD1 LEU 40 3HD1 LEU 40 -6.880 7.004 -6.435 321 1HD2 LEU 40 1HD2 LEU 40 -3.835 7.093 -8.547 322 2HD2 LEU 40 2HD2 LEU 40 -3.536 5.340 -8.557 323 3HD2 LEU 40 3HD2 LEU 40 -4.868 6.028 -9.507 324 H LYS 41 H LYS 41 -3.809 9.549 -5.908 325 HA LYS 41 HA LYS 41 -5.105 9.999 -3.373 326 1HB LYS 41 1HB LYS 41 -4.409 11.829 -5.653 327 2HB LYS 41 2HB LYS 41 -4.772 12.373 -3.993 328 1HG LYS 41 1HG LYS 41 -2.830 11.793 -3.143 329 2HG LYS 41 2HG LYS 41 -2.589 10.382 -4.158 330 1HD LYS 41 1HD LYS 41 -0.991 12.073 -4.782 331 2HD LYS 41 2HD LYS 41 -2.080 11.741 -6.102 332 1HE LYS 41 1HE LYS 41 -1.684 14.147 -5.905 333 2HE LYS 41 2HE LYS 41 -3.388 13.770 -5.647 334 1HZ LYS 41 1HZ LYS 41 -2.971 13.914 -3.277 335 2HZ LYS 41 2HZ LYS 41 -1.420 14.392 -3.552 336 3HZ LYS 41 3HZ LYS 41 -2.694 15.329 -4.044 337 H ASN 42 H ASN 42 -6.496 12.349 -4.666 338 HA ASN 42 HA ASN 42 -9.193 11.397 -4.870 339 1HB ASN 42 1HB ASN 42 -9.425 13.814 -5.922 340 2HB ASN 42 2HB ASN 42 -9.016 13.627 -4.217 341 1HD2 ASN 42 2HD2 ASN 42 -7.264 13.943 -7.386 342 2HD2 ASN 42 1HD2 ASN 42 -5.978 14.920 -6.709 343 H GLY 43 H GLY 43 -6.634 12.039 -7.263 344 1HA GLY 43 1HA GLY 43 -7.709 10.196 -9.127 345 2HA GLY 43 2HA GLY 43 -8.232 11.828 -9.597 346 H GLU 44 H GLU 44 -5.194 10.795 -8.023 347 HA GLU 44 HA GLU 44 -3.618 11.278 -10.481 348 1HB GLU 44 1HB GLU 44 -3.713 13.433 -9.317 349 2HB GLU 44 2HB GLU 44 -3.211 12.671 -7.809 350 1HG GLU 44 1HG GLU 44 -1.040 12.001 -8.937 351 2HG GLU 44 2HG GLU 44 -1.565 12.908 -10.367 352 H ARG 45 H ARG 45 -2.113 9.749 -10.686 353 HA ARG 45 HA ARG 45 -1.676 7.779 -8.519 354 1HB ARG 45 1HB ARG 45 -2.399 6.885 -10.631 355 2HB ARG 45 2HB ARG 45 -1.143 7.772 -11.512 356 1HG ARG 45 1HG ARG 45 0.609 6.472 -10.555 357 2HG ARG 45 2HG ARG 45 -0.470 5.738 -9.350 358 1HD ARG 45 1HD ARG 45 -1.592 4.428 -10.974 359 2HD ARG 45 2HD ARG 45 -0.940 5.348 -12.332 360 HE ARG 45 HE ARG 45 0.408 3.253 -10.743 361 1HH1 ARG 45 1HH2 ARG 45 0.871 5.843 -13.141 362 2HH1 ARG 45 2HH2 ARG 45 2.497 5.331 -13.517 363 1HH2 ARG 45 1HH1 ARG 45 2.457 2.601 -11.268 364 2HH2 ARG 45 2HH1 ARG 45 3.394 3.436 -12.500 365 H ILE 46 H ILE 46 0.227 7.591 -7.445 366 HA ILE 46 HA ILE 46 2.248 9.652 -7.781 367 HB ILE 46 HB ILE 46 1.472 7.548 -5.740 368 1HG1 ILE 46 1HG1 ILE 46 1.426 10.579 -5.445 369 2HG1 ILE 46 2HG1 ILE 46 0.059 9.729 -6.166 370 1HG2 ILE 46 1HG2 ILE 46 3.841 7.807 -5.591 371 2HG2 ILE 46 2HG2 ILE 46 3.701 9.586 -5.693 372 3HG2 ILE 46 3HG2 ILE 46 3.086 8.706 -4.264 373 1HD1 ILE 46 1HD1 ILE 46 1.071 9.330 -3.333 374 2HD1 ILE 46 2HD1 ILE 46 -0.448 10.035 -3.918 375 3HD1 ILE 46 3HD1 ILE 46 -0.174 8.327 -4.115 376 H GLU 47 H GLU 47 3.959 9.194 -9.053 377 HA GLU 47 HA GLU 47 4.991 6.389 -9.256 378 1HB GLU 47 1HB GLU 47 5.284 8.735 -11.168 379 2HB GLU 47 2HB GLU 47 6.069 7.154 -11.336 380 1HG GLU 47 1HG GLU 47 3.824 6.062 -11.337 381 2HG GLU 47 2HG GLU 47 3.070 7.667 -11.376 382 H LYS 48 H LYS 48 5.471 7.911 -6.948 383 HA LYS 48 HA LYS 48 8.410 7.672 -7.043 384 1HB LYS 48 1HB LYS 48 7.006 9.928 -5.535 385 2HB LYS 48 2HB LYS 48 8.716 9.470 -5.425 386 1HG LYS 48 1HG LYS 48 8.876 9.881 -7.945 387 2HG LYS 48 2HG LYS 48 7.267 10.628 -7.834 388 1HD LYS 48 1HD LYS 48 8.162 12.224 -6.132 389 2HD LYS 48 2HD LYS 48 9.761 11.462 -6.280 390 1HE LYS 48 1HE LYS 48 9.809 12.074 -8.703 391 2HE LYS 48 2HE LYS 48 8.247 12.895 -8.511 392 1HZ LYS 48 1HZ LYS 48 10.740 13.578 -7.114 393 2HZ LYS 48 2HZ LYS 48 10.069 14.416 -8.364 394 3HZ LYS 48 3HZ LYS 48 9.294 14.341 -6.912 395 H VAL 49 H VAL 49 7.143 5.596 -6.659 396 HA VAL 49 HA VAL 49 6.411 5.192 -3.814 397 HB VAL 49 HB VAL 49 6.275 3.230 -6.141 398 1HG1 VAL 49 1HG1 VAL 49 6.361 2.222 -3.853 399 2HG1 VAL 49 2HG1 VAL 49 4.999 3.247 -3.367 400 3HG1 VAL 49 3HG1 VAL 49 4.777 2.003 -4.617 401 1HG2 VAL 49 1HG2 VAL 49 4.159 5.102 -4.997 402 2HG2 VAL 49 2HG2 VAL 49 4.774 5.051 -6.662 403 3HG2 VAL 49 3HG2 VAL 49 3.805 3.708 -6.043 404 H GLU 50 H GLU 50 8.241 5.076 -2.640 405 HA GLU 50 HA GLU 50 10.741 3.907 -3.648 406 1HB GLU 50 1HB GLU 50 10.590 6.011 -2.244 407 2HB GLU 50 2HB GLU 50 10.053 4.991 -0.895 408 1HG GLU 50 1HG GLU 50 12.172 3.711 -1.026 409 2HG GLU 50 2HG GLU 50 12.696 4.742 -2.370 410 H HIS 51 H HIS 51 9.363 1.807 -3.983 411 HA HIS 51 HA HIS 51 8.376 0.513 -1.649 412 1HB HIS 51 1HB HIS 51 7.558 -1.073 -3.029 413 2HB HIS 51 2HB HIS 51 7.856 0.155 -4.249 414 HD2 HIS 51 HD2 HIS 51 10.663 -0.344 -5.424 415 HE1 HIS 51 HE1 HIS 51 10.015 -4.510 -5.038 416 HE2 HIS 51 HE2 HIS 51 11.474 -2.729 -6.145 417 H SER 52 H SER 52 9.125 -1.792 -1.046 418 HA SER 52 HA SER 52 11.902 -1.735 -0.212 419 1HB SER 52 1HB SER 52 11.385 -3.881 0.835 420 2HB SER 52 2HB SER 52 10.129 -2.687 1.173 421 HG SER 52 HG SER 52 9.346 -4.788 0.541 422 H ASP 53 H ASP 53 11.812 -4.877 -0.897 423 HA ASP 53 HA ASP 53 12.194 -4.890 -3.763 424 1HB ASP 53 1HB ASP 53 14.404 -3.984 -2.945 425 2HB ASP 53 2HB ASP 53 14.626 -5.468 -2.009 426 H LEU 54 H LEU 54 10.363 -6.045 -2.093 427 HA LEU 54 HA LEU 54 9.323 -7.910 -1.569 428 1HB LEU 54 1HB LEU 54 10.346 -8.693 -3.862 429 2HB LEU 54 2HB LEU 54 11.400 -9.694 -2.863 430 HG LEU 54 HG LEU 54 9.520 -11.034 -3.538 431 1HD1 LEU 54 1HD1 LEU 54 10.268 -11.307 -1.200 432 2HD1 LEU 54 2HD1 LEU 54 8.857 -10.359 -0.699 433 3HD1 LEU 54 3HD1 LEU 54 8.615 -11.844 -1.586 434 1HD2 LEU 54 1HD2 LEU 54 7.975 -8.576 -3.182 435 2HD2 LEU 54 2HD2 LEU 54 7.699 -9.973 -4.197 436 3HD2 LEU 54 3HD2 LEU 54 7.185 -10.001 -2.489 437 H SER 55 H SER 55 9.228 -8.528 0.462 438 HA SER 55 HA SER 55 11.636 -9.647 1.829 439 1HB SER 55 1HB SER 55 11.339 -7.288 2.552 440 2HB SER 55 2HB SER 55 9.671 -7.644 3.023 441 HG SER 55 HG SER 55 12.055 -8.776 4.075 442 H PHE 56 H PHE 56 10.528 -11.638 0.995 443 HA PHE 56 HA PHE 56 7.901 -12.250 1.951 444 1HB PHE 56 1HB PHE 56 8.594 -14.638 1.195 445 2HB PHE 56 2HB PHE 56 8.462 -13.348 0.017 446 HD1 PHE 56 HD1 PHE 56 9.971 -13.733 -1.748 447 HD2 PHE 56 HD2 PHE 56 11.194 -14.405 2.316 448 HE1 PHE 56 HE1 PHE 56 12.264 -14.205 -2.520 449 HE2 PHE 56 HE2 PHE 56 13.532 -14.821 1.549 450 HZ PHE 56 HZ PHE 56 14.064 -14.708 -0.881 451 H SER 57 H SER 57 10.442 -11.824 3.898 452 HA SER 57 HA SER 57 11.001 -12.370 5.969 453 1HB SER 57 1HB SER 57 9.215 -12.373 7.551 454 2HB SER 57 2HB SER 57 8.924 -11.228 6.239 455 HG SER 57 HG SER 57 7.849 -13.852 6.481 456 H LYS 58 H LYS 58 11.679 -14.565 4.585 457 HA LYS 58 HA LYS 58 10.045 -16.419 3.867 458 1HB LYS 58 1HB LYS 58 12.598 -16.047 3.438 459 2HB LYS 58 2HB LYS 58 12.828 -17.315 4.637 460 1HG LYS 58 1HG LYS 58 10.975 -18.529 3.060 461 2HG LYS 58 2HG LYS 58 11.627 -17.412 1.863 462 1HD LYS 58 1HD LYS 58 13.246 -19.436 3.503 463 2HD LYS 58 2HD LYS 58 12.645 -19.681 1.863 464 1HE LYS 58 1HE LYS 58 14.907 -19.105 1.593 465 2HE LYS 58 2HE LYS 58 13.990 -17.669 1.113 466 1HZ LYS 58 1HZ LYS 58 15.339 -18.109 3.696 467 2HZ LYS 58 2HZ LYS 58 15.861 -17.133 2.477 468 3HZ LYS 58 3HZ LYS 58 14.485 -16.760 3.297 469 H ASP 59 H ASP 59 8.784 -16.463 6.176 470 HA ASP 59 HA ASP 59 9.217 -19.142 7.353 471 1HB ASP 59 1HB ASP 59 7.550 -16.788 8.246 472 2HB ASP 59 2HB ASP 59 7.798 -18.305 9.124 473 H TRP 60 H TRP 60 8.220 -19.238 4.750 474 HA TRP 60 HA TRP 60 6.550 -19.790 3.365 475 1HB TRP 60 1HB TRP 60 4.984 -20.697 5.802 476 2HB TRP 60 2HB TRP 60 4.712 -21.145 4.126 477 HD1 TRP 60 HD1 TRP 60 7.169 -21.701 7.003 478 HE1 TRP 60 HE1 TRP 60 8.423 -23.934 6.651 479 HE3 TRP 60 HE3 TRP 60 5.465 -22.880 2.323 480 HZ2 TRP 60 HZ2 TRP 60 8.616 -25.956 4.648 481 HZ3 TRP 60 HZ3 TRP 60 6.191 -24.977 1.227 482 HH2 TRP 60 HH2 TRP 60 7.755 -26.526 2.380 483 H SER 61 H SER 61 6.708 -17.226 3.613 484 HA SER 61 HA SER 61 3.934 -16.212 3.516 485 1HB SER 61 1HB SER 61 4.869 -15.727 5.828 486 2HB SER 61 2HB SER 61 6.175 -14.818 5.047 487 HG SER 61 HG SER 61 4.492 -13.449 5.663 488 H PHE 62 H PHE 62 4.194 -13.760 2.627 489 HA PHE 62 HA PHE 62 6.433 -13.337 0.879 490 1HB PHE 62 1HB PHE 62 4.959 -15.208 -0.207 491 2HB PHE 62 2HB PHE 62 3.850 -13.911 -0.546 492 HD1 PHE 62 HD1 PHE 62 4.645 -11.970 -2.160 493 HD2 PHE 62 HD2 PHE 62 7.104 -15.442 -1.263 494 HE1 PHE 62 HE1 PHE 62 6.107 -11.446 -3.969 495 HE2 PHE 62 HE2 PHE 62 8.538 -14.915 -3.127 496 HZ PHE 62 HZ PHE 62 8.165 -12.830 -4.424 497 H TYR 63 H TYR 63 6.511 -11.051 0.467 498 HA TYR 63 HA TYR 63 4.076 -9.480 0.368 499 1HB TYR 63 1HB TYR 63 4.437 -8.218 2.427 500 2HB TYR 63 2HB TYR 63 4.046 -9.919 2.682 501 HD1 TYR 63 HD1 TYR 63 5.215 -11.288 4.109 502 HD2 TYR 63 HD2 TYR 63 6.753 -7.450 2.877 503 HE1 TYR 63 HE1 TYR 63 6.298 -11.008 6.288 504 HE2 TYR 63 HE2 TYR 63 8.099 -7.324 4.929 505 HH TYR 63 HH TYR 63 8.386 -8.172 7.053 506 H LEU 64 H LEU 64 4.715 -7.013 0.793 507 HA LEU 64 HA LEU 64 7.392 -6.220 0.449 508 1HB LEU 64 1HB LEU 64 7.447 -5.345 -1.774 509 2HB LEU 64 2HB LEU 64 7.115 -7.066 -1.847 510 HG LEU 64 HG LEU 64 5.235 -4.775 -2.386 511 1HD1 LEU 64 1HD1 LEU 64 5.973 -7.207 -4.090 512 2HD1 LEU 64 2HD1 LEU 64 4.961 -5.857 -4.590 513 3HD1 LEU 64 3HD1 LEU 64 6.687 -5.586 -4.286 514 1HD2 LEU 64 1HD2 LEU 64 4.645 -7.727 -2.038 515 2HD2 LEU 64 2HD2 LEU 64 3.798 -6.362 -1.241 516 3HD2 LEU 64 3HD2 LEU 64 3.567 -6.686 -2.956 517 H LEU 65 H LEU 65 7.599 -3.936 0.606 518 HA LEU 65 HA LEU 65 5.200 -2.631 1.748 519 1HB LEU 65 1HB LEU 65 7.642 -3.185 2.819 520 2HB LEU 65 2HB LEU 65 8.004 -1.611 2.123 521 HG LEU 65 HG LEU 65 5.729 -2.280 4.034 522 1HD1 LEU 65 1HD1 LEU 65 8.439 -0.933 4.450 523 2HD1 LEU 65 2HD1 LEU 65 7.168 -1.029 5.686 524 3HD1 LEU 65 3HD1 LEU 65 7.937 -2.514 5.084 525 1HD2 LEU 65 1HD2 LEU 65 5.294 -0.229 2.596 526 2HD2 LEU 65 2HD2 LEU 65 5.411 0.091 4.332 527 3HD2 LEU 65 3HD2 LEU 65 6.783 0.462 3.285 528 H TYR 66 H TYR 66 4.375 -0.878 0.618 529 HA TYR 66 HA TYR 66 6.022 0.270 -1.603 530 1HB TYR 66 1HB TYR 66 3.008 -0.068 -1.620 531 2HB TYR 66 2HB TYR 66 4.066 0.329 -2.957 532 HD1 TYR 66 HD1 TYR 66 3.079 -2.460 -0.584 533 HD2 TYR 66 HD2 TYR 66 4.954 -1.484 -4.351 534 HE1 TYR 66 HE1 TYR 66 2.168 -4.508 -1.564 535 HE2 TYR 66 HE2 TYR 66 4.013 -3.552 -5.327 536 HH TYR 66 HH TYR 66 1.602 -5.525 -3.579 537 H TYR 67 H TYR 67 6.644 2.121 -0.650 538 HA TYR 67 HA TYR 67 4.592 3.834 0.662 539 1HB TYR 67 1HB TYR 67 6.321 4.386 2.210 540 2HB TYR 67 2HB TYR 67 5.725 2.745 2.167 541 HD1 TYR 67 HD1 TYR 67 8.633 4.828 2.049 542 HD2 TYR 67 HD2 TYR 67 7.191 0.904 1.060 543 HE1 TYR 67 HE1 TYR 67 10.923 3.920 2.318 544 HE2 TYR 67 HE2 TYR 67 9.463 -0.012 1.312 545 HH TYR 67 HH TYR 67 12.268 2.056 2.182 546 H THR 68 H THR 68 4.686 5.908 0.542 547 HA THR 68 HA THR 68 6.685 7.340 -1.200 548 HB THR 68 HB THR 68 4.542 6.792 -2.265 549 HG1 THR 68 HG1 THR 68 5.882 8.417 -3.003 550 1HG2 THR 68 1HG2 THR 68 2.572 8.074 -1.772 551 2HG2 THR 68 2HG2 THR 68 3.109 7.380 -0.222 552 3HG2 THR 68 3HG2 THR 68 3.410 9.086 -0.590 553 H GLU 69 H GLU 69 6.294 9.838 -0.943 554 HA GLU 69 HA GLU 69 6.234 10.603 1.944 555 1HB GLU 69 1HB GLU 69 7.643 11.887 -0.380 556 2HB GLU 69 2HB GLU 69 7.678 12.432 1.314 557 1HG GLU 69 1HG GLU 69 8.666 10.303 1.967 558 2HG GLU 69 2HG GLU 69 8.744 9.768 0.277 559 H PHE 70 H PHE 70 3.811 10.617 1.672 560 HA PHE 70 HA PHE 70 2.650 12.315 -0.308 561 1HB PHE 70 1HB PHE 70 0.591 11.701 0.488 562 2HB PHE 70 2HB PHE 70 1.557 10.259 0.772 563 HD1 PHE 70 HD1 PHE 70 -0.891 12.469 2.106 564 HD2 PHE 70 HD2 PHE 70 2.608 10.262 3.253 565 HE1 PHE 70 HE1 PHE 70 -1.352 12.913 4.495 566 HE2 PHE 70 HE2 PHE 70 1.730 10.139 5.581 567 HZ PHE 70 HZ PHE 70 -0.076 11.709 6.252 568 H THR 71 H THR 71 1.881 14.277 -0.229 569 HA THR 71 HA THR 71 2.149 15.971 2.204 570 HB THR 71 HB THR 71 2.012 16.904 -0.638 571 HG1 THR 71 HG1 THR 71 4.237 16.933 -0.506 572 1HG2 THR 71 1HG2 THR 71 3.089 18.889 0.351 573 2HG2 THR 71 2HG2 THR 71 1.569 18.571 1.211 574 3HG2 THR 71 3HG2 THR 71 3.116 18.117 1.946 575 HA PRO 72 HA PRO 72 -2.438 15.598 1.462 576 1HB PRO 72 1HB PRO 72 -3.380 15.899 3.978 577 2HB PRO 72 2HB PRO 72 -2.525 14.440 3.432 578 1HG PRO 72 1HG PRO 72 -1.374 16.815 4.934 579 2HG PRO 72 2HG PRO 72 -1.184 15.098 5.360 580 1HD PRO 72 1HD PRO 72 0.694 16.512 3.919 581 2HD PRO 72 2HD PRO 72 0.417 14.776 3.631 582 H THR 73 H THR 73 -1.862 17.640 0.244 583 HA THR 73 HA THR 73 -2.082 20.231 1.400 584 HB THR 73 HB THR 73 -2.502 20.914 -1.007 585 HG1 THR 73 HG1 THR 73 -3.483 18.935 -1.648 586 1HG2 THR 73 1HG2 THR 73 -0.256 20.299 -1.776 587 2HG2 THR 73 2HG2 THR 73 -0.209 20.771 -0.066 588 3HG2 THR 73 3HG2 THR 73 -0.133 19.052 -0.522 589 H GLU 74 H GLU 74 -3.808 20.734 2.586 590 HA GLU 74 HA GLU 74 -5.850 21.285 3.230 591 1HB GLU 74 1HB GLU 74 -6.421 21.523 0.245 592 2HB GLU 74 2HB GLU 74 -7.449 22.131 1.552 593 1HG GLU 74 1HG GLU 74 -5.563 23.563 2.343 594 2HG GLU 74 2HG GLU 74 -4.587 23.000 0.974 595 H LYS 75 H LYS 75 -6.994 19.513 0.362 596 HA LYS 75 HA LYS 75 -8.445 17.594 2.138 597 1HB LYS 75 1HB LYS 75 -9.525 19.076 -0.292 598 2HB LYS 75 2HB LYS 75 -10.369 17.799 0.606 599 1HG LYS 75 1HG LYS 75 -10.271 19.188 2.667 600 2HG LYS 75 2HG LYS 75 -9.521 20.503 1.738 601 1HD LYS 75 1HD LYS 75 -11.491 20.641 0.275 602 2HD LYS 75 2HD LYS 75 -12.254 19.293 1.150 603 1HE LYS 75 1HE LYS 75 -12.218 20.628 3.244 604 2HE LYS 75 2HE LYS 75 -11.455 21.976 2.379 605 1HZ LYS 75 1HZ LYS 75 -13.395 22.129 1.014 606 2HZ LYS 75 2HZ LYS 75 -14.103 20.856 1.786 607 3HZ LYS 75 3HZ LYS 75 -13.810 22.255 2.603 608 H ASP 76 H ASP 76 -5.887 17.627 0.238 609 HA ASP 76 HA ASP 76 -6.558 15.641 -1.763 610 1HB ASP 76 1HB ASP 76 -3.971 16.723 -0.643 611 2HB ASP 76 2HB ASP 76 -3.994 15.274 -1.650 612 H GLU 77 H GLU 77 -7.540 13.855 -1.027 613 HA GLU 77 HA GLU 77 -6.646 12.333 1.310 614 1HB GLU 77 1HB GLU 77 -9.019 12.375 0.712 615 2HB GLU 77 2HB GLU 77 -8.651 11.781 -0.912 616 1HG GLU 77 1HG GLU 77 -9.581 10.016 0.422 617 2HG GLU 77 2HG GLU 77 -7.919 9.602 0.043 618 H TYR 78 H TYR 78 -5.703 10.207 1.126 619 HA TYR 78 HA TYR 78 -4.495 9.460 -1.490 620 1HB TYR 78 1HB TYR 78 -3.059 9.554 1.156 621 2HB TYR 78 2HB TYR 78 -2.568 8.546 -0.199 622 HD1 TYR 78 HD1 TYR 78 -3.472 12.148 0.482 623 HD2 TYR 78 HD2 TYR 78 -0.855 9.376 -1.517 624 HE1 TYR 78 HE1 TYR 78 -2.322 14.031 -0.639 625 HE2 TYR 78 HE2 TYR 78 0.473 11.292 -2.400 626 HH TYR 78 HH TYR 78 0.666 13.578 -2.560 627 H ALA 79 H ALA 79 -4.334 7.274 -1.878 628 HA ALA 79 HA ALA 79 -5.482 5.389 0.077 629 1HB ALA 79 1HB ALA 79 -7.329 6.246 -1.445 630 2HB ALA 79 2HB ALA 79 -6.421 5.594 -2.824 631 3HB ALA 79 3HB ALA 79 -7.037 4.503 -1.579 632 H CYS 80 H CYS 80 -5.248 3.169 -0.690 633 HA CYS 80 HA CYS 80 -2.698 2.694 -2.180 634 1HB CYS 80 1HB CYS 80 -4.058 1.035 -0.018 635 2HB CYS 80 2HB CYS 80 -2.564 0.620 -0.861 636 H ARG 81 H ARG 81 -3.140 1.886 -4.168 637 HA ARG 81 HA ARG 81 -5.544 0.466 -4.951 638 1HB ARG 81 1HB ARG 81 -4.068 1.629 -6.509 639 2HB ARG 81 2HB ARG 81 -2.727 0.577 -6.026 640 1HG ARG 81 1HG ARG 81 -3.884 -1.383 -6.908 641 2HG ARG 81 2HG ARG 81 -5.251 -0.380 -7.430 642 1HD ARG 81 1HD ARG 81 -2.366 -0.025 -8.331 643 2HD ARG 81 2HD ARG 81 -3.601 -0.873 -9.268 644 HE ARG 81 HE ARG 81 -4.628 1.676 -8.642 645 1HH1 ARG 81 1HH2 ARG 81 -1.886 0.396 -10.499 646 2HH1 ARG 81 2HH2 ARG 81 -2.082 1.528 -11.811 647 1HH2 ARG 81 1HH1 ARG 81 -4.738 3.287 -10.258 648 2HH2 ARG 81 2HH1 ARG 81 -3.651 3.244 -11.622 649 H VAL 82 H VAL 82 -5.934 -1.841 -4.720 650 HA VAL 82 HA VAL 82 -3.652 -3.511 -3.858 651 HB VAL 82 HB VAL 82 -6.393 -3.724 -2.566 652 1HG1 VAL 82 1HG1 VAL 82 -4.869 -5.703 -2.668 653 2HG1 VAL 82 2HG1 VAL 82 -3.636 -4.751 -1.811 654 3HG1 VAL 82 3HG1 VAL 82 -5.182 -5.139 -1.012 655 1HG2 VAL 82 1HG2 VAL 82 -5.536 -1.558 -1.820 656 2HG2 VAL 82 2HG2 VAL 82 -5.402 -2.741 -0.528 657 3HG2 VAL 82 3HG2 VAL 82 -3.954 -2.281 -1.443 658 H ASN 83 H ASN 83 -3.451 -4.506 -5.798 659 HA ASN 83 HA ASN 83 -5.846 -5.940 -6.925 660 1HB ASN 83 1HB ASN 83 -3.540 -4.672 -8.426 661 2HB ASN 83 2HB ASN 83 -4.920 -5.515 -9.129 662 1HD2 ASN 83 2HD2 ASN 83 -4.640 -3.385 -10.370 663 2HD2 ASN 83 1HD2 ASN 83 -5.661 -2.062 -9.827 664 H HIS 84 H HIS 84 -4.843 -7.735 -5.377 665 HA HIS 84 HA HIS 84 -2.326 -8.951 -6.280 666 1HB HIS 84 1HB HIS 84 -3.208 -9.217 -3.961 667 2HB HIS 84 2HB HIS 84 -4.608 -10.062 -4.628 668 HD2 HIS 84 HD2 HIS 84 -0.719 -10.731 -5.260 669 HE1 HIS 84 HE1 HIS 84 -2.628 -14.302 -4.079 670 HE2 HIS 84 HE2 HIS 84 -0.407 -13.272 -4.854 671 H VAL 85 H VAL 85 -2.339 -10.967 -7.596 672 HA VAL 85 HA VAL 85 -4.209 -11.177 -9.642 673 HB VAL 85 HB VAL 85 -1.943 -12.170 -9.590 674 1HG1 VAL 85 1HG1 VAL 85 -3.203 -14.514 -8.097 675 2HG1 VAL 85 2HG1 VAL 85 -1.552 -14.388 -8.713 676 3HG1 VAL 85 3HG1 VAL 85 -2.073 -13.336 -7.387 677 1HG2 VAL 85 1HG2 VAL 85 -4.169 -14.067 -10.430 678 2HG2 VAL 85 2HG2 VAL 85 -3.533 -12.700 -11.373 679 3HG2 VAL 85 3HG2 VAL 85 -2.493 -14.085 -11.012 680 H THR 86 H THR 86 -4.282 -12.788 -6.440 681 HA THR 86 HA THR 86 -6.613 -14.342 -7.167 682 HB THR 86 HB THR 86 -4.646 -14.724 -5.323 683 HG1 THR 86 HG1 THR 86 -5.935 -16.253 -6.328 684 1HG2 THR 86 1HG2 THR 86 -7.204 -14.321 -3.725 685 2HG2 THR 86 2HG2 THR 86 -5.609 -14.807 -3.130 686 3HG2 THR 86 3HG2 THR 86 -5.863 -13.148 -3.694 687 H LEU 87 H LEU 87 -6.195 -11.085 -5.830 688 HA LEU 87 HA LEU 87 -8.974 -10.847 -4.982 689 1HB LEU 87 1HB LEU 87 -6.736 -8.950 -5.658 690 2HB LEU 87 2HB LEU 87 -8.374 -8.383 -5.900 691 HG LEU 87 HG LEU 87 -9.010 -8.796 -3.634 692 1HD1 LEU 87 1HD1 LEU 87 -7.535 -10.720 -3.061 693 2HD1 LEU 87 2HD1 LEU 87 -6.127 -9.639 -3.123 694 3HD1 LEU 87 3HD1 LEU 87 -7.386 -9.389 -1.901 695 1HD2 LEU 87 1HD2 LEU 87 -8.034 -6.629 -4.271 696 2HD2 LEU 87 2HD2 LEU 87 -7.583 -7.026 -2.602 697 3HD2 LEU 87 3HD2 LEU 87 -6.402 -7.232 -3.911 698 H SER 88 H SER 88 -7.158 -9.906 -7.919 699 HA SER 88 HA SER 88 -7.704 -9.649 -10.064 700 1HB SER 88 1HB SER 88 -8.834 -11.869 -9.946 701 2HB SER 88 2HB SER 88 -10.375 -11.044 -9.617 702 HG SER 88 HG SER 88 -9.992 -11.488 -11.846 703 H GLN 89 H GLN 89 -10.327 -8.896 -7.761 704 HA GLN 89 HA GLN 89 -11.402 -6.711 -9.324 705 1HB GLN 89 1HB GLN 89 -11.788 -7.415 -6.401 706 2HB GLN 89 2HB GLN 89 -12.756 -6.275 -7.344 707 1HG GLN 89 1HG GLN 89 -12.580 -9.298 -7.769 708 2HG GLN 89 2HG GLN 89 -13.923 -8.396 -7.078 709 1HE2 GLN 89 2HE2 GLN 89 -12.270 -9.285 -10.060 710 2HE2 GLN 89 1HE2 GLN 89 -13.478 -8.633 -11.148 711 HA PRO 90 HA PRO 90 -8.009 -4.215 -7.839 712 1HB PRO 90 1HB PRO 90 -8.460 -1.857 -9.165 713 2HB PRO 90 2HB PRO 90 -7.980 -3.359 -10.003 714 1HG PRO 90 1HG PRO 90 -10.791 -2.275 -9.680 715 2HG PRO 90 2HG PRO 90 -9.992 -2.837 -11.175 716 1HD PRO 90 1HD PRO 90 -11.632 -4.447 -9.687 717 2HD PRO 90 2HD PRO 90 -10.199 -5.095 -10.543 718 H LYS 91 H LYS 91 -8.347 -3.966 -5.625 719 HA LYS 91 HA LYS 91 -10.654 -2.398 -4.665 720 1HB LYS 91 1HB LYS 91 -10.111 -4.709 -3.866 721 2HB LYS 91 2HB LYS 91 -8.646 -4.064 -3.116 722 1HG LYS 91 1HG LYS 91 -10.248 -2.379 -1.928 723 2HG LYS 91 2HG LYS 91 -11.554 -3.438 -2.463 724 1HD LYS 91 1HD LYS 91 -9.170 -4.212 -0.715 725 2HD LYS 91 2HD LYS 91 -10.826 -3.926 -0.156 726 1HE LYS 91 1HE LYS 91 -11.608 -5.853 -1.552 727 2HE LYS 91 2HE LYS 91 -9.927 -6.170 -2.024 728 1HZ LYS 91 1HZ LYS 91 -9.406 -6.517 0.275 729 2HZ LYS 91 2HZ LYS 91 -10.971 -6.244 0.714 730 3HZ LYS 91 3HZ LYS 91 -10.593 -7.546 -0.222 731 H ILE 92 H ILE 92 -10.160 -0.192 -4.798 732 HA ILE 92 HA ILE 92 -7.528 0.763 -3.943 733 HB ILE 92 HB ILE 92 -9.888 2.460 -4.769 734 1HG1 ILE 92 1HG1 ILE 92 -9.698 0.937 -6.603 735 2HG1 ILE 92 2HG1 ILE 92 -9.006 2.491 -7.047 736 1HG2 ILE 92 1HG2 ILE 92 -6.861 2.830 -4.840 737 2HG2 ILE 92 2HG2 ILE 92 -8.065 4.004 -5.415 738 3HG2 ILE 92 3HG2 ILE 92 -7.988 3.575 -3.696 739 1HD1 ILE 92 1HD1 ILE 92 -6.725 1.591 -6.750 740 2HD1 ILE 92 2HD1 ILE 92 -7.409 0.016 -6.262 741 3HD1 ILE 92 3HD1 ILE 92 -7.665 0.628 -7.899 742 H VAL 93 H VAL 93 -7.389 0.419 -1.704 743 HA VAL 93 HA VAL 93 -9.649 1.193 0.034 744 HB VAL 93 HB VAL 93 -6.982 -0.100 0.727 745 1HG1 VAL 93 1HG1 VAL 93 -7.963 1.059 2.659 746 2HG1 VAL 93 2HG1 VAL 93 -9.551 0.336 2.324 747 3HG1 VAL 93 3HG1 VAL 93 -8.197 -0.679 2.847 748 1HG2 VAL 93 1HG2 VAL 93 -8.281 -1.608 -0.684 749 2HG2 VAL 93 2HG2 VAL 93 -8.391 -2.159 0.991 750 3HG2 VAL 93 3HG2 VAL 93 -9.754 -1.284 0.264 751 H LYS 94 H LYS 94 -9.772 3.204 0.874 752 HA LYS 94 HA LYS 94 -7.714 5.173 0.663 753 1HB LYS 94 1HB LYS 94 -10.239 5.046 2.342 754 2HB LYS 94 2HB LYS 94 -9.139 6.435 2.300 755 1HG LYS 94 1HG LYS 94 -9.441 6.613 -0.158 756 2HG LYS 94 2HG LYS 94 -10.642 5.304 -0.097 757 1HD LYS 94 1HD LYS 94 -12.048 6.653 1.424 758 2HD LYS 94 2HD LYS 94 -10.809 7.925 1.468 759 1HE LYS 94 1HE LYS 94 -11.067 8.255 -0.989 760 2HE LYS 94 2HE LYS 94 -12.348 7.027 -1.010 761 1HZ LYS 94 1HZ LYS 94 -12.403 9.559 0.481 762 2HZ LYS 94 2HZ LYS 94 -13.223 9.233 -0.911 763 3HZ LYS 94 3HZ LYS 94 -13.603 8.427 0.476 764 H TRP 95 H TRP 95 -6.215 5.913 2.067 765 HA TRP 95 HA TRP 95 -5.392 4.322 4.381 766 1HB TRP 95 1HB TRP 95 -3.614 5.346 3.204 767 2HB TRP 95 2HB TRP 95 -4.516 6.818 2.961 768 HD1 TRP 95 HD1 TRP 95 -3.133 5.148 6.216 769 HE1 TRP 95 HE1 TRP 95 -2.058 7.035 7.629 770 HE3 TRP 95 HE3 TRP 95 -3.842 9.079 3.050 771 HZ2 TRP 95 HZ2 TRP 95 -2.046 9.924 7.609 772 HZ3 TRP 95 HZ3 TRP 95 -3.209 11.374 3.739 773 HH2 TRP 95 HH2 TRP 95 -2.557 11.819 6.094 774 H ASP 96 H ASP 96 -5.520 5.009 6.535 775 HA ASP 96 HA ASP 96 -6.974 7.490 7.139 776 1HB ASP 96 1HB ASP 96 -8.662 5.697 7.288 777 2HB ASP 96 2HB ASP 96 -7.618 4.798 8.404 778 H ARG 97 H ARG 97 -6.409 8.386 9.056 779 HA ARG 97 HA ARG 97 -3.645 7.818 9.950 780 1HB ARG 97 1HB ARG 97 -4.341 10.131 11.205 781 2HB ARG 97 2HB ARG 97 -3.553 10.037 9.649 782 1HG ARG 97 1HG ARG 97 -6.584 10.121 9.891 783 2HG ARG 97 2HG ARG 97 -5.611 11.580 9.900 784 1HD ARG 97 1HD ARG 97 -5.127 11.522 7.690 785 2HD ARG 97 2HD ARG 97 -4.936 9.769 7.652 786 HE ARG 97 HE ARG 97 -7.697 10.579 7.994 787 1HH1 ARG 97 1HH2 ARG 97 -5.201 9.958 5.532 788 2HH1 ARG 97 2HH2 ARG 97 -6.370 9.757 4.243 789 1HH2 ARG 97 1HH1 ARG 97 -9.190 10.173 6.274 790 2HH2 ARG 97 2HH1 ARG 97 -8.590 9.871 4.659 791 H ASP 98 H ASP 98 -4.312 5.869 11.002 792 HA ASP 98 HA ASP 98 -4.811 6.258 13.829 793 1HB ASP 98 1HB ASP 98 -7.119 6.141 12.908 794 2HB ASP 98 2HB ASP 98 -6.752 4.582 12.165 795 H MET 99 H MET 99 -2.795 5.417 14.137 796 HA MET 99 HA MET 99 -2.307 2.580 13.659 797 1HB MET 99 1HB MET 99 -0.241 2.970 12.369 798 2HB MET 99 2HB MET 99 -1.684 3.488 11.510 799 1HG MET 99 1HG MET 99 -0.079 5.149 11.090 800 2HG MET 99 2HG MET 99 -1.211 5.865 12.214 801 1HE MET 99 1HE MET 99 2.365 4.562 11.504 802 2HE MET 99 2HE MET 99 3.195 4.736 13.064 803 3HE MET 99 3HE MET 99 1.988 3.454 12.847 Start of MODEL 6 1 1H MET 0 1H MET 0 -9.150 -24.280 -3.452 2 2H MET 0 2H MET 0 -8.117 -24.598 -2.207 3 3H MET 0 3H MET 0 -8.917 -23.161 -2.258 4 HA MET 0 HA MET 0 -6.914 -24.070 -4.173 5 1HB MET 0 1HB MET 0 -8.226 -21.334 -3.937 6 2HB MET 0 2HB MET 0 -7.018 -21.843 -5.131 7 1HG MET 0 1HG MET 0 -8.629 -23.522 -6.018 8 2HG MET 0 2HG MET 0 -9.851 -22.923 -4.883 9 1HE MET 0 1HE MET 0 -11.621 -22.537 -6.717 10 2HE MET 0 2HE MET 0 -11.313 -21.642 -8.221 11 3HE MET 0 3HE MET 0 -10.490 -23.190 -7.928 12 H ILE 1 H ILE 1 -4.817 -23.119 -3.946 13 HA ILE 1 HA ILE 1 -4.149 -22.542 -1.133 14 HB ILE 1 HB ILE 1 -2.294 -23.138 -3.448 15 1HG1 ILE 1 1HG1 ILE 1 -2.198 -25.407 -2.040 16 2HG1 ILE 1 2HG1 ILE 1 -3.852 -24.977 -1.610 17 1HG2 ILE 1 1HG2 ILE 1 -1.247 -22.069 -1.429 18 2HG2 ILE 1 2HG2 ILE 1 -1.901 -23.376 -0.431 19 3HG2 ILE 1 3HG2 ILE 1 -0.696 -23.715 -1.693 20 1HD1 ILE 1 1HD1 ILE 1 -2.738 -25.285 -4.447 21 2HD1 ILE 1 2HD1 ILE 1 -3.635 -26.528 -3.557 22 3HD1 ILE 1 3HD1 ILE 1 -4.451 -25.044 -4.042 23 H GLN 2 H GLN 2 -5.461 -20.477 -1.835 24 HA GLN 2 HA GLN 2 -3.765 -18.391 -3.116 25 1HB GLN 2 1HB GLN 2 -6.734 -18.692 -2.670 26 2HB GLN 2 2HB GLN 2 -5.958 -17.255 -3.352 27 1HG GLN 2 1HG GLN 2 -5.000 -18.520 -5.179 28 2HG GLN 2 2HG GLN 2 -5.588 -20.053 -4.523 29 1HE2 GLN 2 2HE2 GLN 2 -6.112 -19.082 -7.162 30 2HE2 GLN 2 1HE2 GLN 2 -7.845 -18.860 -7.293 31 H ARG 3 H ARG 3 -2.466 -17.881 -1.160 32 HA ARG 3 HA ARG 3 -3.837 -17.153 1.290 33 1HB ARG 3 1HB ARG 3 -0.965 -16.939 0.396 34 2HB ARG 3 2HB ARG 3 -1.548 -16.341 1.963 35 1HG ARG 3 1HG ARG 3 -2.411 -18.543 2.576 36 2HG ARG 3 2HG ARG 3 -2.008 -19.192 0.980 37 1HD ARG 3 1HD ARG 3 -0.391 -19.936 2.614 38 2HD ARG 3 2HD ARG 3 0.370 -18.888 1.407 39 HE ARG 3 HE ARG 3 -0.450 -17.392 3.737 40 1HH1 ARG 3 1HH2 ARG 3 2.045 -19.582 2.467 41 2HH1 ARG 3 2HH2 ARG 3 3.278 -19.000 3.562 42 1HH2 ARG 3 1HH1 ARG 3 1.214 -16.647 5.184 43 2HH2 ARG 3 2HH1 ARG 3 2.811 -17.347 5.074 44 H THR 4 H THR 4 -4.837 -15.352 1.694 45 HA THR 4 HA THR 4 -5.122 -13.316 -0.237 46 HB THR 4 HB THR 4 -6.018 -13.514 2.673 47 HG1 THR 4 HG1 THR 4 -7.247 -14.306 0.247 48 1HG2 THR 4 1HG2 THR 4 -7.285 -11.878 0.437 49 2HG2 THR 4 2HG2 THR 4 -7.873 -12.054 2.095 50 3HG2 THR 4 3HG2 THR 4 -6.354 -11.201 1.800 51 HA PRO 5 HA PRO 5 -1.927 -10.468 1.236 52 1HB PRO 5 1HB PRO 5 -2.954 -8.068 0.334 53 2HB PRO 5 2HB PRO 5 -2.150 -9.278 -0.712 54 1HG PRO 5 1HG PRO 5 -5.116 -8.900 -0.227 55 2HG PRO 5 2HG PRO 5 -4.267 -9.050 -1.792 56 1HD PRO 5 1HD PRO 5 -5.465 -11.178 -0.656 57 2HD PRO 5 2HD PRO 5 -3.873 -11.393 -1.422 58 H LYS 6 H LYS 6 -1.845 -10.301 3.399 59 HA LYS 6 HA LYS 6 -3.900 -8.979 5.010 60 1HB LYS 6 1HB LYS 6 -2.447 -10.852 5.876 61 2HB LYS 6 2HB LYS 6 -1.052 -9.773 5.715 62 1HG LYS 6 1HG LYS 6 -2.515 -8.098 7.120 63 2HG LYS 6 2HG LYS 6 -3.461 -9.535 7.538 64 1HD LYS 6 1HD LYS 6 -1.375 -10.624 8.383 65 2HD LYS 6 2HD LYS 6 -0.447 -9.178 7.948 66 1HE LYS 6 1HE LYS 6 -2.685 -9.321 10.022 67 2HE LYS 6 2HE LYS 6 -0.946 -9.207 10.344 68 1HZ LYS 6 1HZ LYS 6 -1.002 -7.082 9.128 69 2HZ LYS 6 2HZ LYS 6 -2.641 -7.170 9.091 70 3HZ LYS 6 3HZ LYS 6 -1.861 -7.079 10.538 71 H ILE 7 H ILE 7 -4.093 -6.828 4.663 72 HA ILE 7 HA ILE 7 -1.791 -5.194 3.830 73 HB ILE 7 HB ILE 7 -4.621 -4.229 4.189 74 1HG1 ILE 7 1HG1 ILE 7 -4.491 -4.624 1.527 75 2HG1 ILE 7 2HG1 ILE 7 -3.588 -6.050 2.030 76 1HG2 ILE 7 1HG2 ILE 7 -2.669 -2.664 3.806 77 2HG2 ILE 7 2HG2 ILE 7 -2.438 -3.427 2.234 78 3HG2 ILE 7 3HG2 ILE 7 -3.951 -2.569 2.580 79 1HD1 ILE 7 1HD1 ILE 7 -6.413 -5.224 2.867 80 2HD1 ILE 7 2HD1 ILE 7 -5.978 -6.537 1.755 81 3HD1 ILE 7 3HD1 ILE 7 -5.594 -6.673 3.479 82 H GLN 8 H GLN 8 -0.744 -3.742 5.271 83 HA GLN 8 HA GLN 8 -2.284 -2.701 7.559 84 1HB GLN 8 1HB GLN 8 -0.022 -2.705 8.695 85 2HB GLN 8 2HB GLN 8 -0.957 -4.206 8.709 86 1HG GLN 8 1HG GLN 8 1.326 -3.642 6.783 87 2HG GLN 8 2HG GLN 8 1.550 -4.388 8.363 88 1HE2 GLN 8 2HE2 GLN 8 2.023 -5.411 5.556 89 2HE2 GLN 8 1HE2 GLN 8 1.205 -6.962 5.544 90 H VAL 9 H VAL 9 -2.731 -0.790 6.491 91 HA VAL 9 HA VAL 9 -0.507 0.691 5.215 92 HB VAL 9 HB VAL 9 -3.451 1.417 5.277 93 1HG1 VAL 9 1HG1 VAL 9 -1.968 3.302 4.825 94 2HG1 VAL 9 2HG1 VAL 9 -1.059 2.364 3.631 95 3HG1 VAL 9 3HG1 VAL 9 -2.749 2.785 3.323 96 1HG2 VAL 9 1HG2 VAL 9 -1.890 -0.229 3.256 97 2HG2 VAL 9 2HG2 VAL 9 -3.386 -0.645 4.145 98 3HG2 VAL 9 3HG2 VAL 9 -3.428 0.590 2.891 99 H TYR 10 H TYR 10 0.631 1.954 6.560 100 HA TYR 10 HA TYR 10 -0.804 3.547 8.670 101 1HB TYR 10 1HB TYR 10 1.315 3.434 9.914 102 2HB TYR 10 2HB TYR 10 0.380 1.958 9.764 103 HD1 TYR 10 HD1 TYR 10 3.588 3.564 8.971 104 HD2 TYR 10 HD2 TYR 10 1.114 0.088 8.382 105 HE1 TYR 10 HE1 TYR 10 5.571 2.270 8.200 106 HE2 TYR 10 HE2 TYR 10 3.084 -1.196 7.612 107 HH TYR 10 HH TYR 10 5.335 -1.135 7.130 108 H SER 11 H SER 11 0.109 5.583 9.206 109 HA SER 11 HA SER 11 1.848 6.910 7.196 110 1HB SER 11 1HB SER 11 1.178 8.973 8.650 111 2HB SER 11 2HB SER 11 0.118 8.359 7.388 112 HG SER 11 HG SER 11 -0.914 8.760 9.463 113 H ARG 12 H ARG 12 3.985 7.130 7.857 114 HA ARG 12 HA ARG 12 4.773 6.046 10.419 115 1HB ARG 12 1HB ARG 12 6.069 6.111 8.097 116 2HB ARG 12 2HB ARG 12 6.643 7.664 8.705 117 1HG ARG 12 1HG ARG 12 8.280 6.137 9.387 118 2HG ARG 12 2HG ARG 12 7.309 6.373 10.848 119 1HD ARG 12 1HD ARG 12 6.033 4.224 10.189 120 2HD ARG 12 2HD ARG 12 7.148 4.074 8.833 121 HE ARG 12 HE ARG 12 8.754 3.251 10.212 122 1HH1 ARG 12 1HH2 ARG 12 6.318 4.859 12.237 123 2HH1 ARG 12 2HH2 ARG 12 7.011 4.300 13.735 124 1HH2 ARG 12 1HH1 ARG 12 9.653 2.526 12.181 125 2HH2 ARG 12 2HH1 ARG 12 8.925 2.970 13.703 126 H HIS 13 H HIS 13 4.824 9.290 8.936 127 HA HIS 13 HA HIS 13 5.524 10.601 11.475 128 1HB HIS 13 1HB HIS 13 5.080 11.581 8.634 129 2HB HIS 13 2HB HIS 13 5.538 12.629 9.978 130 HD2 HIS 13 HD2 HIS 13 7.666 12.986 7.940 131 HE1 HIS 13 HE1 HIS 13 9.783 9.653 9.460 132 HE2 HIS 13 HE2 HIS 13 9.965 11.736 7.991 133 HA PRO 14 HA PRO 14 1.287 11.759 12.264 134 1HB PRO 14 1HB PRO 14 1.486 14.095 13.643 135 2HB PRO 14 2HB PRO 14 2.071 12.532 14.279 136 1HG PRO 14 1HG PRO 14 3.706 14.694 12.931 137 2HG PRO 14 2HG PRO 14 4.068 13.827 14.451 138 1HD PRO 14 1HD PRO 14 5.146 13.115 12.051 139 2HD PRO 14 2HD PRO 14 4.750 11.890 13.276 140 H ALA 15 H ALA 15 -0.049 12.282 10.645 141 HA ALA 15 HA ALA 15 0.622 13.862 8.440 142 1HB ALA 15 1HB ALA 15 -2.158 13.045 9.365 143 2HB ALA 15 2HB ALA 15 -1.691 13.558 7.734 144 3HB ALA 15 3HB ALA 15 -1.038 12.050 8.407 145 H GLU 16 H GLU 16 0.689 15.958 8.098 146 HA GLU 16 HA GLU 16 -1.095 17.839 9.562 147 1HB GLU 16 1HB GLU 16 1.175 17.833 10.559 148 2HB GLU 16 2HB GLU 16 1.871 18.159 8.961 149 1HG GLU 16 1HG GLU 16 0.653 20.334 8.886 150 2HG GLU 16 2HG GLU 16 -0.048 19.989 10.478 151 H ASN 17 H ASN 17 -2.165 19.140 8.160 152 HA ASN 17 HA ASN 17 -2.241 18.601 5.468 153 1HB ASN 17 1HB ASN 17 -3.665 20.564 5.281 154 2HB ASN 17 2HB ASN 17 -4.081 19.526 6.642 155 1HD2 ASN 17 2HD2 ASN 17 -2.367 22.573 5.785 156 2HD2 ASN 17 1HD2 ASN 17 -2.623 23.346 7.334 157 H GLY 18 H GLY 18 -1.267 19.299 3.656 158 1HA GLY 18 1HA GLY 18 0.153 20.354 2.238 159 2HA GLY 18 2HA GLY 18 -0.159 21.817 3.176 160 H LYS 19 H LYS 19 1.381 18.983 4.684 161 HA LYS 19 HA LYS 19 4.073 20.172 4.304 162 1HB LYS 19 1HB LYS 19 3.076 20.921 6.447 163 2HB LYS 19 2HB LYS 19 3.016 19.218 6.951 164 1HG LYS 19 1HG LYS 19 5.586 20.566 6.070 165 2HG LYS 19 2HG LYS 19 4.983 20.770 7.710 166 1HD LYS 19 1HD LYS 19 5.015 17.922 6.981 167 2HD LYS 19 2HD LYS 19 6.593 18.679 6.740 168 1HE LYS 19 1HE LYS 19 6.464 17.758 8.971 169 2HE LYS 19 2HE LYS 19 6.496 19.526 9.099 170 1HZ LYS 19 1HZ LYS 19 4.085 17.841 9.221 171 2HZ LYS 19 2HZ LYS 19 4.847 18.499 10.523 172 3HZ LYS 19 3HZ LYS 19 4.125 19.477 9.414 173 H SER 20 H SER 20 5.221 18.763 3.556 174 HA SER 20 HA SER 20 4.721 16.273 2.784 175 1HB SER 20 1HB SER 20 7.182 15.806 2.586 176 2HB SER 20 2HB SER 20 6.480 17.216 1.796 177 HG SER 20 HG SER 20 8.470 17.645 2.944 178 H ASN 21 H ASN 21 4.449 14.375 3.755 179 HA ASN 21 HA ASN 21 5.400 13.853 6.541 180 1HB ASN 21 1HB ASN 21 2.955 14.447 5.896 181 2HB ASN 21 2HB ASN 21 2.858 12.796 5.334 182 1HD2 ASN 21 2HD2 ASN 21 2.148 11.370 6.979 183 2HD2 ASN 21 1HD2 ASN 21 2.322 11.666 8.692 184 H PHE 22 H PHE 22 4.089 11.032 6.206 185 HA PHE 22 HA PHE 22 5.631 9.824 4.082 186 1HB PHE 22 1HB PHE 22 6.887 10.010 6.610 187 2HB PHE 22 2HB PHE 22 6.322 8.351 6.508 188 HD1 PHE 22 HD1 PHE 22 9.092 10.325 5.899 189 HD2 PHE 22 HD2 PHE 22 6.679 7.322 3.955 190 HE1 PHE 22 HE1 PHE 22 10.941 9.857 4.319 191 HE2 PHE 22 HE2 PHE 22 8.491 6.955 2.299 192 HZ PHE 22 HZ PHE 22 10.581 8.291 2.431 193 H LEU 23 H LEU 23 4.303 8.497 3.206 194 HA LEU 23 HA LEU 23 2.150 7.088 4.679 195 1HB LEU 23 1HB LEU 23 1.487 8.528 2.814 196 2HB LEU 23 2HB LEU 23 2.637 7.719 1.756 197 HG LEU 23 HG LEU 23 1.217 5.656 1.946 198 1HD1 LEU 23 1HD1 LEU 23 -0.506 7.543 3.620 199 2HD1 LEU 23 2HD1 LEU 23 -1.042 5.979 2.968 200 3HD1 LEU 23 3HD1 LEU 23 0.237 6.031 4.189 201 1HD2 LEU 23 1HD2 LEU 23 0.850 7.326 0.137 202 2HD2 LEU 23 2HD2 LEU 23 -0.700 6.634 0.652 203 3HD2 LEU 23 3HD2 LEU 23 -0.216 8.254 1.201 204 H ASN 24 H ASN 24 2.120 4.845 4.723 205 HA ASN 24 HA ASN 24 4.170 3.314 3.178 206 1HB ASN 24 1HB ASN 24 3.606 3.218 6.139 207 2HB ASN 24 2HB ASN 24 4.537 2.008 5.239 208 1HD2 ASN 24 2HD2 ASN 24 4.465 5.572 5.907 209 2HD2 ASN 24 1HD2 ASN 24 6.208 5.750 5.946 210 H CYS 25 H CYS 25 2.648 2.393 1.807 211 HA CYS 25 HA CYS 25 0.443 0.795 2.966 212 1HB CYS 25 1HB CYS 25 1.497 0.602 0.135 213 2HB CYS 25 2HB CYS 25 -0.047 0.087 0.764 214 H TYR 26 H TYR 26 0.986 -1.232 3.822 215 HA TYR 26 HA TYR 26 3.344 -2.647 2.677 216 1HB TYR 26 1HB TYR 26 4.002 -1.693 4.833 217 2HB TYR 26 2HB TYR 26 2.574 -2.327 5.588 218 HD1 TYR 26 HD1 TYR 26 4.709 -4.291 3.205 219 HD2 TYR 26 HD2 TYR 26 3.762 -3.529 7.335 220 HE1 TYR 26 HE1 TYR 26 5.828 -6.377 3.832 221 HE2 TYR 26 HE2 TYR 26 4.782 -5.699 7.956 222 HH TYR 26 HH TYR 26 6.409 -7.797 5.551 223 H VAL 27 H VAL 27 2.832 -4.648 1.979 224 HA VAL 27 HA VAL 27 0.284 -5.865 2.930 225 HB VAL 27 HB VAL 27 1.332 -6.103 0.071 226 1HG1 VAL 27 1HG1 VAL 27 -0.309 -7.800 0.892 227 2HG1 VAL 27 2HG1 VAL 27 -1.402 -6.502 1.382 228 3HG1 VAL 27 3HG1 VAL 27 -1.030 -6.749 -0.335 229 1HG2 VAL 27 1HG2 VAL 27 -0.675 -4.112 1.099 230 2HG2 VAL 27 2HG2 VAL 27 0.907 -3.732 0.388 231 3HG2 VAL 27 3HG2 VAL 27 -0.338 -4.502 -0.611 232 H SER 28 H SER 28 0.459 -8.083 3.348 233 HA SER 28 HA SER 28 2.734 -9.544 2.379 234 1HB SER 28 1HB SER 28 3.749 -9.973 4.599 235 2HB SER 28 2HB SER 28 3.743 -8.253 4.334 236 HG SER 28 HG SER 28 1.967 -9.746 5.950 237 H GLY 29 H GLY 29 2.863 -11.773 3.737 238 1HA GLY 29 1HA GLY 29 1.706 -13.583 4.647 239 2HA GLY 29 2HA GLY 29 0.176 -12.732 4.478 240 H PHE 30 H PHE 30 0.747 -12.015 1.624 241 HA PHE 30 HA PHE 30 -0.633 -14.247 0.506 242 1HB PHE 30 1HB PHE 30 -0.823 -12.827 -1.456 243 2HB PHE 30 2HB PHE 30 -1.168 -11.949 -0.010 244 HD1 PHE 30 HD1 PHE 30 1.291 -12.444 -2.725 245 HD2 PHE 30 HD2 PHE 30 0.210 -9.952 0.633 246 HE1 PHE 30 HE1 PHE 30 3.117 -10.896 -3.289 247 HE2 PHE 30 HE2 PHE 30 2.004 -8.382 0.004 248 HZ PHE 30 HZ PHE 30 3.485 -8.881 -1.914 249 H HIS 31 H HIS 31 -0.064 -15.044 -1.728 250 HA HIS 31 HA HIS 31 2.565 -14.800 -2.862 251 1HB HIS 31 1HB HIS 31 3.412 -16.948 -2.703 252 2HB HIS 31 2HB HIS 31 2.898 -16.622 -1.059 253 HD2 HIS 31 HD2 HIS 31 1.822 -18.666 -4.181 254 HE1 HIS 31 HE1 HIS 31 -0.380 -20.084 -0.843 255 HE2 HIS 31 HE2 HIS 31 0.138 -20.526 -3.316 256 HA PRO 32 HA PRO 32 3.421 -16.082 -4.768 257 1HB PRO 32 1HB PRO 32 3.590 -16.383 -7.428 258 2HB PRO 32 2HB PRO 32 2.740 -17.593 -6.458 259 1HG PRO 32 1HG PRO 32 1.455 -15.235 -7.882 260 2HG PRO 32 2HG PRO 32 1.085 -16.970 -8.111 261 1HD PRO 32 1HD PRO 32 -0.290 -15.393 -6.327 262 2HD PRO 32 2HD PRO 32 0.037 -17.119 -6.007 263 H SER 33 H SER 33 4.341 -14.696 -7.242 264 HA SER 33 HA SER 33 4.826 -12.232 -5.845 265 1HB SER 33 1HB SER 33 6.772 -12.199 -7.350 266 2HB SER 33 2HB SER 33 6.541 -13.841 -6.720 267 HG SER 33 HG SER 33 5.688 -12.912 -9.247 268 H ASP 34 H ASP 34 2.204 -12.396 -7.387 269 HA ASP 34 HA ASP 34 2.676 -10.192 -9.371 270 1HB ASP 34 1HB ASP 34 2.132 -12.339 -10.385 271 2HB ASP 34 2HB ASP 34 0.682 -12.475 -9.391 272 H ILE 35 H ILE 35 2.396 -8.684 -7.531 273 HA ILE 35 HA ILE 35 -0.501 -8.135 -7.133 274 HB ILE 35 HB ILE 35 0.355 -9.028 -5.154 275 1HG1 ILE 35 1HG1 ILE 35 0.130 -6.037 -4.712 276 2HG1 ILE 35 2HG1 ILE 35 -1.246 -7.093 -4.982 277 1HG2 ILE 35 1HG2 ILE 35 2.451 -6.867 -5.202 278 2HG2 ILE 35 2HG2 ILE 35 2.134 -7.976 -3.850 279 3HG2 ILE 35 3HG2 ILE 35 2.709 -8.632 -5.382 280 1HD1 ILE 35 1HD1 ILE 35 -0.360 -8.487 -2.982 281 2HD1 ILE 35 2HD1 ILE 35 0.625 -7.063 -2.606 282 3HD1 ILE 35 3HD1 ILE 35 -1.137 -6.917 -2.665 283 H GLU 36 H GLU 36 -1.158 -6.079 -7.055 284 HA GLU 36 HA GLU 36 0.555 -3.992 -8.306 285 1HB GLU 36 1HB GLU 36 -2.460 -4.074 -8.377 286 2HB GLU 36 2HB GLU 36 -1.326 -3.180 -9.400 287 1HG GLU 36 1HG GLU 36 -0.537 -5.442 -10.261 288 2HG GLU 36 2HG GLU 36 -1.867 -6.169 -9.368 289 H VAL 37 H VAL 37 1.016 -2.318 -6.915 290 HA VAL 37 HA VAL 37 -1.103 -1.282 -5.157 291 HB VAL 37 HB VAL 37 1.672 -1.891 -4.106 292 1HG1 VAL 37 1HG1 VAL 37 -0.748 -0.917 -2.532 293 2HG1 VAL 37 2HG1 VAL 37 0.869 -1.244 -1.923 294 3HG1 VAL 37 3HG1 VAL 37 0.603 0.126 -3.011 295 1HG2 VAL 37 1HG2 VAL 37 -1.037 -3.207 -3.607 296 2HG2 VAL 37 2HG2 VAL 37 0.430 -3.949 -4.283 297 3HG2 VAL 37 3HG2 VAL 37 0.376 -3.467 -2.581 298 H ASP 38 H ASP 38 -1.073 -0.018 -7.146 299 HA ASP 38 HA ASP 38 0.883 2.141 -7.363 300 1HB ASP 38 1HB ASP 38 -1.990 1.914 -8.389 301 2HB ASP 38 2HB ASP 38 -0.822 3.159 -8.803 302 H LEU 39 H LEU 39 0.936 3.803 -5.839 303 HA LEU 39 HA LEU 39 -1.234 3.995 -3.862 304 1HB LEU 39 1HB LEU 39 1.355 5.546 -4.198 305 2HB LEU 39 2HB LEU 39 0.118 5.800 -2.942 306 HG LEU 39 HG LEU 39 0.487 3.263 -2.413 307 1HD1 LEU 39 1HD1 LEU 39 3.151 3.982 -3.700 308 2HD1 LEU 39 2HD1 LEU 39 2.844 2.546 -2.714 309 3HD1 LEU 39 3HD1 LEU 39 2.049 2.722 -4.281 310 1HD2 LEU 39 1HD2 LEU 39 2.532 5.425 -1.764 311 2HD2 LEU 39 2HD2 LEU 39 1.005 5.147 -0.897 312 3HD2 LEU 39 3HD2 LEU 39 2.304 3.944 -0.818 313 H LEU 40 H LEU 40 -2.795 5.585 -3.915 314 HA LEU 40 HA LEU 40 -3.000 7.150 -6.444 315 1HB LEU 40 1HB LEU 40 -3.859 4.645 -6.381 316 2HB LEU 40 2HB LEU 40 -5.175 5.325 -5.442 317 HG LEU 40 HG LEU 40 -5.838 5.101 -7.715 318 1HD1 LEU 40 1HD1 LEU 40 -5.291 8.075 -7.356 319 2HD1 LEU 40 2HD1 LEU 40 -6.532 7.322 -8.360 320 3HD1 LEU 40 3HD1 LEU 40 -6.631 7.179 -6.595 321 1HD2 LEU 40 1HD2 LEU 40 -3.524 5.085 -8.690 322 2HD2 LEU 40 2HD2 LEU 40 -4.710 6.024 -9.621 323 3HD2 LEU 40 3HD2 LEU 40 -3.532 6.858 -8.607 324 H LYS 41 H LYS 41 -3.538 9.251 -5.831 325 HA LYS 41 HA LYS 41 -4.685 9.734 -3.297 326 1HB LYS 41 1HB LYS 41 -4.189 11.542 -5.673 327 2HB LYS 41 2HB LYS 41 -4.380 12.041 -3.970 328 1HG LYS 41 1HG LYS 41 -2.400 11.064 -3.299 329 2HG LYS 41 2HG LYS 41 -2.142 10.118 -4.763 330 1HD LYS 41 1HD LYS 41 -0.740 12.030 -4.668 331 2HD LYS 41 2HD LYS 41 -1.734 12.036 -6.119 332 1HE LYS 41 1HE LYS 41 -3.216 13.682 -5.285 333 2HE LYS 41 2HE LYS 41 -2.608 13.490 -3.625 334 1HZ LYS 41 1HZ LYS 41 -0.573 14.493 -4.299 335 2HZ LYS 41 2HZ LYS 41 -1.104 14.651 -5.862 336 3HZ LYS 41 3HZ LYS 41 -1.850 15.485 -4.633 337 H ASN 42 H ASN 42 -6.174 12.088 -4.687 338 HA ASN 42 HA ASN 42 -8.859 11.078 -4.484 339 1HB ASN 42 1HB ASN 42 -9.497 13.312 -5.196 340 2HB ASN 42 2HB ASN 42 -8.208 13.456 -3.996 341 1HD2 ASN 42 2HD2 ASN 42 -5.932 13.907 -4.853 342 2HD2 ASN 42 1HD2 ASN 42 -5.773 14.692 -6.408 343 H GLY 43 H GLY 43 -6.673 11.874 -7.182 344 1HA GLY 43 1HA GLY 43 -7.707 9.757 -8.816 345 2HA GLY 43 2HA GLY 43 -8.277 11.337 -9.395 346 H GLU 44 H GLU 44 -5.164 10.891 -7.751 347 HA GLU 44 HA GLU 44 -3.645 11.192 -10.309 348 1HB GLU 44 1HB GLU 44 -3.940 13.376 -9.208 349 2HB GLU 44 2HB GLU 44 -3.345 12.711 -7.686 350 1HG GLU 44 1HG GLU 44 -1.137 12.232 -8.843 351 2HG GLU 44 2HG GLU 44 -1.771 13.075 -10.269 352 H ARG 45 H ARG 45 -2.106 9.603 -10.461 353 HA ARG 45 HA ARG 45 -1.592 7.816 -8.224 354 1HB ARG 45 1HB ARG 45 -1.577 7.268 -10.791 355 2HB ARG 45 2HB ARG 45 0.056 7.955 -10.748 356 1HG ARG 45 1HG ARG 45 0.419 6.267 -8.727 357 2HG ARG 45 2HG ARG 45 -1.072 5.528 -9.312 358 1HD ARG 45 1HD ARG 45 0.706 4.323 -10.284 359 2HD ARG 45 2HD ARG 45 0.088 5.319 -11.596 360 HE ARG 45 HE ARG 45 2.597 5.643 -9.983 361 1HH1 ARG 45 1HH2 ARG 45 0.757 6.763 -12.825 362 2HH1 ARG 45 2HH2 ARG 45 2.121 7.620 -13.494 363 1HH2 ARG 45 1HH1 ARG 45 4.337 6.742 -10.890 364 2HH2 ARG 45 2HH1 ARG 45 4.155 7.625 -12.385 365 H ILE 46 H ILE 46 0.348 7.642 -6.964 366 HA ILE 46 HA ILE 46 1.904 10.012 -6.607 367 HB ILE 46 HB ILE 46 2.177 7.118 -5.705 368 1HG1 ILE 46 1HG1 ILE 46 -0.023 8.101 -4.981 369 2HG1 ILE 46 2HG1 ILE 46 1.060 7.686 -3.656 370 1HG2 ILE 46 1HG2 ILE 46 4.237 8.381 -5.450 371 2HG2 ILE 46 2HG2 ILE 46 3.362 9.673 -4.597 372 3HG2 ILE 46 3HG2 ILE 46 3.481 8.033 -3.883 373 1HD1 ILE 46 1HD1 ILE 46 0.863 10.522 -4.652 374 2HD1 ILE 46 2HD1 ILE 46 -0.233 9.796 -3.467 375 3HD1 ILE 46 3HD1 ILE 46 1.502 9.888 -3.112 376 H GLU 47 H GLU 47 3.674 10.504 -7.755 377 HA GLU 47 HA GLU 47 4.785 8.621 -9.733 378 1HB GLU 47 1HB GLU 47 5.461 11.524 -9.137 379 2HB GLU 47 2HB GLU 47 6.199 10.512 -10.395 380 1HG GLU 47 1HG GLU 47 3.885 10.098 -11.331 381 2HG GLU 47 2HG GLU 47 3.267 11.321 -10.207 382 H LYS 48 H LYS 48 5.939 10.401 -6.808 383 HA LYS 48 HA LYS 48 8.480 8.966 -6.921 384 1HB LYS 48 1HB LYS 48 7.834 11.487 -6.192 385 2HB LYS 48 2HB LYS 48 7.840 10.759 -4.595 386 1HG LYS 48 1HG LYS 48 10.086 10.745 -6.664 387 2HG LYS 48 2HG LYS 48 9.991 11.742 -5.209 388 1HD LYS 48 1HD LYS 48 10.182 9.746 -3.774 389 2HD LYS 48 2HD LYS 48 10.170 8.694 -5.196 390 1HE LYS 48 1HE LYS 48 12.451 8.937 -4.448 391 2HE LYS 48 2HE LYS 48 12.266 9.734 -6.018 392 1HZ LYS 48 1HZ LYS 48 12.118 11.824 -4.855 393 2HZ LYS 48 2HZ LYS 48 12.318 11.071 -3.401 394 3HZ LYS 48 3HZ LYS 48 13.531 11.055 -4.515 395 H VAL 49 H VAL 49 6.934 6.988 -6.795 396 HA VAL 49 HA VAL 49 6.465 6.055 -4.026 397 HB VAL 49 HB VAL 49 6.245 4.605 -6.702 398 1HG1 VAL 49 1HG1 VAL 49 5.539 3.733 -3.864 399 2HG1 VAL 49 2HG1 VAL 49 4.991 2.895 -5.330 400 3HG1 VAL 49 3HG1 VAL 49 6.715 2.972 -4.960 401 1HG2 VAL 49 1HG2 VAL 49 4.542 6.323 -6.476 402 2HG2 VAL 49 2HG2 VAL 49 3.805 4.731 -6.288 403 3HG2 VAL 49 3HG2 VAL 49 4.108 5.737 -4.854 404 H GLU 50 H GLU 50 7.940 4.829 -2.898 405 HA GLU 50 HA GLU 50 10.187 3.583 -4.367 406 1HB GLU 50 1HB GLU 50 10.761 5.684 -2.934 407 2HB GLU 50 2HB GLU 50 10.447 4.633 -1.540 408 1HG GLU 50 1HG GLU 50 12.185 3.084 -2.284 409 2HG GLU 50 2HG GLU 50 12.417 4.036 -3.766 410 H HIS 51 H HIS 51 10.935 1.604 -3.100 411 HA HIS 51 HA HIS 51 9.061 0.550 -1.145 412 1HB HIS 51 1HB HIS 51 8.610 -1.522 -2.599 413 2HB HIS 51 2HB HIS 51 7.758 -0.049 -3.054 414 HD2 HIS 51 HD2 HIS 51 11.243 -1.575 -4.259 415 HE1 HIS 51 HE1 HIS 51 9.024 -0.146 -7.565 416 HE2 HIS 51 HE2 HIS 51 11.196 -1.294 -6.857 417 H SER 52 H SER 52 9.696 -1.614 -0.430 418 HA SER 52 HA SER 52 12.609 -1.860 -0.212 419 1HB SER 52 1HB SER 52 12.108 -3.680 1.326 420 2HB SER 52 2HB SER 52 11.086 -2.287 1.713 421 HG SER 52 HG SER 52 10.361 -4.619 0.253 422 H ASP 53 H ASP 53 13.491 -4.190 -0.521 423 HA ASP 53 HA ASP 53 13.023 -5.283 -3.139 424 1HB ASP 53 1HB ASP 53 15.139 -5.564 -1.899 425 2HB ASP 53 2HB ASP 53 14.291 -6.437 -0.613 426 H LEU 54 H LEU 54 12.173 -7.539 -3.472 427 HA LEU 54 HA LEU 54 9.679 -8.042 -2.045 428 1HB LEU 54 1HB LEU 54 10.021 -8.651 -4.463 429 2HB LEU 54 2HB LEU 54 11.137 -9.912 -3.936 430 HG LEU 54 HG LEU 54 9.062 -10.913 -4.332 431 1HD1 LEU 54 1HD1 LEU 54 10.132 -11.725 -2.262 432 2HD1 LEU 54 2HD1 LEU 54 9.010 -10.690 -1.324 433 3HD1 LEU 54 3HD1 LEU 54 8.385 -11.974 -2.313 434 1HD2 LEU 54 1HD2 LEU 54 7.677 -8.864 -2.581 435 2HD2 LEU 54 2HD2 LEU 54 7.554 -9.024 -4.347 436 3HD2 LEU 54 3HD2 LEU 54 6.904 -10.271 -3.276 437 H SER 55 H SER 55 9.834 -8.657 -0.048 438 HA SER 55 HA SER 55 12.234 -10.120 0.974 439 1HB SER 55 1HB SER 55 11.867 -7.840 1.856 440 2HB SER 55 2HB SER 55 10.255 -8.314 2.417 441 HG SER 55 HG SER 55 11.848 -8.489 4.056 442 H PHE 56 H PHE 56 10.855 -11.966 -0.172 443 HA PHE 56 HA PHE 56 8.524 -12.867 1.236 444 1HB PHE 56 1HB PHE 56 8.682 -14.871 0.040 445 2HB PHE 56 2HB PHE 56 9.161 -13.622 -1.081 446 HD1 PHE 56 HD1 PHE 56 11.660 -13.356 -1.608 447 HD2 PHE 56 HD2 PHE 56 10.033 -16.696 0.567 448 HE1 PHE 56 HE1 PHE 56 13.803 -14.592 -1.909 449 HE2 PHE 56 HE2 PHE 56 12.175 -17.937 0.267 450 HZ PHE 56 HZ PHE 56 14.057 -16.882 -0.973 451 H SER 57 H SER 57 8.450 -13.644 3.319 452 HA SER 57 HA SER 57 10.899 -14.043 4.751 453 1HB SER 57 1HB SER 57 8.943 -13.339 5.955 454 2HB SER 57 2HB SER 57 8.091 -14.861 5.565 455 HG SER 57 HG SER 57 9.143 -14.880 7.627 456 H LYS 58 H LYS 58 11.865 -15.943 5.395 457 HA LYS 58 HA LYS 58 11.468 -18.416 3.896 458 1HB LYS 58 1HB LYS 58 13.189 -17.588 6.262 459 2HB LYS 58 2HB LYS 58 13.218 -19.222 5.571 460 1HG LYS 58 1HG LYS 58 14.013 -18.448 3.455 461 2HG LYS 58 2HG LYS 58 13.654 -16.759 3.836 462 1HD LYS 58 1HD LYS 58 15.396 -16.793 5.625 463 2HD LYS 58 2HD LYS 58 15.780 -18.467 5.190 464 1HE LYS 58 1HE LYS 58 17.396 -17.000 4.134 465 2HE LYS 58 2HE LYS 58 16.367 -17.694 2.871 466 1HZ LYS 58 1HZ LYS 58 16.101 -15.010 4.044 467 2HZ LYS 58 2HZ LYS 58 16.714 -15.360 2.557 468 3HZ LYS 58 3HZ LYS 58 15.124 -15.634 2.874 469 H ASP 59 H ASP 59 9.997 -16.952 6.672 470 HA ASP 59 HA ASP 59 8.895 -19.466 7.623 471 1HB ASP 59 1HB ASP 59 8.080 -16.589 8.242 472 2HB ASP 59 2HB ASP 59 7.626 -18.024 9.161 473 H TRP 60 H TRP 60 8.476 -19.342 4.933 474 HA TRP 60 HA TRP 60 6.998 -19.340 3.232 475 1HB TRP 60 1HB TRP 60 5.222 -20.374 5.465 476 2HB TRP 60 2HB TRP 60 4.940 -20.577 3.735 477 HD1 TRP 60 HD1 TRP 60 7.174 -21.793 6.548 478 HE1 TRP 60 HE1 TRP 60 8.529 -23.859 5.777 479 HE3 TRP 60 HE3 TRP 60 5.945 -21.785 1.576 480 HZ2 TRP 60 HZ2 TRP 60 9.040 -25.260 3.344 481 HZ3 TRP 60 HZ3 TRP 60 6.890 -23.495 0.058 482 HH2 TRP 60 HH2 TRP 60 8.448 -25.224 0.924 483 H SER 61 H SER 61 6.988 -17.030 2.890 484 HA SER 61 HA SER 61 4.245 -16.085 2.802 485 1HB SER 61 1HB SER 61 5.139 -15.293 5.083 486 2HB SER 61 2HB SER 61 6.293 -14.298 4.177 487 HG SER 61 HG SER 61 3.470 -14.248 3.853 488 H PHE 62 H PHE 62 4.651 -13.559 1.930 489 HA PHE 62 HA PHE 62 6.809 -13.278 0.024 490 1HB PHE 62 1HB PHE 62 4.728 -14.836 -0.922 491 2HB PHE 62 2HB PHE 62 4.183 -13.225 -1.389 492 HD1 PHE 62 HD1 PHE 62 5.291 -12.022 -3.192 493 HD2 PHE 62 HD2 PHE 62 6.929 -15.702 -1.647 494 HE1 PHE 62 HE1 PHE 62 7.001 -12.009 -4.938 495 HE2 PHE 62 HE2 PHE 62 8.556 -15.764 -3.475 496 HZ PHE 62 HZ PHE 62 8.669 -13.869 -5.108 497 H TYR 63 H TYR 63 7.115 -10.967 0.192 498 HA TYR 63 HA TYR 63 4.773 -9.223 0.279 499 1HB TYR 63 1HB TYR 63 5.193 -8.332 2.555 500 2HB TYR 63 2HB TYR 63 4.688 -10.018 2.514 501 HD1 TYR 63 HD1 TYR 63 5.702 -11.647 3.727 502 HD2 TYR 63 HD2 TYR 63 7.643 -7.881 2.973 503 HE1 TYR 63 HE1 TYR 63 7.221 -12.069 5.574 504 HE2 TYR 63 HE2 TYR 63 9.291 -8.354 4.713 505 HH TYR 63 HH TYR 63 9.208 -11.395 6.667 506 H LEU 64 H LEU 64 5.440 -6.976 0.988 507 HA LEU 64 HA LEU 64 8.089 -6.037 0.583 508 1HB LEU 64 1HB LEU 64 7.934 -5.069 -1.622 509 2HB LEU 64 2HB LEU 64 7.739 -6.804 -1.741 510 HG LEU 64 HG LEU 64 5.638 -4.664 -2.006 511 1HD1 LEU 64 1HD1 LEU 64 6.503 -6.876 -3.931 512 2HD1 LEU 64 2HD1 LEU 64 5.267 -5.672 -4.259 513 3HD1 LEU 64 3HD1 LEU 64 6.950 -5.156 -4.072 514 1HD2 LEU 64 1HD2 LEU 64 5.297 -7.670 -1.808 515 2HD2 LEU 64 2HD2 LEU 64 4.367 -6.420 -0.923 516 3HD2 LEU 64 3HD2 LEU 64 4.108 -6.699 -2.643 517 H LEU 65 H LEU 65 8.193 -3.824 0.985 518 HA LEU 65 HA LEU 65 5.728 -2.576 2.069 519 1HB LEU 65 1HB LEU 65 8.010 -3.134 3.311 520 2HB LEU 65 2HB LEU 65 8.582 -1.674 2.507 521 HG LEU 65 HG LEU 65 6.261 -1.984 4.470 522 1HD1 LEU 65 1HD1 LEU 65 8.930 -0.555 4.658 523 2HD1 LEU 65 2HD1 LEU 65 7.678 -0.584 5.913 524 3HD1 LEU 65 3HD1 LEU 65 8.498 -2.086 5.445 525 1HD2 LEU 65 1HD2 LEU 65 7.095 0.366 2.765 526 2HD2 LEU 65 2HD2 LEU 65 5.467 -0.234 3.109 527 3HD2 LEU 65 3HD2 LEU 65 6.358 0.635 4.360 528 H TYR 66 H TYR 66 4.987 -0.650 1.108 529 HA TYR 66 HA TYR 66 6.541 0.408 -1.193 530 1HB TYR 66 1HB TYR 66 3.519 0.082 -1.204 531 2HB TYR 66 2HB TYR 66 4.597 0.336 -2.556 532 HD1 TYR 66 HD1 TYR 66 4.931 -1.575 -3.977 533 HD2 TYR 66 HD2 TYR 66 3.778 -2.258 0.142 534 HE1 TYR 66 HE1 TYR 66 3.832 -3.695 -4.598 535 HE2 TYR 66 HE2 TYR 66 2.827 -4.412 -0.500 536 HH TYR 66 HH TYR 66 2.298 -5.272 -3.947 537 H TYR 67 H TYR 67 7.184 2.238 -0.123 538 HA TYR 67 HA TYR 67 5.120 3.944 1.143 539 1HB TYR 67 1HB TYR 67 7.200 4.938 2.259 540 2HB TYR 67 2HB TYR 67 6.468 3.434 2.738 541 HD1 TYR 67 HD1 TYR 67 8.178 2.177 3.702 542 HD2 TYR 67 HD2 TYR 67 8.911 4.104 -0.063 543 HE1 TYR 67 HE1 TYR 67 10.236 0.826 3.407 544 HE2 TYR 67 HE2 TYR 67 10.961 2.754 -0.359 545 HH TYR 67 HH TYR 67 12.287 1.063 0.491 546 H THR 68 H THR 68 5.106 6.097 0.922 547 HA THR 68 HA THR 68 6.956 7.470 -1.001 548 HB THR 68 HB THR 68 4.965 6.860 -2.113 549 HG1 THR 68 HG1 THR 68 6.132 8.693 -2.684 550 1HG2 THR 68 1HG2 THR 68 2.849 8.023 -1.670 551 2HG2 THR 68 2HG2 THR 68 3.309 7.015 -0.286 552 3HG2 THR 68 3HG2 THR 68 3.531 8.781 -0.228 553 H GLU 69 H GLU 69 7.019 9.868 -0.675 554 HA GLU 69 HA GLU 69 6.648 10.796 2.116 555 1HB GLU 69 1HB GLU 69 8.078 11.921 -0.288 556 2HB GLU 69 2HB GLU 69 7.998 12.717 1.300 557 1HG GLU 69 1HG GLU 69 9.073 10.806 2.330 558 2HG GLU 69 2HG GLU 69 9.232 9.984 0.760 559 H PHE 70 H PHE 70 4.205 10.686 1.728 560 HA PHE 70 HA PHE 70 3.071 12.368 -0.291 561 1HB PHE 70 1HB PHE 70 1.017 11.682 0.401 562 2HB PHE 70 2HB PHE 70 2.001 10.265 0.738 563 HD1 PHE 70 HD1 PHE 70 2.946 10.346 3.272 564 HD2 PHE 70 HD2 PHE 70 -0.580 12.432 1.955 565 HE1 PHE 70 HE1 PHE 70 1.940 10.122 5.536 566 HE2 PHE 70 HE2 PHE 70 -1.218 12.759 4.313 567 HZ PHE 70 HZ PHE 70 0.008 11.562 6.119 568 H THR 71 H THR 71 2.199 14.308 -0.207 569 HA THR 71 HA THR 71 2.204 15.920 2.296 570 HB THR 71 HB THR 71 2.140 16.860 -0.550 571 HG1 THR 71 HG1 THR 71 4.318 17.339 -0.065 572 1HG2 THR 71 1HG2 THR 71 2.687 18.244 2.114 573 2HG2 THR 71 2HG2 THR 71 2.782 18.998 0.514 574 3HG2 THR 71 3HG2 THR 71 1.216 18.457 1.145 575 HA PRO 72 HA PRO 72 -2.355 15.393 1.418 576 1HB PRO 72 1HB PRO 72 -3.345 15.866 3.902 577 2HB PRO 72 2HB PRO 72 -2.555 14.342 3.446 578 1HG PRO 72 1HG PRO 72 -1.369 16.684 4.938 579 2HG PRO 72 2HG PRO 72 -1.181 14.958 5.314 580 1HD PRO 72 1HD PRO 72 0.648 16.528 3.911 581 2HD PRO 72 2HD PRO 72 0.539 14.755 3.721 582 H THR 73 H THR 73 -1.847 17.301 0.070 583 HA THR 73 HA THR 73 -1.863 19.965 1.056 584 HB THR 73 HB THR 73 -2.367 20.584 -1.310 585 HG1 THR 73 HG1 THR 73 -2.389 17.766 -1.663 586 1HG2 THR 73 1HG2 THR 73 -0.255 19.775 -2.229 587 2HG2 THR 73 2HG2 THR 73 -0.031 20.220 -0.526 588 3HG2 THR 73 3HG2 THR 73 -0.154 18.508 -0.995 589 H GLU 74 H GLU 74 -3.459 20.697 2.306 590 HA GLU 74 HA GLU 74 -5.431 21.222 3.154 591 1HB GLU 74 1HB GLU 74 -5.685 22.434 1.023 592 2HB GLU 74 2HB GLU 74 -6.531 21.061 0.314 593 1HG GLU 74 1HG GLU 74 -8.282 21.268 2.122 594 2HG GLU 74 2HG GLU 74 -7.405 22.666 2.760 595 H LYS 75 H LYS 75 -7.234 19.307 0.820 596 HA LYS 75 HA LYS 75 -7.512 17.050 2.735 597 1HB LYS 75 1HB LYS 75 -9.400 18.546 3.057 598 2HB LYS 75 2HB LYS 75 -9.749 18.567 1.333 599 1HG LYS 75 1HG LYS 75 -9.692 15.823 2.454 600 2HG LYS 75 2HG LYS 75 -10.831 16.855 3.303 601 1HD LYS 75 1HD LYS 75 -12.119 17.339 1.418 602 2HD LYS 75 2HD LYS 75 -10.872 16.859 0.271 603 1HE LYS 75 1HE LYS 75 -12.403 14.926 2.069 604 2HE LYS 75 2HE LYS 75 -12.723 15.252 0.356 605 1HZ LYS 75 1HZ LYS 75 -10.353 13.958 1.495 606 2HZ LYS 75 2HZ LYS 75 -11.432 13.358 0.425 607 3HZ LYS 75 3HZ LYS 75 -10.391 14.553 -0.041 608 H ASP 76 H ASP 76 -5.785 17.463 0.372 609 HA ASP 76 HA ASP 76 -6.824 15.756 -1.715 610 1HB ASP 76 1HB ASP 76 -4.932 17.336 -1.974 611 2HB ASP 76 2HB ASP 76 -3.946 16.249 -0.982 612 H GLU 77 H GLU 77 -7.448 13.724 -1.275 613 HA GLU 77 HA GLU 77 -6.627 12.334 1.143 614 1HB GLU 77 1HB GLU 77 -8.973 12.487 -0.099 615 2HB GLU 77 2HB GLU 77 -8.333 11.158 -1.061 616 1HG GLU 77 1HG GLU 77 -9.593 10.183 0.712 617 2HG GLU 77 2HG GLU 77 -7.901 9.929 1.149 618 H TYR 78 H TYR 78 -5.548 10.268 1.183 619 HA TYR 78 HA TYR 78 -4.158 9.409 -1.315 620 1HB TYR 78 1HB TYR 78 -2.987 9.934 1.397 621 2HB TYR 78 2HB TYR 78 -2.258 8.798 0.260 622 HD1 TYR 78 HD1 TYR 78 -0.589 9.658 -1.209 623 HD2 TYR 78 HD2 TYR 78 -3.510 12.312 0.486 624 HE1 TYR 78 HE1 TYR 78 0.589 11.632 -2.179 625 HE2 TYR 78 HE2 TYR 78 -2.495 14.225 -0.725 626 HH TYR 78 HH TYR 78 0.581 13.858 -2.549 627 H ALA 79 H ALA 79 -4.006 7.256 -1.659 628 HA ALA 79 HA ALA 79 -5.042 5.337 0.320 629 1HB ALA 79 1HB ALA 79 -7.042 6.208 -0.931 630 2HB ALA 79 2HB ALA 79 -6.275 5.737 -2.455 631 3HB ALA 79 3HB ALA 79 -6.727 4.498 -1.290 632 H CYS 80 H CYS 80 -5.009 3.084 -0.718 633 HA CYS 80 HA CYS 80 -2.565 2.731 -2.416 634 1HB CYS 80 1HB CYS 80 -3.602 0.826 -0.307 635 2HB CYS 80 2HB CYS 80 -2.064 0.750 -1.162 636 H ARG 81 H ARG 81 -3.003 1.592 -4.327 637 HA ARG 81 HA ARG 81 -5.523 0.194 -4.789 638 1HB ARG 81 1HB ARG 81 -4.116 0.971 -6.670 639 2HB ARG 81 2HB ARG 81 -2.796 -0.048 -6.084 640 1HG ARG 81 1HG ARG 81 -4.305 -2.081 -6.417 641 2HG ARG 81 2HG ARG 81 -5.456 -1.006 -7.207 642 1HD ARG 81 1HD ARG 81 -2.603 -1.605 -8.064 643 2HD ARG 81 2HD ARG 81 -4.095 -2.244 -8.787 644 HE ARG 81 HE ARG 81 -3.810 0.683 -8.723 645 1HH1 ARG 81 1HH2 ARG 81 -3.371 -2.275 -10.720 646 2HH1 ARG 81 2HH2 ARG 81 -3.103 -1.350 -12.166 647 1HH2 ARG 81 1HH1 ARG 81 -3.362 1.812 -10.650 648 2HH2 ARG 81 2HH1 ARG 81 -3.117 0.942 -12.142 649 H VAL 82 H VAL 82 -5.911 -2.059 -4.154 650 HA VAL 82 HA VAL 82 -3.491 -3.637 -3.498 651 HB VAL 82 HB VAL 82 -6.066 -3.736 -1.884 652 1HG1 VAL 82 1HG1 VAL 82 -4.738 -5.862 -2.217 653 2HG1 VAL 82 2HG1 VAL 82 -3.339 -5.036 -1.496 654 3HG1 VAL 82 3HG1 VAL 82 -4.820 -5.317 -0.542 655 1HG2 VAL 82 1HG2 VAL 82 -4.883 -1.666 -1.281 656 2HG2 VAL 82 2HG2 VAL 82 -4.695 -2.867 -0.006 657 3HG2 VAL 82 3HG2 VAL 82 -3.354 -2.561 -1.126 658 H ASN 83 H ASN 83 -3.474 -4.706 -5.404 659 HA ASN 83 HA ASN 83 -5.724 -6.611 -5.763 660 1HB ASN 83 1HB ASN 83 -5.975 -4.829 -7.461 661 2HB ASN 83 2HB ASN 83 -4.362 -5.167 -8.065 662 1HD2 ASN 83 2HD2 ASN 83 -7.365 -7.004 -7.195 663 2HD2 ASN 83 1HD2 ASN 83 -7.268 -8.123 -8.533 664 H HIS 84 H HIS 84 -4.459 -8.176 -4.688 665 HA HIS 84 HA HIS 84 -1.870 -9.090 -5.799 666 1HB HIS 84 1HB HIS 84 -2.379 -9.519 -3.468 667 2HB HIS 84 2HB HIS 84 -3.883 -10.327 -3.912 668 HD2 HIS 84 HD2 HIS 84 0.001 -10.967 -4.426 669 HE1 HIS 84 HE1 HIS 84 -2.146 -14.611 -4.698 670 HE2 HIS 84 HE2 HIS 84 0.208 -13.553 -4.705 671 H VAL 85 H VAL 85 -1.889 -11.064 -7.197 672 HA VAL 85 HA VAL 85 -3.709 -10.998 -9.252 673 HB VAL 85 HB VAL 85 -1.555 -12.054 -9.397 674 1HG1 VAL 85 1HG1 VAL 85 -1.486 -13.332 -7.285 675 2HG1 VAL 85 2HG1 VAL 85 -2.725 -14.448 -7.910 676 3HG1 VAL 85 3HG1 VAL 85 -1.133 -14.357 -8.680 677 1HG2 VAL 85 1HG2 VAL 85 -3.269 -12.538 -11.102 678 2HG2 VAL 85 2HG2 VAL 85 -2.122 -13.874 -10.895 679 3HG2 VAL 85 3HG2 VAL 85 -3.749 -13.996 -10.201 680 H THR 86 H THR 86 -4.083 -12.869 -6.239 681 HA THR 86 HA THR 86 -6.355 -14.311 -7.317 682 HB THR 86 HB THR 86 -4.611 -15.147 -5.637 683 HG1 THR 86 HG1 THR 86 -6.419 -16.260 -6.437 684 1HG2 THR 86 1HG2 THR 86 -6.727 -14.251 -3.657 685 2HG2 THR 86 2HG2 THR 86 -5.158 -15.026 -3.344 686 3HG2 THR 86 3HG2 THR 86 -5.221 -13.337 -3.890 687 H LEU 87 H LEU 87 -6.080 -11.140 -5.894 688 HA LEU 87 HA LEU 87 -8.858 -11.021 -4.986 689 1HB LEU 87 1HB LEU 87 -6.656 -9.028 -5.480 690 2HB LEU 87 2HB LEU 87 -8.320 -8.480 -5.577 691 HG LEU 87 HG LEU 87 -8.823 -9.201 -3.338 692 1HD1 LEU 87 1HD1 LEU 87 -5.930 -10.116 -3.185 693 2HD1 LEU 87 2HD1 LEU 87 -7.059 -10.007 -1.817 694 3HD1 LEU 87 3HD1 LEU 87 -7.351 -11.171 -3.118 695 1HD2 LEU 87 1HD2 LEU 87 -7.890 -6.950 -3.707 696 2HD2 LEU 87 2HD2 LEU 87 -7.366 -7.586 -2.137 697 3HD2 LEU 87 3HD2 LEU 87 -6.241 -7.582 -3.510 698 H SER 88 H SER 88 -10.429 -11.464 -6.388 699 HA SER 88 HA SER 88 -10.255 -10.871 -9.242 700 1HB SER 88 1HB SER 88 -12.560 -11.867 -7.527 701 2HB SER 88 2HB SER 88 -12.508 -11.835 -9.301 702 HG SER 88 HG SER 88 -10.692 -13.252 -7.636 703 H GLN 89 H GLN 89 -10.500 -8.756 -6.757 704 HA GLN 89 HA GLN 89 -11.901 -6.790 -8.382 705 1HB GLN 89 1HB GLN 89 -13.121 -5.967 -6.356 706 2HB GLN 89 2HB GLN 89 -13.752 -7.439 -7.106 707 1HG GLN 89 1HG GLN 89 -12.819 -8.832 -5.350 708 2HG GLN 89 2HG GLN 89 -11.946 -7.460 -4.659 709 1HE2 GLN 89 2HE2 GLN 89 -15.355 -8.285 -5.564 710 2HE2 GLN 89 1HE2 GLN 89 -16.051 -7.563 -4.130 711 HA PRO 90 HA PRO 90 -8.099 -5.044 -6.622 712 1HB PRO 90 1HB PRO 90 -7.897 -2.747 -8.055 713 2HB PRO 90 2HB PRO 90 -7.677 -4.349 -8.815 714 1HG PRO 90 1HG PRO 90 -10.183 -2.675 -8.850 715 2HG PRO 90 2HG PRO 90 -9.361 -3.473 -10.218 716 1HD PRO 90 1HD PRO 90 -11.479 -4.606 -8.893 717 2HD PRO 90 2HD PRO 90 -10.151 -5.600 -9.571 718 H LYS 91 H LYS 91 -8.316 -4.391 -4.542 719 HA LYS 91 HA LYS 91 -10.550 -2.693 -3.677 720 1HB LYS 91 1HB LYS 91 -8.319 -4.201 -2.262 721 2HB LYS 91 2HB LYS 91 -9.460 -3.147 -1.419 722 1HG LYS 91 1HG LYS 91 -11.354 -4.508 -2.268 723 2HG LYS 91 2HG LYS 91 -10.188 -5.596 -3.057 724 1HD LYS 91 1HD LYS 91 -9.169 -6.102 -0.842 725 2HD LYS 91 2HD LYS 91 -10.269 -4.955 -0.065 726 1HE LYS 91 1HE LYS 91 -11.022 -7.278 0.252 727 2HE LYS 91 2HE LYS 91 -12.212 -6.308 -0.634 728 1HZ LYS 91 1HZ LYS 91 -11.522 -7.298 -2.633 729 2HZ LYS 91 2HZ LYS 91 -10.282 -8.117 -1.911 730 3HZ LYS 91 3HZ LYS 91 -11.849 -8.502 -1.561 731 H ILE 92 H ILE 92 -10.117 -0.565 -4.443 732 HA ILE 92 HA ILE 92 -7.522 0.643 -3.871 733 HB ILE 92 HB ILE 92 -9.973 2.095 -4.890 734 1HG1 ILE 92 1HG1 ILE 92 -9.842 0.254 -6.406 735 2HG1 ILE 92 2HG1 ILE 92 -9.209 1.702 -7.176 736 1HG2 ILE 92 1HG2 ILE 92 -6.953 2.483 -5.139 737 2HG2 ILE 92 2HG2 ILE 92 -8.171 3.461 -5.982 738 3HG2 ILE 92 3HG2 ILE 92 -8.081 3.481 -4.212 739 1HD1 ILE 92 1HD1 ILE 92 -6.891 0.920 -6.797 740 2HD1 ILE 92 2HD1 ILE 92 -7.519 -0.556 -6.019 741 3HD1 ILE 92 3HD1 ILE 92 -7.848 -0.242 -7.730 742 H VAL 93 H VAL 93 -7.931 -0.012 -1.511 743 HA VAL 93 HA VAL 93 -9.914 1.589 -0.058 744 HB VAL 93 HB VAL 93 -8.009 -0.640 0.698 745 1HG1 VAL 93 1HG1 VAL 93 -9.899 0.916 2.519 746 2HG1 VAL 93 2HG1 VAL 93 -9.188 -0.663 2.910 747 3HG1 VAL 93 3HG1 VAL 93 -8.137 0.735 2.695 748 1HG2 VAL 93 1HG2 VAL 93 -11.058 -0.440 0.715 749 2HG2 VAL 93 2HG2 VAL 93 -10.126 -1.136 -0.618 750 3HG2 VAL 93 3HG2 VAL 93 -10.082 -1.897 0.984 751 H LYS 94 H LYS 94 -9.528 3.186 1.394 752 HA LYS 94 HA LYS 94 -7.277 4.854 0.945 753 1HB LYS 94 1HB LYS 94 -8.225 6.326 2.560 754 2HB LYS 94 2HB LYS 94 -9.525 5.679 1.553 755 1HG LYS 94 1HG LYS 94 -10.106 4.060 3.365 756 2HG LYS 94 2HG LYS 94 -8.782 4.704 4.357 757 1HD LYS 94 1HD LYS 94 -9.828 6.960 4.277 758 2HD LYS 94 2HD LYS 94 -11.206 6.269 3.391 759 1HE LYS 94 1HE LYS 94 -11.693 4.763 5.284 760 2HE LYS 94 2HE LYS 94 -10.262 5.353 6.153 761 1HZ LYS 94 1HZ LYS 94 -11.248 7.504 6.243 762 2HZ LYS 94 2HZ LYS 94 -12.577 6.996 5.408 763 3HZ LYS 94 3HZ LYS 94 -12.263 6.392 6.910 764 H TRP 95 H TRP 95 -5.858 5.727 2.608 765 HA TRP 95 HA TRP 95 -4.579 3.664 4.247 766 1HB TRP 95 1HB TRP 95 -2.925 4.970 3.423 767 2HB TRP 95 2HB TRP 95 -3.976 6.317 3.148 768 HD1 TRP 95 HD1 TRP 95 -2.638 4.928 6.528 769 HE1 TRP 95 HE1 TRP 95 -1.806 6.984 7.895 770 HE3 TRP 95 HE3 TRP 95 -3.316 8.619 3.046 771 HZ2 TRP 95 HZ2 TRP 95 -1.895 9.820 7.654 772 HZ3 TRP 95 HZ3 TRP 95 -2.894 10.976 3.642 773 HH2 TRP 95 HH2 TRP 95 -2.377 11.601 5.977 774 H ASP 96 H ASP 96 -5.279 6.932 5.341 775 HA ASP 96 HA ASP 96 -7.324 6.616 7.203 776 1HB ASP 96 1HB ASP 96 -5.490 4.949 8.215 777 2HB ASP 96 2HB ASP 96 -4.613 6.420 8.592 778 H ARG 97 H ARG 97 -6.292 8.375 9.189 779 HA ARG 97 HA ARG 97 -4.315 10.084 8.233 780 1HB ARG 97 1HB ARG 97 -5.630 12.202 8.347 781 2HB ARG 97 2HB ARG 97 -5.818 11.237 6.880 782 1HG ARG 97 1HG ARG 97 -8.012 10.446 7.595 783 2HG ARG 97 2HG ARG 97 -7.849 11.288 9.154 784 1HD ARG 97 1HD ARG 97 -7.712 13.447 8.020 785 2HD ARG 97 2HD ARG 97 -7.767 12.674 6.436 786 HE ARG 97 HE ARG 97 -9.946 12.909 8.463 787 1HH1 ARG 97 1HH2 ARG 97 -9.094 11.952 5.102 788 2HH1 ARG 97 2HH2 ARG 97 -10.719 12.144 4.540 789 1HH2 ARG 97 1HH1 ARG 97 -12.061 13.077 7.676 790 2HH2 ARG 97 2HH1 ARG 97 -12.422 12.709 6.009 791 H ASP 98 H ASP 98 -3.197 10.469 9.989 792 HA ASP 98 HA ASP 98 -3.861 9.918 12.631 793 1HB ASP 98 1HB ASP 98 -1.575 10.232 11.780 794 2HB ASP 98 2HB ASP 98 -1.912 11.944 11.474 795 H MET 99 H MET 99 -4.363 12.919 10.758 796 HA MET 99 HA MET 99 -6.291 13.849 12.753 797 1HB MET 99 1HB MET 99 -4.073 14.834 13.417 798 2HB MET 99 2HB MET 99 -3.931 15.542 11.806 799 1HG MET 99 1HG MET 99 -4.703 17.199 13.416 800 2HG MET 99 2HG MET 99 -5.935 16.905 12.194 801 1HE MET 99 1HE MET 99 -4.824 16.518 15.892 802 2HE MET 99 2HE MET 99 -6.181 15.647 16.643 803 3HE MET 99 3HE MET 99 -5.084 14.790 15.543 Start of MODEL 7 1 1H MET 0 1H MET 0 -5.933 -21.734 -7.224 2 2H MET 0 2H MET 0 -5.306 -20.637 -6.173 3 3H MET 0 3H MET 0 -4.322 -21.786 -6.838 4 HA MET 0 HA MET 0 -6.504 -22.176 -4.943 5 1HB MET 0 1HB MET 0 -4.743 -24.290 -6.237 6 2HB MET 0 2HB MET 0 -5.870 -24.552 -4.892 7 1HG MET 0 1HG MET 0 -7.727 -23.663 -6.339 8 2HG MET 0 2HG MET 0 -6.597 -23.639 -7.702 9 1HE MET 0 1HE MET 0 -9.409 -24.989 -7.792 10 2HE MET 0 2HE MET 0 -8.279 -25.061 -9.165 11 3HE MET 0 3HE MET 0 -9.053 -26.547 -8.570 12 H ILE 1 H ILE 1 -5.863 -22.818 -2.855 13 HA ILE 1 HA ILE 1 -4.922 -22.142 -0.972 14 HB ILE 1 HB ILE 1 -2.241 -23.009 -2.055 15 1HG1 ILE 1 1HG1 ILE 1 -3.187 -25.175 -0.663 16 2HG1 ILE 1 2HG1 ILE 1 -4.698 -24.601 -1.358 17 1HG2 ILE 1 1HG2 ILE 1 -3.441 -23.080 0.752 18 2HG2 ILE 1 2HG2 ILE 1 -1.815 -23.614 0.289 19 3HG2 ILE 1 3HG2 ILE 1 -2.228 -21.907 0.215 20 1HD1 ILE 1 1HD1 ILE 1 -2.128 -25.344 -2.831 21 2HD1 ILE 1 2HD1 ILE 1 -3.635 -26.281 -2.779 22 3HD1 ILE 1 3HD1 ILE 1 -3.585 -24.734 -3.640 23 H GLN 2 H GLN 2 -5.550 -20.084 -2.502 24 HA GLN 2 HA GLN 2 -3.286 -18.224 -2.765 25 1HB GLN 2 1HB GLN 2 -4.957 -16.606 -3.508 26 2HB GLN 2 2HB GLN 2 -4.782 -18.010 -4.546 27 1HG GLN 2 1HG GLN 2 -7.066 -17.704 -2.526 28 2HG GLN 2 2HG GLN 2 -7.143 -17.134 -4.181 29 1HE2 GLN 2 2HE2 GLN 2 -8.071 -19.679 -2.316 30 2HE2 GLN 2 1HE2 GLN 2 -8.129 -20.924 -3.545 31 H ARG 3 H ARG 3 -2.613 -17.021 -1.144 32 HA ARG 3 HA ARG 3 -4.189 -16.751 1.334 33 1HB ARG 3 1HB ARG 3 -1.397 -15.971 0.502 34 2HB ARG 3 2HB ARG 3 -2.083 -15.663 2.113 35 1HG ARG 3 1HG ARG 3 -2.418 -18.123 2.399 36 2HG ARG 3 2HG ARG 3 -1.688 -18.408 0.798 37 1HD ARG 3 1HD ARG 3 0.373 -17.205 1.571 38 2HD ARG 3 2HD ARG 3 -0.391 -17.035 3.174 39 HE ARG 3 HE ARG 3 -0.294 -19.791 2.417 40 1HH1 ARG 3 1HH2 ARG 3 1.731 -17.067 3.407 41 2HH1 ARG 3 2HH2 ARG 3 2.834 -18.029 4.351 42 1HH2 ARG 3 1HH1 ARG 3 1.261 -21.108 3.551 43 2HH2 ARG 3 2HH1 ARG 3 2.623 -20.357 4.346 44 H THR 4 H THR 4 -5.051 -14.823 2.050 45 HA THR 4 HA THR 4 -5.617 -12.826 0.041 46 HB THR 4 HB THR 4 -6.341 -12.949 2.999 47 HG1 THR 4 HG1 THR 4 -7.111 -14.722 1.830 48 1HG2 THR 4 1HG2 THR 4 -8.209 -11.484 2.418 49 2HG2 THR 4 2HG2 THR 4 -6.685 -10.673 2.027 50 3HG2 THR 4 3HG2 THR 4 -7.673 -11.400 0.733 51 HA PRO 5 HA PRO 5 -2.179 -10.170 1.323 52 1HB PRO 5 1HB PRO 5 -2.952 -7.774 0.217 53 2HB PRO 5 2HB PRO 5 -2.321 -9.146 -0.737 54 1HG PRO 5 1HG PRO 5 -5.208 -8.382 -0.250 55 2HG PRO 5 2HG PRO 5 -4.419 -8.777 -1.803 56 1HD PRO 5 1HD PRO 5 -5.851 -10.610 -0.407 57 2HD PRO 5 2HD PRO 5 -4.365 -11.096 -1.272 58 H LYS 6 H LYS 6 -2.180 -9.959 3.513 59 HA LYS 6 HA LYS 6 -4.261 -8.523 4.965 60 1HB LYS 6 1HB LYS 6 -3.002 -10.455 5.945 61 2HB LYS 6 2HB LYS 6 -1.531 -9.465 5.906 62 1HG LYS 6 1HG LYS 6 -2.983 -7.695 7.179 63 2HG LYS 6 2HG LYS 6 -4.087 -9.038 7.494 64 1HD LYS 6 1HD LYS 6 -2.230 -10.286 8.592 65 2HD LYS 6 2HD LYS 6 -1.120 -8.951 8.240 66 1HE LYS 6 1HE LYS 6 -3.589 -8.800 10.033 67 2HE LYS 6 2HE LYS 6 -1.901 -8.853 10.566 68 1HZ LYS 6 1HZ LYS 6 -1.579 -6.779 9.315 69 2HZ LYS 6 2HZ LYS 6 -3.196 -6.698 9.053 70 3HZ LYS 6 3HZ LYS 6 -2.617 -6.634 10.594 71 H ILE 7 H ILE 7 -4.364 -6.407 4.700 72 HA ILE 7 HA ILE 7 -2.066 -4.748 4.016 73 HB ILE 7 HB ILE 7 -3.607 -3.019 3.686 74 1HG1 ILE 7 1HG1 ILE 7 -5.132 -3.099 5.534 75 2HG1 ILE 7 2HG1 ILE 7 -6.004 -3.131 4.014 76 1HG2 ILE 7 1HG2 ILE 7 -4.864 -5.564 2.600 77 2HG2 ILE 7 2HG2 ILE 7 -5.006 -3.925 1.947 78 3HG2 ILE 7 3HG2 ILE 7 -3.433 -4.740 1.954 79 1HD1 ILE 7 1HD1 ILE 7 -6.393 -5.594 4.286 80 2HD1 ILE 7 2HD1 ILE 7 -5.655 -5.483 5.903 81 3HD1 ILE 7 3HD1 ILE 7 -7.118 -4.574 5.534 82 H GLN 8 H GLN 8 -0.920 -3.379 5.479 83 HA GLN 8 HA GLN 8 -2.344 -2.433 7.857 84 1HB GLN 8 1HB GLN 8 -0.117 -2.736 9.005 85 2HB GLN 8 2HB GLN 8 -1.178 -4.139 8.910 86 1HG GLN 8 1HG GLN 8 1.114 -3.678 6.971 87 2HG GLN 8 2HG GLN 8 1.345 -4.460 8.541 88 1HE2 GLN 8 2HE2 GLN 8 1.910 -5.632 5.973 89 2HE2 GLN 8 1HE2 GLN 8 0.914 -7.070 5.881 90 H VAL 9 H VAL 9 -2.633 -0.626 6.456 91 HA VAL 9 HA VAL 9 -0.311 0.744 5.353 92 HB VAL 9 HB VAL 9 -3.259 1.481 5.387 93 1HG1 VAL 9 1HG1 VAL 9 -0.912 2.625 3.807 94 2HG1 VAL 9 2HG1 VAL 9 -2.620 2.954 3.469 95 3HG1 VAL 9 3HG1 VAL 9 -1.905 3.480 5.001 96 1HG2 VAL 9 1HG2 VAL 9 -1.552 0.139 3.243 97 2HG2 VAL 9 2HG2 VAL 9 -2.885 -0.613 4.144 98 3HG2 VAL 9 3HG2 VAL 9 -3.218 0.709 3.021 99 H TYR 10 H TYR 10 0.759 2.402 6.236 100 HA TYR 10 HA TYR 10 -0.098 3.388 8.917 101 1HB TYR 10 1HB TYR 10 2.677 3.165 7.776 102 2HB TYR 10 2HB TYR 10 2.233 3.447 9.452 103 HD1 TYR 10 HD1 TYR 10 0.362 1.414 10.198 104 HD2 TYR 10 HD2 TYR 10 3.711 1.117 7.501 105 HE1 TYR 10 HE1 TYR 10 0.621 -0.986 10.772 106 HE2 TYR 10 HE2 TYR 10 3.987 -1.271 8.094 107 HH TYR 10 HH TYR 10 1.928 -2.858 10.573 108 H SER 11 H SER 11 0.521 5.414 9.560 109 HA SER 11 HA SER 11 1.292 7.487 7.550 110 1HB SER 11 1HB SER 11 0.751 9.047 9.489 111 2HB SER 11 2HB SER 11 -0.614 8.234 8.720 112 HG SER 11 HG SER 11 -0.727 8.155 10.999 113 H ARG 12 H ARG 12 3.517 7.266 7.390 114 HA ARG 12 HA ARG 12 5.115 6.212 9.555 115 1HB ARG 12 1HB ARG 12 5.521 5.987 7.048 116 2HB ARG 12 2HB ARG 12 6.046 7.668 7.094 117 1HG ARG 12 1HG ARG 12 7.721 6.872 8.955 118 2HG ARG 12 2HG ARG 12 7.333 5.250 8.342 119 1HD ARG 12 1HD ARG 12 7.802 6.415 5.981 120 2HD ARG 12 2HD ARG 12 8.688 7.586 6.966 121 HE ARG 12 HE ARG 12 9.595 5.068 7.767 122 1HH1 ARG 12 1HH2 ARG 12 9.545 6.978 4.765 123 2HH1 ARG 12 2HH2 ARG 12 10.934 6.179 4.084 124 1HH2 ARG 12 1HH1 ARG 12 11.427 4.022 6.845 125 2HH2 ARG 12 2HH1 ARG 12 12.009 4.499 5.271 126 H HIS 13 H HIS 13 4.807 9.392 7.944 127 HA HIS 13 HA HIS 13 5.940 10.836 10.298 128 1HB HIS 13 1HB HIS 13 5.375 11.629 7.440 129 2HB HIS 13 2HB HIS 13 5.804 12.777 8.710 130 HD2 HIS 13 HD2 HIS 13 8.135 13.401 7.294 131 HE1 HIS 13 HE1 HIS 13 10.027 9.690 8.049 132 HE2 HIS 13 HE2 HIS 13 10.389 12.070 7.188 133 HA PRO 14 HA PRO 14 1.722 12.014 11.260 134 1HB PRO 14 1HB PRO 14 2.045 14.319 12.664 135 2HB PRO 14 2HB PRO 14 2.645 12.748 13.269 136 1HG PRO 14 1HG PRO 14 4.222 14.910 11.854 137 2HG PRO 14 2HG PRO 14 4.664 14.020 13.336 138 1HD PRO 14 1HD PRO 14 5.561 13.353 10.825 139 2HD PRO 14 2HD PRO 14 5.325 12.128 12.093 140 H ALA 15 H ALA 15 0.183 12.900 9.925 141 HA ALA 15 HA ALA 15 0.860 14.190 7.566 142 1HB ALA 15 1HB ALA 15 -1.215 12.931 7.930 143 2HB ALA 15 2HB ALA 15 -1.839 14.251 8.954 144 3HB ALA 15 3HB ALA 15 -1.534 14.528 7.231 145 H GLU 16 H GLU 16 0.796 16.228 6.782 146 HA GLU 16 HA GLU 16 0.585 18.546 8.613 147 1HB GLU 16 1HB GLU 16 2.781 17.334 8.941 148 2HB GLU 16 2HB GLU 16 3.182 17.706 7.255 149 1HG GLU 16 1HG GLU 16 2.993 20.140 7.802 150 2HG GLU 16 2HG GLU 16 2.612 19.713 9.479 151 H ASN 17 H ASN 17 -0.617 19.894 7.384 152 HA ASN 17 HA ASN 17 -1.224 19.486 4.758 153 1HB ASN 17 1HB ASN 17 -1.449 22.015 6.420 154 2HB ASN 17 2HB ASN 17 -2.173 21.797 4.825 155 1HD2 ASN 17 2HD2 ASN 17 -2.406 20.923 8.221 156 2HD2 ASN 17 1HD2 ASN 17 -3.918 20.050 8.086 157 H GLY 18 H GLY 18 -0.126 19.732 2.903 158 1HA GLY 18 1HA GLY 18 0.957 20.838 1.217 159 2HA GLY 18 2HA GLY 18 1.269 22.204 2.291 160 H LYS 19 H LYS 19 2.588 20.265 4.294 161 HA LYS 19 HA LYS 19 5.278 20.571 3.145 162 1HB LYS 19 1HB LYS 19 4.697 21.561 5.254 163 2HB LYS 19 2HB LYS 19 4.279 19.952 5.876 164 1HG LYS 19 1HG LYS 19 7.103 20.705 4.994 165 2HG LYS 19 2HG LYS 19 6.471 20.980 6.624 166 1HD LYS 19 1HD LYS 19 5.787 18.420 6.486 167 2HD LYS 19 2HD LYS 19 7.067 18.368 5.266 168 1HE LYS 19 1HE LYS 19 8.752 18.870 6.826 169 2HE LYS 19 2HE LYS 19 7.609 19.562 7.999 170 1HZ LYS 19 1HZ LYS 19 6.728 17.468 8.413 171 2HZ LYS 19 2HZ LYS 19 7.708 16.730 7.300 172 3HZ LYS 19 3HZ LYS 19 8.358 17.420 8.656 173 H SER 20 H SER 20 6.029 18.993 2.239 174 HA SER 20 HA SER 20 5.259 16.526 1.697 175 1HB SER 20 1HB SER 20 7.624 15.825 1.223 176 2HB SER 20 2HB SER 20 6.965 17.268 0.457 177 HG SER 20 HG SER 20 8.070 18.502 2.081 178 H ASN 21 H ASN 21 4.888 14.702 2.727 179 HA ASN 21 HA ASN 21 5.954 14.265 5.485 180 1HB ASN 21 1HB ASN 21 3.418 14.824 4.648 181 2HB ASN 21 2HB ASN 21 3.377 13.076 4.590 182 1HD2 ASN 21 2HD2 ASN 21 4.301 15.861 6.645 183 2HD2 ASN 21 1HD2 ASN 21 3.772 15.146 8.157 184 H PHE 22 H PHE 22 4.682 11.489 5.488 185 HA PHE 22 HA PHE 22 5.905 10.091 3.295 186 1HB PHE 22 1HB PHE 22 7.581 10.593 5.491 187 2HB PHE 22 2HB PHE 22 7.085 8.931 5.706 188 HD1 PHE 22 HD1 PHE 22 7.047 7.633 3.197 189 HD2 PHE 22 HD2 PHE 22 9.629 10.844 4.472 190 HE1 PHE 22 HE1 PHE 22 8.609 7.140 1.322 191 HE2 PHE 22 HE2 PHE 22 11.244 10.252 2.689 192 HZ PHE 22 HZ PHE 22 10.661 8.508 1.028 193 H LEU 23 H LEU 23 4.602 8.488 2.840 194 HA LEU 23 HA LEU 23 2.942 7.191 4.955 195 1HB LEU 23 1HB LEU 23 1.992 8.534 2.768 196 2HB LEU 23 2HB LEU 23 2.250 6.964 2.042 197 HG LEU 23 HG LEU 23 0.842 6.019 3.974 198 1HD1 LEU 23 1HD1 LEU 23 1.122 8.258 5.349 199 2HD1 LEU 23 2HD1 LEU 23 -0.128 8.887 4.271 200 3HD1 LEU 23 3HD1 LEU 23 -0.446 7.462 5.292 201 1HD2 LEU 23 1HD2 LEU 23 -0.099 6.259 1.761 202 2HD2 LEU 23 2HD2 LEU 23 -1.308 6.774 2.944 203 3HD2 LEU 23 3HD2 LEU 23 -0.407 7.991 2.012 204 H ASN 24 H ASN 24 2.784 4.981 5.021 205 HA ASN 24 HA ASN 24 4.551 3.356 3.229 206 1HB ASN 24 1HB ASN 24 4.278 3.297 6.244 207 2HB ASN 24 2HB ASN 24 4.915 1.962 5.290 208 1HD2 ASN 24 2HD2 ASN 24 6.891 2.177 6.578 209 2HD2 ASN 24 1HD2 ASN 24 8.047 3.432 6.183 210 H CYS 25 H CYS 25 2.898 2.451 1.977 211 HA CYS 25 HA CYS 25 0.713 0.998 3.347 212 1HB CYS 25 1HB CYS 25 1.592 0.641 0.479 213 2HB CYS 25 2HB CYS 25 0.126 0.080 1.263 214 H TYR 26 H TYR 26 1.105 -1.036 4.195 215 HA TYR 26 HA TYR 26 3.427 -2.577 3.169 216 1HB TYR 26 1HB TYR 26 4.001 -1.621 5.391 217 2HB TYR 26 2HB TYR 26 2.531 -2.273 6.056 218 HD1 TYR 26 HD1 TYR 26 5.063 -3.937 3.783 219 HD2 TYR 26 HD2 TYR 26 3.472 -3.681 7.747 220 HE1 TYR 26 HE1 TYR 26 5.940 -6.189 4.257 221 HE2 TYR 26 HE2 TYR 26 4.295 -5.975 8.236 222 HH TYR 26 HH TYR 26 6.123 -7.891 5.819 223 H VAL 27 H VAL 27 2.869 -4.607 2.578 224 HA VAL 27 HA VAL 27 0.224 -5.664 3.410 225 HB VAL 27 HB VAL 27 1.301 -5.880 0.558 226 1HG1 VAL 27 1HG1 VAL 27 -1.506 -6.287 1.683 227 2HG1 VAL 27 2HG1 VAL 27 -0.909 -6.680 0.054 228 3HG1 VAL 27 3HG1 VAL 27 -0.355 -7.605 1.457 229 1HG2 VAL 27 1HG2 VAL 27 -0.792 -3.968 1.586 230 2HG2 VAL 27 2HG2 VAL 27 0.795 -3.522 0.910 231 3HG2 VAL 27 3HG2 VAL 27 -0.405 -4.312 -0.125 232 H SER 28 H SER 28 0.334 -7.899 3.840 233 HA SER 28 HA SER 28 2.519 -9.432 2.766 234 1HB SER 28 1HB SER 28 3.377 -10.222 4.980 235 2HB SER 28 2HB SER 28 3.666 -8.510 4.814 236 HG SER 28 HG SER 28 1.514 -9.766 6.202 237 H GLY 29 H GLY 29 2.453 -11.761 3.912 238 1HA GLY 29 1HA GLY 29 1.192 -13.537 4.672 239 2HA GLY 29 2HA GLY 29 -0.307 -12.625 4.484 240 H PHE 30 H PHE 30 0.215 -11.767 1.753 241 HA PHE 30 HA PHE 30 -1.157 -13.798 0.420 242 1HB PHE 30 1HB PHE 30 -1.017 -12.360 -1.526 243 2HB PHE 30 2HB PHE 30 -1.447 -11.506 -0.097 244 HD1 PHE 30 HD1 PHE 30 1.237 -12.118 -2.539 245 HD2 PHE 30 HD2 PHE 30 0.000 -9.658 0.776 246 HE1 PHE 30 HE1 PHE 30 3.127 -10.595 -2.974 247 HE2 PHE 30 HE2 PHE 30 1.884 -8.133 0.315 248 HZ PHE 30 HZ PHE 30 3.450 -8.628 -1.543 249 H HIS 31 H HIS 31 -0.309 -14.274 -2.101 250 HA HIS 31 HA HIS 31 2.286 -15.294 -2.510 251 1HB HIS 31 1HB HIS 31 2.192 -16.844 -0.775 252 2HB HIS 31 2HB HIS 31 0.427 -16.818 -0.729 253 HD2 HIS 31 HD2 HIS 31 2.607 -18.098 -3.713 254 HE1 HIS 31 HE1 HIS 31 -0.019 -21.147 -2.408 255 HE2 HIS 31 HE2 HIS 31 1.751 -20.550 -4.152 256 HA PRO 32 HA PRO 32 3.135 -16.127 -4.380 257 1HB PRO 32 1HB PRO 32 3.572 -16.165 -7.006 258 2HB PRO 32 2HB PRO 32 2.641 -17.471 -6.260 259 1HG PRO 32 1HG PRO 32 1.455 -14.987 -7.538 260 2HG PRO 32 2HG PRO 32 1.163 -16.687 -8.014 261 1HD PRO 32 1HD PRO 32 -0.454 -15.400 -6.228 262 2HD PRO 32 2HD PRO 32 -0.052 -17.126 -6.026 263 H SER 33 H SER 33 4.036 -14.380 -6.787 264 HA SER 33 HA SER 33 4.701 -12.338 -4.896 265 1HB SER 33 1HB SER 33 6.407 -11.759 -6.534 266 2HB SER 33 2HB SER 33 6.347 -13.523 -6.337 267 HG SER 33 HG SER 33 5.078 -13.601 -8.249 268 H ASP 34 H ASP 34 2.708 -12.329 -7.833 269 HA ASP 34 HA ASP 34 3.400 -9.605 -8.407 270 1HB ASP 34 1HB ASP 34 3.099 -11.240 -10.159 271 2HB ASP 34 2HB ASP 34 1.429 -11.549 -9.662 272 H ILE 35 H ILE 35 2.658 -8.059 -7.091 273 HA ILE 35 HA ILE 35 -0.276 -7.643 -6.965 274 HB ILE 35 HB ILE 35 0.456 -8.580 -4.959 275 1HG1 ILE 35 1HG1 ILE 35 0.054 -5.649 -4.291 276 2HG1 ILE 35 2HG1 ILE 35 -1.247 -6.687 -4.845 277 1HG2 ILE 35 1HG2 ILE 35 2.374 -6.290 -4.656 278 2HG2 ILE 35 2HG2 ILE 35 2.055 -7.587 -3.468 279 3HG2 ILE 35 3HG2 ILE 35 2.805 -7.992 -5.007 280 1HD1 ILE 35 1HD1 ILE 35 -0.601 -8.292 -2.935 281 2HD1 ILE 35 2HD1 ILE 35 0.368 -6.974 -2.286 282 3HD1 ILE 35 3HD1 ILE 35 -1.369 -6.752 -2.486 283 H GLU 36 H GLU 36 -0.996 -5.623 -6.970 284 HA GLU 36 HA GLU 36 0.723 -3.563 -8.254 285 1HB GLU 36 1HB GLU 36 -2.254 -3.981 -8.635 286 2HB GLU 36 2HB GLU 36 -1.123 -3.052 -9.621 287 1HG GLU 36 1HG GLU 36 0.066 -5.228 -10.122 288 2HG GLU 36 2HG GLU 36 -1.227 -6.087 -9.297 289 H VAL 37 H VAL 37 0.989 -1.752 -7.029 290 HA VAL 37 HA VAL 37 -1.108 -0.910 -5.095 291 HB VAL 37 HB VAL 37 1.814 -1.489 -4.455 292 1HG1 VAL 37 1HG1 VAL 37 0.776 0.295 -2.968 293 2HG1 VAL 37 2HG1 VAL 37 -0.411 -0.928 -2.458 294 3HG1 VAL 37 3HG1 VAL 37 1.305 -1.174 -2.140 295 1HG2 VAL 37 1HG2 VAL 37 0.794 -3.601 -4.713 296 2HG2 VAL 37 2HG2 VAL 37 0.709 -3.295 -2.973 297 3HG2 VAL 37 3HG2 VAL 37 -0.731 -3.072 -3.948 298 H ASP 38 H ASP 38 -1.467 0.810 -6.640 299 HA ASP 38 HA ASP 38 0.506 2.993 -6.723 300 1HB ASP 38 1HB ASP 38 -2.500 3.066 -7.324 301 2HB ASP 38 2HB ASP 38 -1.330 4.343 -7.607 302 H LEU 39 H LEU 39 0.082 4.996 -5.590 303 HA LEU 39 HA LEU 39 -1.903 4.887 -3.360 304 1HB LEU 39 1HB LEU 39 0.589 6.621 -3.534 305 2HB LEU 39 2HB LEU 39 -0.695 6.699 -2.317 306 HG LEU 39 HG LEU 39 -0.030 4.024 -2.217 307 1HD1 LEU 39 1HD1 LEU 39 2.571 5.520 -2.706 308 2HD1 LEU 39 2HD1 LEU 39 2.413 3.840 -2.156 309 3HD1 LEU 39 3HD1 LEU 39 1.863 4.294 -3.776 310 1HD2 LEU 39 1HD2 LEU 39 1.001 6.406 -0.644 311 2HD2 LEU 39 2HD2 LEU 39 -0.333 5.305 -0.268 312 3HD2 LEU 39 3HD2 LEU 39 1.351 4.734 -0.175 313 H LEU 40 H LEU 40 -3.525 6.310 -3.527 314 HA LEU 40 HA LEU 40 -3.754 7.854 -6.060 315 1HB LEU 40 1HB LEU 40 -4.535 5.379 -5.976 316 2HB LEU 40 2HB LEU 40 -5.810 5.958 -4.921 317 HG LEU 40 HG LEU 40 -6.627 5.717 -7.149 318 1HD1 LEU 40 1HD1 LEU 40 -7.475 7.701 -5.871 319 2HD1 LEU 40 2HD1 LEU 40 -6.303 8.720 -6.742 320 3HD1 LEU 40 3HD1 LEU 40 -7.574 7.876 -7.633 321 1HD2 LEU 40 1HD2 LEU 40 -4.575 7.710 -8.149 322 2HD2 LEU 40 2HD2 LEU 40 -4.367 5.946 -8.252 323 3HD2 LEU 40 3HD2 LEU 40 -5.709 6.739 -9.101 324 H LYS 41 H LYS 41 -4.153 9.963 -5.406 325 HA LYS 41 HA LYS 41 -5.244 10.537 -2.838 326 1HB LYS 41 1HB LYS 41 -4.596 12.282 -5.216 327 2HB LYS 41 2HB LYS 41 -4.736 12.806 -3.511 328 1HG LYS 41 1HG LYS 41 -2.818 11.724 -2.855 329 2HG LYS 41 2HG LYS 41 -2.706 10.656 -4.245 330 1HD LYS 41 1HD LYS 41 -1.081 12.361 -4.389 331 2HD LYS 41 2HD LYS 41 -2.179 12.440 -5.755 332 1HE LYS 41 1HE LYS 41 -3.341 14.320 -4.925 333 2HE LYS 41 2HE LYS 41 -2.675 14.109 -3.288 334 1HZ LYS 41 1HZ LYS 41 -1.147 14.947 -5.647 335 2HZ LYS 41 2HZ LYS 41 -1.665 15.934 -4.427 336 3HZ LYS 41 3HZ LYS 41 -0.547 14.761 -4.119 337 H ASN 42 H ASN 42 -6.505 12.977 -4.239 338 HA ASN 42 HA ASN 42 -9.286 12.258 -4.113 339 1HB ASN 42 1HB ASN 42 -9.710 14.463 -4.970 340 2HB ASN 42 2HB ASN 42 -8.358 14.621 -3.850 341 1HD2 ASN 42 2HD2 ASN 42 -6.106 14.821 -4.838 342 2HD2 ASN 42 1HD2 ASN 42 -5.965 15.391 -6.486 343 H GLY 43 H GLY 43 -6.940 12.524 -6.780 344 1HA GLY 43 1HA GLY 43 -8.032 10.329 -8.174 345 2HA GLY 43 2HA GLY 43 -8.656 11.809 -8.930 346 H GLU 44 H GLU 44 -5.481 11.493 -7.352 347 HA GLU 44 HA GLU 44 -4.069 11.583 -9.984 348 1HB GLU 44 1HB GLU 44 -4.025 13.782 -8.965 349 2HB GLU 44 2HB GLU 44 -3.528 13.109 -7.411 350 1HG GLU 44 1HG GLU 44 -1.377 12.347 -8.445 351 2HG GLU 44 2HG GLU 44 -1.900 13.037 -9.992 352 H ARG 45 H ARG 45 -2.744 9.880 -10.218 353 HA ARG 45 HA ARG 45 -2.222 8.126 -7.911 354 1HB ARG 45 1HB ARG 45 -1.698 6.424 -9.426 355 2HB ARG 45 2HB ARG 45 -3.168 7.214 -10.016 356 1HG ARG 45 1HG ARG 45 -1.770 8.495 -11.664 357 2HG ARG 45 2HG ARG 45 -0.362 7.568 -11.106 358 1HD ARG 45 1HD ARG 45 -1.643 5.438 -11.691 359 2HD ARG 45 2HD ARG 45 -2.895 6.469 -12.392 360 HE ARG 45 HE ARG 45 -1.576 6.868 -14.226 361 1HH1 ARG 45 1HH2 ARG 45 0.480 5.415 -11.695 362 2HH1 ARG 45 2HH2 ARG 45 1.944 5.629 -12.633 363 1HH2 ARG 45 1HH1 ARG 45 0.392 7.101 -15.411 364 2HH2 ARG 45 2HH1 ARG 45 1.899 6.588 -14.674 365 H ILE 46 H ILE 46 -0.266 7.886 -6.951 366 HA ILE 46 HA ILE 46 1.818 9.807 -7.547 367 HB ILE 46 HB ILE 46 1.164 7.844 -5.324 368 1HG1 ILE 46 1HG1 ILE 46 1.045 10.874 -5.153 369 2HG1 ILE 46 2HG1 ILE 46 -0.344 9.969 -5.755 370 1HG2 ILE 46 1HG2 ILE 46 3.536 8.184 -5.374 371 2HG2 ILE 46 2HG2 ILE 46 3.324 9.944 -5.584 372 3HG2 ILE 46 3HG2 ILE 46 2.856 9.155 -4.052 373 1HD1 ILE 46 1HD1 ILE 46 -0.487 8.664 -3.686 374 2HD1 ILE 46 2HD1 ILE 46 0.879 9.575 -3.001 375 3HD1 ILE 46 3HD1 ILE 46 -0.638 10.378 -3.435 376 H GLU 47 H GLU 47 3.391 9.148 -8.928 377 HA GLU 47 HA GLU 47 3.845 6.317 -9.466 378 1HB GLU 47 1HB GLU 47 5.178 8.766 -10.668 379 2HB GLU 47 2HB GLU 47 5.325 7.081 -11.203 380 1HG GLU 47 1HG GLU 47 2.695 7.148 -11.280 381 2HG GLU 47 2HG GLU 47 2.904 8.893 -11.332 382 H LYS 48 H LYS 48 5.505 8.901 -7.667 383 HA LYS 48 HA LYS 48 8.016 7.457 -7.513 384 1HB LYS 48 1HB LYS 48 7.829 9.937 -7.471 385 2HB LYS 48 2HB LYS 48 7.098 9.845 -5.861 386 1HG LYS 48 1HG LYS 48 9.144 8.681 -5.021 387 2HG LYS 48 2HG LYS 48 9.844 8.760 -6.649 388 1HD LYS 48 1HD LYS 48 9.666 11.277 -6.521 389 2HD LYS 48 2HD LYS 48 9.140 11.120 -4.838 390 1HE LYS 48 1HE LYS 48 11.787 10.092 -5.979 391 2HE LYS 48 2HE LYS 48 11.585 11.591 -5.057 392 1HZ LYS 48 1HZ LYS 48 11.031 8.913 -3.998 393 2HZ LYS 48 2HZ LYS 48 12.360 9.830 -3.679 394 3HZ LYS 48 3HZ LYS 48 10.872 10.353 -3.196 395 H VAL 49 H VAL 49 6.874 5.446 -6.873 396 HA VAL 49 HA VAL 49 6.440 5.205 -3.932 397 HB VAL 49 HB VAL 49 5.783 3.238 -6.162 398 1HG1 VAL 49 1HG1 VAL 49 6.159 2.136 -4.003 399 2HG1 VAL 49 2HG1 VAL 49 5.128 3.323 -3.178 400 3HG1 VAL 49 3HG1 VAL 49 4.423 2.177 -4.337 401 1HG2 VAL 49 1HG2 VAL 49 4.018 5.230 -4.692 402 2HG2 VAL 49 2HG2 VAL 49 4.370 5.174 -6.432 403 3HG2 VAL 49 3HG2 VAL 49 3.419 3.883 -5.692 404 H GLU 50 H GLU 50 8.454 4.907 -3.022 405 HA GLU 50 HA GLU 50 10.487 3.238 -4.376 406 1HB GLU 50 1HB GLU 50 10.992 5.345 -2.947 407 2HB GLU 50 2HB GLU 50 10.648 4.303 -1.558 408 1HG GLU 50 1HG GLU 50 12.378 2.694 -2.395 409 2HG GLU 50 2HG GLU 50 12.771 3.873 -3.662 410 H HIS 51 H HIS 51 11.101 1.169 -3.297 411 HA HIS 51 HA HIS 51 9.217 0.165 -1.293 412 1HB HIS 51 1HB HIS 51 8.597 -1.825 -2.583 413 2HB HIS 51 2HB HIS 51 8.033 -0.357 -3.382 414 HD2 HIS 51 HD2 HIS 51 9.456 0.358 -5.745 415 HE1 HIS 51 HE1 HIS 51 11.363 -3.402 -6.122 416 HE2 HIS 51 HE2 HIS 51 10.890 -1.186 -7.302 417 H SER 52 H SER 52 9.873 -1.651 -0.249 418 HA SER 52 HA SER 52 12.755 -2.157 -0.155 419 1HB SER 52 1HB SER 52 12.075 -3.842 1.584 420 2HB SER 52 2HB SER 52 11.556 -2.178 1.928 421 HG SER 52 HG SER 52 9.514 -2.718 1.095 422 H ASP 53 H ASP 53 13.786 -3.983 -0.942 423 HA ASP 53 HA ASP 53 12.745 -5.346 -3.195 424 1HB ASP 53 1HB ASP 53 15.139 -5.011 -2.808 425 2HB ASP 53 2HB ASP 53 15.070 -5.985 -1.329 426 H LEU 54 H LEU 54 12.412 -7.722 -3.388 427 HA LEU 54 HA LEU 54 10.216 -8.330 -1.779 428 1HB LEU 54 1HB LEU 54 10.552 -9.077 -4.116 429 2HB LEU 54 2HB LEU 54 11.740 -10.265 -3.585 430 HG LEU 54 HG LEU 54 9.346 -11.108 -4.066 431 1HD1 LEU 54 1HD1 LEU 54 10.231 -11.788 -1.264 432 2HD1 LEU 54 2HD1 LEU 54 9.265 -12.724 -2.396 433 3HD1 LEU 54 3HD1 LEU 54 10.969 -12.439 -2.750 434 1HD2 LEU 54 1HD2 LEU 54 8.263 -9.110 -2.914 435 2HD2 LEU 54 2HD2 LEU 54 7.581 -10.706 -2.596 436 3HD2 LEU 54 3HD2 LEU 54 8.640 -9.982 -1.399 437 H SER 55 H SER 55 10.031 -9.169 0.161 438 HA SER 55 HA SER 55 12.064 -11.052 1.260 439 1HB SER 55 1HB SER 55 12.397 -8.803 2.267 440 2HB SER 55 2HB SER 55 10.688 -8.759 2.737 441 HG SER 55 HG SER 55 12.674 -10.602 3.589 442 H PHE 56 H PHE 56 10.872 -12.918 1.087 443 HA PHE 56 HA PHE 56 7.972 -12.803 1.567 444 1HB PHE 56 1HB PHE 56 7.898 -14.950 0.479 445 2HB PHE 56 2HB PHE 56 8.750 -13.779 -0.495 446 HD1 PHE 56 HD1 PHE 56 9.025 -16.811 1.570 447 HD2 PHE 56 HD2 PHE 56 11.119 -14.102 -1.021 448 HE1 PHE 56 HE1 PHE 56 11.099 -18.189 1.815 449 HE2 PHE 56 HE2 PHE 56 13.148 -15.556 -0.907 450 HZ PHE 56 HZ PHE 56 13.134 -17.591 0.508 451 H SER 57 H SER 57 10.542 -13.296 3.556 452 HA SER 57 HA SER 57 11.073 -14.348 5.350 453 1HB SER 57 1HB SER 57 9.578 -14.995 7.050 454 2HB SER 57 2HB SER 57 9.012 -13.500 6.347 455 HG SER 57 HG SER 57 7.325 -15.019 6.689 456 H LYS 58 H LYS 58 12.103 -16.206 5.668 457 HA LYS 58 HA LYS 58 11.631 -18.734 4.383 458 1HB LYS 58 1HB LYS 58 12.854 -18.120 7.097 459 2HB LYS 58 2HB LYS 58 13.076 -19.612 6.155 460 1HG LYS 58 1HG LYS 58 14.121 -18.199 4.321 461 2HG LYS 58 2HG LYS 58 14.089 -16.821 5.425 462 1HD LYS 58 1HD LYS 58 15.604 -19.434 5.809 463 2HD LYS 58 2HD LYS 58 16.275 -17.820 5.517 464 1HE LYS 58 1HE LYS 58 15.185 -17.117 7.751 465 2HE LYS 58 2HE LYS 58 14.890 -18.847 8.031 466 1HZ LYS 58 1HZ LYS 58 17.496 -17.573 7.621 467 2HZ LYS 58 2HZ LYS 58 16.900 -18.160 9.039 468 3HZ LYS 58 3HZ LYS 58 17.255 -19.193 7.806 469 H ASP 59 H ASP 59 10.184 -17.100 7.096 470 HA ASP 59 HA ASP 59 8.843 -19.366 8.136 471 1HB ASP 59 1HB ASP 59 8.332 -16.366 8.469 472 2HB ASP 59 2HB ASP 59 7.676 -17.622 9.518 473 H TRP 60 H TRP 60 8.334 -18.689 5.187 474 HA TRP 60 HA TRP 60 6.692 -19.087 3.754 475 1HB TRP 60 1HB TRP 60 5.082 -20.063 6.139 476 2HB TRP 60 2HB TRP 60 4.765 -20.380 4.442 477 HD1 TRP 60 HD1 TRP 60 7.142 -21.313 7.253 478 HE1 TRP 60 HE1 TRP 60 8.356 -23.524 6.669 479 HE3 TRP 60 HE3 TRP 60 5.583 -21.855 2.407 480 HZ2 TRP 60 HZ2 TRP 60 8.563 -25.290 4.437 481 HZ3 TRP 60 HZ3 TRP 60 6.312 -23.810 1.079 482 HH2 TRP 60 HH2 TRP 60 7.773 -25.547 2.087 483 H SER 61 H SER 61 6.499 -16.818 3.267 484 HA SER 61 HA SER 61 3.732 -15.949 3.450 485 1HB SER 61 1HB SER 61 4.806 -15.014 5.558 486 2HB SER 61 2HB SER 61 5.894 -14.096 4.520 487 HG SER 61 HG SER 61 4.070 -12.880 5.101 488 H PHE 62 H PHE 62 4.135 -13.376 2.385 489 HA PHE 62 HA PHE 62 6.265 -13.231 0.495 490 1HB PHE 62 1HB PHE 62 4.129 -14.669 -0.551 491 2HB PHE 62 2HB PHE 62 3.837 -13.038 -1.142 492 HD1 PHE 62 HD1 PHE 62 6.129 -15.955 -1.176 493 HD2 PHE 62 HD2 PHE 62 5.672 -11.890 -2.573 494 HE1 PHE 62 HE1 PHE 62 7.695 -16.411 -2.963 495 HE2 PHE 62 HE2 PHE 62 7.270 -12.346 -4.336 496 HZ PHE 62 HZ PHE 62 8.300 -14.613 -4.587 497 H TYR 63 H TYR 63 6.687 -10.970 0.536 498 HA TYR 63 HA TYR 63 4.481 -9.051 0.725 499 1HB TYR 63 1HB TYR 63 5.075 -8.216 2.991 500 2HB TYR 63 2HB TYR 63 4.471 -9.873 2.982 501 HD1 TYR 63 HD1 TYR 63 5.643 -11.738 3.715 502 HD2 TYR 63 HD2 TYR 63 7.422 -7.826 3.544 503 HE1 TYR 63 HE1 TYR 63 7.448 -12.505 5.176 504 HE2 TYR 63 HE2 TYR 63 9.241 -8.560 5.019 505 HH TYR 63 HH TYR 63 10.325 -10.436 5.912 506 H LEU 64 H LEU 64 5.320 -6.900 1.384 507 HA LEU 64 HA LEU 64 8.023 -6.135 1.023 508 1HB LEU 64 1HB LEU 64 7.969 -5.090 -1.153 509 2HB LEU 64 2HB LEU 64 7.697 -6.815 -1.327 510 HG LEU 64 HG LEU 64 5.642 -4.593 -1.557 511 1HD1 LEU 64 1HD1 LEU 64 6.542 -6.660 -3.614 512 2HD1 LEU 64 2HD1 LEU 64 5.425 -5.322 -3.883 513 3HD1 LEU 64 3HD1 LEU 64 7.132 -4.978 -3.560 514 1HD2 LEU 64 1HD2 LEU 64 5.339 -7.605 -1.632 515 2HD2 LEU 64 2HD2 LEU 64 4.363 -6.450 -0.669 516 3HD2 LEU 64 3HD2 LEU 64 4.168 -6.551 -2.421 517 H LEU 65 H LEU 65 8.224 -3.840 1.263 518 HA LEU 65 HA LEU 65 5.828 -2.462 2.349 519 1HB LEU 65 1HB LEU 65 8.073 -3.106 3.639 520 2HB LEU 65 2HB LEU 65 8.703 -1.666 2.831 521 HG LEU 65 HG LEU 65 6.332 -1.861 4.749 522 1HD1 LEU 65 1HD1 LEU 65 9.036 -0.493 4.916 523 2HD1 LEU 65 2HD1 LEU 65 7.785 -0.517 6.184 524 3HD1 LEU 65 3HD1 LEU 65 8.597 -2.025 5.708 525 1HD2 LEU 65 1HD2 LEU 65 7.312 0.405 3.003 526 2HD2 LEU 65 2HD2 LEU 65 5.647 -0.114 3.340 527 3HD2 LEU 65 3HD2 LEU 65 6.574 0.731 4.583 528 H TYR 66 H TYR 66 5.185 -0.589 1.357 529 HA TYR 66 HA TYR 66 6.684 0.285 -1.057 530 1HB TYR 66 1HB TYR 66 3.656 0.122 -0.902 531 2HB TYR 66 2HB TYR 66 4.686 0.190 -2.313 532 HD1 TYR 66 HD1 TYR 66 4.571 -1.804 -3.610 533 HD2 TYR 66 HD2 TYR 66 4.004 -2.133 0.668 534 HE1 TYR 66 HE1 TYR 66 3.316 -3.915 -3.893 535 HE2 TYR 66 HE2 TYR 66 2.893 -4.255 0.361 536 HH TYR 66 HH TYR 66 1.911 -5.440 -2.861 537 H TYR 67 H TYR 67 7.388 2.245 -0.293 538 HA TYR 67 HA TYR 67 5.445 4.009 1.092 539 1HB TYR 67 1HB TYR 67 7.606 5.004 2.038 540 2HB TYR 67 2HB TYR 67 6.772 3.594 2.643 541 HD1 TYR 67 HD1 TYR 67 8.419 2.383 3.767 542 HD2 TYR 67 HD2 TYR 67 9.100 3.723 -0.237 543 HE1 TYR 67 HE1 TYR 67 10.464 0.974 3.648 544 HE2 TYR 67 HE2 TYR 67 11.136 2.296 -0.389 545 HH TYR 67 HH TYR 67 12.462 0.744 0.688 546 H THR 68 H THR 68 5.305 6.065 0.720 547 HA THR 68 HA THR 68 6.801 7.375 -1.536 548 HB THR 68 HB THR 68 4.672 6.487 -2.228 549 HG1 THR 68 HG1 THR 68 5.591 8.198 -3.280 550 1HG2 THR 68 1HG2 THR 68 2.607 7.656 -1.639 551 2HG2 THR 68 2HG2 THR 68 3.308 6.921 -0.174 552 3HG2 THR 68 3HG2 THR 68 3.449 8.670 -0.472 553 H GLU 69 H GLU 69 6.921 9.731 -1.410 554 HA GLU 69 HA GLU 69 6.829 10.921 1.268 555 1HB GLU 69 1HB GLU 69 7.690 11.893 -1.449 556 2HB GLU 69 2HB GLU 69 7.816 12.871 0.029 557 1HG GLU 69 1HG GLU 69 9.408 11.376 0.981 558 2HG GLU 69 2HG GLU 69 9.183 10.173 -0.307 559 H PHE 70 H PHE 70 4.422 10.666 1.434 560 HA PHE 70 HA PHE 70 2.750 11.918 -0.541 561 1HB PHE 70 1HB PHE 70 1.016 10.918 0.467 562 2HB PHE 70 2HB PHE 70 2.272 9.903 1.078 563 HD1 PHE 70 HD1 PHE 70 3.149 10.525 3.406 564 HD2 PHE 70 HD2 PHE 70 -0.532 12.097 1.889 565 HE1 PHE 70 HE1 PHE 70 2.335 10.842 5.758 566 HE2 PHE 70 HE2 PHE 70 -1.146 12.805 4.180 567 HZ PHE 70 HZ PHE 70 0.236 12.101 6.126 568 H THR 71 H THR 71 1.941 13.897 -0.582 569 HA THR 71 HA THR 71 2.518 15.818 1.630 570 HB THR 71 HB THR 71 2.264 16.364 -1.302 571 HG1 THR 71 HG1 THR 71 4.495 16.436 -1.163 572 1HG2 THR 71 1HG2 THR 71 3.376 18.493 -0.585 573 2HG2 THR 71 2HG2 THR 71 1.770 18.329 0.143 574 3HG2 THR 71 3HG2 THR 71 3.220 17.987 1.107 575 HA PRO 72 HA PRO 72 -2.129 15.553 1.321 576 1HB PRO 72 1HB PRO 72 -2.799 16.324 3.856 577 2HB PRO 72 2HB PRO 72 -2.229 14.688 3.439 578 1HG PRO 72 1HG PRO 72 -0.632 16.969 4.605 579 2HG PRO 72 2HG PRO 72 -0.622 15.257 5.106 580 1HD PRO 72 1HD PRO 72 1.270 16.348 3.458 581 2HD PRO 72 2HD PRO 72 0.758 14.646 3.300 582 H THR 73 H THR 73 -2.723 17.272 -0.068 583 HA THR 73 HA THR 73 -2.359 20.051 0.823 584 HB THR 73 HB THR 73 -3.584 20.718 -1.082 585 HG1 THR 73 HG1 THR 73 -4.232 18.038 -1.636 586 1HG2 THR 73 1HG2 THR 73 -1.879 18.342 -1.937 587 2HG2 THR 73 2HG2 THR 73 -2.376 19.718 -2.936 588 3HG2 THR 73 3HG2 THR 73 -1.283 19.970 -1.560 589 H GLU 74 H GLU 74 -4.459 21.413 1.025 590 HA GLU 74 HA GLU 74 -6.084 20.335 3.121 591 1HB GLU 74 1HB GLU 74 -6.408 22.843 1.428 592 2HB GLU 74 2HB GLU 74 -7.310 22.476 2.910 593 1HG GLU 74 1HG GLU 74 -5.199 22.356 4.192 594 2HG GLU 74 2HG GLU 74 -4.273 22.769 2.742 595 H LYS 75 H LYS 75 -6.250 19.686 -0.221 596 HA LYS 75 HA LYS 75 -8.929 18.518 0.175 597 1HB LYS 75 1HB LYS 75 -9.192 20.767 -0.888 598 2HB LYS 75 2HB LYS 75 -8.217 20.211 -2.256 599 1HG LYS 75 1HG LYS 75 -9.915 18.434 -2.711 600 2HG LYS 75 2HG LYS 75 -10.828 18.953 -1.279 601 1HD LYS 75 1HD LYS 75 -11.095 21.219 -2.308 602 2HD LYS 75 2HD LYS 75 -10.248 20.635 -3.757 603 1HE LYS 75 1HE LYS 75 -12.017 18.904 -4.074 604 2HE LYS 75 2HE LYS 75 -12.856 19.507 -2.630 605 1HZ LYS 75 1HZ LYS 75 -13.117 21.608 -3.740 606 2HZ LYS 75 2HZ LYS 75 -12.356 21.035 -5.086 607 3HZ LYS 75 3HZ LYS 75 -13.796 20.389 -4.614 608 H ASP 76 H ASP 76 -7.359 16.754 0.535 609 HA ASP 76 HA ASP 76 -7.262 15.179 -1.945 610 1HB ASP 76 1HB ASP 76 -4.903 15.598 -0.062 611 2HB ASP 76 2HB ASP 76 -5.097 14.102 -0.983 612 H GLU 77 H GLU 77 -7.266 12.897 -1.515 613 HA GLU 77 HA GLU 77 -7.577 12.057 1.284 614 1HB GLU 77 1HB GLU 77 -9.884 12.375 0.015 615 2HB GLU 77 2HB GLU 77 -9.482 10.830 -0.729 616 1HG GLU 77 1HG GLU 77 -9.767 11.485 2.235 617 2HG GLU 77 2HG GLU 77 -10.857 10.500 1.254 618 H TYR 78 H TYR 78 -5.489 11.243 1.135 619 HA TYR 78 HA TYR 78 -4.574 9.657 -1.075 620 1HB TYR 78 1HB TYR 78 -3.563 10.277 1.680 621 2HB TYR 78 2HB TYR 78 -2.789 9.018 0.713 622 HD1 TYR 78 HD1 TYR 78 -3.874 12.615 0.502 623 HD2 TYR 78 HD2 TYR 78 -1.078 9.607 -0.808 624 HE1 TYR 78 HE1 TYR 78 -2.507 14.359 -0.608 625 HE2 TYR 78 HE2 TYR 78 0.378 11.389 -1.728 626 HH TYR 78 HH TYR 78 -0.392 14.841 -1.509 627 H ALA 79 H ALA 79 -5.039 7.637 -1.523 628 HA ALA 79 HA ALA 79 -5.834 5.696 0.571 629 1HB ALA 79 1HB ALA 79 -7.387 6.282 -1.993 630 2HB ALA 79 2HB ALA 79 -7.750 4.991 -0.831 631 3HB ALA 79 3HB ALA 79 -7.919 6.693 -0.348 632 H CYS 80 H CYS 80 -5.192 3.603 0.166 633 HA CYS 80 HA CYS 80 -3.119 3.438 -1.936 634 1HB CYS 80 1HB CYS 80 -2.725 3.145 0.569 635 2HB CYS 80 2HB CYS 80 -3.441 1.540 0.392 636 H ARG 81 H ARG 81 -3.489 2.286 -3.759 637 HA ARG 81 HA ARG 81 -5.684 0.449 -4.112 638 1HB ARG 81 1HB ARG 81 -4.646 1.645 -5.991 639 2HB ARG 81 2HB ARG 81 -3.105 0.859 -5.629 640 1HG ARG 81 1HG ARG 81 -4.191 -1.387 -6.074 641 2HG ARG 81 2HG ARG 81 -5.642 -0.523 -6.585 642 1HD ARG 81 1HD ARG 81 -2.847 -0.396 -7.804 643 2HD ARG 81 2HD ARG 81 -4.233 -1.228 -8.503 644 HE ARG 81 HE ARG 81 -3.512 1.513 -8.762 645 1HH1 ARG 81 1HH2 ARG 81 -6.342 -0.609 -8.715 646 2HH1 ARG 81 2HH2 ARG 81 -7.385 0.549 -9.503 647 1HH2 ARG 81 1HH1 ARG 81 -4.897 3.069 -9.670 648 2HH2 ARG 81 2HH1 ARG 81 -6.551 2.665 -10.057 649 H VAL 82 H VAL 82 -5.685 -1.797 -3.624 650 HA VAL 82 HA VAL 82 -3.075 -3.169 -3.405 651 HB VAL 82 HB VAL 82 -5.412 -3.457 -1.461 652 1HG1 VAL 82 1HG1 VAL 82 -2.761 -4.937 -1.654 653 2HG1 VAL 82 2HG1 VAL 82 -3.981 -5.133 -0.372 654 3HG1 VAL 82 3HG1 VAL 82 -4.359 -5.626 -2.026 655 1HG2 VAL 82 1HG2 VAL 82 -4.074 -1.497 -0.872 656 2HG2 VAL 82 2HG2 VAL 82 -3.689 -2.804 0.245 657 3HG2 VAL 82 3HG2 VAL 82 -2.566 -2.419 -1.071 658 H ASN 83 H ASN 83 -3.194 -4.292 -5.284 659 HA ASN 83 HA ASN 83 -5.531 -6.111 -5.627 660 1HB ASN 83 1HB ASN 83 -5.727 -4.171 -7.159 661 2HB ASN 83 2HB ASN 83 -4.206 -4.618 -7.905 662 1HD2 ASN 83 2HD2 ASN 83 -4.276 -6.119 -9.603 663 2HD2 ASN 83 1HD2 ASN 83 -5.646 -7.161 -9.918 664 H HIS 84 H HIS 84 -4.339 -7.866 -4.786 665 HA HIS 84 HA HIS 84 -1.703 -8.668 -5.789 666 1HB HIS 84 1HB HIS 84 -2.499 -9.277 -3.550 667 2HB HIS 84 2HB HIS 84 -3.869 -10.113 -4.268 668 HD2 HIS 84 HD2 HIS 84 0.109 -10.590 -4.432 669 HE1 HIS 84 HE1 HIS 84 -1.921 -14.300 -4.672 670 HE2 HIS 84 HE2 HIS 84 0.403 -13.178 -4.552 671 H VAL 85 H VAL 85 -1.524 -10.591 -7.248 672 HA VAL 85 HA VAL 85 -3.191 -10.583 -9.475 673 HB VAL 85 HB VAL 85 -0.943 -11.423 -9.501 674 1HG1 VAL 85 1HG1 VAL 85 -0.833 -12.670 -7.369 675 2HG1 VAL 85 2HG1 VAL 85 -1.948 -13.895 -8.018 676 3HG1 VAL 85 3HG1 VAL 85 -0.343 -13.677 -8.735 677 1HG2 VAL 85 1HG2 VAL 85 -2.542 -12.116 -11.273 678 2HG2 VAL 85 2HG2 VAL 85 -1.226 -13.273 -11.014 679 3HG2 VAL 85 3HG2 VAL 85 -2.843 -13.625 -10.381 680 H THR 86 H THR 86 -3.659 -12.415 -6.462 681 HA THR 86 HA THR 86 -5.746 -14.059 -7.635 682 HB THR 86 HB THR 86 -4.121 -14.600 -5.678 683 HG1 THR 86 HG1 THR 86 -5.637 -15.973 -6.579 684 1HG2 THR 86 1HG2 THR 86 -6.560 -13.760 -4.081 685 2HG2 THR 86 2HG2 THR 86 -4.973 -14.298 -3.492 686 3HG2 THR 86 3HG2 THR 86 -5.150 -12.694 -4.229 687 H LEU 87 H LEU 87 -5.695 -10.817 -6.269 688 HA LEU 87 HA LEU 87 -8.517 -10.770 -5.555 689 1HB LEU 87 1HB LEU 87 -6.303 -8.757 -5.827 690 2HB LEU 87 2HB LEU 87 -7.942 -8.194 -6.059 691 HG LEU 87 HG LEU 87 -8.668 -8.914 -3.951 692 1HD1 LEU 87 1HD1 LEU 87 -5.891 -10.039 -3.406 693 2HD1 LEU 87 2HD1 LEU 87 -7.205 -9.882 -2.226 694 3HD1 LEU 87 3HD1 LEU 87 -7.375 -10.991 -3.589 695 1HD2 LEU 87 1HD2 LEU 87 -7.493 -6.727 -4.138 696 2HD2 LEU 87 2HD2 LEU 87 -7.284 -7.425 -2.519 697 3HD2 LEU 87 3HD2 LEU 87 -5.966 -7.510 -3.688 698 H SER 88 H SER 88 -10.138 -10.872 -6.909 699 HA SER 88 HA SER 88 -9.929 -10.499 -9.768 700 1HB SER 88 1HB SER 88 -12.386 -10.851 -9.661 701 2HB SER 88 2HB SER 88 -11.485 -12.097 -8.778 702 HG SER 88 HG SER 88 -12.853 -9.860 -7.695 703 H GLN 89 H GLN 89 -10.184 -8.264 -7.131 704 HA GLN 89 HA GLN 89 -11.008 -6.109 -8.917 705 1HB GLN 89 1HB GLN 89 -12.763 -5.372 -7.375 706 2HB GLN 89 2HB GLN 89 -13.130 -6.919 -8.148 707 1HG GLN 89 1HG GLN 89 -12.330 -8.081 -6.043 708 2HG GLN 89 2HG GLN 89 -12.193 -6.486 -5.282 709 1HE2 GLN 89 2HE2 GLN 89 -14.328 -5.075 -5.706 710 2HE2 GLN 89 1HE2 GLN 89 -15.815 -5.926 -5.342 711 HA PRO 90 HA PRO 90 -7.816 -4.394 -6.371 712 1HB PRO 90 1HB PRO 90 -7.842 -1.778 -7.123 713 2HB PRO 90 2HB PRO 90 -7.383 -3.074 -8.261 714 1HG PRO 90 1HG PRO 90 -10.087 -1.743 -8.030 715 2HG PRO 90 2HG PRO 90 -9.120 -2.041 -9.501 716 1HD PRO 90 1HD PRO 90 -11.116 -3.732 -8.699 717 2HD PRO 90 2HD PRO 90 -9.628 -4.341 -9.486 718 H LYS 91 H LYS 91 -7.991 -4.162 -4.220 719 HA LYS 91 HA LYS 91 -10.343 -2.851 -3.000 720 1HB LYS 91 1HB LYS 91 -7.951 -4.286 -1.781 721 2HB LYS 91 2HB LYS 91 -9.348 -3.642 -0.900 722 1HG LYS 91 1HG LYS 91 -10.843 -5.159 -2.213 723 2HG LYS 91 2HG LYS 91 -9.414 -5.840 -3.013 724 1HD LYS 91 1HD LYS 91 -8.512 -6.382 -0.680 725 2HD LYS 91 2HD LYS 91 -10.107 -5.961 -0.043 726 1HE LYS 91 1HE LYS 91 -9.500 -8.146 -2.085 727 2HE LYS 91 2HE LYS 91 -9.825 -8.407 -0.372 728 1HZ LYS 91 1HZ LYS 91 -11.699 -7.282 -2.336 729 2HZ LYS 91 2HZ LYS 91 -11.740 -8.804 -1.709 730 3HZ LYS 91 3HZ LYS 91 -12.016 -7.506 -0.731 731 H ILE 92 H ILE 92 -10.108 -0.622 -3.362 732 HA ILE 92 HA ILE 92 -7.521 0.657 -2.953 733 HB ILE 92 HB ILE 92 -10.166 2.058 -3.368 734 1HG1 ILE 92 1HG1 ILE 92 -10.074 0.521 -5.211 735 2HG1 ILE 92 2HG1 ILE 92 -9.679 2.145 -5.758 736 1HG2 ILE 92 1HG2 ILE 92 -7.238 2.759 -3.894 737 2HG2 ILE 92 2HG2 ILE 92 -8.629 3.772 -4.337 738 3HG2 ILE 92 3HG2 ILE 92 -8.277 3.430 -2.633 739 1HD1 ILE 92 1HD1 ILE 92 -7.266 1.558 -5.815 740 2HD1 ILE 92 2HD1 ILE 92 -7.669 -0.089 -5.257 741 3HD1 ILE 92 3HD1 ILE 92 -8.252 0.495 -6.826 742 H VAL 93 H VAL 93 -7.216 -0.130 -0.789 743 HA VAL 93 HA VAL 93 -9.006 0.522 1.365 744 HB VAL 93 HB VAL 93 -6.075 -0.304 1.327 745 1HG1 VAL 93 1HG1 VAL 93 -6.554 0.846 3.453 746 2HG1 VAL 93 2HG1 VAL 93 -8.034 -0.113 3.665 747 3HG1 VAL 93 3HG1 VAL 93 -6.439 -0.889 3.722 748 1HG2 VAL 93 1HG2 VAL 93 -8.644 -1.871 1.863 749 2HG2 VAL 93 2HG2 VAL 93 -7.632 -2.007 0.410 750 3HG2 VAL 93 3HG2 VAL 93 -6.994 -2.511 1.975 751 H LYS 94 H LYS 94 -9.469 2.612 1.753 752 HA LYS 94 HA LYS 94 -7.698 4.809 1.470 753 1HB LYS 94 1HB LYS 94 -9.232 6.031 2.875 754 2HB LYS 94 2HB LYS 94 -10.064 5.179 1.564 755 1HG LYS 94 1HG LYS 94 -10.766 3.400 3.150 756 2HG LYS 94 2HG LYS 94 -9.945 4.240 4.472 757 1HD LYS 94 1HD LYS 94 -12.337 5.262 2.890 758 2HD LYS 94 2HD LYS 94 -12.309 4.639 4.541 759 1HE LYS 94 1HE LYS 94 -12.266 6.860 5.035 760 2HE LYS 94 2HE LYS 94 -10.521 6.589 4.936 761 1HZ LYS 94 1HZ LYS 94 -12.234 7.587 2.752 762 2HZ LYS 94 2HZ LYS 94 -11.315 8.535 3.733 763 3HZ LYS 94 3HZ LYS 94 -10.593 7.488 2.701 764 H TRP 95 H TRP 95 -6.119 5.611 2.724 765 HA TRP 95 HA TRP 95 -5.033 4.030 4.891 766 1HB TRP 95 1HB TRP 95 -3.389 5.106 3.664 767 2HB TRP 95 2HB TRP 95 -4.375 6.533 3.408 768 HD1 TRP 95 HD1 TRP 95 -3.042 5.057 6.734 769 HE1 TRP 95 HE1 TRP 95 -2.175 7.030 8.144 770 HE3 TRP 95 HE3 TRP 95 -3.358 8.761 3.241 771 HZ2 TRP 95 HZ2 TRP 95 -1.915 9.906 7.857 772 HZ3 TRP 95 HZ3 TRP 95 -2.724 11.071 3.802 773 HH2 TRP 95 HH2 TRP 95 -2.105 11.676 6.115 774 H ASP 96 H ASP 96 -6.099 3.963 6.820 775 HA ASP 96 HA ASP 96 -7.494 6.292 7.905 776 1HB ASP 96 1HB ASP 96 -8.268 3.989 8.388 777 2HB ASP 96 2HB ASP 96 -6.719 3.661 9.193 778 H ARG 97 H ARG 97 -6.684 7.648 9.395 779 HA ARG 97 HA ARG 97 -3.733 7.675 9.864 780 1HB ARG 97 1HB ARG 97 -3.996 10.106 10.139 781 2HB ARG 97 2HB ARG 97 -4.479 9.505 8.569 782 1HG ARG 97 1HG ARG 97 -6.920 9.495 9.995 783 2HG ARG 97 2HG ARG 97 -6.082 10.915 10.599 784 1HD ARG 97 1HD ARG 97 -7.478 11.465 8.678 785 2HD ARG 97 2HD ARG 97 -5.764 11.751 8.317 786 HE ARG 97 HE ARG 97 -6.505 9.110 7.479 787 1HH1 ARG 97 1HH2 ARG 97 -7.053 12.489 6.551 788 2HH1 ARG 97 2HH2 ARG 97 -7.222 12.126 4.850 789 1HH2 ARG 97 1HH1 ARG 97 -6.676 8.658 5.239 790 2HH2 ARG 97 2HH1 ARG 97 -7.106 9.912 4.108 791 H ASP 98 H ASP 98 -4.919 9.847 11.987 792 HA ASP 98 HA ASP 98 -4.723 8.121 14.288 793 1HB ASP 98 1HB ASP 98 -4.100 10.488 14.366 794 2HB ASP 98 2HB ASP 98 -5.745 10.972 13.929 795 H MET 99 H MET 99 -7.424 9.900 12.707 796 HA MET 99 HA MET 99 -9.260 7.740 12.840 797 1HB MET 99 1HB MET 99 -10.932 8.827 14.332 798 2HB MET 99 2HB MET 99 -9.491 8.294 15.197 799 1HG MET 99 1HG MET 99 -8.610 10.620 15.143 800 2HG MET 99 2HG MET 99 -10.082 11.150 14.321 801 1HE MET 99 1HE MET 99 -8.701 12.270 17.106 802 2HE MET 99 2HE MET 99 -10.041 13.025 16.212 803 3HE MET 99 3HE MET 99 -10.208 12.688 17.951 Start of MODEL 8 1 1H MET 0 1H MET 0 -8.825 -23.795 -1.757 2 2H MET 0 2H MET 0 -7.462 -23.865 -0.829 3 3H MET 0 3H MET 0 -8.281 -22.446 -0.967 4 HA MET 0 HA MET 0 -6.872 -23.835 -3.113 5 1HB MET 0 1HB MET 0 -8.180 -21.080 -3.158 6 2HB MET 0 2HB MET 0 -7.333 -21.890 -4.491 7 1HG MET 0 1HG MET 0 -9.065 -23.701 -4.430 8 2HG MET 0 2HG MET 0 -9.954 -22.754 -3.222 9 1HE MET 0 1HE MET 0 -11.454 -23.757 -5.579 10 2HE MET 0 2HE MET 0 -12.203 -22.548 -4.509 11 3HE MET 0 3HE MET 0 -12.260 -22.331 -6.273 12 H ILE 1 H ILE 1 -4.984 -22.518 -3.924 13 HA ILE 1 HA ILE 1 -3.453 -21.509 -1.613 14 HB ILE 1 HB ILE 1 -2.456 -21.962 -4.418 15 1HG1 ILE 1 1HG1 ILE 1 -3.477 -24.076 -3.837 16 2HG1 ILE 1 2HG1 ILE 1 -1.731 -24.209 -3.763 17 1HG2 ILE 1 1HG2 ILE 1 -1.070 -21.994 -1.697 18 2HG2 ILE 1 2HG2 ILE 1 -0.301 -22.370 -3.253 19 3HG2 ILE 1 3HG2 ILE 1 -0.926 -20.752 -2.940 20 1HD1 ILE 1 1HD1 ILE 1 -1.785 -24.099 -1.293 21 2HD1 ILE 1 2HD1 ILE 1 -3.551 -23.892 -1.330 22 3HD1 ILE 1 3HD1 ILE 1 -2.818 -25.395 -1.907 23 H GLN 2 H GLN 2 -5.548 -19.849 -2.277 24 HA GLN 2 HA GLN 2 -4.481 -17.568 -3.859 25 1HB GLN 2 1HB GLN 2 -7.250 -18.255 -2.861 26 2HB GLN 2 2HB GLN 2 -6.807 -16.829 -3.805 27 1HG GLN 2 1HG GLN 2 -5.997 -18.311 -5.645 28 2HG GLN 2 2HG GLN 2 -6.493 -19.729 -4.725 29 1HE2 GLN 2 2HE2 GLN 2 -7.484 -19.182 -7.323 30 2HE2 GLN 2 1HE2 GLN 2 -9.195 -18.839 -7.185 31 H ARG 3 H ARG 3 -2.952 -17.158 -1.843 32 HA ARG 3 HA ARG 3 -4.133 -16.714 0.706 33 1HB ARG 3 1HB ARG 3 -1.489 -15.790 -0.416 34 2HB ARG 3 2HB ARG 3 -2.035 -15.600 1.267 35 1HG ARG 3 1HG ARG 3 -2.343 -18.195 1.235 36 2HG ARG 3 2HG ARG 3 -1.269 -18.133 -0.188 37 1HD ARG 3 1HD ARG 3 0.309 -16.700 1.200 38 2HD ARG 3 2HD ARG 3 -0.771 -16.971 2.593 39 HE ARG 3 HE ARG 3 0.067 -19.473 1.492 40 1HH1 ARG 3 1HH2 ARG 3 1.225 -16.687 3.374 41 2HH1 ARG 3 2HH2 ARG 3 2.521 -17.584 4.134 42 1HH2 ARG 3 1HH1 ARG 3 1.815 -20.635 2.528 43 2HH2 ARG 3 2HH1 ARG 3 2.854 -19.790 3.657 44 H THR 4 H THR 4 -5.474 -15.141 1.282 45 HA THR 4 HA THR 4 -5.918 -12.776 -0.163 46 HB THR 4 HB THR 4 -6.596 -13.316 2.761 47 HG1 THR 4 HG1 THR 4 -7.914 -14.185 0.409 48 1HG2 THR 4 1HG2 THR 4 -8.620 -12.002 2.257 49 2HG2 THR 4 2HG2 THR 4 -7.167 -11.034 1.953 50 3HG2 THR 4 3HG2 THR 4 -8.065 -11.747 0.591 51 HA PRO 5 HA PRO 5 -2.432 -10.493 1.609 52 1HB PRO 5 1HB PRO 5 -2.952 -7.977 0.668 53 2HB PRO 5 2HB PRO 5 -2.417 -9.315 -0.386 54 1HG PRO 5 1HG PRO 5 -5.250 -8.356 0.102 55 2HG PRO 5 2HG PRO 5 -4.449 -8.660 -1.467 56 1HD PRO 5 1HD PRO 5 -6.054 -10.504 -0.272 57 2HD PRO 5 2HD PRO 5 -4.582 -11.013 -1.159 58 H LYS 6 H LYS 6 -2.102 -9.726 3.629 59 HA LYS 6 HA LYS 6 -4.277 -8.439 5.173 60 1HB LYS 6 1HB LYS 6 -2.911 -10.350 6.122 61 2HB LYS 6 2HB LYS 6 -1.504 -9.268 6.086 62 1HG LYS 6 1HG LYS 6 -2.943 -7.599 7.400 63 2HG LYS 6 2HG LYS 6 -4.138 -8.892 7.572 64 1HD LYS 6 1HD LYS 6 -2.441 -10.300 8.728 65 2HD LYS 6 2HD LYS 6 -1.249 -8.990 8.560 66 1HE LYS 6 1HE LYS 6 -2.729 -7.478 9.873 67 2HE LYS 6 2HE LYS 6 -3.909 -8.791 10.053 68 1HZ LYS 6 1HZ LYS 6 -2.251 -10.034 11.240 69 2HZ LYS 6 2HZ LYS 6 -1.160 -8.806 11.083 70 3HZ LYS 6 3HZ LYS 6 -2.533 -8.583 11.966 71 H ILE 7 H ILE 7 -4.384 -6.291 5.012 72 HA ILE 7 HA ILE 7 -2.098 -4.713 4.027 73 HB ILE 7 HB ILE 7 -4.785 -3.536 4.587 74 1HG1 ILE 7 1HG1 ILE 7 -5.599 -5.517 3.542 75 2HG1 ILE 7 2HG1 ILE 7 -5.705 -4.164 2.435 76 1HG2 ILE 7 1HG2 ILE 7 -2.814 -3.169 2.305 77 2HG2 ILE 7 2HG2 ILE 7 -4.256 -2.196 2.629 78 3HG2 ILE 7 3HG2 ILE 7 -2.897 -2.181 3.764 79 1HD1 ILE 7 1HD1 ILE 7 -3.671 -6.409 2.312 80 2HD1 ILE 7 2HD1 ILE 7 -5.006 -6.080 1.206 81 3HD1 ILE 7 3HD1 ILE 7 -3.628 -4.965 1.281 82 H GLN 8 H GLN 8 -0.940 -3.264 5.466 83 HA GLN 8 HA GLN 8 -2.437 -2.159 7.749 84 1HB GLN 8 1HB GLN 8 -0.314 -2.494 9.037 85 2HB GLN 8 2HB GLN 8 -1.367 -3.901 8.848 86 1HG GLN 8 1HG GLN 8 1.090 -3.386 7.152 87 2HG GLN 8 2HG GLN 8 1.126 -4.323 8.654 88 1HE2 GLN 8 2HE2 GLN 8 1.510 -4.958 5.607 89 2HE2 GLN 8 1HE2 GLN 8 0.504 -6.380 5.393 90 H VAL 9 H VAL 9 -2.638 -0.320 6.420 91 HA VAL 9 HA VAL 9 -0.312 1.005 5.329 92 HB VAL 9 HB VAL 9 -3.101 2.129 5.746 93 1HG1 VAL 9 1HG1 VAL 9 -1.352 3.820 5.187 94 2HG1 VAL 9 2HG1 VAL 9 -0.889 2.862 3.774 95 3HG1 VAL 9 3HG1 VAL 9 -2.503 3.593 3.869 96 1HG2 VAL 9 1HG2 VAL 9 -1.982 0.523 3.410 97 2HG2 VAL 9 2HG2 VAL 9 -3.357 0.084 4.451 98 3HG2 VAL 9 3HG2 VAL 9 -3.491 1.465 3.363 99 H TYR 10 H TYR 10 0.954 2.533 6.300 100 HA TYR 10 HA TYR 10 0.143 3.600 8.981 101 1HB TYR 10 1HB TYR 10 2.944 3.433 7.934 102 2HB TYR 10 2HB TYR 10 2.384 3.652 9.581 103 HD1 TYR 10 HD1 TYR 10 3.739 1.322 7.333 104 HD2 TYR 10 HD2 TYR 10 0.789 1.653 10.453 105 HE1 TYR 10 HE1 TYR 10 4.009 -1.089 7.826 106 HE2 TYR 10 HE2 TYR 10 0.993 -0.786 10.893 107 HH TYR 10 HH TYR 10 2.124 -2.705 10.436 108 H SER 11 H SER 11 0.796 5.683 9.504 109 HA SER 11 HA SER 11 2.021 7.403 7.436 110 1HB SER 11 1HB SER 11 0.927 9.390 8.523 111 2HB SER 11 2HB SER 11 -0.034 8.389 7.455 112 HG SER 11 HG SER 11 -0.824 7.334 9.420 113 H ARG 12 H ARG 12 3.993 8.107 8.219 114 HA ARG 12 HA ARG 12 4.839 7.083 10.797 115 1HB ARG 12 1HB ARG 12 6.175 8.525 8.512 116 2HB ARG 12 2HB ARG 12 6.963 8.480 10.093 117 1HG ARG 12 1HG ARG 12 7.740 6.623 8.737 118 2HG ARG 12 2HG ARG 12 6.887 6.055 10.177 119 1HD ARG 12 1HD ARG 12 4.841 5.642 8.732 120 2HD ARG 12 2HD ARG 12 5.782 6.174 7.342 121 HE ARG 12 HE ARG 12 7.017 4.214 7.375 122 1HH1 ARG 12 1HH2 ARG 12 4.886 4.236 10.232 123 2HH1 ARG 12 2HH2 ARG 12 4.912 2.501 10.394 124 1HH2 ARG 12 1HH1 ARG 12 7.022 1.979 7.606 125 2HH2 ARG 12 2HH1 ARG 12 6.188 1.212 8.939 126 H HIS 13 H HIS 13 4.935 10.468 9.534 127 HA HIS 13 HA HIS 13 4.424 11.495 12.259 128 1HB HIS 13 1HB HIS 13 4.456 13.020 9.650 129 2HB HIS 13 2HB HIS 13 4.524 13.675 11.284 130 HD2 HIS 13 HD2 HIS 13 6.826 13.182 8.477 131 HE1 HIS 13 HE1 HIS 13 9.242 12.448 11.875 132 HE2 HIS 13 HE2 HIS 13 9.280 12.917 9.363 133 HA PRO 14 HA PRO 14 0.052 11.137 11.426 134 1HB PRO 14 1HB PRO 14 -1.067 12.643 13.369 135 2HB PRO 14 2HB PRO 14 0.020 11.291 13.766 136 1HG PRO 14 1HG PRO 14 0.785 14.219 13.537 137 2HG PRO 14 2HG PRO 14 1.073 13.128 14.925 138 1HD PRO 14 1HD PRO 14 2.955 13.571 12.986 139 2HD PRO 14 2HD PRO 14 2.784 11.971 13.755 140 H ALA 15 H ALA 15 1.036 12.504 9.387 141 HA ALA 15 HA ALA 15 0.632 13.907 7.712 142 1HB ALA 15 1HB ALA 15 -1.691 13.185 7.990 143 2HB ALA 15 2HB ALA 15 -2.008 14.543 9.084 144 3HB ALA 15 3HB ALA 15 -1.590 14.854 7.399 145 H GLU 16 H GLU 16 0.514 16.181 7.019 146 HA GLU 16 HA GLU 16 0.295 18.243 8.987 147 1HB GLU 16 1HB GLU 16 2.698 17.682 9.352 148 2HB GLU 16 2HB GLU 16 3.000 17.890 7.622 149 1HG GLU 16 1HG GLU 16 3.681 19.902 8.871 150 2HG GLU 16 2HG GLU 16 2.332 20.298 7.806 151 H ASN 17 H ASN 17 -0.864 19.740 7.951 152 HA ASN 17 HA ASN 17 -1.697 19.501 5.335 153 1HB ASN 17 1HB ASN 17 -2.505 21.924 5.697 154 2HB ASN 17 2HB ASN 17 -3.142 20.608 6.676 155 1HD2 ASN 17 2HD2 ASN 17 -0.317 22.900 6.862 156 2HD2 ASN 17 1HD2 ASN 17 -0.551 23.251 8.565 157 H GLY 18 H GLY 18 -0.432 19.528 3.587 158 1HA GLY 18 1HA GLY 18 0.817 20.374 1.890 159 2HA GLY 18 2HA GLY 18 0.608 21.981 2.598 160 H LYS 19 H LYS 19 2.174 19.211 4.269 161 HA LYS 19 HA LYS 19 4.847 20.243 3.557 162 1HB LYS 19 1HB LYS 19 4.118 21.279 5.706 163 2HB LYS 19 2HB LYS 19 4.115 19.650 6.398 164 1HG LYS 19 1HG LYS 19 6.539 20.907 5.064 165 2HG LYS 19 2HG LYS 19 6.139 21.266 6.742 166 1HD LYS 19 1HD LYS 19 6.708 18.465 5.720 167 2HD LYS 19 2HD LYS 19 7.876 19.553 6.460 168 1HE LYS 19 1HE LYS 19 6.627 19.548 8.569 169 2HE LYS 19 2HE LYS 19 5.343 18.561 7.845 170 1HZ LYS 19 1HZ LYS 19 6.924 16.830 7.487 171 2HZ LYS 19 2HZ LYS 19 8.102 17.704 8.245 172 3HZ LYS 19 3HZ LYS 19 6.770 17.212 9.084 173 H SER 20 H SER 20 6.032 18.747 3.042 174 HA SER 20 HA SER 20 5.495 16.381 2.208 175 1HB SER 20 1HB SER 20 8.208 17.075 3.283 176 2HB SER 20 2HB SER 20 7.794 16.097 1.867 177 HG SER 20 HG SER 20 6.826 17.949 0.958 178 H ASN 21 H ASN 21 4.642 14.586 3.302 179 HA ASN 21 HA ASN 21 5.661 13.748 5.961 180 1HB ASN 21 1HB ASN 21 3.290 14.812 5.419 181 2HB ASN 21 2HB ASN 21 2.893 13.167 4.981 182 1HD2 ASN 21 2HD2 ASN 21 3.174 11.503 6.739 183 2HD2 ASN 21 1HD2 ASN 21 3.063 12.004 8.409 184 H PHE 22 H PHE 22 4.758 11.187 6.136 185 HA PHE 22 HA PHE 22 5.726 9.772 3.681 186 1HB PHE 22 1HB PHE 22 7.047 9.970 6.245 187 2HB PHE 22 2HB PHE 22 6.601 8.299 5.937 188 HD1 PHE 22 HD1 PHE 22 9.157 10.649 5.411 189 HD2 PHE 22 HD2 PHE 22 7.046 7.453 3.424 190 HE1 PHE 22 HE1 PHE 22 11.098 10.290 3.915 191 HE2 PHE 22 HE2 PHE 22 8.972 7.138 1.894 192 HZ PHE 22 HZ PHE 22 11.024 8.513 2.177 193 H LEU 23 H LEU 23 4.318 8.468 2.939 194 HA LEU 23 HA LEU 23 2.278 7.132 4.647 195 1HB LEU 23 1HB LEU 23 1.365 8.628 2.986 196 2HB LEU 23 2HB LEU 23 2.370 7.908 1.725 197 HG LEU 23 HG LEU 23 0.995 5.788 2.038 198 1HD1 LEU 23 1HD1 LEU 23 -0.607 7.674 3.841 199 2HD1 LEU 23 2HD1 LEU 23 -1.179 6.097 3.250 200 3HD1 LEU 23 3HD1 LEU 23 0.199 6.182 4.355 201 1HD2 LEU 23 1HD2 LEU 23 0.502 7.505 0.291 202 2HD2 LEU 23 2HD2 LEU 23 -0.992 6.769 0.911 203 3HD2 LEU 23 3HD2 LEU 23 -0.494 8.388 1.460 204 H ASN 24 H ASN 24 2.497 4.989 4.884 205 HA ASN 24 HA ASN 24 4.293 3.433 3.041 206 1HB ASN 24 1HB ASN 24 3.964 3.447 6.036 207 2HB ASN 24 2HB ASN 24 4.554 2.030 5.167 208 1HD2 ASN 24 2HD2 ASN 24 5.359 5.508 4.489 209 2HD2 ASN 24 1HD2 ASN 24 7.057 5.317 4.849 210 H CYS 25 H CYS 25 2.724 2.528 1.714 211 HA CYS 25 HA CYS 25 0.439 1.088 2.923 212 1HB CYS 25 1HB CYS 25 1.434 0.874 0.068 213 2HB CYS 25 2HB CYS 25 -0.096 0.355 0.731 214 H TYR 26 H TYR 26 1.169 -0.647 4.144 215 HA TYR 26 HA TYR 26 3.306 -2.366 2.982 216 1HB TYR 26 1HB TYR 26 3.820 -1.387 5.208 217 2HB TYR 26 2HB TYR 26 2.341 -2.053 5.838 218 HD1 TYR 26 HD1 TYR 26 4.765 -3.858 3.555 219 HD2 TYR 26 HD2 TYR 26 3.298 -3.393 7.564 220 HE1 TYR 26 HE1 TYR 26 5.525 -6.115 4.083 221 HE2 TYR 26 HE2 TYR 26 4.061 -5.674 8.117 222 HH TYR 26 HH TYR 26 5.903 -7.676 5.774 223 H VAL 27 H VAL 27 2.733 -4.394 2.339 224 HA VAL 27 HA VAL 27 0.100 -5.477 3.195 225 HB VAL 27 HB VAL 27 1.228 -5.786 0.365 226 1HG1 VAL 27 1HG1 VAL 27 -0.440 -7.476 1.241 227 2HG1 VAL 27 2HG1 VAL 27 -1.553 -6.140 1.537 228 3HG1 VAL 27 3HG1 VAL 27 -1.050 -6.525 -0.124 229 1HG2 VAL 27 1HG2 VAL 27 -0.817 -3.809 1.352 230 2HG2 VAL 27 2HG2 VAL 27 0.775 -3.414 0.658 231 3HG2 VAL 27 3HG2 VAL 27 -0.454 -4.188 -0.357 232 H SER 28 H SER 28 0.224 -7.765 3.600 233 HA SER 28 HA SER 28 2.530 -9.246 2.742 234 1HB SER 28 1HB SER 28 3.414 -9.776 4.998 235 2HB SER 28 2HB SER 28 3.515 -8.046 4.738 236 HG SER 28 HG SER 28 1.621 -7.817 5.974 237 H GLY 29 H GLY 29 2.567 -11.483 3.864 238 1HA GLY 29 1HA GLY 29 1.458 -13.314 4.749 239 2HA GLY 29 2HA GLY 29 -0.075 -12.437 4.737 240 H PHE 30 H PHE 30 0.787 -11.732 1.748 241 HA PHE 30 HA PHE 30 -0.863 -13.850 0.613 242 1HB PHE 30 1HB PHE 30 -1.007 -12.416 -1.312 243 2HB PHE 30 2HB PHE 30 -1.356 -11.541 0.139 244 HD1 PHE 30 HD1 PHE 30 1.109 -12.033 -2.558 245 HD2 PHE 30 HD2 PHE 30 0.047 -9.614 0.856 246 HE1 PHE 30 HE1 PHE 30 3.049 -10.580 -2.991 247 HE2 PHE 30 HE2 PHE 30 1.975 -8.139 0.377 248 HZ PHE 30 HZ PHE 30 3.534 -8.708 -1.462 249 H HIS 31 H HIS 31 -0.158 -14.664 -1.649 250 HA HIS 31 HA HIS 31 2.462 -14.421 -2.658 251 1HB HIS 31 1HB HIS 31 3.555 -16.337 -2.250 252 2HB HIS 31 2HB HIS 31 2.787 -16.154 -0.690 253 HD2 HIS 31 HD2 HIS 31 2.187 -18.184 -4.012 254 HE1 HIS 31 HE1 HIS 31 0.903 -20.476 -0.693 255 HE2 HIS 31 HE2 HIS 31 1.244 -20.506 -3.231 256 HA PRO 32 HA PRO 32 3.437 -15.939 -4.526 257 1HB PRO 32 1HB PRO 32 3.605 -16.056 -7.230 258 2HB PRO 32 2HB PRO 32 2.882 -17.379 -6.297 259 1HG PRO 32 1HG PRO 32 1.407 -15.072 -7.603 260 2HG PRO 32 2HG PRO 32 1.150 -16.821 -7.884 261 1HD PRO 32 1HD PRO 32 -0.323 -15.437 -6.063 262 2HD PRO 32 2HD PRO 32 0.188 -17.113 -5.742 263 H SER 33 H SER 33 4.599 -14.538 -6.705 264 HA SER 33 HA SER 33 4.949 -12.100 -5.247 265 1HB SER 33 1HB SER 33 7.026 -12.045 -6.576 266 2HB SER 33 2HB SER 33 6.731 -13.705 -6.017 267 HG SER 33 HG SER 33 6.161 -12.666 -8.579 268 H ASP 34 H ASP 34 2.505 -12.237 -7.157 269 HA ASP 34 HA ASP 34 3.270 -10.020 -9.027 270 1HB ASP 34 1HB ASP 34 2.897 -12.184 -10.110 271 2HB ASP 34 2HB ASP 34 1.292 -12.290 -9.385 272 H ILE 35 H ILE 35 2.729 -8.525 -7.290 273 HA ILE 35 HA ILE 35 -0.191 -7.973 -7.190 274 HB ILE 35 HB ILE 35 0.543 -8.898 -5.140 275 1HG1 ILE 35 1HG1 ILE 35 0.202 -5.917 -4.621 276 2HG1 ILE 35 2HG1 ILE 35 -1.116 -6.959 -5.138 277 1HG2 ILE 35 1HG2 ILE 35 2.499 -6.622 -4.921 278 2HG2 ILE 35 2HG2 ILE 35 2.162 -7.869 -3.693 279 3HG2 ILE 35 3HG2 ILE 35 2.909 -8.343 -5.218 280 1HD1 ILE 35 1HD1 ILE 35 -0.581 -8.463 -3.140 281 2HD1 ILE 35 2HD1 ILE 35 0.454 -7.167 -2.550 282 3HD1 ILE 35 3HD1 ILE 35 -1.268 -6.860 -2.786 283 H GLU 36 H GLU 36 -0.849 -5.905 -7.146 284 HA GLU 36 HA GLU 36 1.006 -3.770 -8.089 285 1HB GLU 36 1HB GLU 36 -1.966 -3.960 -8.583 286 2HB GLU 36 2HB GLU 36 -0.777 -2.882 -9.312 287 1HG GLU 36 1HG GLU 36 0.356 -5.030 -10.178 288 2HG GLU 36 2HG GLU 36 -1.105 -5.879 -9.696 289 H VAL 37 H VAL 37 1.060 -1.909 -6.916 290 HA VAL 37 HA VAL 37 -1.146 -1.115 -5.143 291 HB VAL 37 HB VAL 37 1.730 -1.492 -4.187 292 1HG1 VAL 37 1HG1 VAL 37 0.609 0.473 -3.052 293 2HG1 VAL 37 2HG1 VAL 37 -0.639 -0.650 -2.469 294 3HG1 VAL 37 3HG1 VAL 37 1.038 -0.865 -1.979 295 1HG2 VAL 37 1HG2 VAL 37 -0.858 -2.974 -3.586 296 2HG2 VAL 37 2HG2 VAL 37 0.661 -3.638 -4.238 297 3HG2 VAL 37 3HG2 VAL 37 0.567 -3.096 -2.556 298 H ASP 38 H ASP 38 -1.429 0.372 -6.902 299 HA ASP 38 HA ASP 38 0.499 2.561 -7.239 300 1HB ASP 38 1HB ASP 38 -2.436 2.339 -8.076 301 2HB ASP 38 2HB ASP 38 -1.325 3.637 -8.485 302 H LEU 39 H LEU 39 0.622 4.234 -5.783 303 HA LEU 39 HA LEU 39 -1.434 4.517 -3.697 304 1HB LEU 39 1HB LEU 39 1.249 5.893 -4.103 305 2HB LEU 39 2HB LEU 39 0.090 6.207 -2.800 306 HG LEU 39 HG LEU 39 0.200 3.688 -2.289 307 1HD1 LEU 39 1HD1 LEU 39 2.801 3.978 -3.795 308 2HD1 LEU 39 2HD1 LEU 39 2.390 2.610 -2.747 309 3HD1 LEU 39 3HD1 LEU 39 1.497 2.864 -4.239 310 1HD2 LEU 39 1HD2 LEU 39 1.214 5.482 -0.860 311 2HD2 LEU 39 2HD2 LEU 39 2.242 4.037 -0.877 312 3HD2 LEU 39 3HD2 LEU 39 2.671 5.421 -1.886 313 H LEU 40 H LEU 40 -2.997 6.021 -3.758 314 HA LEU 40 HA LEU 40 -3.262 7.674 -6.229 315 1HB LEU 40 1HB LEU 40 -4.266 5.220 -5.967 316 2HB LEU 40 2HB LEU 40 -5.467 6.036 -4.989 317 HG LEU 40 HG LEU 40 -6.268 5.682 -7.215 318 1HD1 LEU 40 1HD1 LEU 40 -6.998 7.763 -6.138 319 2HD1 LEU 40 2HD1 LEU 40 -5.669 8.651 -6.925 320 3HD1 LEU 40 3HD1 LEU 40 -6.947 7.911 -7.901 321 1HD2 LEU 40 1HD2 LEU 40 -3.986 7.340 -8.308 322 2HD2 LEU 40 2HD2 LEU 40 -4.011 5.564 -8.297 323 3HD2 LEU 40 3HD2 LEU 40 -5.224 6.471 -9.221 324 H LYS 41 H LYS 41 -3.783 9.848 -5.695 325 HA LYS 41 HA LYS 41 -4.745 10.419 -2.995 326 1HB LYS 41 1HB LYS 41 -4.277 12.282 -5.321 327 2HB LYS 41 2HB LYS 41 -4.581 12.731 -3.626 328 1HG LYS 41 1HG LYS 41 -2.489 12.714 -3.177 329 2HG LYS 41 2HG LYS 41 -2.459 10.977 -3.442 330 1HD LYS 41 1HD LYS 41 -0.738 11.947 -4.773 331 2HD LYS 41 2HD LYS 41 -1.982 11.386 -5.870 332 1HE LYS 41 1HE LYS 41 -1.054 13.587 -6.525 333 2HE LYS 41 2HE LYS 41 -2.786 13.697 -6.200 334 1HZ LYS 41 1HZ LYS 41 -0.770 14.410 -4.194 335 2HZ LYS 41 2HZ LYS 41 -1.449 15.487 -5.248 336 3HZ LYS 41 3HZ LYS 41 -2.403 14.704 -4.177 337 H ASN 42 H ASN 42 -6.295 12.697 -4.384 338 HA ASN 42 HA ASN 42 -8.948 11.623 -4.088 339 1HB ASN 42 1HB ASN 42 -9.655 13.846 -4.779 340 2HB ASN 42 2HB ASN 42 -8.313 14.019 -3.646 341 1HD2 ASN 42 2HD2 ASN 42 -6.169 14.673 -4.509 342 2HD2 ASN 42 1HD2 ASN 42 -6.057 15.412 -6.084 343 H GLY 43 H GLY 43 -6.673 11.749 -6.732 344 1HA GLY 43 1HA GLY 43 -8.424 10.257 -8.478 345 2HA GLY 43 2HA GLY 43 -8.267 11.950 -8.980 346 H GLU 44 H GLU 44 -5.525 12.372 -8.189 347 HA GLU 44 HA GLU 44 -4.257 11.212 -10.544 348 1HB GLU 44 1HB GLU 44 -4.013 13.591 -9.968 349 2HB GLU 44 2HB GLU 44 -3.273 13.162 -8.421 350 1HG GLU 44 1HG GLU 44 -1.607 13.869 -10.060 351 2HG GLU 44 2HG GLU 44 -1.328 12.197 -9.588 352 H ARG 45 H ARG 45 -2.333 9.950 -10.517 353 HA ARG 45 HA ARG 45 -1.986 8.333 -8.043 354 1HB ARG 45 1HB ARG 45 -1.477 6.509 -9.245 355 2HB ARG 45 2HB ARG 45 -2.640 7.264 -10.339 356 1HG ARG 45 1HG ARG 45 -0.757 8.142 -11.714 357 2HG ARG 45 2HG ARG 45 0.410 7.411 -10.586 358 1HD ARG 45 1HD ARG 45 -0.584 5.183 -10.994 359 2HD ARG 45 2HD ARG 45 -1.588 5.894 -12.278 360 HE ARG 45 HE ARG 45 0.941 6.706 -12.952 361 1HH1 ARG 45 1HH2 ARG 45 -0.292 3.463 -12.108 362 2HH1 ARG 45 2HH2 ARG 45 0.630 2.673 -13.353 363 1HH2 ARG 45 1HH1 ARG 45 2.339 5.604 -14.364 364 2HH2 ARG 45 2HH1 ARG 45 2.154 3.886 -14.628 365 H ILE 46 H ILE 46 0.059 7.750 -7.311 366 HA ILE 46 HA ILE 46 2.150 9.766 -7.666 367 HB ILE 46 HB ILE 46 1.429 7.621 -5.639 368 1HG1 ILE 46 1HG1 ILE 46 1.265 10.640 -5.294 369 2HG1 ILE 46 2HG1 ILE 46 -0.109 9.724 -5.913 370 1HG2 ILE 46 1HG2 ILE 46 3.819 8.018 -5.644 371 2HG2 ILE 46 2HG2 ILE 46 3.541 9.784 -5.590 372 3HG2 ILE 46 3HG2 ILE 46 3.044 8.747 -4.220 373 1HD1 ILE 46 1HD1 ILE 46 -0.017 8.252 -3.869 374 2HD1 ILE 46 2HD1 ILE 46 1.114 9.434 -3.177 375 3HD1 ILE 46 3HD1 ILE 46 -0.528 9.909 -3.679 376 H GLU 47 H GLU 47 3.469 9.048 -9.414 377 HA GLU 47 HA GLU 47 3.635 6.249 -10.038 378 1HB GLU 47 1HB GLU 47 3.382 8.119 -11.658 379 2HB GLU 47 2HB GLU 47 5.045 8.632 -11.302 380 1HG GLU 47 1HG GLU 47 5.927 6.567 -12.143 381 2HG GLU 47 2HG GLU 47 4.318 5.815 -12.189 382 H LYS 48 H LYS 48 5.874 8.719 -8.694 383 HA LYS 48 HA LYS 48 8.043 6.783 -8.432 384 1HB LYS 48 1HB LYS 48 8.638 9.022 -8.885 385 2HB LYS 48 2HB LYS 48 7.722 9.641 -7.510 386 1HG LYS 48 1HG LYS 48 10.133 9.681 -7.184 387 2HG LYS 48 2HG LYS 48 9.342 8.746 -5.938 388 1HD LYS 48 1HD LYS 48 10.609 7.397 -8.368 389 2HD LYS 48 2HD LYS 48 11.568 7.917 -6.978 390 1HE LYS 48 1HE LYS 48 9.857 6.540 -5.534 391 2HE LYS 48 2HE LYS 48 9.459 5.765 -7.082 392 1HZ LYS 48 1HZ LYS 48 11.792 5.232 -7.303 393 2HZ LYS 48 2HZ LYS 48 12.078 5.829 -5.784 394 3HZ LYS 48 3HZ LYS 48 11.079 4.544 -5.984 395 H VAL 49 H VAL 49 6.609 5.241 -7.419 396 HA VAL 49 HA VAL 49 6.312 5.490 -4.464 397 HB VAL 49 HB VAL 49 5.778 3.128 -6.331 398 1HG1 VAL 49 1HG1 VAL 49 6.176 2.415 -4.052 399 2HG1 VAL 49 2HG1 VAL 49 5.058 3.636 -3.415 400 3HG1 VAL 49 3HG1 VAL 49 4.456 2.280 -4.401 401 1HG2 VAL 49 1HG2 VAL 49 3.904 5.314 -5.389 402 2HG2 VAL 49 2HG2 VAL 49 4.270 4.764 -7.042 403 3HG2 VAL 49 3HG2 VAL 49 3.344 3.723 -5.971 404 H GLU 50 H GLU 50 8.024 4.700 -3.188 405 HA GLU 50 HA GLU 50 10.162 3.143 -4.553 406 1HB GLU 50 1HB GLU 50 10.584 5.463 -3.400 407 2HB GLU 50 2HB GLU 50 10.523 4.531 -1.891 408 1HG GLU 50 1HG GLU 50 12.461 3.339 -2.418 409 2HG GLU 50 2HG GLU 50 12.249 3.541 -4.162 410 H HIS 51 H HIS 51 11.181 1.520 -2.884 411 HA HIS 51 HA HIS 51 9.110 0.406 -1.127 412 1HB HIS 51 1HB HIS 51 9.122 -1.788 -2.257 413 2HB HIS 51 2HB HIS 51 8.475 -0.508 -3.268 414 HD2 HIS 51 HD2 HIS 51 12.315 -1.642 -3.045 415 HE1 HIS 51 HE1 HIS 51 10.851 -2.216 -6.961 416 HE2 HIS 51 HE2 HIS 51 12.897 -2.441 -5.442 417 H SER 52 H SER 52 9.747 -1.443 0.036 418 HA SER 52 HA SER 52 12.599 -1.433 0.836 419 1HB SER 52 1HB SER 52 10.805 -1.427 2.543 420 2HB SER 52 2HB SER 52 10.257 -3.015 1.951 421 HG SER 52 HG SER 52 12.835 -2.402 2.978 422 H ASP 53 H ASP 53 10.780 -2.864 -1.578 423 HA ASP 53 HA ASP 53 11.139 -4.447 -3.060 424 1HB ASP 53 1HB ASP 53 13.662 -3.848 -2.485 425 2HB ASP 53 2HB ASP 53 13.675 -5.474 -1.792 426 H LEU 54 H LEU 54 11.705 -7.056 -3.110 427 HA LEU 54 HA LEU 54 9.534 -8.014 -1.479 428 1HB LEU 54 1HB LEU 54 10.074 -8.645 -3.919 429 2HB LEU 54 2HB LEU 54 11.259 -9.758 -3.241 430 HG LEU 54 HG LEU 54 9.254 -10.964 -3.681 431 1HD1 LEU 54 1HD1 LEU 54 10.352 -11.449 -1.468 432 2HD1 LEU 54 2HD1 LEU 54 9.005 -10.559 -0.707 433 3HD1 LEU 54 3HD1 LEU 54 8.681 -11.986 -1.661 434 1HD2 LEU 54 1HD2 LEU 54 7.701 -8.817 -2.193 435 2HD2 LEU 54 2HD2 LEU 54 7.619 -9.223 -3.915 436 3HD2 LEU 54 3HD2 LEU 54 7.028 -10.337 -2.675 437 H SER 55 H SER 55 9.681 -8.721 0.473 438 HA SER 55 HA SER 55 12.094 -10.164 1.469 439 1HB SER 55 1HB SER 55 12.117 -7.879 2.395 440 2HB SER 55 2HB SER 55 10.440 -8.063 2.939 441 HG SER 55 HG SER 55 11.927 -8.527 4.603 442 H PHE 56 H PHE 56 11.110 -12.186 1.155 443 HA PHE 56 HA PHE 56 8.363 -12.607 2.131 444 1HB PHE 56 1HB PHE 56 8.494 -14.751 1.173 445 2HB PHE 56 2HB PHE 56 8.959 -13.529 0.015 446 HD1 PHE 56 HD1 PHE 56 9.779 -16.665 1.470 447 HD2 PHE 56 HD2 PHE 56 11.440 -13.247 -0.554 448 HE1 PHE 56 HE1 PHE 56 11.760 -18.011 0.812 449 HE2 PHE 56 HE2 PHE 56 13.468 -14.556 -1.114 450 HZ PHE 56 HZ PHE 56 13.634 -16.941 -0.432 451 H SER 57 H SER 57 10.703 -11.950 3.968 452 HA SER 57 HA SER 57 11.675 -12.509 5.873 453 1HB SER 57 1HB SER 57 10.167 -13.232 7.639 454 2HB SER 57 2HB SER 57 9.408 -12.062 6.559 455 HG SER 57 HG SER 57 8.615 -14.128 5.470 456 H LYS 58 H LYS 58 12.797 -14.300 4.178 457 HA LYS 58 HA LYS 58 12.194 -16.507 3.172 458 1HB LYS 58 1HB LYS 58 14.570 -15.662 3.881 459 2HB LYS 58 2HB LYS 58 14.422 -16.769 5.254 460 1HG LYS 58 1HG LYS 58 14.214 -18.680 3.678 461 2HG LYS 58 2HG LYS 58 14.186 -17.554 2.307 462 1HD LYS 58 1HD LYS 58 16.472 -16.797 2.877 463 2HD LYS 58 2HD LYS 58 16.508 -17.920 4.253 464 1HE LYS 58 1HE LYS 58 16.293 -19.843 2.732 465 2HE LYS 58 2HE LYS 58 16.107 -18.758 1.340 466 1HZ LYS 58 1HZ LYS 58 18.504 -18.955 3.020 467 2HZ LYS 58 2HZ LYS 58 18.321 -19.593 1.512 468 3HZ LYS 58 3HZ LYS 58 18.307 -17.960 1.720 469 H ASP 59 H ASP 59 10.107 -16.373 4.818 470 HA ASP 59 HA ASP 59 10.002 -19.058 6.049 471 1HB ASP 59 1HB ASP 59 9.483 -16.884 7.236 472 2HB ASP 59 2HB ASP 59 8.002 -16.823 6.280 473 H TRP 60 H TRP 60 7.261 -19.479 5.923 474 HA TRP 60 HA TRP 60 6.527 -19.859 3.084 475 1HB TRP 60 1HB TRP 60 5.144 -20.668 5.668 476 2HB TRP 60 2HB TRP 60 4.661 -21.120 4.032 477 HD1 TRP 60 HD1 TRP 60 7.428 -21.744 6.611 478 HE1 TRP 60 HE1 TRP 60 8.600 -23.992 6.097 479 HE3 TRP 60 HE3 TRP 60 5.132 -22.889 2.177 480 HZ2 TRP 60 HZ2 TRP 60 8.574 -25.969 4.038 481 HZ3 TRP 60 HZ3 TRP 60 5.735 -24.958 0.962 482 HH2 TRP 60 HH2 TRP 60 7.460 -26.496 1.871 483 H SER 61 H SER 61 6.732 -17.352 3.145 484 HA SER 61 HA SER 61 4.064 -16.120 3.375 485 1HB SER 61 1HB SER 61 6.502 -15.247 4.983 486 2HB SER 61 2HB SER 61 5.132 -14.169 4.664 487 HG SER 61 HG SER 61 4.972 -16.735 5.866 488 H PHE 62 H PHE 62 4.535 -13.615 2.660 489 HA PHE 62 HA PHE 62 6.705 -13.184 0.837 490 1HB PHE 62 1HB PHE 62 4.578 -14.643 -0.282 491 2HB PHE 62 2HB PHE 62 4.223 -12.970 -0.727 492 HD1 PHE 62 HD1 PHE 62 6.838 -15.638 -0.887 493 HD2 PHE 62 HD2 PHE 62 5.344 -11.947 -2.559 494 HE1 PHE 62 HE1 PHE 62 8.601 -15.702 -2.550 495 HE2 PHE 62 HE2 PHE 62 7.104 -12.024 -4.240 496 HZ PHE 62 HZ PHE 62 8.743 -13.908 -4.301 497 H TYR 63 H TYR 63 6.935 -10.866 0.758 498 HA TYR 63 HA TYR 63 4.583 -9.209 0.721 499 1HB TYR 63 1HB TYR 63 4.971 -8.004 2.857 500 2HB TYR 63 2HB TYR 63 4.506 -9.681 3.062 501 HD1 TYR 63 HD1 TYR 63 7.382 -7.401 3.219 502 HD2 TYR 63 HD2 TYR 63 5.657 -11.169 4.400 503 HE1 TYR 63 HE1 TYR 63 9.010 -7.548 5.047 504 HE2 TYR 63 HE2 TYR 63 7.264 -11.328 6.247 505 HH TYR 63 HH TYR 63 8.960 -10.229 7.445 506 H LEU 64 H LEU 64 5.219 -6.847 1.142 507 HA LEU 64 HA LEU 64 7.910 -6.042 0.871 508 1HB LEU 64 1HB LEU 64 7.910 -5.033 -1.331 509 2HB LEU 64 2HB LEU 64 7.717 -6.768 -1.460 510 HG LEU 64 HG LEU 64 5.598 -4.655 -1.866 511 1HD1 LEU 64 1HD1 LEU 64 6.760 -6.726 -3.785 512 2HD1 LEU 64 2HD1 LEU 64 5.486 -5.573 -4.177 513 3HD1 LEU 64 3HD1 LEU 64 7.111 -4.976 -3.815 514 1HD2 LEU 64 1HD2 LEU 64 5.410 -7.681 -1.842 515 2HD2 LEU 64 2HD2 LEU 64 4.353 -6.521 -0.973 516 3HD2 LEU 64 3HD2 LEU 64 4.238 -6.710 -2.723 517 H LEU 65 H LEU 65 8.082 -3.768 1.081 518 HA LEU 65 HA LEU 65 5.614 -2.440 2.061 519 1HB LEU 65 1HB LEU 65 7.902 -2.932 3.374 520 2HB LEU 65 2HB LEU 65 8.430 -1.482 2.513 521 HG LEU 65 HG LEU 65 6.059 -1.761 4.416 522 1HD1 LEU 65 1HD1 LEU 65 8.302 -1.757 5.441 523 2HD1 LEU 65 2HD1 LEU 65 8.685 -0.242 4.594 524 3HD1 LEU 65 3HD1 LEU 65 7.406 -0.272 5.832 525 1HD2 LEU 65 1HD2 LEU 65 6.937 0.479 2.585 526 2HD2 LEU 65 2HD2 LEU 65 5.296 -0.121 2.915 527 3HD2 LEU 65 3HD2 LEU 65 6.145 0.844 4.127 528 H TYR 66 H TYR 66 4.907 -0.599 0.955 529 HA TYR 66 HA TYR 66 6.543 0.298 -1.353 530 1HB TYR 66 1HB TYR 66 3.517 0.031 -1.496 531 2HB TYR 66 2HB TYR 66 4.686 0.084 -2.793 532 HD1 TYR 66 HD1 TYR 66 3.834 -2.211 0.186 533 HD2 TYR 66 HD2 TYR 66 4.718 -1.946 -4.042 534 HE1 TYR 66 HE1 TYR 66 2.777 -4.338 -0.160 535 HE2 TYR 66 HE2 TYR 66 3.525 -4.088 -4.374 536 HH TYR 66 HH TYR 66 1.782 -5.718 -1.705 537 H TYR 67 H TYR 67 7.159 2.194 -0.335 538 HA TYR 67 HA TYR 67 5.048 3.918 0.824 539 1HB TYR 67 1HB TYR 67 7.154 5.087 1.786 540 2HB TYR 67 2HB TYR 67 6.416 3.657 2.452 541 HD1 TYR 67 HD1 TYR 67 8.889 4.088 -0.366 542 HD2 TYR 67 HD2 TYR 67 7.993 2.346 3.456 543 HE1 TYR 67 HE1 TYR 67 11.056 2.892 -0.404 544 HE2 TYR 67 HE2 TYR 67 10.150 1.138 3.417 545 HH TYR 67 HH TYR 67 12.411 1.323 0.667 546 H THR 68 H THR 68 4.916 6.027 0.460 547 HA THR 68 HA THR 68 6.633 7.353 -1.609 548 HB THR 68 HB THR 68 4.520 6.826 -2.512 549 HG1 THR 68 HG1 THR 68 4.844 9.603 -2.067 550 1HG2 THR 68 1HG2 THR 68 3.302 8.849 -0.559 551 2HG2 THR 68 2HG2 THR 68 2.467 7.898 -1.796 552 3HG2 THR 68 3HG2 THR 68 3.132 7.095 -0.362 553 H GLU 69 H GLU 69 6.750 9.746 -1.255 554 HA GLU 69 HA GLU 69 6.573 10.619 1.556 555 1HB GLU 69 1HB GLU 69 8.558 10.878 -0.239 556 2HB GLU 69 2HB GLU 69 7.705 12.378 -0.569 557 1HG GLU 69 1HG GLU 69 8.649 11.416 2.175 558 2HG GLU 69 2HG GLU 69 9.571 12.487 1.117 559 H PHE 70 H PHE 70 4.250 10.670 1.635 560 HA PHE 70 HA PHE 70 2.751 12.106 -0.393 561 1HB PHE 70 1HB PHE 70 0.833 11.467 0.599 562 2HB PHE 70 2HB PHE 70 1.873 10.114 0.981 563 HD1 PHE 70 HD1 PHE 70 -0.517 12.535 2.208 564 HD2 PHE 70 HD2 PHE 70 3.007 10.393 3.368 565 HE1 PHE 70 HE1 PHE 70 -0.943 13.036 4.586 566 HE2 PHE 70 HE2 PHE 70 2.120 10.250 5.717 567 HZ PHE 70 HZ PHE 70 0.242 11.732 6.349 568 H THR 71 H THR 71 2.205 14.154 -0.396 569 HA THR 71 HA THR 71 2.552 15.877 2.018 570 HB THR 71 HB THR 71 2.466 16.652 -0.871 571 HG1 THR 71 HG1 THR 71 4.309 15.442 -0.188 572 1HG2 THR 71 1HG2 THR 71 3.268 18.809 0.044 573 2HG2 THR 71 2HG2 THR 71 1.676 18.419 0.724 574 3HG2 THR 71 3HG2 THR 71 3.141 18.169 1.693 575 HA PRO 72 HA PRO 72 -2.059 15.625 1.459 576 1HB PRO 72 1HB PRO 72 -2.877 16.159 3.972 577 2HB PRO 72 2HB PRO 72 -2.108 14.614 3.527 578 1HG PRO 72 1HG PRO 72 -0.823 17.036 4.800 579 2HG PRO 72 2HG PRO 72 -0.659 15.343 5.322 580 1HD PRO 72 1HD PRO 72 1.185 16.621 3.732 581 2HD PRO 72 2HD PRO 72 0.877 14.868 3.605 582 H THR 73 H THR 73 -1.915 17.458 0.015 583 HA THR 73 HA THR 73 -1.787 20.171 1.075 584 HB THR 73 HB THR 73 -2.482 19.314 -1.640 585 HG1 THR 73 HG1 THR 73 0.121 19.604 -0.558 586 1HG2 THR 73 1HG2 THR 73 -0.920 21.723 -0.573 587 2HG2 THR 73 2HG2 THR 73 -1.239 21.403 -2.289 588 3HG2 THR 73 3HG2 THR 73 -2.582 21.783 -1.196 589 H GLU 74 H GLU 74 -3.690 19.177 2.392 590 HA GLU 74 HA GLU 74 -5.740 19.482 3.204 591 1HB GLU 74 1HB GLU 74 -5.396 21.790 2.512 592 2HB GLU 74 2HB GLU 74 -6.168 21.506 0.951 593 1HG GLU 74 1HG GLU 74 -7.648 20.792 3.502 594 2HG GLU 74 2HG GLU 74 -7.511 22.486 3.016 595 H LYS 75 H LYS 75 -6.438 19.676 -0.321 596 HA LYS 75 HA LYS 75 -8.651 17.760 0.100 597 1HB LYS 75 1HB LYS 75 -8.736 20.145 -0.949 598 2HB LYS 75 2HB LYS 75 -8.175 19.370 -2.423 599 1HG LYS 75 1HG LYS 75 -10.114 17.881 -2.426 600 2HG LYS 75 2HG LYS 75 -10.609 18.421 -0.820 601 1HD LYS 75 1HD LYS 75 -10.642 20.046 -3.390 602 2HD LYS 75 2HD LYS 75 -12.030 19.444 -2.479 603 1HE LYS 75 1HE LYS 75 -10.132 21.698 -1.732 604 2HE LYS 75 2HE LYS 75 -11.870 21.772 -2.008 605 1HZ LYS 75 1HZ LYS 75 -12.207 20.523 -0.004 606 2HZ LYS 75 2HZ LYS 75 -10.577 20.400 0.255 607 3HZ LYS 75 3HZ LYS 75 -11.291 21.862 0.305 608 H ASP 76 H ASP 76 -6.289 16.478 0.273 609 HA ASP 76 HA ASP 76 -6.265 14.750 -2.150 610 1HB ASP 76 1HB ASP 76 -3.819 15.933 -0.783 611 2HB ASP 76 2HB ASP 76 -3.789 14.487 -1.804 612 H GLU 77 H GLU 77 -7.498 13.265 -1.108 613 HA GLU 77 HA GLU 77 -6.630 12.112 1.476 614 1HB GLU 77 1HB GLU 77 -8.981 12.467 1.210 615 2HB GLU 77 2HB GLU 77 -9.022 11.623 -0.346 616 1HG GLU 77 1HG GLU 77 -8.675 9.504 0.635 617 2HG GLU 77 2HG GLU 77 -8.017 10.182 2.124 618 H TYR 78 H TYR 78 -4.719 11.055 1.085 619 HA TYR 78 HA TYR 78 -4.230 9.514 -1.282 620 1HB TYR 78 1HB TYR 78 -2.742 9.626 1.338 621 2HB TYR 78 2HB TYR 78 -2.295 8.635 -0.037 622 HD1 TYR 78 HD1 TYR 78 -0.603 9.485 -1.374 623 HD2 TYR 78 HD2 TYR 78 -3.089 12.239 0.791 624 HE1 TYR 78 HE1 TYR 78 0.635 11.407 -2.373 625 HE2 TYR 78 HE2 TYR 78 -1.961 14.132 -0.326 626 HH TYR 78 HH TYR 78 -0.083 14.793 -1.520 627 H ALA 79 H ALA 79 -4.071 7.347 -1.545 628 HA ALA 79 HA ALA 79 -5.284 5.481 0.385 629 1HB ALA 79 1HB ALA 79 -6.350 5.916 -2.451 630 2HB ALA 79 2HB ALA 79 -6.914 4.702 -1.287 631 3HB ALA 79 3HB ALA 79 -7.175 6.429 -0.967 632 H CYS 80 H CYS 80 -5.009 3.263 -0.317 633 HA CYS 80 HA CYS 80 -2.560 2.806 -1.983 634 1HB CYS 80 1HB CYS 80 -3.737 1.222 0.334 635 2HB CYS 80 2HB CYS 80 -2.250 0.844 -0.535 636 H ARG 81 H ARG 81 -3.252 1.952 -3.999 637 HA ARG 81 HA ARG 81 -5.673 0.375 -4.309 638 1HB ARG 81 1HB ARG 81 -4.543 1.465 -6.243 639 2HB ARG 81 2HB ARG 81 -3.107 0.483 -5.907 640 1HG ARG 81 1HG ARG 81 -4.531 -1.591 -6.354 641 2HG ARG 81 2HG ARG 81 -5.792 -0.480 -6.913 642 1HD ARG 81 1HD ARG 81 -4.212 0.345 -8.664 643 2HD ARG 81 2HD ARG 81 -2.949 -0.707 -7.983 644 HE ARG 81 HE ARG 81 -5.309 -2.198 -8.667 645 1HH1 ARG 81 1HH2 ARG 81 -2.396 -0.744 -10.108 646 2HH1 ARG 81 2HH2 ARG 81 -2.165 -2.063 -11.232 647 1HH2 ARG 81 1HH1 ARG 81 -5.101 -3.796 -10.261 648 2HH2 ARG 81 2HH1 ARG 81 -3.760 -3.756 -11.377 649 H VAL 82 H VAL 82 -5.809 -2.003 -4.107 650 HA VAL 82 HA VAL 82 -3.232 -3.395 -3.729 651 HB VAL 82 HB VAL 82 -5.696 -3.939 -2.024 652 1HG1 VAL 82 1HG1 VAL 82 -4.241 -5.867 -2.587 653 2HG1 VAL 82 2HG1 VAL 82 -2.835 -4.967 -1.968 654 3HG1 VAL 82 3HG1 VAL 82 -4.155 -5.447 -0.876 655 1HG2 VAL 82 1HG2 VAL 82 -4.717 -1.806 -1.256 656 2HG2 VAL 82 2HG2 VAL 82 -4.352 -3.094 -0.115 657 3HG2 VAL 82 3HG2 VAL 82 -3.097 -2.538 -1.238 658 H ASN 83 H ASN 83 -3.122 -4.579 -5.536 659 HA ASN 83 HA ASN 83 -5.436 -6.340 -6.163 660 1HB ASN 83 1HB ASN 83 -5.445 -4.424 -7.775 661 2HB ASN 83 2HB ASN 83 -3.830 -4.880 -8.270 662 1HD2 ASN 83 2HD2 ASN 83 -7.104 -6.345 -7.827 663 2HD2 ASN 83 1HD2 ASN 83 -6.965 -7.445 -9.183 664 H HIS 84 H HIS 84 -4.277 -8.027 -5.079 665 HA HIS 84 HA HIS 84 -1.642 -8.983 -5.985 666 1HB HIS 84 1HB HIS 84 -2.513 -9.450 -3.728 667 2HB HIS 84 2HB HIS 84 -3.901 -10.269 -4.438 668 HD2 HIS 84 HD2 HIS 84 0.061 -10.849 -4.534 669 HE1 HIS 84 HE1 HIS 84 -2.043 -14.529 -4.704 670 HE2 HIS 84 HE2 HIS 84 0.308 -13.434 -4.628 671 H VAL 85 H VAL 85 -1.536 -10.972 -7.403 672 HA VAL 85 HA VAL 85 -3.173 -10.941 -9.620 673 HB VAL 85 HB VAL 85 -0.977 -12.002 -9.496 674 1HG1 VAL 85 1HG1 VAL 85 -2.364 -14.408 -8.239 675 2HG1 VAL 85 2HG1 VAL 85 -0.690 -14.320 -8.801 676 3HG1 VAL 85 3HG1 VAL 85 -1.202 -13.333 -7.426 677 1HG2 VAL 85 1HG2 VAL 85 -3.111 -13.845 -10.631 678 2HG2 VAL 85 2HG2 VAL 85 -2.470 -12.385 -11.416 679 3HG2 VAL 85 3HG2 VAL 85 -1.407 -13.766 -11.109 680 H THR 86 H THR 86 -3.772 -12.757 -6.604 681 HA THR 86 HA THR 86 -5.953 -14.235 -7.819 682 HB THR 86 HB THR 86 -4.365 -14.950 -5.892 683 HG1 THR 86 HG1 THR 86 -5.972 -16.174 -6.871 684 1HG2 THR 86 1HG2 THR 86 -6.749 -14.015 -4.260 685 2HG2 THR 86 2HG2 THR 86 -5.246 -14.772 -3.698 686 3HG2 THR 86 3HG2 THR 86 -5.224 -13.106 -4.311 687 H LEU 87 H LEU 87 -5.684 -11.086 -6.268 688 HA LEU 87 HA LEU 87 -8.509 -10.828 -5.630 689 1HB LEU 87 1HB LEU 87 -6.108 -9.038 -5.723 690 2HB LEU 87 2HB LEU 87 -7.653 -8.290 -6.063 691 HG LEU 87 HG LEU 87 -8.598 -9.108 -3.963 692 1HD1 LEU 87 1HD1 LEU 87 -7.123 -11.128 -3.644 693 2HD1 LEU 87 2HD1 LEU 87 -5.775 -10.030 -3.275 694 3HD1 LEU 87 3HD1 LEU 87 -7.207 -10.069 -2.230 695 1HD2 LEU 87 1HD2 LEU 87 -7.575 -6.876 -4.099 696 2HD2 LEU 87 2HD2 LEU 87 -7.289 -7.583 -2.498 697 3HD2 LEU 87 3HD2 LEU 87 -5.983 -7.553 -3.700 698 H SER 88 H SER 88 -10.028 -10.955 -7.151 699 HA SER 88 HA SER 88 -9.537 -10.396 -9.960 700 1HB SER 88 1HB SER 88 -12.136 -10.954 -8.475 701 2HB SER 88 2HB SER 88 -11.884 -11.016 -10.230 702 HG SER 88 HG SER 88 -10.566 -12.638 -8.306 703 H GLN 89 H GLN 89 -9.653 -8.168 -7.564 704 HA GLN 89 HA GLN 89 -10.684 -6.109 -9.316 705 1HB GLN 89 1HB GLN 89 -12.173 -5.195 -7.563 706 2HB GLN 89 2HB GLN 89 -12.746 -6.737 -8.213 707 1HG GLN 89 1HG GLN 89 -11.896 -7.916 -6.222 708 2HG GLN 89 2HG GLN 89 -11.204 -6.411 -5.595 709 1HE2 GLN 89 2HE2 GLN 89 -14.386 -7.689 -6.748 710 2HE2 GLN 89 1HE2 GLN 89 -15.320 -6.888 -5.501 711 HA PRO 90 HA PRO 90 -7.411 -4.167 -6.890 712 1HB PRO 90 1HB PRO 90 -7.601 -1.579 -7.706 713 2HB PRO 90 2HB PRO 90 -7.124 -2.888 -8.832 714 1HG PRO 90 1HG PRO 90 -9.867 -1.651 -8.535 715 2HG PRO 90 2HG PRO 90 -8.938 -1.946 -10.029 716 1HD PRO 90 1HD PRO 90 -10.847 -3.692 -9.068 717 2HD PRO 90 2HD PRO 90 -9.411 -4.241 -9.985 718 H LYS 91 H LYS 91 -8.082 -4.434 -4.764 719 HA LYS 91 HA LYS 91 -10.458 -3.059 -3.743 720 1HB LYS 91 1HB LYS 91 -9.692 -5.430 -3.151 721 2HB LYS 91 2HB LYS 91 -8.454 -4.687 -2.139 722 1HG LYS 91 1HG LYS 91 -11.490 -4.421 -1.907 723 2HG LYS 91 2HG LYS 91 -10.402 -5.290 -0.815 724 1HD LYS 91 1HD LYS 91 -9.299 -3.077 -0.261 725 2HD LYS 91 2HD LYS 91 -10.571 -2.284 -1.230 726 1HE LYS 91 1HE LYS 91 -12.309 -3.195 0.225 727 2HE LYS 91 2HE LYS 91 -11.073 -3.956 1.249 728 1HZ LYS 91 1HZ LYS 91 -10.234 -1.831 1.783 729 2HZ LYS 91 2HZ LYS 91 -11.205 -1.071 0.696 730 3HZ LYS 91 3HZ LYS 91 -11.859 -1.787 2.035 731 H ILE 92 H ILE 92 -10.072 -0.848 -3.697 732 HA ILE 92 HA ILE 92 -7.524 0.232 -2.927 733 HB ILE 92 HB ILE 92 -10.135 1.757 -3.019 734 1HG1 ILE 92 1HG1 ILE 92 -10.131 0.625 -5.137 735 2HG1 ILE 92 2HG1 ILE 92 -9.660 2.301 -5.373 736 1HG2 ILE 92 1HG2 ILE 92 -7.205 2.492 -3.440 737 2HG2 ILE 92 2HG2 ILE 92 -8.573 3.593 -3.706 738 3HG2 ILE 92 3HG2 ILE 92 -8.253 2.951 -2.085 739 1HD1 ILE 92 1HD1 ILE 92 -7.278 1.623 -5.568 740 2HD1 ILE 92 2HD1 ILE 92 -7.756 -0.080 -5.340 741 3HD1 ILE 92 3HD1 ILE 92 -8.311 0.819 -6.758 742 H VAL 93 H VAL 93 -6.836 0.841 -0.935 743 HA VAL 93 HA VAL 93 -8.713 0.767 1.391 744 HB VAL 93 HB VAL 93 -5.745 0.089 1.281 745 1HG1 VAL 93 1HG1 VAL 93 -7.719 0.163 3.612 746 2HG1 VAL 93 2HG1 VAL 93 -6.060 -0.463 3.687 747 3HG1 VAL 93 3HG1 VAL 93 -6.337 1.257 3.394 748 1HG2 VAL 93 1HG2 VAL 93 -7.140 -1.746 0.417 749 2HG2 VAL 93 2HG2 VAL 93 -6.577 -2.141 2.046 750 3HG2 VAL 93 3HG2 VAL 93 -8.237 -1.590 1.807 751 H LYS 94 H LYS 94 -9.307 2.846 1.542 752 HA LYS 94 HA LYS 94 -7.607 5.095 0.980 753 1HB LYS 94 1HB LYS 94 -10.233 4.882 2.498 754 2HB LYS 94 2HB LYS 94 -9.431 6.391 2.016 755 1HG LYS 94 1HG LYS 94 -9.641 5.801 -0.359 756 2HG LYS 94 2HG LYS 94 -10.290 4.214 0.048 757 1HD LYS 94 1HD LYS 94 -12.110 5.630 -0.637 758 2HD LYS 94 2HD LYS 94 -12.282 5.209 1.067 759 1HE LYS 94 1HE LYS 94 -12.854 7.553 0.720 760 2HE LYS 94 2HE LYS 94 -11.391 7.459 1.703 761 1HZ LYS 94 1HZ LYS 94 -11.510 7.986 -1.189 762 2HZ LYS 94 2HZ LYS 94 -11.198 9.089 0.004 763 3HZ LYS 94 3HZ LYS 94 -10.123 7.881 -0.297 764 H TRP 95 H TRP 95 -6.213 6.158 2.306 765 HA TRP 95 HA TRP 95 -5.413 4.803 4.752 766 1HB TRP 95 1HB TRP 95 -3.652 5.522 3.348 767 2HB TRP 95 2HB TRP 95 -4.400 7.075 3.083 768 HD1 TRP 95 HD1 TRP 95 -2.908 5.349 6.230 769 HE1 TRP 95 HE1 TRP 95 -1.746 7.210 7.625 770 HE3 TRP 95 HE3 TRP 95 -3.711 9.317 3.161 771 HZ2 TRP 95 HZ2 TRP 95 -1.750 10.127 7.651 772 HZ3 TRP 95 HZ3 TRP 95 -2.914 11.581 3.795 773 HH2 TRP 95 HH2 TRP 95 -2.232 12.022 6.132 774 H ASP 96 H ASP 96 -6.354 5.188 6.667 775 HA ASP 96 HA ASP 96 -7.788 7.648 7.306 776 1HB ASP 96 1HB ASP 96 -8.082 6.610 9.486 777 2HB ASP 96 2HB ASP 96 -8.490 5.463 8.213 778 H ARG 97 H ARG 97 -7.109 9.098 8.984 779 HA ARG 97 HA ARG 97 -4.189 9.608 8.912 780 1HB ARG 97 1HB ARG 97 -6.562 11.251 9.856 781 2HB ARG 97 2HB ARG 97 -4.881 11.735 10.088 782 1HG ARG 97 1HG ARG 97 -5.863 12.823 8.147 783 2HG ARG 97 2HG ARG 97 -4.454 11.843 7.720 784 1HD ARG 97 1HD ARG 97 -5.783 10.166 6.687 785 2HD ARG 97 2HD ARG 97 -7.276 10.772 7.462 786 HE ARG 97 HE ARG 97 -6.209 12.799 5.786 787 1HH1 ARG 97 1HH2 ARG 97 -7.610 9.550 5.496 788 2HH1 ARG 97 2HH2 ARG 97 -8.721 9.999 4.224 789 1HH2 ARG 97 1HH1 ARG 97 -7.529 13.311 3.927 790 2HH2 ARG 97 2HH1 ARG 97 -8.596 12.088 3.278 791 H ASP 98 H ASP 98 -4.071 7.474 10.145 792 HA ASP 98 HA ASP 98 -3.737 6.234 11.985 793 1HB ASP 98 1HB ASP 98 -1.834 7.776 11.994 794 2HB ASP 98 2HB ASP 98 -2.747 8.925 12.975 795 H MET 99 H MET 99 -6.184 6.161 12.014 796 HA MET 99 HA MET 99 -7.432 7.504 14.364 797 1HB MET 99 1HB MET 99 -8.643 6.069 11.970 798 2HB MET 99 2HB MET 99 -9.546 6.869 13.260 799 1HG MET 99 1HG MET 99 -7.640 8.202 11.292 800 2HG MET 99 2HG MET 99 -9.396 8.266 11.240 801 1HE MET 99 1HE MET 99 -10.907 9.631 12.861 802 2HE MET 99 2HE MET 99 -10.231 8.847 14.311 803 3HE MET 99 3HE MET 99 -10.300 10.617 14.209 Start of MODEL 9 1 1H MET 0 1H MET 0 -7.554 -26.987 -2.177 2 2H MET 0 2H MET 0 -7.540 -25.761 -1.075 3 3H MET 0 3H MET 0 -8.886 -26.031 -1.986 4 HA MET 0 HA MET 0 -6.286 -25.207 -3.036 5 1HB MET 0 1HB MET 0 -8.996 -25.480 -4.401 6 2HB MET 0 2HB MET 0 -7.549 -24.758 -5.123 7 1HG MET 0 1HG MET 0 -6.339 -26.908 -4.831 8 2HG MET 0 2HG MET 0 -7.815 -27.642 -4.184 9 1HE MET 0 1HE MET 0 -6.115 -28.881 -6.591 10 2HE MET 0 2HE MET 0 -7.569 -29.606 -5.863 11 3HE MET 0 3HE MET 0 -7.460 -29.409 -7.628 12 H ILE 1 H ILE 1 -5.829 -23.305 -2.054 13 HA ILE 1 HA ILE 1 -7.548 -21.022 -2.402 14 HB ILE 1 HB ILE 1 -8.699 -21.863 -0.502 15 1HG1 ILE 1 1HG1 ILE 1 -8.328 -20.157 1.211 16 2HG1 ILE 1 2HG1 ILE 1 -6.794 -19.692 0.478 17 1HG2 ILE 1 1HG2 ILE 1 -7.029 -23.457 0.344 18 2HG2 ILE 1 2HG2 ILE 1 -6.041 -22.105 0.948 19 3HG2 ILE 1 3HG2 ILE 1 -7.654 -22.404 1.618 20 1HD1 ILE 1 1HD1 ILE 1 -9.517 -19.541 -0.904 21 2HD1 ILE 1 2HD1 ILE 1 -8.714 -18.184 -0.090 22 3HD1 ILE 1 3HD1 ILE 1 -7.985 -18.895 -1.536 23 H GLN 2 H GLN 2 -6.197 -19.287 -2.770 24 HA GLN 2 HA GLN 2 -3.361 -19.523 -2.236 25 1HB GLN 2 1HB GLN 2 -4.521 -18.612 -4.349 26 2HB GLN 2 2HB GLN 2 -5.000 -17.224 -3.374 27 1HG GLN 2 1HG GLN 2 -2.993 -16.300 -3.544 28 2HG GLN 2 2HG GLN 2 -2.160 -17.766 -3.008 29 1HE2 GLN 2 2HE2 GLN 2 -1.941 -19.573 -4.629 30 2HE2 GLN 2 1HE2 GLN 2 -1.537 -19.109 -6.269 31 H ARG 3 H ARG 3 -2.196 -17.907 -0.924 32 HA ARG 3 HA ARG 3 -3.594 -17.163 1.475 33 1HB ARG 3 1HB ARG 3 -0.804 -16.897 0.421 34 2HB ARG 3 2HB ARG 3 -1.288 -15.805 1.711 35 1HG ARG 3 1HG ARG 3 -1.787 -18.773 2.020 36 2HG ARG 3 2HG ARG 3 -0.210 -18.048 2.390 37 1HD ARG 3 1HD ARG 3 -1.268 -16.427 3.919 38 2HD ARG 3 2HD ARG 3 -2.860 -17.148 3.605 39 HE ARG 3 HE ARG 3 -1.044 -19.162 4.494 40 1HH1 ARG 3 1HH2 ARG 3 -2.833 -16.341 5.696 41 2HH1 ARG 3 2HH2 ARG 3 -2.885 -16.909 7.344 42 1HH2 ARG 3 1HH1 ARG 3 -1.097 -19.889 6.678 43 2HH2 ARG 3 2HH1 ARG 3 -1.889 -18.935 7.904 44 H THR 4 H THR 4 -4.504 -15.339 2.056 45 HA THR 4 HA THR 4 -5.157 -13.354 0.098 46 HB THR 4 HB THR 4 -5.777 -13.571 3.073 47 HG1 THR 4 HG1 THR 4 -7.137 -14.550 0.791 48 1HG2 THR 4 1HG2 THR 4 -7.282 -12.070 0.886 49 2HG2 THR 4 2HG2 THR 4 -7.785 -12.259 2.576 50 3HG2 THR 4 3HG2 THR 4 -6.332 -11.322 2.195 51 HA PRO 5 HA PRO 5 -1.898 -10.477 1.474 52 1HB PRO 5 1HB PRO 5 -2.791 -8.150 0.317 53 2HB PRO 5 2HB PRO 5 -2.062 -9.482 -0.621 54 1HG PRO 5 1HG PRO 5 -5.002 -8.919 -0.191 55 2HG PRO 5 2HG PRO 5 -4.157 -9.259 -1.729 56 1HD PRO 5 1HD PRO 5 -5.481 -11.191 -0.360 57 2HD PRO 5 2HD PRO 5 -3.941 -11.563 -1.188 58 H LYS 6 H LYS 6 -1.827 -9.977 3.595 59 HA LYS 6 HA LYS 6 -4.049 -8.617 4.957 60 1HB LYS 6 1HB LYS 6 -2.610 -10.434 6.026 61 2HB LYS 6 2HB LYS 6 -1.280 -9.259 6.029 62 1HG LYS 6 1HG LYS 6 -2.982 -7.662 7.190 63 2HG LYS 6 2HG LYS 6 -3.968 -9.104 7.447 64 1HD LYS 6 1HD LYS 6 -1.100 -8.677 8.421 65 2HD LYS 6 2HD LYS 6 -2.564 -8.501 9.402 66 1HE LYS 6 1HE LYS 6 -3.101 -10.913 9.008 67 2HE LYS 6 2HE LYS 6 -1.578 -11.085 8.111 68 1HZ LYS 6 1HZ LYS 6 -0.410 -10.450 10.090 69 2HZ LYS 6 2HZ LYS 6 -1.821 -10.286 10.925 70 3HZ LYS 6 3HZ LYS 6 -1.356 -11.768 10.377 71 H ILE 7 H ILE 7 -4.213 -6.474 4.591 72 HA ILE 7 HA ILE 7 -1.898 -4.827 3.774 73 HB ILE 7 HB ILE 7 -4.853 -4.223 3.949 74 1HG1 ILE 7 1HG1 ILE 7 -3.295 -4.764 1.398 75 2HG1 ILE 7 2HG1 ILE 7 -4.128 -6.064 2.246 76 1HG2 ILE 7 1HG2 ILE 7 -3.395 -2.225 4.035 77 2HG2 ILE 7 2HG2 ILE 7 -2.570 -2.742 2.556 78 3HG2 ILE 7 3HG2 ILE 7 -4.283 -2.276 2.512 79 1HD1 ILE 7 1HD1 ILE 7 -6.272 -4.830 2.116 80 2HD1 ILE 7 2HD1 ILE 7 -5.477 -3.609 1.097 81 3HD1 ILE 7 3HD1 ILE 7 -5.598 -5.285 0.543 82 H GLN 8 H GLN 8 -0.851 -3.459 5.359 83 HA GLN 8 HA GLN 8 -2.481 -2.570 7.672 84 1HB GLN 8 1HB GLN 8 -0.293 -2.794 8.895 85 2HB GLN 8 2HB GLN 8 -1.259 -4.251 8.683 86 1HG GLN 8 1HG GLN 8 1.069 -3.537 6.870 87 2HG GLN 8 2HG GLN 8 1.286 -4.410 8.391 88 1HE2 GLN 8 2HE2 GLN 8 1.993 -5.371 5.762 89 2HE2 GLN 8 1HE2 GLN 8 1.080 -6.849 5.542 90 H VAL 9 H VAL 9 -2.857 -0.672 6.494 91 HA VAL 9 HA VAL 9 -0.693 0.911 5.445 92 HB VAL 9 HB VAL 9 -3.558 1.710 6.072 93 1HG1 VAL 9 1HG1 VAL 9 -1.437 3.018 4.313 94 2HG1 VAL 9 2HG1 VAL 9 -3.131 3.536 4.462 95 3HG1 VAL 9 3HG1 VAL 9 -2.038 3.663 5.846 96 1HG2 VAL 9 1HG2 VAL 9 -3.600 -0.072 4.453 97 2HG2 VAL 9 2HG2 VAL 9 -3.848 1.438 3.576 98 3HG2 VAL 9 3HG2 VAL 9 -2.262 0.643 3.526 99 H TYR 10 H TYR 10 0.694 2.098 6.574 100 HA TYR 10 HA TYR 10 -0.001 3.006 9.330 101 1HB TYR 10 1HB TYR 10 2.735 2.878 8.093 102 2HB TYR 10 2HB TYR 10 2.308 2.999 9.792 103 HD1 TYR 10 HD1 TYR 10 0.488 0.851 10.364 104 HD2 TYR 10 HD2 TYR 10 3.813 0.906 7.623 105 HE1 TYR 10 HE1 TYR 10 0.902 -1.565 10.801 106 HE2 TYR 10 HE2 TYR 10 4.250 -1.487 8.087 107 HH TYR 10 HH TYR 10 3.762 -3.266 9.498 108 H SER 11 H SER 11 0.638 5.038 9.964 109 HA SER 11 HA SER 11 1.301 7.100 7.897 110 1HB SER 11 1HB SER 11 0.586 8.735 9.663 111 2HB SER 11 2HB SER 11 -0.707 7.785 8.927 112 HG SER 11 HG SER 11 -0.861 7.910 11.210 113 H ARG 12 H ARG 12 3.512 7.463 7.940 114 HA ARG 12 HA ARG 12 5.148 6.464 10.104 115 1HB ARG 12 1HB ARG 12 5.653 6.746 7.582 116 2HB ARG 12 2HB ARG 12 6.136 8.388 7.984 117 1HG ARG 12 1HG ARG 12 7.288 5.858 9.267 118 2HG ARG 12 2HG ARG 12 7.926 6.628 7.817 119 1HD ARG 12 1HD ARG 12 9.299 7.286 9.627 120 2HD ARG 12 2HD ARG 12 8.395 8.706 9.065 121 HE ARG 12 HE ARG 12 6.983 7.452 11.210 122 1HH1 ARG 12 1HH2 ARG 12 9.997 9.252 10.705 123 2HH1 ARG 12 2HH2 ARG 12 9.897 10.085 12.236 124 1HH2 ARG 12 1HH1 ARG 12 6.824 8.589 13.160 125 2HH2 ARG 12 2HH1 ARG 12 8.098 9.672 13.668 126 H HIS 13 H HIS 13 4.798 9.768 8.756 127 HA HIS 13 HA HIS 13 4.902 10.979 11.457 128 1HB HIS 13 1HB HIS 13 4.766 12.231 8.701 129 2HB HIS 13 2HB HIS 13 4.831 13.092 10.248 130 HD2 HIS 13 HD2 HIS 13 7.167 11.649 7.646 131 HE1 HIS 13 HE1 HIS 13 9.522 12.449 11.071 132 HE2 HIS 13 HE2 HIS 13 9.615 11.823 8.594 133 HA PRO 14 HA PRO 14 0.448 10.693 11.247 134 1HB PRO 14 1HB PRO 14 -0.299 12.073 13.436 135 2HB PRO 14 2HB PRO 14 0.822 10.695 13.567 136 1HG PRO 14 1HG PRO 14 1.546 13.638 13.411 137 2HG PRO 14 2HG PRO 14 2.076 12.451 14.638 138 1HD PRO 14 1HD PRO 14 3.560 13.079 12.394 139 2HD PRO 14 2HD PRO 14 3.595 11.459 13.132 140 H ALA 15 H ALA 15 1.267 12.274 9.216 141 HA ALA 15 HA ALA 15 0.785 13.868 7.775 142 1HB ALA 15 1HB ALA 15 -1.510 13.106 8.073 143 2HB ALA 15 2HB ALA 15 -1.774 14.288 9.357 144 3HB ALA 15 3HB ALA 15 -1.455 14.842 7.706 145 H GLU 16 H GLU 16 0.848 16.121 7.300 146 HA GLU 16 HA GLU 16 0.567 18.084 9.378 147 1HB GLU 16 1HB GLU 16 3.054 17.149 9.460 148 2HB GLU 16 2HB GLU 16 3.281 18.162 8.030 149 1HG GLU 16 1HG GLU 16 2.337 18.970 10.822 150 2HG GLU 16 2HG GLU 16 3.928 19.300 10.129 151 H ASN 17 H ASN 17 -0.248 19.911 8.400 152 HA ASN 17 HA ASN 17 -1.384 19.450 5.912 153 1HB ASN 17 1HB ASN 17 -2.595 21.367 6.233 154 2HB ASN 17 2HB ASN 17 -2.265 20.801 7.863 155 1HD2 ASN 17 2HD2 ASN 17 0.136 21.886 8.635 156 2HD2 ASN 17 1HD2 ASN 17 0.116 23.619 8.425 157 H GLY 18 H GLY 18 -0.544 19.538 3.910 158 1HA GLY 18 1HA GLY 18 0.685 20.132 2.135 159 2HA GLY 18 2HA GLY 18 0.598 21.790 2.728 160 H LYS 19 H LYS 19 2.190 19.231 4.633 161 HA LYS 19 HA LYS 19 4.881 20.138 3.752 162 1HB LYS 19 1HB LYS 19 4.245 21.376 5.758 163 2HB LYS 19 2HB LYS 19 3.975 19.825 6.580 164 1HG LYS 19 1HG LYS 19 6.678 20.645 5.465 165 2HG LYS 19 2HG LYS 19 6.123 21.086 7.088 166 1HD LYS 19 1HD LYS 19 5.730 18.583 7.518 167 2HD LYS 19 2HD LYS 19 6.699 18.288 6.065 168 1HE LYS 19 1HE LYS 19 7.625 19.759 8.555 169 2HE LYS 19 2HE LYS 19 8.050 18.112 8.068 170 1HZ LYS 19 1HZ LYS 19 9.060 19.021 6.096 171 2HZ LYS 19 2HZ LYS 19 8.712 20.555 6.586 172 3HZ LYS 19 3HZ LYS 19 9.757 19.628 7.460 173 H SER 20 H SER 20 5.801 18.535 3.142 174 HA SER 20 HA SER 20 4.998 16.089 2.707 175 1HB SER 20 1HB SER 20 7.356 15.316 2.360 176 2HB SER 20 2HB SER 20 6.837 16.801 1.562 177 HG SER 20 HG SER 20 8.241 16.677 4.037 178 H ASN 21 H ASN 21 4.638 14.285 3.738 179 HA ASN 21 HA ASN 21 5.774 13.609 6.433 180 1HB ASN 21 1HB ASN 21 3.147 13.035 5.079 181 2HB ASN 21 2HB ASN 21 3.551 12.471 6.719 182 1HD2 ASN 21 2HD2 ASN 21 4.653 14.586 7.979 183 2HD2 ASN 21 1HD2 ASN 21 3.539 15.937 7.986 184 H PHE 22 H PHE 22 4.458 10.864 6.116 185 HA PHE 22 HA PHE 22 5.511 9.741 3.724 186 1HB PHE 22 1HB PHE 22 7.245 9.648 6.031 187 2HB PHE 22 2HB PHE 22 6.694 8.019 5.676 188 HD1 PHE 22 HD1 PHE 22 6.663 7.395 3.058 189 HD2 PHE 22 HD2 PHE 22 9.246 10.290 4.943 190 HE1 PHE 22 HE1 PHE 22 8.269 7.205 1.170 191 HE2 PHE 22 HE2 PHE 22 10.914 9.966 3.133 192 HZ PHE 22 HZ PHE 22 10.419 8.438 1.242 193 H LEU 23 H LEU 23 4.153 8.316 3.053 194 HA LEU 23 HA LEU 23 2.184 7.052 4.869 195 1HB LEU 23 1HB LEU 23 1.354 8.585 3.105 196 2HB LEU 23 2HB LEU 23 2.189 7.636 1.880 197 HG LEU 23 HG LEU 23 0.627 5.715 2.505 198 1HD1 LEU 23 1HD1 LEU 23 0.073 6.431 4.824 199 2HD1 LEU 23 2HD1 LEU 23 -0.594 7.951 4.202 200 3HD1 LEU 23 3HD1 LEU 23 -1.381 6.400 3.826 201 1HD2 LEU 23 1HD2 LEU 23 -0.608 8.393 1.712 202 2HD2 LEU 23 2HD2 LEU 23 0.181 7.253 0.606 203 3HD2 LEU 23 3HD2 LEU 23 -1.335 6.798 1.409 204 H ASN 24 H ASN 24 2.103 4.812 4.953 205 HA ASN 24 HA ASN 24 3.972 3.276 3.193 206 1HB ASN 24 1HB ASN 24 3.810 3.339 6.213 207 2HB ASN 24 2HB ASN 24 4.558 2.030 5.295 208 1HD2 ASN 24 2HD2 ASN 24 4.695 5.616 5.731 209 2HD2 ASN 24 1HD2 ASN 24 6.412 5.747 5.406 210 H CYS 25 H CYS 25 2.329 2.335 2.031 211 HA CYS 25 HA CYS 25 0.200 0.840 3.441 212 1HB CYS 25 1HB CYS 25 0.708 1.138 0.480 213 2HB CYS 25 2HB CYS 25 -0.665 0.364 1.252 214 H TYR 26 H TYR 26 1.711 -0.581 4.560 215 HA TYR 26 HA TYR 26 3.429 -2.334 3.008 216 1HB TYR 26 1HB TYR 26 4.012 -1.606 5.287 217 2HB TYR 26 2HB TYR 26 2.547 -2.289 5.919 218 HD1 TYR 26 HD1 TYR 26 3.483 -3.798 7.505 219 HD2 TYR 26 HD2 TYR 26 4.942 -3.891 3.464 220 HE1 TYR 26 HE1 TYR 26 4.529 -5.999 7.939 221 HE2 TYR 26 HE2 TYR 26 5.993 -6.063 3.887 222 HH TYR 26 HH TYR 26 5.879 -7.673 7.095 223 H VAL 27 H VAL 27 2.904 -4.389 2.273 224 HA VAL 27 HA VAL 27 0.307 -5.574 3.123 225 HB VAL 27 HB VAL 27 1.409 -5.794 0.282 226 1HG1 VAL 27 1HG1 VAL 27 -1.366 -6.285 1.463 227 2HG1 VAL 27 2HG1 VAL 27 -0.844 -6.612 -0.204 228 3HG1 VAL 27 3HG1 VAL 27 -0.186 -7.556 1.143 229 1HG2 VAL 27 1HG2 VAL 27 -0.762 -3.923 1.223 230 2HG2 VAL 27 2HG2 VAL 27 0.848 -3.432 0.640 231 3HG2 VAL 27 3HG2 VAL 27 -0.266 -4.254 -0.463 232 H SER 28 H SER 28 0.530 -7.762 3.659 233 HA SER 28 HA SER 28 2.757 -9.241 2.601 234 1HB SER 28 1HB SER 28 3.782 -9.801 4.803 235 2HB SER 28 2HB SER 28 3.882 -8.073 4.533 236 HG SER 28 HG SER 28 3.113 -8.607 6.626 237 H GLY 29 H GLY 29 2.919 -11.490 3.641 238 1HA GLY 29 1HA GLY 29 1.896 -13.346 4.617 239 2HA GLY 29 2HA GLY 29 0.316 -12.565 4.557 240 H PHE 30 H PHE 30 0.718 -11.757 1.699 241 HA PHE 30 HA PHE 30 -0.673 -13.966 0.555 242 1HB PHE 30 1HB PHE 30 -0.748 -12.584 -1.448 243 2HB PHE 30 2HB PHE 30 -1.179 -11.708 -0.033 244 HD1 PHE 30 HD1 PHE 30 0.178 -9.730 0.736 245 HD2 PHE 30 HD2 PHE 30 1.400 -12.158 -2.624 246 HE1 PHE 30 HE1 PHE 30 1.967 -8.129 0.195 247 HE2 PHE 30 HE2 PHE 30 3.191 -10.551 -3.134 248 HZ PHE 30 HZ PHE 30 3.459 -8.535 -1.733 249 H HIS 31 H HIS 31 -0.090 -14.871 -1.644 250 HA HIS 31 HA HIS 31 2.640 -14.825 -2.595 251 1HB HIS 31 1HB HIS 31 3.315 -16.978 -2.242 252 2HB HIS 31 2HB HIS 31 2.510 -16.678 -0.709 253 HD2 HIS 31 HD2 HIS 31 1.886 -18.508 -4.112 254 HE1 HIS 31 HE1 HIS 31 -0.707 -20.184 -1.215 255 HE2 HIS 31 HE2 HIS 31 0.114 -20.395 -3.631 256 HA PRO 32 HA PRO 32 3.567 -15.963 -4.422 257 1HB PRO 32 1HB PRO 32 3.953 -16.251 -7.058 258 2HB PRO 32 2HB PRO 32 3.047 -17.479 -6.168 259 1HG PRO 32 1HG PRO 32 1.825 -15.135 -7.672 260 2HG PRO 32 2HG PRO 32 1.518 -16.877 -7.945 261 1HD PRO 32 1HD PRO 32 -0.036 -15.368 -6.255 262 2HD PRO 32 2HD PRO 32 0.336 -17.084 -5.926 263 H SER 33 H SER 33 4.471 -14.487 -6.958 264 HA SER 33 HA SER 33 4.916 -12.066 -5.465 265 1HB SER 33 1HB SER 33 6.849 -11.923 -6.955 266 2HB SER 33 2HB SER 33 6.658 -13.597 -6.397 267 HG SER 33 HG SER 33 5.828 -12.575 -8.895 268 H ASP 34 H ASP 34 2.373 -12.462 -7.399 269 HA ASP 34 HA ASP 34 2.921 -10.192 -9.256 270 1HB ASP 34 1HB ASP 34 2.477 -12.331 -10.291 271 2HB ASP 34 2HB ASP 34 0.967 -12.504 -9.390 272 H ILE 35 H ILE 35 2.535 -8.677 -7.485 273 HA ILE 35 HA ILE 35 -0.361 -8.079 -7.237 274 HB ILE 35 HB ILE 35 0.501 -8.956 -5.218 275 1HG1 ILE 35 1HG1 ILE 35 0.077 -5.978 -4.771 276 2HG1 ILE 35 2HG1 ILE 35 -1.222 -7.108 -5.117 277 1HG2 ILE 35 1HG2 ILE 35 2.396 -6.617 -5.066 278 2HG2 ILE 35 2HG2 ILE 35 2.185 -7.915 -3.871 279 3HG2 ILE 35 3HG2 ILE 35 2.864 -8.306 -5.447 280 1HD1 ILE 35 1HD1 ILE 35 -0.338 -8.489 -3.106 281 2HD1 ILE 35 2HD1 ILE 35 0.575 -7.037 -2.683 282 3HD1 ILE 35 3HD1 ILE 35 -1.188 -6.966 -2.766 283 H GLU 36 H GLU 36 -1.000 -5.998 -7.191 284 HA GLU 36 HA GLU 36 0.834 -3.963 -8.364 285 1HB GLU 36 1HB GLU 36 -2.151 -4.010 -8.767 286 2HB GLU 36 2HB GLU 36 -0.878 -3.204 -9.685 287 1HG GLU 36 1HG GLU 36 -0.050 -5.484 -10.382 288 2HG GLU 36 2HG GLU 36 -1.435 -6.196 -9.574 289 H VAL 37 H VAL 37 1.084 -2.144 -7.140 290 HA VAL 37 HA VAL 37 -1.067 -1.259 -5.320 291 HB VAL 37 HB VAL 37 1.824 -1.681 -4.473 292 1HG1 VAL 37 1HG1 VAL 37 -0.538 -0.781 -2.767 293 2HG1 VAL 37 2HG1 VAL 37 1.104 -1.108 -2.208 294 3HG1 VAL 37 3HG1 VAL 37 0.806 0.262 -3.278 295 1HG2 VAL 37 1HG2 VAL 37 0.805 -3.828 -4.503 296 2HG2 VAL 37 2HG2 VAL 37 0.640 -3.291 -2.821 297 3HG2 VAL 37 3HG2 VAL 37 -0.747 -3.204 -3.890 298 H ASP 38 H ASP 38 -1.395 0.186 -7.096 299 HA ASP 38 HA ASP 38 0.520 2.367 -7.489 300 1HB ASP 38 1HB ASP 38 -2.433 2.227 -8.265 301 2HB ASP 38 2HB ASP 38 -1.240 3.408 -8.777 302 H LEU 39 H LEU 39 0.768 3.919 -5.957 303 HA LEU 39 HA LEU 39 -1.318 4.416 -3.933 304 1HB LEU 39 1HB LEU 39 1.427 5.669 -4.327 305 2HB LEU 39 2HB LEU 39 0.262 6.059 -3.053 306 HG LEU 39 HG LEU 39 0.328 3.389 -2.686 307 1HD1 LEU 39 1HD1 LEU 39 3.102 4.036 -3.742 308 2HD1 LEU 39 2HD1 LEU 39 2.644 2.546 -2.899 309 3HD1 LEU 39 3HD1 LEU 39 1.962 2.904 -4.487 310 1HD2 LEU 39 1HD2 LEU 39 0.896 5.194 -1.005 311 2HD2 LEU 39 2HD2 LEU 39 1.874 3.726 -0.872 312 3HD2 LEU 39 3HD2 LEU 39 2.556 5.169 -1.647 313 H LEU 40 H LEU 40 -2.645 6.177 -3.936 314 HA LEU 40 HA LEU 40 -2.937 7.675 -6.488 315 1HB LEU 40 1HB LEU 40 -3.655 5.148 -6.441 316 2HB LEU 40 2HB LEU 40 -4.953 5.696 -5.405 317 HG LEU 40 HG LEU 40 -5.737 5.411 -7.621 318 1HD1 LEU 40 1HD1 LEU 40 -6.611 7.401 -6.379 319 2HD1 LEU 40 2HD1 LEU 40 -5.481 8.426 -7.301 320 3HD1 LEU 40 3HD1 LEU 40 -6.747 7.516 -8.144 321 1HD2 LEU 40 1HD2 LEU 40 -3.480 5.666 -8.730 322 2HD2 LEU 40 2HD2 LEU 40 -4.842 6.414 -9.591 323 3HD2 LEU 40 3HD2 LEU 40 -3.737 7.424 -8.653 324 H LYS 41 H LYS 41 -3.676 9.794 -5.836 325 HA LYS 41 HA LYS 41 -4.977 10.003 -3.204 326 1HB LYS 41 1HB LYS 41 -4.374 12.173 -5.190 327 2HB LYS 41 2HB LYS 41 -4.804 12.356 -3.474 328 1HG LYS 41 1HG LYS 41 -2.730 12.224 -2.852 329 2HG LYS 41 2HG LYS 41 -2.541 10.643 -3.588 330 1HD LYS 41 1HD LYS 41 -0.924 12.074 -4.656 331 2HD LYS 41 2HD LYS 41 -2.196 11.791 -5.828 332 1HE LYS 41 1HE LYS 41 -1.479 14.133 -5.813 333 2HE LYS 41 2HE LYS 41 -3.184 13.994 -5.386 334 1HZ LYS 41 1HZ LYS 41 -1.002 14.359 -3.441 335 2HZ LYS 41 2HZ LYS 41 -2.018 15.539 -3.974 336 3HZ LYS 41 3HZ LYS 41 -2.614 14.297 -3.094 337 H ASN 42 H ASN 42 -6.312 12.398 -4.786 338 HA ASN 42 HA ASN 42 -9.021 11.438 -4.901 339 1HB ASN 42 1HB ASN 42 -9.244 13.723 -6.209 340 2HB ASN 42 2HB ASN 42 -8.822 13.737 -4.496 341 1HD2 ASN 42 2HD2 ASN 42 -7.220 13.836 -7.749 342 2HD2 ASN 42 1HD2 ASN 42 -5.859 14.785 -7.189 343 H GLY 43 H GLY 43 -6.495 11.945 -7.378 344 1HA GLY 43 1HA GLY 43 -7.472 9.918 -9.102 345 2HA GLY 43 2HA GLY 43 -8.119 11.481 -9.652 346 H GLU 44 H GLU 44 -5.003 10.678 -8.097 347 HA GLU 44 HA GLU 44 -3.484 11.161 -10.587 348 1HB GLU 44 1HB GLU 44 -3.628 13.343 -9.463 349 2HB GLU 44 2HB GLU 44 -3.067 12.631 -7.943 350 1HG GLU 44 1HG GLU 44 -0.897 12.038 -9.009 351 2HG GLU 44 2HG GLU 44 -1.465 12.731 -10.539 352 H ARG 45 H ARG 45 -2.107 9.476 -10.780 353 HA ARG 45 HA ARG 45 -1.566 7.779 -8.446 354 1HB ARG 45 1HB ARG 45 -0.657 6.196 -9.879 355 2HB ARG 45 2HB ARG 45 -2.153 6.754 -10.635 356 1HG ARG 45 1HG ARG 45 -0.865 8.140 -12.214 357 2HG ARG 45 2HG ARG 45 0.653 7.691 -11.410 358 1HD ARG 45 1HD ARG 45 0.193 5.295 -11.863 359 2HD ARG 45 2HD ARG 45 -1.200 5.761 -12.845 360 HE ARG 45 HE ARG 45 1.650 5.927 -13.504 361 1HH1 ARG 45 1HH2 ARG 45 -1.489 7.400 -14.236 362 2HH1 ARG 45 2HH2 ARG 45 -0.951 8.090 -15.748 363 1HH2 ARG 45 1HH1 ARG 45 2.354 6.855 -15.410 364 2HH2 ARG 45 2HH1 ARG 45 1.264 7.751 -16.451 365 H ILE 46 H ILE 46 0.354 7.455 -7.478 366 HA ILE 46 HA ILE 46 2.396 9.524 -7.743 367 HB ILE 46 HB ILE 46 1.554 7.451 -5.690 368 1HG1 ILE 46 1HG1 ILE 46 1.366 10.481 -5.484 369 2HG1 ILE 46 2HG1 ILE 46 0.044 9.534 -6.160 370 1HG2 ILE 46 1HG2 ILE 46 3.928 7.825 -5.512 371 2HG2 ILE 46 2HG2 ILE 46 3.693 9.590 -5.628 372 3HG2 ILE 46 3HG2 ILE 46 3.095 8.682 -4.208 373 1HD1 ILE 46 1HD1 ILE 46 1.085 9.282 -3.325 374 2HD1 ILE 46 2HD1 ILE 46 -0.461 9.929 -3.908 375 3HD1 ILE 46 3HD1 ILE 46 -0.133 8.218 -4.056 376 H GLU 47 H GLU 47 3.683 8.791 -9.464 377 HA GLU 47 HA GLU 47 4.549 5.997 -9.640 378 1HB GLU 47 1HB GLU 47 5.421 8.435 -11.238 379 2HB GLU 47 2HB GLU 47 5.818 6.737 -11.573 380 1HG GLU 47 1HG GLU 47 3.334 6.253 -11.711 381 2HG GLU 47 2HG GLU 47 3.041 7.999 -11.637 382 H LYS 48 H LYS 48 5.666 8.942 -8.096 383 HA LYS 48 HA LYS 48 8.364 7.952 -7.569 384 1HB LYS 48 1HB LYS 48 7.637 10.366 -7.805 385 2HB LYS 48 2HB LYS 48 6.870 10.245 -6.230 386 1HG LYS 48 1HG LYS 48 9.854 9.828 -6.838 387 2HG LYS 48 2HG LYS 48 9.097 11.312 -6.272 388 1HD LYS 48 1HD LYS 48 9.798 10.611 -4.252 389 2HD LYS 48 2HD LYS 48 8.247 9.809 -4.274 390 1HE LYS 48 1HE LYS 48 9.738 8.153 -3.536 391 2HE LYS 48 2HE LYS 48 9.589 7.743 -5.251 392 1HZ LYS 48 1HZ LYS 48 11.619 8.938 -5.640 393 2HZ LYS 48 2HZ LYS 48 11.758 9.285 -4.032 394 3HZ LYS 48 3HZ LYS 48 11.836 7.723 -4.547 395 H VAL 49 H VAL 49 7.518 5.814 -6.874 396 HA VAL 49 HA VAL 49 6.658 5.782 -4.010 397 HB VAL 49 HB VAL 49 6.925 3.408 -5.883 398 1HG1 VAL 49 1HG1 VAL 49 5.447 3.807 -3.236 399 2HG1 VAL 49 2HG1 VAL 49 5.531 2.307 -4.183 400 3HG1 VAL 49 3HG1 VAL 49 6.988 2.958 -3.417 401 1HG2 VAL 49 1HG2 VAL 49 4.466 5.094 -5.267 402 2HG2 VAL 49 2HG2 VAL 49 5.214 4.820 -6.857 403 3HG2 VAL 49 3HG2 VAL 49 4.431 3.479 -6.015 404 H GLU 50 H GLU 50 8.250 5.457 -2.538 405 HA GLU 50 HA GLU 50 11.000 4.755 -3.370 406 1HB GLU 50 1HB GLU 50 10.323 6.742 -1.859 407 2HB GLU 50 2HB GLU 50 10.022 5.536 -0.607 408 1HG GLU 50 1HG GLU 50 12.347 4.791 -0.721 409 2HG GLU 50 2HG GLU 50 12.657 5.888 -2.082 410 H HIS 51 H HIS 51 9.656 2.580 -3.900 411 HA HIS 51 HA HIS 51 8.765 1.072 -1.626 412 1HB HIS 51 1HB HIS 51 8.260 -0.681 -3.172 413 2HB HIS 51 2HB HIS 51 7.831 0.842 -3.944 414 HD2 HIS 51 HD2 HIS 51 9.167 1.375 -6.327 415 HE1 HIS 51 HE1 HIS 51 11.622 -2.073 -6.254 416 HE2 HIS 51 HE2 HIS 51 10.897 -0.066 -7.661 417 H SER 52 H SER 52 9.540 -1.063 -0.986 418 HA SER 52 HA SER 52 12.490 -1.360 -1.034 419 1HB SER 52 1HB SER 52 12.082 -3.117 0.640 420 2HB SER 52 2HB SER 52 11.407 -1.561 1.159 421 HG SER 52 HG SER 52 9.945 -3.628 -0.131 422 H ASP 53 H ASP 53 13.437 -3.224 -1.922 423 HA ASP 53 HA ASP 53 12.239 -4.610 -4.077 424 1HB ASP 53 1HB ASP 53 14.518 -5.469 -2.243 425 2HB ASP 53 2HB ASP 53 14.174 -6.126 -3.849 426 H LEU 54 H LEU 54 11.841 -7.012 -4.127 427 HA LEU 54 HA LEU 54 9.752 -7.585 -2.346 428 1HB LEU 54 1HB LEU 54 9.956 -8.448 -4.666 429 2HB LEU 54 2HB LEU 54 11.260 -9.518 -4.153 430 HG LEU 54 HG LEU 54 9.173 -10.737 -4.384 431 1HD1 LEU 54 1HD1 LEU 54 9.361 -10.715 -1.430 432 2HD1 LEU 54 2HD1 LEU 54 9.328 -12.057 -2.563 433 3HD1 LEU 54 3HD1 LEU 54 10.822 -11.159 -2.369 434 1HD2 LEU 54 1HD2 LEU 54 7.493 -9.065 -4.092 435 2HD2 LEU 54 2HD2 LEU 54 7.237 -10.294 -2.843 436 3HD2 LEU 54 3HD2 LEU 54 7.965 -8.772 -2.411 437 H SER 55 H SER 55 9.714 -8.430 -0.361 438 HA SER 55 HA SER 55 12.116 -9.819 0.752 439 1HB SER 55 1HB SER 55 11.833 -7.483 1.607 440 2HB SER 55 2HB SER 55 10.212 -7.911 2.180 441 HG SER 55 HG SER 55 12.670 -9.110 2.951 442 H PHE 56 H PHE 56 11.113 -11.902 0.154 443 HA PHE 56 HA PHE 56 8.591 -12.547 1.557 444 1HB PHE 56 1HB PHE 56 8.663 -14.629 0.606 445 2HB PHE 56 2HB PHE 56 9.046 -13.481 -0.664 446 HD1 PHE 56 HD1 PHE 56 10.112 -16.362 1.290 447 HD2 PHE 56 HD2 PHE 56 11.356 -13.439 -1.612 448 HE1 PHE 56 HE1 PHE 56 12.114 -17.743 0.767 449 HE2 PHE 56 HE2 PHE 56 13.368 -14.817 -2.136 450 HZ PHE 56 HZ PHE 56 13.724 -16.984 -0.973 451 H SER 57 H SER 57 8.622 -13.269 3.702 452 HA SER 57 HA SER 57 11.166 -13.790 5.025 453 1HB SER 57 1HB SER 57 9.335 -12.921 6.347 454 2HB SER 57 2HB SER 57 8.342 -14.359 6.003 455 HG SER 57 HG SER 57 9.775 -15.569 7.178 456 H LYS 58 H LYS 58 12.122 -15.803 5.233 457 HA LYS 58 HA LYS 58 11.595 -17.957 3.490 458 1HB LYS 58 1HB LYS 58 13.017 -17.866 6.181 459 2HB LYS 58 2HB LYS 58 13.033 -19.256 5.071 460 1HG LYS 58 1HG LYS 58 14.190 -18.032 3.368 461 2HG LYS 58 2HG LYS 58 13.972 -16.498 4.211 462 1HD LYS 58 1HD LYS 58 16.247 -17.280 4.429 463 2HD LYS 58 2HD LYS 58 15.475 -17.170 6.010 464 1HE LYS 58 1HE LYS 58 15.648 -19.809 4.481 465 2HE LYS 58 2HE LYS 58 16.985 -19.208 5.474 466 1HZ LYS 58 1HZ LYS 58 15.524 -19.143 7.353 467 2HZ LYS 58 2HZ LYS 58 14.293 -19.788 6.472 468 3HZ LYS 58 3HZ LYS 58 15.661 -20.662 6.733 469 H ASP 59 H ASP 59 10.181 -17.241 6.614 470 HA ASP 59 HA ASP 59 9.063 -19.854 6.937 471 1HB ASP 59 1HB ASP 59 8.454 -17.199 8.319 472 2HB ASP 59 2HB ASP 59 7.922 -18.788 8.888 473 H TRP 60 H TRP 60 8.299 -19.434 4.515 474 HA TRP 60 HA TRP 60 6.605 -19.377 3.046 475 1HB TRP 60 1HB TRP 60 5.093 -20.367 5.477 476 2HB TRP 60 2HB TRP 60 4.657 -20.632 3.786 477 HD1 TRP 60 HD1 TRP 60 7.079 -21.740 6.462 478 HE1 TRP 60 HE1 TRP 60 8.480 -23.767 5.666 479 HE3 TRP 60 HE3 TRP 60 5.608 -21.881 1.564 480 HZ2 TRP 60 HZ2 TRP 60 8.943 -25.183 3.231 481 HZ3 TRP 60 HZ3 TRP 60 6.565 -23.569 0.026 482 HH2 TRP 60 HH2 TRP 60 8.230 -25.220 0.844 483 H SER 61 H SER 61 6.869 -16.960 3.115 484 HA SER 61 HA SER 61 4.191 -15.762 3.202 485 1HB SER 61 1HB SER 61 5.286 -15.283 5.445 486 2HB SER 61 2HB SER 61 6.571 -14.436 4.567 487 HG SER 61 HG SER 61 4.876 -13.049 5.294 488 H PHE 62 H PHE 62 4.701 -13.298 2.325 489 HA PHE 62 HA PHE 62 6.836 -13.023 0.429 490 1HB PHE 62 1HB PHE 62 4.808 -14.647 -0.556 491 2HB PHE 62 2HB PHE 62 4.287 -13.051 -1.087 492 HD1 PHE 62 HD1 PHE 62 5.497 -11.848 -2.833 493 HD2 PHE 62 HD2 PHE 62 7.007 -15.580 -1.257 494 HE1 PHE 62 HE1 PHE 62 7.152 -11.944 -4.603 495 HE2 PHE 62 HE2 PHE 62 8.603 -15.722 -3.090 496 HZ PHE 62 HZ PHE 62 8.706 -13.898 -4.810 497 H TYR 63 H TYR 63 7.089 -10.720 0.415 498 HA TYR 63 HA TYR 63 4.728 -8.995 0.454 499 1HB TYR 63 1HB TYR 63 5.207 -8.006 2.686 500 2HB TYR 63 2HB TYR 63 4.712 -9.697 2.733 501 HD1 TYR 63 HD1 TYR 63 5.938 -11.430 3.650 502 HD2 TYR 63 HD2 TYR 63 7.595 -7.484 3.189 503 HE1 TYR 63 HE1 TYR 63 7.613 -11.944 5.345 504 HE2 TYR 63 HE2 TYR 63 9.338 -7.994 4.825 505 HH TYR 63 HH TYR 63 10.174 -9.578 6.311 506 H LEU 64 H LEU 64 5.426 -6.712 1.066 507 HA LEU 64 HA LEU 64 8.068 -5.804 0.662 508 1HB LEU 64 1HB LEU 64 7.977 -4.865 -1.562 509 2HB LEU 64 2HB LEU 64 7.819 -6.606 -1.647 510 HG LEU 64 HG LEU 64 5.667 -4.536 -2.037 511 1HD1 LEU 64 1HD1 LEU 64 6.674 -6.675 -3.969 512 2HD1 LEU 64 2HD1 LEU 64 5.445 -5.466 -4.309 513 3HD1 LEU 64 3HD1 LEU 64 7.113 -4.948 -4.037 514 1HD2 LEU 64 1HD2 LEU 64 5.452 -7.557 -1.884 515 2HD2 LEU 64 2HD2 LEU 64 4.429 -6.346 -1.045 516 3HD2 LEU 64 3HD2 LEU 64 4.277 -6.613 -2.786 517 H LEU 65 H LEU 65 8.166 -3.467 0.773 518 HA LEU 65 HA LEU 65 5.743 -2.234 1.941 519 1HB LEU 65 1HB LEU 65 8.304 -2.641 2.916 520 2HB LEU 65 2HB LEU 65 8.450 -1.020 2.256 521 HG LEU 65 HG LEU 65 6.330 -1.954 4.249 522 1HD1 LEU 65 1HD1 LEU 65 8.558 -2.082 5.228 523 2HD1 LEU 65 2HD1 LEU 65 8.946 -0.446 4.647 524 3HD1 LEU 65 3HD1 LEU 65 7.703 -0.679 5.899 525 1HD2 LEU 65 1HD2 LEU 65 5.645 0.064 2.937 526 2HD2 LEU 65 2HD2 LEU 65 5.948 0.416 4.645 527 3HD2 LEU 65 3HD2 LEU 65 7.158 0.861 3.437 528 H TYR 66 H TYR 66 4.981 -0.281 0.996 529 HA TYR 66 HA TYR 66 6.357 0.672 -1.467 530 1HB TYR 66 1HB TYR 66 3.366 0.214 -1.400 531 2HB TYR 66 2HB TYR 66 4.432 0.372 -2.779 532 HD1 TYR 66 HD1 TYR 66 4.719 -1.670 -4.035 533 HD2 TYR 66 HD2 TYR 66 3.817 -1.967 0.186 534 HE1 TYR 66 HE1 TYR 66 3.650 -3.871 -4.378 535 HE2 TYR 66 HE2 TYR 66 2.890 -4.176 -0.170 536 HH TYR 66 HH TYR 66 1.910 -5.556 -1.740 537 H TYR 67 H TYR 67 6.956 2.501 -0.442 538 HA TYR 67 HA TYR 67 4.850 4.125 0.853 539 1HB TYR 67 1HB TYR 67 6.623 4.835 2.351 540 2HB TYR 67 2HB TYR 67 6.052 3.190 2.407 541 HD1 TYR 67 HD1 TYR 67 8.909 5.239 2.389 542 HD2 TYR 67 HD2 TYR 67 7.537 1.359 1.158 543 HE1 TYR 67 HE1 TYR 67 11.217 4.367 2.579 544 HE2 TYR 67 HE2 TYR 67 9.828 0.489 1.297 545 HH TYR 67 HH TYR 67 12.011 0.932 1.888 546 H THR 68 H THR 68 4.787 6.170 0.700 547 HA THR 68 HA THR 68 6.566 7.668 -1.225 548 HB THR 68 HB THR 68 4.591 7.000 -2.314 549 HG1 THR 68 HG1 THR 68 5.589 9.070 -2.680 550 1HG2 THR 68 1HG2 THR 68 2.383 7.780 -1.729 551 2HG2 THR 68 2HG2 THR 68 3.031 6.977 -0.285 552 3HG2 THR 68 3HG2 THR 68 3.003 8.748 -0.384 553 H GLU 69 H GLU 69 6.905 9.909 -0.808 554 HA GLU 69 HA GLU 69 6.469 10.797 1.958 555 1HB GLU 69 1HB GLU 69 7.798 12.846 0.954 556 2HB GLU 69 2HB GLU 69 8.569 11.376 1.521 557 1HG GLU 69 1HG GLU 69 9.528 12.185 -0.589 558 2HG GLU 69 2HG GLU 69 8.927 10.537 -0.699 559 H PHE 70 H PHE 70 4.148 10.689 1.612 560 HA PHE 70 HA PHE 70 2.844 12.345 -0.306 561 1HB PHE 70 1HB PHE 70 0.833 11.676 0.651 562 2HB PHE 70 2HB PHE 70 1.868 10.288 0.935 563 HD1 PHE 70 HD1 PHE 70 3.033 10.294 3.273 564 HD2 PHE 70 HD2 PHE 70 -0.340 12.770 2.370 565 HE1 PHE 70 HE1 PHE 70 2.386 10.307 5.712 566 HE2 PHE 70 HE2 PHE 70 -0.683 13.157 4.799 567 HZ PHE 70 HZ PHE 70 0.617 11.830 6.467 568 H THR 71 H THR 71 2.130 14.325 -0.219 569 HA THR 71 HA THR 71 2.506 15.996 2.222 570 HB THR 71 HB THR 71 2.466 16.806 -0.661 571 HG1 THR 71 HG1 THR 71 4.680 17.057 -0.248 572 1HG2 THR 71 1HG2 THR 71 3.066 18.233 1.970 573 2HG2 THR 71 2HG2 THR 71 3.356 18.927 0.361 574 3HG2 THR 71 3HG2 THR 71 1.702 18.566 0.886 575 HA PRO 72 HA PRO 72 -2.037 15.756 1.572 576 1HB PRO 72 1HB PRO 72 -2.953 16.251 4.079 577 2HB PRO 72 2HB PRO 72 -2.148 14.727 3.616 578 1HG PRO 72 1HG PRO 72 -0.926 17.117 4.997 579 2HG PRO 72 2HG PRO 72 -0.751 15.398 5.440 580 1HD PRO 72 1HD PRO 72 1.099 16.790 3.939 581 2HD PRO 72 2HD PRO 72 0.830 15.037 3.743 582 H THR 73 H THR 73 -1.791 17.593 0.134 583 HA THR 73 HA THR 73 -1.811 20.311 1.112 584 HB THR 73 HB THR 73 -2.115 20.923 -1.238 585 HG1 THR 73 HG1 THR 73 -2.398 18.125 -1.611 586 1HG2 THR 73 1HG2 THR 73 0.018 20.103 -2.056 587 2HG2 THR 73 2HG2 THR 73 0.148 20.463 -0.324 588 3HG2 THR 73 3HG2 THR 73 0.016 18.778 -0.881 589 H GLU 74 H GLU 74 -3.513 20.944 2.287 590 HA GLU 74 HA GLU 74 -5.584 21.389 3.008 591 1HB GLU 74 1HB GLU 74 -6.238 21.529 0.034 592 2HB GLU 74 2HB GLU 74 -7.269 22.118 1.354 593 1HG GLU 74 1HG GLU 74 -5.509 23.669 2.079 594 2HG GLU 74 2HG GLU 74 -4.462 23.122 0.756 595 H LYS 75 H LYS 75 -7.721 20.153 0.710 596 HA LYS 75 HA LYS 75 -8.430 17.972 2.527 597 1HB LYS 75 1HB LYS 75 -10.038 19.697 1.539 598 2HB LYS 75 2HB LYS 75 -9.888 18.836 0.002 599 1HG LYS 75 1HG LYS 75 -10.784 16.782 1.034 600 2HG LYS 75 2HG LYS 75 -10.711 17.535 2.639 601 1HD LYS 75 1HD LYS 75 -12.358 19.254 1.885 602 2HD LYS 75 2HD LYS 75 -12.413 18.484 0.291 603 1HE LYS 75 1HE LYS 75 -14.348 17.830 1.634 604 2HE LYS 75 2HE LYS 75 -13.332 16.418 1.297 605 1HZ LYS 75 1HZ LYS 75 -12.437 16.609 3.495 606 2HZ LYS 75 2HZ LYS 75 -13.323 17.965 3.799 607 3HZ LYS 75 3HZ LYS 75 -14.077 16.518 3.574 608 H ASP 76 H ASP 76 -6.027 17.368 1.452 609 HA ASP 76 HA ASP 76 -6.289 15.666 -0.905 610 1HB ASP 76 1HB ASP 76 -4.153 16.808 0.473 611 2HB ASP 76 2HB ASP 76 -4.065 15.102 0.927 612 H GLU 77 H GLU 77 -6.359 13.386 -0.872 613 HA GLU 77 HA GLU 77 -6.738 11.967 1.690 614 1HB GLU 77 1HB GLU 77 -8.970 12.851 1.019 615 2HB GLU 77 2HB GLU 77 -8.852 11.969 -0.509 616 1HG GLU 77 1HG GLU 77 -8.724 9.828 0.751 617 2HG GLU 77 2HG GLU 77 -8.744 10.721 2.281 618 H TYR 78 H TYR 78 -4.733 11.039 1.179 619 HA TYR 78 HA TYR 78 -4.194 9.763 -1.333 620 1HB TYR 78 1HB TYR 78 -2.819 9.714 1.341 621 2HB TYR 78 2HB TYR 78 -2.341 8.672 0.012 622 HD1 TYR 78 HD1 TYR 78 -3.034 12.312 0.702 623 HD2 TYR 78 HD2 TYR 78 -0.731 9.412 -1.494 624 HE1 TYR 78 HE1 TYR 78 -1.689 14.129 -0.302 625 HE2 TYR 78 HE2 TYR 78 0.604 11.261 -2.505 626 HH TYR 78 HH TYR 78 1.063 13.503 -2.504 627 H ALA 79 H ALA 79 -4.192 7.599 -1.839 628 HA ALA 79 HA ALA 79 -5.296 5.624 0.030 629 1HB ALA 79 1HB ALA 79 -6.456 6.161 -2.762 630 2HB ALA 79 2HB ALA 79 -6.986 4.901 -1.650 631 3HB ALA 79 3HB ALA 79 -7.244 6.611 -1.242 632 H CYS 80 H CYS 80 -5.218 3.402 -0.968 633 HA CYS 80 HA CYS 80 -2.857 3.058 -2.762 634 1HB CYS 80 1HB CYS 80 -3.313 1.944 0.017 635 2HB CYS 80 2HB CYS 80 -2.245 1.157 -1.155 636 H ARG 81 H ARG 81 -3.409 1.876 -4.423 637 HA ARG 81 HA ARG 81 -5.749 0.175 -4.571 638 1HB ARG 81 1HB ARG 81 -4.655 1.264 -6.551 639 2HB ARG 81 2HB ARG 81 -3.207 0.303 -6.227 640 1HG ARG 81 1HG ARG 81 -4.610 -1.797 -6.596 641 2HG ARG 81 2HG ARG 81 -5.924 -0.724 -7.118 642 1HD ARG 81 1HD ARG 81 -4.377 0.193 -8.882 643 2HD ARG 81 2HD ARG 81 -3.140 -0.946 -8.299 644 HE ARG 81 HE ARG 81 -5.671 -2.194 -9.031 645 1HH1 ARG 81 1HH2 ARG 81 -2.543 -1.076 -10.343 646 2HH1 ARG 81 2HH2 ARG 81 -2.446 -2.401 -11.487 647 1HH2 ARG 81 1HH1 ARG 81 -5.571 -3.806 -10.659 648 2HH2 ARG 81 2HH1 ARG 81 -4.150 -3.936 -11.664 649 H VAL 82 H VAL 82 -5.768 -2.142 -4.095 650 HA VAL 82 HA VAL 82 -3.124 -3.450 -3.938 651 HB VAL 82 HB VAL 82 -5.360 -3.909 -1.915 652 1HG1 VAL 82 1HG1 VAL 82 -4.114 -5.945 -2.520 653 2HG1 VAL 82 2HG1 VAL 82 -2.575 -5.077 -2.299 654 3HG1 VAL 82 3HG1 VAL 82 -3.627 -5.403 -0.905 655 1HG2 VAL 82 1HG2 VAL 82 -4.204 -1.815 -1.358 656 2HG2 VAL 82 2HG2 VAL 82 -3.639 -3.081 -0.271 657 3HG2 VAL 82 3HG2 VAL 82 -2.620 -2.583 -1.624 658 H ASN 83 H ASN 83 -3.154 -4.701 -5.682 659 HA ASN 83 HA ASN 83 -5.517 -6.464 -6.139 660 1HB ASN 83 1HB ASN 83 -5.508 -4.504 -7.732 661 2HB ASN 83 2HB ASN 83 -3.990 -5.089 -8.382 662 1HD2 ASN 83 2HD2 ASN 83 -3.990 -6.845 -9.845 663 2HD2 ASN 83 1HD2 ASN 83 -5.451 -7.701 -10.290 664 H HIS 84 H HIS 84 -4.333 -8.099 -5.026 665 HA HIS 84 HA HIS 84 -1.739 -9.090 -6.029 666 1HB HIS 84 1HB HIS 84 -2.352 -9.354 -3.685 667 2HB HIS 84 2HB HIS 84 -3.819 -10.208 -4.153 668 HD2 HIS 84 HD2 HIS 84 0.102 -10.841 -4.434 669 HE1 HIS 84 HE1 HIS 84 -2.004 -14.495 -4.724 670 HE2 HIS 84 HE2 HIS 84 0.338 -13.430 -4.602 671 H VAL 85 H VAL 85 -1.720 -11.135 -7.291 672 HA VAL 85 HA VAL 85 -3.561 -11.265 -9.354 673 HB VAL 85 HB VAL 85 -1.377 -12.175 -9.537 674 1HG1 VAL 85 1HG1 VAL 85 -1.027 -13.224 -7.352 675 2HG1 VAL 85 2HG1 VAL 85 -2.260 -14.457 -7.715 676 3HG1 VAL 85 3HG1 VAL 85 -0.754 -14.394 -8.647 677 1HG2 VAL 85 1HG2 VAL 85 -3.363 -14.429 -9.998 678 2HG2 VAL 85 2HG2 VAL 85 -3.212 -12.997 -11.042 679 3HG2 VAL 85 3HG2 VAL 85 -1.850 -14.116 -10.868 680 H THR 86 H THR 86 -3.822 -13.004 -6.240 681 HA THR 86 HA THR 86 -6.068 -14.565 -7.202 682 HB THR 86 HB THR 86 -4.345 -15.199 -5.407 683 HG1 THR 86 HG1 THR 86 -6.089 -16.442 -6.150 684 1HG2 THR 86 1HG2 THR 86 -6.545 -14.175 -3.592 685 2HG2 THR 86 2HG2 THR 86 -4.985 -14.895 -3.143 686 3HG2 THR 86 3HG2 THR 86 -5.039 -13.266 -3.849 687 H LEU 87 H LEU 87 -5.796 -11.309 -5.868 688 HA LEU 87 HA LEU 87 -8.660 -11.130 -5.209 689 1HB LEU 87 1HB LEU 87 -6.402 -9.146 -5.556 690 2HB LEU 87 2HB LEU 87 -8.071 -8.627 -5.626 691 HG LEU 87 HG LEU 87 -8.569 -9.286 -3.423 692 1HD1 LEU 87 1HD1 LEU 87 -5.768 -10.461 -3.223 693 2HD1 LEU 87 2HD1 LEU 87 -6.900 -10.225 -1.879 694 3HD1 LEU 87 3HD1 LEU 87 -7.291 -11.366 -3.173 695 1HD2 LEU 87 1HD2 LEU 87 -7.419 -7.115 -3.806 696 2HD2 LEU 87 2HD2 LEU 87 -7.033 -7.777 -2.206 697 3HD2 LEU 87 3HD2 LEU 87 -5.850 -7.893 -3.524 698 H SER 88 H SER 88 -10.093 -11.424 -6.831 699 HA SER 88 HA SER 88 -9.622 -10.944 -9.597 700 1HB SER 88 1HB SER 88 -12.276 -10.854 -8.111 701 2HB SER 88 2HB SER 88 -12.006 -11.202 -9.830 702 HG SER 88 HG SER 88 -10.756 -13.043 -9.079 703 H GLN 89 H GLN 89 -10.301 -8.750 -6.920 704 HA GLN 89 HA GLN 89 -11.125 -6.589 -8.797 705 1HB GLN 89 1HB GLN 89 -11.924 -6.861 -5.893 706 2HB GLN 89 2HB GLN 89 -12.552 -5.729 -7.091 707 1HG GLN 89 1HG GLN 89 -12.974 -8.751 -6.987 708 2HG GLN 89 2HG GLN 89 -14.164 -7.499 -6.649 709 1HE2 GLN 89 2HE2 GLN 89 -14.353 -5.802 -8.599 710 2HE2 GLN 89 1HE2 GLN 89 -14.549 -6.562 -10.165 711 HA PRO 90 HA PRO 90 -7.573 -4.535 -6.864 712 1HB PRO 90 1HB PRO 90 -7.800 -2.035 -7.930 713 2HB PRO 90 2HB PRO 90 -7.291 -3.453 -8.891 714 1HG PRO 90 1HG PRO 90 -10.057 -2.250 -8.744 715 2HG PRO 90 2HG PRO 90 -9.126 -2.708 -10.197 716 1HD PRO 90 1HD PRO 90 -11.008 -4.350 -9.077 717 2HD PRO 90 2HD PRO 90 -9.528 -5.009 -9.837 718 H LYS 91 H LYS 91 -8.018 -4.516 -4.750 719 HA LYS 91 HA LYS 91 -10.330 -3.199 -3.575 720 1HB LYS 91 1HB LYS 91 -9.536 -5.387 -2.836 721 2HB LYS 91 2HB LYS 91 -7.950 -4.714 -2.429 722 1HG LYS 91 1HG LYS 91 -9.021 -3.252 -0.720 723 2HG LYS 91 2HG LYS 91 -10.602 -3.946 -1.141 724 1HD LYS 91 1HD LYS 91 -9.862 -6.164 -0.396 725 2HD LYS 91 2HD LYS 91 -8.202 -5.581 -0.190 726 1HE LYS 91 1HE LYS 91 -9.319 -5.750 1.983 727 2HE LYS 91 2HE LYS 91 -8.896 -4.071 1.616 728 1HZ LYS 91 1HZ LYS 91 -11.555 -5.266 1.258 729 2HZ LYS 91 2HZ LYS 91 -11.103 -4.289 2.506 730 3HZ LYS 91 3HZ LYS 91 -11.154 -3.693 0.972 731 H ILE 92 H ILE 92 -10.160 -0.954 -3.686 732 HA ILE 92 HA ILE 92 -7.592 0.323 -3.229 733 HB ILE 92 HB ILE 92 -10.239 1.738 -3.628 734 1HG1 ILE 92 1HG1 ILE 92 -10.209 0.201 -5.458 735 2HG1 ILE 92 2HG1 ILE 92 -9.794 1.812 -6.021 736 1HG2 ILE 92 1HG2 ILE 92 -7.309 2.401 -4.161 737 2HG2 ILE 92 2HG2 ILE 92 -8.679 3.416 -4.652 738 3HG2 ILE 92 3HG2 ILE 92 -8.363 3.113 -2.931 739 1HD1 ILE 92 1HD1 ILE 92 -7.392 1.190 -6.103 740 2HD1 ILE 92 2HD1 ILE 92 -7.808 -0.450 -5.540 741 3HD1 ILE 92 3HD1 ILE 92 -8.401 0.135 -7.102 742 H VAL 93 H VAL 93 -7.068 -0.037 -1.050 743 HA VAL 93 HA VAL 93 -8.904 0.772 1.106 744 HB VAL 93 HB VAL 93 -5.967 -0.043 1.098 745 1HG1 VAL 93 1HG1 VAL 93 -7.864 0.514 3.424 746 2HG1 VAL 93 2HG1 VAL 93 -6.258 -0.233 3.565 747 3HG1 VAL 93 3HG1 VAL 93 -6.402 1.438 3.017 748 1HG2 VAL 93 1HG2 VAL 93 -7.430 -1.913 0.538 749 2HG2 VAL 93 2HG2 VAL 93 -6.889 -2.093 2.214 750 3HG2 VAL 93 3HG2 VAL 93 -8.527 -1.510 1.877 751 H LYS 94 H LYS 94 -9.338 2.970 1.188 752 HA LYS 94 HA LYS 94 -7.228 4.880 0.605 753 1HB LYS 94 1HB LYS 94 -8.651 6.593 0.939 754 2HB LYS 94 2HB LYS 94 -9.671 5.353 0.206 755 1HG LYS 94 1HG LYS 94 -10.670 4.873 2.428 756 2HG LYS 94 2HG LYS 94 -9.563 6.037 3.197 757 1HD LYS 94 1HD LYS 94 -10.415 7.862 1.827 758 2HD LYS 94 2HD LYS 94 -11.543 6.764 1.009 759 1HE LYS 94 1HE LYS 94 -12.681 6.346 3.179 760 2HE LYS 94 2HE LYS 94 -11.534 7.437 3.988 761 1HZ LYS 94 1HZ LYS 94 -13.332 8.234 1.808 762 2HZ LYS 94 2HZ LYS 94 -13.608 8.516 3.411 763 3HZ LYS 94 3HZ LYS 94 -12.319 9.218 2.654 764 H TRP 95 H TRP 95 -6.039 6.106 2.078 765 HA TRP 95 HA TRP 95 -5.519 4.794 4.628 766 1HB TRP 95 1HB TRP 95 -3.651 5.639 3.440 767 2HB TRP 95 2HB TRP 95 -4.430 7.187 3.168 768 HD1 TRP 95 HD1 TRP 95 -3.559 5.332 6.478 769 HE1 TRP 95 HE1 TRP 95 -2.348 7.020 8.016 770 HE3 TRP 95 HE3 TRP 95 -3.441 9.356 3.339 771 HZ2 TRP 95 HZ2 TRP 95 -1.688 9.862 7.973 772 HZ3 TRP 95 HZ3 TRP 95 -2.508 11.503 4.092 773 HH2 TRP 95 HH2 TRP 95 -1.745 11.782 6.423 774 H ASP 96 H ASP 96 -6.717 5.151 6.375 775 HA ASP 96 HA ASP 96 -8.422 7.484 6.766 776 1HB ASP 96 1HB ASP 96 -9.030 5.255 7.659 777 2HB ASP 96 2HB ASP 96 -7.541 5.244 8.624 778 H ARG 97 H ARG 97 -8.022 9.144 8.288 779 HA ARG 97 HA ARG 97 -5.155 9.520 9.082 780 1HB ARG 97 1HB ARG 97 -6.001 10.730 7.007 781 2HB ARG 97 2HB ARG 97 -7.015 11.696 8.086 782 1HG ARG 97 1HG ARG 97 -4.914 12.447 9.298 783 2HG ARG 97 2HG ARG 97 -3.961 11.464 8.187 784 1HD ARG 97 1HD ARG 97 -5.805 13.762 7.417 785 2HD ARG 97 2HD ARG 97 -4.038 13.870 7.546 786 HE ARG 97 HE ARG 97 -4.531 11.747 5.817 787 1HH1 ARG 97 1HH2 ARG 97 -5.169 15.242 5.804 788 2HH1 ARG 97 2HH2 ARG 97 -5.374 15.314 4.070 789 1HH2 ARG 97 1HH1 ARG 97 -4.752 11.873 3.558 790 2HH2 ARG 97 2HH1 ARG 97 -5.144 13.402 2.800 791 H ASP 98 H ASP 98 -7.200 8.390 10.797 792 HA ASP 98 HA ASP 98 -7.698 10.561 12.751 793 1HB ASP 98 1HB ASP 98 -9.380 8.764 12.252 794 2HB ASP 98 2HB ASP 98 -8.266 7.580 12.946 795 H MET 99 H MET 99 -5.163 10.696 12.329 796 HA MET 99 HA MET 99 -3.692 9.203 14.440 797 1HB MET 99 1HB MET 99 -2.921 9.477 11.495 798 2HB MET 99 2HB MET 99 -1.864 8.862 12.767 799 1HG MET 99 1HG MET 99 -4.488 7.606 11.845 800 2HG MET 99 2HG MET 99 -2.882 7.057 11.413 801 1HE MET 99 1HE MET 99 -1.203 5.858 12.979 802 2HE MET 99 2HE MET 99 -1.236 7.148 14.210 803 3HE MET 99 3HE MET 99 -1.517 5.460 14.679 Start of MODEL 10 1 1H MET 0 1H MET 0 -6.276 -23.749 -0.086 2 2H MET 0 2H MET 0 -4.656 -23.430 -0.042 3 3H MET 0 3H MET 0 -5.734 -22.194 0.061 4 HA MET 0 HA MET 0 -5.363 -23.937 -2.253 5 1HB MET 0 1HB MET 0 -7.087 -21.454 -1.854 6 2HB MET 0 2HB MET 0 -6.776 -22.206 -3.424 7 1HG MET 0 1HG MET 0 -7.780 -24.315 -2.653 8 2HG MET 0 2HG MET 0 -8.183 -23.556 -1.100 9 1HE MET 0 1HE MET 0 -10.593 -24.550 -1.607 10 2HE MET 0 2HE MET 0 -11.648 -23.981 -2.921 11 3HE MET 0 3HE MET 0 -10.261 -25.029 -3.291 12 H ILE 1 H ILE 1 -4.770 -22.486 -4.204 13 HA ILE 1 HA ILE 1 -2.196 -21.485 -3.811 14 HB ILE 1 HB ILE 1 -3.333 -22.525 -5.832 15 1HG1 ILE 1 1HG1 ILE 1 -0.992 -21.835 -5.857 16 2HG1 ILE 1 2HG1 ILE 1 -1.815 -21.796 -7.409 17 1HG2 ILE 1 1HG2 ILE 1 -5.184 -20.960 -6.028 18 2HG2 ILE 1 2HG2 ILE 1 -4.061 -19.651 -6.466 19 3HG2 ILE 1 3HG2 ILE 1 -4.236 -21.065 -7.526 20 1HD1 ILE 1 1HD1 ILE 1 -1.964 -19.354 -7.360 21 2HD1 ILE 1 2HD1 ILE 1 -1.195 -19.323 -5.759 22 3HD1 ILE 1 3HD1 ILE 1 -0.294 -19.902 -7.160 23 H GLN 2 H GLN 2 -5.221 -19.931 -3.859 24 HA GLN 2 HA GLN 2 -4.241 -17.174 -4.040 25 1HB GLN 2 1HB GLN 2 -7.007 -18.330 -3.501 26 2HB GLN 2 2HB GLN 2 -6.643 -16.610 -3.674 27 1HG GLN 2 1HG GLN 2 -5.692 -17.121 -5.974 28 2HG GLN 2 2HG GLN 2 -6.350 -18.754 -5.818 29 1HE2 GLN 2 2HE2 GLN 2 -8.810 -18.587 -4.832 30 2HE2 GLN 2 1HE2 GLN 2 -9.827 -17.536 -5.793 31 H ARG 3 H ARG 3 -2.746 -17.382 -2.144 32 HA ARG 3 HA ARG 3 -3.915 -17.296 0.538 33 1HB ARG 3 1HB ARG 3 -1.254 -16.423 -0.563 34 2HB ARG 3 2HB ARG 3 -1.723 -16.295 1.143 35 1HG ARG 3 1HG ARG 3 -2.012 -18.757 1.255 36 2HG ARG 3 2HG ARG 3 -1.542 -18.882 -0.453 37 1HD ARG 3 1HD ARG 3 0.414 -19.386 0.911 38 2HD ARG 3 2HD ARG 3 0.653 -17.842 0.092 39 HE ARG 3 HE ARG 3 0.592 -16.673 2.037 40 1HH1 ARG 3 1HH2 ARG 3 -0.324 -20.026 2.770 41 2HH1 ARG 3 2HH2 ARG 3 -0.018 -19.856 4.479 42 1HH2 ARG 3 1HH1 ARG 3 1.020 -16.481 4.237 43 2HH2 ARG 3 2HH1 ARG 3 0.745 -17.819 5.325 44 H THR 4 H THR 4 -5.247 -15.665 1.115 45 HA THR 4 HA THR 4 -5.586 -13.312 -0.372 46 HB THR 4 HB THR 4 -6.432 -13.870 2.500 47 HG1 THR 4 HG1 THR 4 -7.573 -14.610 0.016 48 1HG2 THR 4 1HG2 THR 4 -8.365 -12.449 1.950 49 2HG2 THR 4 2HG2 THR 4 -6.861 -11.529 1.766 50 3HG2 THR 4 3HG2 THR 4 -7.712 -12.146 0.328 51 HA PRO 5 HA PRO 5 -2.191 -10.985 1.492 52 1HB PRO 5 1HB PRO 5 -2.687 -8.491 0.486 53 2HB PRO 5 2HB PRO 5 -2.098 -9.835 -0.535 54 1HG PRO 5 1HG PRO 5 -4.947 -8.888 -0.173 55 2HG PRO 5 2HG PRO 5 -4.076 -9.208 -1.698 56 1HD PRO 5 1HD PRO 5 -5.723 -11.059 -0.553 57 2HD PRO 5 2HD PRO 5 -4.214 -11.563 -1.373 58 H LYS 6 H LYS 6 -2.007 -10.209 3.540 59 HA LYS 6 HA LYS 6 -4.287 -8.954 4.920 60 1HB LYS 6 1HB LYS 6 -2.779 -10.703 5.989 61 2HB LYS 6 2HB LYS 6 -1.480 -9.495 5.934 62 1HG LYS 6 1HG LYS 6 -3.152 -7.916 7.128 63 2HG LYS 6 2HG LYS 6 -4.121 -9.367 7.425 64 1HD LYS 6 1HD LYS 6 -2.193 -10.409 8.597 65 2HD LYS 6 2HD LYS 6 -1.200 -8.979 8.240 66 1HE LYS 6 1HE LYS 6 -2.790 -7.556 9.528 67 2HE LYS 6 2HE LYS 6 -3.737 -9.002 9.935 68 1HZ LYS 6 1HZ LYS 6 -1.808 -9.865 11.050 69 2HZ LYS 6 2HZ LYS 6 -0.930 -8.526 10.657 70 3HZ LYS 6 3HZ LYS 6 -2.222 -8.395 11.670 71 H ILE 7 H ILE 7 -4.533 -6.816 4.703 72 HA ILE 7 HA ILE 7 -2.337 -5.046 3.878 73 HB ILE 7 HB ILE 7 -3.972 -3.446 3.429 74 1HG1 ILE 7 1HG1 ILE 7 -5.564 -3.551 5.226 75 2HG1 ILE 7 2HG1 ILE 7 -6.357 -3.666 3.670 76 1HG2 ILE 7 1HG2 ILE 7 -4.931 -6.155 2.430 77 2HG2 ILE 7 2HG2 ILE 7 -5.279 -4.580 1.704 78 3HG2 ILE 7 3HG2 ILE 7 -3.611 -5.174 1.770 79 1HD1 ILE 7 1HD1 ILE 7 -5.978 -5.934 5.654 80 2HD1 ILE 7 2HD1 ILE 7 -7.470 -5.138 5.163 81 3HD1 ILE 7 3HD1 ILE 7 -6.608 -6.151 3.999 82 H GLN 8 H GLN 8 -1.256 -3.624 5.351 83 HA GLN 8 HA GLN 8 -2.706 -2.779 7.767 84 1HB GLN 8 1HB GLN 8 -0.524 -3.118 8.931 85 2HB GLN 8 2HB GLN 8 -1.491 -4.566 8.666 86 1HG GLN 8 1HG GLN 8 0.572 -3.968 6.578 87 2HG GLN 8 2HG GLN 8 1.196 -4.329 8.177 88 1HE2 GLN 8 2HE2 GLN 8 2.193 -6.216 7.510 89 2HE2 GLN 8 1HE2 GLN 8 1.323 -7.661 7.059 90 H VAL 9 H VAL 9 -2.982 -0.973 6.235 91 HA VAL 9 HA VAL 9 -0.712 0.535 5.325 92 HB VAL 9 HB VAL 9 -3.637 1.321 5.588 93 1HG1 VAL 9 1HG1 VAL 9 -2.199 3.310 5.363 94 2HG1 VAL 9 2HG1 VAL 9 -1.374 2.575 3.975 95 3HG1 VAL 9 3HG1 VAL 9 -3.091 3.018 3.868 96 1HG2 VAL 9 1HG2 VAL 9 -2.063 0.182 3.230 97 2HG2 VAL 9 2HG2 VAL 9 -3.368 -0.640 4.108 98 3HG2 VAL 9 3HG2 VAL 9 -3.723 0.802 3.151 99 H TYR 10 H TYR 10 0.521 1.906 6.479 100 HA TYR 10 HA TYR 10 -0.492 3.059 9.054 101 1HB TYR 10 1HB TYR 10 2.397 2.817 8.300 102 2HB TYR 10 2HB TYR 10 1.666 2.996 9.878 103 HD1 TYR 10 HD1 TYR 10 0.002 0.965 10.541 104 HD2 TYR 10 HD2 TYR 10 3.227 0.734 7.693 105 HE1 TYR 10 HE1 TYR 10 0.266 -1.460 11.024 106 HE2 TYR 10 HE2 TYR 10 3.523 -1.671 8.214 107 HH TYR 10 HH TYR 10 1.577 -3.325 10.733 108 H SER 11 H SER 11 0.577 5.152 9.595 109 HA SER 11 HA SER 11 1.575 6.740 7.274 110 1HB SER 11 1HB SER 11 1.124 8.773 8.495 111 2HB SER 11 2HB SER 11 -0.343 7.838 8.178 112 HG SER 11 HG SER 11 -0.153 8.726 10.309 113 H ARG 12 H ARG 12 3.738 7.304 7.444 114 HA ARG 12 HA ARG 12 5.355 6.066 9.489 115 1HB ARG 12 1HB ARG 12 5.929 6.548 6.997 116 2HB ARG 12 2HB ARG 12 6.281 8.183 7.545 117 1HG ARG 12 1HG ARG 12 7.929 7.256 9.184 118 2HG ARG 12 2HG ARG 12 7.557 5.626 8.588 119 1HD ARG 12 1HD ARG 12 8.257 6.421 6.260 120 2HD ARG 12 2HD ARG 12 8.765 7.936 7.005 121 HE ARG 12 HE ARG 12 10.642 6.941 7.841 122 1HH1 ARG 12 1HH2 ARG 12 8.404 4.374 6.819 123 2HH1 ARG 12 2HH2 ARG 12 9.607 3.116 6.915 124 1HH2 ARG 12 1HH1 ARG 12 12.196 5.274 7.995 125 2HH2 ARG 12 2HH1 ARG 12 11.767 3.627 7.614 126 H HIS 13 H HIS 13 4.622 9.419 8.528 127 HA HIS 13 HA HIS 13 5.546 10.493 11.156 128 1HB HIS 13 1HB HIS 13 5.367 11.839 8.444 129 2HB HIS 13 2HB HIS 13 6.028 12.539 9.926 130 HD2 HIS 13 HD2 HIS 13 7.643 11.832 6.956 131 HE1 HIS 13 HE1 HIS 13 9.981 9.491 9.589 132 HE2 HIS 13 HE2 HIS 13 9.906 10.561 7.269 133 HA PRO 14 HA PRO 14 1.338 11.810 11.706 134 1HB PRO 14 1HB PRO 14 1.543 14.127 13.141 135 2HB PRO 14 2HB PRO 14 1.953 12.522 13.814 136 1HG PRO 14 1HG PRO 14 3.843 14.576 12.649 137 2HG PRO 14 2HG PRO 14 4.011 13.683 14.188 138 1HD PRO 14 1HD PRO 14 5.265 12.923 11.901 139 2HD PRO 14 2HD PRO 14 4.669 11.699 13.040 140 H ALA 15 H ALA 15 -0.144 12.880 10.425 141 HA ALA 15 HA ALA 15 0.850 14.217 8.115 142 1HB ALA 15 1HB ALA 15 -1.109 12.778 8.103 143 2HB ALA 15 2HB ALA 15 -1.990 13.945 9.113 144 3HB ALA 15 3HB ALA 15 -1.501 14.388 7.467 145 H GLU 16 H GLU 16 0.669 16.286 7.442 146 HA GLU 16 HA GLU 16 -0.199 18.482 9.251 147 1HB GLU 16 1HB GLU 16 2.532 18.110 7.973 148 2HB GLU 16 2HB GLU 16 1.966 19.643 8.655 149 1HG GLU 16 1HG GLU 16 1.929 18.714 10.884 150 2HG GLU 16 2HG GLU 16 2.221 17.077 10.286 151 H ASN 17 H ASN 17 -1.650 19.555 7.951 152 HA ASN 17 HA ASN 17 -2.006 18.917 5.266 153 1HB ASN 17 1HB ASN 17 -3.051 21.196 6.957 154 2HB ASN 17 2HB ASN 17 -3.516 20.934 5.274 155 1HD2 ASN 17 2HD2 ASN 17 -5.713 20.778 6.285 156 2HD2 ASN 17 1HD2 ASN 17 -6.237 19.198 6.827 157 H GLY 18 H GLY 18 -0.712 19.352 3.596 158 1HA GLY 18 1HA GLY 18 0.401 20.579 2.028 159 2HA GLY 18 2HA GLY 18 0.144 22.054 2.964 160 H LYS 19 H LYS 19 1.696 19.085 4.243 161 HA LYS 19 HA LYS 19 4.405 20.133 3.773 162 1HB LYS 19 1HB LYS 19 3.745 21.126 5.855 163 2HB LYS 19 2HB LYS 19 3.295 19.530 6.467 164 1HG LYS 19 1HG LYS 19 6.163 20.159 5.654 165 2HG LYS 19 2HG LYS 19 5.515 20.594 7.244 166 1HD LYS 19 1HD LYS 19 4.777 18.182 7.522 167 2HD LYS 19 2HD LYS 19 5.780 17.780 6.131 168 1HE LYS 19 1HE LYS 19 7.785 18.481 7.252 169 2HE LYS 19 2HE LYS 19 6.850 19.104 8.633 170 1HZ LYS 19 1HZ LYS 19 6.919 16.294 7.791 171 2HZ LYS 19 2HZ LYS 19 7.740 16.943 9.071 172 3HZ LYS 19 3HZ LYS 19 6.093 16.920 9.076 173 H SER 20 H SER 20 5.328 18.605 2.989 174 HA SER 20 HA SER 20 4.535 16.119 2.514 175 1HB SER 20 1HB SER 20 6.381 17.347 1.366 176 2HB SER 20 2HB SER 20 7.453 16.515 2.525 177 HG SER 20 HG SER 20 6.519 14.540 1.804 178 H ASN 21 H ASN 21 4.293 14.364 3.763 179 HA ASN 21 HA ASN 21 6.090 13.650 6.044 180 1HB ASN 21 1HB ASN 21 3.139 13.409 5.526 181 2HB ASN 21 2HB ASN 21 3.916 12.388 6.737 182 1HD2 ASN 21 2HD2 ASN 21 2.485 15.433 6.268 183 2HD2 ASN 21 1HD2 ASN 21 3.035 16.142 7.775 184 H PHE 22 H PHE 22 4.809 10.889 6.031 185 HA PHE 22 HA PHE 22 5.551 9.777 3.440 186 1HB PHE 22 1HB PHE 22 7.205 9.436 5.874 187 2HB PHE 22 2HB PHE 22 6.723 7.934 5.100 188 HD1 PHE 22 HD1 PHE 22 7.364 7.358 2.809 189 HD2 PHE 22 HD2 PHE 22 8.863 10.896 4.771 190 HE1 PHE 22 HE1 PHE 22 9.271 7.433 1.223 191 HE2 PHE 22 HE2 PHE 22 10.790 10.936 3.208 192 HZ PHE 22 HZ PHE 22 11.005 9.191 1.446 193 H LEU 23 H LEU 23 4.136 8.336 2.858 194 HA LEU 23 HA LEU 23 2.189 7.229 4.804 195 1HB LEU 23 1HB LEU 23 1.294 8.712 3.096 196 2HB LEU 23 2HB LEU 23 2.092 7.780 1.822 197 HG LEU 23 HG LEU 23 0.595 5.873 2.331 198 1HD1 LEU 23 1HD1 LEU 23 -0.572 7.796 4.394 199 2HD1 LEU 23 2HD1 LEU 23 -1.314 6.254 3.878 200 3HD1 LEU 23 3HD1 LEU 23 0.219 6.253 4.746 201 1HD2 LEU 23 1HD2 LEU 23 -0.075 7.700 0.724 202 2HD2 LEU 23 2HD2 LEU 23 -1.477 6.951 1.520 203 3HD2 LEU 23 3HD2 LEU 23 -0.883 8.539 2.058 204 H ASN 24 H ASN 24 2.033 4.998 4.995 205 HA ASN 24 HA ASN 24 3.901 3.368 3.319 206 1HB ASN 24 1HB ASN 24 3.085 2.974 6.205 207 2HB ASN 24 2HB ASN 24 4.239 2.008 5.293 208 1HD2 ASN 24 2HD2 ASN 24 5.824 4.026 4.102 209 2HD2 ASN 24 1HD2 ASN 24 6.627 4.935 5.361 210 H CYS 25 H CYS 25 2.492 2.400 1.829 211 HA CYS 25 HA CYS 25 0.244 0.814 2.912 212 1HB CYS 25 1HB CYS 25 1.525 0.370 0.222 213 2HB CYS 25 2HB CYS 25 -0.076 -0.061 0.781 214 H TYR 26 H TYR 26 0.791 -1.035 4.044 215 HA TYR 26 HA TYR 26 3.246 -2.546 3.254 216 1HB TYR 26 1HB TYR 26 3.406 -1.433 5.511 217 2HB TYR 26 2HB TYR 26 2.030 -2.362 6.046 218 HD1 TYR 26 HD1 TYR 26 2.411 -5.098 5.414 219 HD2 TYR 26 HD2 TYR 26 5.374 -2.162 6.494 220 HE1 TYR 26 HE1 TYR 26 3.863 -6.881 6.254 221 HE2 TYR 26 HE2 TYR 26 6.865 -3.981 7.262 222 HH TYR 26 HH TYR 26 5.976 -7.437 7.019 223 H VAL 27 H VAL 27 2.743 -4.615 2.612 224 HA VAL 27 HA VAL 27 0.153 -5.783 3.437 225 HB VAL 27 HB VAL 27 1.212 -6.004 0.581 226 1HG1 VAL 27 1HG1 VAL 27 -1.542 -6.578 1.759 227 2HG1 VAL 27 2HG1 VAL 27 -0.989 -6.906 0.104 228 3HG1 VAL 27 3HG1 VAL 27 -0.330 -7.828 1.464 229 1HG2 VAL 27 1HG2 VAL 27 -0.997 -4.203 1.585 230 2HG2 VAL 27 2HG2 VAL 27 0.560 -3.661 0.917 231 3HG2 VAL 27 3HG2 VAL 27 -0.576 -4.532 -0.120 232 H SER 28 H SER 28 0.349 -8.024 3.846 233 HA SER 28 HA SER 28 2.675 -9.424 2.812 234 1HB SER 28 1HB SER 28 3.376 -10.343 4.978 235 2HB SER 28 2HB SER 28 3.657 -8.619 4.946 236 HG SER 28 HG SER 28 1.402 -9.962 6.088 237 H GLY 29 H GLY 29 2.549 -11.678 2.903 238 1HA GLY 29 1HA GLY 29 1.651 -13.581 4.036 239 2HA GLY 29 2HA GLY 29 0.037 -12.898 3.953 240 H PHE 30 H PHE 30 1.614 -12.414 0.972 241 HA PHE 30 HA PHE 30 -0.449 -14.269 -0.085 242 1HB PHE 30 1HB PHE 30 -0.911 -12.515 -1.645 243 2HB PHE 30 2HB PHE 30 -1.103 -12.106 0.022 244 HD1 PHE 30 HD1 PHE 30 0.939 -11.462 -3.016 245 HD2 PHE 30 HD2 PHE 30 0.130 -10.250 1.044 246 HE1 PHE 30 HE1 PHE 30 2.782 -9.860 -3.139 247 HE2 PHE 30 HE2 PHE 30 1.833 -8.468 0.801 248 HZ PHE 30 HZ PHE 30 3.147 -8.281 -1.259 249 H HIS 31 H HIS 31 0.493 -16.055 -1.141 250 HA HIS 31 HA HIS 31 2.526 -15.485 -3.240 251 1HB HIS 31 1HB HIS 31 3.257 -17.562 -3.221 252 2HB HIS 31 2HB HIS 31 2.769 -17.463 -1.538 253 HD2 HIS 31 HD2 HIS 31 1.300 -18.841 -4.957 254 HE1 HIS 31 HE1 HIS 31 0.009 -21.324 -1.779 255 HE2 HIS 31 HE2 HIS 31 -0.030 -21.010 -4.313 256 HA PRO 32 HA PRO 32 2.910 -16.494 -5.376 257 1HB PRO 32 1HB PRO 32 2.693 -15.811 -7.984 258 2HB PRO 32 2HB PRO 32 1.983 -17.319 -7.355 259 1HG PRO 32 1HG PRO 32 0.586 -14.658 -7.694 260 2HG PRO 32 2HG PRO 32 0.093 -16.224 -8.413 261 1HD PRO 32 1HD PRO 32 -0.968 -15.355 -6.059 262 2HD PRO 32 2HD PRO 32 -0.554 -17.076 -6.284 263 H SER 33 H SER 33 4.153 -14.718 -7.051 264 HA SER 33 HA SER 33 4.636 -12.671 -5.097 265 1HB SER 33 1HB SER 33 6.580 -12.192 -6.571 266 2HB SER 33 2HB SER 33 6.430 -13.913 -6.156 267 HG SER 33 HG SER 33 5.582 -12.696 -8.578 268 H ASP 34 H ASP 34 3.050 -12.658 -8.266 269 HA ASP 34 HA ASP 34 3.648 -9.895 -8.801 270 1HB ASP 34 1HB ASP 34 3.464 -11.470 -10.602 271 2HB ASP 34 2HB ASP 34 1.822 -11.913 -10.133 272 H ILE 35 H ILE 35 2.838 -8.497 -7.332 273 HA ILE 35 HA ILE 35 -0.112 -8.089 -7.340 274 HB ILE 35 HB ILE 35 0.603 -8.942 -5.240 275 1HG1 ILE 35 1HG1 ILE 35 0.203 -6.001 -4.674 276 2HG1 ILE 35 2HG1 ILE 35 -1.096 -6.970 -5.337 277 1HG2 ILE 35 1HG2 ILE 35 2.515 -6.646 -5.090 278 2HG2 ILE 35 2HG2 ILE 35 2.105 -7.754 -3.768 279 3HG2 ILE 35 3HG2 ILE 35 2.895 -8.403 -5.203 280 1HD1 ILE 35 1HD1 ILE 35 -0.675 -8.637 -3.425 281 2HD1 ILE 35 2HD1 ILE 35 0.308 -7.380 -2.676 282 3HD1 ILE 35 3HD1 ILE 35 -1.400 -7.070 -2.996 283 H GLU 36 H GLU 36 -0.797 -5.938 -7.263 284 HA GLU 36 HA GLU 36 1.125 -3.825 -8.104 285 1HB GLU 36 1HB GLU 36 -1.833 -3.820 -8.692 286 2HB GLU 36 2HB GLU 36 -0.521 -2.885 -9.413 287 1HG GLU 36 1HG GLU 36 0.373 -5.072 -10.330 288 2HG GLU 36 2HG GLU 36 -1.079 -5.859 -9.733 289 H VAL 37 H VAL 37 1.237 -2.069 -6.756 290 HA VAL 37 HA VAL 37 -1.054 -1.298 -5.077 291 HB VAL 37 HB VAL 37 1.735 -1.823 -3.996 292 1HG1 VAL 37 1HG1 VAL 37 0.711 0.130 -2.805 293 2HG1 VAL 37 2HG1 VAL 37 -0.671 -0.897 -2.377 294 3HG1 VAL 37 3HG1 VAL 37 0.934 -1.288 -1.779 295 1HG2 VAL 37 1HG2 VAL 37 -0.930 -3.231 -3.614 296 2HG2 VAL 37 2HG2 VAL 37 0.617 -3.909 -4.179 297 3HG2 VAL 37 3HG2 VAL 37 0.402 -3.440 -2.485 298 H ASP 38 H ASP 38 -1.228 0.292 -6.713 299 HA ASP 38 HA ASP 38 0.817 2.417 -6.804 300 1HB ASP 38 1HB ASP 38 -1.992 2.526 -7.990 301 2HB ASP 38 2HB ASP 38 -0.570 3.483 -8.379 302 H LEU 39 H LEU 39 0.683 4.234 -5.458 303 HA LEU 39 HA LEU 39 -1.636 4.449 -3.642 304 1HB LEU 39 1HB LEU 39 0.846 6.178 -3.871 305 2HB LEU 39 2HB LEU 39 -0.524 6.448 -2.788 306 HG LEU 39 HG LEU 39 0.065 3.793 -2.274 307 1HD1 LEU 39 1HD1 LEU 39 2.712 5.237 -2.694 308 2HD1 LEU 39 2HD1 LEU 39 2.497 3.644 -1.943 309 3HD1 LEU 39 3HD1 LEU 39 2.109 3.870 -3.656 310 1HD2 LEU 39 1HD2 LEU 39 0.959 6.367 -0.951 311 2HD2 LEU 39 2HD2 LEU 39 -0.430 5.354 -0.548 312 3HD2 LEU 39 3HD2 LEU 39 1.219 4.785 -0.200 313 H LEU 40 H LEU 40 -3.205 5.947 -3.811 314 HA LEU 40 HA LEU 40 -3.437 7.453 -6.375 315 1HB LEU 40 1HB LEU 40 -4.285 4.956 -6.258 316 2HB LEU 40 2HB LEU 40 -5.576 5.624 -5.279 317 HG LEU 40 HG LEU 40 -6.275 5.341 -7.551 318 1HD1 LEU 40 1HD1 LEU 40 -5.911 8.332 -7.109 319 2HD1 LEU 40 2HD1 LEU 40 -7.147 7.527 -8.087 320 3HD1 LEU 40 3HD1 LEU 40 -7.153 7.328 -6.325 321 1HD2 LEU 40 1HD2 LEU 40 -3.927 5.537 -8.519 322 2HD2 LEU 40 2HD2 LEU 40 -5.234 6.274 -9.467 323 3HD2 LEU 40 3HD2 LEU 40 -4.167 7.298 -8.498 324 H LYS 41 H LYS 41 -3.939 9.617 -5.731 325 HA LYS 41 HA LYS 41 -5.063 10.050 -3.139 326 1HB LYS 41 1HB LYS 41 -4.518 11.931 -5.419 327 2HB LYS 41 2HB LYS 41 -4.695 12.342 -3.680 328 1HG LYS 41 1HG LYS 41 -2.691 11.346 -3.100 329 2HG LYS 41 2HG LYS 41 -2.516 10.414 -4.588 330 1HD LYS 41 1HD LYS 41 -1.042 12.298 -4.511 331 2HD LYS 41 2HD LYS 41 -2.063 12.292 -5.926 332 1HE LYS 41 1HE LYS 41 -3.571 13.932 -5.024 333 2HE LYS 41 2HE LYS 41 -2.785 13.844 -3.428 334 1HZ LYS 41 1HZ LYS 41 -1.640 14.923 -5.913 335 2HZ LYS 41 2HZ LYS 41 -2.209 15.787 -4.629 336 3HZ LYS 41 3HZ LYS 41 -0.855 14.852 -4.449 337 H ASN 42 H ASN 42 -6.457 12.437 -4.610 338 HA ASN 42 HA ASN 42 -9.200 11.541 -4.628 339 1HB ASN 42 1HB ASN 42 -9.631 13.742 -5.627 340 2HB ASN 42 2HB ASN 42 -8.524 13.919 -4.261 341 1HD2 ASN 42 2HD2 ASN 42 -6.300 14.532 -4.668 342 2HD2 ASN 42 1HD2 ASN 42 -5.783 15.088 -6.242 343 H GLY 43 H GLY 43 -6.563 11.345 -6.900 344 1HA GLY 43 1HA GLY 43 -8.012 9.746 -8.776 345 2HA GLY 43 2HA GLY 43 -7.887 11.419 -9.362 346 H GLU 44 H GLU 44 -5.374 12.148 -8.313 347 HA GLU 44 HA GLU 44 -3.693 11.402 -10.405 348 1HB GLU 44 1HB GLU 44 -3.212 12.593 -7.664 349 2HB GLU 44 2HB GLU 44 -1.992 12.552 -8.949 350 1HG GLU 44 1HG GLU 44 -3.449 13.982 -10.348 351 2HG GLU 44 2HG GLU 44 -4.676 14.004 -9.069 352 H ARG 45 H ARG 45 -2.334 9.705 -10.691 353 HA ARG 45 HA ARG 45 -1.966 7.715 -8.551 354 1HB ARG 45 1HB ARG 45 -2.541 6.978 -10.841 355 2HB ARG 45 2HB ARG 45 -1.020 7.668 -11.445 356 1HG ARG 45 1HG ARG 45 0.257 6.147 -9.910 357 2HG ARG 45 2HG ARG 45 -1.280 5.548 -9.266 358 1HD ARG 45 1HD ARG 45 -0.485 3.933 -10.781 359 2HD ARG 45 2HD ARG 45 -1.845 4.728 -11.596 360 HE ARG 45 HE ARG 45 0.445 6.114 -12.415 361 1HH1 ARG 45 1HH2 ARG 45 -0.591 2.712 -12.517 362 2HH1 ARG 45 2HH2 ARG 45 0.243 2.377 -14.012 363 1HH2 ARG 45 1HH1 ARG 45 1.576 5.640 -14.330 364 2HH2 ARG 45 2HH1 ARG 45 1.500 4.043 -15.043 365 H ILE 46 H ILE 46 -0.178 7.572 -7.305 366 HA ILE 46 HA ILE 46 2.092 9.363 -7.724 367 HB ILE 46 HB ILE 46 1.073 7.510 -5.566 368 1HG1 ILE 46 1HG1 ILE 46 1.400 10.510 -5.336 369 2HG1 ILE 46 2HG1 ILE 46 -0.047 9.862 -6.109 370 1HG2 ILE 46 1HG2 ILE 46 3.522 9.279 -5.694 371 2HG2 ILE 46 2HG2 ILE 46 2.854 8.585 -4.188 372 3HG2 ILE 46 3HG2 ILE 46 3.475 7.510 -5.453 373 1HD1 ILE 46 1HD1 ILE 46 -0.580 8.510 -4.123 374 2HD1 ILE 46 2HD1 ILE 46 0.848 9.170 -3.286 375 3HD1 ILE 46 3HD1 ILE 46 -0.473 10.231 -3.792 376 H GLU 47 H GLU 47 3.452 8.496 -9.227 377 HA GLU 47 HA GLU 47 4.002 5.595 -9.331 378 1HB GLU 47 1HB GLU 47 4.913 7.925 -11.053 379 2HB GLU 47 2HB GLU 47 5.344 6.220 -11.310 380 1HG GLU 47 1HG GLU 47 2.975 5.607 -11.550 381 2HG GLU 47 2HG GLU 47 2.470 7.273 -11.228 382 H LYS 48 H LYS 48 5.335 8.475 -7.859 383 HA LYS 48 HA LYS 48 8.010 7.400 -7.470 384 1HB LYS 48 1HB LYS 48 7.536 9.821 -7.588 385 2HB LYS 48 2HB LYS 48 6.566 9.710 -6.111 386 1HG LYS 48 1HG LYS 48 8.575 8.954 -4.853 387 2HG LYS 48 2HG LYS 48 9.522 8.981 -6.355 388 1HD LYS 48 1HD LYS 48 9.217 11.420 -6.525 389 2HD LYS 48 2HD LYS 48 8.109 11.400 -5.146 390 1HE LYS 48 1HE LYS 48 10.287 12.177 -4.399 391 2HE LYS 48 2HE LYS 48 9.938 10.604 -3.663 392 1HZ LYS 48 1HZ LYS 48 11.655 11.057 -6.002 393 2HZ LYS 48 2HZ LYS 48 12.167 10.730 -4.470 394 3HZ LYS 48 3HZ LYS 48 11.333 9.593 -5.316 395 H VAL 49 H VAL 49 7.186 5.278 -6.767 396 HA VAL 49 HA VAL 49 6.399 5.173 -3.891 397 HB VAL 49 HB VAL 49 6.399 2.942 -5.953 398 1HG1 VAL 49 1HG1 VAL 49 6.591 2.235 -3.553 399 2HG1 VAL 49 2HG1 VAL 49 5.138 3.184 -3.181 400 3HG1 VAL 49 3HG1 VAL 49 5.035 1.785 -4.270 401 1HG2 VAL 49 1HG2 VAL 49 4.131 4.729 -4.966 402 2HG2 VAL 49 2HG2 VAL 49 4.716 4.575 -6.635 403 3HG2 VAL 49 3HG2 VAL 49 3.904 3.212 -5.860 404 H GLU 50 H GLU 50 8.123 5.137 -2.613 405 HA GLU 50 HA GLU 50 10.805 4.354 -3.473 406 1HB GLU 50 1HB GLU 50 10.172 6.393 -2.086 407 2HB GLU 50 2HB GLU 50 9.796 5.279 -0.762 408 1HG GLU 50 1HG GLU 50 12.122 4.496 -0.728 409 2HG GLU 50 2HG GLU 50 12.501 5.532 -2.118 410 H HIS 51 H HIS 51 9.545 2.110 -3.837 411 HA HIS 51 HA HIS 51 8.654 0.725 -1.549 412 1HB HIS 51 1HB HIS 51 8.270 -1.135 -2.988 413 2HB HIS 51 2HB HIS 51 7.958 0.306 -3.954 414 HD2 HIS 51 HD2 HIS 51 9.733 0.697 -6.119 415 HE1 HIS 51 HE1 HIS 51 11.910 -2.883 -5.516 416 HE2 HIS 51 HE2 HIS 51 11.552 -0.909 -7.097 417 H SER 52 H SER 52 9.393 -1.218 -0.606 418 HA SER 52 HA SER 52 12.330 -1.659 -0.533 419 1HB SER 52 1HB SER 52 11.212 -1.504 1.652 420 2HB SER 52 2HB SER 52 10.071 -2.782 1.178 421 HG SER 52 HG SER 52 12.895 -3.052 1.333 422 H ASP 53 H ASP 53 13.162 -3.544 -1.429 423 HA ASP 53 HA ASP 53 11.738 -4.873 -3.480 424 1HB ASP 53 1HB ASP 53 14.268 -5.708 -2.002 425 2HB ASP 53 2HB ASP 53 13.725 -6.348 -3.559 426 H LEU 54 H LEU 54 11.471 -7.283 -3.626 427 HA LEU 54 HA LEU 54 9.589 -8.101 -1.718 428 1HB LEU 54 1HB LEU 54 9.877 -8.834 -4.168 429 2HB LEU 54 2HB LEU 54 11.059 -9.995 -3.573 430 HG LEU 54 HG LEU 54 9.039 -11.164 -3.794 431 1HD1 LEU 54 1HD1 LEU 54 10.149 -11.594 -1.590 432 2HD1 LEU 54 2HD1 LEU 54 8.904 -10.542 -0.855 433 3HD1 LEU 54 3HD1 LEU 54 8.433 -12.001 -1.690 434 1HD2 LEU 54 1HD2 LEU 54 7.615 -8.849 -2.447 435 2HD2 LEU 54 2HD2 LEU 54 7.434 -9.435 -4.112 436 3HD2 LEU 54 3HD2 LEU 54 6.867 -10.405 -2.747 437 H SER 55 H SER 55 9.853 -8.806 0.250 438 HA SER 55 HA SER 55 12.064 -10.647 0.992 439 1HB SER 55 1HB SER 55 12.550 -8.412 1.991 440 2HB SER 55 2HB SER 55 10.935 -8.392 2.722 441 HG SER 55 HG SER 55 13.001 -10.280 3.202 442 H PHE 56 H PHE 56 10.944 -12.545 1.241 443 HA PHE 56 HA PHE 56 8.056 -12.399 1.753 444 1HB PHE 56 1HB PHE 56 7.923 -14.597 0.880 445 2HB PHE 56 2HB PHE 56 8.887 -13.616 -0.213 446 HD1 PHE 56 HD1 PHE 56 11.447 -13.899 -0.160 447 HD2 PHE 56 HD2 PHE 56 8.664 -16.675 1.587 448 HE1 PHE 56 HE1 PHE 56 13.285 -15.555 0.132 449 HE2 PHE 56 HE2 PHE 56 10.481 -18.361 1.811 450 HZ PHE 56 HZ PHE 56 12.797 -17.790 1.106 451 H SER 57 H SER 57 10.763 -12.948 3.633 452 HA SER 57 HA SER 57 11.320 -13.861 5.495 453 1HB SER 57 1HB SER 57 9.900 -14.318 7.337 454 2HB SER 57 2HB SER 57 9.426 -12.807 6.595 455 HG SER 57 HG SER 57 7.781 -14.152 5.486 456 H LYS 58 H LYS 58 11.849 -15.960 6.371 457 HA LYS 58 HA LYS 58 11.352 -18.271 4.721 458 1HB LYS 58 1HB LYS 58 12.443 -17.960 7.546 459 2HB LYS 58 2HB LYS 58 12.412 -19.491 6.646 460 1HG LYS 58 1HG LYS 58 13.797 -18.526 4.861 461 2HG LYS 58 2HG LYS 58 13.838 -16.962 5.697 462 1HD LYS 58 1HD LYS 58 14.962 -18.007 7.636 463 2HD LYS 58 2HD LYS 58 14.916 -19.584 6.822 464 1HE LYS 58 1HE LYS 58 16.323 -18.708 4.993 465 2HE LYS 58 2HE LYS 58 16.331 -17.099 5.746 466 1HZ LYS 58 1HZ LYS 58 17.458 -18.043 7.621 467 2HZ LYS 58 2HZ LYS 58 17.444 -19.542 6.934 468 3HZ LYS 58 3HZ LYS 58 18.308 -18.324 6.239 469 H ASP 59 H ASP 59 9.292 -16.712 6.959 470 HA ASP 59 HA ASP 59 7.847 -19.121 7.643 471 1HB ASP 59 1HB ASP 59 7.074 -16.204 8.055 472 2HB ASP 59 2HB ASP 59 6.394 -17.607 8.886 473 H TRP 60 H TRP 60 8.089 -17.813 4.701 474 HA TRP 60 HA TRP 60 6.835 -17.844 2.829 475 1HB TRP 60 1HB TRP 60 5.072 -19.765 4.402 476 2HB TRP 60 2HB TRP 60 5.096 -19.551 2.659 477 HD1 TRP 60 HD1 TRP 60 7.268 -20.942 5.489 478 HE1 TRP 60 HE1 TRP 60 8.873 -22.717 4.514 479 HE3 TRP 60 HE3 TRP 60 6.237 -20.342 0.511 480 HZ2 TRP 60 HZ2 TRP 60 9.569 -23.754 1.944 481 HZ3 TRP 60 HZ3 TRP 60 7.364 -21.763 -1.174 482 HH2 TRP 60 HH2 TRP 60 9.020 -23.476 -0.471 483 H SER 61 H SER 61 6.396 -15.527 4.009 484 HA SER 61 HA SER 61 3.427 -15.143 4.177 485 1HB SER 61 1HB SER 61 4.791 -15.067 6.332 486 2HB SER 61 2HB SER 61 5.565 -13.608 5.688 487 HG SER 61 HG SER 61 2.798 -14.034 6.173 488 H PHE 62 H PHE 62 5.057 -14.911 1.756 489 HA PHE 62 HA PHE 62 6.331 -13.071 0.705 490 1HB PHE 62 1HB PHE 62 4.105 -14.513 -0.298 491 2HB PHE 62 2HB PHE 62 3.953 -12.852 -0.865 492 HD1 PHE 62 HD1 PHE 62 5.251 -12.016 -2.682 493 HD2 PHE 62 HD2 PHE 62 6.383 -15.692 -0.713 494 HE1 PHE 62 HE1 PHE 62 7.061 -12.346 -4.297 495 HE2 PHE 62 HE2 PHE 62 8.159 -16.042 -2.384 496 HZ PHE 62 HZ PHE 62 8.505 -14.366 -4.194 497 H TYR 63 H TYR 63 6.745 -10.871 0.813 498 HA TYR 63 HA TYR 63 4.483 -8.994 0.886 499 1HB TYR 63 1HB TYR 63 5.152 -7.951 3.028 500 2HB TYR 63 2HB TYR 63 4.671 -9.638 3.197 501 HD1 TYR 63 HD1 TYR 63 6.255 -11.450 3.649 502 HD2 TYR 63 HD2 TYR 63 7.280 -7.286 3.779 503 HE1 TYR 63 HE1 TYR 63 7.921 -11.949 5.322 504 HE2 TYR 63 HE2 TYR 63 9.201 -7.814 5.244 505 HH TYR 63 HH TYR 63 10.356 -9.477 6.376 506 H LEU 64 H LEU 64 5.303 -6.789 1.306 507 HA LEU 64 HA LEU 64 7.932 -5.947 0.870 508 1HB LEU 64 1HB LEU 64 7.912 -5.049 -1.362 509 2HB LEU 64 2HB LEU 64 7.733 -6.784 -1.437 510 HG LEU 64 HG LEU 64 5.618 -4.679 -1.903 511 1HD1 LEU 64 1HD1 LEU 64 6.704 -6.828 -3.781 512 2HD1 LEU 64 2HD1 LEU 64 5.490 -5.617 -4.185 513 3HD1 LEU 64 3HD1 LEU 64 7.146 -5.101 -3.839 514 1HD2 LEU 64 1HD2 LEU 64 5.359 -7.707 -1.786 515 2HD2 LEU 64 2HD2 LEU 64 4.387 -6.475 -0.921 516 3HD2 LEU 64 3HD2 LEU 64 4.212 -6.707 -2.667 517 H LEU 65 H LEU 65 8.025 -3.606 0.945 518 HA LEU 65 HA LEU 65 5.539 -2.388 1.998 519 1HB LEU 65 1HB LEU 65 8.056 -2.691 3.078 520 2HB LEU 65 2HB LEU 65 8.215 -1.099 2.348 521 HG LEU 65 HG LEU 65 5.962 -1.954 4.202 522 1HD1 LEU 65 1HD1 LEU 65 8.555 -0.469 4.794 523 2HD1 LEU 65 2HD1 LEU 65 7.211 -0.659 5.943 524 3HD1 LEU 65 3HD1 LEU 65 8.106 -2.090 5.376 525 1HD2 LEU 65 1HD2 LEU 65 5.599 0.114 2.714 526 2HD2 LEU 65 2HD2 LEU 65 5.429 0.326 4.461 527 3HD2 LEU 65 3HD2 LEU 65 6.907 0.871 3.648 528 H TYR 66 H TYR 66 4.692 -0.618 0.912 529 HA TYR 66 HA TYR 66 6.152 0.371 -1.493 530 1HB TYR 66 1HB TYR 66 3.167 0.022 -1.628 531 2HB TYR 66 2HB TYR 66 4.366 -0.061 -2.893 532 HD1 TYR 66 HD1 TYR 66 3.287 -1.969 0.221 533 HD2 TYR 66 HD2 TYR 66 4.537 -2.225 -3.914 534 HE1 TYR 66 HE1 TYR 66 2.572 -4.293 0.134 535 HE2 TYR 66 HE2 TYR 66 3.422 -4.427 -4.066 536 HH TYR 66 HH TYR 66 1.955 -5.881 -3.017 537 H TYR 67 H TYR 67 6.738 2.194 -0.438 538 HA TYR 67 HA TYR 67 4.610 3.882 0.766 539 1HB TYR 67 1HB TYR 67 6.341 4.593 2.268 540 2HB TYR 67 2HB TYR 67 5.811 2.928 2.343 541 HD1 TYR 67 HD1 TYR 67 7.368 1.105 1.261 542 HD2 TYR 67 HD2 TYR 67 8.610 5.138 2.068 543 HE1 TYR 67 HE1 TYR 67 9.687 0.327 1.518 544 HE2 TYR 67 HE2 TYR 67 10.931 4.353 2.433 545 HH TYR 67 HH TYR 67 11.866 0.913 2.036 546 H THR 68 H THR 68 4.683 5.983 0.577 547 HA THR 68 HA THR 68 6.595 7.307 -1.353 548 HB THR 68 HB THR 68 4.482 6.703 -2.353 549 HG1 THR 68 HG1 THR 68 5.600 8.452 -3.148 550 1HG2 THR 68 1HG2 THR 68 3.250 8.805 -0.502 551 2HG2 THR 68 2HG2 THR 68 2.445 7.919 -1.805 552 3HG2 THR 68 3HG2 THR 68 3.000 7.052 -0.353 553 H GLU 69 H GLU 69 6.633 9.717 -1.175 554 HA GLU 69 HA GLU 69 6.518 10.665 1.619 555 1HB GLU 69 1HB GLU 69 7.657 12.722 0.351 556 2HB GLU 69 2HB GLU 69 8.524 11.343 0.996 557 1HG GLU 69 1HG GLU 69 9.361 11.930 -1.193 558 2HG GLU 69 2HG GLU 69 8.718 10.293 -1.175 559 H PHE 70 H PHE 70 4.163 10.648 1.645 560 HA PHE 70 HA PHE 70 2.699 12.110 -0.332 561 1HB PHE 70 1HB PHE 70 0.777 11.467 0.712 562 2HB PHE 70 2HB PHE 70 1.856 10.131 1.082 563 HD1 PHE 70 HD1 PHE 70 3.114 10.535 3.411 564 HD2 PHE 70 HD2 PHE 70 -0.586 12.418 2.342 565 HE1 PHE 70 HE1 PHE 70 2.490 10.686 5.843 566 HE2 PHE 70 HE2 PHE 70 -0.940 13.010 4.725 567 HZ PHE 70 HZ PHE 70 0.517 12.021 6.485 568 H THR 71 H THR 71 2.036 14.120 -0.374 569 HA THR 71 HA THR 71 2.313 15.935 1.972 570 HB THR 71 HB THR 71 2.016 16.716 -0.902 571 HG1 THR 71 HG1 THR 71 4.296 16.092 0.620 572 1HG2 THR 71 1HG2 THR 71 3.065 18.173 1.567 573 2HG2 THR 71 2HG2 THR 71 2.906 18.838 -0.068 574 3HG2 THR 71 3HG2 THR 71 1.459 18.423 0.868 575 HA PRO 72 HA PRO 72 -2.288 15.469 1.502 576 1HB PRO 72 1HB PRO 72 -3.077 16.044 4.020 577 2HB PRO 72 2HB PRO 72 -2.277 14.509 3.599 578 1HG PRO 72 1HG PRO 72 -1.014 16.983 4.793 579 2HG PRO 72 2HG PRO 72 -0.818 15.308 5.353 580 1HD PRO 72 1HD PRO 72 0.958 16.607 3.705 581 2HD PRO 72 2HD PRO 72 0.708 14.844 3.610 582 H THR 73 H THR 73 -1.938 17.335 0.013 583 HA THR 73 HA THR 73 -2.010 20.044 1.028 584 HB THR 73 HB THR 73 -2.483 20.635 -1.328 585 HG1 THR 73 HG1 THR 73 -3.535 18.707 -1.948 586 1HG2 THR 73 1HG2 THR 73 -0.139 18.721 -0.932 587 2HG2 THR 73 2HG2 THR 73 -0.277 19.967 -2.186 588 3HG2 THR 73 3HG2 THR 73 -0.155 20.444 -0.482 589 H GLU 74 H GLU 74 -3.659 20.191 2.422 590 HA GLU 74 HA GLU 74 -5.701 20.432 3.295 591 1HB GLU 74 1HB GLU 74 -6.381 21.440 0.498 592 2HB GLU 74 2HB GLU 74 -7.367 21.621 1.965 593 1HG GLU 74 1HG GLU 74 -5.521 22.898 3.027 594 2HG GLU 74 2HG GLU 74 -4.613 22.794 1.506 595 H LYS 75 H LYS 75 -7.231 19.672 0.205 596 HA LYS 75 HA LYS 75 -8.919 17.699 1.574 597 1HB LYS 75 1HB LYS 75 -9.030 19.173 -1.077 598 2HB LYS 75 2HB LYS 75 -10.117 17.835 -0.706 599 1HG LYS 75 1HG LYS 75 -11.189 19.966 -0.277 600 2HG LYS 75 2HG LYS 75 -11.068 18.994 1.197 601 1HD LYS 75 1HD LYS 75 -9.256 20.341 2.032 602 2HD LYS 75 2HD LYS 75 -9.098 21.195 0.466 603 1HE LYS 75 1HE LYS 75 -11.315 22.218 0.823 604 2HE LYS 75 2HE LYS 75 -11.475 21.350 2.364 605 1HZ LYS 75 1HZ LYS 75 -9.350 23.309 1.748 606 2HZ LYS 75 2HZ LYS 75 -10.700 23.603 2.650 607 3HZ LYS 75 3HZ LYS 75 -9.571 22.525 3.170 608 H ASP 76 H ASP 76 -6.058 17.587 -0.365 609 HA ASP 76 HA ASP 76 -6.606 15.290 -1.953 610 1HB ASP 76 1HB ASP 76 -4.034 16.493 -0.897 611 2HB ASP 76 2HB ASP 76 -4.080 15.030 -1.885 612 H GLU 77 H GLU 77 -7.468 13.552 -1.038 613 HA GLU 77 HA GLU 77 -6.431 12.423 1.500 614 1HB GLU 77 1HB GLU 77 -8.819 12.968 1.308 615 2HB GLU 77 2HB GLU 77 -8.966 11.914 -0.108 616 1HG GLU 77 1HG GLU 77 -8.399 9.949 1.274 617 2HG GLU 77 2HG GLU 77 -8.104 10.997 2.672 618 H TYR 78 H TYR 78 -5.031 10.769 1.335 619 HA TYR 78 HA TYR 78 -4.520 9.526 -1.263 620 1HB TYR 78 1HB TYR 78 -3.007 9.582 1.335 621 2HB TYR 78 2HB TYR 78 -2.576 8.546 -0.015 622 HD1 TYR 78 HD1 TYR 78 -3.489 12.216 0.434 623 HD2 TYR 78 HD2 TYR 78 -0.688 9.322 -1.118 624 HE1 TYR 78 HE1 TYR 78 -2.266 14.012 -0.709 625 HE2 TYR 78 HE2 TYR 78 0.661 11.159 -2.058 626 HH TYR 78 HH TYR 78 0.798 13.412 -2.488 627 H ALA 79 H ALA 79 -4.229 7.278 -1.534 628 HA ALA 79 HA ALA 79 -5.386 5.410 0.413 629 1HB ALA 79 1HB ALA 79 -7.328 6.178 -0.969 630 2HB ALA 79 2HB ALA 79 -6.458 5.660 -2.431 631 3HB ALA 79 3HB ALA 79 -6.943 4.464 -1.222 632 H CYS 80 H CYS 80 -5.110 3.187 -0.337 633 HA CYS 80 HA CYS 80 -2.633 2.747 -1.967 634 1HB CYS 80 1HB CYS 80 -3.772 1.241 0.428 635 2HB CYS 80 2HB CYS 80 -2.399 0.701 -0.538 636 H ARG 81 H ARG 81 -3.280 1.883 -3.950 637 HA ARG 81 HA ARG 81 -5.653 0.267 -4.320 638 1HB ARG 81 1HB ARG 81 -4.422 1.416 -6.177 639 2HB ARG 81 2HB ARG 81 -3.046 0.351 -5.857 640 1HG ARG 81 1HG ARG 81 -4.572 -1.632 -6.366 641 2HG ARG 81 2HG ARG 81 -5.778 -0.452 -6.910 642 1HD ARG 81 1HD ARG 81 -4.124 0.411 -8.574 643 2HD ARG 81 2HD ARG 81 -2.951 -0.778 -7.958 644 HE ARG 81 HE ARG 81 -5.466 -1.953 -8.832 645 1HH1 ARG 81 1HH2 ARG 81 -2.290 -0.834 -10.010 646 2HH1 ARG 81 2HH2 ARG 81 -2.164 -2.108 -11.202 647 1HH2 ARG 81 1HH1 ARG 81 -5.296 -3.564 -10.459 648 2HH2 ARG 81 2HH1 ARG 81 -3.841 -3.682 -11.419 649 H VAL 82 H VAL 82 -5.784 -2.057 -3.879 650 HA VAL 82 HA VAL 82 -3.206 -3.499 -3.529 651 HB VAL 82 HB VAL 82 -5.713 -3.867 -1.840 652 1HG1 VAL 82 1HG1 VAL 82 -4.540 -5.981 -2.354 653 2HG1 VAL 82 2HG1 VAL 82 -3.006 -5.259 -1.819 654 3HG1 VAL 82 3HG1 VAL 82 -4.328 -5.527 -0.657 655 1HG2 VAL 82 1HG2 VAL 82 -4.464 -1.875 -1.096 656 2HG2 VAL 82 2HG2 VAL 82 -4.227 -3.199 0.045 657 3HG2 VAL 82 3HG2 VAL 82 -2.945 -2.799 -1.113 658 H ASN 83 H ASN 83 -3.075 -4.657 -5.343 659 HA ASN 83 HA ASN 83 -5.425 -6.281 -6.187 660 1HB ASN 83 1HB ASN 83 -5.379 -4.144 -7.459 661 2HB ASN 83 2HB ASN 83 -3.780 -4.547 -8.057 662 1HD2 ASN 83 2HD2 ASN 83 -3.544 -6.306 -9.582 663 2HD2 ASN 83 1HD2 ASN 83 -4.928 -6.942 -10.445 664 H HIS 84 H HIS 84 -4.227 -7.945 -5.116 665 HA HIS 84 HA HIS 84 -1.661 -8.966 -6.064 666 1HB HIS 84 1HB HIS 84 -2.772 -9.362 -3.812 667 2HB HIS 84 2HB HIS 84 -3.998 -10.297 -4.662 668 HD2 HIS 84 HD2 HIS 84 -0.147 -10.835 -5.412 669 HE1 HIS 84 HE1 HIS 84 -1.800 -14.258 -3.526 670 HE2 HIS 84 HE2 HIS 84 0.253 -13.344 -4.779 671 H VAL 85 H VAL 85 -1.564 -10.871 -7.587 672 HA VAL 85 HA VAL 85 -3.642 -10.934 -9.612 673 HB VAL 85 HB VAL 85 -1.206 -11.136 -10.031 674 1HG1 VAL 85 1HG1 VAL 85 -0.894 -12.924 -8.141 675 2HG1 VAL 85 2HG1 VAL 85 -1.362 -14.097 -9.391 676 3HG1 VAL 85 3HG1 VAL 85 0.032 -13.079 -9.649 677 1HG2 VAL 85 1HG2 VAL 85 -2.850 -11.693 -11.749 678 2HG2 VAL 85 2HG2 VAL 85 -1.419 -12.730 -11.865 679 3HG2 VAL 85 3HG2 VAL 85 -2.922 -13.372 -11.175 680 H THR 86 H THR 86 -5.201 -11.434 -7.729 681 HA THR 86 HA THR 86 -5.969 -14.193 -7.524 682 HB THR 86 HB THR 86 -3.970 -13.033 -5.731 683 HG1 THR 86 HG1 THR 86 -3.718 -14.891 -7.035 684 1HG2 THR 86 1HG2 THR 86 -6.280 -14.567 -4.522 685 2HG2 THR 86 2HG2 THR 86 -4.681 -14.415 -3.756 686 3HG2 THR 86 3HG2 THR 86 -5.662 -12.968 -4.035 687 H LEU 87 H LEU 87 -5.880 -10.890 -6.081 688 HA LEU 87 HA LEU 87 -8.589 -10.859 -5.079 689 1HB LEU 87 1HB LEU 87 -6.436 -8.859 -5.721 690 2HB LEU 87 2HB LEU 87 -8.093 -8.294 -5.826 691 HG LEU 87 HG LEU 87 -8.592 -8.921 -3.550 692 1HD1 LEU 87 1HD1 LEU 87 -5.683 -9.796 -3.345 693 2HD1 LEU 87 2HD1 LEU 87 -6.832 -9.646 -2.003 694 3HD1 LEU 87 3HD1 LEU 87 -7.089 -10.877 -3.250 695 1HD2 LEU 87 1HD2 LEU 87 -7.667 -6.695 -4.021 696 2HD2 LEU 87 2HD2 LEU 87 -7.105 -7.261 -2.439 697 3HD2 LEU 87 3HD2 LEU 87 -6.014 -7.320 -3.837 698 H SER 88 H SER 88 -10.431 -10.792 -6.201 699 HA SER 88 HA SER 88 -10.454 -10.878 -9.090 700 1HB SER 88 1HB SER 88 -12.015 -12.149 -7.609 701 2HB SER 88 2HB SER 88 -12.770 -10.612 -7.133 702 HG SER 88 HG SER 88 -13.082 -10.302 -9.470 703 H GLN 89 H GLN 89 -10.286 -8.227 -6.889 704 HA GLN 89 HA GLN 89 -10.912 -6.348 -9.007 705 1HB GLN 89 1HB GLN 89 -12.452 -5.063 -7.529 706 2HB GLN 89 2HB GLN 89 -13.116 -6.606 -8.086 707 1HG GLN 89 1HG GLN 89 -12.581 -7.627 -5.886 708 2HG GLN 89 2HG GLN 89 -11.871 -6.096 -5.345 709 1HE2 GLN 89 2HE2 GLN 89 -14.948 -7.409 -6.719 710 2HE2 GLN 89 1HE2 GLN 89 -15.991 -6.389 -5.750 711 HA PRO 90 HA PRO 90 -7.563 -4.402 -6.775 712 1HB PRO 90 1HB PRO 90 -7.646 -1.846 -7.730 713 2HB PRO 90 2HB PRO 90 -7.183 -3.233 -8.752 714 1HG PRO 90 1HG PRO 90 -9.906 -1.932 -8.584 715 2HG PRO 90 2HG PRO 90 -8.963 -2.329 -10.048 716 1HD PRO 90 1HD PRO 90 -10.913 -3.977 -9.090 717 2HD PRO 90 2HD PRO 90 -9.421 -4.639 -9.822 718 H LYS 91 H LYS 91 -8.041 -4.384 -4.635 719 HA LYS 91 HA LYS 91 -10.323 -2.969 -3.505 720 1HB LYS 91 1HB LYS 91 -9.543 -5.166 -2.713 721 2HB LYS 91 2HB LYS 91 -8.001 -4.456 -2.214 722 1HG LYS 91 1HG LYS 91 -9.349 -2.881 -0.703 723 2HG LYS 91 2HG LYS 91 -10.775 -3.850 -1.095 724 1HD LYS 91 1HD LYS 91 -8.199 -4.848 0.220 725 2HD LYS 91 2HD LYS 91 -9.720 -4.486 1.053 726 1HE LYS 91 1HE LYS 91 -10.854 -6.261 -0.327 727 2HE LYS 91 2HE LYS 91 -9.274 -6.690 -1.015 728 1HZ LYS 91 1HZ LYS 91 -8.512 -7.197 1.179 729 2HZ LYS 91 2HZ LYS 91 -9.976 -6.800 1.827 730 3HZ LYS 91 3HZ LYS 91 -9.848 -8.087 0.806 731 H ILE 92 H ILE 92 -10.091 -0.730 -3.656 732 HA ILE 92 HA ILE 92 -7.507 0.508 -3.185 733 HB ILE 92 HB ILE 92 -10.140 1.950 -3.533 734 1HG1 ILE 92 1HG1 ILE 92 -10.098 0.455 -5.415 735 2HG1 ILE 92 2HG1 ILE 92 -9.686 2.082 -5.930 736 1HG2 ILE 92 1HG2 ILE 92 -8.244 3.284 -2.800 737 2HG2 ILE 92 2HG2 ILE 92 -7.203 2.610 -4.064 738 3HG2 ILE 92 3HG2 ILE 92 -8.574 3.651 -4.506 739 1HD1 ILE 92 1HD1 ILE 92 -7.277 1.461 -6.012 740 2HD1 ILE 92 2HD1 ILE 92 -7.705 -0.193 -5.507 741 3HD1 ILE 92 3HD1 ILE 92 -8.281 0.446 -7.055 742 H VAL 93 H VAL 93 -7.006 -0.072 -1.063 743 HA VAL 93 HA VAL 93 -8.772 0.398 1.183 744 HB VAL 93 HB VAL 93 -5.775 -0.145 1.070 745 1HG1 VAL 93 1HG1 VAL 93 -7.762 -0.337 3.383 746 2HG1 VAL 93 2HG1 VAL 93 -6.067 -0.863 3.427 747 3HG1 VAL 93 3HG1 VAL 93 -6.451 0.852 3.242 748 1HG2 VAL 93 1HG2 VAL 93 -8.126 -2.038 1.507 749 2HG2 VAL 93 2HG2 VAL 93 -7.079 -1.993 0.070 750 3HG2 VAL 93 3HG2 VAL 93 -6.404 -2.456 1.630 751 H LYS 94 H LYS 94 -9.379 2.502 1.461 752 HA LYS 94 HA LYS 94 -7.710 4.767 0.959 753 1HB LYS 94 1HB LYS 94 -10.162 4.791 0.906 754 2HB LYS 94 2HB LYS 94 -10.221 4.505 2.653 755 1HG LYS 94 1HG LYS 94 -9.153 6.608 3.133 756 2HG LYS 94 2HG LYS 94 -8.817 6.933 1.428 757 1HD LYS 94 1HD LYS 94 -11.685 6.522 2.348 758 2HD LYS 94 2HD LYS 94 -10.856 8.032 2.718 759 1HE LYS 94 1HE LYS 94 -12.098 8.346 0.691 760 2HE LYS 94 2HE LYS 94 -10.368 8.409 0.319 761 1HZ LYS 94 1HZ LYS 94 -12.090 6.073 -0.092 762 2HZ LYS 94 2HZ LYS 94 -11.640 7.146 -1.261 763 3HZ LYS 94 3HZ LYS 94 -10.502 6.214 -0.522 764 H TRP 95 H TRP 95 -6.431 5.960 2.270 765 HA TRP 95 HA TRP 95 -5.698 4.890 4.940 766 1HB TRP 95 1HB TRP 95 -3.847 5.421 3.463 767 2HB TRP 95 2HB TRP 95 -4.524 6.999 3.116 768 HD1 TRP 95 HD1 TRP 95 -3.450 5.169 6.368 769 HE1 TRP 95 HE1 TRP 95 -2.104 6.828 7.816 770 HE3 TRP 95 HE3 TRP 95 -3.626 9.229 3.309 771 HZ2 TRP 95 HZ2 TRP 95 -1.572 9.702 7.802 772 HZ3 TRP 95 HZ3 TRP 95 -2.752 11.423 4.051 773 HH2 TRP 95 HH2 TRP 95 -1.933 11.695 6.375 774 H ASP 96 H ASP 96 -6.925 5.627 6.575 775 HA ASP 96 HA ASP 96 -8.510 8.105 6.239 776 1HB ASP 96 1HB ASP 96 -9.539 5.841 6.743 777 2HB ASP 96 2HB ASP 96 -8.673 5.891 8.291 778 H ARG 97 H ARG 97 -5.725 8.280 6.832 779 HA ARG 97 HA ARG 97 -4.204 9.293 8.172 780 1HB ARG 97 1HB ARG 97 -5.707 11.166 7.673 781 2HB ARG 97 2HB ARG 97 -6.537 10.909 9.218 782 1HG ARG 97 1HG ARG 97 -4.425 11.292 10.439 783 2HG ARG 97 2HG ARG 97 -3.535 11.449 8.919 784 1HD ARG 97 1HD ARG 97 -5.821 13.283 9.755 785 2HD ARG 97 2HD ARG 97 -4.108 13.591 10.086 786 HE ARG 97 HE ARG 97 -4.731 13.050 7.275 787 1HH1 ARG 97 1HH2 ARG 97 -4.370 15.633 9.715 788 2HH1 ARG 97 2HH2 ARG 97 -4.132 16.873 8.502 789 1HH2 ARG 97 1HH1 ARG 97 -4.432 14.729 5.742 790 2HH2 ARG 97 2HH1 ARG 97 -4.164 16.370 6.292 791 H ASP 98 H ASP 98 -3.680 7.327 9.250 792 HA ASP 98 HA ASP 98 -4.674 6.500 11.741 793 1HB ASP 98 1HB ASP 98 -1.793 6.413 10.729 794 2HB ASP 98 2HB ASP 98 -2.537 5.380 11.947 795 H MET 99 H MET 99 -1.949 8.657 10.905 796 HA MET 99 HA MET 99 -2.686 10.552 12.953 797 1HB MET 99 1HB MET 99 -0.392 10.768 13.875 798 2HB MET 99 2HB MET 99 -1.182 9.253 14.331 799 1HG MET 99 1HG MET 99 0.112 8.024 12.669 800 2HG MET 99 2HG MET 99 0.856 9.529 12.089 801 1HE MET 99 1HE MET 99 2.521 6.962 12.781 802 2HE MET 99 2HE MET 99 3.199 8.504 12.201 803 3HE MET 99 3HE MET 99 3.886 7.712 13.640 Start of MODEL 11 1 1H MET 0 1H MET 0 -10.081 -18.452 -2.661 2 2H MET 0 2H MET 0 -8.518 -18.174 -2.215 3 3H MET 0 3H MET 0 -8.850 -18.736 -3.725 4 HA MET 0 HA MET 0 -9.305 -20.185 -1.232 5 1HB MET 0 1HB MET 0 -9.565 -21.172 -4.102 6 2HB MET 0 2HB MET 0 -9.873 -22.099 -2.626 7 1HG MET 0 1HG MET 0 -11.756 -20.553 -2.083 8 2HG MET 0 2HG MET 0 -11.467 -19.700 -3.609 9 1HE MET 0 1HE MET 0 -14.298 -20.546 -3.045 10 2HE MET 0 2HE MET 0 -13.805 -19.918 -4.636 11 3HE MET 0 3HE MET 0 -14.778 -21.402 -4.528 12 H ILE 1 H ILE 1 -7.567 -21.358 -0.532 13 HA ILE 1 HA ILE 1 -5.564 -22.270 -0.319 14 HB ILE 1 HB ILE 1 -5.515 -22.419 -3.337 15 1HG1 ILE 1 1HG1 ILE 1 -5.714 -24.841 -2.938 16 2HG1 ILE 1 2HG1 ILE 1 -5.848 -24.576 -1.198 17 1HG2 ILE 1 1HG2 ILE 1 -3.526 -23.529 -1.329 18 2HG2 ILE 1 2HG2 ILE 1 -3.597 -23.952 -3.051 19 3HG2 ILE 1 3HG2 ILE 1 -3.194 -22.306 -2.576 20 1HD1 ILE 1 1HD1 ILE 1 -7.832 -23.534 -3.269 21 2HD1 ILE 1 2HD1 ILE 1 -7.994 -25.071 -2.402 22 3HD1 ILE 1 3HD1 ILE 1 -8.046 -23.560 -1.496 23 H GLN 2 H GLN 2 -5.248 -20.040 -2.897 24 HA GLN 2 HA GLN 2 -2.746 -18.818 -2.387 25 1HB GLN 2 1HB GLN 2 -5.347 -17.715 -3.521 26 2HB GLN 2 2HB GLN 2 -3.833 -16.807 -3.553 27 1HG GLN 2 1HG GLN 2 -4.037 -19.568 -4.842 28 2HG GLN 2 2HG GLN 2 -4.547 -18.096 -5.663 29 1HE2 GLN 2 2HE2 GLN 2 -3.045 -17.142 -6.916 30 2HE2 GLN 2 1HE2 GLN 2 -1.313 -17.251 -6.688 31 H ARG 3 H ARG 3 -2.043 -17.429 -0.798 32 HA ARG 3 HA ARG 3 -3.903 -16.777 1.350 33 1HB ARG 3 1HB ARG 3 -0.951 -16.247 1.025 34 2HB ARG 3 2HB ARG 3 -1.908 -15.854 2.472 35 1HG ARG 3 1HG ARG 3 -2.568 -18.233 2.713 36 2HG ARG 3 2HG ARG 3 -1.645 -18.638 1.269 37 1HD ARG 3 1HD ARG 3 0.047 -19.098 2.641 38 2HD ARG 3 2HD ARG 3 0.294 -17.364 2.731 39 HE ARG 3 HE ARG 3 -1.368 -19.017 4.634 40 1HH1 ARG 3 1HH2 ARG 3 0.814 -16.226 4.240 41 2HH1 ARG 3 2HH2 ARG 3 1.229 -16.178 5.930 42 1HH2 ARG 3 1HH1 ARG 3 -0.909 -18.830 6.852 43 2HH2 ARG 3 2HH1 ARG 3 0.160 -17.576 7.425 44 H THR 4 H THR 4 -4.862 -14.880 1.766 45 HA THR 4 HA THR 4 -4.998 -12.936 -0.313 46 HB THR 4 HB THR 4 -6.636 -11.932 1.436 47 HG1 THR 4 HG1 THR 4 -7.161 -13.395 3.097 48 1HG2 THR 4 1HG2 THR 4 -7.029 -14.807 0.483 49 2HG2 THR 4 2HG2 THR 4 -8.312 -13.699 1.010 50 3HG2 THR 4 3HG2 THR 4 -7.377 -13.337 -0.452 51 HA PRO 5 HA PRO 5 -2.152 -9.941 1.355 52 1HB PRO 5 1HB PRO 5 -3.166 -7.596 0.376 53 2HB PRO 5 2HB PRO 5 -2.415 -8.848 -0.661 54 1HG PRO 5 1HG PRO 5 -5.360 -8.398 -0.111 55 2HG PRO 5 2HG PRO 5 -4.557 -8.617 -1.693 56 1HD PRO 5 1HD PRO 5 -5.777 -10.679 -0.390 57 2HD PRO 5 2HD PRO 5 -4.268 -10.938 -1.313 58 H LYS 6 H LYS 6 -2.011 -9.582 3.476 59 HA LYS 6 HA LYS 6 -4.231 -8.403 5.012 60 1HB LYS 6 1HB LYS 6 -2.745 -10.288 5.876 61 2HB LYS 6 2HB LYS 6 -1.413 -9.119 5.893 62 1HG LYS 6 1HG LYS 6 -3.092 -7.628 7.268 63 2HG LYS 6 2HG LYS 6 -3.963 -9.147 7.521 64 1HD LYS 6 1HD LYS 6 -1.924 -10.152 8.517 65 2HD LYS 6 2HD LYS 6 -1.011 -8.672 8.157 66 1HE LYS 6 1HE LYS 6 -2.562 -7.368 9.616 67 2HE LYS 6 2HE LYS 6 -3.390 -8.875 10.058 68 1HZ LYS 6 1HZ LYS 6 -0.542 -8.310 10.507 69 2HZ LYS 6 2HZ LYS 6 -1.722 -8.178 11.647 70 3HZ LYS 6 3HZ LYS 6 -1.360 -9.652 11.006 71 H ILE 7 H ILE 7 -4.432 -6.225 4.697 72 HA ILE 7 HA ILE 7 -2.128 -4.546 3.939 73 HB ILE 7 HB ILE 7 -5.058 -3.835 4.216 74 1HG1 ILE 7 1HG1 ILE 7 -4.513 -3.963 1.486 75 2HG1 ILE 7 2HG1 ILE 7 -3.714 -5.404 2.093 76 1HG2 ILE 7 1HG2 ILE 7 -3.536 -1.911 4.194 77 2HG2 ILE 7 2HG2 ILE 7 -2.788 -2.500 2.694 78 3HG2 ILE 7 3HG2 ILE 7 -4.485 -1.983 2.705 79 1HD1 ILE 7 1HD1 ILE 7 -5.879 -6.063 3.212 80 2HD1 ILE 7 2HD1 ILE 7 -6.630 -4.608 2.528 81 3HD1 ILE 7 3HD1 ILE 7 -6.032 -5.885 1.454 82 H GLN 8 H GLN 8 -1.057 -3.193 5.524 83 HA GLN 8 HA GLN 8 -2.709 -2.170 7.734 84 1HB GLN 8 1HB GLN 8 -0.673 -2.547 9.136 85 2HB GLN 8 2HB GLN 8 -1.717 -3.946 8.866 86 1HG GLN 8 1HG GLN 8 0.836 -3.430 7.295 87 2HG GLN 8 2HG GLN 8 0.816 -4.304 8.829 88 1HE2 GLN 8 2HE2 GLN 8 1.622 -5.221 6.117 89 2HE2 GLN 8 1HE2 GLN 8 0.652 -6.652 5.835 90 H VAL 9 H VAL 9 -2.801 -0.182 6.714 91 HA VAL 9 HA VAL 9 -0.370 1.001 5.633 92 HB VAL 9 HB VAL 9 -3.077 2.309 6.056 93 1HG1 VAL 9 1HG1 VAL 9 -1.260 3.919 5.755 94 2HG1 VAL 9 2HG1 VAL 9 -0.643 3.034 4.360 95 3HG1 VAL 9 3HG1 VAL 9 -2.215 3.838 4.271 96 1HG2 VAL 9 1HG2 VAL 9 -2.032 0.831 3.606 97 2HG2 VAL 9 2HG2 VAL 9 -3.439 0.409 4.601 98 3HG2 VAL 9 3HG2 VAL 9 -3.456 1.888 3.636 99 H TYR 10 H TYR 10 1.056 2.155 6.823 100 HA TYR 10 HA TYR 10 0.171 3.323 9.413 101 1HB TYR 10 1HB TYR 10 3.003 3.146 8.418 102 2HB TYR 10 2HB TYR 10 2.421 3.384 10.062 103 HD1 TYR 10 HD1 TYR 10 0.578 1.323 10.670 104 HD2 TYR 10 HD2 TYR 10 3.997 1.091 8.061 105 HE1 TYR 10 HE1 TYR 10 0.652 -1.148 10.971 106 HE2 TYR 10 HE2 TYR 10 4.113 -1.364 8.418 107 HH TYR 10 HH TYR 10 3.384 -3.111 9.782 108 H SER 11 H SER 11 0.799 5.447 9.862 109 HA SER 11 HA SER 11 1.853 7.099 7.609 110 1HB SER 11 1HB SER 11 0.877 9.106 8.683 111 2HB SER 11 2HB SER 11 -0.245 8.026 7.853 112 HG SER 11 HG SER 11 0.261 7.920 10.638 113 H ARG 12 H ARG 12 4.011 7.057 8.176 114 HA ARG 12 HA ARG 12 5.065 6.663 10.802 115 1HB ARG 12 1HB ARG 12 6.165 7.813 8.222 116 2HB ARG 12 2HB ARG 12 7.125 7.818 9.704 117 1HG ARG 12 1HG ARG 12 7.162 5.446 9.848 118 2HG ARG 12 2HG ARG 12 5.913 5.262 8.603 119 1HD ARG 12 1HD ARG 12 8.235 4.796 7.758 120 2HD ARG 12 2HD ARG 12 7.369 6.075 6.885 121 HE ARG 12 HE ARG 12 9.010 7.126 9.015 122 1HH1 ARG 12 1HH2 ARG 12 9.103 6.006 5.639 123 2HH1 ARG 12 2HH2 ARG 12 10.398 7.083 5.190 124 1HH2 ARG 12 1HH1 ARG 12 10.731 8.512 8.405 125 2HH2 ARG 12 2HH1 ARG 12 11.336 8.490 6.767 126 H HIS 13 H HIS 13 4.948 9.648 8.800 127 HA HIS 13 HA HIS 13 5.391 11.297 11.192 128 1HB HIS 13 1HB HIS 13 5.040 12.085 8.290 129 2HB HIS 13 2HB HIS 13 5.472 13.147 9.642 130 HD2 HIS 13 HD2 HIS 13 7.689 13.408 7.584 131 HE1 HIS 13 HE1 HIS 13 9.755 10.223 9.448 132 HE2 HIS 13 HE2 HIS 13 9.992 12.202 7.847 133 HA PRO 14 HA PRO 14 1.002 11.868 11.603 134 1HB PRO 14 1HB PRO 14 0.834 14.087 13.167 135 2HB PRO 14 2HB PRO 14 1.539 12.554 13.754 136 1HG PRO 14 1HG PRO 14 3.012 14.982 12.708 137 2HG PRO 14 2HG PRO 14 3.358 14.039 14.184 138 1HD PRO 14 1HD PRO 14 4.661 13.663 11.778 139 2HD PRO 14 2HD PRO 14 4.407 12.329 12.926 140 H ALA 15 H ALA 15 -0.452 12.636 10.143 141 HA ALA 15 HA ALA 15 0.270 14.103 7.944 142 1HB ALA 15 1HB ALA 15 -1.730 12.649 8.194 143 2HB ALA 15 2HB ALA 15 -2.543 13.966 9.077 144 3HB ALA 15 3HB ALA 15 -2.086 14.185 7.381 145 H GLU 16 H GLU 16 0.327 16.167 7.345 146 HA GLU 16 HA GLU 16 -0.680 18.359 9.062 147 1HB GLU 16 1HB GLU 16 1.583 17.684 9.909 148 2HB GLU 16 2HB GLU 16 2.254 18.034 8.306 149 1HG GLU 16 1HG GLU 16 1.571 20.407 8.539 150 2HG GLU 16 2HG GLU 16 0.781 20.037 10.079 151 H ASN 17 H ASN 17 -1.593 19.819 7.738 152 HA ASN 17 HA ASN 17 -1.620 19.542 4.944 153 1HB ASN 17 1HB ASN 17 -3.416 20.608 6.211 154 2HB ASN 17 2HB ASN 17 -2.339 21.931 6.682 155 1HD2 ASN 17 2HD2 ASN 17 -4.159 23.239 5.694 156 2HD2 ASN 17 1HD2 ASN 17 -4.112 23.512 3.964 157 H GLY 18 H GLY 18 -0.166 20.095 3.420 158 1HA GLY 18 1HA GLY 18 1.258 21.468 2.240 159 2HA GLY 18 2HA GLY 18 1.383 22.574 3.612 160 H LYS 19 H LYS 19 2.219 20.624 5.597 161 HA LYS 19 HA LYS 19 5.047 20.560 4.883 162 1HB LYS 19 1HB LYS 19 4.107 21.394 7.011 163 2HB LYS 19 2HB LYS 19 3.719 19.703 7.400 164 1HG LYS 19 1HG LYS 19 6.542 20.726 6.855 165 2HG LYS 19 2HG LYS 19 5.799 20.666 8.462 166 1HD LYS 19 1HD LYS 19 5.369 18.162 8.025 167 2HD LYS 19 2HD LYS 19 6.509 18.338 6.670 168 1HE LYS 19 1HE LYS 19 8.261 19.103 8.193 169 2HE LYS 19 2HE LYS 19 7.154 18.919 9.570 170 1HZ LYS 19 1HZ LYS 19 6.998 16.620 9.112 171 2HZ LYS 19 2HZ LYS 19 7.905 16.742 7.746 172 3HZ LYS 19 3HZ LYS 19 8.598 17.008 9.224 173 H SER 20 H SER 20 5.835 18.977 3.998 174 HA SER 20 HA SER 20 5.119 16.666 3.027 175 1HB SER 20 1HB SER 20 7.865 17.159 4.096 176 2HB SER 20 2HB SER 20 7.375 16.269 2.646 177 HG SER 20 HG SER 20 8.067 18.335 2.130 178 H ASN 21 H ASN 21 4.304 14.726 3.990 179 HA ASN 21 HA ASN 21 5.365 13.764 6.602 180 1HB ASN 21 1HB ASN 21 2.684 13.382 5.281 181 2HB ASN 21 2HB ASN 21 3.161 12.725 6.858 182 1HD2 ASN 21 2HD2 ASN 21 4.191 14.611 8.331 183 2HD2 ASN 21 1HD2 ASN 21 3.156 16.016 8.442 184 H PHE 22 H PHE 22 4.356 11.123 6.447 185 HA PHE 22 HA PHE 22 5.511 9.893 4.018 186 1HB PHE 22 1HB PHE 22 6.840 9.874 6.644 187 2HB PHE 22 2HB PHE 22 6.470 8.257 6.061 188 HD1 PHE 22 HD1 PHE 22 8.916 10.796 5.885 189 HD2 PHE 22 HD2 PHE 22 7.048 7.645 3.612 190 HE1 PHE 22 HE1 PHE 22 10.955 10.586 4.492 191 HE2 PHE 22 HE2 PHE 22 9.034 7.553 2.122 192 HZ PHE 22 HZ PHE 22 11.011 8.973 2.599 193 H LEU 23 H LEU 23 4.152 8.498 3.279 194 HA LEU 23 HA LEU 23 2.096 7.191 4.984 195 1HB LEU 23 1HB LEU 23 1.243 8.704 3.283 196 2HB LEU 23 2HB LEU 23 2.274 7.963 2.054 197 HG LEU 23 HG LEU 23 0.896 5.858 2.317 198 1HD1 LEU 23 1HD1 LEU 23 -0.693 7.707 4.152 199 2HD1 LEU 23 2HD1 LEU 23 -1.284 6.152 3.516 200 3HD1 LEU 23 3HD1 LEU 23 0.093 6.191 4.627 201 1HD2 LEU 23 1HD2 LEU 23 0.435 7.551 0.568 202 2HD2 LEU 23 2HD2 LEU 23 -1.078 6.834 1.162 203 3HD2 LEU 23 3HD2 LEU 23 -0.585 8.457 1.703 204 H ASN 24 H ASN 24 2.120 4.960 5.088 205 HA ASN 24 HA ASN 24 3.933 3.465 3.248 206 1HB ASN 24 1HB ASN 24 3.785 3.258 6.265 207 2HB ASN 24 2HB ASN 24 4.729 2.228 5.188 208 1HD2 ASN 24 2HD2 ASN 24 6.877 2.732 5.154 209 2HD2 ASN 24 1HD2 ASN 24 7.533 4.337 5.383 210 H CYS 25 H CYS 25 2.364 2.405 2.075 211 HA CYS 25 HA CYS 25 0.209 0.976 3.507 212 1HB CYS 25 1HB CYS 25 0.805 1.146 0.548 213 2HB CYS 25 2HB CYS 25 -0.575 0.362 1.293 214 H TYR 26 H TYR 26 1.665 -0.427 4.741 215 HA TYR 26 HA TYR 26 3.362 -2.290 3.311 216 1HB TYR 26 1HB TYR 26 3.835 -1.569 5.637 217 2HB TYR 26 2HB TYR 26 2.313 -2.226 6.163 218 HD1 TYR 26 HD1 TYR 26 4.753 -3.923 3.820 219 HD2 TYR 26 HD2 TYR 26 3.104 -3.761 7.799 220 HE1 TYR 26 HE1 TYR 26 5.698 -6.124 4.301 221 HE2 TYR 26 HE2 TYR 26 4.050 -5.994 8.279 222 HH TYR 26 HH TYR 26 5.993 -7.796 5.860 223 H VAL 27 H VAL 27 2.770 -4.337 2.552 224 HA VAL 27 HA VAL 27 0.177 -5.445 3.465 225 HB VAL 27 HB VAL 27 1.158 -5.751 0.589 226 1HG1 VAL 27 1HG1 VAL 27 -0.407 -7.466 1.541 227 2HG1 VAL 27 2HG1 VAL 27 -1.555 -6.178 1.909 228 3HG1 VAL 27 3HG1 VAL 27 -1.116 -6.526 0.219 229 1HG2 VAL 27 1HG2 VAL 27 -0.941 -3.812 1.571 230 2HG2 VAL 27 2HG2 VAL 27 0.639 -3.360 0.895 231 3HG2 VAL 27 3HG2 VAL 27 -0.533 -4.206 -0.124 232 H SER 28 H SER 28 0.340 -7.682 3.923 233 HA SER 28 HA SER 28 2.570 -9.205 2.897 234 1HB SER 28 1HB SER 28 3.610 -9.713 5.090 235 2HB SER 28 2HB SER 28 3.708 -8.006 4.736 236 HG SER 28 HG SER 28 3.001 -8.370 6.856 237 H GLY 29 H GLY 29 2.639 -11.377 4.478 238 1HA GLY 29 1HA GLY 29 1.514 -13.228 5.209 239 2HA GLY 29 2HA GLY 29 -0.029 -12.372 5.104 240 H PHE 30 H PHE 30 0.661 -11.621 2.184 241 HA PHE 30 HA PHE 30 -0.773 -13.851 1.077 242 1HB PHE 30 1HB PHE 30 -0.921 -12.518 -0.916 243 2HB PHE 30 2HB PHE 30 -1.303 -11.602 0.506 244 HD1 PHE 30 HD1 PHE 30 0.084 -9.597 1.143 245 HD2 PHE 30 HD2 PHE 30 1.157 -12.140 -2.177 246 HE1 PHE 30 HE1 PHE 30 1.828 -8.002 0.447 247 HE2 PHE 30 HE2 PHE 30 2.926 -10.556 -2.823 248 HZ PHE 30 HZ PHE 30 3.275 -8.520 -1.490 249 H HIS 31 H HIS 31 -0.037 -14.509 -1.259 250 HA HIS 31 HA HIS 31 2.666 -14.520 -2.089 251 1HB HIS 31 1HB HIS 31 3.454 -16.631 -1.649 252 2HB HIS 31 2HB HIS 31 2.704 -16.243 -0.116 253 HD2 HIS 31 HD2 HIS 31 1.996 -18.352 -3.294 254 HE1 HIS 31 HE1 HIS 31 -0.212 -19.962 -0.044 255 HE2 HIS 31 HE2 HIS 31 0.465 -20.371 -2.471 256 HA PRO 32 HA PRO 32 3.698 -15.712 -3.834 257 1HB PRO 32 1HB PRO 32 4.174 -16.030 -6.446 258 2HB PRO 32 2HB PRO 32 3.316 -17.282 -5.545 259 1HG PRO 32 1HG PRO 32 1.992 -15.060 -7.139 260 2HG PRO 32 2HG PRO 32 1.795 -16.819 -7.371 261 1HD PRO 32 1HD PRO 32 0.111 -15.363 -5.749 262 2HD PRO 32 2HD PRO 32 0.583 -17.045 -5.355 263 H SER 33 H SER 33 4.273 -14.200 -6.623 264 HA SER 33 HA SER 33 4.818 -11.732 -5.208 265 1HB SER 33 1HB SER 33 6.513 -11.507 -6.896 266 2HB SER 33 2HB SER 33 6.505 -13.189 -6.331 267 HG SER 33 HG SER 33 6.584 -13.062 -8.604 268 H ASP 34 H ASP 34 2.499 -12.697 -7.580 269 HA ASP 34 HA ASP 34 2.627 -10.308 -9.196 270 1HB ASP 34 1HB ASP 34 2.155 -12.504 -10.139 271 2HB ASP 34 2HB ASP 34 0.720 -12.675 -9.125 272 H ILE 35 H ILE 35 2.327 -8.894 -7.192 273 HA ILE 35 HA ILE 35 -0.556 -8.197 -7.016 274 HB ILE 35 HB ILE 35 0.200 -9.128 -4.978 275 1HG1 ILE 35 1HG1 ILE 35 -0.111 -6.117 -4.584 276 2HG1 ILE 35 2HG1 ILE 35 -1.447 -7.189 -4.964 277 1HG2 ILE 35 1HG2 ILE 35 2.193 -6.856 -4.852 278 2HG2 ILE 35 2HG2 ILE 35 1.868 -8.041 -3.576 279 3HG2 ILE 35 3HG2 ILE 35 2.568 -8.595 -5.097 280 1HD1 ILE 35 1HD1 ILE 35 -0.802 -8.550 -2.892 281 2HD1 ILE 35 2HD1 ILE 35 0.253 -7.204 -2.450 282 3HD1 ILE 35 3HD1 ILE 35 -1.482 -6.928 -2.617 283 H GLU 36 H GLU 36 -1.148 -6.131 -7.069 284 HA GLU 36 HA GLU 36 0.775 -4.124 -8.141 285 1HB GLU 36 1HB GLU 36 -2.179 -4.185 -8.733 286 2HB GLU 36 2HB GLU 36 -0.865 -3.358 -9.558 287 1HG GLU 36 1HG GLU 36 0.030 -5.657 -10.186 288 2HG GLU 36 2HG GLU 36 -1.436 -6.348 -9.508 289 H VAL 37 H VAL 37 0.951 -2.281 -6.927 290 HA VAL 37 HA VAL 37 -1.331 -1.271 -5.351 291 HB VAL 37 HB VAL 37 1.437 -1.789 -4.238 292 1HG1 VAL 37 1HG1 VAL 37 0.230 0.183 -3.141 293 2HG1 VAL 37 2HG1 VAL 37 -0.949 -1.004 -2.541 294 3HG1 VAL 37 3HG1 VAL 37 0.743 -1.146 -2.089 295 1HG2 VAL 37 1HG2 VAL 37 -1.194 -3.272 -3.871 296 2HG2 VAL 37 2HG2 VAL 37 0.395 -3.920 -4.346 297 3HG2 VAL 37 3HG2 VAL 37 0.091 -3.389 -2.683 298 H ASP 38 H ASP 38 -1.308 0.074 -7.270 299 HA ASP 38 HA ASP 38 0.675 2.181 -7.544 300 1HB ASP 38 1HB ASP 38 -2.268 2.079 -8.371 301 2HB ASP 38 2HB ASP 38 -1.086 3.297 -8.846 302 H LEU 39 H LEU 39 0.918 3.816 -6.076 303 HA LEU 39 HA LEU 39 -1.122 4.284 -3.995 304 1HB LEU 39 1HB LEU 39 1.637 5.448 -4.540 305 2HB LEU 39 2HB LEU 39 0.519 6.046 -3.299 306 HG LEU 39 HG LEU 39 0.458 3.380 -2.720 307 1HD1 LEU 39 1HD1 LEU 39 2.146 2.797 -4.465 308 2HD1 LEU 39 2HD1 LEU 39 3.306 3.856 -3.643 309 3HD1 LEU 39 3HD1 LEU 39 2.677 2.416 -2.821 310 1HD2 LEU 39 1HD2 LEU 39 2.593 5.309 -1.749 311 2HD2 LEU 39 2HD2 LEU 39 0.919 5.246 -1.151 312 3HD2 LEU 39 3HD2 LEU 39 1.999 3.867 -0.896 313 H LEU 40 H LEU 40 -2.599 5.903 -4.077 314 HA LEU 40 HA LEU 40 -2.800 7.447 -6.607 315 1HB LEU 40 1HB LEU 40 -3.544 4.906 -6.636 316 2HB LEU 40 2HB LEU 40 -4.920 5.495 -5.725 317 HG LEU 40 HG LEU 40 -5.495 5.306 -8.025 318 1HD1 LEU 40 1HD1 LEU 40 -5.081 8.294 -7.584 319 2HD1 LEU 40 2HD1 LEU 40 -6.282 7.507 -8.615 320 3HD1 LEU 40 3HD1 LEU 40 -6.394 7.334 -6.853 321 1HD2 LEU 40 1HD2 LEU 40 -3.081 5.488 -8.850 322 2HD2 LEU 40 2HD2 LEU 40 -4.330 6.238 -9.865 323 3HD2 LEU 40 3HD2 LEU 40 -3.328 7.250 -8.825 324 H LYS 41 H LYS 41 -3.364 9.505 -5.911 325 HA LYS 41 HA LYS 41 -4.642 9.876 -3.402 326 1HB LYS 41 1HB LYS 41 -3.967 11.756 -5.678 327 2HB LYS 41 2HB LYS 41 -4.299 12.245 -3.994 328 1HG LYS 41 1HG LYS 41 -2.398 11.260 -3.163 329 2HG LYS 41 2HG LYS 41 -2.055 10.285 -4.596 330 1HD LYS 41 1HD LYS 41 -0.596 12.152 -4.450 331 2HD LYS 41 2HD LYS 41 -1.528 12.189 -5.939 332 1HE LYS 41 1HE LYS 41 -3.015 13.857 -5.164 333 2HE LYS 41 2HE LYS 41 -2.459 13.691 -3.482 334 1HZ LYS 41 1HZ LYS 41 -0.400 14.677 -4.116 335 2HZ LYS 41 2HZ LYS 41 -0.850 14.750 -5.705 336 3HZ LYS 41 3HZ LYS 41 -1.650 15.659 -4.575 337 H ASN 42 H ASN 42 -6.053 12.296 -4.766 338 HA ASN 42 HA ASN 42 -8.738 11.274 -4.819 339 1HB ASN 42 1HB ASN 42 -9.363 13.516 -5.332 340 2HB ASN 42 2HB ASN 42 -8.018 13.649 -4.198 341 1HD2 ASN 42 2HD2 ASN 42 -5.736 13.914 -5.335 342 2HD2 ASN 42 1HD2 ASN 42 -5.718 14.899 -6.778 343 H GLY 43 H GLY 43 -6.302 12.074 -7.298 344 1HA GLY 43 1HA GLY 43 -7.201 10.041 -9.054 345 2HA GLY 43 2HA GLY 43 -7.827 11.602 -9.631 346 H GLU 44 H GLU 44 -4.760 10.937 -7.916 347 HA GLU 44 HA GLU 44 -3.156 11.463 -10.372 348 1HB GLU 44 1HB GLU 44 -3.376 13.580 -9.171 349 2HB GLU 44 2HB GLU 44 -2.900 12.814 -7.655 350 1HG GLU 44 1HG GLU 44 -0.650 12.302 -8.651 351 2HG GLU 44 2HG GLU 44 -1.163 13.096 -10.148 352 H ARG 45 H ARG 45 -1.722 9.835 -10.622 353 HA ARG 45 HA ARG 45 -1.315 7.903 -8.463 354 1HB ARG 45 1HB ARG 45 -1.741 7.208 -10.828 355 2HB ARG 45 2HB ARG 45 -0.167 7.893 -11.276 356 1HG ARG 45 1HG ARG 45 0.972 6.368 -9.701 357 2HG ARG 45 2HG ARG 45 -0.583 5.723 -9.154 358 1HD ARG 45 1HD ARG 45 0.486 5.542 -11.999 359 2HD ARG 45 2HD ARG 45 0.643 4.276 -10.761 360 HE ARG 45 HE ARG 45 -2.099 4.985 -11.004 361 1HH1 ARG 45 1HH2 ARG 45 0.450 3.220 -12.738 362 2HH1 ARG 45 2HH2 ARG 45 -0.672 2.240 -13.647 363 1HH2 ARG 45 1HH1 ARG 45 -3.558 3.659 -12.182 364 2HH2 ARG 45 2HH1 ARG 45 -2.951 2.480 -13.317 365 H ILE 46 H ILE 46 0.466 7.598 -7.242 366 HA ILE 46 HA ILE 46 2.591 9.596 -7.291 367 HB ILE 46 HB ILE 46 1.582 7.455 -5.396 368 1HG1 ILE 46 1HG1 ILE 46 1.404 10.499 -5.375 369 2HG1 ILE 46 2HG1 ILE 46 0.068 9.381 -5.687 370 1HG2 ILE 46 1HG2 ILE 46 4.042 7.825 -5.213 371 2HG2 ILE 46 2HG2 ILE 46 3.710 9.559 -4.956 372 3HG2 ILE 46 3HG2 ILE 46 3.120 8.326 -3.796 373 1HD1 ILE 46 1HD1 ILE 46 0.350 8.439 -3.367 374 2HD1 ILE 46 2HD1 ILE 46 1.510 9.759 -3.046 375 3HD1 ILE 46 3HD1 ILE 46 -0.160 10.110 -3.500 376 H GLU 47 H GLU 47 3.979 8.980 -8.912 377 HA GLU 47 HA GLU 47 4.739 6.188 -9.356 378 1HB GLU 47 1HB GLU 47 5.721 8.800 -10.563 379 2HB GLU 47 2HB GLU 47 6.213 7.174 -11.079 380 1HG GLU 47 1HG GLU 47 3.837 6.616 -11.577 381 2HG GLU 47 2HG GLU 47 3.361 8.273 -11.175 382 H LYS 48 H LYS 48 5.989 8.990 -7.578 383 HA LYS 48 HA LYS 48 8.643 7.842 -7.169 384 1HB LYS 48 1HB LYS 48 7.247 10.233 -5.906 385 2HB LYS 48 2HB LYS 48 8.946 9.770 -5.677 386 1HG LYS 48 1HG LYS 48 9.307 9.960 -8.138 387 2HG LYS 48 2HG LYS 48 7.638 10.541 -8.323 388 1HD LYS 48 1HD LYS 48 8.131 12.413 -6.752 389 2HD LYS 48 2HD LYS 48 9.819 11.884 -6.659 390 1HE LYS 48 1HE LYS 48 8.361 12.773 -9.198 391 2HE LYS 48 2HE LYS 48 9.487 13.764 -8.253 392 1HZ LYS 48 1HZ LYS 48 11.198 12.159 -8.726 393 2HZ LYS 48 2HZ LYS 48 10.156 11.263 -9.637 394 3HZ LYS 48 3HZ LYS 48 10.568 12.783 -10.115 395 H VAL 49 H VAL 49 7.799 5.776 -6.461 396 HA VAL 49 HA VAL 49 6.879 5.673 -3.634 397 HB VAL 49 HB VAL 49 7.102 3.420 -5.665 398 1HG1 VAL 49 1HG1 VAL 49 5.644 3.670 -2.991 399 2HG1 VAL 49 2HG1 VAL 49 5.604 2.259 -4.071 400 3HG1 VAL 49 3HG1 VAL 49 7.117 2.730 -3.279 401 1HG2 VAL 49 1HG2 VAL 49 4.741 5.206 -4.943 402 2HG2 VAL 49 2HG2 VAL 49 5.468 4.971 -6.545 403 3HG2 VAL 49 3HG2 VAL 49 4.588 3.646 -5.785 404 H GLU 50 H GLU 50 8.370 5.280 -2.118 405 HA GLU 50 HA GLU 50 11.156 4.549 -2.806 406 1HB GLU 50 1HB GLU 50 10.520 6.592 -1.403 407 2HB GLU 50 2HB GLU 50 9.981 5.450 -0.154 408 1HG GLU 50 1HG GLU 50 12.254 4.509 -0.018 409 2HG GLU 50 2HG GLU 50 12.787 5.621 -1.292 410 H HIS 51 H HIS 51 9.793 2.343 -3.327 411 HA HIS 51 HA HIS 51 8.759 0.994 -1.024 412 1HB HIS 51 1HB HIS 51 8.524 -0.963 -2.570 413 2HB HIS 51 2HB HIS 51 7.777 0.522 -3.131 414 HD2 HIS 51 HD2 HIS 51 11.551 -0.563 -3.792 415 HE1 HIS 51 HE1 HIS 51 9.497 -0.202 -7.462 416 HE2 HIS 51 HE2 HIS 51 11.758 -0.719 -6.375 417 H SER 52 H SER 52 9.396 -1.157 -0.298 418 HA SER 52 HA SER 52 12.262 -1.309 0.332 419 1HB SER 52 1HB SER 52 10.490 -1.681 2.057 420 2HB SER 52 2HB SER 52 9.954 -3.111 1.149 421 HG SER 52 HG SER 52 12.137 -3.887 1.429 422 H ASP 53 H ASP 53 10.429 -2.291 -2.303 423 HA ASP 53 HA ASP 53 10.399 -3.935 -3.807 424 1HB ASP 53 1HB ASP 53 13.227 -4.585 -2.872 425 2HB ASP 53 2HB ASP 53 12.463 -5.176 -4.344 426 H LEU 54 H LEU 54 11.104 -6.596 -3.895 427 HA LEU 54 HA LEU 54 9.166 -7.618 -2.046 428 1HB LEU 54 1HB LEU 54 9.578 -8.305 -4.495 429 2HB LEU 54 2HB LEU 54 10.880 -9.307 -3.860 430 HG LEU 54 HG LEU 54 8.946 -10.662 -4.146 431 1HD1 LEU 54 1HD1 LEU 54 10.257 -10.956 -1.996 432 2HD1 LEU 54 2HD1 LEU 54 8.852 -10.214 -1.180 433 3HD1 LEU 54 3HD1 LEU 54 8.658 -11.700 -2.077 434 1HD2 LEU 54 1HD2 LEU 54 7.336 -8.598 -2.587 435 2HD2 LEU 54 2HD2 LEU 54 7.167 -9.062 -4.291 436 3HD2 LEU 54 3HD2 LEU 54 6.759 -10.186 -2.990 437 H SER 55 H SER 55 9.460 -8.369 -0.094 438 HA SER 55 HA SER 55 12.030 -9.620 0.725 439 1HB SER 55 1HB SER 55 11.904 -7.271 1.626 440 2HB SER 55 2HB SER 55 10.375 -7.686 2.417 441 HG SER 55 HG SER 55 12.907 -8.903 2.842 442 H PHE 56 H PHE 56 10.783 -11.629 0.148 443 HA PHE 56 HA PHE 56 8.464 -12.298 1.795 444 1HB PHE 56 1HB PHE 56 8.671 -14.491 1.027 445 2HB PHE 56 2HB PHE 56 8.804 -13.382 -0.330 446 HD1 PHE 56 HD1 PHE 56 10.904 -13.186 -1.595 447 HD2 PHE 56 HD2 PHE 56 10.438 -15.996 1.636 448 HE1 PHE 56 HE1 PHE 56 12.935 -14.401 -2.359 449 HE2 PHE 56 HE2 PHE 56 12.440 -17.238 0.843 450 HZ PHE 56 HZ PHE 56 13.701 -16.430 -1.143 451 H SER 57 H SER 57 8.653 -12.779 4.027 452 HA SER 57 HA SER 57 11.280 -13.094 5.234 453 1HB SER 57 1HB SER 57 9.562 -12.177 6.626 454 2HB SER 57 2HB SER 57 8.522 -13.605 6.400 455 HG SER 57 HG SER 57 11.052 -13.479 7.667 456 H LYS 58 H LYS 58 12.318 -15.035 5.608 457 HA LYS 58 HA LYS 58 11.635 -17.152 3.786 458 1HB LYS 58 1HB LYS 58 13.917 -16.879 5.784 459 2HB LYS 58 2HB LYS 58 13.830 -18.059 4.460 460 1HG LYS 58 1HG LYS 58 13.712 -16.205 2.812 461 2HG LYS 58 2HG LYS 58 13.891 -15.022 4.120 462 1HD LYS 58 1HD LYS 58 16.086 -15.993 4.715 463 2HD LYS 58 2HD LYS 58 15.914 -17.180 3.403 464 1HE LYS 58 1HE LYS 58 15.739 -15.276 1.764 465 2HE LYS 58 2HE LYS 58 16.022 -14.140 3.096 466 1HZ LYS 58 1HZ LYS 58 17.872 -16.240 2.204 467 2HZ LYS 58 2HZ LYS 58 18.017 -14.627 1.901 468 3HZ LYS 58 3HZ LYS 58 18.142 -15.190 3.446 469 H ASP 59 H ASP 59 9.956 -16.780 6.374 470 HA ASP 59 HA ASP 59 9.935 -19.512 7.362 471 1HB ASP 59 1HB ASP 59 8.051 -17.110 7.587 472 2HB ASP 59 2HB ASP 59 7.653 -18.698 8.257 473 H TRP 60 H TRP 60 7.085 -17.920 6.043 474 HA TRP 60 HA TRP 60 7.042 -19.152 3.453 475 1HB TRP 60 1HB TRP 60 5.262 -20.659 3.676 476 2HB TRP 60 2HB TRP 60 6.625 -21.189 4.633 477 HD1 TRP 60 HD1 TRP 60 6.364 -20.634 7.372 478 HE1 TRP 60 HE1 TRP 60 4.254 -21.037 8.847 479 HE3 TRP 60 HE3 TRP 60 2.872 -20.506 3.736 480 HZ2 TRP 60 HZ2 TRP 60 1.425 -21.380 8.427 481 HZ3 TRP 60 HZ3 TRP 60 0.447 -20.967 4.248 482 HH2 TRP 60 HH2 TRP 60 -0.261 -21.412 6.589 483 H SER 61 H SER 61 6.998 -16.781 3.427 484 HA SER 61 HA SER 61 4.223 -15.707 3.461 485 1HB SER 61 1HB SER 61 5.000 -13.678 4.539 486 2HB SER 61 2HB SER 61 5.494 -15.037 5.560 487 HG SER 61 HG SER 61 7.569 -14.895 4.548 488 H PHE 62 H PHE 62 4.607 -13.276 2.446 489 HA PHE 62 HA PHE 62 6.684 -12.996 0.527 490 1HB PHE 62 1HB PHE 62 4.640 -14.633 -0.425 491 2HB PHE 62 2HB PHE 62 4.097 -13.046 -0.949 492 HD1 PHE 62 HD1 PHE 62 5.239 -11.892 -2.790 493 HD2 PHE 62 HD2 PHE 62 6.920 -15.487 -1.080 494 HE1 PHE 62 HE1 PHE 62 7.000 -11.911 -4.472 495 HE2 PHE 62 HE2 PHE 62 8.597 -15.561 -2.831 496 HZ PHE 62 HZ PHE 62 8.607 -13.789 -4.631 497 H TYR 63 H TYR 63 6.941 -10.696 0.626 498 HA TYR 63 HA TYR 63 4.518 -9.024 0.661 499 1HB TYR 63 1HB TYR 63 5.020 -7.943 2.808 500 2HB TYR 63 2HB TYR 63 4.595 -9.645 2.951 501 HD1 TYR 63 HD1 TYR 63 5.868 -11.142 4.190 502 HD2 TYR 63 HD2 TYR 63 7.382 -7.265 3.086 503 HE1 TYR 63 HE1 TYR 63 7.619 -11.333 5.898 504 HE2 TYR 63 HE2 TYR 63 9.178 -7.462 4.744 505 HH TYR 63 HH TYR 63 10.182 -8.828 6.330 506 H LEU 64 H LEU 64 5.163 -6.705 1.147 507 HA LEU 64 HA LEU 64 7.805 -5.810 0.653 508 1HB LEU 64 1HB LEU 64 7.574 -4.759 -1.516 509 2HB LEU 64 2HB LEU 64 7.412 -6.503 -1.652 510 HG LEU 64 HG LEU 64 5.263 -4.433 -1.896 511 1HD1 LEU 64 1HD1 LEU 64 6.285 -6.547 -3.859 512 2HD1 LEU 64 2HD1 LEU 64 4.966 -5.426 -4.178 513 3HD1 LEU 64 3HD1 LEU 64 6.605 -4.797 -3.961 514 1HD2 LEU 64 1HD2 LEU 64 5.108 -7.451 -1.753 515 2HD2 LEU 64 2HD2 LEU 64 4.100 -6.269 -0.852 516 3HD2 LEU 64 3HD2 LEU 64 3.854 -6.539 -2.583 517 H LEU 65 H LEU 65 7.942 -3.536 0.942 518 HA LEU 65 HA LEU 65 5.554 -2.285 2.168 519 1HB LEU 65 1HB LEU 65 8.148 -2.707 3.112 520 2HB LEU 65 2HB LEU 65 8.238 -1.059 2.497 521 HG LEU 65 HG LEU 65 6.141 -2.085 4.453 522 1HD1 LEU 65 1HD1 LEU 65 8.368 -2.190 5.442 523 2HD1 LEU 65 2HD1 LEU 65 8.722 -0.534 4.901 524 3HD1 LEU 65 3HD1 LEU 65 7.476 -0.823 6.139 525 1HD2 LEU 65 1HD2 LEU 65 5.475 -0.051 3.107 526 2HD2 LEU 65 2HD2 LEU 65 5.627 0.231 4.848 527 3HD2 LEU 65 3HD2 LEU 65 6.912 0.772 3.756 528 H TYR 66 H TYR 66 4.776 -0.419 1.165 529 HA TYR 66 HA TYR 66 6.215 0.574 -1.234 530 1HB TYR 66 1HB TYR 66 3.208 0.230 -1.309 531 2HB TYR 66 2HB TYR 66 4.356 0.268 -2.624 532 HD1 TYR 66 HD1 TYR 66 4.223 -1.763 -3.870 533 HD2 TYR 66 HD2 TYR 66 3.631 -1.965 0.406 534 HE1 TYR 66 HE1 TYR 66 2.998 -3.898 -4.101 535 HE2 TYR 66 HE2 TYR 66 2.601 -4.136 0.163 536 HH TYR 66 HH TYR 66 1.697 -5.489 -3.035 537 H TYR 67 H TYR 67 6.832 2.311 -0.095 538 HA TYR 67 HA TYR 67 4.718 4.016 1.087 539 1HB TYR 67 1HB TYR 67 6.361 4.643 2.681 540 2HB TYR 67 2HB TYR 67 5.894 2.960 2.655 541 HD1 TYR 67 HD1 TYR 67 8.605 5.219 2.736 542 HD2 TYR 67 HD2 TYR 67 7.549 1.243 1.469 543 HE1 TYR 67 HE1 TYR 67 10.886 4.441 3.290 544 HE2 TYR 67 HE2 TYR 67 9.837 0.490 1.925 545 HH TYR 67 HH TYR 67 12.379 2.650 3.227 546 H THR 68 H THR 68 4.812 6.088 0.925 547 HA THR 68 HA THR 68 6.758 7.433 -0.934 548 HB THR 68 HB THR 68 4.696 6.832 -2.015 549 HG1 THR 68 HG1 THR 68 5.837 8.620 -2.687 550 1HG2 THR 68 1HG2 THR 68 3.378 8.804 -0.073 551 2HG2 THR 68 2HG2 THR 68 2.607 8.056 -1.473 552 3HG2 THR 68 3HG2 THR 68 3.100 7.049 -0.104 553 H GLU 69 H GLU 69 6.871 9.783 -0.698 554 HA GLU 69 HA GLU 69 6.576 10.801 2.048 555 1HB GLU 69 1HB GLU 69 8.617 10.986 0.304 556 2HB GLU 69 2HB GLU 69 7.748 12.446 -0.149 557 1HG GLU 69 1HG GLU 69 8.681 11.707 2.658 558 2HG GLU 69 2HG GLU 69 9.555 12.755 1.537 559 H PHE 70 H PHE 70 4.268 10.917 2.079 560 HA PHE 70 HA PHE 70 2.853 12.333 -0.069 561 1HB PHE 70 1HB PHE 70 0.898 11.589 0.762 562 2HB PHE 70 2HB PHE 70 1.952 10.262 1.200 563 HD1 PHE 70 HD1 PHE 70 -0.628 12.504 2.320 564 HD2 PHE 70 HD2 PHE 70 2.929 10.498 3.627 565 HE1 PHE 70 HE1 PHE 70 -1.216 12.947 4.679 566 HE2 PHE 70 HE2 PHE 70 2.105 10.574 6.000 567 HZ PHE 70 HZ PHE 70 0.062 11.854 6.514 568 H THR 71 H THR 71 2.189 14.367 0.004 569 HA THR 71 HA THR 71 2.287 15.962 2.527 570 HB THR 71 HB THR 71 2.404 16.932 -0.297 571 HG1 THR 71 HG1 THR 71 4.579 17.291 0.360 572 1HG2 THR 71 1HG2 THR 71 3.063 19.035 0.833 573 2HG2 THR 71 2HG2 THR 71 1.444 18.557 1.375 574 3HG2 THR 71 3HG2 THR 71 2.847 18.264 2.419 575 HA PRO 72 HA PRO 72 -2.243 15.569 1.546 576 1HB PRO 72 1HB PRO 72 -3.316 15.998 3.990 577 2HB PRO 72 2HB PRO 72 -2.443 14.506 3.565 578 1HG PRO 72 1HG PRO 72 -1.368 16.921 5.041 579 2HG PRO 72 2HG PRO 72 -1.191 15.207 5.496 580 1HD PRO 72 1HD PRO 72 0.738 16.625 4.124 581 2HD PRO 72 2HD PRO 72 0.511 14.873 3.902 582 H THR 73 H THR 73 -1.654 17.483 0.218 583 HA THR 73 HA THR 73 -1.852 20.162 1.188 584 HB THR 73 HB THR 73 -2.161 20.687 -1.262 585 HG1 THR 73 HG1 THR 73 -3.142 18.697 -1.842 586 1HG2 THR 73 1HG2 THR 73 0.166 18.818 -0.636 587 2HG2 THR 73 2HG2 THR 73 0.099 20.049 -1.908 588 3HG2 THR 73 3HG2 THR 73 0.099 20.545 -0.204 589 H GLU 74 H GLU 74 -3.631 20.625 2.322 590 HA GLU 74 HA GLU 74 -5.732 20.953 2.968 591 1HB GLU 74 1HB GLU 74 -6.051 21.552 0.002 592 2HB GLU 74 2HB GLU 74 -7.318 21.838 1.209 593 1HG GLU 74 1HG GLU 74 -5.776 23.279 2.502 594 2HG GLU 74 2HG GLU 74 -4.521 23.044 1.272 595 H LYS 75 H LYS 75 -6.952 19.602 -0.069 596 HA LYS 75 HA LYS 75 -8.288 17.449 1.533 597 1HB LYS 75 1HB LYS 75 -9.365 19.113 -0.771 598 2HB LYS 75 2HB LYS 75 -10.202 17.758 0.015 599 1HG LYS 75 1HG LYS 75 -10.096 18.967 2.194 600 2HG LYS 75 2HG LYS 75 -9.378 20.365 1.367 601 1HD LYS 75 1HD LYS 75 -11.366 20.528 -0.101 602 2HD LYS 75 2HD LYS 75 -12.091 19.131 0.727 603 1HE LYS 75 1HE LYS 75 -12.030 20.392 2.879 604 2HE LYS 75 2HE LYS 75 -11.343 21.792 2.031 605 1HZ LYS 75 1HZ LYS 75 -13.332 21.898 0.721 606 2HZ LYS 75 2HZ LYS 75 -13.966 20.585 1.492 607 3HZ LYS 75 3HZ LYS 75 -13.698 21.981 2.326 608 H ASP 76 H ASP 76 -5.701 17.493 -0.198 609 HA ASP 76 HA ASP 76 -6.296 15.478 -2.239 610 1HB ASP 76 1HB ASP 76 -3.762 16.490 -0.925 611 2HB ASP 76 2HB ASP 76 -3.780 15.031 -1.924 612 H GLU 77 H GLU 77 -7.472 13.820 -1.367 613 HA GLU 77 HA GLU 77 -6.768 12.331 1.011 614 1HB GLU 77 1HB GLU 77 -9.014 12.306 -0.095 615 2HB GLU 77 2HB GLU 77 -8.291 11.515 -1.505 616 1HG GLU 77 1HG GLU 77 -7.679 9.560 -0.052 617 2HG GLU 77 2HG GLU 77 -8.456 10.369 1.321 618 H TYR 78 H TYR 78 -5.620 10.290 1.048 619 HA TYR 78 HA TYR 78 -4.145 9.517 -1.419 620 1HB TYR 78 1HB TYR 78 -2.984 9.657 1.354 621 2HB TYR 78 2HB TYR 78 -2.336 8.677 0.047 622 HD1 TYR 78 HD1 TYR 78 -3.413 12.220 0.732 623 HD2 TYR 78 HD2 TYR 78 -0.644 9.607 -1.268 624 HE1 TYR 78 HE1 TYR 78 -2.298 14.172 -0.294 625 HE2 TYR 78 HE2 TYR 78 0.618 11.591 -2.090 626 HH TYR 78 HH TYR 78 -0.328 14.927 -1.242 627 H ALA 79 H ALA 79 -4.135 7.389 -1.876 628 HA ALA 79 HA ALA 79 -5.253 5.434 0.009 629 1HB ALA 79 1HB ALA 79 -7.233 6.354 -1.205 630 2HB ALA 79 2HB ALA 79 -6.469 5.946 -2.753 631 3HB ALA 79 3HB ALA 79 -6.923 4.659 -1.629 632 H CYS 80 H CYS 80 -5.162 3.238 -1.084 633 HA CYS 80 HA CYS 80 -2.779 2.963 -2.856 634 1HB CYS 80 1HB CYS 80 -3.238 1.803 -0.095 635 2HB CYS 80 2HB CYS 80 -2.156 1.041 -1.271 636 H ARG 81 H ARG 81 -3.258 1.759 -4.516 637 HA ARG 81 HA ARG 81 -5.695 0.252 -4.812 638 1HB ARG 81 1HB ARG 81 -4.429 1.218 -6.697 639 2HB ARG 81 2HB ARG 81 -3.047 0.198 -6.273 640 1HG ARG 81 1HG ARG 81 -4.425 -1.838 -6.750 641 2HG ARG 81 2HG ARG 81 -5.761 -0.780 -7.239 642 1HD ARG 81 1HD ARG 81 -4.244 0.223 -8.981 643 2HD ARG 81 2HD ARG 81 -2.977 -0.912 -8.454 644 HE ARG 81 HE ARG 81 -5.565 -2.061 -9.244 645 1HH1 ARG 81 1HH2 ARG 81 -2.324 -1.187 -10.460 646 2HH1 ARG 81 2HH2 ARG 81 -2.225 -2.604 -11.490 647 1HH2 ARG 81 1HH1 ARG 81 -5.446 -3.802 -10.705 648 2HH2 ARG 81 2HH1 ARG 81 -3.994 -4.078 -11.637 649 H VAL 82 H VAL 82 -5.980 -2.079 -4.534 650 HA VAL 82 HA VAL 82 -3.576 -3.625 -3.749 651 HB VAL 82 HB VAL 82 -6.286 -3.873 -2.383 652 1HG1 VAL 82 1HG1 VAL 82 -4.840 -5.883 -2.488 653 2HG1 VAL 82 2HG1 VAL 82 -3.515 -4.954 -1.750 654 3HG1 VAL 82 3HG1 VAL 82 -5.011 -5.265 -0.832 655 1HG2 VAL 82 1HG2 VAL 82 -5.337 -1.693 -1.698 656 2HG2 VAL 82 2HG2 VAL 82 -5.262 -2.863 -0.393 657 3HG2 VAL 82 3HG2 VAL 82 -3.793 -2.483 -1.309 658 H ASN 83 H ASN 83 -3.400 -4.717 -5.680 659 HA ASN 83 HA ASN 83 -5.698 -6.511 -6.288 660 1HB ASN 83 1HB ASN 83 -5.486 -4.631 -7.984 661 2HB ASN 83 2HB ASN 83 -3.936 -5.309 -8.444 662 1HD2 ASN 83 2HD2 ASN 83 -4.237 -6.378 -10.405 663 2HD2 ASN 83 1HD2 ASN 83 -5.552 -7.493 -10.703 664 H HIS 84 H HIS 84 -4.611 -8.065 -4.942 665 HA HIS 84 HA HIS 84 -2.009 -9.213 -5.738 666 1HB HIS 84 1HB HIS 84 -2.873 -9.373 -3.432 667 2HB HIS 84 2HB HIS 84 -4.281 -10.252 -4.026 668 HD2 HIS 84 HD2 HIS 84 -0.354 -10.861 -3.836 669 HE1 HIS 84 HE1 HIS 84 -2.430 -14.558 -3.831 670 HE2 HIS 84 HE2 HIS 84 -0.133 -13.463 -3.555 671 H VAL 85 H VAL 85 -2.037 -11.434 -6.749 672 HA VAL 85 HA VAL 85 -3.709 -11.622 -8.996 673 HB VAL 85 HB VAL 85 -1.531 -12.688 -8.801 674 1HG1 VAL 85 1HG1 VAL 85 -1.665 -13.664 -6.544 675 2HG1 VAL 85 2HG1 VAL 85 -2.887 -14.829 -7.106 676 3HG1 VAL 85 3HG1 VAL 85 -1.241 -14.876 -7.759 677 1HG2 VAL 85 1HG2 VAL 85 -3.734 -14.658 -9.526 678 2HG2 VAL 85 2HG2 VAL 85 -3.135 -13.342 -10.561 679 3HG2 VAL 85 3HG2 VAL 85 -2.057 -14.671 -10.105 680 H THR 86 H THR 86 -4.189 -13.023 -5.745 681 HA THR 86 HA THR 86 -6.445 -14.607 -6.605 682 HB THR 86 HB THR 86 -4.806 -15.084 -4.712 683 HG1 THR 86 HG1 THR 86 -6.635 -16.309 -5.325 684 1HG2 THR 86 1HG2 THR 86 -6.964 -13.835 -3.006 685 2HG2 THR 86 2HG2 THR 86 -5.354 -14.429 -2.536 686 3HG2 THR 86 3HG2 THR 86 -5.523 -12.901 -3.437 687 H LEU 87 H LEU 87 -6.103 -11.246 -5.635 688 HA LEU 87 HA LEU 87 -8.973 -10.882 -5.127 689 1HB LEU 87 1HB LEU 87 -6.575 -9.088 -5.492 690 2HB LEU 87 2HB LEU 87 -8.170 -8.453 -5.866 691 HG LEU 87 HG LEU 87 -9.016 -8.918 -3.678 692 1HD1 LEU 87 1HD1 LEU 87 -7.729 -10.945 -3.058 693 2HD1 LEU 87 2HD1 LEU 87 -6.237 -9.985 -3.009 694 3HD1 LEU 87 3HD1 LEU 87 -7.531 -9.682 -1.837 695 1HD2 LEU 87 1HD2 LEU 87 -6.327 -7.476 -3.681 696 2HD2 LEU 87 2HD2 LEU 87 -7.921 -6.778 -4.048 697 3HD2 LEU 87 3HD2 LEU 87 -7.547 -7.322 -2.401 698 H SER 88 H SER 88 -6.727 -10.001 -7.787 699 HA SER 88 HA SER 88 -6.966 -9.770 -9.980 700 1HB SER 88 1HB SER 88 -8.041 -12.039 -9.930 701 2HB SER 88 2HB SER 88 -9.627 -11.237 -9.934 702 HG SER 88 HG SER 88 -8.860 -10.129 -11.858 703 H GLN 89 H GLN 89 -9.764 -8.834 -7.998 704 HA GLN 89 HA GLN 89 -10.433 -6.620 -9.832 705 1HB GLN 89 1HB GLN 89 -11.742 -7.606 -7.290 706 2HB GLN 89 2HB GLN 89 -12.293 -6.238 -8.276 707 1HG GLN 89 1HG GLN 89 -12.601 -7.750 -10.215 708 2HG GLN 89 2HG GLN 89 -12.078 -9.131 -9.233 709 1HE2 GLN 89 2HE2 GLN 89 -14.480 -9.397 -10.410 710 2HE2 GLN 89 1HE2 GLN 89 -15.774 -9.219 -9.243 711 HA PRO 90 HA PRO 90 -7.575 -4.382 -7.189 712 1HB PRO 90 1HB PRO 90 -7.671 -1.900 -8.313 713 2HB PRO 90 2HB PRO 90 -7.043 -3.330 -9.186 714 1HG PRO 90 1HG PRO 90 -9.842 -2.196 -9.393 715 2HG PRO 90 2HG PRO 90 -8.698 -2.542 -10.721 716 1HD PRO 90 1HD PRO 90 -10.588 -4.342 -9.960 717 2HD PRO 90 2HD PRO 90 -8.949 -4.882 -10.445 718 H LYS 91 H LYS 91 -8.378 -4.337 -5.122 719 HA LYS 91 HA LYS 91 -10.729 -2.717 -4.394 720 1HB LYS 91 1HB LYS 91 -10.408 -4.944 -3.448 721 2HB LYS 91 2HB LYS 91 -8.855 -4.464 -2.745 722 1HG LYS 91 1HG LYS 91 -9.985 -2.841 -1.281 723 2HG LYS 91 2HG LYS 91 -11.536 -3.175 -2.081 724 1HD LYS 91 1HD LYS 91 -11.422 -5.539 -1.299 725 2HD LYS 91 2HD LYS 91 -9.852 -5.214 -0.549 726 1HE LYS 91 1HE LYS 91 -11.610 -5.191 1.145 727 2HE LYS 91 2HE LYS 91 -10.895 -3.578 0.986 728 1HZ LYS 91 1HZ LYS 91 -13.422 -4.465 -0.231 729 2HZ LYS 91 2HZ LYS 91 -13.282 -3.516 1.109 730 3HZ LYS 91 3HZ LYS 91 -12.773 -2.955 -0.353 731 H ILE 92 H ILE 92 -10.316 -0.518 -4.361 732 HA ILE 92 HA ILE 92 -7.648 0.450 -3.746 733 HB ILE 92 HB ILE 92 -10.121 2.125 -4.230 734 1HG1 ILE 92 1HG1 ILE 92 -10.074 0.667 -6.129 735 2HG1 ILE 92 2HG1 ILE 92 -9.460 2.247 -6.593 736 1HG2 ILE 92 1HG2 ILE 92 -8.174 3.293 -3.332 737 2HG2 ILE 92 2HG2 ILE 92 -7.120 2.576 -4.559 738 3HG2 ILE 92 3HG2 ILE 92 -8.387 3.727 -5.037 739 1HD1 ILE 92 1HD1 ILE 92 -7.129 1.375 -6.507 740 2HD1 ILE 92 2HD1 ILE 92 -7.764 -0.228 -6.052 741 3HD1 ILE 92 3HD1 ILE 92 -8.155 0.472 -7.629 742 H VAL 93 H VAL 93 -7.225 -0.064 -1.624 743 HA VAL 93 HA VAL 93 -9.047 0.611 0.541 744 HB VAL 93 HB VAL 93 -6.154 -0.332 0.496 745 1HG1 VAL 93 1HG1 VAL 93 -8.071 0.055 2.841 746 2HG1 VAL 93 2HG1 VAL 93 -6.533 -0.823 2.924 747 3HG1 VAL 93 3HG1 VAL 93 -6.533 0.907 2.579 748 1HG2 VAL 93 1HG2 VAL 93 -8.773 -1.767 1.145 749 2HG2 VAL 93 2HG2 VAL 93 -7.802 -2.004 -0.323 750 3HG2 VAL 93 3HG2 VAL 93 -7.148 -2.470 1.253 751 H LYS 94 H LYS 94 -9.358 2.640 1.187 752 HA LYS 94 HA LYS 94 -7.519 4.822 0.663 753 1HB LYS 94 1HB LYS 94 -10.013 4.583 2.390 754 2HB LYS 94 2HB LYS 94 -9.115 6.087 2.118 755 1HG LYS 94 1HG LYS 94 -9.481 5.863 -0.327 756 2HG LYS 94 2HG LYS 94 -10.456 4.402 -0.046 757 1HD LYS 94 1HD LYS 94 -11.979 5.755 1.422 758 2HD LYS 94 2HD LYS 94 -11.054 7.205 1.011 759 1HE LYS 94 1HE LYS 94 -12.639 5.435 -0.911 760 2HE LYS 94 2HE LYS 94 -13.083 7.061 -0.355 761 1HZ LYS 94 1HZ LYS 94 -11.115 7.895 -1.453 762 2HZ LYS 94 2HZ LYS 94 -10.745 6.391 -2.000 763 3HZ LYS 94 3HZ LYS 94 -12.120 7.136 -2.516 764 H TRP 95 H TRP 95 -6.257 5.936 2.119 765 HA TRP 95 HA TRP 95 -5.495 4.573 4.654 766 1HB TRP 95 1HB TRP 95 -3.616 5.279 3.327 767 2HB TRP 95 2HB TRP 95 -4.359 6.820 2.999 768 HD1 TRP 95 HD1 TRP 95 -3.183 5.061 6.278 769 HE1 TRP 95 HE1 TRP 95 -1.947 6.863 7.694 770 HE3 TRP 95 HE3 TRP 95 -3.705 9.088 3.211 771 HZ2 TRP 95 HZ2 TRP 95 -1.895 9.744 7.788 772 HZ3 TRP 95 HZ3 TRP 95 -2.970 11.335 3.947 773 HH2 TRP 95 HH2 TRP 95 -2.322 11.702 6.299 774 H ASP 96 H ASP 96 -6.487 5.238 6.477 775 HA ASP 96 HA ASP 96 -7.631 7.997 6.657 776 1HB ASP 96 1HB ASP 96 -8.922 5.440 7.534 777 2HB ASP 96 2HB ASP 96 -9.459 7.096 7.883 778 H ARG 97 H ARG 97 -5.442 8.150 7.503 779 HA ARG 97 HA ARG 97 -3.896 8.401 9.153 780 1HB ARG 97 1HB ARG 97 -5.798 9.855 9.849 781 2HB ARG 97 2HB ARG 97 -6.292 8.608 11.005 782 1HG ARG 97 1HG ARG 97 -4.031 8.740 12.077 783 2HG ARG 97 2HG ARG 97 -3.558 9.990 10.913 784 1HD ARG 97 1HD ARG 97 -5.861 10.218 12.897 785 2HD ARG 97 2HD ARG 97 -4.238 10.905 13.117 786 HE ARG 97 HE ARG 97 -5.275 11.787 10.621 787 1HH1 ARG 97 1HH2 ARG 97 -5.811 12.284 14.093 788 2HH1 ARG 97 2HH2 ARG 97 -6.425 13.906 13.896 789 1HH2 ARG 97 1HH1 ARG 97 -6.092 13.905 10.370 790 2HH2 ARG 97 2HH1 ARG 97 -6.586 14.833 11.763 791 H ASP 98 H ASP 98 -3.023 6.353 8.910 792 HA ASP 98 HA ASP 98 -2.112 4.452 9.501 793 1HB ASP 98 1HB ASP 98 -1.537 6.184 11.267 794 2HB ASP 98 2HB ASP 98 -2.664 5.357 12.323 795 H MET 99 H MET 99 -3.600 2.991 8.635 796 HA MET 99 HA MET 99 -5.303 1.486 10.558 797 1HB MET 99 1HB MET 99 -6.066 2.395 7.745 798 2HB MET 99 2HB MET 99 -6.969 1.220 8.708 799 1HG MET 99 1HG MET 99 -6.488 4.147 9.370 800 2HG MET 99 2HG MET 99 -7.995 3.434 8.807 801 1HE MET 99 1HE MET 99 -9.435 1.743 10.162 802 2HE MET 99 2HE MET 99 -8.097 0.701 10.711 803 3HE MET 99 3HE MET 99 -9.226 1.395 11.894 Start of MODEL 12 1 1H MET 0 1H MET 0 -8.339 -20.881 -5.628 2 2H MET 0 2H MET 0 -7.733 -20.132 -4.291 3 3H MET 0 3H MET 0 -6.943 -19.997 -5.734 4 HA MET 0 HA MET 0 -7.286 -22.414 -4.138 5 1HB MET 0 1HB MET 0 -5.768 -22.039 -6.759 6 2HB MET 0 2HB MET 0 -5.766 -23.497 -5.748 7 1HG MET 0 1HG MET 0 -8.261 -23.626 -6.025 8 2HG MET 0 2HG MET 0 -8.156 -22.296 -7.192 9 1HE MET 0 1HE MET 0 -9.439 -23.707 -8.972 10 2HE MET 0 2HE MET 0 -9.008 -25.382 -9.396 11 3HE MET 0 3HE MET 0 -9.578 -24.998 -7.753 12 H ILE 1 H ILE 1 -5.647 -22.885 -2.777 13 HA ILE 1 HA ILE 1 -4.175 -22.336 -1.211 14 HB ILE 1 HB ILE 1 -3.003 -23.617 -2.991 15 1HG1 ILE 1 1HG1 ILE 1 -0.661 -23.119 -2.016 16 2HG1 ILE 1 2HG1 ILE 1 -1.492 -21.992 -0.942 17 1HG2 ILE 1 1HG2 ILE 1 -1.653 -20.983 -3.657 18 2HG2 ILE 1 2HG2 ILE 1 -1.186 -22.598 -4.218 19 3HG2 ILE 1 3HG2 ILE 1 -2.742 -21.927 -4.699 20 1HD1 ILE 1 1HD1 ILE 1 -2.960 -23.900 -0.176 21 2HD1 ILE 1 2HD1 ILE 1 -2.046 -24.976 -1.251 22 3HD1 ILE 1 3HD1 ILE 1 -1.234 -24.183 0.111 23 H GLN 2 H GLN 2 -5.710 -20.136 -1.796 24 HA GLN 2 HA GLN 2 -4.052 -17.835 -2.300 25 1HB GLN 2 1HB GLN 2 -6.027 -16.577 -2.416 26 2HB GLN 2 2HB GLN 2 -6.196 -18.067 -3.350 27 1HG GLN 2 1HG GLN 2 -7.575 -17.327 -0.733 28 2HG GLN 2 2HG GLN 2 -8.277 -17.500 -2.329 29 1HE2 GLN 2 2HE2 GLN 2 -7.379 -19.170 0.559 30 2HE2 GLN 2 1HE2 GLN 2 -7.895 -20.769 0.054 31 H ARG 3 H ARG 3 -2.712 -17.225 -0.711 32 HA ARG 3 HA ARG 3 -3.689 -16.758 2.046 33 1HB ARG 3 1HB ARG 3 -1.045 -16.509 0.636 34 2HB ARG 3 2HB ARG 3 -1.350 -15.661 2.162 35 1HG ARG 3 1HG ARG 3 -0.220 -17.867 2.415 36 2HG ARG 3 2HG ARG 3 -1.683 -17.646 3.386 37 1HD ARG 3 1HD ARG 3 -2.992 -19.012 1.914 38 2HD ARG 3 2HD ARG 3 -1.682 -19.093 0.713 39 HE ARG 3 HE ARG 3 -0.551 -20.134 2.992 40 1HH1 ARG 3 1HH2 ARG 3 -3.406 -20.885 1.032 41 2HH1 ARG 3 2HH2 ARG 3 -3.440 -22.572 1.483 42 1HH2 ARG 3 1HH1 ARG 3 -0.569 -22.362 3.548 43 2HH2 ARG 3 2HH1 ARG 3 -1.791 -23.425 2.899 44 H THR 4 H THR 4 -4.737 -14.928 2.519 45 HA THR 4 HA THR 4 -5.241 -12.977 0.511 46 HB THR 4 HB THR 4 -5.961 -12.896 3.468 47 HG1 THR 4 HG1 THR 4 -7.195 -14.247 1.304 48 1HG2 THR 4 1HG2 THR 4 -7.988 -11.740 2.666 49 2HG2 THR 4 2HG2 THR 4 -6.538 -10.825 2.217 50 3HG2 THR 4 3HG2 THR 4 -7.392 -11.805 0.997 51 HA PRO 5 HA PRO 5 -1.834 -10.231 1.704 52 1HB PRO 5 1HB PRO 5 -2.651 -7.890 0.494 53 2HB PRO 5 2HB PRO 5 -1.949 -9.270 -0.394 54 1HG PRO 5 1HG PRO 5 -4.865 -8.573 -0.026 55 2HG PRO 5 2HG PRO 5 -4.020 -9.047 -1.528 56 1HD PRO 5 1HD PRO 5 -5.460 -10.825 -0.054 57 2HD PRO 5 2HD PRO 5 -3.943 -11.328 -0.861 58 H LYS 6 H LYS 6 -1.698 -9.683 3.784 59 HA LYS 6 HA LYS 6 -3.809 -8.240 5.217 60 1HB LYS 6 1HB LYS 6 -2.306 -10.042 6.229 61 2HB LYS 6 2HB LYS 6 -0.978 -8.874 6.119 62 1HG LYS 6 1HG LYS 6 -2.526 -7.241 7.372 63 2HG LYS 6 2HG LYS 6 -3.603 -8.620 7.640 64 1HD LYS 6 1HD LYS 6 -1.819 -9.818 8.851 65 2HD LYS 6 2HD LYS 6 -0.662 -8.532 8.468 66 1HE LYS 6 1HE LYS 6 -1.457 -8.332 10.780 67 2HE LYS 6 2HE LYS 6 -1.910 -6.916 9.818 68 1HZ LYS 6 1HZ LYS 6 -3.682 -9.173 10.454 69 2HZ LYS 6 2HZ LYS 6 -3.691 -7.706 11.206 70 3HZ LYS 6 3HZ LYS 6 -4.101 -7.816 9.615 71 H ILE 7 H ILE 7 -4.023 -6.177 4.590 72 HA ILE 7 HA ILE 7 -1.749 -4.562 3.648 73 HB ILE 7 HB ILE 7 -4.626 -3.665 3.772 74 1HG1 ILE 7 1HG1 ILE 7 -4.455 -4.485 1.198 75 2HG1 ILE 7 2HG1 ILE 7 -3.529 -5.780 1.947 76 1HG2 ILE 7 1HG2 ILE 7 -2.743 -2.095 3.189 77 2HG2 ILE 7 2HG2 ILE 7 -2.429 -3.092 1.761 78 3HG2 ILE 7 3HG2 ILE 7 -3.982 -2.261 1.934 79 1HD1 ILE 7 1HD1 ILE 7 -6.372 -4.877 2.665 80 2HD1 ILE 7 2HD1 ILE 7 -5.941 -6.318 1.732 81 3HD1 ILE 7 3HD1 ILE 7 -5.537 -6.216 3.453 82 H GLN 8 H GLN 8 -0.731 -3.041 5.129 83 HA GLN 8 HA GLN 8 -2.472 -1.883 7.230 84 1HB GLN 8 1HB GLN 8 -0.247 -1.768 8.472 85 2HB GLN 8 2HB GLN 8 -1.229 -3.232 8.586 86 1HG GLN 8 1HG GLN 8 1.125 -2.931 6.701 87 2HG GLN 8 2HG GLN 8 1.289 -3.513 8.363 88 1HE2 GLN 8 2HE2 GLN 8 1.885 -4.876 5.772 89 2HE2 GLN 8 1HE2 GLN 8 0.904 -6.331 5.780 90 H VAL 9 H VAL 9 -2.900 -0.036 6.213 91 HA VAL 9 HA VAL 9 -0.800 1.421 4.753 92 HB VAL 9 HB VAL 9 -3.768 2.013 5.033 93 1HG1 VAL 9 1HG1 VAL 9 -2.460 4.008 4.492 94 2HG1 VAL 9 2HG1 VAL 9 -1.562 3.134 3.252 95 3HG1 VAL 9 3HG1 VAL 9 -3.303 3.457 3.040 96 1HG2 VAL 9 1HG2 VAL 9 -2.218 0.520 2.879 97 2HG2 VAL 9 2HG2 VAL 9 -3.576 -0.069 3.869 98 3HG2 VAL 9 3HG2 VAL 9 -3.851 1.184 2.656 99 H TYR 10 H TYR 10 0.509 2.380 6.263 100 HA TYR 10 HA TYR 10 -0.781 4.179 8.306 101 1HB TYR 10 1HB TYR 10 1.147 3.854 9.670 102 2HB TYR 10 2HB TYR 10 0.316 2.352 9.308 103 HD1 TYR 10 HD1 TYR 10 1.384 0.573 8.060 104 HD2 TYR 10 HD2 TYR 10 3.417 4.307 8.767 105 HE1 TYR 10 HE1 TYR 10 3.541 -0.484 7.466 106 HE2 TYR 10 HE2 TYR 10 5.566 3.248 8.113 107 HH TYR 10 HH TYR 10 5.789 -0.169 7.119 108 H SER 11 H SER 11 0.485 6.093 8.913 109 HA SER 11 HA SER 11 2.161 7.225 6.731 110 1HB SER 11 1HB SER 11 0.250 8.631 7.232 111 2HB SER 11 2HB SER 11 0.713 8.691 8.951 112 HG SER 11 HG SER 11 1.605 10.472 7.986 113 H ARG 12 H ARG 12 4.340 7.651 7.307 114 HA ARG 12 HA ARG 12 5.302 6.819 9.984 115 1HB ARG 12 1HB ARG 12 6.681 7.805 7.463 116 2HB ARG 12 2HB ARG 12 7.520 7.674 9.019 117 1HG ARG 12 1HG ARG 12 6.941 5.300 9.193 118 2HG ARG 12 2HG ARG 12 6.077 5.392 7.645 119 1HD ARG 12 1HD ARG 12 8.154 5.949 6.483 120 2HD ARG 12 2HD ARG 12 9.046 5.987 8.019 121 HE ARG 12 HE ARG 12 7.939 3.491 8.039 122 1HH1 ARG 12 1HH2 ARG 12 10.031 5.190 5.724 123 2HH1 ARG 12 2HH2 ARG 12 10.720 3.720 5.084 124 1HH2 ARG 12 1HH1 ARG 12 8.853 1.587 7.205 125 2HH2 ARG 12 2HH1 ARG 12 10.066 1.658 5.954 126 H HIS 13 H HIS 13 5.622 9.770 7.965 127 HA HIS 13 HA HIS 13 6.456 11.369 10.185 128 1HB HIS 13 1HB HIS 13 5.561 12.035 7.364 129 2HB HIS 13 2HB HIS 13 6.213 13.228 8.497 130 HD2 HIS 13 HD2 HIS 13 8.239 13.605 6.557 131 HE1 HIS 13 HE1 HIS 13 10.205 9.968 7.459 132 HE2 HIS 13 HE2 HIS 13 10.431 12.206 6.248 133 HA PRO 14 HA PRO 14 2.448 12.663 11.628 134 1HB PRO 14 1HB PRO 14 2.914 15.086 12.768 135 2HB PRO 14 2HB PRO 14 3.595 13.571 13.425 136 1HG PRO 14 1HG PRO 14 4.973 15.609 11.675 137 2HG PRO 14 2HG PRO 14 5.601 14.810 13.141 138 1HD PRO 14 1HD PRO 14 6.167 13.985 10.572 139 2HD PRO 14 2HD PRO 14 6.122 12.849 11.941 140 H ALA 15 H ALA 15 0.816 13.238 10.250 141 HA ALA 15 HA ALA 15 1.332 14.598 7.836 142 1HB ALA 15 1HB ALA 15 -1.318 13.917 9.147 143 2HB ALA 15 2HB ALA 15 -1.082 14.383 7.447 144 3HB ALA 15 3HB ALA 15 -0.366 12.884 8.064 145 H GLU 16 H GLU 16 1.629 16.664 7.491 146 HA GLU 16 HA GLU 16 0.452 18.769 9.270 147 1HB GLU 16 1HB GLU 16 3.211 18.377 8.081 148 2HB GLU 16 2HB GLU 16 2.629 19.985 8.551 149 1HG GLU 16 1HG GLU 16 2.319 19.290 10.847 150 2HG GLU 16 2HG GLU 16 2.704 17.613 10.455 151 H ASN 17 H ASN 17 -0.795 20.201 8.249 152 HA ASN 17 HA ASN 17 -1.562 19.997 5.593 153 1HB ASN 17 1HB ASN 17 -2.866 21.006 7.399 154 2HB ASN 17 2HB ASN 17 -1.808 22.425 7.391 155 1HD2 ASN 17 2HD2 ASN 17 -4.514 22.786 7.045 156 2HD2 ASN 17 1HD2 ASN 17 -4.864 23.215 5.384 157 H GLY 18 H GLY 18 -0.352 20.307 3.847 158 1HA GLY 18 1HA GLY 18 0.814 21.322 2.204 159 2HA GLY 18 2HA GLY 18 0.806 22.833 3.128 160 H LYS 19 H LYS 19 2.160 19.543 3.815 161 HA LYS 19 HA LYS 19 4.935 20.530 3.645 162 1HB LYS 19 1HB LYS 19 4.171 21.295 5.775 163 2HB LYS 19 2HB LYS 19 3.761 19.606 6.183 164 1HG LYS 19 1HG LYS 19 6.048 18.933 6.173 165 2HG LYS 19 2HG LYS 19 6.582 20.460 5.415 166 1HD LYS 19 1HD LYS 19 6.109 21.734 7.357 167 2HD LYS 19 2HD LYS 19 5.048 20.478 8.001 168 1HE LYS 19 1HE LYS 19 7.131 20.569 9.293 169 2HE LYS 19 2HE LYS 19 6.958 19.010 8.473 170 1HZ LYS 19 1HZ LYS 19 8.601 21.259 7.539 171 2HZ LYS 19 2HZ LYS 19 9.159 19.892 8.274 172 3HZ LYS 19 3HZ LYS 19 8.452 19.796 6.789 173 H SER 20 H SER 20 5.561 19.031 2.480 174 HA SER 20 HA SER 20 4.808 16.580 1.823 175 1HB SER 20 1HB SER 20 6.669 17.784 0.758 176 2HB SER 20 2HB SER 20 7.736 17.088 2.004 177 HG SER 20 HG SER 20 7.063 15.018 1.286 178 H ASN 21 H ASN 21 4.855 14.537 2.612 179 HA ASN 21 HA ASN 21 5.873 14.045 5.370 180 1HB ASN 21 1HB ASN 21 3.442 14.774 4.703 181 2HB ASN 21 2HB ASN 21 3.245 13.090 4.274 182 1HD2 ASN 21 2HD2 ASN 21 4.504 15.272 6.827 183 2HD2 ASN 21 1HD2 ASN 21 3.883 14.382 8.198 184 H PHE 22 H PHE 22 4.413 11.333 5.236 185 HA PHE 22 HA PHE 22 5.596 9.938 3.029 186 1HB PHE 22 1HB PHE 22 7.128 10.027 5.498 187 2HB PHE 22 2HB PHE 22 6.636 8.378 5.152 188 HD1 PHE 22 HD1 PHE 22 7.048 7.402 2.815 189 HD2 PHE 22 HD2 PHE 22 8.977 10.975 4.264 190 HE1 PHE 22 HE1 PHE 22 8.757 7.218 1.019 191 HE2 PHE 22 HE2 PHE 22 10.685 10.773 2.484 192 HZ PHE 22 HZ PHE 22 10.570 8.903 0.851 193 H LEU 23 H LEU 23 4.170 8.541 2.412 194 HA LEU 23 HA LEU 23 2.248 7.257 4.284 195 1HB LEU 23 1HB LEU 23 1.256 8.720 2.663 196 2HB LEU 23 2HB LEU 23 2.143 7.951 1.337 197 HG LEU 23 HG LEU 23 0.741 5.911 1.742 198 1HD1 LEU 23 1HD1 LEU 23 -0.600 7.735 3.795 199 2HD1 LEU 23 2HD1 LEU 23 -1.247 6.177 3.222 200 3HD1 LEU 23 3HD1 LEU 23 0.250 6.219 4.153 201 1HD2 LEU 23 1HD2 LEU 23 -0.858 8.516 1.476 202 2HD2 LEU 23 2HD2 LEU 23 0.067 7.787 0.162 203 3HD2 LEU 23 3HD2 LEU 23 -1.329 6.926 0.841 204 H ASN 24 H ASN 24 2.007 5.033 4.232 205 HA ASN 24 HA ASN 24 4.052 3.426 2.749 206 1HB ASN 24 1HB ASN 24 3.418 3.446 5.701 207 2HB ASN 24 2HB ASN 24 4.495 2.312 4.882 208 1HD2 ASN 24 2HD2 ASN 24 6.642 2.843 4.891 209 2HD2 ASN 24 1HD2 ASN 24 7.275 4.448 5.193 210 H CYS 25 H CYS 25 2.657 2.231 1.466 211 HA CYS 25 HA CYS 25 0.244 1.004 2.660 212 1HB CYS 25 1HB CYS 25 1.361 0.681 -0.150 213 2HB CYS 25 2HB CYS 25 -0.250 0.259 0.412 214 H TYR 26 H TYR 26 1.893 -0.217 4.205 215 HA TYR 26 HA TYR 26 3.654 -2.146 2.961 216 1HB TYR 26 1HB TYR 26 4.164 -1.186 5.123 217 2HB TYR 26 2HB TYR 26 2.652 -1.739 5.781 218 HD1 TYR 26 HD1 TYR 26 5.032 -3.781 3.680 219 HD2 TYR 26 HD2 TYR 26 3.560 -2.985 7.643 220 HE1 TYR 26 HE1 TYR 26 5.866 -5.972 4.417 221 HE2 TYR 26 HE2 TYR 26 4.339 -5.216 8.376 222 HH TYR 26 HH TYR 26 5.366 -7.193 7.750 223 H VAL 27 H VAL 27 3.235 -4.305 2.445 224 HA VAL 27 HA VAL 27 0.684 -5.467 3.392 225 HB VAL 27 HB VAL 27 1.674 -5.934 0.550 226 1HG1 VAL 27 1HG1 VAL 27 0.080 -7.583 1.737 227 2HG1 VAL 27 2HG1 VAL 27 -1.088 -6.264 1.804 228 3HG1 VAL 27 3HG1 VAL 27 -0.517 -6.869 0.233 229 1HG2 VAL 27 1HG2 VAL 27 -0.354 -3.934 1.521 230 2HG2 VAL 27 2HG2 VAL 27 1.121 -3.601 0.594 231 3HG2 VAL 27 3HG2 VAL 27 -0.199 -4.502 -0.169 232 H SER 28 H SER 28 0.841 -7.619 3.931 233 HA SER 28 HA SER 28 3.015 -9.216 2.971 234 1HB SER 28 1HB SER 28 3.835 -9.930 5.221 235 2HB SER 28 2HB SER 28 4.197 -8.244 4.978 236 HG SER 28 HG SER 28 2.201 -7.813 6.145 237 H GLY 29 H GLY 29 2.821 -11.520 4.190 238 1HA GLY 29 1HA GLY 29 1.407 -13.130 5.155 239 2HA GLY 29 2HA GLY 29 -0.019 -12.159 4.791 240 H PHE 30 H PHE 30 0.440 -11.585 2.084 241 HA PHE 30 HA PHE 30 -0.888 -13.748 0.951 242 1HB PHE 30 1HB PHE 30 -0.735 -12.482 -1.144 243 2HB PHE 30 2HB PHE 30 -1.188 -11.496 0.187 244 HD1 PHE 30 HD1 PHE 30 0.314 -9.648 1.006 245 HD2 PHE 30 HD2 PHE 30 1.516 -12.291 -2.186 246 HE1 PHE 30 HE1 PHE 30 2.279 -8.227 0.545 247 HE2 PHE 30 HE2 PHE 30 3.406 -10.796 -2.709 248 HZ PHE 30 HZ PHE 30 3.830 -8.806 -1.302 249 H HIS 31 H HIS 31 -0.381 -14.865 -1.081 250 HA HIS 31 HA HIS 31 2.196 -15.038 -2.175 251 1HB HIS 31 1HB HIS 31 3.093 -17.020 -1.574 252 2HB HIS 31 2HB HIS 31 2.368 -16.598 -0.041 253 HD2 HIS 31 HD2 HIS 31 1.332 -18.788 -3.192 254 HE1 HIS 31 HE1 HIS 31 0.357 -20.852 0.357 255 HE2 HIS 31 HE2 HIS 31 0.316 -20.980 -2.190 256 HA PRO 32 HA PRO 32 2.942 -16.838 -3.871 257 1HB PRO 32 1HB PRO 32 3.067 -17.134 -6.569 258 2HB PRO 32 2HB PRO 32 2.199 -18.288 -5.536 259 1HG PRO 32 1HG PRO 32 1.017 -15.899 -6.979 260 2HG PRO 32 2HG PRO 32 0.529 -17.614 -7.159 261 1HD PRO 32 1HD PRO 32 -0.754 -15.975 -5.415 262 2HD PRO 32 2HD PRO 32 -0.407 -17.667 -4.975 263 H SER 33 H SER 33 4.302 -15.783 -6.104 264 HA SER 33 HA SER 33 5.077 -13.379 -4.785 265 1HB SER 33 1HB SER 33 7.077 -13.652 -6.216 266 2HB SER 33 2HB SER 33 6.594 -15.219 -5.564 267 HG SER 33 HG SER 33 5.512 -15.624 -7.545 268 H ASP 34 H ASP 34 2.532 -12.982 -6.288 269 HA ASP 34 HA ASP 34 3.420 -11.020 -8.388 270 1HB ASP 34 1HB ASP 34 2.732 -13.202 -9.234 271 2HB ASP 34 2HB ASP 34 1.145 -13.001 -8.502 272 H ILE 35 H ILE 35 3.095 -9.225 -6.861 273 HA ILE 35 HA ILE 35 0.232 -8.438 -6.823 274 HB ILE 35 HB ILE 35 0.958 -9.150 -4.665 275 1HG1 ILE 35 1HG1 ILE 35 0.572 -6.155 -4.519 276 2HG1 ILE 35 2HG1 ILE 35 -0.731 -7.259 -4.887 277 1HG2 ILE 35 1HG2 ILE 35 2.880 -6.843 -4.701 278 2HG2 ILE 35 2HG2 ILE 35 2.550 -7.951 -3.348 279 3HG2 ILE 35 3HG2 ILE 35 3.313 -8.584 -4.810 280 1HD1 ILE 35 1HD1 ILE 35 -0.143 -8.517 -2.734 281 2HD1 ILE 35 2HD1 ILE 35 0.858 -7.134 -2.306 282 3HD1 ILE 35 3HD1 ILE 35 -0.870 -6.901 -2.562 283 H GLU 36 H GLU 36 -0.255 -6.283 -6.979 284 HA GLU 36 HA GLU 36 1.789 -4.392 -8.009 285 1HB GLU 36 1HB GLU 36 -1.058 -4.563 -9.023 286 2HB GLU 36 2HB GLU 36 0.344 -3.723 -9.704 287 1HG GLU 36 1HG GLU 36 1.384 -6.075 -9.942 288 2HG GLU 36 2HG GLU 36 -0.223 -6.697 -9.605 289 H VAL 37 H VAL 37 1.712 -2.422 -6.945 290 HA VAL 37 HA VAL 37 -0.718 -1.612 -5.470 291 HB VAL 37 HB VAL 37 2.035 -1.914 -4.219 292 1HG1 VAL 37 1HG1 VAL 37 0.626 -0.030 -3.231 293 2HG1 VAL 37 2HG1 VAL 37 -0.548 -1.280 -2.756 294 3HG1 VAL 37 3HG1 VAL 37 1.095 -1.320 -2.113 295 1HG2 VAL 37 1HG2 VAL 37 -0.494 -3.582 -3.982 296 2HG2 VAL 37 2HG2 VAL 37 1.164 -4.094 -4.394 297 3HG2 VAL 37 3HG2 VAL 37 0.755 -3.598 -2.742 298 H ASP 38 H ASP 38 -1.043 0.145 -6.784 299 HA ASP 38 HA ASP 38 1.067 2.246 -6.928 300 1HB ASP 38 1HB ASP 38 -1.761 2.198 -8.107 301 2HB ASP 38 2HB ASP 38 -0.628 3.532 -8.186 302 H LEU 39 H LEU 39 0.522 4.359 -6.081 303 HA LEU 39 HA LEU 39 -1.540 4.410 -3.915 304 1HB LEU 39 1HB LEU 39 0.963 6.048 -4.410 305 2HB LEU 39 2HB LEU 39 -0.328 6.507 -3.274 306 HG LEU 39 HG LEU 39 0.225 3.835 -2.618 307 1HD1 LEU 39 1HD1 LEU 39 2.870 5.249 -3.099 308 2HD1 LEU 39 2HD1 LEU 39 2.635 3.674 -2.314 309 3HD1 LEU 39 3HD1 LEU 39 2.241 3.875 -4.031 310 1HD2 LEU 39 1HD2 LEU 39 -0.279 5.473 -0.971 311 2HD2 LEU 39 2HD2 LEU 39 1.388 4.962 -0.603 312 3HD2 LEU 39 3HD2 LEU 39 1.079 6.494 -1.430 313 H LEU 40 H LEU 40 -3.087 6.062 -4.042 314 HA LEU 40 HA LEU 40 -3.335 7.503 -6.600 315 1HB LEU 40 1HB LEU 40 -4.061 4.899 -6.571 316 2HB LEU 40 2HB LEU 40 -5.510 5.575 -5.849 317 HG LEU 40 HG LEU 40 -5.802 5.274 -8.206 318 1HD1 LEU 40 1HD1 LEU 40 -6.837 7.307 -7.198 319 2HD1 LEU 40 2HD1 LEU 40 -5.444 8.263 -7.757 320 3HD1 LEU 40 3HD1 LEU 40 -6.502 7.467 -8.933 321 1HD2 LEU 40 1HD2 LEU 40 -3.365 5.352 -8.796 322 2HD2 LEU 40 2HD2 LEU 40 -4.418 6.238 -9.916 323 3HD2 LEU 40 3HD2 LEU 40 -3.449 7.125 -8.734 324 H LYS 41 H LYS 41 -4.022 9.522 -5.995 325 HA LYS 41 HA LYS 41 -5.408 9.920 -3.528 326 1HB LYS 41 1HB LYS 41 -4.796 11.771 -5.837 327 2HB LYS 41 2HB LYS 41 -5.150 12.272 -4.158 328 1HG LYS 41 1HG LYS 41 -3.165 11.699 -3.369 329 2HG LYS 41 2HG LYS 41 -2.794 10.433 -4.535 330 1HD LYS 41 1HD LYS 41 -1.407 12.295 -4.966 331 2HD LYS 41 2HD LYS 41 -2.497 12.101 -6.331 332 1HE LYS 41 1HE LYS 41 -3.918 13.888 -5.640 333 2HE LYS 41 2HE LYS 41 -3.115 14.000 -4.059 334 1HZ LYS 41 1HZ LYS 41 -1.889 14.638 -6.662 335 2HZ LYS 41 2HZ LYS 41 -2.433 15.735 -5.563 336 3HZ LYS 41 3HZ LYS 41 -1.154 14.768 -5.189 337 H ASN 42 H ASN 42 -6.837 12.188 -5.012 338 HA ASN 42 HA ASN 42 -9.493 11.188 -5.364 339 1HB ASN 42 1HB ASN 42 -9.697 13.462 -6.628 340 2HB ASN 42 2HB ASN 42 -9.232 13.519 -4.927 341 1HD2 ASN 42 2HD2 ASN 42 -7.749 13.544 -8.228 342 2HD2 ASN 42 1HD2 ASN 42 -6.351 14.482 -7.742 343 H GLY 43 H GLY 43 -6.768 11.581 -7.654 344 1HA GLY 43 1HA GLY 43 -7.692 9.534 -9.364 345 2HA GLY 43 2HA GLY 43 -8.303 11.070 -10.006 346 H GLU 44 H GLU 44 -5.239 10.399 -8.307 347 HA GLU 44 HA GLU 44 -3.573 10.693 -10.705 348 1HB GLU 44 1HB GLU 44 -4.210 13.014 -10.055 349 2HB GLU 44 2HB GLU 44 -3.638 12.717 -8.410 350 1HG GLU 44 1HG GLU 44 -1.330 12.361 -9.305 351 2HG GLU 44 2HG GLU 44 -1.935 12.681 -10.940 352 H ARG 45 H ARG 45 -1.535 9.726 -10.316 353 HA ARG 45 HA ARG 45 -1.202 8.487 -7.633 354 1HB ARG 45 1HB ARG 45 0.201 6.875 -8.555 355 2HB ARG 45 2HB ARG 45 -1.275 6.924 -9.519 356 1HG ARG 45 1HG ARG 45 -0.037 8.163 -11.298 357 2HG ARG 45 2HG ARG 45 1.432 8.098 -10.291 358 1HD ARG 45 1HD ARG 45 1.204 5.592 -10.206 359 2HD ARG 45 2HD ARG 45 -0.140 5.706 -11.360 360 HE ARG 45 HE ARG 45 2.010 7.062 -12.524 361 1HH1 ARG 45 1HH2 ARG 45 1.341 3.721 -11.411 362 2HH1 ARG 45 2HH2 ARG 45 2.427 3.013 -12.569 363 1HH2 ARG 45 1HH1 ARG 45 3.508 6.071 -13.956 364 2HH2 ARG 45 2HH1 ARG 45 3.681 4.335 -13.982 365 H ILE 46 H ILE 46 1.110 8.187 -6.901 366 HA ILE 46 HA ILE 46 2.042 10.841 -6.457 367 HB ILE 46 HB ILE 46 3.037 8.182 -5.364 368 1HG1 ILE 46 1HG1 ILE 46 0.511 8.164 -5.129 369 2HG1 ILE 46 2HG1 ILE 46 1.429 8.133 -3.640 370 1HG2 ILE 46 1HG2 ILE 46 2.934 11.031 -4.356 371 2HG2 ILE 46 2HG2 ILE 46 3.257 9.649 -3.289 372 3HG2 ILE 46 3HG2 ILE 46 4.361 9.998 -4.638 373 1HD1 ILE 46 1HD1 ILE 46 0.370 10.758 -4.687 374 2HD1 ILE 46 2HD1 ILE 46 -0.601 9.639 -3.716 375 3HD1 ILE 46 3HD1 ILE 46 0.928 10.267 -3.059 376 H GLU 47 H GLU 47 4.361 11.257 -6.410 377 HA GLU 47 HA GLU 47 5.674 10.532 -8.893 378 1HB GLU 47 1HB GLU 47 6.555 12.252 -6.536 379 2HB GLU 47 2HB GLU 47 7.511 11.983 -8.006 380 1HG GLU 47 1HG GLU 47 5.646 12.887 -9.381 381 2HG GLU 47 2HG GLU 47 4.729 13.235 -7.907 382 H LYS 48 H LYS 48 7.202 10.409 -5.609 383 HA LYS 48 HA LYS 48 8.927 8.263 -6.645 384 1HB LYS 48 1HB LYS 48 8.992 9.847 -4.068 385 2HB LYS 48 2HB LYS 48 10.148 8.605 -4.528 386 1HG LYS 48 1HG LYS 48 10.701 9.957 -6.603 387 2HG LYS 48 2HG LYS 48 9.577 11.191 -6.019 388 1HD LYS 48 1HD LYS 48 11.550 12.058 -5.266 389 2HD LYS 48 2HD LYS 48 11.026 11.178 -3.833 390 1HE LYS 48 1HE LYS 48 13.082 10.237 -5.909 391 2HE LYS 48 2HE LYS 48 13.443 10.920 -4.319 392 1HZ LYS 48 1HZ LYS 48 12.216 9.035 -3.369 393 2HZ LYS 48 2HZ LYS 48 12.135 8.361 -4.869 394 3HZ LYS 48 3HZ LYS 48 13.597 8.610 -4.159 395 H VAL 49 H VAL 49 6.939 6.829 -6.744 396 HA VAL 49 HA VAL 49 6.263 5.469 -4.220 397 HB VAL 49 HB VAL 49 5.761 4.618 -7.103 398 1HG1 VAL 49 1HG1 VAL 49 4.735 3.585 -4.416 399 2HG1 VAL 49 2HG1 VAL 49 4.082 3.101 -5.995 400 3HG1 VAL 49 3HG1 VAL 49 5.748 2.694 -5.567 401 1HG2 VAL 49 1HG2 VAL 49 3.978 6.018 -5.072 402 2HG2 VAL 49 2HG2 VAL 49 4.546 6.680 -6.622 403 3HG2 VAL 49 3HG2 VAL 49 3.414 5.320 -6.603 404 H GLU 50 H GLU 50 8.145 4.727 -3.270 405 HA GLU 50 HA GLU 50 10.035 3.102 -4.908 406 1HB GLU 50 1HB GLU 50 10.772 5.218 -3.593 407 2HB GLU 50 2HB GLU 50 10.533 4.217 -2.148 408 1HG GLU 50 1HG GLU 50 12.132 2.562 -3.017 409 2HG GLU 50 2HG GLU 50 12.375 3.569 -4.459 410 H HIS 51 H HIS 51 10.520 0.964 -4.067 411 HA HIS 51 HA HIS 51 9.107 0.134 -1.670 412 1HB HIS 51 1HB HIS 51 7.822 -1.660 -2.730 413 2HB HIS 51 2HB HIS 51 7.332 -0.090 -3.366 414 HD2 HIS 51 HD2 HIS 51 8.278 0.486 -6.023 415 HE1 HIS 51 HE1 HIS 51 8.778 -3.620 -6.921 416 HE2 HIS 51 HE2 HIS 51 8.639 -1.276 -7.928 417 H SER 52 H SER 52 9.654 -1.887 -0.885 418 HA SER 52 HA SER 52 12.424 -2.622 -1.269 419 1HB SER 52 1HB SER 52 11.213 -2.821 0.912 420 2HB SER 52 2HB SER 52 10.171 -4.069 0.195 421 HG SER 52 HG SER 52 11.971 -5.370 -0.083 422 H ASP 53 H ASP 53 13.183 -4.708 -1.973 423 HA ASP 53 HA ASP 53 12.063 -5.779 -4.360 424 1HB ASP 53 1HB ASP 53 14.437 -6.012 -3.744 425 2HB ASP 53 2HB ASP 53 13.992 -6.954 -2.311 426 H LEU 54 H LEU 54 10.985 -7.828 -4.665 427 HA LEU 54 HA LEU 54 8.910 -8.353 -2.750 428 1HB LEU 54 1HB LEU 54 8.505 -8.605 -5.080 429 2HB LEU 54 2HB LEU 54 9.706 -9.908 -5.191 430 HG LEU 54 HG LEU 54 8.406 -11.300 -3.640 431 1HD1 LEU 54 1HD1 LEU 54 6.462 -8.942 -3.502 432 2HD1 LEU 54 2HD1 LEU 54 6.053 -10.588 -3.007 433 3HD1 LEU 54 3HD1 LEU 54 7.298 -9.712 -2.131 434 1HD2 LEU 54 1HD2 LEU 54 6.706 -10.045 -5.796 435 2HD2 LEU 54 2HD2 LEU 54 7.913 -11.351 -6.008 436 3HD2 LEU 54 3HD2 LEU 54 6.456 -11.628 -5.015 437 H SER 55 H SER 55 9.367 -9.276 -0.831 438 HA SER 55 HA SER 55 11.407 -11.421 -0.567 439 1HB SER 55 1HB SER 55 10.911 -8.808 0.933 440 2HB SER 55 2HB SER 55 11.925 -10.118 1.530 441 HG SER 55 HG SER 55 13.035 -8.432 0.296 442 H PHE 56 H PHE 56 9.953 -13.123 -0.191 443 HA PHE 56 HA PHE 56 8.122 -12.977 2.095 444 1HB PHE 56 1HB PHE 56 7.709 -15.163 1.835 445 2HB PHE 56 2HB PHE 56 7.995 -14.684 0.160 446 HD1 PHE 56 HD1 PHE 56 8.336 -17.315 2.238 447 HD2 PHE 56 HD2 PHE 56 10.772 -14.905 -0.379 448 HE1 PHE 56 HE1 PHE 56 9.945 -19.197 1.989 449 HE2 PHE 56 HE2 PHE 56 12.495 -16.701 -0.412 450 HZ PHE 56 HZ PHE 56 12.023 -18.885 0.668 451 H SER 57 H SER 57 8.632 -14.379 4.040 452 HA SER 57 HA SER 57 11.400 -14.027 5.028 453 1HB SER 57 1HB SER 57 9.529 -13.653 6.562 454 2HB SER 57 2HB SER 57 8.875 -15.260 6.209 455 HG SER 57 HG SER 57 10.036 -15.745 7.901 456 H LYS 58 H LYS 58 10.629 -16.890 6.272 457 HA LYS 58 HA LYS 58 11.302 -18.630 3.939 458 1HB LYS 58 1HB LYS 58 11.474 -18.990 6.912 459 2HB LYS 58 2HB LYS 58 11.742 -20.276 5.715 460 1HG LYS 58 1HG LYS 58 13.483 -18.976 4.608 461 2HG LYS 58 2HG LYS 58 13.252 -17.624 5.731 462 1HD LYS 58 1HD LYS 58 13.849 -19.103 7.645 463 2HD LYS 58 2HD LYS 58 14.134 -20.442 6.522 464 1HE LYS 58 1HE LYS 58 15.648 -17.785 6.589 465 2HE LYS 58 2HE LYS 58 16.243 -19.342 7.188 466 1HZ LYS 58 1HZ LYS 58 16.119 -20.190 4.966 467 2HZ LYS 58 2HZ LYS 58 15.558 -18.747 4.397 468 3HZ LYS 58 3HZ LYS 58 17.080 -18.851 5.016 469 H ASP 59 H ASP 59 8.652 -17.594 5.905 470 HA ASP 59 HA ASP 59 7.657 -20.234 6.318 471 1HB ASP 59 1HB ASP 59 6.511 -17.576 7.254 472 2HB ASP 59 2HB ASP 59 6.282 -19.165 7.999 473 H TRP 60 H TRP 60 7.404 -19.771 3.649 474 HA TRP 60 HA TRP 60 6.041 -19.725 1.858 475 1HB TRP 60 1HB TRP 60 4.110 -21.062 3.765 476 2HB TRP 60 2HB TRP 60 4.164 -21.222 2.008 477 HD1 TRP 60 HD1 TRP 60 5.963 -22.248 5.183 478 HE1 TRP 60 HE1 TRP 60 7.575 -24.221 4.728 479 HE3 TRP 60 HE3 TRP 60 5.627 -22.427 0.080 480 HZ2 TRP 60 HZ2 TRP 60 8.579 -25.645 2.471 481 HZ3 TRP 60 HZ3 TRP 60 6.941 -24.094 -1.195 482 HH2 TRP 60 HH2 TRP 60 8.411 -25.711 -0.014 483 H SER 61 H SER 61 6.020 -17.348 2.101 484 HA SER 61 HA SER 61 3.302 -16.232 2.112 485 1HB SER 61 1HB SER 61 4.147 -16.180 4.504 486 2HB SER 61 2HB SER 61 5.493 -15.166 3.953 487 HG SER 61 HG SER 61 2.721 -14.595 3.685 488 H PHE 62 H PHE 62 4.184 -13.560 2.093 489 HA PHE 62 HA PHE 62 6.512 -13.028 0.584 490 1HB PHE 62 1HB PHE 62 3.914 -13.159 -0.970 491 2HB PHE 62 2HB PHE 62 4.990 -11.796 -1.245 492 HD1 PHE 62 HD1 PHE 62 7.489 -12.218 -1.612 493 HD2 PHE 62 HD2 PHE 62 4.396 -15.147 -2.221 494 HE1 PHE 62 HE1 PHE 62 9.112 -13.683 -2.695 495 HE2 PHE 62 HE2 PHE 62 6.020 -16.673 -3.222 496 HZ PHE 62 HZ PHE 62 8.392 -15.935 -3.564 497 H TYR 63 H TYR 63 6.849 -10.765 0.377 498 HA TYR 63 HA TYR 63 4.818 -8.857 0.972 499 1HB TYR 63 1HB TYR 63 5.698 -7.952 3.140 500 2HB TYR 63 2HB TYR 63 4.992 -9.549 3.259 501 HD1 TYR 63 HD1 TYR 63 6.053 -11.453 4.009 502 HD2 TYR 63 HD2 TYR 63 8.114 -7.725 3.404 503 HE1 TYR 63 HE1 TYR 63 7.872 -12.245 5.417 504 HE2 TYR 63 HE2 TYR 63 9.989 -8.503 4.741 505 HH TYR 63 HH TYR 63 10.890 -10.326 5.967 506 H LEU 64 H LEU 64 5.763 -6.718 1.472 507 HA LEU 64 HA LEU 64 8.403 -5.946 0.974 508 1HB LEU 64 1HB LEU 64 8.289 -4.968 -1.242 509 2HB LEU 64 2HB LEU 64 8.115 -6.707 -1.348 510 HG LEU 64 HG LEU 64 5.962 -4.603 -1.653 511 1HD1 LEU 64 1HD1 LEU 64 7.010 -6.644 -3.662 512 2HD1 LEU 64 2HD1 LEU 64 5.757 -5.439 -3.961 513 3HD1 LEU 64 3HD1 LEU 64 7.416 -4.910 -3.646 514 1HD2 LEU 64 1HD2 LEU 64 5.741 -7.629 -1.610 515 2HD2 LEU 64 2HD2 LEU 64 4.734 -6.445 -0.720 516 3HD2 LEU 64 3HD2 LEU 64 4.566 -6.646 -2.468 517 H LEU 65 H LEU 65 8.533 -3.586 1.166 518 HA LEU 65 HA LEU 65 6.044 -2.375 2.240 519 1HB LEU 65 1HB LEU 65 8.297 -2.856 3.547 520 2HB LEU 65 2HB LEU 65 8.855 -1.406 2.712 521 HG LEU 65 HG LEU 65 6.512 -1.718 4.648 522 1HD1 LEU 65 1HD1 LEU 65 9.075 -0.096 4.731 523 2HD1 LEU 65 2HD1 LEU 65 7.852 -0.210 6.016 524 3HD1 LEU 65 3HD1 LEU 65 8.798 -1.643 5.564 525 1HD2 LEU 65 1HD2 LEU 65 7.217 0.595 2.829 526 2HD2 LEU 65 2HD2 LEU 65 5.624 -0.087 3.193 527 3HD2 LEU 65 3HD2 LEU 65 6.464 0.884 4.407 528 H TYR 66 H TYR 66 5.282 -0.550 1.248 529 HA TYR 66 HA TYR 66 6.700 0.386 -1.189 530 1HB TYR 66 1HB TYR 66 3.699 0.088 -0.863 531 2HB TYR 66 2HB TYR 66 4.618 0.271 -2.346 532 HD1 TYR 66 HD1 TYR 66 4.837 -1.752 -3.664 533 HD2 TYR 66 HD2 TYR 66 4.180 -2.134 0.596 534 HE1 TYR 66 HE1 TYR 66 3.766 -3.952 -3.986 535 HE2 TYR 66 HE2 TYR 66 3.241 -4.342 0.248 536 HH TYR 66 HH TYR 66 2.416 -5.557 -3.013 537 H TYR 67 H TYR 67 7.492 2.246 -0.275 538 HA TYR 67 HA TYR 67 5.622 4.049 1.135 539 1HB TYR 67 1HB TYR 67 7.902 5.097 1.844 540 2HB TYR 67 2HB TYR 67 7.105 3.750 2.611 541 HD1 TYR 67 HD1 TYR 67 8.646 2.216 3.422 542 HD2 TYR 67 HD2 TYR 67 9.324 4.036 -0.394 543 HE1 TYR 67 HE1 TYR 67 10.356 0.486 2.903 544 HE2 TYR 67 HE2 TYR 67 11.041 2.321 -0.925 545 HH TYR 67 HH TYR 67 12.107 0.402 -0.218 546 H THR 68 H THR 68 5.437 6.071 0.639 547 HA THR 68 HA THR 68 6.992 7.342 -1.579 548 HB THR 68 HB THR 68 4.956 6.171 -2.289 549 HG1 THR 68 HG1 THR 68 4.562 7.808 -3.728 550 1HG2 THR 68 1HG2 THR 68 2.869 7.399 -2.128 551 2HG2 THR 68 2HG2 THR 68 3.372 6.839 -0.517 552 3HG2 THR 68 3HG2 THR 68 3.544 8.553 -0.985 553 H GLU 69 H GLU 69 6.853 9.723 -1.633 554 HA GLU 69 HA GLU 69 6.452 10.949 1.032 555 1HB GLU 69 1HB GLU 69 7.631 12.908 -0.272 556 2HB GLU 69 2HB GLU 69 8.518 11.553 0.411 557 1HG GLU 69 1HG GLU 69 9.356 12.150 -1.789 558 2HG GLU 69 2HG GLU 69 8.789 10.488 -1.738 559 H PHE 70 H PHE 70 4.112 10.747 0.848 560 HA PHE 70 HA PHE 70 2.723 12.367 -1.127 561 1HB PHE 70 1HB PHE 70 0.802 11.566 -0.275 562 2HB PHE 70 2HB PHE 70 1.856 10.239 0.166 563 HD1 PHE 70 HD1 PHE 70 2.897 10.502 2.625 564 HD2 PHE 70 HD2 PHE 70 -0.745 12.433 1.345 565 HE1 PHE 70 HE1 PHE 70 2.178 10.748 4.975 566 HE2 PHE 70 HE2 PHE 70 -1.142 13.126 3.631 567 HZ PHE 70 HZ PHE 70 0.302 12.265 5.500 568 H THR 71 H THR 71 1.711 14.349 -0.745 569 HA THR 71 HA THR 71 2.558 15.889 1.655 570 HB THR 71 HB THR 71 1.654 16.834 -1.029 571 HG1 THR 71 HG1 THR 71 3.750 15.889 -0.864 572 1HG2 THR 71 1HG2 THR 71 2.420 19.044 -0.139 573 2HG2 THR 71 2HG2 THR 71 0.994 18.455 0.723 574 3HG2 THR 71 3HG2 THR 71 2.599 18.319 1.471 575 HA PRO 72 HA PRO 72 -2.006 15.756 2.592 576 1HB PRO 72 1HB PRO 72 -1.719 16.533 5.244 577 2HB PRO 72 2HB PRO 72 -1.726 14.858 4.699 578 1HG PRO 72 1HG PRO 72 0.578 16.552 5.525 579 2HG PRO 72 2HG PRO 72 0.435 14.781 5.587 580 1HD PRO 72 1HD PRO 72 1.832 16.334 3.684 581 2HD PRO 72 2HD PRO 72 1.449 14.597 3.515 582 H THR 73 H THR 73 -2.585 17.602 1.440 583 HA THR 73 HA THR 73 -1.899 20.310 2.469 584 HB THR 73 HB THR 73 -1.754 19.949 0.115 585 HG1 THR 73 HG1 THR 73 -2.182 21.967 0.953 586 1HG2 THR 73 1HG2 THR 73 -4.747 19.425 0.290 587 2HG2 THR 73 2HG2 THR 73 -3.885 19.922 -1.182 588 3HG2 THR 73 3HG2 THR 73 -3.465 18.389 -0.387 589 H GLU 74 H GLU 74 -4.434 21.352 1.811 590 HA GLU 74 HA GLU 74 -5.835 21.030 4.282 591 1HB GLU 74 1HB GLU 74 -5.783 23.118 2.962 592 2HB GLU 74 2HB GLU 74 -6.719 22.347 1.678 593 1HG GLU 74 1HG GLU 74 -8.584 21.986 3.382 594 2HG GLU 74 2HG GLU 74 -7.624 22.933 4.530 595 H LYS 75 H LYS 75 -7.198 20.378 1.017 596 HA LYS 75 HA LYS 75 -9.069 18.418 2.294 597 1HB LYS 75 1HB LYS 75 -10.638 19.162 0.510 598 2HB LYS 75 2HB LYS 75 -10.216 20.407 1.681 599 1HG LYS 75 1HG LYS 75 -8.860 21.597 0.223 600 2HG LYS 75 2HG LYS 75 -8.598 20.247 -0.880 601 1HD LYS 75 1HD LYS 75 -11.438 21.187 -0.591 602 2HD LYS 75 2HD LYS 75 -10.300 22.307 -1.348 603 1HE LYS 75 1HE LYS 75 -11.329 20.976 -3.088 604 2HE LYS 75 2HE LYS 75 -9.610 20.577 -2.978 605 1HZ LYS 75 1HZ LYS 75 -11.823 19.009 -1.850 606 2HZ LYS 75 2HZ LYS 75 -10.941 18.627 -3.188 607 3HZ LYS 75 3HZ LYS 75 -10.225 18.628 -1.703 608 H ASP 76 H ASP 76 -6.725 17.280 1.555 609 HA ASP 76 HA ASP 76 -7.218 15.969 -1.076 610 1HB ASP 76 1HB ASP 76 -5.064 14.956 -0.733 611 2HB ASP 76 2HB ASP 76 -4.956 16.711 -0.620 612 H GLU 77 H GLU 77 -6.896 13.609 -1.166 613 HA GLU 77 HA GLU 77 -7.399 12.034 1.247 614 1HB GLU 77 1HB GLU 77 -9.662 12.690 0.320 615 2HB GLU 77 2HB GLU 77 -9.244 11.853 -1.182 616 1HG GLU 77 1HG GLU 77 -8.962 9.736 0.107 617 2HG GLU 77 2HG GLU 77 -9.375 10.599 1.599 618 H TYR 78 H TYR 78 -5.841 10.500 1.102 619 HA TYR 78 HA TYR 78 -4.883 9.559 -1.567 620 1HB TYR 78 1HB TYR 78 -3.405 9.882 1.034 621 2HB TYR 78 2HB TYR 78 -2.828 8.901 -0.298 622 HD1 TYR 78 HD1 TYR 78 -4.144 12.406 0.258 623 HD2 TYR 78 HD2 TYR 78 -1.181 9.903 -1.608 624 HE1 TYR 78 HE1 TYR 78 -2.980 14.414 -0.625 625 HE2 TYR 78 HE2 TYR 78 -0.145 11.961 -2.610 626 HH TYR 78 HH TYR 78 -0.065 14.198 -2.655 627 H ALA 79 H ALA 79 -4.486 7.357 -1.858 628 HA ALA 79 HA ALA 79 -5.315 5.425 0.187 629 1HB ALA 79 1HB ALA 79 -6.740 5.671 -2.504 630 2HB ALA 79 2HB ALA 79 -7.007 4.400 -1.298 631 3HB ALA 79 3HB ALA 79 -7.454 6.078 -0.931 632 H CYS 80 H CYS 80 -5.099 3.176 -0.692 633 HA CYS 80 HA CYS 80 -2.704 2.907 -2.467 634 1HB CYS 80 1HB CYS 80 -3.649 1.153 -0.176 635 2HB CYS 80 2HB CYS 80 -2.184 0.937 -1.130 636 H ARG 81 H ARG 81 -3.301 2.018 -4.409 637 HA ARG 81 HA ARG 81 -5.594 0.233 -4.786 638 1HB ARG 81 1HB ARG 81 -4.779 1.488 -6.695 639 2HB ARG 81 2HB ARG 81 -3.135 0.900 -6.422 640 1HG ARG 81 1HG ARG 81 -4.052 -1.473 -6.846 641 2HG ARG 81 2HG ARG 81 -5.529 -0.684 -7.416 642 1HD ARG 81 1HD ARG 81 -4.211 0.452 -9.178 643 2HD ARG 81 2HD ARG 81 -2.709 -0.164 -8.461 644 HE ARG 81 HE ARG 81 -4.779 -2.092 -9.349 645 1HH1 ARG 81 1HH2 ARG 81 -1.463 -0.804 -9.924 646 2HH1 ARG 81 2HH2 ARG 81 -1.039 -2.181 -10.901 647 1HH2 ARG 81 1HH1 ARG 81 -4.156 -3.791 -10.667 648 2HH2 ARG 81 2HH1 ARG 81 -2.506 -3.924 -11.225 649 H VAL 82 H VAL 82 -5.515 -2.026 -4.266 650 HA VAL 82 HA VAL 82 -2.831 -3.282 -4.112 651 HB VAL 82 HB VAL 82 -5.153 -3.775 -2.200 652 1HG1 VAL 82 1HG1 VAL 82 -2.360 -4.959 -2.379 653 2HG1 VAL 82 2HG1 VAL 82 -3.536 -5.265 -1.077 654 3HG1 VAL 82 3HG1 VAL 82 -3.880 -5.819 -2.723 655 1HG2 VAL 82 1HG2 VAL 82 -4.003 -1.668 -1.622 656 2HG2 VAL 82 2HG2 VAL 82 -3.563 -2.935 -0.475 657 3HG2 VAL 82 3HG2 VAL 82 -2.425 -2.478 -1.754 658 H ASN 83 H ASN 83 -2.719 -4.635 -5.742 659 HA ASN 83 HA ASN 83 -5.031 -6.433 -6.372 660 1HB ASN 83 1HB ASN 83 -3.166 -4.936 -8.227 661 2HB ASN 83 2HB ASN 83 -3.934 -6.452 -8.717 662 1HD2 ASN 83 2HD2 ASN 83 -6.164 -6.582 -9.051 663 2HD2 ASN 83 1HD2 ASN 83 -7.163 -5.152 -9.177 664 H HIS 84 H HIS 84 -4.007 -8.081 -4.965 665 HA HIS 84 HA HIS 84 -1.340 -9.196 -5.702 666 1HB HIS 84 1HB HIS 84 -2.080 -9.369 -3.391 667 2HB HIS 84 2HB HIS 84 -3.548 -10.178 -3.914 668 HD2 HIS 84 HD2 HIS 84 0.363 -11.011 -4.111 669 HE1 HIS 84 HE1 HIS 84 -1.949 -14.555 -3.979 670 HE2 HIS 84 HE2 HIS 84 0.457 -13.608 -4.047 671 H VAL 85 H VAL 85 -1.402 -11.349 -6.890 672 HA VAL 85 HA VAL 85 -3.139 -11.426 -9.043 673 HB VAL 85 HB VAL 85 -1.019 -12.567 -8.989 674 1HG1 VAL 85 1HG1 VAL 85 -1.069 -13.608 -6.746 675 2HG1 VAL 85 2HG1 VAL 85 -2.341 -14.731 -7.287 676 3HG1 VAL 85 3HG1 VAL 85 -0.732 -14.789 -8.017 677 1HG2 VAL 85 1HG2 VAL 85 -3.268 -14.505 -9.647 678 2HG2 VAL 85 2HG2 VAL 85 -2.729 -13.161 -10.678 679 3HG2 VAL 85 3HG2 VAL 85 -1.625 -14.498 -10.313 680 H THR 86 H THR 86 -3.640 -12.997 -5.867 681 HA THR 86 HA THR 86 -5.906 -14.502 -6.820 682 HB THR 86 HB THR 86 -4.317 -15.053 -4.880 683 HG1 THR 86 HG1 THR 86 -6.104 -16.261 -5.564 684 1HG2 THR 86 1HG2 THR 86 -6.512 -13.729 -3.260 685 2HG2 THR 86 2HG2 THR 86 -4.958 -14.397 -2.706 686 3HG2 THR 86 3HG2 THR 86 -5.003 -12.872 -3.618 687 H LEU 87 H LEU 87 -5.557 -11.191 -5.667 688 HA LEU 87 HA LEU 87 -8.382 -10.816 -5.020 689 1HB LEU 87 1HB LEU 87 -6.019 -9.004 -5.502 690 2HB LEU 87 2HB LEU 87 -7.635 -8.369 -5.587 691 HG LEU 87 HG LEU 87 -8.175 -8.869 -3.359 692 1HD1 LEU 87 1HD1 LEU 87 -7.128 -11.057 -3.016 693 2HD1 LEU 87 2HD1 LEU 87 -5.517 -10.329 -3.125 694 3HD1 LEU 87 3HD1 LEU 87 -6.595 -9.912 -1.780 695 1HD2 LEU 87 1HD2 LEU 87 -6.802 -6.847 -3.813 696 2HD2 LEU 87 2HD2 LEU 87 -6.507 -7.484 -2.183 697 3HD2 LEU 87 3HD2 LEU 87 -5.328 -7.772 -3.472 698 H SER 88 H SER 88 -9.750 -11.397 -6.589 699 HA SER 88 HA SER 88 -9.371 -10.953 -9.403 700 1HB SER 88 1HB SER 88 -10.826 -12.707 -8.415 701 2HB SER 88 2HB SER 88 -11.916 -11.448 -7.801 702 HG SER 88 HG SER 88 -11.230 -11.809 -10.533 703 H GLN 89 H GLN 89 -9.989 -8.725 -6.864 704 HA GLN 89 HA GLN 89 -11.014 -6.718 -8.765 705 1HB GLN 89 1HB GLN 89 -12.479 -5.823 -6.990 706 2HB GLN 89 2HB GLN 89 -12.984 -7.403 -7.602 707 1HG GLN 89 1HG GLN 89 -12.114 -8.513 -5.612 708 2HG GLN 89 2HG GLN 89 -11.393 -7.003 -5.030 709 1HE2 GLN 89 2HE2 GLN 89 -14.653 -8.069 -6.214 710 2HE2 GLN 89 1HE2 GLN 89 -15.532 -7.302 -4.908 711 HA PRO 90 HA PRO 90 -7.618 -4.535 -6.836 712 1HB PRO 90 1HB PRO 90 -8.143 -1.959 -7.587 713 2HB PRO 90 2HB PRO 90 -7.734 -3.186 -8.807 714 1HG PRO 90 1HG PRO 90 -10.505 -2.248 -8.088 715 2HG PRO 90 2HG PRO 90 -9.772 -2.428 -9.703 716 1HD PRO 90 1HD PRO 90 -11.337 -4.370 -8.589 717 2HD PRO 90 2HD PRO 90 -9.936 -4.777 -9.625 718 H LYS 91 H LYS 91 -7.713 -4.511 -4.626 719 HA LYS 91 HA LYS 91 -9.990 -3.298 -3.179 720 1HB LYS 91 1HB LYS 91 -7.466 -4.748 -2.307 721 2HB LYS 91 2HB LYS 91 -8.648 -4.088 -1.178 722 1HG LYS 91 1HG LYS 91 -9.299 -6.151 -3.335 723 2HG LYS 91 2HG LYS 91 -8.838 -6.574 -1.689 724 1HD LYS 91 1HD LYS 91 -11.292 -4.883 -2.358 725 2HD LYS 91 2HD LYS 91 -11.290 -6.634 -2.151 726 1HE LYS 91 1HE LYS 91 -10.414 -6.377 0.164 727 2HE LYS 91 2HE LYS 91 -10.506 -4.613 -0.003 728 1HZ LYS 91 1HZ LYS 91 -12.850 -4.826 -0.356 729 2HZ LYS 91 2HZ LYS 91 -12.769 -6.466 -0.211 730 3HZ LYS 91 3HZ LYS 91 -12.417 -5.505 1.081 731 H ILE 92 H ILE 92 -9.885 -1.075 -3.552 732 HA ILE 92 HA ILE 92 -7.351 0.308 -3.346 733 HB ILE 92 HB ILE 92 -10.073 1.604 -3.519 734 1HG1 ILE 92 1HG1 ILE 92 -10.035 0.037 -5.368 735 2HG1 ILE 92 2HG1 ILE 92 -9.851 1.695 -5.918 736 1HG2 ILE 92 1HG2 ILE 92 -7.217 2.413 -4.247 737 2HG2 ILE 92 2HG2 ILE 92 -8.665 3.356 -4.657 738 3HG2 ILE 92 3HG2 ILE 92 -8.224 3.084 -2.961 739 1HD1 ILE 92 1HD1 ILE 92 -7.632 -0.375 -5.707 740 2HD1 ILE 92 2HD1 ILE 92 -8.384 0.269 -7.181 741 3HD1 ILE 92 3HD1 ILE 92 -7.386 1.326 -6.186 742 H VAL 93 H VAL 93 -6.846 -0.452 -1.149 743 HA VAL 93 HA VAL 93 -8.524 0.166 1.099 744 HB VAL 93 HB VAL 93 -5.557 -0.512 1.016 745 1HG1 VAL 93 1HG1 VAL 93 -7.599 -0.585 3.290 746 2HG1 VAL 93 2HG1 VAL 93 -5.946 -1.224 3.378 747 3HG1 VAL 93 3HG1 VAL 93 -6.209 0.512 3.177 748 1HG2 VAL 93 1HG2 VAL 93 -6.904 -2.311 0.006 749 2HG2 VAL 93 2HG2 VAL 93 -6.359 -2.796 1.610 750 3HG2 VAL 93 3HG2 VAL 93 -8.035 -2.264 1.376 751 H LYS 94 H LYS 94 -8.926 2.143 1.838 752 HA LYS 94 HA LYS 94 -7.352 4.424 1.035 753 1HB LYS 94 1HB LYS 94 -9.829 4.298 1.167 754 2HB LYS 94 2HB LYS 94 -9.727 4.250 2.927 755 1HG LYS 94 1HG LYS 94 -8.761 6.435 3.039 756 2HG LYS 94 2HG LYS 94 -8.483 6.522 1.296 757 1HD LYS 94 1HD LYS 94 -11.306 6.183 2.376 758 2HD LYS 94 2HD LYS 94 -10.512 7.759 2.404 759 1HE LYS 94 1HE LYS 94 -11.852 7.648 0.430 760 2HE LYS 94 2HE LYS 94 -10.140 7.678 -0.037 761 1HZ LYS 94 1HZ LYS 94 -10.261 5.366 -0.471 762 2HZ LYS 94 2HZ LYS 94 -11.825 5.282 0.056 763 3HZ LYS 94 3HZ LYS 94 -11.451 6.144 -1.298 764 H TRP 95 H TRP 95 -6.154 5.824 2.339 765 HA TRP 95 HA TRP 95 -4.819 4.632 4.637 766 1HB TRP 95 1HB TRP 95 -3.497 5.888 3.102 767 2HB TRP 95 2HB TRP 95 -4.626 7.229 3.124 768 HD1 TRP 95 HD1 TRP 95 -2.746 5.610 6.135 769 HE1 TRP 95 HE1 TRP 95 -1.548 7.506 7.414 770 HE3 TRP 95 HE3 TRP 95 -3.823 9.515 3.038 771 HZ2 TRP 95 HZ2 TRP 95 -1.480 10.420 7.323 772 HZ3 TRP 95 HZ3 TRP 95 -2.967 11.763 3.528 773 HH2 TRP 95 HH2 TRP 95 -1.989 12.267 5.747 774 H ASP 96 H ASP 96 -5.890 4.548 6.524 775 HA ASP 96 HA ASP 96 -7.750 6.559 7.456 776 1HB ASP 96 1HB ASP 96 -7.563 5.316 9.595 777 2HB ASP 96 2HB ASP 96 -7.960 4.279 8.222 778 H ARG 97 H ARG 97 -7.382 8.037 9.141 779 HA ARG 97 HA ARG 97 -4.602 9.096 9.297 780 1HB ARG 97 1HB ARG 97 -5.705 11.187 10.006 781 2HB ARG 97 2HB ARG 97 -6.141 10.642 8.395 782 1HG ARG 97 1HG ARG 97 -8.326 9.897 9.089 783 2HG ARG 97 2HG ARG 97 -7.935 10.101 10.800 784 1HD ARG 97 1HD ARG 97 -9.313 11.944 10.044 785 2HD ARG 97 2HD ARG 97 -7.694 12.536 10.465 786 HE ARG 97 HE ARG 97 -7.817 11.892 7.675 787 1HH1 ARG 97 1HH2 ARG 97 -8.998 14.330 9.965 788 2HH1 ARG 97 2HH2 ARG 97 -9.055 15.606 8.775 789 1HH2 ARG 97 1HH1 ARG 97 -7.882 13.577 6.122 790 2HH2 ARG 97 2HH1 ARG 97 -8.417 15.172 6.576 791 H ASP 98 H ASP 98 -6.031 10.479 11.819 792 HA ASP 98 HA ASP 98 -5.480 8.283 13.768 793 1HB ASP 98 1HB ASP 98 -3.649 9.938 13.738 794 2HB ASP 98 2HB ASP 98 -4.811 11.249 13.990 795 H MET 99 H MET 99 -7.843 8.046 13.066 796 HA MET 99 HA MET 99 -9.522 9.114 15.144 797 1HB MET 99 1HB MET 99 -9.557 11.003 13.459 798 2HB MET 99 2HB MET 99 -10.117 9.863 12.238 799 1HG MET 99 1HG MET 99 -11.980 11.146 13.121 800 2HG MET 99 2HG MET 99 -12.172 9.446 13.528 801 1HE MET 99 1HE MET 99 -9.792 12.041 15.555 802 2HE MET 99 2HE MET 99 -11.096 12.960 14.761 803 3HE MET 99 3HE MET 99 -11.068 12.793 16.531 Start of MODEL 13 1 1H MET 0 1H MET 0 -0.402 -22.996 -5.796 2 2H MET 0 2H MET 0 -1.439 -21.739 -5.522 3 3H MET 0 3H MET 0 -0.796 -22.562 -4.252 4 HA MET 0 HA MET 0 -2.576 -23.702 -6.270 5 1HB MET 0 1HB MET 0 -1.599 -24.848 -3.616 6 2HB MET 0 2HB MET 0 -2.826 -25.569 -4.669 7 1HG MET 0 1HG MET 0 -1.119 -25.726 -6.491 8 2HG MET 0 2HG MET 0 0.088 -25.046 -5.392 9 1HE MET 0 1HE MET 0 -2.719 -27.850 -5.192 10 2HE MET 0 2HE MET 0 -1.730 -28.193 -6.631 11 3HE MET 0 3HE MET 0 -1.681 -29.291 -5.233 12 H ILE 1 H ILE 1 -2.544 -23.223 -2.724 13 HA ILE 1 HA ILE 1 -5.197 -21.905 -2.817 14 HB ILE 1 HB ILE 1 -5.193 -23.663 -1.267 15 1HG1 ILE 1 1HG1 ILE 1 -5.597 -22.565 0.876 16 2HG1 ILE 1 2HG1 ILE 1 -4.790 -21.093 0.331 17 1HG2 ILE 1 1HG2 ILE 1 -2.783 -24.019 -0.930 18 2HG2 ILE 1 2HG2 ILE 1 -2.702 -22.536 0.055 19 3HG2 ILE 1 3HG2 ILE 1 -3.672 -23.918 0.590 20 1HD1 ILE 1 1HD1 ILE 1 -6.559 -20.727 -1.346 21 2HD1 ILE 1 2HD1 ILE 1 -7.294 -22.297 -0.939 22 3HD1 ILE 1 3HD1 ILE 1 -7.282 -20.979 0.249 23 H GLN 2 H GLN 2 -5.055 -19.730 -3.072 24 HA GLN 2 HA GLN 2 -2.515 -18.312 -2.547 25 1HB GLN 2 1HB GLN 2 -5.102 -17.599 -3.960 26 2HB GLN 2 2HB GLN 2 -3.855 -16.406 -3.576 27 1HG GLN 2 1HG GLN 2 -3.605 -17.201 -5.880 28 2HG GLN 2 2HG GLN 2 -2.195 -17.574 -4.886 29 1HE2 GLN 2 2HE2 GLN 2 -5.338 -19.065 -5.892 30 2HE2 GLN 2 1HE2 GLN 2 -4.704 -20.695 -6.025 31 H ARG 3 H ARG 3 -2.186 -17.129 -0.741 32 HA ARG 3 HA ARG 3 -4.381 -16.763 1.186 33 1HB ARG 3 1HB ARG 3 -1.393 -16.417 1.296 34 2HB ARG 3 2HB ARG 3 -2.455 -15.761 2.554 35 1HG ARG 3 1HG ARG 3 -3.414 -17.895 3.044 36 2HG ARG 3 2HG ARG 3 -2.581 -18.672 1.688 37 1HD ARG 3 1HD ARG 3 -0.395 -18.271 2.783 38 2HD ARG 3 2HD ARG 3 -1.198 -17.366 4.070 39 HE ARG 3 HE ARG 3 -1.914 -19.286 5.077 40 1HH1 ARG 3 1HH2 ARG 3 -0.581 -20.157 1.904 41 2HH1 ARG 3 2HH2 ARG 3 -0.826 -21.869 2.134 42 1HH2 ARG 3 1HH1 ARG 3 -2.283 -21.515 5.339 43 2HH2 ARG 3 2HH1 ARG 3 -1.798 -22.644 4.101 44 H THR 4 H THR 4 -4.841 -14.780 2.147 45 HA THR 4 HA THR 4 -5.368 -12.836 0.113 46 HB THR 4 HB THR 4 -7.039 -13.745 1.688 47 HG1 THR 4 HG1 THR 4 -7.449 -11.819 0.629 48 1HG2 THR 4 1HG2 THR 4 -5.792 -11.870 3.742 49 2HG2 THR 4 2HG2 THR 4 -7.223 -12.895 3.935 50 3HG2 THR 4 3HG2 THR 4 -5.619 -13.641 3.772 51 HA PRO 5 HA PRO 5 -2.358 -9.758 1.514 52 1HB PRO 5 1HB PRO 5 -3.381 -7.493 0.367 53 2HB PRO 5 2HB PRO 5 -2.589 -8.797 -0.567 54 1HG PRO 5 1HG PRO 5 -5.548 -8.370 -0.101 55 2HG PRO 5 2HG PRO 5 -4.707 -8.649 -1.655 56 1HD PRO 5 1HD PRO 5 -5.905 -10.670 -0.305 57 2HD PRO 5 2HD PRO 5 -4.346 -10.944 -1.130 58 H LYS 6 H LYS 6 -2.579 -9.758 3.706 59 HA LYS 6 HA LYS 6 -4.614 -8.272 5.168 60 1HB LYS 6 1HB LYS 6 -3.265 -10.163 6.146 61 2HB LYS 6 2HB LYS 6 -1.821 -9.147 6.001 62 1HG LYS 6 1HG LYS 6 -3.221 -7.366 7.319 63 2HG LYS 6 2HG LYS 6 -4.295 -8.716 7.705 64 1HD LYS 6 1HD LYS 6 -2.366 -9.930 8.721 65 2HD LYS 6 2HD LYS 6 -1.295 -8.577 8.288 66 1HE LYS 6 1HE LYS 6 -2.679 -7.038 9.678 67 2HE LYS 6 2HE LYS 6 -3.710 -8.404 10.150 68 1HZ LYS 6 1HZ LYS 6 -1.776 -9.417 11.140 69 2HZ LYS 6 2HZ LYS 6 -0.838 -8.132 10.702 70 3HZ LYS 6 3HZ LYS 6 -2.060 -7.927 11.788 71 H ILE 7 H ILE 7 -4.731 -6.133 4.676 72 HA ILE 7 HA ILE 7 -2.380 -4.542 3.986 73 HB ILE 7 HB ILE 7 -3.933 -2.733 3.730 74 1HG1 ILE 7 1HG1 ILE 7 -6.506 -3.575 3.947 75 2HG1 ILE 7 2HG1 ILE 7 -5.833 -4.461 5.307 76 1HG2 ILE 7 1HG2 ILE 7 -3.686 -4.413 1.937 77 2HG2 ILE 7 2HG2 ILE 7 -5.123 -5.265 2.548 78 3HG2 ILE 7 3HG2 ILE 7 -5.264 -3.610 1.934 79 1HD1 ILE 7 1HD1 ILE 7 -4.980 -2.273 6.242 80 2HD1 ILE 7 2HD1 ILE 7 -5.653 -1.445 4.830 81 3HD1 ILE 7 3HD1 ILE 7 -6.729 -2.264 5.976 82 H GLN 8 H GLN 8 -1.234 -3.102 5.395 83 HA GLN 8 HA GLN 8 -2.694 -2.121 7.728 84 1HB GLN 8 1HB GLN 8 -0.358 -2.110 8.788 85 2HB GLN 8 2HB GLN 8 -1.382 -3.544 8.951 86 1HG GLN 8 1HG GLN 8 0.829 -3.260 6.904 87 2HG GLN 8 2HG GLN 8 1.080 -3.937 8.519 88 1HE2 GLN 8 2HE2 GLN 8 1.200 -5.050 5.624 89 2HE2 GLN 8 1HE2 GLN 8 0.248 -6.519 5.727 90 H VAL 9 H VAL 9 -3.153 -0.317 6.557 91 HA VAL 9 HA VAL 9 -1.017 1.096 5.089 92 HB VAL 9 HB VAL 9 -4.004 1.610 5.256 93 1HG1 VAL 9 1HG1 VAL 9 -1.824 2.770 3.465 94 2HG1 VAL 9 2HG1 VAL 9 -3.576 3.051 3.295 95 3HG1 VAL 9 3HG1 VAL 9 -2.712 3.636 4.720 96 1HG2 VAL 9 1HG2 VAL 9 -3.504 -0.529 4.115 97 2HG2 VAL 9 2HG2 VAL 9 -4.049 0.690 2.956 98 3HG2 VAL 9 3HG2 VAL 9 -2.324 0.286 3.073 99 H TYR 10 H TYR 10 0.249 2.014 6.658 100 HA TYR 10 HA TYR 10 -1.062 3.773 8.713 101 1HB TYR 10 1HB TYR 10 0.833 3.349 10.115 102 2HB TYR 10 2HB TYR 10 -0.047 1.892 9.697 103 HD1 TYR 10 HD1 TYR 10 0.972 0.107 8.430 104 HD2 TYR 10 HD2 TYR 10 3.163 3.694 9.337 105 HE1 TYR 10 HE1 TYR 10 3.087 -1.015 7.790 106 HE2 TYR 10 HE2 TYR 10 5.280 2.542 8.799 107 HH TYR 10 HH TYR 10 6.269 0.554 8.189 108 H SER 11 H SER 11 0.066 5.719 9.310 109 HA SER 11 HA SER 11 1.952 6.832 7.292 110 1HB SER 11 1HB SER 11 1.463 8.999 8.496 111 2HB SER 11 2HB SER 11 0.176 8.313 7.513 112 HG SER 11 HG SER 11 -0.556 8.998 9.587 113 H ARG 12 H ARG 12 3.734 8.162 8.351 114 HA ARG 12 HA ARG 12 4.847 6.735 10.744 115 1HB ARG 12 1HB ARG 12 6.065 8.110 8.358 116 2HB ARG 12 2HB ARG 12 6.999 7.887 9.847 117 1HG ARG 12 1HG ARG 12 7.125 5.613 9.651 118 2HG ARG 12 2HG ARG 12 5.508 5.460 8.960 119 1HD ARG 12 1HD ARG 12 7.150 4.748 7.380 120 2HD ARG 12 2HD ARG 12 6.250 6.164 6.785 121 HE ARG 12 HE ARG 12 8.565 7.167 7.988 122 1HH1 ARG 12 1HH2 ARG 12 7.773 4.990 5.277 123 2HH1 ARG 12 2HH2 ARG 12 9.230 5.384 4.395 124 1HH2 ARG 12 1HH1 ARG 12 10.408 7.752 6.715 125 2HH2 ARG 12 2HH1 ARG 12 10.674 6.994 5.166 126 H HIS 13 H HIS 13 4.533 10.042 9.353 127 HA HIS 13 HA HIS 13 4.507 11.135 12.129 128 1HB HIS 13 1HB HIS 13 4.530 12.658 9.523 129 2HB HIS 13 2HB HIS 13 4.853 13.286 11.133 130 HD2 HIS 13 HD2 HIS 13 6.726 12.404 8.093 131 HE1 HIS 13 HE1 HIS 13 9.401 11.472 11.238 132 HE2 HIS 13 HE2 HIS 13 9.215 11.864 8.719 133 HA PRO 14 HA PRO 14 0.106 11.239 11.628 134 1HB PRO 14 1HB PRO 14 -0.748 12.960 13.530 135 2HB PRO 14 2HB PRO 14 0.245 11.546 13.942 136 1HG PRO 14 1HG PRO 14 1.229 14.381 13.478 137 2HG PRO 14 2HG PRO 14 1.530 13.338 14.901 138 1HD PRO 14 1HD PRO 14 3.290 13.525 12.804 139 2HD PRO 14 2HD PRO 14 3.060 12.000 13.702 140 H ALA 15 H ALA 15 1.144 12.553 9.442 141 HA ALA 15 HA ALA 15 0.675 13.981 7.766 142 1HB ALA 15 1HB ALA 15 -1.523 12.905 8.087 143 2HB ALA 15 2HB ALA 15 -2.035 14.292 9.069 144 3HB ALA 15 3HB ALA 15 -1.637 14.514 7.364 145 H GLU 16 H GLU 16 -0.552 16.285 7.319 146 HA GLU 16 HA GLU 16 -0.303 18.329 9.287 147 1HB GLU 16 1HB GLU 16 2.193 17.672 8.463 148 2HB GLU 16 2HB GLU 16 1.746 18.659 7.085 149 1HG GLU 16 1HG GLU 16 2.877 20.063 8.667 150 2HG GLU 16 2HG GLU 16 1.182 20.523 8.826 151 H ASN 17 H ASN 17 0.264 20.327 7.171 152 HA ASN 17 HA ASN 17 -1.579 19.664 4.990 153 1HB ASN 17 1HB ASN 17 -2.977 20.966 6.571 154 2HB ASN 17 2HB ASN 17 -1.807 22.293 6.493 155 1HD2 ASN 17 2HD2 ASN 17 -3.695 23.587 5.738 156 2HD2 ASN 17 1HD2 ASN 17 -4.172 23.498 4.057 157 H GLY 18 H GLY 18 -0.319 19.857 3.223 158 1HA GLY 18 1HA GLY 18 0.921 20.930 1.621 159 2HA GLY 18 2HA GLY 18 1.198 22.294 2.708 160 H LYS 19 H LYS 19 2.272 20.353 4.838 161 HA LYS 19 HA LYS 19 5.049 20.467 3.885 162 1HB LYS 19 1HB LYS 19 4.267 21.411 6.032 163 2HB LYS 19 2HB LYS 19 3.992 19.739 6.580 164 1HG LYS 19 1HG LYS 19 6.691 20.885 5.736 165 2HG LYS 19 2HG LYS 19 6.093 20.798 7.400 166 1HD LYS 19 1HD LYS 19 5.781 18.250 6.968 167 2HD LYS 19 2HD LYS 19 6.873 18.506 5.589 168 1HE LYS 19 1HE LYS 19 7.547 19.200 8.467 169 2HE LYS 19 2HE LYS 19 8.009 17.707 7.634 170 1HZ LYS 19 1HZ LYS 19 9.213 18.985 6.052 171 2HZ LYS 19 2HZ LYS 19 8.779 20.402 6.774 172 3HZ LYS 19 3HZ LYS 19 9.747 19.331 7.572 173 H SER 20 H SER 20 5.739 18.844 2.996 174 HA SER 20 HA SER 20 4.774 16.438 2.451 175 1HB SER 20 1HB SER 20 6.901 17.550 1.540 176 2HB SER 20 2HB SER 20 7.722 16.449 2.673 177 HG SER 20 HG SER 20 7.472 15.291 0.866 178 H ASN 21 H ASN 21 4.527 14.463 3.423 179 HA ASN 21 HA ASN 21 5.531 14.035 6.194 180 1HB ASN 21 1HB ASN 21 3.100 14.712 5.518 181 2HB ASN 21 2HB ASN 21 2.913 13.016 5.121 182 1HD2 ASN 21 2HD2 ASN 21 2.703 11.554 6.902 183 2HD2 ASN 21 1HD2 ASN 21 2.717 12.063 8.568 184 H PHE 22 H PHE 22 4.202 11.213 6.076 185 HA PHE 22 HA PHE 22 5.489 9.907 3.884 186 1HB PHE 22 1HB PHE 22 7.103 10.205 6.212 187 2HB PHE 22 2HB PHE 22 6.609 8.524 6.161 188 HD1 PHE 22 HD1 PHE 22 6.727 7.374 3.728 189 HD2 PHE 22 HD2 PHE 22 9.002 10.823 4.970 190 HE1 PHE 22 HE1 PHE 22 8.338 6.989 1.879 191 HE2 PHE 22 HE2 PHE 22 10.622 10.406 3.142 192 HZ PHE 22 HZ PHE 22 10.270 8.519 1.573 193 H LEU 23 H LEU 23 4.309 8.349 3.256 194 HA LEU 23 HA LEU 23 2.278 7.039 4.975 195 1HB LEU 23 1HB LEU 23 1.437 8.446 3.181 196 2HB LEU 23 2HB LEU 23 2.503 7.657 2.015 197 HG LEU 23 HG LEU 23 1.111 5.573 2.341 198 1HD1 LEU 23 1HD1 LEU 23 -0.543 7.507 4.035 199 2HD1 LEU 23 2HD1 LEU 23 -1.078 5.897 3.497 200 3HD1 LEU 23 3HD1 LEU 23 0.268 6.049 4.635 201 1HD2 LEU 23 1HD2 LEU 23 0.681 7.263 0.534 202 2HD2 LEU 23 2HD2 LEU 23 -0.817 6.486 1.084 203 3HD2 LEU 23 3HD2 LEU 23 -0.410 8.129 1.628 204 H ASN 24 H ASN 24 2.124 4.804 4.974 205 HA ASN 24 HA ASN 24 3.936 3.173 3.256 206 1HB ASN 24 1HB ASN 24 3.499 3.074 6.244 207 2HB ASN 24 2HB ASN 24 4.025 1.669 5.322 208 1HD2 ASN 24 2HD2 ASN 24 6.045 1.476 6.357 209 2HD2 ASN 24 1HD2 ASN 24 7.334 2.636 6.112 210 H CYS 25 H CYS 25 2.399 2.354 1.865 211 HA CYS 25 HA CYS 25 -0.035 1.074 2.948 212 1HB CYS 25 1HB CYS 25 1.094 0.998 0.124 213 2HB CYS 25 2HB CYS 25 -0.467 0.404 0.646 214 H TYR 26 H TYR 26 1.407 -0.349 4.422 215 HA TYR 26 HA TYR 26 3.122 -2.285 3.058 216 1HB TYR 26 1HB TYR 26 3.713 -1.471 5.264 217 2HB TYR 26 2HB TYR 26 2.184 -1.959 5.909 218 HD1 TYR 26 HD1 TYR 26 4.149 -4.189 3.608 219 HD2 TYR 26 HD2 TYR 26 3.216 -3.258 7.721 220 HE1 TYR 26 HE1 TYR 26 4.904 -6.404 4.287 221 HE2 TYR 26 HE2 TYR 26 3.942 -5.514 8.389 222 HH TYR 26 HH TYR 26 5.177 -7.909 6.032 223 H VAL 27 H VAL 27 2.389 -4.204 2.195 224 HA VAL 27 HA VAL 27 -0.262 -5.261 3.097 225 HB VAL 27 HB VAL 27 1.032 -5.715 0.366 226 1HG1 VAL 27 1HG1 VAL 27 -1.836 -6.039 1.346 227 2HG1 VAL 27 2HG1 VAL 27 -1.176 -6.529 -0.234 228 3HG1 VAL 27 3HG1 VAL 27 -0.678 -7.369 1.241 229 1HG2 VAL 27 1HG2 VAL 27 -1.078 -3.673 1.098 230 2HG2 VAL 27 2HG2 VAL 27 0.550 -3.349 0.443 231 3HG2 VAL 27 3HG2 VAL 27 -0.647 -4.188 -0.559 232 H SER 28 H SER 28 -0.167 -7.456 3.770 233 HA SER 28 HA SER 28 2.057 -9.032 2.973 234 1HB SER 28 1HB SER 28 3.430 -8.820 4.789 235 2HB SER 28 2HB SER 28 2.456 -7.528 5.373 236 HG SER 28 HG SER 28 2.778 -9.191 6.883 237 H GLY 29 H GLY 29 1.902 -11.169 4.749 238 1HA GLY 29 1HA GLY 29 0.571 -12.911 5.413 239 2HA GLY 29 2HA GLY 29 -0.872 -11.944 5.105 240 H PHE 30 H PHE 30 0.449 -11.572 2.205 241 HA PHE 30 HA PHE 30 -1.222 -13.707 1.099 242 1HB PHE 30 1HB PHE 30 -1.295 -12.394 -0.875 243 2HB PHE 30 2HB PHE 30 -1.592 -11.395 0.501 244 HD1 PHE 30 HD1 PHE 30 0.716 -12.144 -2.238 245 HD2 PHE 30 HD2 PHE 30 -0.042 -9.500 1.090 246 HE1 PHE 30 HE1 PHE 30 2.437 -10.602 -3.072 247 HE2 PHE 30 HE2 PHE 30 1.692 -7.973 0.241 248 HZ PHE 30 HZ PHE 30 2.874 -8.509 -1.881 249 H HIS 31 H HIS 31 -0.429 -14.422 -1.161 250 HA HIS 31 HA HIS 31 2.242 -14.441 -2.031 251 1HB HIS 31 1HB HIS 31 3.052 -16.577 -1.629 252 2HB HIS 31 2HB HIS 31 2.427 -16.139 -0.050 253 HD2 HIS 31 HD2 HIS 31 1.470 -18.293 -3.142 254 HE1 HIS 31 HE1 HIS 31 -1.040 -19.422 0.069 255 HE2 HIS 31 HE2 HIS 31 -0.456 -19.928 -2.358 256 HA PRO 32 HA PRO 32 3.228 -15.827 -3.809 257 1HB PRO 32 1HB PRO 32 3.511 -16.064 -6.494 258 2HB PRO 32 2HB PRO 32 2.807 -17.366 -5.520 259 1HG PRO 32 1HG PRO 32 1.282 -15.215 -7.023 260 2HG PRO 32 2HG PRO 32 1.114 -16.991 -7.188 261 1HD PRO 32 1HD PRO 32 -0.488 -15.545 -5.513 262 2HD PRO 32 2HD PRO 32 0.079 -17.185 -5.085 263 H SER 33 H SER 33 4.310 -14.402 -6.128 264 HA SER 33 HA SER 33 4.569 -11.926 -4.732 265 1HB SER 33 1HB SER 33 6.428 -11.588 -6.201 266 2HB SER 33 2HB SER 33 6.385 -13.334 -5.879 267 HG SER 33 HG SER 33 5.258 -13.573 -7.875 268 H ASP 34 H ASP 34 2.495 -12.815 -7.357 269 HA ASP 34 HA ASP 34 2.847 -10.371 -8.825 270 1HB ASP 34 1HB ASP 34 2.456 -12.497 -9.915 271 2HB ASP 34 2HB ASP 34 0.871 -12.654 -9.143 272 H ILE 35 H ILE 35 2.303 -8.752 -7.281 273 HA ILE 35 HA ILE 35 -0.620 -8.191 -7.225 274 HB ILE 35 HB ILE 35 0.006 -8.918 -5.109 275 1HG1 ILE 35 1HG1 ILE 35 -0.146 -5.917 -4.935 276 2HG1 ILE 35 2HG1 ILE 35 -1.525 -6.978 -5.163 277 1HG2 ILE 35 1HG2 ILE 35 2.339 -7.071 -5.381 278 2HG2 ILE 35 2HG2 ILE 35 1.759 -7.580 -3.784 279 3HG2 ILE 35 3HG2 ILE 35 2.268 -8.806 -4.936 280 1HD1 ILE 35 1HD1 ILE 35 -0.668 -8.168 -2.978 281 2HD1 ILE 35 2HD1 ILE 35 0.182 -6.628 -2.704 282 3HD1 ILE 35 3HD1 ILE 35 -1.574 -6.642 -2.873 283 H GLU 36 H GLU 36 -1.244 -6.050 -7.257 284 HA GLU 36 HA GLU 36 0.684 -4.063 -8.360 285 1HB GLU 36 1HB GLU 36 -2.192 -4.252 -9.253 286 2HB GLU 36 2HB GLU 36 -0.822 -3.350 -9.923 287 1HG GLU 36 1HG GLU 36 0.267 -5.667 -10.271 288 2HG GLU 36 2HG GLU 36 -1.334 -6.327 -9.985 289 H VAL 37 H VAL 37 0.728 -2.166 -7.293 290 HA VAL 37 HA VAL 37 -1.505 -1.280 -5.572 291 HB VAL 37 HB VAL 37 1.330 -1.843 -4.617 292 1HG1 VAL 37 1HG1 VAL 37 -0.978 -0.988 -2.829 293 2HG1 VAL 37 2HG1 VAL 37 0.711 -1.247 -2.400 294 3HG1 VAL 37 3HG1 VAL 37 0.268 0.141 -3.400 295 1HG2 VAL 37 1HG2 VAL 37 -1.341 -3.205 -4.102 296 2HG2 VAL 37 2HG2 VAL 37 0.171 -3.881 -4.756 297 3HG2 VAL 37 3HG2 VAL 37 0.060 -3.446 -3.046 298 H ASP 38 H ASP 38 -1.679 0.255 -7.297 299 HA ASP 38 HA ASP 38 0.301 2.384 -7.529 300 1HB ASP 38 1HB ASP 38 -2.650 2.334 -8.313 301 2HB ASP 38 2HB ASP 38 -1.459 3.557 -8.744 302 H LEU 39 H LEU 39 0.678 3.640 -5.727 303 HA LEU 39 HA LEU 39 -1.319 4.280 -3.725 304 1HB LEU 39 1HB LEU 39 1.448 5.358 -4.417 305 2HB LEU 39 2HB LEU 39 0.417 6.035 -3.145 306 HG LEU 39 HG LEU 39 0.286 3.714 -2.154 307 1HD1 LEU 39 1HD1 LEU 39 2.601 3.183 -4.051 308 2HD1 LEU 39 2HD1 LEU 39 2.260 2.227 -2.595 309 3HD1 LEU 39 3HD1 LEU 39 1.084 2.267 -3.898 310 1HD2 LEU 39 1HD2 LEU 39 1.659 5.541 -1.216 311 2HD2 LEU 39 2HD2 LEU 39 2.461 3.977 -0.998 312 3HD2 LEU 39 3HD2 LEU 39 3.009 5.077 -2.282 313 H LEU 40 H LEU 40 -2.808 5.910 -3.829 314 HA LEU 40 HA LEU 40 -2.930 7.556 -6.312 315 1HB LEU 40 1HB LEU 40 -3.918 5.138 -6.282 316 2HB LEU 40 2HB LEU 40 -5.152 5.814 -5.240 317 HG LEU 40 HG LEU 40 -5.916 5.617 -7.502 318 1HD1 LEU 40 1HD1 LEU 40 -5.467 8.587 -7.009 319 2HD1 LEU 40 2HD1 LEU 40 -6.706 7.836 -8.023 320 3HD1 LEU 40 3HD1 LEU 40 -6.750 7.590 -6.270 321 1HD2 LEU 40 1HD2 LEU 40 -3.712 7.485 -8.408 322 2HD2 LEU 40 2HD2 LEU 40 -3.653 5.715 -8.569 323 3HD2 LEU 40 3HD2 LEU 40 -4.900 6.652 -9.416 324 H LYS 41 H LYS 41 -3.330 9.725 -5.687 325 HA LYS 41 HA LYS 41 -4.604 10.335 -3.189 326 1HB LYS 41 1HB LYS 41 -3.852 11.999 -5.587 327 2HB LYS 41 2HB LYS 41 -4.280 12.628 -3.969 328 1HG LYS 41 1HG LYS 41 -2.411 11.988 -2.995 329 2HG LYS 41 2HG LYS 41 -2.115 10.577 -3.995 330 1HD LYS 41 1HD LYS 41 -0.457 12.192 -4.494 331 2HD LYS 41 2HD LYS 41 -1.471 12.022 -5.914 332 1HE LYS 41 1HE LYS 41 -2.624 14.042 -5.537 333 2HE LYS 41 2HE LYS 41 -2.109 14.126 -3.837 334 1HZ LYS 41 1HZ LYS 41 0.103 14.579 -4.571 335 2HZ LYS 41 2HZ LYS 41 -0.352 14.509 -6.154 336 3HZ LYS 41 3HZ LYS 41 -0.943 15.700 -5.178 337 H ASN 42 H ASN 42 -5.973 12.605 -4.888 338 HA ASN 42 HA ASN 42 -8.653 11.542 -4.872 339 1HB ASN 42 1HB ASN 42 -9.347 13.638 -5.705 340 2HB ASN 42 2HB ASN 42 -8.017 14.009 -4.605 341 1HD2 ASN 42 2HD2 ASN 42 -5.819 14.475 -5.666 342 2HD2 ASN 42 1HD2 ASN 42 -5.816 15.099 -7.298 343 H GLY 43 H GLY 43 -6.260 12.147 -7.469 344 1HA GLY 43 1HA GLY 43 -7.284 9.950 -9.065 345 2HA GLY 43 2HA GLY 43 -7.715 11.538 -9.724 346 H GLU 44 H GLU 44 -4.734 11.158 -7.902 347 HA GLU 44 HA GLU 44 -3.076 11.178 -10.395 348 1HB GLU 44 1HB GLU 44 -3.170 13.388 -9.326 349 2HB GLU 44 2HB GLU 44 -2.713 12.677 -7.774 350 1HG GLU 44 1HG GLU 44 -0.535 11.926 -8.822 351 2HG GLU 44 2HG GLU 44 -1.018 12.758 -10.309 352 H ARG 45 H ARG 45 -1.883 9.344 -10.504 353 HA ARG 45 HA ARG 45 -1.443 7.743 -8.094 354 1HB ARG 45 1HB ARG 45 -0.821 5.986 -9.415 355 2HB ARG 45 2HB ARG 45 -2.153 6.736 -10.305 356 1HG ARG 45 1HG ARG 45 -0.546 7.751 -11.880 357 2HG ARG 45 2HG ARG 45 0.813 7.106 -10.931 358 1HD ARG 45 1HD ARG 45 -0.075 4.801 -11.251 359 2HD ARG 45 2HD ARG 45 -1.273 5.456 -12.390 360 HE ARG 45 HE ARG 45 1.287 6.351 -13.212 361 1HH1 ARG 45 1HH2 ARG 45 -0.303 3.201 -12.745 362 2HH1 ARG 45 2HH2 ARG 45 0.528 2.456 -14.085 363 1HH2 ARG 45 1HH1 ARG 45 2.450 5.353 -14.817 364 2HH2 ARG 45 2HH1 ARG 45 2.149 3.688 -15.284 365 H ILE 46 H ILE 46 0.551 7.261 -7.154 366 HA ILE 46 HA ILE 46 2.630 9.262 -7.572 367 HB ILE 46 HB ILE 46 1.865 7.330 -5.349 368 1HG1 ILE 46 1HG1 ILE 46 1.484 10.347 -5.604 369 2HG1 ILE 46 2HG1 ILE 46 0.192 9.162 -5.815 370 1HG2 ILE 46 1HG2 ILE 46 4.271 7.881 -5.371 371 2HG2 ILE 46 2HG2 ILE 46 3.855 9.615 -5.440 372 3HG2 ILE 46 3HG2 ILE 46 3.419 8.628 -4.013 373 1HD1 ILE 46 1HD1 ILE 46 0.513 8.382 -3.461 374 2HD1 ILE 46 2HD1 ILE 46 1.653 9.731 -3.226 375 3HD1 ILE 46 3HD1 ILE 46 -0.028 10.036 -3.690 376 H GLU 47 H GLU 47 3.905 8.446 -9.232 377 HA GLU 47 HA GLU 47 4.537 5.620 -9.456 378 1HB GLU 47 1HB GLU 47 5.593 8.040 -10.972 379 2HB GLU 47 2HB GLU 47 5.903 6.337 -11.364 380 1HG GLU 47 1HG GLU 47 3.424 5.973 -11.575 381 2HG GLU 47 2HG GLU 47 3.171 7.715 -11.364 382 H LYS 48 H LYS 48 6.161 8.484 -8.095 383 HA LYS 48 HA LYS 48 8.709 7.101 -7.706 384 1HB LYS 48 1HB LYS 48 7.709 9.724 -6.550 385 2HB LYS 48 2HB LYS 48 9.380 9.107 -6.538 386 1HG LYS 48 1HG LYS 48 9.200 9.051 -9.107 387 2HG LYS 48 2HG LYS 48 7.730 10.017 -8.926 388 1HD LYS 48 1HD LYS 48 10.545 10.790 -8.009 389 2HD LYS 48 2HD LYS 48 9.682 11.379 -9.430 390 1HE LYS 48 1HE LYS 48 9.387 13.125 -7.947 391 2HE LYS 48 2HE LYS 48 7.866 12.240 -7.777 392 1HZ LYS 48 1HZ LYS 48 10.200 12.062 -5.986 393 2HZ LYS 48 2HZ LYS 48 8.816 12.892 -5.682 394 3HZ LYS 48 3HZ LYS 48 8.784 11.250 -5.779 395 H VAL 49 H VAL 49 7.628 5.218 -6.668 396 HA VAL 49 HA VAL 49 6.907 5.622 -3.815 397 HB VAL 49 HB VAL 49 6.910 3.047 -5.430 398 1HG1 VAL 49 1HG1 VAL 49 5.504 3.824 -2.829 399 2HG1 VAL 49 2HG1 VAL 49 5.425 2.251 -3.648 400 3HG1 VAL 49 3HG1 VAL 49 6.946 2.789 -2.926 401 1HG2 VAL 49 1HG2 VAL 49 5.333 4.529 -6.500 402 2HG2 VAL 49 2HG2 VAL 49 4.420 3.386 -5.514 403 3HG2 VAL 49 3HG2 VAL 49 4.670 5.047 -4.934 404 H GLU 50 H GLU 50 8.337 5.151 -2.229 405 HA GLU 50 HA GLU 50 11.110 4.387 -2.860 406 1HB GLU 50 1HB GLU 50 10.424 6.327 -1.375 407 2HB GLU 50 2HB GLU 50 9.808 5.129 -0.219 408 1HG GLU 50 1HG GLU 50 12.032 4.194 0.077 409 2HG GLU 50 2HG GLU 50 12.682 5.274 -1.169 410 H HIS 51 H HIS 51 9.805 2.239 -3.591 411 HA HIS 51 HA HIS 51 8.636 0.692 -1.452 412 1HB HIS 51 1HB HIS 51 8.510 -1.078 -3.328 413 2HB HIS 51 2HB HIS 51 7.636 0.435 -3.565 414 HD2 HIS 51 HD2 HIS 51 11.300 -0.744 -4.603 415 HE1 HIS 51 HE1 HIS 51 9.615 1.635 -7.664 416 HE2 HIS 51 HE2 HIS 51 11.682 0.300 -6.969 417 H SER 52 H SER 52 9.254 -1.412 -0.760 418 HA SER 52 HA SER 52 12.149 -2.066 -0.945 419 1HB SER 52 1HB SER 52 11.702 -3.682 0.837 420 2HB SER 52 2HB SER 52 11.281 -2.033 1.332 421 HG SER 52 HG SER 52 9.681 -3.540 1.906 422 H ASP 53 H ASP 53 12.725 -4.153 -1.784 423 HA ASP 53 HA ASP 53 11.270 -4.808 -4.105 424 1HB ASP 53 1HB ASP 53 13.528 -6.288 -2.692 425 2HB ASP 53 2HB ASP 53 12.899 -6.697 -4.296 426 H LEU 54 H LEU 54 12.065 -7.314 -1.659 427 HA LEU 54 HA LEU 54 9.309 -8.085 -1.291 428 1HB LEU 54 1HB LEU 54 9.744 -8.938 -3.560 429 2HB LEU 54 2HB LEU 54 11.134 -9.850 -2.983 430 HG LEU 54 HG LEU 54 8.793 -10.947 -3.414 431 1HD1 LEU 54 1HD1 LEU 54 10.383 -11.601 -0.922 432 2HD1 LEU 54 2HD1 LEU 54 9.229 -12.672 -1.726 433 3HD1 LEU 54 3HD1 LEU 54 10.708 -12.196 -2.573 434 1HD2 LEU 54 1HD2 LEU 54 7.537 -9.414 -1.827 435 2HD2 LEU 54 2HD2 LEU 54 7.304 -11.133 -1.521 436 3HD2 LEU 54 3HD2 LEU 54 8.408 -10.282 -0.510 437 H SER 55 H SER 55 9.233 -8.719 0.734 438 HA SER 55 HA SER 55 11.546 -10.107 2.023 439 1HB SER 55 1HB SER 55 11.268 -7.760 2.844 440 2HB SER 55 2HB SER 55 9.595 -8.126 3.288 441 HG SER 55 HG SER 55 11.952 -9.350 4.293 442 H PHE 56 H PHE 56 10.508 -12.141 1.322 443 HA PHE 56 HA PHE 56 7.795 -12.633 2.262 444 1HB PHE 56 1HB PHE 56 7.881 -14.725 1.271 445 2HB PHE 56 2HB PHE 56 8.545 -13.544 0.159 446 HD1 PHE 56 HD1 PHE 56 11.202 -13.436 0.017 447 HD2 PHE 56 HD2 PHE 56 8.904 -16.776 1.476 448 HE1 PHE 56 HE1 PHE 56 13.167 -14.904 -0.263 449 HE2 PHE 56 HE2 PHE 56 10.887 -18.247 1.211 450 HZ PHE 56 HZ PHE 56 13.028 -17.308 0.358 451 H SER 57 H SER 57 9.667 -11.914 4.368 452 HA SER 57 HA SER 57 10.597 -12.505 6.323 453 1HB SER 57 1HB SER 57 9.050 -13.670 7.833 454 2HB SER 57 2HB SER 57 8.208 -12.492 6.820 455 HG SER 57 HG SER 57 7.655 -14.296 5.437 456 H LYS 58 H LYS 58 12.276 -13.781 4.763 457 HA LYS 58 HA LYS 58 11.522 -15.534 3.127 458 1HB LYS 58 1HB LYS 58 14.183 -15.965 4.552 459 2HB LYS 58 2HB LYS 58 13.796 -16.509 2.928 460 1HG LYS 58 1HG LYS 58 14.383 -14.596 2.016 461 2HG LYS 58 2HG LYS 58 13.264 -13.665 2.998 462 1HD LYS 58 1HD LYS 58 16.076 -14.536 3.825 463 2HD LYS 58 2HD LYS 58 15.633 -12.940 3.196 464 1HE LYS 58 1HE LYS 58 14.112 -12.589 5.141 465 2HE LYS 58 2HE LYS 58 14.619 -14.152 5.813 466 1HZ LYS 58 1HZ LYS 58 16.854 -13.316 5.893 467 2HZ LYS 58 2HZ LYS 58 16.367 -11.854 5.306 468 3HZ LYS 58 3HZ LYS 58 15.828 -12.375 6.773 469 H ASP 59 H ASP 59 9.828 -16.429 4.967 470 HA ASP 59 HA ASP 59 10.319 -19.343 5.078 471 1HB ASP 59 1HB ASP 59 8.436 -17.448 6.506 472 2HB ASP 59 2HB ASP 59 8.317 -19.208 6.599 473 H TRP 60 H TRP 60 7.444 -17.249 4.749 474 HA TRP 60 HA TRP 60 6.477 -18.482 2.295 475 1HB TRP 60 1HB TRP 60 5.631 -19.448 4.989 476 2HB TRP 60 2HB TRP 60 4.313 -19.022 3.908 477 HD1 TRP 60 HD1 TRP 60 6.810 -21.738 4.477 478 HE1 TRP 60 HE1 TRP 60 6.556 -23.575 2.675 479 HE3 TRP 60 HE3 TRP 60 3.624 -19.328 1.273 480 HZ2 TRP 60 HZ2 TRP 60 5.218 -23.913 0.170 481 HZ3 TRP 60 HZ3 TRP 60 2.894 -20.426 -0.822 482 HH2 TRP 60 HH2 TRP 60 3.703 -22.703 -1.395 483 H SER 61 H SER 61 5.621 -16.504 5.185 484 HA SER 61 HA SER 61 3.457 -15.117 3.996 485 1HB SER 61 1HB SER 61 3.908 -15.157 6.414 486 2HB SER 61 2HB SER 61 5.367 -14.187 6.182 487 HG SER 61 HG SER 61 2.729 -13.415 5.470 488 H PHE 62 H PHE 62 3.767 -14.298 2.017 489 HA PHE 62 HA PHE 62 6.238 -13.152 1.031 490 1HB PHE 62 1HB PHE 62 4.471 -14.915 0.039 491 2HB PHE 62 2HB PHE 62 3.771 -13.437 -0.613 492 HD1 PHE 62 HD1 PHE 62 5.049 -12.072 -2.274 493 HD2 PHE 62 HD2 PHE 62 6.651 -15.761 -0.678 494 HE1 PHE 62 HE1 PHE 62 6.815 -12.044 -3.925 495 HE2 PHE 62 HE2 PHE 62 8.285 -15.836 -2.484 496 HZ PHE 62 HZ PHE 62 8.397 -13.961 -4.147 497 H TYR 63 H TYR 63 6.520 -10.845 0.932 498 HA TYR 63 HA TYR 63 4.144 -9.122 0.632 499 1HB TYR 63 1HB TYR 63 4.406 -8.069 2.816 500 2HB TYR 63 2HB TYR 63 3.908 -9.769 2.853 501 HD1 TYR 63 HD1 TYR 63 6.840 -7.574 3.361 502 HD2 TYR 63 HD2 TYR 63 4.774 -11.217 4.343 503 HE1 TYR 63 HE1 TYR 63 8.112 -7.713 5.420 504 HE2 TYR 63 HE2 TYR 63 6.094 -11.437 6.370 505 HH TYR 63 HH TYR 63 7.716 -10.465 7.741 506 H LEU 64 H LEU 64 4.788 -6.786 1.115 507 HA LEU 64 HA LEU 64 7.521 -6.012 0.777 508 1HB LEU 64 1HB LEU 64 7.570 -5.242 -1.477 509 2HB LEU 64 2HB LEU 64 7.170 -6.955 -1.500 510 HG LEU 64 HG LEU 64 5.325 -4.605 -1.997 511 1HD1 LEU 64 1HD1 LEU 64 5.922 -6.978 -3.820 512 2HD1 LEU 64 2HD1 LEU 64 5.022 -5.518 -4.219 513 3HD1 LEU 64 3HD1 LEU 64 6.767 -5.414 -3.943 514 1HD2 LEU 64 1HD2 LEU 64 4.772 -7.557 -1.626 515 2HD2 LEU 64 2HD2 LEU 64 3.880 -6.189 -0.889 516 3HD2 LEU 64 3HD2 LEU 64 3.690 -6.569 -2.602 517 H LEU 65 H LEU 65 7.763 -3.782 1.040 518 HA LEU 65 HA LEU 65 5.366 -2.465 2.152 519 1HB LEU 65 1HB LEU 65 7.819 -3.025 3.209 520 2HB LEU 65 2HB LEU 65 8.147 -1.422 2.562 521 HG LEU 65 HG LEU 65 5.900 -2.182 4.473 522 1HD1 LEU 65 1HD1 LEU 65 8.131 -2.415 5.491 523 2HD1 LEU 65 2HD1 LEU 65 8.572 -0.784 4.944 524 3HD1 LEU 65 3HD1 LEU 65 7.300 -1.000 6.166 525 1HD2 LEU 65 1HD2 LEU 65 5.457 -0.110 3.050 526 2HD2 LEU 65 2HD2 LEU 65 5.531 0.144 4.796 527 3HD2 LEU 65 3HD2 LEU 65 6.912 0.603 3.791 528 H TYR 66 H TYR 66 4.547 -0.696 1.078 529 HA TYR 66 HA TYR 66 6.098 0.445 -1.217 530 1HB TYR 66 1HB TYR 66 3.083 0.110 -1.102 531 2HB TYR 66 2HB TYR 66 4.076 0.542 -2.482 532 HD1 TYR 66 HD1 TYR 66 4.696 -1.238 -4.039 533 HD2 TYR 66 HD2 TYR 66 3.343 -2.303 -0.073 534 HE1 TYR 66 HE1 TYR 66 3.748 -3.342 -4.899 535 HE2 TYR 66 HE2 TYR 66 2.310 -4.329 -0.969 536 HH TYR 66 HH TYR 66 2.288 -5.065 -4.487 537 H TYR 67 H TYR 67 6.817 2.196 -0.157 538 HA TYR 67 HA TYR 67 4.845 3.940 1.203 539 1HB TYR 67 1HB TYR 67 6.718 4.540 2.634 540 2HB TYR 67 2HB TYR 67 6.039 2.937 2.725 541 HD1 TYR 67 HD1 TYR 67 7.340 0.999 1.500 542 HD2 TYR 67 HD2 TYR 67 9.030 4.824 2.462 543 HE1 TYR 67 HE1 TYR 67 9.583 -0.023 1.589 544 HE2 TYR 67 HE2 TYR 67 11.243 3.763 2.807 545 HH TYR 67 HH TYR 67 12.483 1.834 2.617 546 H THR 68 H THR 68 4.940 6.005 0.980 547 HA THR 68 HA THR 68 6.883 7.330 -0.906 548 HB THR 68 HB THR 68 4.874 6.596 -2.013 549 HG1 THR 68 HG1 THR 68 6.083 8.309 -2.770 550 1HG2 THR 68 1HG2 THR 68 2.780 7.774 -1.726 551 2HG2 THR 68 2HG2 THR 68 3.214 7.065 -0.158 552 3HG2 THR 68 3HG2 THR 68 3.454 8.802 -0.456 553 H GLU 69 H GLU 69 7.163 9.629 -0.638 554 HA GLU 69 HA GLU 69 6.763 10.654 2.056 555 1HB GLU 69 1HB GLU 69 8.867 10.892 0.674 556 2HB GLU 69 2HB GLU 69 7.965 12.030 -0.331 557 1HG GLU 69 1HG GLU 69 7.467 13.324 1.824 558 2HG GLU 69 2HG GLU 69 8.587 12.240 2.643 559 H PHE 70 H PHE 70 4.318 10.527 1.823 560 HA PHE 70 HA PHE 70 3.043 12.004 -0.264 561 1HB PHE 70 1HB PHE 70 1.028 11.294 0.543 562 2HB PHE 70 2HB PHE 70 2.076 9.979 1.042 563 HD1 PHE 70 HD1 PHE 70 2.994 10.256 3.452 564 HD2 PHE 70 HD2 PHE 70 -0.502 12.323 2.078 565 HE1 PHE 70 HE1 PHE 70 2.021 10.196 5.764 566 HE2 PHE 70 HE2 PHE 70 -1.049 12.864 4.419 567 HZ PHE 70 HZ PHE 70 0.149 11.726 6.280 568 H THR 71 H THR 71 2.263 13.984 -0.335 569 HA THR 71 HA THR 71 2.625 15.819 1.974 570 HB THR 71 HB THR 71 2.199 16.561 -0.905 571 HG1 THR 71 HG1 THR 71 4.584 16.063 0.530 572 1HG2 THR 71 1HG2 THR 71 3.329 18.046 1.513 573 2HG2 THR 71 2HG2 THR 71 3.207 18.683 -0.136 574 3HG2 THR 71 3HG2 THR 71 1.738 18.331 0.792 575 HA PRO 72 HA PRO 72 -1.995 15.336 1.829 576 1HB PRO 72 1HB PRO 72 -2.555 16.345 4.335 577 2HB PRO 72 2HB PRO 72 -2.108 14.666 4.005 578 1HG PRO 72 1HG PRO 72 -0.369 16.926 5.000 579 2HG PRO 72 2HG PRO 72 -0.349 15.218 5.526 580 1HD PRO 72 1HD PRO 72 1.446 16.333 3.783 581 2HD PRO 72 2HD PRO 72 1.005 14.605 3.728 582 H THR 73 H THR 73 -2.671 16.915 0.406 583 HA THR 73 HA THR 73 -2.579 19.770 1.193 584 HB THR 73 HB THR 73 -3.666 20.243 -0.836 585 HG1 THR 73 HG1 THR 73 -4.279 18.164 -2.093 586 1HG2 THR 73 1HG2 THR 73 -1.856 17.881 -1.517 587 2HG2 THR 73 2HG2 THR 73 -2.316 19.230 -2.568 588 3HG2 THR 73 3HG2 THR 73 -1.299 19.530 -1.145 589 H GLU 74 H GLU 74 -4.919 20.796 1.177 590 HA GLU 74 HA GLU 74 -6.429 19.575 3.257 591 1HB GLU 74 1HB GLU 74 -6.215 22.008 2.803 592 2HB GLU 74 2HB GLU 74 -7.206 21.821 1.352 593 1HG GLU 74 1HG GLU 74 -9.102 21.041 2.809 594 2HG GLU 74 2HG GLU 74 -8.064 21.252 4.229 595 H LYS 75 H LYS 75 -6.552 19.190 -0.227 596 HA LYS 75 HA LYS 75 -9.257 17.948 -0.120 597 1HB LYS 75 1HB LYS 75 -7.611 19.193 -2.340 598 2HB LYS 75 2HB LYS 75 -9.035 18.195 -2.639 599 1HG LYS 75 1HG LYS 75 -9.675 20.485 -2.721 600 2HG LYS 75 2HG LYS 75 -10.462 19.711 -1.340 601 1HD LYS 75 1HD LYS 75 -9.130 20.880 0.226 602 2HD LYS 75 2HD LYS 75 -7.892 21.290 -0.993 603 1HE LYS 75 1HE LYS 75 -9.493 22.789 -2.121 604 2HE LYS 75 2HE LYS 75 -10.748 22.371 -0.936 605 1HZ LYS 75 1HZ LYS 75 -8.190 23.673 -0.303 606 2HZ LYS 75 2HZ LYS 75 -9.644 24.433 -0.446 607 3HZ LYS 75 3HZ LYS 75 -9.401 23.346 0.764 608 H ASP 76 H ASP 76 -5.870 17.181 -0.774 609 HA ASP 76 HA ASP 76 -6.496 14.742 -2.281 610 1HB ASP 76 1HB ASP 76 -3.906 15.950 -1.268 611 2HB ASP 76 2HB ASP 76 -3.993 14.343 -1.979 612 H GLU 77 H GLU 77 -7.547 13.223 -1.138 613 HA GLU 77 HA GLU 77 -6.446 12.281 1.465 614 1HB GLU 77 1HB GLU 77 -8.911 12.485 1.256 615 2HB GLU 77 2HB GLU 77 -8.883 11.323 -0.086 616 1HG GLU 77 1HG GLU 77 -7.876 9.617 1.450 617 2HG GLU 77 2HG GLU 77 -7.922 10.800 2.767 618 H TYR 78 H TYR 78 -4.722 10.932 1.221 619 HA TYR 78 HA TYR 78 -4.202 9.624 -1.318 620 1HB TYR 78 1HB TYR 78 -2.687 9.664 1.304 621 2HB TYR 78 2HB TYR 78 -2.227 8.684 -0.076 622 HD1 TYR 78 HD1 TYR 78 -3.147 12.283 0.660 623 HD2 TYR 78 HD2 TYR 78 -0.518 9.549 -1.374 624 HE1 TYR 78 HE1 TYR 78 -2.009 14.184 -0.433 625 HE2 TYR 78 HE2 TYR 78 0.786 11.490 -2.251 626 HH TYR 78 HH TYR 78 -0.061 14.860 -1.487 627 H ALA 79 H ALA 79 -4.099 7.433 -1.703 628 HA ALA 79 HA ALA 79 -5.168 5.517 0.249 629 1HB ALA 79 1HB ALA 79 -7.186 6.397 -0.875 630 2HB ALA 79 2HB ALA 79 -6.446 6.129 -2.467 631 3HB ALA 79 3HB ALA 79 -6.883 4.750 -1.461 632 H CYS 80 H CYS 80 -5.278 3.279 -0.804 633 HA CYS 80 HA CYS 80 -2.851 2.799 -2.485 634 1HB CYS 80 1HB CYS 80 -3.919 0.951 -0.344 635 2HB CYS 80 2HB CYS 80 -2.344 0.917 -1.121 636 H ARG 81 H ARG 81 -3.456 1.829 -4.410 637 HA ARG 81 HA ARG 81 -5.967 0.363 -4.739 638 1HB ARG 81 1HB ARG 81 -4.835 1.365 -6.669 639 2HB ARG 81 2HB ARG 81 -3.386 0.420 -6.304 640 1HG ARG 81 1HG ARG 81 -4.762 -1.694 -6.680 641 2HG ARG 81 2HG ARG 81 -6.077 -0.647 -7.248 642 1HD ARG 81 1HD ARG 81 -4.548 0.224 -9.025 643 2HD ARG 81 2HD ARG 81 -3.250 -0.791 -8.353 644 HE ARG 81 HE ARG 81 -5.638 -2.284 -9.058 645 1HH1 ARG 81 1HH2 ARG 81 -2.561 -0.989 -10.374 646 2HH1 ARG 81 2HH2 ARG 81 -2.402 -2.327 -11.495 647 1HH2 ARG 81 1HH1 ARG 81 -5.389 -3.937 -10.646 648 2HH2 ARG 81 2HH1 ARG 81 -3.929 -3.968 -11.609 649 H VAL 82 H VAL 82 -6.223 -1.910 -4.219 650 HA VAL 82 HA VAL 82 -3.746 -3.444 -3.600 651 HB VAL 82 HB VAL 82 -6.396 -3.657 -2.110 652 1HG1 VAL 82 1HG1 VAL 82 -3.635 -4.861 -1.676 653 2HG1 VAL 82 2HG1 VAL 82 -5.046 -5.074 -0.611 654 3HG1 VAL 82 3HG1 VAL 82 -5.072 -5.729 -2.260 655 1HG2 VAL 82 1HG2 VAL 82 -5.354 -1.524 -1.481 656 2HG2 VAL 82 2HG2 VAL 82 -5.136 -2.700 -0.187 657 3HG2 VAL 82 3HG2 VAL 82 -3.781 -2.325 -1.268 658 H ASN 83 H ASN 83 -3.574 -4.617 -5.428 659 HA ASN 83 HA ASN 83 -5.906 -6.284 -6.230 660 1HB ASN 83 1HB ASN 83 -5.711 -4.258 -7.697 661 2HB ASN 83 2HB ASN 83 -4.103 -4.777 -8.149 662 1HD2 ASN 83 2HD2 ASN 83 -7.365 -6.375 -7.779 663 2HD2 ASN 83 1HD2 ASN 83 -7.276 -7.232 -9.299 664 H HIS 84 H HIS 84 -4.715 -7.961 -4.991 665 HA HIS 84 HA HIS 84 -2.120 -8.977 -5.944 666 1HB HIS 84 1HB HIS 84 -2.832 -9.298 -3.642 667 2HB HIS 84 2HB HIS 84 -4.282 -10.146 -4.190 668 HD2 HIS 84 HD2 HIS 84 -0.361 -10.765 -4.209 669 HE1 HIS 84 HE1 HIS 84 -2.423 -14.453 -4.284 670 HE2 HIS 84 HE2 HIS 84 -0.098 -13.351 -4.155 671 H VAL 85 H VAL 85 -2.054 -11.105 -7.108 672 HA VAL 85 HA VAL 85 -3.697 -11.247 -9.342 673 HB VAL 85 HB VAL 85 -1.531 -12.291 -9.222 674 1HG1 VAL 85 1HG1 VAL 85 -2.776 -14.444 -7.455 675 2HG1 VAL 85 2HG1 VAL 85 -1.178 -14.513 -8.214 676 3HG1 VAL 85 3HG1 VAL 85 -1.510 -13.278 -6.997 677 1HG2 VAL 85 1HG2 VAL 85 -3.683 -14.324 -9.917 678 2HG2 VAL 85 2HG2 VAL 85 -3.143 -12.982 -10.951 679 3HG2 VAL 85 3HG2 VAL 85 -2.018 -14.282 -10.524 680 H THR 86 H THR 86 -4.240 -12.821 -6.185 681 HA THR 86 HA THR 86 -6.480 -14.368 -7.187 682 HB THR 86 HB THR 86 -4.803 -14.920 -5.297 683 HG1 THR 86 HG1 THR 86 -6.525 -16.206 -6.033 684 1HG2 THR 86 1HG2 THR 86 -7.065 -13.804 -3.611 685 2HG2 THR 86 2HG2 THR 86 -5.504 -14.477 -3.080 686 3HG2 THR 86 3HG2 THR 86 -5.569 -12.890 -3.886 687 H LEU 87 H LEU 87 -6.138 -11.090 -5.971 688 HA LEU 87 HA LEU 87 -8.953 -10.782 -5.231 689 1HB LEU 87 1HB LEU 87 -6.533 -9.026 -5.465 690 2HB LEU 87 2HB LEU 87 -8.096 -8.275 -5.753 691 HG LEU 87 HG LEU 87 -8.955 -9.006 -3.616 692 1HD1 LEU 87 1HD1 LEU 87 -7.575 -11.071 -3.285 693 2HD1 LEU 87 2HD1 LEU 87 -6.145 -10.049 -3.051 694 3HD1 LEU 87 3HD1 LEU 87 -7.492 -9.967 -1.904 695 1HD2 LEU 87 1HD2 LEU 87 -6.278 -7.546 -3.467 696 2HD2 LEU 87 2HD2 LEU 87 -7.855 -6.819 -3.839 697 3HD2 LEU 87 3HD2 LEU 87 -7.550 -7.493 -2.227 698 H SER 88 H SER 88 -10.373 -11.243 -6.833 699 HA SER 88 HA SER 88 -9.948 -10.402 -9.599 700 1HB SER 88 1HB SER 88 -12.444 -11.505 -8.251 701 2HB SER 88 2HB SER 88 -12.108 -11.413 -9.993 702 HG SER 88 HG SER 88 -10.277 -12.788 -9.561 703 H GLN 89 H GLN 89 -9.715 -8.186 -7.810 704 HA GLN 89 HA GLN 89 -11.439 -6.322 -9.049 705 1HB GLN 89 1HB GLN 89 -12.409 -5.483 -6.865 706 2HB GLN 89 2HB GLN 89 -13.170 -6.915 -7.563 707 1HG GLN 89 1HG GLN 89 -11.979 -8.364 -5.964 708 2HG GLN 89 2HG GLN 89 -11.101 -6.969 -5.317 709 1HE2 GLN 89 2HE2 GLN 89 -14.487 -8.068 -5.932 710 2HE2 GLN 89 1HE2 GLN 89 -15.139 -7.393 -4.453 711 HA PRO 90 HA PRO 90 -7.824 -4.144 -7.319 712 1HB PRO 90 1HB PRO 90 -8.079 -1.726 -8.549 713 2HB PRO 90 2HB PRO 90 -7.659 -3.198 -9.471 714 1HG PRO 90 1HG PRO 90 -10.379 -1.893 -9.226 715 2HG PRO 90 2HG PRO 90 -9.574 -2.510 -10.690 716 1HD PRO 90 1HD PRO 90 -11.440 -3.938 -9.192 717 2HD PRO 90 2HD PRO 90 -10.176 -4.706 -10.201 718 H LYS 91 H LYS 91 -8.509 -4.171 -5.164 719 HA LYS 91 HA LYS 91 -10.841 -2.629 -4.314 720 1HB LYS 91 1HB LYS 91 -10.273 -4.939 -3.538 721 2HB LYS 91 2HB LYS 91 -8.881 -4.277 -2.668 722 1HG LYS 91 1HG LYS 91 -10.453 -2.810 -1.367 723 2HG LYS 91 2HG LYS 91 -11.813 -3.529 -2.259 724 1HD LYS 91 1HD LYS 91 -11.073 -5.797 -1.442 725 2HD LYS 91 2HD LYS 91 -9.871 -5.000 -0.414 726 1HE LYS 91 1HE LYS 91 -12.902 -4.589 -0.292 727 2HE LYS 91 2HE LYS 91 -11.960 -5.619 0.799 728 1HZ LYS 91 1HZ LYS 91 -11.656 -2.712 0.527 729 2HZ LYS 91 2HZ LYS 91 -12.405 -3.500 1.762 730 3HZ LYS 91 3HZ LYS 91 -10.784 -3.682 1.537 731 H ILE 92 H ILE 92 -10.520 -0.425 -4.155 732 HA ILE 92 HA ILE 92 -7.870 0.610 -3.610 733 HB ILE 92 HB ILE 92 -10.387 2.247 -3.943 734 1HG1 ILE 92 1HG1 ILE 92 -10.452 0.794 -5.847 735 2HG1 ILE 92 2HG1 ILE 92 -9.873 2.374 -6.347 736 1HG2 ILE 92 1HG2 ILE 92 -7.414 2.714 -4.476 737 2HG2 ILE 92 2HG2 ILE 92 -8.715 3.858 -4.868 738 3HG2 ILE 92 3HG2 ILE 92 -8.382 3.429 -3.180 739 1HD1 ILE 92 1HD1 ILE 92 -7.536 1.516 -6.403 740 2HD1 ILE 92 2HD1 ILE 92 -8.120 -0.088 -5.905 741 3HD1 ILE 92 3HD1 ILE 92 -8.621 0.597 -7.456 742 H VAL 93 H VAL 93 -7.633 -0.338 -1.506 743 HA VAL 93 HA VAL 93 -9.257 0.528 0.733 744 HB VAL 93 HB VAL 93 -6.493 -0.760 0.684 745 1HG1 VAL 93 1HG1 VAL 93 -6.981 0.266 2.858 746 2HG1 VAL 93 2HG1 VAL 93 -8.596 -0.477 2.877 747 3HG1 VAL 93 3HG1 VAL 93 -7.145 -1.490 2.980 748 1HG2 VAL 93 1HG2 VAL 93 -8.087 -2.228 -0.459 749 2HG2 VAL 93 2HG2 VAL 93 -7.748 -2.872 1.147 750 3HG2 VAL 93 3HG2 VAL 93 -9.269 -2.004 0.847 751 H LYS 94 H LYS 94 -9.244 2.673 1.303 752 HA LYS 94 HA LYS 94 -6.930 4.301 0.718 753 1HB LYS 94 1HB LYS 94 -8.161 6.159 1.454 754 2HB LYS 94 2HB LYS 94 -9.176 5.177 0.397 755 1HG LYS 94 1HG LYS 94 -10.504 4.390 2.254 756 2HG LYS 94 2HG LYS 94 -9.347 5.033 3.444 757 1HD LYS 94 1HD LYS 94 -9.740 7.322 2.611 758 2HD LYS 94 2HD LYS 94 -10.963 6.710 1.478 759 1HE LYS 94 1HE LYS 94 -12.337 5.946 3.392 760 2HE LYS 94 2HE LYS 94 -11.075 6.488 4.523 761 1HZ LYS 94 1HZ LYS 94 -12.599 8.203 2.695 762 2HZ LYS 94 2HZ LYS 94 -12.764 8.131 4.338 763 3HZ LYS 94 3HZ LYS 94 -11.377 8.718 3.661 764 H TRP 95 H TRP 95 -5.982 5.786 2.257 765 HA TRP 95 HA TRP 95 -5.122 4.471 4.757 766 1HB TRP 95 1HB TRP 95 -3.383 5.419 3.339 767 2HB TRP 95 2HB TRP 95 -4.305 6.882 3.138 768 HD1 TRP 95 HD1 TRP 95 -2.774 5.200 6.313 769 HE1 TRP 95 HE1 TRP 95 -1.695 7.083 7.715 770 HE3 TRP 95 HE3 TRP 95 -3.589 9.147 3.179 771 HZ2 TRP 95 HZ2 TRP 95 -1.677 9.970 7.696 772 HZ3 TRP 95 HZ3 TRP 95 -2.912 11.422 3.851 773 HH2 TRP 95 HH2 TRP 95 -2.214 11.874 6.176 774 H ASP 96 H ASP 96 -5.324 5.552 6.771 775 HA ASP 96 HA ASP 96 -7.040 7.945 6.941 776 1HB ASP 96 1HB ASP 96 -8.510 6.000 7.443 777 2HB ASP 96 2HB ASP 96 -7.359 5.452 8.673 778 H ARG 97 H ARG 97 -6.670 9.053 8.985 779 HA ARG 97 HA ARG 97 -3.836 9.377 9.384 780 1HB ARG 97 1HB ARG 97 -5.583 11.173 9.206 781 2HB ARG 97 2HB ARG 97 -6.150 10.739 10.824 782 1HG ARG 97 1HG ARG 97 -3.863 11.297 11.716 783 2HG ARG 97 2HG ARG 97 -3.344 11.680 10.060 784 1HD ARG 97 1HD ARG 97 -5.218 13.381 9.954 785 2HD ARG 97 2HD ARG 97 -5.494 13.101 11.687 786 HE ARG 97 HE ARG 97 -2.756 13.670 11.378 787 1HH1 ARG 97 1HH2 ARG 97 -5.823 15.377 10.839 788 2HH1 ARG 97 2HH2 ARG 97 -5.097 16.961 10.947 789 1HH2 ARG 97 1HH1 ARG 97 -1.823 15.722 11.474 790 2HH2 ARG 97 2HH1 ARG 97 -2.800 17.166 11.333 791 H ASP 98 H ASP 98 -3.509 7.179 10.162 792 HA ASP 98 HA ASP 98 -3.710 6.828 13.098 793 1HB ASP 98 1HB ASP 98 -5.757 5.856 12.117 794 2HB ASP 98 2HB ASP 98 -4.792 4.925 10.967 795 H MET 99 H MET 99 -1.455 7.250 12.972 796 HA MET 99 HA MET 99 0.309 5.530 11.426 797 1HB MET 99 1HB MET 99 2.119 6.712 12.546 798 2HB MET 99 2HB MET 99 0.945 7.832 11.847 799 1HG MET 99 1HG MET 99 -0.012 8.160 14.148 800 2HG MET 99 2HG MET 99 1.271 7.108 14.775 801 1HE MET 99 1HE MET 99 2.445 8.765 16.414 802 2HE MET 99 2HE MET 99 2.595 10.500 16.056 803 3HE MET 99 3HE MET 99 0.985 9.747 16.135 Start of MODEL 14 1 1H MET 0 1H MET 0 -2.766 -24.127 -7.132 2 2H MET 0 2H MET 0 -4.099 -23.839 -6.199 3 3H MET 0 3H MET 0 -3.288 -22.580 -6.870 4 HA MET 0 HA MET 0 -2.244 -24.421 -4.867 5 1HB MET 0 1HB MET 0 -0.321 -22.907 -4.685 6 2HB MET 0 2HB MET 0 -0.471 -23.602 -6.301 7 1HG MET 0 1HG MET 0 -1.462 -21.505 -7.137 8 2HG MET 0 2HG MET 0 -1.352 -20.789 -5.522 9 1HE MET 0 1HE MET 0 -0.066 -19.968 -8.622 10 2HE MET 0 2HE MET 0 -0.302 -18.880 -7.234 11 3HE MET 0 3HE MET 0 1.309 -19.045 -7.979 12 H ILE 1 H ILE 1 -1.694 -23.259 -2.792 13 HA ILE 1 HA ILE 1 -4.097 -22.351 -1.700 14 HB ILE 1 HB ILE 1 -2.452 -23.652 -0.570 15 1HG1 ILE 1 1HG1 ILE 1 -4.214 -22.321 0.652 16 2HG1 ILE 1 2HG1 ILE 1 -2.853 -22.965 1.567 17 1HG2 ILE 1 1HG2 ILE 1 -0.755 -21.152 -0.400 18 2HG2 ILE 1 2HG2 ILE 1 -0.490 -22.659 0.503 19 3HG2 ILE 1 3HG2 ILE 1 -0.380 -22.654 -1.267 20 1HD1 ILE 1 1HD1 ILE 1 -1.790 -20.759 1.656 21 2HD1 ILE 1 2HD1 ILE 1 -3.131 -20.056 0.721 22 3HD1 ILE 1 3HD1 ILE 1 -3.423 -20.729 2.329 23 H GLN 2 H GLN 2 -5.062 -20.444 -1.641 24 HA GLN 2 HA GLN 2 -3.709 -18.058 -2.743 25 1HB GLN 2 1HB GLN 2 -6.630 -18.671 -2.146 26 2HB GLN 2 2HB GLN 2 -6.004 -17.187 -2.876 27 1HG GLN 2 1HG GLN 2 -5.072 -18.543 -4.763 28 2HG GLN 2 2HG GLN 2 -5.818 -19.993 -4.071 29 1HE2 GLN 2 2HE2 GLN 2 -6.524 -19.436 -6.607 30 2HE2 GLN 2 1HE2 GLN 2 -8.143 -18.772 -6.680 31 H ARG 3 H ARG 3 -2.416 -17.479 -0.853 32 HA ARG 3 HA ARG 3 -3.734 -16.849 1.661 33 1HB ARG 3 1HB ARG 3 -1.023 -16.014 0.622 34 2HB ARG 3 2HB ARG 3 -1.632 -15.778 2.269 35 1HG ARG 3 1HG ARG 3 -1.921 -18.257 2.473 36 2HG ARG 3 2HG ARG 3 -1.178 -18.449 0.870 37 1HD ARG 3 1HD ARG 3 0.912 -17.373 1.739 38 2HD ARG 3 2HD ARG 3 0.138 -17.188 3.311 39 HE ARG 3 HE ARG 3 0.437 -19.395 3.793 40 1HH1 ARG 3 1HH2 ARG 3 1.173 -18.924 0.343 41 2HH1 ARG 3 2HH2 ARG 3 1.716 -20.562 0.113 42 1HH2 ARG 3 1HH1 ARG 3 1.103 -21.551 3.455 43 2HH2 ARG 3 2HH1 ARG 3 1.671 -22.066 1.888 44 H THR 4 H THR 4 -4.416 -14.884 2.409 45 HA THR 4 HA THR 4 -5.318 -13.025 0.327 46 HB THR 4 HB THR 4 -6.108 -13.411 3.243 47 HG1 THR 4 HG1 THR 4 -6.567 -15.161 1.804 48 1HG2 THR 4 1HG2 THR 4 -7.589 -11.885 1.060 49 2HG2 THR 4 2HG2 THR 4 -8.135 -12.162 2.719 50 3HG2 THR 4 3HG2 THR 4 -6.726 -11.129 2.427 51 HA PRO 5 HA PRO 5 -2.300 -10.018 1.726 52 1HB PRO 5 1HB PRO 5 -3.385 -7.658 0.797 53 2HB PRO 5 2HB PRO 5 -2.601 -8.874 -0.245 54 1HG PRO 5 1HG PRO 5 -5.553 -8.539 0.304 55 2HG PRO 5 2HG PRO 5 -4.736 -8.731 -1.275 56 1HD PRO 5 1HD PRO 5 -5.884 -10.838 -0.024 57 2HD PRO 5 2HD PRO 5 -4.322 -11.047 -0.861 58 H LYS 6 H LYS 6 -2.182 -9.860 3.880 59 HA LYS 6 HA LYS 6 -4.190 -8.528 5.530 60 1HB LYS 6 1HB LYS 6 -2.597 -10.388 6.274 61 2HB LYS 6 2HB LYS 6 -1.298 -9.178 6.206 62 1HG LYS 6 1HG LYS 6 -2.913 -7.748 7.701 63 2HG LYS 6 2HG LYS 6 -3.755 -9.270 7.986 64 1HD LYS 6 1HD LYS 6 -0.824 -8.646 8.623 65 2HD LYS 6 2HD LYS 6 -2.163 -8.727 9.766 66 1HE LYS 6 1HE LYS 6 -1.105 -10.773 10.069 67 2HE LYS 6 2HE LYS 6 -2.470 -11.188 9.022 68 1HZ LYS 6 1HZ LYS 6 0.313 -10.721 8.177 69 2HZ LYS 6 2HZ LYS 6 -0.412 -12.192 8.327 70 3HZ LYS 6 3HZ LYS 6 -0.923 -11.137 7.170 71 H ILE 7 H ILE 7 -4.419 -6.383 5.205 72 HA ILE 7 HA ILE 7 -2.229 -4.687 4.149 73 HB ILE 7 HB ILE 7 -5.204 -4.298 4.470 74 1HG1 ILE 7 1HG1 ILE 7 -3.850 -4.432 1.788 75 2HG1 ILE 7 2HG1 ILE 7 -4.085 -5.957 2.636 76 1HG2 ILE 7 1HG2 ILE 7 -3.067 -2.543 3.195 77 2HG2 ILE 7 2HG2 ILE 7 -4.812 -2.318 2.959 78 3HG2 ILE 7 3HG2 ILE 7 -4.120 -2.143 4.573 79 1HD1 ILE 7 1HD1 ILE 7 -6.315 -3.996 2.019 80 2HD1 ILE 7 2HD1 ILE 7 -5.983 -5.514 1.168 81 3HD1 ILE 7 3HD1 ILE 7 -6.487 -5.546 2.866 82 H GLN 8 H GLN 8 -1.045 -3.373 5.676 83 HA GLN 8 HA GLN 8 -2.588 -2.228 7.916 84 1HB GLN 8 1HB GLN 8 -0.553 -2.624 9.261 85 2HB GLN 8 2HB GLN 8 -1.573 -4.037 8.979 86 1HG GLN 8 1HG GLN 8 0.985 -3.443 7.450 87 2HG GLN 8 2HG GLN 8 0.922 -4.416 8.920 88 1HE2 GLN 8 2HE2 GLN 8 1.626 -5.046 5.986 89 2HE2 GLN 8 1HE2 GLN 8 0.711 -6.511 5.693 90 H VAL 9 H VAL 9 -2.727 -0.474 6.409 91 HA VAL 9 HA VAL 9 -0.355 0.890 5.523 92 HB VAL 9 HB VAL 9 -3.213 1.910 5.744 93 1HG1 VAL 9 1HG1 VAL 9 -1.701 3.774 5.505 94 2HG1 VAL 9 2HG1 VAL 9 -0.757 2.938 4.265 95 3HG1 VAL 9 3HG1 VAL 9 -2.413 3.476 3.917 96 1HG2 VAL 9 1HG2 VAL 9 -3.243 -0.032 4.324 97 2HG2 VAL 9 2HG2 VAL 9 -3.317 1.391 3.285 98 3HG2 VAL 9 3HG2 VAL 9 -1.795 0.490 3.449 99 H TYR 10 H TYR 10 0.886 2.312 6.617 100 HA TYR 10 HA TYR 10 -0.089 3.388 9.220 101 1HB TYR 10 1HB TYR 10 2.769 3.239 8.317 102 2HB TYR 10 2HB TYR 10 2.133 3.464 9.938 103 HD1 TYR 10 HD1 TYR 10 3.592 1.157 7.758 104 HD2 TYR 10 HD2 TYR 10 0.445 1.440 10.679 105 HE1 TYR 10 HE1 TYR 10 3.823 -1.274 8.225 106 HE2 TYR 10 HE2 TYR 10 0.620 -1.007 11.100 107 HH TYR 10 HH TYR 10 1.797 -2.920 10.696 108 H SER 11 H SER 11 0.215 5.473 9.701 109 HA SER 11 HA SER 11 1.200 7.421 7.647 110 1HB SER 11 1HB SER 11 0.247 9.105 9.371 111 2HB SER 11 2HB SER 11 -0.826 8.258 8.268 112 HG SER 11 HG SER 11 -0.429 7.811 11.015 113 H ARG 12 H ARG 12 3.395 7.123 7.905 114 HA ARG 12 HA ARG 12 4.764 6.487 10.302 115 1HB ARG 12 1HB ARG 12 5.667 6.212 8.003 116 2HB ARG 12 2HB ARG 12 5.721 7.975 7.852 117 1HG ARG 12 1HG ARG 12 7.361 8.048 9.765 118 2HG ARG 12 2HG ARG 12 7.355 6.271 9.784 119 1HD ARG 12 1HD ARG 12 8.172 6.254 7.438 120 2HD ARG 12 2HD ARG 12 8.069 8.028 7.405 121 HE ARG 12 HE ARG 12 9.771 7.111 9.533 122 1HH1 ARG 12 1HH2 ARG 12 9.679 7.729 6.023 123 2HH1 ARG 12 2HH2 ARG 12 11.372 8.127 5.926 124 1HH2 ARG 12 1HH1 ARG 12 12.004 7.641 9.371 125 2HH2 ARG 12 2HH1 ARG 12 12.697 8.061 7.826 126 H HIS 13 H HIS 13 3.963 9.605 8.779 127 HA HIS 13 HA HIS 13 4.418 10.932 11.399 128 1HB HIS 13 1HB HIS 13 4.549 12.280 8.699 129 2HB HIS 13 2HB HIS 13 4.898 12.987 10.288 130 HD2 HIS 13 HD2 HIS 13 6.797 11.778 7.378 131 HE1 HIS 13 HE1 HIS 13 9.215 10.620 10.646 132 HE2 HIS 13 HE2 HIS 13 9.156 10.902 8.107 133 HA PRO 14 HA PRO 14 0.097 11.002 11.101 134 1HB PRO 14 1HB PRO 14 -0.632 12.459 13.253 135 2HB PRO 14 2HB PRO 14 0.490 11.089 13.420 136 1HG PRO 14 1HG PRO 14 1.254 14.013 13.084 137 2HG PRO 14 2HG PRO 14 1.738 12.916 14.412 138 1HD PRO 14 1HD PRO 14 3.311 13.286 12.202 139 2HD PRO 14 2HD PRO 14 3.173 11.693 12.996 140 H ALA 15 H ALA 15 0.982 12.658 9.044 141 HA ALA 15 HA ALA 15 0.259 14.098 7.534 142 1HB ALA 15 1HB ALA 15 -1.917 13.057 7.924 143 2HB ALA 15 2HB ALA 15 -2.312 14.282 9.149 144 3HB ALA 15 3HB ALA 15 -2.097 14.760 7.469 145 H GLU 16 H GLU 16 0.430 16.171 6.957 146 HA GLU 16 HA GLU 16 0.077 18.456 8.702 147 1HB GLU 16 1HB GLU 16 2.229 17.459 9.567 148 2HB GLU 16 2HB GLU 16 2.914 17.630 7.941 149 1HG GLU 16 1HG GLU 16 2.587 20.093 8.085 150 2HG GLU 16 2HG GLU 16 1.904 19.899 9.704 151 H ASN 17 H ASN 17 -0.918 19.695 7.110 152 HA ASN 17 HA ASN 17 -0.579 19.231 4.381 153 1HB ASN 17 1HB ASN 17 -1.991 21.084 4.020 154 2HB ASN 17 2HB ASN 17 -2.565 20.272 5.471 155 1HD2 ASN 17 2HD2 ASN 17 -2.031 21.309 7.606 156 2HD2 ASN 17 1HD2 ASN 17 -1.824 23.046 7.646 157 H GLY 18 H GLY 18 0.623 20.099 2.758 158 1HA GLY 18 1HA GLY 18 2.179 21.404 1.685 159 2HA GLY 18 2HA GLY 18 2.360 22.419 3.122 160 H LYS 19 H LYS 19 3.175 20.696 5.069 161 HA LYS 19 HA LYS 19 5.950 20.200 4.304 162 1HB LYS 19 1HB LYS 19 5.224 21.331 6.339 163 2HB LYS 19 2HB LYS 19 4.528 19.783 6.870 164 1HG LYS 19 1HG LYS 19 7.495 20.335 6.382 165 2HG LYS 19 2HG LYS 19 6.692 20.334 7.960 166 1HD LYS 19 1HD LYS 19 5.967 17.928 7.452 167 2HD LYS 19 2HD LYS 19 7.146 17.976 6.112 168 1HE LYS 19 1HE LYS 19 8.952 18.424 7.717 169 2HE LYS 19 2HE LYS 19 7.776 18.398 9.052 170 1HZ LYS 19 1HZ LYS 19 8.352 16.167 7.233 171 2HZ LYS 19 2HZ LYS 19 8.839 16.286 8.809 172 3HZ LYS 19 3HZ LYS 19 7.236 16.152 8.442 173 H SER 20 H SER 20 5.886 18.596 3.088 174 HA SER 20 HA SER 20 4.633 16.292 2.719 175 1HB SER 20 1HB SER 20 6.688 15.158 1.898 176 2HB SER 20 2HB SER 20 6.329 16.757 1.251 177 HG SER 20 HG SER 20 7.874 17.589 2.779 178 H ASN 21 H ASN 21 4.226 14.432 3.679 179 HA ASN 21 HA ASN 21 5.545 13.625 6.239 180 1HB ASN 21 1HB ASN 21 2.804 13.064 5.114 181 2HB ASN 21 2HB ASN 21 3.387 12.470 6.677 182 1HD2 ASN 21 2HD2 ASN 21 4.159 14.231 8.237 183 2HD2 ASN 21 1HD2 ASN 21 3.183 15.678 8.290 184 H PHE 22 H PHE 22 4.428 10.916 6.103 185 HA PHE 22 HA PHE 22 5.562 9.686 3.670 186 1HB PHE 22 1HB PHE 22 6.692 9.502 6.421 187 2HB PHE 22 2HB PHE 22 6.520 7.983 5.544 188 HD1 PHE 22 HD1 PHE 22 7.839 7.405 3.632 189 HD2 PHE 22 HD2 PHE 22 8.199 11.296 5.455 190 HE1 PHE 22 HE1 PHE 22 9.966 7.786 2.411 191 HE2 PHE 22 HE2 PHE 22 10.292 11.696 4.186 192 HZ PHE 22 HZ PHE 22 11.131 9.977 2.608 193 H LEU 23 H LEU 23 4.060 8.433 2.929 194 HA LEU 23 HA LEU 23 2.089 7.125 4.727 195 1HB LEU 23 1HB LEU 23 1.171 8.586 3.016 196 2HB LEU 23 2HB LEU 23 2.047 7.719 1.755 197 HG LEU 23 HG LEU 23 0.633 5.740 2.195 198 1HD1 LEU 23 1HD1 LEU 23 0.230 5.951 4.602 199 2HD1 LEU 23 2HD1 LEU 23 -0.578 7.515 4.369 200 3HD1 LEU 23 3HD1 LEU 23 -1.316 6.011 3.761 201 1HD2 LEU 23 1HD2 LEU 23 -1.004 8.320 2.039 202 2HD2 LEU 23 2HD2 LEU 23 -0.143 7.602 0.667 203 3HD2 LEU 23 3HD2 LEU 23 -1.494 6.728 1.421 204 H ASN 24 H ASN 24 2.319 5.001 5.074 205 HA ASN 24 HA ASN 24 4.193 3.416 3.353 206 1HB ASN 24 1HB ASN 24 3.838 3.533 6.354 207 2HB ASN 24 2HB ASN 24 4.739 2.287 5.484 208 1HD2 ASN 24 2HD2 ASN 24 6.858 2.665 6.017 209 2HD2 ASN 24 1HD2 ASN 24 7.670 4.206 5.843 210 H CYS 25 H CYS 25 2.580 2.445 2.122 211 HA CYS 25 HA CYS 25 0.414 0.965 3.482 212 1HB CYS 25 1HB CYS 25 1.081 1.210 0.547 213 2HB CYS 25 2HB CYS 25 -0.237 0.261 1.227 214 H TYR 26 H TYR 26 1.492 -0.581 4.714 215 HA TYR 26 HA TYR 26 3.355 -2.401 3.354 216 1HB TYR 26 1HB TYR 26 3.805 -1.610 5.677 217 2HB TYR 26 2HB TYR 26 2.297 -2.291 6.194 218 HD1 TYR 26 HD1 TYR 26 3.314 -3.691 7.898 219 HD2 TYR 26 HD2 TYR 26 4.629 -4.067 3.811 220 HE1 TYR 26 HE1 TYR 26 4.227 -5.935 8.392 221 HE2 TYR 26 HE2 TYR 26 5.505 -6.289 4.293 222 HH TYR 26 HH TYR 26 5.382 -7.765 7.556 223 H VAL 27 H VAL 27 2.690 -4.403 2.585 224 HA VAL 27 HA VAL 27 0.044 -5.449 3.425 225 HB VAL 27 HB VAL 27 1.004 -5.668 0.548 226 1HG1 VAL 27 1HG1 VAL 27 -1.790 -5.761 1.735 227 2HG1 VAL 27 2HG1 VAL 27 -1.291 -6.224 0.094 228 3HG1 VAL 27 3HG1 VAL 27 -0.798 -7.201 1.489 229 1HG2 VAL 27 1HG2 VAL 27 0.787 -3.260 0.923 230 2HG2 VAL 27 2HG2 VAL 27 -0.553 -3.879 -0.051 231 3HG2 VAL 27 3HG2 VAL 27 -0.804 -3.522 1.680 232 H SER 28 H SER 28 0.122 -7.731 3.691 233 HA SER 28 HA SER 28 2.447 -9.171 2.755 234 1HB SER 28 1HB SER 28 3.252 -9.755 5.062 235 2HB SER 28 2HB SER 28 3.389 -8.034 4.800 236 HG SER 28 HG SER 28 1.238 -9.380 6.100 237 H GLY 29 H GLY 29 2.588 -11.414 3.561 238 1HA GLY 29 1HA GLY 29 1.623 -13.414 4.257 239 2HA GLY 29 2HA GLY 29 0.033 -12.654 4.375 240 H PHE 30 H PHE 30 0.125 -11.438 1.719 241 HA PHE 30 HA PHE 30 -1.281 -13.482 0.411 242 1HB PHE 30 1HB PHE 30 -1.505 -11.937 -1.448 243 2HB PHE 30 2HB PHE 30 -1.795 -11.158 0.058 244 HD1 PHE 30 HD1 PHE 30 -0.289 -9.293 0.857 245 HD2 PHE 30 HD2 PHE 30 0.571 -11.513 -2.742 246 HE1 PHE 30 HE1 PHE 30 1.786 -7.994 0.505 247 HE2 PHE 30 HE2 PHE 30 2.641 -10.236 -3.052 248 HZ PHE 30 HZ PHE 30 3.311 -8.591 -1.344 249 H HIS 31 H HIS 31 -0.800 -14.934 -1.195 250 HA HIS 31 HA HIS 31 1.868 -14.910 -2.522 251 1HB HIS 31 1HB HIS 31 2.410 -16.363 -0.800 252 2HB HIS 31 2HB HIS 31 0.769 -16.985 -0.670 253 HD2 HIS 31 HD2 HIS 31 0.286 -18.376 -3.590 254 HE1 HIS 31 HE1 HIS 31 3.850 -20.438 -2.677 255 HE2 HIS 31 HE2 HIS 31 1.759 -20.441 -4.135 256 HA PRO 32 HA PRO 32 2.504 -16.203 -4.411 257 1HB PRO 32 1HB PRO 32 2.597 -15.961 -7.114 258 2HB PRO 32 2HB PRO 32 1.847 -17.364 -6.321 259 1HG PRO 32 1HG PRO 32 0.460 -14.830 -7.222 260 2HG PRO 32 2HG PRO 32 0.081 -16.492 -7.779 261 1HD PRO 32 1HD PRO 32 -1.281 -15.373 -5.706 262 2HD PRO 32 2HD PRO 32 -0.788 -17.085 -5.623 263 H SER 33 H SER 33 3.719 -14.538 -6.427 264 HA SER 33 HA SER 33 4.062 -12.287 -4.679 265 1HB SER 33 1HB SER 33 6.066 -11.940 -6.029 266 2HB SER 33 2HB SER 33 5.875 -13.673 -5.681 267 HG SER 33 HG SER 33 6.364 -13.221 -7.896 268 H ASP 34 H ASP 34 2.238 -12.665 -7.616 269 HA ASP 34 HA ASP 34 2.839 -10.071 -8.710 270 1HB ASP 34 1HB ASP 34 2.374 -11.962 -10.137 271 2HB ASP 34 2HB ASP 34 0.780 -12.193 -9.406 272 H ILE 35 H ILE 35 2.272 -8.510 -7.160 273 HA ILE 35 HA ILE 35 -0.645 -7.941 -7.002 274 HB ILE 35 HB ILE 35 0.176 -8.792 -4.938 275 1HG1 ILE 35 1HG1 ILE 35 -0.226 -5.831 -4.454 276 2HG1 ILE 35 2HG1 ILE 35 -1.542 -6.884 -4.957 277 1HG2 ILE 35 1HG2 ILE 35 2.097 -6.493 -4.869 278 2HG2 ILE 35 2HG2 ILE 35 1.793 -7.667 -3.569 279 3HG2 ILE 35 3HG2 ILE 35 2.496 -8.232 -5.079 280 1HD1 ILE 35 1HD1 ILE 35 -0.927 -8.406 -2.990 281 2HD1 ILE 35 2HD1 ILE 35 0.089 -7.086 -2.403 282 3HD1 ILE 35 3HD1 ILE 35 -1.647 -6.828 -2.596 283 H GLU 36 H GLU 36 -1.276 -5.791 -6.878 284 HA GLU 36 HA GLU 36 0.617 -3.739 -7.927 285 1HB GLU 36 1HB GLU 36 -2.373 -3.671 -8.260 286 2HB GLU 36 2HB GLU 36 -1.116 -2.793 -9.130 287 1HG GLU 36 1HG GLU 36 -0.333 -5.045 -10.017 288 2HG GLU 36 2HG GLU 36 -1.780 -5.751 -9.320 289 H VAL 37 H VAL 37 0.919 -2.000 -6.573 290 HA VAL 37 HA VAL 37 -1.300 -1.034 -4.919 291 HB VAL 37 HB VAL 37 1.452 -1.573 -3.754 292 1HG1 VAL 37 1HG1 VAL 37 -1.041 -0.621 -2.291 293 2HG1 VAL 37 2HG1 VAL 37 0.543 -0.956 -1.590 294 3HG1 VAL 37 3HG1 VAL 37 0.344 0.416 -2.680 295 1HG2 VAL 37 1HG2 VAL 37 -1.228 -2.968 -3.338 296 2HG2 VAL 37 2HG2 VAL 37 0.282 -3.679 -3.950 297 3HG2 VAL 37 3HG2 VAL 37 0.151 -3.177 -2.260 298 H ASP 38 H ASP 38 -1.199 0.240 -6.931 299 HA ASP 38 HA ASP 38 0.788 2.366 -7.048 300 1HB ASP 38 1HB ASP 38 -1.964 2.223 -8.362 301 2HB ASP 38 2HB ASP 38 -0.629 3.302 -8.760 302 H LEU 39 H LEU 39 0.694 4.269 -5.929 303 HA LEU 39 HA LEU 39 -1.478 4.657 -3.987 304 1HB LEU 39 1HB LEU 39 1.216 5.941 -4.469 305 2HB LEU 39 2HB LEU 39 -0.016 6.743 -3.487 306 HG LEU 39 HG LEU 39 0.081 3.971 -2.681 307 1HD1 LEU 39 1HD1 LEU 39 2.291 3.802 -3.552 308 2HD1 LEU 39 2HD1 LEU 39 2.802 5.261 -2.659 309 3HD1 LEU 39 3HD1 LEU 39 2.324 3.789 -1.783 310 1HD2 LEU 39 1HD2 LEU 39 0.883 6.579 -1.329 311 2HD2 LEU 39 2HD2 LEU 39 -0.707 5.807 -1.274 312 3HD2 LEU 39 3HD2 LEU 39 0.688 5.037 -0.484 313 H LEU 40 H LEU 40 -3.031 6.093 -4.062 314 HA LEU 40 HA LEU 40 -3.526 7.456 -6.656 315 1HB LEU 40 1HB LEU 40 -4.200 4.924 -6.321 316 2HB LEU 40 2HB LEU 40 -5.468 5.577 -5.304 317 HG LEU 40 HG LEU 40 -6.354 5.177 -7.464 318 1HD1 LEU 40 1HD1 LEU 40 -5.891 8.185 -7.360 319 2HD1 LEU 40 2HD1 LEU 40 -7.197 7.323 -8.182 320 3HD1 LEU 40 3HD1 LEU 40 -7.104 7.304 -6.411 321 1HD2 LEU 40 1HD2 LEU 40 -4.252 5.039 -8.694 322 2HD2 LEU 40 2HD2 LEU 40 -5.411 6.093 -9.536 323 3HD2 LEU 40 3HD2 LEU 40 -4.055 6.787 -8.643 324 H LYS 41 H LYS 41 -4.081 9.605 -6.053 325 HA LYS 41 HA LYS 41 -5.072 9.997 -3.329 326 1HB LYS 41 1HB LYS 41 -4.400 12.166 -5.298 327 2HB LYS 41 2HB LYS 41 -4.548 12.234 -3.539 328 1HG LYS 41 1HG LYS 41 -2.415 11.929 -3.389 329 2HG LYS 41 2HG LYS 41 -2.548 10.287 -3.992 330 1HD LYS 41 1HD LYS 41 -2.270 12.850 -5.656 331 2HD LYS 41 2HD LYS 41 -0.958 11.740 -5.285 332 1HE LYS 41 1HE LYS 41 -3.336 11.107 -6.988 333 2HE LYS 41 2HE LYS 41 -1.700 11.449 -7.563 334 1HZ LYS 41 1HZ LYS 41 -2.237 9.226 -5.735 335 2HZ LYS 41 2HZ LYS 41 -2.306 9.082 -7.370 336 3HZ LYS 41 3HZ LYS 41 -0.895 9.499 -6.638 337 H ASN 42 H ASN 42 -6.227 12.494 -5.031 338 HA ASN 42 HA ASN 42 -9.011 11.881 -4.736 339 1HB ASN 42 1HB ASN 42 -9.349 14.010 -5.866 340 2HB ASN 42 2HB ASN 42 -8.015 14.208 -4.726 341 1HD2 ASN 42 2HD2 ASN 42 -5.851 14.579 -5.575 342 2HD2 ASN 42 1HD2 ASN 42 -5.583 14.908 -7.277 343 H GLY 43 H GLY 43 -6.702 11.327 -7.341 344 1HA GLY 43 1HA GLY 43 -8.446 9.574 -8.762 345 2HA GLY 43 2HA GLY 43 -8.482 11.180 -9.516 346 H GLU 44 H GLU 44 -5.680 11.837 -8.831 347 HA GLU 44 HA GLU 44 -4.409 10.809 -11.179 348 1HB GLU 44 1HB GLU 44 -3.506 12.496 -8.804 349 2HB GLU 44 2HB GLU 44 -2.556 12.258 -10.270 350 1HG GLU 44 1HG GLU 44 -4.116 13.463 -11.608 351 2HG GLU 44 2HG GLU 44 -5.377 13.412 -10.372 352 H ARG 45 H ARG 45 -2.061 9.959 -10.955 353 HA ARG 45 HA ARG 45 -1.915 7.801 -8.876 354 1HB ARG 45 1HB ARG 45 -2.477 6.914 -11.026 355 2HB ARG 45 2HB ARG 45 -1.162 7.809 -11.812 356 1HG ARG 45 1HG ARG 45 0.522 6.505 -10.680 357 2HG ARG 45 2HG ARG 45 -0.683 5.746 -9.617 358 1HD ARG 45 1HD ARG 45 -1.697 4.579 -11.474 359 2HD ARG 45 2HD ARG 45 -0.719 5.453 -12.656 360 HE ARG 45 HE ARG 45 0.090 3.208 -10.919 361 1HH1 ARG 45 1HH2 ARG 45 1.246 5.755 -13.114 362 2HH1 ARG 45 2HH2 ARG 45 2.839 5.070 -13.262 363 1HH2 ARG 45 1HH1 ARG 45 2.102 2.320 -11.124 364 2HH2 ARG 45 2HH1 ARG 45 3.339 3.059 -12.131 365 H ILE 46 H ILE 46 -0.023 7.703 -7.667 366 HA ILE 46 HA ILE 46 2.173 9.589 -8.113 367 HB ILE 46 HB ILE 46 1.224 7.679 -5.987 368 1HG1 ILE 46 1HG1 ILE 46 2.199 10.467 -5.441 369 2HG1 ILE 46 2HG1 ILE 46 0.725 10.362 -6.375 370 1HG2 ILE 46 1HG2 ILE 46 3.928 8.999 -6.247 371 2HG2 ILE 46 2HG2 ILE 46 3.266 8.323 -4.728 372 3HG2 ILE 46 3HG2 ILE 46 3.580 7.254 -6.104 373 1HD1 ILE 46 1HD1 ILE 46 -0.280 8.881 -4.563 374 2HD1 ILE 46 2HD1 ILE 46 1.208 9.109 -3.622 375 3HD1 ILE 46 3HD1 ILE 46 0.183 10.490 -4.025 376 H GLU 47 H GLU 47 3.872 8.967 -9.276 377 HA GLU 47 HA GLU 47 4.356 6.102 -9.862 378 1HB GLU 47 1HB GLU 47 5.697 8.543 -11.047 379 2HB GLU 47 2HB GLU 47 5.948 6.838 -11.475 380 1HG GLU 47 1HG GLU 47 3.267 6.879 -11.705 381 2HG GLU 47 2HG GLU 47 3.555 8.590 -11.970 382 H LYS 48 H LYS 48 5.628 8.719 -7.825 383 HA LYS 48 HA LYS 48 8.126 7.288 -7.303 384 1HB LYS 48 1HB LYS 48 7.961 9.779 -7.306 385 2HB LYS 48 2HB LYS 48 6.989 9.688 -5.827 386 1HG LYS 48 1HG LYS 48 8.888 8.499 -4.695 387 2HG LYS 48 2HG LYS 48 9.814 8.574 -6.202 388 1HD LYS 48 1HD LYS 48 9.662 11.087 -6.098 389 2HD LYS 48 2HD LYS 48 8.909 10.940 -4.501 390 1HE LYS 48 1HE LYS 48 11.667 9.873 -5.297 391 2HE LYS 48 2HE LYS 48 11.370 11.372 -4.401 392 1HZ LYS 48 1HZ LYS 48 10.478 10.151 -2.625 393 2HZ LYS 48 2HZ LYS 48 10.629 8.703 -3.420 394 3HZ LYS 48 3HZ LYS 48 11.964 9.558 -2.977 395 H VAL 49 H VAL 49 6.674 5.337 -6.903 396 HA VAL 49 HA VAL 49 6.049 5.074 -3.992 397 HB VAL 49 HB VAL 49 5.565 3.106 -6.271 398 1HG1 VAL 49 1HG1 VAL 49 4.669 3.139 -3.351 399 2HG1 VAL 49 2HG1 VAL 49 4.162 1.961 -4.579 400 3HG1 VAL 49 3HG1 VAL 49 5.852 2.029 -4.065 401 1HG2 VAL 49 1HG2 VAL 49 3.710 5.097 -4.923 402 2HG2 VAL 49 2HG2 VAL 49 4.120 4.986 -6.646 403 3HG2 VAL 49 3HG2 VAL 49 3.149 3.716 -5.897 404 H GLU 50 H GLU 50 7.964 4.731 -2.940 405 HA GLU 50 HA GLU 50 10.164 3.211 -4.235 406 1HB GLU 50 1HB GLU 50 10.446 5.468 -2.968 407 2HB GLU 50 2HB GLU 50 10.207 4.495 -1.508 408 1HG GLU 50 1HG GLU 50 12.114 3.060 -2.159 409 2HG GLU 50 2HG GLU 50 12.370 4.091 -3.582 410 H HIS 51 H HIS 51 10.904 1.245 -3.096 411 HA HIS 51 HA HIS 51 8.906 0.139 -1.195 412 1HB HIS 51 1HB HIS 51 8.932 -1.987 -2.484 413 2HB HIS 51 2HB HIS 51 8.214 -0.637 -3.354 414 HD2 HIS 51 HD2 HIS 51 11.987 -1.987 -3.302 415 HE1 HIS 51 HE1 HIS 51 10.756 -1.239 -7.271 416 HE2 HIS 51 HE2 HIS 51 12.690 -2.048 -5.807 417 H SER 52 H SER 52 9.539 -1.726 -0.081 418 HA SER 52 HA SER 52 12.398 -1.782 0.654 419 1HB SER 52 1HB SER 52 11.691 -3.301 2.412 420 2HB SER 52 2HB SER 52 10.678 -1.846 2.406 421 HG SER 52 HG SER 52 9.517 -3.858 2.580 422 H ASP 53 H ASP 53 10.535 -3.174 -1.767 423 HA ASP 53 HA ASP 53 10.774 -4.791 -3.224 424 1HB ASP 53 1HB ASP 53 13.228 -4.213 -3.136 425 2HB ASP 53 2HB ASP 53 13.456 -5.519 -1.966 426 H LEU 54 H LEU 54 10.967 -7.321 -3.402 427 HA LEU 54 HA LEU 54 9.103 -8.261 -1.476 428 1HB LEU 54 1HB LEU 54 9.343 -8.954 -3.942 429 2HB LEU 54 2HB LEU 54 10.600 -10.059 -3.388 430 HG LEU 54 HG LEU 54 8.590 -11.302 -3.544 431 1HD1 LEU 54 1HD1 LEU 54 9.917 -11.641 -1.418 432 2HD1 LEU 54 2HD1 LEU 54 8.581 -10.788 -0.591 433 3HD1 LEU 54 3HD1 LEU 54 8.265 -12.260 -1.479 434 1HD2 LEU 54 1HD2 LEU 54 7.201 -8.966 -2.228 435 2HD2 LEU 54 2HD2 LEU 54 6.808 -9.836 -3.714 436 3HD2 LEU 54 3HD2 LEU 54 6.517 -10.575 -2.127 437 H SER 55 H SER 55 9.437 -8.978 0.469 438 HA SER 55 HA SER 55 11.831 -10.612 1.138 439 1HB SER 55 1HB SER 55 12.171 -8.349 2.091 440 2HB SER 55 2HB SER 55 10.591 -8.440 2.889 441 HG SER 55 HG SER 55 12.802 -10.181 3.297 442 H PHE 56 H PHE 56 10.764 -12.563 1.102 443 HA PHE 56 HA PHE 56 8.076 -12.797 2.297 444 1HB PHE 56 1HB PHE 56 8.033 -14.967 1.270 445 2HB PHE 56 2HB PHE 56 8.493 -13.736 0.132 446 HD1 PHE 56 HD1 PHE 56 10.824 -13.624 -0.748 447 HD2 PHE 56 HD2 PHE 56 9.333 -16.880 1.636 448 HE1 PHE 56 HE1 PHE 56 12.687 -15.053 -1.546 449 HE2 PHE 56 HE2 PHE 56 11.167 -18.332 0.797 450 HZ PHE 56 HZ PHE 56 12.873 -17.406 -0.761 451 H SER 57 H SER 57 10.390 -12.189 4.021 452 HA SER 57 HA SER 57 11.557 -12.850 5.821 453 1HB SER 57 1HB SER 57 10.048 -13.371 7.708 454 2HB SER 57 2HB SER 57 9.486 -12.057 6.679 455 HG SER 57 HG SER 57 8.522 -14.687 6.890 456 H LYS 58 H LYS 58 12.462 -14.871 4.295 457 HA LYS 58 HA LYS 58 11.415 -16.938 3.301 458 1HB LYS 58 1HB LYS 58 13.719 -17.369 5.273 459 2HB LYS 58 2HB LYS 58 13.313 -18.430 3.911 460 1HG LYS 58 1HG LYS 58 13.773 -16.576 2.317 461 2HG LYS 58 2HG LYS 58 14.216 -15.531 3.674 462 1HD LYS 58 1HD LYS 58 16.235 -16.301 2.757 463 2HD LYS 58 2HD LYS 58 16.029 -17.130 4.308 464 1HE LYS 58 1HE LYS 58 15.325 -19.187 3.138 465 2HE LYS 58 2HE LYS 58 15.337 -18.333 1.582 466 1HZ LYS 58 1HZ LYS 58 17.674 -18.835 3.284 467 2HZ LYS 58 2HZ LYS 58 17.299 -19.618 1.883 468 3HZ LYS 58 3HZ LYS 58 17.689 -18.019 1.852 469 H ASP 59 H ASP 59 9.412 -16.501 5.010 470 HA ASP 59 HA ASP 59 8.871 -19.171 6.167 471 1HB ASP 59 1HB ASP 59 7.370 -16.542 6.202 472 2HB ASP 59 2HB ASP 59 6.862 -18.006 7.055 473 H TRP 60 H TRP 60 6.137 -19.256 5.795 474 HA TRP 60 HA TRP 60 5.511 -19.019 2.887 475 1HB TRP 60 1HB TRP 60 4.051 -20.416 5.147 476 2HB TRP 60 2HB TRP 60 3.464 -20.246 3.493 477 HD1 TRP 60 HD1 TRP 60 6.046 -22.140 5.518 478 HE1 TRP 60 HE1 TRP 60 6.877 -24.179 4.145 479 HE3 TRP 60 HE3 TRP 60 3.895 -21.041 1.007 480 HZ2 TRP 60 HZ2 TRP 60 6.628 -25.174 1.479 481 HZ3 TRP 60 HZ3 TRP 60 4.182 -22.566 -0.920 482 HH2 TRP 60 HH2 TRP 60 5.567 -24.616 -0.706 483 H SER 61 H SER 61 6.020 -16.756 4.615 484 HA SER 61 HA SER 61 3.458 -15.321 4.137 485 1HB SER 61 1HB SER 61 4.267 -15.165 6.547 486 2HB SER 61 2HB SER 61 5.758 -14.417 5.935 487 HG SER 61 HG SER 61 3.091 -13.483 5.703 488 H PHE 62 H PHE 62 3.943 -13.199 2.963 489 HA PHE 62 HA PHE 62 6.359 -13.222 1.292 490 1HB PHE 62 1HB PHE 62 4.827 -15.181 0.670 491 2HB PHE 62 2HB PHE 62 3.726 -13.981 0.070 492 HD1 PHE 62 HD1 PHE 62 4.726 -12.295 -1.801 493 HD2 PHE 62 HD2 PHE 62 6.649 -15.969 -0.542 494 HE1 PHE 62 HE1 PHE 62 6.189 -12.230 -3.732 495 HE2 PHE 62 HE2 PHE 62 8.098 -15.891 -2.495 496 HZ PHE 62 HZ PHE 62 7.896 -14.013 -4.128 497 H TYR 63 H TYR 63 6.698 -10.979 1.126 498 HA TYR 63 HA TYR 63 4.337 -9.204 0.768 499 1HB TYR 63 1HB TYR 63 4.797 -8.060 2.917 500 2HB TYR 63 2HB TYR 63 4.362 -9.762 3.104 501 HD1 TYR 63 HD1 TYR 63 5.567 -11.243 4.387 502 HD2 TYR 63 HD2 TYR 63 7.244 -7.468 3.161 503 HE1 TYR 63 HE1 TYR 63 7.273 -11.429 6.146 504 HE2 TYR 63 HE2 TYR 63 8.964 -7.643 4.896 505 HH TYR 63 HH TYR 63 9.742 -8.847 6.698 506 H LEU 64 H LEU 64 5.041 -6.878 1.194 507 HA LEU 64 HA LEU 64 7.741 -6.105 0.889 508 1HB LEU 64 1HB LEU 64 7.722 -5.059 -1.285 509 2HB LEU 64 2HB LEU 64 7.467 -6.786 -1.460 510 HG LEU 64 HG LEU 64 5.423 -4.579 -1.785 511 1HD1 LEU 64 1HD1 LEU 64 6.363 -6.708 -3.761 512 2HD1 LEU 64 2HD1 LEU 64 5.209 -5.417 -4.088 513 3HD1 LEU 64 3HD1 LEU 64 6.902 -5.009 -3.774 514 1HD2 LEU 64 1HD2 LEU 64 5.129 -7.590 -1.755 515 2HD2 LEU 64 2HD2 LEU 64 4.116 -6.399 -0.870 516 3HD2 LEU 64 3HD2 LEU 64 3.965 -6.594 -2.620 517 H LEU 65 H LEU 65 7.909 -3.805 1.208 518 HA LEU 65 HA LEU 65 5.427 -2.530 2.217 519 1HB LEU 65 1HB LEU 65 7.684 -3.057 3.556 520 2HB LEU 65 2HB LEU 65 8.235 -1.578 2.755 521 HG LEU 65 HG LEU 65 5.848 -1.946 4.617 522 1HD1 LEU 65 1HD1 LEU 65 8.440 -0.381 4.864 523 2HD1 LEU 65 2HD1 LEU 65 7.151 -0.465 6.083 524 3HD1 LEU 65 3HD1 LEU 65 8.075 -1.925 5.659 525 1HD2 LEU 65 1HD2 LEU 65 6.649 0.366 2.857 526 2HD2 LEU 65 2HD2 LEU 65 5.031 -0.276 3.192 527 3HD2 LEU 65 3HD2 LEU 65 5.873 0.673 4.422 528 H TYR 66 H TYR 66 4.768 -0.613 1.212 529 HA TYR 66 HA TYR 66 6.382 0.320 -1.101 530 1HB TYR 66 1HB TYR 66 3.348 0.086 -1.143 531 2HB TYR 66 2HB TYR 66 4.460 0.220 -2.485 532 HD1 TYR 66 HD1 TYR 66 3.750 -2.253 0.383 533 HD2 TYR 66 HD2 TYR 66 4.414 -1.715 -3.855 534 HE1 TYR 66 HE1 TYR 66 2.651 -4.352 -0.045 535 HE2 TYR 66 HE2 TYR 66 3.208 -3.839 -4.265 536 HH TYR 66 HH TYR 66 1.551 -5.615 -1.630 537 H TYR 67 H TYR 67 7.047 2.210 -0.073 538 HA TYR 67 HA TYR 67 4.956 3.953 1.088 539 1HB TYR 67 1HB TYR 67 7.072 5.094 2.066 540 2HB TYR 67 2HB TYR 67 6.279 3.705 2.755 541 HD1 TYR 67 HD1 TYR 67 8.824 4.207 0.070 542 HD2 TYR 67 HD2 TYR 67 7.733 2.136 3.649 543 HE1 TYR 67 HE1 TYR 67 10.871 2.804 -0.136 544 HE2 TYR 67 HE2 TYR 67 9.746 0.697 3.434 545 HH TYR 67 HH TYR 67 12.033 0.991 0.705 546 H THR 68 H THR 68 4.822 6.044 0.653 547 HA THR 68 HA THR 68 6.604 7.328 -1.399 548 HB THR 68 HB THR 68 4.467 6.735 -2.286 549 HG1 THR 68 HG1 THR 68 5.607 8.385 -3.173 550 1HG2 THR 68 1HG2 THR 68 2.498 8.095 -1.743 551 2HG2 THR 68 2HG2 THR 68 2.994 7.132 -0.331 552 3HG2 THR 68 3HG2 THR 68 3.342 8.876 -0.404 553 H GLU 69 H GLU 69 5.901 9.912 -1.176 554 HA GLU 69 HA GLU 69 6.332 10.721 1.673 555 1HB GLU 69 1HB GLU 69 7.274 12.074 -0.841 556 2HB GLU 69 2HB GLU 69 7.598 12.576 0.833 557 1HG GLU 69 1HG GLU 69 8.744 10.401 1.205 558 2HG GLU 69 2HG GLU 69 8.515 9.976 -0.497 559 H PHE 70 H PHE 70 3.860 10.641 1.771 560 HA PHE 70 HA PHE 70 2.407 12.163 -0.160 561 1HB PHE 70 1HB PHE 70 0.465 11.465 0.846 562 2HB PHE 70 2HB PHE 70 1.557 10.129 1.170 563 HD1 PHE 70 HD1 PHE 70 -0.813 12.505 2.459 564 HD2 PHE 70 HD2 PHE 70 2.710 10.335 3.517 565 HE1 PHE 70 HE1 PHE 70 -1.178 13.027 4.869 566 HE2 PHE 70 HE2 PHE 70 2.032 10.385 5.948 567 HZ PHE 70 HZ PHE 70 0.074 11.756 6.606 568 H THR 71 H THR 71 1.735 14.161 -0.150 569 HA THR 71 HA THR 71 2.125 15.920 2.226 570 HB THR 71 HB THR 71 1.978 16.753 -0.636 571 HG1 THR 71 HG1 THR 71 4.190 16.743 -0.499 572 1HG2 THR 71 1HG2 THR 71 3.033 18.065 1.915 573 2HG2 THR 71 2HG2 THR 71 3.019 18.790 0.295 574 3HG2 THR 71 3HG2 THR 71 1.495 18.487 1.151 575 HA PRO 72 HA PRO 72 -2.463 15.612 1.732 576 1HB PRO 72 1HB PRO 72 -3.252 16.012 4.280 577 2HB PRO 72 2HB PRO 72 -2.388 14.548 3.755 578 1HG PRO 72 1HG PRO 72 -1.206 17.004 5.085 579 2HG PRO 72 2HG PRO 72 -0.952 15.300 5.543 580 1HD PRO 72 1HD PRO 72 0.791 16.697 3.935 581 2HD PRO 72 2HD PRO 72 0.535 14.938 3.766 582 H THR 73 H THR 73 -2.047 17.575 0.359 583 HA THR 73 HA THR 73 -2.426 20.217 1.513 584 HB THR 73 HB THR 73 -2.700 20.867 -0.889 585 HG1 THR 73 HG1 THR 73 -3.354 18.723 -1.606 586 1HG2 THR 73 1HG2 THR 73 -0.195 19.266 -0.217 587 2HG2 THR 73 2HG2 THR 73 -0.322 20.564 -1.417 588 3HG2 THR 73 3HG2 THR 73 -0.506 20.938 0.308 589 H GLU 74 H GLU 74 -4.243 20.164 2.685 590 HA GLU 74 HA GLU 74 -6.392 20.365 3.255 591 1HB GLU 74 1HB GLU 74 -6.764 21.173 0.342 592 2HB GLU 74 2HB GLU 74 -7.958 21.373 1.638 593 1HG GLU 74 1HG GLU 74 -6.340 22.777 2.898 594 2HG GLU 74 2HG GLU 74 -5.177 22.619 1.570 595 H LYS 75 H LYS 75 -7.553 19.289 0.086 596 HA LYS 75 HA LYS 75 -8.847 16.987 1.480 597 1HB LYS 75 1HB LYS 75 -9.652 18.401 -1.079 598 2HB LYS 75 2HB LYS 75 -10.592 17.209 -0.171 599 1HG LYS 75 1HG LYS 75 -9.875 20.026 0.755 600 2HG LYS 75 2HG LYS 75 -11.437 19.453 0.168 601 1HD LYS 75 1HD LYS 75 -11.576 17.868 2.105 602 2HD LYS 75 2HD LYS 75 -10.023 18.479 2.698 603 1HE LYS 75 1HE LYS 75 -11.780 19.560 3.933 604 2HE LYS 75 2HE LYS 75 -10.970 20.757 2.909 605 1HZ LYS 75 1HZ LYS 75 -13.521 19.423 2.304 606 2HZ LYS 75 2HZ LYS 75 -13.347 20.966 2.858 607 3HZ LYS 75 3HZ LYS 75 -12.785 20.562 1.364 608 H ASP 76 H ASP 76 -6.089 16.814 0.445 609 HA ASP 76 HA ASP 76 -6.258 15.045 -1.887 610 1HB ASP 76 1HB ASP 76 -4.075 16.037 -0.062 611 2HB ASP 76 2HB ASP 76 -3.860 14.529 -0.957 612 H GLU 77 H GLU 77 -7.608 13.390 -1.448 613 HA GLU 77 HA GLU 77 -7.426 11.799 1.009 614 1HB GLU 77 1HB GLU 77 -9.574 12.388 -0.078 615 2HB GLU 77 2HB GLU 77 -9.103 11.471 -1.516 616 1HG GLU 77 1HG GLU 77 -8.959 9.401 -0.067 617 2HG GLU 77 2HG GLU 77 -9.512 10.368 1.305 618 H TYR 78 H TYR 78 -5.132 11.189 0.694 619 HA TYR 78 HA TYR 78 -4.260 9.615 -1.523 620 1HB TYR 78 1HB TYR 78 -3.199 10.130 1.219 621 2HB TYR 78 2HB TYR 78 -2.564 8.786 0.270 622 HD1 TYR 78 HD1 TYR 78 -0.752 9.186 -1.204 623 HD2 TYR 78 HD2 TYR 78 -3.291 12.445 0.015 624 HE1 TYR 78 HE1 TYR 78 0.928 10.810 -1.988 625 HE2 TYR 78 HE2 TYR 78 -1.714 14.060 -1.028 626 HH TYR 78 HH TYR 78 0.346 14.350 -1.984 627 H ALA 79 H ALA 79 -4.439 7.522 -1.973 628 HA ALA 79 HA ALA 79 -5.403 5.572 0.032 629 1HB ALA 79 1HB ALA 79 -7.312 6.453 -1.443 630 2HB ALA 79 2HB ALA 79 -6.467 5.734 -2.826 631 3HB ALA 79 3HB ALA 79 -7.030 4.699 -1.512 632 H CYS 80 H CYS 80 -5.190 3.340 -0.896 633 HA CYS 80 HA CYS 80 -2.842 3.019 -2.721 634 1HB CYS 80 1HB CYS 80 -3.308 1.880 0.042 635 2HB CYS 80 2HB CYS 80 -2.391 0.965 -1.163 636 H ARG 81 H ARG 81 -3.412 1.892 -4.434 637 HA ARG 81 HA ARG 81 -5.796 0.331 -4.709 638 1HB ARG 81 1HB ARG 81 -4.408 1.204 -6.603 639 2HB ARG 81 2HB ARG 81 -3.119 0.091 -6.125 640 1HG ARG 81 1HG ARG 81 -4.789 -1.828 -6.503 641 2HG ARG 81 2HG ARG 81 -5.859 -0.625 -7.233 642 1HD ARG 81 1HD ARG 81 -3.036 -1.357 -8.123 643 2HD ARG 81 2HD ARG 81 -4.545 -1.889 -8.889 644 HE ARG 81 HE ARG 81 -4.349 0.992 -8.722 645 1HH1 ARG 81 1HH2 ARG 81 -3.278 -1.823 -10.667 646 2HH1 ARG 81 2HH2 ARG 81 -2.875 -0.836 -12.041 647 1HH2 ARG 81 1HH1 ARG 81 -3.815 2.227 -10.553 648 2HH2 ARG 81 2HH1 ARG 81 -3.198 1.457 -11.993 649 H VAL 82 H VAL 82 -6.080 -1.989 -4.210 650 HA VAL 82 HA VAL 82 -3.598 -3.494 -3.663 651 HB VAL 82 HB VAL 82 -6.112 -3.815 -1.974 652 1HG1 VAL 82 1HG1 VAL 82 -3.301 -4.979 -1.863 653 2HG1 VAL 82 2HG1 VAL 82 -4.593 -5.292 -0.685 654 3HG1 VAL 82 3HG1 VAL 82 -4.768 -5.853 -2.358 655 1HG2 VAL 82 1HG2 VAL 82 -3.456 -2.510 -1.237 656 2HG2 VAL 82 2HG2 VAL 82 -5.041 -1.703 -1.306 657 3HG2 VAL 82 3HG2 VAL 82 -4.739 -2.952 -0.098 658 H ASN 83 H ASN 83 -3.606 -4.397 -5.655 659 HA ASN 83 HA ASN 83 -5.889 -6.240 -6.254 660 1HB ASN 83 1HB ASN 83 -5.696 -4.302 -7.872 661 2HB ASN 83 2HB ASN 83 -4.135 -4.924 -8.351 662 1HD2 ASN 83 2HD2 ASN 83 -4.059 -7.249 -9.100 663 2HD2 ASN 83 1HD2 ASN 83 -5.434 -7.852 -10.009 664 H HIS 84 H HIS 84 -4.758 -7.833 -4.943 665 HA HIS 84 HA HIS 84 -2.129 -8.882 -5.772 666 1HB HIS 84 1HB HIS 84 -3.007 -9.151 -3.473 667 2HB HIS 84 2HB HIS 84 -4.399 -10.014 -4.127 668 HD2 HIS 84 HD2 HIS 84 -0.533 -10.689 -4.866 669 HE1 HIS 84 HE1 HIS 84 -2.459 -14.231 -3.590 670 HE2 HIS 84 HE2 HIS 84 -0.261 -13.254 -4.471 671 H VAL 85 H VAL 85 -2.045 -10.894 -7.126 672 HA VAL 85 HA VAL 85 -3.960 -11.042 -9.168 673 HB VAL 85 HB VAL 85 -1.640 -11.809 -9.352 674 1HG1 VAL 85 1HG1 VAL 85 -2.586 -14.313 -7.878 675 2HG1 VAL 85 2HG1 VAL 85 -1.045 -14.099 -8.719 676 3HG1 VAL 85 3HG1 VAL 85 -1.405 -13.125 -7.276 677 1HG2 VAL 85 1HG2 VAL 85 -3.359 -12.405 -11.033 678 2HG2 VAL 85 2HG2 VAL 85 -2.073 -13.615 -10.899 679 3HG2 VAL 85 3HG2 VAL 85 -3.657 -13.933 -10.172 680 H THR 86 H THR 86 -4.017 -12.664 -6.003 681 HA THR 86 HA THR 86 -6.168 -14.442 -6.862 682 HB THR 86 HB THR 86 -4.290 -14.662 -4.908 683 HG1 THR 86 HG1 THR 86 -6.738 -16.010 -5.193 684 1HG2 THR 86 1HG2 THR 86 -6.967 -14.420 -3.470 685 2HG2 THR 86 2HG2 THR 86 -5.395 -14.854 -2.780 686 3HG2 THR 86 3HG2 THR 86 -5.682 -13.195 -3.338 687 H LEU 87 H LEU 87 -5.996 -11.168 -5.544 688 HA LEU 87 HA LEU 87 -8.796 -11.058 -4.760 689 1HB LEU 87 1HB LEU 87 -6.546 -9.121 -5.202 690 2HB LEU 87 2HB LEU 87 -8.171 -8.519 -5.500 691 HG LEU 87 HG LEU 87 -8.911 -9.076 -3.290 692 1HD1 LEU 87 1HD1 LEU 87 -7.541 -11.080 -2.799 693 2HD1 LEU 87 2HD1 LEU 87 -6.080 -10.079 -2.766 694 3HD1 LEU 87 3HD1 LEU 87 -7.347 -9.842 -1.550 695 1HD2 LEU 87 1HD2 LEU 87 -7.856 -6.895 -3.719 696 2HD2 LEU 87 2HD2 LEU 87 -7.502 -7.427 -2.067 697 3HD2 LEU 87 3HD2 LEU 87 -6.259 -7.564 -3.328 698 H SER 88 H SER 88 -6.937 -10.138 -7.693 699 HA SER 88 HA SER 88 -7.543 -9.661 -9.810 700 1HB SER 88 1HB SER 88 -9.976 -11.449 -9.358 701 2HB SER 88 2HB SER 88 -9.269 -10.974 -10.908 702 HG SER 88 HG SER 88 -8.599 -13.049 -10.199 703 H GLN 89 H GLN 89 -8.636 -8.071 -7.469 704 HA GLN 89 HA GLN 89 -10.590 -6.424 -8.916 705 1HB GLN 89 1HB GLN 89 -11.082 -7.637 -6.176 706 2HB GLN 89 2HB GLN 89 -12.012 -6.304 -6.887 707 1HG GLN 89 1HG GLN 89 -12.618 -7.798 -8.807 708 2HG GLN 89 2HG GLN 89 -11.803 -9.142 -7.985 709 1HE2 GLN 89 2HE2 GLN 89 -14.280 -9.728 -8.550 710 2HE2 GLN 89 1HE2 GLN 89 -15.340 -9.582 -7.163 711 HA PRO 90 HA PRO 90 -7.528 -3.858 -6.812 712 1HB PRO 90 1HB PRO 90 -8.012 -1.456 -7.986 713 2HB PRO 90 2HB PRO 90 -7.352 -2.830 -8.907 714 1HG PRO 90 1HG PRO 90 -10.254 -1.965 -8.749 715 2HG PRO 90 2HG PRO 90 -9.285 -2.293 -10.214 716 1HD PRO 90 1HD PRO 90 -10.917 -4.173 -9.082 717 2HD PRO 90 2HD PRO 90 -9.360 -4.623 -9.847 718 H LYS 91 H LYS 91 -8.409 -4.197 -4.755 719 HA LYS 91 HA LYS 91 -10.622 -2.649 -3.687 720 1HB LYS 91 1HB LYS 91 -9.991 -4.865 -2.836 721 2HB LYS 91 2HB LYS 91 -8.395 -4.263 -2.379 722 1HG LYS 91 1HG LYS 91 -9.524 -2.648 -0.791 723 2HG LYS 91 2HG LYS 91 -11.077 -3.397 -1.213 724 1HD LYS 91 1HD LYS 91 -10.208 -5.594 -0.418 725 2HD LYS 91 2HD LYS 91 -8.653 -4.829 -0.026 726 1HE LYS 91 1HE LYS 91 -9.834 -3.312 1.580 727 2HE LYS 91 2HE LYS 91 -11.353 -4.160 1.233 728 1HZ LYS 91 1HZ LYS 91 -10.344 -6.161 2.065 729 2HZ LYS 91 2HZ LYS 91 -8.930 -5.370 2.375 730 3HZ LYS 91 3HZ LYS 91 -10.296 -4.972 3.205 731 H ILE 92 H ILE 92 -10.205 -0.414 -4.022 732 HA ILE 92 HA ILE 92 -7.601 0.685 -3.448 733 HB ILE 92 HB ILE 92 -10.125 2.299 -3.876 734 1HG1 ILE 92 1HG1 ILE 92 -10.151 0.790 -5.742 735 2HG1 ILE 92 2HG1 ILE 92 -9.624 2.385 -6.255 736 1HG2 ILE 92 1HG2 ILE 92 -8.188 3.530 -3.128 737 2HG2 ILE 92 2HG2 ILE 92 -7.140 2.759 -4.325 738 3HG2 ILE 92 3HG2 ILE 92 -8.421 3.871 -4.852 739 1HD1 ILE 92 1HD1 ILE 92 -7.826 -0.031 -5.813 740 2HD1 ILE 92 2HD1 ILE 92 -8.290 0.710 -7.358 741 3HD1 ILE 92 3HD1 ILE 92 -7.244 1.596 -6.247 742 H VAL 93 H VAL 93 -7.041 0.462 -1.317 743 HA VAL 93 HA VAL 93 -8.900 0.990 0.874 744 HB VAL 93 HB VAL 93 -5.914 0.385 0.782 745 1HG1 VAL 93 1HG1 VAL 93 -7.825 0.524 3.159 746 2HG1 VAL 93 2HG1 VAL 93 -6.159 -0.091 3.207 747 3HG1 VAL 93 3HG1 VAL 93 -6.453 1.615 2.863 748 1HG2 VAL 93 1HG2 VAL 93 -8.360 -1.320 1.432 749 2HG2 VAL 93 2HG2 VAL 93 -7.302 -1.499 0.014 750 3HG2 VAL 93 3HG2 VAL 93 -6.672 -1.824 1.631 751 H LYS 94 H LYS 94 -9.519 3.103 1.054 752 HA LYS 94 HA LYS 94 -7.738 5.351 0.612 753 1HB LYS 94 1HB LYS 94 -10.530 5.004 1.721 754 2HB LYS 94 2HB LYS 94 -9.629 6.485 2.049 755 1HG LYS 94 1HG LYS 94 -10.994 6.859 0.150 756 2HG LYS 94 2HG LYS 94 -9.293 6.925 -0.315 757 1HD LYS 94 1HD LYS 94 -9.507 4.545 -1.172 758 2HD LYS 94 2HD LYS 94 -11.240 4.625 -0.826 759 1HE LYS 94 1HE LYS 94 -9.643 6.370 -2.766 760 2HE LYS 94 2HE LYS 94 -10.757 5.061 -3.197 761 1HZ LYS 94 1HZ LYS 94 -11.479 7.585 -1.874 762 2HZ LYS 94 2HZ LYS 94 -11.787 7.176 -3.435 763 3HZ LYS 94 3HZ LYS 94 -12.529 6.355 -2.210 764 H TRP 95 H TRP 95 -6.314 6.214 1.943 765 HA TRP 95 HA TRP 95 -6.062 5.217 4.732 766 1HB TRP 95 1HB TRP 95 -3.987 5.151 3.539 767 2HB TRP 95 2HB TRP 95 -4.264 6.713 2.818 768 HD1 TRP 95 HD1 TRP 95 -3.489 5.259 6.315 769 HE1 TRP 95 HE1 TRP 95 -2.388 7.124 7.732 770 HE3 TRP 95 HE3 TRP 95 -3.761 9.048 2.971 771 HZ2 TRP 95 HZ2 TRP 95 -2.134 10.026 7.568 772 HZ3 TRP 95 HZ3 TRP 95 -3.189 11.400 3.650 773 HH2 TRP 95 HH2 TRP 95 -2.673 11.881 6.033 774 H ASP 96 H ASP 96 -6.771 6.483 6.366 775 HA ASP 96 HA ASP 96 -6.973 9.420 6.051 776 1HB ASP 96 1HB ASP 96 -9.241 7.687 6.984 777 2HB ASP 96 2HB ASP 96 -9.116 9.449 7.111 778 H ARG 97 H ARG 97 -5.038 9.075 7.234 779 HA ARG 97 HA ARG 97 -3.666 8.889 9.029 780 1HB ARG 97 1HB ARG 97 -5.042 10.928 9.483 781 2HB ARG 97 2HB ARG 97 -5.995 9.981 10.626 782 1HG ARG 97 1HG ARG 97 -3.144 9.555 11.166 783 2HG ARG 97 2HG ARG 97 -3.440 11.280 10.968 784 1HD ARG 97 1HD ARG 97 -3.652 10.798 13.262 785 2HD ARG 97 2HD ARG 97 -5.299 11.100 12.671 786 HE ARG 97 HE ARG 97 -4.996 8.361 12.448 787 1HH1 ARG 97 1HH2 ARG 97 -4.714 10.659 15.135 788 2HH1 ARG 97 2HH2 ARG 97 -5.110 9.475 16.354 789 1HH2 ARG 97 1HH1 ARG 97 -5.346 6.789 14.061 790 2HH2 ARG 97 2HH1 ARG 97 -5.513 7.268 15.732 791 H ASP 98 H ASP 98 -3.204 6.748 9.284 792 HA ASP 98 HA ASP 98 -4.826 4.845 10.702 793 1HB ASP 98 1HB ASP 98 -3.136 4.102 9.169 794 2HB ASP 98 2HB ASP 98 -1.876 5.026 9.996 795 H MET 99 H MET 99 -1.905 6.741 11.603 796 HA MET 99 HA MET 99 -2.798 6.922 14.415 797 1HB MET 99 1HB MET 99 -1.444 4.892 14.244 798 2HB MET 99 2HB MET 99 -0.127 5.792 13.479 799 1HG MET 99 1HG MET 99 0.137 7.155 15.538 800 2HG MET 99 2HG MET 99 -1.173 6.256 16.312 801 1HE MET 99 1HE MET 99 -1.115 3.775 16.890 802 2HE MET 99 2HE MET 99 -0.449 3.144 15.362 803 3HE MET 99 3HE MET 99 0.337 2.750 16.903 Start of MODEL 15 1 1H MET 0 1H MET 0 -4.056 -25.432 -6.283 2 2H MET 0 2H MET 0 -4.245 -25.658 -4.658 3 3H MET 0 3H MET 0 -5.436 -24.927 -5.527 4 HA MET 0 HA MET 0 -2.759 -23.882 -5.045 5 1HB MET 0 1HB MET 0 -3.584 -23.245 -7.254 6 2HB MET 0 2HB MET 0 -5.105 -22.660 -6.563 7 1HG MET 0 1HG MET 0 -3.910 -20.895 -5.341 8 2HG MET 0 2HG MET 0 -2.354 -21.552 -5.879 9 1HE MET 0 1HE MET 0 -1.559 -19.234 -6.607 10 2HE MET 0 2HE MET 0 -2.441 -18.150 -7.706 11 3HE MET 0 3HE MET 0 -3.090 -18.489 -6.084 12 H ILE 1 H ILE 1 -2.564 -22.429 -3.359 13 HA ILE 1 HA ILE 1 -4.929 -21.988 -1.593 14 HB ILE 1 HB ILE 1 -1.974 -21.733 -1.031 15 1HG1 ILE 1 1HG1 ILE 1 -2.527 -24.085 -1.256 16 2HG1 ILE 1 2HG1 ILE 1 -2.193 -23.672 0.421 17 1HG2 ILE 1 1HG2 ILE 1 -4.396 -21.395 0.783 18 2HG2 ILE 1 2HG2 ILE 1 -2.715 -21.500 1.349 19 3HG2 ILE 1 3HG2 ILE 1 -3.222 -20.155 0.323 20 1HD1 ILE 1 1HD1 ILE 1 -4.980 -24.073 -0.761 21 2HD1 ILE 1 2HD1 ILE 1 -4.081 -25.219 0.241 22 3HD1 ILE 1 3HD1 ILE 1 -4.615 -23.683 0.938 23 H GLN 2 H GLN 2 -5.899 -20.112 -1.920 24 HA GLN 2 HA GLN 2 -4.590 -17.857 -3.266 25 1HB GLN 2 1HB GLN 2 -7.412 -18.205 -2.149 26 2HB GLN 2 2HB GLN 2 -6.823 -16.847 -3.101 27 1HG GLN 2 1HG GLN 2 -7.998 -18.249 -4.621 28 2HG GLN 2 2HG GLN 2 -6.277 -18.455 -4.973 29 1HE2 GLN 2 2HE2 GLN 2 -6.461 -20.509 -5.930 30 2HE2 GLN 2 1HE2 GLN 2 -6.883 -21.932 -4.992 31 H ARG 3 H ARG 3 -2.941 -17.709 -1.484 32 HA ARG 3 HA ARG 3 -3.783 -17.181 1.191 33 1HB ARG 3 1HB ARG 3 -1.690 -18.296 0.456 34 2HB ARG 3 2HB ARG 3 -1.081 -16.714 -0.019 35 1HG ARG 3 1HG ARG 3 -1.351 -15.948 2.355 36 2HG ARG 3 2HG ARG 3 -1.961 -17.559 2.785 37 1HD ARG 3 1HD ARG 3 0.166 -18.585 2.039 38 2HD ARG 3 2HD ARG 3 0.781 -16.997 1.580 39 HE ARG 3 HE ARG 3 1.029 -16.356 3.792 40 1HH1 ARG 3 1HH2 ARG 3 -0.254 -19.681 3.648 41 2HH1 ARG 3 2HH2 ARG 3 0.336 -20.097 5.235 42 1HH2 ARG 3 1HH1 ARG 3 1.847 -16.960 5.817 43 2HH2 ARG 3 2HH1 ARG 3 1.496 -18.532 6.498 44 H THR 4 H THR 4 -4.622 -15.366 1.941 45 HA THR 4 HA THR 4 -5.096 -13.212 0.220 46 HB THR 4 HB THR 4 -5.713 -13.448 3.193 47 HG1 THR 4 HG1 THR 4 -7.600 -14.518 2.407 48 1HG2 THR 4 1HG2 THR 4 -7.278 -12.108 0.943 49 2HG2 THR 4 2HG2 THR 4 -7.762 -12.215 2.645 50 3HG2 THR 4 3HG2 THR 4 -6.348 -11.247 2.199 51 HA PRO 5 HA PRO 5 -1.828 -10.424 1.646 52 1HB PRO 5 1HB PRO 5 -2.704 -8.042 0.621 53 2HB PRO 5 2HB PRO 5 -2.043 -9.352 -0.403 54 1HG PRO 5 1HG PRO 5 -4.945 -8.728 0.179 55 2HG PRO 5 2HG PRO 5 -4.182 -9.014 -1.409 56 1HD PRO 5 1HD PRO 5 -5.494 -10.976 -0.071 57 2HD PRO 5 2HD PRO 5 -4.010 -11.350 -0.991 58 H LYS 6 H LYS 6 -1.532 -9.736 3.628 59 HA LYS 6 HA LYS 6 -3.728 -8.619 5.265 60 1HB LYS 6 1HB LYS 6 -1.070 -9.766 5.874 61 2HB LYS 6 2HB LYS 6 -2.015 -8.883 7.086 62 1HG LYS 6 1HG LYS 6 -3.887 -10.436 6.823 63 2HG LYS 6 2HG LYS 6 -3.060 -11.256 5.488 64 1HD LYS 6 1HD LYS 6 -1.251 -11.967 7.054 65 2HD LYS 6 2HD LYS 6 -2.057 -11.096 8.369 66 1HE LYS 6 1HE LYS 6 -2.572 -13.460 8.552 67 2HE LYS 6 2HE LYS 6 -4.047 -12.573 8.137 68 1HZ LYS 6 1HZ LYS 6 -2.351 -14.035 6.229 69 2HZ LYS 6 2HZ LYS 6 -3.764 -14.589 6.870 70 3HZ LYS 6 3HZ LYS 6 -3.770 -13.274 5.879 71 H ILE 7 H ILE 7 -3.914 -6.453 4.981 72 HA ILE 7 HA ILE 7 -1.624 -4.820 4.171 73 HB ILE 7 HB ILE 7 -3.123 -3.134 3.660 74 1HG1 ILE 7 1HG1 ILE 7 -4.742 -3.091 5.450 75 2HG1 ILE 7 2HG1 ILE 7 -5.501 -3.117 3.873 76 1HG2 ILE 7 1HG2 ILE 7 -4.211 -5.786 2.681 77 2HG2 ILE 7 2HG2 ILE 7 -4.568 -4.196 1.986 78 3HG2 ILE 7 3HG2 ILE 7 -2.907 -4.804 1.983 79 1HD1 ILE 7 1HD1 ILE 7 -5.362 -5.454 5.815 80 2HD1 ILE 7 2HD1 ILE 7 -6.768 -4.494 5.358 81 3HD1 ILE 7 3HD1 ILE 7 -6.014 -5.553 4.157 82 H GLN 8 H GLN 8 -0.508 -3.416 5.553 83 HA GLN 8 HA GLN 8 -1.886 -2.423 7.969 84 1HB GLN 8 1HB GLN 8 0.546 -2.377 8.827 85 2HB GLN 8 2HB GLN 8 -0.438 -3.828 9.057 86 1HG GLN 8 1HG GLN 8 1.585 -3.478 6.824 87 2HG GLN 8 2HG GLN 8 1.974 -4.163 8.407 88 1HE2 GLN 8 2HE2 GLN 8 2.412 -5.521 5.980 89 2HE2 GLN 8 1HE2 GLN 8 1.391 -6.944 5.986 90 H VAL 9 H VAL 9 -2.450 -0.553 7.007 91 HA VAL 9 HA VAL 9 -0.493 0.898 5.307 92 HB VAL 9 HB VAL 9 -3.514 1.131 5.542 93 1HG1 VAL 9 1HG1 VAL 9 -1.507 2.385 3.622 94 2HG1 VAL 9 2HG1 VAL 9 -3.279 2.459 3.471 95 3HG1 VAL 9 3HG1 VAL 9 -2.473 3.229 4.844 96 1HG2 VAL 9 1HG2 VAL 9 -2.905 -1.018 4.544 97 2HG2 VAL 9 2HG2 VAL 9 -3.514 0.065 3.289 98 3HG2 VAL 9 3HG2 VAL 9 -1.768 -0.223 3.432 99 H TYR 10 H TYR 10 0.678 2.233 6.603 100 HA TYR 10 HA TYR 10 -0.746 3.771 8.751 101 1HB TYR 10 1HB TYR 10 1.329 3.616 10.010 102 2HB TYR 10 2HB TYR 10 0.494 2.101 9.725 103 HD1 TYR 10 HD1 TYR 10 1.461 0.311 8.471 104 HD2 TYR 10 HD2 TYR 10 3.553 4.045 8.952 105 HE1 TYR 10 HE1 TYR 10 3.548 -0.760 7.684 106 HE2 TYR 10 HE2 TYR 10 5.652 2.954 8.175 107 HH TYR 10 HH TYR 10 5.742 -0.441 7.063 108 H SER 11 H SER 11 0.116 5.755 9.397 109 HA SER 11 HA SER 11 1.468 7.377 7.328 110 1HB SER 11 1HB SER 11 -0.652 8.154 8.527 111 2HB SER 11 2HB SER 11 0.330 8.337 9.979 112 HG SER 11 HG SER 11 0.827 9.551 7.456 113 H ARG 12 H ARG 12 3.733 7.685 7.639 114 HA ARG 12 HA ARG 12 5.002 6.618 10.051 115 1HB ARG 12 1HB ARG 12 5.880 7.687 7.417 116 2HB ARG 12 2HB ARG 12 7.004 7.970 8.734 117 1HG ARG 12 1HG ARG 12 5.824 5.254 8.068 118 2HG ARG 12 2HG ARG 12 7.358 5.843 7.415 119 1HD ARG 12 1HD ARG 12 6.776 5.335 10.375 120 2HD ARG 12 2HD ARG 12 7.744 4.355 9.294 121 HE ARG 12 HE ARG 12 9.456 5.920 9.224 122 1HH1 ARG 12 1HH2 ARG 12 6.852 7.103 11.373 123 2HH1 ARG 12 2HH2 ARG 12 7.886 8.267 12.145 124 1HH2 ARG 12 1HH1 ARG 12 10.754 7.471 10.255 125 2HH2 ARG 12 2HH1 ARG 12 10.089 8.486 11.509 126 H HIS 13 H HIS 13 5.165 9.850 8.501 127 HA HIS 13 HA HIS 13 5.774 11.142 11.065 128 1HB HIS 13 1HB HIS 13 5.387 12.157 8.234 129 2HB HIS 13 2HB HIS 13 5.824 13.183 9.599 130 HD2 HIS 13 HD2 HIS 13 8.062 13.638 7.787 131 HE1 HIS 13 HE1 HIS 13 9.974 10.036 8.914 132 HE2 HIS 13 HE2 HIS 13 10.291 12.267 7.711 133 HA PRO 14 HA PRO 14 1.535 12.118 11.904 134 1HB PRO 14 1HB PRO 14 1.591 14.497 13.229 135 2HB PRO 14 2HB PRO 14 2.279 12.990 13.896 136 1HG PRO 14 1HG PRO 14 3.760 15.214 12.476 137 2HG PRO 14 2HG PRO 14 4.190 14.419 14.016 138 1HD PRO 14 1HD PRO 14 5.301 13.704 11.634 139 2HD PRO 14 2HD PRO 14 4.973 12.483 12.883 140 H ALA 15 H ALA 15 0.212 12.478 10.218 141 HA ALA 15 HA ALA 15 0.581 14.163 8.038 142 1HB ALA 15 1HB ALA 15 -2.019 13.133 9.231 143 2HB ALA 15 2HB ALA 15 -1.802 13.734 7.573 144 3HB ALA 15 3HB ALA 15 -0.965 12.259 8.104 145 H GLU 16 H GLU 16 0.184 16.281 7.589 146 HA GLU 16 HA GLU 16 -1.368 18.038 9.348 147 1HB GLU 16 1HB GLU 16 0.691 17.786 10.611 148 2HB GLU 16 2HB GLU 16 1.666 18.062 9.174 149 1HG GLU 16 1HG GLU 16 0.725 20.424 9.082 150 2HG GLU 16 2HG GLU 16 -0.085 20.095 10.625 151 H ASN 17 H ASN 17 -1.935 19.922 8.293 152 HA ASN 17 HA ASN 17 -2.127 19.860 5.517 153 1HB ASN 17 1HB ASN 17 -2.568 22.037 7.562 154 2HB ASN 17 2HB ASN 17 -2.889 22.261 5.839 155 1HD2 ASN 17 2HD2 ASN 17 -4.906 22.471 7.845 156 2HD2 ASN 17 1HD2 ASN 17 -6.082 21.219 7.470 157 H GLY 18 H GLY 18 -0.498 20.021 4.079 158 1HA GLY 18 1HA GLY 18 1.161 20.963 2.838 159 2HA GLY 18 2HA GLY 18 0.902 22.483 3.708 160 H LYS 19 H LYS 19 1.972 19.202 4.703 161 HA LYS 19 HA LYS 19 4.585 20.226 5.671 162 1HB LYS 19 1HB LYS 19 2.879 20.510 7.429 163 2HB LYS 19 2HB LYS 19 2.545 18.776 7.261 164 1HG LYS 19 1HG LYS 19 3.878 18.935 9.188 165 2HG LYS 19 2HG LYS 19 4.982 18.348 7.957 166 1HD LYS 19 1HD LYS 19 6.016 20.506 7.716 167 2HD LYS 19 2HD LYS 19 4.732 21.321 8.627 168 1HE LYS 19 1HE LYS 19 6.540 19.186 9.842 169 2HE LYS 19 2HE LYS 19 6.902 20.921 9.896 170 1HZ LYS 19 1HZ LYS 19 4.856 21.280 11.053 171 2HZ LYS 19 2HZ LYS 19 4.469 19.695 11.018 172 3HZ LYS 19 3HZ LYS 19 5.784 20.191 11.875 173 H SER 20 H SER 20 5.215 19.090 4.073 174 HA SER 20 HA SER 20 4.978 16.728 2.949 175 1HB SER 20 1HB SER 20 7.455 16.496 2.595 176 2HB SER 20 2HB SER 20 6.661 17.997 2.121 177 HG SER 20 HG SER 20 7.412 18.874 4.159 178 H ASN 21 H ASN 21 4.782 14.736 3.477 179 HA ASN 21 HA ASN 21 5.612 13.757 6.166 180 1HB ASN 21 1HB ASN 21 3.186 14.607 5.417 181 2HB ASN 21 2HB ASN 21 3.064 12.968 4.824 182 1HD2 ASN 21 2HD2 ASN 21 3.552 15.041 7.630 183 2HD2 ASN 21 1HD2 ASN 21 3.136 13.858 8.847 184 H PHE 22 H PHE 22 4.481 11.162 5.868 185 HA PHE 22 HA PHE 22 5.748 9.906 3.523 186 1HB PHE 22 1HB PHE 22 6.797 9.644 6.331 187 2HB PHE 22 2HB PHE 22 6.746 8.207 5.311 188 HD1 PHE 22 HD1 PHE 22 8.204 11.613 5.554 189 HD2 PHE 22 HD2 PHE 22 8.167 7.873 3.420 190 HE1 PHE 22 HE1 PHE 22 10.315 12.248 4.402 191 HE2 PHE 22 HE2 PHE 22 10.325 8.467 2.344 192 HZ PHE 22 HZ PHE 22 11.380 10.668 2.805 193 H LEU 23 H LEU 23 4.312 8.604 2.753 194 HA LEU 23 HA LEU 23 2.254 7.316 4.484 195 1HB LEU 23 1HB LEU 23 1.347 8.708 2.717 196 2HB LEU 23 2HB LEU 23 2.371 7.918 1.520 197 HG LEU 23 HG LEU 23 1.058 5.803 1.915 198 1HD1 LEU 23 1HD1 LEU 23 -0.517 7.651 3.764 199 2HD1 LEU 23 2HD1 LEU 23 -1.071 6.053 3.207 200 3HD1 LEU 23 3HD1 LEU 23 0.342 6.181 4.262 201 1HD2 LEU 23 1HD2 LEU 23 0.433 7.456 0.162 202 2HD2 LEU 23 2HD2 LEU 23 -0.999 6.644 0.835 203 3HD2 LEU 23 3HD2 LEU 23 -0.588 8.301 1.342 204 H ASN 24 H ASN 24 2.212 5.104 4.657 205 HA ASN 24 HA ASN 24 4.070 3.498 2.951 206 1HB ASN 24 1HB ASN 24 3.754 3.522 5.949 207 2HB ASN 24 2HB ASN 24 4.628 2.288 5.029 208 1HD2 ASN 24 2HD2 ASN 24 6.808 2.638 4.684 209 2HD2 ASN 24 1HD2 ASN 24 7.618 4.170 4.913 210 H CYS 25 H CYS 25 2.498 2.529 1.742 211 HA CYS 25 HA CYS 25 0.389 0.946 3.079 212 1HB CYS 25 1HB CYS 25 1.281 0.715 0.190 213 2HB CYS 25 2HB CYS 25 -0.191 0.128 0.928 214 H TYR 26 H TYR 26 1.461 -0.683 4.345 215 HA TYR 26 HA TYR 26 3.613 -2.249 2.980 216 1HB TYR 26 1HB TYR 26 4.262 -1.335 5.134 217 2HB TYR 26 2HB TYR 26 2.850 -1.997 5.889 218 HD1 TYR 26 HD1 TYR 26 5.045 -3.863 3.458 219 HD2 TYR 26 HD2 TYR 26 4.006 -3.264 7.594 220 HE1 TYR 26 HE1 TYR 26 6.144 -5.981 4.035 221 HE2 TYR 26 HE2 TYR 26 4.998 -5.460 8.153 222 HH TYR 26 HH TYR 26 6.092 -7.331 7.351 223 H VAL 27 H VAL 27 3.074 -4.235 2.236 224 HA VAL 27 HA VAL 27 0.674 -5.566 3.397 225 HB VAL 27 HB VAL 27 1.440 -5.860 0.460 226 1HG1 VAL 27 1HG1 VAL 27 -1.131 -6.399 2.014 227 2HG1 VAL 27 2HG1 VAL 27 -0.801 -6.784 0.309 228 3HG1 VAL 27 3HG1 VAL 27 0.054 -7.634 1.604 229 1HG2 VAL 27 1HG2 VAL 27 -0.592 -3.998 1.700 230 2HG2 VAL 27 2HG2 VAL 27 0.826 -3.522 0.735 231 3HG2 VAL 27 3HG2 VAL 27 -0.492 -4.429 -0.031 232 H SER 28 H SER 28 0.978 -7.664 3.911 233 HA SER 28 HA SER 28 3.138 -9.183 2.737 234 1HB SER 28 1HB SER 28 4.108 -9.886 4.892 235 2HB SER 28 2HB SER 28 4.349 -8.177 4.705 236 HG SER 28 HG SER 28 2.295 -9.461 6.208 237 H GLY 29 H GLY 29 2.975 -11.515 4.143 238 1HA GLY 29 1HA GLY 29 1.514 -13.097 5.079 239 2HA GLY 29 2HA GLY 29 0.130 -12.089 4.710 240 H PHE 30 H PHE 30 1.034 -11.728 1.820 241 HA PHE 30 HA PHE 30 -0.755 -13.828 0.965 242 1HB PHE 30 1HB PHE 30 -0.689 -12.610 -1.202 243 2HB PHE 30 2HB PHE 30 -1.151 -11.647 0.137 244 HD1 PHE 30 HD1 PHE 30 0.239 -9.714 0.912 245 HD2 PHE 30 HD2 PHE 30 1.469 -12.250 -2.343 246 HE1 PHE 30 HE1 PHE 30 2.128 -8.203 0.429 247 HE2 PHE 30 HE2 PHE 30 3.244 -10.631 -2.934 248 HZ PHE 30 HZ PHE 30 3.640 -8.671 -1.478 249 H HIS 31 H HIS 31 -0.408 -15.003 -1.141 250 HA HIS 31 HA HIS 31 2.152 -15.037 -2.312 251 1HB HIS 31 1HB HIS 31 3.043 -17.097 -1.963 252 2HB HIS 31 2HB HIS 31 2.408 -16.773 -0.365 253 HD2 HIS 31 HD2 HIS 31 1.266 -18.741 -3.610 254 HE1 HIS 31 HE1 HIS 31 0.099 -20.898 -0.159 255 HE2 HIS 31 HE2 HIS 31 0.076 -20.911 -2.719 256 HA PRO 32 HA PRO 32 3.010 -16.483 -4.185 257 1HB PRO 32 1HB PRO 32 3.196 -16.372 -6.887 258 2HB PRO 32 2HB PRO 32 2.394 -17.721 -6.058 259 1HG PRO 32 1HG PRO 32 1.062 -15.223 -7.133 260 2HG PRO 32 2HG PRO 32 0.706 -16.914 -7.614 261 1HD PRO 32 1HD PRO 32 -0.738 -15.723 -5.666 262 2HD PRO 32 2HD PRO 32 -0.210 -17.413 -5.466 263 H SER 33 H SER 33 4.285 -14.949 -6.290 264 HA SER 33 HA SER 33 4.966 -12.747 -4.615 265 1HB SER 33 1HB SER 33 6.610 -12.328 -6.491 266 2HB SER 33 2HB SER 33 6.652 -13.981 -5.850 267 HG SER 33 HG SER 33 5.314 -13.114 -8.199 268 H ASP 34 H ASP 34 2.902 -12.996 -7.477 269 HA ASP 34 HA ASP 34 3.457 -10.324 -8.374 270 1HB ASP 34 1HB ASP 34 3.055 -12.116 -9.935 271 2HB ASP 34 2HB ASP 34 1.461 -12.441 -9.239 272 H ILE 35 H ILE 35 2.764 -8.693 -7.097 273 HA ILE 35 HA ILE 35 -0.177 -8.312 -6.874 274 HB ILE 35 HB ILE 35 0.631 -9.047 -4.818 275 1HG1 ILE 35 1HG1 ILE 35 0.376 -6.069 -4.409 276 2HG1 ILE 35 2HG1 ILE 35 -1.021 -7.037 -4.815 277 1HG2 ILE 35 1HG2 ILE 35 2.572 -6.749 -4.839 278 2HG2 ILE 35 2HG2 ILE 35 2.315 -7.912 -3.517 279 3HG2 ILE 35 3HG2 ILE 35 2.992 -8.480 -5.035 280 1HD1 ILE 35 1HD1 ILE 35 -0.437 -8.520 -2.803 281 2HD1 ILE 35 2HD1 ILE 35 0.696 -7.271 -2.310 282 3HD1 ILE 35 3HD1 ILE 35 -1.015 -6.871 -2.447 283 H GLU 36 H GLU 36 -0.881 -6.202 -6.819 284 HA GLU 36 HA GLU 36 0.844 -4.088 -8.006 285 1HB GLU 36 1HB GLU 36 -2.134 -4.402 -8.455 286 2HB GLU 36 2HB GLU 36 -0.948 -3.479 -9.380 287 1HG GLU 36 1HG GLU 36 0.120 -5.694 -10.002 288 2HG GLU 36 2HG GLU 36 -1.222 -6.511 -9.215 289 H VAL 37 H VAL 37 0.996 -2.332 -6.627 290 HA VAL 37 HA VAL 37 -1.368 -1.412 -5.137 291 HB VAL 37 HB VAL 37 1.263 -1.845 -3.678 292 1HG1 VAL 37 1HG1 VAL 37 -1.495 -1.075 -2.640 293 2HG1 VAL 37 2HG1 VAL 37 -0.037 -1.336 -1.664 294 3HG1 VAL 37 3HG1 VAL 37 -0.110 0.034 -2.775 295 1HG2 VAL 37 1HG2 VAL 37 -1.321 -3.447 -3.525 296 2HG2 VAL 37 2HG2 VAL 37 0.282 -4.009 -4.052 297 3HG2 VAL 37 3HG2 VAL 37 0.010 -3.567 -2.365 298 H ASP 38 H ASP 38 -1.092 -0.003 -7.080 299 HA ASP 38 HA ASP 38 0.971 2.044 -6.983 300 1HB ASP 38 1HB ASP 38 -1.828 2.260 -8.171 301 2HB ASP 38 2HB ASP 38 -0.435 3.283 -8.515 302 H LEU 39 H LEU 39 0.939 3.929 -5.750 303 HA LEU 39 HA LEU 39 -1.214 4.223 -3.745 304 1HB LEU 39 1HB LEU 39 1.418 5.698 -4.116 305 2HB LEU 39 2HB LEU 39 0.181 6.043 -2.896 306 HG LEU 39 HG LEU 39 0.405 3.460 -2.332 307 1HD1 LEU 39 1HD1 LEU 39 2.056 2.870 -4.112 308 2HD1 LEU 39 2HD1 LEU 39 3.161 4.094 -3.456 309 3HD1 LEU 39 3HD1 LEU 39 2.736 2.662 -2.501 310 1HD2 LEU 39 1HD2 LEU 39 0.878 5.309 -0.779 311 2HD2 LEU 39 2HD2 LEU 39 2.099 4.038 -0.624 312 3HD2 LEU 39 3HD2 LEU 39 2.484 5.518 -1.519 313 H LEU 40 H LEU 40 -2.930 5.453 -4.175 314 HA LEU 40 HA LEU 40 -2.960 7.102 -6.661 315 1HB LEU 40 1HB LEU 40 -3.598 4.595 -6.801 316 2HB LEU 40 2HB LEU 40 -5.007 5.033 -5.854 317 HG LEU 40 HG LEU 40 -5.584 4.870 -8.161 318 1HD1 LEU 40 1HD1 LEU 40 -5.476 7.861 -7.606 319 2HD1 LEU 40 2HD1 LEU 40 -6.603 6.994 -8.653 320 3HD1 LEU 40 3HD1 LEU 40 -6.669 6.742 -6.898 321 1HD2 LEU 40 1HD2 LEU 40 -3.247 5.292 -9.042 322 2HD2 LEU 40 2HD2 LEU 40 -4.559 6.045 -9.970 323 3HD2 LEU 40 3HD2 LEU 40 -3.588 7.029 -8.872 324 H LYS 41 H LYS 41 -3.661 9.166 -6.037 325 HA LYS 41 HA LYS 41 -4.993 9.518 -3.548 326 1HB LYS 41 1HB LYS 41 -4.390 11.446 -5.802 327 2HB LYS 41 2HB LYS 41 -4.671 11.857 -4.084 328 1HG LYS 41 1HG LYS 41 -2.654 10.982 -3.394 329 2HG LYS 41 2HG LYS 41 -2.379 10.003 -4.831 330 1HD LYS 41 1HD LYS 41 -0.979 11.905 -4.824 331 2HD LYS 41 2HD LYS 41 -2.004 11.867 -6.244 332 1HE LYS 41 1HE LYS 41 -3.371 13.609 -5.564 333 2HE LYS 41 2HE LYS 41 -2.965 13.416 -3.848 334 1HZ LYS 41 1HZ LYS 41 -0.825 14.304 -4.266 335 2HZ LYS 41 2HZ LYS 41 -1.128 14.444 -5.890 336 3HZ LYS 41 3HZ LYS 41 -1.966 15.368 -4.800 337 H ASN 42 H ASN 42 -6.372 11.891 -4.990 338 HA ASN 42 HA ASN 42 -9.087 10.954 -5.141 339 1HB ASN 42 1HB ASN 42 -9.335 13.313 -6.258 340 2HB ASN 42 2HB ASN 42 -8.828 13.221 -4.573 341 1HD2 ASN 42 2HD2 ASN 42 -7.337 13.430 -7.876 342 2HD2 ASN 42 1HD2 ASN 42 -5.970 14.381 -7.331 343 H GLY 43 H GLY 43 -6.518 11.449 -7.533 344 1HA GLY 43 1HA GLY 43 -7.517 9.591 -9.394 345 2HA GLY 43 2HA GLY 43 -8.115 11.193 -9.880 346 H GLU 44 H GLU 44 -5.066 10.282 -8.268 347 HA GLU 44 HA GLU 44 -3.415 10.908 -10.635 348 1HB GLU 44 1HB GLU 44 -3.733 13.059 -9.533 349 2HB GLU 44 2HB GLU 44 -3.348 12.365 -7.961 350 1HG GLU 44 1HG GLU 44 -1.016 11.843 -8.822 351 2HG GLU 44 2HG GLU 44 -1.443 12.677 -10.324 352 H ARG 45 H ARG 45 -1.973 9.274 -10.759 353 HA ARG 45 HA ARG 45 -1.443 7.566 -8.430 354 1HB ARG 45 1HB ARG 45 -0.359 6.095 -9.873 355 2HB ARG 45 2HB ARG 45 -1.809 6.629 -10.732 356 1HG ARG 45 1HG ARG 45 -0.416 8.203 -12.076 357 2HG ARG 45 2HG ARG 45 1.031 7.660 -11.198 358 1HD ARG 45 1HD ARG 45 0.606 5.334 -11.929 359 2HD ARG 45 2HD ARG 45 -0.713 5.904 -12.953 360 HE ARG 45 HE ARG 45 2.205 6.227 -13.330 361 1HH1 ARG 45 1HH2 ARG 45 -0.977 7.403 -14.403 362 2HH1 ARG 45 2HH2 ARG 45 -0.331 8.150 -15.843 363 1HH2 ARG 45 1HH1 ARG 45 3.014 7.229 -15.140 364 2HH2 ARG 45 2HH1 ARG 45 1.966 8.052 -16.280 365 H ILE 46 H ILE 46 0.437 7.516 -7.237 366 HA ILE 46 HA ILE 46 2.337 9.714 -7.556 367 HB ILE 46 HB ILE 46 1.716 7.602 -5.459 368 1HG1 ILE 46 1HG1 ILE 46 1.245 10.575 -5.133 369 2HG1 ILE 46 2HG1 ILE 46 0.028 9.611 -5.971 370 1HG2 ILE 46 1HG2 ILE 46 4.015 8.202 -5.271 371 2HG2 ILE 46 2HG2 ILE 46 3.643 9.932 -5.518 372 3HG2 ILE 46 3HG2 ILE 46 3.116 9.106 -4.030 373 1HD1 ILE 46 1HD1 ILE 46 -0.125 8.050 -4.074 374 2HD1 ILE 46 2HD1 ILE 46 1.017 9.055 -3.160 375 3HD1 ILE 46 3HD1 ILE 46 -0.554 9.696 -3.670 376 H GLU 47 H GLU 47 3.723 9.038 -9.266 377 HA GLU 47 HA GLU 47 4.356 6.274 -9.619 378 1HB GLU 47 1HB GLU 47 3.947 8.058 -11.370 379 2HB GLU 47 2HB GLU 47 5.565 8.697 -11.023 380 1HG GLU 47 1HG GLU 47 6.591 6.671 -11.749 381 2HG GLU 47 2HG GLU 47 5.059 5.774 -11.696 382 H LYS 48 H LYS 48 5.905 8.944 -7.910 383 HA LYS 48 HA LYS 48 8.454 7.535 -7.620 384 1HB LYS 48 1HB LYS 48 8.250 10.043 -7.594 385 2HB LYS 48 2HB LYS 48 7.435 9.910 -6.028 386 1HG LYS 48 1HG LYS 48 9.514 8.523 -5.273 387 2HG LYS 48 2HG LYS 48 10.262 9.046 -6.789 388 1HD LYS 48 1HD LYS 48 9.937 11.428 -6.069 389 2HD LYS 48 2HD LYS 48 9.230 10.840 -4.546 390 1HE LYS 48 1HE LYS 48 11.362 9.614 -4.057 391 2HE LYS 48 2HE LYS 48 12.069 10.291 -5.537 392 1HZ LYS 48 1HZ LYS 48 11.717 12.479 -4.586 393 2HZ LYS 48 2HZ LYS 48 11.113 11.807 -3.209 394 3HZ LYS 48 3HZ LYS 48 12.682 11.548 -3.625 395 H VAL 49 H VAL 49 7.394 5.504 -6.972 396 HA VAL 49 HA VAL 49 6.697 5.392 -4.066 397 HB VAL 49 HB VAL 49 6.588 3.163 -6.137 398 1HG1 VAL 49 1HG1 VAL 49 6.803 2.412 -3.790 399 2HG1 VAL 49 2HG1 VAL 49 5.436 3.439 -3.323 400 3HG1 VAL 49 3HG1 VAL 49 5.188 2.064 -4.421 401 1HG2 VAL 49 1HG2 VAL 49 4.415 5.068 -5.200 402 2HG2 VAL 49 2HG2 VAL 49 4.982 4.765 -6.860 403 3HG2 VAL 49 3HG2 VAL 49 4.092 3.510 -5.996 404 H GLU 50 H GLU 50 8.509 5.210 -2.824 405 HA GLU 50 HA GLU 50 10.907 3.757 -3.780 406 1HB GLU 50 1HB GLU 50 11.115 5.805 -2.323 407 2HB GLU 50 2HB GLU 50 10.323 4.883 -1.029 408 1HG GLU 50 1HG GLU 50 12.102 3.148 -1.204 409 2HG GLU 50 2HG GLU 50 12.904 4.127 -2.448 410 H HIS 51 H HIS 51 11.026 1.543 -3.392 411 HA HIS 51 HA HIS 51 9.053 0.365 -1.516 412 1HB HIS 51 1HB HIS 51 8.352 -1.266 -3.120 413 2HB HIS 51 2HB HIS 51 8.111 0.337 -3.816 414 HD2 HIS 51 HD2 HIS 51 9.871 0.990 -5.964 415 HE1 HIS 51 HE1 HIS 51 11.356 -2.955 -6.374 416 HE2 HIS 51 HE2 HIS 51 11.276 -0.641 -7.459 417 H SER 52 H SER 52 9.570 -1.620 -0.670 418 HA SER 52 HA SER 52 12.457 -1.948 -0.317 419 1HB SER 52 1HB SER 52 11.903 -3.423 1.486 420 2HB SER 52 2HB SER 52 10.852 -2.000 1.579 421 HG SER 52 HG SER 52 10.202 -4.546 0.486 422 H ASP 53 H ASP 53 10.557 -3.075 -2.755 423 HA ASP 53 HA ASP 53 10.630 -4.662 -4.245 424 1HB ASP 53 1HB ASP 53 13.105 -4.244 -4.148 425 2HB ASP 53 2HB ASP 53 13.260 -5.627 -3.053 426 H LEU 54 H LEU 54 10.436 -6.974 -4.689 427 HA LEU 54 HA LEU 54 8.623 -8.089 -2.780 428 1HB LEU 54 1HB LEU 54 8.253 -8.158 -5.147 429 2HB LEU 54 2HB LEU 54 9.688 -9.139 -5.410 430 HG LEU 54 HG LEU 54 7.419 -10.319 -5.448 431 1HD1 LEU 54 1HD1 LEU 54 9.678 -11.416 -5.162 432 2HD1 LEU 54 2HD1 LEU 54 9.267 -11.572 -3.441 433 3HD1 LEU 54 3HD1 LEU 54 8.236 -12.306 -4.693 434 1HD2 LEU 54 1HD2 LEU 54 6.417 -9.128 -3.541 435 2HD2 LEU 54 2HD2 LEU 54 6.248 -10.886 -3.513 436 3HD2 LEU 54 3HD2 LEU 54 7.429 -10.101 -2.450 437 H SER 55 H SER 55 9.043 -9.335 -1.108 438 HA SER 55 HA SER 55 11.259 -11.280 -1.039 439 1HB SER 55 1HB SER 55 12.196 -9.089 -0.208 440 2HB SER 55 2HB SER 55 10.938 -9.053 1.039 441 HG SER 55 HG SER 55 11.768 -11.026 1.829 442 H PHE 56 H PHE 56 10.381 -13.117 -0.131 443 HA PHE 56 HA PHE 56 7.954 -12.892 1.525 444 1HB PHE 56 1HB PHE 56 7.549 -15.067 1.156 445 2HB PHE 56 2HB PHE 56 8.302 -14.605 -0.354 446 HD1 PHE 56 HD1 PHE 56 7.834 -17.370 0.777 447 HD2 PHE 56 HD2 PHE 56 11.261 -14.768 0.774 448 HE1 PHE 56 HE1 PHE 56 9.321 -19.319 1.254 449 HE2 PHE 56 HE2 PHE 56 12.734 -16.697 1.285 450 HZ PHE 56 HZ PHE 56 11.763 -18.972 1.553 451 H SER 57 H SER 57 7.730 -14.309 3.414 452 HA SER 57 HA SER 57 10.074 -14.115 5.220 453 1HB SER 57 1HB SER 57 8.616 -14.109 6.972 454 2HB SER 57 2HB SER 57 7.513 -13.439 5.770 455 HG SER 57 HG SER 57 6.919 -15.395 7.144 456 H LYS 58 H LYS 58 10.643 -16.120 6.420 457 HA LYS 58 HA LYS 58 10.705 -18.494 4.769 458 1HB LYS 58 1HB LYS 58 11.400 -18.037 7.698 459 2HB LYS 58 2HB LYS 58 11.664 -19.553 6.804 460 1HG LYS 58 1HG LYS 58 13.156 -18.466 5.230 461 2HG LYS 58 2HG LYS 58 12.825 -16.879 5.927 462 1HD LYS 58 1HD LYS 58 14.990 -17.673 6.602 463 2HD LYS 58 2HD LYS 58 13.950 -17.471 8.012 464 1HE LYS 58 1HE LYS 58 14.282 -20.192 6.675 465 2HE LYS 58 2HE LYS 58 15.503 -19.574 7.797 466 1HZ LYS 58 1HZ LYS 58 12.679 -19.923 8.485 467 2HZ LYS 58 2HZ LYS 58 13.910 -20.933 8.904 468 3HZ LYS 58 3HZ LYS 58 13.876 -19.392 9.482 469 H ASP 59 H ASP 59 8.243 -17.213 6.807 470 HA ASP 59 HA ASP 59 7.012 -19.806 7.233 471 1HB ASP 59 1HB ASP 59 5.691 -17.106 7.628 472 2HB ASP 59 2HB ASP 59 5.339 -18.634 8.438 473 H TRP 60 H TRP 60 7.554 -18.505 4.420 474 HA TRP 60 HA TRP 60 6.669 -18.621 2.399 475 1HB TRP 60 1HB TRP 60 4.585 -20.455 3.611 476 2HB TRP 60 2HB TRP 60 5.018 -20.307 1.909 477 HD1 TRP 60 HD1 TRP 60 6.316 -21.668 5.213 478 HE1 TRP 60 HE1 TRP 60 8.348 -23.217 4.818 479 HE3 TRP 60 HE3 TRP 60 6.982 -20.894 0.198 480 HZ2 TRP 60 HZ2 TRP 60 10.043 -23.962 2.649 481 HZ3 TRP 60 HZ3 TRP 60 8.836 -22.016 -0.997 482 HH2 TRP 60 HH2 TRP 60 10.376 -23.542 0.216 483 H SER 61 H SER 61 6.257 -16.299 3.193 484 HA SER 61 HA SER 61 3.505 -15.496 2.416 485 1HB SER 61 1HB SER 61 4.907 -14.723 5.016 486 2HB SER 61 2HB SER 61 3.486 -13.911 4.350 487 HG SER 61 HG SER 61 3.669 -16.664 5.014 488 H PHE 62 H PHE 62 4.167 -14.450 0.569 489 HA PHE 62 HA PHE 62 6.494 -12.914 0.196 490 1HB PHE 62 1HB PHE 62 3.879 -13.076 -1.255 491 2HB PHE 62 2HB PHE 62 4.997 -11.762 -1.586 492 HD1 PHE 62 HD1 PHE 62 4.255 -15.046 -2.546 493 HD2 PHE 62 HD2 PHE 62 7.534 -12.348 -1.876 494 HE1 PHE 62 HE1 PHE 62 5.700 -16.495 -3.878 495 HE2 PHE 62 HE2 PHE 62 9.054 -13.919 -2.951 496 HZ PHE 62 HZ PHE 62 8.107 -15.891 -4.209 497 H TYR 63 H TYR 63 6.738 -10.664 0.036 498 HA TYR 63 HA TYR 63 4.597 -8.877 0.800 499 1HB TYR 63 1HB TYR 63 5.594 -7.905 2.840 500 2HB TYR 63 2HB TYR 63 5.144 -9.598 3.012 501 HD1 TYR 63 HD1 TYR 63 6.484 -11.168 3.960 502 HD2 TYR 63 HD2 TYR 63 8.018 -7.392 2.596 503 HE1 TYR 63 HE1 TYR 63 8.552 -11.556 5.218 504 HE2 TYR 63 HE2 TYR 63 10.097 -7.765 3.804 505 HH TYR 63 HH TYR 63 11.323 -9.245 5.137 506 H LEU 64 H LEU 64 5.442 -6.652 1.169 507 HA LEU 64 HA LEU 64 7.979 -5.775 0.591 508 1HB LEU 64 1HB LEU 64 7.842 -4.701 -1.568 509 2HB LEU 64 2HB LEU 64 7.730 -6.439 -1.730 510 HG LEU 64 HG LEU 64 5.532 -4.413 -2.051 511 1HD1 LEU 64 1HD1 LEU 64 6.692 -6.459 -3.994 512 2HD1 LEU 64 2HD1 LEU 64 5.425 -5.286 -4.365 513 3HD1 LEU 64 3HD1 LEU 64 7.063 -4.716 -3.998 514 1HD2 LEU 64 1HD2 LEU 64 5.400 -7.451 -2.038 515 2HD2 LEU 64 2HD2 LEU 64 4.363 -6.317 -1.114 516 3HD2 LEU 64 3HD2 LEU 64 4.194 -6.487 -2.866 517 H LEU 65 H LEU 65 8.107 -3.522 0.840 518 HA LEU 65 HA LEU 65 5.746 -2.194 2.033 519 1HB LEU 65 1HB LEU 65 8.293 -2.643 2.958 520 2HB LEU 65 2HB LEU 65 8.539 -1.091 2.166 521 HG LEU 65 HG LEU 65 6.455 -1.738 4.298 522 1HD1 LEU 65 1HD1 LEU 65 8.755 -1.888 5.148 523 2HD1 LEU 65 2HD1 LEU 65 9.141 -0.301 4.448 524 3HD1 LEU 65 3HD1 LEU 65 7.975 -0.425 5.784 525 1HD2 LEU 65 1HD2 LEU 65 5.859 0.230 2.795 526 2HD2 LEU 65 2HD2 LEU 65 6.094 0.629 4.503 527 3HD2 LEU 65 3HD2 LEU 65 7.372 0.994 3.340 528 H TYR 66 H TYR 66 4.943 -0.355 0.941 529 HA TYR 66 HA TYR 66 6.387 0.495 -1.518 530 1HB TYR 66 1HB TYR 66 3.362 0.158 -1.397 531 2HB TYR 66 2HB TYR 66 4.382 0.320 -2.808 532 HD1 TYR 66 HD1 TYR 66 4.466 -1.685 -4.130 533 HD2 TYR 66 HD2 TYR 66 3.847 -2.078 0.132 534 HE1 TYR 66 HE1 TYR 66 3.337 -3.880 -4.441 535 HE2 TYR 66 HE2 TYR 66 2.811 -4.237 -0.206 536 HH TYR 66 HH TYR 66 1.800 -5.613 -1.727 537 H TYR 67 H TYR 67 7.005 2.394 -0.620 538 HA TYR 67 HA TYR 67 4.954 4.110 0.671 539 1HB TYR 67 1HB TYR 67 6.742 4.805 2.122 540 2HB TYR 67 2HB TYR 67 6.180 3.158 2.223 541 HD1 TYR 67 HD1 TYR 67 9.022 5.294 1.885 542 HD2 TYR 67 HD2 TYR 67 7.662 1.294 1.042 543 HE1 TYR 67 HE1 TYR 67 11.350 4.473 1.964 544 HE2 TYR 67 HE2 TYR 67 9.981 0.484 1.070 545 HH TYR 67 HH TYR 67 12.757 2.731 1.336 546 H THR 68 H THR 68 5.019 6.183 0.481 547 HA THR 68 HA THR 68 6.905 7.538 -1.429 548 HB THR 68 HB THR 68 4.793 6.853 -2.408 549 HG1 THR 68 HG1 THR 68 5.949 8.465 -3.316 550 1HG2 THR 68 1HG2 THR 68 3.540 9.100 -0.764 551 2HG2 THR 68 2HG2 THR 68 2.762 8.053 -1.965 552 3HG2 THR 68 3HG2 THR 68 3.308 7.368 -0.430 553 H GLU 69 H GLU 69 6.315 10.040 -1.337 554 HA GLU 69 HA GLU 69 6.680 10.956 1.483 555 1HB GLU 69 1HB GLU 69 7.635 12.210 -1.088 556 2HB GLU 69 2HB GLU 69 8.070 12.690 0.561 557 1HG GLU 69 1HG GLU 69 9.198 10.488 0.850 558 2HG GLU 69 2HG GLU 69 8.802 10.054 -0.819 559 H PHE 70 H PHE 70 4.168 10.980 1.466 560 HA PHE 70 HA PHE 70 2.926 12.772 -0.440 561 1HB PHE 70 1HB PHE 70 0.914 12.125 0.325 562 2HB PHE 70 2HB PHE 70 1.867 10.644 0.459 563 HD1 PHE 70 HD1 PHE 70 3.022 10.586 3.011 564 HD2 PHE 70 HD2 PHE 70 -0.724 12.410 1.932 565 HE1 PHE 70 HE1 PHE 70 2.215 10.361 5.357 566 HE2 PHE 70 HE2 PHE 70 -1.288 12.588 4.315 567 HZ PHE 70 HZ PHE 70 0.148 11.505 6.044 568 H THR 71 H THR 71 2.149 14.728 -0.152 569 HA THR 71 HA THR 71 2.620 16.222 2.397 570 HB THR 71 HB THR 71 2.485 17.240 -0.418 571 HG1 THR 71 HG1 THR 71 4.319 15.982 0.090 572 1HG2 THR 71 1HG2 THR 71 3.380 19.305 0.679 573 2HG2 THR 71 2HG2 THR 71 1.741 18.940 1.231 574 3HG2 THR 71 3HG2 THR 71 3.128 18.559 2.268 575 HA PRO 72 HA PRO 72 -1.987 15.913 1.740 576 1HB PRO 72 1HB PRO 72 -2.848 15.756 4.318 577 2HB PRO 72 2HB PRO 72 -2.110 14.392 3.447 578 1HG PRO 72 1HG PRO 72 -0.791 16.315 5.384 579 2HG PRO 72 2HG PRO 72 -0.654 14.549 5.394 580 1HD PRO 72 1HD PRO 72 1.221 16.208 4.252 581 2HD PRO 72 2HD PRO 72 0.887 14.585 3.591 582 H THR 73 H THR 73 -2.925 17.843 1.154 583 HA THR 73 HA THR 73 -3.011 20.117 3.078 584 HB THR 73 HB THR 73 -4.042 21.336 1.302 585 HG1 THR 73 HG1 THR 73 -3.945 18.950 -0.220 586 1HG2 THR 73 1HG2 THR 73 -2.286 21.357 -0.368 587 2HG2 THR 73 2HG2 THR 73 -1.572 21.155 1.245 588 3HG2 THR 73 3HG2 THR 73 -1.701 19.766 0.145 589 H GLU 74 H GLU 74 -5.437 21.049 3.076 590 HA GLU 74 HA GLU 74 -7.385 19.277 4.130 591 1HB GLU 74 1HB GLU 74 -7.568 21.909 2.607 592 2HB GLU 74 2HB GLU 74 -8.982 21.108 3.298 593 1HG GLU 74 1HG GLU 74 -6.557 21.930 4.953 594 2HG GLU 74 2HG GLU 74 -7.991 22.935 4.717 595 H LYS 75 H LYS 75 -6.550 20.178 0.783 596 HA LYS 75 HA LYS 75 -8.790 18.588 -0.326 597 1HB LYS 75 1HB LYS 75 -8.334 20.997 -0.978 598 2HB LYS 75 2HB LYS 75 -6.848 20.438 -1.754 599 1HG LYS 75 1HG LYS 75 -8.285 18.914 -3.200 600 2HG LYS 75 2HG LYS 75 -9.717 19.607 -2.414 601 1HD LYS 75 1HD LYS 75 -9.041 21.869 -3.205 602 2HD LYS 75 2HD LYS 75 -7.611 21.161 -3.987 603 1HE LYS 75 1HE LYS 75 -9.087 19.789 -5.442 604 2HE LYS 75 2HE LYS 75 -10.515 20.503 -4.666 605 1HZ LYS 75 1HZ LYS 75 -8.480 21.962 -6.199 606 2HZ LYS 75 2HZ LYS 75 -10.003 21.592 -6.708 607 3HZ LYS 75 3HZ LYS 75 -9.785 22.643 -5.458 608 H ASP 76 H ASP 76 -7.159 16.874 0.857 609 HA ASP 76 HA ASP 76 -6.081 15.395 -1.444 610 1HB ASP 76 1HB ASP 76 -4.426 16.172 0.981 611 2HB ASP 76 2HB ASP 76 -4.100 14.686 0.096 612 H GLU 77 H GLU 77 -6.438 13.276 -1.315 613 HA GLU 77 HA GLU 77 -6.721 11.932 1.266 614 1HB GLU 77 1HB GLU 77 -9.051 12.559 0.555 615 2HB GLU 77 2HB GLU 77 -8.820 11.600 -0.919 616 1HG GLU 77 1HG GLU 77 -8.378 9.586 0.525 617 2HG GLU 77 2HG GLU 77 -8.662 10.587 1.961 618 H TYR 78 H TYR 78 -5.472 10.144 1.145 619 HA TYR 78 HA TYR 78 -4.432 9.264 -1.516 620 1HB TYR 78 1HB TYR 78 -3.149 9.698 1.164 621 2HB TYR 78 2HB TYR 78 -2.512 8.495 0.042 622 HD1 TYR 78 HD1 TYR 78 -0.604 9.255 -1.028 623 HD2 TYR 78 HD2 TYR 78 -3.768 12.071 -0.226 624 HE1 TYR 78 HE1 TYR 78 0.711 11.051 -2.106 625 HE2 TYR 78 HE2 TYR 78 -2.507 13.813 -1.429 626 HH TYR 78 HH TYR 78 0.773 13.255 -2.749 627 H ALA 79 H ALA 79 -4.263 7.068 -1.957 628 HA ALA 79 HA ALA 79 -5.264 5.139 0.039 629 1HB ALA 79 1HB ALA 79 -6.401 5.384 -2.781 630 2HB ALA 79 2HB ALA 79 -6.961 4.309 -1.495 631 3HB ALA 79 3HB ALA 79 -7.215 6.063 -1.365 632 H CYS 80 H CYS 80 -5.075 2.936 -0.646 633 HA CYS 80 HA CYS 80 -2.624 2.417 -2.273 634 1HB CYS 80 1HB CYS 80 -3.917 0.726 -0.117 635 2HB CYS 80 2HB CYS 80 -2.341 0.466 -0.864 636 H ARG 81 H ARG 81 -3.014 1.380 -4.193 637 HA ARG 81 HA ARG 81 -5.689 0.501 -4.914 638 1HB ARG 81 1HB ARG 81 -4.145 1.771 -6.390 639 2HB ARG 81 2HB ARG 81 -3.050 0.391 -6.372 640 1HG ARG 81 1HG ARG 81 -5.498 -0.711 -7.263 641 2HG ARG 81 2HG ARG 81 -5.458 0.910 -7.961 642 1HD ARG 81 1HD ARG 81 -2.939 0.213 -8.586 643 2HD ARG 81 2HD ARG 81 -3.570 -1.414 -8.373 644 HE ARG 81 HE ARG 81 -4.658 -1.215 -10.383 645 1HH1 ARG 81 1HH2 ARG 81 -3.801 2.038 -9.255 646 2HH1 ARG 81 2HH2 ARG 81 -4.226 2.818 -10.755 647 1HH2 ARG 81 1HH1 ARG 81 -5.183 -0.181 -12.369 648 2HH2 ARG 81 2HH1 ARG 81 -5.012 1.548 -12.532 649 H VAL 82 H VAL 82 -5.652 -1.328 -3.107 650 HA VAL 82 HA VAL 82 -3.550 -3.257 -3.225 651 HB VAL 82 HB VAL 82 -6.189 -3.349 -1.726 652 1HG1 VAL 82 1HG1 VAL 82 -3.620 -4.947 -1.361 653 2HG1 VAL 82 2HG1 VAL 82 -5.025 -4.973 -0.273 654 3HG1 VAL 82 3HG1 VAL 82 -5.178 -5.600 -1.914 655 1HG2 VAL 82 1HG2 VAL 82 -3.402 -2.438 -0.883 656 2HG2 VAL 82 2HG2 VAL 82 -4.834 -1.403 -1.066 657 3HG2 VAL 82 3HG2 VAL 82 -4.797 -2.624 0.200 658 H ASN 83 H ASN 83 -3.327 -4.652 -4.908 659 HA ASN 83 HA ASN 83 -5.578 -6.473 -5.484 660 1HB ASN 83 1HB ASN 83 -5.770 -4.550 -7.052 661 2HB ASN 83 2HB ASN 83 -4.184 -4.931 -7.701 662 1HD2 ASN 83 2HD2 ASN 83 -4.270 -6.214 -9.568 663 2HD2 ASN 83 1HD2 ASN 83 -5.532 -7.382 -9.891 664 H HIS 84 H HIS 84 -4.304 -8.090 -4.470 665 HA HIS 84 HA HIS 84 -1.669 -8.957 -5.479 666 1HB HIS 84 1HB HIS 84 -2.397 -9.432 -3.181 667 2HB HIS 84 2HB HIS 84 -3.816 -10.260 -3.803 668 HD2 HIS 84 HD2 HIS 84 0.124 -10.880 -4.030 669 HE1 HIS 84 HE1 HIS 84 -2.011 -14.527 -4.152 670 HE2 HIS 84 HE2 HIS 84 0.337 -13.470 -4.141 671 H VAL 85 H VAL 85 -1.528 -10.959 -6.845 672 HA VAL 85 HA VAL 85 -3.239 -10.971 -9.026 673 HB VAL 85 HB VAL 85 -0.985 -11.928 -8.992 674 1HG1 VAL 85 1HG1 VAL 85 -2.234 -14.383 -7.670 675 2HG1 VAL 85 2HG1 VAL 85 -0.595 -14.236 -8.319 676 3HG1 VAL 85 3HG1 VAL 85 -1.070 -13.269 -6.911 677 1HG2 VAL 85 1HG2 VAL 85 -3.063 -13.873 -10.047 678 2HG2 VAL 85 2HG2 VAL 85 -2.531 -12.376 -10.849 679 3HG2 VAL 85 3HG2 VAL 85 -1.381 -13.697 -10.583 680 H THR 86 H THR 86 -3.645 -12.776 -5.979 681 HA THR 86 HA THR 86 -5.795 -14.379 -7.079 682 HB THR 86 HB THR 86 -4.079 -14.913 -5.146 683 HG1 THR 86 HG1 THR 86 -5.527 -16.296 -6.176 684 1HG2 THR 86 1HG2 THR 86 -6.604 -14.237 -3.583 685 2HG2 THR 86 2HG2 THR 86 -5.069 -14.882 -2.969 686 3HG2 THR 86 3HG2 THR 86 -5.157 -13.206 -3.555 687 H LEU 87 H LEU 87 -5.673 -11.158 -5.677 688 HA LEU 87 HA LEU 87 -8.530 -11.073 -5.046 689 1HB LEU 87 1HB LEU 87 -6.335 -9.037 -5.346 690 2HB LEU 87 2HB LEU 87 -7.993 -8.534 -5.565 691 HG LEU 87 HG LEU 87 -8.659 -9.252 -3.384 692 1HD1 LEU 87 1HD1 LEU 87 -5.785 -10.144 -2.943 693 2HD1 LEU 87 2HD1 LEU 87 -7.049 -10.065 -1.705 694 3HD1 LEU 87 3HD1 LEU 87 -7.191 -11.219 -3.038 695 1HD2 LEU 87 1HD2 LEU 87 -7.670 -6.993 -3.680 696 2HD2 LEU 87 2HD2 LEU 87 -7.344 -7.635 -2.058 697 3HD2 LEU 87 3HD2 LEU 87 -6.065 -7.645 -3.287 698 H SER 88 H SER 88 -9.876 -11.631 -6.617 699 HA SER 88 HA SER 88 -9.512 -11.088 -9.433 700 1HB SER 88 1HB SER 88 -11.989 -11.808 -7.808 701 2HB SER 88 2HB SER 88 -11.859 -11.846 -9.578 702 HG SER 88 HG SER 88 -10.233 -13.345 -7.791 703 H GLN 89 H GLN 89 -10.241 -9.029 -6.794 704 HA GLN 89 HA GLN 89 -11.441 -6.981 -8.562 705 1HB GLN 89 1HB GLN 89 -12.361 -7.820 -5.797 706 2HB GLN 89 2HB GLN 89 -12.868 -6.323 -6.585 707 1HG GLN 89 1HG GLN 89 -13.381 -9.104 -7.748 708 2HG GLN 89 2HG GLN 89 -14.498 -8.225 -6.712 709 1HE2 GLN 89 2HE2 GLN 89 -12.955 -8.230 -9.924 710 2HE2 GLN 89 1HE2 GLN 89 -14.085 -7.103 -10.649 711 HA PRO 90 HA PRO 90 -7.997 -4.960 -6.355 712 1HB PRO 90 1HB PRO 90 -8.079 -2.507 -7.539 713 2HB PRO 90 2HB PRO 90 -7.525 -3.950 -8.438 714 1HG PRO 90 1HG PRO 90 -10.291 -2.730 -8.479 715 2HG PRO 90 2HG PRO 90 -9.268 -3.179 -9.876 716 1HD PRO 90 1HD PRO 90 -11.212 -4.815 -8.888 717 2HD PRO 90 2HD PRO 90 -9.686 -5.490 -9.543 718 H LYS 91 H LYS 91 -7.918 -3.380 -4.639 719 HA LYS 91 HA LYS 91 -10.565 -2.343 -3.688 720 1HB LYS 91 1HB LYS 91 -8.450 -3.824 -2.075 721 2HB LYS 91 2HB LYS 91 -9.929 -3.070 -1.447 722 1HG LYS 91 1HG LYS 91 -11.287 -4.610 -2.866 723 2HG LYS 91 2HG LYS 91 -9.792 -5.387 -3.428 724 1HD LYS 91 1HD LYS 91 -9.210 -6.006 -1.114 725 2HD LYS 91 2HD LYS 91 -10.708 -5.248 -0.528 726 1HE LYS 91 1HE LYS 91 -12.049 -6.818 -1.902 727 2HE LYS 91 2HE LYS 91 -10.561 -7.559 -2.523 728 1HZ LYS 91 1HZ LYS 91 -11.413 -7.533 0.287 729 2HZ LYS 91 2HZ LYS 91 -11.502 -8.817 -0.741 730 3HZ LYS 91 3HZ LYS 91 -10.032 -8.222 -0.294 731 H ILE 92 H ILE 92 -10.219 -0.196 -4.065 732 HA ILE 92 HA ILE 92 -7.587 0.958 -3.667 733 HB ILE 92 HB ILE 92 -10.112 2.461 -4.367 734 1HG1 ILE 92 1HG1 ILE 92 -10.139 0.665 -5.958 735 2HG1 ILE 92 2HG1 ILE 92 -9.558 2.126 -6.740 736 1HG2 ILE 92 1HG2 ILE 92 -8.149 3.802 -3.824 737 2HG2 ILE 92 2HG2 ILE 92 -7.130 2.852 -4.913 738 3HG2 ILE 92 3HG2 ILE 92 -8.426 3.869 -5.575 739 1HD1 ILE 92 1HD1 ILE 92 -7.225 1.304 -6.552 740 2HD1 ILE 92 2HD1 ILE 92 -7.818 -0.209 -5.826 741 3HD1 ILE 92 3HD1 ILE 92 -8.262 0.214 -7.484 742 H VAL 93 H VAL 93 -7.580 0.264 -1.385 743 HA VAL 93 HA VAL 93 -9.425 1.342 0.537 744 HB VAL 93 HB VAL 93 -6.715 -0.024 0.794 745 1HG1 VAL 93 1HG1 VAL 93 -7.035 1.309 2.829 746 2HG1 VAL 93 2HG1 VAL 93 -8.712 0.742 2.973 747 3HG1 VAL 93 3HG1 VAL 93 -7.358 -0.385 3.188 748 1HG2 VAL 93 1HG2 VAL 93 -9.558 -1.013 1.307 749 2HG2 VAL 93 2HG2 VAL 93 -8.584 -1.413 -0.122 750 3HG2 VAL 93 3HG2 VAL 93 -8.064 -1.958 1.478 751 H LYS 94 H LYS 94 -9.531 3.505 0.881 752 HA LYS 94 HA LYS 94 -7.313 5.300 0.776 753 1HB LYS 94 1HB LYS 94 -8.713 6.894 1.903 754 2HB LYS 94 2HB LYS 94 -9.524 6.108 0.544 755 1HG LYS 94 1HG LYS 94 -10.814 4.679 2.120 756 2HG LYS 94 2HG LYS 94 -9.930 5.387 3.483 757 1HD LYS 94 1HD LYS 94 -12.085 6.431 3.344 758 2HD LYS 94 2HD LYS 94 -10.830 7.616 2.952 759 1HE LYS 94 1HE LYS 94 -11.350 7.285 0.499 760 2HE LYS 94 2HE LYS 94 -12.626 6.142 0.958 761 1HZ LYS 94 1HZ LYS 94 -13.657 7.973 2.153 762 2HZ LYS 94 2HZ LYS 94 -12.445 8.985 1.661 763 3HZ LYS 94 3HZ LYS 94 -13.461 8.326 0.549 764 H TRP 95 H TRP 95 -5.824 5.848 2.219 765 HA TRP 95 HA TRP 95 -5.027 3.849 3.981 766 1HB TRP 95 1HB TRP 95 -3.152 4.907 3.422 767 2HB TRP 95 2HB TRP 95 -4.011 6.348 2.996 768 HD1 TRP 95 HD1 TRP 95 -2.972 4.918 6.467 769 HE1 TRP 95 HE1 TRP 95 -2.181 6.942 7.903 770 HE3 TRP 95 HE3 TRP 95 -3.309 8.620 2.977 771 HZ2 TRP 95 HZ2 TRP 95 -2.057 9.783 7.646 772 HZ3 TRP 95 HZ3 TRP 95 -2.867 10.967 3.592 773 HH2 TRP 95 HH2 TRP 95 -2.341 11.566 5.945 774 H ASP 96 H ASP 96 -5.469 7.109 5.352 775 HA ASP 96 HA ASP 96 -7.385 6.688 7.306 776 1HB ASP 96 1HB ASP 96 -5.357 4.967 8.021 777 2HB ASP 96 2HB ASP 96 -4.717 6.435 8.709 778 H ARG 97 H ARG 97 -6.329 8.215 9.369 779 HA ARG 97 HA ARG 97 -4.513 10.256 8.528 780 1HB ARG 97 1HB ARG 97 -6.151 12.114 9.122 781 2HB ARG 97 2HB ARG 97 -6.341 11.385 7.528 782 1HG ARG 97 1HG ARG 97 -8.023 10.180 9.702 783 2HG ARG 97 2HG ARG 97 -8.393 11.849 9.270 784 1HD ARG 97 1HD ARG 97 -8.730 11.309 6.956 785 2HD ARG 97 2HD ARG 97 -8.190 9.649 7.168 786 HE ARG 97 HE ARG 97 -10.796 10.755 7.747 787 1HH1 ARG 97 1HH2 ARG 97 -8.547 8.172 8.748 788 2HH1 ARG 97 2HH2 ARG 97 -9.817 7.069 9.173 789 1HH2 ARG 97 1HH1 ARG 97 -12.449 9.293 8.368 790 2HH2 ARG 97 2HH1 ARG 97 -12.036 7.714 8.987 791 H ASP 98 H ASP 98 -3.454 9.152 10.201 792 HA ASP 98 HA ASP 98 -4.594 9.269 12.949 793 1HB ASP 98 1HB ASP 98 -4.427 7.010 12.062 794 2HB ASP 98 2HB ASP 98 -2.743 7.275 11.588 795 H MET 99 H MET 99 -3.783 11.418 12.999 796 HA MET 99 HA MET 99 -0.858 11.644 13.591 797 1HB MET 99 1HB MET 99 -1.095 14.044 13.208 798 2HB MET 99 2HB MET 99 -1.412 13.095 11.755 799 1HG MET 99 1HG MET 99 -3.685 14.092 13.503 800 2HG MET 99 2HG MET 99 -2.926 15.113 12.291 801 1HE MET 99 1HE MET 99 -6.032 14.326 12.532 802 2HE MET 99 2HE MET 99 -5.432 15.479 11.313 803 3HE MET 99 3HE MET 99 -6.460 14.113 10.819 Start of MODEL 16 1 1H MET 0 1H MET 0 0.193 -20.519 -6.204 2 2H MET 0 2H MET 0 -1.199 -19.660 -5.993 3 3H MET 0 3H MET 0 -0.186 -19.894 -4.718 4 HA MET 0 HA MET 0 -1.649 -21.966 -6.160 5 1HB MET 0 1HB MET 0 0.068 -22.164 -3.647 6 2HB MET 0 2HB MET 0 -0.985 -23.447 -4.274 7 1HG MET 0 1HG MET 0 0.285 -23.386 -6.423 8 2HG MET 0 2HG MET 0 1.404 -22.217 -5.698 9 1HE MET 0 1HE MET 0 3.364 -23.747 -6.455 10 2HE MET 0 2HE MET 0 3.546 -25.453 -5.985 11 3HE MET 0 3HE MET 0 2.248 -24.973 -7.103 12 H ILE 1 H ILE 1 -1.814 -22.026 -2.694 13 HA ILE 1 HA ILE 1 -4.601 -21.670 -2.850 14 HB ILE 1 HB ILE 1 -3.276 -23.070 -1.206 15 1HG1 ILE 1 1HG1 ILE 1 -4.877 -22.807 0.653 16 2HG1 ILE 1 2HG1 ILE 1 -5.534 -21.348 -0.091 17 1HG2 ILE 1 1HG2 ILE 1 -1.786 -21.237 -0.480 18 2HG2 ILE 1 2HG2 ILE 1 -3.156 -20.463 0.357 19 3HG2 ILE 1 3HG2 ILE 1 -2.583 -22.066 0.870 20 1HD1 ILE 1 1HD1 ILE 1 -6.334 -22.669 -2.013 21 2HD1 ILE 1 2HD1 ILE 1 -5.470 -24.104 -1.418 22 3HD1 ILE 1 3HD1 ILE 1 -6.856 -23.453 -0.521 23 H GLN 2 H GLN 2 -5.953 -20.088 -1.846 24 HA GLN 2 HA GLN 2 -5.107 -17.495 -2.812 25 1HB GLN 2 1HB GLN 2 -7.794 -18.391 -1.698 26 2HB GLN 2 2HB GLN 2 -7.447 -16.919 -2.590 27 1HG GLN 2 1HG GLN 2 -8.424 -18.368 -4.175 28 2HG GLN 2 2HG GLN 2 -6.695 -18.390 -4.551 29 1HE2 GLN 2 2HE2 GLN 2 -8.936 -20.177 -2.317 30 2HE2 GLN 2 1HE2 GLN 2 -8.366 -21.766 -2.782 31 H ARG 3 H ARG 3 -3.483 -17.073 -1.030 32 HA ARG 3 HA ARG 3 -4.560 -16.448 1.621 33 1HB ARG 3 1HB ARG 3 -1.871 -15.922 0.356 34 2HB ARG 3 2HB ARG 3 -2.334 -15.474 2.006 35 1HG ARG 3 1HG ARG 3 -2.892 -17.945 2.401 36 2HG ARG 3 2HG ARG 3 -2.071 -18.270 0.852 37 1HD ARG 3 1HD ARG 3 -0.073 -17.076 1.704 38 2HD ARG 3 2HD ARG 3 -0.873 -16.828 3.265 39 HE ARG 3 HE ARG 3 -1.057 -19.498 3.080 40 1HH1 ARG 3 1HH2 ARG 3 1.695 -17.314 2.602 41 2HH1 ARG 3 2HH2 ARG 3 2.891 -18.532 2.953 42 1HH2 ARG 3 1HH1 ARG 3 0.525 -21.040 3.750 43 2HH2 ARG 3 2HH1 ARG 3 2.216 -20.612 3.749 44 H THR 4 H THR 4 -5.928 -14.778 1.795 45 HA THR 4 HA THR 4 -6.011 -12.465 0.199 46 HB THR 4 HB THR 4 -6.942 -12.903 3.069 47 HG1 THR 4 HG1 THR 4 -8.856 -13.547 2.050 48 1HG2 THR 4 1HG2 THR 4 -8.668 -11.227 2.561 49 2HG2 THR 4 2HG2 THR 4 -7.060 -10.504 2.402 50 3HG2 THR 4 3HG2 THR 4 -7.979 -10.967 0.949 51 HA PRO 5 HA PRO 5 -2.405 -10.435 2.004 52 1HB PRO 5 1HB PRO 5 -2.712 -7.893 1.009 53 2HB PRO 5 2HB PRO 5 -2.255 -9.275 -0.028 54 1HG PRO 5 1HG PRO 5 -5.017 -8.124 0.419 55 2HG PRO 5 2HG PRO 5 -4.215 -8.469 -1.140 56 1HD PRO 5 1HD PRO 5 -5.939 -10.233 -0.018 57 2HD PRO 5 2HD PRO 5 -4.453 -10.832 -0.820 58 H LYS 6 H LYS 6 -1.912 -9.360 3.853 59 HA LYS 6 HA LYS 6 -4.040 -8.090 5.472 60 1HB LYS 6 1HB LYS 6 -2.506 -9.823 6.440 61 2HB LYS 6 2HB LYS 6 -1.152 -8.712 6.172 62 1HG LYS 6 1HG LYS 6 -2.518 -6.975 7.485 63 2HG LYS 6 2HG LYS 6 -3.627 -8.295 7.889 64 1HD LYS 6 1HD LYS 6 -1.709 -9.545 8.929 65 2HD LYS 6 2HD LYS 6 -0.632 -8.207 8.500 66 1HE LYS 6 1HE LYS 6 -1.220 -7.970 10.825 67 2HE LYS 6 2HE LYS 6 -2.008 -6.666 9.922 68 1HZ LYS 6 1HZ LYS 6 -4.033 -7.936 9.989 69 2HZ LYS 6 2HZ LYS 6 -3.286 -9.168 10.791 70 3HZ LYS 6 3HZ LYS 6 -3.462 -7.699 11.515 71 H ILE 7 H ILE 7 -4.386 -6.096 4.604 72 HA ILE 7 HA ILE 7 -2.161 -4.388 3.738 73 HB ILE 7 HB ILE 7 -5.043 -3.516 3.818 74 1HG1 ILE 7 1HG1 ILE 7 -4.896 -4.262 1.271 75 2HG1 ILE 7 2HG1 ILE 7 -3.898 -5.562 1.924 76 1HG2 ILE 7 1HG2 ILE 7 -3.123 -1.963 3.319 77 2HG2 ILE 7 2HG2 ILE 7 -2.773 -2.937 1.884 78 3HG2 ILE 7 3HG2 ILE 7 -4.320 -2.081 2.022 79 1HD1 ILE 7 1HD1 ILE 7 -5.855 -6.165 3.433 80 2HD1 ILE 7 2HD1 ILE 7 -6.753 -4.802 2.748 81 3HD1 ILE 7 3HD1 ILE 7 -6.294 -6.171 1.721 82 H GLN 8 H GLN 8 -1.131 -3.114 5.283 83 HA GLN 8 HA GLN 8 -2.832 -1.731 7.317 84 1HB GLN 8 1HB GLN 8 -0.340 -1.567 8.313 85 2HB GLN 8 2HB GLN 8 -1.500 -2.817 8.782 86 1HG GLN 8 1HG GLN 8 -0.524 -4.436 7.308 87 2HG GLN 8 2HG GLN 8 0.507 -3.226 6.550 88 1HE2 GLN 8 2HE2 GLN 8 0.756 -5.789 8.389 89 2HE2 GLN 8 1HE2 GLN 8 2.091 -5.330 9.434 90 H VAL 9 H VAL 9 -3.247 0.166 6.304 91 HA VAL 9 HA VAL 9 -1.044 1.539 4.863 92 HB VAL 9 HB VAL 9 -3.961 2.341 4.875 93 1HG1 VAL 9 1HG1 VAL 9 -2.251 4.042 4.217 94 2HG1 VAL 9 2HG1 VAL 9 -1.563 2.907 3.062 95 3HG1 VAL 9 3HG1 VAL 9 -3.209 3.529 2.816 96 1HG2 VAL 9 1HG2 VAL 9 -2.516 0.466 2.972 97 2HG2 VAL 9 2HG2 VAL 9 -3.947 0.109 3.974 98 3HG2 VAL 9 3HG2 VAL 9 -4.076 1.255 2.638 99 H TYR 10 H TYR 10 0.149 2.451 6.454 100 HA TYR 10 HA TYR 10 -1.220 4.266 8.430 101 1HB TYR 10 1HB TYR 10 0.504 3.762 9.969 102 2HB TYR 10 2HB TYR 10 -0.321 2.308 9.435 103 HD1 TYR 10 HD1 TYR 10 2.874 4.149 9.456 104 HD2 TYR 10 HD2 TYR 10 0.831 0.617 8.065 105 HE1 TYR 10 HE1 TYR 10 5.054 3.066 8.977 106 HE2 TYR 10 HE2 TYR 10 3.007 -0.499 7.702 107 HH TYR 10 HH TYR 10 5.301 -0.284 7.789 108 H SER 11 H SER 11 0.256 6.019 9.275 109 HA SER 11 HA SER 11 2.177 7.060 7.248 110 1HB SER 11 1HB SER 11 0.393 8.588 7.266 111 2HB SER 11 2HB SER 11 0.261 8.569 9.044 112 HG SER 11 HG SER 11 2.505 9.487 7.561 113 H ARG 12 H ARG 12 4.190 7.571 7.998 114 HA ARG 12 HA ARG 12 5.009 6.702 10.685 115 1HB ARG 12 1HB ARG 12 6.465 7.944 8.320 116 2HB ARG 12 2HB ARG 12 7.244 7.579 9.865 117 1HG ARG 12 1HG ARG 12 6.803 5.216 9.616 118 2HG ARG 12 2HG ARG 12 5.863 5.488 8.129 119 1HD ARG 12 1HD ARG 12 7.792 6.328 6.955 120 2HD ARG 12 2HD ARG 12 8.772 6.356 8.438 121 HE ARG 12 HE ARG 12 8.004 3.730 8.219 122 1HH1 ARG 12 1HH2 ARG 12 9.701 5.985 6.051 123 2HH1 ARG 12 2HH2 ARG 12 10.690 4.743 5.332 124 1HH2 ARG 12 1HH1 ARG 12 9.331 2.121 7.288 125 2HH2 ARG 12 2HH1 ARG 12 10.471 2.531 6.033 126 H HIS 13 H HIS 13 5.384 9.719 8.791 127 HA HIS 13 HA HIS 13 6.161 11.245 11.096 128 1HB HIS 13 1HB HIS 13 5.657 11.865 8.173 129 2HB HIS 13 2HB HIS 13 6.168 13.099 9.324 130 HD2 HIS 13 HD2 HIS 13 8.608 13.469 8.142 131 HE1 HIS 13 HE1 HIS 13 10.035 9.524 8.704 132 HE2 HIS 13 HE2 HIS 13 10.687 11.885 7.971 133 HA PRO 14 HA PRO 14 2.240 12.801 12.331 134 1HB PRO 14 1HB PRO 14 2.720 15.301 13.294 135 2HB PRO 14 2HB PRO 14 3.378 13.822 14.049 136 1HG PRO 14 1HG PRO 14 4.793 15.680 12.124 137 2HG PRO 14 2HG PRO 14 5.396 15.047 13.684 138 1HD PRO 14 1HD PRO 14 6.045 13.914 11.303 139 2HD PRO 14 2HD PRO 14 5.806 12.906 12.749 140 H ALA 15 H ALA 15 0.753 13.038 10.739 141 HA ALA 15 HA ALA 15 1.178 14.237 8.283 142 1HB ALA 15 1HB ALA 15 -1.478 13.664 9.649 143 2HB ALA 15 2HB ALA 15 -1.220 13.905 7.906 144 3HB ALA 15 3HB ALA 15 -0.494 12.507 8.727 145 H GLU 16 H GLU 16 0.946 16.233 7.403 146 HA GLU 16 HA GLU 16 -0.618 18.352 8.670 147 1HB GLU 16 1HB GLU 16 1.430 18.484 9.974 148 2HB GLU 16 2HB GLU 16 2.420 18.420 8.510 149 1HG GLU 16 1HG GLU 16 1.529 20.628 7.799 150 2HG GLU 16 2HG GLU 16 0.446 20.643 9.203 151 H ASN 17 H ASN 17 -1.340 19.747 7.162 152 HA ASN 17 HA ASN 17 -1.155 18.944 4.430 153 1HB ASN 17 1HB ASN 17 -2.589 21.253 5.800 154 2HB ASN 17 2HB ASN 17 -2.802 20.758 4.119 155 1HD2 ASN 17 2HD2 ASN 17 -5.086 20.493 4.620 156 2HD2 ASN 17 1HD2 ASN 17 -5.631 19.032 5.412 157 H GLY 18 H GLY 18 1.020 19.273 3.854 158 1HA GLY 18 1HA GLY 18 1.772 20.963 2.057 159 2HA GLY 18 2HA GLY 18 1.894 22.100 3.410 160 H LYS 19 H LYS 19 2.763 20.259 5.398 161 HA LYS 19 HA LYS 19 5.613 20.154 4.797 162 1HB LYS 19 1HB LYS 19 4.755 20.919 6.907 163 2HB LYS 19 2HB LYS 19 3.996 19.328 7.136 164 1HG LYS 19 1HG LYS 19 6.001 19.638 8.527 165 2HG LYS 19 2HG LYS 19 6.175 18.265 7.442 166 1HD LYS 19 1HD LYS 19 7.260 20.926 6.511 167 2HD LYS 19 2HD LYS 19 8.091 20.121 7.845 168 1HE LYS 19 1HE LYS 19 8.444 18.096 6.558 169 2HE LYS 19 2HE LYS 19 7.509 18.732 5.201 170 1HZ LYS 19 1HZ LYS 19 10.046 19.814 6.184 171 2HZ LYS 19 2HZ LYS 19 9.791 18.970 4.786 172 3HZ LYS 19 3HZ LYS 19 9.137 20.465 4.970 173 H SER 20 H SER 20 5.505 18.799 3.246 174 HA SER 20 HA SER 20 4.811 16.340 2.575 175 1HB SER 20 1HB SER 20 7.089 15.815 1.691 176 2HB SER 20 2HB SER 20 6.388 17.371 1.241 177 HG SER 20 HG SER 20 8.235 16.939 3.364 178 H ASN 21 H ASN 21 4.793 14.381 3.351 179 HA ASN 21 HA ASN 21 5.894 13.932 6.088 180 1HB ASN 21 1HB ASN 21 3.443 14.612 5.517 181 2HB ASN 21 2HB ASN 21 3.258 12.957 4.981 182 1HD2 ASN 21 2HD2 ASN 21 4.216 15.078 7.685 183 2HD2 ASN 21 1HD2 ASN 21 3.754 13.998 8.977 184 H PHE 22 H PHE 22 4.438 11.177 5.951 185 HA PHE 22 HA PHE 22 5.847 9.764 3.858 186 1HB PHE 22 1HB PHE 22 7.043 9.879 6.540 187 2HB PHE 22 2HB PHE 22 6.682 8.231 6.040 188 HD1 PHE 22 HD1 PHE 22 7.345 7.494 3.643 189 HD2 PHE 22 HD2 PHE 22 9.121 10.805 5.759 190 HE1 PHE 22 HE1 PHE 22 9.302 7.424 2.120 191 HE2 PHE 22 HE2 PHE 22 11.106 10.682 4.283 192 HZ PHE 22 HZ PHE 22 11.117 9.110 2.363 193 H LEU 23 H LEU 23 4.370 8.516 3.127 194 HA LEU 23 HA LEU 23 2.308 7.212 4.810 195 1HB LEU 23 1HB LEU 23 1.508 8.622 3.001 196 2HB LEU 23 2HB LEU 23 2.595 7.834 1.859 197 HG LEU 23 HG LEU 23 1.186 5.745 2.177 198 1HD1 LEU 23 1HD1 LEU 23 0.271 6.306 4.444 199 2HD1 LEU 23 2HD1 LEU 23 -0.546 7.716 3.751 200 3HD1 LEU 23 3HD1 LEU 23 -1.018 6.071 3.261 201 1HD2 LEU 23 1HD2 LEU 23 -0.240 8.325 1.378 202 2HD2 LEU 23 2HD2 LEU 23 0.828 7.383 0.324 203 3HD2 LEU 23 3HD2 LEU 23 -0.710 6.681 0.873 204 H ASN 24 H ASN 24 2.119 4.992 4.796 205 HA ASN 24 HA ASN 24 4.085 3.331 3.268 206 1HB ASN 24 1HB ASN 24 3.371 3.326 6.209 207 2HB ASN 24 2HB ASN 24 4.040 1.915 5.379 208 1HD2 ASN 24 2HD2 ASN 24 5.981 1.774 6.474 209 2HD2 ASN 24 1HD2 ASN 24 7.243 2.970 6.292 210 H CYS 25 H CYS 25 2.576 2.508 1.794 211 HA CYS 25 HA CYS 25 0.175 1.108 2.816 212 1HB CYS 25 1HB CYS 25 1.407 1.117 0.038 213 2HB CYS 25 2HB CYS 25 -0.094 0.339 0.494 214 H TYR 26 H TYR 26 1.310 -0.286 4.325 215 HA TYR 26 HA TYR 26 3.363 -2.154 3.336 216 1HB TYR 26 1HB TYR 26 3.483 -1.083 5.504 217 2HB TYR 26 2HB TYR 26 1.985 -1.785 6.021 218 HD1 TYR 26 HD1 TYR 26 2.126 -4.660 5.529 219 HD2 TYR 26 HD2 TYR 26 5.215 -1.918 6.771 220 HE1 TYR 26 HE1 TYR 26 3.238 -6.452 6.758 221 HE2 TYR 26 HE2 TYR 26 6.338 -3.746 7.984 222 HH TYR 26 HH TYR 26 5.043 -7.084 8.028 223 H VAL 27 H VAL 27 2.878 -4.236 2.571 224 HA VAL 27 HA VAL 27 0.209 -5.340 3.226 225 HB VAL 27 HB VAL 27 1.347 -5.702 0.425 226 1HG1 VAL 27 1HG1 VAL 27 -0.423 -7.237 1.351 227 2HG1 VAL 27 2HG1 VAL 27 -1.474 -5.828 1.587 228 3HG1 VAL 27 3HG1 VAL 27 -0.981 -6.304 -0.048 229 1HG2 VAL 27 1HG2 VAL 27 1.087 -3.346 0.511 230 2HG2 VAL 27 2HG2 VAL 27 -0.298 -4.047 -0.353 231 3HG2 VAL 27 3HG2 VAL 27 -0.498 -3.498 1.332 232 H SER 28 H SER 28 0.429 -7.456 3.963 233 HA SER 28 HA SER 28 2.518 -9.060 2.767 234 1HB SER 28 1HB SER 28 3.821 -9.477 4.701 235 2HB SER 28 2HB SER 28 3.742 -7.777 4.703 236 HG SER 28 HG SER 28 1.854 -8.031 6.139 237 H GLY 29 H GLY 29 2.718 -11.257 4.096 238 1HA GLY 29 1HA GLY 29 1.658 -13.076 5.046 239 2HA GLY 29 2HA GLY 29 0.112 -12.226 5.046 240 H PHE 30 H PHE 30 0.630 -11.541 2.060 241 HA PHE 30 HA PHE 30 -1.022 -13.672 1.092 242 1HB PHE 30 1HB PHE 30 -1.109 -12.369 -0.938 243 2HB PHE 30 2HB PHE 30 -1.359 -11.384 0.459 244 HD1 PHE 30 HD1 PHE 30 0.075 -9.423 0.931 245 HD2 PHE 30 HD2 PHE 30 1.040 -12.226 -2.210 246 HE1 PHE 30 HE1 PHE 30 1.783 -7.890 0.051 247 HE2 PHE 30 HE2 PHE 30 2.727 -10.660 -3.092 248 HZ PHE 30 HZ PHE 30 3.136 -8.538 -1.964 249 H HIS 31 H HIS 31 -0.588 -14.705 -1.064 250 HA HIS 31 HA HIS 31 1.967 -14.829 -2.275 251 1HB HIS 31 1HB HIS 31 2.813 -16.880 -1.884 252 2HB HIS 31 2HB HIS 31 2.298 -16.444 -0.270 253 HD2 HIS 31 HD2 HIS 31 0.768 -18.529 -3.279 254 HE1 HIS 31 HE1 HIS 31 0.371 -20.675 0.346 255 HE2 HIS 31 HE2 HIS 31 -0.091 -20.754 -2.167 256 HA PRO 32 HA PRO 32 2.585 -16.474 -4.145 257 1HB PRO 32 1HB PRO 32 2.557 -16.551 -6.850 258 2HB PRO 32 2HB PRO 32 1.774 -17.806 -5.867 259 1HG PRO 32 1HG PRO 32 0.450 -15.347 -7.043 260 2HG PRO 32 2HG PRO 32 -0.009 -17.054 -7.324 261 1HD PRO 32 1HD PRO 32 -1.206 -15.571 -5.376 262 2HD PRO 32 2HD PRO 32 -0.821 -17.287 -5.101 263 H SER 33 H SER 33 3.749 -15.143 -6.404 264 HA SER 33 HA SER 33 4.550 -12.831 -4.925 265 1HB SER 33 1HB SER 33 6.362 -12.818 -6.619 266 2HB SER 33 2HB SER 33 6.066 -14.472 -6.081 267 HG SER 33 HG SER 33 5.093 -13.266 -8.436 268 H ASP 34 H ASP 34 1.807 -12.655 -6.399 269 HA ASP 34 HA ASP 34 2.448 -10.560 -8.441 270 1HB ASP 34 1HB ASP 34 1.902 -12.737 -9.382 271 2HB ASP 34 2HB ASP 34 0.390 -12.788 -8.469 272 H ILE 35 H ILE 35 2.099 -8.934 -6.716 273 HA ILE 35 HA ILE 35 -0.785 -8.188 -6.756 274 HB ILE 35 HB ILE 35 -0.042 -8.816 -4.566 275 1HG1 ILE 35 1HG1 ILE 35 -0.484 -5.812 -4.588 276 2HG1 ILE 35 2HG1 ILE 35 -1.757 -6.982 -4.786 277 1HG2 ILE 35 1HG2 ILE 35 1.841 -6.489 -4.697 278 2HG2 ILE 35 2HG2 ILE 35 1.526 -7.536 -3.302 279 3HG2 ILE 35 3HG2 ILE 35 2.309 -8.225 -4.729 280 1HD1 ILE 35 1HD1 ILE 35 -0.885 -8.050 -2.563 281 2HD1 ILE 35 2HD1 ILE 35 -0.068 -6.489 -2.331 282 3HD1 ILE 35 3HD1 ILE 35 -1.826 -6.548 -2.491 283 H GLU 36 H GLU 36 -1.288 -6.057 -7.090 284 HA GLU 36 HA GLU 36 0.816 -4.222 -8.134 285 1HB GLU 36 1HB GLU 36 -2.160 -4.024 -8.660 286 2HB GLU 36 2HB GLU 36 -0.820 -3.154 -9.412 287 1HG GLU 36 1HG GLU 36 0.001 -5.502 -10.153 288 2HG GLU 36 2HG GLU 36 -1.607 -6.055 -9.722 289 H VAL 37 H VAL 37 1.137 -2.439 -6.830 290 HA VAL 37 HA VAL 37 -1.117 -1.340 -5.269 291 HB VAL 37 HB VAL 37 1.577 -1.812 -3.980 292 1HG1 VAL 37 1HG1 VAL 37 0.255 0.098 -3.063 293 2HG1 VAL 37 2HG1 VAL 37 -1.117 -1.003 -2.799 294 3HG1 VAL 37 3HG1 VAL 37 0.398 -1.228 -1.903 295 1HG2 VAL 37 1HG2 VAL 37 0.642 -3.990 -4.205 296 2HG2 VAL 37 2HG2 VAL 37 0.239 -3.491 -2.559 297 3HG2 VAL 37 3HG2 VAL 37 -1.003 -3.422 -3.796 298 H ASP 38 H ASP 38 -1.054 0.067 -7.154 299 HA ASP 38 HA ASP 38 1.088 2.100 -7.154 300 1HB ASP 38 1HB ASP 38 -0.378 3.285 -8.773 301 2HB ASP 38 2HB ASP 38 0.186 1.710 -9.330 302 H LEU 39 H LEU 39 1.049 3.770 -5.782 303 HA LEU 39 HA LEU 39 -1.177 4.121 -3.947 304 1HB LEU 39 1HB LEU 39 1.540 5.471 -4.233 305 2HB LEU 39 2HB LEU 39 0.305 5.882 -3.022 306 HG LEU 39 HG LEU 39 0.274 3.582 -2.230 307 1HD1 LEU 39 1HD1 LEU 39 2.534 3.133 -4.172 308 2HD1 LEU 39 2HD1 LEU 39 2.387 2.182 -2.677 309 3HD1 LEU 39 3HD1 LEU 39 1.081 2.153 -3.847 310 1HD2 LEU 39 1HD2 LEU 39 3.007 4.927 -2.112 311 2HD2 LEU 39 2HD2 LEU 39 1.601 5.328 -1.091 312 3HD2 LEU 39 3HD2 LEU 39 2.379 3.746 -0.941 313 H LEU 40 H LEU 40 -2.633 5.709 -3.997 314 HA LEU 40 HA LEU 40 -2.861 7.252 -6.528 315 1HB LEU 40 1HB LEU 40 -3.603 4.722 -6.431 316 2HB LEU 40 2HB LEU 40 -4.938 5.328 -5.472 317 HG LEU 40 HG LEU 40 -5.599 5.013 -7.748 318 1HD1 LEU 40 1HD1 LEU 40 -5.323 8.013 -7.299 319 2HD1 LEU 40 2HD1 LEU 40 -6.473 7.196 -8.367 320 3HD1 LEU 40 3HD1 LEU 40 -6.591 6.967 -6.610 321 1HD2 LEU 40 1HD2 LEU 40 -3.291 5.234 -8.719 322 2HD2 LEU 40 2HD2 LEU 40 -4.572 6.023 -9.660 323 3HD2 LEU 40 3HD2 LEU 40 -3.492 6.996 -8.657 324 H LYS 41 H LYS 41 -3.482 9.324 -5.904 325 HA LYS 41 HA LYS 41 -4.677 9.722 -3.283 326 1HB LYS 41 1HB LYS 41 -4.057 11.692 -5.474 327 2HB LYS 41 2HB LYS 41 -4.452 12.071 -3.778 328 1HG LYS 41 1HG LYS 41 -2.394 11.827 -3.120 329 2HG LYS 41 2HG LYS 41 -2.319 10.189 -3.731 330 1HD LYS 41 1HD LYS 41 -0.564 11.477 -4.737 331 2HD LYS 41 2HD LYS 41 -1.716 11.020 -5.976 332 1HE LYS 41 1HE LYS 41 -0.925 13.302 -6.289 333 2HE LYS 41 2HE LYS 41 -2.665 13.314 -5.970 334 1HZ LYS 41 1HZ LYS 41 -0.579 13.904 -3.985 335 2HZ LYS 41 2HZ LYS 41 -1.523 15.009 -4.773 336 3HZ LYS 41 3HZ LYS 41 -2.205 13.934 -3.735 337 H ASN 42 H ASN 42 -6.105 12.112 -4.739 338 HA ASN 42 HA ASN 42 -8.789 11.110 -4.652 339 1HB ASN 42 1HB ASN 42 -9.400 13.312 -5.366 340 2HB ASN 42 2HB ASN 42 -7.994 13.554 -4.325 341 1HD2 ASN 42 2HD2 ASN 42 -5.797 13.786 -5.515 342 2HD2 ASN 42 1HD2 ASN 42 -5.816 14.454 -7.130 343 H GLY 43 H GLY 43 -6.424 11.585 -7.267 344 1HA GLY 43 1HA GLY 43 -7.482 9.519 -8.885 345 2HA GLY 43 2HA GLY 43 -8.127 11.068 -9.464 346 H GLU 44 H GLU 44 -4.926 10.498 -7.965 347 HA GLU 44 HA GLU 44 -3.580 10.738 -10.600 348 1HB GLU 44 1HB GLU 44 -3.691 12.989 -9.635 349 2HB GLU 44 2HB GLU 44 -2.956 12.406 -8.131 350 1HG GLU 44 1HG GLU 44 -0.879 11.865 -9.300 351 2HG GLU 44 2HG GLU 44 -1.631 12.203 -10.870 352 H ARG 45 H ARG 45 -1.890 9.413 -10.810 353 HA ARG 45 HA ARG 45 -1.279 7.430 -8.738 354 1HB ARG 45 1HB ARG 45 -0.091 7.916 -11.498 355 2HB ARG 45 2HB ARG 45 0.184 6.487 -10.489 356 1HG ARG 45 1HG ARG 45 -2.150 5.809 -10.712 357 2HG ARG 45 2HG ARG 45 -2.544 7.307 -11.578 358 1HD ARG 45 1HD ARG 45 -0.754 6.593 -13.303 359 2HD ARG 45 2HD ARG 45 -0.734 5.034 -12.475 360 HE ARG 45 HE ARG 45 -2.717 4.474 -13.469 361 1HH1 ARG 45 1HH2 ARG 45 -2.385 8.007 -13.691 362 2HH1 ARG 45 2HH2 ARG 45 -3.655 8.177 -14.875 363 1HH2 ARG 45 1HH1 ARG 45 -4.352 4.714 -15.050 364 2HH2 ARG 45 2HH1 ARG 45 -4.782 6.297 -15.645 365 H ILE 46 H ILE 46 0.674 7.319 -7.541 366 HA ILE 46 HA ILE 46 2.353 9.708 -7.525 367 HB ILE 46 HB ILE 46 1.890 7.290 -5.750 368 1HG1 ILE 46 1HG1 ILE 46 1.271 10.275 -5.484 369 2HG1 ILE 46 2HG1 ILE 46 0.075 9.033 -5.870 370 1HG2 ILE 46 1HG2 ILE 46 4.240 8.042 -5.646 371 2HG2 ILE 46 2HG2 ILE 46 3.673 9.699 -5.315 372 3HG2 ILE 46 3HG2 ILE 46 3.332 8.364 -4.165 373 1HD1 ILE 46 1HD1 ILE 46 1.514 9.391 -3.228 374 2HD1 ILE 46 2HD1 ILE 46 -0.212 9.525 -3.622 375 3HD1 ILE 46 3HD1 ILE 46 0.553 7.955 -3.635 376 H GLU 47 H GLU 47 4.174 9.699 -8.679 377 HA GLU 47 HA GLU 47 5.228 7.332 -9.996 378 1HB GLU 47 1HB GLU 47 6.360 10.152 -9.687 379 2HB GLU 47 2HB GLU 47 7.039 8.871 -10.703 380 1HG GLU 47 1HG GLU 47 4.866 8.783 -11.962 381 2HG GLU 47 2HG GLU 47 4.323 10.208 -11.060 382 H LYS 48 H LYS 48 6.276 9.463 -7.318 383 HA LYS 48 HA LYS 48 8.725 7.965 -6.889 384 1HB LYS 48 1HB LYS 48 7.522 10.330 -5.405 385 2HB LYS 48 2HB LYS 48 9.166 9.684 -5.209 386 1HG LYS 48 1HG LYS 48 9.595 10.114 -7.640 387 2HG LYS 48 2HG LYS 48 7.990 10.857 -7.776 388 1HD LYS 48 1HD LYS 48 8.618 12.547 -6.083 389 2HD LYS 48 2HD LYS 48 10.240 11.825 -5.973 390 1HE LYS 48 1HE LYS 48 10.613 12.290 -8.386 391 2HE LYS 48 2HE LYS 48 8.991 12.998 -8.508 392 1HZ LYS 48 1HZ LYS 48 11.166 14.006 -6.815 393 2HZ LYS 48 2HZ LYS 48 10.667 14.660 -8.244 394 3HZ LYS 48 3HZ LYS 48 9.658 14.661 -6.941 395 H VAL 49 H VAL 49 7.371 5.988 -6.576 396 HA VAL 49 HA VAL 49 6.681 5.492 -3.714 397 HB VAL 49 HB VAL 49 6.206 3.883 -6.256 398 1HG1 VAL 49 1HG1 VAL 49 6.580 2.364 -4.333 399 2HG1 VAL 49 2HG1 VAL 49 5.390 3.273 -3.378 400 3HG1 VAL 49 3HG1 VAL 49 4.885 2.368 -4.820 401 1HG2 VAL 49 1HG2 VAL 49 4.735 5.858 -6.011 402 2HG2 VAL 49 2HG2 VAL 49 3.839 4.349 -5.856 403 3HG2 VAL 49 3HG2 VAL 49 4.238 5.295 -4.405 404 H GLU 50 H GLU 50 8.507 4.862 -2.577 405 HA GLU 50 HA GLU 50 10.626 3.292 -3.969 406 1HB GLU 50 1HB GLU 50 11.204 5.270 -2.454 407 2HB GLU 50 2HB GLU 50 10.681 4.249 -1.107 408 1HG GLU 50 1HG GLU 50 12.331 2.522 -1.795 409 2HG GLU 50 2HG GLU 50 12.862 3.598 -3.101 410 H HIS 51 H HIS 51 11.141 1.150 -3.029 411 HA HIS 51 HA HIS 51 8.857 -0.057 -1.552 412 1HB HIS 51 1HB HIS 51 9.037 -2.004 -3.060 413 2HB HIS 51 2HB HIS 51 8.507 -0.526 -3.855 414 HD2 HIS 51 HD2 HIS 51 12.126 -2.166 -3.446 415 HE1 HIS 51 HE1 HIS 51 11.581 -0.806 -7.409 416 HE2 HIS 51 HE2 HIS 51 13.212 -1.952 -5.809 417 H SER 52 H SER 52 9.310 -1.830 -0.290 418 HA SER 52 HA SER 52 12.094 -2.186 0.607 419 1HB SER 52 1HB SER 52 10.220 -2.114 2.222 420 2HB SER 52 2HB SER 52 9.561 -3.604 1.503 421 HG SER 52 HG SER 52 11.673 -4.528 2.002 422 H ASP 53 H ASP 53 10.351 -3.304 -2.009 423 HA ASP 53 HA ASP 53 10.602 -4.879 -3.511 424 1HB ASP 53 1HB ASP 53 13.094 -4.505 -2.976 425 2HB ASP 53 2HB ASP 53 13.019 -6.036 -2.092 426 H LEU 54 H LEU 54 10.549 -7.332 -3.873 427 HA LEU 54 HA LEU 54 8.492 -8.287 -2.055 428 1HB LEU 54 1HB LEU 54 8.066 -8.277 -4.367 429 2HB LEU 54 2HB LEU 54 9.442 -9.345 -4.690 430 HG LEU 54 HG LEU 54 8.406 -11.183 -3.572 431 1HD1 LEU 54 1HD1 LEU 54 6.406 -9.174 -2.456 432 2HD1 LEU 54 2HD1 LEU 54 5.997 -10.874 -2.593 433 3HD1 LEU 54 3HD1 LEU 54 7.378 -10.389 -1.604 434 1HD2 LEU 54 1HD2 LEU 54 6.191 -9.716 -5.026 435 2HD2 LEU 54 2HD2 LEU 54 7.533 -10.597 -5.819 436 3HD2 LEU 54 3HD2 LEU 54 6.372 -11.471 -4.787 437 H SER 55 H SER 55 9.034 -9.353 -0.299 438 HA SER 55 HA SER 55 11.101 -11.497 -0.345 439 1HB SER 55 1HB SER 55 11.996 -9.497 0.857 440 2HB SER 55 2HB SER 55 10.557 -9.490 1.894 441 HG SER 55 HG SER 55 12.454 -11.590 1.670 442 H PHE 56 H PHE 56 10.235 -13.399 0.316 443 HA PHE 56 HA PHE 56 7.689 -13.475 1.818 444 1HB PHE 56 1HB PHE 56 7.738 -15.822 1.414 445 2HB PHE 56 2HB PHE 56 7.914 -14.944 -0.095 446 HD1 PHE 56 HD1 PHE 56 9.260 -17.440 2.082 447 HD2 PHE 56 HD2 PHE 56 10.204 -14.839 -1.203 448 HE1 PHE 56 HE1 PHE 56 11.389 -18.694 1.714 449 HE2 PHE 56 HE2 PHE 56 12.367 -16.047 -1.537 450 HZ PHE 56 HZ PHE 56 12.931 -17.992 -0.102 451 H SER 57 H SER 57 10.406 -12.519 2.947 452 HA SER 57 HA SER 57 12.025 -12.961 4.420 453 1HB SER 57 1HB SER 57 10.212 -13.264 6.118 454 2HB SER 57 2HB SER 57 10.141 -14.979 5.727 455 HG SER 57 HG SER 57 11.546 -15.040 7.269 456 H LYS 58 H LYS 58 12.841 -15.594 5.406 457 HA LYS 58 HA LYS 58 13.191 -17.205 2.912 458 1HB LYS 58 1HB LYS 58 14.588 -17.219 5.576 459 2HB LYS 58 2HB LYS 58 14.885 -18.380 4.264 460 1HG LYS 58 1HG LYS 58 15.409 -16.562 2.701 461 2HG LYS 58 2HG LYS 58 15.120 -15.364 3.972 462 1HD LYS 58 1HD LYS 58 16.977 -16.334 5.320 463 2HD LYS 58 2HD LYS 58 17.232 -17.561 4.070 464 1HE LYS 58 1HE LYS 58 18.887 -15.816 3.777 465 2HE LYS 58 2HE LYS 58 17.752 -15.771 2.418 466 1HZ LYS 58 1HZ LYS 58 16.637 -13.943 3.521 467 2HZ LYS 58 2HZ LYS 58 17.724 -13.987 4.757 468 3HZ LYS 58 3HZ LYS 58 18.219 -13.597 3.234 469 H ASP 59 H ASP 59 10.669 -16.937 4.721 470 HA ASP 59 HA ASP 59 10.466 -19.643 5.782 471 1HB ASP 59 1HB ASP 59 8.731 -17.155 6.018 472 2HB ASP 59 2HB ASP 59 8.314 -18.718 6.734 473 H TRP 60 H TRP 60 7.574 -18.096 4.660 474 HA TRP 60 HA TRP 60 7.232 -19.683 2.232 475 1HB TRP 60 1HB TRP 60 5.333 -20.985 3.363 476 2HB TRP 60 2HB TRP 60 6.997 -21.488 3.598 477 HD1 TRP 60 HD1 TRP 60 7.828 -21.763 5.932 478 HE1 TRP 60 HE1 TRP 60 6.970 -21.217 8.336 479 HE3 TRP 60 HE3 TRP 60 3.818 -18.933 4.706 480 HZ2 TRP 60 HZ2 TRP 60 4.818 -19.723 9.510 481 HZ3 TRP 60 HZ3 TRP 60 2.376 -17.904 6.462 482 HH2 TRP 60 HH2 TRP 60 2.868 -18.309 8.865 483 H SER 61 H SER 61 6.676 -16.871 3.778 484 HA SER 61 HA SER 61 3.839 -16.473 3.181 485 1HB SER 61 1HB SER 61 4.227 -14.303 4.208 486 2HB SER 61 2HB SER 61 4.935 -15.577 5.202 487 HG SER 61 HG SER 61 6.973 -15.080 4.264 488 H PHE 62 H PHE 62 4.311 -13.646 2.337 489 HA PHE 62 HA PHE 62 6.226 -13.398 0.401 490 1HB PHE 62 1HB PHE 62 3.986 -14.699 -0.739 491 2HB PHE 62 2HB PHE 62 3.828 -13.036 -1.274 492 HD1 PHE 62 HD1 PHE 62 4.284 -15.549 -2.910 493 HD2 PHE 62 HD2 PHE 62 7.016 -12.578 -1.405 494 HE1 PHE 62 HE1 PHE 62 6.012 -16.407 -4.380 495 HE2 PHE 62 HE2 PHE 62 8.738 -13.387 -2.874 496 HZ PHE 62 HZ PHE 62 8.247 -15.258 -4.492 497 H TYR 63 H TYR 63 6.572 -11.076 0.336 498 HA TYR 63 HA TYR 63 4.258 -9.287 0.581 499 1HB TYR 63 1HB TYR 63 4.743 -8.491 2.850 500 2HB TYR 63 2HB TYR 63 4.315 -10.208 2.816 501 HD1 TYR 63 HD1 TYR 63 6.979 -7.802 3.421 502 HD2 TYR 63 HD2 TYR 63 5.798 -11.939 3.555 503 HE1 TYR 63 HE1 TYR 63 8.938 -8.278 4.772 504 HE2 TYR 63 HE2 TYR 63 7.732 -12.432 4.998 505 HH TYR 63 HH TYR 63 10.204 -9.955 5.837 506 H LEU 64 H LEU 64 4.988 -7.036 1.480 507 HA LEU 64 HA LEU 64 7.649 -6.147 1.054 508 1HB LEU 64 1HB LEU 64 7.390 -5.030 -1.085 509 2HB LEU 64 2HB LEU 64 7.164 -6.744 -1.262 510 HG LEU 64 HG LEU 64 5.294 -4.509 -1.631 511 1HD1 LEU 64 1HD1 LEU 64 6.265 -5.547 -3.589 512 2HD1 LEU 64 2HD1 LEU 64 5.873 -7.171 -3.008 513 3HD1 LEU 64 3HD1 LEU 64 4.589 -6.137 -3.559 514 1HD2 LEU 64 1HD2 LEU 64 4.187 -7.177 -0.770 515 2HD2 LEU 64 2HD2 LEU 64 3.802 -5.566 -0.127 516 3HD2 LEU 64 3HD2 LEU 64 3.274 -6.033 -1.733 517 H LEU 65 H LEU 65 7.581 -3.614 0.765 518 HA LEU 65 HA LEU 65 5.210 -2.438 2.084 519 1HB LEU 65 1HB LEU 65 7.416 -3.092 3.454 520 2HB LEU 65 2HB LEU 65 8.064 -1.640 2.682 521 HG LEU 65 HG LEU 65 5.609 -1.854 4.452 522 1HD1 LEU 65 1HD1 LEU 65 7.730 -2.164 5.601 523 2HD1 LEU 65 2HD1 LEU 65 8.410 -0.724 4.824 524 3HD1 LEU 65 3HD1 LEU 65 7.096 -0.553 6.012 525 1HD2 LEU 65 1HD2 LEU 65 6.731 0.485 2.907 526 2HD2 LEU 65 2HD2 LEU 65 5.044 -0.061 3.066 527 3HD2 LEU 65 3HD2 LEU 65 5.841 0.722 4.426 528 H TYR 66 H TYR 66 4.620 -0.521 1.091 529 HA TYR 66 HA TYR 66 6.434 0.555 -1.028 530 1HB TYR 66 1HB TYR 66 3.398 0.374 -1.095 531 2HB TYR 66 2HB TYR 66 4.472 0.824 -2.412 532 HD1 TYR 66 HD1 TYR 66 6.188 -1.165 -3.169 533 HD2 TYR 66 HD2 TYR 66 2.704 -1.921 -0.750 534 HE1 TYR 66 HE1 TYR 66 5.728 -3.297 -4.377 535 HE2 TYR 66 HE2 TYR 66 2.315 -4.007 -1.975 536 HH TYR 66 HH TYR 66 3.824 -4.382 -5.288 537 H TYR 67 H TYR 67 7.184 2.319 0.039 538 HA TYR 67 HA TYR 67 5.224 4.144 1.276 539 1HB TYR 67 1HB TYR 67 7.422 5.109 2.292 540 2HB TYR 67 2HB TYR 67 6.491 3.779 2.934 541 HD1 TYR 67 HD1 TYR 67 7.956 2.358 4.025 542 HD2 TYR 67 HD2 TYR 67 8.980 3.828 0.136 543 HE1 TYR 67 HE1 TYR 67 9.895 0.798 3.948 544 HE2 TYR 67 HE2 TYR 67 10.861 2.200 0.005 545 HH TYR 67 HH TYR 67 11.561 -0.113 2.644 546 H THR 68 H THR 68 5.141 6.188 0.902 547 HA THR 68 HA THR 68 6.876 7.531 -1.150 548 HB THR 68 HB THR 68 4.875 6.747 -2.145 549 HG1 THR 68 HG1 THR 68 5.858 8.607 -2.882 550 1HG2 THR 68 1HG2 THR 68 2.700 7.689 -1.671 551 2HG2 THR 68 2HG2 THR 68 3.304 6.923 -0.192 552 3HG2 THR 68 3HG2 THR 68 3.347 8.696 -0.366 553 H GLU 69 H GLU 69 7.020 9.917 -0.872 554 HA GLU 69 HA GLU 69 6.552 10.921 1.857 555 1HB GLU 69 1HB GLU 69 7.945 12.057 -0.555 556 2HB GLU 69 2HB GLU 69 7.771 12.917 0.995 557 1HG GLU 69 1HG GLU 69 8.896 11.112 2.151 558 2HG GLU 69 2HG GLU 69 9.158 10.234 0.629 559 H PHE 70 H PHE 70 4.153 10.666 1.558 560 HA PHE 70 HA PHE 70 2.765 12.254 -0.368 561 1HB PHE 70 1HB PHE 70 0.796 11.587 0.651 562 2HB PHE 70 2HB PHE 70 1.845 10.210 0.936 563 HD1 PHE 70 HD1 PHE 70 -0.486 12.599 2.363 564 HD2 PHE 70 HD2 PHE 70 3.087 10.396 3.296 565 HE1 PHE 70 HE1 PHE 70 -0.767 13.039 4.772 566 HE2 PHE 70 HE2 PHE 70 2.360 10.272 5.686 567 HZ PHE 70 HZ PHE 70 0.488 11.668 6.434 568 H THR 71 H THR 71 1.960 14.234 -0.276 569 HA THR 71 HA THR 71 2.188 15.890 2.195 570 HB THR 71 HB THR 71 2.031 16.824 -0.642 571 HG1 THR 71 HG1 THR 71 3.931 15.659 -0.202 572 1HG2 THR 71 1HG2 THR 71 2.808 18.930 0.408 573 2HG2 THR 71 2HG2 THR 71 1.261 18.449 1.130 574 3HG2 THR 71 3HG2 THR 71 2.772 18.160 2.005 575 HA PRO 72 HA PRO 72 -2.369 15.212 1.573 576 1HB PRO 72 1HB PRO 72 -3.295 15.661 4.065 577 2HB PRO 72 2HB PRO 72 -2.297 14.249 3.655 578 1HG PRO 72 1HG PRO 72 -1.396 16.834 4.926 579 2HG PRO 72 2HG PRO 72 -0.998 15.192 5.457 580 1HD PRO 72 1HD PRO 72 0.644 16.744 3.823 581 2HD PRO 72 2HD PRO 72 0.648 14.963 3.778 582 H THR 73 H THR 73 -1.948 17.147 0.158 583 HA THR 73 HA THR 73 -2.261 19.816 1.086 584 HB THR 73 HB THR 73 -2.623 20.304 -1.376 585 HG1 THR 73 HG1 THR 73 -2.064 17.528 -1.620 586 1HG2 THR 73 1HG2 THR 73 -0.312 19.792 -1.978 587 2HG2 THR 73 2HG2 THR 73 -0.386 20.339 -0.292 588 3HG2 THR 73 3HG2 THR 73 -0.196 18.609 -0.663 589 H GLU 74 H GLU 74 -4.013 20.338 2.204 590 HA GLU 74 HA GLU 74 -6.066 20.976 2.730 591 1HB GLU 74 1HB GLU 74 -6.494 21.034 -0.285 592 2HB GLU 74 2HB GLU 74 -7.608 21.685 0.925 593 1HG GLU 74 1HG GLU 74 -5.768 23.144 1.797 594 2HG GLU 74 2HG GLU 74 -4.727 22.564 0.484 595 H LYS 75 H LYS 75 -7.106 18.999 -0.033 596 HA LYS 75 HA LYS 75 -8.643 17.227 1.821 597 1HB LYS 75 1HB LYS 75 -9.638 18.434 -0.793 598 2HB LYS 75 2HB LYS 75 -10.529 17.346 0.290 599 1HG LYS 75 1HG LYS 75 -10.276 19.092 2.108 600 2HG LYS 75 2HG LYS 75 -9.632 20.200 0.874 601 1HD LYS 75 1HD LYS 75 -11.720 19.876 -0.465 602 2HD LYS 75 2HD LYS 75 -12.393 18.905 0.856 603 1HE LYS 75 1HE LYS 75 -11.549 21.842 0.975 604 2HE LYS 75 2HE LYS 75 -13.209 21.224 0.958 605 1HZ LYS 75 1HZ LYS 75 -12.791 20.191 3.067 606 2HZ LYS 75 2HZ LYS 75 -11.238 20.746 3.082 607 3HZ LYS 75 3HZ LYS 75 -12.491 21.809 3.148 608 H ASP 76 H ASP 76 -6.044 17.212 -0.090 609 HA ASP 76 HA ASP 76 -6.721 15.149 -2.003 610 1HB ASP 76 1HB ASP 76 -4.868 16.823 -2.335 611 2HB ASP 76 2HB ASP 76 -3.977 15.961 -1.070 612 H GLU 77 H GLU 77 -7.436 13.273 -1.097 613 HA GLU 77 HA GLU 77 -6.143 12.173 1.320 614 1HB GLU 77 1HB GLU 77 -8.609 12.492 1.175 615 2HB GLU 77 2HB GLU 77 -8.665 11.304 -0.141 616 1HG GLU 77 1HG GLU 77 -7.754 9.558 1.392 617 2HG GLU 77 2HG GLU 77 -7.538 10.779 2.664 618 H TYR 78 H TYR 78 -4.823 10.508 1.243 619 HA TYR 78 HA TYR 78 -4.072 9.331 -1.336 620 1HB TYR 78 1HB TYR 78 -2.814 9.472 1.402 621 2HB TYR 78 2HB TYR 78 -2.221 8.403 0.162 622 HD1 TYR 78 HD1 TYR 78 -3.121 12.031 0.702 623 HD2 TYR 78 HD2 TYR 78 -0.584 9.229 -1.367 624 HE1 TYR 78 HE1 TYR 78 -1.947 13.898 -0.394 625 HE2 TYR 78 HE2 TYR 78 0.654 11.153 -2.379 626 HH TYR 78 HH TYR 78 1.002 13.378 -2.384 627 H ALA 79 H ALA 79 -3.994 7.133 -1.729 628 HA ALA 79 HA ALA 79 -5.028 5.190 0.193 629 1HB ALA 79 1HB ALA 79 -6.432 5.703 -2.476 630 2HB ALA 79 2HB ALA 79 -6.865 4.469 -1.276 631 3HB ALA 79 3HB ALA 79 -7.079 6.189 -0.900 632 H CYS 80 H CYS 80 -5.140 2.984 -1.059 633 HA CYS 80 HA CYS 80 -2.755 2.717 -2.847 634 1HB CYS 80 1HB CYS 80 -3.536 0.615 -0.853 635 2HB CYS 80 2HB CYS 80 -1.968 0.913 -1.591 636 H ARG 81 H ARG 81 -3.380 1.773 -4.786 637 HA ARG 81 HA ARG 81 -6.008 0.466 -5.060 638 1HB ARG 81 1HB ARG 81 -5.259 1.846 -6.851 639 2HB ARG 81 2HB ARG 81 -3.739 0.949 -6.976 640 1HG ARG 81 1HG ARG 81 -4.884 -1.047 -7.688 641 2HG ARG 81 2HG ARG 81 -6.469 -0.352 -7.391 642 1HD ARG 81 1HD ARG 81 -6.297 1.139 -9.230 643 2HD ARG 81 2HD ARG 81 -4.564 0.907 -9.398 644 HE ARG 81 HE ARG 81 -6.663 -0.746 -10.494 645 1HH1 ARG 81 1HH2 ARG 81 -3.216 -0.835 -9.441 646 2HH1 ARG 81 2HH2 ARG 81 -2.927 -2.320 -10.332 647 1HH2 ARG 81 1HH1 ARG 81 -6.084 -2.631 -11.738 648 2HH2 ARG 81 2HH1 ARG 81 -4.446 -3.248 -11.616 649 H VAL 82 H VAL 82 -5.913 -1.414 -3.658 650 HA VAL 82 HA VAL 82 -3.614 -3.231 -3.990 651 HB VAL 82 HB VAL 82 -5.977 -3.516 -2.102 652 1HG1 VAL 82 1HG1 VAL 82 -3.139 -4.616 -2.070 653 2HG1 VAL 82 2HG1 VAL 82 -4.431 -4.989 -0.911 654 3HG1 VAL 82 3HG1 VAL 82 -4.565 -5.544 -2.584 655 1HG2 VAL 82 1HG2 VAL 82 -4.949 -1.399 -1.540 656 2HG2 VAL 82 2HG2 VAL 82 -4.413 -2.608 -0.376 657 3HG2 VAL 82 3HG2 VAL 82 -3.316 -2.097 -1.675 658 H ASN 83 H ASN 83 -3.813 -4.449 -5.829 659 HA ASN 83 HA ASN 83 -6.035 -6.421 -5.708 660 1HB ASN 83 1HB ASN 83 -5.875 -6.782 -8.156 661 2HB ASN 83 2HB ASN 83 -6.721 -5.343 -7.640 662 1HD2 ASN 83 2HD2 ASN 83 -4.455 -6.467 -9.842 663 2HD2 ASN 83 1HD2 ASN 83 -3.736 -4.927 -10.269 664 H HIS 84 H HIS 84 -4.868 -7.866 -4.570 665 HA HIS 84 HA HIS 84 -2.281 -8.969 -5.475 666 1HB HIS 84 1HB HIS 84 -2.972 -9.155 -3.128 667 2HB HIS 84 2HB HIS 84 -4.432 -10.020 -3.628 668 HD2 HIS 84 HD2 HIS 84 -0.517 -10.665 -3.814 669 HE1 HIS 84 HE1 HIS 84 -2.615 -14.341 -3.795 670 HE2 HIS 84 HE2 HIS 84 -0.278 -13.268 -3.833 671 H VAL 85 H VAL 85 -2.318 -11.075 -6.651 672 HA VAL 85 HA VAL 85 -4.141 -11.191 -8.748 673 HB VAL 85 HB VAL 85 -1.949 -12.223 -8.754 674 1HG1 VAL 85 1HG1 VAL 85 -3.141 -14.465 -7.063 675 2HG1 VAL 85 2HG1 VAL 85 -1.562 -14.467 -7.861 676 3HG1 VAL 85 3HG1 VAL 85 -1.880 -13.312 -6.559 677 1HG2 VAL 85 1HG2 VAL 85 -3.637 -12.823 -10.444 678 2HG2 VAL 85 2HG2 VAL 85 -2.500 -14.143 -10.126 679 3HG2 VAL 85 3HG2 VAL 85 -4.140 -14.210 -9.452 680 H THR 86 H THR 86 -4.442 -12.735 -5.550 681 HA THR 86 HA THR 86 -6.774 -14.244 -6.425 682 HB THR 86 HB THR 86 -4.853 -14.879 -4.705 683 HG1 THR 86 HG1 THR 86 -6.430 -16.192 -5.626 684 1HG2 THR 86 1HG2 THR 86 -7.180 -14.209 -2.868 685 2HG2 THR 86 2HG2 THR 86 -5.603 -14.898 -2.451 686 3HG2 THR 86 3HG2 THR 86 -5.714 -13.202 -2.966 687 H LEU 87 H LEU 87 -6.364 -11.017 -5.203 688 HA LEU 87 HA LEU 87 -9.053 -10.738 -4.126 689 1HB LEU 87 1HB LEU 87 -6.884 -8.899 -5.094 690 2HB LEU 87 2HB LEU 87 -8.521 -8.341 -5.314 691 HG LEU 87 HG LEU 87 -9.065 -8.582 -2.999 692 1HD1 LEU 87 1HD1 LEU 87 -7.491 -10.462 -2.377 693 2HD1 LEU 87 2HD1 LEU 87 -6.144 -9.314 -2.539 694 3HD1 LEU 87 3HD1 LEU 87 -7.377 -9.059 -1.297 695 1HD2 LEU 87 1HD2 LEU 87 -6.475 -7.046 -3.504 696 2HD2 LEU 87 2HD2 LEU 87 -8.129 -6.444 -3.758 697 3HD2 LEU 87 3HD2 LEU 87 -7.535 -6.779 -2.119 698 H SER 88 H SER 88 -7.532 -10.369 -7.332 699 HA SER 88 HA SER 88 -8.305 -10.500 -9.420 700 1HB SER 88 1HB SER 88 -9.788 -12.381 -8.638 701 2HB SER 88 2HB SER 88 -11.104 -11.198 -8.450 702 HG SER 88 HG SER 88 -11.125 -12.185 -10.488 703 H GLN 89 H GLN 89 -10.510 -8.797 -7.144 704 HA GLN 89 HA GLN 89 -10.970 -6.655 -9.128 705 1HB GLN 89 1HB GLN 89 -13.051 -7.429 -8.631 706 2HB GLN 89 2HB GLN 89 -12.608 -7.983 -7.011 707 1HG GLN 89 1HG GLN 89 -12.642 -5.792 -6.098 708 2HG GLN 89 2HG GLN 89 -12.758 -5.054 -7.710 709 1HE2 GLN 89 2HE2 GLN 89 -14.797 -5.357 -8.926 710 2HE2 GLN 89 1HE2 GLN 89 -16.285 -5.629 -8.044 711 HA PRO 90 HA PRO 90 -8.201 -4.572 -6.294 712 1HB PRO 90 1HB PRO 90 -8.371 -1.982 -7.162 713 2HB PRO 90 2HB PRO 90 -7.563 -3.249 -8.121 714 1HG PRO 90 1HG PRO 90 -10.421 -2.286 -8.396 715 2HG PRO 90 2HG PRO 90 -9.200 -2.455 -9.691 716 1HD PRO 90 1HD PRO 90 -11.035 -4.390 -9.226 717 2HD PRO 90 2HD PRO 90 -9.347 -4.841 -9.616 718 H LYS 91 H LYS 91 -8.341 -3.628 -4.355 719 HA LYS 91 HA LYS 91 -10.903 -2.368 -3.463 720 1HB LYS 91 1HB LYS 91 -8.870 -4.007 -1.887 721 2HB LYS 91 2HB LYS 91 -10.241 -3.113 -1.200 722 1HG LYS 91 1HG LYS 91 -11.839 -4.526 -2.396 723 2HG LYS 91 2HG LYS 91 -10.536 -5.322 -3.285 724 1HD LYS 91 1HD LYS 91 -11.285 -6.804 -1.576 725 2HD LYS 91 2HD LYS 91 -9.639 -6.279 -1.198 726 1HE LYS 91 1HE LYS 91 -10.506 -4.704 0.497 727 2HE LYS 91 2HE LYS 91 -12.173 -5.136 0.064 728 1HZ LYS 91 1HZ LYS 91 -10.156 -6.956 1.181 729 2HZ LYS 91 2HZ LYS 91 -11.429 -6.300 1.996 730 3HZ LYS 91 3HZ LYS 91 -11.698 -7.370 0.774 731 H ILE 92 H ILE 92 -10.516 -0.194 -3.456 732 HA ILE 92 HA ILE 92 -7.766 0.751 -3.509 733 HB ILE 92 HB ILE 92 -10.279 2.429 -3.623 734 1HG1 ILE 92 1HG1 ILE 92 -10.628 0.794 -5.353 735 2HG1 ILE 92 2HG1 ILE 92 -10.144 2.325 -6.068 736 1HG2 ILE 92 1HG2 ILE 92 -8.201 3.653 -3.283 737 2HG2 ILE 92 2HG2 ILE 92 -7.400 2.767 -4.588 738 3HG2 ILE 92 3HG2 ILE 92 -8.727 3.887 -4.960 739 1HD1 ILE 92 1HD1 ILE 92 -8.322 -0.087 -5.678 740 2HD1 ILE 92 2HD1 ILE 92 -9.069 0.443 -7.194 741 3HD1 ILE 92 3HD1 ILE 92 -7.851 1.465 -6.418 742 H VAL 93 H VAL 93 -7.336 -0.075 -1.316 743 HA VAL 93 HA VAL 93 -8.792 0.709 0.971 744 HB VAL 93 HB VAL 93 -5.869 -0.144 0.830 745 1HG1 VAL 93 1HG1 VAL 93 -6.557 0.797 3.043 746 2HG1 VAL 93 2HG1 VAL 93 -7.919 -0.340 3.086 747 3HG1 VAL 93 3HG1 VAL 93 -6.252 -0.941 3.133 748 1HG2 VAL 93 1HG2 VAL 93 -7.226 -1.850 -0.278 749 2HG2 VAL 93 2HG2 VAL 93 -6.775 -2.428 1.321 750 3HG2 VAL 93 3HG2 VAL 93 -8.416 -1.814 1.039 751 H LYS 94 H LYS 94 -9.035 2.742 1.753 752 HA LYS 94 HA LYS 94 -7.200 4.861 1.050 753 1HB LYS 94 1HB LYS 94 -9.421 4.997 3.103 754 2HB LYS 94 2HB LYS 94 -8.573 6.317 2.276 755 1HG LYS 94 1HG LYS 94 -9.494 5.088 0.085 756 2HG LYS 94 2HG LYS 94 -10.700 4.462 1.223 757 1HD LYS 94 1HD LYS 94 -10.014 7.383 0.659 758 2HD LYS 94 2HD LYS 94 -11.489 6.536 0.161 759 1HE LYS 94 1HE LYS 94 -12.152 6.255 2.538 760 2HE LYS 94 2HE LYS 94 -10.673 7.076 3.059 761 1HZ LYS 94 1HZ LYS 94 -11.416 9.017 1.865 762 2HZ LYS 94 2HZ LYS 94 -12.838 8.282 1.487 763 3HZ LYS 94 3HZ LYS 94 -12.449 8.591 3.059 764 H TRP 95 H TRP 95 -5.958 6.130 2.434 765 HA TRP 95 HA TRP 95 -4.474 4.645 4.396 766 1HB TRP 95 1HB TRP 95 -3.280 6.136 3.047 767 2HB TRP 95 2HB TRP 95 -4.439 7.431 3.316 768 HD1 TRP 95 HD1 TRP 95 -2.437 5.497 6.022 769 HE1 TRP 95 HE1 TRP 95 -1.436 7.261 7.615 770 HE3 TRP 95 HE3 TRP 95 -3.586 9.699 3.390 771 HZ2 TRP 95 HZ2 TRP 95 -1.550 10.117 7.913 772 HZ3 TRP 95 HZ3 TRP 95 -2.803 11.897 4.194 773 HH2 TRP 95 HH2 TRP 95 -1.962 12.152 6.505 774 H ASP 96 H ASP 96 -5.483 4.040 6.150 775 HA ASP 96 HA ASP 96 -7.107 5.681 7.847 776 1HB ASP 96 1HB ASP 96 -7.110 3.175 7.840 777 2HB ASP 96 2HB ASP 96 -5.452 3.203 8.470 778 H ARG 97 H ARG 97 -6.507 6.795 9.685 779 HA ARG 97 HA ARG 97 -3.658 7.470 10.193 780 1HB ARG 97 1HB ARG 97 -4.121 9.840 9.601 781 2HB ARG 97 2HB ARG 97 -4.143 8.713 8.252 782 1HG ARG 97 1HG ARG 97 -6.625 8.676 8.239 783 2HG ARG 97 2HG ARG 97 -6.641 9.858 9.557 784 1HD ARG 97 1HD ARG 97 -5.421 11.454 8.137 785 2HD ARG 97 2HD ARG 97 -5.380 10.286 6.812 786 HE ARG 97 HE ARG 97 -7.674 11.846 7.823 787 1HH1 ARG 97 1HH2 ARG 97 -6.828 9.024 5.747 788 2HH1 ARG 97 2HH2 ARG 97 -8.213 9.297 4.712 789 1HH2 ARG 97 1HH1 ARG 97 -9.508 12.022 6.471 790 2HH2 ARG 97 2HH1 ARG 97 -9.715 10.899 5.143 791 H ASP 98 H ASP 98 -5.307 10.080 11.219 792 HA ASP 98 HA ASP 98 -5.839 9.115 13.906 793 1HB ASP 98 1HB ASP 98 -5.076 11.404 13.489 794 2HB ASP 98 2HB ASP 98 -6.529 11.749 12.538 795 H MET 99 H MET 99 -7.997 10.577 11.384 796 HA MET 99 HA MET 99 -9.742 8.369 11.272 797 1HB MET 99 1HB MET 99 -11.779 9.370 12.191 798 2HB MET 99 2HB MET 99 -10.568 9.125 13.444 799 1HG MET 99 1HG MET 99 -9.931 11.612 13.044 800 2HG MET 99 2HG MET 99 -11.466 11.732 12.190 801 1HE MET 99 1HE MET 99 -13.814 11.859 13.420 802 2HE MET 99 2HE MET 99 -13.557 10.126 13.752 803 3HE MET 99 3HE MET 99 -14.068 11.218 15.058 Start of MODEL 17 1 1H MET 0 1H MET 0 -6.820 -25.235 -2.881 2 2H MET 0 2H MET 0 -5.191 -25.329 -2.635 3 3H MET 0 3H MET 0 -6.188 -24.940 -1.383 4 HA MET 0 HA MET 0 -5.760 -23.322 -3.776 5 1HB MET 0 1HB MET 0 -7.348 -22.769 -1.234 6 2HB MET 0 2HB MET 0 -7.005 -21.573 -2.491 7 1HG MET 0 1HG MET 0 -8.251 -22.911 -4.140 8 2HG MET 0 2HG MET 0 -8.597 -24.135 -2.909 9 1HE MET 0 1HE MET 0 -10.717 -22.625 -4.812 10 2HE MET 0 2HE MET 0 -11.183 -23.921 -3.682 11 3HE MET 0 3HE MET 0 -12.054 -22.372 -3.667 12 H ILE 1 H ILE 1 -4.085 -21.894 -3.689 13 HA ILE 1 HA ILE 1 -2.808 -21.286 -1.071 14 HB ILE 1 HB ILE 1 -1.236 -21.429 -3.648 15 1HG1 ILE 1 1HG1 ILE 1 -0.174 -23.489 -2.421 16 2HG1 ILE 1 2HG1 ILE 1 -1.735 -23.627 -1.611 17 1HG2 ILE 1 1HG2 ILE 1 -0.386 -21.467 -0.717 18 2HG2 ILE 1 2HG2 ILE 1 0.678 -21.375 -2.132 19 3HG2 ILE 1 3HG2 ILE 1 -0.369 -20.015 -1.724 20 1HD1 ILE 1 1HD1 ILE 1 -1.224 -23.648 -4.632 21 2HD1 ILE 1 2HD1 ILE 1 -1.489 -25.079 -3.616 22 3HD1 ILE 1 3HD1 ILE 1 -2.804 -23.934 -3.879 23 H GLN 2 H GLN 2 -4.977 -19.981 -1.908 24 HA GLN 2 HA GLN 2 -4.230 -17.597 -3.495 25 1HB GLN 2 1HB GLN 2 -6.879 -18.535 -2.339 26 2HB GLN 2 2HB GLN 2 -6.630 -17.122 -3.372 27 1HG GLN 2 1HG GLN 2 -5.744 -18.629 -5.177 28 2HG GLN 2 2HG GLN 2 -6.077 -20.029 -4.162 29 1HE2 GLN 2 2HE2 GLN 2 -7.745 -17.141 -5.543 30 2HE2 GLN 2 1HE2 GLN 2 -9.257 -17.975 -5.853 31 H ARG 3 H ARG 3 -2.630 -17.347 -1.466 32 HA ARG 3 HA ARG 3 -3.733 -16.741 1.079 33 1HB ARG 3 1HB ARG 3 -1.042 -16.097 -0.124 34 2HB ARG 3 2HB ARG 3 -1.482 -15.773 1.565 35 1HG ARG 3 1HG ARG 3 -1.896 -18.139 1.968 36 2HG ARG 3 2HG ARG 3 -1.524 -18.529 0.284 37 1HD ARG 3 1HD ARG 3 0.693 -18.521 0.634 38 2HD ARG 3 2HD ARG 3 0.674 -16.998 1.532 39 HE ARG 3 HE ARG 3 0.632 -19.730 2.548 40 1HH1 ARG 3 1HH2 ARG 3 0.126 -16.290 3.379 41 2HH1 ARG 3 2HH2 ARG 3 0.107 -16.603 5.093 42 1HH2 ARG 3 1HH1 ARG 3 0.584 -20.081 4.796 43 2HH2 ARG 3 2HH1 ARG 3 0.415 -18.748 5.906 44 H THR 4 H THR 4 -4.830 -15.008 1.733 45 HA THR 4 HA THR 4 -5.384 -12.876 -0.053 46 HB THR 4 HB THR 4 -6.105 -13.260 2.881 47 HG1 THR 4 HG1 THR 4 -7.391 -14.095 0.497 48 1HG2 THR 4 1HG2 THR 4 -7.563 -11.683 0.716 49 2HG2 THR 4 2HG2 THR 4 -8.091 -11.922 2.389 50 3HG2 THR 4 3HG2 THR 4 -6.640 -10.962 2.061 51 HA PRO 5 HA PRO 5 -2.195 -10.067 1.463 52 1HB PRO 5 1HB PRO 5 -3.137 -7.667 0.508 53 2HB PRO 5 2HB PRO 5 -2.411 -8.933 -0.524 54 1HG PRO 5 1HG PRO 5 -5.343 -8.412 -0.012 55 2HG PRO 5 2HG PRO 5 -4.523 -8.658 -1.583 56 1HD PRO 5 1HD PRO 5 -5.809 -10.672 -0.312 57 2HD PRO 5 2HD PRO 5 -4.282 -10.983 -1.186 58 H LYS 6 H LYS 6 -2.106 -9.817 3.627 59 HA LYS 6 HA LYS 6 -4.195 -8.458 5.189 60 1HB LYS 6 1HB LYS 6 -2.855 -10.395 6.087 61 2HB LYS 6 2HB LYS 6 -1.416 -9.357 6.009 62 1HG LYS 6 1HG LYS 6 -2.781 -7.648 7.375 63 2HG LYS 6 2HG LYS 6 -3.974 -8.930 7.614 64 1HD LYS 6 1HD LYS 6 -2.305 -10.314 8.778 65 2HD LYS 6 2HD LYS 6 -1.020 -9.170 8.349 66 1HE LYS 6 1HE LYS 6 -1.636 -8.784 10.659 67 2HE LYS 6 2HE LYS 6 -2.127 -7.392 9.681 68 1HZ LYS 6 1HZ LYS 6 -4.355 -8.267 9.679 69 2HZ LYS 6 2HZ LYS 6 -3.891 -9.563 10.588 70 3HZ LYS 6 3HZ LYS 6 -3.817 -8.042 11.218 71 H ILE 7 H ILE 7 -4.291 -6.310 4.954 72 HA ILE 7 HA ILE 7 -1.957 -4.722 4.084 73 HB ILE 7 HB ILE 7 -4.891 -4.068 4.355 74 1HG1 ILE 7 1HG1 ILE 7 -3.772 -4.276 1.634 75 2HG1 ILE 7 2HG1 ILE 7 -3.732 -5.818 2.463 76 1HG2 ILE 7 1HG2 ILE 7 -3.517 -2.064 4.407 77 2HG2 ILE 7 2HG2 ILE 7 -2.602 -2.596 2.983 78 3HG2 ILE 7 3HG2 ILE 7 -4.318 -2.171 2.834 79 1HD1 ILE 7 1HD1 ILE 7 -6.093 -5.763 2.947 80 2HD1 ILE 7 2HD1 ILE 7 -6.249 -4.139 2.250 81 3HD1 ILE 7 3HD1 ILE 7 -5.828 -5.514 1.211 82 H GLN 8 H GLN 8 -0.823 -3.350 5.570 83 HA GLN 8 HA GLN 8 -2.315 -2.344 7.908 84 1HB GLN 8 1HB GLN 8 -0.180 -2.720 9.141 85 2HB GLN 8 2HB GLN 8 -1.220 -4.129 8.913 86 1HG GLN 8 1HG GLN 8 1.206 -3.529 7.182 87 2HG GLN 8 2HG GLN 8 1.304 -4.451 8.684 88 1HE2 GLN 8 2HE2 GLN 8 1.781 -5.147 5.750 89 2HE2 GLN 8 1HE2 GLN 8 0.914 -6.660 5.578 90 H VAL 9 H VAL 9 -2.535 -0.392 6.826 91 HA VAL 9 HA VAL 9 -0.227 0.941 5.695 92 HB VAL 9 HB VAL 9 -2.988 2.071 6.252 93 1HG1 VAL 9 1HG1 VAL 9 -0.710 2.933 4.420 94 2HG1 VAL 9 2HG1 VAL 9 -2.347 3.618 4.389 95 3HG1 VAL 9 3HG1 VAL 9 -1.332 3.814 5.821 96 1HG2 VAL 9 1HG2 VAL 9 -3.322 0.153 4.839 97 2HG2 VAL 9 2HG2 VAL 9 -3.420 1.588 3.823 98 3HG2 VAL 9 3HG2 VAL 9 -1.952 0.588 3.797 99 H TYR 10 H TYR 10 1.148 2.296 6.746 100 HA TYR 10 HA TYR 10 0.392 3.337 9.442 101 1HB TYR 10 1HB TYR 10 3.190 3.219 8.379 102 2HB TYR 10 2HB TYR 10 2.622 3.336 10.031 103 HD1 TYR 10 HD1 TYR 10 3.909 1.130 7.586 104 HD2 TYR 10 HD2 TYR 10 1.052 1.284 10.805 105 HE1 TYR 10 HE1 TYR 10 4.141 -1.321 7.899 106 HE2 TYR 10 HE2 TYR 10 1.226 -1.183 11.068 107 HH TYR 10 HH TYR 10 2.382 -3.067 10.503 108 H SER 11 H SER 11 1.141 5.413 9.985 109 HA SER 11 HA SER 11 1.600 7.390 7.793 110 1HB SER 11 1HB SER 11 0.192 8.440 10.178 111 2HB SER 11 2HB SER 11 -0.086 8.731 8.470 112 HG SER 11 HG SER 11 -1.794 7.609 9.595 113 H ARG 12 H ARG 12 3.727 8.095 8.157 114 HA ARG 12 HA ARG 12 5.059 7.780 10.686 115 1HB ARG 12 1HB ARG 12 5.629 9.469 8.224 116 2HB ARG 12 2HB ARG 12 6.682 9.493 9.641 117 1HG ARG 12 1HG ARG 12 5.982 6.928 8.144 118 2HG ARG 12 2HG ARG 12 7.398 7.940 7.797 119 1HD ARG 12 1HD ARG 12 8.160 7.682 10.140 120 2HD ARG 12 2HD ARG 12 6.852 6.514 10.430 121 HE ARG 12 HE ARG 12 8.096 5.539 8.187 122 1HH1 ARG 12 1HH2 ARG 12 9.182 6.340 11.472 123 2HH1 ARG 12 2HH2 ARG 12 10.517 5.218 11.441 124 1HH2 ARG 12 1HH1 ARG 12 9.851 4.071 8.158 125 2HH2 ARG 12 2HH1 ARG 12 10.893 3.914 9.549 126 H HIS 13 H HIS 13 3.398 10.519 9.137 127 HA HIS 13 HA HIS 13 3.055 11.759 11.820 128 1HB HIS 13 1HB HIS 13 3.204 13.174 9.144 129 2HB HIS 13 2HB HIS 13 2.979 13.928 10.724 130 HD2 HIS 13 HD2 HIS 13 5.765 12.512 8.497 131 HE1 HIS 13 HE1 HIS 13 7.573 13.904 12.067 132 HE2 HIS 13 HE2 HIS 13 8.052 12.994 9.727 133 HA PRO 14 HA PRO 14 -1.207 11.118 10.601 134 1HB PRO 14 1HB PRO 14 -2.543 12.425 12.529 135 2HB PRO 14 2HB PRO 14 -1.353 11.166 12.956 136 1HG PRO 14 1HG PRO 14 -0.843 14.146 12.909 137 2HG PRO 14 2HG PRO 14 -0.552 12.995 14.250 138 1HD PRO 14 1HD PRO 14 1.380 13.713 12.407 139 2HD PRO 14 2HD PRO 14 1.342 12.107 13.183 140 H ALA 15 H ALA 15 -0.055 12.669 8.780 141 HA ALA 15 HA ALA 15 -0.354 14.114 7.139 142 1HB ALA 15 1HB ALA 15 -2.771 13.587 7.301 143 2HB ALA 15 2HB ALA 15 -2.973 14.994 8.360 144 3HB ALA 15 3HB ALA 15 -2.445 15.225 6.699 145 H GLU 16 H GLU 16 0.556 15.956 6.734 146 HA GLU 16 HA GLU 16 0.241 18.344 8.415 147 1HB GLU 16 1HB GLU 16 3.031 17.363 7.670 148 2HB GLU 16 2HB GLU 16 2.594 18.811 8.578 149 1HG GLU 16 1HG GLU 16 1.664 17.320 10.391 150 2HG GLU 16 2HG GLU 16 2.278 15.922 9.492 151 H ASN 17 H ASN 17 -0.624 19.629 6.794 152 HA ASN 17 HA ASN 17 -0.227 19.157 4.052 153 1HB ASN 17 1HB ASN 17 -1.486 21.174 3.716 154 2HB ASN 17 2HB ASN 17 -2.211 20.263 5.038 155 1HD2 ASN 17 2HD2 ASN 17 -1.717 21.024 7.305 156 2HD2 ASN 17 1HD2 ASN 17 -1.406 22.727 7.548 157 H GLY 18 H GLY 18 0.821 20.314 2.420 158 1HA GLY 18 1HA GLY 18 2.341 21.704 1.439 159 2HA GLY 18 2HA GLY 18 2.667 22.489 2.988 160 H LYS 19 H LYS 19 3.686 20.615 4.607 161 HA LYS 19 HA LYS 19 6.309 20.012 3.408 162 1HB LYS 19 1HB LYS 19 5.984 21.030 5.643 163 2HB LYS 19 2HB LYS 19 5.478 19.394 6.170 164 1HG LYS 19 1HG LYS 19 7.641 18.477 5.340 165 2HG LYS 19 2HG LYS 19 8.092 20.088 4.755 166 1HD LYS 19 1HD LYS 19 9.222 19.692 6.728 167 2HD LYS 19 2HD LYS 19 8.016 20.958 7.062 168 1HE LYS 19 1HE LYS 19 6.552 19.312 8.191 169 2HE LYS 19 2HE LYS 19 7.659 17.992 7.753 170 1HZ LYS 19 1HZ LYS 19 8.263 20.230 9.551 171 2HZ LYS 19 2HZ LYS 19 7.947 18.672 9.988 172 3HZ LYS 19 3HZ LYS 19 9.312 19.026 9.134 173 H SER 20 H SER 20 6.552 18.212 2.480 174 HA SER 20 HA SER 20 5.206 15.908 2.166 175 1HB SER 20 1HB SER 20 7.370 14.726 1.804 176 2HB SER 20 2HB SER 20 7.057 16.208 0.906 177 HG SER 20 HG SER 20 8.509 16.129 3.350 178 H ASN 21 H ASN 21 4.714 14.113 3.412 179 HA ASN 21 HA ASN 21 6.004 13.641 6.091 180 1HB ASN 21 1HB ASN 21 3.301 12.856 5.023 181 2HB ASN 21 2HB ASN 21 3.901 12.496 6.657 182 1HD2 ASN 21 2HD2 ASN 21 2.520 14.905 4.565 183 2HD2 ASN 21 1HD2 ASN 21 2.482 16.221 5.724 184 H PHE 22 H PHE 22 4.632 10.843 5.931 185 HA PHE 22 HA PHE 22 5.626 9.659 3.566 186 1HB PHE 22 1HB PHE 22 7.472 9.605 5.760 187 2HB PHE 22 2HB PHE 22 6.850 7.977 5.536 188 HD1 PHE 22 HD1 PHE 22 6.768 7.060 3.067 189 HD2 PHE 22 HD2 PHE 22 9.262 10.331 4.362 190 HE1 PHE 22 HE1 PHE 22 8.286 6.692 1.129 191 HE2 PHE 22 HE2 PHE 22 10.819 9.884 2.481 192 HZ PHE 22 HZ PHE 22 10.286 8.112 0.821 193 H LEU 23 H LEU 23 4.163 8.361 2.977 194 HA LEU 23 HA LEU 23 2.273 7.064 4.834 195 1HB LEU 23 1HB LEU 23 1.410 8.504 3.016 196 2HB LEU 23 2HB LEU 23 2.310 7.557 1.833 197 HG LEU 23 HG LEU 23 0.821 5.612 2.395 198 1HD1 LEU 23 1HD1 LEU 23 -0.591 7.716 4.106 199 2HD1 LEU 23 2HD1 LEU 23 -1.212 6.091 3.712 200 3HD1 LEU 23 3HD1 LEU 23 0.215 6.265 4.732 201 1HD2 LEU 23 1HD2 LEU 23 0.318 7.219 0.538 202 2HD2 LEU 23 2HD2 LEU 23 -1.175 6.614 1.284 203 3HD2 LEU 23 3HD2 LEU 23 -0.579 8.240 1.675 204 H ASN 24 H ASN 24 2.256 4.830 4.998 205 HA ASN 24 HA ASN 24 4.171 3.279 3.293 206 1HB ASN 24 1HB ASN 24 3.889 3.334 6.301 207 2HB ASN 24 2HB ASN 24 4.786 2.119 5.384 208 1HD2 ASN 24 2HD2 ASN 24 4.636 5.625 6.188 209 2HD2 ASN 24 1HD2 ASN 24 6.329 5.935 5.869 210 H CYS 25 H CYS 25 2.479 2.405 2.111 211 HA CYS 25 HA CYS 25 0.306 0.954 3.501 212 1HB CYS 25 1HB CYS 25 0.848 1.341 0.551 213 2HB CYS 25 2HB CYS 25 -0.487 0.434 1.242 214 H TYR 26 H TYR 26 1.744 -0.509 4.630 215 HA TYR 26 HA TYR 26 3.410 -2.304 3.071 216 1HB TYR 26 1HB TYR 26 4.026 -1.624 5.366 217 2HB TYR 26 2HB TYR 26 2.542 -2.278 5.985 218 HD1 TYR 26 HD1 TYR 26 3.553 -3.778 7.584 219 HD2 TYR 26 HD2 TYR 26 4.720 -4.004 3.447 220 HE1 TYR 26 HE1 TYR 26 4.508 -6.024 7.975 221 HE2 TYR 26 HE2 TYR 26 5.618 -6.246 3.816 222 HH TYR 26 HH TYR 26 5.539 -7.854 7.026 223 H VAL 27 H VAL 27 2.710 -4.227 2.167 224 HA VAL 27 HA VAL 27 0.115 -5.360 3.109 225 HB VAL 27 HB VAL 27 1.101 -5.628 0.237 226 1HG1 VAL 27 1HG1 VAL 27 -0.600 -7.225 1.166 227 2HG1 VAL 27 2HG1 VAL 27 -1.637 -5.840 1.538 228 3HG1 VAL 27 3HG1 VAL 27 -1.238 -6.224 -0.151 229 1HG2 VAL 27 1HG2 VAL 27 -0.764 -3.504 1.302 230 2HG2 VAL 27 2HG2 VAL 27 0.802 -3.243 0.494 231 3HG2 VAL 27 3HG2 VAL 27 -0.543 -3.947 -0.416 232 H SER 28 H SER 28 0.253 -7.577 3.561 233 HA SER 28 HA SER 28 2.459 -9.108 2.514 234 1HB SER 28 1HB SER 28 3.487 -9.610 4.751 235 2HB SER 28 2HB SER 28 3.543 -7.892 4.441 236 HG SER 28 HG SER 28 1.588 -9.264 5.981 237 H GLY 29 H GLY 29 2.549 -11.308 4.037 238 1HA GLY 29 1HA GLY 29 1.423 -13.183 4.707 239 2HA GLY 29 2HA GLY 29 -0.114 -12.318 4.647 240 H PHE 30 H PHE 30 0.357 -11.476 1.771 241 HA PHE 30 HA PHE 30 -1.011 -13.663 0.586 242 1HB PHE 30 1HB PHE 30 -1.067 -12.294 -1.415 243 2HB PHE 30 2HB PHE 30 -1.462 -11.373 -0.016 244 HD1 PHE 30 HD1 PHE 30 -0.127 -9.404 0.657 245 HD2 PHE 30 HD2 PHE 30 1.173 -12.003 -2.550 246 HE1 PHE 30 HE1 PHE 30 1.692 -7.854 0.093 247 HE2 PHE 30 HE2 PHE 30 2.963 -10.411 -3.111 248 HZ PHE 30 HZ PHE 30 3.223 -8.357 -1.771 249 H HIS 31 H HIS 31 -0.320 -14.444 -1.668 250 HA HIS 31 HA HIS 31 2.400 -14.781 -2.501 251 1HB HIS 31 1HB HIS 31 2.821 -16.262 -0.666 252 2HB HIS 31 2HB HIS 31 1.166 -16.834 -0.717 253 HD2 HIS 31 HD2 HIS 31 0.736 -18.315 -3.409 254 HE1 HIS 31 HE1 HIS 31 4.436 -20.213 -2.693 255 HE2 HIS 31 HE2 HIS 31 2.271 -20.323 -4.049 256 HA PRO 32 HA PRO 32 3.119 -16.179 -4.195 257 1HB PRO 32 1HB PRO 32 3.411 -16.549 -6.846 258 2HB PRO 32 2HB PRO 32 2.560 -17.725 -5.836 259 1HG PRO 32 1HG PRO 32 1.272 -15.490 -7.431 260 2HG PRO 32 2HG PRO 32 0.925 -17.242 -7.544 261 1HD PRO 32 1HD PRO 32 -0.507 -15.552 -5.920 262 2HD PRO 32 2HD PRO 32 -0.190 -17.248 -5.465 263 H SER 33 H SER 33 3.969 -14.769 -6.874 264 HA SER 33 HA SER 33 4.700 -12.446 -5.382 265 1HB SER 33 1HB SER 33 6.310 -12.174 -7.249 266 2HB SER 33 2HB SER 33 6.299 -13.837 -6.628 267 HG SER 33 HG SER 33 4.864 -12.952 -8.911 268 H ASP 34 H ASP 34 2.598 -12.863 -8.222 269 HA ASP 34 HA ASP 34 3.046 -10.161 -9.100 270 1HB ASP 34 1HB ASP 34 2.564 -11.870 -10.710 271 2HB ASP 34 2HB ASP 34 1.044 -12.290 -9.912 272 H ILE 35 H ILE 35 2.510 -8.701 -7.495 273 HA ILE 35 HA ILE 35 -0.416 -8.215 -7.259 274 HB ILE 35 HB ILE 35 0.453 -9.008 -5.199 275 1HG1 ILE 35 1HG1 ILE 35 0.041 -6.018 -4.847 276 2HG1 ILE 35 2HG1 ILE 35 -1.276 -7.108 -5.231 277 1HG2 ILE 35 1HG2 ILE 35 2.788 -8.380 -5.397 278 2HG2 ILE 35 2HG2 ILE 35 2.338 -6.655 -5.225 279 3HG2 ILE 35 3HG2 ILE 35 2.089 -7.799 -3.890 280 1HD1 ILE 35 1HD1 ILE 35 0.425 -7.116 -2.717 281 2HD1 ILE 35 2HD1 ILE 35 -1.308 -6.844 -2.880 282 3HD1 ILE 35 3HD1 ILE 35 -0.627 -8.465 -3.163 283 H GLU 36 H GLU 36 -1.093 -6.112 -7.303 284 HA GLU 36 HA GLU 36 0.775 -4.030 -8.336 285 1HB GLU 36 1HB GLU 36 -2.177 -4.041 -8.883 286 2HB GLU 36 2HB GLU 36 -0.856 -3.218 -9.705 287 1HG GLU 36 1HG GLU 36 -0.053 -5.476 -10.478 288 2HG GLU 36 2HG GLU 36 -1.477 -6.196 -9.752 289 H VAL 37 H VAL 37 0.846 -2.161 -7.156 290 HA VAL 37 HA VAL 37 -1.397 -1.362 -5.416 291 HB VAL 37 HB VAL 37 1.466 -1.738 -4.448 292 1HG1 VAL 37 1HG1 VAL 37 -0.911 -0.730 -2.830 293 2HG1 VAL 37 2HG1 VAL 37 0.715 -1.057 -2.236 294 3HG1 VAL 37 3HG1 VAL 37 0.448 0.267 -3.372 295 1HG2 VAL 37 1HG2 VAL 37 -1.148 -3.177 -3.850 296 2HG2 VAL 37 2HG2 VAL 37 0.383 -3.859 -4.449 297 3HG2 VAL 37 3HG2 VAL 37 0.247 -3.286 -2.779 298 H ASP 38 H ASP 38 -1.782 0.204 -6.961 299 HA ASP 38 HA ASP 38 0.211 2.300 -7.471 300 1HB ASP 38 1HB ASP 38 -2.764 2.235 -8.137 301 2HB ASP 38 2HB ASP 38 -1.552 3.377 -8.719 302 H LEU 39 H LEU 39 0.528 3.953 -6.070 303 HA LEU 39 HA LEU 39 -1.428 4.521 -3.938 304 1HB LEU 39 1HB LEU 39 1.384 5.576 -4.462 305 2HB LEU 39 2HB LEU 39 0.289 6.096 -3.170 306 HG LEU 39 HG LEU 39 0.107 3.607 -2.531 307 1HD1 LEU 39 1HD1 LEU 39 2.542 3.491 -4.297 308 2HD1 LEU 39 2HD1 LEU 39 2.322 2.377 -2.932 309 3HD1 LEU 39 3HD1 LEU 39 1.152 2.395 -4.247 310 1HD2 LEU 39 1HD2 LEU 39 2.681 5.164 -2.110 311 2HD2 LEU 39 2HD2 LEU 39 1.185 5.316 -1.156 312 3HD2 LEU 39 3HD2 LEU 39 2.125 3.818 -1.092 313 H LEU 40 H LEU 40 -2.692 6.278 -3.951 314 HA LEU 40 HA LEU 40 -2.938 7.744 -6.527 315 1HB LEU 40 1HB LEU 40 -3.757 5.238 -6.353 316 2HB LEU 40 2HB LEU 40 -5.055 5.913 -5.394 317 HG LEU 40 HG LEU 40 -5.757 5.572 -7.648 318 1HD1 LEU 40 1HD1 LEU 40 -6.594 7.641 -6.513 319 2HD1 LEU 40 2HD1 LEU 40 -5.344 8.581 -7.365 320 3HD1 LEU 40 3HD1 LEU 40 -6.604 7.743 -8.284 321 1HD2 LEU 40 1HD2 LEU 40 -3.679 7.498 -8.683 322 2HD2 LEU 40 2HD2 LEU 40 -3.373 5.749 -8.592 323 3HD2 LEU 40 3HD2 LEU 40 -4.697 6.381 -9.597 324 H LYS 41 H LYS 41 -3.477 9.876 -5.937 325 HA LYS 41 HA LYS 41 -4.707 10.351 -3.349 326 1HB LYS 41 1HB LYS 41 -4.053 12.269 -5.576 327 2HB LYS 41 2HB LYS 41 -4.445 12.688 -3.889 328 1HG LYS 41 1HG LYS 41 -2.424 12.441 -3.208 329 2HG LYS 41 2HG LYS 41 -2.323 10.799 -3.805 330 1HD LYS 41 1HD LYS 41 -0.575 12.058 -4.871 331 2HD LYS 41 2HD LYS 41 -1.774 11.693 -6.095 332 1HE LYS 41 1HE LYS 41 -0.936 14.017 -6.237 333 2HE LYS 41 2HE LYS 41 -2.683 13.976 -5.976 334 1HZ LYS 41 1HZ LYS 41 -0.717 14.383 -3.836 335 2HZ LYS 41 2HZ LYS 41 -1.529 15.595 -4.610 336 3HZ LYS 41 3HZ LYS 41 -2.363 14.506 -3.708 337 H ASN 42 H ASN 42 -6.101 12.710 -4.788 338 HA ASN 42 HA ASN 42 -8.796 11.740 -4.763 339 1HB ASN 42 1HB ASN 42 -9.374 13.957 -5.493 340 2HB ASN 42 2HB ASN 42 -8.045 14.155 -4.348 341 1HD2 ASN 42 2HD2 ASN 42 -5.748 14.313 -5.434 342 2HD2 ASN 42 1HD2 ASN 42 -5.674 15.143 -6.970 343 H GLY 43 H GLY 43 -6.413 12.319 -7.355 344 1HA GLY 43 1HA GLY 43 -7.449 10.236 -8.989 345 2HA GLY 43 2HA GLY 43 -8.050 11.797 -9.587 346 H GLU 44 H GLU 44 -4.915 11.149 -7.992 347 HA GLU 44 HA GLU 44 -3.470 11.386 -10.587 348 1HB GLU 44 1HB GLU 44 -3.456 13.572 -9.480 349 2HB GLU 44 2HB GLU 44 -2.831 12.838 -7.993 350 1HG GLU 44 1HG GLU 44 -0.760 12.165 -9.171 351 2HG GLU 44 2HG GLU 44 -1.396 12.829 -10.687 352 H ARG 45 H ARG 45 -1.936 9.872 -10.819 353 HA ARG 45 HA ARG 45 -1.523 7.915 -8.640 354 1HB ARG 45 1HB ARG 45 -2.338 7.171 -10.843 355 2HB ARG 45 2HB ARG 45 -0.855 7.764 -11.605 356 1HG ARG 45 1HG ARG 45 0.511 6.188 -10.369 357 2HG ARG 45 2HG ARG 45 -0.848 5.724 -9.329 358 1HD ARG 45 1HD ARG 45 -0.757 5.266 -12.340 359 2HD ARG 45 2HD ARG 45 -0.316 4.064 -11.110 360 HE ARG 45 HE ARG 45 -2.929 5.159 -10.605 361 1HH1 ARG 45 1HH2 ARG 45 -1.245 2.738 -12.582 362 2HH1 ARG 45 2HH2 ARG 45 -2.673 1.764 -12.816 363 1HH2 ARG 45 1HH1 ARG 45 -4.771 3.866 -10.896 364 2HH2 ARG 45 2HH1 ARG 45 -4.681 2.399 -11.837 365 H ILE 46 H ILE 46 0.395 7.546 -7.663 366 HA ILE 46 HA ILE 46 2.351 9.668 -7.884 367 HB ILE 46 HB ILE 46 1.659 7.469 -5.900 368 1HG1 ILE 46 1HG1 ILE 46 1.212 10.491 -5.788 369 2HG1 ILE 46 2HG1 ILE 46 -0.049 9.333 -6.221 370 1HG2 ILE 46 1HG2 ILE 46 4.022 8.023 -5.778 371 2HG2 ILE 46 2HG2 ILE 46 3.628 9.763 -5.738 372 3HG2 ILE 46 3HG2 ILE 46 3.154 8.686 -4.392 373 1HD1 ILE 46 1HD1 ILE 46 1.325 9.504 -3.528 374 2HD1 ILE 46 2HD1 ILE 46 -0.350 9.884 -3.956 375 3HD1 ILE 46 3HD1 ILE 46 0.200 8.218 -4.005 376 H GLU 47 H GLU 47 4.173 9.354 -8.959 377 HA GLU 47 HA GLU 47 4.998 6.710 -9.901 378 1HB GLU 47 1HB GLU 47 6.255 9.449 -10.334 379 2HB GLU 47 2HB GLU 47 6.711 7.932 -11.128 380 1HG GLU 47 1HG GLU 47 4.340 7.764 -12.016 381 2HG GLU 47 2HG GLU 47 4.058 9.402 -11.405 382 H LYS 48 H LYS 48 6.273 9.256 -7.678 383 HA LYS 48 HA LYS 48 8.673 7.723 -7.111 384 1HB LYS 48 1HB LYS 48 8.449 10.246 -7.198 385 2HB LYS 48 2HB LYS 48 7.695 10.178 -5.609 386 1HG LYS 48 1HG LYS 48 10.477 9.114 -6.328 387 2HG LYS 48 2HG LYS 48 10.141 10.696 -5.622 388 1HD LYS 48 1HD LYS 48 9.203 9.580 -3.586 389 2HD LYS 48 2HD LYS 48 9.601 8.005 -4.297 390 1HE LYS 48 1HE LYS 48 11.300 8.505 -2.728 391 2HE LYS 48 2HE LYS 48 12.002 8.597 -4.351 392 1HZ LYS 48 1HZ LYS 48 11.104 10.903 -2.756 393 2HZ LYS 48 2HZ LYS 48 12.662 10.391 -2.885 394 3HZ LYS 48 3HZ LYS 48 11.870 10.966 -4.212 395 H VAL 49 H VAL 49 7.399 5.785 -6.541 396 HA VAL 49 HA VAL 49 6.754 5.728 -3.626 397 HB VAL 49 HB VAL 49 6.194 3.532 -5.622 398 1HG1 VAL 49 1HG1 VAL 49 6.210 3.183 -3.065 399 2HG1 VAL 49 2HG1 VAL 49 4.817 4.263 -3.001 400 3HG1 VAL 49 3HG1 VAL 49 4.718 2.735 -3.901 401 1HG2 VAL 49 1HG2 VAL 49 4.304 5.796 -4.871 402 2HG2 VAL 49 2HG2 VAL 49 5.022 5.521 -6.474 403 3HG2 VAL 49 3HG2 VAL 49 3.903 4.345 -5.818 404 H GLU 50 H GLU 50 8.555 5.132 -2.479 405 HA GLU 50 HA GLU 50 10.757 3.619 -3.699 406 1HB GLU 50 1HB GLU 50 11.096 5.525 -2.132 407 2HB GLU 50 2HB GLU 50 10.391 4.545 -0.837 408 1HG GLU 50 1HG GLU 50 12.152 2.857 -1.113 409 2HG GLU 50 2HG GLU 50 12.835 3.763 -2.474 410 H HIS 51 H HIS 51 10.839 1.417 -3.635 411 HA HIS 51 HA HIS 51 8.759 -0.040 -2.084 412 1HB HIS 51 1HB HIS 51 10.253 -0.679 -4.628 413 2HB HIS 51 2HB HIS 51 9.272 -1.864 -3.759 414 HD2 HIS 51 HD2 HIS 51 7.441 1.452 -3.769 415 HE1 HIS 51 HE1 HIS 51 5.987 -0.776 -7.056 416 HE2 HIS 51 HE2 HIS 51 5.603 1.314 -5.638 417 H SER 52 H SER 52 9.263 -2.050 -1.175 418 HA SER 52 HA SER 52 11.919 -2.348 0.003 419 1HB SER 52 1HB SER 52 9.793 -2.911 1.173 420 2HB SER 52 2HB SER 52 9.567 -4.256 0.019 421 HG SER 52 HG SER 52 11.683 -4.973 0.755 422 H ASP 53 H ASP 53 10.452 -3.336 -2.966 423 HA ASP 53 HA ASP 53 10.968 -4.709 -4.638 424 1HB ASP 53 1HB ASP 53 13.787 -4.546 -3.504 425 2HB ASP 53 2HB ASP 53 13.350 -5.015 -5.149 426 H LEU 54 H LEU 54 9.813 -5.977 -2.551 427 HA LEU 54 HA LEU 54 9.116 -7.958 -1.984 428 1HB LEU 54 1HB LEU 54 9.682 -8.375 -4.501 429 2HB LEU 54 2HB LEU 54 10.920 -9.448 -3.850 430 HG LEU 54 HG LEU 54 8.986 -10.774 -4.287 431 1HD1 LEU 54 1HD1 LEU 54 10.078 -11.237 -2.087 432 2HD1 LEU 54 2HD1 LEU 54 8.726 -10.358 -1.323 433 3HD1 LEU 54 3HD1 LEU 54 8.411 -11.794 -2.264 434 1HD2 LEU 54 1HD2 LEU 54 7.247 -8.826 -2.731 435 2HD2 LEU 54 2HD2 LEU 54 7.346 -8.957 -4.500 436 3HD2 LEU 54 3HD2 LEU 54 6.732 -10.290 -3.534 437 H SER 55 H SER 55 9.440 -8.606 -0.058 438 HA SER 55 HA SER 55 11.857 -10.198 0.616 439 1HB SER 55 1HB SER 55 12.072 -8.049 1.824 440 2HB SER 55 2HB SER 55 10.423 -8.220 2.451 441 HG SER 55 HG SER 55 12.616 -9.957 2.940 442 H PHE 56 H PHE 56 10.877 -12.188 0.410 443 HA PHE 56 HA PHE 56 8.071 -12.502 1.198 444 1HB PHE 56 1HB PHE 56 8.146 -14.575 0.093 445 2HB PHE 56 2HB PHE 56 9.094 -13.499 -0.911 446 HD1 PHE 56 HD1 PHE 56 11.678 -13.631 -0.682 447 HD2 PHE 56 HD2 PHE 56 8.961 -16.623 0.801 448 HE1 PHE 56 HE1 PHE 56 13.599 -15.180 -0.282 449 HE2 PHE 56 HE2 PHE 56 10.877 -18.191 1.141 450 HZ PHE 56 HZ PHE 56 13.177 -17.488 0.532 451 H SER 57 H SER 57 10.671 -12.298 3.046 452 HA SER 57 HA SER 57 11.492 -13.055 4.915 453 1HB SER 57 1HB SER 57 10.161 -13.860 6.696 454 2HB SER 57 2HB SER 57 9.190 -12.696 5.807 455 HG SER 57 HG SER 57 8.178 -14.515 4.789 456 H LYS 58 H LYS 58 11.723 -15.375 6.271 457 HA LYS 58 HA LYS 58 12.097 -17.554 4.278 458 1HB LYS 58 1HB LYS 58 12.965 -17.232 7.144 459 2HB LYS 58 2HB LYS 58 13.264 -18.655 6.121 460 1HG LYS 58 1HG LYS 58 14.532 -17.335 4.506 461 2HG LYS 58 2HG LYS 58 14.099 -15.832 5.305 462 1HD LYS 58 1HD LYS 58 16.353 -16.348 5.947 463 2HD LYS 58 2HD LYS 58 15.296 -16.479 7.355 464 1HE LYS 58 1HE LYS 58 16.960 -18.278 7.308 465 2HE LYS 58 2HE LYS 58 15.322 -18.935 7.204 466 1HZ LYS 58 1HZ LYS 58 15.650 -19.179 4.844 467 2HZ LYS 58 2HZ LYS 58 17.164 -18.534 4.942 468 3HZ LYS 58 3HZ LYS 58 16.829 -19.973 5.671 469 H ASP 59 H ASP 59 9.600 -16.385 6.229 470 HA ASP 59 HA ASP 59 8.765 -18.983 7.208 471 1HB ASP 59 1HB ASP 59 7.586 -16.208 7.605 472 2HB ASP 59 2HB ASP 59 7.180 -17.657 8.533 473 H TRP 60 H TRP 60 8.650 -18.808 4.413 474 HA TRP 60 HA TRP 60 7.334 -18.871 2.559 475 1HB TRP 60 1HB TRP 60 5.949 -20.727 2.526 476 2HB TRP 60 2HB TRP 60 7.392 -21.044 3.473 477 HD1 TRP 60 HD1 TRP 60 7.042 -21.144 6.170 478 HE1 TRP 60 HE1 TRP 60 5.025 -22.064 7.549 479 HE3 TRP 60 HE3 TRP 60 3.515 -20.955 2.565 480 HZ2 TRP 60 HZ2 TRP 60 2.244 -22.639 7.081 481 HZ3 TRP 60 HZ3 TRP 60 1.182 -21.799 2.990 482 HH2 TRP 60 HH2 TRP 60 0.543 -22.582 5.260 483 H SER 61 H SER 61 6.789 -16.456 3.617 484 HA SER 61 HA SER 61 3.894 -16.055 2.960 485 1HB SER 61 1HB SER 61 4.172 -13.861 4.037 486 2HB SER 61 2HB SER 61 4.611 -15.161 5.152 487 HG SER 61 HG SER 61 6.573 -13.906 3.560 488 H PHE 62 H PHE 62 4.212 -13.375 2.027 489 HA PHE 62 HA PHE 62 6.385 -13.129 0.178 490 1HB PHE 62 1HB PHE 62 4.328 -14.665 -0.834 491 2HB PHE 62 2HB PHE 62 3.879 -13.066 -1.393 492 HD1 PHE 62 HD1 PHE 62 6.447 -15.736 -1.444 493 HD2 PHE 62 HD2 PHE 62 5.307 -11.917 -3.101 494 HE1 PHE 62 HE1 PHE 62 8.211 -15.956 -3.106 495 HE2 PHE 62 HE2 PHE 62 7.036 -12.181 -4.823 496 HZ PHE 62 HZ PHE 62 8.580 -14.137 -4.782 497 H TYR 63 H TYR 63 6.697 -10.819 0.225 498 HA TYR 63 HA TYR 63 4.353 -9.068 0.312 499 1HB TYR 63 1HB TYR 63 4.799 -8.113 2.539 500 2HB TYR 63 2HB TYR 63 4.365 -9.821 2.589 501 HD1 TYR 63 HD1 TYR 63 7.267 -7.546 2.867 502 HD2 TYR 63 HD2 TYR 63 5.567 -11.416 3.717 503 HE1 TYR 63 HE1 TYR 63 8.973 -7.893 4.586 504 HE2 TYR 63 HE2 TYR 63 7.209 -11.743 5.500 505 HH TYR 63 HH TYR 63 8.942 -10.771 6.748 506 H LEU 64 H LEU 64 5.051 -6.786 0.930 507 HA LEU 64 HA LEU 64 7.716 -5.969 0.623 508 1HB LEU 64 1HB LEU 64 7.732 -4.880 -1.526 509 2HB LEU 64 2HB LEU 64 7.504 -6.606 -1.730 510 HG LEU 64 HG LEU 64 5.437 -4.452 -2.082 511 1HD1 LEU 64 1HD1 LEU 64 6.541 -6.492 -4.068 512 2HD1 LEU 64 2HD1 LEU 64 5.349 -5.241 -4.416 513 3HD1 LEU 64 3HD1 LEU 64 7.008 -4.772 -4.016 514 1HD2 LEU 64 1HD2 LEU 64 5.222 -7.483 -2.125 515 2HD2 LEU 64 2HD2 LEU 64 4.159 -6.319 -1.274 516 3HD2 LEU 64 3HD2 LEU 64 4.093 -6.494 -3.036 517 H LEU 65 H LEU 65 7.908 -3.723 0.910 518 HA LEU 65 HA LEU 65 5.544 -2.336 1.999 519 1HB LEU 65 1HB LEU 65 8.075 -2.851 2.995 520 2HB LEU 65 2HB LEU 65 8.317 -1.262 2.296 521 HG LEU 65 HG LEU 65 6.187 -2.023 4.323 522 1HD1 LEU 65 1HD1 LEU 65 8.820 -0.502 4.617 523 2HD1 LEU 65 2HD1 LEU 65 7.634 -0.775 5.914 524 3HD1 LEU 65 3HD1 LEU 65 8.513 -2.149 5.207 525 1HD2 LEU 65 1HD2 LEU 65 5.659 0.008 2.845 526 2HD2 LEU 65 2HD2 LEU 65 5.753 0.298 4.588 527 3HD2 LEU 65 3HD2 LEU 65 7.108 0.765 3.555 528 H TYR 66 H TYR 66 4.856 -0.424 0.959 529 HA TYR 66 HA TYR 66 6.335 0.425 -1.487 530 1HB TYR 66 1HB TYR 66 3.307 0.199 -1.401 531 2HB TYR 66 2HB TYR 66 4.363 0.357 -2.789 532 HD1 TYR 66 HD1 TYR 66 3.663 -2.043 0.099 533 HD2 TYR 66 HD2 TYR 66 4.474 -1.619 -4.134 534 HE1 TYR 66 HE1 TYR 66 2.709 -4.234 -0.310 535 HE2 TYR 66 HE2 TYR 66 3.341 -3.772 -4.531 536 HH TYR 66 HH TYR 66 1.956 -5.390 -3.613 537 H TYR 67 H TYR 67 7.032 2.282 -0.517 538 HA TYR 67 HA TYR 67 5.051 3.969 0.905 539 1HB TYR 67 1HB TYR 67 7.027 4.678 2.233 540 2HB TYR 67 2HB TYR 67 6.261 3.130 2.445 541 HD1 TYR 67 HD1 TYR 67 7.327 1.082 1.293 542 HD2 TYR 67 HD2 TYR 67 9.394 4.780 1.904 543 HE1 TYR 67 HE1 TYR 67 9.474 -0.081 0.881 544 HE2 TYR 67 HE2 TYR 67 11.562 3.562 1.827 545 HH TYR 67 HH TYR 67 11.782 0.140 0.779 546 H THR 68 H THR 68 4.839 5.919 0.539 547 HA THR 68 HA THR 68 6.636 7.459 -1.328 548 HB THR 68 HB THR 68 4.578 6.719 -2.371 549 HG1 THR 68 HG1 THR 68 5.656 8.538 -3.096 550 1HG2 THR 68 1HG2 THR 68 2.462 7.809 -1.882 551 2HG2 THR 68 2HG2 THR 68 3.009 7.004 -0.397 552 3HG2 THR 68 3HG2 THR 68 3.179 8.765 -0.580 553 H GLU 69 H GLU 69 6.852 9.717 -0.969 554 HA GLU 69 HA GLU 69 6.509 10.669 1.774 555 1HB GLU 69 1HB GLU 69 7.771 12.629 0.885 556 2HB GLU 69 2HB GLU 69 8.618 11.086 0.854 557 1HG GLU 69 1HG GLU 69 8.336 10.827 -1.519 558 2HG GLU 69 2HG GLU 69 7.265 12.231 -1.621 559 H PHE 70 H PHE 70 4.112 10.506 1.599 560 HA PHE 70 HA PHE 70 2.733 12.063 -0.341 561 1HB PHE 70 1HB PHE 70 0.769 11.341 0.596 562 2HB PHE 70 2HB PHE 70 1.849 10.026 1.019 563 HD1 PHE 70 HD1 PHE 70 2.918 10.283 3.397 564 HD2 PHE 70 HD2 PHE 70 -0.534 12.506 2.174 565 HE1 PHE 70 HE1 PHE 70 2.163 10.403 5.789 566 HE2 PHE 70 HE2 PHE 70 -0.939 13.111 4.527 567 HZ PHE 70 HZ PHE 70 0.235 11.844 6.360 568 H THR 71 H THR 71 2.076 14.014 -0.401 569 HA THR 71 HA THR 71 2.454 15.877 1.888 570 HB THR 71 HB THR 71 2.378 16.588 -1.013 571 HG1 THR 71 HG1 THR 71 4.078 15.145 -0.550 572 1HG2 THR 71 1HG2 THR 71 3.491 17.948 1.490 573 2HG2 THR 71 2HG2 THR 71 3.493 18.602 -0.157 574 3HG2 THR 71 3HG2 THR 71 1.963 18.412 0.723 575 HA PRO 72 HA PRO 72 -2.163 15.719 1.213 576 1HB PRO 72 1HB PRO 72 -3.006 16.250 3.727 577 2HB PRO 72 2HB PRO 72 -2.274 14.690 3.271 578 1HG PRO 72 1HG PRO 72 -0.929 17.042 4.616 579 2HG PRO 72 2HG PRO 72 -0.814 15.330 5.073 580 1HD PRO 72 1HD PRO 72 1.063 16.618 3.522 581 2HD PRO 72 2HD PRO 72 0.719 14.871 3.372 582 H THR 73 H THR 73 -1.567 17.577 -0.175 583 HA THR 73 HA THR 73 -1.452 20.272 0.747 584 HB THR 73 HB THR 73 -2.095 20.734 -1.695 585 HG1 THR 73 HG1 THR 73 -3.146 18.685 -1.987 586 1HG2 THR 73 1HG2 THR 73 0.289 18.900 -1.180 587 2HG2 THR 73 2HG2 THR 73 0.092 20.038 -2.528 588 3HG2 THR 73 3HG2 THR 73 0.252 20.650 -0.873 589 H GLU 74 H GLU 74 -3.009 21.039 2.003 590 HA GLU 74 HA GLU 74 -4.963 21.420 2.994 591 1HB GLU 74 1HB GLU 74 -5.018 22.984 1.042 592 2HB GLU 74 2HB GLU 74 -6.008 21.820 0.171 593 1HG GLU 74 1HG GLU 74 -7.356 22.096 2.639 594 2HG GLU 74 2HG GLU 74 -6.679 23.701 2.389 595 H LYS 75 H LYS 75 -7.403 20.523 0.848 596 HA LYS 75 HA LYS 75 -8.025 18.171 2.469 597 1HB LYS 75 1HB LYS 75 -9.606 20.062 2.020 598 2HB LYS 75 2HB LYS 75 -9.685 19.552 0.327 599 1HG LYS 75 1HG LYS 75 -10.597 17.356 1.044 600 2HG LYS 75 2HG LYS 75 -10.366 17.814 2.741 601 1HD LYS 75 1HD LYS 75 -12.048 19.607 2.499 602 2HD LYS 75 2HD LYS 75 -12.183 19.270 0.767 603 1HE LYS 75 1HE LYS 75 -14.063 18.263 1.978 604 2HE LYS 75 2HE LYS 75 -13.057 17.014 1.227 605 1HZ LYS 75 1HZ LYS 75 -12.984 17.808 4.056 606 2HZ LYS 75 2HZ LYS 75 -13.669 16.439 3.447 607 3HZ LYS 75 3HZ LYS 75 -12.040 16.648 3.363 608 H ASP 76 H ASP 76 -5.855 17.495 1.130 609 HA ASP 76 HA ASP 76 -6.658 15.755 -1.150 610 1HB ASP 76 1HB ASP 76 -4.127 16.839 -0.184 611 2HB ASP 76 2HB ASP 76 -4.063 15.080 -0.191 612 H GLU 77 H GLU 77 -6.940 13.585 -0.932 613 HA GLU 77 HA GLU 77 -6.303 12.241 1.652 614 1HB GLU 77 1HB GLU 77 -8.769 12.317 1.349 615 2HB GLU 77 2HB GLU 77 -8.594 11.567 -0.248 616 1HG GLU 77 1HG GLU 77 -7.598 9.547 0.822 617 2HG GLU 77 2HG GLU 77 -7.754 10.314 2.410 618 H TYR 78 H TYR 78 -5.111 10.387 1.351 619 HA TYR 78 HA TYR 78 -4.314 9.644 -1.431 620 1HB TYR 78 1HB TYR 78 -2.691 9.608 1.123 621 2HB TYR 78 2HB TYR 78 -2.312 8.597 -0.259 622 HD1 TYR 78 HD1 TYR 78 -0.551 9.391 -1.549 623 HD2 TYR 78 HD2 TYR 78 -3.116 12.226 0.442 624 HE1 TYR 78 HE1 TYR 78 0.804 11.273 -2.447 625 HE2 TYR 78 HE2 TYR 78 -1.846 14.078 -0.577 626 HH TYR 78 HH TYR 78 0.106 14.686 -1.649 627 H ALA 79 H ALA 79 -4.245 7.462 -1.919 628 HA ALA 79 HA ALA 79 -5.310 5.526 0.038 629 1HB ALA 79 1HB ALA 79 -6.440 5.976 -2.766 630 2HB ALA 79 2HB ALA 79 -6.976 4.748 -1.600 631 3HB ALA 79 3HB ALA 79 -7.249 6.470 -1.266 632 H CYS 80 H CYS 80 -5.256 3.315 -0.919 633 HA CYS 80 HA CYS 80 -2.893 2.846 -2.676 634 1HB CYS 80 1HB CYS 80 -3.375 1.853 0.150 635 2HB CYS 80 2HB CYS 80 -2.259 1.067 -0.978 636 H ARG 81 H ARG 81 -3.654 1.760 -4.327 637 HA ARG 81 HA ARG 81 -5.965 0.057 -4.393 638 1HB ARG 81 1HB ARG 81 -4.963 1.146 -6.376 639 2HB ARG 81 2HB ARG 81 -3.473 0.243 -6.090 640 1HG ARG 81 1HG ARG 81 -4.781 -1.904 -6.454 641 2HG ARG 81 2HG ARG 81 -6.155 -0.894 -6.936 642 1HD ARG 81 1HD ARG 81 -4.728 0.063 -8.768 643 2HD ARG 81 2HD ARG 81 -3.376 -0.932 -8.178 644 HE ARG 81 HE ARG 81 -5.766 -2.455 -8.796 645 1HH1 ARG 81 1HH2 ARG 81 -2.787 -1.125 -10.239 646 2HH1 ARG 81 2HH2 ARG 81 -2.613 -2.471 -11.348 647 1HH2 ARG 81 1HH1 ARG 81 -5.638 -4.045 -10.413 648 2HH2 ARG 81 2HH1 ARG 81 -4.250 -4.105 -11.470 649 H VAL 82 H VAL 82 -6.061 -2.296 -4.062 650 HA VAL 82 HA VAL 82 -3.469 -3.670 -3.656 651 HB VAL 82 HB VAL 82 -5.959 -4.225 -1.998 652 1HG1 VAL 82 1HG1 VAL 82 -4.406 -6.104 -2.391 653 2HG1 VAL 82 2HG1 VAL 82 -3.055 -5.105 -1.804 654 3HG1 VAL 82 3HG1 VAL 82 -4.370 -5.568 -0.699 655 1HG2 VAL 82 1HG2 VAL 82 -5.069 -1.998 -1.321 656 2HG2 VAL 82 2HG2 VAL 82 -4.781 -3.226 -0.097 657 3HG2 VAL 82 3HG2 VAL 82 -3.447 -2.710 -1.152 658 H ASN 83 H ASN 83 -3.358 -4.803 -5.503 659 HA ASN 83 HA ASN 83 -5.683 -6.531 -6.237 660 1HB ASN 83 1HB ASN 83 -5.518 -4.443 -7.638 661 2HB ASN 83 2HB ASN 83 -3.964 -5.016 -8.218 662 1HD2 ASN 83 2HD2 ASN 83 -4.002 -7.371 -9.131 663 2HD2 ASN 83 1HD2 ASN 83 -5.406 -7.802 -10.089 664 H HIS 84 H HIS 84 -4.451 -8.147 -5.005 665 HA HIS 84 HA HIS 84 -1.831 -9.113 -5.933 666 1HB HIS 84 1HB HIS 84 -2.628 -9.464 -3.639 667 2HB HIS 84 2HB HIS 84 -4.038 -10.318 -4.256 668 HD2 HIS 84 HD2 HIS 84 -0.093 -10.870 -4.421 669 HE1 HIS 84 HE1 HIS 84 -2.140 -14.582 -4.431 670 HE2 HIS 84 HE2 HIS 84 0.190 -13.461 -4.419 671 H VAL 85 H VAL 85 -1.722 -11.099 -7.292 672 HA VAL 85 HA VAL 85 -3.411 -11.185 -9.472 673 HB VAL 85 HB VAL 85 -1.205 -12.126 -9.453 674 1HG1 VAL 85 1HG1 VAL 85 -2.298 -14.450 -7.808 675 2HG1 VAL 85 2HG1 VAL 85 -0.692 -14.347 -8.546 676 3HG1 VAL 85 3HG1 VAL 85 -1.132 -13.226 -7.253 677 1HG2 VAL 85 1HG2 VAL 85 -3.226 -14.244 -10.237 678 2HG2 VAL 85 2HG2 VAL 85 -2.769 -12.821 -11.203 679 3HG2 VAL 85 3HG2 VAL 85 -1.567 -14.068 -10.837 680 H THR 86 H THR 86 -3.865 -12.941 -6.396 681 HA THR 86 HA THR 86 -6.045 -14.508 -7.509 682 HB THR 86 HB THR 86 -4.339 -15.105 -5.593 683 HG1 THR 86 HG1 THR 86 -5.854 -16.443 -6.590 684 1HG2 THR 86 1HG2 THR 86 -6.805 -14.352 -3.985 685 2HG2 THR 86 2HG2 THR 86 -5.264 -15.014 -3.405 686 3HG2 THR 86 3HG2 THR 86 -5.339 -13.347 -4.011 687 H LEU 87 H LEU 87 -5.824 -11.314 -6.063 688 HA LEU 87 HA LEU 87 -8.660 -11.133 -5.394 689 1HB LEU 87 1HB LEU 87 -6.342 -9.232 -5.627 690 2HB LEU 87 2HB LEU 87 -7.952 -8.599 -5.893 691 HG LEU 87 HG LEU 87 -8.729 -9.337 -3.736 692 1HD1 LEU 87 1HD1 LEU 87 -7.294 -11.370 -3.436 693 2HD1 LEU 87 2HD1 LEU 87 -5.895 -10.308 -3.193 694 3HD1 LEU 87 3HD1 LEU 87 -7.247 -10.272 -2.052 695 1HD2 LEU 87 1HD2 LEU 87 -7.686 -7.126 -3.972 696 2HD2 LEU 87 2HD2 LEU 87 -7.335 -7.794 -2.367 697 3HD2 LEU 87 3HD2 LEU 87 -6.086 -7.810 -3.628 698 H SER 88 H SER 88 -10.176 -11.336 -6.878 699 HA SER 88 HA SER 88 -9.752 -11.032 -9.711 700 1HB SER 88 1HB SER 88 -11.352 -12.623 -8.621 701 2HB SER 88 2HB SER 88 -12.348 -11.235 -8.135 702 HG SER 88 HG SER 88 -12.383 -10.715 -10.442 703 H GLN 89 H GLN 89 -10.000 -8.615 -7.340 704 HA GLN 89 HA GLN 89 -10.883 -6.633 -9.293 705 1HB GLN 89 1HB GLN 89 -12.480 -5.655 -7.722 706 2HB GLN 89 2HB GLN 89 -12.965 -7.286 -8.208 707 1HG GLN 89 1HG GLN 89 -12.098 -8.177 -6.060 708 2HG GLN 89 2HG GLN 89 -11.589 -6.544 -5.583 709 1HE2 GLN 89 2HE2 GLN 89 -13.074 -7.463 -3.717 710 2HE2 GLN 89 1HE2 GLN 89 -14.737 -6.921 -3.814 711 HA PRO 90 HA PRO 90 -7.694 -4.459 -7.012 712 1HB PRO 90 1HB PRO 90 -8.039 -1.900 -7.883 713 2HB PRO 90 2HB PRO 90 -7.538 -3.214 -8.988 714 1HG PRO 90 1HG PRO 90 -10.341 -2.142 -8.617 715 2HG PRO 90 2HG PRO 90 -9.442 -2.380 -10.139 716 1HD PRO 90 1HD PRO 90 -11.181 -4.252 -9.163 717 2HD PRO 90 2HD PRO 90 -9.690 -4.719 -10.033 718 H LYS 91 H LYS 91 -8.299 -4.733 -4.864 719 HA LYS 91 HA LYS 91 -10.655 -3.414 -3.746 720 1HB LYS 91 1HB LYS 91 -9.771 -5.745 -3.183 721 2HB LYS 91 2HB LYS 91 -8.485 -4.957 -2.273 722 1HG LYS 91 1HG LYS 91 -11.494 -4.817 -1.786 723 2HG LYS 91 2HG LYS 91 -10.274 -5.630 -0.795 724 1HD LYS 91 1HD LYS 91 -9.222 -3.364 -0.357 725 2HD LYS 91 2HD LYS 91 -10.622 -2.638 -1.192 726 1HE LYS 91 1HE LYS 91 -12.147 -3.712 0.431 727 2HE LYS 91 2HE LYS 91 -10.740 -4.313 1.333 728 1HZ LYS 91 1HZ LYS 91 -10.066 -2.070 1.685 729 2HZ LYS 91 2HZ LYS 91 -11.284 -1.482 0.753 730 3HZ LYS 91 3HZ LYS 91 -11.629 -2.230 2.185 731 H ILE 92 H ILE 92 -10.371 -1.166 -3.667 732 HA ILE 92 HA ILE 92 -7.774 -0.033 -3.103 733 HB ILE 92 HB ILE 92 -10.400 1.462 -3.182 734 1HG1 ILE 92 1HG1 ILE 92 -10.453 0.215 -5.230 735 2HG1 ILE 92 2HG1 ILE 92 -10.002 1.876 -5.582 736 1HG2 ILE 92 1HG2 ILE 92 -7.495 2.211 -3.743 737 2HG2 ILE 92 2HG2 ILE 92 -8.887 3.275 -4.032 738 3HG2 ILE 92 3HG2 ILE 92 -8.500 2.751 -2.388 739 1HD1 ILE 92 1HD1 ILE 92 -7.616 1.194 -5.794 740 2HD1 ILE 92 2HD1 ILE 92 -8.083 -0.492 -5.461 741 3HD1 ILE 92 3HD1 ILE 92 -8.676 0.325 -6.913 742 H VAL 93 H VAL 93 -7.061 0.963 -1.274 743 HA VAL 93 HA VAL 93 -8.741 0.865 1.201 744 HB VAL 93 HB VAL 93 -5.773 0.241 0.855 745 1HG1 VAL 93 1HG1 VAL 93 -6.104 1.443 2.961 746 2HG1 VAL 93 2HG1 VAL 93 -7.504 0.426 3.361 747 3HG1 VAL 93 3HG1 VAL 93 -5.873 -0.273 3.306 748 1HG2 VAL 93 1HG2 VAL 93 -7.234 -1.642 0.176 749 2HG2 VAL 93 2HG2 VAL 93 -6.388 -1.979 1.687 750 3HG2 VAL 93 3HG2 VAL 93 -8.100 -1.523 1.726 751 H LYS 94 H LYS 94 -9.326 3.022 1.298 752 HA LYS 94 HA LYS 94 -7.470 5.160 0.733 753 1HB LYS 94 1HB LYS 94 -9.094 6.638 1.491 754 2HB LYS 94 2HB LYS 94 -9.985 5.351 0.666 755 1HG LYS 94 1HG LYS 94 -10.448 4.336 2.958 756 2HG LYS 94 2HG LYS 94 -9.631 5.745 3.667 757 1HD LYS 94 1HD LYS 94 -11.294 7.219 2.402 758 2HD LYS 94 2HD LYS 94 -12.170 5.733 2.000 759 1HE LYS 94 1HE LYS 94 -13.195 6.717 3.961 760 2HE LYS 94 2HE LYS 94 -12.358 5.241 4.472 761 1HZ LYS 94 1HZ LYS 94 -10.567 6.603 5.264 762 2HZ LYS 94 2HZ LYS 94 -11.292 7.975 4.712 763 3HZ LYS 94 3HZ LYS 94 -11.978 7.110 5.939 764 H TRP 95 H TRP 95 -6.104 6.249 2.145 765 HA TRP 95 HA TRP 95 -5.498 4.891 4.707 766 1HB TRP 95 1HB TRP 95 -3.550 5.373 3.531 767 2HB TRP 95 2HB TRP 95 -4.155 6.895 2.944 768 HD1 TRP 95 HD1 TRP 95 -3.018 5.509 6.394 769 HE1 TRP 95 HE1 TRP 95 -2.013 7.494 7.723 770 HE3 TRP 95 HE3 TRP 95 -3.635 9.175 2.963 771 HZ2 TRP 95 HZ2 TRP 95 -2.027 10.420 7.501 772 HZ3 TRP 95 HZ3 TRP 95 -2.999 11.537 3.482 773 HH2 TRP 95 HH2 TRP 95 -2.423 12.151 5.804 774 H ASP 96 H ASP 96 -6.514 5.497 6.516 775 HA ASP 96 HA ASP 96 -7.843 8.112 6.796 776 1HB ASP 96 1HB ASP 96 -8.579 7.236 8.939 777 2HB ASP 96 2HB ASP 96 -8.940 6.070 7.662 778 H ARG 97 H ARG 97 -7.305 9.402 8.753 779 HA ARG 97 HA ARG 97 -4.673 10.304 8.659 780 1HB ARG 97 1HB ARG 97 -6.840 10.634 10.768 781 2HB ARG 97 2HB ARG 97 -5.320 11.523 10.828 782 1HG ARG 97 1HG ARG 97 -7.129 11.608 8.375 783 2HG ARG 97 2HG ARG 97 -7.428 12.636 9.778 784 1HD ARG 97 1HD ARG 97 -4.816 12.602 8.224 785 2HD ARG 97 2HD ARG 97 -6.132 13.740 7.965 786 HE ARG 97 HE ARG 97 -4.521 13.442 10.485 787 1HH1 ARG 97 1HH2 ARG 97 -6.262 15.652 8.277 788 2HH1 ARG 97 2HH2 ARG 97 -5.960 17.036 9.289 789 1HH2 ARG 97 1HH1 ARG 97 -4.165 15.256 11.746 790 2HH2 ARG 97 2HH1 ARG 97 -4.791 16.815 11.268 791 H ASP 98 H ASP 98 -5.867 9.193 11.786 792 HA ASP 98 HA ASP 98 -3.877 7.204 12.326 793 1HB ASP 98 1HB ASP 98 -2.429 9.211 12.257 794 2HB ASP 98 2HB ASP 98 -3.468 10.028 13.428 795 H MET 99 H MET 99 -6.279 6.580 12.682 796 HA MET 99 HA MET 99 -6.982 6.890 15.511 797 1HB MET 99 1HB MET 99 -7.936 8.926 14.437 798 2HB MET 99 2HB MET 99 -8.780 7.909 13.262 799 1HG MET 99 1HG MET 99 -10.316 8.608 14.969 800 2HG MET 99 2HG MET 99 -10.067 6.871 15.136 801 1HE MET 99 1HE MET 99 -11.257 6.960 17.498 802 2HE MET 99 2HE MET 99 -10.787 8.080 18.797 803 3HE MET 99 3HE MET 99 -11.497 8.713 17.295 Start of MODEL 18 1 1H MET 0 1H MET 0 -10.758 -20.780 0.738 2 2H MET 0 2H MET 0 -9.319 -20.952 1.519 3 3H MET 0 3H MET 0 -9.377 -20.186 0.061 4 HA MET 0 HA MET 0 -9.999 -23.003 0.547 5 1HB MET 0 1HB MET 0 -9.858 -21.429 -2.060 6 2HB MET 0 2HB MET 0 -9.961 -23.197 -1.940 7 1HG MET 0 1HG MET 0 -12.106 -22.994 -0.734 8 2HG MET 0 2HG MET 0 -12.020 -21.230 -0.852 9 1HE MET 0 1HE MET 0 -14.486 -21.241 -1.806 10 2HE MET 0 2HE MET 0 -14.981 -22.208 -3.214 11 3HE MET 0 3HE MET 0 -14.500 -23.018 -1.706 12 H ILE 1 H ILE 1 -7.822 -21.282 -1.725 13 HA ILE 1 HA ILE 1 -5.485 -22.156 -0.187 14 HB ILE 1 HB ILE 1 -5.903 -23.898 -1.872 15 1HG1 ILE 1 1HG1 ILE 1 -3.754 -24.147 -2.805 16 2HG1 ILE 1 2HG1 ILE 1 -3.369 -22.436 -2.697 17 1HG2 ILE 1 1HG2 ILE 1 -5.442 -21.696 -3.919 18 2HG2 ILE 1 2HG2 ILE 1 -5.629 -23.430 -4.252 19 3HG2 ILE 1 3HG2 ILE 1 -6.989 -22.507 -3.590 20 1HD1 ILE 1 1HD1 ILE 1 -3.871 -24.243 -0.288 21 2HD1 ILE 1 2HD1 ILE 1 -2.270 -23.865 -0.959 22 3HD1 ILE 1 3HD1 ILE 1 -3.250 -22.571 -0.256 23 H GLN 2 H GLN 2 -7.018 -19.666 -0.596 24 HA GLN 2 HA GLN 2 -5.250 -17.943 -2.211 25 1HB GLN 2 1HB GLN 2 -7.802 -17.352 -0.655 26 2HB GLN 2 2HB GLN 2 -6.889 -16.224 -1.669 27 1HG GLN 2 1HG GLN 2 -7.217 -17.941 -3.577 28 2HG GLN 2 2HG GLN 2 -8.434 -18.698 -2.547 29 1HE2 GLN 2 2HE2 GLN 2 -8.882 -17.461 -5.146 30 2HE2 GLN 2 1HE2 GLN 2 -9.963 -16.107 -4.893 31 H ARG 3 H ARG 3 -3.308 -17.521 -1.129 32 HA ARG 3 HA ARG 3 -3.284 -16.867 1.735 33 1HB ARG 3 1HB ARG 3 -1.309 -17.007 -0.516 34 2HB ARG 3 2HB ARG 3 -0.906 -16.027 0.879 35 1HG ARG 3 1HG ARG 3 -1.826 -18.819 1.460 36 2HG ARG 3 2HG ARG 3 -0.217 -18.582 0.767 37 1HD ARG 3 1HD ARG 3 -0.002 -18.593 3.181 38 2HD ARG 3 2HD ARG 3 0.428 -17.032 2.516 39 HE ARG 3 HE ARG 3 -1.351 -16.022 3.551 40 1HH1 ARG 3 1HH2 ARG 3 -1.707 -19.546 3.820 41 2HH1 ARG 3 2HH2 ARG 3 -2.975 -19.467 5.013 42 1HH2 ARG 3 1HH1 ARG 3 -3.070 -15.931 5.098 43 2HH2 ARG 3 2HH1 ARG 3 -3.766 -17.405 5.722 44 H THR 4 H THR 4 -4.335 -15.067 2.269 45 HA THR 4 HA THR 4 -5.088 -13.122 0.345 46 HB THR 4 HB THR 4 -5.423 -13.105 3.372 47 HG1 THR 4 HG1 THR 4 -7.378 -14.171 2.865 48 1HG2 THR 4 1HG2 THR 4 -7.116 -11.829 1.175 49 2HG2 THR 4 2HG2 THR 4 -7.487 -11.838 2.907 50 3HG2 THR 4 3HG2 THR 4 -6.073 -10.949 2.322 51 HA PRO 5 HA PRO 5 -1.730 -10.175 1.265 52 1HB PRO 5 1HB PRO 5 -2.726 -7.920 0.072 53 2HB PRO 5 2HB PRO 5 -2.076 -9.307 -0.849 54 1HG PRO 5 1HG PRO 5 -4.971 -8.715 -0.188 55 2HG PRO 5 2HG PRO 5 -4.269 -9.123 -1.779 56 1HD PRO 5 1HD PRO 5 -5.448 -10.997 -0.209 57 2HD PRO 5 2HD PRO 5 -3.990 -11.402 -1.163 58 H LYS 6 H LYS 6 -1.678 -9.868 3.442 59 HA LYS 6 HA LYS 6 -3.759 -8.426 4.904 60 1HB LYS 6 1HB LYS 6 -2.322 -10.278 5.866 61 2HB LYS 6 2HB LYS 6 -0.951 -9.155 5.810 62 1HG LYS 6 1HG LYS 6 -2.501 -7.504 7.080 63 2HG LYS 6 2HG LYS 6 -3.543 -8.898 7.380 64 1HD LYS 6 1HD LYS 6 -0.598 -8.645 8.170 65 2HD LYS 6 2HD LYS 6 -1.981 -8.411 9.251 66 1HE LYS 6 1HE LYS 6 -2.696 -10.781 8.794 67 2HE LYS 6 2HE LYS 6 -1.219 -11.009 7.836 68 1HZ LYS 6 1HZ LYS 6 0.049 -10.495 9.795 69 2HZ LYS 6 2HZ LYS 6 -1.328 -10.322 10.686 70 3HZ LYS 6 3HZ LYS 6 -0.939 -11.791 10.046 71 H ILE 7 H ILE 7 -3.916 -6.419 3.989 72 HA ILE 7 HA ILE 7 -1.604 -4.736 3.450 73 HB ILE 7 HB ILE 7 -3.141 -3.149 2.617 74 1HG1 ILE 7 1HG1 ILE 7 -5.017 -3.179 4.138 75 2HG1 ILE 7 2HG1 ILE 7 -5.511 -3.378 2.473 76 1HG2 ILE 7 1HG2 ILE 7 -3.668 -5.992 1.698 77 2HG2 ILE 7 2HG2 ILE 7 -4.328 -4.573 0.891 78 3HG2 ILE 7 3HG2 ILE 7 -2.580 -4.764 1.026 79 1HD1 ILE 7 1HD1 ILE 7 -5.763 -5.867 2.884 80 2HD1 ILE 7 2HD1 ILE 7 -5.513 -5.522 4.619 81 3HD1 ILE 7 3HD1 ILE 7 -6.879 -4.811 3.763 82 H GLN 8 H GLN 8 -0.753 -3.136 4.829 83 HA GLN 8 HA GLN 8 -2.591 -1.894 6.765 84 1HB GLN 8 1HB GLN 8 -0.508 -1.745 8.209 85 2HB GLN 8 2HB GLN 8 -1.482 -3.212 8.273 86 1HG GLN 8 1HG GLN 8 1.035 -2.956 6.607 87 2HG GLN 8 2HG GLN 8 1.069 -3.478 8.290 88 1HE2 GLN 8 2HE2 GLN 8 1.766 -4.872 5.673 89 2HE2 GLN 8 1HE2 GLN 8 0.833 -6.357 5.714 90 H VAL 9 H VAL 9 -2.868 -0.014 5.795 91 HA VAL 9 HA VAL 9 -0.645 1.407 4.456 92 HB VAL 9 HB VAL 9 -3.615 2.041 4.521 93 1HG1 VAL 9 1HG1 VAL 9 -1.343 3.049 2.764 94 2HG1 VAL 9 2HG1 VAL 9 -3.060 3.455 2.566 95 3HG1 VAL 9 3HG1 VAL 9 -2.187 3.993 4.005 96 1HG2 VAL 9 1HG2 VAL 9 -1.964 0.601 2.390 97 2HG2 VAL 9 2HG2 VAL 9 -3.239 -0.137 3.382 98 3HG2 VAL 9 3HG2 VAL 9 -3.652 1.124 2.215 99 H TYR 10 H TYR 10 0.543 2.059 6.274 100 HA TYR 10 HA TYR 10 -0.877 3.755 8.291 101 1HB TYR 10 1HB TYR 10 1.055 3.279 9.740 102 2HB TYR 10 2HB TYR 10 0.067 1.894 9.313 103 HD1 TYR 10 HD1 TYR 10 0.981 -0.007 8.217 104 HD2 TYR 10 HD2 TYR 10 3.349 3.564 8.638 105 HE1 TYR 10 HE1 TYR 10 3.009 -1.279 7.623 106 HE2 TYR 10 HE2 TYR 10 5.361 2.298 7.959 107 HH TYR 10 HH TYR 10 5.256 -1.164 7.081 108 H SER 11 H SER 11 0.186 5.556 9.162 109 HA SER 11 HA SER 11 1.704 7.176 7.213 110 1HB SER 11 1HB SER 11 -0.356 8.074 8.304 111 2HB SER 11 2HB SER 11 0.457 7.968 9.871 112 HG SER 11 HG SER 11 1.395 9.417 7.615 113 H ARG 12 H ARG 12 3.323 8.679 8.481 114 HA ARG 12 HA ARG 12 5.032 7.123 10.404 115 1HB ARG 12 1HB ARG 12 5.641 8.483 7.840 116 2HB ARG 12 2HB ARG 12 6.703 8.954 9.163 117 1HG ARG 12 1HG ARG 12 7.699 7.152 7.958 118 2HG ARG 12 2HG ARG 12 7.320 6.651 9.612 119 1HD ARG 12 1HD ARG 12 5.380 5.360 8.814 120 2HD ARG 12 2HD ARG 12 5.569 6.034 7.194 121 HE ARG 12 HE ARG 12 7.247 4.558 6.733 122 1HH1 ARG 12 1HH2 ARG 12 6.731 4.476 10.245 123 2HH1 ARG 12 2HH2 ARG 12 7.680 3.028 10.463 124 1HH2 ARG 12 1HH1 ARG 12 8.351 2.627 7.008 125 2HH2 ARG 12 2HH1 ARG 12 8.658 1.990 8.605 126 H HIS 13 H HIS 13 4.666 10.450 9.120 127 HA HIS 13 HA HIS 13 5.207 11.564 11.797 128 1HB HIS 13 1HB HIS 13 4.964 12.939 9.092 129 2HB HIS 13 2HB HIS 13 5.702 13.591 10.549 130 HD2 HIS 13 HD2 HIS 13 6.860 12.086 7.378 131 HE1 HIS 13 HE1 HIS 13 9.762 10.886 10.202 132 HE2 HIS 13 HE2 HIS 13 9.246 11.073 7.708 133 HA PRO 14 HA PRO 14 0.934 12.723 12.331 134 1HB PRO 14 1HB PRO 14 0.976 15.267 13.365 135 2HB PRO 14 2HB PRO 14 1.452 13.816 14.292 136 1HG PRO 14 1HG PRO 14 3.258 15.764 12.850 137 2HG PRO 14 2HG PRO 14 3.442 15.110 14.502 138 1HD PRO 14 1HD PRO 14 4.785 14.103 12.379 139 2HD PRO 14 2HD PRO 14 4.211 13.011 13.653 140 H ALA 15 H ALA 15 -0.411 13.165 10.662 141 HA ALA 15 HA ALA 15 0.467 14.292 8.268 142 1HB ALA 15 1HB ALA 15 -2.378 13.878 9.268 143 2HB ALA 15 2HB ALA 15 -1.900 14.128 7.571 144 3HB ALA 15 3HB ALA 15 -1.367 12.680 8.447 145 H GLU 16 H GLU 16 0.765 16.293 7.609 146 HA GLU 16 HA GLU 16 -0.276 18.581 9.200 147 1HB GLU 16 1HB GLU 16 2.084 19.413 9.180 148 2HB GLU 16 2HB GLU 16 1.788 17.977 10.167 149 1HG GLU 16 1HG GLU 16 2.709 16.534 8.307 150 2HG GLU 16 2HG GLU 16 3.108 18.008 7.431 151 H ASN 17 H ASN 17 -0.880 20.280 8.087 152 HA ASN 17 HA ASN 17 -1.695 20.051 5.513 153 1HB ASN 17 1HB ASN 17 -2.610 21.625 7.153 154 2HB ASN 17 2HB ASN 17 -1.154 22.619 7.030 155 1HD2 ASN 17 2HD2 ASN 17 -3.855 21.258 5.053 156 2HD2 ASN 17 1HD2 ASN 17 -3.923 22.603 3.935 157 H GLY 18 H GLY 18 -0.378 19.650 3.794 158 1HA GLY 18 1HA GLY 18 0.812 20.164 1.969 159 2HA GLY 18 2HA GLY 18 0.787 21.856 2.483 160 H LYS 19 H LYS 19 2.198 19.091 4.274 161 HA LYS 19 HA LYS 19 4.926 19.777 3.426 162 1HB LYS 19 1HB LYS 19 4.500 21.145 5.412 163 2HB LYS 19 2HB LYS 19 4.038 19.684 6.294 164 1HG LYS 19 1HG LYS 19 6.842 20.226 5.221 165 2HG LYS 19 2HG LYS 19 6.279 20.568 6.864 166 1HD LYS 19 1HD LYS 19 5.532 17.980 6.740 167 2HD LYS 19 2HD LYS 19 6.899 17.933 5.605 168 1HE LYS 19 1HE LYS 19 8.421 18.687 7.299 169 2HE LYS 19 2HE LYS 19 7.093 18.967 8.448 170 1HZ LYS 19 1HZ LYS 19 7.664 16.341 7.279 171 2HZ LYS 19 2HZ LYS 19 8.241 16.842 8.748 172 3HZ LYS 19 3HZ LYS 19 6.617 16.701 8.497 173 H SER 20 H SER 20 5.889 18.063 3.067 174 HA SER 20 HA SER 20 4.894 15.677 2.662 175 1HB SER 20 1HB SER 20 7.187 14.658 2.701 176 2HB SER 20 2HB SER 20 6.841 16.045 1.668 177 HG SER 20 HG SER 20 8.835 16.228 2.829 178 H ASN 21 H ASN 21 4.144 14.084 3.816 179 HA ASN 21 HA ASN 21 4.944 13.380 6.589 180 1HB ASN 21 1HB ASN 21 2.557 13.852 6.028 181 2HB ASN 21 2HB ASN 21 2.560 12.489 4.928 182 1HD2 ASN 21 2HD2 ASN 21 0.648 12.375 6.750 183 2HD2 ASN 21 1HD2 ASN 21 1.048 11.308 8.088 184 H PHE 22 H PHE 22 4.022 10.512 5.945 185 HA PHE 22 HA PHE 22 5.545 9.681 3.647 186 1HB PHE 22 1HB PHE 22 6.818 9.558 6.224 187 2HB PHE 22 2HB PHE 22 6.451 7.910 5.711 188 HD1 PHE 22 HD1 PHE 22 7.209 7.114 3.424 189 HD2 PHE 22 HD2 PHE 22 8.606 10.782 5.204 190 HE1 PHE 22 HE1 PHE 22 9.166 7.108 1.902 191 HE2 PHE 22 HE2 PHE 22 10.574 10.760 3.700 192 HZ PHE 22 HZ PHE 22 10.848 8.937 2.033 193 H LEU 23 H LEU 23 4.244 8.386 2.657 194 HA LEU 23 HA LEU 23 2.080 6.912 4.055 195 1HB LEU 23 1HB LEU 23 1.493 8.256 2.106 196 2HB LEU 23 2HB LEU 23 2.693 7.446 1.150 197 HG LEU 23 HG LEU 23 1.430 5.366 1.248 198 1HD1 LEU 23 1HD1 LEU 23 -0.473 6.903 3.064 199 2HD1 LEU 23 2HD1 LEU 23 -0.896 5.402 2.234 200 3HD1 LEU 23 3HD1 LEU 23 0.403 5.407 3.439 201 1HD2 LEU 23 1HD2 LEU 23 0.890 7.093 -0.480 202 2HD2 LEU 23 2HD2 LEU 23 -0.543 6.141 -0.048 203 3HD2 LEU 23 3HD2 LEU 23 -0.338 7.781 0.596 204 H ASN 24 H ASN 24 2.417 4.805 4.526 205 HA ASN 24 HA ASN 24 4.370 3.210 2.897 206 1HB ASN 24 1HB ASN 24 3.999 3.426 5.877 207 2HB ASN 24 2HB ASN 24 4.544 1.919 5.111 208 1HD2 ASN 24 2HD2 ASN 24 5.423 5.373 4.377 209 2HD2 ASN 24 1HD2 ASN 24 7.137 5.106 4.579 210 H CYS 25 H CYS 25 2.801 2.361 1.576 211 HA CYS 25 HA CYS 25 0.611 0.772 2.767 212 1HB CYS 25 1HB CYS 25 1.540 0.639 -0.106 213 2HB CYS 25 2HB CYS 25 0.031 0.095 0.608 214 H TYR 26 H TYR 26 1.533 -0.865 3.997 215 HA TYR 26 HA TYR 26 3.701 -2.517 2.767 216 1HB TYR 26 1HB TYR 26 4.208 -1.618 4.972 217 2HB TYR 26 2HB TYR 26 2.681 -2.170 5.578 218 HD1 TYR 26 HD1 TYR 26 3.491 -3.505 7.404 219 HD2 TYR 26 HD2 TYR 26 5.012 -4.215 3.431 220 HE1 TYR 26 HE1 TYR 26 4.231 -5.753 8.090 221 HE2 TYR 26 HE2 TYR 26 5.722 -6.464 4.107 222 HH TYR 26 HH TYR 26 5.358 -7.681 7.458 223 H VAL 27 H VAL 27 3.142 -4.597 2.105 224 HA VAL 27 HA VAL 27 0.475 -5.635 2.941 225 HB VAL 27 HB VAL 27 1.687 -5.947 0.147 226 1HG1 VAL 27 1HG1 VAL 27 -1.115 -6.475 1.238 227 2HG1 VAL 27 2HG1 VAL 27 -0.527 -6.824 -0.407 228 3HG1 VAL 27 3HG1 VAL 27 0.093 -7.725 0.984 229 1HG2 VAL 27 1HG2 VAL 27 1.133 -3.645 0.290 230 2HG2 VAL 27 2HG2 VAL 27 -0.191 -4.462 -0.571 231 3HG2 VAL 27 3HG2 VAL 27 -0.392 -4.000 1.142 232 H SER 28 H SER 28 0.592 -7.891 3.518 233 HA SER 28 HA SER 28 2.801 -9.383 2.480 234 1HB SER 28 1HB SER 28 4.305 -8.921 4.182 235 2HB SER 28 2HB SER 28 3.138 -8.089 5.104 236 HG SER 28 HG SER 28 3.945 -9.898 6.185 237 H GLY 29 H GLY 29 2.938 -11.658 3.317 238 1HA GLY 29 1HA GLY 29 2.022 -13.569 4.177 239 2HA GLY 29 2HA GLY 29 0.564 -12.696 4.662 240 H PHE 30 H PHE 30 1.148 -11.983 1.413 241 HA PHE 30 HA PHE 30 -0.779 -13.967 0.451 242 1HB PHE 30 1HB PHE 30 -0.912 -12.625 -1.513 243 2HB PHE 30 2HB PHE 30 -1.167 -11.705 -0.080 244 HD1 PHE 30 HD1 PHE 30 0.414 -9.883 0.620 245 HD2 PHE 30 HD2 PHE 30 1.057 -12.233 -2.950 246 HE1 PHE 30 HE1 PHE 30 2.110 -8.274 -0.165 247 HE2 PHE 30 HE2 PHE 30 2.597 -10.518 -3.798 248 HZ PHE 30 HZ PHE 30 3.071 -8.526 -2.449 249 H HIS 31 H HIS 31 -0.241 -15.102 -1.707 250 HA HIS 31 HA HIS 31 2.624 -15.117 -2.507 251 1HB HIS 31 1HB HIS 31 2.972 -17.343 -2.404 252 2HB HIS 31 2HB HIS 31 1.995 -17.167 -0.955 253 HD2 HIS 31 HD2 HIS 31 1.683 -18.391 -4.672 254 HE1 HIS 31 HE1 HIS 31 -1.425 -20.189 -2.427 255 HE2 HIS 31 HE2 HIS 31 -0.304 -20.127 -4.721 256 HA PRO 32 HA PRO 32 3.621 -16.073 -4.328 257 1HB PRO 32 1HB PRO 32 4.326 -16.060 -6.910 258 2HB PRO 32 2HB PRO 32 3.215 -17.292 -6.301 259 1HG PRO 32 1HG PRO 32 2.407 -14.719 -7.699 260 2HG PRO 32 2HG PRO 32 1.931 -16.387 -8.118 261 1HD PRO 32 1HD PRO 32 0.428 -14.733 -6.477 262 2HD PRO 32 2HD PRO 32 0.437 -16.511 -6.322 263 H SER 33 H SER 33 4.426 -14.185 -6.942 264 HA SER 33 HA SER 33 5.224 -11.956 -5.220 265 1HB SER 33 1HB SER 33 6.911 -11.636 -6.835 266 2HB SER 33 2HB SER 33 6.792 -13.373 -6.504 267 HG SER 33 HG SER 33 5.721 -12.011 -8.745 268 H ASP 34 H ASP 34 2.504 -12.505 -7.055 269 HA ASP 34 HA ASP 34 2.815 -10.321 -9.001 270 1HB ASP 34 1HB ASP 34 2.568 -12.615 -9.752 271 2HB ASP 34 2HB ASP 34 1.035 -12.779 -8.886 272 H ILE 35 H ILE 35 2.221 -8.605 -7.563 273 HA ILE 35 HA ILE 35 -0.720 -8.168 -7.433 274 HB ILE 35 HB ILE 35 0.043 -8.863 -5.337 275 1HG1 ILE 35 1HG1 ILE 35 -0.289 -5.873 -5.088 276 2HG1 ILE 35 2HG1 ILE 35 -1.614 -7.002 -5.319 277 1HG2 ILE 35 1HG2 ILE 35 2.190 -6.809 -5.651 278 2HG2 ILE 35 2HG2 ILE 35 1.770 -7.502 -4.072 279 3HG2 ILE 35 3HG2 ILE 35 2.340 -8.564 -5.354 280 1HD1 ILE 35 1HD1 ILE 35 -0.616 -8.241 -3.222 281 2HD1 ILE 35 2HD1 ILE 35 0.187 -6.691 -2.908 282 3HD1 ILE 35 3HD1 ILE 35 -1.574 -6.762 -3.000 283 H GLU 36 H GLU 36 -1.357 -5.926 -7.322 284 HA GLU 36 HA GLU 36 0.527 -3.929 -8.498 285 1HB GLU 36 1HB GLU 36 -2.481 -3.782 -8.700 286 2HB GLU 36 2HB GLU 36 -1.247 -2.917 -9.599 287 1HG GLU 36 1HG GLU 36 -0.499 -5.171 -10.520 288 2HG GLU 36 2HG GLU 36 -1.950 -5.864 -9.826 289 H VAL 37 H VAL 37 1.006 -2.283 -7.070 290 HA VAL 37 HA VAL 37 -1.103 -1.256 -5.291 291 HB VAL 37 HB VAL 37 1.652 -1.925 -4.235 292 1HG1 VAL 37 1HG1 VAL 37 -0.800 -0.944 -2.724 293 2HG1 VAL 37 2HG1 VAL 37 0.736 -1.422 -2.010 294 3HG1 VAL 37 3HG1 VAL 37 0.663 0.004 -3.048 295 1HG2 VAL 37 1HG2 VAL 37 -1.031 -3.319 -3.786 296 2HG2 VAL 37 2HG2 VAL 37 0.430 -3.980 -4.544 297 3HG2 VAL 37 3HG2 VAL 37 0.418 -3.624 -2.817 298 H ASP 38 H ASP 38 -1.016 0.104 -7.237 299 HA ASP 38 HA ASP 38 1.025 2.189 -7.292 300 1HB ASP 38 1HB ASP 38 -1.821 2.195 -8.415 301 2HB ASP 38 2HB ASP 38 -0.571 3.398 -8.694 302 H LEU 39 H LEU 39 0.667 4.335 -6.494 303 HA LEU 39 HA LEU 39 -1.104 4.463 -4.089 304 1HB LEU 39 1HB LEU 39 1.575 5.788 -4.633 305 2HB LEU 39 2HB LEU 39 0.544 5.960 -3.188 306 HG LEU 39 HG LEU 39 0.795 3.270 -3.202 307 1HD1 LEU 39 1HD1 LEU 39 2.281 3.127 -5.182 308 2HD1 LEU 39 2HD1 LEU 39 3.412 4.252 -4.406 309 3HD1 LEU 39 3HD1 LEU 39 3.132 2.643 -3.714 310 1HD2 LEU 39 1HD2 LEU 39 1.343 4.762 -1.324 311 2HD2 LEU 39 2HD2 LEU 39 2.585 3.523 -1.546 312 3HD2 LEU 39 3HD2 LEU 39 2.886 5.184 -2.101 313 H LEU 40 H LEU 40 -2.526 6.187 -3.998 314 HA LEU 40 HA LEU 40 -2.803 7.736 -6.533 315 1HB LEU 40 1HB LEU 40 -3.725 5.222 -6.224 316 2HB LEU 40 2HB LEU 40 -5.022 6.060 -5.399 317 HG LEU 40 HG LEU 40 -5.577 5.554 -7.679 318 1HD1 LEU 40 1HD1 LEU 40 -5.162 8.558 -7.427 319 2HD1 LEU 40 2HD1 LEU 40 -6.295 7.723 -8.504 320 3HD1 LEU 40 3HD1 LEU 40 -6.515 7.618 -6.750 321 1HD2 LEU 40 1HD2 LEU 40 -3.231 5.538 -8.571 322 2HD2 LEU 40 2HD2 LEU 40 -4.422 6.333 -9.615 323 3HD2 LEU 40 3HD2 LEU 40 -3.305 7.312 -8.655 324 H LYS 41 H LYS 41 -3.380 9.843 -6.056 325 HA LYS 41 HA LYS 41 -4.558 10.547 -3.487 326 1HB LYS 41 1HB LYS 41 -4.090 12.292 -5.896 327 2HB LYS 41 2HB LYS 41 -4.543 12.785 -4.253 328 1HG LYS 41 1HG LYS 41 -2.435 13.088 -3.831 329 2HG LYS 41 2HG LYS 41 -2.417 11.337 -3.630 330 1HD LYS 41 1HD LYS 41 -0.528 11.986 -4.925 331 2HD LYS 41 2HD LYS 41 -1.621 11.031 -5.909 332 1HE LYS 41 1HE LYS 41 -0.763 12.834 -7.255 333 2HE LYS 41 2HE LYS 41 -2.448 13.218 -6.928 334 1HZ LYS 41 1HZ LYS 41 -0.097 14.344 -5.594 335 2HZ LYS 41 2HZ LYS 41 -1.075 15.070 -6.709 336 3HZ LYS 41 3HZ LYS 41 -1.664 14.706 -5.205 337 H ASN 42 H ASN 42 -6.219 12.583 -5.121 338 HA ASN 42 HA ASN 42 -8.775 11.321 -4.915 339 1HB ASN 42 1HB ASN 42 -9.632 13.389 -5.787 340 2HB ASN 42 2HB ASN 42 -8.257 13.845 -4.777 341 1HD2 ASN 42 2HD2 ASN 42 -6.036 13.986 -6.120 342 2HD2 ASN 42 1HD2 ASN 42 -6.175 14.697 -7.707 343 H GLY 43 H GLY 43 -6.640 11.936 -7.714 344 1HA GLY 43 1HA GLY 43 -7.594 9.658 -9.170 345 2HA GLY 43 2HA GLY 43 -8.352 11.144 -9.776 346 H GLU 44 H GLU 44 -5.110 10.757 -8.379 347 HA GLU 44 HA GLU 44 -3.665 10.999 -10.921 348 1HB GLU 44 1HB GLU 44 -4.265 13.316 -10.350 349 2HB GLU 44 2HB GLU 44 -3.708 13.093 -8.700 350 1HG GLU 44 1HG GLU 44 -1.358 12.730 -9.626 351 2HG GLU 44 2HG GLU 44 -2.003 13.131 -11.224 352 H ARG 45 H ARG 45 -1.503 10.174 -10.601 353 HA ARG 45 HA ARG 45 -1.276 8.415 -8.280 354 1HB ARG 45 1HB ARG 45 0.687 8.923 -10.538 355 2HB ARG 45 2HB ARG 45 0.735 7.605 -9.349 356 1HG ARG 45 1HG ARG 45 -1.519 6.843 -10.218 357 2HG ARG 45 2HG ARG 45 -1.340 8.013 -11.537 358 1HD ARG 45 1HD ARG 45 0.499 5.651 -10.899 359 2HD ARG 45 2HD ARG 45 -0.640 5.774 -12.230 360 HE ARG 45 HE ARG 45 0.714 7.252 -13.386 361 1HH1 ARG 45 1HH2 ARG 45 2.268 6.448 -10.274 362 2HH1 ARG 45 2HH2 ARG 45 3.823 7.055 -10.773 363 1HH2 ARG 45 1HH1 ARG 45 2.762 8.012 -14.002 364 2HH2 ARG 45 2HH1 ARG 45 4.107 7.926 -12.894 365 H ILE 46 H ILE 46 0.664 8.300 -6.872 366 HA ILE 46 HA ILE 46 1.859 10.689 -5.916 367 HB ILE 46 HB ILE 46 2.562 7.733 -5.933 368 1HG1 ILE 46 1HG1 ILE 46 0.531 8.036 -4.678 369 2HG1 ILE 46 2HG1 ILE 46 1.875 7.756 -3.578 370 1HG2 ILE 46 1HG2 ILE 46 3.787 9.983 -4.342 371 2HG2 ILE 46 2HG2 ILE 46 4.034 8.223 -4.095 372 3HG2 ILE 46 3HG2 ILE 46 4.577 8.980 -5.590 373 1HD1 ILE 46 1HD1 ILE 46 0.167 10.160 -3.938 374 2HD1 ILE 46 2HD1 ILE 46 0.724 9.347 -2.472 375 3HD1 ILE 46 3HD1 ILE 46 1.826 10.413 -3.337 376 H GLU 47 H GLU 47 3.803 11.543 -6.501 377 HA GLU 47 HA GLU 47 4.747 11.222 -9.231 378 1HB GLU 47 1HB GLU 47 5.792 12.848 -6.873 379 2HB GLU 47 2HB GLU 47 6.494 12.870 -8.502 380 1HG GLU 47 1HG GLU 47 4.417 13.713 -9.451 381 2HG GLU 47 2HG GLU 47 3.606 13.615 -7.879 382 H LYS 48 H LYS 48 6.699 11.064 -6.212 383 HA LYS 48 HA LYS 48 8.513 9.105 -7.538 384 1HB LYS 48 1HB LYS 48 8.855 11.250 -5.442 385 2HB LYS 48 2HB LYS 48 9.947 9.864 -5.489 386 1HG LYS 48 1HG LYS 48 10.915 11.704 -6.674 387 2HG LYS 48 2HG LYS 48 10.629 10.344 -7.763 388 1HD LYS 48 1HD LYS 48 8.683 11.439 -8.725 389 2HD LYS 48 2HD LYS 48 8.784 12.770 -7.556 390 1HE LYS 48 1HE LYS 48 10.919 12.076 -9.634 391 2HE LYS 48 2HE LYS 48 9.668 13.310 -9.847 392 1HZ LYS 48 1HZ LYS 48 10.550 14.491 -7.993 393 2HZ LYS 48 2HZ LYS 48 11.718 13.352 -7.748 394 3HZ LYS 48 3HZ LYS 48 11.720 14.251 -9.127 395 H VAL 49 H VAL 49 7.735 7.120 -7.136 396 HA VAL 49 HA VAL 49 7.020 6.264 -4.376 397 HB VAL 49 HB VAL 49 6.823 4.845 -7.072 398 1HG1 VAL 49 1HG1 VAL 49 7.078 3.188 -5.322 399 2HG1 VAL 49 2HG1 VAL 49 5.890 4.017 -4.293 400 3HG1 VAL 49 3HG1 VAL 49 5.383 3.226 -5.800 401 1HG2 VAL 49 1HG2 VAL 49 4.666 6.144 -5.362 402 2HG2 VAL 49 2HG2 VAL 49 5.207 6.684 -6.968 403 3HG2 VAL 49 3HG2 VAL 49 4.371 5.139 -6.795 404 H GLU 50 H GLU 50 8.381 4.851 -3.236 405 HA GLU 50 HA GLU 50 10.649 3.602 -4.703 406 1HB GLU 50 1HB GLU 50 11.209 5.481 -2.983 407 2HB GLU 50 2HB GLU 50 10.740 4.287 -1.758 408 1HG GLU 50 1HG GLU 50 12.431 2.724 -2.623 409 2HG GLU 50 2HG GLU 50 12.863 3.900 -3.882 410 H HIS 51 H HIS 51 11.228 1.460 -3.662 411 HA HIS 51 HA HIS 51 8.982 0.227 -2.176 412 1HB HIS 51 1HB HIS 51 8.827 -1.633 -3.586 413 2HB HIS 51 2HB HIS 51 8.791 -0.245 -4.674 414 HD2 HIS 51 HD2 HIS 51 11.167 0.077 -6.259 415 HE1 HIS 51 HE1 HIS 51 12.678 -3.770 -5.345 416 HE2 HIS 51 HE2 HIS 51 12.944 -1.748 -6.877 417 H SER 52 H SER 52 9.533 -1.601 -0.998 418 HA SER 52 HA SER 52 12.393 -2.057 -0.363 419 1HB SER 52 1HB SER 52 10.901 -2.043 1.560 420 2HB SER 52 2HB SER 52 9.810 -3.202 0.765 421 HG SER 52 HG SER 52 11.476 -4.731 0.823 422 H ASP 53 H ASP 53 13.451 -3.730 -1.356 423 HA ASP 53 HA ASP 53 12.464 -5.298 -3.475 424 1HB ASP 53 1HB ASP 53 14.700 -5.769 -1.453 425 2HB ASP 53 2HB ASP 53 14.405 -6.834 -2.832 426 H LEU 54 H LEU 54 11.935 -7.522 -3.581 427 HA LEU 54 HA LEU 54 9.868 -8.261 -1.884 428 1HB LEU 54 1HB LEU 54 10.382 -9.084 -4.247 429 2HB LEU 54 2HB LEU 54 11.553 -10.188 -3.530 430 HG LEU 54 HG LEU 54 9.594 -11.424 -3.909 431 1HD1 LEU 54 1HD1 LEU 54 10.554 -11.817 -1.638 432 2HD1 LEU 54 2HD1 LEU 54 9.222 -10.818 -0.986 433 3HD1 LEU 54 3HD1 LEU 54 8.860 -12.280 -1.868 434 1HD2 LEU 54 1HD2 LEU 54 8.047 -9.086 -2.773 435 2HD2 LEU 54 2HD2 LEU 54 7.903 -9.863 -4.357 436 3HD2 LEU 54 3HD2 LEU 54 7.335 -10.684 -2.892 437 H SER 55 H SER 55 9.920 -8.865 0.132 438 HA SER 55 HA SER 55 12.284 -10.274 1.317 439 1HB SER 55 1HB SER 55 12.060 -7.960 2.179 440 2HB SER 55 2HB SER 55 10.374 -8.281 2.624 441 HG SER 55 HG SER 55 12.658 -9.677 3.586 442 H PHE 56 H PHE 56 11.276 -12.321 0.686 443 HA PHE 56 HA PHE 56 8.525 -12.781 1.476 444 1HB PHE 56 1HB PHE 56 8.719 -14.817 0.351 445 2HB PHE 56 2HB PHE 56 9.758 -13.774 -0.558 446 HD1 PHE 56 HD1 PHE 56 9.465 -16.836 1.218 447 HD2 PHE 56 HD2 PHE 56 12.227 -13.994 -0.398 448 HE1 PHE 56 HE1 PHE 56 11.364 -18.382 1.802 449 HE2 PHE 56 HE2 PHE 56 14.143 -15.539 0.154 450 HZ PHE 56 HZ PHE 56 13.693 -17.711 1.253 451 H SER 57 H SER 57 10.781 -12.215 3.554 452 HA SER 57 HA SER 57 11.659 -12.914 5.434 453 1HB SER 57 1HB SER 57 9.292 -12.951 6.194 454 2HB SER 57 2HB SER 57 9.221 -14.675 5.799 455 HG SER 57 HG SER 57 10.937 -13.386 7.659 456 H LYS 58 H LYS 58 11.562 -15.670 6.555 457 HA LYS 58 HA LYS 58 12.694 -17.341 4.366 458 1HB LYS 58 1HB LYS 58 13.832 -16.890 6.629 459 2HB LYS 58 2HB LYS 58 12.677 -18.076 7.264 460 1HG LYS 58 1HG LYS 58 13.473 -19.696 5.501 461 2HG LYS 58 2HG LYS 58 14.605 -18.461 4.916 462 1HD LYS 58 1HD LYS 58 15.796 -18.459 7.063 463 2HD LYS 58 2HD LYS 58 14.596 -19.558 7.765 464 1HE LYS 58 1HE LYS 58 16.627 -20.785 7.183 465 2HE LYS 58 2HE LYS 58 15.267 -21.347 6.199 466 1HZ LYS 58 1HZ LYS 58 17.322 -19.442 5.311 467 2HZ LYS 58 2HZ LYS 58 17.275 -21.045 4.939 468 3HZ LYS 58 3HZ LYS 58 16.090 -20.042 4.397 469 H ASP 59 H ASP 59 9.882 -16.990 6.453 470 HA ASP 59 HA ASP 59 9.463 -19.785 6.675 471 1HB ASP 59 1HB ASP 59 7.807 -19.175 8.323 472 2HB ASP 59 2HB ASP 59 9.203 -18.102 8.514 473 H TRP 60 H TRP 60 9.111 -19.335 3.995 474 HA TRP 60 HA TRP 60 7.765 -19.780 2.257 475 1HB TRP 60 1HB TRP 60 5.657 -20.744 4.212 476 2HB TRP 60 2HB TRP 60 5.773 -21.092 2.504 477 HD1 TRP 60 HD1 TRP 60 7.465 -21.964 5.806 478 HE1 TRP 60 HE1 TRP 60 8.682 -24.233 5.562 479 HE3 TRP 60 HE3 TRP 60 6.899 -22.667 0.767 480 HZ2 TRP 60 HZ2 TRP 60 9.281 -26.096 3.478 481 HZ3 TRP 60 HZ3 TRP 60 7.780 -24.712 -0.311 482 HH2 TRP 60 HH2 TRP 60 8.969 -26.433 1.030 483 H SER 61 H SER 61 7.306 -17.154 4.080 484 HA SER 61 HA SER 61 4.648 -16.323 3.209 485 1HB SER 61 1HB SER 61 5.638 -15.667 5.379 486 2HB SER 61 2HB SER 61 6.913 -14.772 4.540 487 HG SER 61 HG SER 61 5.123 -13.464 5.155 488 H PHE 62 H PHE 62 4.847 -13.834 2.211 489 HA PHE 62 HA PHE 62 6.923 -13.473 0.235 490 1HB PHE 62 1HB PHE 62 4.842 -15.140 -0.641 491 2HB PHE 62 2HB PHE 62 4.373 -13.551 -1.235 492 HD1 PHE 62 HD1 PHE 62 7.016 -16.142 -1.336 493 HD2 PHE 62 HD2 PHE 62 5.683 -12.349 -2.931 494 HE1 PHE 62 HE1 PHE 62 8.805 -16.221 -2.966 495 HE2 PHE 62 HE2 PHE 62 7.483 -12.425 -4.550 496 HZ PHE 62 HZ PHE 62 9.099 -14.298 -4.585 497 H TYR 63 H TYR 63 7.129 -11.170 0.114 498 HA TYR 63 HA TYR 63 4.720 -9.524 0.104 499 1HB TYR 63 1HB TYR 63 5.135 -8.433 2.257 500 2HB TYR 63 2HB TYR 63 4.671 -10.130 2.374 501 HD1 TYR 63 HD1 TYR 63 7.382 -7.752 2.882 502 HD2 TYR 63 HD2 TYR 63 5.880 -11.733 3.515 503 HE1 TYR 63 HE1 TYR 63 8.765 -7.927 4.889 504 HE2 TYR 63 HE2 TYR 63 7.222 -11.924 5.553 505 HH TYR 63 HH TYR 63 9.508 -9.333 6.604 506 H LEU 64 H LEU 64 5.316 -7.182 0.695 507 HA LEU 64 HA LEU 64 7.933 -6.216 0.266 508 1HB LEU 64 1HB LEU 64 7.828 -5.289 -1.917 509 2HB LEU 64 2HB LEU 64 7.475 -7.000 -2.064 510 HG LEU 64 HG LEU 64 5.635 -4.636 -2.384 511 1HD1 LEU 64 1HD1 LEU 64 6.022 -7.094 -4.153 512 2HD1 LEU 64 2HD1 LEU 64 5.198 -5.605 -4.589 513 3HD1 LEU 64 3HD1 LEU 64 6.950 -5.587 -4.353 514 1HD2 LEU 64 1HD2 LEU 64 4.873 -7.531 -1.936 515 2HD2 LEU 64 2HD2 LEU 64 4.194 -6.100 -1.113 516 3HD2 LEU 64 3HD2 LEU 64 3.800 -6.428 -2.790 517 H LEU 65 H LEU 65 7.947 -3.827 0.141 518 HA LEU 65 HA LEU 65 5.595 -2.609 1.484 519 1HB LEU 65 1HB LEU 65 7.982 -3.230 2.595 520 2HB LEU 65 2HB LEU 65 8.437 -1.686 1.862 521 HG LEU 65 HG LEU 65 6.188 -2.176 3.858 522 1HD1 LEU 65 1HD1 LEU 65 8.464 -2.460 4.744 523 2HD1 LEU 65 2HD1 LEU 65 8.915 -0.863 4.112 524 3HD1 LEU 65 3HD1 LEU 65 7.696 -1.002 5.404 525 1HD2 LEU 65 1HD2 LEU 65 7.146 0.319 2.429 526 2HD2 LEU 65 2HD2 LEU 65 5.491 -0.295 2.581 527 3HD2 LEU 65 3HD2 LEU 65 6.302 0.395 3.995 528 H TYR 66 H TYR 66 4.922 -0.650 0.571 529 HA TYR 66 HA TYR 66 6.513 0.443 -1.712 530 1HB TYR 66 1HB TYR 66 3.482 0.285 -1.639 531 2HB TYR 66 2HB TYR 66 4.535 0.644 -2.993 532 HD1 TYR 66 HD1 TYR 66 3.431 -2.164 -0.667 533 HD2 TYR 66 HD2 TYR 66 5.307 -1.190 -4.446 534 HE1 TYR 66 HE1 TYR 66 2.601 -4.247 -1.612 535 HE2 TYR 66 HE2 TYR 66 4.439 -3.296 -5.380 536 HH TYR 66 HH TYR 66 2.097 -5.333 -3.642 537 H TYR 67 H TYR 67 7.324 2.147 -0.657 538 HA TYR 67 HA TYR 67 5.494 3.950 0.797 539 1HB TYR 67 1HB TYR 67 7.688 4.687 1.894 540 2HB TYR 67 2HB TYR 67 6.774 3.266 2.348 541 HD1 TYR 67 HD1 TYR 67 9.087 3.459 -0.585 542 HD2 TYR 67 HD2 TYR 67 8.485 2.059 3.425 543 HE1 TYR 67 HE1 TYR 67 11.135 2.098 -0.768 544 HE2 TYR 67 HE2 TYR 67 10.586 0.760 3.292 545 HH TYR 67 HH TYR 67 12.382 0.146 1.972 546 H THR 68 H THR 68 5.581 6.045 0.646 547 HA THR 68 HA THR 68 7.416 7.495 -1.246 548 HB THR 68 HB THR 68 5.464 6.871 -2.406 549 HG1 THR 68 HG1 THR 68 6.446 8.788 -2.928 550 1HG2 THR 68 1HG2 THR 68 3.270 7.826 -1.862 551 2HG2 THR 68 2HG2 THR 68 3.843 6.792 -0.550 552 3HG2 THR 68 3HG2 THR 68 3.915 8.573 -0.406 553 H GLU 69 H GLU 69 7.419 9.926 -0.798 554 HA GLU 69 HA GLU 69 6.687 10.694 1.978 555 1HB GLU 69 1HB GLU 69 7.958 12.746 1.495 556 2HB GLU 69 2HB GLU 69 8.878 11.247 1.518 557 1HG GLU 69 1HG GLU 69 9.055 11.219 -0.916 558 2HG GLU 69 2HG GLU 69 8.052 12.676 -1.034 559 H PHE 70 H PHE 70 4.361 10.472 1.437 560 HA PHE 70 HA PHE 70 3.230 12.202 -0.565 561 1HB PHE 70 1HB PHE 70 1.198 11.397 -0.039 562 2HB PHE 70 2HB PHE 70 2.226 10.011 0.256 563 HD1 PHE 70 HD1 PHE 70 -0.745 10.799 1.236 564 HD2 PHE 70 HD2 PHE 70 3.072 10.982 3.200 565 HE1 PHE 70 HE1 PHE 70 -1.446 9.070 2.838 566 HE2 PHE 70 HE2 PHE 70 2.054 9.891 5.184 567 HZ PHE 70 HZ PHE 70 -0.081 8.698 4.922 568 H THR 71 H THR 71 2.088 14.046 -0.319 569 HA THR 71 HA THR 71 2.664 15.614 2.147 570 HB THR 71 HB THR 71 2.290 16.520 -0.670 571 HG1 THR 71 HG1 THR 71 4.521 16.764 -0.508 572 1HG2 THR 71 1HG2 THR 71 3.216 18.639 0.273 573 2HG2 THR 71 2HG2 THR 71 1.660 18.233 1.028 574 3HG2 THR 71 3HG2 THR 71 3.176 17.917 1.891 575 HA PRO 72 HA PRO 72 -1.944 15.376 2.226 576 1HB PRO 72 1HB PRO 72 -2.303 15.886 4.920 577 2HB PRO 72 2HB PRO 72 -1.970 14.283 4.221 578 1HG PRO 72 1HG PRO 72 -0.012 16.195 5.486 579 2HG PRO 72 2HG PRO 72 -0.140 14.431 5.731 580 1HD PRO 72 1HD PRO 72 1.686 15.568 4.072 581 2HD PRO 72 2HD PRO 72 0.933 13.993 3.679 582 H THR 73 H THR 73 -2.337 17.212 1.062 583 HA THR 73 HA THR 73 -2.006 19.940 2.118 584 HB THR 73 HB THR 73 -3.139 20.569 0.025 585 HG1 THR 73 HG1 THR 73 -3.435 17.774 -0.335 586 1HG2 THR 73 1HG2 THR 73 -1.517 19.798 -1.574 587 2HG2 THR 73 2HG2 THR 73 -0.709 20.120 -0.029 588 3HG2 THR 73 3HG2 THR 73 -1.035 18.448 -0.534 589 H GLU 74 H GLU 74 -4.277 21.218 1.742 590 HA GLU 74 HA GLU 74 -6.067 20.586 3.789 591 1HB GLU 74 1HB GLU 74 -5.802 22.766 2.650 592 2HB GLU 74 2HB GLU 74 -6.596 22.134 1.208 593 1HG GLU 74 1HG GLU 74 -7.895 22.187 3.976 594 2HG GLU 74 2HG GLU 74 -7.997 23.534 2.837 595 H LYS 75 H LYS 75 -6.393 19.935 0.260 596 HA LYS 75 HA LYS 75 -8.688 18.130 0.783 597 1HB LYS 75 1HB LYS 75 -8.559 20.166 -0.885 598 2HB LYS 75 2HB LYS 75 -7.798 19.015 -1.971 599 1HG LYS 75 1HG LYS 75 -10.522 18.735 -0.591 600 2HG LYS 75 2HG LYS 75 -10.247 19.277 -2.250 601 1HD LYS 75 1HD LYS 75 -9.233 17.045 -2.787 602 2HD LYS 75 2HD LYS 75 -9.705 16.480 -1.164 603 1HE LYS 75 1HE LYS 75 -12.071 16.959 -1.667 604 2HE LYS 75 2HE LYS 75 -11.619 17.614 -3.255 605 1HZ LYS 75 1HZ LYS 75 -10.776 15.418 -3.809 606 2HZ LYS 75 2HZ LYS 75 -11.322 14.829 -2.367 607 3HZ LYS 75 3HZ LYS 75 -12.387 15.406 -3.468 608 H ASP 76 H ASP 76 -6.451 16.958 1.723 609 HA ASP 76 HA ASP 76 -5.149 15.318 -0.301 610 1HB ASP 76 1HB ASP 76 -4.019 14.287 1.520 611 2HB ASP 76 2HB ASP 76 -4.103 16.017 1.842 612 H GLU 77 H GLU 77 -5.836 13.325 -1.055 613 HA GLU 77 HA GLU 77 -7.992 11.888 0.382 614 1HB GLU 77 1HB GLU 77 -8.935 13.608 -1.261 615 2HB GLU 77 2HB GLU 77 -8.236 12.642 -2.564 616 1HG GLU 77 1HG GLU 77 -9.670 10.725 -1.881 617 2HG GLU 77 2HG GLU 77 -10.232 11.642 -0.472 618 H TYR 78 H TYR 78 -5.536 11.067 0.573 619 HA TYR 78 HA TYR 78 -4.623 9.553 -1.711 620 1HB TYR 78 1HB TYR 78 -3.566 9.900 1.074 621 2HB TYR 78 2HB TYR 78 -2.820 8.837 -0.089 622 HD1 TYR 78 HD1 TYR 78 -1.190 9.715 -1.598 623 HD2 TYR 78 HD2 TYR 78 -3.902 12.394 0.375 624 HE1 TYR 78 HE1 TYR 78 0.194 11.676 -2.299 625 HE2 TYR 78 HE2 TYR 78 -2.575 14.329 -0.427 626 HH TYR 78 HH TYR 78 -0.444 14.967 -1.127 627 H ALA 79 H ALA 79 -4.462 7.441 -1.990 628 HA ALA 79 HA ALA 79 -5.594 5.477 -0.149 629 1HB ALA 79 1HB ALA 79 -7.581 6.356 -1.411 630 2HB ALA 79 2HB ALA 79 -6.760 5.971 -2.936 631 3HB ALA 79 3HB ALA 79 -7.232 4.669 -1.826 632 H CYS 80 H CYS 80 -5.452 3.263 -1.332 633 HA CYS 80 HA CYS 80 -2.991 3.124 -2.976 634 1HB CYS 80 1HB CYS 80 -2.734 3.086 -0.328 635 2HB CYS 80 2HB CYS 80 -3.154 1.383 -0.522 636 H ARG 81 H ARG 81 -3.117 1.659 -4.501 637 HA ARG 81 HA ARG 81 -5.524 0.139 -4.970 638 1HB ARG 81 1HB ARG 81 -4.141 1.223 -6.698 639 2HB ARG 81 2HB ARG 81 -2.796 0.159 -6.274 640 1HG ARG 81 1HG ARG 81 -4.058 -1.801 -7.000 641 2HG ARG 81 2HG ARG 81 -5.461 -0.798 -7.399 642 1HD ARG 81 1HD ARG 81 -2.700 -0.397 -8.620 643 2HD ARG 81 2HD ARG 81 -3.948 -1.397 -9.368 644 HE ARG 81 HE ARG 81 -5.186 1.043 -8.873 645 1HH1 ARG 81 1HH2 ARG 81 -2.352 0.003 -10.759 646 2HH1 ARG 81 2HH2 ARG 81 -2.634 1.152 -12.037 647 1HH2 ARG 81 1HH1 ARG 81 -5.453 2.633 -10.510 648 2HH2 ARG 81 2HH1 ARG 81 -4.343 2.694 -11.854 649 H VAL 82 H VAL 82 -5.848 -2.192 -4.700 650 HA VAL 82 HA VAL 82 -3.478 -3.784 -3.986 651 HB VAL 82 HB VAL 82 -6.077 -4.070 -2.435 652 1HG1 VAL 82 1HG1 VAL 82 -4.534 -6.014 -2.791 653 2HG1 VAL 82 2HG1 VAL 82 -3.293 -5.106 -1.903 654 3HG1 VAL 82 3HG1 VAL 82 -4.822 -5.570 -1.104 655 1HG2 VAL 82 1HG2 VAL 82 -5.080 -1.863 -1.796 656 2HG2 VAL 82 2HG2 VAL 82 -5.057 -3.049 -0.511 657 3HG2 VAL 82 3HG2 VAL 82 -3.561 -2.703 -1.406 658 H ASN 83 H ASN 83 -3.521 -4.682 -6.024 659 HA ASN 83 HA ASN 83 -5.949 -6.336 -6.689 660 1HB ASN 83 1HB ASN 83 -4.058 -5.169 -8.722 661 2HB ASN 83 2HB ASN 83 -5.570 -6.014 -8.987 662 1HD2 ASN 83 2HD2 ASN 83 -5.177 -3.765 -10.335 663 2HD2 ASN 83 1HD2 ASN 83 -6.203 -2.478 -9.719 664 H HIS 84 H HIS 84 -4.775 -7.967 -5.274 665 HA HIS 84 HA HIS 84 -2.167 -9.037 -6.160 666 1HB HIS 84 1HB HIS 84 -2.740 -9.104 -3.827 667 2HB HIS 84 2HB HIS 84 -4.254 -9.932 -4.181 668 HD2 HIS 84 HD2 HIS 84 -0.380 -10.783 -4.643 669 HE1 HIS 84 HE1 HIS 84 -2.582 -14.311 -3.871 670 HE2 HIS 84 HE2 HIS 84 -0.260 -13.387 -4.340 671 H VAL 85 H VAL 85 -2.077 -11.136 -7.328 672 HA VAL 85 HA VAL 85 -3.939 -11.492 -9.326 673 HB VAL 85 HB VAL 85 -1.643 -12.363 -9.308 674 1HG1 VAL 85 1HG1 VAL 85 -1.658 -13.476 -7.072 675 2HG1 VAL 85 2HG1 VAL 85 -2.745 -14.724 -7.723 676 3HG1 VAL 85 3HG1 VAL 85 -1.113 -14.541 -8.381 677 1HG2 VAL 85 1HG2 VAL 85 -3.276 -13.072 -11.031 678 2HG2 VAL 85 2HG2 VAL 85 -2.073 -14.322 -10.677 679 3HG2 VAL 85 3HG2 VAL 85 -3.715 -14.473 -10.029 680 H THR 86 H THR 86 -4.135 -12.914 -6.058 681 HA THR 86 HA THR 86 -6.319 -14.671 -6.852 682 HB THR 86 HB THR 86 -4.500 -14.954 -4.941 683 HG1 THR 86 HG1 THR 86 -7.142 -15.901 -5.059 684 1HG2 THR 86 1HG2 THR 86 -6.993 -14.188 -3.366 685 2HG2 THR 86 2HG2 THR 86 -5.398 -14.672 -2.750 686 3HG2 THR 86 3HG2 THR 86 -5.609 -13.092 -3.524 687 H LEU 87 H LEU 87 -6.094 -11.339 -5.687 688 HA LEU 87 HA LEU 87 -8.877 -11.159 -4.819 689 1HB LEU 87 1HB LEU 87 -6.627 -9.236 -5.417 690 2HB LEU 87 2HB LEU 87 -8.281 -8.646 -5.394 691 HG LEU 87 HG LEU 87 -8.631 -9.157 -3.145 692 1HD1 LEU 87 1HD1 LEU 87 -6.000 -10.694 -3.127 693 2HD1 LEU 87 2HD1 LEU 87 -6.964 -10.266 -1.700 694 3HD1 LEU 87 3HD1 LEU 87 -7.625 -11.370 -2.907 695 1HD2 LEU 87 1HD2 LEU 87 -7.228 -7.163 -3.671 696 2HD2 LEU 87 2HD2 LEU 87 -6.879 -7.817 -2.060 697 3HD2 LEU 87 3HD2 LEU 87 -5.768 -8.131 -3.408 698 H SER 88 H SER 88 -10.380 -11.735 -6.268 699 HA SER 88 HA SER 88 -10.098 -11.280 -9.122 700 1HB SER 88 1HB SER 88 -12.513 -12.204 -7.518 701 2HB SER 88 2HB SER 88 -12.235 -12.414 -9.259 702 HG SER 88 HG SER 88 -10.338 -13.637 -8.649 703 H GLN 89 H GLN 89 -10.277 -8.876 -7.118 704 HA GLN 89 HA GLN 89 -11.888 -7.233 -8.829 705 1HB GLN 89 1HB GLN 89 -13.211 -6.296 -6.968 706 2HB GLN 89 2HB GLN 89 -13.652 -7.966 -7.353 707 1HG GLN 89 1HG GLN 89 -12.269 -8.750 -5.428 708 2HG GLN 89 2HG GLN 89 -11.903 -7.062 -5.020 709 1HE2 GLN 89 2HE2 GLN 89 -13.122 -8.850 -3.196 710 2HE2 GLN 89 1HE2 GLN 89 -14.753 -8.285 -2.896 711 HA PRO 90 HA PRO 90 -8.430 -4.801 -7.439 712 1HB PRO 90 1HB PRO 90 -9.013 -2.328 -8.470 713 2HB PRO 90 2HB PRO 90 -8.655 -3.739 -9.504 714 1HG PRO 90 1HG PRO 90 -11.390 -2.673 -8.757 715 2HG PRO 90 2HG PRO 90 -10.781 -3.106 -10.377 716 1HD PRO 90 1HD PRO 90 -12.268 -4.836 -8.851 717 2HD PRO 90 2HD PRO 90 -10.966 -5.405 -9.940 718 H LYS 91 H LYS 91 -8.283 -4.497 -5.251 719 HA LYS 91 HA LYS 91 -10.563 -3.294 -3.799 720 1HB LYS 91 1HB LYS 91 -9.868 -5.525 -3.178 721 2HB LYS 91 2HB LYS 91 -8.206 -4.999 -2.925 722 1HG LYS 91 1HG LYS 91 -9.426 -5.329 -0.831 723 2HG LYS 91 2HG LYS 91 -8.846 -3.669 -0.986 724 1HD LYS 91 1HD LYS 91 -11.077 -2.883 -1.595 725 2HD LYS 91 2HD LYS 91 -11.681 -4.556 -1.682 726 1HE LYS 91 1HE LYS 91 -11.226 -4.815 0.760 727 2HE LYS 91 2HE LYS 91 -10.663 -3.134 0.821 728 1HZ LYS 91 1HZ LYS 91 -12.842 -2.453 0.108 729 2HZ LYS 91 2HZ LYS 91 -13.359 -4.017 0.069 730 3HZ LYS 91 3HZ LYS 91 -12.929 -3.327 1.502 731 H ILE 92 H ILE 92 -10.158 -1.079 -4.296 732 HA ILE 92 HA ILE 92 -7.573 0.088 -3.651 733 HB ILE 92 HB ILE 92 -10.151 1.558 -4.241 734 1HG1 ILE 92 1HG1 ILE 92 -9.978 -0.012 -6.062 735 2HG1 ILE 92 2HG1 ILE 92 -9.525 1.592 -6.610 736 1HG2 ILE 92 1HG2 ILE 92 -7.188 2.209 -4.568 737 2HG2 ILE 92 2HG2 ILE 92 -8.522 3.229 -5.150 738 3HG2 ILE 92 3HG2 ILE 92 -8.326 2.924 -3.413 739 1HD1 ILE 92 1HD1 ILE 92 -7.131 0.972 -6.527 740 2HD1 ILE 92 2HD1 ILE 92 -7.571 -0.655 -5.938 741 3HD1 ILE 92 3HD1 ILE 92 -8.061 -0.130 -7.554 742 H VAL 93 H VAL 93 -6.989 0.636 -1.610 743 HA VAL 93 HA VAL 93 -9.064 0.840 0.532 744 HB VAL 93 HB VAL 93 -6.132 0.014 0.613 745 1HG1 VAL 93 1HG1 VAL 93 -6.696 1.138 2.703 746 2HG1 VAL 93 2HG1 VAL 93 -8.212 0.218 2.838 747 3HG1 VAL 93 3HG1 VAL 93 -6.642 -0.601 2.987 748 1HG2 VAL 93 1HG2 VAL 93 -7.559 -1.717 -0.372 749 2HG2 VAL 93 2HG2 VAL 93 -7.073 -2.200 1.252 750 3HG2 VAL 93 3HG2 VAL 93 -8.711 -1.576 0.974 751 H LYS 94 H LYS 94 -9.379 2.835 1.352 752 HA LYS 94 HA LYS 94 -7.803 5.090 0.629 753 1HB LYS 94 1HB LYS 94 -9.201 6.336 2.117 754 2HB LYS 94 2HB LYS 94 -10.208 5.166 1.254 755 1HG LYS 94 1HG LYS 94 -10.222 3.692 3.261 756 2HG LYS 94 2HG LYS 94 -9.168 4.839 4.113 757 1HD LYS 94 1HD LYS 94 -10.871 6.611 3.868 758 2HD LYS 94 2HD LYS 94 -11.978 5.439 3.120 759 1HE LYS 94 1HE LYS 94 -12.030 4.106 5.165 760 2HE LYS 94 2HE LYS 94 -10.743 5.084 5.896 761 1HZ LYS 94 1HZ LYS 94 -13.415 6.068 5.197 762 2HZ LYS 94 2HZ LYS 94 -12.878 5.702 6.712 763 3HZ LYS 94 3HZ LYS 94 -12.202 6.951 5.881 764 H TRP 95 H TRP 95 -6.441 6.444 1.965 765 HA TRP 95 HA TRP 95 -4.921 5.080 4.088 766 1HB TRP 95 1HB TRP 95 -3.686 6.577 2.680 767 2HB TRP 95 2HB TRP 95 -4.872 7.863 2.911 768 HD1 TRP 95 HD1 TRP 95 -3.105 5.827 5.685 769 HE1 TRP 95 HE1 TRP 95 -1.917 7.486 7.269 770 HE3 TRP 95 HE3 TRP 95 -3.964 10.170 3.131 771 HZ2 TRP 95 HZ2 TRP 95 -1.426 10.345 7.400 772 HZ3 TRP 95 HZ3 TRP 95 -2.644 12.170 3.710 773 HH2 TRP 95 HH2 TRP 95 -1.503 12.327 5.902 774 H ASP 96 H ASP 96 -6.140 4.734 5.924 775 HA ASP 96 HA ASP 96 -7.872 6.760 7.092 776 1HB ASP 96 1HB ASP 96 -7.643 5.362 9.138 777 2HB ASP 96 2HB ASP 96 -8.297 4.544 7.725 778 H ARG 97 H ARG 97 -7.235 8.456 8.190 779 HA ARG 97 HA ARG 97 -4.504 9.339 8.232 780 1HB ARG 97 1HB ARG 97 -6.969 10.332 9.730 781 2HB ARG 97 2HB ARG 97 -5.410 11.155 9.748 782 1HG ARG 97 1HG ARG 97 -7.107 10.665 7.256 783 2HG ARG 97 2HG ARG 97 -6.993 12.162 8.181 784 1HD ARG 97 1HD ARG 97 -4.324 11.721 7.690 785 2HD ARG 97 2HD ARG 97 -5.039 10.922 6.290 786 HE ARG 97 HE ARG 97 -5.489 12.995 5.390 787 1HH1 ARG 97 1HH2 ARG 97 -4.965 13.382 8.883 788 2HH1 ARG 97 2HH2 ARG 97 -5.046 15.124 8.825 789 1HH2 ARG 97 1HH1 ARG 97 -5.693 15.288 5.360 790 2HH2 ARG 97 2HH1 ARG 97 -5.464 16.205 6.824 791 H ASP 98 H ASP 98 -6.687 8.273 10.768 792 HA ASP 98 HA ASP 98 -4.505 7.144 12.415 793 1HB ASP 98 1HB ASP 98 -4.825 9.398 13.319 794 2HB ASP 98 2HB ASP 98 -6.577 9.174 13.381 795 H MET 99 H MET 99 -8.017 7.851 12.341 796 HA MET 99 HA MET 99 -8.637 4.954 12.254 797 1HB MET 99 1HB MET 99 -10.592 5.328 13.643 798 2HB MET 99 2HB MET 99 -9.129 5.785 14.525 799 1HG MET 99 1HG MET 99 -9.580 8.178 14.033 800 2HG MET 99 2HG MET 99 -11.038 7.715 13.142 801 1HE MET 99 1HE MET 99 -12.494 9.358 14.424 802 2HE MET 99 2HE MET 99 -12.693 9.394 16.190 803 3HE MET 99 3HE MET 99 -11.163 9.930 15.460 Start of MODEL 19 1 1H MET 0 1H MET 0 -1.106 -23.586 1.880 2 2H MET 0 2H MET 0 -1.111 -22.104 1.158 3 3H MET 0 3H MET 0 -2.517 -22.946 1.312 4 HA MET 0 HA MET 0 -0.205 -23.749 -0.290 5 1HB MET 0 1HB MET 0 -2.980 -25.007 -0.101 6 2HB MET 0 2HB MET 0 -1.695 -25.473 -1.228 7 1HG MET 0 1HG MET 0 -0.224 -25.972 0.770 8 2HG MET 0 2HG MET 0 -1.617 -25.650 1.809 9 1HE MET 0 1HE MET 0 0.332 -28.180 -0.235 10 2HE MET 0 2HE MET 0 -0.868 -29.389 -0.740 11 3HE MET 0 3HE MET 0 -0.857 -27.783 -1.501 12 H ILE 1 H ILE 1 -3.697 -22.943 -0.582 13 HA ILE 1 HA ILE 1 -3.501 -21.801 -3.175 14 HB ILE 1 HB ILE 1 -5.691 -20.993 -2.873 15 1HG1 ILE 1 1HG1 ILE 1 -5.661 -19.866 -0.774 16 2HG1 ILE 1 2HG1 ILE 1 -6.950 -21.060 -0.779 17 1HG2 ILE 1 1HG2 ILE 1 -5.519 -23.368 -3.234 18 2HG2 ILE 1 2HG2 ILE 1 -5.455 -23.690 -1.490 19 3HG2 ILE 1 3HG2 ILE 1 -6.917 -22.998 -2.213 20 1HD1 ILE 1 1HD1 ILE 1 -5.469 -22.603 0.556 21 2HD1 ILE 1 2HD1 ILE 1 -4.282 -21.278 0.671 22 3HD1 ILE 1 3HD1 ILE 1 -5.889 -21.085 1.371 23 H GLN 2 H GLN 2 -4.100 -19.481 -3.601 24 HA GLN 2 HA GLN 2 -2.000 -17.802 -2.591 25 1HB GLN 2 1HB GLN 2 -4.379 -17.357 -4.440 26 2HB GLN 2 2HB GLN 2 -3.179 -16.121 -4.042 27 1HG GLN 2 1HG GLN 2 -2.530 -17.129 -6.138 28 2HG GLN 2 2HG GLN 2 -1.377 -17.615 -4.891 29 1HE2 GLN 2 2HE2 GLN 2 -0.771 -19.726 -5.027 30 2HE2 GLN 2 1HE2 GLN 2 -1.775 -21.021 -5.643 31 H ARG 3 H ARG 3 -2.147 -17.185 -0.486 32 HA ARG 3 HA ARG 3 -4.629 -16.857 0.857 33 1HB ARG 3 1HB ARG 3 -2.583 -17.701 1.871 34 2HB ARG 3 2HB ARG 3 -1.850 -16.098 1.733 35 1HG ARG 3 1HG ARG 3 -3.485 -15.163 3.299 36 2HG ARG 3 2HG ARG 3 -4.424 -16.674 3.264 37 1HD ARG 3 1HD ARG 3 -2.472 -17.863 4.263 38 2HD ARG 3 2HD ARG 3 -1.620 -16.307 4.394 39 HE ARG 3 HE ARG 3 -4.102 -15.926 5.612 40 1HH1 ARG 3 1HH2 ARG 3 -1.284 -18.011 6.165 41 2HH1 ARG 3 2HH2 ARG 3 -1.613 -18.220 7.865 42 1HH2 ARG 3 1HH1 ARG 3 -4.530 -16.210 7.833 43 2HH2 ARG 3 2HH1 ARG 3 -3.471 -17.180 8.823 44 H THR 4 H THR 4 -5.529 -15.015 1.836 45 HA THR 4 HA THR 4 -5.926 -12.854 0.186 46 HB THR 4 HB THR 4 -6.347 -13.023 3.204 47 HG1 THR 4 HG1 THR 4 -7.930 -13.989 1.065 48 1HG2 THR 4 1HG2 THR 4 -8.355 -11.655 2.777 49 2HG2 THR 4 2HG2 THR 4 -6.883 -10.782 2.315 50 3HG2 THR 4 3HG2 THR 4 -7.917 -11.517 1.064 51 HA PRO 5 HA PRO 5 -2.388 -10.226 1.330 52 1HB PRO 5 1HB PRO 5 -3.121 -7.901 0.073 53 2HB PRO 5 2HB PRO 5 -2.522 -9.345 -0.790 54 1HG PRO 5 1HG PRO 5 -5.386 -8.472 -0.381 55 2HG PRO 5 2HG PRO 5 -4.601 -9.034 -1.885 56 1HD PRO 5 1HD PRO 5 -6.105 -10.667 -0.283 57 2HD PRO 5 2HD PRO 5 -4.686 -11.286 -1.185 58 H LYS 6 H LYS 6 -2.289 -9.782 3.449 59 HA LYS 6 HA LYS 6 -4.371 -8.321 4.881 60 1HB LYS 6 1HB LYS 6 -3.032 -10.245 5.832 61 2HB LYS 6 2HB LYS 6 -1.614 -9.183 5.832 62 1HG LYS 6 1HG LYS 6 -3.175 -7.501 7.118 63 2HG LYS 6 2HG LYS 6 -4.209 -8.910 7.385 64 1HD LYS 6 1HD LYS 6 -1.290 -8.559 8.219 65 2HD LYS 6 2HD LYS 6 -2.707 -8.511 9.281 66 1HE LYS 6 1HE LYS 6 -3.205 -10.898 8.666 67 2HE LYS 6 2HE LYS 6 -1.704 -10.939 7.718 68 1HZ LYS 6 1HZ LYS 6 -1.872 -10.406 10.595 69 2HZ LYS 6 2HZ LYS 6 -1.408 -11.827 9.902 70 3HZ LYS 6 3HZ LYS 6 -0.490 -10.473 9.700 71 H ILE 7 H ILE 7 -4.458 -6.215 4.290 72 HA ILE 7 HA ILE 7 -2.104 -4.578 3.732 73 HB ILE 7 HB ILE 7 -3.724 -2.825 3.292 74 1HG1 ILE 7 1HG1 ILE 7 -6.256 -3.838 3.277 75 2HG1 ILE 7 2HG1 ILE 7 -5.662 -4.622 4.734 76 1HG2 ILE 7 1HG2 ILE 7 -3.228 -4.507 1.553 77 2HG2 ILE 7 2HG2 ILE 7 -4.646 -5.452 2.070 78 3HG2 ILE 7 3HG2 ILE 7 -4.846 -3.815 1.429 79 1HD1 ILE 7 1HD1 ILE 7 -5.023 -2.329 5.615 80 2HD1 ILE 7 2HD1 ILE 7 -5.695 -1.633 4.131 81 3HD1 ILE 7 3HD1 ILE 7 -6.748 -2.505 5.261 82 H GLN 8 H GLN 8 -1.166 -2.968 5.128 83 HA GLN 8 HA GLN 8 -2.857 -1.942 7.269 84 1HB GLN 8 1HB GLN 8 -0.656 -1.869 8.577 85 2HB GLN 8 2HB GLN 8 -1.676 -3.312 8.668 86 1HG GLN 8 1HG GLN 8 0.750 -3.061 6.872 87 2HG GLN 8 2HG GLN 8 0.833 -3.669 8.528 88 1HE2 GLN 8 2HE2 GLN 8 1.301 -4.909 5.728 89 2HE2 GLN 8 1HE2 GLN 8 0.325 -6.366 5.751 90 H VAL 9 H VAL 9 -3.193 -0.093 6.150 91 HA VAL 9 HA VAL 9 -0.952 1.307 4.851 92 HB VAL 9 HB VAL 9 -3.914 1.971 4.868 93 1HG1 VAL 9 1HG1 VAL 9 -1.532 3.034 3.318 94 2HG1 VAL 9 2HG1 VAL 9 -3.220 3.325 2.840 95 3HG1 VAL 9 3HG1 VAL 9 -2.614 3.938 4.383 96 1HG2 VAL 9 1HG2 VAL 9 -3.527 -0.212 3.759 97 2HG2 VAL 9 2HG2 VAL 9 -3.893 1.034 2.561 98 3HG2 VAL 9 3HG2 VAL 9 -2.220 0.496 2.793 99 H TYR 10 H TYR 10 0.270 2.120 6.513 100 HA TYR 10 HA TYR 10 -1.100 3.886 8.506 101 1HB TYR 10 1HB TYR 10 0.774 3.490 9.958 102 2HB TYR 10 2HB TYR 10 -0.081 2.020 9.520 103 HD1 TYR 10 HD1 TYR 10 0.989 0.244 8.288 104 HD2 TYR 10 HD2 TYR 10 3.098 3.899 9.163 105 HE1 TYR 10 HE1 TYR 10 3.129 -0.848 7.698 106 HE2 TYR 10 HE2 TYR 10 5.238 2.806 8.544 107 HH TYR 10 HH TYR 10 6.246 0.906 7.720 108 H SER 11 H SER 11 -0.157 5.790 9.150 109 HA SER 11 HA SER 11 1.769 7.122 7.315 110 1HB SER 11 1HB SER 11 0.952 9.182 8.633 111 2HB SER 11 2HB SER 11 -0.077 8.459 7.396 112 HG SER 11 HG SER 11 -0.293 7.982 10.180 113 H ARG 12 H ARG 12 3.765 7.660 8.186 114 HA ARG 12 HA ARG 12 4.416 6.767 10.915 115 1HB ARG 12 1HB ARG 12 6.083 8.014 8.696 116 2HB ARG 12 2HB ARG 12 6.700 7.537 10.290 117 1HG ARG 12 1HG ARG 12 5.860 5.201 9.876 118 2HG ARG 12 2HG ARG 12 5.338 5.704 8.266 119 1HD ARG 12 1HD ARG 12 7.427 4.586 8.033 120 2HD ARG 12 2HD ARG 12 7.730 6.311 7.737 121 HE ARG 12 HE ARG 12 8.175 5.914 10.466 122 1HH1 ARG 12 1HH2 ARG 12 9.574 4.628 7.464 123 2HH1 ARG 12 2HH2 ARG 12 11.127 4.295 8.188 124 1HH2 ARG 12 1HH1 ARG 12 10.218 5.477 11.395 125 2HH2 ARG 12 2HH1 ARG 12 11.493 4.782 10.429 126 H HIS 13 H HIS 13 4.658 9.857 9.083 127 HA HIS 13 HA HIS 13 5.172 11.416 11.442 128 1HB HIS 13 1HB HIS 13 4.344 12.203 8.639 129 2HB HIS 13 2HB HIS 13 4.953 13.315 9.861 130 HD2 HIS 13 HD2 HIS 13 7.553 13.832 9.562 131 HE1 HIS 13 HE1 HIS 13 8.655 10.292 7.527 132 HE2 HIS 13 HE2 HIS 13 9.507 12.530 8.398 133 HA PRO 14 HA PRO 14 0.873 12.616 12.249 134 1HB PRO 14 1HB PRO 14 1.160 15.043 13.445 135 2HB PRO 14 2HB PRO 14 1.640 13.518 14.241 136 1HG PRO 14 1HG PRO 14 3.413 15.506 12.822 137 2HG PRO 14 2HG PRO 14 3.702 14.672 14.372 138 1HD PRO 14 1HD PRO 14 4.750 13.855 11.954 139 2HD PRO 14 2HD PRO 14 4.419 12.716 13.275 140 H ALA 15 H ALA 15 -0.493 13.263 10.626 141 HA ALA 15 HA ALA 15 0.508 14.625 8.372 142 1HB ALA 15 1HB ALA 15 -1.332 13.031 8.241 143 2HB ALA 15 2HB ALA 15 -2.394 14.179 9.105 144 3HB ALA 15 3HB ALA 15 -1.760 14.584 7.504 145 H GLU 16 H GLU 16 0.282 16.646 7.588 146 HA GLU 16 HA GLU 16 -1.076 18.799 9.007 147 1HB GLU 16 1HB GLU 16 1.000 18.579 10.311 148 2HB GLU 16 2HB GLU 16 1.970 18.667 8.835 149 1HG GLU 16 1HG GLU 16 1.138 20.982 8.434 150 2HG GLU 16 2HG GLU 16 0.145 20.869 9.899 151 H ASN 17 H ASN 17 -1.382 20.562 7.656 152 HA ASN 17 HA ASN 17 -1.641 19.934 4.938 153 1HB ASN 17 1HB ASN 17 -3.111 21.430 6.205 154 2HB ASN 17 2HB ASN 17 -1.820 22.637 6.307 155 1HD2 ASN 17 2HD2 ASN 17 -3.866 23.785 5.293 156 2HD2 ASN 17 1HD2 ASN 17 -3.882 23.840 3.541 157 H GLY 18 H GLY 18 -0.003 19.727 3.510 158 1HA GLY 18 1HA GLY 18 1.651 20.376 2.079 159 2HA GLY 18 2HA GLY 18 1.532 22.018 2.727 160 H LYS 19 H LYS 19 2.376 18.915 4.312 161 HA LYS 19 HA LYS 19 5.153 19.807 4.828 162 1HB LYS 19 1HB LYS 19 3.751 20.631 6.628 163 2HB LYS 19 2HB LYS 19 3.129 18.976 6.842 164 1HG LYS 19 1HG LYS 19 4.702 19.594 8.599 165 2HG LYS 19 2HG LYS 19 5.291 18.215 7.693 166 1HD LYS 19 1HD LYS 19 6.221 20.977 6.866 167 2HD LYS 19 2HD LYS 19 6.801 20.315 8.399 168 1HE LYS 19 1HE LYS 19 7.627 18.276 7.265 169 2HE LYS 19 2HE LYS 19 7.163 18.956 5.698 170 1HZ LYS 19 1HZ LYS 19 9.071 20.168 7.567 171 2HZ LYS 19 2HZ LYS 19 9.464 19.310 6.217 172 3HZ LYS 19 3HZ LYS 19 8.669 20.744 6.075 173 H SER 20 H SER 20 5.802 18.314 3.678 174 HA SER 20 HA SER 20 5.062 15.895 2.986 175 1HB SER 20 1HB SER 20 7.121 17.128 2.176 176 2HB SER 20 2HB SER 20 7.994 16.143 3.378 177 HG SER 20 HG SER 20 6.285 15.150 1.337 178 H ASN 21 H ASN 21 4.850 13.921 3.818 179 HA ASN 21 HA ASN 21 5.802 13.180 6.544 180 1HB ASN 21 1HB ASN 21 3.209 12.720 5.050 181 2HB ASN 21 2HB ASN 21 3.551 11.998 6.615 182 1HD2 ASN 21 2HD2 ASN 21 1.612 14.174 5.525 183 2HD2 ASN 21 1HD2 ASN 21 1.829 15.504 6.645 184 H PHE 22 H PHE 22 4.451 10.459 5.957 185 HA PHE 22 HA PHE 22 5.698 9.454 3.608 186 1HB PHE 22 1HB PHE 22 7.282 9.260 5.962 187 2HB PHE 22 2HB PHE 22 6.662 7.648 5.662 188 HD1 PHE 22 HD1 PHE 22 9.308 9.850 4.903 189 HD2 PHE 22 HD2 PHE 22 6.707 6.965 3.041 190 HE1 PHE 22 HE1 PHE 22 10.973 9.514 3.097 191 HE2 PHE 22 HE2 PHE 22 8.340 6.718 1.168 192 HZ PHE 22 HZ PHE 22 10.480 7.963 1.218 193 H LEU 23 H LEU 23 4.197 8.289 2.784 194 HA LEU 23 HA LEU 23 2.119 6.955 4.401 195 1HB LEU 23 1HB LEU 23 1.514 8.345 2.439 196 2HB LEU 23 2HB LEU 23 2.463 7.305 1.413 197 HG LEU 23 HG LEU 23 0.969 5.442 1.775 198 1HD1 LEU 23 1HD1 LEU 23 -0.525 7.218 3.758 199 2HD1 LEU 23 2HD1 LEU 23 -1.146 5.706 3.090 200 3HD1 LEU 23 3HD1 LEU 23 0.286 5.693 4.122 201 1HD2 LEU 23 1HD2 LEU 23 0.372 7.280 0.132 202 2HD2 LEU 23 2HD2 LEU 23 -1.032 6.353 0.711 203 3HD2 LEU 23 3HD2 LEU 23 -0.695 7.968 1.359 204 H ASN 24 H ASN 24 2.043 4.736 4.585 205 HA ASN 24 HA ASN 24 4.027 3.082 3.084 206 1HB ASN 24 1HB ASN 24 3.398 3.125 6.051 207 2HB ASN 24 2HB ASN 24 4.314 1.856 5.232 208 1HD2 ASN 24 2HD2 ASN 24 4.314 5.456 5.765 209 2HD2 ASN 24 1HD2 ASN 24 6.055 5.586 5.870 210 H CYS 25 H CYS 25 2.439 2.165 1.753 211 HA CYS 25 HA CYS 25 0.073 0.879 2.982 212 1HB CYS 25 1HB CYS 25 0.953 0.901 0.092 213 2HB CYS 25 2HB CYS 25 -0.556 0.267 0.735 214 H TYR 26 H TYR 26 1.672 -0.380 4.345 215 HA TYR 26 HA TYR 26 3.331 -2.373 3.076 216 1HB TYR 26 1HB TYR 26 3.808 -1.429 5.292 217 2HB TYR 26 2HB TYR 26 2.274 -1.964 5.884 218 HD1 TYR 26 HD1 TYR 26 4.634 -4.064 3.817 219 HD2 TYR 26 HD2 TYR 26 3.135 -3.225 7.763 220 HE1 TYR 26 HE1 TYR 26 5.238 -6.342 4.526 221 HE2 TYR 26 HE2 TYR 26 3.728 -5.518 8.478 222 HH TYR 26 HH TYR 26 4.566 -7.573 7.825 223 H VAL 27 H VAL 27 2.736 -4.482 2.487 224 HA VAL 27 HA VAL 27 0.112 -5.490 3.422 225 HB VAL 27 HB VAL 27 1.047 -5.908 0.553 226 1HG1 VAL 27 1HG1 VAL 27 -0.615 -7.528 1.537 227 2HG1 VAL 27 2HG1 VAL 27 -1.678 -6.170 1.912 228 3HG1 VAL 27 3HG1 VAL 27 -1.287 -6.555 0.223 229 1HG2 VAL 27 1HG2 VAL 27 -0.824 -3.778 1.588 230 2HG2 VAL 27 2HG2 VAL 27 0.696 -3.547 0.690 231 3HG2 VAL 27 3HG2 VAL 27 -0.685 -4.296 -0.119 232 H SER 28 H SER 28 0.132 -7.763 3.734 233 HA SER 28 HA SER 28 2.371 -9.297 2.800 234 1HB SER 28 1HB SER 28 3.239 -9.907 5.067 235 2HB SER 28 2HB SER 28 3.369 -8.177 4.850 236 HG SER 28 HG SER 28 1.346 -7.985 5.953 237 H GLY 29 H GLY 29 2.353 -11.564 4.045 238 1HA GLY 29 1HA GLY 29 1.156 -13.383 4.804 239 2HA GLY 29 2HA GLY 29 -0.351 -12.473 4.713 240 H PHE 30 H PHE 30 0.499 -11.719 1.786 241 HA PHE 30 HA PHE 30 -0.950 -13.935 0.568 242 1HB PHE 30 1HB PHE 30 -1.092 -12.484 -1.354 243 2HB PHE 30 2HB PHE 30 -1.504 -11.625 0.087 244 HD1 PHE 30 HD1 PHE 30 1.012 -12.037 -2.565 245 HD2 PHE 30 HD2 PHE 30 -0.127 -9.657 0.853 246 HE1 PHE 30 HE1 PHE 30 2.922 -10.534 -2.978 247 HE2 PHE 30 HE2 PHE 30 1.819 -8.194 0.453 248 HZ PHE 30 HZ PHE 30 3.357 -8.671 -1.427 249 H HIS 31 H HIS 31 -0.174 -14.595 -1.688 250 HA HIS 31 HA HIS 31 2.571 -14.585 -2.467 251 1HB HIS 31 1HB HIS 31 3.285 -16.743 -2.042 252 2HB HIS 31 2HB HIS 31 2.651 -16.222 -0.495 253 HD2 HIS 31 HD2 HIS 31 1.557 -18.381 -3.538 254 HE1 HIS 31 HE1 HIS 31 -0.233 -19.940 -0.012 255 HE2 HIS 31 HE2 HIS 31 0.031 -20.335 -2.524 256 HA PRO 32 HA PRO 32 3.599 -15.911 -4.209 257 1HB PRO 32 1HB PRO 32 4.095 -16.026 -6.870 258 2HB PRO 32 2HB PRO 32 3.282 -17.347 -6.026 259 1HG PRO 32 1HG PRO 32 1.904 -15.068 -7.495 260 2HG PRO 32 2HG PRO 32 1.745 -16.822 -7.813 261 1HD PRO 32 1HD PRO 32 0.016 -15.543 -6.144 262 2HD PRO 32 2HD PRO 32 0.607 -17.192 -5.793 263 H SER 33 H SER 33 4.625 -14.276 -6.631 264 HA SER 33 HA SER 33 4.899 -11.875 -5.102 265 1HB SER 33 1HB SER 33 6.661 -11.417 -6.736 266 2HB SER 33 2HB SER 33 6.728 -13.136 -6.292 267 HG SER 33 HG SER 33 5.558 -12.052 -8.626 268 H ASP 34 H ASP 34 2.728 -12.654 -7.691 269 HA ASP 34 HA ASP 34 3.015 -10.137 -9.064 270 1HB ASP 34 1HB ASP 34 2.571 -12.182 -10.254 271 2HB ASP 34 2HB ASP 34 1.052 -12.430 -9.382 272 H ILE 35 H ILE 35 2.599 -8.709 -7.240 273 HA ILE 35 HA ILE 35 -0.294 -8.045 -7.082 274 HB ILE 35 HB ILE 35 0.551 -8.956 -5.045 275 1HG1 ILE 35 1HG1 ILE 35 0.087 -6.008 -4.544 276 2HG1 ILE 35 2HG1 ILE 35 -1.196 -7.116 -4.993 277 1HG2 ILE 35 1HG2 ILE 35 2.405 -6.601 -4.863 278 2HG2 ILE 35 2HG2 ILE 35 2.160 -7.882 -3.649 279 3HG2 ILE 35 3HG2 ILE 35 2.892 -8.292 -5.199 280 1HD1 ILE 35 1HD1 ILE 35 -0.447 -8.582 -3.000 281 2HD1 ILE 35 2HD1 ILE 35 0.469 -7.179 -2.465 282 3HD1 ILE 35 3HD1 ILE 35 -1.282 -7.048 -2.647 283 H GLU 36 H GLU 36 -0.919 -5.977 -7.027 284 HA GLU 36 HA GLU 36 0.901 -3.903 -8.132 285 1HB GLU 36 1HB GLU 36 -2.081 -3.966 -8.595 286 2HB GLU 36 2HB GLU 36 -0.804 -3.165 -9.505 287 1HG GLU 36 1HG GLU 36 0.043 -5.448 -10.168 288 2HG GLU 36 2HG GLU 36 -1.362 -6.153 -9.379 289 H VAL 37 H VAL 37 1.111 -2.159 -6.779 290 HA VAL 37 HA VAL 37 -1.155 -1.290 -5.109 291 HB VAL 37 HB VAL 37 1.630 -1.772 -3.985 292 1HG1 VAL 37 1HG1 VAL 37 0.340 0.144 -2.880 293 2HG1 VAL 37 2HG1 VAL 37 -0.902 -1.049 -2.453 294 3HG1 VAL 37 3HG1 VAL 37 0.739 -1.213 -1.819 295 1HG2 VAL 37 1HG2 VAL 37 0.562 -3.904 -4.240 296 2HG2 VAL 37 2HG2 VAL 37 0.358 -3.459 -2.538 297 3HG2 VAL 37 3HG2 VAL 37 -0.999 -3.281 -3.648 298 H ASP 38 H ASP 38 -1.138 0.073 -7.049 299 HA ASP 38 HA ASP 38 0.870 2.197 -7.139 300 1HB ASP 38 1HB ASP 38 -1.805 2.177 -8.602 301 2HB ASP 38 2HB ASP 38 -0.338 3.067 -8.968 302 H LEU 39 H LEU 39 0.674 4.196 -6.199 303 HA LEU 39 HA LEU 39 -1.491 4.570 -4.233 304 1HB LEU 39 1HB LEU 39 1.099 6.026 -4.807 305 2HB LEU 39 2HB LEU 39 -0.084 6.527 -3.588 306 HG LEU 39 HG LEU 39 0.383 3.708 -3.211 307 1HD1 LEU 39 1HD1 LEU 39 2.946 5.284 -3.511 308 2HD1 LEU 39 2HD1 LEU 39 2.803 3.719 -2.679 309 3HD1 LEU 39 3HD1 LEU 39 2.435 3.829 -4.410 310 1HD2 LEU 39 1HD2 LEU 39 -0.281 5.355 -1.495 311 2HD2 LEU 39 2HD2 LEU 39 1.200 4.494 -1.003 312 3HD2 LEU 39 3HD2 LEU 39 1.290 6.144 -1.651 313 H LEU 40 H LEU 40 -3.094 6.016 -4.430 314 HA LEU 40 HA LEU 40 -3.343 7.545 -6.956 315 1HB LEU 40 1HB LEU 40 -4.130 4.979 -6.862 316 2HB LEU 40 2HB LEU 40 -5.515 5.675 -6.043 317 HG LEU 40 HG LEU 40 -6.014 5.414 -8.356 318 1HD1 LEU 40 1HD1 LEU 40 -6.838 7.542 -7.289 319 2HD1 LEU 40 2HD1 LEU 40 -5.443 8.390 -7.994 320 3HD1 LEU 40 3HD1 LEU 40 -6.649 7.642 -9.051 321 1HD2 LEU 40 1HD2 LEU 40 -3.571 5.407 -9.083 322 2HD2 LEU 40 2HD2 LEU 40 -4.702 6.242 -10.172 323 3HD2 LEU 40 3HD2 LEU 40 -3.669 7.178 -9.093 324 H LYS 41 H LYS 41 -3.877 9.608 -6.206 325 HA LYS 41 HA LYS 41 -5.109 9.883 -3.604 326 1HB LYS 41 1HB LYS 41 -4.358 11.930 -5.681 327 2HB LYS 41 2HB LYS 41 -4.644 12.226 -3.945 328 1HG LYS 41 1HG LYS 41 -2.702 11.211 -3.292 329 2HG LYS 41 2HG LYS 41 -2.531 10.188 -4.702 330 1HD LYS 41 1HD LYS 41 -0.919 11.941 -4.696 331 2HD LYS 41 2HD LYS 41 -1.904 11.977 -6.134 332 1HE LYS 41 1HE LYS 41 -3.040 13.903 -5.546 333 2HE LYS 41 2HE LYS 41 -2.807 13.654 -3.810 334 1HZ LYS 41 1HZ LYS 41 -0.548 14.277 -4.020 335 2HZ LYS 41 2HZ LYS 41 -0.678 14.442 -5.665 336 3HZ LYS 41 3HZ LYS 41 -1.491 15.470 -4.659 337 H ASN 42 H ASN 42 -6.391 12.445 -4.988 338 HA ASN 42 HA ASN 42 -9.127 11.556 -4.988 339 1HB ASN 42 1HB ASN 42 -9.656 13.804 -5.543 340 2HB ASN 42 2HB ASN 42 -8.253 13.926 -4.480 341 1HD2 ASN 42 2HD2 ASN 42 -6.017 13.927 -5.790 342 2HD2 ASN 42 1HD2 ASN 42 -6.016 14.877 -7.254 343 H GLY 43 H GLY 43 -6.684 12.068 -7.505 344 1HA GLY 43 1HA GLY 43 -7.715 10.032 -9.160 345 2HA GLY 43 2HA GLY 43 -8.264 11.592 -9.814 346 H GLU 44 H GLU 44 -5.236 10.784 -8.087 347 HA GLU 44 HA GLU 44 -3.602 11.474 -10.495 348 1HB GLU 44 1HB GLU 44 -3.816 13.449 -9.098 349 2HB GLU 44 2HB GLU 44 -3.404 12.520 -7.661 350 1HG GLU 44 1HG GLU 44 -1.118 12.063 -8.711 351 2HG GLU 44 2HG GLU 44 -1.574 13.172 -10.011 352 H ARG 45 H ARG 45 -2.306 9.854 -10.937 353 HA ARG 45 HA ARG 45 -1.586 7.731 -9.048 354 1HB ARG 45 1HB ARG 45 -2.068 7.107 -11.325 355 2HB ARG 45 2HB ARG 45 -0.967 8.343 -11.960 356 1HG ARG 45 1HG ARG 45 0.978 7.171 -11.101 357 2HG ARG 45 2HG ARG 45 -0.045 5.962 -10.293 358 1HD ARG 45 1HD ARG 45 -0.760 5.056 -12.405 359 2HD ARG 45 2HD ARG 45 -0.180 6.472 -13.290 360 HE ARG 45 HE ARG 45 1.969 5.667 -13.334 361 1HH1 ARG 45 1HH2 ARG 45 0.084 3.714 -11.051 362 2HH1 ARG 45 2HH2 ARG 45 1.331 2.518 -10.848 363 1HH2 ARG 45 1HH1 ARG 45 3.593 4.161 -13.046 364 2HH2 ARG 45 2HH1 ARG 45 3.369 2.777 -11.987 365 H ILE 46 H ILE 46 0.182 7.783 -7.738 366 HA ILE 46 HA ILE 46 2.158 9.894 -8.063 367 HB ILE 46 HB ILE 46 1.703 7.777 -5.930 368 1HG1 ILE 46 1HG1 ILE 46 0.462 10.537 -6.189 369 2HG1 ILE 46 2HG1 ILE 46 -0.375 8.980 -6.056 370 1HG2 ILE 46 1HG2 ILE 46 3.090 10.463 -5.877 371 2HG2 ILE 46 2HG2 ILE 46 3.028 9.259 -4.553 372 3HG2 ILE 46 3HG2 ILE 46 3.916 8.889 -6.032 373 1HD1 ILE 46 1HD1 ILE 46 0.858 8.725 -3.770 374 2HD1 ILE 46 2HD1 ILE 46 1.126 10.479 -3.960 375 3HD1 ILE 46 3HD1 ILE 46 -0.521 9.810 -3.891 376 H GLU 47 H GLU 47 3.438 9.110 -9.865 377 HA GLU 47 HA GLU 47 4.489 6.394 -9.770 378 1HB GLU 47 1HB GLU 47 3.600 7.642 -11.769 379 2HB GLU 47 2HB GLU 47 5.064 8.634 -11.746 380 1HG GLU 47 1HG GLU 47 6.430 6.753 -12.204 381 2HG GLU 47 2HG GLU 47 5.162 5.590 -11.780 382 H LYS 48 H LYS 48 5.210 7.533 -7.481 383 HA LYS 48 HA LYS 48 8.143 7.655 -7.643 384 1HB LYS 48 1HB LYS 48 6.468 9.814 -6.274 385 2HB LYS 48 2HB LYS 48 8.200 9.546 -6.001 386 1HG LYS 48 1HG LYS 48 8.643 9.954 -8.416 387 2HG LYS 48 2HG LYS 48 6.921 10.335 -8.647 388 1HD LYS 48 1HD LYS 48 7.078 12.152 -6.990 389 2HD LYS 48 2HD LYS 48 8.802 11.798 -6.746 390 1HE LYS 48 1HE LYS 48 9.267 12.322 -9.115 391 2HE LYS 48 2HE LYS 48 7.540 12.620 -9.404 392 1HZ LYS 48 1HZ LYS 48 9.240 14.140 -7.554 393 2HZ LYS 48 2HZ LYS 48 8.758 14.638 -9.049 394 3HZ LYS 48 3HZ LYS 48 7.644 14.420 -7.855 395 H VAL 49 H VAL 49 7.134 5.469 -7.087 396 HA VAL 49 HA VAL 49 6.646 5.190 -4.162 397 HB VAL 49 HB VAL 49 6.356 3.032 -6.284 398 1HG1 VAL 49 1HG1 VAL 49 6.465 2.315 -3.921 399 2HG1 VAL 49 2HG1 VAL 49 5.140 3.421 -3.515 400 3HG1 VAL 49 3HG1 VAL 49 4.853 2.041 -4.597 401 1HG2 VAL 49 1HG2 VAL 49 4.267 5.067 -5.441 402 2HG2 VAL 49 2HG2 VAL 49 4.877 4.756 -7.080 403 3HG2 VAL 49 3HG2 VAL 49 3.906 3.528 -6.267 404 H GLU 50 H GLU 50 8.421 4.515 -2.952 405 HA GLU 50 HA GLU 50 10.464 2.845 -4.328 406 1HB GLU 50 1HB GLU 50 11.306 4.973 -3.267 407 2HB GLU 50 2HB GLU 50 10.739 4.344 -1.709 408 1HG GLU 50 1HG GLU 50 13.163 4.015 -2.109 409 2HG GLU 50 2HG GLU 50 12.319 2.487 -1.835 410 H HIS 51 H HIS 51 11.111 0.927 -3.071 411 HA HIS 51 HA HIS 51 9.091 0.060 -1.087 412 1HB HIS 51 1HB HIS 51 8.616 -1.995 -2.299 413 2HB HIS 51 2HB HIS 51 8.229 -0.610 -3.320 414 HD2 HIS 51 HD2 HIS 51 9.979 -0.213 -5.525 415 HE1 HIS 51 HE1 HIS 51 11.841 -3.995 -5.141 416 HE2 HIS 51 HE2 HIS 51 11.548 -1.972 -6.672 417 H SER 52 H SER 52 9.692 -1.613 0.224 418 HA SER 52 HA SER 52 12.576 -1.759 0.699 419 1HB SER 52 1HB SER 52 10.860 -1.432 2.510 420 2HB SER 52 2HB SER 52 10.321 -3.098 2.236 421 HG SER 52 HG SER 52 11.901 -2.940 3.888 422 H ASP 53 H ASP 53 12.628 -2.811 -1.577 423 HA ASP 53 HA ASP 53 13.001 -4.572 -2.924 424 1HB ASP 53 1HB ASP 53 14.757 -4.693 -1.051 425 2HB ASP 53 2HB ASP 53 13.853 -6.068 -0.418 426 H LEU 54 H LEU 54 12.819 -7.485 -1.978 427 HA LEU 54 HA LEU 54 9.912 -7.761 -1.481 428 1HB LEU 54 1HB LEU 54 10.593 -8.473 -3.825 429 2HB LEU 54 2HB LEU 54 11.646 -9.683 -3.096 430 HG LEU 54 HG LEU 54 9.587 -10.732 -3.812 431 1HD1 LEU 54 1HD1 LEU 54 10.617 -11.396 -1.571 432 2HD1 LEU 54 2HD1 LEU 54 9.161 -10.629 -0.858 433 3HD1 LEU 54 3HD1 LEU 54 9.001 -11.953 -1.999 434 1HD2 LEU 54 1HD2 LEU 54 8.068 -8.726 -2.134 435 2HD2 LEU 54 2HD2 LEU 54 8.099 -8.829 -3.911 436 3HD2 LEU 54 3HD2 LEU 54 7.365 -10.098 -2.926 437 H SER 55 H SER 55 9.607 -8.679 0.457 438 HA SER 55 HA SER 55 11.833 -10.191 1.773 439 1HB SER 55 1HB SER 55 11.652 -7.907 2.711 440 2HB SER 55 2HB SER 55 9.934 -8.185 3.048 441 HG SER 55 HG SER 55 12.176 -9.554 4.130 442 H PHE 56 H PHE 56 10.861 -12.141 1.017 443 HA PHE 56 HA PHE 56 8.092 -12.729 1.832 444 1HB PHE 56 1HB PHE 56 8.239 -14.670 0.602 445 2HB PHE 56 2HB PHE 56 8.961 -13.414 -0.369 446 HD1 PHE 56 HD1 PHE 56 11.624 -13.314 -0.336 447 HD2 PHE 56 HD2 PHE 56 9.174 -16.723 0.588 448 HE1 PHE 56 HE1 PHE 56 13.500 -14.818 -0.934 449 HE2 PHE 56 HE2 PHE 56 11.026 -18.238 -0.076 450 HZ PHE 56 HZ PHE 56 13.199 -17.284 -0.824 451 H SER 57 H SER 57 10.582 -12.375 3.737 452 HA SER 57 HA SER 57 11.426 -13.220 5.607 453 1HB SER 57 1HB SER 57 9.163 -12.737 6.297 454 2HB SER 57 2HB SER 57 8.637 -14.390 5.918 455 HG SER 57 HG SER 57 10.165 -15.090 7.479 456 H LYS 58 H LYS 58 12.519 -14.807 3.775 457 HA LYS 58 HA LYS 58 12.036 -16.825 2.374 458 1HB LYS 58 1HB LYS 58 14.265 -16.239 3.609 459 2HB LYS 58 2HB LYS 58 13.791 -17.452 4.807 460 1HG LYS 58 1HG LYS 58 13.867 -19.201 3.055 461 2HG LYS 58 2HG LYS 58 14.165 -17.967 1.814 462 1HD LYS 58 1HD LYS 58 16.301 -17.383 2.810 463 2HD LYS 58 2HD LYS 58 16.005 -18.448 4.199 464 1HE LYS 58 1HE LYS 58 16.045 -20.426 2.735 465 2HE LYS 58 2HE LYS 58 16.246 -19.392 1.307 466 1HZ LYS 58 1HZ LYS 58 18.152 -19.650 3.526 467 2HZ LYS 58 2HZ LYS 58 18.319 -20.284 2.014 468 3HZ LYS 58 3HZ LYS 58 18.332 -18.652 2.226 469 H ASP 59 H ASP 59 9.697 -16.719 3.488 470 HA ASP 59 HA ASP 59 9.179 -19.330 4.734 471 1HB ASP 59 1HB ASP 59 8.573 -17.174 5.801 472 2HB ASP 59 2HB ASP 59 7.470 -16.844 4.462 473 H TRP 60 H TRP 60 6.648 -19.898 4.133 474 HA TRP 60 HA TRP 60 6.245 -20.333 1.299 475 1HB TRP 60 1HB TRP 60 4.280 -20.466 3.604 476 2HB TRP 60 2HB TRP 60 4.072 -21.147 1.991 477 HD1 TRP 60 HD1 TRP 60 6.039 -21.662 5.224 478 HE1 TRP 60 HE1 TRP 60 6.917 -24.091 5.346 479 HE3 TRP 60 HE3 TRP 60 4.687 -23.267 0.553 480 HZ2 TRP 60 HZ2 TRP 60 7.054 -26.377 3.639 481 HZ3 TRP 60 HZ3 TRP 60 5.221 -25.572 -0.173 482 HH2 TRP 60 HH2 TRP 60 6.418 -27.127 1.350 483 H SER 61 H SER 61 5.376 -17.890 3.737 484 HA SER 61 HA SER 61 3.418 -16.458 2.229 485 1HB SER 61 1HB SER 61 3.769 -16.387 4.721 486 2HB SER 61 2HB SER 61 5.248 -15.445 4.443 487 HG SER 61 HG SER 61 3.403 -14.149 4.862 488 H PHE 62 H PHE 62 4.123 -13.869 2.151 489 HA PHE 62 HA PHE 62 6.477 -13.308 0.592 490 1HB PHE 62 1HB PHE 62 4.472 -14.629 -0.809 491 2HB PHE 62 2HB PHE 62 4.084 -12.945 -1.118 492 HD1 PHE 62 HD1 PHE 62 6.755 -15.540 -1.305 493 HD2 PHE 62 HD2 PHE 62 5.531 -11.615 -2.646 494 HE1 PHE 62 HE1 PHE 62 8.484 -15.600 -3.003 495 HE2 PHE 62 HE2 PHE 62 7.218 -11.719 -4.395 496 HZ PHE 62 HZ PHE 62 8.729 -13.689 -4.613 497 H TYR 63 H TYR 63 6.762 -11.001 0.762 498 HA TYR 63 HA TYR 63 4.421 -9.313 0.756 499 1HB TYR 63 1HB TYR 63 4.738 -8.303 2.992 500 2HB TYR 63 2HB TYR 63 4.267 -10.001 3.047 501 HD1 TYR 63 HD1 TYR 63 7.018 -7.679 3.649 502 HD2 TYR 63 HD2 TYR 63 5.499 -11.686 4.111 503 HE1 TYR 63 HE1 TYR 63 8.638 -8.066 5.454 504 HE2 TYR 63 HE2 TYR 63 7.051 -12.065 5.967 505 HH TYR 63 HH TYR 63 8.668 -11.100 7.389 506 H LEU 64 H LEU 64 5.082 -7.007 1.376 507 HA LEU 64 HA LEU 64 7.764 -6.183 1.174 508 1HB LEU 64 1HB LEU 64 7.854 -5.149 -1.004 509 2HB LEU 64 2HB LEU 64 7.669 -6.877 -1.162 510 HG LEU 64 HG LEU 64 5.605 -4.724 -1.676 511 1HD1 LEU 64 1HD1 LEU 64 6.660 -6.920 -3.513 512 2HD1 LEU 64 2HD1 LEU 64 5.545 -5.635 -3.958 513 3HD1 LEU 64 3HD1 LEU 64 7.218 -5.226 -3.547 514 1HD2 LEU 64 1HD2 LEU 64 5.288 -7.735 -1.599 515 2HD2 LEU 64 2HD2 LEU 64 4.260 -6.518 -0.769 516 3HD2 LEU 64 3HD2 LEU 64 4.187 -6.722 -2.525 517 H LEU 65 H LEU 65 7.962 -3.938 1.405 518 HA LEU 65 HA LEU 65 5.505 -2.532 2.284 519 1HB LEU 65 1HB LEU 65 7.721 -3.067 3.685 520 2HB LEU 65 2HB LEU 65 8.348 -1.668 2.806 521 HG LEU 65 HG LEU 65 5.957 -1.813 4.689 522 1HD1 LEU 65 1HD1 LEU 65 8.648 -0.409 4.808 523 2HD1 LEU 65 2HD1 LEU 65 7.360 -0.243 6.013 524 3HD1 LEU 65 3HD1 LEU 65 8.137 -1.817 5.756 525 1HD2 LEU 65 1HD2 LEU 65 6.821 0.346 2.766 526 2HD2 LEU 65 2HD2 LEU 65 5.185 -0.219 3.146 527 3HD2 LEU 65 3HD2 LEU 65 6.063 0.783 4.307 528 H TYR 66 H TYR 66 4.904 -0.700 1.118 529 HA TYR 66 HA TYR 66 6.641 0.184 -1.130 530 1HB TYR 66 1HB TYR 66 3.635 0.039 -1.452 531 2HB TYR 66 2HB TYR 66 4.891 0.007 -2.664 532 HD1 TYR 66 HD1 TYR 66 3.732 -2.156 0.280 533 HD2 TYR 66 HD2 TYR 66 4.782 -2.001 -3.919 534 HE1 TYR 66 HE1 TYR 66 2.674 -4.312 -0.067 535 HE2 TYR 66 HE2 TYR 66 3.556 -4.120 -4.261 536 HH TYR 66 HH TYR 66 1.710 -5.685 -1.629 537 H TYR 67 H TYR 67 7.213 2.102 -0.225 538 HA TYR 67 HA TYR 67 5.066 3.840 0.848 539 1HB TYR 67 1HB TYR 67 7.062 4.944 1.989 540 2HB TYR 67 2HB TYR 67 6.315 3.481 2.556 541 HD1 TYR 67 HD1 TYR 67 8.999 4.205 -0.023 542 HD2 TYR 67 HD2 TYR 67 7.891 2.113 3.566 543 HE1 TYR 67 HE1 TYR 67 11.093 2.905 -0.113 544 HE2 TYR 67 HE2 TYR 67 9.932 0.731 3.393 545 HH TYR 67 HH TYR 67 11.915 0.353 2.238 546 H THR 68 H THR 68 4.985 5.926 0.486 547 HA THR 68 HA THR 68 6.835 7.252 -1.481 548 HB THR 68 HB THR 68 4.797 6.610 -2.536 549 HG1 THR 68 HG1 THR 68 5.882 8.337 -3.325 550 1HG2 THR 68 1HG2 THR 68 2.726 7.828 -2.124 551 2HG2 THR 68 2HG2 THR 68 3.187 6.891 -0.681 552 3HG2 THR 68 3HG2 THR 68 3.424 8.655 -0.730 553 H GLU 69 H GLU 69 7.255 9.549 -0.973 554 HA GLU 69 HA GLU 69 6.865 10.368 1.809 555 1HB GLU 69 1HB GLU 69 8.258 12.316 1.082 556 2HB GLU 69 2HB GLU 69 9.023 10.732 0.955 557 1HG GLU 69 1HG GLU 69 8.868 10.683 -1.419 558 2HG GLU 69 2HG GLU 69 7.711 12.019 -1.467 559 H PHE 70 H PHE 70 4.404 10.404 1.487 560 HA PHE 70 HA PHE 70 3.374 12.291 -0.384 561 1HB PHE 70 1HB PHE 70 1.260 11.840 0.321 562 2HB PHE 70 2HB PHE 70 2.107 10.287 0.313 563 HD1 PHE 70 HD1 PHE 70 -0.632 10.920 1.549 564 HD2 PHE 70 HD2 PHE 70 3.298 11.153 3.312 565 HE1 PHE 70 HE1 PHE 70 -1.253 9.329 3.301 566 HE2 PHE 70 HE2 PHE 70 2.385 10.195 5.398 567 HZ PHE 70 HZ PHE 70 0.177 9.079 5.325 568 H THR 71 H THR 71 2.502 14.168 -0.217 569 HA THR 71 HA THR 71 2.847 15.807 2.255 570 HB THR 71 HB THR 71 2.978 16.566 -0.638 571 HG1 THR 71 HG1 THR 71 5.165 16.686 -0.149 572 1HG2 THR 71 1HG2 THR 71 3.549 18.106 1.940 573 2HG2 THR 71 2HG2 THR 71 3.915 18.671 0.298 574 3HG2 THR 71 3HG2 THR 71 2.229 18.446 0.797 575 HA PRO 72 HA PRO 72 -1.712 15.476 1.379 576 1HB PRO 72 1HB PRO 72 -2.704 15.745 3.919 577 2HB PRO 72 2HB PRO 72 -1.967 14.245 3.299 578 1HG PRO 72 1HG PRO 72 -0.625 16.394 4.951 579 2HG PRO 72 2HG PRO 72 -0.622 14.630 5.232 580 1HD PRO 72 1HD PRO 72 1.415 15.896 3.963 581 2HD PRO 72 2HD PRO 72 0.880 14.263 3.442 582 H THR 73 H THR 73 -1.828 17.421 0.173 583 HA THR 73 HA THR 73 -1.835 20.012 1.547 584 HB THR 73 HB THR 73 -2.171 20.984 -0.622 585 HG1 THR 73 HG1 THR 73 -2.390 18.321 -1.555 586 1HG2 THR 73 1HG2 THR 73 -0.103 20.315 -1.720 587 2HG2 THR 73 2HG2 THR 73 0.141 20.371 0.038 588 3HG2 THR 73 3HG2 THR 73 -0.042 18.810 -0.792 589 H GLU 74 H GLU 74 -3.598 20.833 2.449 590 HA GLU 74 HA GLU 74 -5.696 21.251 3.075 591 1HB GLU 74 1HB GLU 74 -5.524 22.355 0.886 592 2HB GLU 74 2HB GLU 74 -6.254 20.966 0.091 593 1HG GLU 74 1HG GLU 74 -8.320 21.323 1.529 594 2HG GLU 74 2HG GLU 74 -7.528 22.744 2.224 595 H LYS 75 H LYS 75 -7.191 19.312 0.555 596 HA LYS 75 HA LYS 75 -8.328 17.504 2.640 597 1HB LYS 75 1HB LYS 75 -10.247 17.336 1.162 598 2HB LYS 75 2HB LYS 75 -9.942 19.009 1.593 599 1HG LYS 75 1HG LYS 75 -9.384 19.653 -0.512 600 2HG LYS 75 2HG LYS 75 -8.590 18.142 -0.939 601 1HD LYS 75 1HD LYS 75 -11.615 18.428 -0.756 602 2HD LYS 75 2HD LYS 75 -10.663 18.653 -2.235 603 1HE LYS 75 1HE LYS 75 -9.756 16.327 -1.999 604 2HE LYS 75 2HE LYS 75 -10.827 16.070 -0.613 605 1HZ LYS 75 1HZ LYS 75 -11.655 16.642 -3.362 606 2HZ LYS 75 2HZ LYS 75 -11.765 15.208 -2.555 607 3HZ LYS 75 3HZ LYS 75 -12.682 16.494 -2.074 608 H ASP 76 H ASP 76 -5.726 17.161 1.011 609 HA ASP 76 HA ASP 76 -6.075 15.398 -1.066 610 1HB ASP 76 1HB ASP 76 -3.887 16.191 0.753 611 2HB ASP 76 2HB ASP 76 -3.692 14.548 0.189 612 H GLU 77 H GLU 77 -7.116 13.586 -1.211 613 HA GLU 77 HA GLU 77 -7.533 11.802 1.090 614 1HB GLU 77 1HB GLU 77 -9.384 11.024 -0.399 615 2HB GLU 77 2HB GLU 77 -9.525 12.688 0.169 616 1HG GLU 77 1HG GLU 77 -8.832 13.551 -2.019 617 2HG GLU 77 2HG GLU 77 -8.536 11.906 -2.608 618 H TYR 78 H TYR 78 -5.198 11.142 0.713 619 HA TYR 78 HA TYR 78 -4.424 9.736 -1.632 620 1HB TYR 78 1HB TYR 78 -3.335 9.972 1.142 621 2HB TYR 78 2HB TYR 78 -2.751 8.685 0.104 622 HD1 TYR 78 HD1 TYR 78 -0.736 9.159 -0.953 623 HD2 TYR 78 HD2 TYR 78 -3.583 12.342 -0.362 624 HE1 TYR 78 HE1 TYR 78 0.861 10.779 -1.876 625 HE2 TYR 78 HE2 TYR 78 -2.076 13.894 -1.566 626 HH TYR 78 HH TYR 78 1.171 12.908 -2.703 627 H ALA 79 H ALA 79 -4.377 7.588 -2.141 628 HA ALA 79 HA ALA 79 -5.487 5.614 -0.278 629 1HB ALA 79 1HB ALA 79 -7.376 6.666 -1.723 630 2HB ALA 79 2HB ALA 79 -6.620 5.851 -3.100 631 3HB ALA 79 3HB ALA 79 -7.237 4.895 -1.752 632 H CYS 80 H CYS 80 -5.362 3.429 -1.244 633 HA CYS 80 HA CYS 80 -3.039 3.101 -3.090 634 1HB CYS 80 1HB CYS 80 -3.345 2.202 -0.265 635 2HB CYS 80 2HB CYS 80 -2.799 0.960 -1.399 636 H ARG 81 H ARG 81 -3.432 1.836 -4.706 637 HA ARG 81 HA ARG 81 -5.811 0.192 -4.980 638 1HB ARG 81 1HB ARG 81 -4.653 1.011 -6.949 639 2HB ARG 81 2HB ARG 81 -3.152 0.223 -6.437 640 1HG ARG 81 1HG ARG 81 -4.200 -1.994 -6.633 641 2HG ARG 81 2HG ARG 81 -5.738 -1.250 -7.080 642 1HD ARG 81 1HD ARG 81 -3.130 -0.935 -8.616 643 2HD ARG 81 2HD ARG 81 -4.361 -2.146 -9.009 644 HE ARG 81 HE ARG 81 -5.875 0.060 -9.040 645 1HH1 ARG 81 1HH2 ARG 81 -2.649 -0.353 -10.524 646 2HH1 ARG 81 2HH2 ARG 81 -3.108 0.468 -11.988 647 1HH2 ARG 81 1HH1 ARG 81 -6.374 1.256 -10.909 648 2HH2 ARG 81 2HH1 ARG 81 -5.175 1.480 -12.158 649 H VAL 82 H VAL 82 -6.058 -1.977 -4.300 650 HA VAL 82 HA VAL 82 -3.605 -3.431 -3.429 651 HB VAL 82 HB VAL 82 -6.364 -3.592 -2.153 652 1HG1 VAL 82 1HG1 VAL 82 -4.973 -5.656 -2.129 653 2HG1 VAL 82 2HG1 VAL 82 -3.667 -4.737 -1.345 654 3HG1 VAL 82 3HG1 VAL 82 -5.227 -4.982 -0.517 655 1HG2 VAL 82 1HG2 VAL 82 -5.393 -1.406 -1.575 656 2HG2 VAL 82 2HG2 VAL 82 -5.373 -2.480 -0.195 657 3HG2 VAL 82 3HG2 VAL 82 -3.870 -2.192 -1.101 658 H ASN 83 H ASN 83 -3.327 -4.720 -5.203 659 HA ASN 83 HA ASN 83 -5.586 -6.495 -5.942 660 1HB ASN 83 1HB ASN 83 -5.510 -4.430 -7.420 661 2HB ASN 83 2HB ASN 83 -3.982 -5.008 -8.042 662 1HD2 ASN 83 2HD2 ASN 83 -4.392 -5.837 -10.087 663 2HD2 ASN 83 1HD2 ASN 83 -5.698 -6.945 -10.456 664 H HIS 84 H HIS 84 -4.399 -8.195 -4.898 665 HA HIS 84 HA HIS 84 -1.750 -9.043 -5.943 666 1HB HIS 84 1HB HIS 84 -2.330 -9.548 -3.640 667 2HB HIS 84 2HB HIS 84 -3.780 -10.390 -4.157 668 HD2 HIS 84 HD2 HIS 84 0.153 -10.901 -4.627 669 HE1 HIS 84 HE1 HIS 84 -1.898 -14.583 -4.942 670 HE2 HIS 84 HE2 HIS 84 0.438 -13.462 -4.919 671 H VAL 85 H VAL 85 -1.742 -11.007 -7.387 672 HA VAL 85 HA VAL 85 -3.567 -10.936 -9.463 673 HB VAL 85 HB VAL 85 -1.378 -11.932 -9.624 674 1HG1 VAL 85 1HG1 VAL 85 -2.484 -14.332 -8.095 675 2HG1 VAL 85 2HG1 VAL 85 -0.928 -14.258 -8.937 676 3HG1 VAL 85 3HG1 VAL 85 -1.216 -13.208 -7.545 677 1HG2 VAL 85 1HG2 VAL 85 -3.127 -12.447 -11.309 678 2HG2 VAL 85 2HG2 VAL 85 -1.909 -13.725 -11.155 679 3HG2 VAL 85 3HG2 VAL 85 -3.512 -13.945 -10.431 680 H THR 86 H THR 86 -3.906 -12.781 -6.445 681 HA THR 86 HA THR 86 -6.034 -14.431 -7.440 682 HB THR 86 HB THR 86 -4.422 -14.940 -5.595 683 HG1 THR 86 HG1 THR 86 -6.255 -16.185 -6.128 684 1HG2 THR 86 1HG2 THR 86 -6.503 -13.693 -3.787 685 2HG2 THR 86 2HG2 THR 86 -4.873 -14.284 -3.382 686 3HG2 THR 86 3HG2 THR 86 -5.082 -12.766 -4.289 687 H LEU 87 H LEU 87 -6.006 -11.115 -6.204 688 HA LEU 87 HA LEU 87 -8.862 -11.067 -5.586 689 1HB LEU 87 1HB LEU 87 -6.732 -8.955 -6.019 690 2HB LEU 87 2HB LEU 87 -8.435 -8.543 -6.032 691 HG LEU 87 HG LEU 87 -8.814 -9.285 -3.810 692 1HD1 LEU 87 1HD1 LEU 87 -7.359 -11.240 -3.620 693 2HD1 LEU 87 2HD1 LEU 87 -5.918 -10.211 -3.778 694 3HD1 LEU 87 3HD1 LEU 87 -6.966 -10.079 -2.352 695 1HD2 LEU 87 1HD2 LEU 87 -6.239 -7.653 -3.943 696 2HD2 LEU 87 2HD2 LEU 87 -7.879 -7.012 -4.184 697 3HD2 LEU 87 3HD2 LEU 87 -7.405 -7.680 -2.611 698 H SER 88 H SER 88 -10.473 -10.949 -7.000 699 HA SER 88 HA SER 88 -10.070 -10.889 -9.862 700 1HB SER 88 1HB SER 88 -11.913 -12.119 -8.760 701 2HB SER 88 2HB SER 88 -12.598 -10.583 -8.186 702 HG SER 88 HG SER 88 -12.153 -11.276 -10.905 703 H GLN 89 H GLN 89 -10.608 -8.451 -7.338 704 HA GLN 89 HA GLN 89 -10.983 -6.354 -9.383 705 1HB GLN 89 1HB GLN 89 -13.061 -6.182 -8.656 706 2HB GLN 89 2HB GLN 89 -12.790 -7.274 -7.296 707 1HG GLN 89 1HG GLN 89 -11.945 -5.470 -5.909 708 2HG GLN 89 2HG GLN 89 -12.065 -4.330 -7.270 709 1HE2 GLN 89 2HE2 GLN 89 -13.275 -3.452 -5.115 710 2HE2 GLN 89 1HE2 GLN 89 -15.011 -3.684 -5.167 711 HA PRO 90 HA PRO 90 -7.664 -4.533 -6.880 712 1HB PRO 90 1HB PRO 90 -7.498 -2.091 -8.119 713 2HB PRO 90 2HB PRO 90 -6.949 -3.589 -8.922 714 1HG PRO 90 1HG PRO 90 -9.578 -2.157 -9.295 715 2HG PRO 90 2HG PRO 90 -8.471 -2.796 -10.540 716 1HD PRO 90 1HD PRO 90 -10.671 -4.159 -9.637 717 2HD PRO 90 2HD PRO 90 -9.181 -5.002 -10.169 718 H LYS 91 H LYS 91 -8.513 -4.205 -4.810 719 HA LYS 91 HA LYS 91 -10.795 -2.360 -4.449 720 1HB LYS 91 1HB LYS 91 -10.926 -3.121 -2.211 721 2HB LYS 91 2HB LYS 91 -10.847 -4.497 -3.316 722 1HG LYS 91 1HG LYS 91 -8.383 -4.709 -2.738 723 2HG LYS 91 2HG LYS 91 -8.643 -3.442 -1.511 724 1HD LYS 91 1HD LYS 91 -10.390 -4.889 -0.445 725 2HD LYS 91 2HD LYS 91 -10.051 -6.137 -1.655 726 1HE LYS 91 1HE LYS 91 -8.868 -6.703 0.375 727 2HE LYS 91 2HE LYS 91 -7.679 -6.246 -0.854 728 1HZ LYS 91 1HZ LYS 91 -8.655 -4.500 1.294 729 2HZ LYS 91 2HZ LYS 91 -7.209 -5.291 1.274 730 3HZ LYS 91 3HZ LYS 91 -7.513 -4.108 0.170 731 H ILE 92 H ILE 92 -10.455 -0.221 -4.135 732 HA ILE 92 HA ILE 92 -7.707 0.676 -3.670 733 HB ILE 92 HB ILE 92 -10.079 2.425 -4.318 734 1HG1 ILE 92 1HG1 ILE 92 -10.166 0.768 -6.055 735 2HG1 ILE 92 2HG1 ILE 92 -9.507 2.272 -6.682 736 1HG2 ILE 92 1HG2 ILE 92 -8.017 3.500 -3.556 737 2HG2 ILE 92 2HG2 ILE 92 -7.068 2.635 -4.773 738 3HG2 ILE 92 3HG2 ILE 92 -8.283 3.830 -5.279 739 1HD1 ILE 92 1HD1 ILE 92 -7.225 1.333 -6.636 740 2HD1 ILE 92 2HD1 ILE 92 -7.854 -0.180 -5.936 741 3HD1 ILE 92 3HD1 ILE 92 -8.325 0.306 -7.568 742 H VAL 93 H VAL 93 -7.200 0.749 -1.502 743 HA VAL 93 HA VAL 93 -9.265 1.447 0.492 744 HB VAL 93 HB VAL 93 -6.403 0.470 0.810 745 1HG1 VAL 93 1HG1 VAL 93 -7.108 1.769 2.776 746 2HG1 VAL 93 2HG1 VAL 93 -8.656 0.900 2.829 747 3HG1 VAL 93 3HG1 VAL 93 -7.137 0.048 3.169 748 1HG2 VAL 93 1HG2 VAL 93 -9.096 -0.954 1.028 749 2HG2 VAL 93 2HG2 VAL 93 -7.844 -1.252 -0.196 750 3HG2 VAL 93 3HG2 VAL 93 -7.532 -1.651 1.498 751 H LYS 94 H LYS 94 -9.567 3.541 0.949 752 HA LYS 94 HA LYS 94 -7.601 5.615 0.499 753 1HB LYS 94 1HB LYS 94 -10.269 5.561 1.934 754 2HB LYS 94 2HB LYS 94 -9.275 7.014 1.766 755 1HG LYS 94 1HG LYS 94 -9.308 6.876 -0.642 756 2HG LYS 94 2HG LYS 94 -10.283 5.404 -0.634 757 1HD LYS 94 1HD LYS 94 -11.254 7.998 0.654 758 2HD LYS 94 2HD LYS 94 -11.347 7.742 -1.087 759 1HE LYS 94 1HE LYS 94 -13.472 7.186 -0.140 760 2HE LYS 94 2HE LYS 94 -12.721 5.720 -0.789 761 1HZ LYS 94 1HZ LYS 94 -12.714 6.508 2.044 762 2HZ LYS 94 2HZ LYS 94 -13.755 5.424 1.366 763 3HZ LYS 94 3HZ LYS 94 -12.145 5.092 1.416 764 H TRP 95 H TRP 95 -6.242 6.583 1.917 765 HA TRP 95 HA TRP 95 -5.384 5.176 4.284 766 1HB TRP 95 1HB TRP 95 -3.729 6.296 2.984 767 2HB TRP 95 2HB TRP 95 -4.678 7.772 2.915 768 HD1 TRP 95 HD1 TRP 95 -3.151 5.781 5.881 769 HE1 TRP 95 HE1 TRP 95 -1.934 7.482 7.425 770 HE3 TRP 95 HE3 TRP 95 -3.903 10.053 3.187 771 HZ2 TRP 95 HZ2 TRP 95 -1.509 10.325 7.530 772 HZ3 TRP 95 HZ3 TRP 95 -2.657 12.086 3.798 773 HH2 TRP 95 HH2 TRP 95 -1.575 12.290 6.000 774 H ASP 96 H ASP 96 -6.185 5.381 6.286 775 HA ASP 96 HA ASP 96 -7.665 7.830 7.113 776 1HB ASP 96 1HB ASP 96 -8.698 5.603 7.598 777 2HB ASP 96 2HB ASP 96 -7.281 5.202 8.587 778 H ARG 97 H ARG 97 -6.827 9.083 8.771 779 HA ARG 97 HA ARG 97 -4.011 9.381 8.823 780 1HB ARG 97 1HB ARG 97 -6.129 10.535 10.677 781 2HB ARG 97 2HB ARG 97 -4.448 11.078 10.564 782 1HG ARG 97 1HG ARG 97 -4.774 11.713 8.197 783 2HG ARG 97 2HG ARG 97 -6.452 11.146 8.260 784 1HD ARG 97 1HD ARG 97 -6.423 13.553 8.536 785 2HD ARG 97 2HD ARG 97 -6.958 12.774 10.040 786 HE ARG 97 HE ARG 97 -4.099 13.248 9.991 787 1HH1 ARG 97 1HH2 ARG 97 -7.206 14.852 10.600 788 2HH1 ARG 97 2HH2 ARG 97 -6.520 16.059 11.656 789 1HH2 ARG 97 1HH1 ARG 97 -3.200 14.868 11.340 790 2HH2 ARG 97 2HH1 ARG 97 -4.231 16.062 12.081 791 H ASP 98 H ASP 98 -6.088 7.441 10.859 792 HA ASP 98 HA ASP 98 -5.844 6.306 12.762 793 1HB ASP 98 1HB ASP 98 -4.301 5.052 11.366 794 2HB ASP 98 2HB ASP 98 -2.982 6.145 11.782 795 H MET 99 H MET 99 -6.390 8.423 13.718 796 HA MET 99 HA MET 99 -4.400 9.275 15.755 797 1HB MET 99 1HB MET 99 -6.133 11.091 14.011 798 2HB MET 99 2HB MET 99 -5.199 11.620 15.419 799 1HG MET 99 1HG MET 99 -4.027 10.408 12.891 800 2HG MET 99 2HG MET 99 -4.076 12.124 13.281 801 1HE MET 99 1HE MET 99 -1.561 10.295 12.415 802 2HE MET 99 2HE MET 99 -1.431 12.057 12.640 803 3HE MET 99 3HE MET 99 -0.285 10.959 13.456 Start of MODEL 20 1 1H MET 0 1H MET 0 -7.083 -20.272 -6.392 2 2H MET 0 2H MET 0 -6.526 -19.808 -4.912 3 3H MET 0 3H MET 0 -5.485 -19.924 -6.182 4 HA MET 0 HA MET 0 -6.933 -22.137 -4.928 5 1HB MET 0 1HB MET 0 -4.909 -22.173 -7.199 6 2HB MET 0 2HB MET 0 -5.566 -23.597 -6.370 7 1HG MET 0 1HG MET 0 -7.886 -22.771 -7.040 8 2HG MET 0 2HG MET 0 -7.081 -21.598 -8.091 9 1HE MET 0 1HE MET 0 -5.558 -22.214 -10.090 10 2HE MET 0 2HE MET 0 -4.559 -23.418 -9.237 11 3HE MET 0 3HE MET 0 -5.367 -23.850 -10.758 12 H ILE 1 H ILE 1 -6.138 -22.239 -2.903 13 HA ILE 1 HA ILE 1 -4.783 -22.397 -1.158 14 HB ILE 1 HB ILE 1 -2.602 -23.287 -3.057 15 1HG1 ILE 1 1HG1 ILE 1 -4.615 -24.563 -3.657 16 2HG1 ILE 1 2HG1 ILE 1 -3.396 -25.562 -2.896 17 1HG2 ILE 1 1HG2 ILE 1 -3.106 -23.741 -0.109 18 2HG2 ILE 1 2HG2 ILE 1 -2.165 -24.903 -1.062 19 3HG2 ILE 1 3HG2 ILE 1 -1.611 -23.247 -0.934 20 1HD1 ILE 1 1HD1 ILE 1 -4.642 -25.485 -0.741 21 2HD1 ILE 1 2HD1 ILE 1 -5.896 -24.490 -1.520 22 3HD1 ILE 1 3HD1 ILE 1 -5.606 -26.151 -2.068 23 H GLN 2 H GLN 2 -4.826 -19.857 -2.757 24 HA GLN 2 HA GLN 2 -2.228 -18.589 -2.117 25 1HB GLN 2 1HB GLN 2 -4.666 -17.775 -3.700 26 2HB GLN 2 2HB GLN 2 -3.333 -16.662 -3.342 27 1HG GLN 2 1HG GLN 2 -1.742 -17.955 -4.537 28 2HG GLN 2 2HG GLN 2 -2.789 -19.364 -4.617 29 1HE2 GLN 2 2HE2 GLN 2 -1.991 -16.314 -6.104 30 2HE2 GLN 2 1HE2 GLN 2 -3.081 -16.466 -7.466 31 H ARG 3 H ARG 3 -1.979 -17.254 -0.395 32 HA ARG 3 HA ARG 3 -4.138 -16.888 1.527 33 1HB ARG 3 1HB ARG 3 -1.224 -16.145 1.376 34 2HB ARG 3 2HB ARG 3 -2.277 -15.392 2.584 35 1HG ARG 3 1HG ARG 3 -1.111 -17.277 3.532 36 2HG ARG 3 2HG ARG 3 -2.856 -17.570 3.525 37 1HD ARG 3 1HD ARG 3 -2.658 -19.078 1.628 38 2HD ARG 3 2HD ARG 3 -0.941 -18.645 1.411 39 HE ARG 3 HE ARG 3 -1.209 -19.569 4.033 40 1HH1 ARG 3 1HH2 ARG 3 -1.634 -20.930 0.754 41 2HH1 ARG 3 2HH2 ARG 3 -1.197 -22.538 1.261 42 1HH2 ARG 3 1HH1 ARG 3 -0.588 -21.668 4.630 43 2HH2 ARG 3 2HH1 ARG 3 -0.579 -22.961 3.457 44 H THR 4 H THR 4 -5.173 -15.005 2.049 45 HA THR 4 HA THR 4 -5.551 -13.035 0.017 46 HB THR 4 HB THR 4 -7.341 -13.701 1.494 47 HG1 THR 4 HG1 THR 4 -6.646 -10.983 1.871 48 1HG2 THR 4 1HG2 THR 4 -5.853 -12.245 3.723 49 2HG2 THR 4 2HG2 THR 4 -7.484 -12.933 3.801 50 3HG2 THR 4 3HG2 THR 4 -6.085 -14.007 3.621 51 HA PRO 5 HA PRO 5 -2.272 -10.234 1.341 52 1HB PRO 5 1HB PRO 5 -3.111 -7.854 0.265 53 2HB PRO 5 2HB PRO 5 -2.418 -9.186 -0.705 54 1HG PRO 5 1HG PRO 5 -5.336 -8.532 -0.250 55 2HG PRO 5 2HG PRO 5 -4.517 -8.888 -1.797 56 1HD PRO 5 1HD PRO 5 -5.907 -10.788 -0.437 57 2HD PRO 5 2HD PRO 5 -4.398 -11.207 -1.291 58 H LYS 6 H LYS 6 -2.146 -9.825 3.449 59 HA LYS 6 HA LYS 6 -4.273 -8.473 4.953 60 1HB LYS 6 1HB LYS 6 -2.847 -10.412 5.809 61 2HB LYS 6 2HB LYS 6 -1.490 -9.272 5.871 62 1HG LYS 6 1HG LYS 6 -3.113 -7.762 7.247 63 2HG LYS 6 2HG LYS 6 -4.115 -9.210 7.404 64 1HD LYS 6 1HD LYS 6 -1.199 -8.918 8.276 65 2HD LYS 6 2HD LYS 6 -2.611 -8.896 9.346 66 1HE LYS 6 1HE LYS 6 -3.165 -11.233 8.629 67 2HE LYS 6 2HE LYS 6 -1.687 -11.264 7.645 68 1HZ LYS 6 1HZ LYS 6 -0.421 -10.919 9.627 69 2HZ LYS 6 2HZ LYS 6 -1.787 -10.896 10.550 70 3HZ LYS 6 3HZ LYS 6 -1.352 -12.273 9.757 71 H ILE 7 H ILE 7 -4.379 -6.332 4.621 72 HA ILE 7 HA ILE 7 -2.045 -4.744 3.738 73 HB ILE 7 HB ILE 7 -5.011 -4.177 3.833 74 1HG1 ILE 7 1HG1 ILE 7 -3.404 -4.715 1.325 75 2HG1 ILE 7 2HG1 ILE 7 -4.116 -6.057 2.209 76 1HG2 ILE 7 1HG2 ILE 7 -3.700 -2.100 3.853 77 2HG2 ILE 7 2HG2 ILE 7 -2.703 -2.686 2.506 78 3HG2 ILE 7 3HG2 ILE 7 -4.420 -2.315 2.255 79 1HD1 ILE 7 1HD1 ILE 7 -5.670 -3.775 0.968 80 2HD1 ILE 7 2HD1 ILE 7 -5.669 -5.486 0.512 81 3HD1 ILE 7 3HD1 ILE 7 -6.366 -4.992 2.060 82 H GLN 8 H GLN 8 -0.975 -3.366 5.302 83 HA GLN 8 HA GLN 8 -2.637 -2.218 7.444 84 1HB GLN 8 1HB GLN 8 -0.605 -2.572 8.862 85 2HB GLN 8 2HB GLN 8 -1.664 -3.966 8.620 86 1HG GLN 8 1HG GLN 8 0.913 -3.519 7.071 87 2HG GLN 8 2HG GLN 8 0.854 -4.371 8.612 88 1HE2 GLN 8 2HE2 GLN 8 1.659 -5.337 5.893 89 2HE2 GLN 8 1HE2 GLN 8 0.652 -6.744 5.617 90 H VAL 9 H VAL 9 -2.563 -0.099 7.153 91 HA VAL 9 HA VAL 9 -0.292 1.077 5.663 92 HB VAL 9 HB VAL 9 -3.042 2.237 6.200 93 1HG1 VAL 9 1HG1 VAL 9 -0.710 3.052 4.411 94 2HG1 VAL 9 2HG1 VAL 9 -2.342 3.737 4.290 95 3HG1 VAL 9 3HG1 VAL 9 -1.391 3.964 5.763 96 1HG2 VAL 9 1HG2 VAL 9 -1.988 0.731 3.768 97 2HG2 VAL 9 2HG2 VAL 9 -3.343 0.266 4.813 98 3HG2 VAL 9 3HG2 VAL 9 -3.475 1.700 3.792 99 H TYR 10 H TYR 10 1.120 2.397 6.645 100 HA TYR 10 HA TYR 10 0.438 3.512 9.330 101 1HB TYR 10 1HB TYR 10 3.218 3.219 8.257 102 2HB TYR 10 2HB TYR 10 2.663 3.391 9.912 103 HD1 TYR 10 HD1 TYR 10 3.924 1.107 7.585 104 HD2 TYR 10 HD2 TYR 10 0.903 1.424 10.634 105 HE1 TYR 10 HE1 TYR 10 4.060 -1.346 7.960 106 HE2 TYR 10 HE2 TYR 10 0.982 -1.046 10.960 107 HH TYR 10 HH TYR 10 3.465 -3.078 9.398 108 H SER 11 H SER 11 1.050 5.542 9.824 109 HA SER 11 HA SER 11 1.794 7.493 7.682 110 1HB SER 11 1HB SER 11 0.999 9.227 9.282 111 2HB SER 11 2HB SER 11 -0.277 8.123 8.762 112 HG SER 11 HG SER 11 1.156 8.003 11.208 113 H ARG 12 H ARG 12 3.270 9.268 8.762 114 HA ARG 12 HA ARG 12 5.235 8.040 10.672 115 1HB ARG 12 1HB ARG 12 5.677 9.850 8.276 116 2HB ARG 12 2HB ARG 12 6.895 9.602 9.539 117 1HG ARG 12 1HG ARG 12 5.619 7.229 8.132 118 2HG ARG 12 2HG ARG 12 6.904 8.150 7.361 119 1HD ARG 12 1HD ARG 12 7.229 6.949 10.127 120 2HD ARG 12 2HD ARG 12 7.636 6.077 8.652 121 HE ARG 12 HE ARG 12 9.130 8.212 9.911 122 1HH1 ARG 12 1HH2 ARG 12 8.516 6.646 6.773 123 2HH1 ARG 12 2HH2 ARG 12 9.971 7.268 6.041 124 1HH2 ARG 12 1HH1 ARG 12 11.031 9.011 8.932 125 2HH2 ARG 12 2HH1 ARG 12 11.414 8.603 7.279 126 H HIS 13 H HIS 13 4.996 11.395 9.495 127 HA HIS 13 HA HIS 13 4.453 12.396 12.190 128 1HB HIS 13 1HB HIS 13 4.320 13.868 9.545 129 2HB HIS 13 2HB HIS 13 4.509 14.571 11.149 130 HD2 HIS 13 HD2 HIS 13 6.638 14.410 8.325 131 HE1 HIS 13 HE1 HIS 13 9.230 13.277 11.474 132 HE2 HIS 13 HE2 HIS 13 9.135 14.095 9.054 133 HA PRO 14 HA PRO 14 0.093 11.932 11.735 134 1HB PRO 14 1HB PRO 14 -0.967 13.790 13.434 135 2HB PRO 14 2HB PRO 14 0.152 12.524 13.993 136 1HG PRO 14 1HG PRO 14 0.833 15.363 13.173 137 2HG PRO 14 2HG PRO 14 1.208 14.570 14.735 138 1HD PRO 14 1HD PRO 14 3.011 14.639 12.720 139 2HD PRO 14 2HD PRO 14 2.839 13.167 13.719 140 H ALA 15 H ALA 15 1.078 13.174 9.451 141 HA ALA 15 HA ALA 15 0.438 14.156 7.580 142 1HB ALA 15 1HB ALA 15 -2.331 13.953 8.782 143 2HB ALA 15 2HB ALA 15 -1.936 14.124 7.061 144 3HB ALA 15 3HB ALA 15 -1.470 12.651 7.944 145 H GLU 16 H GLU 16 1.286 16.166 7.465 146 HA GLU 16 HA GLU 16 -0.398 18.480 8.350 147 1HB GLU 16 1HB GLU 16 2.628 18.548 8.425 148 2HB GLU 16 2HB GLU 16 1.463 19.726 9.039 149 1HG GLU 16 1HG GLU 16 1.914 18.757 11.034 150 2HG GLU 16 2HG GLU 16 0.727 17.553 10.534 151 H ASN 17 H ASN 17 -0.743 19.992 6.797 152 HA ASN 17 HA ASN 17 0.012 19.347 4.119 153 1HB ASN 17 1HB ASN 17 -1.332 21.358 3.575 154 2HB ASN 17 2HB ASN 17 -2.184 20.276 4.674 155 1HD2 ASN 17 2HD2 ASN 17 -0.554 23.411 4.426 156 2HD2 ASN 17 1HD2 ASN 17 -1.194 24.045 5.929 157 H GLY 18 H GLY 18 1.282 20.356 2.676 158 1HA GLY 18 1HA GLY 18 3.004 21.633 1.846 159 2HA GLY 18 2HA GLY 18 3.021 22.611 3.323 160 H LYS 19 H LYS 19 3.468 20.953 5.289 161 HA LYS 19 HA LYS 19 6.235 20.226 5.250 162 1HB LYS 19 1HB LYS 19 4.135 20.688 7.089 163 2HB LYS 19 2HB LYS 19 4.932 19.155 7.474 164 1HG LYS 19 1HG LYS 19 7.082 20.152 7.627 165 2HG LYS 19 2HG LYS 19 6.539 21.662 6.874 166 1HD LYS 19 1HD LYS 19 6.922 21.775 9.300 167 2HD LYS 19 2HD LYS 19 5.363 22.392 8.720 168 1HE LYS 19 1HE LYS 19 5.060 21.111 10.828 169 2HE LYS 19 2HE LYS 19 4.205 20.375 9.471 170 1HZ LYS 19 1HZ LYS 19 6.087 18.849 9.261 171 2HZ LYS 19 2HZ LYS 19 6.751 19.478 10.631 172 3HZ LYS 19 3HZ LYS 19 5.280 18.709 10.680 173 H SER 20 H SER 20 6.083 18.902 3.571 174 HA SER 20 HA SER 20 4.850 16.692 2.860 175 1HB SER 20 1HB SER 20 6.781 17.686 1.643 176 2HB SER 20 2HB SER 20 7.831 16.652 2.638 177 HG SER 20 HG SER 20 5.701 15.786 0.966 178 H ASN 21 H ASN 21 4.768 14.489 3.271 179 HA ASN 21 HA ASN 21 5.606 13.671 6.004 180 1HB ASN 21 1HB ASN 21 3.171 14.386 5.024 181 2HB ASN 21 2HB ASN 21 3.123 12.680 4.685 182 1HD2 ASN 21 2HD2 ASN 21 2.940 11.221 6.583 183 2HD2 ASN 21 1HD2 ASN 21 2.637 11.877 8.176 184 H PHE 22 H PHE 22 4.334 10.983 5.548 185 HA PHE 22 HA PHE 22 5.465 9.815 3.224 186 1HB PHE 22 1HB PHE 22 7.184 9.795 5.554 187 2HB PHE 22 2HB PHE 22 6.643 8.152 5.209 188 HD1 PHE 22 HD1 PHE 22 6.716 7.346 2.734 189 HD2 PHE 22 HD2 PHE 22 9.140 10.497 4.399 190 HE1 PHE 22 HE1 PHE 22 8.453 6.932 1.001 191 HE2 PHE 22 HE2 PHE 22 10.930 9.982 2.755 192 HZ PHE 22 HZ PHE 22 10.574 8.221 1.037 193 H LEU 23 H LEU 23 4.094 8.363 2.615 194 HA LEU 23 HA LEU 23 2.134 7.108 4.459 195 1HB LEU 23 1HB LEU 23 1.281 8.440 2.572 196 2HB LEU 23 2HB LEU 23 2.283 7.518 1.458 197 HG LEU 23 HG LEU 23 0.824 5.504 2.041 198 1HD1 LEU 23 1HD1 LEU 23 -0.691 7.726 3.497 199 2HD1 LEU 23 2HD1 LEU 23 -1.353 6.115 3.147 200 3HD1 LEU 23 3HD1 LEU 23 0.021 6.288 4.257 201 1HD2 LEU 23 1HD2 LEU 23 0.442 6.934 0.030 202 2HD2 LEU 23 2HD2 LEU 23 -1.098 6.373 0.708 203 3HD2 LEU 23 3HD2 LEU 23 -0.544 8.036 1.001 204 H ASN 24 H ASN 24 2.084 4.846 4.642 205 HA ASN 24 HA ASN 24 4.100 3.278 3.082 206 1HB ASN 24 1HB ASN 24 3.800 3.241 6.096 207 2HB ASN 24 2HB ASN 24 4.957 2.365 5.091 208 1HD2 ASN 24 2HD2 ASN 24 3.977 5.545 6.353 209 2HD2 ASN 24 1HD2 ASN 24 5.520 6.341 6.129 210 H CYS 25 H CYS 25 2.425 2.237 1.969 211 HA CYS 25 HA CYS 25 0.305 0.859 3.518 212 1HB CYS 25 1HB CYS 25 0.697 1.069 0.531 213 2HB CYS 25 2HB CYS 25 -0.636 0.280 1.362 214 H TYR 26 H TYR 26 1.740 -0.611 4.629 215 HA TYR 26 HA TYR 26 3.401 -2.438 3.114 216 1HB TYR 26 1HB TYR 26 3.926 -1.723 5.423 217 2HB TYR 26 2HB TYR 26 2.436 -2.394 5.995 218 HD1 TYR 26 HD1 TYR 26 3.214 -3.933 7.590 219 HD2 TYR 26 HD2 TYR 26 4.870 -4.050 3.626 220 HE1 TYR 26 HE1 TYR 26 4.096 -6.197 8.033 221 HE2 TYR 26 HE2 TYR 26 5.738 -6.304 4.047 222 HH TYR 26 HH TYR 26 5.376 -7.939 7.227 223 H VAL 27 H VAL 27 2.848 -4.526 2.433 224 HA VAL 27 HA VAL 27 0.219 -5.602 3.272 225 HB VAL 27 HB VAL 27 1.181 -5.873 0.396 226 1HG1 VAL 27 1HG1 VAL 27 -0.487 -7.525 1.312 227 2HG1 VAL 27 2HG1 VAL 27 -1.557 -6.182 1.707 228 3HG1 VAL 27 3HG1 VAL 27 -1.142 -6.518 0.012 229 1HG2 VAL 27 1HG2 VAL 27 -0.755 -3.822 1.453 230 2HG2 VAL 27 2HG2 VAL 27 0.822 -3.502 0.691 231 3HG2 VAL 27 3HG2 VAL 27 -0.471 -4.244 -0.263 232 H SER 28 H SER 28 0.307 -7.803 3.686 233 HA SER 28 HA SER 28 2.469 -9.406 2.683 234 1HB SER 28 1HB SER 28 3.417 -9.989 4.927 235 2HB SER 28 2HB SER 28 3.638 -8.287 4.590 236 HG SER 28 HG SER 28 2.813 -8.491 6.641 237 H GLY 29 H GLY 29 2.387 -11.624 4.225 238 1HA GLY 29 1HA GLY 29 1.027 -13.342 5.021 239 2HA GLY 29 2HA GLY 29 -0.425 -12.407 4.657 240 H PHE 30 H PHE 30 0.386 -11.758 1.901 241 HA PHE 30 HA PHE 30 -0.961 -13.982 0.696 242 1HB PHE 30 1HB PHE 30 -1.007 -12.599 -1.283 243 2HB PHE 30 2HB PHE 30 -1.463 -11.705 0.118 244 HD1 PHE 30 HD1 PHE 30 -0.140 -9.705 0.857 245 HD2 PHE 30 HD2 PHE 30 1.200 -12.221 -2.394 246 HE1 PHE 30 HE1 PHE 30 1.669 -8.128 0.336 247 HE2 PHE 30 HE2 PHE 30 2.987 -10.612 -2.903 248 HZ PHE 30 HZ PHE 30 3.228 -8.581 -1.515 249 H HIS 31 H HIS 31 -0.201 -14.692 -1.570 250 HA HIS 31 HA HIS 31 2.573 -14.842 -2.301 251 1HB HIS 31 1HB HIS 31 2.934 -16.444 -0.566 252 2HB HIS 31 2HB HIS 31 1.314 -17.091 -0.738 253 HD2 HIS 31 HD2 HIS 31 1.193 -18.326 -3.664 254 HE1 HIS 31 HE1 HIS 31 4.885 -20.141 -2.715 255 HE2 HIS 31 HE2 HIS 31 2.885 -20.205 -4.303 256 HA PRO 32 HA PRO 32 3.499 -16.051 -4.048 257 1HB PRO 32 1HB PRO 32 3.983 -16.297 -6.674 258 2HB PRO 32 2HB PRO 32 3.041 -17.520 -5.820 259 1HG PRO 32 1HG PRO 32 1.884 -15.162 -7.350 260 2HG PRO 32 2HG PRO 32 1.567 -16.899 -7.634 261 1HD PRO 32 1HD PRO 32 -0.020 -15.376 -5.989 262 2HD PRO 32 2HD PRO 32 0.320 -17.095 -5.646 263 H SER 33 H SER 33 4.375 -14.497 -6.682 264 HA SER 33 HA SER 33 4.970 -12.101 -5.208 265 1HB SER 33 1HB SER 33 6.578 -11.778 -7.023 266 2HB SER 33 2HB SER 33 6.637 -13.456 -6.439 267 HG SER 33 HG SER 33 6.602 -13.344 -8.712 268 H ASP 34 H ASP 34 2.709 -12.844 -7.756 269 HA ASP 34 HA ASP 34 2.966 -10.312 -9.093 270 1HB ASP 34 1HB ASP 34 2.511 -12.407 -10.243 271 2HB ASP 34 2HB ASP 34 1.007 -12.623 -9.347 272 H ILE 35 H ILE 35 2.558 -8.878 -7.246 273 HA ILE 35 HA ILE 35 -0.353 -8.283 -7.056 274 HB ILE 35 HB ILE 35 0.456 -9.117 -4.998 275 1HG1 ILE 35 1HG1 ILE 35 0.093 -6.127 -4.608 276 2HG1 ILE 35 2HG1 ILE 35 -1.232 -7.196 -5.006 277 1HG2 ILE 35 1HG2 ILE 35 2.388 -6.811 -4.949 278 2HG2 ILE 35 2HG2 ILE 35 2.098 -7.985 -3.645 279 3HG2 ILE 35 3HG2 ILE 35 2.805 -8.542 -5.162 280 1HD1 ILE 35 1HD1 ILE 35 -0.551 -8.599 -2.956 281 2HD1 ILE 35 2HD1 ILE 35 0.436 -7.214 -2.481 282 3HD1 ILE 35 3HD1 ILE 35 -1.307 -7.015 -2.669 283 H GLU 36 H GLU 36 -0.990 -6.209 -7.116 284 HA GLU 36 HA GLU 36 0.877 -4.215 -8.301 285 1HB GLU 36 1HB GLU 36 -2.084 -4.244 -8.827 286 2HB GLU 36 2HB GLU 36 -0.766 -3.539 -9.751 287 1HG GLU 36 1HG GLU 36 0.032 -5.883 -10.253 288 2HG GLU 36 2HG GLU 36 -1.416 -6.498 -9.472 289 H VAL 37 H VAL 37 1.118 -2.414 -7.029 290 HA VAL 37 HA VAL 37 -1.138 -1.499 -5.336 291 HB VAL 37 HB VAL 37 1.717 -1.922 -4.400 292 1HG1 VAL 37 1HG1 VAL 37 -0.652 -0.937 -2.759 293 2HG1 VAL 37 2HG1 VAL 37 0.984 -1.265 -2.179 294 3HG1 VAL 37 3HG1 VAL 37 0.707 0.078 -3.293 295 1HG2 VAL 37 1HG2 VAL 37 -0.909 -3.364 -3.885 296 2HG2 VAL 37 2HG2 VAL 37 0.652 -4.029 -4.417 297 3HG2 VAL 37 3HG2 VAL 37 0.424 -3.473 -2.745 298 H ASP 38 H ASP 38 -1.546 0.044 -6.828 299 HA ASP 38 HA ASP 38 0.498 2.112 -7.395 300 1HB ASP 38 1HB ASP 38 -2.373 1.922 -8.392 301 2HB ASP 38 2HB ASP 38 -1.083 2.966 -8.986 302 H LEU 39 H LEU 39 0.602 3.864 -6.059 303 HA LEU 39 HA LEU 39 -1.484 4.183 -4.006 304 1HB LEU 39 1HB LEU 39 1.219 5.545 -4.291 305 2HB LEU 39 2HB LEU 39 0.032 5.751 -2.990 306 HG LEU 39 HG LEU 39 0.178 3.162 -2.717 307 1HD1 LEU 39 1HD1 LEU 39 2.829 3.721 -4.074 308 2HD1 LEU 39 2HD1 LEU 39 2.467 2.269 -3.129 309 3HD1 LEU 39 3HD1 LEU 39 1.604 2.572 -4.631 310 1HD2 LEU 39 1HD2 LEU 39 0.985 4.882 -1.064 311 2HD2 LEU 39 2HD2 LEU 39 1.969 3.412 -1.087 312 3HD2 LEU 39 3HD2 LEU 39 2.555 4.876 -1.899 313 H LEU 40 H LEU 40 -2.664 6.136 -3.731 314 HA LEU 40 HA LEU 40 -3.262 7.482 -6.324 315 1HB LEU 40 1HB LEU 40 -4.148 4.980 -5.723 316 2HB LEU 40 2HB LEU 40 -5.355 5.907 -4.858 317 HG LEU 40 HG LEU 40 -6.077 5.136 -7.032 318 1HD1 LEU 40 1HD1 LEU 40 -5.853 8.167 -6.976 319 2HD1 LEU 40 2HD1 LEU 40 -6.943 7.223 -8.003 320 3HD1 LEU 40 3HD1 LEU 40 -7.130 7.164 -6.244 321 1HD2 LEU 40 1HD2 LEU 40 -3.743 5.278 -8.093 322 2HD2 LEU 40 2HD2 LEU 40 -5.141 5.694 -9.104 323 3HD2 LEU 40 3HD2 LEU 40 -4.143 6.981 -8.420 324 H LYS 41 H LYS 41 -4.121 9.599 -5.943 325 HA LYS 41 HA LYS 41 -4.855 10.324 -3.190 326 1HB LYS 41 1HB LYS 41 -4.906 11.992 -5.691 327 2HB LYS 41 2HB LYS 41 -5.170 12.502 -4.012 328 1HG LYS 41 1HG LYS 41 -3.048 13.084 -4.246 329 2HG LYS 41 2HG LYS 41 -2.900 11.511 -3.460 330 1HD LYS 41 1HD LYS 41 -2.009 10.472 -5.247 331 2HD LYS 41 2HD LYS 41 -2.845 11.458 -6.425 332 1HE LYS 41 1HE LYS 41 -0.347 12.213 -4.911 333 2HE LYS 41 2HE LYS 41 -0.512 11.832 -6.637 334 1HZ LYS 41 1HZ LYS 41 -1.903 13.798 -6.869 335 2HZ LYS 41 2HZ LYS 41 -1.636 14.181 -5.291 336 3HZ LYS 41 3HZ LYS 41 -0.385 14.148 -6.355 337 H ASN 42 H ASN 42 -6.946 12.110 -4.551 338 HA ASN 42 HA ASN 42 -9.335 10.510 -4.274 339 1HB ASN 42 1HB ASN 42 -10.457 12.512 -5.172 340 2HB ASN 42 2HB ASN 42 -9.353 12.949 -3.866 341 1HD2 ASN 42 2HD2 ASN 42 -7.275 13.985 -4.445 342 2HD2 ASN 42 1HD2 ASN 42 -7.088 14.781 -5.994 343 H GLY 43 H GLY 43 -7.189 11.392 -6.946 344 1HA GLY 43 1HA GLY 43 -8.548 9.503 -8.772 345 2HA GLY 43 2HA GLY 43 -8.513 11.218 -9.227 346 H GLU 44 H GLU 44 -6.052 12.086 -8.388 347 HA GLU 44 HA GLU 44 -4.345 11.415 -10.485 348 1HB GLU 44 1HB GLU 44 -3.940 12.666 -7.750 349 2HB GLU 44 2HB GLU 44 -2.683 12.625 -8.998 350 1HG GLU 44 1HG GLU 44 -4.054 14.041 -10.441 351 2HG GLU 44 2HG GLU 44 -5.421 13.930 -9.316 352 H ARG 45 H ARG 45 -2.452 10.206 -10.593 353 HA ARG 45 HA ARG 45 -2.207 7.906 -8.718 354 1HB ARG 45 1HB ARG 45 -2.698 7.452 -11.095 355 2HB ARG 45 2HB ARG 45 -1.244 8.349 -11.567 356 1HG ARG 45 1HG ARG 45 0.169 6.692 -10.384 357 2HG ARG 45 2HG ARG 45 -1.282 5.810 -9.861 358 1HD ARG 45 1HD ARG 45 -1.858 5.303 -12.168 359 2HD ARG 45 2HD ARG 45 -0.585 6.369 -12.771 360 HE ARG 45 HE ARG 45 1.118 4.932 -11.926 361 1HH1 ARG 45 1HH2 ARG 45 -2.087 3.370 -12.172 362 2HH1 ARG 45 2HH2 ARG 45 -1.450 1.793 -11.780 363 1HH2 ARG 45 1HH1 ARG 45 1.907 2.841 -11.546 364 2HH2 ARG 45 2HH1 ARG 45 0.806 1.492 -11.432 365 H ILE 46 H ILE 46 -0.220 7.387 -7.724 366 HA ILE 46 HA ILE 46 1.730 9.555 -7.577 367 HB ILE 46 HB ILE 46 1.095 7.073 -5.948 368 1HG1 ILE 46 1HG1 ILE 46 0.551 10.052 -5.613 369 2HG1 ILE 46 2HG1 ILE 46 -0.664 8.786 -5.861 370 1HG2 ILE 46 1HG2 ILE 46 3.467 7.671 -5.850 371 2HG2 ILE 46 2HG2 ILE 46 3.014 9.345 -5.426 372 3HG2 ILE 46 3HG2 ILE 46 2.623 7.980 -4.329 373 1HD1 ILE 46 1HD1 ILE 46 -0.094 7.864 -3.602 374 2HD1 ILE 46 2HD1 ILE 46 0.977 9.264 -3.358 375 3HD1 ILE 46 3HD1 ILE 46 -0.766 9.481 -3.613 376 H GLU 47 H GLU 47 3.343 9.381 -9.042 377 HA GLU 47 HA GLU 47 4.265 6.826 -10.124 378 1HB GLU 47 1HB GLU 47 5.090 9.686 -10.600 379 2HB GLU 47 2HB GLU 47 5.900 8.272 -11.295 380 1HG GLU 47 1HG GLU 47 4.312 8.993 -12.889 381 2HG GLU 47 2HG GLU 47 3.741 7.467 -12.245 382 H LYS 48 H LYS 48 5.367 9.262 -7.741 383 HA LYS 48 HA LYS 48 7.999 8.118 -7.348 384 1HB LYS 48 1HB LYS 48 6.336 10.118 -5.770 385 2HB LYS 48 2HB LYS 48 8.000 9.629 -5.375 386 1HG LYS 48 1HG LYS 48 8.853 10.535 -7.443 387 2HG LYS 48 2HG LYS 48 7.218 10.884 -8.033 388 1HD LYS 48 1HD LYS 48 8.363 12.903 -7.167 389 2HD LYS 48 2HD LYS 48 6.853 12.542 -6.311 390 1HE LYS 48 1HE LYS 48 8.103 11.613 -4.407 391 2HE LYS 48 2HE LYS 48 9.635 11.802 -5.288 392 1HZ LYS 48 1HZ LYS 48 9.248 14.168 -5.246 393 2HZ LYS 48 2HZ LYS 48 7.835 13.952 -4.418 394 3HZ LYS 48 3HZ LYS 48 9.264 13.538 -3.721 395 H VAL 49 H VAL 49 7.059 5.866 -7.119 396 HA VAL 49 HA VAL 49 6.293 5.255 -4.293 397 HB VAL 49 HB VAL 49 6.031 3.537 -6.786 398 1HG1 VAL 49 1HG1 VAL 49 6.275 2.182 -4.770 399 2HG1 VAL 49 2HG1 VAL 49 5.115 3.196 -3.893 400 3HG1 VAL 49 3HG1 VAL 49 4.574 2.182 -5.249 401 1HG2 VAL 49 1HG2 VAL 49 4.516 5.390 -6.992 402 2HG2 VAL 49 2HG2 VAL 49 3.584 3.977 -6.488 403 3HG2 VAL 49 3HG2 VAL 49 3.994 5.243 -5.304 404 H GLU 50 H GLU 50 8.161 4.853 -3.130 405 HA GLU 50 HA GLU 50 10.385 3.327 -4.392 406 1HB GLU 50 1HB GLU 50 10.773 5.404 -2.879 407 2HB GLU 50 2HB GLU 50 10.308 4.335 -1.548 408 1HG GLU 50 1HG GLU 50 12.108 2.747 -2.246 409 2HG GLU 50 2HG GLU 50 12.591 3.922 -3.484 410 H HIS 51 H HIS 51 10.905 1.231 -3.283 411 HA HIS 51 HA HIS 51 8.969 0.312 -1.326 412 1HB HIS 51 1HB HIS 51 8.193 -1.633 -2.529 413 2HB HIS 51 2HB HIS 51 7.806 -0.201 -3.480 414 HD2 HIS 51 HD2 HIS 51 9.617 0.180 -5.752 415 HE1 HIS 51 HE1 HIS 51 10.687 -3.916 -5.814 416 HE2 HIS 51 HE2 HIS 51 10.758 -1.732 -7.136 417 H SER 52 H SER 52 9.661 -1.411 -0.127 418 HA SER 52 HA SER 52 12.516 -1.966 -0.081 419 1HB SER 52 1HB SER 52 11.915 -3.616 1.643 420 2HB SER 52 2HB SER 52 11.160 -2.043 1.977 421 HG SER 52 HG SER 52 9.897 -4.209 0.644 422 H ASP 53 H ASP 53 13.567 -3.692 -1.091 423 HA ASP 53 HA ASP 53 12.418 -5.047 -3.266 424 1HB ASP 53 1HB ASP 53 14.856 -4.773 -2.896 425 2HB ASP 53 2HB ASP 53 14.769 -5.871 -1.508 426 H LEU 54 H LEU 54 11.855 -7.310 -3.506 427 HA LEU 54 HA LEU 54 9.834 -8.042 -1.734 428 1HB LEU 54 1HB LEU 54 10.162 -8.744 -4.167 429 2HB LEU 54 2HB LEU 54 11.288 -9.962 -3.584 430 HG LEU 54 HG LEU 54 9.258 -11.063 -3.915 431 1HD1 LEU 54 1HD1 LEU 54 10.277 -11.616 -1.695 432 2HD1 LEU 54 2HD1 LEU 54 9.014 -10.571 -0.967 433 3HD1 LEU 54 3HD1 LEU 54 8.560 -11.986 -1.876 434 1HD2 LEU 54 1HD2 LEU 54 7.867 -8.743 -2.559 435 2HD2 LEU 54 2HD2 LEU 54 7.647 -9.360 -4.209 436 3HD2 LEU 54 3HD2 LEU 54 7.079 -10.283 -2.813 437 H SER 55 H SER 55 9.931 -8.805 0.232 438 HA SER 55 HA SER 55 12.061 -10.721 1.078 439 1HB SER 55 1HB SER 55 12.347 -8.629 2.338 440 2HB SER 55 2HB SER 55 10.625 -8.629 2.773 441 HG SER 55 HG SER 55 11.979 -9.553 4.396 442 H PHE 56 H PHE 56 10.928 -12.617 0.702 443 HA PHE 56 HA PHE 56 8.082 -12.746 1.428 444 1HB PHE 56 1HB PHE 56 7.998 -14.737 0.262 445 2HB PHE 56 2HB PHE 56 9.106 -13.774 -0.671 446 HD1 PHE 56 HD1 PHE 56 8.557 -16.824 1.171 447 HD2 PHE 56 HD2 PHE 56 11.544 -14.330 -0.663 448 HE1 PHE 56 HE1 PHE 56 10.190 -18.700 1.301 449 HE2 PHE 56 HE2 PHE 56 13.188 -16.213 -0.529 450 HZ PHE 56 HZ PHE 56 12.489 -18.403 0.404 451 H SER 57 H SER 57 10.446 -12.407 3.405 452 HA SER 57 HA SER 57 11.548 -13.325 5.079 453 1HB SER 57 1HB SER 57 9.277 -13.313 6.176 454 2HB SER 57 2HB SER 57 9.078 -15.004 5.687 455 HG SER 57 HG SER 57 10.031 -15.188 7.621 456 H LYS 58 H LYS 58 11.538 -16.077 6.029 457 HA LYS 58 HA LYS 58 12.195 -17.709 3.630 458 1HB LYS 58 1HB LYS 58 13.604 -17.591 5.716 459 2HB LYS 58 2HB LYS 58 12.323 -18.528 6.520 460 1HG LYS 58 1HG LYS 58 12.584 -20.261 4.667 461 2HG LYS 58 2HG LYS 58 13.929 -19.318 4.032 462 1HD LYS 58 1HD LYS 58 13.733 -20.628 6.793 463 2HD LYS 58 2HD LYS 58 14.683 -21.224 5.430 464 1HE LYS 58 1HE LYS 58 15.176 -18.640 6.982 465 2HE LYS 58 2HE LYS 58 16.132 -20.122 7.047 466 1HZ LYS 58 1HZ LYS 58 15.801 -18.403 4.694 467 2HZ LYS 58 2HZ LYS 58 17.146 -18.524 5.637 468 3HZ LYS 58 3HZ LYS 58 16.659 -19.811 4.731 469 H ASP 59 H ASP 59 9.656 -17.045 5.916 470 HA ASP 59 HA ASP 59 8.883 -19.732 6.192 471 1HB ASP 59 1HB ASP 59 7.627 -17.165 7.261 472 2HB ASP 59 2HB ASP 59 7.348 -18.789 7.908 473 H TRP 60 H TRP 60 8.365 -19.335 3.560 474 HA TRP 60 HA TRP 60 6.859 -19.678 1.944 475 1HB TRP 60 1HB TRP 60 5.045 -20.693 4.143 476 2HB TRP 60 2HB TRP 60 4.995 -21.122 2.438 477 HD1 TRP 60 HD1 TRP 60 7.074 -21.686 5.585 478 HE1 TRP 60 HE1 TRP 60 8.512 -23.816 5.318 479 HE3 TRP 60 HE3 TRP 60 6.037 -22.777 0.691 480 HZ2 TRP 60 HZ2 TRP 60 9.105 -25.722 3.281 481 HZ3 TRP 60 HZ3 TRP 60 7.020 -24.787 -0.369 482 HH2 TRP 60 HH2 TRP 60 8.570 -26.252 0.906 483 H SER 61 H SER 61 6.613 -17.047 3.559 484 HA SER 61 HA SER 61 3.840 -16.206 2.928 485 1HB SER 61 1HB SER 61 6.181 -14.805 4.302 486 2HB SER 61 2HB SER 61 4.526 -14.166 4.160 487 HG SER 61 HG SER 61 4.968 -15.240 6.154 488 H PHE 62 H PHE 62 4.263 -13.592 2.132 489 HA PHE 62 HA PHE 62 6.404 -13.224 0.273 490 1HB PHE 62 1HB PHE 62 4.324 -14.701 -0.812 491 2HB PHE 62 2HB PHE 62 3.927 -13.066 -1.311 492 HD1 PHE 62 HD1 PHE 62 5.524 -11.832 -2.838 493 HD2 PHE 62 HD2 PHE 62 6.256 -15.896 -1.586 494 HE1 PHE 62 HE1 PHE 62 7.301 -12.057 -4.514 495 HE2 PHE 62 HE2 PHE 62 8.114 -16.068 -3.159 496 HZ PHE 62 HZ PHE 62 8.702 -14.119 -4.608 497 H TYR 63 H TYR 63 6.743 -10.957 0.398 498 HA TYR 63 HA TYR 63 4.439 -9.179 0.544 499 1HB TYR 63 1HB TYR 63 4.971 -8.273 2.786 500 2HB TYR 63 2HB TYR 63 4.423 -9.948 2.810 501 HD1 TYR 63 HD1 TYR 63 7.305 -7.787 3.327 502 HD2 TYR 63 HD2 TYR 63 5.655 -11.747 3.657 503 HE1 TYR 63 HE1 TYR 63 8.937 -8.286 5.079 504 HE2 TYR 63 HE2 TYR 63 7.316 -12.299 5.380 505 HH TYR 63 HH TYR 63 9.701 -9.890 6.604 506 H LEU 64 H LEU 64 5.226 -6.944 1.202 507 HA LEU 64 HA LEU 64 7.878 -6.104 0.810 508 1HB LEU 64 1HB LEU 64 7.797 -5.044 -1.367 509 2HB LEU 64 2HB LEU 64 7.655 -6.781 -1.528 510 HG LEU 64 HG LEU 64 5.506 -4.687 -1.863 511 1HD1 LEU 64 1HD1 LEU 64 6.547 -6.773 -3.832 512 2HD1 LEU 64 2HD1 LEU 64 5.306 -5.566 -4.164 513 3HD1 LEU 64 3HD1 LEU 64 6.966 -5.039 -3.857 514 1HD2 LEU 64 1HD2 LEU 64 5.268 -7.712 -1.818 515 2HD2 LEU 64 2HD2 LEU 64 4.264 -6.519 -0.925 516 3HD2 LEU 64 3HD2 LEU 64 4.100 -6.720 -2.675 517 H LEU 65 H LEU 65 8.013 -3.789 1.019 518 HA LEU 65 HA LEU 65 5.570 -2.536 2.139 519 1HB LEU 65 1HB LEU 65 7.869 -3.141 3.386 520 2HB LEU 65 2HB LEU 65 8.406 -1.636 2.634 521 HG LEU 65 HG LEU 65 6.085 -2.062 4.565 522 1HD1 LEU 65 1HD1 LEU 65 8.377 -2.092 5.489 523 2HD1 LEU 65 2HD1 LEU 65 8.680 -0.496 4.771 524 3HD1 LEU 65 3HD1 LEU 65 7.451 -0.681 6.047 525 1HD2 LEU 65 1HD2 LEU 65 6.880 0.373 2.946 526 2HD2 LEU 65 2HD2 LEU 65 5.264 -0.333 3.160 527 3HD2 LEU 65 3HD2 LEU 65 6.037 0.516 4.503 528 H TYR 66 H TYR 66 4.851 -0.656 1.139 529 HA TYR 66 HA TYR 66 6.406 0.289 -1.219 530 1HB TYR 66 1HB TYR 66 3.383 0.027 -1.165 531 2HB TYR 66 2HB TYR 66 4.454 0.167 -2.542 532 HD1 TYR 66 HD1 TYR 66 4.555 -1.831 -3.861 533 HD2 TYR 66 HD2 TYR 66 3.736 -2.214 0.371 534 HE1 TYR 66 HE1 TYR 66 3.409 -3.983 -4.240 535 HE2 TYR 66 HE2 TYR 66 2.785 -4.408 -0.020 536 HH TYR 66 HH TYR 66 1.983 -5.555 -3.316 537 H TYR 67 H TYR 67 7.028 2.236 -0.415 538 HA TYR 67 HA TYR 67 4.988 3.973 0.844 539 1HB TYR 67 1HB TYR 67 7.116 5.014 1.868 540 2HB TYR 67 2HB TYR 67 6.254 3.632 2.493 541 HD1 TYR 67 HD1 TYR 67 7.884 2.452 3.703 542 HD2 TYR 67 HD2 TYR 67 8.677 3.683 -0.321 543 HE1 TYR 67 HE1 TYR 67 9.995 1.149 3.721 544 HE2 TYR 67 HE2 TYR 67 10.746 2.307 -0.355 545 HH TYR 67 HH TYR 67 11.827 0.449 2.512 546 H THR 68 H THR 68 4.884 6.054 0.503 547 HA THR 68 HA THR 68 6.477 7.381 -1.674 548 HB THR 68 HB THR 68 4.440 6.630 -2.556 549 HG1 THR 68 HG1 THR 68 5.266 8.521 -3.338 550 1HG2 THR 68 1HG2 THR 68 2.989 8.469 -0.606 551 2HG2 THR 68 2HG2 THR 68 2.278 7.491 -1.896 552 3HG2 THR 68 3HG2 THR 68 3.011 6.692 -0.496 553 H GLU 69 H GLU 69 7.035 9.569 -1.272 554 HA GLU 69 HA GLU 69 6.638 10.664 1.411 555 1HB GLU 69 1HB GLU 69 8.133 12.479 0.528 556 2HB GLU 69 2HB GLU 69 8.822 10.861 0.610 557 1HG GLU 69 1HG GLU 69 8.641 10.549 -1.788 558 2HG GLU 69 2HG GLU 69 7.754 12.071 -1.968 559 H PHE 70 H PHE 70 4.258 10.790 1.118 560 HA PHE 70 HA PHE 70 3.226 12.708 -0.814 561 1HB PHE 70 1HB PHE 70 1.134 12.086 -0.216 562 2HB PHE 70 2HB PHE 70 2.016 10.562 -0.101 563 HD1 PHE 70 HD1 PHE 70 -0.510 12.557 1.454 564 HD2 PHE 70 HD2 PHE 70 2.934 10.160 2.432 565 HE1 PHE 70 HE1 PHE 70 -0.882 12.919 3.829 566 HE2 PHE 70 HE2 PHE 70 2.203 10.144 4.813 567 HZ PHE 70 HZ PHE 70 0.458 11.706 5.543 568 H THR 71 H THR 71 2.216 14.604 -0.399 569 HA THR 71 HA THR 71 2.505 15.896 2.267 570 HB THR 71 HB THR 71 2.215 17.135 -0.441 571 HG1 THR 71 HG1 THR 71 4.420 17.557 -0.063 572 1HG2 THR 71 1HG2 THR 71 2.823 18.261 2.337 573 2HG2 THR 71 2HG2 THR 71 2.960 19.163 0.817 574 3HG2 THR 71 3HG2 THR 71 1.372 18.594 1.364 575 HA PRO 72 HA PRO 72 -2.098 15.291 1.961 576 1HB PRO 72 1HB PRO 72 -2.709 16.029 4.591 577 2HB PRO 72 2HB PRO 72 -2.302 14.412 4.049 578 1HG PRO 72 1HG PRO 72 -0.623 16.430 5.471 579 2HG PRO 72 2HG PRO 72 -0.445 14.653 5.483 580 1HD PRO 72 1HD PRO 72 1.154 16.473 4.058 581 2HD PRO 72 2HD PRO 72 1.069 14.718 3.775 582 H THR 73 H THR 73 -2.921 16.962 0.714 583 HA THR 73 HA THR 73 -2.820 19.757 1.454 584 HB THR 73 HB THR 73 -4.644 19.901 -0.314 585 HG1 THR 73 HG1 THR 73 -5.337 17.676 0.102 586 1HG2 THR 73 1HG2 THR 73 -2.102 18.402 -1.087 587 2HG2 THR 73 2HG2 THR 73 -3.161 19.316 -2.181 588 3HG2 THR 73 3HG2 THR 73 -2.272 20.162 -0.900 589 H GLU 74 H GLU 74 -4.838 21.015 1.851 590 HA GLU 74 HA GLU 74 -6.153 20.392 4.210 591 1HB GLU 74 1HB GLU 74 -7.654 22.233 3.637 592 2HB GLU 74 2HB GLU 74 -5.975 22.633 3.251 593 1HG GLU 74 1HG GLU 74 -6.420 22.107 0.839 594 2HG GLU 74 2HG GLU 74 -8.095 21.715 1.259 595 H LYS 75 H LYS 75 -6.967 19.332 0.960 596 HA LYS 75 HA LYS 75 -9.342 17.848 1.964 597 1HB LYS 75 1HB LYS 75 -10.618 18.554 0.016 598 2HB LYS 75 2HB LYS 75 -10.101 19.938 0.984 599 1HG LYS 75 1HG LYS 75 -8.064 19.989 -0.766 600 2HG LYS 75 2HG LYS 75 -9.209 19.109 -1.780 601 1HD LYS 75 1HD LYS 75 -9.648 21.826 -0.464 602 2HD LYS 75 2HD LYS 75 -9.270 21.536 -2.166 603 1HE LYS 75 1HE LYS 75 -11.414 20.312 -2.439 604 2HE LYS 75 2HE LYS 75 -11.798 20.596 -0.729 605 1HZ LYS 75 1HZ LYS 75 -11.405 22.682 -2.749 606 2HZ LYS 75 2HZ LYS 75 -12.848 22.195 -2.118 607 3HZ LYS 75 3HZ LYS 75 -11.733 22.936 -1.155 608 H ASP 76 H ASP 76 -6.970 16.611 1.879 609 HA ASP 76 HA ASP 76 -6.454 15.425 -0.722 610 1HB ASP 76 1HB ASP 76 -4.636 14.443 0.265 611 2HB ASP 76 2HB ASP 76 -4.814 15.851 1.285 612 H GLU 77 H GLU 77 -6.420 12.950 -0.879 613 HA GLU 77 HA GLU 77 -8.006 11.458 0.986 614 1HB GLU 77 1HB GLU 77 -9.721 12.437 -0.675 615 2HB GLU 77 2HB GLU 77 -9.024 11.347 -1.875 616 1HG GLU 77 1HG GLU 77 -9.531 9.406 -0.376 617 2HG GLU 77 2HG GLU 77 -10.147 10.522 0.852 618 H TYR 78 H TYR 78 -5.467 11.213 0.835 619 HA TYR 78 HA TYR 78 -4.489 9.562 -1.283 620 1HB TYR 78 1HB TYR 78 -3.428 10.504 1.322 621 2HB TYR 78 2HB TYR 78 -2.655 9.099 0.573 622 HD1 TYR 78 HD1 TYR 78 -3.955 12.482 -0.360 623 HD2 TYR 78 HD2 TYR 78 -0.918 9.523 -1.034 624 HE1 TYR 78 HE1 TYR 78 -2.647 14.138 -1.657 625 HE2 TYR 78 HE2 TYR 78 0.328 11.142 -2.428 626 HH TYR 78 HH TYR 78 0.599 13.369 -2.974 627 H ALA 79 H ALA 79 -4.129 7.484 -1.464 628 HA ALA 79 HA ALA 79 -5.334 5.494 0.328 629 1HB ALA 79 1HB ALA 79 -7.227 6.542 -0.948 630 2HB ALA 79 2HB ALA 79 -6.393 6.164 -2.466 631 3HB ALA 79 3HB ALA 79 -6.972 4.852 -1.423 632 H CYS 80 H CYS 80 -5.258 3.340 -0.831 633 HA CYS 80 HA CYS 80 -2.930 3.047 -2.667 634 1HB CYS 80 1HB CYS 80 -3.297 1.823 0.078 635 2HB CYS 80 2HB CYS 80 -2.268 1.086 -1.158 636 H ARG 81 H ARG 81 -3.599 1.985 -4.367 637 HA ARG 81 HA ARG 81 -5.882 0.227 -4.506 638 1HB ARG 81 1HB ARG 81 -4.836 1.457 -6.417 639 2HB ARG 81 2HB ARG 81 -3.389 0.455 -6.225 640 1HG ARG 81 1HG ARG 81 -4.715 -1.586 -6.711 641 2HG ARG 81 2HG ARG 81 -6.140 -0.563 -6.950 642 1HD ARG 81 1HD ARG 81 -3.556 -0.401 -8.556 643 2HD ARG 81 2HD ARG 81 -5.049 -1.195 -9.085 644 HE ARG 81 HE ARG 81 -5.608 1.506 -8.337 645 1HH1 ARG 81 1HH2 ARG 81 -3.972 -0.278 -10.930 646 2HH1 ARG 81 2HH2 ARG 81 -4.467 0.834 -12.179 647 1HH2 ARG 81 1HH1 ARG 81 -6.101 3.041 -9.941 648 2HH2 ARG 81 2HH1 ARG 81 -5.619 2.777 -11.596 649 H VAL 82 H VAL 82 -5.863 -2.079 -4.033 650 HA VAL 82 HA VAL 82 -3.206 -3.368 -3.870 651 HB VAL 82 HB VAL 82 -5.477 -3.795 -1.880 652 1HG1 VAL 82 1HG1 VAL 82 -2.737 -5.065 -2.275 653 2HG1 VAL 82 2HG1 VAL 82 -3.752 -5.313 -0.842 654 3HG1 VAL 82 3HG1 VAL 82 -4.318 -5.872 -2.417 655 1HG2 VAL 82 1HG2 VAL 82 -4.303 -1.721 -1.333 656 2HG2 VAL 82 2HG2 VAL 82 -3.777 -2.979 -0.219 657 3HG2 VAL 82 3HG2 VAL 82 -2.724 -2.510 -1.561 658 H ASN 83 H ASN 83 -3.165 -4.723 -5.519 659 HA ASN 83 HA ASN 83 -5.511 -6.499 -5.940 660 1HB ASN 83 1HB ASN 83 -5.410 -4.606 -7.646 661 2HB ASN 83 2HB ASN 83 -3.878 -5.249 -8.188 662 1HD2 ASN 83 2HD2 ASN 83 -4.558 -5.936 -10.280 663 2HD2 ASN 83 1HD2 ASN 83 -5.785 -7.170 -10.503 664 H HIS 84 H HIS 84 -4.387 -8.179 -4.798 665 HA HIS 84 HA HIS 84 -1.782 -9.189 -5.739 666 1HB HIS 84 1HB HIS 84 -2.564 -9.569 -3.442 667 2HB HIS 84 2HB HIS 84 -3.978 -10.421 -4.064 668 HD2 HIS 84 HD2 HIS 84 -0.018 -10.967 -4.208 669 HE1 HIS 84 HE1 HIS 84 -2.061 -14.668 -4.402 670 HE2 HIS 84 HE2 HIS 84 0.267 -13.550 -4.304 671 H VAL 85 H VAL 85 -1.699 -11.189 -7.077 672 HA VAL 85 HA VAL 85 -3.464 -11.267 -9.234 673 HB VAL 85 HB VAL 85 -1.247 -12.162 -9.329 674 1HG1 VAL 85 1HG1 VAL 85 -1.032 -13.275 -7.141 675 2HG1 VAL 85 2HG1 VAL 85 -2.233 -14.487 -7.637 676 3HG1 VAL 85 3HG1 VAL 85 -0.666 -14.400 -8.456 677 1HG2 VAL 85 1HG2 VAL 85 -2.892 -12.883 -10.990 678 2HG2 VAL 85 2HG2 VAL 85 -1.656 -14.117 -10.693 679 3HG2 VAL 85 3HG2 VAL 85 -3.278 -14.312 -10.002 680 H THR 86 H THR 86 -3.765 -12.989 -6.127 681 HA THR 86 HA THR 86 -5.931 -14.646 -7.051 682 HB THR 86 HB THR 86 -4.272 -15.009 -5.087 683 HG1 THR 86 HG1 THR 86 -5.756 -16.486 -5.790 684 1HG2 THR 86 1HG2 THR 86 -6.664 -14.005 -3.526 685 2HG2 THR 86 2HG2 THR 86 -5.084 -14.556 -2.923 686 3HG2 THR 86 3HG2 THR 86 -5.225 -12.998 -3.769 687 H LEU 87 H LEU 87 -5.776 -11.316 -5.836 688 HA LEU 87 HA LEU 87 -8.674 -11.084 -5.474 689 1HB LEU 87 1HB LEU 87 -6.342 -9.172 -5.631 690 2HB LEU 87 2HB LEU 87 -7.933 -8.591 -6.075 691 HG LEU 87 HG LEU 87 -8.867 -9.176 -3.941 692 1HD1 LEU 87 1HD1 LEU 87 -7.520 -11.144 -3.324 693 2HD1 LEU 87 2HD1 LEU 87 -6.057 -10.143 -3.250 694 3HD1 LEU 87 3HD1 LEU 87 -7.365 -9.901 -2.073 695 1HD2 LEU 87 1HD2 LEU 87 -7.808 -6.960 -4.257 696 2HD2 LEU 87 2HD2 LEU 87 -7.625 -7.510 -2.582 697 3HD2 LEU 87 3HD2 LEU 87 -6.252 -7.609 -3.702 698 H SER 88 H SER 88 -6.364 -9.927 -7.954 699 HA SER 88 HA SER 88 -6.501 -9.552 -10.139 700 1HB SER 88 1HB SER 88 -7.530 -11.831 -10.343 701 2HB SER 88 2HB SER 88 -9.133 -11.061 -10.328 702 HG SER 88 HG SER 88 -7.031 -10.530 -12.154 703 H GLN 89 H GLN 89 -9.456 -8.930 -8.261 704 HA GLN 89 HA GLN 89 -10.112 -6.542 -9.856 705 1HB GLN 89 1HB GLN 89 -11.468 -7.817 -7.472 706 2HB GLN 89 2HB GLN 89 -12.057 -6.410 -8.376 707 1HG GLN 89 1HG GLN 89 -12.149 -7.814 -10.446 708 2HG GLN 89 2HG GLN 89 -11.677 -9.230 -9.492 709 1HE2 GLN 89 2HE2 GLN 89 -13.112 -9.329 -7.290 710 2HE2 GLN 89 1HE2 GLN 89 -14.833 -9.253 -7.605 711 HA PRO 90 HA PRO 90 -7.434 -4.506 -6.860 712 1HB PRO 90 1HB PRO 90 -7.742 -1.883 -7.638 713 2HB PRO 90 2HB PRO 90 -6.806 -3.075 -8.585 714 1HG PRO 90 1HG PRO 90 -9.670 -2.201 -8.995 715 2HG PRO 90 2HG PRO 90 -8.377 -2.349 -10.221 716 1HD PRO 90 1HD PRO 90 -10.227 -4.301 -9.828 717 2HD PRO 90 2HD PRO 90 -8.525 -4.720 -10.205 718 H LYS 91 H LYS 91 -8.025 -4.458 -4.805 719 HA LYS 91 HA LYS 91 -10.516 -3.141 -3.903 720 1HB LYS 91 1HB LYS 91 -9.947 -5.375 -3.057 721 2HB LYS 91 2HB LYS 91 -8.410 -4.768 -2.417 722 1HG LYS 91 1HG LYS 91 -9.623 -3.233 -0.904 723 2HG LYS 91 2HG LYS 91 -11.172 -3.740 -1.614 724 1HD LYS 91 1HD LYS 91 -10.759 -6.063 -0.833 725 2HD LYS 91 2HD LYS 91 -9.221 -5.540 -0.111 726 1HE LYS 91 1HE LYS 91 -10.479 -3.941 1.347 727 2HE LYS 91 2HE LYS 91 -12.001 -4.511 0.636 728 1HZ LYS 91 1HZ LYS 91 -10.099 -6.144 2.164 729 2HZ LYS 91 2HZ LYS 91 -11.551 -5.580 2.702 730 3HZ LYS 91 3HZ LYS 91 -11.500 -6.691 1.487 731 H ILE 92 H ILE 92 -10.322 -0.945 -3.670 732 HA ILE 92 HA ILE 92 -7.713 0.254 -3.154 733 HB ILE 92 HB ILE 92 -10.342 1.728 -3.341 734 1HG1 ILE 92 1HG1 ILE 92 -10.405 0.390 -5.331 735 2HG1 ILE 92 2HG1 ILE 92 -9.955 2.038 -5.748 736 1HG2 ILE 92 1HG2 ILE 92 -7.431 2.418 -3.938 737 2HG2 ILE 92 2HG2 ILE 92 -8.814 3.494 -4.226 738 3HG2 ILE 92 3HG2 ILE 92 -8.408 2.988 -2.576 739 1HD1 ILE 92 1HD1 ILE 92 -7.574 1.347 -5.950 740 2HD1 ILE 92 2HD1 ILE 92 -8.037 -0.322 -5.533 741 3HD1 ILE 92 3HD1 ILE 92 -8.641 0.425 -7.020 742 H VAL 93 H VAL 93 -7.004 0.793 -1.148 743 HA VAL 93 HA VAL 93 -8.943 0.927 1.132 744 HB VAL 93 HB VAL 93 -5.993 0.187 1.069 745 1HG1 VAL 93 1HG1 VAL 93 -7.923 0.502 3.414 746 2HG1 VAL 93 2HG1 VAL 93 -6.317 -0.248 3.509 747 3HG1 VAL 93 3HG1 VAL 93 -6.460 1.467 3.115 748 1HG2 VAL 93 1HG2 VAL 93 -7.444 -1.651 0.325 749 2HG2 VAL 93 2HG2 VAL 93 -6.879 -1.978 1.972 750 3HG2 VAL 93 3HG2 VAL 93 -8.530 -1.390 1.709 751 H LYS 94 H LYS 94 -9.424 2.981 1.583 752 HA LYS 94 HA LYS 94 -7.664 5.220 0.972 753 1HB LYS 94 1HB LYS 94 -10.263 4.992 2.542 754 2HB LYS 94 2HB LYS 94 -9.384 6.507 2.259 755 1HG LYS 94 1HG LYS 94 -9.562 6.176 -0.187 756 2HG LYS 94 2HG LYS 94 -10.496 4.689 0.075 757 1HD LYS 94 1HD LYS 94 -12.267 5.966 1.205 758 2HD LYS 94 2HD LYS 94 -11.310 7.458 1.072 759 1HE LYS 94 1HE LYS 94 -11.377 7.296 -1.402 760 2HE LYS 94 2HE LYS 94 -12.345 5.812 -1.283 761 1HZ LYS 94 1HZ LYS 94 -14.047 7.103 -0.194 762 2HZ LYS 94 2HZ LYS 94 -13.127 8.473 -0.310 763 3HZ LYS 94 3HZ LYS 94 -13.685 7.743 -1.672 764 H TRP 95 H TRP 95 -6.213 6.174 2.307 765 HA TRP 95 HA TRP 95 -5.488 4.817 4.802 766 1HB TRP 95 1HB TRP 95 -3.653 5.395 3.467 767 2HB TRP 95 2HB TRP 95 -4.333 6.938 3.039 768 HD1 TRP 95 HD1 TRP 95 -3.061 5.467 6.421 769 HE1 TRP 95 HE1 TRP 95 -1.842 7.387 7.668 770 HE3 TRP 95 HE3 TRP 95 -3.561 9.138 2.945 771 HZ2 TRP 95 HZ2 TRP 95 -1.466 10.244 7.318 772 HZ3 TRP 95 HZ3 TRP 95 -2.769 11.449 3.413 773 HH2 TRP 95 HH2 TRP 95 -1.898 12.022 5.649 774 H ASP 96 H ASP 96 -5.975 5.488 6.792 775 HA ASP 96 HA ASP 96 -7.864 7.584 7.353 776 1HB ASP 96 1HB ASP 96 -7.466 6.901 9.679 777 2HB ASP 96 2HB ASP 96 -7.648 5.474 8.655 778 H ARG 97 H ARG 97 -7.176 9.143 9.304 779 HA ARG 97 HA ARG 97 -4.420 10.212 8.934 780 1HB ARG 97 1HB ARG 97 -7.015 11.787 8.684 781 2HB ARG 97 2HB ARG 97 -5.526 12.512 9.286 782 1HG ARG 97 1HG ARG 97 -5.645 13.072 7.048 783 2HG ARG 97 2HG ARG 97 -4.332 11.907 7.199 784 1HD ARG 97 1HD ARG 97 -5.363 10.418 5.786 785 2HD ARG 97 2HD ARG 97 -6.950 10.675 6.548 786 HE ARG 97 HE ARG 97 -6.096 12.935 4.952 787 1HH1 ARG 97 1HH2 ARG 97 -7.386 9.655 4.535 788 2HH1 ARG 97 2HH2 ARG 97 -8.562 10.146 3.342 789 1HH2 ARG 97 1HH1 ARG 97 -7.593 13.560 3.436 790 2HH2 ARG 97 2HH1 ARG 97 -8.684 12.423 2.690 791 H ASP 98 H ASP 98 -3.671 9.586 10.853 792 HA ASP 98 HA ASP 98 -5.087 10.033 13.386 793 1HB ASP 98 1HB ASP 98 -3.585 8.103 13.094 794 2HB ASP 98 2HB ASP 98 -2.236 9.182 12.712 795 H MET 99 H MET 99 -5.397 12.285 12.343 796 HA MET 99 HA MET 99 -3.146 14.159 12.895 797 1HB MET 99 1HB MET 99 -3.933 14.004 10.554 798 2HB MET 99 2HB MET 99 -5.580 14.388 11.072 799 1HG MET 99 1HG MET 99 -4.822 16.616 11.843 800 2HG MET 99 2HG MET 99 -3.171 16.238 11.339 801 1HE MET 99 1HE MET 99 -4.655 18.879 10.483 802 2HE MET 99 2HE MET 99 -3.007 18.449 9.965 803 3HE MET 99 3HE MET 99 -4.213 18.960 8.762
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