NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
13070 | 1u34 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 15 H GLY 15 9.316 -42.683 12.770 2 1HA GLY 15 1HA GLY 15 9.903 -40.761 11.755 3 2HA GLY 15 2HA GLY 15 8.566 -40.969 10.641 4 H SER 16 H SER 16 8.476 -38.520 10.913 5 HA SER 16 HA SER 16 6.449 -37.969 12.844 6 2HB SER 16 2HB SER 16 8.630 -35.945 12.968 7 HG SER 16 HG SER 16 7.118 -35.551 14.489 8 H GLY 17 H GLY 17 5.780 -35.489 12.566 9 1HA GLY 17 1HA GLY 17 6.229 -34.682 9.759 10 2HA GLY 17 2HA GLY 17 4.614 -34.792 10.433 11 H MET 18 H MET 18 7.855 -33.329 11.194 12 HA MET 18 HA MET 18 6.731 -30.768 11.378 13 2HB MET 18 2HB MET 18 7.814 -31.733 14.046 14 2HG MET 18 2HG MET 18 6.017 -29.522 13.029 15 1HE MET 18 1HE MET 18 4.028 -28.215 15.601 16 2HE MET 18 2HE MET 18 5.589 -28.039 16.438 17 3HE MET 18 3HE MET 18 5.492 -27.802 14.676 18 H LYS 19 H LYS 19 8.366 -29.569 10.518 19 HA LYS 19 HA LYS 19 10.849 -29.321 11.702 20 2HB LYS 19 2HB LYS 19 11.634 -30.628 9.246 21 2HG LYS 19 2HG LYS 19 12.169 -31.353 12.162 22 2HD LYS 19 2HD LYS 19 12.906 -32.948 10.283 23 2HE LYS 19 2HE LYS 19 13.521 -31.104 8.659 24 1HZ LYS 19 1HZ LYS 19 14.954 -30.183 10.785 25 2HZ LYS 19 2HZ LYS 19 16.087 -30.722 9.740 26 3HZ LYS 19 3HZ LYS 19 14.998 -29.605 9.259 27 H GLU 20 H GLU 20 12.471 -28.346 9.819 28 HA GLU 20 HA GLU 20 12.815 -26.709 8.435 29 2HB GLU 20 2HB GLU 20 10.621 -26.252 6.826 30 2HG GLU 20 2HG GLU 20 13.139 -27.596 6.661 31 H THR 21 H THR 21 12.986 -24.710 9.343 32 HA THR 21 HA THR 21 10.856 -22.913 9.424 33 HB THR 21 HB THR 21 9.889 -24.191 11.237 34 HG1 THR 21 1HG THR 21 10.488 -22.614 13.043 35 1HG2 THR 21 1HG2 THR 21 11.669 -24.201 13.357 36 2HG2 THR 21 2HG2 THR 21 11.344 -25.616 12.328 37 3HG2 THR 21 3HG2 THR 21 12.750 -24.577 11.994 38 H ALA 22 H ALA 22 11.540 -20.809 9.894 39 HA ALA 22 HA ALA 22 14.107 -20.399 11.090 40 1HB ALA 22 1HB ALA 22 13.817 -20.619 8.169 41 2HB ALA 22 2HB ALA 22 14.542 -19.080 8.689 42 3HB ALA 22 3HB ALA 22 15.287 -20.622 9.174 43 H ALA 23 H ALA 23 14.611 -17.970 11.111 44 HA ALA 23 HA ALA 23 12.699 -16.097 10.349 45 1HB ALA 23 1HB ALA 23 11.308 -15.816 12.164 46 2HB ALA 23 2HB ALA 23 11.577 -17.571 12.290 47 3HB ALA 23 3HB ALA 23 12.504 -16.452 13.319 48 H ALA 24 H ALA 24 13.506 -14.001 10.695 49 HA ALA 24 HA ALA 24 15.422 -13.416 12.667 50 1HB ALA 24 1HB ALA 24 17.140 -14.519 11.598 51 2HB ALA 24 2HB ALA 24 16.393 -14.352 9.990 52 3HB ALA 24 3HB ALA 24 17.224 -12.965 10.735 53 H LYS 25 H LYS 25 14.907 -11.333 13.087 54 HA LYS 25 HA LYS 25 14.300 -9.635 10.769 55 2HB LYS 25 2HB LYS 25 12.858 -8.538 12.856 56 2HG LYS 25 2HG LYS 25 12.375 -9.930 10.320 57 2HD LYS 25 2HD LYS 25 10.340 -10.221 12.573 58 2HE LYS 25 2HE LYS 25 9.944 -10.633 9.570 59 1HZ LYS 25 1HZ LYS 25 8.680 -11.753 11.721 60 2HZ LYS 25 2HZ LYS 25 7.659 -10.596 11.188 61 3HZ LYS 25 3HZ LYS 25 8.172 -11.765 10.169 62 H PHE 26 H PHE 26 14.228 -7.170 11.883 63 HA PHE 26 HA PHE 26 16.675 -6.974 13.475 64 2HB PHE 26 2HB PHE 26 17.333 -5.083 11.940 65 HD1 PHE 26 1HD PHE 26 15.660 -7.062 9.396 66 HD2 PHE 26 2HD PHE 26 19.149 -6.747 11.791 67 HE1 PHE 26 1HE PHE 26 16.843 -8.679 7.885 68 HE2 PHE 26 2HE PHE 26 20.333 -8.365 10.278 69 HZ PHE 26 HZ PHE 26 19.166 -9.311 8.344 70 H GLU 27 H GLU 27 16.931 -4.718 14.442 71 HA GLU 27 HA GLU 27 14.736 -4.093 15.910 72 2HB GLU 27 2HB GLU 27 16.139 -1.698 15.844 73 2HG GLU 27 2HG GLU 27 17.181 -4.129 17.338 74 H ARG 28 H ARG 28 12.921 -2.801 15.666 75 HA ARG 28 HA ARG 28 12.843 -0.717 13.814 76 2HB ARG 28 2HB ARG 28 10.718 -2.377 12.801 77 2HG ARG 28 2HG ARG 28 12.725 -0.626 11.833 78 2HD ARG 28 2HD ARG 28 13.816 -3.093 11.440 79 HE ARG 28 HE ARG 28 11.618 -3.120 9.647 80 1HH1 ARG 28 2HH2 ARG 28 15.108 -3.553 9.527 81 2HH1 ARG 28 1HH2 ARG 28 15.057 -4.615 8.160 82 1HH2 ARG 28 2HH1 ARG 28 11.550 -4.521 7.844 83 2HH2 ARG 28 1HH1 ARG 28 13.020 -5.170 7.196 84 H GLN 29 H GLN 29 11.627 0.682 15.048 85 HA GLN 29 HA GLN 29 9.304 -0.479 16.380 86 2HB GLN 29 2HB GLN 29 10.326 2.085 17.459 87 2HG GLN 29 2HG GLN 29 9.635 -0.649 18.633 88 1HE2 GLN 29 1HE2 GLN 29 9.407 2.714 19.707 89 2HE2 GLN 29 2HE2 GLN 29 10.340 2.556 21.158 90 H HIS 30 H HIS 30 10.624 2.715 15.226 91 HA HIS 30 HA HIS 30 8.566 3.143 13.418 92 2HB HIS 30 2HB HIS 30 8.126 4.904 15.809 93 HD1 HIS 30 1HD HIS 30 5.244 3.050 14.488 94 HD2 HIS 30 2HD HIS 30 7.265 6.605 13.556 95 HE1 HIS 30 1HE HIS 30 3.671 4.397 12.998 96 H MET 31 H MET 31 8.745 5.309 12.401 97 HA MET 31 HA MET 31 11.451 6.254 12.737 98 2HB MET 31 2HB MET 31 10.390 5.657 10.468 99 2HG MET 31 2HG MET 31 9.148 8.301 10.169 100 1HE MET 31 1HE MET 31 6.649 8.062 9.793 101 2HE MET 31 2HE MET 31 6.574 7.605 8.074 102 3HE MET 31 3HE MET 31 5.811 6.569 9.304 103 H ASP 32 H ASP 32 9.588 6.896 14.863 104 HA ASP 32 HA ASP 32 8.998 8.574 16.101 105 2HB ASP 32 2HB ASP 32 10.622 10.244 14.125 106 H SER 33 H SER 33 7.262 10.189 16.222 107 HA SER 33 HA SER 33 6.317 11.731 14.250 108 2HB SER 33 2HB SER 33 4.197 10.076 13.727 109 HG SER 33 HG SER 33 5.172 11.010 11.972 110 HA PRO 34 HA PRO 34 3.619 12.549 17.565 111 2HB PRO 34 2HB PRO 34 3.322 14.732 16.898 112 2HG PRO 34 2HG PRO 34 3.723 15.120 14.661 113 2HD PRO 34 2HD PRO 34 5.140 13.371 14.191 114 H ASP 35 H ASP 35 0.875 13.007 17.696 115 HA ASP 35 HA ASP 35 0.040 10.277 17.146 116 2HB ASP 35 2HB ASP 35 -0.948 12.388 19.112 117 H LEU 36 H LEU 36 -2.084 9.948 16.129 118 HA LEU 36 HA LEU 36 -3.935 10.500 15.007 119 2HB LEU 36 2HB LEU 36 -3.552 13.407 14.874 120 HG LEU 36 HG LEU 36 -5.768 11.582 15.810 121 1HD1 LEU 36 1HD1 LEU 36 -5.216 14.199 16.802 122 2HD1 LEU 36 2HD1 LEU 36 -6.663 14.283 15.767 123 3HD1 LEU 36 3HD1 LEU 36 -6.611 13.145 17.135 124 1HD2 LEU 36 1HD2 LEU 36 -5.813 11.726 13.481 125 2HD2 LEU 36 2HD2 LEU 36 -6.993 12.950 14.008 126 3HD2 LEU 36 3HD2 LEU 36 -5.369 13.450 13.480 127 H GLY 37 H GLY 37 -1.125 12.669 14.256 128 1HA GLY 37 1HA GLY 37 0.132 11.999 12.252 129 2HA GLY 37 2HA GLY 37 -1.407 11.819 11.434 130 H THR 38 H THR 38 1.160 13.780 11.444 131 HA THR 38 HA THR 38 -0.157 16.336 11.704 132 HB THR 38 HB THR 38 2.247 15.851 12.378 133 HG1 THR 38 1HG THR 38 1.789 17.673 10.121 134 1HG2 THR 38 1HG2 THR 38 3.895 15.988 10.424 135 2HG2 THR 38 2HG2 THR 38 3.039 14.433 10.547 136 3HG2 THR 38 3HG2 THR 38 2.530 15.636 9.337 137 H THR 39 H THR 39 -0.487 13.960 9.468 138 HA THR 39 HA THR 39 -1.612 15.668 7.558 139 HB THR 39 HB THR 39 0.820 16.214 7.142 140 HG1 THR 39 1HG THR 39 -0.727 16.221 5.381 141 1HG2 THR 39 1HG2 THR 39 2.397 14.585 6.812 142 2HG2 THR 39 2HG2 THR 39 1.205 13.427 7.452 143 3HG2 THR 39 3HG2 THR 39 1.327 13.701 5.697 144 H LEU 40 H LEU 40 -3.207 14.525 6.664 145 HA LEU 40 HA LEU 40 -3.333 11.734 7.124 146 2HB LEU 40 2HB LEU 40 -5.266 13.268 7.115 147 HG LEU 40 HG LEU 40 -4.565 13.564 4.235 148 1HD1 LEU 40 1HD1 LEU 40 -6.615 12.181 4.169 149 2HD1 LEU 40 2HD1 LEU 40 -7.452 13.412 5.145 150 3HD1 LEU 40 3HD1 LEU 40 -6.860 13.819 3.516 151 1HD2 LEU 40 1HD2 LEU 40 -4.479 15.663 4.959 152 2HD2 LEU 40 2HD2 LEU 40 -6.254 15.618 5.085 153 3HD2 LEU 40 3HD2 LEU 40 -5.252 15.235 6.504 154 H LEU 41 H LEU 41 -3.362 10.011 5.555 155 HA LEU 41 HA LEU 41 -1.481 10.532 3.415 156 2HB LEU 41 2HB LEU 41 -1.214 8.193 3.292 157 HG LEU 41 HG LEU 41 -1.516 9.116 6.141 158 1HD1 LEU 41 1HD1 LEU 41 -0.817 7.038 7.025 159 2HD1 LEU 41 2HD1 LEU 41 -2.175 6.677 5.932 160 3HD1 LEU 41 3HD1 LEU 41 -0.504 6.365 5.407 161 1HD2 LEU 41 1HD2 LEU 41 0.456 9.533 4.336 162 2HD2 LEU 41 2HD2 LEU 41 0.709 9.467 6.097 163 3HD2 LEU 41 3HD2 LEU 41 1.030 8.030 5.097 164 H GLU 42 H GLU 42 -4.689 11.062 3.753 165 HA GLU 42 HA GLU 42 -5.195 10.193 1.013 166 2HB GLU 42 2HB GLU 42 -7.273 10.514 3.222 167 2HG GLU 42 2HG GLU 42 -8.347 10.764 1.091 168 H GLN 43 H GLN 43 -3.904 12.672 1.814 169 HA GLN 43 HA GLN 43 -5.352 14.830 2.247 170 2HB GLN 43 2HB GLN 43 -3.127 15.336 1.883 171 2HG GLN 43 2HG GLN 43 -2.334 14.507 -0.674 172 1HE2 GLN 43 1HE2 GLN 43 -2.260 11.629 0.774 173 2HE2 GLN 43 2HE2 GLN 43 -0.868 11.766 1.794 174 H TYR 44 H TYR 44 -5.180 13.060 -0.894 175 HA TYR 44 HA TYR 44 -7.792 13.757 -1.605 176 2HB TYR 44 2HB TYR 44 -6.419 15.980 -1.844 177 HD1 TYR 44 1HD TYR 44 -6.270 15.471 -5.319 178 HD2 TYR 44 2HD TYR 44 -3.916 15.043 -1.773 179 HE1 TYR 44 1HE TYR 44 -4.144 15.524 -6.714 180 HE2 TYR 44 2HE TYR 44 -1.799 15.098 -3.178 181 HH TYR 44 HH TYR 44 -1.180 16.102 -5.457 182 H CYS 45 H CYS 45 -4.457 12.910 -2.643 183 HA CYS 45 HA CYS 45 -3.692 11.363 -3.995 184 2HB CYS 45 2HB CYS 45 -6.321 9.937 -4.138 185 H HIS 46 H HIS 46 -5.546 9.880 -6.000 186 HA HIS 46 HA HIS 46 -5.298 11.829 -8.053 187 2HB HIS 46 2HB HIS 46 -6.861 9.506 -8.795 188 HD1 HIS 46 1HD HIS 46 -3.342 11.029 -8.878 189 HD2 HIS 46 2HD HIS 46 -6.059 9.028 -11.370 190 HE1 HIS 46 1HE HIS 46 -2.300 11.015 -11.207 191 H ARG 47 H ARG 47 -7.596 11.317 -9.654 192 HA ARG 47 HA ARG 47 -9.281 13.237 -8.688 193 2HB ARG 47 2HB ARG 47 -9.465 12.862 -11.003 194 2HG ARG 47 2HG ARG 47 -10.238 10.243 -11.527 195 2HD ARG 47 2HD ARG 47 -7.678 9.972 -12.074 196 HE ARG 47 HE ARG 47 -9.724 11.427 -13.409 197 1HH1 ARG 47 2HH2 ARG 47 -6.209 11.267 -13.341 198 2HH1 ARG 47 1HH2 ARG 47 -6.026 11.787 -14.982 199 1HH2 ARG 47 2HH1 ARG 47 -9.483 12.114 -15.574 200 2HH2 ARG 47 1HH1 ARG 47 -7.901 12.273 -16.262 201 H THR 48 H THR 48 -9.307 9.673 -8.318 202 HA THR 48 HA THR 48 -10.893 8.310 -7.409 203 HB THR 48 HB THR 48 -9.226 8.989 -5.651 204 HG1 THR 48 1HG THR 48 -10.797 8.418 -3.906 205 1HG2 THR 48 1HG2 THR 48 -9.637 10.742 -4.120 206 2HG2 THR 48 2HG2 THR 48 -10.207 11.474 -5.639 207 3HG2 THR 48 3HG2 THR 48 -11.378 10.783 -4.488 208 H THR 49 H THR 49 -12.782 8.601 -8.623 209 HA THR 49 HA THR 49 -14.839 10.056 -7.141 210 HB THR 49 HB THR 49 -13.873 11.539 -8.983 211 HG1 THR 49 1HG THR 49 -16.556 10.437 -9.427 212 1HG2 THR 49 1HG2 THR 49 -15.402 9.812 -10.935 213 2HG2 THR 49 2HG2 THR 49 -14.092 10.975 -11.251 214 3HG2 THR 49 3HG2 THR 49 -13.714 9.371 -10.577 215 H ILE 50 H ILE 50 -15.595 8.042 -6.392 216 HA ILE 50 HA ILE 50 -17.470 6.849 -8.100 217 HB ILE 50 HB ILE 50 -15.368 5.914 -9.071 218 2HG1 ILE 50 2HG1 ILE 50 -17.656 4.846 -9.189 219 1HG2 ILE 50 1HG2 ILE 50 -15.171 4.200 -6.600 220 2HG2 ILE 50 2HG2 ILE 50 -14.002 4.404 -7.926 221 3HG2 ILE 50 3HG2 ILE 50 -14.263 5.722 -6.759 222 1HD1 ILE 50 1HD1 ILE 50 -16.134 3.862 -10.677 223 2HD1 ILE 50 2HD1 ILE 50 -15.044 3.336 -9.372 224 3HD1 ILE 50 3HD1 ILE 50 -16.573 2.472 -9.655 225 H GLY 51 H GLY 51 -18.591 4.985 -6.952 226 1HA GLY 51 1HA GLY 51 -18.745 3.767 -4.858 227 2HA GLY 51 2HA GLY 51 -18.189 5.207 -4.029 228 H ASN 52 H ASN 52 -20.728 4.431 -6.526 229 HA ASN 52 HA ASN 52 -22.868 4.800 -6.566 230 2HB ASN 52 2HB ASN 52 -22.908 5.825 -3.700 231 1HD2 ASN 52 1HD2 ASN 52 -24.899 6.475 -3.449 232 2HD2 ASN 52 2HD2 ASN 52 -26.338 5.710 -4.036 233 H PHE 53 H PHE 53 -21.345 6.770 -7.646 234 HA PHE 53 HA PHE 53 -22.920 9.091 -7.307 235 2HB PHE 53 2HB PHE 53 -19.949 9.283 -6.569 236 HD1 PHE 53 1HD PHE 53 -20.223 11.386 -8.034 237 HD2 PHE 53 2HD PHE 53 -22.276 10.814 -4.365 238 HE1 PHE 53 1HE PHE 53 -20.611 13.861 -7.865 239 HE2 PHE 53 2HE PHE 53 -22.663 13.289 -4.195 240 HZ PHE 53 HZ PHE 53 -21.826 14.783 -5.947 241 H SER 54 H SER 54 -19.835 7.609 -8.437 242 HA SER 54 HA SER 54 -20.423 8.573 -11.057 243 2HB SER 54 2HB SER 54 -17.694 9.295 -10.768 244 HG SER 54 HG SER 54 -19.037 11.546 -10.691 245 H GLY 55 H GLY 55 -20.609 6.160 -11.165 246 1HA GLY 55 1HA GLY 55 -17.978 4.815 -11.152 247 2HA GLY 55 2HA GLY 55 -19.524 4.035 -10.885 248 HA PRO 56 HA PRO 56 -18.875 4.957 -15.518 249 2HB PRO 56 2HB PRO 56 -17.150 6.389 -16.045 250 2HG PRO 56 2HG PRO 56 -15.628 6.730 -14.346 251 2HD PRO 56 2HD PRO 56 -16.935 6.233 -12.522 252 H TYR 57 H TYR 57 -16.017 3.057 -14.665 253 HA TYR 57 HA TYR 57 -17.439 0.755 -15.826 254 2HB TYR 57 2HB TYR 57 -15.638 0.889 -17.307 255 HD1 TYR 57 1HD TYR 57 -13.844 2.187 -14.274 256 HD2 TYR 57 2HD TYR 57 -14.971 2.857 -18.345 257 HE1 TYR 57 1HE TYR 57 -12.474 4.329 -14.308 258 HE2 TYR 57 2HE TYR 57 -13.598 4.997 -18.366 259 HH TYR 57 HH TYR 57 -12.442 6.401 -17.188 260 H THR 58 H THR 58 -15.664 -1.260 -15.143 261 HA THR 58 HA THR 58 -15.905 -1.223 -12.219 262 HB THR 58 HB THR 58 -15.568 -3.549 -14.185 263 HG1 THR 58 1HG THR 58 -17.579 -2.338 -14.442 264 1HG2 THR 58 1HG2 THR 58 -16.987 -3.848 -11.575 265 2HG2 THR 58 2HG2 THR 58 -15.856 -4.964 -12.380 266 3HG2 THR 58 3HG2 THR 58 -15.231 -3.590 -11.436 267 H TYR 59 H TYR 59 -13.777 0.264 -13.519 268 HA TYR 59 HA TYR 59 -11.424 -1.366 -13.358 269 2HB TYR 59 2HB TYR 59 -12.057 0.821 -14.748 270 HD1 TYR 59 1HD TYR 59 -13.403 1.485 -12.061 271 HD2 TYR 59 2HD TYR 59 -9.892 2.999 -13.979 272 HE1 TYR 59 1HE TYR 59 -13.674 3.692 -10.829 273 HE2 TYR 59 2HE TYR 59 -10.174 5.202 -12.740 274 HH TYR 59 HH TYR 59 -11.206 5.993 -10.693 275 H CYS 60 H CYS 60 -9.523 -0.568 -11.948 276 HA CYS 60 HA CYS 60 -10.317 -0.800 -9.275 277 2HB CYS 60 2HB CYS 60 -7.890 -0.249 -8.815 278 H ASN 61 H ASN 61 -10.195 0.812 -7.557 279 HA ASN 61 HA ASN 61 -10.400 3.518 -8.623 280 2HB ASN 61 2HB ASN 61 -11.616 2.327 -6.074 281 1HD2 ASN 61 1HD2 ASN 61 -11.749 4.992 -8.438 282 2HD2 ASN 61 2HD2 ASN 61 -12.095 6.265 -7.315 283 H THR 62 H THR 62 -9.694 5.249 -6.925 284 HA THR 62 HA THR 62 -7.088 4.676 -6.038 285 HB THR 62 HB THR 62 -9.086 6.950 -5.676 286 HG1 THR 62 1HG THR 62 -6.559 6.336 -7.024 287 1HG2 THR 62 1HG2 THR 62 -6.150 6.933 -4.811 288 2HG2 THR 62 2HG2 THR 62 -7.291 8.294 -4.692 289 3HG2 THR 62 3HG2 THR 62 -7.510 6.856 -3.665 290 H THR 63 H THR 63 -6.294 3.771 -4.243 291 HA THR 63 HA THR 63 -7.709 3.986 -1.759 292 HB THR 63 HB THR 63 -7.927 1.564 -3.503 293 HG1 THR 63 1HG THR 63 -9.678 2.981 -2.660 294 1HG2 THR 63 1HG2 THR 63 -6.480 0.582 -1.773 295 2HG2 THR 63 2HG2 THR 63 -7.383 1.427 -0.491 296 3HG2 THR 63 3HG2 THR 63 -8.162 0.121 -1.418 297 H LEU 64 H LEU 64 -6.464 3.058 0.054 298 HA LEU 64 HA LEU 64 -3.662 2.616 -0.674 299 2HB LEU 64 2HB LEU 64 -3.685 4.898 -0.124 300 HG LEU 64 HG LEU 64 -5.938 4.725 1.235 301 1HD1 LEU 64 1HD1 LEU 64 -4.632 5.149 3.733 302 2HD1 LEU 64 2HD1 LEU 64 -5.830 3.909 3.291 303 3HD1 LEU 64 3HD1 LEU 64 -4.094 3.583 3.078 304 1HD2 LEU 64 1HD2 LEU 64 -5.508 6.914 2.191 305 2HD2 LEU 64 2HD2 LEU 64 -3.753 6.676 2.011 306 3HD2 LEU 64 3HD2 LEU 64 -4.787 6.797 0.568 307 H ASP 65 H ASP 65 -2.834 0.822 0.271 308 HA ASP 65 HA ASP 65 -4.519 -0.448 2.239 309 2HB ASP 65 2HB ASP 65 -2.013 -1.813 1.441 310 H GLN 66 H GLN 66 -2.359 -2.054 3.438 311 HA GLN 66 HA GLN 66 -1.715 -0.703 5.609 312 2HB GLN 66 2HB GLN 66 0.467 -2.184 5.597 313 2HG GLN 66 2HG GLN 66 -2.008 -2.666 6.496 314 1HE2 GLN 66 1HE2 GLN 66 -3.857 -3.629 6.071 315 2HE2 GLN 66 2HE2 GLN 66 -4.215 -4.628 4.703 316 H ILE 67 H ILE 67 -0.242 -0.297 2.412 317 HA ILE 67 HA ILE 67 1.882 1.350 3.501 318 HB ILE 67 HB ILE 67 1.203 0.447 0.702 319 2HG1 ILE 67 2HG1 ILE 67 2.986 -0.562 2.865 320 1HG2 ILE 67 1HG2 ILE 67 2.784 1.770 -0.185 321 2HG2 ILE 67 2HG2 ILE 67 2.512 2.765 1.265 322 3HG2 ILE 67 3HG2 ILE 67 3.864 1.607 1.221 323 1HD1 ILE 67 1HD1 ILE 67 1.171 -1.995 2.358 324 2HD1 ILE 67 2HD1 ILE 67 1.279 -1.664 0.613 325 3HD1 ILE 67 3HD1 ILE 67 2.508 -2.681 1.404 326 H GLY 68 H GLY 68 1.165 3.302 4.237 327 1HA GLY 68 1HA GLY 68 -1.010 4.728 3.715 328 2HA GLY 68 2HA GLY 68 0.559 5.478 3.936 329 H THR 69 H THR 69 1.894 4.586 1.556 330 HA THR 69 HA THR 69 1.253 6.536 -0.240 331 HB THR 69 HB THR 69 2.619 3.822 -0.441 332 HG1 THR 69 1HG THR 69 4.378 5.505 -0.755 333 1HG2 THR 69 1HG2 THR 69 2.233 3.999 -2.736 334 2HG2 THR 69 2HG2 THR 69 1.899 5.745 -2.644 335 3HG2 THR 69 3HG2 THR 69 3.579 5.157 -2.607 336 H CYS 70 H CYS 70 -0.645 7.005 -1.155 337 HA CYS 70 HA CYS 70 -2.486 4.881 -1.719 338 2HB CYS 70 2HB CYS 70 -3.090 7.175 -0.817 339 H TRP 71 H TRP 71 -3.133 4.207 -3.840 340 HA TRP 71 HA TRP 71 -1.277 5.067 -5.950 341 2HB TRP 71 2HB TRP 71 -1.604 2.911 -6.967 342 HD1 TRP 71 HD TRP 71 -1.731 2.354 -3.098 343 HE1 TRP 71 1HE TRP 71 0.549 1.341 -2.236 344 HE3 TRP 71 3HE TRP 71 0.635 2.493 -7.596 345 HZ2 TRP 71 2HZ TRP 71 3.030 0.726 -3.505 346 HZ3 TRP 71 3HZ TRP 71 2.986 1.669 -7.699 347 HH2 TRP 71 HH TRP 71 4.180 0.807 -5.748 348 HA PRO 72 HA PRO 72 -4.812 6.669 -7.914 349 2HB PRO 72 2HB PRO 72 -3.546 8.167 -9.122 350 2HG PRO 72 2HG PRO 72 -1.318 7.605 -9.317 351 2HD PRO 72 2HD PRO 72 -1.070 6.266 -7.465 352 H GLN 73 H GLN 73 -6.670 6.103 -9.000 353 HA GLN 73 HA GLN 73 -7.282 3.565 -9.227 354 2HB GLN 73 2HB GLN 73 -9.041 4.180 -10.802 355 2HG GLN 73 2HG GLN 73 -8.442 5.654 -8.437 356 1HE2 GLN 73 1HE2 GLN 73 -7.166 7.045 -10.548 357 2HE2 GLN 73 2HE2 GLN 73 -7.825 8.643 -10.653 358 H SER 74 H SER 74 -7.393 1.919 -10.931 359 HA SER 74 HA SER 74 -5.643 2.410 -13.177 360 2HB SER 74 2HB SER 74 -4.271 0.478 -12.798 361 HG SER 74 HG SER 74 -3.926 2.397 -11.302 362 H ALA 75 H ALA 75 -5.624 -0.158 -14.298 363 HA ALA 75 HA ALA 75 -8.483 -0.541 -14.788 364 1HB ALA 75 1HB ALA 75 -6.177 -0.312 -16.447 365 2HB ALA 75 2HB ALA 75 -6.760 -1.987 -16.593 366 3HB ALA 75 3HB ALA 75 -7.857 -0.629 -16.943 367 HA PRO 76 HA PRO 76 -8.345 -4.445 -12.933 368 2HB PRO 76 2HB PRO 76 -10.641 -4.614 -12.933 369 2HG PRO 76 2HG PRO 76 -11.704 -3.313 -14.512 370 2HD PRO 76 2HD PRO 76 -10.113 -1.685 -14.837 371 H GLY 77 H GLY 77 -7.491 -6.528 -12.972 372 1HA GLY 77 1HA GLY 77 -6.430 -8.288 -13.913 373 2HA GLY 77 2HA GLY 77 -7.011 -7.790 -15.490 374 H ALA 78 H ALA 78 -5.556 -5.108 -13.971 375 HA ALA 78 HA ALA 78 -3.173 -5.486 -15.608 376 1HB ALA 78 1HB ALA 78 -2.959 -3.118 -15.518 377 2HB ALA 78 2HB ALA 78 -4.704 -3.423 -15.702 378 3HB ALA 78 3HB ALA 78 -4.039 -2.994 -14.108 379 H LEU 79 H LEU 79 -1.572 -3.583 -14.040 380 HA LEU 79 HA LEU 79 -1.344 -4.386 -11.380 381 2HB LEU 79 2HB LEU 79 -0.684 -6.520 -11.894 382 HG LEU 79 HG LEU 79 -0.171 -5.732 -14.469 383 1HD1 LEU 79 1HD1 LEU 79 2.470 -6.833 -13.989 384 2HD1 LEU 79 2HD1 LEU 79 1.979 -5.395 -14.915 385 3HD1 LEU 79 3HD1 LEU 79 2.250 -5.273 -13.161 386 1HD2 LEU 79 1HD2 LEU 79 0.121 -8.228 -12.897 387 2HD2 LEU 79 2HD2 LEU 79 -0.832 -7.888 -14.362 388 3HD2 LEU 79 3HD2 LEU 79 0.916 -8.200 -14.490 389 H VAL 80 H VAL 80 -0.100 -2.879 -10.338 390 HA VAL 80 HA VAL 80 1.382 -1.066 -12.099 391 HB VAL 80 HB VAL 80 0.048 -0.750 -9.415 392 1HG1 VAL 80 1HG1 VAL 80 1.823 0.578 -8.906 393 2HG1 VAL 80 2HG1 VAL 80 2.274 0.824 -10.610 394 3HG1 VAL 80 3HG1 VAL 80 0.928 1.749 -9.903 395 1HG2 VAL 80 1HG2 VAL 80 -0.341 0.478 -12.155 396 2HG2 VAL 80 2HG2 VAL 80 -1.499 -0.468 -11.189 397 3HG2 VAL 80 3HG2 VAL 80 -1.047 1.176 -10.677 398 H GLU 81 H GLU 81 2.897 -3.164 -11.964 399 HA GLU 81 HA GLU 81 4.431 -3.126 -9.530 400 2HB GLU 81 2HB GLU 81 3.805 -5.275 -10.692 401 2HG GLU 81 2HG GLU 81 4.775 -3.931 -12.982 402 H ARG 82 H ARG 82 6.654 -2.519 -9.391 403 HA ARG 82 HA ARG 82 7.886 -1.532 -11.778 404 2HB ARG 82 2HB ARG 82 8.355 0.720 -10.822 405 2HG ARG 82 2HG ARG 82 5.366 0.207 -10.555 406 2HD ARG 82 2HD ARG 82 5.704 2.444 -12.101 407 HE ARG 82 HE ARG 82 4.733 1.988 -9.557 408 1HH1 ARG 82 2HH2 ARG 82 6.746 4.515 -10.951 409 2HH1 ARG 82 1HH2 ARG 82 6.199 5.735 -9.849 410 1HH2 ARG 82 2HH1 ARG 82 4.011 3.596 -8.104 411 2HH2 ARG 82 1HH1 ARG 82 4.633 5.209 -8.219 412 HA PRO 83 HA PRO 83 10.594 -3.373 -8.562 413 2HB PRO 83 2HB PRO 83 10.095 -5.608 -8.798 414 2HG PRO 83 2HG PRO 83 8.759 -6.111 -10.610 415 2HD PRO 83 2HD PRO 83 7.712 -4.087 -10.918 416 H CYS 84 H CYS 84 12.106 -1.789 -8.522 417 HA CYS 84 HA CYS 84 14.010 -0.824 -9.036 418 2HB CYS 84 2HB CYS 84 15.769 -1.999 -10.027 419 HA PRO 85 HA PRO 85 13.175 1.364 -12.707 420 2HB PRO 85 2HB PRO 85 14.402 3.188 -12.019 421 2HG PRO 85 2HG PRO 85 16.043 2.715 -10.469 422 2HD PRO 85 2HD PRO 85 15.194 0.785 -9.552 423 H GLU 86 H GLU 86 16.444 0.070 -13.121 424 HA GLU 86 HA GLU 86 15.433 -1.148 -15.558 425 2HB GLU 86 2HB GLU 86 18.226 -0.150 -15.723 426 2HG GLU 86 2HG GLU 86 16.238 0.708 -17.727 427 H TYR 87 H TYR 87 16.407 -3.170 -16.096 428 HA TYR 87 HA TYR 87 17.608 -4.492 -13.855 429 2HB TYR 87 2HB TYR 87 17.449 -5.555 -16.705 430 HD1 TYR 87 1HD TYR 87 14.918 -6.723 -14.470 431 HD2 TYR 87 2HD TYR 87 19.047 -7.195 -15.484 432 HE1 TYR 87 1HE TYR 87 14.947 -8.993 -13.326 433 HE2 TYR 87 2HE TYR 87 19.062 -9.464 -14.337 434 HH TYR 87 HH TYR 87 17.426 -11.208 -13.781 435 H PHE 88 H PHE 88 19.454 -2.660 -14.143 436 HA PHE 88 HA PHE 88 21.359 -3.264 -16.177 437 2HB PHE 88 2HB PHE 88 21.187 -0.996 -15.292 438 HD1 PHE 88 1HD PHE 88 22.901 -2.323 -12.318 439 HD2 PHE 88 2HD PHE 88 19.387 -0.470 -13.807 440 HE1 PHE 88 1HE PHE 88 22.174 -1.815 -9.969 441 HE2 PHE 88 2HE PHE 88 18.659 0.038 -11.459 442 HZ PHE 88 HZ PHE 88 20.061 -0.641 -9.568 443 H ASN 89 H ASN 89 21.060 -3.855 -12.618 444 HA ASN 89 HA ASN 89 21.986 -5.331 -11.325 445 2HB ASN 89 2HB ASN 89 22.959 -7.406 -12.222 446 1HD2 ASN 89 1HD2 ASN 89 20.445 -6.484 -11.596 447 2HD2 ASN 89 2HD2 ASN 89 19.266 -7.138 -12.684 448 H GLY 90 H GLY 90 23.407 -3.507 -10.613 449 1HA GLY 90 1HA GLY 90 25.632 -3.293 -9.833 450 2HA GLY 90 2HA GLY 90 26.225 -3.984 -11.330 451 H ILE 91 H ILE 91 23.990 -1.257 -10.407 452 HA ILE 91 HA ILE 91 25.760 0.645 -11.602 453 HB ILE 91 HB ILE 91 23.732 -0.571 -13.222 454 2HG1 ILE 91 2HG1 ILE 91 24.858 0.599 -14.995 455 1HG2 ILE 91 1HG2 ILE 91 23.411 2.426 -12.941 456 2HG2 ILE 91 2HG2 ILE 91 22.506 1.326 -14.008 457 3HG2 ILE 91 3HG2 ILE 91 22.296 1.226 -12.243 458 1HD1 ILE 91 1HD1 ILE 91 26.122 2.240 -12.753 459 2HD1 ILE 91 2HD1 ILE 91 26.671 2.256 -14.447 460 3HD1 ILE 91 3HD1 ILE 91 25.042 2.844 -14.033 461 H LYS 92 H LYS 92 24.643 2.916 -11.506 462 HA LYS 92 HA LYS 92 23.479 3.067 -8.872 463 2HB LYS 92 2HB LYS 92 23.778 5.553 -10.414 464 2HG LYS 92 2HG LYS 92 25.090 4.560 -7.842 465 2HD LYS 92 2HD LYS 92 24.320 7.417 -8.403 466 2HE LYS 92 2HE LYS 92 26.839 7.389 -7.304 467 1HZ LYS 92 1HZ LYS 92 24.205 7.723 -6.391 468 2HZ LYS 92 2HZ LYS 92 25.123 7.076 -5.207 469 3HZ LYS 92 3HZ LYS 92 25.564 8.485 -5.904 470 H TYR 93 H TYR 93 21.338 2.687 -8.650 471 HA TYR 93 HA TYR 93 19.562 3.144 -10.861 472 2HB TYR 93 2HB TYR 93 19.276 1.227 -9.320 473 HD1 TYR 93 1HD TYR 93 18.382 4.163 -7.153 474 HD2 TYR 93 2HD TYR 93 20.404 0.406 -7.464 475 HE1 TYR 93 1HE TYR 93 18.969 4.265 -4.681 476 HE2 TYR 93 2HE TYR 93 20.985 0.521 -4.992 477 HH TYR 93 HH TYR 93 20.437 1.533 -3.063 478 H ASN 94 H ASN 94 17.343 4.254 -10.263 479 HA ASN 94 HA ASN 94 18.081 6.820 -9.108 480 2HB ASN 94 2HB ASN 94 15.983 7.617 -10.389 481 1HD2 ASN 94 1HD2 ASN 94 18.427 5.332 -11.619 482 2HD2 ASN 94 2HD2 ASN 94 19.197 6.412 -12.733 483 H THR 95 H THR 95 15.905 4.014 -9.010 484 HA THR 95 HA THR 95 14.332 3.357 -7.583 485 HB THR 95 HB THR 95 15.794 5.441 -5.899 486 HG1 THR 95 1HG THR 95 16.932 3.577 -5.488 487 1HG2 THR 95 1HG2 THR 95 14.168 3.339 -4.547 488 2HG2 THR 95 2HG2 THR 95 14.447 5.031 -4.070 489 3HG2 THR 95 3HG2 THR 95 13.211 4.643 -5.290 490 H THR 96 H THR 96 12.332 3.657 -8.344 491 HA THR 96 HA THR 96 11.189 6.347 -7.970 492 HB THR 96 HB THR 96 9.976 5.962 -10.105 493 HG1 THR 96 1HG THR 96 11.652 3.558 -10.169 494 1HG2 THR 96 1HG2 THR 96 11.962 6.934 -10.850 495 2HG2 THR 96 2HG2 THR 96 12.977 5.728 -10.024 496 3HG2 THR 96 3HG2 THR 96 12.181 5.317 -11.562 497 H ARG 97 H ARG 97 10.994 4.825 -5.811 498 HA ARG 97 HA ARG 97 9.635 3.856 -4.438 499 2HB ARG 97 2HB ARG 97 7.022 4.144 -5.226 500 2HG ARG 97 2HG ARG 97 7.109 6.425 -4.186 501 2HD ARG 97 2HD ARG 97 7.947 3.947 -3.002 502 HE ARG 97 HE ARG 97 9.957 4.578 -2.010 503 1HH1 ARG 97 2HH2 ARG 97 7.909 7.427 -2.278 504 2HH1 ARG 97 1HH2 ARG 97 9.031 8.467 -1.467 505 1HH2 ARG 97 2HH1 ARG 97 11.437 5.950 -0.939 506 2HH2 ARG 97 1HH1 ARG 97 11.051 7.622 -0.700 507 H ASN 98 H ASN 98 10.678 1.822 -5.533 508 HA ASN 98 HA ASN 98 9.350 0.360 -7.415 509 2HB ASN 98 2HB ASN 98 11.570 -0.328 -6.807 510 1HD2 ASN 98 1HD2 ASN 98 12.981 -1.414 -5.197 511 2HD2 ASN 98 2HD2 ASN 98 12.925 -0.879 -3.550 512 H ALA 99 H ALA 99 8.028 -1.683 -7.107 513 HA ALA 99 HA ALA 99 7.009 -2.587 -4.741 514 1HB ALA 99 1HB ALA 99 5.517 -1.074 -4.018 515 2HB ALA 99 2HB ALA 99 5.971 0.011 -5.354 516 3HB ALA 99 3HB ALA 99 4.658 -1.170 -5.574 517 H TYR 100 H TYR 100 4.793 -3.795 -5.165 518 HA TYR 100 HA TYR 100 4.417 -4.388 -7.982 519 2HB TYR 100 2HB TYR 100 5.279 -6.337 -5.757 520 HD1 TYR 100 1HD TYR 100 3.398 -7.895 -5.955 521 HD2 TYR 100 2HD TYR 100 5.764 -6.849 -9.363 522 HE1 TYR 100 1HE TYR 100 2.423 -9.859 -7.244 523 HE2 TYR 100 2HE TYR 100 4.782 -8.817 -10.639 524 HH TYR 100 HH TYR 100 2.063 -10.532 -9.493 525 H ARG 101 H ARG 101 2.259 -3.838 -8.021 526 HA ARG 101 HA ARG 101 0.612 -5.371 -6.184 527 2HB ARG 101 2HB ARG 101 -0.887 -3.058 -6.678 528 2HG ARG 101 2HG ARG 101 0.498 -2.525 -4.290 529 2HD ARG 101 2HD ARG 101 -1.620 -4.495 -3.892 530 HE ARG 101 HE ARG 101 -1.646 -2.767 -2.285 531 1HH1 ARG 101 2HH2 ARG 101 -1.919 -1.412 -5.521 532 2HH1 ARG 101 1HH2 ARG 101 -2.322 0.176 -4.960 533 1HH2 ARG 101 2HH1 ARG 101 -2.178 -0.673 -1.544 534 2HH2 ARG 101 1HH1 ARG 101 -2.470 0.600 -2.682 535 H GLU 102 H GLU 102 -0.955 -6.551 -7.264 536 HA GLU 102 HA GLU 102 -1.316 -5.887 -10.067 537 2HB GLU 102 2HB GLU 102 -0.569 -8.167 -9.669 538 2HG GLU 102 2HG GLU 102 -2.620 -8.038 -7.517 539 H CYS 103 H CYS 103 -3.522 -5.978 -11.008 540 HA CYS 103 HA CYS 103 -5.532 -5.318 -8.978 541 2HB CYS 103 2HB CYS 103 -6.305 -4.268 -11.496 542 H LEU 104 H LEU 104 -7.076 -6.908 -8.841 543 HA LEU 104 HA LEU 104 -7.178 -9.054 -10.608 544 2HB LEU 104 2HB LEU 104 -9.584 -9.165 -9.426 545 HG LEU 104 HG LEU 104 -6.910 -9.725 -8.130 546 1HD1 LEU 104 1HD1 LEU 104 -9.539 -9.627 -6.890 547 2HD1 LEU 104 2HD1 LEU 104 -8.813 -11.249 -6.787 548 3HD1 LEU 104 3HD1 LEU 104 -7.930 -9.838 -6.157 549 1HD2 LEU 104 1HD2 LEU 104 -8.473 -12.055 -8.590 550 2HD2 LEU 104 2HD2 LEU 104 -8.497 -11.080 -10.079 551 3HD2 LEU 104 3HD2 LEU 104 -6.944 -11.567 -9.359 552 H GLU 105 H GLU 105 -9.205 -9.712 -11.883 553 HA GLU 105 HA GLU 105 -9.672 -7.617 -13.740 554 2HB GLU 105 2HB GLU 105 -11.088 -10.298 -13.754 555 2HG GLU 105 2HG GLU 105 -9.839 -8.641 -15.993 556 H ASN 106 H ASN 106 -10.932 -8.125 -10.746 557 HA ASN 106 HA ASN 106 -13.674 -7.642 -11.519 558 2HB ASN 106 2HB ASN 106 -12.992 -7.604 -8.622 559 1HD2 ASN 106 1HD2 ASN 106 -13.955 -10.605 -9.796 560 2HD2 ASN 106 2HD2 ASN 106 -15.674 -10.455 -9.642 561 H GLY 107 H GLY 107 -10.843 -5.905 -11.057 562 1HA GLY 107 1HA GLY 107 -10.572 -3.639 -11.000 563 2HA GLY 107 2HA GLY 107 -12.263 -3.429 -10.593 564 H THR 108 H THR 108 -9.577 -5.311 -9.016 565 HA THR 108 HA THR 108 -9.804 -3.561 -6.687 566 HB THR 108 HB THR 108 -10.029 -5.592 -5.222 567 HG1 THR 108 1HG THR 108 -10.282 -6.749 -7.909 568 1HG2 THR 108 1HG2 THR 108 -12.166 -4.517 -5.934 569 2HG2 THR 108 2HG2 THR 108 -12.134 -5.455 -7.446 570 3HG2 THR 108 3HG2 THR 108 -12.345 -6.287 -5.886 571 H TRP 109 H TRP 109 -7.977 -3.729 -5.210 572 HA TRP 109 HA TRP 109 -5.569 -4.190 -6.724 573 2HB TRP 109 2HB TRP 109 -4.546 -3.376 -4.503 574 HD1 TRP 109 HD TRP 109 -6.968 -0.599 -4.687 575 HE1 TRP 109 1HE TRP 109 -6.260 1.320 -6.355 576 HE3 TRP 109 3HE TRP 109 -3.339 -3.268 -7.044 577 HZ2 TRP 109 2HZ TRP 109 -4.307 1.501 -8.427 578 HZ3 TRP 109 3HZ TRP 109 -2.079 -2.147 -8.879 579 HH2 TRP 109 HH TRP 109 -2.513 0.154 -9.579 580 H ALA 110 H ALA 110 -3.766 -5.113 -4.823 581 HA ALA 110 HA ALA 110 -4.750 -7.838 -4.430 582 1HB ALA 110 1HB ALA 110 -1.985 -7.704 -3.911 583 2HB ALA 110 2HB ALA 110 -2.770 -8.304 -5.392 584 3HB ALA 110 3HB ALA 110 -2.253 -6.603 -5.283 585 H SER 111 H SER 111 -2.969 -8.695 -2.439 586 HA SER 111 HA SER 111 -4.324 -7.923 -0.179 587 2HB SER 111 2HB SER 111 -1.905 -8.873 0.793 588 HG SER 111 HG SER 111 -4.196 -10.276 -0.275 589 H ARG 112 H ARG 112 -0.911 -7.112 -1.170 590 HA ARG 112 HA ARG 112 -1.189 -4.456 -0.425 591 2HB ARG 112 2HB ARG 112 -1.155 -5.258 1.895 592 2HG ARG 112 2HG ARG 112 1.428 -6.675 1.083 593 2HD ARG 112 2HD ARG 112 0.404 -5.749 3.691 594 HE ARG 112 HE ARG 112 1.379 -8.484 3.984 595 1HH1 ARG 112 2HH2 ARG 112 -1.509 -6.519 3.553 596 2HH1 ARG 112 1HH2 ARG 112 -2.569 -7.696 4.254 597 1HH2 ARG 112 2HH1 ARG 112 -0.020 -10.037 4.908 598 2HH2 ARG 112 1HH1 ARG 112 -1.717 -9.710 5.030 599 H VAL 113 H VAL 113 0.556 -3.267 -1.310 600 HA VAL 113 HA VAL 113 2.148 -4.422 -3.193 601 HB VAL 113 HB VAL 113 1.582 -1.962 -2.636 602 1HG1 VAL 113 1HG1 VAL 113 3.223 -2.466 -0.448 603 2HG1 VAL 113 2HG1 VAL 113 4.266 -1.541 -1.555 604 3HG1 VAL 113 3HG1 VAL 113 2.703 -0.868 -1.034 605 1HG2 VAL 113 1HG2 VAL 113 4.364 -2.657 -3.636 606 2HG2 VAL 113 2HG2 VAL 113 2.872 -2.748 -4.603 607 3HG2 VAL 113 3HG2 VAL 113 3.442 -1.176 -3.992 608 H ASN 114 H ASN 114 4.473 -4.874 -3.288 609 HA ASN 114 HA ASN 114 5.920 -5.067 -0.884 610 2HB ASN 114 2HB ASN 114 4.402 -7.110 -0.720 611 1HD2 ASN 114 1HD2 ASN 114 3.258 -7.219 -2.774 612 2HD2 ASN 114 2HD2 ASN 114 3.706 -8.410 -3.949 613 H TYR 115 H TYR 115 8.189 -5.845 -1.371 614 HA TYR 115 HA TYR 115 8.964 -6.729 -3.903 615 2HB TYR 115 2HB TYR 115 8.290 -4.478 -4.658 616 HD1 TYR 115 1HD TYR 115 11.225 -3.066 -3.036 617 HD2 TYR 115 2HD TYR 115 6.958 -3.333 -2.874 618 HE1 TYR 115 1HE TYR 115 11.150 -1.048 -1.491 619 HE2 TYR 115 2HE TYR 115 6.897 -1.314 -1.330 620 HH TYR 115 HH TYR 115 8.668 0.775 -1.030 621 H SER 116 H SER 116 10.397 -8.076 -2.816 622 HA SER 116 HA SER 116 12.450 -6.656 -1.305 623 2HB SER 116 2HB SER 116 11.210 -8.046 0.232 624 HG SER 116 HG SER 116 11.102 -10.394 -0.175 625 H HIS 117 H HIS 117 11.789 -8.039 -4.225 626 HA HIS 117 HA HIS 117 14.262 -9.549 -4.414 627 2HB HIS 117 2HB HIS 117 13.414 -10.169 -6.657 628 HD1 HIS 117 1HD HIS 117 13.680 -12.031 -4.480 629 HD2 HIS 117 2HD HIS 117 9.882 -10.590 -5.530 630 HE1 HIS 117 1HE HIS 117 11.996 -13.705 -3.544 631 H CYS 118 H CYS 118 13.840 -6.451 -4.140 632 HA CYS 118 HA CYS 118 15.412 -5.778 -6.521 633 2HB CYS 118 2HB CYS 118 13.752 -3.839 -4.910 634 H GLU 119 H GLU 119 14.796 -5.134 -3.003 635 HA GLU 119 HA GLU 119 16.872 -3.510 -2.467 636 2HB GLU 119 2HB GLU 119 16.534 -5.588 -0.400 637 2HG GLU 119 2HG GLU 119 15.318 -2.909 -0.045 638 HA PRO 120 HA PRO 120 19.686 -7.308 -2.041 639 2HB PRO 120 2HB PRO 120 18.727 -9.236 -1.225 640 2HG PRO 120 2HG PRO 120 16.436 -9.352 -1.474 641 2HD PRO 120 2HD PRO 120 15.926 -7.113 -1.601 642 H ILE 121 H ILE 121 21.323 -6.901 -3.372 643 HA ILE 121 HA ILE 121 20.895 -7.748 -6.128 644 HB ILE 121 HB ILE 121 21.556 -4.958 -5.226 645 2HG1 ILE 121 2HG1 ILE 121 19.736 -4.292 -6.566 646 1HG2 ILE 121 1HG2 ILE 121 23.311 -5.360 -6.741 647 2HG2 ILE 121 2HG2 ILE 121 22.267 -6.296 -7.838 648 3HG2 ILE 121 3HG2 ILE 121 22.051 -4.536 -7.691 649 1HD1 ILE 121 1HD1 ILE 121 18.575 -6.578 -7.676 650 2HD1 ILE 121 2HD1 ILE 121 19.486 -5.339 -8.571 651 3HD1 ILE 121 3HD1 ILE 121 20.311 -6.806 -7.992 652 H LEU 122 H LEU 122 22.939 -8.063 -7.304 653 HA LEU 122 HA LEU 122 24.973 -8.971 -5.464 654 2HB LEU 122 2HB LEU 122 24.292 -10.468 -7.194 655 HG LEU 122 HG LEU 122 24.292 -8.201 -8.938 656 1HD1 LEU 122 1HD1 LEU 122 26.705 -8.988 -9.293 657 2HD1 LEU 122 2HD1 LEU 122 25.991 -10.414 -10.085 658 3HD1 LEU 122 3HD1 LEU 122 25.677 -8.785 -10.732 659 1HD2 LEU 122 1HD2 LEU 122 23.477 -11.082 -9.057 660 2HD2 LEU 122 2HD2 LEU 122 22.485 -9.606 -9.143 661 3HD2 LEU 122 3HD2 LEU 122 23.465 -10.103 -10.544 662 H ASP 123 H ASP 123 24.911 -6.343 -5.049 663 HA ASP 123 HA ASP 123 27.457 -5.546 -5.738 664 2HB ASP 123 2HB ASP 123 25.416 -3.789 -7.129 665 H ASP 124 H ASP 124 27.149 -5.249 -3.362 666 HA ASP 124 HA ASP 124 26.653 -2.647 -2.660 667 2HB ASP 124 2HB ASP 124 24.513 -4.169 -1.279 668 H LYS 125 H LYS 125 27.651 -2.377 -0.615 669 HA LYS 125 HA LYS 125 27.490 -4.055 1.529 670 2HB LYS 125 2HB LYS 125 30.150 -4.807 0.756 671 2HG LYS 125 2HG LYS 125 29.122 -7.113 1.065 672 2HD LYS 125 2HD LYS 125 28.396 -5.074 3.221 673 2HE LYS 125 2HE LYS 125 29.014 -7.108 4.700 674 1HZ LYS 125 1HZ LYS 125 26.635 -6.569 3.264 675 2HZ LYS 125 2HZ LYS 125 26.742 -8.147 3.672 676 3HZ LYS 125 3HZ LYS 125 26.825 -6.996 4.829 677 H GLN 126 H GLN 126 27.417 -1.944 2.437 678 HA GLN 126 HA GLN 126 30.072 -0.886 2.841 679 2HB GLN 126 2HB GLN 126 28.786 1.485 2.601 680 2HG GLN 126 2HG GLN 126 29.705 0.074 0.075 681 1HE2 GLN 126 1HE2 GLN 126 28.163 1.949 -0.446 682 2HE2 GLN 126 2HE2 GLN 126 28.888 3.505 -0.675 683 H ARG 127 H ARG 127 29.780 1.113 4.540 684 HA ARG 127 HA ARG 127 29.211 1.734 6.531 685 2HB ARG 127 2HB ARG 127 26.703 0.535 7.152 686 2HG ARG 127 2HG ARG 127 27.595 3.204 6.020 687 2HD ARG 127 2HD ARG 127 25.238 4.011 6.436 688 HE ARG 127 HE ARG 127 24.757 2.058 4.351 689 1HH1 ARG 127 2HH2 ARG 127 26.752 4.840 5.163 690 2HH1 ARG 127 1HH2 ARG 127 27.031 5.284 3.512 691 1HH2 ARG 127 2HH1 ARG 127 25.125 2.642 2.173 692 2HH2 ARG 127 1HH1 ARG 127 26.099 4.025 1.799 693 H LYS 128 H LYS 128 29.717 0.972 8.623 694 HA LYS 128 HA LYS 128 29.024 -1.567 9.559 695 2HB LYS 128 2HB LYS 128 31.954 -1.511 8.894 696 2HG LYS 128 2HG LYS 128 31.093 -4.081 8.689 697 2HD LYS 128 2HD LYS 128 31.351 -3.174 11.522 698 2HE LYS 128 2HE LYS 128 33.326 -4.800 11.346 699 1HZ LYS 128 1HZ LYS 128 31.063 -6.254 10.354 700 2HZ LYS 128 2HZ LYS 128 31.907 -6.454 11.739 701 3HZ LYS 128 3HZ LYS 128 30.749 -5.306 11.647 702 H TYR 129 H TYR 129 31.944 0.605 9.640 703 HA TYR 129 HA TYR 129 32.934 1.648 11.331 704 2HB TYR 129 2HB TYR 129 29.996 1.701 12.270 705 HD1 TYR 129 1HD TYR 129 33.079 3.861 12.268 706 HD2 TYR 129 2HD TYR 129 29.623 2.514 14.401 707 HE1 TYR 129 1HE TYR 129 33.725 5.316 14.249 708 HE2 TYR 129 2HE TYR 129 30.282 3.974 16.375 709 HH TYR 129 HH TYR 129 31.688 6.190 16.583 710 H ASP 130 H ASP 130 33.196 1.749 13.860 711 HA ASP 130 HA ASP 130 32.219 -0.216 15.468 712 2HB ASP 130 2HB ASP 130 34.861 -1.295 15.261 713 H LEU 131 H LEU 131 33.744 -0.464 17.509 714 HA LEU 131 HA LEU 131 35.580 1.817 17.665 715 2HB LEU 131 2HB LEU 131 33.458 1.051 19.674 716 HG LEU 131 HG LEU 131 35.553 1.921 20.758 717 1HD1 LEU 131 1HD1 LEU 131 35.228 4.687 20.084 718 2HD1 LEU 131 2HD1 LEU 131 36.664 3.647 19.925 719 3HD1 LEU 131 3HD1 LEU 131 35.487 3.748 18.594 720 1HD2 LEU 131 1HD2 LEU 131 32.882 2.567 21.206 721 2HD2 LEU 131 2HD2 LEU 131 34.238 2.757 22.344 722 3HD2 LEU 131 3HD2 LEU 131 33.740 4.123 21.317 723 H HIS 132 H HIS 132 37.528 1.377 18.632 724 HA HIS 132 HA HIS 132 37.715 -1.143 20.088 725 2HB HIS 132 2HB HIS 132 40.114 -0.759 18.570 726 HD1 HIS 132 1HD HIS 132 36.927 -2.806 18.981 727 HD2 HIS 132 2HD HIS 132 40.955 -3.321 17.927 728 HE1 HIS 132 1HE HIS 132 37.315 -5.325 18.851 729 HE2 HIS 132 2HE HIS 132 39.793 -5.579 18.145 730 H TYR 133 H TYR 133 39.294 -1.154 21.759 731 HA TYR 133 HA TYR 133 39.932 1.475 22.715 732 2HB TYR 133 2HB TYR 133 40.853 -1.282 23.709 733 HD1 TYR 133 1HD TYR 133 38.624 0.333 25.909 734 HD2 TYR 133 2HD TYR 133 42.692 0.434 24.585 735 HE1 TYR 133 1HE TYR 133 39.298 1.530 28.048 736 HE2 TYR 133 2HE TYR 133 43.352 1.630 26.729 737 HH TYR 133 HH TYR 133 41.633 1.639 29.389 Start of MODEL 2 1 1H GLY 15 H GLY 15 -67.656 48.125 -26.868 2 1HA GLY 15 1HA GLY 15 -65.246 49.516 -25.975 3 2HA GLY 15 2HA GLY 15 -65.983 48.094 -25.264 4 H SER 16 H SER 16 -63.775 47.156 -25.262 5 HA SER 16 HA SER 16 -63.430 45.527 -27.522 6 2HB SER 16 2HB SER 16 -61.444 47.788 -27.077 7 HG SER 16 HG SER 16 -61.122 45.511 -28.834 8 H GLY 17 H GLY 17 -61.379 44.085 -27.191 9 1HA GLY 17 1HA GLY 17 -61.356 43.221 -24.461 10 2HA GLY 17 2HA GLY 17 -60.468 42.541 -25.810 11 H MET 18 H MET 18 -59.979 43.833 -22.854 12 HA MET 18 HA MET 18 -57.290 44.260 -23.249 13 2HB MET 18 2HB MET 18 -57.904 46.356 -24.388 14 2HG MET 18 2HG MET 18 -59.341 47.289 -21.878 15 1HE MET 18 1HE MET 18 -61.497 49.745 -24.314 16 2HE MET 18 2HE MET 18 -61.774 47.986 -24.270 17 3HE MET 18 3HE MET 18 -61.537 48.888 -22.754 18 H LYS 19 H LYS 19 -56.565 45.950 -21.169 19 HA LYS 19 HA LYS 19 -56.366 46.030 -18.973 20 2HB LYS 19 2HB LYS 19 -58.628 45.763 -17.661 21 2HG LYS 19 2HG LYS 19 -58.129 47.956 -19.729 22 2HD LYS 19 2HD LYS 19 -59.947 47.788 -17.293 23 2HE LYS 19 2HE LYS 19 -59.012 50.291 -18.779 24 1HZ LYS 19 1HZ LYS 19 -61.318 50.297 -18.027 25 2HZ LYS 19 2HZ LYS 19 -60.838 49.990 -16.497 26 3HZ LYS 19 3HZ LYS 19 -60.413 51.391 -17.220 27 H GLU 20 H GLU 20 -57.145 44.622 -16.802 28 HA GLU 20 HA GLU 20 -56.830 42.753 -15.744 29 2HB GLU 20 2HB GLU 20 -57.675 40.589 -16.919 30 2HG GLU 20 2HG GLU 20 -59.563 42.985 -16.737 31 H THR 21 H THR 21 -54.793 42.056 -15.283 32 HA THR 21 HA THR 21 -53.377 40.405 -17.131 33 HB THR 21 HB THR 21 -52.580 43.317 -16.703 34 HG1 THR 21 1HG THR 21 -52.254 42.815 -19.115 35 1HG2 THR 21 1HG2 THR 21 -50.555 41.891 -16.245 36 2HG2 THR 21 2HG2 THR 21 -50.846 41.027 -17.773 37 3HG2 THR 21 3HG2 THR 21 -50.419 42.755 -17.795 38 H ALA 22 H ALA 22 -51.482 39.425 -16.183 39 HA ALA 22 HA ALA 22 -51.025 40.029 -13.384 40 1HB ALA 22 1HB ALA 22 -51.386 37.638 -12.751 41 2HB ALA 22 2HB ALA 22 -52.882 38.447 -13.276 42 3HB ALA 22 3HB ALA 22 -52.038 37.335 -14.379 43 H ALA 23 H ALA 23 -49.118 38.671 -12.561 44 HA ALA 23 HA ALA 23 -47.492 37.259 -14.321 45 1HB ALA 23 1HB ALA 23 -45.703 38.980 -14.678 46 2HB ALA 23 2HB ALA 23 -47.216 39.345 -15.540 47 3HB ALA 23 3HB ALA 23 -46.815 40.214 -14.039 48 H ALA 24 H ALA 24 -45.543 36.530 -13.247 49 HA ALA 24 HA ALA 24 -44.842 37.592 -10.704 50 1HB ALA 24 1HB ALA 24 -45.750 34.779 -10.402 51 2HB ALA 24 2HB ALA 24 -45.855 36.145 -9.265 52 3HB ALA 24 3HB ALA 24 -47.045 35.987 -10.579 53 H LYS 25 H LYS 25 -43.263 35.780 -9.620 54 HA LYS 25 HA LYS 25 -42.022 33.971 -11.351 55 2HB LYS 25 2HB LYS 25 -39.821 35.580 -11.307 56 2HG LYS 25 2HG LYS 25 -41.693 34.530 -13.242 57 2HD LYS 25 2HD LYS 25 -41.654 37.348 -13.349 58 2HE LYS 25 2HE LYS 25 -39.296 36.352 -14.658 59 1HZ LYS 25 1HZ LYS 25 -41.121 37.625 -16.553 60 2HZ LYS 25 2HZ LYS 25 -39.696 36.889 -16.854 61 3HZ LYS 25 3HZ LYS 25 -41.007 35.999 -16.460 62 H PHE 26 H PHE 26 -39.661 33.471 -10.359 63 HA PHE 26 HA PHE 26 -39.366 34.150 -7.620 64 2HB PHE 26 2HB PHE 26 -41.302 32.430 -7.716 65 HD1 PHE 26 1HD PHE 26 -39.052 29.849 -6.963 66 HD2 PHE 26 2HD PHE 26 -41.148 31.589 -10.217 67 HE1 PHE 26 1HE PHE 26 -38.823 27.709 -8.255 68 HE2 PHE 26 2HE PHE 26 -40.919 29.450 -11.509 69 HZ PHE 26 HZ PHE 26 -39.759 27.535 -10.512 70 H GLU 27 H GLU 27 -37.638 32.475 -6.610 71 HA GLU 27 HA GLU 27 -36.015 31.099 -8.389 72 2HB GLU 27 2HB GLU 27 -35.447 33.352 -9.250 73 2HG GLU 27 2HG GLU 27 -34.100 33.977 -6.616 74 H ARG 28 H ARG 28 -33.803 30.547 -7.263 75 HA ARG 28 HA ARG 28 -33.547 31.104 -4.554 76 2HB ARG 28 2HB ARG 28 -35.484 29.627 -4.238 77 2HG ARG 28 2HG ARG 28 -34.783 27.073 -4.940 78 2HD ARG 28 2HD ARG 28 -36.454 29.217 -6.195 79 HE ARG 28 HE ARG 28 -36.138 28.324 -8.325 80 1HH1 ARG 28 2HH2 ARG 28 -35.881 25.720 -5.971 81 2HH1 ARG 28 1HH2 ARG 28 -35.718 24.481 -7.169 82 1HH2 ARG 28 2HH1 ARG 28 -35.923 26.689 -9.906 83 2HH2 ARG 28 1HH1 ARG 28 -35.742 25.035 -9.423 84 H GLN 29 H GLN 29 -31.802 29.526 -3.544 85 HA GLN 29 HA GLN 29 -30.044 28.735 -5.733 86 2HB GLN 29 2HB GLN 29 -28.887 29.240 -3.024 87 2HG GLN 29 2HG GLN 29 -27.804 30.687 -5.336 88 1HE2 GLN 29 1HE2 GLN 29 -26.485 27.621 -4.964 89 2HE2 GLN 29 2HE2 GLN 29 -25.251 27.959 -3.796 90 H HIS 30 H HIS 30 -30.592 28.053 -2.195 91 HA HIS 30 HA HIS 30 -30.531 26.187 -1.041 92 2HB HIS 30 2HB HIS 30 -31.263 24.284 -3.118 93 HD1 HIS 30 1HD HIS 30 -34.146 25.939 -1.567 94 HD2 HIS 30 2HD HIS 30 -31.371 22.994 -0.461 95 HE1 HIS 30 1HE HIS 30 -35.152 24.727 0.441 96 H MET 31 H MET 31 -29.625 23.739 -1.073 97 HA MET 31 HA MET 31 -27.856 22.481 -1.161 98 2HB MET 31 2HB MET 31 -26.534 22.492 -3.394 99 2HG MET 31 2HG MET 31 -29.514 22.461 -3.953 100 1HE MET 31 1HE MET 31 -29.670 19.329 -4.669 101 2HE MET 31 2HE MET 31 -28.172 18.625 -5.322 102 3HE MET 31 3HE MET 31 -28.245 19.141 -3.620 103 H ASP 32 H ASP 32 -26.049 22.730 0.081 104 HA ASP 32 HA ASP 32 -23.937 24.330 -0.635 105 2HB ASP 32 2HB ASP 32 -25.306 25.533 1.782 106 H SER 33 H SER 33 -22.233 24.307 1.173 107 HA SER 33 HA SER 33 -22.825 22.978 3.572 108 2HB SER 33 2HB SER 33 -21.113 21.038 2.922 109 HG SER 33 HG SER 33 -23.170 20.415 3.537 110 HA PRO 34 HA PRO 34 -19.027 24.928 4.414 111 2HB PRO 34 2HB PRO 34 -19.497 25.052 6.665 112 2HG PRO 34 2HG PRO 34 -21.037 23.507 7.413 113 2HD PRO 34 2HD PRO 34 -22.164 23.074 5.457 114 H ASP 35 H ASP 35 -16.725 24.050 5.711 115 HA ASP 35 HA ASP 35 -15.862 22.135 3.690 116 2HB ASP 35 2HB ASP 35 -13.691 23.148 3.748 117 H LEU 36 H LEU 36 -14.611 20.307 4.435 118 HA LEU 36 HA LEU 36 -13.867 20.193 7.222 119 2HB LEU 36 2HB LEU 36 -15.403 17.822 6.495 120 HG LEU 36 HG LEU 36 -15.539 19.741 8.835 121 1HD1 LEU 36 1HD1 LEU 36 -17.691 18.401 8.058 122 2HD1 LEU 36 2HD1 LEU 36 -16.874 17.072 8.915 123 3HD1 LEU 36 3HD1 LEU 36 -17.262 18.580 9.776 124 1HD2 LEU 36 1HD2 LEU 36 -14.266 17.038 8.425 125 2HD2 LEU 36 2HD2 LEU 36 -13.532 18.548 9.016 126 3HD2 LEU 36 3HD2 LEU 36 -14.676 17.653 10.044 127 H GLY 37 H GLY 37 -11.737 20.161 6.315 128 1HA GLY 37 1HA GLY 37 -10.925 17.494 5.506 129 2HA GLY 37 2HA GLY 37 -10.696 18.742 4.298 130 H THR 38 H THR 38 -10.455 19.016 7.901 131 HA THR 38 HA THR 38 -7.897 20.314 7.608 132 HB THR 38 HB THR 38 -8.193 20.663 10.055 133 HG1 THR 38 1HG THR 38 -10.175 19.589 10.935 134 1HG2 THR 38 1HG2 THR 38 -9.580 22.150 8.591 135 2HG2 THR 38 2HG2 THR 38 -10.858 20.910 8.562 136 3HG2 THR 38 3HG2 THR 38 -10.448 21.732 10.087 137 H THR 39 H THR 39 -7.498 17.913 6.470 138 HA THR 39 HA THR 39 -5.579 16.758 8.285 139 HB THR 39 HB THR 39 -7.652 14.883 7.087 140 HG1 THR 39 1HG THR 39 -8.787 15.221 9.131 141 1HG2 THR 39 1HG2 THR 39 -6.142 13.473 8.132 142 2HG2 THR 39 2HG2 THR 39 -5.461 14.787 9.121 143 3HG2 THR 39 3HG2 THR 39 -6.980 13.999 9.613 144 H LEU 40 H LEU 40 -5.870 14.283 6.345 145 HA LEU 40 HA LEU 40 -4.380 15.590 4.175 146 2HB LEU 40 2HB LEU 40 -2.699 14.346 4.910 147 HG LEU 40 HG LEU 40 -4.721 12.688 6.403 148 1HD1 LEU 40 1HD1 LEU 40 -2.850 11.318 5.170 149 2HD1 LEU 40 2HD1 LEU 40 -1.822 11.940 6.484 150 3HD1 LEU 40 3HD1 LEU 40 -3.266 10.972 6.867 151 1HD2 LEU 40 1HD2 LEU 40 -2.375 14.431 7.161 152 2HD2 LEU 40 2HD2 LEU 40 -4.089 14.602 7.612 153 3HD2 LEU 40 3HD2 LEU 40 -3.117 13.279 8.298 154 H LEU 41 H LEU 41 -6.479 12.759 5.039 155 HA LEU 41 HA LEU 41 -8.057 11.715 3.902 156 2HB LEU 41 2HB LEU 41 -9.125 13.024 1.953 157 HG LEU 41 HG LEU 41 -9.409 13.365 4.781 158 1HD1 LEU 41 1HD1 LEU 41 -10.380 15.692 4.743 159 2HD1 LEU 41 2HD1 LEU 41 -8.604 15.595 4.658 160 3HD1 LEU 41 3HD1 LEU 41 -9.548 15.931 3.187 161 1HD2 LEU 41 1HD2 LEU 41 -11.158 12.392 3.558 162 2HD2 LEU 41 2HD2 LEU 41 -11.773 13.992 4.038 163 3HD2 LEU 41 3HD2 LEU 41 -11.195 13.722 2.376 164 H GLU 42 H GLU 42 -6.191 10.242 3.426 165 HA GLU 42 HA GLU 42 -5.087 8.955 2.071 166 2HB GLU 42 2HB GLU 42 -5.914 8.800 -0.368 167 2HG GLU 42 2HG GLU 42 -7.375 8.239 2.149 168 H GLN 43 H GLN 43 -3.736 11.251 2.692 169 HA GLN 43 HA GLN 43 -2.171 12.638 2.089 170 2HB GLN 43 2HB GLN 43 -0.772 11.781 -0.009 171 2HG GLN 43 2HG GLN 43 0.297 10.076 1.439 172 1HE2 GLN 43 1HE2 GLN 43 -0.909 11.196 4.264 173 2HE2 GLN 43 2HE2 GLN 43 0.047 12.618 4.511 174 H TYR 44 H TYR 44 -2.385 11.782 -1.352 175 HA TYR 44 HA TYR 44 -4.301 13.656 -2.135 176 2HB TYR 44 2HB TYR 44 -2.039 14.992 -3.166 177 HD1 TYR 44 1HD TYR 44 -4.594 15.994 -3.112 178 HD2 TYR 44 2HD TYR 44 -1.757 16.132 0.088 179 HE1 TYR 44 1HE TYR 44 -5.798 18.001 -2.120 180 HE2 TYR 44 2HE TYR 44 -2.971 18.138 1.069 181 HH TYR 44 HH TYR 44 -5.477 19.767 -0.695 182 H CYS 45 H CYS 45 -4.633 11.584 -3.318 183 HA CYS 45 HA CYS 45 -3.065 11.650 -5.771 184 2HB CYS 45 2HB CYS 45 -2.069 9.893 -4.396 185 H HIS 46 H HIS 46 -5.130 12.881 -6.308 186 HA HIS 46 HA HIS 46 -7.646 11.944 -6.091 187 2HB HIS 46 2HB HIS 46 -6.491 13.331 -8.525 188 HD1 HIS 46 1HD HIS 46 -9.189 15.149 -7.005 189 HD2 HIS 46 2HD HIS 46 -8.941 11.891 -9.636 190 HE1 HIS 46 1HE HIS 46 -11.462 14.980 -8.149 191 H ARG 47 H ARG 47 -9.116 10.901 -7.732 192 HA ARG 47 HA ARG 47 -7.869 8.496 -8.576 193 2HB ARG 47 2HB ARG 47 -10.721 9.565 -8.651 194 2HG ARG 47 2HG ARG 47 -9.585 7.515 -10.361 195 2HD ARG 47 2HD ARG 47 -10.397 6.295 -8.043 196 HE ARG 47 HE ARG 47 -12.742 6.653 -8.067 197 1HH1 ARG 47 2HH2 ARG 47 -11.635 5.443 -11.180 198 2HH1 ARG 47 1HH2 ARG 47 -13.231 5.098 -11.757 199 1HH2 ARG 47 2HH1 ARG 47 -14.847 6.198 -8.827 200 2HH2 ARG 47 1HH1 ARG 47 -15.070 5.531 -10.410 201 H THR 48 H THR 48 -10.436 10.094 -10.502 202 HA THR 48 HA THR 48 -8.826 11.171 -12.515 203 HB THR 48 HB THR 48 -8.252 8.672 -12.738 204 HG1 THR 48 1HG THR 48 -8.435 8.973 -15.044 205 1HG2 THR 48 1HG2 THR 48 -9.984 7.379 -14.071 206 2HG2 THR 48 2HG2 THR 48 -10.467 7.651 -12.381 207 3HG2 THR 48 3HG2 THR 48 -11.168 8.647 -13.678 208 H THR 49 H THR 49 -11.885 9.485 -11.669 209 HA THR 49 HA THR 49 -13.976 9.838 -12.454 210 HB THR 49 HB THR 49 -14.795 11.896 -11.521 211 HG1 THR 49 1HG THR 49 -12.045 12.843 -11.907 212 1HG2 THR 49 1HG2 THR 49 -13.755 12.015 -9.428 213 2HG2 THR 49 2HG2 THR 49 -13.075 10.469 -9.988 214 3HG2 THR 49 3HG2 THR 49 -12.119 11.963 -10.129 215 H ILE 50 H ILE 50 -13.917 9.241 -14.630 216 HA ILE 50 HA ILE 50 -12.951 10.916 -16.646 217 HB ILE 50 HB ILE 50 -13.718 8.352 -16.493 218 2HG1 ILE 50 2HG1 ILE 50 -12.278 9.576 -18.195 219 1HG2 ILE 50 1HG2 ILE 50 -16.003 9.761 -17.898 220 2HG2 ILE 50 2HG2 ILE 50 -15.690 8.009 -17.939 221 3HG2 ILE 50 3HG2 ILE 50 -16.094 8.805 -16.399 222 1HD1 ILE 50 1HD1 ILE 50 -14.192 7.393 -19.139 223 2HD1 ILE 50 2HD1 ILE 50 -12.680 7.846 -19.961 224 3HD1 ILE 50 3HD1 ILE 50 -12.628 7.143 -18.327 225 H GLY 51 H GLY 51 -15.860 10.996 -14.708 226 1HA GLY 51 1HA GLY 51 -16.907 13.242 -14.806 227 2HA GLY 51 2HA GLY 51 -16.996 13.023 -16.541 228 H ASN 52 H ASN 52 -18.978 13.125 -14.027 229 HA ASN 52 HA ASN 52 -20.954 12.364 -13.568 230 2HB ASN 52 2HB ASN 52 -20.858 10.930 -16.275 231 1HD2 ASN 52 1HD2 ASN 52 -23.403 12.776 -16.374 232 2HD2 ASN 52 2HD2 ASN 52 -24.646 11.789 -15.683 233 H PHE 53 H PHE 53 -21.130 10.794 -11.963 234 HA PHE 53 HA PHE 53 -21.007 8.870 -10.896 235 2HB PHE 53 2HB PHE 53 -20.854 7.659 -13.720 236 HD1 PHE 53 1HD PHE 53 -23.479 6.965 -11.293 237 HD2 PHE 53 2HD PHE 53 -19.760 5.643 -12.852 238 HE1 PHE 53 1HE PHE 53 -23.832 4.719 -10.230 239 HE2 PHE 53 2HE PHE 53 -20.114 3.397 -11.789 240 HZ PHE 53 HZ PHE 53 -22.145 2.961 -10.490 241 H SER 54 H SER 54 -18.960 9.092 -9.928 242 HA SER 54 HA SER 54 -16.556 9.029 -10.981 243 2HB SER 54 2HB SER 54 -16.866 9.242 -8.591 244 HG SER 54 HG SER 54 -17.626 7.600 -7.288 245 H GLY 55 H GLY 55 -15.763 7.756 -12.625 246 1HA GLY 55 1HA GLY 55 -15.247 5.938 -13.842 247 2HA GLY 55 2HA GLY 55 -15.091 5.101 -12.310 248 HA PRO 56 HA PRO 56 -19.330 4.268 -14.328 249 2HB PRO 56 2HB PRO 56 -19.790 5.475 -16.233 250 2HG PRO 56 2HG PRO 56 -17.961 6.514 -17.181 251 2HD PRO 56 2HD PRO 56 -16.591 6.683 -15.343 252 H TYR 57 H TYR 57 -17.095 2.963 -16.729 253 HA TYR 57 HA TYR 57 -18.029 0.384 -16.562 254 2HB TYR 57 2HB TYR 57 -16.524 0.995 -18.340 255 HD1 TYR 57 1HD TYR 57 -14.548 1.602 -15.196 256 HD2 TYR 57 2HD TYR 57 -15.335 2.766 -19.238 257 HE1 TYR 57 1HE TYR 57 -12.874 3.502 -14.982 258 HE2 TYR 57 2HE TYR 57 -13.658 4.663 -19.010 259 HH TYR 57 HH TYR 57 -11.536 4.877 -16.306 260 H THR 58 H THR 58 -16.023 -1.400 -16.008 261 HA THR 58 HA THR 58 -15.917 -1.220 -13.100 262 HB THR 58 HB THR 58 -16.861 -3.260 -14.105 263 HG1 THR 58 1HG THR 58 -14.063 -3.642 -13.309 264 1HG2 THR 58 1HG2 THR 58 -14.447 -4.427 -15.191 265 2HG2 THR 58 2HG2 THR 58 -16.002 -4.168 -16.015 266 3HG2 THR 58 3HG2 THR 58 -14.756 -2.897 -16.046 267 H TYR 59 H TYR 59 -14.305 0.326 -12.724 268 HA TYR 59 HA TYR 59 -11.630 -0.565 -13.572 269 2HB TYR 59 2HB TYR 59 -11.827 2.215 -12.691 270 HD1 TYR 59 1HD TYR 59 -9.702 2.749 -13.517 271 HD2 TYR 59 2HD TYR 59 -12.516 0.818 -16.095 272 HE1 TYR 59 1HE TYR 59 -8.121 3.056 -15.484 273 HE2 TYR 59 2HE TYR 59 -10.926 1.132 -18.054 274 HH TYR 59 HH TYR 59 -8.661 1.475 -18.494 275 H CYS 60 H CYS 60 -9.890 0.501 -12.009 276 HA CYS 60 HA CYS 60 -10.655 -0.403 -9.379 277 2HB CYS 60 2HB CYS 60 -8.218 -0.067 -8.883 278 H ASN 61 H ASN 61 -10.390 0.964 -7.460 279 HA ASN 61 HA ASN 61 -10.684 3.770 -8.154 280 2HB ASN 61 2HB ASN 61 -11.444 2.249 -5.604 281 1HD2 ASN 61 1HD2 ASN 61 -13.294 4.768 -7.042 282 2HD2 ASN 61 2HD2 ASN 61 -12.982 6.025 -5.892 283 H THR 62 H THR 62 -9.682 5.345 -6.493 284 HA THR 62 HA THR 62 -6.979 4.590 -5.986 285 HB THR 62 HB THR 62 -8.735 7.039 -5.563 286 HG1 THR 62 1HG THR 62 -6.869 7.733 -7.031 287 1HG2 THR 62 1HG2 THR 62 -6.937 8.251 -4.584 288 2HG2 THR 62 2HG2 THR 62 -6.894 6.713 -3.690 289 3HG2 THR 62 3HG2 THR 62 -5.743 7.004 -5.018 290 H THR 63 H THR 63 -6.137 3.563 -4.293 291 HA THR 63 HA THR 63 -7.394 3.943 -1.690 292 HB THR 63 HB THR 63 -7.320 1.390 -3.305 293 HG1 THR 63 1HG THR 63 -9.352 1.291 -1.968 294 1HG2 THR 63 1HG2 THR 63 -6.792 1.657 -0.327 295 2HG2 THR 63 2HG2 THR 63 -7.799 0.316 -0.921 296 3HG2 THR 63 3HG2 THR 63 -6.116 0.479 -1.477 297 H LEU 64 H LEU 64 -6.009 3.420 0.102 298 HA LEU 64 HA LEU 64 -3.193 3.301 -0.732 299 2HB LEU 64 2HB LEU 64 -3.627 5.477 0.080 300 HG LEU 64 HG LEU 64 -5.708 4.755 1.497 301 1HD1 LEU 64 1HD1 LEU 64 -3.670 3.588 3.040 302 2HD1 LEU 64 2HD1 LEU 64 -4.228 5.005 3.961 303 3HD1 LEU 64 3HD1 LEU 64 -5.393 3.759 3.454 304 1HD2 LEU 64 1HD2 LEU 64 -3.795 6.909 2.438 305 2HD2 LEU 64 2HD2 LEU 64 -4.997 7.061 1.134 306 3HD2 LEU 64 3HD2 LEU 64 -5.533 6.813 2.813 307 H ASP 65 H ASP 65 -1.899 1.748 0.194 308 HA ASP 65 HA ASP 65 -3.325 -0.132 1.860 309 2HB ASP 65 2HB ASP 65 -0.492 -0.465 0.815 310 H GLN 66 H GLN 66 -1.405 -1.321 3.407 311 HA GLN 66 HA GLN 66 -0.916 0.587 5.372 312 2HB GLN 66 2HB GLN 66 0.671 -1.451 6.171 313 2HG GLN 66 2HG GLN 66 -2.359 -1.248 6.089 314 1HE2 GLN 66 1HE2 GLN 66 -3.439 -2.546 7.753 315 2HE2 GLN 66 2HE2 GLN 66 -2.971 -4.198 7.981 316 H ILE 67 H ILE 67 0.702 -0.040 2.437 317 HA ILE 67 HA ILE 67 3.259 0.898 3.510 318 HB ILE 67 HB ILE 67 2.770 -0.146 0.736 319 2HG1 ILE 67 2HG1 ILE 67 1.888 -1.787 2.397 320 1HG2 ILE 67 1HG2 ILE 67 5.246 -0.923 1.370 321 2HG2 ILE 67 2HG2 ILE 67 4.883 0.679 0.685 322 3HG2 ILE 67 3HG2 ILE 67 5.123 0.495 2.439 323 1HD1 ILE 67 1HD1 ILE 67 2.833 -3.612 1.296 324 2HD1 ILE 67 2HD1 ILE 67 3.284 -2.303 0.179 325 3HD1 ILE 67 3HD1 ILE 67 4.475 -2.924 1.347 326 H GLY 68 H GLY 68 1.063 2.718 3.455 327 1HA GLY 68 1HA GLY 68 0.315 4.637 2.474 328 2HA GLY 68 2HA GLY 68 2.027 5.006 2.532 329 H THR 69 H THR 69 0.443 2.491 0.487 330 HA THR 69 HA THR 69 1.642 3.743 -1.849 331 HB THR 69 HB THR 69 0.573 1.493 -2.812 332 HG1 THR 69 1HG THR 69 -0.629 0.779 -1.048 333 1HG2 THR 69 1HG2 THR 69 2.464 0.268 -1.193 334 2HG2 THR 69 2HG2 THR 69 2.846 1.113 -2.713 335 3HG2 THR 69 3HG2 THR 69 3.007 1.963 -1.158 336 H CYS 70 H CYS 70 0.467 5.604 -2.265 337 HA CYS 70 HA CYS 70 -2.395 5.405 -2.391 338 2HB CYS 70 2HB CYS 70 -0.981 7.792 -3.454 339 H TRP 71 H TRP 71 -2.885 3.951 -4.098 340 HA TRP 71 HA TRP 71 -1.600 4.369 -6.662 341 2HB TRP 71 2HB TRP 71 -2.885 2.380 -7.334 342 HD1 TRP 71 HD TRP 71 -2.498 0.638 -4.162 343 HE1 TRP 71 1HE TRP 71 -0.115 -0.432 -3.785 344 HE3 TRP 71 3HE TRP 71 -0.164 3.246 -7.851 345 HZ2 TRP 71 2HZ TRP 71 2.422 -0.075 -5.044 346 HZ3 TRP 71 3HZ TRP 71 2.266 2.825 -8.212 347 HH2 TRP 71 HH TRP 71 3.554 1.231 -6.880 348 HA PRO 72 HA PRO 72 -4.966 7.041 -7.638 349 2HB PRO 72 2HB PRO 72 -3.574 8.730 -8.355 350 2HG PRO 72 2HG PRO 72 -1.389 8.087 -8.720 351 2HD PRO 72 2HD PRO 72 -1.271 6.245 -7.351 352 H GLN 73 H GLN 73 -6.349 5.166 -7.827 353 HA GLN 73 HA GLN 73 -7.625 3.816 -8.957 354 2HB GLN 73 2HB GLN 73 -8.040 6.250 -10.020 355 2HG GLN 73 2HG GLN 73 -6.271 5.193 -11.899 356 1HE2 GLN 73 1HE2 GLN 73 -9.618 5.949 -12.799 357 2HE2 GLN 73 2HE2 GLN 73 -9.857 4.638 -13.906 358 H SER 74 H SER 74 -7.872 2.426 -11.094 359 HA SER 74 HA SER 74 -5.595 2.147 -12.692 360 2HB SER 74 2HB SER 74 -4.908 -0.143 -11.884 361 HG SER 74 HG SER 74 -3.982 2.057 -11.067 362 H ALA 75 H ALA 75 -5.819 -0.478 -13.577 363 HA ALA 75 HA ALA 75 -8.686 -0.706 -14.199 364 1HB ALA 75 1HB ALA 75 -8.211 -0.765 -16.412 365 2HB ALA 75 2HB ALA 75 -6.657 -0.030 -15.951 366 3HB ALA 75 3HB ALA 75 -6.779 -1.793 -16.169 367 HA PRO 76 HA PRO 76 -8.333 -4.804 -12.868 368 2HB PRO 76 2HB PRO 76 -10.613 -5.116 -12.929 369 2HG PRO 76 2HG PRO 76 -11.739 -3.709 -14.368 370 2HD PRO 76 2HD PRO 76 -10.254 -1.958 -14.474 371 H GLY 77 H GLY 77 -7.294 -6.772 -13.113 372 1HA GLY 77 1HA GLY 77 -5.880 -8.193 -14.125 373 2HA GLY 77 2HA GLY 77 -6.823 -7.959 -15.584 374 H ALA 78 H ALA 78 -4.735 -5.703 -13.639 375 HA ALA 78 HA ALA 78 -3.119 -5.338 -16.066 376 1HB ALA 78 1HB ALA 78 -4.812 -3.466 -15.445 377 2HB ALA 78 2HB ALA 78 -3.710 -3.123 -14.090 378 3HB ALA 78 3HB ALA 78 -3.124 -2.999 -15.766 379 H LEU 79 H LEU 79 -1.271 -3.522 -14.781 380 HA LEU 79 HA LEU 79 -0.268 -5.044 -12.515 381 2HB LEU 79 2HB LEU 79 1.989 -4.561 -14.099 382 HG LEU 79 HG LEU 79 2.220 -6.968 -14.288 383 1HD1 LEU 79 1HD1 LEU 79 2.082 -7.582 -11.885 384 2HD1 LEU 79 2HD1 LEU 79 2.856 -6.005 -12.175 385 3HD1 LEU 79 3HD1 LEU 79 1.177 -6.078 -11.587 386 1HD2 LEU 79 1HD2 LEU 79 -0.429 -7.130 -14.639 387 2HD2 LEU 79 2HD2 LEU 79 0.567 -8.508 -14.111 388 3HD2 LEU 79 3HD2 LEU 79 -0.348 -7.560 -12.914 389 H VAL 80 H VAL 80 -0.136 -3.514 -10.964 390 HA VAL 80 HA VAL 80 0.797 -0.861 -11.813 391 HB VAL 80 HB VAL 80 -0.998 -1.766 -9.560 392 1HG1 VAL 80 1HG1 VAL 80 -1.005 0.998 -9.499 393 2HG1 VAL 80 2HG1 VAL 80 -0.155 -0.070 -8.356 394 3HG1 VAL 80 3HG1 VAL 80 0.712 0.609 -9.754 395 1HG2 VAL 80 1HG2 VAL 80 -2.671 -1.224 -10.929 396 2HG2 VAL 80 2HG2 VAL 80 -2.010 0.417 -11.127 397 3HG2 VAL 80 3HG2 VAL 80 -1.490 -0.889 -12.218 398 H GLU 81 H GLU 81 2.798 -2.694 -11.635 399 HA GLU 81 HA GLU 81 3.819 -2.412 -8.929 400 2HB GLU 81 2HB GLU 81 3.739 -4.710 -9.882 401 2HG GLU 81 2HG GLU 81 4.372 -3.649 -12.280 402 H ARG 82 H ARG 82 6.249 -1.951 -8.749 403 HA ARG 82 HA ARG 82 7.558 -0.808 -10.924 404 2HB ARG 82 2HB ARG 82 6.118 1.113 -10.718 405 2HG ARG 82 2HG ARG 82 6.764 1.404 -7.771 406 2HD ARG 82 2HD ARG 82 5.701 3.301 -9.014 407 HE ARG 82 HE ARG 82 3.248 1.681 -9.440 408 1HH1 ARG 82 2HH2 ARG 82 6.028 3.324 -10.839 409 2HH1 ARG 82 1HH2 ARG 82 5.367 3.352 -12.440 410 1HH2 ARG 82 2HH1 ARG 82 2.376 1.717 -11.552 411 2HH2 ARG 82 1HH1 ARG 82 3.276 2.430 -12.849 412 HA PRO 83 HA PRO 83 9.899 -1.920 -7.135 413 2HB PRO 83 2HB PRO 83 9.718 -4.216 -7.167 414 2HG PRO 83 2HG PRO 83 8.769 -5.080 -9.082 415 2HD PRO 83 2HD PRO 83 7.551 -3.264 -9.791 416 H CYS 84 H CYS 84 11.745 -0.912 -6.606 417 HA CYS 84 HA CYS 84 13.693 0.059 -6.895 418 2HB CYS 84 2HB CYS 84 15.278 -0.696 -8.529 419 HA PRO 85 HA PRO 85 12.078 3.279 -9.456 420 2HB PRO 85 2HB PRO 85 11.793 4.716 -7.679 421 2HG PRO 85 2HG PRO 85 12.889 4.090 -5.749 422 2HD PRO 85 2HD PRO 85 13.071 1.825 -6.099 423 H GLU 86 H GLU 86 13.387 5.554 -10.233 424 HA GLU 86 HA GLU 86 14.734 6.213 -11.808 425 2HB GLU 86 2HB GLU 86 17.185 5.143 -11.603 426 2HG GLU 86 2HG GLU 86 15.935 6.808 -9.367 427 H TYR 87 H TYR 87 16.665 5.155 -13.478 428 HA TYR 87 HA TYR 87 15.279 2.844 -14.665 429 2HB TYR 87 2HB TYR 87 14.967 4.613 -16.218 430 HD1 TYR 87 1HD TYR 87 14.822 6.653 -14.754 431 HD2 TYR 87 2HD TYR 87 18.496 5.401 -16.553 432 HE1 TYR 87 1HE TYR 87 15.812 8.960 -14.353 433 HE2 TYR 87 2HE TYR 87 19.474 7.711 -16.145 434 HH TYR 87 HH TYR 87 18.757 9.650 -14.184 435 H PHE 88 H PHE 88 16.519 1.075 -14.189 436 HA PHE 88 HA PHE 88 19.411 1.390 -14.579 437 2HB PHE 88 2HB PHE 88 18.943 0.780 -12.282 438 HD1 PHE 88 1HD PHE 88 16.500 1.334 -11.944 439 HD2 PHE 88 2HD PHE 88 17.818 -2.522 -13.127 440 HE1 PHE 88 1HE PHE 88 14.308 0.359 -11.207 441 HE2 PHE 88 2HE PHE 88 15.626 -3.498 -12.389 442 HZ PHE 88 HZ PHE 88 13.898 -2.045 -11.438 443 H ASN 89 H ASN 89 16.458 -0.215 -15.574 444 HA ASN 89 HA ASN 89 18.073 -2.103 -17.097 445 2HB ASN 89 2HB ASN 89 16.582 -3.510 -15.984 446 1HD2 ASN 89 1HD2 ASN 89 14.997 -3.807 -14.525 447 2HD2 ASN 89 2HD2 ASN 89 13.926 -2.573 -13.949 448 H GLY 90 H GLY 90 14.824 -0.432 -17.245 449 1HA GLY 90 1HA GLY 90 15.360 1.077 -19.544 450 2HA GLY 90 2HA GLY 90 14.635 -0.438 -20.048 451 H ILE 91 H ILE 91 14.015 1.267 -16.935 452 HA ILE 91 HA ILE 91 11.389 2.050 -17.942 453 HB ILE 91 HB ILE 91 11.908 0.334 -15.517 454 2HG1 ILE 91 2HG1 ILE 91 10.501 -1.280 -16.571 455 1HG2 ILE 91 1HG2 ILE 91 10.352 1.775 -14.632 456 2HG2 ILE 91 2HG2 ILE 91 9.587 2.099 -16.207 457 3HG2 ILE 91 3HG2 ILE 91 9.299 0.549 -15.379 458 1HD1 ILE 91 1HD1 ILE 91 10.195 0.573 -18.963 459 2HD1 ILE 91 2HD1 ILE 91 9.318 -0.938 -18.617 460 3HD1 ILE 91 3HD1 ILE 91 8.989 0.523 -17.655 461 H LYS 92 H LYS 92 10.438 3.831 -16.770 462 HA LYS 92 HA LYS 92 12.447 5.261 -15.173 463 2HB LYS 92 2HB LYS 92 12.009 6.318 -17.337 464 2HG LYS 92 2HG LYS 92 9.270 7.184 -16.605 465 2HD LYS 92 2HD LYS 92 9.052 6.307 -19.121 466 2HE LYS 92 2HE LYS 92 10.576 8.528 -19.668 467 1HZ LYS 92 1HZ LYS 92 8.061 8.041 -19.722 468 2HZ LYS 92 2HZ LYS 92 8.022 8.897 -18.332 469 3HZ LYS 92 3HZ LYS 92 8.582 9.588 -19.702 470 H TYR 93 H TYR 93 11.975 4.963 -13.053 471 HA TYR 93 HA TYR 93 9.155 5.327 -12.296 472 2HB TYR 93 2HB TYR 93 10.040 3.734 -10.344 473 HD1 TYR 93 1HD TYR 93 11.083 1.158 -12.029 474 HD2 TYR 93 2HD TYR 93 7.770 3.853 -12.288 475 HE1 TYR 93 1HE TYR 93 9.704 -0.635 -13.190 476 HE2 TYR 93 2HE TYR 93 6.404 2.051 -13.449 477 HH TYR 93 HH TYR 93 6.305 -0.223 -13.739 478 H ASN 94 H ASN 94 9.829 7.650 -12.102 479 HA ASN 94 HA ASN 94 11.850 8.483 -10.473 480 2HB ASN 94 2HB ASN 94 10.083 10.494 -10.088 481 1HD2 ASN 94 1HD2 ASN 94 11.480 8.568 -12.688 482 2HD2 ASN 94 2HD2 ASN 94 12.275 9.854 -13.534 483 H THR 95 H THR 95 8.645 7.141 -9.756 484 HA THR 95 HA THR 95 8.187 8.130 -7.211 485 HB THR 95 HB THR 95 6.864 5.930 -7.016 486 HG1 THR 95 1HG THR 95 6.985 4.823 -9.243 487 1HG2 THR 95 1HG2 THR 95 5.227 6.608 -8.549 488 2HG2 THR 95 2HG2 THR 95 6.187 8.105 -8.474 489 3HG2 THR 95 3HG2 THR 95 6.423 6.963 -9.819 490 H THR 96 H THR 96 9.719 8.294 -5.671 491 HA THR 96 HA THR 96 11.899 6.660 -5.348 492 HB THR 96 HB THR 96 10.229 8.315 -3.393 493 HG1 THR 96 1HG THR 96 11.569 9.849 -4.283 494 1HG2 THR 96 1HG2 THR 96 11.598 7.664 -1.687 495 2HG2 THR 96 2HG2 THR 96 12.329 6.443 -2.756 496 3HG2 THR 96 3HG2 THR 96 13.023 8.080 -2.669 497 H ARG 97 H ARG 97 8.966 6.462 -3.220 498 HA ARG 97 HA ARG 97 9.716 4.027 -2.189 499 2HB ARG 97 2HB ARG 97 8.075 5.244 -0.967 500 2HG ARG 97 2HG ARG 97 6.693 5.485 -3.654 501 2HD ARG 97 2HD ARG 97 5.369 5.041 -1.098 502 HE ARG 97 HE ARG 97 4.928 7.284 -0.608 503 1HH1 ARG 97 2HH2 ARG 97 4.809 6.834 -4.095 504 2HH1 ARG 97 1HH2 ARG 97 4.241 8.438 -4.412 505 1HH2 ARG 97 2HH1 ARG 97 4.178 9.402 -1.024 506 2HH2 ARG 97 1HH1 ARG 97 3.879 9.910 -2.653 507 H ASN 98 H ASN 98 9.827 2.040 -3.188 508 HA ASN 98 HA ASN 98 8.345 1.718 -5.638 509 2HB ASN 98 2HB ASN 98 10.614 0.987 -5.853 510 1HD2 ASN 98 1HD2 ASN 98 12.493 0.080 -5.086 511 2HD2 ASN 98 2HD2 ASN 98 12.765 -0.297 -3.418 512 H ALA 99 H ALA 99 7.268 -0.546 -5.962 513 HA ALA 99 HA ALA 99 6.668 -2.228 -3.854 514 1HB ALA 99 1HB ALA 99 5.422 0.199 -3.426 515 2HB ALA 99 2HB ALA 99 4.159 -0.730 -4.269 516 3HB ALA 99 3HB ALA 99 4.877 -1.364 -2.768 517 H TYR 100 H TYR 100 4.602 -3.599 -4.448 518 HA TYR 100 HA TYR 100 4.239 -3.569 -7.360 519 2HB TYR 100 2HB TYR 100 4.411 -6.161 -5.799 520 HD1 TYR 100 1HD TYR 100 7.211 -5.638 -7.908 521 HD2 TYR 100 2HD TYR 100 3.039 -6.583 -8.009 522 HE1 TYR 100 1HE TYR 100 7.488 -6.648 -10.224 523 HE2 TYR 100 2HE TYR 100 3.331 -7.589 -10.325 524 HH TYR 100 HH TYR 100 6.117 -8.532 -11.541 525 H ARG 101 H ARG 101 2.095 -3.135 -7.609 526 HA ARG 101 HA ARG 101 0.313 -4.727 -5.952 527 2HB ARG 101 2HB ARG 101 -0.918 -2.219 -6.837 528 2HG ARG 101 2HG ARG 101 -0.458 -2.390 -3.981 529 2HD ARG 101 2HD ARG 101 -3.034 -3.302 -5.234 530 HE ARG 101 HE ARG 101 -3.094 -1.059 -3.428 531 1HH1 ARG 101 2HH2 ARG 101 -2.469 -4.521 -3.490 532 2HH1 ARG 101 1HH2 ARG 101 -2.917 -4.761 -1.834 533 1HH2 ARG 101 2HH1 ARG 101 -3.684 -1.375 -1.243 534 2HH2 ARG 101 1HH1 ARG 101 -3.612 -2.959 -0.546 535 H GLU 102 H GLU 102 -1.372 -5.752 -7.087 536 HA GLU 102 HA GLU 102 -1.536 -5.049 -9.914 537 2HB GLU 102 2HB GLU 102 -0.564 -7.178 -9.981 538 2HG GLU 102 2HG GLU 102 -2.401 -8.008 -7.683 539 H CYS 103 H CYS 103 -3.680 -5.341 -10.929 540 HA CYS 103 HA CYS 103 -5.798 -5.134 -8.916 541 2HB CYS 103 2HB CYS 103 -6.663 -4.131 -11.437 542 H LEU 104 H LEU 104 -6.982 -7.012 -8.826 543 HA LEU 104 HA LEU 104 -6.766 -9.079 -10.627 544 2HB LEU 104 2HB LEU 104 -9.162 -9.584 -9.572 545 HG LEU 104 HG LEU 104 -6.433 -9.912 -8.504 546 1HD1 LEU 104 1HD1 LEU 104 -7.891 -10.889 -6.370 547 2HD1 LEU 104 2HD1 LEU 104 -6.890 -9.416 -6.379 548 3HD1 LEU 104 3HD1 LEU 104 -8.640 -9.305 -6.688 549 1HD2 LEU 104 1HD2 LEU 104 -8.066 -12.132 -7.936 550 2HD2 LEU 104 2HD2 LEU 104 -8.606 -11.511 -9.514 551 3HD2 LEU 104 3HD2 LEU 104 -6.897 -11.942 -9.266 552 H GLU 105 H GLU 105 -8.787 -10.011 -11.875 553 HA GLU 105 HA GLU 105 -9.348 -8.047 -13.848 554 2HB GLU 105 2HB GLU 105 -10.790 -10.154 -14.698 555 2HG GLU 105 2HG GLU 105 -7.755 -9.875 -14.629 556 H ASN 106 H ASN 106 -10.640 -8.497 -10.856 557 HA ASN 106 HA ASN 106 -13.389 -8.230 -11.711 558 2HB ASN 106 2HB ASN 106 -12.362 -8.247 -8.836 559 1HD2 ASN 106 1HD2 ASN 106 -14.669 -10.152 -10.729 560 2HD2 ASN 106 2HD2 ASN 106 -16.107 -9.664 -9.896 561 H GLY 107 H GLY 107 -10.687 -6.298 -11.256 562 1HA GLY 107 1HA GLY 107 -10.544 -4.025 -11.259 563 2HA GLY 107 2HA GLY 107 -12.262 -3.900 -10.943 564 H THR 108 H THR 108 -10.053 -5.936 -8.993 565 HA THR 108 HA THR 108 -10.471 -4.057 -6.760 566 HB THR 108 HB THR 108 -10.442 -6.087 -5.331 567 HG1 THR 108 1HG THR 108 -8.959 -7.258 -6.794 568 1HG2 THR 108 1HG2 THR 108 -12.691 -5.972 -5.939 569 2HG2 THR 108 2HG2 THR 108 -12.320 -5.941 -7.680 570 3HG2 THR 108 3HG2 THR 108 -12.273 -7.479 -6.786 571 H TRP 109 H TRP 109 -8.707 -4.497 -4.963 572 HA TRP 109 HA TRP 109 -6.163 -4.221 -6.384 573 2HB TRP 109 2HB TRP 109 -5.568 -3.403 -3.924 574 HD1 TRP 109 HD TRP 109 -7.648 -0.574 -4.314 575 HE1 TRP 109 1HE TRP 109 -6.805 1.271 -6.002 576 HE3 TRP 109 3HE TRP 109 -4.320 -3.561 -6.734 577 HZ2 TRP 109 2HZ TRP 109 -4.885 1.274 -8.113 578 HZ3 TRP 109 3HZ TRP 109 -3.001 -2.559 -8.597 579 HH2 TRP 109 HH TRP 109 -3.241 -0.229 -9.296 580 H ALA 110 H ALA 110 -4.321 -4.914 -4.500 581 HA ALA 110 HA ALA 110 -4.842 -7.764 -4.199 582 1HB ALA 110 1HB ALA 110 -2.740 -6.547 -5.277 583 2HB ALA 110 2HB ALA 110 -2.211 -6.447 -3.581 584 3HB ALA 110 3HB ALA 110 -2.543 -8.033 -4.318 585 H SER 111 H SER 111 -2.825 -8.064 -2.062 586 HA SER 111 HA SER 111 -4.472 -7.024 0.106 587 2HB SER 111 2HB SER 111 -4.300 -9.561 -0.245 588 HG SER 111 HG SER 111 -2.119 -9.917 -0.628 589 H ARG 112 H ARG 112 -1.104 -7.763 -0.988 590 HA ARG 112 HA ARG 112 -0.242 -5.602 0.737 591 2HB ARG 112 2HB ARG 112 0.368 -7.563 2.020 592 2HG ARG 112 2HG ARG 112 2.131 -8.924 0.148 593 2HD ARG 112 2HD ARG 112 0.563 -10.856 0.730 594 HE ARG 112 HE ARG 112 2.341 -9.503 2.466 595 1HH1 ARG 112 2HH2 ARG 112 -0.448 -11.632 2.741 596 2HH1 ARG 112 1HH2 ARG 112 0.055 -12.306 4.255 597 1HH2 ARG 112 2HH1 ARG 112 3.004 -10.393 4.464 598 2HH2 ARG 112 1HH1 ARG 112 2.032 -11.596 5.242 599 H VAL 113 H VAL 113 1.250 -4.229 -0.275 600 HA VAL 113 HA VAL 113 1.943 -4.950 -3.011 601 HB VAL 113 HB VAL 113 2.627 -2.295 -1.903 602 1HG1 VAL 113 1HG1 VAL 113 1.358 -3.368 -4.434 603 2HG1 VAL 113 2HG1 VAL 113 1.463 -1.627 -4.077 604 3HG1 VAL 113 3HG1 VAL 113 2.949 -2.595 -4.230 605 1HG2 VAL 113 1HG2 VAL 113 -0.206 -3.334 -1.996 606 2HG2 VAL 113 2HG2 VAL 113 0.609 -2.398 -0.720 607 3HG2 VAL 113 3HG2 VAL 113 0.155 -1.609 -2.250 608 H ASN 114 H ASN 114 3.485 -6.627 -2.120 609 HA ASN 114 HA ASN 114 5.840 -5.440 -0.945 610 2HB ASN 114 2HB ASN 114 6.343 -8.181 -1.354 611 1HD2 ASN 114 1HD2 ASN 114 4.321 -6.045 0.648 612 2HD2 ASN 114 2HD2 ASN 114 5.095 -6.363 2.164 613 H TYR 115 H TYR 115 7.996 -6.669 -1.908 614 HA TYR 115 HA TYR 115 7.865 -7.250 -4.705 615 2HB TYR 115 2HB TYR 115 7.864 -4.856 -4.981 616 HD1 TYR 115 1HD TYR 115 6.869 -4.005 -2.796 617 HD2 TYR 115 2HD TYR 115 11.086 -4.347 -3.438 618 HE1 TYR 115 1HE TYR 115 7.299 -2.406 -0.868 619 HE2 TYR 115 2HE TYR 115 11.502 -2.746 -1.507 620 HH TYR 115 HH TYR 115 9.870 -2.177 0.742 621 H SER 116 H SER 116 9.090 -9.087 -4.552 622 HA SER 116 HA SER 116 11.538 -8.864 -2.999 623 2HB SER 116 2HB SER 116 11.344 -11.529 -3.643 624 HG SER 116 HG SER 116 9.836 -11.395 -1.519 625 H HIS 117 H HIS 117 10.502 -8.349 -6.087 626 HA HIS 117 HA HIS 117 12.853 -9.622 -7.280 627 2HB HIS 117 2HB HIS 117 10.884 -8.505 -9.133 628 HD1 HIS 117 1HD HIS 117 12.361 -11.805 -7.829 629 HD2 HIS 117 2HD HIS 117 11.403 -9.881 -11.432 630 HE1 HIS 117 1HE HIS 117 13.159 -13.347 -9.698 631 H CYS 118 H CYS 118 12.946 -7.196 -5.627 632 HA CYS 118 HA CYS 118 13.420 -5.165 -7.670 633 2HB CYS 118 2HB CYS 118 13.249 -4.857 -4.665 634 H GLU 119 H GLU 119 14.847 -6.636 -4.660 635 HA GLU 119 HA GLU 119 17.267 -5.495 -4.699 636 2HB GLU 119 2HB GLU 119 17.660 -8.295 -4.117 637 2HG GLU 119 2HG GLU 119 17.454 -5.683 -2.640 638 HA PRO 120 HA PRO 120 18.780 -8.682 -7.868 639 2HB PRO 120 2HB PRO 120 17.940 -10.817 -7.686 640 2HG PRO 120 2HG PRO 120 15.920 -10.966 -6.581 641 2HD PRO 120 2HD PRO 120 16.008 -9.052 -5.310 642 H ILE 121 H ILE 121 19.515 -7.695 -9.637 643 HA ILE 121 HA ILE 121 17.706 -5.905 -10.927 644 HB ILE 121 HB ILE 121 20.567 -6.689 -11.487 645 2HG1 ILE 121 2HG1 ILE 121 21.162 -4.624 -10.411 646 1HG2 ILE 121 1HG2 ILE 121 20.709 -5.138 -13.171 647 2HG2 ILE 121 2HG2 ILE 121 19.060 -5.757 -13.429 648 3HG2 ILE 121 3HG2 ILE 121 19.309 -4.206 -12.591 649 1HD1 ILE 121 1HD1 ILE 121 18.337 -4.006 -10.837 650 2HD1 ILE 121 2HD1 ILE 121 18.793 -3.771 -9.133 651 3HD1 ILE 121 3HD1 ILE 121 19.678 -2.912 -10.417 652 H LEU 122 H LEU 122 16.612 -6.139 -12.849 653 HA LEU 122 HA LEU 122 16.909 -8.769 -14.123 654 2HB LEU 122 2HB LEU 122 14.747 -8.156 -12.903 655 HG LEU 122 HG LEU 122 14.690 -6.113 -15.002 656 1HD1 LEU 122 1HD1 LEU 122 12.757 -6.537 -16.092 657 2HD1 LEU 122 2HD1 LEU 122 13.210 -8.226 -15.761 658 3HD1 LEU 122 3HD1 LEU 122 12.032 -7.399 -14.713 659 1HD2 LEU 122 1HD2 LEU 122 12.536 -5.673 -13.398 660 2HD2 LEU 122 2HD2 LEU 122 13.582 -6.627 -12.318 661 3HD2 LEU 122 3HD2 LEU 122 14.192 -5.123 -13.049 662 H ASP 123 H ASP 123 15.843 -8.483 -16.543 663 HA ASP 123 HA ASP 123 16.094 -7.680 -18.544 664 2HB ASP 123 2HB ASP 123 17.215 -5.017 -17.913 665 H ASP 124 H ASP 124 17.940 -6.501 -20.035 666 HA ASP 124 HA ASP 124 20.013 -6.340 -20.673 667 2HB ASP 124 2HB ASP 124 21.499 -6.997 -18.237 668 H LYS 125 H LYS 125 22.249 -7.777 -20.565 669 HA LYS 125 HA LYS 125 21.699 -10.280 -21.405 670 2HB LYS 125 2HB LYS 125 24.219 -10.219 -19.949 671 2HG LYS 125 2HG LYS 125 24.203 -9.834 -22.880 672 2HD LYS 125 2HD LYS 125 25.352 -12.140 -22.677 673 2HE LYS 125 2HE LYS 125 26.299 -9.522 -22.119 674 1HZ LYS 125 1HZ LYS 125 26.783 -9.814 -19.947 675 2HZ LYS 125 2HZ LYS 125 26.935 -11.437 -20.042 676 3HZ LYS 125 3HZ LYS 125 28.142 -10.472 -20.570 677 H GLN 126 H GLN 126 21.200 -12.261 -20.547 678 HA GLN 126 HA GLN 126 20.876 -12.266 -17.657 679 2HB GLN 126 2HB GLN 126 19.455 -14.416 -18.345 680 2HG GLN 126 2HG GLN 126 18.099 -11.918 -19.259 681 1HE2 GLN 126 1HE2 GLN 126 16.039 -11.778 -18.382 682 2HE2 GLN 126 2HE2 GLN 126 15.257 -13.107 -17.593 683 H ARG 127 H ARG 127 20.980 -14.760 -16.810 684 HA ARG 127 HA ARG 127 23.512 -15.444 -16.611 685 2HB ARG 127 2HB ARG 127 21.322 -17.553 -16.927 686 2HG ARG 127 2HG ARG 127 23.873 -17.355 -15.268 687 2HD ARG 127 2HD ARG 127 21.690 -18.305 -14.097 688 HE ARG 127 HE ARG 127 22.361 -20.863 -15.392 689 1HH1 ARG 127 2HH2 ARG 127 20.179 -18.103 -15.331 690 2HH1 ARG 127 1HH2 ARG 127 18.895 -18.937 -16.141 691 1HH2 ARG 127 2HH1 ARG 127 20.668 -21.964 -16.462 692 2HH2 ARG 127 1HH1 ARG 127 19.175 -21.148 -16.789 693 H LYS 128 H LYS 128 25.117 -15.968 -18.061 694 HA LYS 128 HA LYS 128 24.856 -16.256 -20.712 695 2HB LYS 128 2HB LYS 128 26.873 -17.614 -18.901 696 2HG LYS 128 2HG LYS 128 27.628 -16.759 -21.644 697 2HD LYS 128 2HD LYS 128 28.039 -19.282 -19.973 698 2HE LYS 128 2HE LYS 128 28.840 -18.538 -22.784 699 1HZ LYS 128 1HZ LYS 128 30.934 -19.023 -22.381 700 2HZ LYS 128 2HZ LYS 128 30.653 -19.332 -20.803 701 3HZ LYS 128 3HZ LYS 128 30.506 -20.526 -21.908 702 H TYR 129 H TYR 129 25.265 -19.139 -18.531 703 HA TYR 129 HA TYR 129 24.572 -21.235 -18.743 704 2HB TYR 129 2HB TYR 129 22.300 -19.964 -20.385 705 HD1 TYR 129 1HD TYR 129 22.803 -22.227 -17.421 706 HD2 TYR 129 2HD TYR 129 20.844 -21.580 -21.169 707 HE1 TYR 129 1HE TYR 129 21.557 -24.427 -17.159 708 HE2 TYR 129 2HE TYR 129 19.604 -23.782 -20.893 709 HH TYR 129 HH TYR 129 19.516 -25.665 -19.757 710 H ASP 130 H ASP 130 23.755 -23.003 -20.406 711 HA ASP 130 HA ASP 130 24.528 -22.332 -23.091 712 2HB ASP 130 2HB ASP 130 25.884 -24.575 -21.521 713 H LEU 131 H LEU 131 24.197 -24.472 -24.512 714 HA LEU 131 HA LEU 131 21.944 -25.959 -23.350 715 2HB LEU 131 2HB LEU 131 21.811 -26.071 -26.157 716 HG LEU 131 HG LEU 131 19.786 -24.705 -25.960 717 1HD1 LEU 131 1HD1 LEU 131 18.506 -26.189 -24.506 718 2HD1 LEU 131 2HD1 LEU 131 19.678 -27.106 -25.482 719 3HD1 LEU 131 3HD1 LEU 131 20.011 -26.784 -23.764 720 1HD2 LEU 131 1HD2 LEU 131 20.969 -23.339 -23.996 721 2HD2 LEU 131 2HD2 LEU 131 19.201 -23.428 -24.174 722 3HD2 LEU 131 3HD2 LEU 131 20.032 -24.478 -23.001 723 H HIS 132 H HIS 132 21.669 -28.030 -25.083 724 HA HIS 132 HA HIS 132 24.162 -29.160 -25.807 725 2HB HIS 132 2HB HIS 132 23.882 -29.349 -23.177 726 HD1 HIS 132 1HD HIS 132 21.505 -29.791 -22.171 727 HD2 HIS 132 2HD HIS 132 23.100 -33.007 -24.344 728 HE1 HIS 132 1HE HIS 132 20.051 -31.816 -21.623 729 HE2 HIS 132 2HE HIS 132 21.046 -33.747 -23.030 730 H TYR 133 H TYR 133 23.874 -31.066 -27.089 731 HA TYR 133 HA TYR 133 21.549 -31.185 -28.541 732 2HB TYR 133 2HB TYR 133 23.689 -33.272 -27.794 733 HD1 TYR 133 1HD TYR 133 22.999 -35.455 -28.196 734 HD2 TYR 133 2HD TYR 133 21.757 -32.367 -30.884 735 HE1 TYR 133 1HE TYR 133 21.912 -37.193 -29.701 736 HE2 TYR 133 2HE TYR 133 20.674 -34.115 -32.381 737 HH TYR 133 HH TYR 133 20.055 -37.225 -31.361 Start of MODEL 3 1 1H GLY 15 H GLY 15 36.955 16.616 10.363 2 1HA GLY 15 1HA GLY 15 35.916 14.407 8.908 3 2HA GLY 15 2HA GLY 15 37.108 13.869 10.075 4 H SER 16 H SER 16 34.470 13.041 10.373 5 HA SER 16 HA SER 16 33.956 13.937 12.968 6 2HB SER 16 2HB SER 16 31.930 14.806 10.858 7 HG SER 16 HG SER 16 31.940 15.379 13.691 8 H GLY 17 H GLY 17 31.714 12.915 13.737 9 1HA GLY 17 1HA GLY 17 30.519 10.879 12.203 10 2HA GLY 17 2HA GLY 17 31.789 10.175 13.184 11 H MET 18 H MET 18 29.191 9.375 13.672 12 HA MET 18 HA MET 18 28.804 10.518 16.302 13 2HB MET 18 2HB MET 18 26.242 10.386 15.789 14 2HG MET 18 2HG MET 18 26.243 12.606 14.592 15 1HE MET 18 1HE MET 18 25.130 12.657 16.613 16 2HE MET 18 2HE MET 18 25.762 13.199 18.187 17 3HE MET 18 3HE MET 18 25.674 14.339 16.824 18 H LYS 19 H LYS 19 28.027 9.019 17.852 19 HA LYS 19 HA LYS 19 27.773 6.283 16.817 20 2HB LYS 19 2HB LYS 19 28.484 5.741 19.269 21 2HG LYS 19 2HG LYS 19 29.961 6.300 16.817 22 2HD LYS 19 2HD LYS 19 32.199 6.246 18.337 23 2HE LYS 19 2HE LYS 19 32.253 8.811 18.071 24 1HZ LYS 19 1HZ LYS 19 31.542 7.074 15.815 25 2HZ LYS 19 2HZ LYS 19 32.083 8.604 15.630 26 3HZ LYS 19 3HZ LYS 19 33.042 7.476 16.319 27 H GLU 20 H GLU 20 26.362 4.840 18.242 28 HA GLU 20 HA GLU 20 24.311 6.360 19.595 29 2HB GLU 20 2HB GLU 20 23.523 6.142 17.249 30 2HG GLU 20 2HG GLU 20 23.225 3.166 17.634 31 H THR 21 H THR 21 22.703 4.752 20.719 32 HA THR 21 HA THR 21 24.073 2.244 21.385 33 HB THR 21 HB THR 21 24.668 4.021 23.074 34 HG1 THR 21 1HG THR 21 24.476 1.901 23.901 35 1HG2 THR 21 1HG2 THR 21 22.976 5.505 23.584 36 2HG2 THR 21 2HG2 THR 21 21.713 4.395 22.997 37 3HG2 THR 21 3HG2 THR 21 22.377 4.201 24.637 38 H ALA 22 H ALA 22 22.725 0.522 21.995 39 HA ALA 22 HA ALA 22 19.932 0.992 21.243 40 1HB ALA 22 1HB ALA 22 21.913 -1.118 20.758 41 2HB ALA 22 2HB ALA 22 20.373 -1.757 21.382 42 3HB ALA 22 3HB ALA 22 20.392 -0.765 19.904 43 H ALA 23 H ALA 23 18.233 0.344 22.615 44 HA ALA 23 HA ALA 23 19.070 0.000 25.388 45 1HB ALA 23 1HB ALA 23 16.230 0.246 25.071 46 2HB ALA 23 2HB ALA 23 17.375 1.424 25.756 47 3HB ALA 23 3HB ALA 23 17.011 1.445 24.014 48 H ALA 24 H ALA 24 16.518 -1.327 23.152 49 HA ALA 24 HA ALA 24 17.242 -3.990 23.597 50 1HB ALA 24 1HB ALA 24 14.878 -3.008 25.248 51 2HB ALA 24 2HB ALA 24 15.390 -4.702 25.059 52 3HB ALA 24 3HB ALA 24 16.448 -3.541 25.896 53 H LYS 25 H LYS 25 15.171 -5.448 22.934 54 HA LYS 25 HA LYS 25 14.444 -4.471 20.378 55 2HB LYS 25 2HB LYS 25 14.891 -6.843 20.850 56 2HG LYS 25 2HG LYS 25 12.264 -6.694 22.405 57 2HD LYS 25 2HD LYS 25 13.277 -8.834 20.904 58 2HE LYS 25 2HE LYS 25 13.711 -9.581 23.803 59 1HZ LYS 25 1HZ LYS 25 15.241 -11.108 22.567 60 2HZ LYS 25 2HZ LYS 25 13.645 -11.349 22.317 61 3HZ LYS 25 3HZ LYS 25 14.545 -10.590 21.184 62 H PHE 26 H PHE 26 12.452 -3.725 19.596 63 HA PHE 26 HA PHE 26 10.694 -2.743 21.707 64 2HB PHE 26 2HB PHE 26 9.832 -1.408 19.624 65 HD1 PHE 26 1HD PHE 26 13.320 -1.254 18.816 66 HD2 PHE 26 2HD PHE 26 10.410 0.060 21.611 67 HE1 PHE 26 1HE PHE 26 14.865 0.578 19.564 68 HE2 PHE 26 2HE PHE 26 11.954 1.892 22.359 69 HZ PHE 26 HZ PHE 26 14.163 2.129 21.326 70 H GLU 27 H GLU 27 8.267 -2.546 20.874 71 HA GLU 27 HA GLU 27 7.532 -4.819 19.277 72 2HB GLU 27 2HB GLU 27 7.675 -5.748 21.579 73 2HG GLU 27 2HG GLU 27 6.271 -3.250 22.209 74 H ARG 28 H ARG 28 5.002 -4.833 19.005 75 HA ARG 28 HA ARG 28 4.175 -2.042 18.968 76 2HB ARG 28 2HB ARG 28 4.515 -2.936 16.687 77 2HG ARG 28 2HG ARG 28 3.329 -5.310 17.846 78 2HD ARG 28 2HD ARG 28 2.083 -4.799 15.164 79 HE ARG 28 HE ARG 28 1.727 -6.646 17.371 80 1HH1 ARG 28 2HH2 ARG 28 0.006 -5.055 14.746 81 2HH1 ARG 28 1HH2 ARG 28 -1.204 -6.287 14.621 82 1HH2 ARG 28 2HH1 ARG 28 0.130 -8.272 17.208 83 2HH2 ARG 28 1HH1 ARG 28 -1.134 -8.129 16.032 84 H GLN 29 H GLN 29 1.743 -1.710 19.139 85 HA GLN 29 HA GLN 29 0.565 -3.888 20.684 86 2HB GLN 29 2HB GLN 29 -0.035 -0.930 21.084 87 2HG GLN 29 2HG GLN 29 -1.523 -3.002 21.921 88 1HE2 GLN 29 1HE2 GLN 29 -1.958 -3.792 24.189 89 2HE2 GLN 29 2HE2 GLN 29 -0.644 -4.524 25.048 90 H HIS 30 H HIS 30 -0.279 -0.865 18.835 91 HA HIS 30 HA HIS 30 -2.127 -0.370 17.701 92 2HB HIS 30 2HB HIS 30 -0.882 -2.774 16.480 93 HD1 HIS 30 1HD HIS 30 -2.196 -4.433 15.174 94 HD2 HIS 30 2HD HIS 30 -4.120 -0.710 15.356 95 HE1 HIS 30 1HE HIS 30 -4.362 -4.682 13.848 96 H MET 31 H MET 31 -3.777 -0.370 19.282 97 HA MET 31 HA MET 31 -5.480 -2.719 19.091 98 2HB MET 31 2HB MET 31 -5.186 -1.185 21.706 99 2HG MET 31 2HG MET 31 -6.480 -3.657 20.767 100 1HE MET 31 1HE MET 31 -4.884 -6.678 21.856 101 2HE MET 31 2HE MET 31 -6.580 -6.225 22.146 102 3HE MET 31 3HE MET 31 -5.758 -5.690 20.661 103 H ASP 32 H ASP 32 -5.265 0.651 20.453 104 HA ASP 32 HA ASP 32 -7.917 1.069 19.312 105 2HB ASP 32 2HB ASP 32 -8.405 1.249 21.580 106 H SER 33 H SER 33 -8.293 3.587 18.984 107 HA SER 33 HA SER 33 -5.960 5.169 18.785 108 2HB SER 33 2HB SER 33 -6.493 5.516 16.191 109 HG SER 33 HG SER 33 -4.954 3.386 17.383 110 HA PRO 34 HA PRO 34 -9.135 8.136 19.002 111 2HB PRO 34 2HB PRO 34 -7.717 9.707 19.909 112 2HG PRO 34 2HG PRO 34 -5.480 9.354 19.467 113 2HD PRO 34 2HD PRO 34 -5.494 7.088 19.079 114 H ASP 35 H ASP 35 -9.594 10.481 17.570 115 HA ASP 35 HA ASP 35 -9.882 9.430 14.879 116 2HB ASP 35 2HB ASP 35 -12.184 9.817 14.779 117 H LEU 36 H LEU 36 -9.099 10.989 13.446 118 HA LEU 36 HA LEU 36 -9.602 13.775 13.985 119 2HB LEU 36 2HB LEU 36 -6.868 13.752 13.376 120 HG LEU 36 HG LEU 36 -8.512 14.547 15.720 121 1HD1 LEU 36 1HD1 LEU 36 -6.015 13.273 16.154 122 2HD1 LEU 36 2HD1 LEU 36 -5.778 15.017 16.422 123 3HD1 LEU 36 3HD1 LEU 36 -7.038 14.141 17.324 124 1HD2 LEU 36 1HD2 LEU 36 -7.519 16.677 15.366 125 2HD2 LEU 36 2HD2 LEU 36 -6.241 15.989 14.335 126 3HD2 LEU 36 3HD2 LEU 36 -7.928 16.021 13.763 127 H GLY 37 H GLY 37 -10.956 13.382 12.094 128 1HA GLY 37 1HA GLY 37 -9.858 14.217 9.713 129 2HA GLY 37 2HA GLY 37 -9.801 12.467 9.648 130 H THR 38 H THR 38 -12.064 15.185 10.476 131 HA THR 38 HA THR 38 -14.325 13.485 9.791 132 HB THR 38 HB THR 38 -14.365 14.910 11.843 133 HG1 THR 38 1HG THR 38 -16.362 14.560 10.683 134 1HG2 THR 38 1HG2 THR 38 -13.897 17.099 9.778 135 2HG2 THR 38 2HG2 THR 38 -14.796 17.442 11.276 136 3HG2 THR 38 3HG2 THR 38 -13.107 16.885 11.359 137 H THR 39 H THR 39 -12.461 14.023 7.656 138 HA THR 39 HA THR 39 -14.353 15.012 5.755 139 HB THR 39 HB THR 39 -13.397 17.146 6.725 140 HG1 THR 39 1HG THR 39 -13.091 17.900 4.570 141 1HG2 THR 39 1HG2 THR 39 -10.885 15.685 6.280 142 2HG2 THR 39 2HG2 THR 39 -10.906 17.218 5.377 143 3HG2 THR 39 3HG2 THR 39 -11.147 17.221 7.141 144 H LEU 40 H LEU 40 -11.774 15.742 4.097 145 HA LEU 40 HA LEU 40 -11.057 12.940 3.574 146 2HB LEU 40 2HB LEU 40 -12.539 13.655 1.852 147 HG LEU 40 HG LEU 40 -10.738 16.062 1.542 148 1HD1 LEU 40 1HD1 LEU 40 -12.220 16.463 -0.547 149 2HD1 LEU 40 2HD1 LEU 40 -10.829 15.359 -0.666 150 3HD1 LEU 40 3HD1 LEU 40 -12.475 14.703 -0.502 151 1HD2 LEU 40 1HD2 LEU 40 -13.505 16.642 1.231 152 2HD2 LEU 40 2HD2 LEU 40 -13.316 15.639 2.689 153 3HD2 LEU 40 3HD2 LEU 40 -12.395 17.154 2.525 154 H LEU 41 H LEU 41 -9.027 12.664 4.345 155 HA LEU 41 HA LEU 41 -7.196 14.920 4.185 156 2HB LEU 41 2HB LEU 41 -5.907 13.836 5.798 157 HG LEU 41 HG LEU 41 -8.825 13.584 6.300 158 1HD1 LEU 41 1HD1 LEU 41 -8.738 11.770 7.575 159 2HD1 LEU 41 2HD1 LEU 41 -6.975 11.642 7.361 160 3HD1 LEU 41 3HD1 LEU 41 -7.641 12.644 8.673 161 1HD2 LEU 41 1HD2 LEU 41 -6.791 14.650 8.226 162 2HD2 LEU 41 2HD2 LEU 41 -7.174 15.571 6.752 163 3HD2 LEU 41 3HD2 LEU 41 -8.463 15.178 7.916 164 H GLU 42 H GLU 42 -8.262 12.839 1.989 165 HA GLU 42 HA GLU 42 -5.577 12.232 1.023 166 2HB GLU 42 2HB GLU 42 -6.771 10.454 -0.381 167 2HG GLU 42 2HG GLU 42 -5.655 10.206 2.038 168 H GLN 43 H GLN 43 -7.286 14.756 0.796 169 HA GLN 43 HA GLN 43 -8.267 14.837 -1.823 170 2HB GLN 43 2HB GLN 43 -7.439 17.065 0.086 171 2HG GLN 43 2HG GLN 43 -8.567 17.083 -2.686 172 1HE2 GLN 43 1HE2 GLN 43 -8.890 18.911 0.357 173 2HE2 GLN 43 2HE2 GLN 43 -10.468 19.560 0.056 174 H TYR 44 H TYR 44 -6.131 13.659 -2.595 175 HA TYR 44 HA TYR 44 -4.775 15.374 -4.276 176 2HB TYR 44 2HB TYR 44 -2.523 14.760 -2.721 177 HD1 TYR 44 1HD TYR 44 -2.768 16.712 -4.689 178 HD2 TYR 44 2HD TYR 44 -3.712 17.121 -0.537 179 HE1 TYR 44 1HE TYR 44 -2.428 19.227 -4.852 180 HE2 TYR 44 2HE TYR 44 -3.369 19.634 -0.713 181 HH TYR 44 HH TYR 44 -3.588 21.329 -2.918 182 H CYS 45 H CYS 45 -5.462 13.465 -5.515 183 HA CYS 45 HA CYS 45 -3.399 11.768 -6.083 184 2HB CYS 45 2HB CYS 45 -5.188 9.823 -4.934 185 H HIS 46 H HIS 46 -5.021 13.273 -7.636 186 HA HIS 46 HA HIS 46 -7.435 12.114 -8.397 187 2HB HIS 46 2HB HIS 46 -5.626 13.763 -10.171 188 HD1 HIS 46 1HD HIS 46 -7.249 15.558 -11.517 189 HD2 HIS 46 2HD HIS 46 -9.040 12.072 -10.022 190 HE1 HIS 46 1HE HIS 46 -9.454 15.292 -12.773 191 H ARG 47 H ARG 47 -7.983 10.498 -9.837 192 HA ARG 47 HA ARG 47 -5.707 9.041 -10.887 193 2HB ARG 47 2HB ARG 47 -6.947 7.453 -9.714 194 2HG ARG 47 2HG ARG 47 -9.605 7.571 -9.965 195 2HD ARG 47 2HD ARG 47 -7.689 8.631 -8.062 196 HE ARG 47 HE ARG 47 -8.596 10.737 -7.679 197 1HH1 ARG 47 2HH2 ARG 47 -11.093 8.707 -9.103 198 2HH1 ARG 47 1HH2 ARG 47 -12.293 9.955 -9.095 199 1HH2 ARG 47 2HH1 ARG 47 -10.180 12.385 -7.667 200 2HH2 ARG 47 1HH1 ARG 47 -11.771 12.062 -8.273 201 H THR 48 H THR 48 -8.983 8.516 -12.128 202 HA THR 48 HA THR 48 -9.230 10.298 -14.156 203 HB THR 48 HB THR 48 -7.146 9.843 -15.183 204 HG1 THR 48 1HG THR 48 -8.618 9.431 -16.847 205 1HG2 THR 48 1HG2 THR 48 -6.282 7.962 -13.935 206 2HG2 THR 48 2HG2 THR 48 -7.672 6.943 -14.380 207 3HG2 THR 48 3HG2 THR 48 -6.457 7.377 -15.607 208 H THR 49 H THR 49 -10.556 9.351 -16.082 209 HA THR 49 HA THR 49 -11.755 6.877 -15.950 210 HB THR 49 HB THR 49 -12.691 7.267 -13.796 211 HG1 THR 49 1HG THR 49 -14.284 6.821 -15.551 212 1HG2 THR 49 1HG2 THR 49 -12.665 9.414 -12.990 213 2HG2 THR 49 2HG2 THR 49 -12.571 10.094 -14.632 214 3HG2 THR 49 3HG2 THR 49 -14.153 9.674 -13.932 215 H ILE 50 H ILE 50 -11.887 6.872 -18.130 216 HA ILE 50 HA ILE 50 -12.314 7.638 -20.190 217 HB ILE 50 HB ILE 50 -14.376 6.542 -19.366 218 2HG1 ILE 50 2HG1 ILE 50 -14.029 7.322 -21.730 219 1HG2 ILE 50 1HG2 ILE 50 -15.258 9.386 -18.810 220 2HG2 ILE 50 2HG2 ILE 50 -16.344 7.977 -18.869 221 3HG2 ILE 50 3HG2 ILE 50 -15.064 8.064 -17.635 222 1HD1 ILE 50 1HD1 ILE 50 -15.961 6.189 -22.042 223 2HD1 ILE 50 2HD1 ILE 50 -16.472 6.560 -20.378 224 3HD1 ILE 50 3HD1 ILE 50 -16.864 7.685 -21.701 225 H GLY 51 H GLY 51 -11.125 9.658 -18.392 226 1HA GLY 51 1HA GLY 51 -10.873 11.901 -18.184 227 2HA GLY 51 2HA GLY 51 -11.011 11.853 -19.930 228 H ASN 52 H ASN 52 -13.220 11.652 -17.040 229 HA ASN 52 HA ASN 52 -14.597 13.957 -17.869 230 2HB ASN 52 2HB ASN 52 -16.759 12.093 -17.806 231 1HD2 ASN 52 1HD2 ASN 52 -17.523 14.212 -18.262 232 2HD2 ASN 52 2HD2 ASN 52 -17.514 14.848 -19.873 233 H PHE 53 H PHE 53 -15.929 10.898 -16.438 234 HA PHE 53 HA PHE 53 -15.299 11.303 -13.810 235 2HB PHE 53 2HB PHE 53 -18.127 12.135 -13.886 236 HD1 PHE 53 1HD PHE 53 -14.619 13.141 -13.216 237 HD2 PHE 53 2HD PHE 53 -18.682 13.474 -12.040 238 HE1 PHE 53 1HE PHE 53 -13.914 14.322 -11.116 239 HE2 PHE 53 2HE PHE 53 -17.978 14.653 -9.940 240 HZ PHE 53 HZ PHE 53 -15.602 15.064 -9.503 241 H SER 54 H SER 54 -17.922 10.459 -16.128 242 HA SER 54 HA SER 54 -19.190 8.625 -14.498 243 2HB SER 54 2HB SER 54 -19.399 7.725 -17.201 244 HG SER 54 HG SER 54 -21.006 9.476 -15.553 245 H GLY 55 H GLY 55 -19.194 6.195 -14.730 246 1HA GLY 55 1HA GLY 55 -16.540 5.165 -15.532 247 2HA GLY 55 2HA GLY 55 -17.300 4.719 -14.018 248 HA PRO 56 HA PRO 56 -19.402 2.608 -17.739 249 2HB PRO 56 2HB PRO 56 -18.574 3.188 -19.808 250 2HG PRO 56 2HG PRO 56 -16.555 4.302 -19.758 251 2HD PRO 56 2HD PRO 56 -16.631 5.192 -17.640 252 H TYR 57 H TYR 57 -16.117 1.301 -17.613 253 HA TYR 57 HA TYR 57 -17.289 -1.223 -16.751 254 2HB TYR 57 2HB TYR 57 -15.640 -1.303 -18.561 255 HD1 TYR 57 1HD TYR 57 -15.058 0.797 -19.619 256 HD2 TYR 57 2HD TYR 57 -13.124 -0.427 -16.004 257 HE1 TYR 57 1HE TYR 57 -13.283 2.587 -19.954 258 HE2 TYR 57 2HE TYR 57 -11.355 1.366 -16.352 259 HH TYR 57 HH TYR 57 -10.396 2.596 -18.272 260 H THR 58 H THR 58 -16.209 -2.454 -14.967 261 HA THR 58 HA THR 58 -15.847 -0.697 -12.707 262 HB THR 58 HB THR 58 -15.778 -3.751 -12.951 263 HG1 THR 58 1HG THR 58 -18.074 -3.400 -12.389 264 1HG2 THR 58 1HG2 THR 58 -15.520 -1.884 -10.703 265 2HG2 THR 58 2HG2 THR 58 -17.003 -2.856 -10.548 266 3HG2 THR 58 3HG2 THR 58 -15.422 -3.661 -10.692 267 H TYR 59 H TYR 59 -13.945 0.372 -12.604 268 HA TYR 59 HA TYR 59 -11.528 -1.216 -13.108 269 2HB TYR 59 2HB TYR 59 -11.575 0.781 -14.461 270 HD1 TYR 59 1HD TYR 59 -12.281 2.109 -11.011 271 HD2 TYR 59 2HD TYR 59 -13.108 2.344 -15.203 272 HE1 TYR 59 1HE TYR 59 -13.911 4.017 -10.591 273 HE2 TYR 59 2HE TYR 59 -14.734 4.249 -14.768 274 HH TYR 59 HH TYR 59 -16.183 4.864 -12.359 275 H CYS 60 H CYS 60 -9.605 -0.633 -11.691 276 HA CYS 60 HA CYS 60 -10.161 -1.185 -9.074 277 2HB CYS 60 2HB CYS 60 -7.889 -0.747 -8.602 278 H ASN 61 H ASN 61 -9.755 0.285 -7.119 279 HA ASN 61 HA ASN 61 -10.943 2.874 -7.702 280 2HB ASN 61 2HB ASN 61 -10.742 1.478 -4.987 281 1HD2 ASN 61 1HD2 ASN 61 -13.278 3.116 -6.835 282 2HD2 ASN 61 2HD2 ASN 61 -13.532 4.443 -5.750 283 H THR 62 H THR 62 -10.213 4.596 -5.884 284 HA THR 62 HA THR 62 -7.287 4.412 -5.712 285 HB THR 62 HB THR 62 -8.547 6.302 -6.993 286 HG1 THR 62 1HG THR 62 -7.001 7.838 -5.837 287 1HG2 THR 62 1HG2 THR 62 -8.717 7.644 -4.300 288 2HG2 THR 62 2HG2 THR 62 -9.635 7.981 -5.787 289 3HG2 THR 62 3HG2 THR 62 -10.075 6.591 -4.766 290 H THR 63 H THR 63 -6.195 4.490 -3.803 291 HA THR 63 HA THR 63 -6.982 5.533 -1.437 292 HB THR 63 HB THR 63 -8.593 3.183 -2.124 293 HG1 THR 63 1HG THR 63 -9.161 5.334 -1.152 294 1HG2 THR 63 1HG2 THR 63 -8.433 2.019 0.021 295 2HG2 THR 63 2HG2 THR 63 -6.805 2.028 -0.700 296 3HG2 THR 63 3HG2 THR 63 -7.208 3.170 0.605 297 H LEU 64 H LEU 64 -5.697 4.748 0.434 298 HA LEU 64 HA LEU 64 -3.378 3.225 -0.535 299 2HB LEU 64 2HB LEU 64 -3.022 5.695 -0.260 300 HG LEU 64 HG LEU 64 -2.580 6.605 1.922 301 1HD1 LEU 64 1HD1 LEU 64 -4.728 7.170 2.500 302 2HD1 LEU 64 2HD1 LEU 64 -4.983 6.518 0.863 303 3HD1 LEU 64 3HD1 LEU 64 -5.344 5.514 2.287 304 1HD2 LEU 64 1HD2 LEU 64 -2.364 5.435 3.811 305 2HD2 LEU 64 2HD2 LEU 64 -3.884 4.548 3.543 306 3HD2 LEU 64 3HD2 LEU 64 -2.379 3.989 2.774 307 H ASP 65 H ASP 65 -2.530 1.643 0.843 308 HA ASP 65 HA ASP 65 -3.253 1.449 3.515 309 2HB ASP 65 2HB ASP 65 -4.471 -0.906 2.189 310 H GLN 66 H GLN 66 -0.917 1.293 1.762 311 HA GLN 66 HA GLN 66 -0.185 -1.493 2.217 312 2HB GLN 66 2HB GLN 66 1.528 -0.775 0.218 313 2HG GLN 66 2HG GLN 66 0.047 -2.784 0.249 314 1HE2 GLN 66 1HE2 GLN 66 -1.673 -0.341 -1.665 315 2HE2 GLN 66 2HE2 GLN 66 -3.266 -0.664 -1.066 316 H ILE 67 H ILE 67 1.627 1.479 1.186 317 HA ILE 67 HA ILE 67 3.008 1.447 3.751 318 HB ILE 67 HB ILE 67 5.154 1.821 2.314 319 2HG1 ILE 67 2HG1 ILE 67 3.384 1.378 0.239 320 1HG2 ILE 67 1HG2 ILE 67 3.851 -0.807 3.013 321 2HG2 ILE 67 2HG2 ILE 67 5.494 -0.720 2.333 322 3HG2 ILE 67 3HG2 ILE 67 5.126 0.081 3.880 323 1HD1 ILE 67 1HD1 ILE 67 5.520 2.475 -0.065 324 2HD1 ILE 67 2HD1 ILE 67 6.404 1.016 0.443 325 3HD1 ILE 67 3HD1 ILE 67 5.525 1.030 -1.105 326 H GLY 68 H GLY 68 0.913 3.149 2.799 327 1HA GLY 68 1HA GLY 68 0.611 5.407 3.095 328 2HA GLY 68 2HA GLY 68 2.331 5.684 2.913 329 H THR 69 H THR 69 2.677 4.156 0.422 330 HA THR 69 HA THR 69 2.186 6.167 -1.429 331 HB THR 69 HB THR 69 2.813 3.185 -1.617 332 HG1 THR 69 1HG THR 69 4.345 4.850 -0.755 333 1HG2 THR 69 1HG2 THR 69 1.827 4.803 -3.751 334 2HG2 THR 69 2HG2 THR 69 3.597 4.783 -3.934 335 3HG2 THR 69 3HG2 THR 69 2.688 3.253 -3.898 336 H CYS 70 H CYS 70 0.314 6.974 -2.121 337 HA CYS 70 HA CYS 70 -2.049 5.379 -1.952 338 2HB CYS 70 2HB CYS 70 -1.384 8.208 -2.526 339 H TRP 71 H TRP 71 -3.206 4.468 -3.712 340 HA TRP 71 HA TRP 71 -1.794 4.592 -6.291 341 2HB TRP 71 2HB TRP 71 -2.145 2.357 -6.653 342 HD1 TRP 71 HD TRP 71 -2.803 2.363 -2.807 343 HE1 TRP 71 1HE TRP 71 -0.758 1.310 -1.514 344 HE3 TRP 71 3HE TRP 71 0.154 1.768 -6.901 345 HZ2 TRP 71 2HZ TRP 71 1.810 0.367 -2.331 346 HZ3 TRP 71 3HZ TRP 71 2.415 0.775 -6.566 347 HH2 TRP 71 HH TRP 71 3.255 0.084 -4.377 348 HA PRO 72 HA PRO 72 -5.671 6.384 -7.348 349 2HB PRO 72 2HB PRO 72 -4.682 8.194 -8.371 350 2HG PRO 72 2HG PRO 72 -2.435 7.937 -8.822 351 2HD PRO 72 2HD PRO 72 -1.882 6.353 -7.250 352 H GLN 73 H GLN 73 -7.523 5.950 -8.607 353 HA GLN 73 HA GLN 73 -8.018 3.422 -9.106 354 2HB GLN 73 2HB GLN 73 -9.644 4.236 -10.921 355 2HG GLN 73 2HG GLN 73 -9.873 6.133 -8.608 356 1HE2 GLN 73 1HE2 GLN 73 -11.196 6.203 -10.956 357 2HE2 GLN 73 2HE2 GLN 73 -12.816 5.614 -10.796 358 H SER 74 H SER 74 -8.074 1.985 -11.006 359 HA SER 74 HA SER 74 -6.520 2.773 -13.262 360 2HB SER 74 2HB SER 74 -4.676 1.357 -13.013 361 HG SER 74 HG SER 74 -4.332 2.847 -11.364 362 H ALA 75 H ALA 75 -6.380 0.780 -14.859 363 HA ALA 75 HA ALA 75 -9.020 -0.264 -15.062 364 1HB ALA 75 1HB ALA 75 -6.676 0.105 -16.716 365 2HB ALA 75 2HB ALA 75 -7.270 -1.565 -16.881 366 3HB ALA 75 3HB ALA 75 -8.360 -0.197 -17.207 367 HA PRO 76 HA PRO 76 -8.400 -4.079 -13.124 368 2HB PRO 76 2HB PRO 76 -10.656 -4.543 -13.133 369 2HG PRO 76 2HG PRO 76 -11.862 -3.427 -14.752 370 2HD PRO 76 2HD PRO 76 -10.492 -1.616 -15.106 371 H GLY 77 H GLY 77 -7.360 -6.099 -13.127 372 1HA GLY 77 1HA GLY 77 -5.926 -7.617 -13.955 373 2HA GLY 77 2HA GLY 77 -6.730 -7.442 -15.503 374 H ALA 78 H ALA 78 -4.585 -5.393 -13.383 375 HA ALA 78 HA ALA 78 -2.808 -5.086 -15.685 376 1HB ALA 78 1HB ALA 78 -4.390 -3.141 -15.582 377 2HB ALA 78 2HB ALA 78 -3.785 -2.786 -13.946 378 3HB ALA 78 3HB ALA 78 -2.687 -2.682 -15.343 379 H LEU 79 H LEU 79 -0.996 -3.304 -14.419 380 HA LEU 79 HA LEU 79 -0.293 -4.697 -11.948 381 2HB LEU 79 2HB LEU 79 2.043 -4.134 -13.558 382 HG LEU 79 HG LEU 79 2.655 -6.412 -13.138 383 1HD1 LEU 79 1HD1 LEU 79 3.228 -5.829 -11.080 384 2HD1 LEU 79 2HD1 LEU 79 1.963 -4.576 -11.077 385 3HD1 LEU 79 3HD1 LEU 79 1.592 -6.217 -10.498 386 1HD2 LEU 79 1HD2 LEU 79 -0.195 -6.844 -12.205 387 2HD2 LEU 79 2HD2 LEU 79 0.572 -7.526 -13.660 388 3HD2 LEU 79 3HD2 LEU 79 1.132 -8.020 -12.044 389 H VAL 80 H VAL 80 -0.528 -3.056 -10.502 390 HA VAL 80 HA VAL 80 0.397 -0.409 -11.306 391 HB VAL 80 HB VAL 80 -1.368 -1.484 -9.120 392 1HG1 VAL 80 1HG1 VAL 80 -1.465 1.217 -8.730 393 2HG1 VAL 80 2HG1 VAL 80 -0.491 0.089 -7.756 394 3HG1 VAL 80 3HG1 VAL 80 0.261 0.984 -9.098 395 1HG2 VAL 80 1HG2 VAL 80 -2.424 0.802 -10.453 396 2HG2 VAL 80 2HG2 VAL 80 -1.780 -0.297 -11.696 397 3HG2 VAL 80 3HG2 VAL 80 -2.988 -0.885 -10.528 398 H GLU 81 H GLU 81 2.630 -1.683 -11.264 399 HA GLU 81 HA GLU 81 3.610 -1.751 -8.537 400 2HB GLU 81 2HB GLU 81 4.042 -3.722 -9.992 401 2HG GLU 81 2HG GLU 81 5.905 -1.910 -11.578 402 H ARG 82 H ARG 82 5.747 -0.717 -8.047 403 HA ARG 82 HA ARG 82 6.726 1.175 -9.898 404 2HB ARG 82 2HB ARG 82 4.939 2.610 -9.192 405 2HG ARG 82 2HG ARG 82 5.603 1.999 -6.282 406 2HD ARG 82 2HD ARG 82 4.383 4.134 -6.771 407 HE ARG 82 HE ARG 82 2.040 2.635 -7.787 408 1HH1 ARG 82 2HH2 ARG 82 4.764 4.737 -8.525 409 2HH1 ARG 82 1HH2 ARG 82 4.112 5.261 -10.042 410 1HH2 ARG 82 2HH1 ARG 82 1.179 3.327 -9.788 411 2HH2 ARG 82 1HH1 ARG 82 2.060 4.454 -10.765 412 HA PRO 83 HA PRO 83 10.132 0.470 -7.260 413 2HB PRO 83 2HB PRO 83 11.630 0.883 -8.958 414 2HG PRO 83 2HG PRO 83 10.793 2.147 -10.695 415 2HD PRO 83 2HD PRO 83 8.546 1.712 -10.471 416 H CYS 84 H CYS 84 10.406 0.735 -5.141 417 HA CYS 84 HA CYS 84 9.149 2.627 -3.733 418 2HB CYS 84 2HB CYS 84 10.739 2.236 -1.924 419 HA PRO 85 HA PRO 85 11.418 6.150 -5.223 420 2HB PRO 85 2HB PRO 85 9.572 7.148 -6.169 421 2HG PRO 85 2HG PRO 85 7.553 6.225 -5.545 422 2HD PRO 85 2HD PRO 85 8.235 4.110 -4.956 423 H GLU 86 H GLU 86 11.912 8.444 -4.262 424 HA GLU 86 HA GLU 86 13.093 7.831 -1.789 425 2HB GLU 86 2HB GLU 86 14.152 9.384 -3.357 426 2HG GLU 86 2HG GLU 86 11.676 10.347 -3.922 427 H TYR 87 H TYR 87 12.810 9.359 0.192 428 HA TYR 87 HA TYR 87 11.491 9.906 1.896 429 2HB TYR 87 2HB TYR 87 10.060 11.146 -0.532 430 HD1 TYR 87 1HD TYR 87 10.514 11.726 3.159 431 HD2 TYR 87 2HD TYR 87 7.953 12.054 -0.254 432 HE1 TYR 87 1HE TYR 87 8.682 12.714 4.619 433 HE2 TYR 87 2HE TYR 87 6.131 13.043 1.218 434 HH TYR 87 HH TYR 87 6.514 14.424 3.875 435 H PHE 88 H PHE 88 11.000 7.310 1.338 436 HA PHE 88 HA PHE 88 8.069 7.157 1.431 437 2HB PHE 88 2HB PHE 88 9.253 6.178 -0.627 438 HD1 PHE 88 1HD PHE 88 11.777 6.326 -0.131 439 HD2 PHE 88 2HD PHE 88 9.358 3.048 1.055 440 HE1 PHE 88 1HE PHE 88 13.826 4.892 0.085 441 HE2 PHE 88 2HE PHE 88 11.407 1.614 1.271 442 HZ PHE 88 HZ PHE 88 13.616 2.553 0.783 443 H ASN 89 H ASN 89 11.196 5.651 2.476 444 HA ASN 89 HA ASN 89 9.727 4.611 4.766 445 2HB ASN 89 2HB ASN 89 10.823 2.852 3.395 446 1HD2 ASN 89 1HD2 ASN 89 13.213 1.778 3.579 447 2HD2 ASN 89 2HD2 ASN 89 14.448 2.728 2.822 448 H GLY 90 H GLY 90 12.220 6.758 3.559 449 1HA GLY 90 1HA GLY 90 12.601 8.352 5.653 450 2HA GLY 90 2HA GLY 90 13.611 6.992 6.106 451 H ILE 91 H ILE 91 14.688 6.113 3.688 452 HA ILE 91 HA ILE 91 16.398 8.380 3.049 453 HB ILE 91 HB ILE 91 17.340 6.221 3.831 454 2HG1 ILE 91 2HG1 ILE 91 18.399 7.985 2.157 455 1HG2 ILE 91 1HG2 ILE 91 16.941 4.970 1.169 456 2HG2 ILE 91 2HG2 ILE 91 17.064 4.235 2.786 457 3HG2 ILE 91 3HG2 ILE 91 15.538 4.989 2.265 458 1HD1 ILE 91 1HD1 ILE 91 20.303 5.981 1.957 459 2HD1 ILE 91 2HD1 ILE 91 20.092 7.047 3.365 460 3HD1 ILE 91 3HD1 ILE 91 19.331 5.439 3.346 461 H LYS 92 H LYS 92 17.213 8.294 0.609 462 HA LYS 92 HA LYS 92 14.838 8.734 -0.936 463 2HB LYS 92 2HB LYS 92 16.471 9.473 -2.670 464 2HG LYS 92 2HG LYS 92 17.282 10.697 -0.019 465 2HD LYS 92 2HD LYS 92 16.319 12.634 -1.812 466 2HE LYS 92 2HE LYS 92 18.903 12.912 -2.257 467 1HZ LYS 92 1HZ LYS 92 18.913 13.187 0.425 468 2HZ LYS 92 2HZ LYS 92 18.413 14.318 -0.642 469 3HZ LYS 92 3HZ LYS 92 17.326 13.322 0.061 470 H TYR 93 H TYR 93 15.478 7.940 -3.499 471 HA TYR 93 HA TYR 93 14.961 5.128 -3.306 472 2HB TYR 93 2HB TYR 93 14.106 7.081 -4.933 473 HD1 TYR 93 1HD TYR 93 15.820 5.135 -7.401 474 HD2 TYR 93 2HD TYR 93 16.050 8.773 -5.161 475 HE1 TYR 93 1HE TYR 93 17.446 6.092 -9.106 476 HE2 TYR 93 2HE TYR 93 17.675 9.717 -6.873 477 HH TYR 93 HH TYR 93 18.429 7.927 -9.818 478 H ASN 94 H ASN 94 16.334 3.431 -3.691 479 HA ASN 94 HA ASN 94 19.015 4.193 -4.553 480 2HB ASN 94 2HB ASN 94 19.851 2.273 -3.183 481 1HD2 ASN 94 1HD2 ASN 94 16.987 4.061 -2.030 482 2HD2 ASN 94 2HD2 ASN 94 17.774 4.940 -0.762 483 H THR 95 H THR 95 16.148 2.735 -5.454 484 HA THR 95 HA THR 95 15.607 1.437 -7.190 485 HB THR 95 HB THR 95 18.534 0.802 -7.714 486 HG1 THR 95 1HG THR 95 16.977 3.229 -8.278 487 1HG2 THR 95 1HG2 THR 95 15.971 0.927 -9.237 488 2HG2 THR 95 2HG2 THR 95 17.345 1.725 -10.039 489 3HG2 THR 95 3HG2 THR 95 17.451 0.005 -9.593 490 H THR 96 H THR 96 16.098 -1.000 -8.048 491 HA THR 96 HA THR 96 16.127 -3.169 -7.538 492 HB THR 96 HB THR 96 17.484 -2.390 -4.908 493 HG1 THR 96 1HG THR 96 18.345 -1.507 -7.061 494 1HG2 THR 96 1HG2 THR 96 18.533 -4.682 -6.393 495 2HG2 THR 96 2HG2 THR 96 17.942 -4.622 -4.715 496 3HG2 THR 96 3HG2 THR 96 16.802 -4.912 -6.050 497 H ARG 97 H ARG 97 15.410 -1.249 -4.546 498 HA ARG 97 HA ARG 97 13.513 -3.143 -3.718 499 2HB ARG 97 2HB ARG 97 14.523 -1.796 -2.006 500 2HG ARG 97 2HG ARG 97 13.660 0.851 -2.393 501 2HD ARG 97 2HD ARG 97 16.268 0.897 -3.290 502 HE ARG 97 HE ARG 97 15.014 1.452 -0.877 503 1HH1 ARG 97 2HH2 ARG 97 18.065 -0.059 -1.765 504 2HH1 ARG 97 1HH2 ARG 97 18.881 0.442 -0.323 505 1HH2 ARG 97 2HH1 ARG 97 16.090 2.114 1.027 506 2HH2 ARG 97 1HH1 ARG 97 17.750 1.687 1.277 507 H ASN 98 H ASN 98 11.925 -3.445 -5.365 508 HA ASN 98 HA ASN 98 10.242 -1.102 -5.766 509 2HB ASN 98 2HB ASN 98 11.236 -1.368 -7.915 510 1HD2 ASN 98 1HD2 ASN 98 9.728 -4.555 -7.688 511 2HD2 ASN 98 2HD2 ASN 98 11.112 -5.500 -8.128 512 H ALA 99 H ALA 99 7.967 -1.564 -5.636 513 HA ALA 99 HA ALA 99 7.339 -4.345 -4.922 514 1HB ALA 99 1HB ALA 99 6.914 -1.889 -3.558 515 2HB ALA 99 2HB ALA 99 5.320 -2.431 -4.137 516 3HB ALA 99 3HB ALA 99 6.307 -3.502 -3.114 517 H TYR 100 H TYR 100 4.898 -4.848 -5.401 518 HA TYR 100 HA TYR 100 4.059 -3.542 -7.880 519 2HB TYR 100 2HB TYR 100 5.031 -5.454 -8.865 520 HD1 TYR 100 1HD TYR 100 6.975 -5.530 -7.079 521 HD2 TYR 100 2HD TYR 100 3.561 -8.108 -7.044 522 HE1 TYR 100 1HE TYR 100 8.249 -7.211 -5.657 523 HE2 TYR 100 2HE TYR 100 4.846 -9.780 -5.622 524 HH TYR 100 HH TYR 100 8.259 -9.372 -5.006 525 H ARG 101 H ARG 101 1.803 -3.581 -8.242 526 HA ARG 101 HA ARG 101 0.275 -4.935 -6.184 527 2HB ARG 101 2HB ARG 101 -1.216 -2.628 -6.615 528 2HG ARG 101 2HG ARG 101 0.980 -2.873 -4.510 529 2HD ARG 101 2HD ARG 101 -0.812 -0.830 -4.898 530 HE ARG 101 HE ARG 101 -2.897 -1.517 -4.133 531 1HH1 ARG 101 2HH2 ARG 101 -0.440 -3.447 -2.514 532 2HH1 ARG 101 1HH2 ARG 101 -1.584 -4.354 -1.582 533 1HH2 ARG 101 2HH1 ARG 101 -4.407 -2.712 -2.902 534 2HH2 ARG 101 1HH1 ARG 101 -3.856 -3.932 -1.805 535 H GLU 102 H GLU 102 -0.133 -6.496 -7.954 536 HA GLU 102 HA GLU 102 -1.189 -5.678 -10.392 537 2HB GLU 102 2HB GLU 102 -1.293 -8.330 -8.900 538 2HG GLU 102 2HG GLU 102 -1.616 -8.960 -11.553 539 H CYS 103 H CYS 103 -3.378 -5.741 -11.209 540 HA CYS 103 HA CYS 103 -5.350 -5.505 -9.057 541 2HB CYS 103 2HB CYS 103 -6.227 -4.422 -11.589 542 H LEU 104 H LEU 104 -7.196 -6.827 -9.166 543 HA LEU 104 HA LEU 104 -7.024 -9.066 -10.921 544 2HB LEU 104 2HB LEU 104 -9.482 -9.193 -9.704 545 HG LEU 104 HG LEU 104 -6.818 -10.041 -8.536 546 1HD1 LEU 104 1HD1 LEU 104 -9.511 -10.132 -7.424 547 2HD1 LEU 104 2HD1 LEU 104 -8.771 -11.746 -7.549 548 3HD1 LEU 104 3HD1 LEU 104 -7.938 -10.452 -6.655 549 1HD2 LEU 104 1HD2 LEU 104 -8.267 -10.992 -10.777 550 2HD2 LEU 104 2HD2 LEU 104 -6.816 -11.689 -10.016 551 3HD2 LEU 104 3HD2 LEU 104 -8.436 -12.206 -9.486 552 H GLU 105 H GLU 105 -8.803 -9.764 -12.380 553 HA GLU 105 HA GLU 105 -9.508 -7.574 -14.037 554 2HB GLU 105 2HB GLU 105 -10.489 -10.434 -14.342 555 2HG GLU 105 2HG GLU 105 -9.851 -8.126 -16.226 556 H ASN 106 H ASN 106 -10.779 -8.560 -11.165 557 HA ASN 106 HA ASN 106 -13.537 -8.429 -11.990 558 2HB ASN 106 2HB ASN 106 -13.031 -8.420 -9.083 559 1HD2 ASN 106 1HD2 ASN 106 -13.327 -11.130 -11.329 560 2HD2 ASN 106 2HD2 ASN 106 -14.978 -11.533 -10.994 561 H GLY 107 H GLY 107 -11.049 -6.276 -11.403 562 1HA GLY 107 1HA GLY 107 -11.146 -4.006 -11.219 563 2HA GLY 107 2HA GLY 107 -12.856 -4.092 -10.848 564 H THR 108 H THR 108 -10.069 -5.761 -9.240 565 HA THR 108 HA THR 108 -10.637 -4.173 -6.831 566 HB THR 108 HB THR 108 -10.368 -6.340 -5.544 567 HG1 THR 108 1HG THR 108 -10.659 -7.412 -8.257 568 1HG2 THR 108 1HG2 THR 108 -12.514 -6.395 -7.732 569 2HG2 THR 108 2HG2 THR 108 -12.510 -7.430 -6.284 570 3HG2 THR 108 3HG2 THR 108 -12.695 -5.668 -6.117 571 H TRP 109 H TRP 109 -8.800 -4.524 -5.154 572 HA TRP 109 HA TRP 109 -6.348 -4.023 -6.626 573 2HB TRP 109 2HB TRP 109 -5.659 -3.614 -4.075 574 HD1 TRP 109 HD TRP 109 -7.874 -0.852 -3.943 575 HE1 TRP 109 1HE TRP 109 -7.151 1.282 -5.317 576 HE3 TRP 109 3HE TRP 109 -4.482 -3.245 -6.880 577 HZ2 TRP 109 2HZ TRP 109 -5.284 1.719 -7.430 578 HZ3 TRP 109 3HZ TRP 109 -3.252 -1.891 -8.573 579 HH2 TRP 109 HH TRP 109 -3.608 0.508 -8.874 580 H ALA 110 H ALA 110 -4.403 -4.891 -4.841 581 HA ALA 110 HA ALA 110 -4.674 -7.772 -5.139 582 1HB ALA 110 1HB ALA 110 -2.277 -7.803 -4.924 583 2HB ALA 110 2HB ALA 110 -2.688 -6.450 -6.005 584 3HB ALA 110 3HB ALA 110 -2.250 -6.133 -4.309 585 H SER 111 H SER 111 -2.462 -7.891 -2.930 586 HA SER 111 HA SER 111 -4.398 -8.175 -0.808 587 2HB SER 111 2HB SER 111 -2.161 -9.191 0.288 588 HG SER 111 HG SER 111 -4.262 -10.254 -0.714 589 H ARG 112 H ARG 112 -0.872 -7.345 -0.663 590 HA ARG 112 HA ARG 112 -1.471 -4.742 0.304 591 2HB ARG 112 2HB ARG 112 -1.796 -5.907 2.412 592 2HG ARG 112 2HG ARG 112 0.958 -7.099 2.413 593 2HD ARG 112 2HD ARG 112 -1.788 -7.780 3.528 594 HE ARG 112 HE ARG 112 0.230 -9.704 2.800 595 1HH1 ARG 112 2HH2 ARG 112 -1.927 -8.855 5.448 596 2HH1 ARG 112 1HH2 ARG 112 -2.016 -10.472 6.063 597 1HH2 ARG 112 2HH1 ARG 112 0.113 -11.837 3.611 598 2HH2 ARG 112 1HH1 ARG 112 -0.848 -12.179 5.011 599 H VAL 113 H VAL 113 -0.094 -5.464 -1.978 600 HA VAL 113 HA VAL 113 1.844 -5.389 -3.054 601 HB VAL 113 HB VAL 113 1.543 -3.081 -2.074 602 1HG1 VAL 113 1HG1 VAL 113 1.993 -3.228 0.201 603 2HG1 VAL 113 2HG1 VAL 113 3.427 -4.254 -0.040 604 3HG1 VAL 113 3HG1 VAL 113 3.498 -2.520 -0.433 605 1HG2 VAL 113 1HG2 VAL 113 4.472 -3.380 -2.372 606 2HG2 VAL 113 2HG2 VAL 113 3.497 -4.109 -3.671 607 3HG2 VAL 113 3HG2 VAL 113 3.317 -2.380 -3.286 608 H ASN 114 H ASN 114 4.455 -5.464 -2.663 609 HA ASN 114 HA ASN 114 5.125 -7.036 -0.390 610 2HB ASN 114 2HB ASN 114 5.138 -8.258 -3.198 611 1HD2 ASN 114 1HD2 ASN 114 6.013 -8.650 0.224 612 2HD2 ASN 114 2HD2 ASN 114 7.308 -9.777 -0.004 613 H TYR 115 H TYR 115 7.535 -7.335 -0.293 614 HA TYR 115 HA TYR 115 9.265 -6.568 -2.329 615 2HB TYR 115 2HB TYR 115 8.897 -4.264 -2.180 616 HD1 TYR 115 1HD TYR 115 7.344 -2.549 -1.727 617 HD2 TYR 115 2HD TYR 115 7.750 -5.800 1.025 618 HE1 TYR 115 1HE TYR 115 5.301 -1.734 -0.452 619 HE2 TYR 115 2HE TYR 115 5.706 -4.974 2.291 620 HH TYR 115 HH TYR 115 4.133 -1.941 1.391 621 H SER 116 H SER 116 11.086 -7.655 -1.789 622 HA SER 116 HA SER 116 11.477 -8.245 1.003 623 2HB SER 116 2HB SER 116 13.229 -9.215 -1.277 624 HG SER 116 HG SER 116 13.649 -10.905 0.093 625 H HIS 117 H HIS 117 12.214 -5.707 -0.984 626 HA HIS 117 HA HIS 117 14.745 -5.247 0.413 627 2HB HIS 117 2HB HIS 117 15.866 -4.759 -1.466 628 HD1 HIS 117 1HD HIS 117 16.416 -7.012 -2.441 629 HD2 HIS 117 2HD HIS 117 12.534 -5.750 -3.411 630 HE1 HIS 117 1HE HIS 117 15.498 -8.727 -4.092 631 H CYS 118 H CYS 118 11.561 -4.472 0.262 632 HA CYS 118 HA CYS 118 12.109 -1.634 0.748 633 2HB CYS 118 2HB CYS 118 9.342 -2.497 0.116 634 H GLU 119 H GLU 119 11.432 -4.664 2.098 635 HA GLU 119 HA GLU 119 9.560 -3.787 4.050 636 2HB GLU 119 2HB GLU 119 11.163 -6.286 4.466 637 2HG GLU 119 2HG GLU 119 8.536 -6.993 4.459 638 HA PRO 120 HA PRO 120 13.562 -3.880 6.616 639 2HB PRO 120 2HB PRO 120 15.197 -5.362 5.958 640 2HG PRO 120 2HG PRO 120 15.043 -6.055 3.764 641 2HD PRO 120 2HD PRO 120 12.803 -5.707 3.383 642 H ILE 121 H ILE 121 13.287 -1.919 7.479 643 HA ILE 121 HA ILE 121 13.972 0.308 5.729 644 HB ILE 121 HB ILE 121 12.771 0.545 8.465 645 2HG1 ILE 121 2HG1 ILE 121 10.554 0.225 7.601 646 1HG2 ILE 121 1HG2 ILE 121 13.067 2.676 7.780 647 2HG2 ILE 121 2HG2 ILE 121 13.100 2.239 6.055 648 3HG2 ILE 121 3HG2 ILE 121 11.544 2.373 6.911 649 1HD1 ILE 121 1HD1 ILE 121 11.837 -0.531 4.939 650 2HD1 ILE 121 2HD1 ILE 121 10.098 -0.445 5.311 651 3HD1 ILE 121 3HD1 ILE 121 11.070 1.044 5.253 652 H LEU 122 H LEU 122 14.900 2.269 7.260 653 HA LEU 122 HA LEU 122 16.761 3.056 8.151 654 2HB LEU 122 2HB LEU 122 17.108 2.508 10.307 655 HG LEU 122 HG LEU 122 14.599 0.964 9.653 656 1HD1 LEU 122 1HD1 LEU 122 14.217 0.796 12.117 657 2HD1 LEU 122 2HD1 LEU 122 15.531 -0.236 11.503 658 3HD1 LEU 122 3HD1 LEU 122 15.913 1.275 12.363 659 1HD2 LEU 122 1HD2 LEU 122 15.270 3.693 10.593 660 2HD2 LEU 122 2HD2 LEU 122 13.915 3.114 9.594 661 3HD2 LEU 122 3HD2 LEU 122 13.866 2.916 11.363 662 H ASP 123 H ASP 123 18.187 2.991 6.419 663 HA ASP 123 HA ASP 123 20.386 1.332 6.727 664 2HB ASP 123 2HB ASP 123 18.940 0.707 4.141 665 H ASP 124 H ASP 124 21.376 3.456 6.496 666 HA ASP 124 HA ASP 124 21.270 4.446 3.758 667 2HB ASP 124 2HB ASP 124 20.066 6.056 5.103 668 H LYS 125 H LYS 125 23.324 6.114 3.542 669 HA LYS 125 HA LYS 125 25.525 6.223 3.358 670 2HB LYS 125 2HB LYS 125 26.737 5.788 5.679 671 2HG LYS 125 2HG LYS 125 25.616 8.070 6.427 672 2HD LYS 125 2HD LYS 125 27.539 7.385 4.307 673 2HE LYS 125 2HE LYS 125 25.595 9.468 3.713 674 1HZ LYS 125 1HZ LYS 125 27.584 10.999 3.139 675 2HZ LYS 125 2HZ LYS 125 26.866 11.098 4.602 676 3HZ LYS 125 3HZ LYS 125 28.279 10.295 4.438 677 H GLN 126 H GLN 126 24.878 4.117 2.018 678 HA GLN 126 HA GLN 126 25.530 1.639 2.964 679 2HB GLN 126 2HB GLN 126 26.294 1.950 0.159 680 2HG GLN 126 2HG GLN 126 23.650 0.853 0.569 681 1HE2 GLN 126 1HE2 GLN 126 26.219 -1.219 1.438 682 2HE2 GLN 126 2HE2 GLN 126 26.556 -1.918 -0.111 683 H ARG 127 H ARG 127 27.419 0.918 3.838 684 HA ARG 127 HA ARG 127 29.793 2.349 3.450 685 2HB ARG 127 2HB ARG 127 30.507 -0.177 4.486 686 2HG ARG 127 2HG ARG 127 30.119 1.056 6.752 687 2HD ARG 127 2HD ARG 127 32.211 1.124 5.036 688 HE ARG 127 HE ARG 127 30.942 3.760 4.726 689 1HH1 ARG 127 2HH2 ARG 127 33.949 1.939 4.558 690 2HH1 ARG 127 1HH2 ARG 127 34.728 3.077 3.511 691 1HH2 ARG 127 2HH1 ARG 127 31.969 5.262 3.345 692 2HH2 ARG 127 1HH1 ARG 127 33.595 4.980 2.816 693 H LYS 128 H LYS 128 30.231 2.335 1.152 694 HA LYS 128 HA LYS 128 31.116 -0.289 0.177 695 2HB LYS 128 2HB LYS 128 30.309 1.559 -1.930 696 2HG LYS 128 2HG LYS 128 30.669 -1.122 -1.711 697 2HD LYS 128 2HD LYS 128 27.786 -1.372 -1.997 698 2HE LYS 128 2HE LYS 128 28.530 -2.826 0.249 699 1HZ LYS 128 1HZ LYS 128 29.313 -4.325 -1.848 700 2HZ LYS 128 2HZ LYS 128 27.784 -4.211 -1.285 701 3HZ LYS 128 3HZ LYS 128 28.265 -3.280 -2.537 702 H TYR 129 H TYR 129 32.760 0.004 -1.698 703 HA TYR 129 HA TYR 129 34.792 0.671 -2.284 704 2HB TYR 129 2HB TYR 129 34.796 3.456 -1.794 705 HD1 TYR 129 1HD TYR 129 32.313 1.656 -3.955 706 HD2 TYR 129 2HD TYR 129 35.935 3.926 -3.772 707 HE1 TYR 129 1HE TYR 129 32.411 1.719 -6.495 708 HE2 TYR 129 2HE TYR 129 36.021 3.981 -6.312 709 HH TYR 129 HH TYR 129 33.342 2.858 -8.230 710 H ASP 130 H ASP 130 36.851 1.959 -1.550 711 HA ASP 130 HA ASP 130 36.898 2.463 1.261 712 2HB ASP 130 2HB ASP 130 37.253 0.035 1.253 713 H LEU 131 H LEU 131 38.743 3.812 1.788 714 HA LEU 131 HA LEU 131 39.808 5.322 -0.257 715 2HB LEU 131 2HB LEU 131 41.249 4.960 2.341 716 HG LEU 131 HG LEU 131 41.134 7.019 0.338 717 1HD1 LEU 131 1HD1 LEU 131 39.636 7.602 2.809 718 2HD1 LEU 131 2HD1 LEU 131 40.880 8.801 2.382 719 3HD1 LEU 131 3HD1 LEU 131 39.595 8.396 1.217 720 1HD2 LEU 131 1HD2 LEU 131 42.754 7.990 2.293 721 2HD2 LEU 131 2HD2 LEU 131 42.740 6.255 2.694 722 3HD2 LEU 131 3HD2 LEU 131 43.245 6.790 1.073 723 H HIS 132 H HIS 132 42.002 5.474 -1.113 724 HA HIS 132 HA HIS 132 43.297 2.845 -1.128 725 2HB HIS 132 2HB HIS 132 42.117 3.797 -3.262 726 HD1 HIS 132 1HD HIS 132 42.245 6.520 -3.282 727 HD2 HIS 132 2HD HIS 132 45.690 4.466 -4.507 728 HE1 HIS 132 1HE HIS 132 43.677 8.215 -4.543 729 HE2 HIS 132 2HE HIS 132 45.804 6.908 -5.223 730 H TYR 133 H TYR 133 45.667 2.850 -1.291 731 HA TYR 133 HA TYR 133 46.817 4.733 0.445 732 2HB TYR 133 2HB TYR 133 47.740 2.600 -1.555 733 HD1 TYR 133 1HD TYR 133 49.183 4.608 1.283 734 HD2 TYR 133 2HD TYR 133 49.879 2.599 -2.430 735 HE1 TYR 133 1HE TYR 133 51.631 5.289 1.365 736 HE2 TYR 133 2HE TYR 133 52.325 3.287 -2.334 737 HH TYR 133 HH TYR 133 53.919 3.949 -0.018 Start of MODEL 4 1 1H GLY 15 H GLY 15 16.967 -25.451 -25.160 2 1HA GLY 15 1HA GLY 15 16.708 -24.088 -23.381 3 2HA GLY 15 2HA GLY 15 15.309 -25.088 -23.043 4 H SER 16 H SER 16 15.524 -26.951 -21.580 5 HA SER 16 HA SER 16 16.188 -27.911 -19.752 6 2HB SER 16 2HB SER 16 18.913 -27.736 -19.443 7 HG SER 16 HG SER 16 18.254 -29.432 -21.556 8 H GLY 17 H GLY 17 17.190 -27.520 -17.503 9 1HA GLY 17 1HA GLY 17 18.327 -25.151 -16.678 10 2HA GLY 17 2HA GLY 17 16.601 -24.854 -16.681 11 H MET 18 H MET 18 17.906 -24.738 -14.256 12 HA MET 18 HA MET 18 16.533 -26.754 -12.841 13 2HB MET 18 2HB MET 18 18.455 -28.153 -13.303 14 2HG MET 18 2HG MET 18 20.634 -26.543 -12.248 15 1HE MET 18 1HE MET 18 21.942 -25.954 -15.524 16 2HE MET 18 2HE MET 18 20.988 -26.981 -16.621 17 3HE MET 18 3HE MET 18 20.177 -25.748 -15.625 18 H LYS 19 H LYS 19 15.641 -25.504 -11.258 19 HA LYS 19 HA LYS 19 17.350 -24.068 -9.487 20 2HB LYS 19 2HB LYS 19 17.256 -22.422 -11.288 21 2HG LYS 19 2HG LYS 19 14.500 -23.281 -11.448 22 2HD LYS 19 2HD LYS 19 14.655 -20.916 -9.963 23 2HE LYS 19 2HE LYS 19 14.873 -20.298 -12.837 24 1HZ LYS 19 1HZ LYS 19 12.817 -18.825 -11.381 25 2HZ LYS 19 2HZ LYS 19 13.118 -18.848 -12.987 26 3HZ LYS 19 3HZ LYS 19 12.412 -20.135 -12.271 27 H GLU 20 H GLU 20 15.902 -22.912 -7.765 28 HA GLU 20 HA GLU 20 13.250 -23.448 -7.525 29 2HB GLU 20 2HB GLU 20 13.554 -25.808 -7.515 30 2HG GLU 20 2HG GLU 20 15.596 -25.718 -5.291 31 H THR 21 H THR 21 16.442 -23.383 -5.876 32 HA THR 21 HA THR 21 15.694 -22.643 -3.347 33 HB THR 21 HB THR 21 18.011 -23.181 -4.139 34 HG1 THR 21 1HG THR 21 18.691 -21.820 -2.502 35 1HG2 THR 21 1HG2 THR 21 18.037 -20.307 -5.183 36 2HG2 THR 21 2HG2 THR 21 19.351 -21.504 -5.279 37 3HG2 THR 21 3HG2 THR 21 17.879 -21.717 -6.257 38 H ALA 22 H ALA 22 15.360 -20.687 -2.225 39 HA ALA 22 HA ALA 22 15.182 -18.237 -3.672 40 1HB ALA 22 1HB ALA 22 12.871 -17.952 -3.789 41 2HB ALA 22 2HB ALA 22 13.038 -19.676 -4.197 42 3HB ALA 22 3HB ALA 22 12.550 -19.194 -2.555 43 H ALA 23 H ALA 23 13.436 -19.728 -0.851 44 HA ALA 23 HA ALA 23 13.455 -19.242 1.306 45 1HB ALA 23 1HB ALA 23 15.613 -19.799 1.772 46 2HB ALA 23 2HB ALA 23 16.263 -18.807 0.445 47 3HB ALA 23 3HB ALA 23 15.815 -18.044 1.989 48 H ALA 24 H ALA 24 12.929 -17.522 2.774 49 HA ALA 24 HA ALA 24 13.431 -14.823 2.127 50 1HB ALA 24 1HB ALA 24 11.295 -16.011 0.690 51 2HB ALA 24 2HB ALA 24 10.547 -15.015 1.962 52 3HB ALA 24 3HB ALA 24 11.692 -14.281 0.814 53 H LYS 25 H LYS 25 13.604 -13.930 4.116 54 HA LYS 25 HA LYS 25 11.534 -14.186 6.018 55 2HB LYS 25 2HB LYS 25 12.277 -16.336 6.564 56 2HG LYS 25 2HG LYS 25 14.901 -16.482 7.168 57 2HD LYS 25 2HD LYS 25 14.506 -16.598 4.225 58 2HE LYS 25 2HE LYS 25 15.977 -17.967 6.213 59 1HZ LYS 25 1HZ LYS 25 13.723 -19.245 6.236 60 2HZ LYS 25 2HZ LYS 25 14.341 -19.964 4.906 61 3HZ LYS 25 3HZ LYS 25 15.144 -20.044 6.326 62 H PHE 26 H PHE 26 11.475 -12.127 6.726 63 HA PHE 26 HA PHE 26 13.413 -10.936 8.195 64 2HB PHE 26 2HB PHE 26 13.729 -9.296 5.839 65 HD1 PHE 26 1HD PHE 26 16.142 -11.644 5.232 66 HD2 PHE 26 2HD PHE 26 15.000 -8.883 8.245 67 HE1 PHE 26 1HE PHE 26 18.504 -11.595 6.081 68 HE2 PHE 26 2HE PHE 26 17.362 -8.834 9.094 69 HZ PHE 26 HZ PHE 26 19.085 -10.191 8.003 70 H GLU 27 H GLU 27 12.801 -8.804 8.883 71 HA GLU 27 HA GLU 27 11.416 -7.184 9.294 72 2HB GLU 27 2HB GLU 27 9.845 -6.587 7.129 73 2HG GLU 27 2HG GLU 27 12.515 -5.820 8.120 74 H ARG 28 H ARG 28 9.069 -6.626 9.710 75 HA ARG 28 HA ARG 28 7.737 -8.612 10.839 76 2HB ARG 28 2HB ARG 28 5.599 -7.106 10.053 77 2HG ARG 28 2HG ARG 28 7.373 -7.159 12.262 78 2HD ARG 28 2HD ARG 28 6.957 -4.459 12.614 79 HE ARG 28 HE ARG 28 9.234 -6.129 12.288 80 1HH1 ARG 28 2HH2 ARG 28 8.358 -2.748 11.866 81 2HH1 ARG 28 1HH2 ARG 28 9.961 -2.163 12.163 82 1HH2 ARG 28 2HH1 ARG 28 11.349 -5.358 12.680 83 2HH2 ARG 28 1HH1 ARG 28 11.674 -3.657 12.629 84 H GLN 29 H GLN 29 5.576 -9.688 10.223 85 HA GLN 29 HA GLN 29 5.740 -10.479 7.422 86 2HB GLN 29 2HB GLN 29 4.369 -12.082 9.606 87 2HG GLN 29 2HG GLN 29 5.835 -13.556 7.576 88 1HE2 GLN 29 1HE2 GLN 29 5.019 -15.414 8.179 89 2HE2 GLN 29 2HE2 GLN 29 3.345 -15.800 8.397 90 H HIS 30 H HIS 30 3.359 -10.088 10.149 91 HA HIS 30 HA HIS 30 1.705 -8.372 8.773 92 2HB HIS 30 2HB HIS 30 1.503 -10.781 7.544 93 HD1 HIS 30 1HD HIS 30 0.818 -13.051 8.337 94 HD2 HIS 30 2HD HIS 30 -1.646 -10.027 9.880 95 HE1 HIS 30 1HE HIS 30 -1.026 -14.230 9.648 96 H MET 31 H MET 31 0.972 -7.288 10.526 97 HA MET 31 HA MET 31 -0.793 -8.290 12.295 98 2HB MET 31 2HB MET 31 1.373 -8.101 14.190 99 2HG MET 31 2HG MET 31 0.725 -10.837 13.858 100 1HE MET 31 1HE MET 31 -0.791 -11.871 15.784 101 2HE MET 31 2HE MET 31 0.923 -11.630 16.195 102 3HE MET 31 3HE MET 31 -0.342 -11.232 17.383 103 H ASP 32 H ASP 32 -1.509 -6.671 13.799 104 HA ASP 32 HA ASP 32 -1.785 -4.660 14.560 105 2HB ASP 32 2HB ASP 32 1.237 -4.438 14.187 106 H SER 33 H SER 33 -2.019 -2.368 13.812 107 HA SER 33 HA SER 33 -0.855 -1.756 11.262 108 2HB SER 33 2HB SER 33 -2.906 -1.430 10.070 109 HG SER 33 HG SER 33 -3.243 -3.834 11.655 110 HA PRO 34 HA PRO 34 -1.131 2.220 13.010 111 2HB PRO 34 2HB PRO 34 0.447 3.063 11.559 112 2HG PRO 34 2HG PRO 34 0.667 1.889 9.585 113 2HD PRO 34 2HD PRO 34 -0.116 -0.169 10.247 114 H ASP 35 H ASP 35 -2.178 4.626 12.077 115 HA ASP 35 HA ASP 35 -4.068 5.685 12.400 116 2HB ASP 35 2HB ASP 35 -5.613 3.900 10.578 117 H LEU 36 H LEU 36 -6.852 4.703 11.989 118 HA LEU 36 HA LEU 36 -7.418 2.376 13.365 119 2HB LEU 36 2HB LEU 36 -8.164 4.345 15.346 120 HG LEU 36 HG LEU 36 -6.484 1.829 15.465 121 1HD1 LEU 36 1HD1 LEU 36 -5.662 3.260 17.199 122 2HD1 LEU 36 2HD1 LEU 36 -7.314 3.691 17.703 123 3HD1 LEU 36 3HD1 LEU 36 -6.715 2.032 17.945 124 1HD2 LEU 36 1HD2 LEU 36 -8.969 1.883 16.983 125 2HD2 LEU 36 2HD2 LEU 36 -9.233 2.160 15.243 126 3HD2 LEU 36 3HD2 LEU 36 -8.374 0.700 15.793 127 H GLY 37 H GLY 37 -8.630 5.796 13.623 128 1HA GLY 37 1HA GLY 37 -10.887 5.061 11.904 129 2HA GLY 37 2HA GLY 37 -11.236 5.586 13.539 130 H THR 38 H THR 38 -9.664 7.663 14.145 131 HA THR 38 HA THR 38 -10.716 9.836 12.936 132 HB THR 38 HB THR 38 -7.965 9.388 14.200 133 HG1 THR 38 1HG THR 38 -9.309 9.470 15.955 134 1HG2 THR 38 1HG2 THR 38 -8.950 11.745 12.858 135 2HG2 THR 38 2HG2 THR 38 -9.063 12.035 14.611 136 3HG2 THR 38 3HG2 THR 38 -7.499 11.600 13.879 137 H THR 39 H THR 39 -10.602 10.916 11.058 138 HA THR 39 HA THR 39 -10.023 11.403 8.967 139 HB THR 39 HB THR 39 -7.282 10.779 10.169 140 HG1 THR 39 1HG THR 39 -7.357 13.153 10.194 141 1HG2 THR 39 1HG2 THR 39 -7.920 12.287 7.581 142 2HG2 THR 39 2HG2 THR 39 -6.308 12.014 8.284 143 3HG2 THR 39 3HG2 THR 39 -7.233 10.646 7.622 144 H LEU 40 H LEU 40 -11.329 9.682 8.149 145 HA LEU 40 HA LEU 40 -10.660 7.087 7.862 146 2HB LEU 40 2HB LEU 40 -12.791 8.111 7.227 147 HG LEU 40 HG LEU 40 -11.186 9.410 5.121 148 1HD1 LEU 40 1HD1 LEU 40 -13.910 8.403 4.311 149 2HD1 LEU 40 2HD1 LEU 40 -12.639 9.142 3.308 150 3HD1 LEU 40 3HD1 LEU 40 -12.423 7.495 3.947 151 1HD2 LEU 40 1HD2 LEU 40 -13.925 10.313 5.488 152 2HD2 LEU 40 2HD2 LEU 40 -13.061 10.156 7.037 153 3HD2 LEU 40 3HD2 LEU 40 -12.388 11.175 5.742 154 H LEU 41 H LEU 41 -9.608 5.784 6.247 155 HA LEU 41 HA LEU 41 -7.262 7.109 5.211 156 2HB LEU 41 2HB LEU 41 -6.929 5.058 6.360 157 HG LEU 41 HG LEU 41 -9.295 4.118 5.083 158 1HD1 LEU 41 1HD1 LEU 41 -6.814 2.957 3.972 159 2HD1 LEU 41 2HD1 LEU 41 -8.035 1.785 4.524 160 3HD1 LEU 41 3HD1 LEU 41 -8.464 3.012 3.308 161 1HD2 LEU 41 1HD2 LEU 41 -9.335 2.640 6.817 162 2HD2 LEU 41 2HD2 LEU 41 -7.592 2.294 6.718 163 3HD2 LEU 41 3HD2 LEU 41 -8.158 3.808 7.465 164 H GLU 42 H GLU 42 -10.339 7.104 4.188 165 HA GLU 42 HA GLU 42 -9.516 6.776 1.407 166 2HB GLU 42 2HB GLU 42 -12.423 6.587 2.037 167 2HG GLU 42 2HG GLU 42 -11.126 4.385 0.590 168 H GLN 43 H GLN 43 -9.276 9.166 3.139 169 HA GLN 43 HA GLN 43 -11.204 10.963 3.096 170 2HB GLN 43 2HB GLN 43 -8.562 11.924 2.034 171 2HG GLN 43 2HG GLN 43 -10.753 12.992 3.519 172 1HE2 GLN 43 1HE2 GLN 43 -11.208 12.990 5.572 173 2HE2 GLN 43 2HE2 GLN 43 -10.098 12.981 6.902 174 H TYR 44 H TYR 44 -8.899 10.591 0.299 175 HA TYR 44 HA TYR 44 -10.889 10.612 -1.648 176 2HB TYR 44 2HB TYR 44 -11.206 12.966 -0.839 177 HD1 TYR 44 1HD TYR 44 -9.801 13.501 1.147 178 HD2 TYR 44 2HD TYR 44 -8.284 13.841 -2.839 179 HE1 TYR 44 1HE TYR 44 -7.878 14.933 1.992 180 HE2 TYR 44 2HE TYR 44 -6.366 15.272 -1.980 181 HH TYR 44 HH TYR 44 -6.034 15.942 1.493 182 H CYS 45 H CYS 45 -7.558 11.525 -0.671 183 HA CYS 45 HA CYS 45 -5.610 10.975 -1.535 184 2HB CYS 45 2HB CYS 45 -6.043 9.425 -3.828 185 H HIS 46 H HIS 46 -7.923 11.142 -4.353 186 HA HIS 46 HA HIS 46 -7.294 13.704 -5.106 187 2HB HIS 46 2HB HIS 46 -5.372 11.654 -6.120 188 HD1 HIS 46 1HD HIS 46 -5.264 15.142 -7.440 189 HD2 HIS 46 2HD HIS 46 -6.362 11.330 -8.803 190 HE1 HIS 46 1HE HIS 46 -5.460 15.319 -9.978 191 H ARG 47 H ARG 47 -7.290 10.690 -7.129 192 HA ARG 47 HA ARG 47 -9.221 11.644 -8.828 193 2HB ARG 47 2HB ARG 47 -8.592 8.727 -8.142 194 2HG ARG 47 2HG ARG 47 -9.155 8.527 -10.686 195 2HD ARG 47 2HD ARG 47 -11.631 9.238 -9.116 196 HE ARG 47 HE ARG 47 -11.399 6.590 -10.239 197 1HH1 ARG 47 2HH2 ARG 47 -11.790 9.960 -11.178 198 2HH1 ARG 47 1HH2 ARG 47 -12.598 9.584 -12.663 199 1HH2 ARG 47 2HH1 ARG 47 -12.465 6.095 -12.199 200 2HH2 ARG 47 1HH1 ARG 47 -12.985 7.372 -13.248 201 H THR 48 H THR 48 -9.728 8.741 -6.701 202 HA THR 48 HA THR 48 -11.752 7.914 -6.034 203 HB THR 48 HB THR 48 -10.553 9.156 -4.155 204 HG1 THR 48 1HG THR 48 -13.483 9.167 -4.348 205 1HG2 THR 48 1HG2 THR 48 -11.211 11.317 -3.499 206 2HG2 THR 48 2HG2 THR 48 -11.287 11.488 -5.268 207 3HG2 THR 48 3HG2 THR 48 -12.776 11.200 -4.338 208 H THR 49 H THR 49 -13.099 7.863 -7.851 209 HA THR 49 HA THR 49 -14.613 10.234 -8.506 210 HB THR 49 HB THR 49 -13.921 8.856 -10.355 211 HG1 THR 49 1HG THR 49 -16.152 7.925 -10.909 212 1HG2 THR 49 1HG2 THR 49 -14.921 6.396 -10.348 213 2HG2 THR 49 2HG2 THR 49 -13.373 6.702 -9.524 214 3HG2 THR 49 3HG2 THR 49 -14.878 6.584 -8.579 215 H ILE 50 H ILE 50 -16.958 10.336 -8.515 216 HA ILE 50 HA ILE 50 -18.770 10.424 -7.206 217 HB ILE 50 HB ILE 50 -18.451 7.472 -7.737 218 2HG1 ILE 50 2HG1 ILE 50 -18.562 9.052 -9.691 219 1HG2 ILE 50 1HG2 ILE 50 -21.063 7.635 -7.458 220 2HG2 ILE 50 2HG2 ILE 50 -20.004 7.366 -6.053 221 3HG2 ILE 50 3HG2 ILE 50 -20.647 8.992 -6.385 222 1HD1 ILE 50 1HD1 ILE 50 -19.808 7.536 -10.906 223 2HD1 ILE 50 2HD1 ILE 50 -19.667 6.591 -9.404 224 3HD1 ILE 50 3HD1 ILE 50 -21.143 7.531 -9.728 225 H GLY 51 H GLY 51 -17.066 11.159 -5.461 226 1HA GLY 51 1HA GLY 51 -16.188 9.544 -3.422 227 2HA GLY 51 2HA GLY 51 -16.621 11.234 -3.258 228 H ASN 52 H ASN 52 -17.155 10.138 -1.000 229 HA ASN 52 HA ASN 52 -18.828 10.017 0.425 230 2HB ASN 52 2HB ASN 52 -20.984 9.232 -1.504 231 1HD2 ASN 52 1HD2 ASN 52 -21.783 8.732 0.636 232 2HD2 ASN 52 2HD2 ASN 52 -22.462 9.978 1.629 233 H PHE 53 H PHE 53 -19.312 7.815 -2.442 234 HA PHE 53 HA PHE 53 -19.566 5.579 -0.568 235 2HB PHE 53 2HB PHE 53 -20.909 4.592 -2.289 236 HD1 PHE 53 1HD PHE 53 -20.659 7.816 -4.036 237 HD2 PHE 53 2HD PHE 53 -22.808 5.541 -1.170 238 HE1 PHE 53 1HE PHE 53 -22.522 9.497 -4.099 239 HE2 PHE 53 2HE PHE 53 -24.672 7.222 -1.233 240 HZ PHE 53 HZ PHE 53 -24.506 9.180 -2.696 241 H SER 54 H SER 54 -18.309 6.176 -3.934 242 HA SER 54 HA SER 54 -15.740 5.736 -3.604 243 2HB SER 54 2HB SER 54 -15.971 3.039 -4.344 244 HG SER 54 HG SER 54 -14.374 3.964 -2.885 245 H GLY 55 H GLY 55 -18.479 4.177 -5.412 246 1HA GLY 55 1HA GLY 55 -18.934 5.094 -7.624 247 2HA GLY 55 2HA GLY 55 -17.207 5.104 -7.918 248 HA PRO 56 HA PRO 56 -19.169 0.926 -8.826 249 2HB PRO 56 2HB PRO 56 -21.261 1.237 -9.735 250 2HG PRO 56 2HG PRO 56 -21.772 3.427 -10.251 251 2HD PRO 56 2HD PRO 56 -20.357 4.525 -8.810 252 H TYR 57 H TYR 57 -18.527 2.672 -11.828 253 HA TYR 57 HA TYR 57 -17.114 2.122 -13.479 254 2HB TYR 57 2HB TYR 57 -15.750 3.478 -11.867 255 HD1 TYR 57 1HD TYR 57 -15.685 3.714 -9.553 256 HD2 TYR 57 2HD TYR 57 -14.563 -0.034 -11.282 257 HE1 TYR 57 1HE TYR 57 -15.012 2.849 -7.259 258 HE2 TYR 57 2HE TYR 57 -13.894 -0.887 -8.982 259 HH TYR 57 HH TYR 57 -14.841 0.017 -6.382 260 H THR 58 H THR 58 -14.856 0.603 -13.808 261 HA THR 58 HA THR 58 -15.491 -2.068 -12.808 262 HB THR 58 HB THR 58 -15.317 -1.241 -15.752 263 HG1 THR 58 1HG THR 58 -17.307 -2.609 -14.084 264 1HG2 THR 58 1HG2 THR 58 -16.157 -3.804 -15.822 265 2HG2 THR 58 2HG2 THR 58 -14.423 -3.406 -15.886 266 3HG2 THR 58 3HG2 THR 58 -15.164 -3.913 -14.349 267 H TYR 59 H TYR 59 -13.357 0.293 -12.753 268 HA TYR 59 HA TYR 59 -11.085 -1.501 -13.288 269 2HB TYR 59 2HB TYR 59 -10.911 0.407 -14.751 270 HD1 TYR 59 1HD TYR 59 -11.148 2.312 -11.540 271 HD2 TYR 59 2HD TYR 59 -12.690 1.747 -15.490 272 HE1 TYR 59 1HE TYR 59 -12.601 4.381 -11.275 273 HE2 TYR 59 2HE TYR 59 -14.139 3.818 -15.213 274 HH TYR 59 HH TYR 59 -14.508 5.360 -12.142 275 H CYS 60 H CYS 60 -9.087 -0.839 -11.904 276 HA CYS 60 HA CYS 60 -9.742 -1.239 -9.250 277 2HB CYS 60 2HB CYS 60 -7.444 -1.002 -8.771 278 H ASN 61 H ASN 61 -10.180 0.172 -7.538 279 HA ASN 61 HA ASN 61 -10.685 2.879 -8.298 280 2HB ASN 61 2HB ASN 61 -10.915 1.896 -5.444 281 1HD2 ASN 61 1HD2 ASN 61 -11.759 3.484 -4.357 282 2HD2 ASN 61 2HD2 ASN 61 -12.839 4.709 -4.939 283 H THR 62 H THR 62 -10.154 4.331 -5.952 284 HA THR 62 HA THR 62 -7.225 4.187 -5.829 285 HB THR 62 HB THR 62 -8.463 6.276 -6.675 286 HG1 THR 62 1HG THR 62 -6.958 6.375 -4.155 287 1HG2 THR 62 1HG2 THR 62 -9.245 6.320 -3.717 288 2HG2 THR 62 2HG2 THR 62 -9.212 7.781 -4.734 289 3HG2 THR 62 3HG2 THR 62 -10.334 6.454 -5.118 290 H THR 63 H THR 63 -6.116 3.836 -3.969 291 HA THR 63 HA THR 63 -7.167 4.249 -1.411 292 HB THR 63 HB THR 63 -8.656 2.319 -2.189 293 HG1 THR 63 1HG THR 63 -8.096 2.698 0.075 294 1HG2 THR 63 1HG2 THR 63 -5.951 1.126 -2.612 295 2HG2 THR 63 2HG2 THR 63 -7.072 0.113 -1.670 296 3HG2 THR 63 3HG2 THR 63 -7.518 0.647 -3.309 297 H LEU 64 H LEU 64 -5.653 3.744 0.262 298 HA LEU 64 HA LEU 64 -3.034 2.976 -0.827 299 2HB LEU 64 2HB LEU 64 -2.752 5.220 -0.459 300 HG LEU 64 HG LEU 64 -4.990 5.524 0.802 301 1HD1 LEU 64 1HD1 LEU 64 -3.337 4.359 2.892 302 2HD1 LEU 64 2HD1 LEU 64 -4.002 5.939 3.370 303 3HD1 LEU 64 3HD1 LEU 64 -5.095 4.638 2.839 304 1HD2 LEU 64 1HD2 LEU 64 -4.050 7.532 0.331 305 2HD2 LEU 64 2HD2 LEU 64 -3.818 7.554 2.095 306 3HD2 LEU 64 3HD2 LEU 64 -2.472 7.089 1.026 307 H ASP 65 H ASP 65 -2.354 1.069 -0.027 308 HA ASP 65 HA ASP 65 -3.672 0.033 2.279 309 2HB ASP 65 2HB ASP 65 -1.258 -1.323 1.118 310 H GLN 66 H GLN 66 -1.185 -1.552 3.073 311 HA GLN 66 HA GLN 66 -0.305 0.077 5.096 312 2HB GLN 66 2HB GLN 66 1.578 -2.035 4.128 313 2HG GLN 66 2HG GLN 66 1.401 -0.812 6.472 314 1HE2 GLN 66 1HE2 GLN 66 0.846 -1.819 8.694 315 2HE2 GLN 66 2HE2 GLN 66 -0.821 -2.211 8.957 316 H ILE 67 H ILE 67 0.487 0.132 1.736 317 HA ILE 67 HA ILE 67 3.037 1.461 2.255 318 HB ILE 67 HB ILE 67 1.857 -0.060 0.014 319 2HG1 ILE 67 2HG1 ILE 67 4.085 -0.936 -0.174 320 1HG2 ILE 67 1HG2 ILE 67 3.618 2.359 -0.431 321 2HG2 ILE 67 2HG2 ILE 67 3.444 1.034 -1.606 322 3HG2 ILE 67 3HG2 ILE 67 2.027 2.008 -1.146 323 1HD1 ILE 67 1HD1 ILE 67 5.227 1.321 0.261 324 2HD1 ILE 67 2HD1 ILE 67 4.947 1.022 1.994 325 3HD1 ILE 67 3HD1 ILE 67 5.973 -0.089 1.054 326 H GLY 68 H GLY 68 2.760 3.578 2.770 327 1HA GLY 68 1HA GLY 68 0.734 5.247 2.496 328 2HA GLY 68 2HA GLY 68 2.386 5.766 2.223 329 H THR 69 H THR 69 3.096 4.593 -0.193 330 HA THR 69 HA THR 69 2.279 6.266 -2.101 331 HB THR 69 HB THR 69 3.491 3.602 -1.935 332 HG1 THR 69 1HG THR 69 3.471 5.803 -3.879 333 1HG2 THR 69 1HG2 THR 69 1.857 2.704 -3.441 334 2HG2 THR 69 2HG2 THR 69 1.665 4.258 -4.286 335 3HG2 THR 69 3HG2 THR 69 3.147 3.297 -4.514 336 H CYS 70 H CYS 70 0.212 7.018 -2.237 337 HA CYS 70 HA CYS 70 -1.954 5.140 -2.276 338 2HB CYS 70 2HB CYS 70 -1.681 8.111 -2.266 339 H TRP 71 H TRP 71 -3.262 4.656 -4.132 340 HA TRP 71 HA TRP 71 -2.031 5.462 -6.679 341 2HB TRP 71 2HB TRP 71 -2.424 3.372 -7.568 342 HD1 TRP 71 HD TRP 71 -2.523 2.698 -3.708 343 HE1 TRP 71 1HE TRP 71 -0.380 1.353 -2.957 344 HE3 TRP 71 3HE TRP 71 -0.336 2.590 -8.298 345 HZ2 TRP 71 2HZ TRP 71 1.936 0.416 -4.336 346 HZ3 TRP 71 3HZ TRP 71 1.865 1.439 -8.509 347 HH2 TRP 71 HH TRP 71 2.998 0.377 -6.623 348 HA PRO 72 HA PRO 72 -6.013 7.349 -6.953 349 2HB PRO 72 2HB PRO 72 -5.143 9.445 -7.342 350 2HG PRO 72 2HG PRO 72 -2.902 9.470 -7.887 351 2HD PRO 72 2HD PRO 72 -2.226 7.494 -6.929 352 H GLN 73 H GLN 73 -6.923 5.271 -7.487 353 HA GLN 73 HA GLN 73 -8.000 3.941 -8.822 354 2HB GLN 73 2HB GLN 73 -8.125 6.487 -10.464 355 2HG GLN 73 2HG GLN 73 -10.118 5.000 -11.542 356 1HE2 GLN 73 1HE2 GLN 73 -8.035 3.189 -13.035 357 2HE2 GLN 73 2HE2 GLN 73 -7.299 4.268 -14.174 358 H SER 74 H SER 74 -7.725 2.416 -10.587 359 HA SER 74 HA SER 74 -5.581 2.908 -12.410 360 2HB SER 74 2HB SER 74 -4.087 1.231 -11.707 361 HG SER 74 HG SER 74 -4.379 3.031 -10.058 362 H ALA 75 H ALA 75 -5.317 0.839 -13.894 363 HA ALA 75 HA ALA 75 -8.004 0.018 -14.571 364 1HB ALA 75 1HB ALA 75 -5.828 0.761 -16.042 365 2HB ALA 75 2HB ALA 75 -5.673 -1.011 -16.097 366 3HB ALA 75 3HB ALA 75 -7.164 -0.230 -16.674 367 HA PRO 76 HA PRO 76 -7.645 -3.924 -12.829 368 2HB PRO 76 2HB PRO 76 -9.912 -4.290 -13.003 369 2HG PRO 76 2HG PRO 76 -10.974 -3.012 -14.602 370 2HD PRO 76 2HD PRO 76 -9.515 -1.240 -14.743 371 H GLY 77 H GLY 77 -6.900 -6.134 -13.021 372 1HA GLY 77 1HA GLY 77 -5.159 -7.397 -13.773 373 2HA GLY 77 2HA GLY 77 -6.194 -7.498 -15.184 374 H ALA 78 H ALA 78 -4.308 -4.695 -13.860 375 HA ALA 78 HA ALA 78 -2.920 -4.603 -16.451 376 1HB ALA 78 1HB ALA 78 -4.298 -2.679 -16.304 377 2HB ALA 78 2HB ALA 78 -3.925 -2.440 -14.580 378 3HB ALA 78 3HB ALA 78 -2.682 -2.115 -15.812 379 H LEU 79 H LEU 79 -2.554 -5.681 -13.369 380 HA LEU 79 HA LEU 79 -0.892 -5.749 -11.872 381 2HB LEU 79 2HB LEU 79 1.359 -6.198 -13.330 382 HG LEU 79 HG LEU 79 0.653 -8.589 -13.547 383 1HD1 LEU 79 1HD1 LEU 79 1.630 -7.411 -11.444 384 2HD1 LEU 79 2HD1 LEU 79 0.003 -7.661 -10.765 385 3HD1 LEU 79 3HD1 LEU 79 0.967 -9.057 -11.304 386 1HD2 LEU 79 1HD2 LEU 79 -1.955 -7.501 -12.471 387 2HD2 LEU 79 2HD2 LEU 79 -1.677 -8.437 -13.959 388 3HD2 LEU 79 3HD2 LEU 79 -1.492 -9.217 -12.371 389 H VAL 80 H VAL 80 -0.913 -3.671 -10.934 390 HA VAL 80 HA VAL 80 0.648 -1.599 -12.199 391 HB VAL 80 HB VAL 80 -0.944 -1.744 -9.634 392 1HG1 VAL 80 1HG1 VAL 80 -0.700 0.885 -9.986 393 2HG1 VAL 80 2HG1 VAL 80 0.495 -0.056 -9.061 394 3HG1 VAL 80 3HG1 VAL 80 0.829 0.388 -10.752 395 1HG2 VAL 80 1HG2 VAL 80 -1.541 -0.940 -12.439 396 2HG2 VAL 80 2HG2 VAL 80 -2.596 -1.663 -11.199 397 3HG2 VAL 80 3HG2 VAL 80 -2.222 0.077 -11.146 398 H GLU 81 H GLU 81 2.515 -3.362 -12.037 399 HA GLU 81 HA GLU 81 3.658 -3.557 -9.445 400 2HB GLU 81 2HB GLU 81 3.886 -5.355 -11.149 401 2HG GLU 81 2HG GLU 81 5.757 -3.402 -12.566 402 H ARG 82 H ARG 82 6.108 -2.941 -9.180 403 HA ARG 82 HA ARG 82 6.979 -0.752 -10.725 404 2HB ARG 82 2HB ARG 82 6.724 0.096 -7.868 405 2HG ARG 82 2HG ARG 82 7.642 1.515 -9.774 406 2HD ARG 82 2HD ARG 82 5.762 0.673 -11.385 407 HE ARG 82 HE ARG 82 3.689 1.265 -10.408 408 1HH1 ARG 82 2HH2 ARG 82 5.802 4.071 -10.617 409 2HH1 ARG 82 1HH2 ARG 82 4.545 5.204 -10.249 410 1HH2 ARG 82 2HH1 ARG 82 2.031 2.759 -9.922 411 2HH2 ARG 82 1HH1 ARG 82 2.385 4.453 -9.851 412 HA PRO 83 HA PRO 83 10.030 -3.195 -8.315 413 2HB PRO 83 2HB PRO 83 9.991 -5.198 -9.451 414 2HG PRO 83 2HG PRO 83 8.766 -5.173 -11.405 415 2HD PRO 83 2HD PRO 83 7.329 -3.433 -10.963 416 H CYS 84 H CYS 84 11.094 -1.401 -7.578 417 HA CYS 84 HA CYS 84 12.664 0.132 -7.560 418 2HB CYS 84 2HB CYS 84 14.662 -0.244 -9.157 419 HA PRO 85 HA PRO 85 11.687 3.003 -10.686 420 2HB PRO 85 2HB PRO 85 12.369 4.790 -9.404 421 2HG PRO 85 2HG PRO 85 13.926 4.273 -7.782 422 2HD PRO 85 2HD PRO 85 13.486 2.035 -7.492 423 H GLU 86 H GLU 86 15.121 2.203 -10.851 424 HA GLU 86 HA GLU 86 14.688 1.579 -13.626 425 2HB GLU 86 2HB GLU 86 16.829 3.582 -12.781 426 2HG GLU 86 2HG GLU 86 15.935 2.567 -15.523 427 H TYR 87 H TYR 87 16.540 0.328 -14.558 428 HA TYR 87 HA TYR 87 17.736 -1.293 -12.475 429 2HB TYR 87 2HB TYR 87 16.531 -1.918 -14.784 430 HD1 TYR 87 1HD TYR 87 16.821 -0.032 -16.467 431 HD2 TYR 87 2HD TYR 87 19.916 -2.861 -15.617 432 HE1 TYR 87 1HE TYR 87 17.985 0.576 -18.645 433 HE2 TYR 87 2HE TYR 87 21.070 -2.244 -17.796 434 HH TYR 87 HH TYR 87 20.970 -1.089 -19.618 435 H PHE 88 H PHE 88 18.691 1.496 -12.786 436 HA PHE 88 HA PHE 88 20.891 1.882 -14.274 437 2HB PHE 88 2HB PHE 88 19.967 3.541 -12.703 438 HD1 PHE 88 1HD PHE 88 18.148 2.660 -11.312 439 HD2 PHE 88 2HD PHE 88 22.209 2.191 -10.171 440 HE1 PHE 88 1HE PHE 88 17.426 2.087 -8.978 441 HE2 PHE 88 2HE PHE 88 21.486 1.619 -7.836 442 HZ PHE 88 HZ PHE 88 19.104 1.574 -7.267 443 H ASN 89 H ASN 89 20.801 0.201 -11.056 444 HA ASN 89 HA ASN 89 22.232 -1.081 -10.046 445 2HB ASN 89 2HB ASN 89 23.756 -2.418 -11.972 446 1HD2 ASN 89 1HD2 ASN 89 20.209 -2.311 -11.859 447 2HD2 ASN 89 2HD2 ASN 89 19.965 -3.809 -11.023 448 H GLY 90 H GLY 90 23.460 0.914 -9.355 449 1HA GLY 90 1HA GLY 90 25.976 0.995 -9.065 450 2HA GLY 90 2HA GLY 90 26.014 1.276 -10.795 451 H ILE 91 H ILE 91 23.731 2.950 -11.137 452 HA ILE 91 HA ILE 91 24.836 5.402 -10.136 453 HB ILE 91 HB ILE 91 23.178 4.535 -12.308 454 2HG1 ILE 91 2HG1 ILE 91 24.020 6.490 -13.367 455 1HG2 ILE 91 1HG2 ILE 91 21.514 6.247 -12.393 456 2HG2 ILE 91 2HG2 ILE 91 21.343 5.398 -10.839 457 3HG2 ILE 91 3HG2 ILE 91 22.122 6.997 -10.898 458 1HD1 ILE 91 1HD1 ILE 91 24.602 7.469 -10.538 459 2HD1 ILE 91 2HD1 ILE 91 25.280 8.224 -12.001 460 3HD1 ILE 91 3HD1 ILE 91 23.519 8.217 -11.735 461 H LYS 92 H LYS 92 23.162 7.108 -9.273 462 HA LYS 92 HA LYS 92 22.072 5.936 -6.893 463 2HB LYS 92 2HB LYS 92 22.089 8.809 -7.866 464 2HG LYS 92 2HG LYS 92 21.033 7.433 -5.452 465 2HD LYS 92 2HD LYS 92 23.340 8.648 -4.855 466 2HE LYS 92 2HE LYS 92 21.322 10.905 -5.186 467 1HZ LYS 92 1HZ LYS 92 23.722 11.688 -4.008 468 2HZ LYS 92 2HZ LYS 92 22.202 11.885 -3.443 469 3HZ LYS 92 3HZ LYS 92 23.044 10.536 -3.069 470 H TYR 93 H TYR 93 19.981 5.382 -6.497 471 HA TYR 93 HA TYR 93 18.149 5.499 -8.698 472 2HB TYR 93 2HB TYR 93 18.240 3.542 -7.209 473 HD1 TYR 93 1HD TYR 93 16.941 6.257 -4.955 474 HD2 TYR 93 2HD TYR 93 19.482 2.841 -5.383 475 HE1 TYR 93 1HE TYR 93 17.569 6.408 -2.496 476 HE2 TYR 93 2HE TYR 93 20.102 3.004 -2.923 477 HH TYR 93 HH TYR 93 18.752 4.057 -0.793 478 H ASN 94 H ASN 94 15.791 6.186 -8.240 479 HA ASN 94 HA ASN 94 15.957 8.847 -7.130 480 2HB ASN 94 2HB ASN 94 13.618 9.036 -8.222 481 1HD2 ASN 94 1HD2 ASN 94 16.604 7.513 -9.376 482 2HD2 ASN 94 2HD2 ASN 94 16.926 8.604 -10.681 483 H THR 95 H THR 95 15.363 5.801 -5.992 484 HA THR 95 HA THR 95 14.485 5.156 -4.019 485 HB THR 95 HB THR 95 12.793 7.671 -3.837 486 HG1 THR 95 1HG THR 95 15.628 7.306 -3.183 487 1HG2 THR 95 1HG2 THR 95 14.130 5.707 -1.968 488 2HG2 THR 95 2HG2 THR 95 14.007 7.405 -1.445 489 3HG2 THR 95 3HG2 THR 95 12.534 6.482 -1.828 490 H THR 96 H THR 96 11.734 7.115 -5.305 491 HA THR 96 HA THR 96 9.595 6.373 -5.548 492 HB THR 96 HB THR 96 9.435 5.382 -7.764 493 HG1 THR 96 1HG THR 96 10.922 3.800 -8.264 494 1HG2 THR 96 1HG2 THR 96 11.062 6.608 -9.073 495 2HG2 THR 96 2HG2 THR 96 10.744 7.613 -7.638 496 3HG2 THR 96 3HG2 THR 96 12.224 6.628 -7.726 497 H ARG 97 H ARG 97 9.369 5.364 -3.432 498 HA ARG 97 HA ARG 97 9.990 3.052 -2.531 499 2HB ARG 97 2HB ARG 97 7.520 2.768 -1.729 500 2HG ARG 97 2HG ARG 97 7.679 5.266 -0.697 501 2HD ARG 97 2HD ARG 97 9.899 3.385 0.111 502 HE ARG 97 HE ARG 97 8.418 5.453 1.384 503 1HH1 ARG 97 2HH2 ARG 97 9.479 2.164 2.045 504 2HH1 ARG 97 1HH2 ARG 97 9.536 2.392 3.761 505 1HH2 ARG 97 2HH1 ARG 97 8.493 5.754 3.648 506 2HH2 ARG 97 1HH1 ARG 97 8.971 4.447 4.679 507 H ASN 98 H ASN 98 10.509 1.312 -3.903 508 HA ASN 98 HA ASN 98 8.914 0.564 -6.049 509 2HB ASN 98 2HB ASN 98 11.194 -0.169 -6.089 510 1HD2 ASN 98 1HD2 ASN 98 9.979 -2.373 -3.607 511 2HD2 ASN 98 2HD2 ASN 98 11.233 -2.122 -2.440 512 H ALA 99 H ALA 99 7.484 -1.340 -6.247 513 HA ALA 99 HA ALA 99 6.933 -3.122 -4.210 514 1HB ALA 99 1HB ALA 99 6.129 -1.289 -2.863 515 2HB ALA 99 2HB ALA 99 5.163 -0.648 -4.213 516 3HB ALA 99 3HB ALA 99 4.708 -2.189 -3.446 517 H TYR 100 H TYR 100 4.571 -4.113 -4.631 518 HA TYR 100 HA TYR 100 4.069 -3.931 -7.523 519 2HB TYR 100 2HB TYR 100 3.477 -6.517 -6.942 520 HD1 TYR 100 1HD TYR 100 6.838 -4.933 -6.349 521 HD2 TYR 100 2HD TYR 100 4.461 -7.546 -8.764 522 HE1 TYR 100 1HE TYR 100 8.856 -5.427 -7.814 523 HE2 TYR 100 2HE TYR 100 6.486 -8.031 -10.221 524 HH TYR 100 HH TYR 100 8.534 -7.435 -10.708 525 H ARG 101 H ARG 101 1.959 -3.609 -8.072 526 HA ARG 101 HA ARG 101 0.017 -4.196 -5.985 527 2HB ARG 101 2HB ARG 101 -0.976 -2.082 -7.676 528 2HG ARG 101 2HG ARG 101 0.033 -1.233 -5.050 529 2HD ARG 101 2HD ARG 101 -2.456 -1.218 -6.649 530 HE ARG 101 HE ARG 101 -3.770 -2.132 -4.952 531 1HH1 ARG 101 2HH2 ARG 101 -1.149 -0.301 -3.483 532 2HH1 ARG 101 1HH2 ARG 101 -1.739 -0.507 -1.868 533 1HH2 ARG 101 2HH1 ARG 101 -4.549 -2.404 -2.820 534 2HH2 ARG 101 1HH1 ARG 101 -3.687 -1.711 -1.488 535 H GLU 102 H GLU 102 -0.387 -6.256 -7.086 536 HA GLU 102 HA GLU 102 -1.056 -6.269 -9.822 537 2HB GLU 102 2HB GLU 102 -1.383 -8.316 -7.593 538 2HG GLU 102 2HG GLU 102 -1.999 -8.513 -10.573 539 H CYS 103 H CYS 103 -3.144 -6.575 -10.811 540 HA CYS 103 HA CYS 103 -5.379 -5.987 -9.012 541 2HB CYS 103 2HB CYS 103 -5.941 -4.968 -11.613 542 H LEU 104 H LEU 104 -7.344 -7.106 -9.542 543 HA LEU 104 HA LEU 104 -6.900 -9.412 -11.250 544 2HB LEU 104 2HB LEU 104 -9.358 -9.777 -10.217 545 HG LEU 104 HG LEU 104 -6.665 -10.386 -9.048 546 1HD1 LEU 104 1HD1 LEU 104 -8.868 -9.938 -7.391 547 2HD1 LEU 104 2HD1 LEU 104 -8.783 -11.706 -7.575 548 3HD1 LEU 104 3HD1 LEU 104 -7.368 -10.804 -6.983 549 1HD2 LEU 104 1HD2 LEU 104 -7.123 -11.925 -10.682 550 2HD2 LEU 104 2HD2 LEU 104 -7.813 -12.747 -9.262 551 3HD2 LEU 104 3HD2 LEU 104 -8.879 -11.881 -10.395 552 H GLU 105 H GLU 105 -8.540 -10.063 -12.861 553 HA GLU 105 HA GLU 105 -9.230 -7.805 -14.426 554 2HB GLU 105 2HB GLU 105 -8.422 -9.881 -15.470 555 2HG GLU 105 2HG GLU 105 -10.989 -11.333 -15.085 556 H ASN 106 H ASN 106 -10.635 -9.013 -11.701 557 HA ASN 106 HA ASN 106 -13.340 -8.894 -12.689 558 2HB ASN 106 2HB ASN 106 -12.666 -9.167 -9.752 559 1HD2 ASN 106 1HD2 ASN 106 -13.891 -11.506 -12.071 560 2HD2 ASN 106 2HD2 ASN 106 -15.543 -11.516 -11.552 561 H GLY 107 H GLY 107 -10.963 -6.728 -11.809 562 1HA GLY 107 1HA GLY 107 -11.129 -4.485 -11.449 563 2HA GLY 107 2HA GLY 107 -12.857 -4.638 -11.202 564 H THR 108 H THR 108 -9.873 -5.970 -9.591 565 HA THR 108 HA THR 108 -10.662 -4.664 -7.122 566 HB THR 108 HB THR 108 -10.635 -6.844 -5.886 567 HG1 THR 108 1HG THR 108 -10.551 -7.835 -8.648 568 1HG2 THR 108 1HG2 THR 108 -12.490 -7.148 -8.293 569 2HG2 THR 108 2HG2 THR 108 -12.753 -7.731 -6.632 570 3HG2 THR 108 3HG2 THR 108 -12.828 -5.988 -6.986 571 H TRP 109 H TRP 109 -8.949 -4.942 -5.408 572 HA TRP 109 HA TRP 109 -6.377 -4.741 -6.754 573 2HB TRP 109 2HB TRP 109 -5.840 -4.085 -4.210 574 HD1 TRP 109 HD TRP 109 -7.759 -1.150 -4.544 575 HE1 TRP 109 1HE TRP 109 -6.767 0.730 -6.106 576 HE3 TRP 109 3HE TRP 109 -4.489 -4.177 -6.994 577 HZ2 TRP 109 2HZ TRP 109 -4.771 0.741 -8.146 578 HZ3 TRP 109 3HZ TRP 109 -3.056 -3.151 -8.757 579 HH2 TRP 109 HH TRP 109 -3.158 -0.782 -9.346 580 H ALA 110 H ALA 110 -4.526 -5.592 -5.021 581 HA ALA 110 HA ALA 110 -5.198 -8.420 -4.689 582 1HB ALA 110 1HB ALA 110 -3.055 -7.110 -5.895 583 2HB ALA 110 2HB ALA 110 -2.398 -7.619 -4.322 584 3HB ALA 110 3HB ALA 110 -3.102 -8.826 -5.425 585 H SER 111 H SER 111 -2.893 -8.810 -2.846 586 HA SER 111 HA SER 111 -4.317 -8.432 -0.473 587 2HB SER 111 2HB SER 111 -1.427 -8.891 -0.138 588 HG SER 111 HG SER 111 -2.168 -10.669 1.010 589 H ARG 112 H ARG 112 -0.927 -7.294 -1.126 590 HA ARG 112 HA ARG 112 -1.663 -4.627 -0.487 591 2HB ARG 112 2HB ARG 112 -1.450 -5.416 1.802 592 2HG ARG 112 2HG ARG 112 1.307 -6.249 1.905 593 2HD ARG 112 2HD ARG 112 0.207 -8.422 2.688 594 HE ARG 112 HE ARG 112 0.355 -6.057 4.058 595 1HH1 ARG 112 2HH2 ARG 112 -2.152 -8.521 3.900 596 2HH1 ARG 112 1HH2 ARG 112 -2.730 -8.218 5.504 597 1HH2 ARG 112 2HH1 ARG 112 -0.406 -5.656 6.174 598 2HH2 ARG 112 1HH1 ARG 112 -1.731 -6.578 6.807 599 H VAL 113 H VAL 113 -0.015 -3.120 -1.167 600 HA VAL 113 HA VAL 113 1.943 -4.314 -2.920 601 HB VAL 113 HB VAL 113 0.444 -2.358 -3.472 602 1HG1 VAL 113 1HG1 VAL 113 2.429 -0.755 -1.835 603 2HG1 VAL 113 2HG1 VAL 113 0.982 -0.165 -2.688 604 3HG1 VAL 113 3HG1 VAL 113 0.808 -1.206 -1.253 605 1HG2 VAL 113 1HG2 VAL 113 3.063 -2.962 -4.248 606 2HG2 VAL 113 2HG2 VAL 113 1.897 -1.934 -5.117 607 3HG2 VAL 113 3HG2 VAL 113 3.062 -1.201 -3.988 608 H ASN 114 H ASN 114 4.142 -4.402 -2.586 609 HA ASN 114 HA ASN 114 5.708 -2.843 -1.167 610 2HB ASN 114 2HB ASN 114 4.649 -3.014 0.948 611 1HD2 ASN 114 1HD2 ASN 114 5.430 -6.432 0.719 612 2HD2 ASN 114 2HD2 ASN 114 3.842 -7.061 1.011 613 H TYR 115 H TYR 115 4.629 -6.250 -1.576 614 HA TYR 115 HA TYR 115 7.137 -7.470 -1.271 615 2HB TYR 115 2HB TYR 115 4.893 -8.601 -1.221 616 HD1 TYR 115 1HD TYR 115 5.301 -9.175 -4.794 617 HD2 TYR 115 2HD TYR 115 3.040 -7.046 -1.850 618 HE1 TYR 115 1HE TYR 115 3.487 -8.710 -6.512 619 HE2 TYR 115 2HE TYR 115 1.234 -6.590 -3.579 620 HH TYR 115 HH TYR 115 1.633 -7.681 -6.936 621 H SER 116 H SER 116 8.352 -5.676 -2.531 622 HA SER 116 HA SER 116 8.150 -6.114 -5.384 623 2HB SER 116 2HB SER 116 10.205 -4.208 -4.601 624 HG SER 116 HG SER 116 9.334 -3.517 -6.433 625 H HIS 117 H HIS 117 10.138 -6.812 -2.555 626 HA HIS 117 HA HIS 117 12.051 -7.854 -2.266 627 2HB HIS 117 2HB HIS 117 10.685 -9.661 -3.270 628 HD1 HIS 117 1HD HIS 117 13.270 -8.872 -6.001 629 HD2 HIS 117 2HD HIS 117 9.253 -10.002 -5.567 630 HE1 HIS 117 1HE HIS 117 12.372 -9.241 -8.361 631 H CYS 118 H CYS 118 12.142 -5.272 -3.635 632 HA CYS 118 HA CYS 118 14.314 -5.660 -5.529 633 2HB CYS 118 2HB CYS 118 13.511 -2.906 -5.020 634 H GLU 119 H GLU 119 13.574 -4.855 -2.213 635 HA GLU 119 HA GLU 119 15.685 -3.145 -1.672 636 2HB GLU 119 2HB GLU 119 15.082 -4.831 0.610 637 2HG GLU 119 2HG GLU 119 13.923 -2.087 -0.006 638 HA PRO 120 HA PRO 120 18.064 -7.110 -0.600 639 2HB PRO 120 2HB PRO 120 16.848 -8.858 0.277 640 2HG PRO 120 2HG PRO 120 14.593 -8.798 -0.205 641 2HD PRO 120 2HD PRO 120 14.316 -6.547 -0.586 642 H ILE 121 H ILE 121 18.630 -5.577 -2.569 643 HA ILE 121 HA ILE 121 18.745 -7.036 -5.025 644 HB ILE 121 HB ILE 121 18.464 -4.538 -4.721 645 2HG1 ILE 121 2HG1 ILE 121 19.301 -5.983 -6.814 646 1HG2 ILE 121 1HG2 ILE 121 21.462 -4.400 -4.578 647 2HG2 ILE 121 2HG2 ILE 121 20.245 -3.147 -4.226 648 3HG2 ILE 121 3HG2 ILE 121 20.490 -4.496 -3.089 649 1HD1 ILE 121 1HD1 ILE 121 19.409 -2.934 -6.713 650 2HD1 ILE 121 2HD1 ILE 121 19.125 -3.935 -8.156 651 3HD1 ILE 121 3HD1 ILE 121 17.913 -3.889 -6.852 652 H LEU 122 H LEU 122 21.099 -6.932 -6.162 653 HA LEU 122 HA LEU 122 23.114 -7.783 -4.240 654 2HB LEU 122 2HB LEU 122 22.076 -9.849 -4.738 655 HG LEU 122 HG LEU 122 22.003 -8.892 -7.558 656 1HD1 LEU 122 1HD1 LEU 122 23.258 -11.398 -6.833 657 2HD1 LEU 122 2HD1 LEU 122 21.785 -11.671 -7.795 658 3HD1 LEU 122 3HD1 LEU 122 23.081 -10.627 -8.428 659 1HD2 LEU 122 1HD2 LEU 122 19.988 -9.081 -6.108 660 2HD2 LEU 122 2HD2 LEU 122 19.896 -10.047 -7.601 661 3HD2 LEU 122 3HD2 LEU 122 20.245 -10.842 -6.047 662 H ASP 123 H ASP 123 23.050 -5.308 -5.423 663 HA ASP 123 HA ASP 123 24.435 -5.418 -7.906 664 2HB ASP 123 2HB ASP 123 22.895 -3.562 -7.402 665 H ASP 124 H ASP 124 26.244 -6.826 -6.907 666 HA ASP 124 HA ASP 124 28.443 -5.195 -6.341 667 2HB ASP 124 2HB ASP 124 27.968 -7.106 -4.070 668 H LYS 125 H LYS 125 30.403 -6.814 -5.660 669 HA LYS 125 HA LYS 125 30.676 -8.690 -7.624 670 2HB LYS 125 2HB LYS 125 32.493 -9.625 -6.055 671 2HG LYS 125 2HG LYS 125 32.652 -6.618 -6.436 672 2HD LYS 125 2HD LYS 125 34.896 -7.747 -7.534 673 2HE LYS 125 2HE LYS 125 34.551 -5.996 -5.598 674 1HZ LYS 125 1HZ LYS 125 33.744 -7.835 -4.110 675 2HZ LYS 125 2HZ LYS 125 35.297 -8.328 -3.996 676 3HZ LYS 125 3HZ LYS 125 34.873 -6.838 -3.478 677 H GLN 126 H GLN 126 31.121 -11.158 -7.145 678 HA GLN 126 HA GLN 126 28.695 -12.084 -5.836 679 2HB GLN 126 2HB GLN 126 29.141 -14.206 -7.184 680 2HG GLN 126 2HG GLN 126 28.031 -11.732 -7.986 681 1HE2 GLN 126 1HE2 GLN 126 29.406 -10.267 -8.893 682 2HE2 GLN 126 2HE2 GLN 126 30.098 -10.426 -10.473 683 H ARG 127 H ARG 127 29.001 -14.492 -4.938 684 HA ARG 127 HA ARG 127 30.905 -14.228 -2.893 685 2HB ARG 127 2HB ARG 127 29.633 -16.900 -3.452 686 2HG ARG 127 2HG ARG 127 28.947 -15.810 -0.907 687 2HD ARG 127 2HD ARG 127 30.791 -17.503 -0.168 688 HE ARG 127 HE ARG 127 28.934 -18.984 -1.868 689 1HH1 ARG 127 2HH2 ARG 127 29.200 -17.030 1.047 690 2HH1 ARG 127 1HH2 ARG 127 27.780 -17.700 1.778 691 1HH2 ARG 127 2HH1 ARG 127 27.061 -19.868 -0.903 692 2HH2 ARG 127 1HH1 ARG 127 26.556 -19.325 0.662 693 H LYS 128 H LYS 128 32.267 -16.426 -2.359 694 HA LYS 128 HA LYS 128 33.479 -17.382 -4.843 695 2HB LYS 128 2HB LYS 128 34.930 -16.092 -2.521 696 2HG LYS 128 2HG LYS 128 35.879 -18.365 -3.546 697 2HD LYS 128 2HD LYS 128 37.210 -16.512 -5.491 698 2HE LYS 128 2HE LYS 128 36.393 -19.447 -5.419 699 1HZ LYS 128 1HZ LYS 128 36.208 -18.387 -7.648 700 2HZ LYS 128 2HZ LYS 128 37.812 -18.087 -7.594 701 3HZ LYS 128 3HZ LYS 128 37.267 -19.627 -7.563 702 H TYR 129 H TYR 129 33.677 -17.674 -1.221 703 HA TYR 129 HA TYR 129 33.755 -19.460 0.094 704 2HB TYR 129 2HB TYR 129 31.961 -20.296 -2.246 705 HD1 TYR 129 1HD TYR 129 31.488 -21.350 1.246 706 HD2 TYR 129 2HD TYR 129 32.700 -22.590 -2.665 707 HE1 TYR 129 1HE TYR 129 31.327 -23.784 1.960 708 HE2 TYR 129 2HE TYR 129 32.536 -25.020 -1.937 709 HH TYR 129 HH TYR 129 30.883 -26.083 0.427 710 H ASP 130 H ASP 130 34.309 -21.924 0.235 711 HA ASP 130 HA ASP 130 35.492 -23.240 -1.834 712 2HB ASP 130 2HB ASP 130 37.299 -21.780 -2.106 713 H LEU 131 H LEU 131 36.993 -25.092 -0.897 714 HA LEU 131 HA LEU 131 37.132 -25.459 1.884 715 2HB LEU 131 2HB LEU 131 35.179 -27.397 0.766 716 HG LEU 131 HG LEU 131 36.166 -27.014 3.288 717 1HD1 LEU 131 1HD1 LEU 131 34.833 -24.801 3.259 718 2HD1 LEU 131 2HD1 LEU 131 33.401 -25.838 3.464 719 3HD1 LEU 131 3HD1 LEU 131 34.699 -25.865 4.680 720 1HD2 LEU 131 1HD2 LEU 131 35.111 -29.035 2.688 721 2HD2 LEU 131 2HD2 LEU 131 34.138 -28.364 4.019 722 3HD2 LEU 131 3HD2 LEU 131 33.565 -28.223 2.339 723 H HIS 132 H HIS 132 37.548 -28.041 2.244 724 HA HIS 132 HA HIS 132 38.895 -29.723 1.836 725 2HB HIS 132 2HB HIS 132 39.221 -29.851 -0.960 726 HD1 HIS 132 1HD HIS 132 39.735 -32.283 -0.125 727 HD2 HIS 132 2HD HIS 132 35.769 -31.045 0.446 728 HE1 HIS 132 1HE HIS 132 38.403 -34.387 0.436 729 HE2 HIS 132 2HE HIS 132 35.985 -33.554 0.829 730 H TYR 133 H TYR 133 41.051 -29.732 2.243 731 HA TYR 133 HA TYR 133 42.610 -27.459 1.599 732 2HB TYR 133 2HB TYR 133 43.325 -30.317 2.509 733 HD1 TYR 133 1HD TYR 133 44.344 -27.766 4.728 734 HD2 TYR 133 2HD TYR 133 45.474 -29.700 1.084 735 HE1 TYR 133 1HE TYR 133 46.745 -26.998 5.058 736 HE2 TYR 133 2HE TYR 133 47.872 -28.925 1.425 737 HH TYR 133 HH TYR 133 48.729 -26.525 3.368 Start of MODEL 5 1 1H GLY 15 H GLY 15 29.380 -20.762 34.421 2 1HA GLY 15 1HA GLY 15 28.732 -18.657 32.528 3 2HA GLY 15 2HA GLY 15 30.394 -18.679 33.084 4 H SER 16 H SER 16 28.663 -19.546 30.505 5 HA SER 16 HA SER 16 30.536 -21.280 29.521 6 2HB SER 16 2HB SER 16 28.603 -23.253 29.418 7 HG SER 16 HG SER 16 30.929 -23.434 30.006 8 H GLY 17 H GLY 17 29.653 -22.368 27.376 9 1HA GLY 17 1HA GLY 17 27.532 -20.623 26.270 10 2HA GLY 17 2HA GLY 17 28.986 -21.060 25.397 11 H MET 18 H MET 18 26.202 -22.589 27.161 12 HA MET 18 HA MET 18 26.094 -24.504 24.974 13 2HB MET 18 2HB MET 18 27.226 -25.573 26.941 14 2HG MET 18 2HG MET 18 24.653 -24.778 28.386 15 1HE MET 18 1HE MET 18 25.404 -28.351 28.061 16 2HE MET 18 2HE MET 18 24.280 -28.192 29.432 17 3HE MET 18 3HE MET 18 24.130 -27.108 28.028 18 H LYS 19 H LYS 19 23.891 -25.893 25.327 19 HA LYS 19 HA LYS 19 21.684 -25.865 25.294 20 2HB LYS 19 2HB LYS 19 20.627 -24.123 27.026 21 2HG LYS 19 2HG LYS 19 22.174 -26.276 28.390 22 2HD LYS 19 2HD LYS 19 19.267 -25.435 28.099 23 2HE LYS 19 2HE LYS 19 20.420 -28.027 29.179 24 1HZ LYS 19 1HZ LYS 19 19.241 -27.393 31.002 25 2HZ LYS 19 2HZ LYS 19 18.166 -26.485 30.176 26 3HZ LYS 19 3HZ LYS 19 18.052 -28.114 30.145 27 H GLU 20 H GLU 20 20.643 -25.196 23.504 28 HA GLU 20 HA GLU 20 19.999 -22.487 23.175 29 2HB GLU 20 2HB GLU 20 21.501 -23.164 20.753 30 2HG GLU 20 2HG GLU 20 21.897 -20.900 22.760 31 H THR 21 H THR 21 18.131 -22.360 21.945 32 HA THR 21 HA THR 21 17.580 -24.544 20.080 33 HB THR 21 HB THR 21 16.636 -25.112 22.380 34 HG1 THR 21 1HG THR 21 14.880 -25.878 21.211 35 1HG2 THR 21 1HG2 THR 21 15.815 -22.392 22.352 36 2HG2 THR 21 2HG2 THR 21 14.331 -23.327 22.048 37 3HG2 THR 21 3HG2 THR 21 15.298 -23.641 23.510 38 H ALA 22 H ALA 22 15.696 -24.050 18.648 39 HA ALA 22 HA ALA 22 15.729 -21.171 18.097 40 1HB ALA 22 1HB ALA 22 16.358 -23.276 16.474 41 2HB ALA 22 2HB ALA 22 14.629 -23.079 16.104 42 3HB ALA 22 3HB ALA 22 15.748 -21.712 15.885 43 H ALA 23 H ALA 23 14.062 -20.246 19.239 44 HA ALA 23 HA ALA 23 11.797 -21.364 20.149 45 1HB ALA 23 1HB ALA 23 11.558 -19.229 20.798 46 2HB ALA 23 2HB ALA 23 12.814 -18.731 19.639 47 3HB ALA 23 3HB ALA 23 11.107 -18.773 19.138 48 H ALA 24 H ALA 24 9.673 -21.777 19.403 49 HA ALA 24 HA ALA 24 9.557 -22.311 16.563 50 1HB ALA 24 1HB ALA 24 7.538 -22.848 18.778 51 2HB ALA 24 2HB ALA 24 7.542 -23.552 17.143 52 3HB ALA 24 3HB ALA 24 8.835 -23.967 18.294 53 H LYS 25 H LYS 25 9.626 -20.021 15.885 54 HA LYS 25 HA LYS 25 6.945 -18.987 15.717 55 2HB LYS 25 2HB LYS 25 8.461 -16.712 16.445 56 2HG LYS 25 2HG LYS 25 6.590 -18.030 18.394 57 2HD LYS 25 2HD LYS 25 6.634 -15.269 17.086 58 2HE LYS 25 2HE LYS 25 5.287 -16.166 19.672 59 1HZ LYS 25 1HZ LYS 25 4.314 -14.097 19.570 60 2HZ LYS 25 2HZ LYS 25 5.848 -13.775 19.110 61 3HZ LYS 25 3HZ LYS 25 4.662 -13.861 17.991 62 H PHE 26 H PHE 26 6.798 -17.246 14.064 63 HA PHE 26 HA PHE 26 8.971 -17.588 12.128 64 2HB PHE 26 2HB PHE 26 6.831 -18.351 11.269 65 HD1 PHE 26 1HD PHE 26 6.058 -14.792 12.112 66 HD2 PHE 26 2HD PHE 26 4.782 -18.837 12.199 67 HE1 PHE 26 1HE PHE 26 3.858 -14.076 13.085 68 HE2 PHE 26 2HE PHE 26 2.581 -18.123 13.171 69 HZ PHE 26 HZ PHE 26 2.145 -15.750 13.603 70 H GLU 27 H GLU 27 9.386 -15.663 10.675 71 HA GLU 27 HA GLU 27 9.961 -13.457 12.259 72 2HB GLU 27 2HB GLU 27 11.250 -14.089 10.239 73 2HG GLU 27 2HG GLU 27 8.891 -12.973 8.656 74 H ARG 28 H ARG 28 9.088 -11.285 12.243 75 HA ARG 28 HA ARG 28 6.538 -11.027 10.910 76 2HB ARG 28 2HB ARG 28 6.812 -10.103 13.793 77 2HG ARG 28 2HG ARG 28 4.699 -10.274 11.750 78 2HD ARG 28 2HD ARG 28 3.516 -10.882 14.384 79 HE ARG 28 HE ARG 28 2.844 -12.566 12.120 80 1HH1 ARG 28 2HH2 ARG 28 2.512 -9.295 13.373 81 2HH1 ARG 28 1HH2 ARG 28 1.065 -8.963 12.480 82 1HH2 ARG 28 2HH1 ARG 28 0.935 -12.129 10.942 83 2HH2 ARG 28 1HH1 ARG 28 0.161 -10.587 11.088 84 H GLN 29 H GLN 29 5.809 -8.676 10.836 85 HA GLN 29 HA GLN 29 8.141 -7.040 10.498 86 2HB GLN 29 2HB GLN 29 5.515 -5.768 10.039 87 2HG GLN 29 2HG GLN 29 6.512 -5.334 7.829 88 1HE2 GLN 29 1HE2 GLN 29 6.258 -3.617 9.579 89 2HE2 GLN 29 2HE2 GLN 29 7.704 -2.851 10.145 90 H HIS 30 H HIS 30 5.078 -7.061 12.425 91 HA HIS 30 HA HIS 30 4.478 -6.000 14.249 92 2HB HIS 30 2HB HIS 30 6.876 -7.060 14.828 93 HD1 HIS 30 1HD HIS 30 9.255 -6.328 14.829 94 HD2 HIS 30 2HD HIS 30 6.654 -3.198 15.848 95 HE1 HIS 30 1HE HIS 30 10.729 -4.302 15.310 96 H MET 31 H MET 31 4.293 -3.841 15.316 97 HA MET 31 HA MET 31 5.410 -1.751 13.619 98 2HB MET 31 2HB MET 31 3.137 -0.556 14.056 99 2HG MET 31 2HG MET 31 3.312 -3.111 12.398 100 1HE MET 31 1HE MET 31 1.500 -1.465 9.903 101 2HE MET 31 2HE MET 31 1.914 -3.157 10.268 102 3HE MET 31 3HE MET 31 0.208 -2.659 10.172 103 H ASP 32 H ASP 32 6.033 0.178 14.686 104 HA ASP 32 HA ASP 32 5.553 0.189 17.553 105 2HB ASP 32 2HB ASP 32 8.109 1.378 17.080 106 H SER 33 H SER 33 4.483 1.608 15.037 107 HA SER 33 HA SER 33 5.436 4.296 15.600 108 2HB SER 33 2HB SER 33 5.586 4.167 13.309 109 HG SER 33 HG SER 33 4.937 1.986 13.048 110 HA PRO 34 HA PRO 34 1.573 5.317 17.322 111 2HB PRO 34 2HB PRO 34 2.340 7.353 18.079 112 2HG PRO 34 2HG PRO 34 4.147 8.194 16.917 113 2HD PRO 34 2HD PRO 34 5.027 6.247 16.068 114 H ASP 35 H ASP 35 -0.399 7.164 16.641 115 HA ASP 35 HA ASP 35 -1.228 5.996 14.100 116 2HB ASP 35 2HB ASP 35 -3.405 5.663 14.911 117 H LEU 36 H LEU 36 -1.680 7.576 12.547 118 HA LEU 36 HA LEU 36 -2.688 10.145 13.427 119 2HB LEU 36 2HB LEU 36 -0.979 11.367 12.119 120 HG LEU 36 HG LEU 36 0.131 9.692 14.385 121 1HD1 LEU 36 1HD1 LEU 36 1.886 10.583 12.821 122 2HD1 LEU 36 2HD1 LEU 36 1.338 12.222 13.249 123 3HD1 LEU 36 3HD1 LEU 36 2.007 11.151 14.504 124 1HD2 LEU 36 1HD2 LEU 36 -0.858 11.096 15.795 125 2HD2 LEU 36 2HD2 LEU 36 -0.268 12.519 14.904 126 3HD2 LEU 36 3HD2 LEU 36 -1.780 11.722 14.408 127 H GLY 37 H GLY 37 -1.109 9.119 10.347 128 1HA GLY 37 1HA GLY 37 -1.942 9.195 8.241 129 2HA GLY 37 2HA GLY 37 -3.131 8.094 8.907 130 H THR 38 H THR 38 -2.420 11.666 8.899 131 HA THR 38 HA THR 38 -5.216 12.102 8.138 132 HB THR 38 HB THR 38 -3.709 13.394 10.471 133 HG1 THR 38 1HG THR 38 -6.124 11.779 10.048 134 1HG2 THR 38 1HG2 THR 38 -6.199 14.311 10.780 135 2HG2 THR 38 2HG2 THR 38 -5.051 15.199 9.749 136 3HG2 THR 38 3HG2 THR 38 -6.263 14.125 9.011 137 H THR 39 H THR 39 -2.688 12.031 6.611 138 HA THR 39 HA THR 39 -3.070 14.470 5.221 139 HB THR 39 HB THR 39 -1.715 15.240 7.238 140 HG1 THR 39 1HG THR 39 -1.577 16.238 5.083 141 1HG2 THR 39 1HG2 THR 39 -0.248 12.923 6.909 142 2HG2 THR 39 2HG2 THR 39 0.743 14.083 5.993 143 3HG2 THR 39 3HG2 THR 39 0.382 14.383 7.710 144 H LEU 40 H LEU 40 -3.568 12.532 3.839 145 HA LEU 40 HA LEU 40 -1.647 10.721 3.064 146 2HB LEU 40 2HB LEU 40 -4.068 10.645 2.564 147 HG LEU 40 HG LEU 40 -3.434 12.964 0.855 148 1HD1 LEU 40 1HD1 LEU 40 -5.463 11.201 -0.390 149 2HD1 LEU 40 2HD1 LEU 40 -4.299 12.325 -1.128 150 3HD1 LEU 40 3HD1 LEU 40 -3.764 10.713 -0.599 151 1HD2 LEU 40 1HD2 LEU 40 -5.826 13.391 1.117 152 2HD2 LEU 40 2HD2 LEU 40 -6.033 11.803 1.896 153 3HD2 LEU 40 3HD2 LEU 40 -5.052 13.062 2.686 154 H LEU 41 H LEU 41 -0.760 10.687 0.647 155 HA LEU 41 HA LEU 41 0.543 13.290 0.245 156 2HB LEU 41 2HB LEU 41 2.119 11.702 1.084 157 HG LEU 41 HG LEU 41 0.747 9.713 -0.313 158 1HD1 LEU 41 1HD1 LEU 41 2.062 10.501 -2.335 159 2HD1 LEU 41 2HD1 LEU 41 3.517 9.896 -1.507 160 3HD1 LEU 41 3HD1 LEU 41 2.198 8.775 -1.923 161 1HD2 LEU 41 1HD2 LEU 41 3.510 9.166 0.673 162 2HD2 LEU 41 2HD2 LEU 41 2.315 9.808 1.825 163 3HD2 LEU 41 3HD2 LEU 41 1.989 8.287 0.959 164 H GLU 42 H GLU 42 -1.948 11.502 -0.850 165 HA GLU 42 HA GLU 42 -1.237 11.827 -3.648 166 2HB GLU 42 2HB GLU 42 -3.851 10.604 -3.144 167 2HG GLU 42 2HG GLU 42 -2.784 8.741 -4.446 168 H GLN 43 H GLN 43 -2.171 13.895 -1.456 169 HA GLN 43 HA GLN 43 -3.669 15.496 -1.214 170 2HB GLN 43 2HB GLN 43 -3.872 16.912 -3.373 171 2HG GLN 43 2HG GLN 43 -1.461 17.499 -3.343 172 1HE2 GLN 43 1HE2 GLN 43 -1.424 15.802 -0.358 173 2HE2 GLN 43 2HE2 GLN 43 -1.946 17.079 0.690 174 H TYR 44 H TYR 44 -5.437 13.873 -0.751 175 HA TYR 44 HA TYR 44 -7.574 13.298 -0.928 176 2HB TYR 44 2HB TYR 44 -8.986 14.785 -2.218 177 HD1 TYR 44 1HD TYR 44 -7.247 17.215 -3.666 178 HD2 TYR 44 2HD TYR 44 -7.576 15.482 0.231 179 HE1 TYR 44 1HE TYR 44 -6.478 19.401 -2.622 180 HE2 TYR 44 2HE TYR 44 -6.806 17.674 1.263 181 HH TYR 44 HH TYR 44 -5.702 20.329 -0.762 182 H CYS 45 H CYS 45 -7.142 11.115 -1.461 183 HA CYS 45 HA CYS 45 -6.654 10.406 -4.179 184 2HB CYS 45 2HB CYS 45 -7.425 8.123 -2.710 185 H HIS 46 H HIS 46 -8.551 11.375 -5.226 186 HA HIS 46 HA HIS 46 -10.621 9.610 -5.632 187 2HB HIS 46 2HB HIS 46 -11.888 11.857 -4.184 188 HD1 HIS 46 1HD HIS 46 -12.694 9.220 -2.141 189 HD2 HIS 46 2HD HIS 46 -13.445 9.886 -6.214 190 HE1 HIS 46 1HE HIS 46 -14.689 7.751 -2.749 191 H ARG 47 H ARG 47 -11.811 10.244 -7.455 192 HA ARG 47 HA ARG 47 -11.177 12.934 -8.371 193 2HB ARG 47 2HB ARG 47 -9.973 11.325 -9.761 194 2HG ARG 47 2HG ARG 47 -12.648 10.003 -10.389 195 2HD ARG 47 2HD ARG 47 -11.052 8.153 -11.148 196 HE ARG 47 HE ARG 47 -11.903 10.300 -12.611 197 1HH1 ARG 47 2HH2 ARG 47 -8.808 8.628 -12.505 198 2HH1 ARG 47 1HH2 ARG 47 -8.415 8.982 -14.154 199 1HH2 ARG 47 2HH1 ARG 47 -11.385 10.766 -14.787 200 2HH2 ARG 47 1HH1 ARG 47 -9.891 10.206 -15.462 201 H THR 48 H THR 48 -13.480 10.137 -8.634 202 HA THR 48 HA THR 48 -15.754 11.651 -8.133 203 HB THR 48 HB THR 48 -15.320 12.793 -10.263 204 HG1 THR 48 1HG THR 48 -17.528 12.297 -10.042 205 1HG2 THR 48 1HG2 THR 48 -15.371 11.426 -12.398 206 2HG2 THR 48 2HG2 THR 48 -13.901 11.145 -11.434 207 3HG2 THR 48 3HG2 THR 48 -15.223 9.953 -11.410 208 H THR 49 H THR 49 -14.335 8.891 -9.951 209 HA THR 49 HA THR 49 -15.073 6.792 -10.218 210 HB THR 49 HB THR 49 -14.152 6.748 -7.925 211 HG1 THR 49 1HG THR 49 -15.076 4.745 -8.215 212 1HG2 THR 49 1HG2 THR 49 -15.805 6.855 -5.998 213 2HG2 THR 49 2HG2 THR 49 -15.536 8.432 -6.778 214 3HG2 THR 49 3HG2 THR 49 -17.013 7.503 -7.134 215 H ILE 50 H ILE 50 -16.840 8.240 -11.518 216 HA ILE 50 HA ILE 50 -18.961 8.476 -12.131 217 HB ILE 50 HB ILE 50 -18.914 5.620 -11.174 218 2HG1 ILE 50 2HG1 ILE 50 -17.773 6.937 -13.397 219 1HG2 ILE 50 1HG2 ILE 50 -21.204 7.210 -11.915 220 2HG2 ILE 50 2HG2 ILE 50 -20.937 5.912 -13.103 221 3HG2 ILE 50 3HG2 ILE 50 -21.121 5.516 -11.378 222 1HD1 ILE 50 1HD1 ILE 50 -18.297 4.005 -12.738 223 2HD1 ILE 50 2HD1 ILE 50 -17.246 4.548 -14.066 224 3HD1 ILE 50 3HD1 ILE 50 -16.826 4.940 -12.382 225 H GLY 51 H GLY 51 -19.251 10.164 -10.459 226 1HA GLY 51 1HA GLY 51 -20.711 11.122 -9.016 227 2HA GLY 51 2HA GLY 51 -21.575 9.605 -8.878 228 H ASN 52 H ASN 52 -21.304 8.333 -7.059 229 HA ASN 52 HA ASN 52 -18.949 8.252 -5.608 230 2HB ASN 52 2HB ASN 52 -20.936 9.533 -3.795 231 1HD2 ASN 52 1HD2 ASN 52 -18.238 11.255 -5.100 232 2HD2 ASN 52 2HD2 ASN 52 -17.109 10.991 -3.813 233 H PHE 53 H PHE 53 -22.550 8.140 -5.653 234 HA PHE 53 HA PHE 53 -22.694 6.120 -3.633 235 2HB PHE 53 2HB PHE 53 -24.403 7.986 -4.359 236 HD1 PHE 53 1HD PHE 53 -23.961 8.592 -6.794 237 HD2 PHE 53 2HD PHE 53 -26.264 5.218 -5.648 238 HE1 PHE 53 1HE PHE 53 -24.995 8.522 -9.080 239 HE2 PHE 53 2HE PHE 53 -27.299 5.147 -7.935 240 HZ PHE 53 HZ PHE 53 -26.651 6.801 -9.623 241 H SER 54 H SER 54 -20.883 5.144 -5.462 242 HA SER 54 HA SER 54 -20.421 3.359 -6.608 243 2HB SER 54 2HB SER 54 -22.096 1.464 -6.732 244 HG SER 54 HG SER 54 -20.803 2.327 -4.636 245 H GLY 55 H GLY 55 -21.595 1.855 -8.603 246 1HA GLY 55 1HA GLY 55 -23.424 2.948 -10.310 247 2HA GLY 55 2HA GLY 55 -21.937 3.792 -10.691 248 HA PRO 56 HA PRO 56 -21.400 0.186 -13.184 249 2HB PRO 56 2HB PRO 56 -21.352 1.378 -15.154 250 2HG PRO 56 2HG PRO 56 -21.101 3.656 -14.894 251 2HD PRO 56 2HD PRO 56 -21.919 3.916 -12.761 252 H TYR 57 H TYR 57 -18.425 2.073 -12.885 253 HA TYR 57 HA TYR 57 -16.396 1.474 -12.221 254 2HB TYR 57 2HB TYR 57 -18.110 -0.425 -10.501 255 HD1 TYR 57 1HD TYR 57 -15.081 1.744 -10.013 256 HD2 TYR 57 2HD TYR 57 -16.841 -2.131 -9.565 257 HE1 TYR 57 1HE TYR 57 -12.993 0.926 -8.817 258 HE2 TYR 57 2HE TYR 57 -14.746 -2.935 -8.369 259 HH TYR 57 HH TYR 57 -12.605 -1.033 -7.012 260 H THR 58 H THR 58 -14.812 -0.487 -11.877 261 HA THR 58 HA THR 58 -15.206 -3.026 -12.607 262 HB THR 58 HB THR 58 -15.590 -1.195 -14.942 263 HG1 THR 58 1HG THR 58 -17.196 -2.720 -15.039 264 1HG2 THR 58 1HG2 THR 58 -13.866 -3.717 -15.036 265 2HG2 THR 58 2HG2 THR 58 -14.787 -3.143 -16.447 266 3HG2 THR 58 3HG2 THR 58 -13.504 -2.125 -15.748 267 H TYR 59 H TYR 59 -13.303 -0.081 -12.844 268 HA TYR 59 HA TYR 59 -10.868 -1.711 -12.995 269 2HB TYR 59 2HB TYR 59 -11.000 0.080 -14.659 270 HD1 TYR 59 1HD TYR 59 -13.274 0.989 -14.914 271 HD2 TYR 59 2HD TYR 59 -10.593 2.518 -11.951 272 HE1 TYR 59 1HE TYR 59 -14.750 3.040 -14.626 273 HE2 TYR 59 2HE TYR 59 -12.078 4.563 -11.673 274 HH TYR 59 HH TYR 59 -13.837 5.611 -12.346 275 H CYS 60 H CYS 60 -9.104 -1.269 -11.509 276 HA CYS 60 HA CYS 60 -9.728 -1.284 -8.912 277 2HB CYS 60 2HB CYS 60 -7.403 -0.328 -8.516 278 H ASN 61 H ASN 61 -9.833 0.316 -7.186 279 HA ASN 61 HA ASN 61 -10.657 2.902 -8.214 280 2HB ASN 61 2HB ASN 61 -11.052 1.816 -5.383 281 1HD2 ASN 61 1HD2 ASN 61 -13.566 2.955 -7.441 282 2HD2 ASN 61 2HD2 ASN 61 -13.804 4.519 -6.737 283 H THR 62 H THR 62 -10.186 4.742 -6.398 284 HA THR 62 HA THR 62 -7.324 4.606 -5.896 285 HB THR 62 HB THR 62 -8.271 6.582 -7.047 286 HG1 THR 62 1HG THR 62 -6.556 6.695 -5.288 287 1HG2 THR 62 1HG2 THR 62 -9.567 8.021 -5.030 288 2HG2 THR 62 2HG2 THR 62 -10.381 7.243 -6.410 289 3HG2 THR 62 3HG2 THR 62 -10.259 6.390 -4.851 290 H THR 63 H THR 63 -6.365 4.341 -3.963 291 HA THR 63 HA THR 63 -7.516 5.089 -1.527 292 HB THR 63 HB THR 63 -9.072 3.163 -2.169 293 HG1 THR 63 1HG THR 63 -7.229 2.628 0.044 294 1HG2 THR 63 1HG2 THR 63 -6.533 1.839 -2.626 295 2HG2 THR 63 2HG2 THR 63 -7.341 1.058 -1.246 296 3HG2 THR 63 3HG2 THR 63 -8.171 1.168 -2.817 297 H LEU 64 H LEU 64 -6.215 4.254 0.366 298 HA LEU 64 HA LEU 64 -3.533 3.501 -0.555 299 2HB LEU 64 2HB LEU 64 -3.285 5.768 -0.147 300 HG LEU 64 HG LEU 64 -5.551 5.812 1.323 301 1HD1 LEU 64 1HD1 LEU 64 -3.959 6.665 3.566 302 2HD1 LEU 64 2HD1 LEU 64 -5.295 5.490 3.503 303 3HD1 LEU 64 3HD1 LEU 64 -3.625 4.958 3.191 304 1HD2 LEU 64 1HD2 LEU 64 -5.266 8.080 1.414 305 2HD2 LEU 64 2HD2 LEU 64 -3.558 7.963 1.902 306 3HD2 LEU 64 3HD2 LEU 64 -4.024 7.656 0.211 307 H ASP 65 H ASP 65 -2.909 1.600 0.305 308 HA ASP 65 HA ASP 65 -4.423 0.612 2.534 309 2HB ASP 65 2HB ASP 65 -3.745 -0.745 0.445 310 H GLN 66 H GLN 66 -2.498 -1.041 3.816 311 HA GLN 66 HA GLN 66 -1.443 0.440 5.713 312 2HB GLN 66 2HB GLN 66 -0.085 -1.983 4.451 313 2HG GLN 66 2HG GLN 66 0.094 -0.794 7.259 314 1HE2 GLN 66 1HE2 GLN 66 2.851 -2.130 6.908 315 2HE2 GLN 66 2HE2 GLN 66 2.604 -3.771 7.404 316 H ILE 67 H ILE 67 -0.169 0.125 2.411 317 HA ILE 67 HA ILE 67 2.245 1.570 3.138 318 HB ILE 67 HB ILE 67 1.329 0.447 0.488 319 2HG1 ILE 67 2HG1 ILE 67 2.671 -0.772 2.831 320 1HG2 ILE 67 1HG2 ILE 67 3.206 2.384 0.870 321 2HG2 ILE 67 2HG2 ILE 67 4.197 0.910 0.991 322 3HG2 ILE 67 3HG2 ILE 67 3.215 1.206 -0.465 323 1HD1 ILE 67 1HD1 ILE 67 1.822 -2.831 1.439 324 2HD1 ILE 67 2HD1 ILE 67 0.621 -1.779 2.229 325 3HD1 ILE 67 3HD1 ILE 67 0.942 -1.611 0.487 326 H GLY 68 H GLY 68 1.890 3.710 3.514 327 1HA GLY 68 1HA GLY 68 -0.051 5.369 2.879 328 2HA GLY 68 2HA GLY 68 1.627 5.865 2.784 329 H THR 69 H THR 69 2.432 4.214 0.524 330 HA THR 69 HA THR 69 1.996 5.861 -1.582 331 HB THR 69 HB THR 69 2.607 2.899 -1.295 332 HG1 THR 69 1HG THR 69 4.658 3.809 -1.796 333 1HG2 THR 69 1HG2 THR 69 2.946 2.639 -3.631 334 2HG2 THR 69 2HG2 THR 69 1.393 3.507 -3.573 335 3HG2 THR 69 3HG2 THR 69 2.895 4.395 -3.925 336 H CYS 70 H CYS 70 -0.035 6.724 -1.878 337 HA CYS 70 HA CYS 70 -2.268 4.939 -2.106 338 2HB CYS 70 2HB CYS 70 -2.226 7.890 -2.734 339 H TRP 71 H TRP 71 -3.598 4.821 -4.115 340 HA TRP 71 HA TRP 71 -2.018 5.414 -6.522 341 2HB TRP 71 2HB TRP 71 -2.497 3.350 -7.470 342 HD1 TRP 71 HD TRP 71 -2.573 2.979 -3.564 343 HE1 TRP 71 1HE TRP 71 -0.585 1.443 -2.753 344 HE3 TRP 71 3HE TRP 71 -0.683 2.081 -8.198 345 HZ2 TRP 71 2HZ TRP 71 1.507 0.056 -4.111 346 HZ3 TRP 71 3HZ TRP 71 1.334 0.626 -8.368 347 HH2 TRP 71 HH TRP 71 2.423 -0.373 -6.421 348 HA PRO 72 HA PRO 72 -5.803 7.512 -7.282 349 2HB PRO 72 2HB PRO 72 -4.723 9.451 -7.896 350 2HG PRO 72 2HG PRO 72 -2.477 9.198 -8.358 351 2HD PRO 72 2HD PRO 72 -2.021 7.303 -7.138 352 H GLN 73 H GLN 73 -6.628 5.252 -7.590 353 HA GLN 73 HA GLN 73 -7.757 3.842 -8.793 354 2HB GLN 73 2HB GLN 73 -7.997 6.253 -10.628 355 2HG GLN 73 2HG GLN 73 -10.125 4.614 -11.261 356 1HE2 GLN 73 1HE2 GLN 73 -8.236 2.859 -13.007 357 2HE2 GLN 73 2HE2 GLN 73 -7.757 3.913 -14.295 358 H SER 74 H SER 74 -7.516 2.207 -10.445 359 HA SER 74 HA SER 74 -5.367 2.649 -12.321 360 2HB SER 74 2HB SER 74 -4.048 0.804 -11.644 361 HG SER 74 HG SER 74 -4.031 2.581 -10.031 362 H ALA 75 H ALA 75 -5.196 0.497 -13.776 363 HA ALA 75 HA ALA 75 -7.940 -0.084 -14.543 364 1HB ALA 75 1HB ALA 75 -5.791 -1.236 -16.171 365 2HB ALA 75 2HB ALA 75 -7.101 -0.125 -16.637 366 3HB ALA 75 3HB ALA 75 -5.597 0.517 -15.934 367 HA PRO 76 HA PRO 76 -7.783 -4.107 -12.962 368 2HB PRO 76 2HB PRO 76 -10.065 -4.348 -13.145 369 2HG PRO 76 2HG PRO 76 -11.061 -2.953 -14.689 370 2HD PRO 76 2HD PRO 76 -9.513 -1.254 -14.761 371 H GLY 77 H GLY 77 -6.853 -6.153 -13.107 372 1HA GLY 77 1HA GLY 77 -5.183 -7.438 -13.951 373 2HA GLY 77 2HA GLY 77 -6.316 -7.620 -15.275 374 H ALA 78 H ALA 78 -4.575 -4.609 -14.302 375 HA ALA 78 HA ALA 78 -3.331 -4.638 -16.961 376 1HB ALA 78 1HB ALA 78 -3.091 -2.101 -16.322 377 2HB ALA 78 2HB ALA 78 -4.668 -2.724 -16.862 378 3HB ALA 78 3HB ALA 78 -4.357 -2.471 -15.127 379 H LEU 79 H LEU 79 -2.687 -5.556 -13.866 380 HA LEU 79 HA LEU 79 -0.874 -5.756 -12.617 381 2HB LEU 79 2HB LEU 79 1.247 -5.447 -14.456 382 HG LEU 79 HG LEU 79 1.346 -7.895 -14.493 383 1HD1 LEU 79 1HD1 LEU 79 1.585 -8.269 -12.040 384 2HD1 LEU 79 2HD1 LEU 79 2.395 -6.800 -12.635 385 3HD1 LEU 79 3HD1 LEU 79 0.847 -6.673 -11.768 386 1HD2 LEU 79 1HD2 LEU 79 -0.294 -9.323 -13.772 387 2HD2 LEU 79 2HD2 LEU 79 -1.023 -8.121 -12.680 388 3HD2 LEU 79 3HD2 LEU 79 -1.286 -8.003 -14.437 389 H VAL 80 H VAL 80 -0.893 -4.016 -11.230 390 HA VAL 80 HA VAL 80 0.197 -1.503 -12.228 391 HB VAL 80 HB VAL 80 -1.309 -2.297 -9.735 392 1HG1 VAL 80 1HG1 VAL 80 -1.157 0.530 -9.952 393 2HG1 VAL 80 2HG1 VAL 80 -0.492 -0.516 -8.675 394 3HG1 VAL 80 3HG1 VAL 80 0.504 -0.096 -10.089 395 1HG2 VAL 80 1HG2 VAL 80 -1.993 -0.725 -12.224 396 2HG2 VAL 80 2HG2 VAL 80 -2.827 -2.134 -11.523 397 3HG2 VAL 80 3HG2 VAL 80 -2.924 -0.550 -10.716 398 H GLU 81 H GLU 81 2.281 -3.020 -12.380 399 HA GLU 81 HA GLU 81 3.539 -3.424 -9.859 400 2HB GLU 81 2HB GLU 81 5.061 -3.509 -12.457 401 2HG GLU 81 2HG GLU 81 5.384 -5.903 -11.113 402 H ARG 82 H ARG 82 5.368 -2.288 -9.008 403 HA ARG 82 HA ARG 82 6.712 -0.315 -10.327 404 2HB ARG 82 2HB ARG 82 4.495 0.888 -10.321 405 2HG ARG 82 2HG ARG 82 4.890 0.696 -7.301 406 2HD ARG 82 2HD ARG 82 4.246 3.000 -7.786 407 HE ARG 82 HE ARG 82 1.881 2.186 -9.382 408 1HH1 ARG 82 2HH2 ARG 82 5.110 3.584 -9.341 409 2HH1 ARG 82 1HH2 ARG 82 4.949 4.320 -10.901 410 1HH2 ARG 82 2HH1 ARG 82 1.669 3.156 -11.440 411 2HH2 ARG 82 1HH1 ARG 82 2.979 4.075 -12.104 412 HA PRO 83 HA PRO 83 8.858 -0.706 -6.551 413 2HB PRO 83 2HB PRO 83 10.861 -0.130 -7.530 414 2HG PRO 83 2HG PRO 83 10.664 1.101 -9.471 415 2HD PRO 83 2HD PRO 83 8.556 0.474 -10.140 416 H CYS 84 H CYS 84 10.030 1.230 -4.887 417 HA CYS 84 HA CYS 84 7.637 2.685 -4.046 418 2HB CYS 84 2HB CYS 84 7.448 1.354 -2.286 419 HA PRO 85 HA PRO 85 11.452 5.215 -4.355 420 2HB PRO 85 2HB PRO 85 11.592 5.532 -6.631 421 2HG PRO 85 2HG PRO 85 9.764 4.787 -7.822 422 2HD PRO 85 2HD PRO 85 8.947 3.204 -6.368 423 H GLU 86 H GLU 86 10.374 5.449 -2.145 424 HA GLU 86 HA GLU 86 10.339 8.049 -1.516 425 2HB GLU 86 2HB GLU 86 8.446 8.641 -2.797 426 2HG GLU 86 2HG GLU 86 6.780 6.368 -1.684 427 H TYR 87 H TYR 87 10.593 8.066 0.689 428 HA TYR 87 HA TYR 87 10.905 6.148 2.342 429 2HB TYR 87 2HB TYR 87 9.388 7.632 4.008 430 HD1 TYR 87 1HD TYR 87 11.899 7.081 4.627 431 HD2 TYR 87 2HD TYR 87 10.679 10.370 2.177 432 HE1 TYR 87 1HE TYR 87 14.087 8.275 5.127 433 HE2 TYR 87 2HE TYR 87 12.872 11.553 2.685 434 HH TYR 87 HH TYR 87 14.839 10.703 5.182 435 H PHE 88 H PHE 88 9.912 4.143 1.908 436 HA PHE 88 HA PHE 88 7.017 4.078 2.359 437 2HB PHE 88 2HB PHE 88 7.609 3.091 0.236 438 HD1 PHE 88 1HD PHE 88 9.328 0.334 1.821 439 HD2 PHE 88 2HD PHE 88 9.874 3.921 -0.379 440 HE1 PHE 88 1HE PHE 88 11.667 -0.374 1.249 441 HE2 PHE 88 2HE PHE 88 12.213 3.213 -0.951 442 HZ PHE 88 HZ PHE 88 13.082 1.074 -0.131 443 H ASN 89 H ASN 89 9.860 3.754 4.056 444 HA ASN 89 HA ASN 89 8.700 2.606 6.228 445 2HB ASN 89 2HB ASN 89 8.591 0.468 5.014 446 1HD2 ASN 89 1HD2 ASN 89 9.498 -1.143 3.786 447 2HD2 ASN 89 2HD2 ASN 89 10.969 -0.959 2.890 448 H GLY 90 H GLY 90 10.309 4.775 5.957 449 1HA GLY 90 1HA GLY 90 12.060 5.596 7.223 450 2HA GLY 90 2HA GLY 90 12.755 3.992 7.344 451 H ILE 91 H ILE 91 12.984 3.106 4.734 452 HA ILE 91 HA ILE 91 15.139 4.747 3.811 453 HB ILE 91 HB ILE 91 14.669 2.094 3.830 454 2HG1 ILE 91 2HG1 ILE 91 16.521 3.845 2.256 455 1HG2 ILE 91 1HG2 ILE 91 12.905 2.467 2.026 456 2HG2 ILE 91 2HG2 ILE 91 14.261 2.817 0.927 457 3HG2 ILE 91 3HG2 ILE 91 14.138 1.223 1.711 458 1HD1 ILE 91 1HD1 ILE 91 16.571 2.963 4.820 459 2HD1 ILE 91 2HD1 ILE 91 17.366 1.580 4.028 460 3HD1 ILE 91 3HD1 ILE 91 18.053 3.215 3.865 461 H LYS 92 H LYS 92 15.121 6.257 2.211 462 HA LYS 92 HA LYS 92 12.567 6.958 1.115 463 2HB LYS 92 2HB LYS 92 14.142 8.666 1.893 464 2HG LYS 92 2HG LYS 92 15.906 8.588 -0.442 465 2HD LYS 92 2HD LYS 92 15.946 9.437 2.267 466 2HE LYS 92 2HE LYS 92 18.261 7.528 1.711 467 1HZ LYS 92 1HZ LYS 92 17.978 8.028 4.341 468 2HZ LYS 92 2HZ LYS 92 19.063 8.748 3.355 469 3HZ LYS 92 3HZ LYS 92 17.639 9.480 3.675 470 H TYR 93 H TYR 93 14.260 7.886 -1.400 471 HA TYR 93 HA TYR 93 13.901 5.331 -2.811 472 2HB TYR 93 2HB TYR 93 12.386 6.873 -3.795 473 HD1 TYR 93 1HD TYR 93 15.463 8.937 -3.153 474 HD2 TYR 93 2HD TYR 93 11.190 8.795 -3.312 475 HE1 TYR 93 1HE TYR 93 15.347 11.360 -2.388 476 HE2 TYR 93 2HE TYR 93 11.088 11.218 -2.548 477 HH TYR 93 HH TYR 93 12.327 13.106 -2.387 478 H ASN 94 H ASN 94 16.230 5.027 -1.858 479 HA ASN 94 HA ASN 94 18.073 6.299 -3.726 480 2HB ASN 94 2HB ASN 94 18.393 6.826 -1.237 481 1HD2 ASN 94 1HD2 ASN 94 16.920 5.271 -0.169 482 2HD2 ASN 94 2HD2 ASN 94 17.600 3.924 0.681 483 H THR 95 H THR 95 17.046 3.344 -1.940 484 HA THR 95 HA THR 95 19.015 1.658 -3.157 485 HB THR 95 HB THR 95 18.249 1.035 -0.972 486 HG1 THR 95 1HG THR 95 18.263 -0.816 -2.344 487 1HG2 THR 95 1HG2 THR 95 15.482 1.559 -2.134 488 2HG2 THR 95 2HG2 THR 95 15.692 0.473 -0.739 489 3HG2 THR 95 3HG2 THR 95 16.178 2.181 -0.619 490 H THR 96 H THR 96 18.134 -0.468 -4.254 491 HA THR 96 HA THR 96 16.435 0.478 -6.461 492 HB THR 96 HB THR 96 18.808 -0.202 -6.978 493 HG1 THR 96 1HG THR 96 18.008 -1.771 -8.623 494 1HG2 THR 96 1HG2 THR 96 17.905 -3.047 -6.386 495 2HG2 THR 96 2HG2 THR 96 19.551 -2.453 -6.708 496 3HG2 THR 96 3HG2 THR 96 18.767 -2.100 -5.150 497 H ARG 97 H ARG 97 14.920 -0.024 -4.305 498 HA ARG 97 HA ARG 97 14.242 -2.769 -4.190 499 2HB ARG 97 2HB ARG 97 12.385 -1.963 -2.698 500 2HG ARG 97 2HG ARG 97 13.940 -0.558 -1.111 501 2HD ARG 97 2HD ARG 97 13.527 -3.129 -1.116 502 HE ARG 97 HE ARG 97 14.841 -4.046 -2.862 503 1HH1 ARG 97 2HH2 ARG 97 16.825 -2.099 -0.704 504 2HH1 ARG 97 1HH2 ARG 97 18.324 -2.676 -1.354 505 1HH2 ARG 97 2HH1 ARG 97 16.818 -4.808 -3.719 506 2HH2 ARG 97 1HH1 ARG 97 18.319 -4.226 -3.081 507 H ASN 98 H ASN 98 11.792 -3.408 -4.502 508 HA ASN 98 HA ASN 98 10.611 -1.896 -6.666 509 2HB ASN 98 2HB ASN 98 10.238 -3.943 -8.012 510 1HD2 ASN 98 1HD2 ASN 98 12.626 -5.731 -7.955 511 2HD2 ASN 98 2HD2 ASN 98 13.944 -4.798 -8.582 512 H ALA 99 H ALA 99 8.248 -2.479 -6.925 513 HA ALA 99 HA ALA 99 7.189 -4.040 -4.685 514 1HB ALA 99 1HB ALA 99 5.511 -1.751 -5.329 515 2HB ALA 99 2HB ALA 99 6.183 -2.254 -3.759 516 3HB ALA 99 3HB ALA 99 7.142 -1.225 -4.849 517 H TYR 100 H TYR 100 4.654 -4.304 -5.123 518 HA TYR 100 HA TYR 100 4.036 -4.399 -7.944 519 2HB TYR 100 2HB TYR 100 3.467 -6.940 -7.517 520 HD1 TYR 100 1HD TYR 100 6.895 -6.117 -6.299 521 HD2 TYR 100 2HD TYR 100 4.486 -7.362 -9.608 522 HE1 TYR 100 1HE TYR 100 8.992 -6.624 -7.644 523 HE2 TYR 100 2HE TYR 100 6.592 -7.865 -10.941 524 HH TYR 100 HH TYR 100 8.746 -7.894 -10.956 525 H ARG 101 H ARG 101 1.840 -4.216 -8.301 526 HA ARG 101 HA ARG 101 0.127 -4.779 -6.042 527 2HB ARG 101 2HB ARG 101 -0.914 -2.423 -7.320 528 2HG ARG 101 2HG ARG 101 0.294 -1.710 -4.842 529 2HD ARG 101 2HD ARG 101 -2.384 -2.183 -5.972 530 HE ARG 101 HE ARG 101 -3.166 -3.479 -4.198 531 1HH1 ARG 101 2HH2 ARG 101 -0.721 -1.264 -2.974 532 2HH1 ARG 101 1HH2 ARG 101 -0.943 -1.731 -1.320 533 1HH2 ARG 101 2HH1 ARG 101 -3.459 -4.096 -2.018 534 2HH2 ARG 101 1HH1 ARG 101 -2.511 -3.352 -0.773 535 H GLU 102 H GLU 102 0.580 -6.325 -8.415 536 HA GLU 102 HA GLU 102 -0.763 -5.927 -10.623 537 2HB GLU 102 2HB GLU 102 0.247 -8.034 -10.436 538 2HG GLU 102 2HG GLU 102 -1.298 -9.378 -8.388 539 H CYS 103 H CYS 103 -2.817 -5.451 -11.310 540 HA CYS 103 HA CYS 103 -4.863 -5.355 -9.270 541 2HB CYS 103 2HB CYS 103 -6.011 -4.452 -11.608 542 H LEU 104 H LEU 104 -6.940 -6.444 -9.542 543 HA LEU 104 HA LEU 104 -6.655 -8.936 -10.985 544 2HB LEU 104 2HB LEU 104 -9.023 -9.190 -9.837 545 HG LEU 104 HG LEU 104 -6.566 -10.136 -9.156 546 1HD1 LEU 104 1HD1 LEU 104 -6.716 -7.897 -7.571 547 2HD1 LEU 104 2HD1 LEU 104 -7.289 -9.180 -6.479 548 3HD1 LEU 104 3HD1 LEU 104 -5.697 -9.324 -7.264 549 1HD2 LEU 104 1HD2 LEU 104 -7.717 -11.538 -7.523 550 2HD2 LEU 104 2HD2 LEU 104 -9.101 -10.420 -7.518 551 3HD2 LEU 104 3HD2 LEU 104 -8.698 -11.331 -8.993 552 H GLU 105 H GLU 105 -8.202 -9.702 -12.555 553 HA GLU 105 HA GLU 105 -9.028 -7.590 -14.259 554 2HB GLU 105 2HB GLU 105 -8.078 -9.721 -15.124 555 2HG GLU 105 2HG GLU 105 -10.736 -10.948 -14.255 556 H ASN 106 H ASN 106 -10.341 -8.681 -11.452 557 HA ASN 106 HA ASN 106 -13.055 -8.790 -12.434 558 2HB ASN 106 2HB ASN 106 -12.430 -8.875 -9.487 559 1HD2 ASN 106 1HD2 ASN 106 -13.308 -11.394 -11.793 560 2HD2 ASN 106 2HD2 ASN 106 -14.961 -11.587 -11.314 561 H GLY 107 H GLY 107 -10.845 -6.429 -11.774 562 1HA GLY 107 1HA GLY 107 -11.141 -4.192 -11.498 563 2HA GLY 107 2HA GLY 107 -12.847 -4.445 -11.189 564 H THR 108 H THR 108 -9.941 -5.854 -9.535 565 HA THR 108 HA THR 108 -10.692 -4.368 -7.123 566 HB THR 108 HB THR 108 -10.218 -6.640 -5.915 567 HG1 THR 108 1HG THR 108 -10.956 -7.471 -8.626 568 1HG2 THR 108 1HG2 THR 108 -12.557 -7.548 -7.109 569 2HG2 THR 108 2HG2 THR 108 -12.506 -6.396 -5.753 570 3HG2 THR 108 3HG2 THR 108 -12.644 -5.798 -7.424 571 H TRP 109 H TRP 109 -8.958 -4.214 -5.522 572 HA TRP 109 HA TRP 109 -6.468 -3.780 -6.867 573 2HB TRP 109 2HB TRP 109 -6.043 -3.440 -4.151 574 HD1 TRP 109 HD TRP 109 -7.730 -0.403 -4.386 575 HE1 TRP 109 1HE TRP 109 -6.531 1.542 -5.706 576 HE3 TRP 109 3HE TRP 109 -4.481 -3.401 -6.898 577 HZ2 TRP 109 2HZ TRP 109 -4.406 1.606 -7.610 578 HZ3 TRP 109 3HZ TRP 109 -2.877 -2.317 -8.468 579 HH2 TRP 109 HH TRP 109 -2.806 0.097 -8.843 580 H ALA 110 H ALA 110 -4.560 -4.515 -4.949 581 HA ALA 110 HA ALA 110 -4.703 -7.426 -5.181 582 1HB ALA 110 1HB ALA 110 -2.437 -7.370 -5.471 583 2HB ALA 110 2HB ALA 110 -2.763 -5.686 -5.947 584 3HB ALA 110 3HB ALA 110 -2.211 -6.054 -4.294 585 H SER 111 H SER 111 -2.865 -8.125 -3.166 586 HA SER 111 HA SER 111 -4.587 -7.779 -0.898 587 2HB SER 111 2HB SER 111 -3.951 -9.994 -0.938 588 HG SER 111 HG SER 111 -1.205 -9.654 -1.523 589 H ARG 112 H ARG 112 -1.202 -7.065 -1.933 590 HA ARG 112 HA ARG 112 -1.127 -4.827 -0.255 591 2HB ARG 112 2HB ARG 112 1.171 -6.303 0.683 592 2HG ARG 112 2HG ARG 112 -1.375 -5.602 2.210 593 2HD ARG 112 2HD ARG 112 0.464 -5.102 3.990 594 HE ARG 112 HE ARG 112 0.535 -7.970 3.721 595 1HH1 ARG 112 2HH2 ARG 112 -1.723 -5.305 4.144 596 2HH1 ARG 112 1HH2 ARG 112 -2.917 -6.275 4.940 597 1HH2 ARG 112 2HH1 ARG 112 -1.039 -9.250 4.772 598 2HH2 ARG 112 1HH1 ARG 112 -2.525 -8.534 5.300 599 H VAL 113 H VAL 113 1.017 -3.644 -0.507 600 HA VAL 113 HA VAL 113 2.410 -4.581 -2.921 601 HB VAL 113 HB VAL 113 0.901 -2.594 -3.189 602 1HG1 VAL 113 1HG1 VAL 113 2.554 -0.533 -2.221 603 2HG1 VAL 113 2HG1 VAL 113 0.942 -0.998 -1.628 604 3HG1 VAL 113 3HG1 VAL 113 2.400 -1.692 -0.879 605 1HG2 VAL 113 1HG2 VAL 113 2.280 -1.668 -4.769 606 2HG2 VAL 113 2HG2 VAL 113 3.690 -1.632 -3.684 607 3HG2 VAL 113 3HG2 VAL 113 3.183 -3.164 -4.433 608 H ASN 114 H ASN 114 4.703 -3.591 -3.067 609 HA ASN 114 HA ASN 114 6.705 -3.396 -2.258 610 2HB ASN 114 2HB ASN 114 7.096 -2.188 -0.158 611 1HD2 ASN 114 1HD2 ASN 114 7.037 -1.127 -2.421 612 2HD2 ASN 114 2HD2 ASN 114 5.927 0.188 -2.618 613 H TYR 115 H TYR 115 7.374 -5.597 -2.201 614 HA TYR 115 HA TYR 115 7.866 -6.769 0.284 615 2HB TYR 115 2HB TYR 115 5.380 -7.138 0.204 616 HD1 TYR 115 1HD TYR 115 4.900 -5.926 -2.157 617 HD2 TYR 115 2HD TYR 115 5.487 -10.129 -1.605 618 HE1 TYR 115 1HE TYR 115 3.648 -6.393 -4.320 619 HE2 TYR 115 2HE TYR 115 4.233 -10.581 -3.771 620 HH TYR 115 HH TYR 115 2.726 -7.931 -5.567 621 H SER 116 H SER 116 7.240 -7.200 -3.229 622 HA SER 116 HA SER 116 8.622 -9.543 -3.559 623 2HB SER 116 2HB SER 116 8.950 -7.584 -5.760 624 HG SER 116 HG SER 116 8.876 -9.566 -6.606 625 H HIS 117 H HIS 117 9.757 -6.371 -2.710 626 HA HIS 117 HA HIS 117 12.303 -7.118 -2.171 627 2HB HIS 117 2HB HIS 117 13.201 -5.664 -4.347 628 HD1 HIS 117 1HD HIS 117 14.439 -7.639 -2.324 629 HD2 HIS 117 2HD HIS 117 13.311 -8.687 -6.226 630 HE1 HIS 117 1HE HIS 117 15.808 -9.704 -2.933 631 H CYS 118 H CYS 118 10.246 -5.528 -1.081 632 HA CYS 118 HA CYS 118 11.551 -2.909 -1.161 633 2HB CYS 118 2HB CYS 118 8.584 -3.355 -0.796 634 H GLU 119 H GLU 119 9.182 -4.982 0.681 635 HA GLU 119 HA GLU 119 9.565 -3.802 3.110 636 2HB GLU 119 2HB GLU 119 9.170 -6.719 3.288 637 2HG GLU 119 2HG GLU 119 8.399 -5.077 5.000 638 HA PRO 120 HA PRO 120 13.065 -6.914 3.863 639 2HB PRO 120 2HB PRO 120 12.806 -9.017 2.962 640 2HG PRO 120 2HG PRO 120 11.354 -9.127 1.173 641 2HD PRO 120 2HD PRO 120 10.053 -7.277 1.591 642 H ILE 121 H ILE 121 13.550 -4.474 3.703 643 HA ILE 121 HA ILE 121 15.625 -4.100 1.682 644 HB ILE 121 HB ILE 121 13.847 -2.450 1.773 645 2HG1 ILE 121 2HG1 ILE 121 15.214 -0.474 1.784 646 1HG2 ILE 121 1HG2 ILE 121 14.158 -2.720 4.601 647 2HG2 ILE 121 2HG2 ILE 121 14.446 -1.022 4.153 648 3HG2 ILE 121 3HG2 ILE 121 12.926 -1.820 3.686 649 1HD1 ILE 121 1HD1 ILE 121 17.071 -0.153 3.082 650 2HD1 ILE 121 2HD1 ILE 121 16.391 -1.475 4.062 651 3HD1 ILE 121 3HD1 ILE 121 17.642 -1.821 2.844 652 H LEU 122 H LEU 122 17.704 -4.455 2.221 653 HA LEU 122 HA LEU 122 18.614 -5.335 4.582 654 2HB LEU 122 2HB LEU 122 19.938 -5.366 2.596 655 HG LEU 122 HG LEU 122 19.671 -2.423 2.652 656 1HD1 LEU 122 1HD1 LEU 122 22.092 -2.951 3.366 657 2HD1 LEU 122 2HD1 LEU 122 22.308 -3.517 1.692 658 3HD1 LEU 122 3HD1 LEU 122 21.830 -1.831 2.006 659 1HD2 LEU 122 1HD2 LEU 122 20.656 -3.642 0.207 660 2HD2 LEU 122 2HD2 LEU 122 19.232 -4.498 0.844 661 3HD2 LEU 122 3HD2 LEU 122 19.148 -2.750 0.516 662 H ASP 123 H ASP 123 18.100 -4.532 6.562 663 HA ASP 123 HA ASP 123 19.266 -2.103 7.322 664 2HB ASP 123 2HB ASP 123 17.282 -1.130 6.229 665 H ASP 124 H ASP 124 19.899 -4.335 8.495 666 HA ASP 124 HA ASP 124 19.042 -4.179 11.080 667 2HB ASP 124 2HB ASP 124 18.009 -6.818 10.341 668 H LYS 125 H LYS 125 19.729 -6.420 12.286 669 HA LYS 125 HA LYS 125 21.682 -7.903 10.744 670 2HB LYS 125 2HB LYS 125 22.490 -6.335 13.212 671 2HG LYS 125 2HG LYS 125 23.649 -8.615 11.744 672 2HD LYS 125 2HD LYS 125 25.983 -7.216 12.324 673 2HE LYS 125 2HE LYS 125 24.512 -8.061 9.870 674 1HZ LYS 125 1HZ LYS 125 25.784 -5.649 9.827 675 2HZ LYS 125 2HZ LYS 125 26.857 -6.686 9.163 676 3HZ LYS 125 3HZ LYS 125 25.356 -6.548 8.533 677 H GLN 126 H GLN 126 19.296 -8.916 11.467 678 HA GLN 126 HA GLN 126 18.188 -10.255 12.828 679 2HB GLN 126 2HB GLN 126 19.115 -12.398 12.802 680 2HG GLN 126 2HG GLN 126 21.309 -11.242 11.099 681 1HE2 GLN 126 1HE2 GLN 126 18.153 -12.877 10.833 682 2HE2 GLN 126 2HE2 GLN 126 18.724 -14.336 10.094 683 H ARG 127 H ARG 127 18.518 -8.180 14.419 684 HA ARG 127 HA ARG 127 18.529 -9.217 16.935 685 2HB ARG 127 2HB ARG 127 21.015 -7.523 16.760 686 2HG ARG 127 2HG ARG 127 19.709 -9.318 18.649 687 2HD ARG 127 2HD ARG 127 22.204 -10.307 17.444 688 HE ARG 127 HE ARG 127 23.520 -9.601 19.267 689 1HH1 ARG 127 2HH2 ARG 127 20.460 -10.895 20.427 690 2HH1 ARG 127 1HH2 ARG 127 20.951 -10.913 22.088 691 1HH2 ARG 127 2HH1 ARG 127 24.168 -9.626 21.458 692 2HH2 ARG 127 1HH1 ARG 127 23.074 -10.186 22.678 693 H LYS 128 H LYS 128 18.516 -7.358 18.653 694 HA LYS 128 HA LYS 128 17.302 -5.039 17.369 695 2HB LYS 128 2HB LYS 128 17.222 -6.071 20.218 696 2HG LYS 128 2HG LYS 128 17.050 -3.457 19.706 697 2HD LYS 128 2HD LYS 128 14.196 -3.589 19.532 698 2HE LYS 128 2HE LYS 128 16.473 -2.295 18.182 699 1HZ LYS 128 1HZ LYS 128 14.554 -3.542 16.572 700 2HZ LYS 128 2HZ LYS 128 14.397 -1.922 16.433 701 3HZ LYS 128 3HZ LYS 128 15.833 -2.633 16.119 702 H TYR 129 H TYR 129 19.613 -5.775 20.081 703 HA TYR 129 HA TYR 129 21.278 -4.579 20.937 704 2HB TYR 129 2HB TYR 129 21.899 -3.181 18.377 705 HD1 TYR 129 1HD TYR 129 24.194 -2.865 18.219 706 HD2 TYR 129 2HD TYR 129 22.719 -6.233 20.406 707 HE1 TYR 129 1HE TYR 129 26.566 -3.463 18.913 708 HE2 TYR 129 2HE TYR 129 25.095 -6.820 21.093 709 HH TYR 129 HH TYR 129 27.706 -4.645 20.586 710 H ASP 130 H ASP 130 22.390 -2.229 20.939 711 HA ASP 130 HA ASP 130 22.177 -0.124 21.410 712 2HB ASP 130 2HB ASP 130 20.993 1.295 19.949 713 H LEU 131 H LEU 131 21.471 0.432 23.475 714 HA LEU 131 HA LEU 131 18.776 0.863 24.065 715 2HB LEU 131 2HB LEU 131 19.826 -1.589 25.456 716 HG LEU 131 HG LEU 131 17.838 -0.275 26.402 717 1HD1 LEU 131 1HD1 LEU 131 15.733 -1.350 24.982 718 2HD1 LEU 131 2HD1 LEU 131 16.298 0.337 24.908 719 3HD1 LEU 131 3HD1 LEU 131 16.862 -0.844 23.703 720 1HD2 LEU 131 1HD2 LEU 131 16.851 -2.220 27.218 721 2HD2 LEU 131 2HD2 LEU 131 17.121 -3.116 25.704 722 3HD2 LEU 131 3HD2 LEU 131 18.493 -2.743 26.775 723 H HIS 132 H HIS 132 18.670 2.249 25.795 724 HA HIS 132 HA HIS 132 19.424 3.641 27.320 725 2HB HIS 132 2HB HIS 132 21.213 2.153 28.888 726 HD1 HIS 132 1HD HIS 132 17.525 2.836 28.227 727 HD2 HIS 132 2HD HIS 132 20.143 2.237 31.448 728 HE1 HIS 132 1HE HIS 132 16.198 3.379 30.338 729 HE2 HIS 132 2HE HIS 132 17.843 2.940 32.287 730 H TYR 133 H TYR 133 21.555 4.578 28.438 731 HA TYR 133 HA TYR 133 23.345 5.097 26.233 732 2HB TYR 133 2HB TYR 133 23.279 5.994 29.182 733 HD1 TYR 133 1HD TYR 133 23.412 8.217 26.262 734 HD2 TYR 133 2HD TYR 133 25.710 6.289 29.311 735 HE1 TYR 133 1HE TYR 133 25.377 9.749 25.759 736 HE2 TYR 133 2HE TYR 133 27.668 7.828 28.798 737 HH TYR 133 HH TYR 133 27.478 10.571 27.378 Start of MODEL 6 1 1H GLY 15 H GLY 15 -60.279 3.906 -13.996 2 1HA GLY 15 1HA GLY 15 -62.111 2.113 -13.776 3 2HA GLY 15 2HA GLY 15 -61.246 1.691 -12.312 4 H SER 16 H SER 16 -63.505 2.289 -11.419 5 HA SER 16 HA SER 16 -64.725 3.603 -10.198 6 2HB SER 16 2HB SER 16 -63.528 5.927 -9.538 7 HG SER 16 HG SER 16 -62.781 4.870 -7.755 8 H GLY 17 H GLY 17 -66.236 5.425 -10.358 9 1HA GLY 17 1HA GLY 17 -66.333 6.513 -13.078 10 2HA GLY 17 2HA GLY 17 -67.651 6.412 -11.928 11 H MET 18 H MET 18 -67.857 7.991 -10.227 12 HA MET 18 HA MET 18 -67.936 10.135 -9.702 13 2HB MET 18 2HB MET 18 -65.640 10.905 -8.757 14 2HG MET 18 2HG MET 18 -65.511 8.563 -7.351 15 1HE MET 18 1HE MET 18 -65.484 11.390 -5.149 16 2HE MET 18 2HE MET 18 -64.666 10.670 -6.557 17 3HE MET 18 3HE MET 18 -65.606 12.171 -6.744 18 H LYS 19 H LYS 19 -68.517 10.898 -11.909 19 HA LYS 19 HA LYS 19 -66.852 11.595 -13.903 20 2HB LYS 19 2HB LYS 19 -69.139 11.850 -14.285 21 2HG LYS 19 2HG LYS 19 -69.845 14.091 -12.578 22 2HD LYS 19 2HD LYS 19 -70.914 11.323 -12.110 23 2HE LYS 19 2HE LYS 19 -72.254 13.993 -12.754 24 1HZ LYS 19 1HZ LYS 19 -73.602 11.976 -11.254 25 2HZ LYS 19 2HZ LYS 19 -74.147 12.893 -12.491 26 3HZ LYS 19 3HZ LYS 19 -73.292 11.534 -12.796 27 H GLU 20 H GLU 20 -65.221 13.027 -14.282 28 HA GLU 20 HA GLU 20 -64.277 14.487 -12.043 29 2HB GLU 20 2HB GLU 20 -62.679 15.316 -14.095 30 2HG GLU 20 2HG GLU 20 -61.752 12.711 -13.614 31 H THR 21 H THR 21 -64.019 16.804 -11.873 32 HA THR 21 HA THR 21 -65.897 18.272 -13.603 33 HB THR 21 HB THR 21 -66.137 19.769 -11.605 34 HG1 THR 21 1HG THR 21 -64.464 19.530 -10.178 35 1HG2 THR 21 1HG2 THR 21 -66.345 16.881 -10.640 36 2HG2 THR 21 2HG2 THR 21 -67.348 18.271 -10.158 37 3HG2 THR 21 3HG2 THR 21 -67.520 17.570 -11.786 38 H ALA 22 H ALA 22 -62.689 18.376 -11.965 39 HA ALA 22 HA ALA 22 -61.663 19.890 -14.169 40 1HB ALA 22 1HB ALA 22 -62.602 21.759 -13.004 41 2HB ALA 22 2HB ALA 22 -62.037 21.149 -11.429 42 3HB ALA 22 3HB ALA 22 -60.863 21.754 -12.622 43 H ALA 23 H ALA 23 -60.948 19.336 -10.642 44 HA ALA 23 HA ALA 23 -59.309 18.228 -9.644 45 1HB ALA 23 1HB ALA 23 -59.016 16.185 -10.528 46 2HB ALA 23 2HB ALA 23 -59.776 16.755 -12.034 47 3HB ALA 23 3HB ALA 23 -58.011 16.863 -11.831 48 H ALA 24 H ALA 24 -56.822 18.099 -9.551 49 HA ALA 24 HA ALA 24 -55.563 20.083 -11.277 50 1HB ALA 24 1HB ALA 24 -55.695 20.217 -8.239 51 2HB ALA 24 2HB ALA 24 -54.571 21.173 -9.234 52 3HB ALA 24 3HB ALA 24 -56.327 21.410 -9.399 53 H LYS 25 H LYS 25 -53.061 20.146 -10.518 54 HA LYS 25 HA LYS 25 -52.207 17.537 -9.602 55 2HB LYS 25 2HB LYS 25 -52.546 17.196 -12.011 56 2HG LYS 25 2HG LYS 25 -51.739 19.804 -12.336 57 2HD LYS 25 2HD LYS 25 -49.407 18.069 -13.268 58 2HE LYS 25 2HE LYS 25 -48.748 20.832 -13.113 59 1HZ LYS 25 1HZ LYS 25 -48.538 18.800 -14.864 60 2HZ LYS 25 2HZ LYS 25 -49.470 19.864 -15.680 61 3HZ LYS 25 3HZ LYS 25 -48.008 20.324 -15.119 62 H PHE 26 H PHE 26 -50.284 17.655 -8.480 63 HA PHE 26 HA PHE 26 -48.336 19.593 -8.938 64 2HB PHE 26 2HB PHE 26 -50.287 20.996 -7.985 65 HD1 PHE 26 1HD PHE 26 -52.041 19.312 -7.138 66 HD2 PHE 26 2HD PHE 26 -48.764 20.641 -4.791 67 HE1 PHE 26 1HE PHE 26 -53.251 18.614 -5.053 68 HE2 PHE 26 2HE PHE 26 -49.974 19.943 -2.706 69 HZ PHE 26 HZ PHE 26 -52.204 18.938 -2.861 70 H GLU 27 H GLU 27 -46.704 19.653 -7.041 71 HA GLU 27 HA GLU 27 -45.604 18.699 -5.393 72 2HB GLU 27 2HB GLU 27 -47.344 16.298 -5.035 73 2HG GLU 27 2HG GLU 27 -45.386 17.466 -3.544 74 H ARG 28 H ARG 28 -44.439 16.423 -4.940 75 HA ARG 28 HA ARG 28 -43.210 14.811 -5.689 76 2HB ARG 28 2HB ARG 28 -44.872 14.458 -8.206 77 2HG ARG 28 2HG ARG 28 -44.590 12.031 -6.848 78 2HD ARG 28 2HD ARG 28 -42.708 11.638 -8.550 79 HE ARG 28 HE ARG 28 -44.855 12.793 -10.145 80 1HH1 ARG 28 2HH2 ARG 28 -44.067 10.185 -7.917 81 2HH1 ARG 28 1HH2 ARG 28 -45.318 9.137 -8.500 82 1HH2 ARG 28 2HH1 ARG 28 -46.504 11.412 -10.914 83 2HH2 ARG 28 1HH1 ARG 28 -46.713 9.840 -10.217 84 H GLN 29 H GLN 29 -41.431 16.268 -6.121 85 HA GLN 29 HA GLN 29 -41.198 17.006 -8.932 86 2HB GLN 29 2HB GLN 29 -39.886 18.238 -6.469 87 2HG GLN 29 2HG GLN 29 -39.701 19.932 -8.750 88 1HE2 GLN 29 1HE2 GLN 29 -37.388 20.316 -9.297 89 2HE2 GLN 29 2HE2 GLN 29 -36.203 20.122 -8.049 90 H HIS 30 H HIS 30 -39.234 15.990 -6.042 91 HA HIS 30 HA HIS 30 -38.032 13.865 -7.298 92 2HB HIS 30 2HB HIS 30 -35.825 15.783 -7.194 93 HD1 HIS 30 1HD HIS 30 -35.807 15.579 -10.508 94 HD2 HIS 30 2HD HIS 30 -35.920 12.477 -7.686 95 HE1 HIS 30 1HE HIS 30 -34.893 13.509 -11.685 96 H MET 31 H MET 31 -36.552 12.772 -5.865 97 HA MET 31 HA MET 31 -35.683 14.090 -3.519 98 2HB MET 31 2HB MET 31 -38.109 13.661 -2.970 99 2HG MET 31 2HG MET 31 -37.368 10.707 -3.205 100 1HE MET 31 1HE MET 31 -41.325 10.173 -3.588 101 2HE MET 31 2HE MET 31 -41.328 11.922 -3.921 102 3HE MET 31 3HE MET 31 -40.142 10.864 -4.724 103 H ASP 32 H ASP 32 -33.803 13.106 -2.872 104 HA ASP 32 HA ASP 32 -33.534 10.319 -2.894 105 2HB ASP 32 2HB ASP 32 -31.749 11.785 -4.881 106 H SER 33 H SER 33 -31.101 9.766 -2.302 107 HA SER 33 HA SER 33 -29.806 12.085 -1.131 108 2HB SER 33 2HB SER 33 -29.276 10.222 0.790 109 HG SER 33 HG SER 33 -30.677 11.381 2.072 110 HA PRO 34 HA PRO 34 -26.231 10.103 -2.621 111 2HB PRO 34 2HB PRO 34 -24.930 11.971 -2.278 112 2HG PRO 34 2HG PRO 34 -25.720 13.411 -0.660 113 2HD PRO 34 2HD PRO 34 -27.955 12.869 -0.687 114 H ASP 35 H ASP 35 -23.896 9.180 -1.415 115 HA ASP 35 HA ASP 35 -25.045 7.074 0.241 116 2HB ASP 35 2HB ASP 35 -24.542 5.884 -1.711 117 H LEU 36 H LEU 36 -23.815 6.597 2.130 118 HA LEU 36 HA LEU 36 -21.876 8.500 2.903 119 2HB LEU 36 2HB LEU 36 -21.633 6.876 4.862 120 HG LEU 36 HG LEU 36 -24.206 8.238 4.135 121 1HD1 LEU 36 1HD1 LEU 36 -23.819 6.249 6.355 122 2HD1 LEU 36 2HD1 LEU 36 -24.928 7.628 6.551 123 3HD1 LEU 36 3HD1 LEU 36 -25.190 6.454 5.239 124 1HD2 LEU 36 1HD2 LEU 36 -21.948 9.224 5.166 125 2HD2 LEU 36 2HD2 LEU 36 -23.556 9.857 5.587 126 3HD2 LEU 36 3HD2 LEU 36 -22.736 8.714 6.678 127 H GLY 37 H GLY 37 -21.511 4.891 2.690 128 1HA GLY 37 1HA GLY 37 -19.695 3.639 2.234 129 2HA GLY 37 2HA GLY 37 -19.469 4.736 0.885 130 H THR 38 H THR 38 -18.487 3.914 4.194 131 HA THR 38 HA THR 38 -16.930 4.833 5.558 132 HB THR 38 HB THR 38 -14.699 4.455 4.571 133 HG1 THR 38 1HG THR 38 -16.178 4.297 2.053 134 1HG2 THR 38 1HG2 THR 38 -15.723 2.459 2.820 135 2HG2 THR 38 2HG2 THR 38 -15.216 2.228 4.510 136 3HG2 THR 38 3HG2 THR 38 -16.917 2.592 4.133 137 H THR 39 H THR 39 -14.577 6.411 4.749 138 HA THR 39 HA THR 39 -15.857 8.987 4.954 139 HB THR 39 HB THR 39 -13.069 7.825 5.205 140 HG1 THR 39 1HG THR 39 -14.868 9.620 6.678 141 1HG2 THR 39 1HG2 THR 39 -12.256 9.795 4.267 142 2HG2 THR 39 2HG2 THR 39 -13.798 10.654 4.498 143 3HG2 THR 39 3HG2 THR 39 -12.682 10.444 5.868 144 H LEU 40 H LEU 40 -16.938 8.578 2.754 145 HA LEU 40 HA LEU 40 -17.119 9.101 0.617 146 2HB LEU 40 2HB LEU 40 -16.294 11.127 -0.069 147 HG LEU 40 HG LEU 40 -15.644 11.432 2.867 148 1HD1 LEU 40 1HD1 LEU 40 -15.240 13.519 2.189 149 2HD1 LEU 40 2HD1 LEU 40 -15.996 13.247 0.601 150 3HD1 LEU 40 3HD1 LEU 40 -17.004 13.671 2.005 151 1HD2 LEU 40 1HD2 LEU 40 -17.910 10.246 2.212 152 2HD2 LEU 40 2HD2 LEU 40 -17.849 11.495 3.480 153 3HD2 LEU 40 3HD2 LEU 40 -18.413 11.913 1.844 154 H LEU 41 H LEU 41 -14.742 9.940 -1.126 155 HA LEU 41 HA LEU 41 -13.755 7.209 -1.511 156 2HB LEU 41 2HB LEU 41 -15.076 8.180 -3.330 157 HG LEU 41 HG LEU 41 -13.689 10.556 -2.932 158 1HD1 LEU 41 1HD1 LEU 41 -11.981 9.060 -4.485 159 2HD1 LEU 41 2HD1 LEU 41 -12.888 10.000 -5.695 160 3HD1 LEU 41 3HD1 LEU 41 -12.018 10.837 -4.387 161 1HD2 LEU 41 1HD2 LEU 41 -14.803 10.941 -5.371 162 2HD2 LEU 41 2HD2 LEU 41 -15.662 9.472 -4.847 163 3HD2 LEU 41 3HD2 LEU 41 -15.712 10.940 -3.840 164 H GLU 42 H GLU 42 -12.742 9.092 0.548 165 HA GLU 42 HA GLU 42 -10.893 10.023 1.251 166 2HB GLU 42 2HB GLU 42 -8.780 8.566 0.230 167 2HG GLU 42 2HG GLU 42 -9.910 8.794 2.643 168 H GLN 43 H GLN 43 -11.669 11.801 -0.458 169 HA GLN 43 HA GLN 43 -10.608 12.240 -2.832 170 2HB GLN 43 2HB GLN 43 -12.074 13.883 -1.944 171 2HG GLN 43 2HG GLN 43 -10.943 15.388 0.003 172 1HE2 GLN 43 1HE2 GLN 43 -13.356 15.158 -0.466 173 2HE2 GLN 43 2HE2 GLN 43 -14.275 14.176 0.625 174 H TYR 44 H TYR 44 -8.542 11.539 -3.374 175 HA TYR 44 HA TYR 44 -6.383 13.198 -2.844 176 2HB TYR 44 2HB TYR 44 -5.896 10.545 -1.507 177 HD1 TYR 44 1HD TYR 44 -6.266 14.051 -0.228 178 HD2 TYR 44 2HD TYR 44 -3.619 10.798 -1.071 179 HE1 TYR 44 1HE TYR 44 -4.345 15.329 0.840 180 HE2 TYR 44 2HE TYR 44 -1.707 12.086 -0.001 181 HH TYR 44 HH TYR 44 -1.151 13.832 1.172 182 H CYS 45 H CYS 45 -4.630 12.685 -4.189 183 HA CYS 45 HA CYS 45 -3.499 11.656 -5.767 184 2HB CYS 45 2HB CYS 45 -3.112 9.416 -5.693 185 H HIS 46 H HIS 46 -4.283 12.617 -7.642 186 HA HIS 46 HA HIS 46 -6.923 12.181 -8.538 187 2HB HIS 46 2HB HIS 46 -4.722 13.237 -10.292 188 HD1 HIS 46 1HD HIS 46 -5.751 15.557 -11.457 189 HD2 HIS 46 2HD HIS 46 -8.468 12.738 -9.951 190 HE1 HIS 46 1HE HIS 46 -7.994 16.063 -12.563 191 H ARG 47 H ARG 47 -7.641 11.051 -10.454 192 HA ARG 47 HA ARG 47 -5.926 8.779 -10.977 193 2HB ARG 47 2HB ARG 47 -8.072 8.011 -10.306 194 2HG ARG 47 2HG ARG 47 -10.109 9.040 -11.760 195 2HD ARG 47 2HD ARG 47 -9.751 11.006 -9.751 196 HE ARG 47 HE ARG 47 -11.302 8.522 -10.035 197 1HH1 ARG 47 2HH2 ARG 47 -10.607 11.309 -8.002 198 2HH1 ARG 47 1HH2 ARG 47 -12.097 11.202 -7.126 199 1HH2 ARG 47 2HH1 ARG 47 -13.268 8.380 -8.878 200 2HH2 ARG 47 1HH1 ARG 47 -13.621 9.525 -7.627 201 H THR 48 H THR 48 -7.498 11.605 -12.442 202 HA THR 48 HA THR 48 -7.618 12.355 -14.553 203 HB THR 48 HB THR 48 -5.325 12.960 -13.945 204 HG1 THR 48 1HG THR 48 -4.964 13.288 -16.112 205 1HG2 THR 48 1HG2 THR 48 -4.627 10.148 -14.944 206 2HG2 THR 48 2HG2 THR 48 -3.432 11.426 -14.619 207 3HG2 THR 48 3HG2 THR 48 -4.405 10.758 -13.286 208 H THR 49 H THR 49 -8.932 9.939 -14.413 209 HA THR 49 HA THR 49 -8.005 8.028 -16.249 210 HB THR 49 HB THR 49 -9.777 7.749 -14.443 211 HG1 THR 49 1HG THR 49 -9.484 6.402 -16.468 212 1HG2 THR 49 1HG2 THR 49 -11.136 9.735 -16.199 213 2HG2 THR 49 2HG2 THR 49 -12.119 8.299 -15.832 214 3HG2 THR 49 3HG2 THR 49 -11.481 9.302 -14.508 215 H ILE 50 H ILE 50 -10.419 7.780 -17.907 216 HA ILE 50 HA ILE 50 -9.573 8.796 -20.228 217 HB ILE 50 HB ILE 50 -11.686 7.372 -19.465 218 2HG1 ILE 50 2HG1 ILE 50 -10.519 7.694 -21.752 219 1HG2 ILE 50 1HG2 ILE 50 -13.775 8.518 -19.960 220 2HG2 ILE 50 2HG2 ILE 50 -12.927 9.313 -18.611 221 3HG2 ILE 50 3HG2 ILE 50 -12.897 10.042 -20.234 222 1HD1 ILE 50 1HD1 ILE 50 -12.761 6.879 -22.903 223 2HD1 ILE 50 2HD1 ILE 50 -11.985 5.865 -21.663 224 3HD1 ILE 50 3HD1 ILE 50 -13.383 6.879 -21.235 225 H GLY 51 H GLY 51 -9.560 10.721 -21.362 226 1HA GLY 51 1HA GLY 51 -9.356 12.978 -21.477 227 2HA GLY 51 2HA GLY 51 -11.077 12.919 -21.146 228 H ASN 52 H ASN 52 -11.865 13.788 -19.246 229 HA ASN 52 HA ASN 52 -9.820 14.754 -17.424 230 2HB ASN 52 2HB ASN 52 -11.816 16.198 -16.573 231 1HD2 ASN 52 1HD2 ASN 52 -12.031 16.112 -20.059 232 2HD2 ASN 52 2HD2 ASN 52 -11.011 17.468 -20.406 233 H PHE 53 H PHE 53 -13.309 13.668 -17.332 234 HA PHE 53 HA PHE 53 -12.734 11.639 -15.423 235 2HB PHE 53 2HB PHE 53 -12.835 13.228 -13.688 236 HD1 PHE 53 1HD PHE 53 -15.850 14.567 -15.384 237 HD2 PHE 53 2HD PHE 53 -11.900 15.351 -14.046 238 HE1 PHE 53 1HE PHE 53 -16.166 17.006 -15.884 239 HE2 PHE 53 2HE PHE 53 -12.216 17.791 -14.546 240 HZ PHE 53 HZ PHE 53 -14.344 18.589 -15.459 241 H SER 54 H SER 54 -14.371 10.093 -15.396 242 HA SER 54 HA SER 54 -17.017 10.632 -15.899 243 2HB SER 54 2HB SER 54 -15.880 9.296 -18.352 244 HG SER 54 HG SER 54 -18.273 9.653 -17.740 245 H GLY 55 H GLY 55 -14.435 8.237 -16.824 246 1HA GLY 55 1HA GLY 55 -14.101 6.112 -16.148 247 2HA GLY 55 2HA GLY 55 -15.285 6.347 -14.878 248 HA PRO 56 HA PRO 56 -17.360 4.640 -18.818 249 2HB PRO 56 2HB PRO 56 -16.124 4.744 -20.758 250 2HG PRO 56 2HG PRO 56 -13.869 5.110 -20.444 251 2HD PRO 56 2HD PRO 56 -13.905 6.137 -18.386 252 H TYR 57 H TYR 57 -14.766 2.334 -18.126 253 HA TYR 57 HA TYR 57 -16.858 0.453 -17.327 254 2HB TYR 57 2HB TYR 57 -15.269 -0.414 -18.948 255 HD1 TYR 57 1HD TYR 57 -12.851 0.274 -16.178 256 HD2 TYR 57 2HD TYR 57 -13.813 0.828 -20.310 257 HE1 TYR 57 1HE TYR 57 -10.569 1.322 -16.577 258 HE2 TYR 57 2HE TYR 57 -11.529 1.874 -20.694 259 HH TYR 57 HH TYR 57 -9.158 1.559 -19.358 260 H THR 58 H THR 58 -15.809 -1.194 -15.551 261 HA THR 58 HA THR 58 -15.226 0.554 -13.276 262 HB THR 58 HB THR 58 -16.340 -2.274 -13.603 263 HG1 THR 58 1HG THR 58 -18.189 -1.120 -12.826 264 1HG2 THR 58 1HG2 THR 58 -16.740 -2.091 -11.092 265 2HG2 THR 58 2HG2 THR 58 -15.029 -2.315 -11.527 266 3HG2 THR 58 3HG2 THR 58 -15.628 -0.701 -11.073 267 H TYR 59 H TYR 59 -13.105 0.949 -13.015 268 HA TYR 59 HA TYR 59 -11.343 -1.406 -13.142 269 2HB TYR 59 2HB TYR 59 -10.882 0.176 -14.981 270 HD1 TYR 59 1HD TYR 59 -12.914 1.787 -14.890 271 HD2 TYR 59 2HD TYR 59 -9.209 2.540 -12.886 272 HE1 TYR 59 1HE TYR 59 -13.478 4.263 -14.763 273 HE2 TYR 59 2HE TYR 59 -9.785 5.013 -12.766 274 HH TYR 59 HH TYR 59 -11.581 6.528 -14.489 275 H CYS 60 H CYS 60 -9.215 -0.942 -11.846 276 HA CYS 60 HA CYS 60 -9.712 -0.896 -9.235 277 2HB CYS 60 2HB CYS 60 -7.419 -0.447 -8.838 278 H ASN 61 H ASN 61 -9.773 0.701 -7.526 279 HA ASN 61 HA ASN 61 -10.370 3.361 -8.552 280 2HB ASN 61 2HB ASN 61 -11.184 2.263 -5.822 281 1HD2 ASN 61 1HD2 ASN 61 -11.617 3.995 -4.691 282 2HD2 ASN 61 2HD2 ASN 61 -12.456 5.413 -5.223 283 H THR 62 H THR 62 -9.939 5.106 -6.660 284 HA THR 62 HA THR 62 -7.193 4.674 -5.802 285 HB THR 62 HB THR 62 -7.876 6.752 -7.025 286 HG1 THR 62 1HG THR 62 -7.030 8.151 -5.210 287 1HG2 THR 62 1HG2 THR 62 -9.174 8.461 -5.652 288 2HG2 THR 62 2HG2 THR 62 -10.171 7.102 -6.222 289 3HG2 THR 62 3HG2 THR 62 -9.612 7.148 -4.533 290 H THR 63 H THR 63 -6.527 4.253 -3.779 291 HA THR 63 HA THR 63 -7.940 5.068 -1.489 292 HB THR 63 HB THR 63 -9.204 2.933 -2.712 293 HG1 THR 63 1HG THR 63 -8.756 3.358 0.157 294 1HG2 THR 63 1HG2 THR 63 -7.199 1.442 -2.174 295 2HG2 THR 63 2HG2 THR 63 -7.468 1.809 -0.453 296 3HG2 THR 63 3HG2 THR 63 -8.709 0.934 -1.381 297 H LEU 64 H LEU 64 -6.901 4.315 0.519 298 HA LEU 64 HA LEU 64 -4.098 3.711 -0.060 299 2HB LEU 64 2HB LEU 64 -4.473 5.794 1.073 300 HG LEU 64 HG LEU 64 -6.607 4.801 2.367 301 1HD1 LEU 64 1HD1 LEU 64 -6.202 4.284 4.640 302 2HD1 LEU 64 2HD1 LEU 64 -5.089 3.270 3.691 303 3HD1 LEU 64 3HD1 LEU 64 -4.482 4.726 4.516 304 1HD2 LEU 64 1HD2 LEU 64 -6.677 6.803 3.599 305 2HD2 LEU 64 2HD2 LEU 64 -4.902 6.918 3.679 306 3HD2 LEU 64 3HD2 LEU 64 -5.743 7.188 2.134 307 H ASP 65 H ASP 65 -2.979 2.054 1.090 308 HA ASP 65 HA ASP 65 -4.828 0.047 2.088 309 2HB ASP 65 2HB ASP 65 -1.913 -0.512 1.540 310 H GLN 66 H GLN 66 -2.473 -1.440 3.315 311 HA GLN 66 HA GLN 66 -2.469 0.015 5.783 312 2HB GLN 66 2HB GLN 66 -1.145 -2.660 5.170 313 2HG GLN 66 2HG GLN 66 -2.436 -1.971 7.788 314 1HE2 GLN 66 1HE2 GLN 66 -1.707 -3.276 9.374 315 2HE2 GLN 66 2HE2 GLN 66 -0.577 -4.571 9.156 316 H ILE 67 H ILE 67 -0.601 0.025 2.975 317 HA ILE 67 HA ILE 67 1.867 0.591 4.451 318 HB ILE 67 HB ILE 67 1.611 0.191 1.481 319 2HG1 ILE 67 2HG1 ILE 67 0.612 -1.780 2.414 320 1HG2 ILE 67 1HG2 ILE 67 3.934 -0.242 3.379 321 2HG2 ILE 67 2HG2 ILE 67 3.958 -0.359 1.604 322 3HG2 ILE 67 3HG2 ILE 67 3.680 1.214 2.388 323 1HD1 ILE 67 1HD1 ILE 67 3.457 -2.710 2.108 324 2HD1 ILE 67 2HD1 ILE 67 1.966 -3.366 1.389 325 3HD1 ILE 67 3HD1 ILE 67 2.695 -1.883 0.728 326 H GLY 68 H GLY 68 -0.312 2.444 4.589 327 1HA GLY 68 1HA GLY 68 -0.954 4.547 3.947 328 2HA GLY 68 2HA GLY 68 0.726 4.849 4.345 329 H THR 69 H THR 69 -0.747 3.058 1.551 330 HA THR 69 HA THR 69 0.475 5.070 -0.219 331 HB THR 69 HB THR 69 1.682 2.758 0.043 332 HG1 THR 69 1HG THR 69 0.556 3.719 -2.494 333 1HG2 THR 69 1HG2 THR 69 -0.538 1.963 -1.901 334 2HG2 THR 69 2HG2 THR 69 0.788 0.943 -1.292 335 3HG2 THR 69 3HG2 THR 69 -0.530 1.436 -0.201 336 H CYS 70 H CYS 70 -1.047 6.177 -1.262 337 HA CYS 70 HA CYS 70 -3.575 4.799 -1.738 338 2HB CYS 70 2HB CYS 70 -2.805 7.612 -1.218 339 H TRP 71 H TRP 71 -3.445 3.745 -3.711 340 HA TRP 71 HA TRP 71 -1.837 4.824 -5.828 341 2HB TRP 71 2HB TRP 71 -2.714 2.861 -7.084 342 HD1 TRP 71 HD TRP 71 -2.192 1.803 -3.370 343 HE1 TRP 71 1HE TRP 71 0.118 0.563 -3.071 344 HE3 TRP 71 3HE TRP 71 -0.589 2.527 -8.141 345 HZ2 TRP 71 2HZ TRP 71 2.307 0.036 -4.824 346 HZ3 TRP 71 3HZ TRP 71 1.646 1.617 -8.766 347 HH2 TRP 71 HH TRP 71 3.079 0.408 -7.197 348 HA PRO 72 HA PRO 72 -5.143 7.220 -7.386 349 2HB PRO 72 2HB PRO 72 -3.717 8.912 -8.023 350 2HG PRO 72 2HG PRO 72 -1.498 8.299 -8.167 351 2HD PRO 72 2HD PRO 72 -1.479 6.498 -6.737 352 H GLN 73 H GLN 73 -6.319 5.138 -7.610 353 HA GLN 73 HA GLN 73 -7.440 3.720 -8.818 354 2HB GLN 73 2HB GLN 73 -8.043 4.630 -11.247 355 2HG GLN 73 2HG GLN 73 -9.040 6.590 -9.280 356 1HE2 GLN 73 1HE2 GLN 73 -10.184 7.224 -11.087 357 2HE2 GLN 73 2HE2 GLN 73 -11.494 6.308 -11.756 358 H SER 74 H SER 74 -7.476 2.332 -10.953 359 HA SER 74 HA SER 74 -5.135 2.295 -12.485 360 2HB SER 74 2HB SER 74 -4.006 0.356 -11.663 361 HG SER 74 HG SER 74 -3.438 2.020 -10.265 362 H ALA 75 H ALA 75 -5.081 -0.028 -13.723 363 HA ALA 75 HA ALA 75 -7.849 -0.454 -14.531 364 1HB ALA 75 1HB ALA 75 -5.813 -1.879 -16.053 365 2HB ALA 75 2HB ALA 75 -6.967 -0.637 -16.593 366 3HB ALA 75 3HB ALA 75 -5.403 -0.155 -15.892 367 HA PRO 76 HA PRO 76 -7.967 -4.331 -12.610 368 2HB PRO 76 2HB PRO 76 -10.267 -4.381 -12.700 369 2HG PRO 76 2HG PRO 76 -11.199 -3.016 -14.308 370 2HD PRO 76 2HD PRO 76 -9.515 -1.469 -14.555 371 H GLY 77 H GLY 77 -7.424 -6.569 -12.702 372 1HA GLY 77 1HA GLY 77 -6.140 -8.228 -13.508 373 2HA GLY 77 2HA GLY 77 -6.962 -7.959 -15.033 374 H ALA 78 H ALA 78 -5.199 -5.228 -13.705 375 HA ALA 78 HA ALA 78 -3.293 -5.476 -15.888 376 1HB ALA 78 1HB ALA 78 -4.634 -3.376 -15.442 377 2HB ALA 78 2HB ALA 78 -3.716 -3.189 -13.928 378 3HB ALA 78 3HB ALA 78 -2.871 -3.135 -15.493 379 H LEU 79 H LEU 79 -1.293 -3.782 -14.476 380 HA LEU 79 HA LEU 79 -0.465 -5.324 -12.203 381 2HB LEU 79 2HB LEU 79 1.805 -5.487 -13.821 382 HG LEU 79 HG LEU 79 0.226 -7.272 -12.289 383 1HD1 LEU 79 1HD1 LEU 79 0.993 -8.782 -14.739 384 2HD1 LEU 79 2HD1 LEU 79 -0.294 -9.091 -13.549 385 3HD1 LEU 79 3HD1 LEU 79 -0.513 -7.834 -14.790 386 1HD2 LEU 79 1HD2 LEU 79 2.358 -8.751 -12.796 387 2HD2 LEU 79 2HD2 LEU 79 2.963 -7.225 -13.486 388 3HD2 LEU 79 3HD2 LEU 79 2.454 -7.292 -11.782 389 H VAL 80 H VAL 80 -0.401 -3.438 -11.000 390 HA VAL 80 HA VAL 80 1.039 -1.174 -12.111 391 HB VAL 80 HB VAL 80 -0.182 -1.320 -9.373 392 1HG1 VAL 80 1HG1 VAL 80 -0.271 0.982 -9.481 393 2HG1 VAL 80 2HG1 VAL 80 1.185 0.663 -10.454 394 3HG1 VAL 80 3HG1 VAL 80 -0.365 1.008 -11.259 395 1HG2 VAL 80 1HG2 VAL 80 -1.599 -1.492 -11.978 396 2HG2 VAL 80 2HG2 VAL 80 -2.106 -2.017 -10.355 397 3HG2 VAL 80 3HG2 VAL 80 -2.234 -0.302 -10.816 398 H GLU 81 H GLU 81 2.969 -2.859 -12.112 399 HA GLU 81 HA GLU 81 4.151 -2.979 -9.475 400 2HB GLU 81 2HB GLU 81 4.390 -5.070 -10.490 401 2HG GLU 81 2HG GLU 81 4.556 -3.459 -13.022 402 H ARG 82 H ARG 82 6.127 -1.956 -8.930 403 HA ARG 82 HA ARG 82 7.229 -0.266 -11.016 404 2HB ARG 82 2HB ARG 82 7.471 1.596 -9.363 405 2HG ARG 82 2HG ARG 82 4.587 0.606 -9.348 406 2HD ARG 82 2HD ARG 82 5.574 3.441 -9.794 407 HE ARG 82 HE ARG 82 3.097 2.853 -8.342 408 1HH1 ARG 82 2HH2 ARG 82 4.540 3.292 -11.521 409 2HH1 ARG 82 1HH2 ARG 82 3.041 3.705 -12.285 410 1HH2 ARG 82 2HH1 ARG 82 1.119 3.397 -9.350 411 2HH2 ARG 82 1HH1 ARG 82 1.082 3.765 -11.042 412 HA PRO 83 HA PRO 83 10.346 -2.621 -8.595 413 2HB PRO 83 2HB PRO 83 10.103 -4.733 -9.479 414 2HG PRO 83 2HG PRO 83 8.712 -4.853 -11.316 415 2HD PRO 83 2HD PRO 83 7.413 -2.989 -10.967 416 H CYS 84 H CYS 84 12.759 -2.705 -8.778 417 HA CYS 84 HA CYS 84 13.570 -0.557 -10.598 418 2HB CYS 84 2HB CYS 84 13.666 0.590 -8.619 419 HA PRO 85 HA PRO 85 16.123 -4.098 -11.522 420 2HB PRO 85 2HB PRO 85 15.230 -4.433 -13.618 421 2HG PRO 85 2HG PRO 85 13.913 -2.705 -14.392 422 2HD PRO 85 2HD PRO 85 13.275 -1.755 -12.398 423 H GLU 86 H GLU 86 18.329 -4.151 -13.035 424 HA GLU 86 HA GLU 86 20.218 -3.163 -11.458 425 2HB GLU 86 2HB GLU 86 20.771 -4.621 -13.303 426 2HG GLU 86 2HG GLU 86 20.123 -2.276 -15.150 427 H TYR 87 H TYR 87 21.689 -1.280 -11.521 428 HA TYR 87 HA TYR 87 21.903 0.933 -11.304 429 2HB TYR 87 2HB TYR 87 21.030 0.384 -14.190 430 HD1 TYR 87 1HD TYR 87 19.862 2.133 -15.206 431 HD2 TYR 87 2HD TYR 87 23.142 3.051 -12.616 432 HE1 TYR 87 1HE TYR 87 19.679 4.590 -15.833 433 HE2 TYR 87 2HE TYR 87 22.949 5.505 -13.253 434 HH TYR 87 HH TYR 87 21.338 7.022 -14.096 435 H PHE 88 H PHE 88 20.136 1.212 -9.755 436 HA PHE 88 HA PHE 88 17.861 2.597 -10.994 437 2HB PHE 88 2HB PHE 88 16.926 0.630 -10.019 438 HD1 PHE 88 1HD PHE 88 19.507 1.843 -7.610 439 HD2 PHE 88 2HD PHE 88 17.299 -1.460 -9.103 440 HE1 PHE 88 1HE PHE 88 20.854 0.290 -6.169 441 HE2 PHE 88 2HE PHE 88 18.646 -3.012 -7.662 442 HZ PHE 88 HZ PHE 88 20.408 -2.119 -6.212 443 H ASN 89 H ASN 89 20.683 2.978 -9.239 444 HA ASN 89 HA ASN 89 20.502 5.524 -8.698 445 2HB ASN 89 2HB ASN 89 18.545 5.473 -7.325 446 1HD2 ASN 89 1HD2 ASN 89 17.053 4.058 -6.883 447 2HD2 ASN 89 2HD2 ASN 89 17.229 2.575 -6.005 448 H GLY 90 H GLY 90 21.346 2.272 -7.671 449 1HA GLY 90 1HA GLY 90 23.987 3.209 -6.816 450 2HA GLY 90 2HA GLY 90 23.045 2.264 -5.680 451 H ILE 91 H ILE 91 23.145 0.048 -5.789 452 HA ILE 91 HA ILE 91 24.808 -1.084 -7.834 453 HB ILE 91 HB ILE 91 24.530 -1.619 -5.251 454 2HG1 ILE 91 2HG1 ILE 91 25.085 -3.835 -7.237 455 1HG2 ILE 91 1HG2 ILE 91 22.188 -2.330 -5.436 456 2HG2 ILE 91 2HG2 ILE 91 22.672 -3.627 -6.556 457 3HG2 ILE 91 3HG2 ILE 91 23.240 -3.650 -4.870 458 1HD1 ILE 91 1HD1 ILE 91 26.488 -1.249 -6.705 459 2HD1 ILE 91 2HD1 ILE 91 27.511 -2.706 -6.724 460 3HD1 ILE 91 3HD1 ILE 91 26.528 -2.290 -8.148 461 H LYS 92 H LYS 92 23.857 -3.455 -8.578 462 HA LYS 92 HA LYS 92 21.677 -2.716 -10.286 463 2HB LYS 92 2HB LYS 92 23.610 -4.007 -11.103 464 2HG LYS 92 2HG LYS 92 22.484 -6.190 -9.285 465 2HD LYS 92 2HD LYS 92 23.281 -6.973 -11.569 466 2HE LYS 92 2HE LYS 92 25.513 -5.223 -10.851 467 1HZ LYS 92 1HZ LYS 92 27.091 -6.959 -11.818 468 2HZ LYS 92 2HZ LYS 92 26.753 -7.026 -10.221 469 3HZ LYS 92 3HZ LYS 92 26.028 -8.063 -11.253 470 H TYR 93 H TYR 93 20.133 -4.967 -10.567 471 HA TYR 93 HA TYR 93 18.630 -4.877 -8.091 472 2HB TYR 93 2HB TYR 93 17.806 -4.637 -10.577 473 HD1 TYR 93 1HD TYR 93 19.409 -5.575 -12.257 474 HD2 TYR 93 2HD TYR 93 16.780 -8.078 -9.992 475 HE1 TYR 93 1HE TYR 93 19.779 -7.471 -13.910 476 HE2 TYR 93 2HE TYR 93 17.159 -9.966 -11.653 477 HH TYR 93 HH TYR 93 19.233 -10.518 -13.306 478 H ASN 94 H ASN 94 19.010 -6.341 -6.508 479 HA ASN 94 HA ASN 94 19.783 -9.006 -7.406 480 2HB ASN 94 2HB ASN 94 21.465 -9.066 -5.830 481 1HD2 ASN 94 1HD2 ASN 94 21.467 -7.242 -7.835 482 2HD2 ASN 94 2HD2 ASN 94 22.227 -5.765 -7.346 483 H THR 95 H THR 95 18.088 -6.939 -4.971 484 HA THR 95 HA THR 95 15.881 -8.663 -4.782 485 HB THR 95 HB THR 95 17.224 -10.206 -3.526 486 HG1 THR 95 1HG THR 95 16.180 -8.265 -1.596 487 1HG2 THR 95 1HG2 THR 95 18.819 -9.617 -1.855 488 2HG2 THR 95 2HG2 THR 95 19.099 -8.393 -3.116 489 3HG2 THR 95 3HG2 THR 95 18.148 -7.979 -1.670 490 H THR 96 H THR 96 15.640 -6.202 -5.451 491 HA THR 96 HA THR 96 15.437 -4.520 -3.082 492 HB THR 96 HB THR 96 16.449 -3.671 -5.220 493 HG1 THR 96 1HG THR 96 14.919 -2.473 -3.608 494 1HG2 THR 96 1HG2 THR 96 13.643 -3.619 -6.374 495 2HG2 THR 96 2HG2 THR 96 15.202 -3.441 -7.217 496 3HG2 THR 96 3HG2 THR 96 14.671 -5.045 -6.655 497 H ARG 97 H ARG 97 13.706 -7.001 -3.640 498 HA ARG 97 HA ARG 97 11.623 -7.597 -3.531 499 2HB ARG 97 2HB ARG 97 10.189 -5.749 -2.095 500 2HG ARG 97 2HG ARG 97 11.530 -8.142 -1.553 501 2HD ARG 97 2HD ARG 97 12.633 -5.871 0.131 502 HE ARG 97 HE ARG 97 11.683 -8.398 1.185 503 1HH1 ARG 97 2HH2 ARG 97 14.333 -6.094 1.417 504 2HH1 ARG 97 1HH2 ARG 97 14.747 -6.540 3.038 505 1HH2 ARG 97 2HH1 ARG 97 12.230 -8.987 3.325 506 2HH2 ARG 97 1HH1 ARG 97 13.543 -8.197 4.131 507 H ASN 98 H ASN 98 11.748 -6.889 -6.004 508 HA ASN 98 HA ASN 98 10.878 -4.728 -7.137 509 2HB ASN 98 2HB ASN 98 11.055 -6.383 -8.745 510 1HD2 ASN 98 1HD2 ASN 98 12.056 -8.231 -8.666 511 2HD2 ASN 98 2HD2 ASN 98 11.590 -9.651 -7.789 512 H ALA 99 H ALA 99 8.826 -3.654 -7.614 513 HA ALA 99 HA ALA 99 6.778 -4.215 -5.626 514 1HB ALA 99 1HB ALA 99 5.883 -1.991 -6.629 515 2HB ALA 99 2HB ALA 99 7.381 -1.935 -5.671 516 3HB ALA 99 3HB ALA 99 7.461 -1.895 -7.448 517 H TYR 100 H TYR 100 4.560 -4.574 -6.188 518 HA TYR 100 HA TYR 100 3.555 -4.602 -8.760 519 2HB TYR 100 2HB TYR 100 5.186 -6.405 -9.208 520 HD1 TYR 100 1HD TYR 100 3.089 -8.639 -7.209 521 HD2 TYR 100 2HD TYR 100 6.871 -6.647 -7.411 522 HE1 TYR 100 1HE TYR 100 4.001 -10.170 -5.395 523 HE2 TYR 100 2HE TYR 100 7.769 -8.185 -5.596 524 HH TYR 100 HH TYR 100 7.400 -10.009 -4.442 525 H ARG 101 H ARG 101 1.359 -4.677 -8.560 526 HA ARG 101 HA ARG 101 0.310 -6.238 -6.364 527 2HB ARG 101 2HB ARG 101 -1.256 -3.806 -6.609 528 2HG ARG 101 2HG ARG 101 0.543 -4.217 -4.256 529 2HD ARG 101 2HD ARG 101 -2.386 -3.643 -4.797 530 HE ARG 101 HE ARG 101 -1.779 -5.364 -2.768 531 1HH1 ARG 101 2HH2 ARG 101 -2.625 -1.949 -2.739 532 2HH1 ARG 101 1HH2 ARG 101 -3.355 -2.011 -1.170 533 1HH2 ARG 101 2HH1 ARG 101 -2.743 -5.448 -0.698 534 2HH2 ARG 101 1HH1 ARG 101 -3.424 -4.015 -0.001 535 H GLU 102 H GLU 102 -0.020 -7.515 -8.523 536 HA GLU 102 HA GLU 102 -1.452 -6.820 -10.612 537 2HB GLU 102 2HB GLU 102 -0.800 -9.057 -10.606 538 2HG GLU 102 2HG GLU 102 -2.192 -10.306 -8.436 539 H CYS 103 H CYS 103 -3.418 -5.909 -11.049 540 HA CYS 103 HA CYS 103 -5.251 -5.606 -8.849 541 2HB CYS 103 2HB CYS 103 -6.099 -4.598 -11.466 542 H LEU 104 H LEU 104 -6.940 -7.012 -8.510 543 HA LEU 104 HA LEU 104 -7.338 -9.247 -10.097 544 2HB LEU 104 2HB LEU 104 -9.683 -9.027 -8.778 545 HG LEU 104 HG LEU 104 -7.004 -9.816 -7.620 546 1HD1 LEU 104 1HD1 LEU 104 -8.983 -11.047 -6.090 547 2HD1 LEU 104 2HD1 LEU 104 -7.895 -9.732 -5.586 548 3HD1 LEU 104 3HD1 LEU 104 -9.510 -9.354 -6.231 549 1HD2 LEU 104 1HD2 LEU 104 -7.317 -11.760 -8.640 550 2HD2 LEU 104 2HD2 LEU 104 -8.927 -11.939 -7.901 551 3HD2 LEU 104 3HD2 LEU 104 -8.748 -11.070 -9.444 552 H GLU 105 H GLU 105 -9.447 -9.839 -11.235 553 HA GLU 105 HA GLU 105 -9.865 -7.868 -13.224 554 2HB GLU 105 2HB GLU 105 -11.777 -10.023 -13.413 555 2HG GLU 105 2HG GLU 105 -9.118 -9.546 -14.839 556 H ASN 106 H ASN 106 -10.992 -8.028 -10.132 557 HA ASN 106 HA ASN 106 -13.721 -7.358 -10.803 558 2HB ASN 106 2HB ASN 106 -12.837 -7.157 -7.960 559 1HD2 ASN 106 1HD2 ASN 106 -14.480 -9.525 -10.050 560 2HD2 ASN 106 2HD2 ASN 106 -16.064 -9.363 -9.366 561 H GLY 107 H GLY 107 -10.730 -5.850 -10.643 562 1HA GLY 107 1HA GLY 107 -10.250 -3.626 -10.783 563 2HA GLY 107 2HA GLY 107 -11.897 -3.225 -10.340 564 H THR 108 H THR 108 -9.703 -5.433 -8.527 565 HA THR 108 HA THR 108 -9.660 -3.431 -6.364 566 HB THR 108 HB THR 108 -9.732 -5.489 -4.846 567 HG1 THR 108 1HG THR 108 -10.598 -6.699 -7.366 568 1HG2 THR 108 1HG2 THR 108 -11.907 -4.335 -6.363 569 2HG2 THR 108 2HG2 THR 108 -12.163 -6.094 -6.280 570 3HG2 THR 108 3HG2 THR 108 -11.988 -5.148 -4.782 571 H TRP 109 H TRP 109 -7.832 -3.897 -4.747 572 HA TRP 109 HA TRP 109 -5.428 -4.156 -6.350 573 2HB TRP 109 2HB TRP 109 -4.396 -3.469 -4.081 574 HD1 TRP 109 HD TRP 109 -6.823 -0.684 -4.155 575 HE1 TRP 109 1HE TRP 109 -6.094 1.314 -5.716 576 HE3 TRP 109 3HE TRP 109 -3.153 -3.231 -6.583 577 HZ2 TRP 109 2HZ TRP 109 -4.108 1.599 -7.746 578 HZ3 TRP 109 3HZ TRP 109 -1.866 -2.020 -8.341 579 HH2 TRP 109 HH TRP 109 -2.294 0.312 -8.935 580 H ALA 110 H ALA 110 -3.591 -5.173 -4.540 581 HA ALA 110 HA ALA 110 -4.555 -7.922 -4.277 582 1HB ALA 110 1HB ALA 110 -1.679 -7.092 -3.971 583 2HB ALA 110 2HB ALA 110 -2.364 -8.585 -4.656 584 3HB ALA 110 3HB ALA 110 -2.411 -7.073 -5.593 585 H SER 111 H SER 111 -2.052 -8.225 -2.420 586 HA SER 111 HA SER 111 -3.395 -7.171 -0.054 587 2HB SER 111 2HB SER 111 -1.947 -9.333 0.883 588 HG SER 111 HG SER 111 -4.359 -10.276 0.080 589 H ARG 112 H ARG 112 -0.275 -8.231 -1.552 590 HA ARG 112 HA ARG 112 1.062 -6.498 0.362 591 2HB ARG 112 2HB ARG 112 3.039 -8.003 -0.977 592 2HG ARG 112 2HG ARG 112 2.457 -9.479 1.315 593 2HD ARG 112 2HD ARG 112 4.044 -6.920 0.869 594 HE ARG 112 HE ARG 112 4.567 -8.438 3.324 595 1HH1 ARG 112 2HH2 ARG 112 2.820 -5.724 1.922 596 2HH1 ARG 112 1HH2 ARG 112 2.641 -4.894 3.431 597 1HH2 ARG 112 2HH1 ARG 112 4.330 -7.343 5.316 598 2HH2 ARG 112 1HH1 ARG 112 3.506 -5.821 5.375 599 H VAL 113 H VAL 113 1.722 -4.541 -0.469 600 HA VAL 113 HA VAL 113 2.276 -4.452 -3.355 601 HB VAL 113 HB VAL 113 0.260 -3.225 -2.603 602 1HG1 VAL 113 1HG1 VAL 113 2.170 -1.386 -1.131 603 2HG1 VAL 113 2HG1 VAL 113 0.394 -1.292 -1.196 604 3HG1 VAL 113 3HG1 VAL 113 1.182 -2.634 -0.332 605 1HG2 VAL 113 1HG2 VAL 113 0.773 -1.135 -3.768 606 2HG2 VAL 113 2HG2 VAL 113 2.515 -1.447 -3.590 607 3HG2 VAL 113 3HG2 VAL 113 1.518 -2.520 -4.600 608 H ASN 114 H ASN 114 3.923 -2.721 -3.957 609 HA ASN 114 HA ASN 114 5.700 -1.981 -1.857 610 2HB ASN 114 2HB ASN 114 7.585 -3.096 -3.547 611 1HD2 ASN 114 1HD2 ASN 114 7.913 -5.657 -2.712 612 2HD2 ASN 114 2HD2 ASN 114 8.016 -5.750 -0.987 613 H TYR 115 H TYR 115 7.746 -0.832 -3.032 614 HA TYR 115 HA TYR 115 7.309 0.044 -5.706 615 2HB TYR 115 2HB TYR 115 6.181 2.020 -5.204 616 HD1 TYR 115 1HD TYR 115 4.096 0.842 -4.663 617 HD2 TYR 115 2HD TYR 115 6.928 1.840 -1.614 618 HE1 TYR 115 1HE TYR 115 2.341 0.402 -2.878 619 HE2 TYR 115 2HE TYR 115 5.162 1.396 0.160 620 HH TYR 115 HH TYR 115 2.888 1.255 0.437 621 H SER 116 H SER 116 8.650 1.597 -2.707 622 HA SER 116 HA SER 116 11.027 2.244 -4.035 623 2HB SER 116 2HB SER 116 10.456 3.663 -2.238 624 HG SER 116 HG SER 116 9.462 2.990 -0.458 625 H HIS 117 H HIS 117 11.408 0.734 -0.857 626 HA HIS 117 HA HIS 117 12.780 -0.853 -0.183 627 2HB HIS 117 2HB HIS 117 12.364 -3.056 -1.741 628 HD1 HIS 117 1HD HIS 117 12.463 -2.016 1.330 629 HD2 HIS 117 2HD HIS 117 9.182 -3.699 -0.668 630 HE1 HIS 117 1HE HIS 117 10.939 -2.975 3.139 631 H CYS 118 H CYS 118 13.722 1.019 -2.392 632 HA CYS 118 HA CYS 118 15.834 -0.726 -3.435 633 2HB CYS 118 2HB CYS 118 15.552 1.826 -4.806 634 H GLU 119 H GLU 119 14.890 2.412 -1.951 635 HA GLU 119 HA GLU 119 17.225 3.725 -1.921 636 2HB GLU 119 2HB GLU 119 16.085 3.998 0.709 637 2HG GLU 119 2HG GLU 119 16.921 5.659 -1.293 638 HA PRO 120 HA PRO 120 18.603 1.154 1.829 639 2HB PRO 120 2HB PRO 120 16.956 0.415 3.257 640 2HG PRO 120 2HG PRO 120 14.848 0.317 2.327 641 2HD PRO 120 2HD PRO 120 15.074 1.859 0.637 642 H ILE 121 H ILE 121 19.508 1.066 -0.671 643 HA ILE 121 HA ILE 121 20.515 -1.676 -0.738 644 HB ILE 121 HB ILE 121 18.551 -1.048 -2.399 645 2HG1 ILE 121 2HG1 ILE 121 20.374 -3.079 -2.172 646 1HG2 ILE 121 1HG2 ILE 121 19.297 -0.255 -4.534 647 2HG2 ILE 121 2HG2 ILE 121 19.787 0.928 -3.297 648 3HG2 ILE 121 3HG2 ILE 121 20.988 -0.194 -3.981 649 1HD1 ILE 121 1HD1 ILE 121 18.715 -4.288 -3.191 650 2HD1 ILE 121 2HD1 ILE 121 17.806 -2.760 -3.098 651 3HD1 ILE 121 3HD1 ILE 121 18.656 -3.201 -4.599 652 H LEU 122 H LEU 122 22.307 -1.537 -2.771 653 HA LEU 122 HA LEU 122 24.374 -0.878 -3.191 654 2HB LEU 122 2HB LEU 122 22.857 1.010 -4.124 655 HG LEU 122 HG LEU 122 23.587 2.230 -1.637 656 1HD1 LEU 122 1HD1 LEU 122 25.567 2.807 -3.423 657 2HD1 LEU 122 2HD1 LEU 122 24.431 4.148 -3.704 658 3HD1 LEU 122 3HD1 LEU 122 25.072 3.852 -2.071 659 1HD2 LEU 122 1HD2 LEU 122 22.373 3.935 -3.702 660 2HD2 LEU 122 2HD2 LEU 122 21.553 2.373 -3.462 661 3HD2 LEU 122 3HD2 LEU 122 21.782 3.478 -2.086 662 H ASP 123 H ASP 123 26.235 0.805 -2.311 663 HA ASP 123 HA ASP 123 26.085 1.544 0.341 664 2HB ASP 123 2HB ASP 123 27.821 -0.919 0.074 665 H ASP 124 H ASP 124 27.058 2.529 -2.199 666 HA ASP 124 HA ASP 124 29.529 3.472 -1.469 667 2HB ASP 124 2HB ASP 124 29.791 1.518 -3.782 668 H LYS 125 H LYS 125 30.532 4.748 -3.418 669 HA LYS 125 HA LYS 125 28.345 5.813 -4.969 670 2HB LYS 125 2HB LYS 125 31.245 6.642 -4.669 671 2HG LYS 125 2HG LYS 125 29.747 7.233 -6.856 672 2HD LYS 125 2HD LYS 125 29.230 9.777 -5.471 673 2HE LYS 125 2HE LYS 125 26.848 9.035 -6.505 674 1HZ LYS 125 1HZ LYS 125 27.448 10.442 -8.090 675 2HZ LYS 125 2HZ LYS 125 28.881 10.572 -7.318 676 3HZ LYS 125 3HZ LYS 125 28.724 9.551 -8.583 677 H GLN 126 H GLN 126 27.945 5.451 -7.109 678 HA GLN 126 HA GLN 126 29.373 3.322 -8.307 679 2HB GLN 126 2HB GLN 126 27.491 5.003 -9.926 680 2HG GLN 126 2HG GLN 126 26.699 2.276 -9.692 681 1HE2 GLN 126 1HE2 GLN 126 25.486 2.784 -11.418 682 2HE2 GLN 126 2HE2 GLN 126 26.096 3.155 -12.997 683 H ARG 127 H ARG 127 31.144 3.436 -9.628 684 HA ARG 127 HA ARG 127 31.483 5.502 -11.452 685 2HB ARG 127 2HB ARG 127 32.221 7.001 -9.776 686 2HG ARG 127 2HG ARG 127 32.961 4.501 -8.379 687 2HD ARG 127 2HD ARG 127 34.853 6.872 -8.445 688 HE ARG 127 HE ARG 127 35.289 5.184 -6.163 689 1HH1 ARG 127 2HH2 ARG 127 33.214 7.808 -7.254 690 2HH1 ARG 127 1HH2 ARG 127 32.918 8.408 -5.656 691 1HH2 ARG 127 2HH1 ARG 127 34.900 5.977 -4.055 692 2HH2 ARG 127 1HH1 ARG 127 33.883 7.360 -3.825 693 H LYS 128 H LYS 128 33.203 4.980 -12.944 694 HA LYS 128 HA LYS 128 34.603 2.480 -12.290 695 2HB LYS 128 2HB LYS 128 34.165 3.058 -15.143 696 2HG LYS 128 2HG LYS 128 33.369 0.624 -13.502 697 2HD LYS 128 2HD LYS 128 32.840 0.953 -16.046 698 2HE LYS 128 2HE LYS 128 35.383 -0.198 -16.835 699 1HZ LYS 128 1HZ LYS 128 35.253 1.563 -18.411 700 2HZ LYS 128 2HZ LYS 128 33.755 0.938 -18.229 701 3HZ LYS 128 3HZ LYS 128 34.133 2.367 -17.535 702 H TYR 129 H TYR 129 36.764 2.247 -13.222 703 HA TYR 129 HA TYR 129 38.284 4.578 -12.911 704 2HB TYR 129 2HB TYR 129 40.040 2.962 -13.958 705 HD1 TYR 129 1HD TYR 129 39.878 3.906 -11.327 706 HD2 TYR 129 2HD TYR 129 38.661 0.068 -12.774 707 HE1 TYR 129 1HE TYR 129 40.178 2.925 -9.001 708 HE2 TYR 129 2HE TYR 129 38.965 -0.899 -10.443 709 HH TYR 129 HH TYR 129 38.853 0.227 -8.000 710 H ASP 130 H ASP 130 39.895 5.382 -14.618 711 HA ASP 130 HA ASP 130 38.883 5.171 -17.297 712 2HB ASP 130 2HB ASP 130 39.307 7.924 -16.067 713 H LEU 131 H LEU 131 40.473 6.462 -18.825 714 HA LEU 131 HA LEU 131 42.513 6.964 -19.512 715 2HB LEU 131 2HB LEU 131 43.848 7.180 -16.915 716 HG LEU 131 HG LEU 131 44.409 8.311 -19.233 717 1HD1 LEU 131 1HD1 LEU 131 43.573 10.653 -19.316 718 2HD1 LEU 131 2HD1 LEU 131 42.315 9.427 -19.607 719 3HD1 LEU 131 3HD1 LEU 131 42.414 10.244 -18.028 720 1HD2 LEU 131 1HD2 LEU 131 45.449 10.237 -17.944 721 2HD2 LEU 131 2HD2 LEU 131 44.662 9.566 -16.496 722 3HD2 LEU 131 3HD2 LEU 131 45.856 8.594 -17.390 723 H HIS 132 H HIS 132 43.855 5.507 -20.436 724 HA HIS 132 HA HIS 132 45.238 3.608 -18.845 725 2HB HIS 132 2HB HIS 132 43.694 2.093 -20.815 726 HD1 HIS 132 1HD HIS 132 42.297 0.187 -18.965 727 HD2 HIS 132 2HD HIS 132 46.040 1.848 -18.054 728 HE1 HIS 132 1HE HIS 132 43.384 -1.383 -17.272 729 HE2 HIS 132 2HE HIS 132 45.702 -0.339 -16.791 730 H TYR 133 H TYR 133 47.109 4.459 -19.788 731 HA TYR 133 HA TYR 133 47.352 4.992 -22.530 732 2HB TYR 133 2HB TYR 133 49.663 4.080 -20.781 733 HD1 TYR 133 1HD TYR 133 50.792 4.232 -23.051 734 HD2 TYR 133 2HD TYR 133 49.047 7.624 -21.112 735 HE1 TYR 133 1HE TYR 133 52.140 5.787 -24.543 736 HE2 TYR 133 2HE TYR 133 50.402 9.168 -22.611 737 HH TYR 133 HH TYR 133 52.436 7.846 -25.191 Start of MODEL 7 1 1H GLY 15 H GLY 15 -9.178 59.131 19.636 2 1HA GLY 15 1HA GLY 15 -10.621 57.407 18.733 3 2HA GLY 15 2HA GLY 15 -10.532 58.763 17.626 4 H SER 16 H SER 16 -10.401 55.435 17.784 5 HA SER 16 HA SER 16 -8.868 55.368 15.311 6 2HB SER 16 2HB SER 16 -8.054 53.063 16.029 7 HG SER 16 HG SER 16 -6.843 55.193 16.364 8 H GLY 17 H GLY 17 -9.316 52.999 14.249 9 1HA GLY 17 1HA GLY 17 -11.261 51.318 14.497 10 2HA GLY 17 2HA GLY 17 -12.247 52.741 14.223 11 H MET 18 H MET 18 -11.224 50.111 12.647 12 HA MET 18 HA MET 18 -11.700 51.151 10.142 13 2HB MET 18 2HB MET 18 -8.938 50.315 9.799 14 2HG MET 18 2HG MET 18 -8.917 53.017 9.326 15 1HE MET 18 1HE MET 18 -7.142 51.476 8.004 16 2HE MET 18 2HE MET 18 -7.456 51.542 6.254 17 3HE MET 18 3HE MET 18 -7.612 53.014 7.243 18 H LYS 19 H LYS 19 -10.839 49.437 8.355 19 HA LYS 19 HA LYS 19 -10.867 47.357 7.619 20 2HB LYS 19 2HB LYS 19 -10.009 45.524 9.091 21 2HG LYS 19 2HG LYS 19 -8.552 48.146 8.693 22 2HD LYS 19 2HD LYS 19 -6.479 46.586 9.358 23 2HE LYS 19 2HE LYS 19 -7.882 47.612 11.791 24 1HZ LYS 19 1HZ LYS 19 -5.626 47.338 11.992 25 2HZ LYS 19 2HZ LYS 19 -5.284 47.890 10.494 26 3HZ LYS 19 3HZ LYS 19 -5.728 48.935 11.667 27 H GLU 20 H GLU 20 -11.997 46.814 11.027 28 HA GLU 20 HA GLU 20 -13.883 46.101 11.829 29 2HB GLU 20 2HB GLU 20 -16.002 46.507 10.213 30 2HG GLU 20 2HG GLU 20 -15.042 49.146 10.933 31 H THR 21 H THR 21 -15.905 44.530 11.291 32 HA THR 21 HA THR 21 -15.529 42.738 9.118 33 HB THR 21 HB THR 21 -13.584 42.143 10.663 34 HG1 THR 21 1HG THR 21 -15.823 40.252 10.486 35 1HG2 THR 21 1HG2 THR 21 -14.349 42.319 12.904 36 2HG2 THR 21 2HG2 THR 21 -15.941 41.626 12.509 37 3HG2 THR 21 3HG2 THR 21 -14.508 40.574 12.592 38 H ALA 22 H ALA 22 -17.196 41.117 9.003 39 HA ALA 22 HA ALA 22 -19.330 41.533 10.973 40 1HB ALA 22 1HB ALA 22 -20.353 42.730 9.328 41 2HB ALA 22 2HB ALA 22 -19.326 42.042 8.047 42 3HB ALA 22 3HB ALA 22 -20.720 41.122 8.659 43 H ALA 23 H ALA 23 -18.205 39.551 8.140 44 HA ALA 23 HA ALA 23 -18.163 37.365 7.808 45 1HB ALA 23 1HB ALA 23 -17.808 35.889 9.755 46 2HB ALA 23 2HB ALA 23 -16.817 37.363 9.881 47 3HB ALA 23 3HB ALA 23 -18.303 37.205 10.847 48 H ALA 24 H ALA 24 -19.682 35.863 7.152 49 HA ALA 24 HA ALA 24 -22.135 35.600 8.647 50 1HB ALA 24 1HB ALA 24 -23.129 36.030 6.086 51 2HB ALA 24 2HB ALA 24 -23.218 37.177 7.444 52 3HB ALA 24 3HB ALA 24 -21.894 37.300 6.260 53 H LYS 25 H LYS 25 -23.648 34.060 7.093 54 HA LYS 25 HA LYS 25 -22.545 31.618 7.091 55 2HB LYS 25 2HB LYS 25 -24.383 32.165 4.819 56 2HG LYS 25 2HG LYS 25 -23.769 29.878 5.867 57 2HD LYS 25 2HD LYS 25 -25.703 30.889 8.005 58 2HE LYS 25 2HE LYS 25 -25.680 28.378 7.265 59 1HZ LYS 25 1HZ LYS 25 -23.357 28.211 8.997 60 2HZ LYS 25 2HZ LYS 25 -23.882 27.161 7.861 61 3HZ LYS 25 3HZ LYS 25 -23.115 28.531 7.413 62 H PHE 26 H PHE 26 -20.517 31.141 6.371 63 HA PHE 26 HA PHE 26 -19.828 32.059 3.681 64 2HB PHE 26 2HB PHE 26 -17.531 31.044 4.681 65 HD1 PHE 26 1HD PHE 26 -17.737 33.305 3.214 66 HD2 PHE 26 2HD PHE 26 -18.031 33.070 7.441 67 HE1 PHE 26 1HE PHE 26 -17.084 35.722 3.394 68 HE2 PHE 26 2HE PHE 26 -17.378 35.486 7.621 69 HZ PHE 26 HZ PHE 26 -16.912 36.784 5.596 70 H GLU 27 H GLU 27 -18.184 30.386 2.582 71 HA GLU 27 HA GLU 27 -18.144 28.544 1.410 72 2HB GLU 27 2HB GLU 27 -17.009 27.817 3.506 73 2HG GLU 27 2HG GLU 27 -19.841 26.969 4.217 74 H ARG 28 H ARG 28 -19.343 26.063 1.366 75 HA ARG 28 HA ARG 28 -21.128 25.068 0.661 76 2HB ARG 28 2HB ARG 28 -23.136 26.443 2.346 77 2HG ARG 28 2HG ARG 28 -22.044 23.679 2.864 78 2HD ARG 28 2HD ARG 28 -24.522 23.202 3.031 79 HE ARG 28 HE ARG 28 -24.207 25.442 4.877 80 1HH1 ARG 28 2HH2 ARG 28 -23.094 22.190 4.123 81 2HH1 ARG 28 1HH2 ARG 28 -22.591 21.849 5.745 82 1HH2 ARG 28 2HH1 ARG 28 -23.543 24.992 7.017 83 2HH2 ARG 28 1HH1 ARG 28 -22.848 23.454 7.402 84 H GLN 29 H GLN 29 -20.441 27.894 -0.372 85 HA GLN 29 HA GLN 29 -23.070 28.433 -1.517 86 2HB GLN 29 2HB GLN 29 -21.025 30.620 -1.466 87 2HG GLN 29 2HG GLN 29 -23.154 31.892 -0.790 88 1HE2 GLN 29 1HE2 GLN 29 -21.650 32.482 -2.643 89 2HE2 GLN 29 2HE2 GLN 29 -22.281 32.336 -4.249 90 H HIS 30 H HIS 30 -19.647 29.451 -2.206 91 HA HIS 30 HA HIS 30 -19.213 27.825 -4.357 92 2HB HIS 30 2HB HIS 30 -19.817 30.343 -5.717 93 HD1 HIS 30 1HD HIS 30 -22.378 27.928 -6.477 94 HD2 HIS 30 2HD HIS 30 -18.299 28.303 -7.380 95 HE1 HIS 30 1HE HIS 30 -21.950 26.421 -8.490 96 H MET 31 H MET 31 -17.048 27.821 -3.958 97 HA MET 31 HA MET 31 -15.696 30.343 -4.318 98 2HB MET 31 2HB MET 31 -16.109 30.051 -1.825 99 2HG MET 31 2HG MET 31 -14.119 27.762 -1.919 100 1HE MET 31 1HE MET 31 -15.313 25.908 -0.254 101 2HE MET 31 2HE MET 31 -13.935 26.451 0.733 102 3HE MET 31 3HE MET 31 -15.557 26.338 1.456 103 H ASP 32 H ASP 32 -16.051 27.760 -5.815 104 HA ASP 32 HA ASP 32 -14.887 26.322 -6.945 105 2HB ASP 32 2HB ASP 32 -12.484 28.091 -6.287 106 H SER 33 H SER 33 -12.765 24.790 -6.832 107 HA SER 33 HA SER 33 -12.885 23.259 -4.672 108 2HB SER 33 2HB SER 33 -10.795 22.279 -5.348 109 HG SER 33 HG SER 33 -11.531 21.827 -7.298 110 HA PRO 34 HA PRO 34 -10.915 25.337 -1.395 111 2HB PRO 34 2HB PRO 34 -11.765 23.867 0.161 112 2HG PRO 34 2HG PRO 34 -12.346 21.801 -0.683 113 2HD PRO 34 2HD PRO 34 -12.702 22.346 -2.888 114 H ASP 35 H ASP 35 -8.769 24.651 0.245 115 HA ASP 35 HA ASP 35 -6.724 25.572 -1.406 116 2HB ASP 35 2HB ASP 35 -6.625 24.241 1.341 117 H LEU 36 H LEU 36 -4.643 24.387 -1.894 118 HA LEU 36 HA LEU 36 -5.141 21.821 -2.932 119 2HB LEU 36 2HB LEU 36 -2.499 23.209 -2.469 120 HG LEU 36 HG LEU 36 -2.956 20.679 -3.551 121 1HD1 LEU 36 1HD1 LEU 36 -2.985 20.719 -5.819 122 2HD1 LEU 36 2HD1 LEU 36 -3.859 22.241 -5.524 123 3HD1 LEU 36 3HD1 LEU 36 -2.124 22.274 -5.920 124 1HD2 LEU 36 1HD2 LEU 36 -0.857 21.800 -2.614 125 2HD2 LEU 36 2HD2 LEU 36 -0.647 20.653 -3.959 126 3HD2 LEU 36 3HD2 LEU 36 -0.588 22.406 -4.266 127 H GLY 37 H GLY 37 -2.472 22.598 -0.619 128 1HA GLY 37 1HA GLY 37 -2.246 21.679 1.524 129 2HA GLY 37 2HA GLY 37 -3.401 20.424 1.124 130 H THR 38 H THR 38 -0.952 19.751 2.309 131 HA THR 38 HA THR 38 0.024 17.838 0.495 132 HB THR 38 HB THR 38 1.140 19.715 -0.613 133 HG1 THR 38 1HG THR 38 2.457 17.821 -0.243 134 1HG2 THR 38 1HG2 THR 38 1.073 21.298 1.406 135 2HG2 THR 38 2HG2 THR 38 2.411 20.349 2.098 136 3HG2 THR 38 3HG2 THR 38 2.644 21.232 0.569 137 H THR 39 H THR 39 -1.107 17.842 3.090 138 HA THR 39 HA THR 39 1.216 16.840 4.589 139 HB THR 39 HB THR 39 0.591 19.032 5.530 140 HG1 THR 39 1HG THR 39 0.930 16.968 6.867 141 1HG2 THR 39 1HG2 THR 39 -2.159 17.969 5.096 142 2HG2 THR 39 2HG2 THR 39 -1.899 18.680 6.708 143 3HG2 THR 39 3HG2 THR 39 -1.613 19.656 5.247 144 H LEU 40 H LEU 40 -0.573 15.424 2.768 145 HA LEU 40 HA LEU 40 -1.448 13.442 4.680 146 2HB LEU 40 2HB LEU 40 -3.505 14.370 4.698 147 HG LEU 40 HG LEU 40 -2.766 15.654 2.142 148 1HD1 LEU 40 1HD1 LEU 40 -4.506 14.553 1.095 149 2HD1 LEU 40 2HD1 LEU 40 -5.495 14.477 2.572 150 3HD1 LEU 40 3HD1 LEU 40 -5.309 16.020 1.705 151 1HD2 LEU 40 1HD2 LEU 40 -4.814 17.010 3.594 152 2HD2 LEU 40 2HD2 LEU 40 -3.614 16.395 4.755 153 3HD2 LEU 40 3HD2 LEU 40 -3.097 17.440 3.410 154 H LEU 41 H LEU 41 -2.053 11.367 3.518 155 HA LEU 41 HA LEU 41 -0.293 11.127 1.202 156 2HB LEU 41 2HB LEU 41 -0.065 8.870 1.735 157 HG LEU 41 HG LEU 41 -0.055 10.617 4.139 158 1HD1 LEU 41 1HD1 LEU 41 -1.135 8.167 4.555 159 2HD1 LEU 41 2HD1 LEU 41 0.596 7.802 4.755 160 3HD1 LEU 41 3HD1 LEU 41 -0.169 9.059 5.756 161 1HD2 LEU 41 1HD2 LEU 41 1.937 8.759 2.818 162 2HD2 LEU 41 2HD2 LEU 41 1.915 10.539 2.788 163 3HD2 LEU 41 3HD2 LEU 41 2.259 9.678 4.307 164 H GLU 42 H GLU 42 -3.304 12.126 1.544 165 HA GLU 42 HA GLU 42 -4.267 10.426 -0.623 166 2HB GLU 42 2HB GLU 42 -5.862 11.789 1.591 167 2HG GLU 42 2HG GLU 42 -7.536 10.025 0.214 168 H GLN 43 H GLN 43 -2.680 13.115 -0.367 169 HA GLN 43 HA GLN 43 -4.447 15.092 -1.274 170 2HB GLN 43 2HB GLN 43 -1.419 14.954 -1.613 171 2HG GLN 43 2HG GLN 43 -2.638 16.775 -2.883 172 1HE2 GLN 43 1HE2 GLN 43 -2.445 17.768 0.519 173 2HE2 GLN 43 2HE2 GLN 43 -4.013 18.493 0.633 174 H TYR 44 H TYR 44 -1.908 13.109 -2.967 175 HA TYR 44 HA TYR 44 -2.854 14.015 -5.530 176 2HB TYR 44 2HB TYR 44 -0.465 13.585 -5.190 177 HD1 TYR 44 1HD TYR 44 -1.329 9.997 -5.237 178 HD2 TYR 44 2HD TYR 44 0.270 13.211 -2.909 179 HE1 TYR 44 1HE TYR 44 -0.449 8.332 -3.528 180 HE2 TYR 44 2HE TYR 44 1.144 11.535 -1.209 181 HH TYR 44 HH TYR 44 1.391 8.275 -1.856 182 H CYS 45 H CYS 45 -5.043 12.895 -4.276 183 HA CYS 45 HA CYS 45 -5.381 10.497 -5.890 184 2HB CYS 45 2HB CYS 45 -6.415 9.250 -4.149 185 H HIS 46 H HIS 46 -7.216 12.410 -3.388 186 HA HIS 46 HA HIS 46 -9.312 13.148 -3.445 187 2HB HIS 46 2HB HIS 46 -7.967 15.006 -4.328 188 HD1 HIS 46 1HD HIS 46 -6.806 16.176 -6.255 189 HD2 HIS 46 2HD HIS 46 -9.187 12.953 -7.499 190 HE1 HIS 46 1HE HIS 46 -6.306 15.831 -8.734 191 H ARG 47 H ARG 47 -8.898 10.497 -4.752 192 HA ARG 47 HA ARG 47 -11.089 10.675 -6.661 193 2HB ARG 47 2HB ARG 47 -9.775 8.119 -6.847 194 2HG ARG 47 2HG ARG 47 -10.811 9.998 -8.572 195 2HD ARG 47 2HD ARG 47 -7.810 9.933 -9.118 196 HE ARG 47 HE ARG 47 -10.069 10.747 -10.689 197 1HH1 ARG 47 2HH2 ARG 47 -6.851 11.847 -9.788 198 2HH1 ARG 47 1HH2 ARG 47 -6.623 12.774 -11.234 199 1HH2 ARG 47 2HH1 ARG 47 -9.770 11.968 -12.597 200 2HH2 ARG 47 1HH1 ARG 47 -8.295 12.843 -12.843 201 H THR 48 H THR 48 -9.678 7.761 -5.073 202 HA THR 48 HA THR 48 -10.780 6.062 -4.074 203 HB THR 48 HB THR 48 -10.076 8.003 -2.367 204 HG1 THR 48 1HG THR 48 -10.921 6.458 -0.753 205 1HG2 THR 48 1HG2 THR 48 -12.759 8.724 -2.771 206 2HG2 THR 48 2HG2 THR 48 -12.823 7.718 -1.305 207 3HG2 THR 48 3HG2 THR 48 -11.779 9.160 -1.351 208 H THR 49 H THR 49 -12.310 7.196 -6.275 209 HA THR 49 HA THR 49 -15.043 7.007 -5.226 210 HB THR 49 HB THR 49 -15.488 7.825 -7.673 211 HG1 THR 49 1HG THR 49 -13.578 7.845 -8.787 212 1HG2 THR 49 1HG2 THR 49 -15.512 9.955 -6.830 213 2HG2 THR 49 2HG2 THR 49 -14.831 9.269 -5.336 214 3HG2 THR 49 3HG2 THR 49 -13.749 9.936 -6.581 215 H ILE 50 H ILE 50 -16.513 6.002 -7.202 216 HA ILE 50 HA ILE 50 -17.247 3.952 -7.735 217 HB ILE 50 HB ILE 50 -16.452 4.573 -9.812 218 2HG1 ILE 50 2HG1 ILE 50 -16.848 2.254 -9.911 219 1HG2 ILE 50 1HG2 ILE 50 -14.122 4.626 -10.499 220 2HG2 ILE 50 2HG2 ILE 50 -14.363 5.621 -9.042 221 3HG2 ILE 50 3HG2 ILE 50 -13.615 4.012 -8.906 222 1HD1 ILE 50 1HD1 ILE 50 -15.379 3.234 -11.773 223 2HD1 ILE 50 2HD1 ILE 50 -13.989 2.506 -10.930 224 3HD1 ILE 50 3HD1 ILE 50 -15.288 1.468 -11.567 225 H GLY 51 H GLY 51 -17.270 2.820 -5.757 226 1HA GLY 51 1HA GLY 51 -15.889 0.447 -5.620 227 2HA GLY 51 2HA GLY 51 -14.920 1.586 -4.706 228 H ASN 52 H ASN 52 -16.216 3.015 -3.072 229 HA ASN 52 HA ASN 52 -18.138 1.234 -1.798 230 2HB ASN 52 2HB ASN 52 -17.485 2.856 0.242 231 1HD2 ASN 52 1HD2 ASN 52 -14.492 2.146 0.268 232 2HD2 ASN 52 2HD2 ASN 52 -14.446 0.458 0.649 233 H PHE 53 H PHE 53 -17.639 4.222 -3.455 234 HA PHE 53 HA PHE 53 -20.307 4.984 -3.307 235 2HB PHE 53 2HB PHE 53 -19.282 5.539 -0.925 236 HD1 PHE 53 1HD PHE 53 -19.380 8.905 -1.606 237 HD2 PHE 53 2HD PHE 53 -16.673 5.640 -1.735 238 HE1 PHE 53 1HE PHE 53 -17.449 10.499 -1.440 239 HE2 PHE 53 2HE PHE 53 -14.742 7.235 -1.569 240 HZ PHE 53 HZ PHE 53 -15.153 9.646 -1.424 241 H SER 54 H SER 54 -20.752 6.869 -4.636 242 HA SER 54 HA SER 54 -20.417 8.167 -6.343 243 2HB SER 54 2HB SER 54 -17.575 8.824 -5.973 244 HG SER 54 HG SER 54 -19.052 10.296 -6.952 245 H GLY 55 H GLY 55 -20.542 6.060 -7.597 246 1HA GLY 55 1HA GLY 55 -19.427 5.688 -9.803 247 2HA GLY 55 2HA GLY 55 -17.957 5.422 -8.887 248 HA PRO 56 HA PRO 56 -20.687 1.602 -9.048 249 2HB PRO 56 2HB PRO 56 -21.635 1.436 -11.140 250 2HG PRO 56 2HG PRO 56 -20.827 2.945 -12.686 251 2HD PRO 56 2HD PRO 56 -20.071 4.601 -11.281 252 H TYR 57 H TYR 57 -18.338 0.592 -11.367 253 HA TYR 57 HA TYR 57 -16.200 0.145 -9.673 254 2HB TYR 57 2HB TYR 57 -17.815 -2.404 -10.127 255 HD1 TYR 57 1HD TYR 57 -14.769 -1.223 -9.425 256 HD2 TYR 57 2HD TYR 57 -17.812 -3.492 -7.452 257 HE1 TYR 57 1HE TYR 57 -13.012 -2.291 -7.930 258 HE2 TYR 57 2HE TYR 57 -16.045 -4.553 -5.963 259 HH TYR 57 HH TYR 57 -13.871 -4.887 -5.712 260 H THR 58 H THR 58 -15.860 -2.730 -10.727 261 HA THR 58 HA THR 58 -14.941 -3.718 -12.494 262 HB THR 58 HB THR 58 -16.790 -1.794 -14.000 263 HG1 THR 58 1HG THR 58 -16.892 -4.609 -13.167 264 1HG2 THR 58 1HG2 THR 58 -15.068 -4.125 -14.865 265 2HG2 THR 58 2HG2 THR 58 -16.704 -3.991 -15.554 266 3HG2 THR 58 3HG2 THR 58 -15.532 -2.671 -15.781 267 H TYR 59 H TYR 59 -13.588 -1.484 -11.205 268 HA TYR 59 HA TYR 59 -11.503 -1.182 -13.070 269 2HB TYR 59 2HB TYR 59 -13.322 1.217 -12.399 270 HD1 TYR 59 1HD TYR 59 -11.865 2.984 -11.839 271 HD2 TYR 59 2HD TYR 59 -10.976 0.517 -15.219 272 HE1 TYR 59 1HE TYR 59 -9.995 4.569 -12.513 273 HE2 TYR 59 2HE TYR 59 -9.109 2.110 -15.881 274 HH TYR 59 HH TYR 59 -8.167 4.756 -13.779 275 H CYS 60 H CYS 60 -9.604 -0.436 -12.062 276 HA CYS 60 HA CYS 60 -9.707 -0.485 -9.225 277 2HB CYS 60 2HB CYS 60 -7.357 -0.432 -9.280 278 H ASN 61 H ASN 61 -9.754 1.267 -7.815 279 HA ASN 61 HA ASN 61 -9.672 3.878 -9.105 280 2HB ASN 61 2HB ASN 61 -11.013 3.111 -6.460 281 1HD2 ASN 61 1HD2 ASN 61 -11.938 5.169 -9.166 282 2HD2 ASN 61 2HD2 ASN 61 -11.930 6.683 -8.326 283 H THR 62 H THR 62 -8.880 5.679 -7.506 284 HA THR 62 HA THR 62 -6.375 4.880 -6.423 285 HB THR 62 HB THR 62 -7.970 7.494 -6.298 286 HG1 THR 62 1HG THR 62 -6.731 7.868 -8.214 287 1HG2 THR 62 1HG2 THR 62 -5.789 8.566 -5.919 288 2HG2 THR 62 2HG2 THR 62 -6.050 7.363 -4.632 289 3HG2 THR 62 3HG2 THR 62 -4.964 6.991 -5.993 290 H THR 63 H THR 63 -5.972 3.935 -4.533 291 HA THR 63 HA THR 63 -7.439 4.824 -2.199 292 HB THR 63 HB THR 63 -8.074 2.363 -3.659 293 HG1 THR 63 1HG THR 63 -9.376 4.141 -2.505 294 1HG2 THR 63 1HG2 THR 63 -7.243 2.146 -0.718 295 2HG2 THR 63 2HG2 THR 63 -8.215 0.934 -1.586 296 3HG2 THR 63 3HG2 THR 63 -6.531 1.239 -2.074 297 H LEU 64 H LEU 64 -6.458 4.056 -0.173 298 HA LEU 64 HA LEU 64 -3.697 3.163 -0.590 299 2HB LEU 64 2HB LEU 64 -3.437 5.467 -0.304 300 HG LEU 64 HG LEU 64 -5.861 5.576 0.990 301 1HD1 LEU 64 1HD1 LEU 64 -4.072 4.957 3.026 302 2HD1 LEU 64 2HD1 LEU 64 -4.292 6.719 3.155 303 3HD1 LEU 64 3HD1 LEU 64 -5.706 5.639 3.207 304 1HD2 LEU 64 1HD2 LEU 64 -4.833 7.354 -0.333 305 2HD2 LEU 64 2HD2 LEU 64 -5.412 7.969 1.234 306 3HD2 LEU 64 3HD2 LEU 64 -3.675 7.675 0.979 307 H ASP 65 H ASP 65 -3.363 1.287 0.462 308 HA ASP 65 HA ASP 65 -5.247 0.590 2.522 309 2HB ASP 65 2HB ASP 65 -2.969 -1.223 1.791 310 H GLN 66 H GLN 66 -3.230 -1.320 3.764 311 HA GLN 66 HA GLN 66 -2.416 0.148 5.866 312 2HB GLN 66 2HB GLN 66 -2.390 -2.277 5.918 313 2HG GLN 66 2HG GLN 66 -1.193 -2.100 3.399 314 1HE2 GLN 66 1HE2 GLN 66 0.455 -4.387 3.302 315 2HE2 GLN 66 2HE2 GLN 66 2.048 -3.965 3.835 316 H ILE 67 H ILE 67 -1.052 0.084 2.645 317 HA ILE 67 HA ILE 67 1.421 1.315 3.582 318 HB ILE 67 HB ILE 67 0.536 -0.110 1.135 319 2HG1 ILE 67 2HG1 ILE 67 2.632 -1.232 1.368 320 1HG2 ILE 67 1HG2 ILE 67 2.573 0.836 -0.067 321 2HG2 ILE 67 2HG2 ILE 67 1.137 1.883 0.038 322 3HG2 ILE 67 3HG2 ILE 67 2.523 2.163 1.119 323 1HD1 ILE 67 1HD1 ILE 67 3.421 1.231 2.695 324 2HD1 ILE 67 2HD1 ILE 67 3.737 -0.160 3.758 325 3HD1 ILE 67 3HD1 ILE 67 4.445 -0.109 2.126 326 H GLY 68 H GLY 68 1.140 3.443 4.070 327 1HA GLY 68 1HA GLY 68 -0.722 5.206 3.423 328 2HA GLY 68 2HA GLY 68 0.973 5.646 3.497 329 H THR 69 H THR 69 2.092 4.429 1.254 330 HA THR 69 HA THR 69 1.725 6.164 -0.759 331 HB THR 69 HB THR 69 2.706 3.364 -0.454 332 HG1 THR 69 1HG THR 69 3.810 5.587 -0.427 333 1HG2 THR 69 1HG2 THR 69 1.781 2.744 -2.516 334 2HG2 THR 69 2HG2 THR 69 1.614 4.431 -3.058 335 3HG2 THR 69 3HG2 THR 69 3.207 3.636 -3.097 336 H CYS 70 H CYS 70 -0.042 6.920 -1.734 337 HA CYS 70 HA CYS 70 -2.301 5.145 -2.025 338 2HB CYS 70 2HB CYS 70 -1.852 8.076 -2.124 339 H TRP 71 H TRP 71 -2.667 4.015 -3.907 340 HA TRP 71 HA TRP 71 -0.973 4.640 -6.188 341 2HB TRP 71 2HB TRP 71 -1.667 2.485 -7.040 342 HD1 TRP 71 HD TRP 71 -1.835 1.738 -3.257 343 HE1 TRP 71 1HE TRP 71 0.418 0.666 -2.396 344 HE3 TRP 71 3HE TRP 71 0.750 2.405 -7.585 345 HZ2 TRP 71 2HZ TRP 71 2.970 0.227 -3.594 346 HZ3 TRP 71 3HZ TRP 71 3.118 1.626 -7.656 347 HH2 TRP 71 HH TRP 71 4.230 0.569 -5.753 348 HA PRO 72 HA PRO 72 -4.306 6.586 -8.196 349 2HB PRO 72 2HB PRO 72 -2.879 7.793 -9.540 350 2HG PRO 72 2HG PRO 72 -0.760 6.906 -9.738 351 2HD PRO 72 2HD PRO 72 -0.646 5.683 -7.795 352 H GLN 73 H GLN 73 -6.200 6.289 -9.411 353 HA GLN 73 HA GLN 73 -7.105 3.742 -9.403 354 2HB GLN 73 2HB GLN 73 -8.523 5.766 -9.646 355 2HG GLN 73 2HG GLN 73 -8.660 6.131 -12.428 356 1HE2 GLN 73 1HE2 GLN 73 -5.918 7.551 -10.842 357 2HE2 GLN 73 2HE2 GLN 73 -6.632 9.066 -10.399 358 H SER 74 H SER 74 -7.818 2.372 -11.366 359 HA SER 74 HA SER 74 -6.345 2.681 -13.743 360 2HB SER 74 2HB SER 74 -4.943 0.657 -13.576 361 HG SER 74 HG SER 74 -4.247 2.840 -12.595 362 H ALA 75 H ALA 75 -6.461 0.142 -14.834 363 HA ALA 75 HA ALA 75 -9.324 -0.437 -14.622 364 1HB ALA 75 1HB ALA 75 -7.717 0.122 -16.800 365 2HB ALA 75 2HB ALA 75 -7.776 -1.657 -16.817 366 3HB ALA 75 3HB ALA 75 -9.286 -0.714 -16.868 367 HA PRO 76 HA PRO 76 -8.544 -4.432 -13.153 368 2HB PRO 76 2HB PRO 76 -10.773 -5.008 -13.142 369 2HG PRO 76 2HG PRO 76 -12.072 -3.859 -14.663 370 2HD PRO 76 2HD PRO 76 -10.801 -1.963 -14.936 371 H GLY 77 H GLY 77 -7.330 -6.324 -13.278 372 1HA GLY 77 1HA GLY 77 -5.873 -7.742 -14.239 373 2HA GLY 77 2HA GLY 77 -6.714 -7.510 -15.759 374 H ALA 78 H ALA 78 -5.318 -4.781 -13.925 375 HA ALA 78 HA ALA 78 -3.756 -4.043 -16.198 376 1HB ALA 78 1HB ALA 78 -3.314 -2.056 -14.960 377 2HB ALA 78 2HB ALA 78 -4.984 -2.513 -14.545 378 3HB ALA 78 3HB ALA 78 -3.658 -2.854 -13.407 379 H LEU 79 H LEU 79 -1.551 -2.947 -14.403 380 HA LEU 79 HA LEU 79 -0.245 -5.108 -13.187 381 2HB LEU 79 2HB LEU 79 1.360 -4.545 -15.552 382 HG LEU 79 HG LEU 79 1.747 -6.868 -15.640 383 1HD1 LEU 79 1HD1 LEU 79 2.986 -6.918 -13.795 384 2HD1 LEU 79 2HD1 LEU 79 2.168 -5.420 -13.292 385 3HD1 LEU 79 3HD1 LEU 79 1.548 -6.997 -12.747 386 1HD2 LEU 79 1HD2 LEU 79 0.440 -8.566 -14.567 387 2HD2 LEU 79 2HD2 LEU 79 -0.562 -7.348 -13.741 388 3HD2 LEU 79 3HD2 LEU 79 -0.657 -7.527 -15.510 389 H VAL 80 H VAL 80 -0.124 -3.389 -11.622 390 HA VAL 80 HA VAL 80 1.613 -1.169 -12.407 391 HB VAL 80 HB VAL 80 -0.317 -1.624 -10.135 392 1HG1 VAL 80 1HG1 VAL 80 2.052 0.077 -10.193 393 2HG1 VAL 80 2HG1 VAL 80 0.559 1.017 -9.954 394 3HG1 VAL 80 3HG1 VAL 80 0.959 -0.315 -8.844 395 1HG2 VAL 80 1HG2 VAL 80 -0.308 -0.085 -12.669 396 2HG2 VAL 80 2HG2 VAL 80 -1.663 -0.788 -11.752 397 3HG2 VAL 80 3HG2 VAL 80 -0.960 0.768 -11.249 398 H GLU 81 H GLU 81 3.224 -3.196 -12.463 399 HA GLU 81 HA GLU 81 4.174 -3.713 -9.781 400 2HB GLU 81 2HB GLU 81 3.920 -5.659 -11.245 401 2HG GLU 81 2HG GLU 81 4.926 -3.885 -13.249 402 H ARG 82 H ARG 82 6.125 -2.926 -8.975 403 HA ARG 82 HA ARG 82 7.998 -1.789 -10.789 404 2HB ARG 82 2HB ARG 82 6.663 0.196 -10.604 405 2HG ARG 82 2HG ARG 82 6.601 -0.218 -7.579 406 2HD ARG 82 2HD ARG 82 6.383 2.158 -8.669 407 HE ARG 82 HE ARG 82 4.151 0.798 -9.942 408 1HH1 ARG 82 2HH2 ARG 82 5.177 3.887 -8.605 409 2HH1 ARG 82 1HH2 ARG 82 4.080 4.815 -9.572 410 1HH2 ARG 82 2HH1 ARG 82 2.703 2.023 -11.218 411 2HH2 ARG 82 1HH1 ARG 82 2.664 3.747 -11.068 412 HA PRO 83 HA PRO 83 9.524 -3.512 -6.814 413 2HB PRO 83 2HB PRO 83 9.224 -5.768 -7.162 414 2HG PRO 83 2HG PRO 83 8.599 -6.337 -9.309 415 2HD PRO 83 2HD PRO 83 7.638 -4.363 -9.990 416 H CYS 84 H CYS 84 11.438 -3.029 -5.809 417 HA CYS 84 HA CYS 84 13.037 -1.203 -6.857 418 2HB CYS 84 2HB CYS 84 13.605 -1.555 -4.710 419 HA PRO 85 HA PRO 85 14.676 -3.620 -10.230 420 2HB PRO 85 2HB PRO 85 13.654 -2.372 -11.873 421 2HG PRO 85 2HG PRO 85 12.737 -0.385 -11.143 422 2HD PRO 85 2HD PRO 85 12.409 -0.879 -8.921 423 H GLU 86 H GLU 86 16.047 -2.278 -7.820 424 HA GLU 86 HA GLU 86 18.345 -1.146 -8.411 425 2HB GLU 86 2HB GLU 86 19.243 -2.951 -6.542 426 2HG GLU 86 2HG GLU 86 17.608 -1.284 -5.025 427 H TYR 87 H TYR 87 20.663 -2.072 -8.509 428 HA TYR 87 HA TYR 87 20.820 -3.760 -10.786 429 2HB TYR 87 2HB TYR 87 22.334 -1.797 -9.789 430 HD1 TYR 87 1HD TYR 87 22.104 -1.969 -7.202 431 HD2 TYR 87 2HD TYR 87 24.793 -4.367 -9.509 432 HE1 TYR 87 1HE TYR 87 23.489 -2.432 -5.120 433 HE2 TYR 87 2HE TYR 87 26.169 -4.822 -7.420 434 HH TYR 87 HH TYR 87 25.136 -4.535 -4.487 435 H PHE 88 H PHE 88 20.918 -4.255 -7.282 436 HA PHE 88 HA PHE 88 22.402 -6.460 -6.952 437 2HB PHE 88 2HB PHE 88 20.887 -5.169 -5.309 438 HD1 PHE 88 1HD PHE 88 19.069 -4.692 -7.494 439 HD2 PHE 88 2HD PHE 88 18.777 -7.542 -4.363 440 HE1 PHE 88 1HE PHE 88 16.572 -4.703 -7.737 441 HE2 PHE 88 2HE PHE 88 16.279 -7.551 -4.606 442 HZ PHE 88 HZ PHE 88 15.206 -6.132 -6.290 443 H ASN 89 H ASN 89 19.428 -6.202 -8.840 444 HA ASN 89 HA ASN 89 19.364 -9.100 -9.042 445 2HB ASN 89 2HB ASN 89 17.215 -7.976 -8.434 446 1HD2 ASN 89 1HD2 ASN 89 15.689 -6.455 -8.752 447 2HD2 ASN 89 2HD2 ASN 89 15.795 -5.165 -9.904 448 H GLY 90 H GLY 90 18.026 -9.273 -11.576 449 1HA GLY 90 1HA GLY 90 20.204 -8.490 -13.371 450 2HA GLY 90 2HA GLY 90 18.962 -9.690 -13.667 451 H ILE 91 H ILE 91 18.970 -6.172 -12.718 452 HA ILE 91 HA ILE 91 17.874 -5.349 -15.179 453 HB ILE 91 HB ILE 91 15.988 -6.577 -13.662 454 2HG1 ILE 91 2HG1 ILE 91 14.343 -5.310 -15.072 455 1HG2 ILE 91 1HG2 ILE 91 15.782 -3.622 -13.023 456 2HG2 ILE 91 2HG2 ILE 91 14.550 -4.859 -12.674 457 3HG2 ILE 91 3HG2 ILE 91 16.135 -4.929 -11.868 458 1HD1 ILE 91 1HD1 ILE 91 16.689 -4.053 -16.478 459 2HD1 ILE 91 2HD1 ILE 91 14.982 -3.547 -16.446 460 3HD1 ILE 91 3HD1 ILE 91 16.032 -3.228 -15.044 461 H LYS 92 H LYS 92 17.962 -3.086 -15.371 462 HA LYS 92 HA LYS 92 19.487 -1.830 -13.278 463 2HB LYS 92 2HB LYS 92 18.779 -0.005 -15.356 464 2HG LYS 92 2HG LYS 92 21.241 -1.526 -14.455 465 2HD LYS 92 2HD LYS 92 21.102 0.415 -16.810 466 2HE LYS 92 2HE LYS 92 23.516 -1.240 -16.100 467 1HZ LYS 92 1HZ LYS 92 23.026 1.414 -17.249 468 2HZ LYS 92 2HZ LYS 92 24.520 0.855 -16.899 469 3HZ LYS 92 3HZ LYS 92 23.605 0.095 -18.017 470 H TYR 93 H TYR 93 18.863 0.078 -12.120 471 HA TYR 93 HA TYR 93 15.942 0.317 -11.911 472 2HB TYR 93 2HB TYR 93 17.362 -0.463 -9.926 473 HD1 TYR 93 1HD TYR 93 19.810 -0.439 -10.312 474 HD2 TYR 93 2HD TYR 93 17.676 3.118 -9.263 475 HE1 TYR 93 1HE TYR 93 21.998 0.702 -9.697 476 HE2 TYR 93 2HE TYR 93 19.870 4.247 -8.652 477 HH TYR 93 HH TYR 93 22.946 2.673 -9.294 478 H ASN 94 H ASN 94 14.967 2.398 -11.801 479 HA ASN 94 HA ASN 94 16.760 4.510 -12.716 480 2HB ASN 94 2HB ASN 94 14.701 5.489 -13.833 481 1HD2 ASN 94 1HD2 ASN 94 14.541 1.961 -14.001 482 2HD2 ASN 94 2HD2 ASN 94 15.267 1.770 -15.561 483 H THR 95 H THR 95 13.902 3.528 -10.751 484 HA THR 95 HA THR 95 14.047 6.107 -9.334 485 HB THR 95 HB THR 95 11.661 5.445 -8.665 486 HG1 THR 95 1HG THR 95 12.044 3.138 -9.145 487 1HG2 THR 95 1HG2 THR 95 10.946 5.364 -11.324 488 2HG2 THR 95 2HG2 THR 95 11.341 6.871 -10.462 489 3HG2 THR 95 3HG2 THR 95 12.581 6.056 -11.446 490 H THR 96 H THR 96 12.694 5.377 -7.002 491 HA THR 96 HA THR 96 14.539 3.382 -5.860 492 HB THR 96 HB THR 96 15.254 5.636 -5.195 493 HG1 THR 96 1HG THR 96 13.487 4.451 -3.175 494 1HG2 THR 96 1HG2 THR 96 13.752 7.177 -4.020 495 2HG2 THR 96 2HG2 THR 96 13.008 6.788 -5.589 496 3HG2 THR 96 3HG2 THR 96 12.417 6.003 -4.104 497 H ARG 97 H ARG 97 11.301 4.929 -5.800 498 HA ARG 97 HA ARG 97 10.267 3.466 -3.740 499 2HB ARG 97 2HB ARG 97 8.025 3.874 -4.942 500 2HG ARG 97 2HG ARG 97 9.296 6.510 -5.191 501 2HD ARG 97 2HD ARG 97 7.363 5.248 -3.187 502 HE ARG 97 HE ARG 97 7.910 7.221 -2.036 503 1HH1 ARG 97 2HH2 ARG 97 7.587 7.913 -5.471 504 2HH1 ARG 97 1HH2 ARG 97 7.674 9.631 -5.264 505 1HH2 ARG 97 2HH1 ARG 97 8.024 9.487 -1.761 506 2HH2 ARG 97 1HH1 ARG 97 7.924 10.532 -3.139 507 H ASN 98 H ASN 98 10.096 1.258 -3.517 508 HA ASN 98 HA ASN 98 9.711 -0.250 -5.982 509 2HB ASN 98 2HB ASN 98 11.702 -1.164 -5.182 510 1HD2 ASN 98 1HD2 ASN 98 10.204 -1.812 -2.111 511 2HD2 ASN 98 2HD2 ASN 98 11.250 -0.860 -1.111 512 H ALA 99 H ALA 99 7.759 -1.393 -6.094 513 HA ALA 99 HA ALA 99 6.566 -2.792 -4.084 514 1HB ALA 99 1HB ALA 99 5.476 -1.352 -2.747 515 2HB ALA 99 2HB ALA 99 6.315 -0.016 -3.571 516 3HB ALA 99 3HB ALA 99 4.722 -0.557 -4.150 517 H TYR 100 H TYR 100 5.659 -4.249 -5.447 518 HA TYR 100 HA TYR 100 4.391 -3.217 -7.876 519 2HB TYR 100 2HB TYR 100 6.006 -5.517 -6.998 520 HD1 TYR 100 1HD TYR 100 5.439 -7.699 -6.490 521 HD2 TYR 100 2HD TYR 100 2.943 -5.507 -9.184 522 HE1 TYR 100 1HE TYR 100 3.924 -9.725 -6.745 523 HE2 TYR 100 2HE TYR 100 1.435 -7.539 -9.431 524 HH TYR 100 HH TYR 100 1.277 -9.920 -7.398 525 H ARG 101 H ARG 101 2.228 -3.614 -8.372 526 HA ARG 101 HA ARG 101 0.757 -5.288 -6.560 527 2HB ARG 101 2HB ARG 101 -0.849 -2.920 -6.926 528 2HG ARG 101 2HG ARG 101 0.376 -3.217 -4.273 529 2HD ARG 101 2HD ARG 101 -2.238 -4.123 -4.116 530 HE ARG 101 HE ARG 101 -1.892 -1.202 -4.242 531 1HH1 ARG 101 2HH2 ARG 101 -1.413 -4.116 -2.329 532 2HH1 ARG 101 1HH2 ARG 101 -1.318 -3.264 -0.823 533 1HH2 ARG 101 2HH1 ARG 101 -1.766 -0.079 -2.256 534 2HH2 ARG 101 1HH1 ARG 101 -1.521 -0.953 -0.782 535 H GLU 102 H GLU 102 -0.637 -6.522 -7.792 536 HA GLU 102 HA GLU 102 -1.111 -5.600 -10.494 537 2HB GLU 102 2HB GLU 102 -0.258 -7.826 -10.442 538 2HG GLU 102 2HG GLU 102 -2.039 -8.070 -8.051 539 H CYS 103 H CYS 103 -3.305 -5.736 -11.446 540 HA CYS 103 HA CYS 103 -5.331 -5.309 -9.375 541 2HB CYS 103 2HB CYS 103 -6.212 -4.315 -11.888 542 H LEU 104 H LEU 104 -6.889 -6.893 -9.261 543 HA LEU 104 HA LEU 104 -6.838 -9.089 -11.000 544 2HB LEU 104 2HB LEU 104 -9.203 -9.373 -9.808 545 HG LEU 104 HG LEU 104 -6.454 -9.774 -8.697 546 1HD1 LEU 104 1HD1 LEU 104 -7.735 -8.974 -6.765 547 2HD1 LEU 104 2HD1 LEU 104 -8.976 -10.212 -7.074 548 3HD1 LEU 104 3HD1 LEU 104 -7.327 -10.702 -6.618 549 1HD2 LEU 104 1HD2 LEU 104 -7.972 -12.101 -8.481 550 2HD2 LEU 104 2HD2 LEU 104 -8.518 -11.347 -9.999 551 3HD2 LEU 104 3HD2 LEU 104 -6.791 -11.701 -9.752 552 H GLU 105 H GLU 105 -9.166 -9.817 -11.974 553 HA GLU 105 HA GLU 105 -9.617 -7.838 -13.994 554 2HB GLU 105 2HB GLU 105 -11.294 -10.269 -14.077 555 2HG GLU 105 2HG GLU 105 -9.125 -9.136 -15.907 556 H ASN 106 H ASN 106 -10.739 -8.162 -10.921 557 HA ASN 106 HA ASN 106 -13.509 -7.681 -11.598 558 2HB ASN 106 2HB ASN 106 -12.917 -7.473 -8.747 559 1HD2 ASN 106 1HD2 ASN 106 -13.499 -10.275 -10.849 560 2HD2 ASN 106 2HD2 ASN 106 -15.153 -10.546 -10.410 561 H GLY 107 H GLY 107 -10.669 -5.954 -11.417 562 1HA GLY 107 1HA GLY 107 -10.354 -3.699 -11.450 563 2HA GLY 107 2HA GLY 107 -12.021 -3.445 -10.975 564 H THR 108 H THR 108 -9.673 -5.570 -9.266 565 HA THR 108 HA THR 108 -9.760 -3.667 -7.016 566 HB THR 108 HB THR 108 -9.779 -5.673 -5.553 567 HG1 THR 108 1HG THR 108 -8.592 -7.070 -7.015 568 1HG2 THR 108 1HG2 THR 108 -12.050 -5.709 -5.805 569 2HG2 THR 108 2HG2 THR 108 -11.904 -5.082 -7.465 570 3HG2 THR 108 3HG2 THR 108 -11.831 -6.836 -7.167 571 H TRP 109 H TRP 109 -7.875 -4.046 -5.440 572 HA TRP 109 HA TRP 109 -5.477 -4.030 -7.082 573 2HB TRP 109 2HB TRP 109 -4.563 -3.375 -4.676 574 HD1 TRP 109 HD TRP 109 -6.703 -0.470 -4.886 575 HE1 TRP 109 1HE TRP 109 -5.844 1.428 -6.506 576 HE3 TRP 109 3HE TRP 109 -3.336 -3.373 -7.353 577 HZ2 TRP 109 2HZ TRP 109 -3.897 1.500 -8.592 578 HZ3 TRP 109 3HZ TRP 109 -1.997 -2.312 -9.168 579 HH2 TRP 109 HH TRP 109 -2.234 0.038 -9.799 580 H ALA 110 H ALA 110 -3.524 -4.925 -5.364 581 HA ALA 110 HA ALA 110 -4.081 -7.755 -5.331 582 1HB ALA 110 1HB ALA 110 -1.541 -7.431 -4.340 583 2HB ALA 110 2HB ALA 110 -1.944 -7.549 -6.071 584 3HB ALA 110 3HB ALA 110 -1.731 -5.953 -5.313 585 H SER 111 H SER 111 -2.522 -8.640 -3.177 586 HA SER 111 HA SER 111 -4.346 -8.049 -1.057 587 2HB SER 111 2HB SER 111 -2.592 -9.774 0.079 588 HG SER 111 HG SER 111 -4.038 -11.215 -1.761 589 H ARG 112 H ARG 112 -0.719 -8.106 -1.437 590 HA ARG 112 HA ARG 112 -0.664 -5.796 0.313 591 2HB ARG 112 2HB ARG 112 1.641 -7.602 0.716 592 2HG ARG 112 2HG ARG 112 -0.400 -6.174 2.463 593 2HD ARG 112 2HD ARG 112 0.972 -8.570 3.172 594 HE ARG 112 HE ARG 112 2.743 -6.437 3.644 595 1HH1 ARG 112 2HH2 ARG 112 1.089 -8.862 5.583 596 2HH1 ARG 112 1HH2 ARG 112 2.318 -8.910 6.803 597 1HH2 ARG 112 2HH1 ARG 112 4.365 -6.499 5.251 598 2HH2 ARG 112 1HH1 ARG 112 4.195 -7.557 6.613 599 H VAL 113 H VAL 113 0.759 -4.201 -0.420 600 HA VAL 113 HA VAL 113 2.080 -4.721 -2.921 601 HB VAL 113 HB VAL 113 0.746 -2.646 -2.200 602 1HG1 VAL 113 1HG1 VAL 113 3.162 -1.275 -1.310 603 2HG1 VAL 113 2HG1 VAL 113 1.523 -1.268 -0.617 604 3HG1 VAL 113 3HG1 VAL 113 2.668 -2.560 -0.182 605 1HG2 VAL 113 1HG2 VAL 113 2.569 -3.067 -4.156 606 2HG2 VAL 113 2HG2 VAL 113 1.692 -1.534 -3.936 607 3HG2 VAL 113 3HG2 VAL 113 3.344 -1.713 -3.296 608 H ASN 114 H ASN 114 4.393 -3.310 -2.919 609 HA ASN 114 HA ASN 114 6.436 -3.117 -2.112 610 2HB ASN 114 2HB ASN 114 6.084 -5.040 0.186 611 1HD2 ASN 114 1HD2 ASN 114 6.228 -1.606 0.536 612 2HD2 ASN 114 2HD2 ASN 114 7.912 -1.448 0.910 613 H TYR 115 H TYR 115 5.187 -6.394 -1.080 614 HA TYR 115 HA TYR 115 5.818 -8.458 -1.586 615 2HB TYR 115 2HB TYR 115 6.658 -8.620 -4.097 616 HD1 TYR 115 1HD TYR 115 4.115 -5.927 -3.643 617 HD2 TYR 115 2HD TYR 115 4.828 -10.063 -4.475 618 HE1 TYR 115 1HE TYR 115 1.660 -6.240 -4.229 619 HE2 TYR 115 2HE TYR 115 2.372 -10.362 -5.058 620 HH TYR 115 HH TYR 115 0.237 -9.255 -4.477 621 H SER 116 H SER 116 7.509 -9.419 -0.583 622 HA SER 116 HA SER 116 10.050 -8.166 -0.645 623 2HB SER 116 2HB SER 116 9.146 -9.332 1.368 624 HG SER 116 HG SER 116 9.732 -11.773 -0.073 625 H HIS 117 H HIS 117 8.469 -9.905 -2.954 626 HA HIS 117 HA HIS 117 10.695 -11.621 -3.659 627 2HB HIS 117 2HB HIS 117 9.176 -12.427 -5.438 628 HD1 HIS 117 1HD HIS 117 10.048 -13.614 -2.744 629 HD2 HIS 117 2HD HIS 117 6.057 -12.774 -3.725 630 HE1 HIS 117 1HE HIS 117 8.616 -15.100 -1.244 631 H CYS 118 H CYS 118 10.864 -8.604 -3.649 632 HA CYS 118 HA CYS 118 10.755 -7.725 -6.312 633 2HB CYS 118 2HB CYS 118 11.986 -6.689 -3.782 634 H GLU 119 H GLU 119 11.831 -9.797 -7.189 635 HA GLU 119 HA GLU 119 13.515 -10.834 -8.082 636 2HB GLU 119 2HB GLU 119 15.542 -9.455 -8.744 637 2HG GLU 119 2HG GLU 119 13.716 -7.526 -9.667 638 HA PRO 120 HA PRO 120 15.552 -11.845 -4.240 639 2HB PRO 120 2HB PRO 120 14.123 -13.559 -3.676 640 2HG PRO 120 2HG PRO 120 12.690 -14.212 -5.361 641 2HD PRO 120 2HD PRO 120 12.632 -12.288 -6.617 642 H ILE 121 H ILE 121 17.685 -11.933 -3.862 643 HA ILE 121 HA ILE 121 19.400 -12.056 -6.021 644 HB ILE 121 HB ILE 121 19.960 -12.620 -3.107 645 2HG1 ILE 121 2HG1 ILE 121 20.564 -10.215 -3.016 646 1HG2 ILE 121 1HG2 ILE 121 22.082 -11.346 -4.630 647 2HG2 ILE 121 2HG2 ILE 121 22.127 -12.781 -3.577 648 3HG2 ILE 121 3HG2 ILE 121 21.660 -12.946 -5.286 649 1HD1 ILE 121 1HD1 ILE 121 18.925 -9.488 -5.344 650 2HD1 ILE 121 2HD1 ILE 121 20.515 -8.865 -4.842 651 3HD1 ILE 121 3HD1 ILE 121 20.409 -10.353 -5.814 652 H LEU 122 H LEU 122 19.028 -13.807 -7.404 653 HA LEU 122 HA LEU 122 20.430 -16.142 -6.816 654 2HB LEU 122 2HB LEU 122 18.590 -16.609 -5.292 655 HG LEU 122 HG LEU 122 16.829 -15.490 -7.006 656 1HD1 LEU 122 1HD1 LEU 122 16.386 -16.829 -8.730 657 2HD1 LEU 122 2HD1 LEU 122 17.248 -18.202 -7.994 658 3HD1 LEU 122 3HD1 LEU 122 15.549 -17.884 -7.567 659 1HD2 LEU 122 1HD2 LEU 122 16.535 -16.142 -4.599 660 2HD2 LEU 122 2HD2 LEU 122 15.092 -16.350 -5.619 661 3HD2 LEU 122 3HD2 LEU 122 16.070 -17.765 -5.160 662 H ASP 123 H ASP 123 20.479 -14.225 -8.843 663 HA ASP 123 HA ASP 123 19.031 -15.446 -11.027 664 2HB ASP 123 2HB ASP 123 20.880 -13.097 -11.403 665 H ASP 124 H ASP 124 20.757 -14.893 -13.191 666 HA ASP 124 HA ASP 124 22.469 -15.635 -14.293 667 2HB ASP 124 2HB ASP 124 24.699 -15.741 -13.215 668 H LYS 125 H LYS 125 23.757 -17.680 -14.740 669 HA LYS 125 HA LYS 125 22.397 -19.968 -14.197 670 2HB LYS 125 2HB LYS 125 25.206 -20.557 -14.489 671 2HG LYS 125 2HG LYS 125 23.293 -20.486 -16.805 672 2HD LYS 125 2HD LYS 125 24.241 -23.082 -16.371 673 2HE LYS 125 2HE LYS 125 24.853 -20.796 -18.166 674 1HZ LYS 125 1HZ LYS 125 26.719 -23.032 -18.202 675 2HZ LYS 125 2HZ LYS 125 26.871 -21.554 -18.880 676 3HZ LYS 125 3HZ LYS 125 27.042 -21.734 -17.266 677 H GLN 126 H GLN 126 23.110 -21.928 -12.907 678 HA GLN 126 HA GLN 126 24.281 -21.046 -10.387 679 2HB GLN 126 2HB GLN 126 22.505 -23.180 -9.798 680 2HG GLN 126 2HG GLN 126 21.501 -20.414 -9.368 681 1HE2 GLN 126 1HE2 GLN 126 19.790 -21.641 -8.550 682 2HE2 GLN 126 2HE2 GLN 126 19.880 -22.470 -7.031 683 H ARG 127 H ARG 127 24.714 -23.276 -9.004 684 HA ARG 127 HA ARG 127 25.921 -25.057 -8.805 685 2HB ARG 127 2HB ARG 127 25.816 -26.173 -11.526 686 2HG ARG 127 2HG ARG 127 24.129 -27.676 -9.925 687 2HD ARG 127 2HD ARG 127 27.180 -27.799 -9.824 688 HE ARG 127 HE ARG 127 26.602 -29.730 -8.653 689 1HH1 ARG 127 2HH2 ARG 127 24.213 -29.194 -11.181 690 2HH1 ARG 127 1HH2 ARG 127 23.364 -30.670 -10.870 691 1HH2 ARG 127 2HH1 ARG 127 25.482 -31.679 -8.242 692 2HH2 ARG 127 1HH1 ARG 127 24.090 -32.094 -9.187 693 H LYS 128 H LYS 128 28.152 -25.603 -8.995 694 HA LYS 128 HA LYS 128 29.574 -24.097 -11.078 695 2HB LYS 128 2HB LYS 128 29.985 -23.248 -8.821 696 2HG LYS 128 2HG LYS 128 30.400 -26.156 -8.274 697 2HD LYS 128 2HD LYS 128 32.137 -23.999 -6.982 698 2HE LYS 128 2HE LYS 128 31.109 -26.305 -5.800 699 1HZ LYS 128 1HZ LYS 128 33.883 -26.897 -6.505 700 2HZ LYS 128 2HZ LYS 128 32.772 -27.886 -5.830 701 3HZ LYS 128 3HZ LYS 128 32.649 -27.473 -7.405 702 H TYR 129 H TYR 129 31.787 -25.150 -11.619 703 HA TYR 129 HA TYR 129 31.381 -27.536 -12.859 704 2HB TYR 129 2HB TYR 129 33.334 -25.731 -12.815 705 HD1 TYR 129 1HD TYR 129 35.772 -28.023 -12.222 706 HD2 TYR 129 2HD TYR 129 33.168 -25.445 -10.014 707 HE1 TYR 129 1HE TYR 129 37.413 -28.016 -10.280 708 HE2 TYR 129 2HE TYR 129 34.818 -25.447 -8.081 709 HH TYR 129 HH TYR 129 37.806 -26.099 -8.263 710 H ASP 130 H ASP 130 32.838 -29.603 -12.384 711 HA ASP 130 HA ASP 130 33.388 -30.284 -9.778 712 2HB ASP 130 2HB ASP 130 30.891 -31.747 -10.640 713 H LEU 131 H LEU 131 33.638 -32.844 -9.647 714 HA LEU 131 HA LEU 131 34.359 -34.751 -10.500 715 2HB LEU 131 2HB LEU 131 33.546 -34.315 -13.288 716 HG LEU 131 HG LEU 131 33.969 -36.563 -12.002 717 1HD1 LEU 131 1HD1 LEU 131 31.786 -35.588 -10.531 718 2HD1 LEU 131 2HD1 LEU 131 31.140 -36.908 -11.535 719 3HD1 LEU 131 3HD1 LEU 131 32.519 -37.208 -10.451 720 1HD2 LEU 131 1HD2 LEU 131 31.470 -36.556 -13.663 721 2HD2 LEU 131 2HD2 LEU 131 33.019 -36.056 -14.383 722 3HD2 LEU 131 3HD2 LEU 131 32.849 -37.682 -13.678 723 H HIS 132 H HIS 132 35.817 -35.613 -12.525 724 HA HIS 132 HA HIS 132 37.727 -35.456 -13.599 725 2HB HIS 132 2HB HIS 132 36.631 -32.738 -13.927 726 HD1 HIS 132 1HD HIS 132 38.690 -31.567 -12.419 727 HD2 HIS 132 2HD HIS 132 39.635 -33.134 -16.193 728 HE1 HIS 132 1HE HIS 132 40.894 -30.484 -13.111 729 HE2 HIS 132 2HE HIS 132 41.452 -31.527 -15.413 730 H TYR 133 H TYR 133 39.828 -35.626 -12.874 731 HA TYR 133 HA TYR 133 40.323 -34.829 -10.185 732 2HB TYR 133 2HB TYR 133 42.495 -35.649 -12.127 733 HD1 TYR 133 1HD TYR 133 44.344 -36.351 -10.925 734 HD2 TYR 133 2HD TYR 133 40.456 -36.918 -9.232 735 HE1 TYR 133 1HE TYR 133 45.393 -37.333 -8.828 736 HE2 TYR 133 2HE TYR 133 41.517 -37.898 -7.140 737 HH TYR 133 HH TYR 133 44.178 -37.460 -6.098 Start of MODEL 8 1 1H GLY 15 H GLY 15 0.349 25.988 47.095 2 1HA GLY 15 1HA GLY 15 2.860 25.382 45.706 3 2HA GLY 15 2HA GLY 15 1.524 24.289 46.005 4 H SER 16 H SER 16 2.852 24.808 43.431 5 HA SER 16 HA SER 16 0.467 25.601 41.997 6 2HB SER 16 2HB SER 16 3.141 26.579 40.982 7 HG SER 16 HG SER 16 1.674 28.321 40.216 8 H GLY 17 H GLY 17 0.424 24.724 39.757 9 1HA GLY 17 1HA GLY 17 2.518 23.043 38.808 10 2HA GLY 17 2HA GLY 17 1.244 22.099 39.554 11 H MET 18 H MET 18 1.254 21.364 37.117 12 HA MET 18 HA MET 18 -0.881 22.874 35.873 13 2HB MET 18 2HB MET 18 0.801 21.909 33.757 14 2HG MET 18 2HG MET 18 0.852 24.786 34.715 15 1HE MET 18 1HE MET 18 3.333 24.339 31.804 16 2HE MET 18 2HE MET 18 2.911 25.563 33.025 17 3HE MET 18 3HE MET 18 3.100 23.859 33.503 18 H LYS 19 H LYS 19 -2.512 21.534 35.189 19 HA LYS 19 HA LYS 19 -2.031 18.689 35.392 20 2HB LYS 19 2HB LYS 19 -4.621 18.804 34.816 21 2HG LYS 19 2HG LYS 19 -4.026 19.930 37.518 22 2HD LYS 19 2HD LYS 19 -5.908 18.154 36.287 23 2HE LYS 19 2HE LYS 19 -4.640 16.801 38.682 24 1HZ LYS 19 1HZ LYS 19 -6.757 16.333 36.919 25 2HZ LYS 19 2HZ LYS 19 -5.690 15.104 36.797 26 3HZ LYS 19 3HZ LYS 19 -6.332 15.487 38.250 27 H GLU 20 H GLU 20 -0.440 18.983 33.482 28 HA GLU 20 HA GLU 20 -1.644 19.435 30.961 29 2HB GLU 20 2HB GLU 20 0.666 18.470 30.183 30 2HG GLU 20 2HG GLU 20 1.777 20.631 31.368 31 H THR 21 H THR 21 -1.194 17.657 29.142 32 HA THR 21 HA THR 21 -1.494 14.949 30.097 33 HB THR 21 HB THR 21 -3.758 16.536 28.802 34 HG1 THR 21 1HG THR 21 -3.529 14.613 31.005 35 1HG2 THR 21 1HG2 THR 21 -4.973 14.360 28.662 36 2HG2 THR 21 2HG2 THR 21 -3.556 14.356 27.585 37 3HG2 THR 21 3HG2 THR 21 -3.491 13.503 29.147 38 H ALA 22 H ALA 22 0.582 14.848 29.014 39 HA ALA 22 HA ALA 22 0.620 15.357 26.188 40 1HB ALA 22 1HB ALA 22 2.505 14.801 28.360 41 2HB ALA 22 2HB ALA 22 2.893 13.888 26.882 42 3HB ALA 22 3HB ALA 22 2.761 15.662 26.823 43 H ALA 23 H ALA 23 -1.484 13.783 26.307 44 HA ALA 23 HA ALA 23 -0.695 11.480 24.892 45 1HB ALA 23 1HB ALA 23 -0.152 10.811 27.285 46 2HB ALA 23 2HB ALA 23 -1.894 10.927 27.631 47 3HB ALA 23 3HB ALA 23 -1.300 9.746 26.440 48 H ALA 24 H ALA 24 -2.808 10.009 24.610 49 HA ALA 24 HA ALA 24 -4.890 9.893 23.875 50 1HB ALA 24 1HB ALA 24 -5.313 12.127 25.900 51 2HB ALA 24 2HB ALA 24 -6.629 11.275 25.056 52 3HB ALA 24 3HB ALA 24 -5.553 10.381 26.157 53 H LYS 25 H LYS 25 -5.946 10.598 22.028 54 HA LYS 25 HA LYS 25 -4.753 12.761 20.650 55 2HB LYS 25 2HB LYS 25 -5.674 10.630 19.651 56 2HG LYS 25 2HG LYS 25 -8.176 10.994 18.959 57 2HD LYS 25 2HD LYS 25 -8.047 10.372 21.888 58 2HE LYS 25 2HE LYS 25 -8.862 8.551 19.598 59 1HZ LYS 25 1HZ LYS 25 -10.503 8.000 21.391 60 2HZ LYS 25 2HZ LYS 25 -8.958 7.554 21.679 61 3HZ LYS 25 3HZ LYS 25 -9.579 8.870 22.419 62 H PHE 26 H PHE 26 -6.429 14.380 19.477 63 HA PHE 26 HA PHE 26 -7.906 15.606 21.696 64 2HB PHE 26 2HB PHE 26 -7.563 17.660 20.071 65 HD1 PHE 26 1HD PHE 26 -4.241 16.943 19.631 66 HD2 PHE 26 2HD PHE 26 -7.040 17.551 22.762 67 HE1 PHE 26 1HE PHE 26 -2.372 17.591 21.177 68 HE2 PHE 26 2HE PHE 26 -5.172 18.200 24.307 69 HZ PHE 26 HZ PHE 26 -2.860 18.213 23.496 70 H GLU 27 H GLU 27 -9.788 17.063 20.891 71 HA GLU 27 HA GLU 27 -11.038 15.847 18.568 72 2HB GLU 27 2HB GLU 27 -12.054 14.678 20.419 73 2HG GLU 27 2HG GLU 27 -11.898 17.363 21.704 74 H ARG 28 H ARG 28 -11.946 17.346 17.190 75 HA ARG 28 HA ARG 28 -12.282 19.317 16.337 76 2HB ARG 28 2HB ARG 28 -13.836 20.819 17.942 77 2HG ARG 28 2HG ARG 28 -14.698 18.064 16.941 78 2HD ARG 28 2HD ARG 28 -16.551 20.369 16.754 79 HE ARG 28 HE ARG 28 -16.728 17.532 16.960 80 1HH1 ARG 28 2HH2 ARG 28 -18.382 20.396 18.161 81 2HH1 ARG 28 1HH2 ARG 28 -19.913 19.601 18.321 82 1HH2 ARG 28 2HH1 ARG 28 -18.747 16.482 17.171 83 2HH2 ARG 28 1HH1 ARG 28 -20.121 17.361 17.754 84 H GLN 29 H GLN 29 -9.947 19.917 16.509 85 HA GLN 29 HA GLN 29 -9.573 22.012 18.506 86 2HB GLN 29 2HB GLN 29 -7.536 20.070 17.336 87 2HG GLN 29 2HG GLN 29 -7.223 22.643 18.899 88 1HE2 GLN 29 1HE2 GLN 29 -5.874 22.850 20.527 89 2HE2 GLN 29 2HE2 GLN 29 -4.805 21.638 21.152 90 H HIS 30 H HIS 30 -8.801 20.845 15.173 91 HA HIS 30 HA HIS 30 -7.569 23.225 14.360 92 2HB HIS 30 2HB HIS 30 -7.193 21.134 13.210 93 HD1 HIS 30 1HD HIS 30 -8.258 19.744 10.930 94 HD2 HIS 30 2HD HIS 30 -10.856 21.098 13.933 95 HE1 HIS 30 1HE HIS 30 -10.395 18.370 10.699 96 H MET 31 H MET 31 -8.810 24.074 12.023 97 HA MET 31 HA MET 31 -11.547 24.508 12.347 98 2HB MET 31 2HB MET 31 -10.668 27.210 12.566 99 2HG MET 31 2HG MET 31 -12.095 25.237 14.347 100 1HE MET 31 1HE MET 31 -11.489 29.516 15.538 101 2HE MET 31 2HE MET 31 -12.441 28.776 14.229 102 3HE MET 31 3HE MET 31 -13.092 28.825 15.885 103 H ASP 32 H ASP 32 -9.601 23.699 10.313 104 HA ASP 32 HA ASP 32 -10.307 25.709 8.356 105 2HB ASP 32 2HB ASP 32 -7.746 24.688 7.600 106 H SER 33 H SER 33 -11.114 22.874 9.252 107 HA SER 33 HA SER 33 -10.945 21.719 6.618 108 2HB SER 33 2HB SER 33 -10.162 19.561 7.368 109 HG SER 33 HG SER 33 -8.574 21.571 8.724 110 HA PRO 34 HA PRO 34 -15.007 20.576 7.681 111 2HB PRO 34 2HB PRO 34 -15.560 20.150 5.487 112 2HG PRO 34 2HG PRO 34 -13.769 19.651 4.122 113 2HD PRO 34 2HD PRO 34 -12.071 20.673 5.286 114 H ASP 35 H ASP 35 -16.352 18.138 7.705 115 HA ASP 35 HA ASP 35 -16.065 17.350 10.206 116 2HB ASP 35 2HB ASP 35 -17.106 15.238 9.585 117 H LEU 36 H LEU 36 -14.671 15.970 11.426 118 HA LEU 36 HA LEU 36 -12.259 15.126 10.011 119 2HB LEU 36 2HB LEU 36 -12.846 15.571 12.939 120 HG LEU 36 HG LEU 36 -10.949 13.835 12.187 121 1HD1 LEU 36 1HD1 LEU 36 -10.004 16.333 11.145 122 2HD1 LEU 36 2HD1 LEU 36 -8.920 15.792 12.449 123 3HD1 LEU 36 3HD1 LEU 36 -9.254 14.721 11.068 124 1HD2 LEU 36 1HD2 LEU 36 -11.375 15.617 14.441 125 2HD2 LEU 36 2HD2 LEU 36 -10.847 13.919 14.406 126 3HD2 LEU 36 3HD2 LEU 36 -9.653 15.226 14.222 127 H GLY 37 H GLY 37 -14.054 13.471 9.128 128 1HA GLY 37 1HA GLY 37 -14.744 11.332 10.888 129 2HA GLY 37 2HA GLY 37 -14.907 11.378 9.144 130 H THR 38 H THR 38 -12.578 10.843 11.836 131 HA THR 38 HA THR 38 -10.593 9.808 11.899 132 HB THR 38 HB THR 38 -12.256 7.934 11.746 133 HG1 THR 38 1HG THR 38 -9.946 7.485 11.861 134 1HG2 THR 38 1HG2 THR 38 -13.241 8.134 9.551 135 2HG2 THR 38 2HG2 THR 38 -11.645 8.246 8.770 136 3HG2 THR 38 3HG2 THR 38 -12.191 6.699 9.461 137 H THR 39 H THR 39 -8.971 8.398 10.225 138 HA THR 39 HA THR 39 -8.133 10.517 8.422 139 HB THR 39 HB THR 39 -6.901 7.978 9.579 140 HG1 THR 39 1HG THR 39 -6.936 9.993 10.813 141 1HG2 THR 39 1HG2 THR 39 -4.802 8.626 8.415 142 2HG2 THR 39 2HG2 THR 39 -6.062 8.233 7.221 143 3HG2 THR 39 3HG2 THR 39 -5.665 9.933 7.568 144 H LEU 40 H LEU 40 -9.541 10.514 6.682 145 HA LEU 40 HA LEU 40 -10.630 8.388 5.418 146 2HB LEU 40 2HB LEU 40 -11.117 10.726 4.940 147 HG LEU 40 HG LEU 40 -8.355 10.758 3.822 148 1HD1 LEU 40 1HD1 LEU 40 -10.623 12.287 2.517 149 2HD1 LEU 40 2HD1 LEU 40 -8.889 12.427 2.141 150 3HD1 LEU 40 3HD1 LEU 40 -9.753 10.909 1.802 151 1HD2 LEU 40 1HD2 LEU 40 -8.236 12.312 5.407 152 2HD2 LEU 40 2HD2 LEU 40 -9.253 13.343 4.372 153 3HD2 LEU 40 3HD2 LEU 40 -10.002 12.323 5.626 154 H LEU 41 H LEU 41 -10.071 7.053 3.596 155 HA LEU 41 HA LEU 41 -7.198 6.539 3.520 156 2HB LEU 41 2HB LEU 41 -8.319 4.606 4.113 157 HG LEU 41 HG LEU 41 -10.478 5.502 2.297 158 1HD1 LEU 41 1HD1 LEU 41 -10.261 2.537 2.637 159 2HD1 LEU 41 2HD1 LEU 41 -11.130 3.491 1.412 160 3HD1 LEU 41 3HD1 LEU 41 -9.360 3.328 1.322 161 1HD2 LEU 41 1HD2 LEU 41 -10.465 5.317 4.870 162 2HD2 LEU 41 2HD2 LEU 41 -11.890 4.732 3.980 163 3HD2 LEU 41 3HD2 LEU 41 -10.689 3.572 4.598 164 H GLU 42 H GLU 42 -9.054 8.672 2.050 165 HA GLU 42 HA GLU 42 -7.958 8.041 -0.580 166 2HB GLU 42 2HB GLU 42 -10.253 9.939 -0.432 167 2HG GLU 42 2HG GLU 42 -9.287 7.674 -2.201 168 H GLN 43 H GLN 43 -6.781 9.505 1.798 169 HA GLN 43 HA GLN 43 -6.874 12.140 1.767 170 2HB GLN 43 2HB GLN 43 -4.108 10.969 1.638 171 2HG GLN 43 2HG GLN 43 -4.663 13.323 2.459 172 1HE2 GLN 43 1HE2 GLN 43 -4.967 11.159 5.237 173 2HE2 GLN 43 2HE2 GLN 43 -6.393 11.863 5.925 174 H TYR 44 H TYR 44 -4.324 10.490 -0.237 175 HA TYR 44 HA TYR 44 -4.397 12.779 -2.040 176 2HB TYR 44 2HB TYR 44 -2.284 11.590 -2.859 177 HD1 TYR 44 1HD TYR 44 -1.711 13.861 -1.897 178 HD2 TYR 44 2HD TYR 44 -2.001 10.348 0.528 179 HE1 TYR 44 1HE TYR 44 -0.390 15.014 -0.056 180 HE2 TYR 44 2HE TYR 44 -0.679 11.513 2.361 181 HH TYR 44 HH TYR 44 1.145 13.548 2.246 182 H CYS 45 H CYS 45 -4.014 12.181 -4.461 183 HA CYS 45 HA CYS 45 -4.781 11.303 -6.319 184 2HB CYS 45 2HB CYS 45 -4.764 9.040 -6.628 185 H HIS 46 H HIS 46 -6.741 11.776 -7.283 186 HA HIS 46 HA HIS 46 -9.173 10.775 -6.301 187 2HB HIS 46 2HB HIS 46 -8.953 13.759 -5.939 188 HD1 HIS 46 1HD HIS 46 -10.761 14.322 -3.825 189 HD2 HIS 46 2HD HIS 46 -11.415 10.927 -6.199 190 HE1 HIS 46 1HE HIS 46 -13.214 13.693 -3.512 191 H ARG 47 H ARG 47 -10.190 10.381 -8.196 192 HA ARG 47 HA ARG 47 -9.702 12.301 -10.324 193 2HB ARG 47 2HB ARG 47 -8.972 9.977 -10.824 194 2HG ARG 47 2HG ARG 47 -11.905 9.319 -10.291 195 2HD ARG 47 2HD ARG 47 -11.286 6.998 -10.979 196 HE ARG 47 HE ARG 47 -11.774 9.092 -12.756 197 1HH1 ARG 47 2HH2 ARG 47 -9.958 6.080 -12.893 198 2HH1 ARG 47 1HH2 ARG 47 -10.183 5.874 -14.598 199 1HH2 ARG 47 2HH1 ARG 47 -12.071 8.819 -15.006 200 2HH2 ARG 47 1HH1 ARG 47 -11.392 7.442 -15.808 201 H THR 48 H THR 48 -11.896 11.693 -7.952 202 HA THR 48 HA THR 48 -14.109 11.883 -7.686 203 HB THR 48 HB THR 48 -13.405 14.221 -8.182 204 HG1 THR 48 1HG THR 48 -15.584 14.685 -8.334 205 1HG2 THR 48 1HG2 THR 48 -14.021 15.076 -10.527 206 2HG2 THR 48 2HG2 THR 48 -12.537 14.095 -10.457 207 3HG2 THR 48 3HG2 THR 48 -14.053 13.375 -11.049 208 H THR 49 H THR 49 -13.671 9.575 -8.998 209 HA THR 49 HA THR 49 -14.419 8.167 -10.602 210 HB THR 49 HB THR 49 -16.811 7.801 -10.280 211 HG1 THR 49 1HG THR 49 -18.013 9.657 -10.275 212 1HG2 THR 49 1HG2 THR 49 -16.845 7.596 -7.976 213 2HG2 THR 49 2HG2 THR 49 -15.138 8.082 -8.100 214 3HG2 THR 49 3HG2 THR 49 -16.383 9.297 -7.728 215 H ILE 50 H ILE 50 -16.863 8.426 -12.213 216 HA ILE 50 HA ILE 50 -15.637 9.925 -14.357 217 HB ILE 50 HB ILE 50 -17.846 7.924 -14.105 218 2HG1 ILE 50 2HG1 ILE 50 -16.491 6.894 -15.996 219 1HG2 ILE 50 1HG2 ILE 50 -19.030 9.237 -15.546 220 2HG2 ILE 50 2HG2 ILE 50 -17.577 10.017 -16.217 221 3HG2 ILE 50 3HG2 ILE 50 -18.010 8.363 -16.715 222 1HD1 ILE 50 1HD1 ILE 50 -14.417 7.743 -16.585 223 2HD1 ILE 50 2HD1 ILE 50 -15.245 9.275 -16.221 224 3HD1 ILE 50 3HD1 ILE 50 -14.175 8.531 -15.008 225 H GLY 51 H GLY 51 -18.966 9.761 -12.896 226 1HA GLY 51 1HA GLY 51 -19.138 12.568 -12.550 227 2HA GLY 51 2HA GLY 51 -19.925 12.099 -14.043 228 H ASN 52 H ASN 52 -21.771 13.079 -12.568 229 HA ASN 52 HA ASN 52 -23.521 12.820 -11.293 230 2HB ASN 52 2HB ASN 52 -24.729 10.539 -11.615 231 1HD2 ASN 52 1HD2 ASN 52 -26.293 11.719 -12.482 232 2HD2 ASN 52 2HD2 ASN 52 -26.290 12.420 -14.066 233 H PHE 53 H PHE 53 -20.845 12.098 -10.075 234 HA PHE 53 HA PHE 53 -19.943 11.050 -8.340 235 2HB PHE 53 2HB PHE 53 -21.486 11.129 -6.310 236 HD1 PHE 53 1HD PHE 53 -23.526 13.450 -6.411 237 HD2 PHE 53 2HD PHE 53 -19.605 12.983 -7.966 238 HE1 PHE 53 1HE PHE 53 -23.187 15.935 -6.303 239 HE2 PHE 53 2HE PHE 53 -19.267 15.468 -7.858 240 HZ PHE 53 HZ PHE 53 -21.062 16.914 -7.028 241 H SER 54 H SER 54 -19.435 8.961 -9.101 242 HA SER 54 HA SER 54 -19.422 6.783 -8.744 243 2HB SER 54 2HB SER 54 -22.288 6.631 -7.817 244 HG SER 54 HG SER 54 -20.878 5.300 -6.154 245 H GLY 55 H GLY 55 -19.837 7.852 -11.214 246 1HA GLY 55 1HA GLY 55 -22.211 7.184 -12.541 247 2HA GLY 55 2HA GLY 55 -20.637 7.436 -13.272 248 HA PRO 56 HA PRO 56 -21.167 3.126 -14.094 249 2HB PRO 56 2HB PRO 56 -21.133 3.407 -16.379 250 2HG PRO 56 2HG PRO 56 -20.400 5.478 -17.084 251 2HD PRO 56 2HD PRO 56 -20.870 6.735 -15.217 252 H TYR 57 H TYR 57 -17.867 3.846 -15.024 253 HA TYR 57 HA TYR 57 -15.977 2.860 -14.371 254 2HB TYR 57 2HB TYR 57 -17.149 4.436 -12.356 255 HD1 TYR 57 1HD TYR 57 -18.842 3.437 -10.927 256 HD2 TYR 57 2HD TYR 57 -14.842 1.918 -10.962 257 HE1 TYR 57 1HE TYR 57 -19.314 2.123 -8.803 258 HE2 TYR 57 2HE TYR 57 -15.328 0.610 -8.838 259 HH TYR 57 HH TYR 57 -16.808 0.665 -6.991 260 H THR 58 H THR 58 -14.974 1.163 -12.648 261 HA THR 58 HA THR 58 -16.306 -0.804 -11.433 262 HB THR 58 HB THR 58 -16.790 -0.901 -14.367 263 HG1 THR 58 1HG THR 58 -18.421 -0.844 -12.655 264 1HG2 THR 58 1HG2 THR 58 -15.142 -2.801 -14.131 265 2HG2 THR 58 2HG2 THR 58 -16.126 -3.448 -12.797 266 3HG2 THR 58 3HG2 THR 58 -16.795 -3.378 -14.445 267 H TYR 59 H TYR 59 -13.716 0.267 -13.514 268 HA TYR 59 HA TYR 59 -12.054 -2.012 -13.049 269 2HB TYR 59 2HB TYR 59 -11.711 -0.637 -15.034 270 HD1 TYR 59 1HD TYR 59 -10.331 1.909 -12.729 271 HD2 TYR 59 2HD TYR 59 -13.383 1.007 -15.588 272 HE1 TYR 59 1HE TYR 59 -10.968 4.369 -12.838 273 HE2 TYR 59 2HE TYR 59 -14.009 3.469 -15.687 274 HH TYR 59 HH TYR 59 -13.713 5.435 -14.812 275 H CYS 60 H CYS 60 -9.743 -1.571 -12.101 276 HA CYS 60 HA CYS 60 -9.810 -1.391 -9.473 277 2HB CYS 60 2HB CYS 60 -7.486 -0.860 -9.454 278 H ASN 61 H ASN 61 -10.067 0.177 -7.864 279 HA ASN 61 HA ASN 61 -10.699 2.821 -8.865 280 2HB ASN 61 2HB ASN 61 -11.096 1.997 -5.977 281 1HD2 ASN 61 1HD2 ASN 61 -11.506 3.959 -5.239 282 2HD2 ASN 61 2HD2 ASN 61 -12.682 5.068 -5.862 283 H THR 62 H THR 62 -10.247 4.410 -6.608 284 HA THR 62 HA THR 62 -7.335 4.233 -6.334 285 HB THR 62 HB THR 62 -8.432 6.304 -7.301 286 HG1 THR 62 1HG THR 62 -7.240 7.660 -5.683 287 1HG2 THR 62 1HG2 THR 62 -9.513 6.525 -4.442 288 2HG2 THR 62 2HG2 THR 62 -9.518 7.845 -5.637 289 3HG2 THR 62 3HG2 THR 62 -10.498 6.386 -5.918 290 H THR 63 H THR 63 -6.291 3.975 -4.416 291 HA THR 63 HA THR 63 -7.427 4.468 -1.918 292 HB THR 63 HB THR 63 -8.776 2.382 -2.931 293 HG1 THR 63 1HG THR 63 -8.765 3.351 -0.711 294 1HG2 THR 63 1HG2 THR 63 -7.815 0.258 -2.473 295 2HG2 THR 63 2HG2 THR 63 -6.448 1.139 -3.196 296 3HG2 THR 63 3HG2 THR 63 -6.553 0.954 -1.428 297 H LEU 64 H LEU 64 -6.023 3.749 -0.130 298 HA LEU 64 HA LEU 64 -3.312 3.296 -1.162 299 2HB LEU 64 2HB LEU 64 -3.465 5.456 -0.213 300 HG LEU 64 HG LEU 64 -5.386 4.444 1.569 301 1HD1 LEU 64 1HD1 LEU 64 -3.916 3.686 3.206 302 2HD1 LEU 64 2HD1 LEU 64 -2.781 5.035 2.957 303 3HD1 LEU 64 3HD1 LEU 64 -4.344 5.323 3.759 304 1HD2 LEU 64 1HD2 LEU 64 -4.018 7.146 1.650 305 2HD2 LEU 64 2HD2 LEU 64 -5.286 6.682 0.491 306 3HD2 LEU 64 3HD2 LEU 64 -5.652 6.742 2.231 307 H ASP 65 H ASP 65 -1.879 2.327 0.783 308 HA ASP 65 HA ASP 65 -3.453 0.098 1.815 309 2HB ASP 65 2HB ASP 65 -0.479 -0.136 1.376 310 H GLN 66 H GLN 66 -1.185 -0.969 3.370 311 HA GLN 66 HA GLN 66 -1.291 0.916 5.523 312 2HB GLN 66 2HB GLN 66 0.264 -1.170 6.435 313 2HG GLN 66 2HG GLN 66 -2.772 -1.330 6.207 314 1HE2 GLN 66 1HE2 GLN 66 -2.182 -0.952 9.268 315 2HE2 GLN 66 2HE2 GLN 66 -1.855 -2.559 9.821 316 H ILE 67 H ILE 67 0.572 0.731 2.815 317 HA ILE 67 HA ILE 67 2.990 1.576 4.255 318 HB ILE 67 HB ILE 67 3.860 0.980 1.755 319 2HG1 ILE 67 2HG1 ILE 67 1.529 0.086 1.251 320 1HG2 ILE 67 1HG2 ILE 67 4.144 -0.008 4.402 321 2HG2 ILE 67 2HG2 ILE 67 4.008 -1.411 3.317 322 3HG2 ILE 67 3HG2 ILE 67 5.259 -0.178 3.024 323 1HD1 ILE 67 1HD1 ILE 67 2.853 -0.834 -0.358 324 2HD1 ILE 67 2HD1 ILE 67 4.168 -1.160 0.794 325 3HD1 ILE 67 3HD1 ILE 67 2.816 -2.306 0.641 326 H GLY 68 H GLY 68 0.757 3.311 3.869 327 1HA GLY 68 1HA GLY 68 0.092 5.204 2.789 328 2HA GLY 68 2HA GLY 68 1.768 5.629 3.071 329 H THR 69 H THR 69 0.203 3.255 0.803 330 HA THR 69 HA THR 69 1.593 4.656 -1.386 331 HB THR 69 HB THR 69 1.206 2.152 -2.358 332 HG1 THR 69 1HG THR 69 1.595 1.931 0.539 333 1HG2 THR 69 1HG2 THR 69 3.486 2.230 -2.240 334 2HG2 THR 69 2HG2 THR 69 3.400 3.504 -1.001 335 3HG2 THR 69 3HG2 THR 69 3.374 1.791 -0.518 336 H CYS 70 H CYS 70 -0.126 6.144 -1.719 337 HA CYS 70 HA CYS 70 -2.758 5.195 -2.123 338 2HB CYS 70 2HB CYS 70 -1.467 7.828 -2.872 339 H TRP 71 H TRP 71 -3.461 4.084 -3.913 340 HA TRP 71 HA TRP 71 -1.918 4.447 -6.389 341 2HB TRP 71 2HB TRP 71 -2.560 2.223 -7.009 342 HD1 TRP 71 HD TRP 71 -2.508 1.146 -3.402 343 HE1 TRP 71 1HE TRP 71 -0.106 0.403 -2.601 344 HE3 TRP 71 3HE TRP 71 -0.026 2.942 -7.460 345 HZ2 TRP 71 2HZ TRP 71 2.505 0.645 -3.729 346 HZ3 TRP 71 3HZ TRP 71 2.449 2.648 -7.532 347 HH2 TRP 71 HH TRP 71 3.712 1.545 -5.753 348 HA PRO 72 HA PRO 72 -5.676 6.293 -7.697 349 2HB PRO 72 2HB PRO 72 -4.574 8.043 -8.707 350 2HG PRO 72 2HG PRO 72 -2.322 7.689 -9.059 351 2HD PRO 72 2HD PRO 72 -1.899 6.112 -7.440 352 H GLN 73 H GLN 73 -7.468 5.961 -9.106 353 HA GLN 73 HA GLN 73 -8.082 3.442 -9.550 354 2HB GLN 73 2HB GLN 73 -9.596 4.248 -11.408 355 2HG GLN 73 2HG GLN 73 -9.926 6.492 -9.566 356 1HE2 GLN 73 1HE2 GLN 73 -11.995 6.402 -8.586 357 2HE2 GLN 73 2HE2 GLN 73 -13.248 5.380 -9.204 358 H SER 74 H SER 74 -8.063 1.923 -11.365 359 HA SER 74 HA SER 74 -6.390 2.543 -13.581 360 2HB SER 74 2HB SER 74 -4.599 1.064 -13.185 361 HG SER 74 HG SER 74 -4.008 2.548 -11.709 362 H ALA 75 H ALA 75 -6.174 0.401 -15.005 363 HA ALA 75 HA ALA 75 -8.838 -0.633 -15.224 364 1HB ALA 75 1HB ALA 75 -6.378 -0.458 -16.837 365 2HB ALA 75 2HB ALA 75 -7.247 -1.998 -17.036 366 3HB ALA 75 3HB ALA 75 -8.082 -0.458 -17.349 367 HA PRO 76 HA PRO 76 -8.179 -4.362 -13.138 368 2HB PRO 76 2HB PRO 76 -10.427 -4.860 -13.147 369 2HG PRO 76 2HG PRO 76 -11.636 -3.825 -14.817 370 2HD PRO 76 2HD PRO 76 -10.289 -2.008 -15.230 371 H GLY 77 H GLY 77 -7.090 -6.349 -13.049 372 1HA GLY 77 1HA GLY 77 -5.754 -7.976 -13.862 373 2HA GLY 77 2HA GLY 77 -6.373 -7.664 -15.471 374 H ALA 78 H ALA 78 -5.096 -4.920 -13.670 375 HA ALA 78 HA ALA 78 -2.898 -4.782 -15.574 376 1HB ALA 78 1HB ALA 78 -4.573 -2.884 -15.032 377 2HB ALA 78 2HB ALA 78 -3.674 -2.708 -13.506 378 3HB ALA 78 3HB ALA 78 -2.841 -2.473 -15.061 379 H LEU 79 H LEU 79 -1.154 -3.164 -13.936 380 HA LEU 79 HA LEU 79 -0.571 -4.528 -11.525 381 2HB LEU 79 2HB LEU 79 1.776 -5.208 -12.611 382 HG LEU 79 HG LEU 79 -0.532 -6.680 -11.808 383 1HD1 LEU 79 1HD1 LEU 79 -1.139 -7.630 -13.764 384 2HD1 LEU 79 2HD1 LEU 79 0.445 -7.351 -14.525 385 3HD1 LEU 79 3HD1 LEU 79 0.224 -8.716 -13.404 386 1HD2 LEU 79 1HD2 LEU 79 1.173 -8.443 -11.345 387 2HD2 LEU 79 2HD2 LEU 79 2.382 -7.423 -12.160 388 3HD2 LEU 79 3HD2 LEU 79 1.578 -6.841 -10.682 389 H VAL 80 H VAL 80 -0.143 -2.713 -10.380 390 HA VAL 80 HA VAL 80 1.232 -0.531 -11.689 391 HB VAL 80 HB VAL 80 -0.060 -0.925 -8.991 392 1HG1 VAL 80 1HG1 VAL 80 1.824 1.181 -9.910 393 2HG1 VAL 80 2HG1 VAL 80 0.354 1.746 -9.081 394 3HG1 VAL 80 3HG1 VAL 80 1.453 0.605 -8.267 395 1HG2 VAL 80 1HG2 VAL 80 -0.771 0.988 -11.235 396 2HG2 VAL 80 2HG2 VAL 80 -1.496 -0.626 -11.041 397 3HG2 VAL 80 3HG2 VAL 80 -1.722 0.609 -9.779 398 H GLU 81 H GLU 81 2.986 -2.532 -11.840 399 HA GLU 81 HA GLU 81 4.536 -2.729 -9.466 400 2HB GLU 81 2HB GLU 81 5.973 -4.188 -10.762 401 2HG GLU 81 2HG GLU 81 3.003 -4.394 -11.239 402 H ARG 82 H ARG 82 6.678 -1.877 -9.119 403 HA ARG 82 HA ARG 82 7.797 -0.169 -11.074 404 2HB ARG 82 2HB ARG 82 7.770 1.890 -9.574 405 2HG ARG 82 2HG ARG 82 4.960 0.914 -10.253 406 2HD ARG 82 2HD ARG 82 5.863 3.681 -10.878 407 HE ARG 82 HE ARG 82 3.477 3.279 -9.278 408 1HH1 ARG 82 2HH2 ARG 82 4.782 2.858 -12.519 409 2HH1 ARG 82 1HH2 ARG 82 3.232 2.932 -13.290 410 1HH2 ARG 82 2HH1 ARG 82 1.432 3.376 -10.295 411 2HH2 ARG 82 1HH1 ARG 82 1.315 3.229 -12.017 412 HA PRO 83 HA PRO 83 11.064 -1.684 -8.540 413 2HB PRO 83 2HB PRO 83 12.239 -2.464 -10.361 414 2HG PRO 83 2HG PRO 83 11.557 -1.603 -12.389 415 2HD PRO 83 2HD PRO 83 9.391 -1.022 -11.877 416 H CYS 84 H CYS 84 12.919 -0.973 -7.268 417 HA CYS 84 HA CYS 84 12.355 1.451 -6.086 418 2HB CYS 84 2HB CYS 84 14.233 1.119 -4.770 419 HA PRO 85 HA PRO 85 14.239 4.278 -8.816 420 2HB PRO 85 2HB PRO 85 13.084 6.048 -7.903 421 2HG PRO 85 2HG PRO 85 12.324 5.697 -5.754 422 2HD PRO 85 2HD PRO 85 12.226 3.400 -5.726 423 H GLU 86 H GLU 86 16.163 5.949 -8.993 424 HA GLU 86 HA GLU 86 18.410 4.284 -8.494 425 2HB GLU 86 2HB GLU 86 17.969 5.829 -10.536 426 2HG GLU 86 2HG GLU 86 19.385 7.868 -8.779 427 H TYR 87 H TYR 87 19.786 4.350 -6.758 428 HA TYR 87 HA TYR 87 20.419 6.738 -5.407 429 2HB TYR 87 2HB TYR 87 18.943 4.784 -3.632 430 HD1 TYR 87 1HD TYR 87 17.584 8.083 -4.468 431 HD2 TYR 87 2HD TYR 87 20.167 5.929 -1.824 432 HE1 TYR 87 1HE TYR 87 17.584 10.049 -2.856 433 HE2 TYR 87 2HE TYR 87 20.159 7.902 -0.221 434 HH TYR 87 HH TYR 87 18.026 10.099 -0.082 435 H PHE 88 H PHE 88 19.958 3.164 -4.949 436 HA PHE 88 HA PHE 88 22.590 3.097 -3.686 437 2HB PHE 88 2HB PHE 88 20.647 2.029 -2.532 438 HD1 PHE 88 1HD PHE 88 21.283 -0.510 -5.155 439 HD2 PHE 88 2HD PHE 88 18.418 2.002 -3.288 440 HE1 PHE 88 1HE PHE 88 19.445 -1.691 -6.388 441 HE2 PHE 88 2HE PHE 88 16.578 0.820 -4.522 442 HZ PHE 88 HZ PHE 88 17.114 -1.012 -6.057 443 H ASN 89 H ASN 89 20.663 1.758 -6.422 444 HA ASN 89 HA ASN 89 22.927 0.230 -7.285 445 2HB ASN 89 2HB ASN 89 20.804 -0.835 -7.668 446 1HD2 ASN 89 1HD2 ASN 89 18.658 -0.841 -8.288 447 2HD2 ASN 89 2HD2 ASN 89 17.718 0.601 -8.477 448 H GLY 90 H GLY 90 23.657 0.496 -9.673 449 1HA GLY 90 1HA GLY 90 24.038 3.332 -10.225 450 2HA GLY 90 2HA GLY 90 24.873 1.975 -10.957 451 H ILE 91 H ILE 91 21.315 2.570 -10.585 452 HA ILE 91 HA ILE 91 21.126 2.331 -13.502 453 HB ILE 91 HB ILE 91 20.012 0.675 -11.835 454 2HG1 ILE 91 2HG1 ILE 91 19.561 1.393 -14.460 455 1HG2 ILE 91 1HG2 ILE 91 17.759 2.661 -11.894 456 2HG2 ILE 91 2HG2 ILE 91 18.002 1.245 -10.844 457 3HG2 ILE 91 3HG2 ILE 91 18.974 2.715 -10.595 458 1HD1 ILE 91 1HD1 ILE 91 19.608 -0.885 -14.236 459 2HD1 ILE 91 2HD1 ILE 91 18.844 -0.838 -12.629 460 3HD1 ILE 91 3HD1 ILE 91 17.841 -0.724 -14.095 461 H LYS 92 H LYS 92 18.604 3.426 -13.915 462 HA LYS 92 HA LYS 92 18.702 6.086 -12.738 463 2HB LYS 92 2HB LYS 92 18.224 6.484 -15.502 464 2HG LYS 92 2HG LYS 92 20.883 7.278 -14.787 465 2HD LYS 92 2HD LYS 92 18.517 9.080 -14.312 466 2HE LYS 92 2HE LYS 92 21.197 9.543 -14.600 467 1HZ LYS 92 1HZ LYS 92 20.739 8.757 -17.007 468 2HZ LYS 92 2HZ LYS 92 20.180 10.277 -17.215 469 3HZ LYS 92 3HZ LYS 92 21.722 10.032 -16.734 470 H TYR 93 H TYR 93 16.878 4.699 -11.693 471 HA TYR 93 HA TYR 93 14.568 4.366 -13.392 472 2HB TYR 93 2HB TYR 93 13.723 3.874 -10.862 473 HD1 TYR 93 1HD TYR 93 13.664 2.508 -13.482 474 HD2 TYR 93 2HD TYR 93 16.053 1.722 -10.021 475 HE1 TYR 93 1HE TYR 93 13.887 0.074 -14.180 476 HE2 TYR 93 2HE TYR 93 16.269 -0.711 -10.731 477 HH TYR 93 HH TYR 93 15.870 -2.173 -12.277 478 H ASN 94 H ASN 94 12.605 5.524 -13.241 479 HA ASN 94 HA ASN 94 12.954 8.112 -11.970 480 2HB ASN 94 2HB ASN 94 10.921 8.711 -13.460 481 1HD2 ASN 94 1HD2 ASN 94 13.574 6.635 -14.636 482 2HD2 ASN 94 2HD2 ASN 94 14.388 7.836 -15.582 483 H THR 95 H THR 95 11.120 5.091 -12.020 484 HA THR 95 HA THR 95 8.691 5.671 -11.008 485 HB THR 95 HB THR 95 9.116 3.427 -9.689 486 HG1 THR 95 1HG THR 95 11.455 3.765 -9.629 487 1HG2 THR 95 1HG2 THR 95 8.741 2.208 -11.637 488 2HG2 THR 95 2HG2 THR 95 8.433 3.830 -12.303 489 3HG2 THR 95 3HG2 THR 95 10.022 3.060 -12.532 490 H THR 96 H THR 96 7.759 6.500 -9.222 491 HA THR 96 HA THR 96 9.133 8.096 -7.492 492 HB THR 96 HB THR 96 7.045 8.013 -6.162 493 HG1 THR 96 1HG THR 96 6.543 5.705 -7.905 494 1HG2 THR 96 1HG2 THR 96 5.934 9.050 -7.866 495 2HG2 THR 96 2HG2 THR 96 7.069 8.336 -9.036 496 3HG2 THR 96 3HG2 THR 96 5.585 7.461 -8.588 497 H ARG 97 H ARG 97 7.978 4.748 -6.683 498 HA ARG 97 HA ARG 97 10.420 4.408 -5.217 499 2HB ARG 97 2HB ARG 97 9.030 5.343 -3.454 500 2HG ARG 97 2HG ARG 97 6.927 3.213 -3.736 501 2HD ARG 97 2HD ARG 97 7.305 5.404 -2.067 502 HE ARG 97 HE ARG 97 6.294 6.566 -4.397 503 1HH1 ARG 97 2HH2 ARG 97 5.147 6.173 -1.094 504 2HH1 ARG 97 1HH2 ARG 97 4.197 7.622 -1.117 505 1HH2 ARG 97 2HH1 ARG 97 5.041 8.477 -4.428 506 2HH2 ARG 97 1HH1 ARG 97 4.137 8.940 -3.026 507 H ASN 98 H ASN 98 10.391 2.018 -4.219 508 HA ASN 98 HA ASN 98 9.989 0.302 -6.336 509 2HB ASN 98 2HB ASN 98 11.517 0.014 -4.269 510 1HD2 ASN 98 1HD2 ASN 98 11.194 0.747 -2.275 511 2HD2 ASN 98 2HD2 ASN 98 10.075 0.102 -1.121 512 H ALA 99 H ALA 99 8.509 -1.719 -6.261 513 HA ALA 99 HA ALA 99 6.368 -2.009 -4.577 514 1HB ALA 99 1HB ALA 99 5.051 -0.858 -6.927 515 2HB ALA 99 2HB ALA 99 4.755 -0.560 -5.197 516 3HB ALA 99 3HB ALA 99 6.031 0.342 -6.049 517 H TYR 100 H TYR 100 4.413 -3.141 -6.040 518 HA TYR 100 HA TYR 100 4.914 -4.347 -8.410 519 2HB TYR 100 2HB TYR 100 5.610 -6.575 -6.668 520 HD1 TYR 100 1HD TYR 100 8.744 -5.331 -7.263 521 HD2 TYR 100 2HD TYR 100 5.330 -6.713 -9.440 522 HE1 TYR 100 1HE TYR 100 10.228 -5.891 -9.250 523 HE2 TYR 100 2HE TYR 100 6.825 -7.268 -11.419 524 HH TYR 100 HH TYR 100 10.059 -6.177 -11.596 525 H ARG 101 H ARG 101 2.598 -3.554 -7.494 526 HA ARG 101 HA ARG 101 1.341 -5.774 -6.146 527 2HB ARG 101 2HB ARG 101 -0.339 -3.453 -6.963 528 2HG ARG 101 2HG ARG 101 0.152 -4.135 -4.099 529 2HD ARG 101 2HD ARG 101 -2.524 -4.354 -5.443 530 HE ARG 101 HE ARG 101 -1.782 -4.159 -2.833 531 1HH1 ARG 101 2HH2 ARG 101 -3.418 -1.857 -4.934 532 2HH1 ARG 101 1HH2 ARG 101 -4.294 -1.105 -3.642 533 1HH2 ARG 101 2HH1 ARG 101 -2.938 -3.166 -1.128 534 2HH2 ARG 101 1HH1 ARG 101 -4.019 -1.855 -1.463 535 H GLU 102 H GLU 102 -1.041 -6.252 -7.028 536 HA GLU 102 HA GLU 102 -0.973 -6.158 -9.936 537 2HB GLU 102 2HB GLU 102 -0.241 -8.391 -9.432 538 2HG GLU 102 2HG GLU 102 -2.687 -8.928 -7.733 539 H CYS 103 H CYS 103 -3.128 -6.304 -10.958 540 HA CYS 103 HA CYS 103 -5.234 -5.561 -9.058 541 2HB CYS 103 2HB CYS 103 -5.729 -4.689 -11.777 542 H LEU 104 H LEU 104 -7.046 -6.882 -9.088 543 HA LEU 104 HA LEU 104 -6.971 -9.222 -10.683 544 2HB LEU 104 2HB LEU 104 -9.491 -9.101 -9.607 545 HG LEU 104 HG LEU 104 -7.010 -9.942 -8.082 546 1HD1 LEU 104 1HD1 LEU 104 -8.437 -10.305 -6.414 547 2HD1 LEU 104 2HD1 LEU 104 -9.850 -9.994 -7.451 548 3HD1 LEU 104 3HD1 LEU 104 -9.122 -11.617 -7.405 549 1HD2 LEU 104 1HD2 LEU 104 -6.759 -11.660 -9.460 550 2HD2 LEU 104 2HD2 LEU 104 -8.462 -12.131 -9.246 551 3HD2 LEU 104 3HD2 LEU 104 -8.014 -10.966 -10.514 552 H GLU 105 H GLU 105 -8.896 -9.917 -12.063 553 HA GLU 105 HA GLU 105 -9.281 -7.853 -13.990 554 2HB GLU 105 2HB GLU 105 -10.642 -10.543 -14.154 555 2HG GLU 105 2HG GLU 105 -9.245 -8.638 -16.079 556 H ASN 106 H ASN 106 -10.732 -8.407 -11.091 557 HA ASN 106 HA ASN 106 -13.429 -8.049 -12.062 558 2HB ASN 106 2HB ASN 106 -12.960 -7.970 -9.125 559 1HD2 ASN 106 1HD2 ASN 106 -13.881 -10.426 -11.529 560 2HD2 ASN 106 2HD2 ASN 106 -15.551 -10.554 -11.087 561 H GLY 107 H GLY 107 -10.741 -6.167 -11.487 562 1HA GLY 107 1HA GLY 107 -10.579 -3.894 -11.414 563 2HA GLY 107 2HA GLY 107 -12.299 -3.766 -11.104 564 H THR 108 H THR 108 -9.526 -5.399 -9.396 565 HA THR 108 HA THR 108 -9.970 -3.672 -7.101 566 HB THR 108 HB THR 108 -11.313 -5.260 -6.122 567 HG1 THR 108 1HG THR 108 -8.896 -6.897 -6.369 568 1HG2 THR 108 1HG2 THR 108 -11.963 -6.618 -7.948 569 2HG2 THR 108 2HG2 THR 108 -10.281 -7.019 -8.368 570 3HG2 THR 108 3HG2 THR 108 -11.050 -7.777 -6.953 571 H TRP 109 H TRP 109 -8.300 -4.401 -5.292 572 HA TRP 109 HA TRP 109 -5.772 -4.770 -6.743 573 2HB TRP 109 2HB TRP 109 -4.775 -3.631 -4.743 574 HD1 TRP 109 HD TRP 109 -7.336 -0.991 -4.957 575 HE1 TRP 109 1HE TRP 109 -6.859 0.806 -6.829 576 HE3 TRP 109 3HE TRP 109 -3.781 -3.696 -7.385 577 HZ2 TRP 109 2HZ TRP 109 -5.090 0.893 -9.067 578 HZ3 TRP 109 3HZ TRP 109 -2.728 -2.683 -9.405 579 HH2 TRP 109 HH TRP 109 -3.330 -0.470 -10.252 580 H ALA 110 H ALA 110 -4.115 -5.466 -4.621 581 HA ALA 110 HA ALA 110 -5.262 -8.055 -3.858 582 1HB ALA 110 1HB ALA 110 -2.425 -7.853 -3.409 583 2HB ALA 110 2HB ALA 110 -3.300 -8.889 -4.562 584 3HB ALA 110 3HB ALA 110 -2.794 -7.252 -5.044 585 H SER 111 H SER 111 -3.933 -8.851 -1.707 586 HA SER 111 HA SER 111 -5.029 -7.366 0.328 587 2HB SER 111 2HB SER 111 -3.631 -8.805 1.829 588 HG SER 111 HG SER 111 -5.100 -9.863 -0.366 589 H ARG 112 H ARG 112 -1.598 -7.578 -0.845 590 HA ARG 112 HA ARG 112 -1.203 -4.879 -0.084 591 2HB ARG 112 2HB ARG 112 1.029 -6.094 1.181 592 2HG ARG 112 2HG ARG 112 -1.211 -5.334 2.969 593 2HD ARG 112 2HD ARG 112 0.566 -3.551 3.576 594 HE ARG 112 HE ARG 112 0.552 -6.342 4.179 595 1HH1 ARG 112 2HH2 ARG 112 2.739 -3.589 4.292 596 2HH1 ARG 112 1HH2 ARG 112 3.670 -4.220 5.609 597 1HH2 ARG 112 2HH1 ARG 112 1.779 -7.176 5.916 598 2HH2 ARG 112 1HH1 ARG 112 3.121 -6.274 6.539 599 H VAL 113 H VAL 113 0.954 -4.071 -0.876 600 HA VAL 113 HA VAL 113 1.630 -5.292 -3.327 601 HB VAL 113 HB VAL 113 3.305 -3.255 -1.889 602 1HG1 VAL 113 1HG1 VAL 113 2.534 -3.626 -4.804 603 2HG1 VAL 113 2HG1 VAL 113 3.602 -2.355 -4.161 604 3HG1 VAL 113 3HG1 VAL 113 4.093 -4.064 -4.064 605 1HG2 VAL 113 1HG2 VAL 113 1.416 -1.830 -3.390 606 2HG2 VAL 113 2HG2 VAL 113 0.469 -3.034 -2.483 607 3HG2 VAL 113 3HG2 VAL 113 1.542 -1.909 -1.616 608 H ASN 114 H ASN 114 3.474 -6.474 -3.947 609 HA ASN 114 HA ASN 114 4.373 -8.339 -2.234 610 2HB ASN 114 2HB ASN 114 5.312 -7.195 -4.829 611 1HD2 ASN 114 1HD2 ASN 114 7.320 -6.475 -4.915 612 2HD2 ASN 114 2HD2 ASN 114 8.739 -7.310 -4.377 613 H TYR 115 H TYR 115 6.204 -5.378 -3.344 614 HA TYR 115 HA TYR 115 8.096 -4.477 -2.509 615 2HB TYR 115 2HB TYR 115 7.190 -4.193 0.208 616 HD1 TYR 115 1HD TYR 115 8.218 -2.103 0.423 617 HD2 TYR 115 2HD TYR 115 5.528 -2.777 -2.836 618 HE1 TYR 115 1HE TYR 115 8.362 0.354 -0.216 619 HE2 TYR 115 2HE TYR 115 5.682 -0.319 -3.462 620 HH TYR 115 HH TYR 115 7.443 1.955 -1.424 621 H SER 116 H SER 116 8.475 -7.273 -2.521 622 HA SER 116 HA SER 116 9.902 -7.585 0.005 623 2HB SER 116 2HB SER 116 9.111 -10.037 -1.518 624 HG SER 116 HG SER 116 8.612 -10.696 0.730 625 H HIS 117 H HIS 117 10.208 -6.925 -3.227 626 HA HIS 117 HA HIS 117 12.871 -8.091 -3.269 627 2HB HIS 117 2HB HIS 117 12.205 -8.383 -5.879 628 HD1 HIS 117 1HD HIS 117 10.629 -10.718 -3.302 629 HD2 HIS 117 2HD HIS 117 14.008 -10.472 -5.776 630 HE1 HIS 117 1HE HIS 117 11.808 -12.975 -3.130 631 H CYS 118 H CYS 118 12.532 -5.547 -2.494 632 HA CYS 118 HA CYS 118 12.274 -3.717 -4.617 633 2HB CYS 118 2HB CYS 118 13.442 -3.438 -1.842 634 H GLU 119 H GLU 119 13.799 -5.144 -6.045 635 HA GLU 119 HA GLU 119 15.717 -5.532 -7.002 636 2HB GLU 119 2HB GLU 119 17.349 -3.428 -6.917 637 2HG GLU 119 2HG GLU 119 15.708 -2.206 -8.474 638 HA PRO 120 HA PRO 120 17.945 -6.755 -3.294 639 2HB PRO 120 2HB PRO 120 16.868 -8.765 -2.974 640 2HG PRO 120 2HG PRO 120 15.508 -9.417 -4.719 641 2HD PRO 120 2HD PRO 120 15.059 -7.375 -5.673 642 H ILE 121 H ILE 121 19.292 -5.182 -4.800 643 HA ILE 121 HA ILE 121 21.150 -4.874 -6.013 644 HB ILE 121 HB ILE 121 21.849 -6.497 -3.619 645 2HG1 ILE 121 2HG1 ILE 121 23.035 -4.415 -3.011 646 1HG2 ILE 121 1HG2 ILE 121 23.607 -6.139 -5.979 647 2HG2 ILE 121 2HG2 ILE 121 24.325 -5.777 -4.391 648 3HG2 ILE 121 3HG2 ILE 121 23.621 -7.381 -4.705 649 1HD1 ILE 121 1HD1 ILE 121 21.670 -2.952 -5.243 650 2HD1 ILE 121 2HD1 ILE 121 23.189 -2.573 -4.397 651 3HD1 ILE 121 3HD1 ILE 121 23.162 -3.833 -5.653 652 H LEU 122 H LEU 122 20.385 -5.837 -8.007 653 HA LEU 122 HA LEU 122 21.968 -8.181 -8.676 654 2HB LEU 122 2HB LEU 122 19.029 -8.116 -8.473 655 HG LEU 122 HG LEU 122 19.480 -8.230 -10.995 656 1HD1 LEU 122 1HD1 LEU 122 20.184 -11.088 -10.728 657 2HD1 LEU 122 2HD1 LEU 122 20.690 -9.879 -11.933 658 3HD1 LEU 122 3HD1 LEU 122 21.483 -9.932 -10.340 659 1HD2 LEU 122 1HD2 LEU 122 18.129 -10.700 -10.709 660 2HD2 LEU 122 2HD2 LEU 122 17.720 -9.713 -9.285 661 3HD2 LEU 122 3HD2 LEU 122 17.432 -9.075 -10.921 662 H ASP 123 H ASP 123 23.254 -7.373 -10.249 663 HA ASP 123 HA ASP 123 22.094 -6.503 -12.630 664 2HB ASP 123 2HB ASP 123 23.615 -4.362 -11.073 665 H ASP 124 H ASP 124 23.697 -8.500 -12.673 666 HA ASP 124 HA ASP 124 26.081 -7.606 -13.836 667 2HB ASP 124 2HB ASP 124 26.665 -9.388 -11.485 668 H LYS 125 H LYS 125 27.478 -9.678 -14.432 669 HA LYS 125 HA LYS 125 26.019 -12.160 -14.251 670 2HB LYS 125 2HB LYS 125 26.627 -11.053 -17.000 671 2HG LYS 125 2HG LYS 125 25.450 -13.548 -15.840 672 2HD LYS 125 2HD LYS 125 23.755 -11.919 -17.373 673 2HE LYS 125 2HE LYS 125 25.100 -14.040 -19.112 674 1HZ LYS 125 1HZ LYS 125 22.524 -13.660 -19.093 675 2HZ LYS 125 2HZ LYS 125 22.918 -12.396 -20.051 676 3HZ LYS 125 3HZ LYS 125 23.340 -13.913 -20.486 677 H GLN 126 H GLN 126 28.028 -12.354 -12.881 678 HA GLN 126 HA GLN 126 30.420 -12.602 -14.487 679 2HB GLN 126 2HB GLN 126 30.631 -11.355 -12.390 680 2HG GLN 126 2HG GLN 126 28.863 -13.352 -11.382 681 1HE2 GLN 126 1HE2 GLN 126 28.933 -14.821 -9.782 682 2HE2 GLN 126 2HE2 GLN 126 30.378 -15.438 -9.054 683 H ARG 127 H ARG 127 30.816 -14.551 -15.435 684 HA ARG 127 HA ARG 127 30.971 -16.861 -13.948 685 2HB ARG 127 2HB ARG 127 28.549 -16.967 -13.882 686 2HG ARG 127 2HG ARG 127 28.813 -15.886 -16.632 687 2HD ARG 127 2HD ARG 127 27.896 -18.360 -16.837 688 HE ARG 127 HE ARG 127 25.983 -17.327 -15.026 689 1HH1 ARG 127 2HH2 ARG 127 26.008 -18.943 -18.152 690 2HH1 ARG 127 1HH2 ARG 127 24.461 -19.689 -17.923 691 1HH2 ARG 127 2HH1 ARG 127 23.942 -18.311 -14.724 692 2HH2 ARG 127 1HH1 ARG 127 23.278 -19.327 -15.959 693 H LYS 128 H LYS 128 31.456 -18.812 -15.424 694 HA LYS 128 HA LYS 128 31.647 -18.534 -18.184 695 2HB LYS 128 2HB LYS 128 34.206 -17.847 -16.709 696 2HG LYS 128 2HG LYS 128 34.447 -19.429 -18.718 697 2HD LYS 128 2HD LYS 128 32.778 -17.304 -19.893 698 2HE LYS 128 2HE LYS 128 34.493 -18.054 -22.052 699 1HZ LYS 128 1HZ LYS 128 34.727 -15.422 -20.934 700 2HZ LYS 128 2HZ LYS 128 34.310 -15.880 -22.445 701 3HZ LYS 128 3HZ LYS 128 33.197 -15.896 -21.249 702 H TYR 129 H TYR 129 31.235 -20.636 -18.608 703 HA TYR 129 HA TYR 129 33.103 -22.604 -17.626 704 2HB TYR 129 2HB TYR 129 31.242 -22.302 -15.872 705 HD1 TYR 129 1HD TYR 129 29.668 -24.513 -18.431 706 HD2 TYR 129 2HD TYR 129 29.272 -21.003 -16.019 707 HE1 TYR 129 1HE TYR 129 27.222 -24.324 -19.096 708 HE2 TYR 129 2HE TYR 129 26.827 -20.825 -16.692 709 HH TYR 129 HH TYR 129 25.459 -21.588 -18.716 710 H ASP 130 H ASP 130 33.242 -24.401 -18.991 711 HA ASP 130 HA ASP 130 31.257 -25.226 -20.684 712 2HB ASP 130 2HB ASP 130 33.017 -24.253 -22.710 713 H LEU 131 H LEU 131 32.258 -26.785 -22.434 714 HA LEU 131 HA LEU 131 35.020 -27.376 -22.262 715 2HB LEU 131 2HB LEU 131 33.114 -29.179 -20.767 716 HG LEU 131 HG LEU 131 35.084 -30.264 -22.182 717 1HD1 LEU 131 1HD1 LEU 131 37.107 -29.524 -21.632 718 2HD1 LEU 131 2HD1 LEU 131 36.484 -28.644 -20.217 719 3HD1 LEU 131 3HD1 LEU 131 36.906 -30.367 -20.078 720 1HD2 LEU 131 1HD2 LEU 131 34.243 -30.886 -19.351 721 2HD2 LEU 131 2HD2 LEU 131 33.716 -31.644 -20.873 722 3HD2 LEU 131 3HD2 LEU 131 35.361 -31.932 -20.259 723 H HIS 132 H HIS 132 35.417 -27.874 -24.344 724 HA HIS 132 HA HIS 132 34.034 -30.002 -25.577 725 2HB HIS 132 2HB HIS 132 32.444 -27.961 -25.753 726 HD1 HIS 132 1HD HIS 132 33.499 -25.548 -25.765 727 HD2 HIS 132 2HD HIS 132 34.054 -27.729 -29.304 728 HE1 HIS 132 1HE HIS 132 34.278 -23.870 -27.523 729 HE2 HIS 132 2HE HIS 132 34.655 -25.278 -29.662 730 H TYR 133 H TYR 133 34.791 -30.073 -28.050 731 HA TYR 133 HA TYR 133 37.628 -29.954 -27.940 732 2HB TYR 133 2HB TYR 133 35.382 -30.624 -29.894 733 HD1 TYR 133 1HD TYR 133 39.144 -30.750 -29.889 734 HD2 TYR 133 2HD TYR 133 35.554 -30.355 -32.184 735 HE1 TYR 133 1HE TYR 133 40.519 -30.512 -32.013 736 HE2 TYR 133 2HE TYR 133 36.942 -30.117 -34.299 737 HH TYR 133 HH TYR 133 40.472 -30.421 -34.184 Start of MODEL 9 1 1H GLY 15 H GLY 15 -24.010 27.212 65.876 2 1HA GLY 15 1HA GLY 15 -24.788 26.428 63.517 3 2HA GLY 15 2HA GLY 15 -25.340 28.088 63.411 4 H SER 16 H SER 16 -23.909 29.637 62.720 5 HA SER 16 HA SER 16 -22.056 30.612 62.148 6 2HB SER 16 2HB SER 16 -20.708 28.726 64.133 7 HG SER 16 HG SER 16 -19.474 30.186 62.373 8 H GLY 17 H GLY 17 -21.840 30.067 59.975 9 1HA GLY 17 1HA GLY 17 -20.481 27.513 59.367 10 2HA GLY 17 2HA GLY 17 -21.616 28.338 58.316 11 H MET 18 H MET 18 -19.943 28.284 56.626 12 HA MET 18 HA MET 18 -18.243 30.600 56.876 13 2HB MET 18 2HB MET 18 -16.523 28.839 55.590 14 2HG MET 18 2HG MET 18 -16.466 30.331 57.918 15 1HE MET 18 1HE MET 18 -16.504 29.024 61.362 16 2HE MET 18 2HE MET 18 -15.294 29.921 60.412 17 3HE MET 18 3HE MET 18 -17.027 30.277 60.210 18 H LYS 19 H LYS 19 -17.083 30.977 54.610 19 HA LYS 19 HA LYS 19 -18.241 29.810 52.334 20 2HB LYS 19 2HB LYS 19 -19.297 32.589 52.903 21 2HG LYS 19 2HG LYS 19 -19.144 30.927 50.562 22 2HD LYS 19 2HD LYS 19 -21.868 31.080 51.878 23 2HE LYS 19 2HE LYS 19 -21.375 32.012 49.233 24 1HZ LYS 19 1HZ LYS 19 -21.189 29.720 48.573 25 2HZ LYS 19 2HZ LYS 19 -22.611 29.345 49.283 26 3HZ LYS 19 3HZ LYS 19 -22.580 30.347 47.994 27 H GLU 20 H GLU 20 -17.163 30.500 50.427 28 HA GLU 20 HA GLU 20 -15.728 32.792 50.168 29 2HB GLU 20 2HB GLU 20 -13.430 31.132 50.479 30 2HG GLU 20 2HG GLU 20 -13.594 32.890 52.696 31 H THR 21 H THR 21 -14.746 32.899 48.080 32 HA THR 21 HA THR 21 -14.037 30.633 46.587 33 HB THR 21 HB THR 21 -16.521 30.226 46.703 34 HG1 THR 21 1HG THR 21 -15.469 31.249 44.159 35 1HG2 THR 21 1HG2 THR 21 -16.543 32.986 45.406 36 2HG2 THR 21 2HG2 THR 21 -17.842 31.809 45.097 37 3HG2 THR 21 3HG2 THR 21 -17.548 32.398 46.751 38 H ALA 22 H ALA 22 -13.166 31.174 44.534 39 HA ALA 22 HA ALA 22 -13.397 33.862 43.590 40 1HB ALA 22 1HB ALA 22 -11.121 33.021 45.319 41 2HB ALA 22 2HB ALA 22 -10.687 33.890 43.826 42 3HB ALA 22 3HB ALA 22 -11.785 34.644 45.007 43 H ALA 23 H ALA 23 -12.018 34.140 41.567 44 HA ALA 23 HA ALA 23 -10.840 31.823 40.429 45 1HB ALA 23 1HB ALA 23 -13.701 32.504 39.819 46 2HB ALA 23 2HB ALA 23 -12.661 31.945 38.487 47 3HB ALA 23 3HB ALA 23 -12.905 30.915 39.918 48 H ALA 24 H ALA 24 -9.994 32.310 38.220 49 HA ALA 24 HA ALA 24 -10.304 34.778 36.999 50 1HB ALA 24 1HB ALA 24 -9.312 35.972 38.743 51 2HB ALA 24 2HB ALA 24 -8.195 34.647 39.152 52 3HB ALA 24 3HB ALA 24 -7.914 35.630 37.695 53 H LYS 25 H LYS 25 -8.878 34.977 35.127 54 HA LYS 25 HA LYS 25 -6.755 33.245 34.650 55 2HB LYS 25 2HB LYS 25 -8.510 32.081 32.781 56 2HG LYS 25 2HG LYS 25 -8.110 30.091 34.565 57 2HD LYS 25 2HD LYS 25 -5.934 31.425 32.884 58 2HE LYS 25 2HE LYS 25 -5.534 28.640 32.951 59 1HZ LYS 25 1HZ LYS 25 -3.795 30.217 32.964 60 2HZ LYS 25 2HZ LYS 25 -4.231 30.825 34.416 61 3HZ LYS 25 3HZ LYS 25 -3.617 29.315 34.314 62 H PHE 26 H PHE 26 -6.327 33.184 32.114 63 HA PHE 26 HA PHE 26 -7.181 35.804 31.100 64 2HB PHE 26 2HB PHE 26 -4.878 35.606 29.894 65 HD1 PHE 26 1HD PHE 26 -3.449 34.432 32.870 66 HD2 PHE 26 2HD PHE 26 -5.529 37.769 31.274 67 HE1 PHE 26 1HE PHE 26 -2.533 35.880 34.703 68 HE2 PHE 26 2HE PHE 26 -4.611 39.217 33.107 69 HZ PHE 26 HZ PHE 26 -3.125 38.255 34.801 70 H GLU 27 H GLU 27 -6.705 35.878 28.559 71 HA GLU 27 HA GLU 27 -7.613 33.331 27.468 72 2HB GLU 27 2HB GLU 27 -9.514 34.922 27.602 73 2HG GLU 27 2HG GLU 27 -7.493 36.781 26.615 74 H ARG 28 H ARG 28 -7.011 32.964 25.179 75 HA ARG 28 HA ARG 28 -4.767 34.659 24.423 76 2HB ARG 28 2HB ARG 28 -4.165 32.269 23.201 77 2HG ARG 28 2HG ARG 28 -3.485 33.238 26.010 78 2HD ARG 28 2HD ARG 28 -1.859 31.175 24.493 79 HE ARG 28 HE ARG 28 -1.546 32.496 26.969 80 1HH1 ARG 28 2HH2 ARG 28 -1.598 29.180 25.793 81 2HH1 ARG 28 1HH2 ARG 28 -0.546 28.588 27.035 82 1HH2 ARG 28 2HH1 ARG 28 -0.159 31.715 28.608 83 2HH2 ARG 28 1HH1 ARG 28 0.278 30.040 28.648 84 H GLN 29 H GLN 29 -4.251 34.329 21.929 85 HA GLN 29 HA GLN 29 -6.800 34.574 20.596 86 2HB GLN 29 2HB GLN 29 -4.081 35.072 19.341 87 2HG GLN 29 2HG GLN 29 -6.712 35.277 18.391 88 1HE2 GLN 29 1HE2 GLN 29 -8.045 36.937 17.736 89 2HE2 GLN 29 2HE2 GLN 29 -8.062 38.500 18.480 90 H HIS 30 H HIS 30 -3.599 32.912 20.109 91 HA HIS 30 HA HIS 30 -3.049 31.079 19.035 92 2HB HIS 30 2HB HIS 30 -5.679 29.755 19.221 93 HD1 HIS 30 1HD HIS 30 -3.383 28.999 21.971 94 HD2 HIS 30 2HD HIS 30 -3.761 27.888 17.944 95 HE1 HIS 30 1HE HIS 30 -1.973 26.894 21.675 96 H MET 31 H MET 31 -3.501 29.644 17.053 97 HA MET 31 HA MET 31 -5.543 30.274 15.308 98 2HB MET 31 2HB MET 31 -3.042 31.428 14.122 99 2HG MET 31 2HG MET 31 -5.338 31.402 13.015 100 1HE MET 31 1HE MET 31 -8.154 32.070 13.161 101 2HE MET 31 2HE MET 31 -8.288 33.803 13.543 102 3HE MET 31 3HE MET 31 -7.068 33.240 12.376 103 H ASP 32 H ASP 32 -5.201 29.247 13.116 104 HA ASP 32 HA ASP 32 -2.849 27.793 12.667 105 2HB ASP 32 2HB ASP 32 -4.830 25.700 12.793 106 H SER 33 H SER 33 -3.194 26.334 10.635 107 HA SER 33 HA SER 33 -5.319 27.535 9.051 108 2HB SER 33 2HB SER 33 -3.670 26.286 7.230 109 HG SER 33 HG SER 33 -3.010 28.343 6.713 110 HA PRO 34 HA PRO 34 -7.118 23.612 8.492 111 2HB PRO 34 2HB PRO 34 -8.924 24.481 7.359 112 2HG PRO 34 2HG PRO 34 -8.525 26.495 6.309 113 2HD PRO 34 2HD PRO 34 -6.769 27.273 7.573 114 H ASP 35 H ASP 35 -7.503 21.940 6.299 115 HA ASP 35 HA ASP 35 -4.708 21.264 5.817 116 2HB ASP 35 2HB ASP 35 -5.420 19.413 7.017 117 H LEU 36 H LEU 36 -4.128 20.992 3.621 118 HA LEU 36 HA LEU 36 -6.294 20.706 1.687 119 2HB LEU 36 2HB LEU 36 -5.171 22.427 0.257 120 HG LEU 36 HG LEU 36 -6.647 23.091 2.751 121 1HD1 LEU 36 1HD1 LEU 36 -5.820 25.473 1.197 122 2HD1 LEU 36 2HD1 LEU 36 -6.123 25.277 2.940 123 3HD1 LEU 36 3HD1 LEU 36 -4.575 24.747 2.239 124 1HD2 LEU 36 1HD2 LEU 36 -8.224 24.062 1.234 125 2HD2 LEU 36 2HD2 LEU 36 -7.063 23.983 -0.113 126 3HD2 LEU 36 3HD2 LEU 36 -7.725 22.483 0.580 127 H GLY 37 H GLY 37 -5.260 18.460 2.113 128 1HA GLY 37 1HA GLY 37 -4.101 16.758 1.207 129 2HA GLY 37 2HA GLY 37 -3.660 17.812 -0.121 130 H THR 38 H THR 38 -2.958 17.852 3.452 131 HA THR 38 HA THR 38 -0.302 18.761 3.019 132 HB THR 38 HB THR 38 -1.454 17.466 5.533 133 HG1 THR 38 1HG THR 38 -1.808 20.064 4.223 134 1HG2 THR 38 1HG2 THR 38 0.127 18.720 6.676 135 2HG2 THR 38 2HG2 THR 38 1.005 18.629 5.130 136 3HG2 THR 38 3HG2 THR 38 0.031 20.068 5.518 137 H THR 39 H THR 39 0.422 16.655 5.315 138 HA THR 39 HA THR 39 1.919 15.007 3.532 139 HB THR 39 HB THR 39 1.475 15.043 6.562 140 HG1 THR 39 1HG THR 39 3.583 15.831 4.674 141 1HG2 THR 39 1HG2 THR 39 3.457 13.498 4.814 142 2HG2 THR 39 2HG2 THR 39 3.706 13.791 6.552 143 3HG2 THR 39 3HG2 THR 39 2.322 12.816 6.002 144 H LEU 40 H LEU 40 0.871 13.587 2.252 145 HA LEU 40 HA LEU 40 -0.354 11.851 1.658 146 2HB LEU 40 2HB LEU 40 -0.860 10.165 3.588 147 HG LEU 40 HG LEU 40 1.273 10.363 1.893 148 1HD1 LEU 40 1HD1 LEU 40 3.258 10.695 2.885 149 2HD1 LEU 40 2HD1 LEU 40 2.302 11.533 4.131 150 3HD1 LEU 40 3HD1 LEU 40 2.781 9.835 4.368 151 1HD2 LEU 40 1HD2 LEU 40 1.917 8.141 3.388 152 2HD2 LEU 40 2HD2 LEU 40 0.195 8.388 3.768 153 3HD2 LEU 40 3HD2 LEU 40 0.717 8.207 2.076 154 H LEU 41 H LEU 41 -2.050 11.237 4.606 155 HA LEU 41 HA LEU 41 -4.190 11.424 5.127 156 2HB LEU 41 2HB LEU 41 -5.109 13.625 5.258 157 HG LEU 41 HG LEU 41 -2.313 13.224 6.004 158 1HD1 LEU 41 1HD1 LEU 41 -2.740 15.590 4.596 159 2HD1 LEU 41 2HD1 LEU 41 -2.827 16.067 6.309 160 3HD1 LEU 41 3HD1 LEU 41 -1.387 15.221 5.692 161 1HD2 LEU 41 1HD2 LEU 41 -3.163 14.524 8.035 162 2HD2 LEU 41 2HD2 LEU 41 -4.759 14.478 7.247 163 3HD2 LEU 41 3HD2 LEU 41 -3.936 12.960 7.677 164 H GLU 42 H GLU 42 -3.290 10.691 2.250 165 HA GLU 42 HA GLU 42 -4.359 9.857 0.537 166 2HB GLU 42 2HB GLU 42 -6.986 11.020 1.547 167 2HG GLU 42 2HG GLU 42 -6.745 8.337 0.242 168 H GLN 43 H GLN 43 -3.138 12.509 0.634 169 HA GLN 43 HA GLN 43 -4.545 14.527 -0.438 170 2HB GLN 43 2HB GLN 43 -2.121 14.558 0.238 171 2HG GLN 43 2HG GLN 43 -1.313 13.838 -2.551 172 1HE2 GLN 43 1HE2 GLN 43 -0.045 11.529 -0.837 173 2HE2 GLN 43 2HE2 GLN 43 1.343 12.273 -0.117 174 H TYR 44 H TYR 44 -4.147 15.401 -2.858 175 HA TYR 44 HA TYR 44 -5.766 14.162 -4.559 176 2HB TYR 44 2HB TYR 44 -4.400 16.350 -4.774 177 HD1 TYR 44 1HD TYR 44 -2.249 15.450 -3.289 178 HD2 TYR 44 2HD TYR 44 -2.621 15.351 -7.550 179 HE1 TYR 44 1HE TYR 44 0.283 15.409 -3.517 180 HE2 TYR 44 2HE TYR 44 -0.089 15.311 -7.763 181 HH TYR 44 HH TYR 44 1.955 15.949 -5.092 182 H CYS 45 H CYS 45 -5.924 12.158 -5.420 183 HA CYS 45 HA CYS 45 -3.424 10.869 -6.206 184 2HB CYS 45 2HB CYS 45 -4.678 8.684 -5.493 185 H HIS 46 H HIS 46 -7.058 10.571 -6.237 186 HA HIS 46 HA HIS 46 -7.378 9.105 -8.466 187 2HB HIS 46 2HB HIS 46 -9.353 11.140 -8.588 188 HD1 HIS 46 1HD HIS 46 -11.335 9.856 -6.507 189 HD2 HIS 46 2HD HIS 46 -8.837 7.711 -9.107 190 HE1 HIS 46 1HE HIS 46 -12.401 7.555 -6.785 191 H ARG 47 H ARG 47 -8.192 9.861 -10.709 192 HA ARG 47 HA ARG 47 -6.483 12.068 -11.542 193 2HB ARG 47 2HB ARG 47 -5.440 10.360 -12.704 194 2HG ARG 47 2HG ARG 47 -8.096 8.854 -12.842 195 2HD ARG 47 2HD ARG 47 -6.417 6.902 -13.180 196 HE ARG 47 HE ARG 47 -7.566 8.635 -15.095 197 1HH1 ARG 47 2HH2 ARG 47 -4.805 6.463 -14.885 198 2HH1 ARG 47 1HH2 ARG 47 -4.793 6.108 -16.580 199 1HH2 ARG 47 2HH1 ARG 47 -7.550 8.167 -17.331 200 2HH2 ARG 47 1HH1 ARG 47 -6.365 7.084 -17.981 201 H THR 48 H THR 48 -9.467 10.131 -12.247 202 HA THR 48 HA THR 48 -11.150 12.294 -12.527 203 HB THR 48 HB THR 48 -9.961 13.082 -14.461 204 HG1 THR 48 1HG THR 48 -11.598 12.545 -16.099 205 1HG2 THR 48 1HG2 THR 48 -8.608 10.981 -14.883 206 2HG2 THR 48 2HG2 THR 48 -10.076 10.215 -15.538 207 3HG2 THR 48 3HG2 THR 48 -9.363 11.623 -16.362 208 H THR 49 H THR 49 -10.246 9.020 -13.662 209 HA THR 49 HA THR 49 -11.445 7.158 -13.885 210 HB THR 49 HB THR 49 -12.780 6.642 -12.007 211 HG1 THR 49 1HG THR 49 -14.550 7.968 -11.924 212 1HG2 THR 49 1HG2 THR 49 -11.975 9.196 -10.703 213 2HG2 THR 49 2HG2 THR 49 -11.633 7.521 -10.209 214 3HG2 THR 49 3HG2 THR 49 -10.626 8.306 -11.449 215 H ILE 50 H ILE 50 -12.311 6.792 -15.827 216 HA ILE 50 HA ILE 50 -13.651 6.953 -17.579 217 HB ILE 50 HB ILE 50 -15.101 5.919 -15.783 218 2HG1 ILE 50 2HG1 ILE 50 -15.541 6.173 -18.345 219 1HG2 ILE 50 1HG2 ILE 50 -15.804 7.496 -14.303 220 2HG2 ILE 50 2HG2 ILE 50 -15.920 8.774 -15.537 221 3HG2 ILE 50 3HG2 ILE 50 -17.189 7.530 -15.421 222 1HD1 ILE 50 1HD1 ILE 50 -16.722 4.707 -16.394 223 2HD1 ILE 50 2HD1 ILE 50 -18.106 5.726 -16.859 224 3HD1 ILE 50 3HD1 ILE 50 -17.304 4.705 -18.077 225 H GLY 51 H GLY 51 -15.418 8.424 -18.731 226 1HA GLY 51 1HA GLY 51 -14.321 11.101 -18.654 227 2HA GLY 51 2HA GLY 51 -15.469 10.441 -19.803 228 H ASN 52 H ASN 52 -15.508 10.712 -16.175 229 HA ASN 52 HA ASN 52 -17.302 12.795 -16.100 230 2HB ASN 52 2HB ASN 52 -18.756 10.219 -15.413 231 1HD2 ASN 52 1HD2 ASN 52 -21.070 10.522 -15.718 232 2HD2 ASN 52 2HD2 ASN 52 -21.780 12.077 -15.440 233 H PHE 53 H PHE 53 -17.607 13.407 -13.860 234 HA PHE 53 HA PHE 53 -15.802 12.375 -12.036 235 2HB PHE 53 2HB PHE 53 -17.035 13.867 -10.486 236 HD1 PHE 53 1HD PHE 53 -18.850 15.228 -13.277 237 HD2 PHE 53 2HD PHE 53 -15.045 15.109 -11.402 238 HE1 PHE 53 1HE PHE 53 -18.172 17.297 -14.525 239 HE2 PHE 53 2HE PHE 53 -14.366 17.179 -12.651 240 HZ PHE 53 HZ PHE 53 -15.936 18.248 -14.197 241 H SER 54 H SER 54 -15.809 10.637 -10.681 242 HA SER 54 HA SER 54 -16.457 8.769 -9.773 243 2HB SER 54 2HB SER 54 -18.571 8.856 -8.402 244 HG SER 54 HG SER 54 -17.942 10.759 -7.154 245 H GLY 55 H GLY 55 -16.507 7.797 -12.008 246 1HA GLY 55 1HA GLY 55 -18.960 7.563 -13.427 247 2HA GLY 55 2HA GLY 55 -17.484 6.657 -13.691 248 HA PRO 56 HA PRO 56 -20.316 3.618 -12.004 249 2HB PRO 56 2HB PRO 56 -20.912 2.671 -14.016 250 2HG PRO 56 2HG PRO 56 -19.639 3.352 -15.816 251 2HD PRO 56 2HD PRO 56 -18.892 5.383 -15.041 252 H TYR 57 H TYR 57 -17.759 1.616 -13.193 253 HA TYR 57 HA TYR 57 -16.028 1.749 -11.056 254 2HB TYR 57 2HB TYR 57 -17.818 -0.678 -10.729 255 HD1 TYR 57 1HD TYR 57 -17.527 -1.807 -8.674 256 HD2 TYR 57 2HD TYR 57 -15.974 2.152 -9.142 257 HE1 TYR 57 1HE TYR 57 -16.293 -2.022 -6.461 258 HE2 TYR 57 2HE TYR 57 -14.746 1.925 -6.928 259 HH TYR 57 HH TYR 57 -15.458 -0.065 -4.671 260 H THR 58 H THR 58 -16.021 -1.341 -10.792 261 HA THR 58 HA THR 58 -15.085 -3.081 -11.815 262 HB THR 58 HB THR 58 -16.083 -1.641 -14.329 263 HG1 THR 58 1HG THR 58 -17.540 -2.433 -12.488 264 1HG2 THR 58 1HG2 THR 58 -14.875 -4.386 -13.844 265 2HG2 THR 58 2HG2 THR 58 -16.170 -4.197 -15.051 266 3HG2 THR 58 3HG2 THR 58 -14.646 -3.297 -15.234 267 H TYR 59 H TYR 59 -13.799 -0.183 -11.531 268 HA TYR 59 HA TYR 59 -11.335 -1.008 -12.903 269 2HB TYR 59 2HB TYR 59 -12.460 0.861 -14.124 270 HD1 TYR 59 1HD TYR 59 -11.477 2.450 -10.869 271 HD2 TYR 59 2HD TYR 59 -14.479 1.994 -13.884 272 HE1 TYR 59 1HE TYR 59 -12.919 4.193 -9.708 273 HE2 TYR 59 2HE TYR 59 -15.910 3.738 -12.712 274 HH TYR 59 HH TYR 59 -16.155 4.964 -10.936 275 H CYS 60 H CYS 60 -9.379 -0.517 -11.808 276 HA CYS 60 HA CYS 60 -9.411 -0.723 -9.100 277 2HB CYS 60 2HB CYS 60 -7.102 -0.244 -9.121 278 H ASN 61 H ASN 61 -9.713 0.707 -7.389 279 HA ASN 61 HA ASN 61 -10.245 3.452 -8.178 280 2HB ASN 61 2HB ASN 61 -11.033 1.860 -5.682 281 1HD2 ASN 61 1HD2 ASN 61 -11.076 3.091 -3.970 282 2HD2 ASN 61 2HD2 ASN 61 -11.567 4.750 -3.879 283 H THR 62 H THR 62 -9.613 5.123 -6.362 284 HA THR 62 HA THR 62 -6.856 4.859 -5.822 285 HB THR 62 HB THR 62 -9.012 6.805 -4.843 286 HG1 THR 62 1HG THR 62 -6.878 6.956 -6.847 287 1HG2 THR 62 1HG2 THR 62 -6.122 6.590 -4.251 288 2HG2 THR 62 2HG2 THR 62 -6.538 8.119 -5.063 289 3HG2 THR 62 3HG2 THR 62 -7.337 7.675 -3.536 290 H THR 63 H THR 63 -5.825 3.753 -4.292 291 HA THR 63 HA THR 63 -7.069 3.564 -1.663 292 HB THR 63 HB THR 63 -6.160 1.139 -3.304 293 HG1 THR 63 1HG THR 63 -8.754 2.019 -2.254 294 1HG2 THR 63 1HG2 THR 63 -6.431 -0.119 -1.404 295 2HG2 THR 63 2HG2 THR 63 -6.305 1.415 -0.511 296 3HG2 THR 63 3HG2 THR 63 -7.905 0.767 -0.946 297 H LEU 64 H LEU 64 -5.633 3.662 0.000 298 HA LEU 64 HA LEU 64 -2.839 3.156 -0.582 299 2HB LEU 64 2HB LEU 64 -3.622 5.653 -1.024 300 HG LEU 64 HG LEU 64 -4.216 5.711 1.603 301 1HD1 LEU 64 1HD1 LEU 64 -1.265 5.874 1.438 302 2HD1 LEU 64 2HD1 LEU 64 -2.063 7.101 2.452 303 3HD1 LEU 64 3HD1 LEU 64 -2.323 5.371 2.778 304 1HD2 LEU 64 1HD2 LEU 64 -3.890 7.556 -0.468 305 2HD2 LEU 64 2HD2 LEU 64 -4.681 7.826 1.104 306 3HD2 LEU 64 3HD2 LEU 64 -2.960 8.227 0.894 307 H ASP 65 H ASP 65 -1.527 3.289 1.522 308 HA ASP 65 HA ASP 65 -2.963 3.253 3.931 309 2HB ASP 65 2HB ASP 65 -1.727 0.583 3.629 310 H GLN 66 H GLN 66 -1.104 1.441 5.336 311 HA GLN 66 HA GLN 66 0.881 2.998 6.054 312 2HB GLN 66 2HB GLN 66 2.051 0.374 5.868 313 2HG GLN 66 2HG GLN 66 1.550 0.346 8.308 314 1HE2 GLN 66 1HE2 GLN 66 1.402 3.402 9.008 315 2HE2 GLN 66 2HE2 GLN 66 3.027 3.953 8.773 316 H ILE 67 H ILE 67 1.148 0.617 3.317 317 HA ILE 67 HA ILE 67 3.184 2.379 2.170 318 HB ILE 67 HB ILE 67 4.618 0.828 3.018 319 2HG1 ILE 67 2HG1 ILE 67 4.277 0.792 0.318 320 1HG2 ILE 67 1HG2 ILE 67 2.433 -1.226 2.650 321 2HG2 ILE 67 2HG2 ILE 67 4.106 -1.650 3.082 322 3HG2 ILE 67 3HG2 ILE 67 3.141 -0.620 4.165 323 1HD1 ILE 67 1HD1 ILE 67 6.442 -0.590 0.325 324 2HD1 ILE 67 2HD1 ILE 67 6.465 0.888 1.315 325 3HD1 ILE 67 3HD1 ILE 67 6.255 -0.700 2.091 326 H GLY 68 H GLY 68 0.799 2.866 1.286 327 1HA GLY 68 1HA GLY 68 0.151 1.013 -0.899 328 2HA GLY 68 2HA GLY 68 -0.865 2.289 -0.259 329 H THR 69 H THR 69 2.154 3.683 -0.342 330 HA THR 69 HA THR 69 2.818 5.448 -1.590 331 HB THR 69 HB THR 69 4.160 3.558 -2.412 332 HG1 THR 69 1HG THR 69 2.966 5.037 -4.644 333 1HG2 THR 69 1HG2 THR 69 3.449 2.356 -4.496 334 2HG2 THR 69 2HG2 THR 69 2.341 2.016 -3.145 335 3HG2 THR 69 3HG2 THR 69 1.869 3.174 -4.413 336 H CYS 70 H CYS 70 -0.134 5.151 -1.459 337 HA CYS 70 HA CYS 70 -1.952 5.922 -2.432 338 2HB CYS 70 2HB CYS 70 0.160 7.867 -3.219 339 H TRP 71 H TRP 71 -2.728 4.261 -3.762 340 HA TRP 71 HA TRP 71 -1.538 4.012 -6.419 341 2HB TRP 71 2HB TRP 71 -2.819 1.910 -6.531 342 HD1 TRP 71 HD TRP 71 -2.044 1.185 -2.975 343 HE1 TRP 71 1HE TRP 71 0.357 0.150 -2.616 344 HE3 TRP 71 3HE TRP 71 -0.296 2.293 -7.619 345 HZ2 TRP 71 2HZ TRP 71 2.664 -0.085 -4.277 346 HZ3 TRP 71 3HZ TRP 71 2.042 1.627 -8.170 347 HH2 TRP 71 HH TRP 71 3.507 0.476 -6.587 348 HA PRO 72 HA PRO 72 -5.051 6.387 -7.643 349 2HB PRO 72 2HB PRO 72 -3.774 7.961 -8.733 350 2HG PRO 72 2HG PRO 72 -1.584 7.337 -9.102 351 2HD PRO 72 2HD PRO 72 -1.316 5.783 -7.429 352 H GLN 73 H GLN 73 -6.943 6.125 -8.856 353 HA GLN 73 HA GLN 73 -7.735 3.644 -9.275 354 2HB GLN 73 2HB GLN 73 -9.094 5.772 -9.514 355 2HG GLN 73 2HG GLN 73 -7.407 6.557 -11.434 356 1HE2 GLN 73 1HE2 GLN 73 -10.598 5.626 -12.651 357 2HE2 GLN 73 2HE2 GLN 73 -10.072 4.858 -14.111 358 H SER 74 H SER 74 -8.150 2.327 -11.298 359 HA SER 74 HA SER 74 -6.564 2.871 -13.562 360 2HB SER 74 2HB SER 74 -4.881 1.221 -13.394 361 HG SER 74 HG SER 74 -4.003 1.450 -11.152 362 H ALA 75 H ALA 75 -6.438 0.403 -14.793 363 HA ALA 75 HA ALA 75 -9.260 -0.373 -14.805 364 1HB ALA 75 1HB ALA 75 -7.712 0.468 -16.848 365 2HB ALA 75 2HB ALA 75 -7.347 -1.274 -16.918 366 3HB ALA 75 3HB ALA 75 -9.029 -0.710 -17.063 367 HA PRO 76 HA PRO 76 -8.319 -4.386 -13.483 368 2HB PRO 76 2HB PRO 76 -10.496 -5.109 -13.684 369 2HG PRO 76 2HG PRO 76 -11.749 -3.971 -15.250 370 2HD PRO 76 2HD PRO 76 -10.599 -1.981 -15.325 371 H GLY 77 H GLY 77 -7.142 -6.361 -13.688 372 1HA GLY 77 1HA GLY 77 -5.497 -7.601 -14.584 373 2HA GLY 77 2HA GLY 77 -6.188 -7.258 -16.158 374 H ALA 78 H ALA 78 -4.696 -5.072 -13.669 375 HA ALA 78 HA ALA 78 -2.670 -4.388 -15.684 376 1HB ALA 78 1HB ALA 78 -3.362 -2.250 -15.690 377 2HB ALA 78 2HB ALA 78 -4.767 -2.744 -14.716 378 3HB ALA 78 3HB ALA 78 -3.282 -2.177 -13.913 379 H LEU 79 H LEU 79 -0.619 -4.676 -14.959 380 HA LEU 79 HA LEU 79 -0.272 -5.388 -12.187 381 2HB LEU 79 2HB LEU 79 2.119 -5.181 -13.849 382 HG LEU 79 HG LEU 79 2.439 -7.516 -13.293 383 1HD1 LEU 79 1HD1 LEU 79 1.541 -6.649 -10.637 384 2HD1 LEU 79 2HD1 LEU 79 3.169 -7.056 -11.230 385 3HD1 LEU 79 3HD1 LEU 79 2.501 -5.431 -11.511 386 1HD2 LEU 79 1HD2 LEU 79 -0.282 -7.443 -11.960 387 2HD2 LEU 79 2HD2 LEU 79 0.084 -8.230 -13.515 388 3HD2 LEU 79 3HD2 LEU 79 0.847 -8.818 -12.019 389 H VAL 80 H VAL 80 -0.754 -3.401 -11.106 390 HA VAL 80 HA VAL 80 0.690 -1.039 -11.803 391 HB VAL 80 HB VAL 80 -1.120 -1.850 -9.533 392 1HG1 VAL 80 1HG1 VAL 80 0.731 0.430 -9.692 393 2HG1 VAL 80 2HG1 VAL 80 -0.959 0.895 -9.383 394 3HG1 VAL 80 3HG1 VAL 80 -0.138 -0.250 -8.295 395 1HG2 VAL 80 1HG2 VAL 80 -2.747 -1.187 -10.902 396 2HG2 VAL 80 2HG2 VAL 80 -2.007 0.427 -11.022 397 3HG2 VAL 80 3HG2 VAL 80 -1.544 -0.852 -12.170 398 H GLU 81 H GLU 81 2.745 -2.625 -11.739 399 HA GLU 81 HA GLU 81 3.739 -2.810 -9.039 400 2HB GLU 81 2HB GLU 81 4.196 -4.773 -10.279 401 2HG GLU 81 2HG GLU 81 4.799 -2.838 -12.524 402 H ARG 82 H ARG 82 5.579 -1.677 -8.257 403 HA ARG 82 HA ARG 82 6.572 0.358 -10.082 404 2HB ARG 82 2HB ARG 82 6.602 1.991 -8.215 405 2HG ARG 82 2HG ARG 82 4.097 2.095 -7.743 406 2HD ARG 82 2HD ARG 82 5.381 1.969 -10.438 407 HE ARG 82 HE ARG 82 2.593 1.227 -10.143 408 1HH1 ARG 82 2HH2 ARG 82 4.794 3.114 -12.135 409 2HH1 ARG 82 1HH2 ARG 82 3.796 3.024 -13.548 410 1HH2 ARG 82 2HH1 ARG 82 1.275 1.107 -12.006 411 2HH2 ARG 82 1HH1 ARG 82 1.781 1.874 -13.474 412 HA PRO 83 HA PRO 83 9.940 -2.004 -8.089 413 2HB PRO 83 2HB PRO 83 10.014 -3.838 -9.479 414 2HG PRO 83 2HG PRO 83 8.703 -3.668 -11.368 415 2HD PRO 83 2HD PRO 83 7.148 -2.135 -10.650 416 H CYS 84 H CYS 84 11.013 -0.353 -7.138 417 HA CYS 84 HA CYS 84 12.489 1.259 -6.961 418 2HB CYS 84 2HB CYS 84 14.477 1.174 -8.157 419 HA PRO 85 HA PRO 85 10.907 4.598 -9.267 420 2HB PRO 85 2HB PRO 85 11.522 6.125 -7.658 421 2HG PRO 85 2HG PRO 85 13.261 5.449 -6.302 422 2HD PRO 85 2HD PRO 85 13.072 3.167 -6.505 423 H GLU 86 H GLU 86 14.129 5.717 -9.850 424 HA GLU 86 HA GLU 86 13.815 6.286 -12.417 425 2HB GLU 86 2HB GLU 86 16.419 4.967 -11.679 426 2HG GLU 86 2HG GLU 86 15.542 7.575 -12.993 427 H TYR 87 H TYR 87 14.732 5.194 -14.455 428 HA TYR 87 HA TYR 87 13.739 2.452 -14.488 429 2HB TYR 87 2HB TYR 87 14.763 4.187 -16.797 430 HD1 TYR 87 1HD TYR 87 14.967 1.412 -17.178 431 HD2 TYR 87 2HD TYR 87 11.418 3.797 -17.330 432 HE1 TYR 87 1HE TYR 87 13.860 -0.318 -18.677 433 HE2 TYR 87 2HE TYR 87 10.323 2.059 -18.828 434 HH TYR 87 HH TYR 87 10.700 -0.552 -19.127 435 H PHE 88 H PHE 88 16.595 4.382 -15.646 436 HA PHE 88 HA PHE 88 18.183 2.681 -16.777 437 2HB PHE 88 2HB PHE 88 18.527 5.035 -15.489 438 HD1 PHE 88 1HD PHE 88 17.667 4.875 -13.123 439 HD2 PHE 88 2HD PHE 88 21.367 3.173 -14.316 440 HE1 PHE 88 1HE PHE 88 18.399 4.782 -10.723 441 HE2 PHE 88 2HE PHE 88 22.098 3.080 -11.917 442 HZ PHE 88 HZ PHE 88 20.605 3.886 -10.149 443 H ASN 89 H ASN 89 17.541 2.585 -13.218 444 HA ASN 89 HA ASN 89 18.174 -0.207 -13.281 445 2HB ASN 89 2HB ASN 89 19.540 1.381 -11.097 446 1HD2 ASN 89 1HD2 ASN 89 18.437 -1.080 -10.873 447 2HD2 ASN 89 2HD2 ASN 89 19.647 -2.320 -10.869 448 H GLY 90 H GLY 90 17.992 2.481 -10.814 449 1HA GLY 90 1HA GLY 90 15.424 2.378 -10.016 450 2HA GLY 90 2HA GLY 90 16.104 0.973 -9.219 451 H ILE 91 H ILE 91 18.658 1.713 -8.484 452 HA ILE 91 HA ILE 91 18.095 3.518 -6.345 453 HB ILE 91 HB ILE 91 19.457 1.480 -6.114 454 2HG1 ILE 91 2HG1 ILE 91 20.766 4.122 -5.426 455 1HG2 ILE 91 1HG2 ILE 91 21.961 2.521 -7.085 456 2HG2 ILE 91 2HG2 ILE 91 21.147 0.984 -7.461 457 3HG2 ILE 91 3HG2 ILE 91 20.771 2.443 -8.408 458 1HD1 ILE 91 1HD1 ILE 91 18.909 4.136 -4.076 459 2HD1 ILE 91 2HD1 ILE 91 18.635 2.387 -4.268 460 3HD1 ILE 91 3HD1 ILE 91 19.855 2.976 -3.112 461 H LYS 92 H LYS 92 17.567 5.513 -7.377 462 HA LYS 92 HA LYS 92 19.677 7.264 -7.663 463 2HB LYS 92 2HB LYS 92 18.591 6.724 -10.411 464 2HG LYS 92 2HG LYS 92 20.152 8.726 -9.456 465 2HD LYS 92 2HD LYS 92 22.487 7.682 -10.560 466 2HE LYS 92 2HE LYS 92 23.201 7.514 -8.055 467 1HZ LYS 92 1HZ LYS 92 23.586 9.677 -8.220 468 2HZ LYS 92 2HZ LYS 92 22.860 9.609 -9.682 469 3HZ LYS 92 3HZ LYS 92 22.011 10.083 -8.369 470 H TYR 93 H TYR 93 17.157 7.046 -6.340 471 HA TYR 93 HA TYR 93 16.085 9.573 -7.004 472 2HB TYR 93 2HB TYR 93 13.829 7.763 -7.241 473 HD1 TYR 93 1HD TYR 93 12.895 10.046 -7.614 474 HD2 TYR 93 2HD TYR 93 15.672 8.271 -10.342 475 HE1 TYR 93 1HE TYR 93 12.243 11.741 -9.393 476 HE2 TYR 93 2HE TYR 93 15.010 9.973 -12.112 477 HH TYR 93 HH TYR 93 12.288 11.714 -12.007 478 H ASN 94 H ASN 94 14.025 10.000 -5.633 479 HA ASN 94 HA ASN 94 14.605 9.539 -3.038 480 2HB ASN 94 2HB ASN 94 12.983 11.195 -3.259 481 1HD2 ASN 94 1HD2 ASN 94 12.385 8.452 -5.355 482 2HD2 ASN 94 2HD2 ASN 94 11.479 9.274 -6.581 483 H THR 95 H THR 95 11.342 8.418 -3.847 484 HA THR 95 HA THR 95 10.252 6.519 -3.463 485 HB THR 95 HB THR 95 12.968 5.442 -4.358 486 HG1 THR 95 1HG THR 95 10.254 5.661 -5.459 487 1HG2 THR 95 1HG2 THR 95 10.314 3.929 -4.149 488 2HG2 THR 95 2HG2 THR 95 11.855 3.291 -4.771 489 3HG2 THR 95 3HG2 THR 95 11.684 3.677 -3.043 490 H THR 96 H THR 96 9.504 6.056 -1.502 491 HA THR 96 HA THR 96 11.361 5.906 0.705 492 HB THR 96 HB THR 96 8.314 5.755 0.430 493 HG1 THR 96 1HG THR 96 8.582 7.950 0.853 494 1HG2 THR 96 1HG2 THR 96 9.269 6.586 3.036 495 2HG2 THR 96 2HG2 THR 96 8.197 5.221 2.646 496 3HG2 THR 96 3HG2 THR 96 9.962 4.988 2.668 497 H ARG 97 H ARG 97 9.460 3.696 -1.332 498 HA ARG 97 HA ARG 97 11.045 1.563 -0.659 499 2HB ARG 97 2HB ARG 97 8.298 1.287 0.637 500 2HG ARG 97 2HG ARG 97 10.932 -0.237 0.909 501 2HD ARG 97 2HD ARG 97 9.238 -1.814 2.213 502 HE ARG 97 HE ARG 97 11.058 0.181 3.114 503 1HH1 ARG 97 2HH2 ARG 97 8.279 -1.612 4.317 504 2HH1 ARG 97 1HH2 ARG 97 8.783 -1.533 5.973 505 1HH2 ARG 97 2HH1 ARG 97 11.724 0.286 5.298 506 2HH2 ARG 97 1HH1 ARG 97 10.756 -0.447 6.534 507 H ASN 98 H ASN 98 10.751 0.017 -2.283 508 HA ASN 98 HA ASN 98 8.982 0.599 -4.326 509 2HB ASN 98 2HB ASN 98 9.852 -1.373 -5.389 510 1HD2 ASN 98 1HD2 ASN 98 11.826 -1.525 -2.499 511 2HD2 ASN 98 2HD2 ASN 98 13.221 -0.700 -3.111 512 H ALA 99 H ALA 99 7.576 -1.548 -5.187 513 HA ALA 99 HA ALA 99 6.392 -3.260 -3.416 514 1HB ALA 99 1HB ALA 99 5.628 -0.606 -2.815 515 2HB ALA 99 2HB ALA 99 4.237 -1.329 -3.658 516 3HB ALA 99 3HB ALA 99 4.895 -2.107 -2.199 517 H TYR 100 H TYR 100 4.140 -4.020 -4.327 518 HA TYR 100 HA TYR 100 3.905 -3.391 -7.167 519 2HB TYR 100 2HB TYR 100 3.872 -5.922 -7.555 520 HD1 TYR 100 1HD TYR 100 5.749 -3.607 -8.110 521 HD2 TYR 100 2HD TYR 100 6.318 -7.266 -5.966 522 HE1 TYR 100 1HE TYR 100 8.238 -3.527 -8.619 523 HE2 TYR 100 2HE TYR 100 8.805 -7.174 -6.483 524 HH TYR 100 HH TYR 100 10.380 -6.153 -7.558 525 H ARG 101 H ARG 101 1.801 -3.540 -7.943 526 HA ARG 101 HA ARG 101 -0.116 -4.727 -6.119 527 2HB ARG 101 2HB ARG 101 -1.410 -2.491 -7.346 528 2HG ARG 101 2HG ARG 101 -0.402 -2.158 -4.562 529 2HD ARG 101 2HD ARG 101 -2.862 -1.746 -6.149 530 HE ARG 101 HE ARG 101 -4.046 -3.266 -4.768 531 1HH1 ARG 101 2HH2 ARG 101 -2.039 -1.124 -2.829 532 2HH1 ARG 101 1HH2 ARG 101 -2.789 -1.566 -1.332 533 1HH2 ARG 101 2HH1 ARG 101 -5.036 -3.851 -2.794 534 2HH2 ARG 101 1HH1 ARG 101 -4.506 -3.128 -1.311 535 H GLU 102 H GLU 102 -1.555 -6.070 -7.199 536 HA GLU 102 HA GLU 102 -1.561 -5.807 -10.102 537 2HB GLU 102 2HB GLU 102 -1.947 -8.239 -8.310 538 2HG GLU 102 2HG GLU 102 -2.058 -8.144 -11.358 539 H CYS 103 H CYS 103 -3.584 -5.963 -11.245 540 HA CYS 103 HA CYS 103 -5.907 -5.663 -9.481 541 2HB CYS 103 2HB CYS 103 -6.474 -4.441 -11.960 542 H LEU 104 H LEU 104 -7.153 -7.493 -9.668 543 HA LEU 104 HA LEU 104 -6.804 -9.398 -11.650 544 2HB LEU 104 2HB LEU 104 -9.213 -10.039 -10.815 545 HG LEU 104 HG LEU 104 -6.615 -10.240 -9.378 546 1HD1 LEU 104 1HD1 LEU 104 -7.743 -11.441 -7.477 547 2HD1 LEU 104 2HD1 LEU 104 -7.953 -9.674 -7.494 548 3HD1 LEU 104 3HD1 LEU 104 -9.279 -10.731 -8.031 549 1HD2 LEU 104 1HD2 LEU 104 -7.491 -12.699 -9.360 550 2HD2 LEU 104 2HD2 LEU 104 -8.654 -12.095 -10.565 551 3HD2 LEU 104 3HD2 LEU 104 -6.905 -11.970 -10.875 552 H GLU 105 H GLU 105 -8.975 -10.144 -12.958 553 HA GLU 105 HA GLU 105 -9.301 -7.998 -14.819 554 2HB GLU 105 2HB GLU 105 -8.860 -10.349 -15.550 555 2HG GLU 105 2HG GLU 105 -11.750 -10.983 -14.914 556 H ASN 106 H ASN 106 -10.735 -8.641 -11.930 557 HA ASN 106 HA ASN 106 -13.425 -8.137 -12.878 558 2HB ASN 106 2HB ASN 106 -12.909 -8.366 -9.941 559 1HD2 ASN 106 1HD2 ASN 106 -14.004 -10.980 -11.941 560 2HD2 ASN 106 2HD2 ASN 106 -15.707 -10.820 -11.668 561 H GLY 107 H GLY 107 -10.690 -6.401 -12.189 562 1HA GLY 107 1HA GLY 107 -10.439 -4.158 -11.900 563 2HA GLY 107 2HA GLY 107 -12.151 -3.997 -11.562 564 H THR 108 H THR 108 -10.319 -6.471 -9.825 565 HA THR 108 HA THR 108 -10.551 -4.821 -7.401 566 HB THR 108 HB THR 108 -10.466 -7.146 -6.301 567 HG1 THR 108 1HG THR 108 -9.806 -8.613 -7.831 568 1HG2 THR 108 1HG2 THR 108 -12.711 -7.725 -7.978 569 2HG2 THR 108 2HG2 THR 108 -12.743 -6.965 -6.369 570 3HG2 THR 108 3HG2 THR 108 -12.644 -5.953 -7.830 571 H TRP 109 H TRP 109 -8.838 -4.802 -5.851 572 HA TRP 109 HA TRP 109 -6.288 -4.705 -7.126 573 2HB TRP 109 2HB TRP 109 -5.671 -4.321 -4.572 574 HD1 TRP 109 HD TRP 109 -7.826 -1.482 -4.518 575 HE1 TRP 109 1HE TRP 109 -6.969 0.633 -5.842 576 HE3 TRP 109 3HE TRP 109 -4.349 -3.965 -7.274 577 HZ2 TRP 109 2HZ TRP 109 -4.977 1.022 -7.848 578 HZ3 TRP 109 3HZ TRP 109 -2.990 -2.643 -8.894 579 HH2 TRP 109 HH TRP 109 -3.259 -0.234 -9.203 580 H ALA 110 H ALA 110 -4.501 -5.707 -5.248 581 HA ALA 110 HA ALA 110 -5.015 -8.570 -5.506 582 1HB ALA 110 1HB ALA 110 -2.640 -8.820 -5.369 583 2HB ALA 110 2HB ALA 110 -2.930 -7.426 -6.437 584 3HB ALA 110 3HB ALA 110 -2.430 -7.165 -4.749 585 H SER 111 H SER 111 -2.939 -9.105 -3.386 586 HA SER 111 HA SER 111 -4.798 -9.031 -1.211 587 2HB SER 111 2HB SER 111 -3.685 -11.116 -1.454 588 HG SER 111 HG SER 111 -1.661 -11.319 -2.143 589 H ARG 112 H ARG 112 -1.218 -8.383 -1.384 590 HA ARG 112 HA ARG 112 -1.735 -5.956 0.115 591 2HB ARG 112 2HB ARG 112 0.793 -7.203 0.927 592 2HG ARG 112 2HG ARG 112 -1.420 -5.705 2.058 593 2HD ARG 112 2HD ARG 112 -1.400 -8.378 2.993 594 HE ARG 112 HE ARG 112 0.548 -6.917 4.488 595 1HH1 ARG 112 2HH2 ARG 112 -2.298 -8.914 5.025 596 2HH1 ARG 112 1HH2 ARG 112 -1.776 -9.464 6.582 597 1HH2 ARG 112 2HH1 ARG 112 1.238 -7.643 6.541 598 2HH2 ARG 112 1HH1 ARG 112 0.250 -8.737 7.451 599 H VAL 113 H VAL 113 -0.049 -4.292 -0.174 600 HA VAL 113 HA VAL 113 1.544 -4.797 -2.587 601 HB VAL 113 HB VAL 113 -0.179 -3.097 -2.817 602 1HG1 VAL 113 1HG1 VAL 113 0.495 -2.429 -0.164 603 2HG1 VAL 113 2HG1 VAL 113 0.955 -1.020 -1.150 604 3HG1 VAL 113 3HG1 VAL 113 -0.711 -1.642 -1.210 605 1HG2 VAL 113 1HG2 VAL 113 2.560 -1.794 -2.676 606 2HG2 VAL 113 2HG2 VAL 113 2.018 -2.867 -3.988 607 3HG2 VAL 113 3HG2 VAL 113 1.189 -1.318 -3.706 608 H ASN 114 H ASN 114 3.606 -5.336 -2.077 609 HA ASN 114 HA ASN 114 5.262 -3.561 -0.823 610 2HB ASN 114 2HB ASN 114 4.011 -4.235 1.268 611 1HD2 ASN 114 1HD2 ASN 114 6.432 -6.692 1.368 612 2HD2 ASN 114 2HD2 ASN 114 5.401 -8.075 1.532 613 H TYR 115 H TYR 115 7.182 -4.141 -1.851 614 HA TYR 115 HA TYR 115 8.168 -6.806 -1.716 615 2HB TYR 115 2HB TYR 115 8.174 -6.916 -4.332 616 HD1 TYR 115 1HD TYR 115 7.445 -9.111 -3.292 617 HD2 TYR 115 2HD TYR 115 4.739 -5.858 -3.925 618 HE1 TYR 115 1HE TYR 115 5.473 -10.702 -3.081 619 HE2 TYR 115 2HE TYR 115 2.776 -7.460 -3.712 620 HH TYR 115 HH TYR 115 3.331 -10.928 -3.154 621 H SER 116 H SER 116 10.282 -6.408 -1.307 622 HA SER 116 HA SER 116 11.424 -3.951 -2.121 623 2HB SER 116 2HB SER 116 13.561 -5.159 -1.172 624 HG SER 116 HG SER 116 11.638 -3.789 -0.019 625 H HIS 117 H HIS 117 13.397 -6.887 -2.401 626 HA HIS 117 HA HIS 117 14.620 -7.678 -4.046 627 2HB HIS 117 2HB HIS 117 12.652 -7.162 -6.188 628 HD1 HIS 117 1HD HIS 117 14.449 -9.779 -4.052 629 HD2 HIS 117 2HD HIS 117 12.914 -9.281 -7.923 630 HE1 HIS 117 1HE HIS 117 15.168 -11.838 -5.376 631 H CYS 118 H CYS 118 14.346 -4.596 -3.546 632 HA CYS 118 HA CYS 118 15.691 -3.847 -6.040 633 2HB CYS 118 2HB CYS 118 14.093 -1.984 -4.277 634 H GLU 119 H GLU 119 15.345 -3.419 -2.466 635 HA GLU 119 HA GLU 119 17.379 -1.737 -1.969 636 2HB GLU 119 2HB GLU 119 17.410 -3.926 -0.032 637 2HG GLU 119 2HG GLU 119 15.930 -1.313 0.306 638 HA PRO 120 HA PRO 120 20.393 -5.405 -2.166 639 2HB PRO 120 2HB PRO 120 19.573 -7.470 -1.565 640 2HG PRO 120 2HG PRO 120 17.279 -7.672 -1.695 641 2HD PRO 120 2HD PRO 120 16.664 -5.466 -1.489 642 H ILE 121 H ILE 121 20.321 -3.397 -3.804 643 HA ILE 121 HA ILE 121 20.522 -4.530 -6.485 644 HB ILE 121 HB ILE 121 19.097 -2.589 -6.186 645 2HG1 ILE 121 2HG1 ILE 121 20.798 -3.014 -8.210 646 1HG2 ILE 121 1HG2 ILE 121 21.124 -0.567 -5.776 647 2HG2 ILE 121 2HG2 ILE 121 19.600 -0.851 -4.899 648 3HG2 ILE 121 3HG2 ILE 121 21.081 -1.710 -4.412 649 1HD1 ILE 121 1HD1 ILE 121 18.840 -2.115 -8.991 650 2HD1 ILE 121 2HD1 ILE 121 18.701 -0.983 -7.625 651 3HD1 ILE 121 3HD1 ILE 121 19.765 -0.595 -8.997 652 H LEU 122 H LEU 122 22.494 -5.626 -5.081 653 HA LEU 122 HA LEU 122 24.686 -5.659 -4.610 654 2HB LEU 122 2HB LEU 122 25.200 -4.475 -7.293 655 HG LEU 122 HG LEU 122 26.371 -6.566 -5.615 656 1HD1 LEU 122 1HD1 LEU 122 26.991 -8.028 -7.568 657 2HD1 LEU 122 2HD1 LEU 122 25.296 -8.144 -7.033 658 3HD1 LEU 122 3HD1 LEU 122 25.706 -7.213 -8.494 659 1HD2 LEU 122 1HD2 LEU 122 28.087 -5.267 -6.168 660 2HD2 LEU 122 2HD2 LEU 122 28.041 -6.019 -7.781 661 3HD2 LEU 122 3HD2 LEU 122 27.170 -4.495 -7.484 662 H ASP 123 H ASP 123 23.657 -3.476 -3.315 663 HA ASP 123 HA ASP 123 25.903 -1.935 -2.961 664 2HB ASP 123 2HB ASP 123 23.683 -0.490 -4.484 665 H ASP 124 H ASP 124 25.296 -2.341 -0.747 666 HA ASP 124 HA ASP 124 23.579 -0.483 0.384 667 2HB ASP 124 2HB ASP 124 22.531 -3.348 0.230 668 H LYS 125 H LYS 125 23.273 -1.115 2.876 669 HA LYS 125 HA LYS 125 25.502 -2.844 3.687 670 2HB LYS 125 2HB LYS 125 24.774 -0.112 4.780 671 2HG LYS 125 2HG LYS 125 27.178 -0.987 5.925 672 2HD LYS 125 2HD LYS 125 25.502 -1.411 7.972 673 2HE LYS 125 2HE LYS 125 26.877 0.812 6.973 674 1HZ LYS 125 1HZ LYS 125 24.321 1.299 6.369 675 2HZ LYS 125 2HZ LYS 125 24.435 1.999 7.840 676 3HZ LYS 125 3HZ LYS 125 25.444 2.453 6.640 677 H GLN 126 H GLN 126 24.935 -4.439 5.078 678 HA GLN 126 HA GLN 126 22.381 -5.063 5.600 679 2HB GLN 126 2HB GLN 126 24.274 -6.596 5.956 680 2HG GLN 126 2HG GLN 126 24.854 -5.529 8.682 681 1HE2 GLN 126 1HE2 GLN 126 27.334 -5.006 6.541 682 2HE2 GLN 126 2HE2 GLN 126 28.178 -6.514 6.647 683 H ARG 127 H ARG 127 21.345 -5.265 7.930 684 HA ARG 127 HA ARG 127 21.847 -2.796 9.370 685 2HB ARG 127 2HB ARG 127 19.079 -3.896 8.660 686 2HG ARG 127 2HG ARG 127 19.575 -1.130 9.743 687 2HD ARG 127 2HD ARG 127 17.316 -2.604 9.035 688 HE ARG 127 HE ARG 127 16.760 -3.844 10.926 689 1HH1 ARG 127 2HH2 ARG 127 18.436 -0.928 11.964 690 2HH1 ARG 127 1HH2 ARG 127 18.251 -1.269 13.652 691 1HH2 ARG 127 2HH1 ARG 127 16.515 -4.294 13.153 692 2HH2 ARG 127 1HH1 ARG 127 17.151 -3.196 14.333 693 H LYS 128 H LYS 128 23.035 -4.956 10.359 694 HA LYS 128 HA LYS 128 23.075 -6.587 11.886 695 2HB LYS 128 2HB LYS 128 23.316 -4.716 13.315 696 2HG LYS 128 2HG LYS 128 20.276 -4.465 13.156 697 2HD LYS 128 2HD LYS 128 22.328 -3.031 14.903 698 2HE LYS 128 2HE LYS 128 19.427 -2.335 15.071 699 1HZ LYS 128 1HZ LYS 128 20.425 -0.768 16.221 700 2HZ LYS 128 2HZ LYS 128 21.910 -1.288 15.787 701 3HZ LYS 128 3HZ LYS 128 21.130 -0.186 14.867 702 H TYR 129 H TYR 129 21.865 -8.145 10.606 703 HA TYR 129 HA TYR 129 19.123 -8.507 11.608 704 2HB TYR 129 2HB TYR 129 20.604 -9.279 9.019 705 HD1 TYR 129 1HD TYR 129 20.015 -11.535 8.588 706 HD2 TYR 129 2HD TYR 129 16.985 -8.735 9.719 707 HE1 TYR 129 1HE TYR 129 18.217 -13.238 8.015 708 HE2 TYR 129 2HE TYR 129 15.197 -10.447 9.142 709 HH TYR 129 HH TYR 129 14.890 -12.695 8.846 710 H ASP 130 H ASP 130 18.526 -10.498 12.459 711 HA ASP 130 HA ASP 130 19.764 -12.863 12.011 712 2HB ASP 130 2HB ASP 130 21.813 -12.328 13.014 713 H LEU 131 H LEU 131 19.038 -14.544 13.723 714 HA LEU 131 HA LEU 131 17.319 -13.676 15.810 715 2HB LEU 131 2HB LEU 131 15.809 -15.208 13.759 716 HG LEU 131 HG LEU 131 15.054 -14.189 16.156 717 1HD1 LEU 131 1HD1 LEU 131 14.656 -12.009 14.120 718 2HD1 LEU 131 2HD1 LEU 131 13.535 -12.206 15.489 719 3HD1 LEU 131 3HD1 LEU 131 15.263 -11.904 15.790 720 1HD2 LEU 131 1HD2 LEU 131 13.878 -15.584 14.158 721 2HD2 LEU 131 2HD2 LEU 131 13.028 -15.013 15.614 722 3HD2 LEU 131 3HD2 LEU 131 12.928 -14.081 14.101 723 H HIS 132 H HIS 132 17.924 -15.079 17.362 724 HA HIS 132 HA HIS 132 17.463 -17.787 17.165 725 2HB HIS 132 2HB HIS 132 20.390 -17.675 17.259 726 HD1 HIS 132 1HD HIS 132 18.786 -18.944 14.157 727 HD2 HIS 132 2HD HIS 132 19.727 -20.403 17.976 728 HE1 HIS 132 1HE HIS 132 18.591 -21.485 14.020 729 HE2 HIS 132 2HE HIS 132 19.234 -22.327 16.381 730 H TYR 133 H TYR 133 17.240 -18.482 19.246 731 HA TYR 133 HA TYR 133 17.034 -18.056 21.467 732 2HB TYR 133 2HB TYR 133 19.902 -18.572 20.597 733 HD1 TYR 133 1HD TYR 133 21.737 -17.822 21.789 734 HD2 TYR 133 2HD TYR 133 18.095 -18.598 23.897 735 HE1 TYR 133 1HE TYR 133 22.864 -17.202 23.982 736 HE2 TYR 133 2HE TYR 133 19.235 -17.977 26.082 737 HH TYR 133 HH TYR 133 21.684 -16.242 26.405 Start of MODEL 10 1 1H GLY 15 H GLY 15 -4.720 20.903 -59.791 2 1HA GLY 15 1HA GLY 15 -4.224 18.674 -60.312 3 2HA GLY 15 2HA GLY 15 -2.685 19.371 -59.848 4 H SER 16 H SER 16 -5.620 17.951 -58.225 5 HA SER 16 HA SER 16 -4.247 15.834 -57.142 6 2HB SER 16 2HB SER 16 -4.548 16.853 -54.641 7 HG SER 16 HG SER 16 -2.402 16.674 -54.597 8 H GLY 17 H GLY 17 -6.650 18.329 -56.004 9 1HA GLY 17 1HA GLY 17 -8.761 18.099 -55.240 10 2HA GLY 17 2HA GLY 17 -8.968 17.075 -56.647 11 H MET 18 H MET 18 -10.035 15.235 -56.059 12 HA MET 18 HA MET 18 -10.602 13.437 -54.976 13 2HB MET 18 2HB MET 18 -8.685 12.221 -53.714 14 2HG MET 18 2HG MET 18 -7.725 13.210 -56.418 15 1HE MET 18 1HE MET 18 -8.596 9.282 -56.532 16 2HE MET 18 2HE MET 18 -8.429 10.642 -57.669 17 3HE MET 18 3HE MET 18 -7.099 9.473 -57.476 18 H LYS 19 H LYS 19 -12.117 14.683 -53.642 19 HA LYS 19 HA LYS 19 -11.753 14.189 -50.897 20 2HB LYS 19 2HB LYS 19 -10.235 16.130 -51.073 21 2HG LYS 19 2HG LYS 19 -12.439 17.194 -52.648 22 2HD LYS 19 2HD LYS 19 -11.871 19.561 -51.351 23 2HE LYS 19 2HE LYS 19 -14.189 18.981 -50.122 24 1HZ LYS 19 1HZ LYS 19 -15.163 19.855 -51.948 25 2HZ LYS 19 2HZ LYS 19 -13.616 20.239 -52.306 26 3HZ LYS 19 3HZ LYS 19 -14.324 18.950 -53.017 27 H GLU 20 H GLU 20 -13.751 14.102 -49.901 28 HA GLU 20 HA GLU 20 -15.908 15.644 -50.754 29 2HB GLU 20 2HB GLU 20 -15.969 14.242 -52.733 30 2HG GLU 20 2HG GLU 20 -16.588 11.668 -51.556 31 H THR 21 H THR 21 -18.053 14.718 -49.700 32 HA THR 21 HA THR 21 -18.831 14.551 -47.548 33 HB THR 21 HB THR 21 -19.663 12.551 -48.477 34 HG1 THR 21 1HG THR 21 -19.414 12.167 -46.214 35 1HG2 THR 21 1HG2 THR 21 -18.076 11.646 -49.952 36 2HG2 THR 21 2HG2 THR 21 -16.737 11.869 -48.802 37 3HG2 THR 21 3HG2 THR 21 -17.885 10.527 -48.582 38 H ALA 22 H ALA 22 -16.653 11.852 -46.911 39 HA ALA 22 HA ALA 22 -14.900 11.650 -45.542 40 1HB ALA 22 1HB ALA 22 -13.522 13.451 -45.028 41 2HB ALA 22 2HB ALA 22 -14.381 14.079 -46.455 42 3HB ALA 22 3HB ALA 22 -14.888 14.574 -44.822 43 H ALA 23 H ALA 23 -17.000 14.329 -44.249 44 HA ALA 23 HA ALA 23 -18.340 12.724 -42.426 45 1HB ALA 23 1HB ALA 23 -16.765 14.183 -40.552 46 2HB ALA 23 2HB ALA 23 -16.873 12.418 -40.754 47 3HB ALA 23 3HB ALA 23 -15.634 13.341 -41.639 48 H ALA 24 H ALA 24 -19.268 14.284 -40.552 49 HA ALA 24 HA ALA 24 -19.288 17.039 -41.044 50 1HB ALA 24 1HB ALA 24 -20.449 16.440 -43.117 51 2HB ALA 24 2HB ALA 24 -21.632 15.476 -42.202 52 3HB ALA 24 3HB ALA 24 -21.576 17.244 -41.999 53 H LYS 25 H LYS 25 -18.901 16.680 -38.724 54 HA LYS 25 HA LYS 25 -21.443 16.528 -37.321 55 2HB LYS 25 2HB LYS 25 -20.495 14.220 -37.334 56 2HG LYS 25 2HG LYS 25 -18.449 14.976 -35.308 57 2HD LYS 25 2HD LYS 25 -17.323 13.334 -37.276 58 2HE LYS 25 2HE LYS 25 -17.835 11.473 -35.658 59 1HZ LYS 25 1HZ LYS 25 -17.128 13.116 -33.668 60 2HZ LYS 25 2HZ LYS 25 -16.090 12.456 -34.742 61 3HZ LYS 25 3HZ LYS 25 -16.652 13.971 -34.975 62 H PHE 26 H PHE 26 -20.804 16.976 -34.793 63 HA PHE 26 HA PHE 26 -19.462 19.526 -34.946 64 2HB PHE 26 2HB PHE 26 -20.390 19.706 -32.627 65 HD1 PHE 26 1HD PHE 26 -22.924 17.391 -32.880 66 HD2 PHE 26 2HD PHE 26 -21.524 20.909 -34.795 67 HE1 PHE 26 1HE PHE 26 -25.230 17.824 -33.769 68 HE2 PHE 26 2HE PHE 26 -23.831 21.343 -35.684 69 HZ PHE 26 HZ PHE 26 -25.656 19.795 -35.160 70 H GLU 27 H GLU 27 -18.066 20.086 -32.867 71 HA GLU 27 HA GLU 27 -16.007 18.060 -32.836 72 2HB GLU 27 2HB GLU 27 -15.579 20.651 -31.418 73 2HG GLU 27 2HG GLU 27 -13.986 18.601 -32.467 74 H ARG 28 H ARG 28 -15.500 16.830 -31.044 75 HA ARG 28 HA ARG 28 -16.972 17.533 -28.631 76 2HB ARG 28 2HB ARG 28 -16.151 14.789 -28.510 77 2HG ARG 28 2HG ARG 28 -18.675 14.416 -28.804 78 2HD ARG 28 2HD ARG 28 -17.498 16.348 -26.778 79 HE ARG 28 HE ARG 28 -20.199 16.428 -27.319 80 1HH1 ARG 28 2HH2 ARG 28 -18.328 15.158 -24.623 81 2HH1 ARG 28 1HH2 ARG 28 -19.583 15.425 -23.459 82 1HH2 ARG 28 2HH1 ARG 28 -21.855 16.781 -25.784 83 2HH2 ARG 28 1HH1 ARG 28 -21.602 16.355 -24.124 84 H GLN 29 H GLN 29 -15.830 17.450 -26.614 85 HA GLN 29 HA GLN 29 -12.965 16.991 -26.924 86 2HB GLN 29 2HB GLN 29 -13.791 18.786 -24.715 87 2HG GLN 29 2HG GLN 29 -11.487 18.247 -26.265 88 1HE2 GLN 29 1HE2 GLN 29 -12.740 21.527 -25.741 89 2HE2 GLN 29 2HE2 GLN 29 -12.338 22.173 -27.298 90 H HIS 30 H HIS 30 -15.199 17.561 -24.114 91 HA HIS 30 HA HIS 30 -15.693 16.330 -22.362 92 2HB HIS 30 2HB HIS 30 -14.489 13.920 -23.738 93 HD1 HIS 30 1HD HIS 30 -17.435 12.571 -23.233 94 HD2 HIS 30 2HD HIS 30 -14.833 14.221 -20.386 95 HE1 HIS 30 1HE HIS 30 -18.047 11.499 -21.000 96 H MET 31 H MET 31 -13.749 17.900 -21.796 97 HA MET 31 HA MET 31 -12.224 16.575 -19.929 98 2HB MET 31 2HB MET 31 -10.968 15.694 -21.904 99 2HG MET 31 2HG MET 31 -9.918 18.418 -22.592 100 1HE MET 31 1HE MET 31 -7.726 17.445 -24.358 101 2HE MET 31 2HE MET 31 -8.646 17.668 -25.865 102 3HE MET 31 3HE MET 31 -8.929 18.751 -24.481 103 H ASP 32 H ASP 32 -12.204 18.169 -18.408 104 HA ASP 32 HA ASP 32 -11.838 20.882 -19.393 105 2HB ASP 32 2HB ASP 32 -13.388 21.529 -17.857 106 H SER 33 H SER 33 -9.570 21.195 -19.323 107 HA SER 33 HA SER 33 -7.573 21.449 -18.515 108 2HB SER 33 2HB SER 33 -7.451 21.630 -15.857 109 HG SER 33 HG SER 33 -9.147 23.654 -16.769 110 HA PRO 34 HA PRO 34 -6.132 17.468 -17.503 111 2HB PRO 34 2HB PRO 34 -4.129 17.833 -18.576 112 2HG PRO 34 2HG PRO 34 -3.551 20.053 -18.811 113 2HD PRO 34 2HD PRO 34 -5.629 21.029 -18.700 114 H ASP 35 H ASP 35 -4.164 16.593 -15.737 115 HA ASP 35 HA ASP 35 -5.194 17.571 -13.210 116 2HB ASP 35 2HB ASP 35 -5.796 15.445 -12.408 117 H LEU 36 H LEU 36 -3.411 18.023 -11.902 118 HA LEU 36 HA LEU 36 -1.288 16.282 -11.519 119 2HB LEU 36 2HB LEU 36 0.231 18.286 -12.747 120 HG LEU 36 HG LEU 36 -0.255 15.400 -13.220 121 1HD1 LEU 36 1HD1 LEU 36 1.023 15.414 -15.348 122 2HD1 LEU 36 2HD1 LEU 36 -0.584 16.170 -15.479 123 3HD1 LEU 36 3HD1 LEU 36 0.874 17.188 -15.390 124 1HD2 LEU 36 1HD2 LEU 36 1.912 15.179 -12.624 125 2HD2 LEU 36 2HD2 LEU 36 2.423 16.640 -13.503 126 3HD2 LEU 36 3HD2 LEU 36 1.643 16.787 -11.910 127 H GLY 37 H GLY 37 -1.462 16.753 -9.357 128 1HA GLY 37 1HA GLY 37 -0.561 19.418 -8.560 129 2HA GLY 37 2HA GLY 37 -2.144 18.909 -8.008 130 H THR 38 H THR 38 1.036 17.188 -8.431 131 HA THR 38 HA THR 38 2.026 15.684 -7.089 132 HB THR 38 HB THR 38 2.751 16.746 -4.947 133 HG1 THR 38 1HG THR 38 0.679 17.636 -4.348 134 1HG2 THR 38 1HG2 THR 38 2.370 18.881 -7.111 135 2HG2 THR 38 2HG2 THR 38 3.576 18.903 -5.802 136 3HG2 THR 38 3HG2 THR 38 3.700 17.697 -7.105 137 H THR 39 H THR 39 1.835 15.035 -4.371 138 HA THR 39 HA THR 39 -0.945 14.093 -4.157 139 HB THR 39 HB THR 39 1.515 12.422 -3.469 140 HG1 THR 39 1HG THR 39 1.201 11.602 -5.658 141 1HG2 THR 39 1HG2 THR 39 -0.422 11.342 -2.597 142 2HG2 THR 39 2HG2 THR 39 -1.453 11.928 -3.923 143 3HG2 THR 39 3HG2 THR 39 -0.273 10.629 -4.221 144 H LEU 40 H LEU 40 -0.267 16.430 -2.944 145 HA LEU 40 HA LEU 40 0.979 16.407 -0.543 146 2HB LEU 40 2HB LEU 40 0.050 18.375 -1.626 147 HG LEU 40 HG LEU 40 -2.438 17.033 -1.582 148 1HD1 LEU 40 1HD1 LEU 40 -3.005 17.693 0.596 149 2HD1 LEU 40 2HD1 LEU 40 -2.315 19.320 0.382 150 3HD1 LEU 40 3HD1 LEU 40 -3.817 18.873 -0.462 151 1HD2 LEU 40 1HD2 LEU 40 -3.009 19.600 -2.370 152 2HD2 LEU 40 2HD2 LEU 40 -1.253 19.496 -2.646 153 3HD2 LEU 40 3HD2 LEU 40 -2.345 18.317 -3.410 154 H LEU 41 H LEU 41 0.876 14.976 1.098 155 HA LEU 41 HA LEU 41 0.049 13.323 2.361 156 2HB LEU 41 2HB LEU 41 -0.879 14.322 4.099 157 HG LEU 41 HG LEU 41 -0.924 16.667 2.205 158 1HD1 LEU 41 1HD1 LEU 41 -1.325 17.392 4.998 159 2HD1 LEU 41 2HD1 LEU 41 -2.164 17.954 3.533 160 3HD1 LEU 41 3HD1 LEU 41 -2.686 16.456 4.338 161 1HD2 LEU 41 1HD2 LEU 41 0.661 17.287 4.366 162 2HD2 LEU 41 2HD2 LEU 41 0.933 15.539 4.170 163 3HD2 LEU 41 3HD2 LEU 41 1.227 16.643 2.805 164 H GLU 42 H GLU 42 -0.738 13.130 -0.454 165 HA GLU 42 HA GLU 42 -2.300 12.303 -1.777 166 2HB GLU 42 2HB GLU 42 -1.247 10.295 -0.888 167 2HG GLU 42 2HG GLU 42 -2.610 9.108 1.030 168 H GLN 43 H GLN 43 -3.597 14.390 -0.851 169 HA GLN 43 HA GLN 43 -5.604 14.276 0.871 170 2HB GLN 43 2HB GLN 43 -5.018 16.254 -0.509 171 2HG GLN 43 2HG GLN 43 -6.448 16.280 -2.766 172 1HE2 GLN 43 1HE2 GLN 43 -5.188 16.543 -4.552 173 2HE2 GLN 43 2HE2 GLN 43 -3.466 16.358 -4.568 174 H TYR 44 H TYR 44 -5.395 12.529 -2.196 175 HA TYR 44 HA TYR 44 -7.415 10.744 -1.511 176 2HB TYR 44 2HB TYR 44 -8.413 12.236 -3.878 177 HD1 TYR 44 1HD TYR 44 -10.743 11.998 -4.150 178 HD2 TYR 44 2HD TYR 44 -8.992 11.304 -0.308 179 HE1 TYR 44 1HE TYR 44 -12.960 11.091 -3.295 180 HE2 TYR 44 2HE TYR 44 -11.215 10.399 0.533 181 HH TYR 44 HH TYR 44 -13.210 9.694 -0.064 182 H CYS 45 H CYS 45 -6.157 12.530 -4.420 183 HA CYS 45 HA CYS 45 -4.980 11.811 -6.140 184 2HB CYS 45 2HB CYS 45 -3.600 9.998 -6.040 185 H HIS 46 H HIS 46 -7.481 12.171 -6.726 186 HA HIS 46 HA HIS 46 -8.236 9.801 -8.235 187 2HB HIS 46 2HB HIS 46 -9.762 11.023 -6.023 188 HD1 HIS 46 1HD HIS 46 -12.352 11.199 -5.983 189 HD2 HIS 46 2HD HIS 46 -10.745 10.481 -9.791 190 HE1 HIS 46 1HE HIS 46 -14.250 11.586 -7.644 191 H ARG 47 H ARG 47 -7.521 10.795 -10.153 192 HA ARG 47 HA ARG 47 -7.774 13.358 -10.856 193 2HB ARG 47 2HB ARG 47 -6.633 12.152 -12.477 194 2HG ARG 47 2HG ARG 47 -8.172 9.971 -13.344 195 2HD ARG 47 2HD ARG 47 -6.520 8.761 -11.584 196 HE ARG 47 HE ARG 47 -4.882 9.925 -13.627 197 1HH1 ARG 47 2HH2 ARG 47 -7.802 7.994 -13.274 198 2HH1 ARG 47 1HH2 ARG 47 -7.625 7.214 -14.810 199 1HH2 ARG 47 2HH1 ARG 47 -4.648 8.896 -15.654 200 2HH2 ARG 47 1HH1 ARG 47 -5.819 7.731 -16.172 201 H THR 48 H THR 48 -10.053 10.858 -12.204 202 HA THR 48 HA THR 48 -12.360 12.361 -11.423 203 HB THR 48 HB THR 48 -12.410 12.168 -14.348 204 HG1 THR 48 1HG THR 48 -10.614 13.599 -14.666 205 1HG2 THR 48 1HG2 THR 48 -13.036 14.504 -14.209 206 2HG2 THR 48 2HG2 THR 48 -13.795 13.716 -12.806 207 3HG2 THR 48 3HG2 THR 48 -12.306 14.668 -12.594 208 H THR 49 H THR 49 -11.227 10.006 -13.945 209 HA THR 49 HA THR 49 -12.330 8.151 -14.664 210 HB THR 49 HB THR 49 -10.661 7.674 -12.702 211 HG1 THR 49 1HG THR 49 -11.242 5.500 -13.092 212 1HG2 THR 49 1HG2 THR 49 -13.037 8.086 -11.172 213 2HG2 THR 49 2HG2 THR 49 -12.772 6.327 -11.200 214 3HG2 THR 49 3HG2 THR 49 -11.497 7.409 -10.592 215 H ILE 50 H ILE 50 -14.289 10.004 -14.564 216 HA ILE 50 HA ILE 50 -16.469 10.287 -14.360 217 HB ILE 50 HB ILE 50 -16.067 7.715 -15.204 218 2HG1 ILE 50 2HG1 ILE 50 -17.552 9.458 -16.164 219 1HG2 ILE 50 1HG2 ILE 50 -18.319 7.408 -13.254 220 2HG2 ILE 50 2HG2 ILE 50 -17.311 6.173 -14.044 221 3HG2 ILE 50 3HG2 ILE 50 -16.646 7.141 -12.707 222 1HD1 ILE 50 1HD1 ILE 50 -19.590 7.492 -16.183 223 2HD1 ILE 50 2HD1 ILE 50 -18.278 7.685 -17.372 224 3HD1 ILE 50 3HD1 ILE 50 -18.067 6.592 -15.983 225 H GLY 51 H GLY 51 -18.414 10.112 -12.846 226 1HA GLY 51 1HA GLY 51 -17.394 10.168 -10.095 227 2HA GLY 51 2HA GLY 51 -18.854 10.926 -10.697 228 H ASN 52 H ASN 52 -20.717 9.970 -10.025 229 HA ASN 52 HA ASN 52 -22.120 8.487 -9.296 230 2HB ASN 52 2HB ASN 52 -20.568 6.360 -10.850 231 1HD2 ASN 52 1HD2 ASN 52 -23.667 7.147 -11.873 232 2HD2 ASN 52 2HD2 ASN 52 -24.578 5.908 -11.075 233 H PHE 53 H PHE 53 -19.365 8.848 -7.961 234 HA PHE 53 HA PHE 53 -18.044 7.905 -6.439 235 2HB PHE 53 2HB PHE 53 -19.350 7.221 -4.515 236 HD1 PHE 53 1HD PHE 53 -19.279 9.834 -6.178 237 HD2 PHE 53 2HD PHE 53 -22.444 7.537 -4.529 238 HE1 PHE 53 1HE PHE 53 -20.706 11.895 -6.045 239 HE2 PHE 53 2HE PHE 53 -23.871 9.598 -4.396 240 HZ PHE 53 HZ PHE 53 -22.985 11.752 -5.156 241 H SER 54 H SER 54 -17.768 6.420 -8.752 242 HA SER 54 HA SER 54 -16.558 4.204 -8.022 243 2HB SER 54 2HB SER 54 -18.633 2.562 -8.880 244 HG SER 54 HG SER 54 -18.074 1.635 -7.041 245 H GLY 55 H GLY 55 -19.291 4.918 -10.323 246 1HA GLY 55 1HA GLY 55 -18.825 5.610 -12.553 247 2HA GLY 55 2HA GLY 55 -17.364 4.642 -12.541 248 HA PRO 56 HA PRO 56 -20.894 2.197 -14.255 249 2HB PRO 56 2HB PRO 56 -21.510 3.350 -16.150 250 2HG PRO 56 2HG PRO 56 -20.108 5.091 -16.717 251 2HD PRO 56 2HD PRO 56 -19.182 5.553 -14.665 252 H TYR 57 H TYR 57 -17.980 2.111 -16.251 253 HA TYR 57 HA TYR 57 -17.848 -0.606 -16.474 254 2HB TYR 57 2HB TYR 57 -15.624 1.497 -16.092 255 HD1 TYR 57 1HD TYR 57 -13.742 0.196 -15.455 256 HD2 TYR 57 2HD TYR 57 -16.170 -1.054 -18.748 257 HE1 TYR 57 1HE TYR 57 -12.009 -1.558 -16.076 258 HE2 TYR 57 2HE TYR 57 -14.429 -2.804 -19.357 259 HH TYR 57 HH TYR 57 -11.740 -2.903 -18.896 260 H THR 58 H THR 58 -15.834 -1.934 -15.553 261 HA THR 58 HA THR 58 -16.064 -1.735 -12.629 262 HB THR 58 HB THR 58 -15.474 -4.046 -14.550 263 HG1 THR 58 1HG THR 58 -17.689 -3.899 -14.355 264 1HG2 THR 58 1HG2 THR 58 -14.285 -4.752 -12.629 265 2HG2 THR 58 2HG2 THR 58 -15.317 -3.808 -11.529 266 3HG2 THR 58 3HG2 THR 58 -15.931 -5.313 -12.252 267 H TYR 59 H TYR 59 -14.449 0.190 -13.293 268 HA TYR 59 HA TYR 59 -11.762 -0.739 -13.706 269 2HB TYR 59 2HB TYR 59 -12.430 1.996 -12.621 270 HD1 TYR 59 1HD TYR 59 -10.504 3.243 -12.902 271 HD2 TYR 59 2HD TYR 59 -11.550 0.378 -15.902 272 HE1 TYR 59 1HE TYR 59 -8.455 3.903 -14.256 273 HE2 TYR 59 2HE TYR 59 -9.498 1.047 -17.246 274 HH TYR 59 HH TYR 59 -7.897 3.797 -16.839 275 H CYS 60 H CYS 60 -9.993 0.159 -12.156 276 HA CYS 60 HA CYS 60 -10.627 -0.894 -9.568 277 2HB CYS 60 2HB CYS 60 -8.161 -0.234 -9.165 278 H ASN 61 H ASN 61 -10.269 0.359 -7.548 279 HA ASN 61 HA ASN 61 -10.975 3.135 -7.993 280 2HB ASN 61 2HB ASN 61 -11.031 1.565 -5.367 281 1HD2 ASN 61 1HD2 ASN 61 -12.411 2.490 -3.813 282 2HD2 ASN 61 2HD2 ASN 61 -12.779 4.183 -3.801 283 H THR 62 H THR 62 -10.041 4.641 -6.092 284 HA THR 62 HA THR 62 -7.167 4.101 -5.969 285 HB THR 62 HB THR 62 -8.211 6.261 -6.940 286 HG1 THR 62 1HG THR 62 -6.568 7.484 -5.559 287 1HG2 THR 62 1HG2 THR 62 -8.275 7.390 -4.192 288 2HG2 THR 62 2HG2 THR 62 -9.340 7.734 -5.577 289 3HG2 THR 62 3HG2 THR 62 -9.647 6.313 -4.549 290 H THR 63 H THR 63 -5.983 3.998 -4.077 291 HA THR 63 HA THR 63 -7.037 4.607 -1.552 292 HB THR 63 HB THR 63 -7.640 1.906 -2.679 293 HG1 THR 63 1HG THR 63 -9.375 2.317 -1.197 294 1HG2 THR 63 1HG2 THR 63 -5.870 1.303 -1.003 295 2HG2 THR 63 2HG2 THR 63 -6.708 2.294 0.215 296 3HG2 THR 63 3HG2 THR 63 -7.490 0.833 -0.434 297 H LEU 64 H LEU 64 -5.548 4.012 0.210 298 HA LEU 64 HA LEU 64 -2.850 3.858 -0.885 299 2HB LEU 64 2HB LEU 64 -3.339 5.775 0.483 300 HG LEU 64 HG LEU 64 -4.982 4.311 2.048 301 1HD1 LEU 64 1HD1 LEU 64 -3.189 4.647 4.235 302 2HD1 LEU 64 2HD1 LEU 64 -3.965 3.158 3.643 303 3HD1 LEU 64 3HD1 LEU 64 -2.379 3.649 3.003 304 1HD2 LEU 64 1HD2 LEU 64 -3.481 6.863 2.600 305 2HD2 LEU 64 2HD2 LEU 64 -5.172 6.632 2.090 306 3HD2 LEU 64 3HD2 LEU 64 -4.679 6.224 3.752 307 H ASP 65 H ASP 65 -1.218 2.558 0.408 308 HA ASP 65 HA ASP 65 -2.524 0.073 1.180 309 2HB ASP 65 2HB ASP 65 0.428 0.259 0.582 310 H GLN 66 H GLN 66 0.007 -0.992 2.352 311 HA GLN 66 HA GLN 66 -0.227 0.288 4.891 312 2HB GLN 66 2HB GLN 66 1.879 -1.713 4.773 313 2HG GLN 66 2HG GLN 66 -0.013 -2.954 6.136 314 1HE2 GLN 66 1HE2 GLN 66 0.572 -3.050 8.196 315 2HE2 GLN 66 2HE2 GLN 66 1.570 -1.907 9.032 316 H ILE 67 H ILE 67 1.635 0.776 2.083 317 HA ILE 67 HA ILE 67 3.904 1.811 3.615 318 HB ILE 67 HB ILE 67 5.051 1.877 1.444 319 2HG1 ILE 67 2HG1 ILE 67 2.667 1.984 0.247 320 1HG2 ILE 67 1HG2 ILE 67 5.627 -0.356 1.454 321 2HG2 ILE 67 2HG2 ILE 67 4.889 -0.165 3.063 322 3HG2 ILE 67 3HG2 ILE 67 3.956 -0.902 1.739 323 1HD1 ILE 67 1HD1 ILE 67 3.965 0.881 -1.801 324 2HD1 ILE 67 2HD1 ILE 67 4.498 2.442 -1.132 325 3HD1 ILE 67 3HD1 ILE 67 5.345 0.945 -0.677 326 H GLY 68 H GLY 68 1.399 3.162 3.832 327 1HA GLY 68 1HA GLY 68 0.333 5.115 3.308 328 2HA GLY 68 2HA GLY 68 1.926 5.744 3.678 329 H THR 69 H THR 69 0.775 3.784 0.847 330 HA THR 69 HA THR 69 1.586 6.041 -0.868 331 HB THR 69 HB THR 69 1.888 3.020 -1.293 332 HG1 THR 69 1HG THR 69 3.772 5.258 -1.095 333 1HG2 THR 69 1HG2 THR 69 1.769 5.164 -3.217 334 2HG2 THR 69 2HG2 THR 69 3.477 4.696 -3.042 335 3HG2 THR 69 3HG2 THR 69 2.262 3.477 -3.498 336 H CYS 70 H CYS 70 -0.185 7.032 -1.610 337 HA CYS 70 HA CYS 70 -2.639 5.608 -1.816 338 2HB CYS 70 2HB CYS 70 -2.191 8.120 -1.276 339 H TRP 71 H TRP 71 -3.295 4.408 -3.572 340 HA TRP 71 HA TRP 71 -1.758 4.744 -6.045 341 2HB TRP 71 2HB TRP 71 -2.508 2.501 -6.608 342 HD1 TRP 71 HD TRP 71 -2.039 2.256 -2.768 343 HE1 TRP 71 1HE TRP 71 0.335 1.272 -2.169 344 HE3 TRP 71 3HE TRP 71 -0.264 2.234 -7.533 345 HZ2 TRP 71 2HZ TRP 71 2.637 0.611 -3.719 346 HZ3 TRP 71 3HZ TRP 71 2.057 1.403 -7.904 347 HH2 TRP 71 HH TRP 71 3.493 0.610 -6.092 348 HA PRO 72 HA PRO 72 -5.444 6.576 -7.550 349 2HB PRO 72 2HB PRO 72 -4.279 8.235 -8.641 350 2HG PRO 72 2HG PRO 72 -2.031 7.804 -8.930 351 2HD PRO 72 2HD PRO 72 -1.678 6.318 -7.211 352 H GLN 73 H GLN 73 -7.298 6.015 -8.642 353 HA GLN 73 HA GLN 73 -7.765 3.466 -9.099 354 2HB GLN 73 2HB GLN 73 -9.533 5.118 -9.230 355 2HG GLN 73 2HG GLN 73 -9.671 6.338 -11.596 356 1HE2 GLN 73 1HE2 GLN 73 -6.631 7.124 -10.109 357 2HE2 GLN 73 2HE2 GLN 73 -7.156 8.460 -9.141 358 H SER 74 H SER 74 -7.887 2.025 -10.992 359 HA SER 74 HA SER 74 -6.385 2.859 -13.289 360 2HB SER 74 2HB SER 74 -4.761 1.034 -13.181 361 HG SER 74 HG SER 74 -4.000 2.836 -12.042 362 H ALA 75 H ALA 75 -6.082 0.372 -14.558 363 HA ALA 75 HA ALA 75 -8.881 -0.377 -14.882 364 1HB ALA 75 1HB ALA 75 -6.887 0.255 -16.679 365 2HB ALA 75 2HB ALA 75 -6.851 -1.525 -16.694 366 3HB ALA 75 3HB ALA 75 -8.361 -0.662 -17.070 367 HA PRO 76 HA PRO 76 -8.257 -4.258 -13.080 368 2HB PRO 76 2HB PRO 76 -10.514 -4.718 -13.083 369 2HG PRO 76 2HG PRO 76 -11.731 -3.558 -14.661 370 2HD PRO 76 2HD PRO 76 -10.361 -1.739 -14.977 371 H GLY 77 H GLY 77 -7.322 -6.359 -13.179 372 1HA GLY 77 1HA GLY 77 -5.848 -7.818 -14.043 373 2HA GLY 77 2HA GLY 77 -6.689 -7.623 -15.569 374 H ALA 78 H ALA 78 -4.682 -5.358 -13.546 375 HA ALA 78 HA ALA 78 -2.976 -5.004 -15.917 376 1HB ALA 78 1HB ALA 78 -3.592 -2.879 -13.837 377 2HB ALA 78 2HB ALA 78 -2.836 -2.672 -15.436 378 3HB ALA 78 3HB ALA 78 -4.563 -3.083 -15.315 379 H LEU 79 H LEU 79 -1.031 -3.376 -14.598 380 HA LEU 79 HA LEU 79 -0.138 -5.021 -12.366 381 2HB LEU 79 2HB LEU 79 2.168 -4.605 -13.863 382 HG LEU 79 HG LEU 79 2.207 -7.007 -14.272 383 1HD1 LEU 79 1HD1 LEU 79 2.945 -6.375 -12.113 384 2HD1 LEU 79 2HD1 LEU 79 1.280 -6.154 -11.524 385 3HD1 LEU 79 3HD1 LEU 79 1.885 -7.788 -11.888 386 1HD2 LEU 79 1HD2 LEU 79 -0.469 -6.892 -14.604 387 2HD2 LEU 79 2HD2 LEU 79 0.427 -8.395 -14.273 388 3HD2 LEU 79 3HD2 LEU 79 -0.389 -7.534 -12.945 389 H VAL 80 H VAL 80 -0.267 -3.425 -10.834 390 HA VAL 80 HA VAL 80 0.913 -0.839 -11.530 391 HB VAL 80 HB VAL 80 -0.865 -1.679 -9.232 392 1HG1 VAL 80 1HG1 VAL 80 0.689 0.761 -9.771 393 2HG1 VAL 80 2HG1 VAL 80 -1.033 1.061 -9.439 394 3HG1 VAL 80 3HG1 VAL 80 -0.040 0.174 -8.258 395 1HG2 VAL 80 1HG2 VAL 80 -1.488 -1.094 -11.953 396 2HG2 VAL 80 2HG2 VAL 80 -2.603 -1.396 -10.599 397 3HG2 VAL 80 3HG2 VAL 80 -2.066 0.263 -10.958 398 H GLU 81 H GLU 81 2.895 -2.623 -11.396 399 HA GLU 81 HA GLU 81 3.792 -2.658 -8.639 400 2HB GLU 81 2HB GLU 81 3.957 -4.806 -9.712 401 2HG GLU 81 2HG GLU 81 4.867 -3.162 -12.020 402 H ARG 82 H ARG 82 5.469 -1.376 -7.906 403 HA ARG 82 HA ARG 82 6.602 0.382 -9.913 404 2HB ARG 82 2HB ARG 82 7.209 1.836 -7.952 405 2HG ARG 82 2HG ARG 82 4.800 2.244 -7.140 406 2HD ARG 82 2HD ARG 82 5.896 2.428 -9.874 407 HE ARG 82 HE ARG 82 3.178 1.572 -9.723 408 1HH1 ARG 82 2HH2 ARG 82 5.093 4.141 -11.176 409 2HH1 ARG 82 1HH2 ARG 82 4.009 4.371 -12.507 410 1HH2 ARG 82 2HH1 ARG 82 1.747 1.875 -11.479 411 2HH2 ARG 82 1HH1 ARG 82 2.092 3.072 -12.680 412 HA PRO 83 HA PRO 83 10.307 -1.915 -9.250 413 2HB PRO 83 2HB PRO 83 10.707 -2.120 -11.508 414 2HG PRO 83 2HG PRO 83 9.491 -0.679 -12.836 415 2HD PRO 83 2HD PRO 83 7.704 -0.258 -11.451 416 H CYS 84 H CYS 84 12.335 -1.731 -8.256 417 HA CYS 84 HA CYS 84 12.523 0.307 -6.471 418 2HB CYS 84 2HB CYS 84 14.998 -0.292 -6.397 419 HA PRO 85 HA PRO 85 14.106 3.688 -8.715 420 2HB PRO 85 2HB PRO 85 13.941 5.104 -6.907 421 2HG PRO 85 2HG PRO 85 14.000 4.056 -4.854 422 2HD PRO 85 2HD PRO 85 13.278 1.955 -5.447 423 H GLU 86 H GLU 86 16.168 1.264 -7.681 424 HA GLU 86 HA GLU 86 17.845 0.447 -8.912 425 2HB GLU 86 2HB GLU 86 18.622 3.108 -10.100 426 2HG GLU 86 2HG GLU 86 19.248 0.325 -10.507 427 H TYR 87 H TYR 87 20.437 1.624 -9.303 428 HA TYR 87 HA TYR 87 22.274 1.834 -8.046 429 2HB TYR 87 2HB TYR 87 20.435 4.080 -7.009 430 HD1 TYR 87 1HD TYR 87 23.983 2.977 -7.411 431 HD2 TYR 87 2HD TYR 87 21.290 5.787 -5.636 432 HE1 TYR 87 1HE TYR 87 25.882 3.926 -6.012 433 HE2 TYR 87 2HE TYR 87 23.198 6.726 -4.243 434 HH TYR 87 HH TYR 87 25.261 6.349 -3.536 435 H PHE 88 H PHE 88 20.068 0.120 -6.844 436 HA PHE 88 HA PHE 88 20.728 0.520 -4.017 437 2HB PHE 88 2HB PHE 88 18.407 -0.482 -5.657 438 HD1 PHE 88 1HD PHE 88 17.866 -2.737 -5.637 439 HD2 PHE 88 2HD PHE 88 19.120 -0.902 -2.021 440 HE1 PHE 88 1HE PHE 88 17.335 -4.845 -4.382 441 HE2 PHE 88 2HE PHE 88 18.587 -3.010 -0.767 442 HZ PHE 88 HZ PHE 88 17.701 -4.955 -1.962 443 H ASN 89 H ASN 89 19.721 -2.343 -6.006 444 HA ASN 89 HA ASN 89 20.356 -4.449 -5.703 445 2HB ASN 89 2HB ASN 89 22.968 -4.563 -6.431 446 1HD2 ASN 89 1HD2 ASN 89 20.573 -2.438 -7.986 447 2HD2 ASN 89 2HD2 ASN 89 20.205 -3.465 -9.332 448 H GLY 90 H GLY 90 20.174 -3.843 -3.151 449 1HA GLY 90 1HA GLY 90 21.607 -5.308 -1.562 450 2HA GLY 90 2HA GLY 90 22.797 -4.054 -1.844 451 H ILE 91 H ILE 91 21.851 -1.679 -1.602 452 HA ILE 91 HA ILE 91 19.632 -1.117 -0.120 453 HB ILE 91 HB ILE 91 20.255 -2.430 1.690 454 2HG1 ILE 91 2HG1 ILE 91 20.916 0.474 2.094 455 1HG2 ILE 91 1HG2 ILE 91 22.425 -3.138 1.314 456 2HG2 ILE 91 2HG2 ILE 91 23.051 -1.481 1.138 457 3HG2 ILE 91 3HG2 ILE 91 22.607 -2.099 2.748 458 1HD1 ILE 91 1HD1 ILE 91 18.639 0.401 2.218 459 2HD1 ILE 91 2HD1 ILE 91 18.618 -1.369 2.408 460 3HD1 ILE 91 3HD1 ILE 91 18.901 -0.324 3.822 461 H LYS 92 H LYS 92 19.554 0.787 -1.253 462 HA LYS 92 HA LYS 92 20.986 2.961 -0.347 463 2HB LYS 92 2HB LYS 92 22.071 2.491 -3.062 464 2HG LYS 92 2HG LYS 92 22.478 4.405 -1.228 465 2HD LYS 92 2HD LYS 92 24.945 3.491 -0.372 466 2HE LYS 92 2HE LYS 92 22.477 3.008 1.325 467 1HZ LYS 92 1HZ LYS 92 25.178 3.304 1.766 468 2HZ LYS 92 2HZ LYS 92 24.473 4.647 2.371 469 3HZ LYS 92 3HZ LYS 92 23.997 3.172 2.886 470 H TYR 93 H TYR 93 18.304 2.166 -0.935 471 HA TYR 93 HA TYR 93 17.667 3.620 -3.385 472 2HB TYR 93 2HB TYR 93 16.608 1.412 -2.977 473 HD1 TYR 93 1HD TYR 93 16.856 -0.205 -1.319 474 HD2 TYR 93 2HD TYR 93 15.036 3.533 -0.312 475 HE1 TYR 93 1HE TYR 93 16.336 -1.078 1.012 476 HE2 TYR 93 2HE TYR 93 14.521 2.648 2.015 477 HH TYR 93 HH TYR 93 14.452 -0.446 2.790 478 H ASN 94 H ASN 94 15.769 5.157 -3.305 479 HA ASN 94 HA ASN 94 16.231 7.312 -1.894 480 2HB ASN 94 2HB ASN 94 14.421 7.750 -3.251 481 1HD2 ASN 94 1HD2 ASN 94 14.250 4.570 -1.781 482 2HD2 ASN 94 2HD2 ASN 94 13.379 3.765 -3.043 483 H THR 95 H THR 95 13.181 5.728 -0.864 484 HA THR 95 HA THR 95 14.054 4.912 1.695 485 HB THR 95 HB THR 95 14.292 7.346 2.076 486 HG1 THR 95 1HG THR 95 13.337 6.016 3.772 487 1HG2 THR 95 1HG2 THR 95 11.297 7.597 1.581 488 2HG2 THR 95 2HG2 THR 95 12.494 8.898 1.788 489 3HG2 THR 95 3HG2 THR 95 12.467 7.944 0.285 490 H THR 96 H THR 96 11.364 6.117 -0.367 491 HA THR 96 HA THR 96 9.846 3.766 0.510 492 HB THR 96 HB THR 96 8.958 6.691 0.506 493 HG1 THR 96 1HG THR 96 9.390 6.212 2.622 494 1HG2 THR 96 1HG2 THR 96 7.368 4.115 0.382 495 2HG2 THR 96 2HG2 THR 96 6.790 5.424 1.442 496 3HG2 THR 96 3HG2 THR 96 6.973 5.709 -0.306 497 H ARG 97 H ARG 97 10.630 2.833 -1.485 498 HA ARG 97 HA ARG 97 8.938 3.717 -3.649 499 2HB ARG 97 2HB ARG 97 11.627 2.863 -4.574 500 2HG ARG 97 2HG ARG 97 10.707 5.552 -5.307 501 2HD ARG 97 2HD ARG 97 10.951 2.958 -6.907 502 HE ARG 97 HE ARG 97 10.129 5.605 -7.693 503 1HH1 ARG 97 2HH2 ARG 97 12.182 2.942 -8.732 504 2HH1 ARG 97 1HH2 ARG 97 12.075 3.347 -10.412 505 1HH2 ARG 97 2HH1 ARG 97 9.988 6.139 -9.911 506 2HH2 ARG 97 1HH1 ARG 97 10.819 5.178 -11.087 507 H ASN 98 H ASN 98 10.003 1.883 -5.616 508 HA ASN 98 HA ASN 98 9.748 -0.168 -6.273 509 2HB ASN 98 2HB ASN 98 11.805 -0.441 -4.767 510 1HD2 ASN 98 1HD2 ASN 98 12.186 0.170 -2.764 511 2HD2 ASN 98 2HD2 ASN 98 11.456 -0.467 -1.329 512 H ALA 99 H ALA 99 8.351 -2.159 -6.057 513 HA ALA 99 HA ALA 99 6.900 -3.043 -4.030 514 1HB ALA 99 1HB ALA 99 5.771 -1.233 -3.244 515 2HB ALA 99 2HB ALA 99 5.976 -0.321 -4.758 516 3HB ALA 99 3HB ALA 99 4.688 -1.543 -4.621 517 H TYR 100 H TYR 100 4.728 -4.074 -4.765 518 HA TYR 100 HA TYR 100 4.500 -4.264 -7.653 519 2HB TYR 100 2HB TYR 100 4.517 -6.889 -7.134 520 HD1 TYR 100 1HD TYR 100 5.685 -6.982 -9.215 521 HD2 TYR 100 2HD TYR 100 7.573 -5.266 -5.779 522 HE1 TYR 100 1HE TYR 100 7.913 -6.963 -10.439 523 HE2 TYR 100 2HE TYR 100 9.794 -5.253 -7.016 524 HH TYR 100 HH TYR 100 10.438 -5.159 -9.555 525 H ARG 101 H ARG 101 2.367 -3.705 -7.825 526 HA ARG 101 HA ARG 101 0.553 -5.343 -6.262 527 2HB ARG 101 2HB ARG 101 -0.761 -2.849 -6.645 528 2HG ARG 101 2HG ARG 101 0.677 -3.588 -4.078 529 2HD ARG 101 2HD ARG 101 -1.617 -1.933 -4.899 530 HE ARG 101 HE ARG 101 -2.520 -4.220 -3.705 531 1HH1 ARG 101 2HH2 ARG 101 -2.145 -0.940 -2.483 532 2HH1 ARG 101 1HH2 ARG 101 -3.450 -1.076 -1.352 533 1HH2 ARG 101 2HH1 ARG 101 -4.242 -4.398 -2.213 534 2HH2 ARG 101 1HH1 ARG 101 -4.651 -3.056 -1.198 535 H GLU 102 H GLU 102 -1.009 -6.299 -7.557 536 HA GLU 102 HA GLU 102 -1.278 -5.168 -10.231 537 2HB GLU 102 2HB GLU 102 -0.317 -7.360 -10.406 538 2HG GLU 102 2HG GLU 102 -2.247 -9.120 -9.294 539 H CYS 103 H CYS 103 -3.471 -5.389 -11.251 540 HA CYS 103 HA CYS 103 -5.519 -5.173 -9.172 541 2HB CYS 103 2HB CYS 103 -6.416 -4.151 -11.687 542 H LEU 104 H LEU 104 -7.093 -6.757 -9.156 543 HA LEU 104 HA LEU 104 -6.893 -8.941 -10.907 544 2HB LEU 104 2HB LEU 104 -9.364 -9.170 -9.775 545 HG LEU 104 HG LEU 104 -6.636 -9.928 -8.819 546 1HD1 LEU 104 1HD1 LEU 104 -7.623 -9.215 -6.745 547 2HD1 LEU 104 2HD1 LEU 104 -9.124 -10.103 -7.099 548 3HD1 LEU 104 3HD1 LEU 104 -7.613 -10.994 -6.796 549 1HD2 LEU 104 1HD2 LEU 104 -8.388 -12.095 -8.695 550 2HD2 LEU 104 2HD2 LEU 104 -8.909 -11.174 -10.126 551 3HD2 LEU 104 3HD2 LEU 104 -7.222 -11.725 -9.989 552 H GLU 105 H GLU 105 -8.742 -9.763 -12.297 553 HA GLU 105 HA GLU 105 -9.384 -7.680 -14.117 554 2HB GLU 105 2HB GLU 105 -10.713 -10.273 -14.569 555 2HG GLU 105 2HG GLU 105 -8.462 -8.872 -16.082 556 H ASN 106 H ASN 106 -10.695 -8.432 -11.197 557 HA ASN 106 HA ASN 106 -13.440 -8.240 -12.085 558 2HB ASN 106 2HB ASN 106 -12.758 -8.312 -9.158 559 1HD2 ASN 106 1HD2 ASN 106 -13.811 -11.119 -10.829 560 2HD2 ASN 106 2HD2 ASN 106 -15.510 -11.010 -10.506 561 H GLY 107 H GLY 107 -10.879 -6.200 -11.485 562 1HA GLY 107 1HA GLY 107 -10.860 -3.934 -11.281 563 2HA GLY 107 2HA GLY 107 -12.582 -3.935 -10.958 564 H THR 108 H THR 108 -10.021 -5.822 -9.244 565 HA THR 108 HA THR 108 -10.524 -4.162 -6.868 566 HB THR 108 HB THR 108 -10.431 -6.358 -5.575 567 HG1 THR 108 1HG THR 108 -10.805 -7.362 -8.305 568 1HG2 THR 108 1HG2 THR 108 -12.709 -6.210 -5.727 569 2HG2 THR 108 2HG2 THR 108 -12.600 -5.454 -7.335 570 3HG2 THR 108 3HG2 THR 108 -12.603 -7.228 -7.183 571 H TRP 109 H TRP 109 -8.781 -4.405 -5.187 572 HA TRP 109 HA TRP 109 -6.237 -4.318 -6.591 573 2HB TRP 109 2HB TRP 109 -5.564 -3.559 -4.154 574 HD1 TRP 109 HD TRP 109 -7.948 -0.842 -4.642 575 HE1 TRP 109 1HE TRP 109 -7.078 1.105 -6.197 576 HE3 TRP 109 3HE TRP 109 -4.054 -3.449 -6.616 577 HZ2 TRP 109 2HZ TRP 109 -4.908 1.331 -8.036 578 HZ3 TRP 109 3HZ TRP 109 -2.608 -2.292 -8.285 579 HH2 TRP 109 HH TRP 109 -2.984 0.015 -8.999 580 H ALA 110 H ALA 110 -4.439 -5.086 -4.636 581 HA ALA 110 HA ALA 110 -5.042 -7.936 -4.432 582 1HB ALA 110 1HB ALA 110 -2.772 -8.285 -4.633 583 2HB ALA 110 2HB ALA 110 -2.896 -6.728 -5.487 584 3HB ALA 110 3HB ALA 110 -2.354 -6.773 -3.792 585 H SER 111 H SER 111 -3.509 -8.779 -2.347 586 HA SER 111 HA SER 111 -5.078 -7.976 -0.169 587 2HB SER 111 2HB SER 111 -2.923 -9.360 0.921 588 HG SER 111 HG SER 111 -4.506 -10.753 1.269 589 H ARG 112 H ARG 112 -1.689 -7.341 -1.232 590 HA ARG 112 HA ARG 112 -1.595 -4.853 -0.140 591 2HB ARG 112 2HB ARG 112 0.310 -5.918 1.675 592 2HG ARG 112 2HG ARG 112 -2.361 -4.557 1.830 593 2HD ARG 112 2HD ARG 112 -2.243 -6.475 3.623 594 HE ARG 112 HE ARG 112 0.080 -4.858 4.389 595 1HH1 ARG 112 2HH2 ARG 112 -2.434 -7.031 5.547 596 2HH1 ARG 112 1HH2 ARG 112 -1.545 -7.518 6.952 597 1HH2 ARG 112 2HH1 ARG 112 1.254 -5.500 6.242 598 2HH2 ARG 112 1HH1 ARG 112 0.568 -6.642 7.349 599 H VAL 113 H VAL 113 0.106 -3.853 -1.211 600 HA VAL 113 HA VAL 113 1.622 -5.037 -3.074 601 HB VAL 113 HB VAL 113 1.318 -2.569 -2.376 602 1HG1 VAL 113 1HG1 VAL 113 3.911 -3.193 -0.922 603 2HG1 VAL 113 2HG1 VAL 113 3.209 -1.577 -1.176 604 3HG1 VAL 113 3HG1 VAL 113 2.362 -2.765 -0.155 605 1HG2 VAL 113 1HG2 VAL 113 4.120 -2.959 -3.286 606 2HG2 VAL 113 2HG2 VAL 113 2.857 -3.783 -4.233 607 3HG2 VAL 113 3HG2 VAL 113 2.794 -2.017 -4.011 608 H ASN 114 H ASN 114 3.971 -5.583 -3.191 609 HA ASN 114 HA ASN 114 5.209 -6.256 -0.715 610 2HB ASN 114 2HB ASN 114 4.025 -8.321 -0.839 611 1HD2 ASN 114 1HD2 ASN 114 5.692 -8.332 -3.976 612 2HD2 ASN 114 2HD2 ASN 114 4.341 -8.816 -4.946 613 H TYR 115 H TYR 115 7.433 -7.493 -1.345 614 HA TYR 115 HA TYR 115 8.389 -7.325 -3.968 615 2HB TYR 115 2HB TYR 115 8.446 -4.941 -3.843 616 HD1 TYR 115 1HD TYR 115 6.649 -4.120 -2.397 617 HD2 TYR 115 2HD TYR 115 10.500 -5.077 -0.798 618 HE1 TYR 115 1HE TYR 115 6.078 -2.873 -0.256 619 HE2 TYR 115 2HE TYR 115 9.916 -3.827 1.338 620 HH TYR 115 HH TYR 115 7.177 -3.243 2.390 621 H SER 116 H SER 116 9.720 -9.064 -3.846 622 HA SER 116 HA SER 116 11.455 -9.168 -1.503 623 2HB SER 116 2HB SER 116 11.018 -11.675 -3.051 624 HG SER 116 HG SER 116 10.418 -11.550 -0.313 625 H HIS 117 H HIS 117 11.099 -9.555 -5.048 626 HA HIS 117 HA HIS 117 13.888 -10.171 -5.361 627 2HB HIS 117 2HB HIS 117 12.601 -11.301 -6.910 628 HD1 HIS 117 1HD HIS 117 10.041 -11.001 -5.990 629 HD2 HIS 117 2HD HIS 117 11.280 -8.390 -9.030 630 HE1 HIS 117 1HE HIS 117 7.914 -10.015 -6.996 631 H CYS 118 H CYS 118 12.444 -7.456 -4.363 632 HA CYS 118 HA CYS 118 14.047 -5.733 -6.106 633 2HB CYS 118 2HB CYS 118 11.967 -4.571 -4.329 634 H GLU 119 H GLU 119 13.693 -7.207 -3.002 635 HA GLU 119 HA GLU 119 15.771 -5.449 -1.997 636 2HB GLU 119 2HB GLU 119 13.762 -4.597 -0.937 637 2HG GLU 119 2HG GLU 119 13.169 -7.534 -0.567 638 HA PRO 120 HA PRO 120 16.615 -9.910 -1.480 639 2HB PRO 120 2HB PRO 120 17.252 -10.482 -3.617 640 2HG PRO 120 2HG PRO 120 17.501 -8.697 -5.058 641 2HD PRO 120 2HD PRO 120 16.131 -7.158 -4.040 642 H ILE 121 H ILE 121 19.238 -10.798 -1.257 643 HA ILE 121 HA ILE 121 20.878 -10.833 0.220 644 HB ILE 121 HB ILE 121 20.685 -8.045 -0.620 645 2HG1 ILE 121 2HG1 ILE 121 22.438 -10.282 -0.856 646 1HG2 ILE 121 1HG2 ILE 121 20.669 -7.477 1.687 647 2HG2 ILE 121 2HG2 ILE 121 21.907 -8.697 2.069 648 3HG2 ILE 121 3HG2 ILE 121 22.339 -7.260 1.112 649 1HD1 ILE 121 1HD1 ILE 121 22.125 -9.148 -2.846 650 2HD1 ILE 121 2HD1 ILE 121 22.042 -7.559 -2.049 651 3HD1 ILE 121 3HD1 ILE 121 23.620 -8.337 -2.319 652 H LEU 122 H LEU 122 21.344 -10.789 2.519 653 HA LEU 122 HA LEU 122 18.942 -10.109 4.066 654 2HB LEU 122 2HB LEU 122 19.422 -12.508 3.892 655 HG LEU 122 HG LEU 122 22.123 -11.737 4.653 656 1HD1 LEU 122 1HD1 LEU 122 21.999 -14.052 6.150 657 2HD1 LEU 122 2HD1 LEU 122 22.141 -12.395 6.784 658 3HD1 LEU 122 3HD1 LEU 122 20.542 -13.164 6.655 659 1HD2 LEU 122 1HD2 LEU 122 22.625 -13.410 3.270 660 2HD2 LEU 122 2HD2 LEU 122 21.615 -14.568 4.169 661 3HD2 LEU 122 3HD2 LEU 122 20.881 -13.518 2.934 662 H ASP 123 H ASP 123 20.242 -7.893 3.711 663 HA ASP 123 HA ASP 123 22.517 -7.601 5.339 664 2HB ASP 123 2HB ASP 123 22.014 -6.125 3.400 665 H ASP 124 H ASP 124 21.231 -8.753 7.239 666 HA ASP 124 HA ASP 124 20.699 -6.852 9.165 667 2HB ASP 124 2HB ASP 124 18.139 -8.273 8.946 668 H LYS 125 H LYS 125 19.941 -8.003 11.264 669 HA LYS 125 HA LYS 125 20.798 -10.800 11.141 670 2HB LYS 125 2HB LYS 125 20.642 -9.007 13.576 671 2HG LYS 125 2HG LYS 125 21.976 -11.671 12.925 672 2HD LYS 125 2HD LYS 125 22.518 -9.655 15.126 673 2HE LYS 125 2HE LYS 125 21.957 -12.400 15.615 674 1HZ LYS 125 1HZ LYS 125 23.909 -13.417 15.791 675 2HZ LYS 125 2HZ LYS 125 24.461 -12.313 14.721 676 3HZ LYS 125 3HZ LYS 125 24.709 -12.095 16.320 677 H GLN 126 H GLN 126 19.127 -12.193 10.938 678 HA GLN 126 HA GLN 126 16.650 -11.442 12.261 679 2HB GLN 126 2HB GLN 126 15.731 -13.381 10.800 680 2HG GLN 126 2HG GLN 126 16.460 -10.632 10.122 681 1HE2 GLN 126 1HE2 GLN 126 15.446 -13.341 8.043 682 2HE2 GLN 126 2HE2 GLN 126 16.371 -12.905 6.645 683 H ARG 127 H ARG 127 17.183 -14.798 11.369 684 HA ARG 127 HA ARG 127 17.326 -16.624 12.511 685 2HB ARG 127 2HB ARG 127 18.784 -15.203 14.773 686 2HG ARG 127 2HG ARG 127 20.241 -17.312 14.486 687 2HD ARG 127 2HD ARG 127 17.334 -17.934 15.155 688 HE ARG 127 HE ARG 127 19.470 -18.901 16.874 689 1HH1 ARG 127 2HH2 ARG 127 17.774 -19.533 13.855 690 2HH1 ARG 127 1HH2 ARG 127 18.138 -21.226 13.857 691 1HH2 ARG 127 2HH1 ARG 127 19.951 -21.134 16.876 692 2HH2 ARG 127 1HH1 ARG 127 19.383 -22.144 15.588 693 H LYS 128 H LYS 128 15.256 -17.180 13.201 694 HA LYS 128 HA LYS 128 14.604 -16.572 15.942 695 2HB LYS 128 2HB LYS 128 12.854 -15.596 13.667 696 2HG LYS 128 2HG LYS 128 11.736 -14.674 15.999 697 2HD LYS 128 2HD LYS 128 10.313 -16.986 15.686 698 2HE LYS 128 2HE LYS 128 9.476 -15.612 13.455 699 1HZ LYS 128 1HZ LYS 128 8.793 -14.220 15.810 700 2HZ LYS 128 2HZ LYS 128 7.854 -15.155 14.854 701 3HZ LYS 128 3HZ LYS 128 8.730 -15.834 16.054 702 H TYR 129 H TYR 129 13.578 -18.295 16.876 703 HA TYR 129 HA TYR 129 11.885 -20.024 15.419 704 2HB TYR 129 2HB TYR 129 13.854 -21.885 16.151 705 HD1 TYR 129 1HD TYR 129 15.398 -20.205 13.432 706 HD2 TYR 129 2HD TYR 129 12.020 -22.634 14.427 707 HE1 TYR 129 1HE TYR 129 15.148 -20.870 10.991 708 HE2 TYR 129 2HE TYR 129 11.782 -23.291 11.982 709 HH TYR 129 HH TYR 129 12.542 -23.068 9.980 710 H ASP 130 H ASP 130 11.697 -18.507 17.832 711 HA ASP 130 HA ASP 130 12.180 -20.344 19.967 712 2HB ASP 130 2HB ASP 130 10.713 -17.663 19.907 713 H LEU 131 H LEU 131 10.392 -21.185 21.355 714 HA LEU 131 HA LEU 131 7.693 -20.775 20.703 715 2HB LEU 131 2HB LEU 131 8.925 -23.321 19.639 716 HG LEU 131 HG LEU 131 6.079 -22.582 20.157 717 1HD1 LEU 131 1HD1 LEU 131 6.583 -22.644 17.593 718 2HD1 LEU 131 2HD1 LEU 131 6.656 -24.404 17.844 719 3HD1 LEU 131 3HD1 LEU 131 5.172 -23.508 18.250 720 1HD2 LEU 131 1HD2 LEU 131 7.848 -24.685 20.847 721 2HD2 LEU 131 2HD2 LEU 131 6.134 -24.488 21.285 722 3HD2 LEU 131 3HD2 LEU 131 6.579 -25.379 19.810 723 H HIS 132 H HIS 132 10.232 -22.961 22.020 724 HA HIS 132 HA HIS 132 8.493 -23.293 24.354 725 2HB HIS 132 2HB HIS 132 8.585 -25.408 23.294 726 HD1 HIS 132 1HD HIS 132 12.193 -25.782 24.264 727 HD2 HIS 132 2HD HIS 132 9.890 -25.534 20.767 728 HE1 HIS 132 1HE HIS 132 13.721 -26.496 22.349 729 HE2 HIS 132 2HE HIS 132 12.236 -26.376 20.235 730 H TYR 133 H TYR 133 9.952 -23.969 26.362 731 HA TYR 133 HA TYR 133 11.946 -21.872 26.547 732 2HB TYR 133 2HB TYR 133 10.791 -23.957 28.503 733 HD1 TYR 133 1HD TYR 133 12.053 -20.411 28.479 734 HD2 TYR 133 2HD TYR 133 12.015 -24.210 30.448 735 HE1 TYR 133 1HE TYR 133 13.564 -19.488 30.305 736 HE2 TYR 133 2HE TYR 133 13.526 -23.275 32.266 737 HH TYR 133 HH TYR 133 14.407 -21.465 33.116 Start of MODEL 11 1 1H GLY 15 H GLY 15 -42.083 -31.515 36.800 2 1HA GLY 15 1HA GLY 15 -41.555 -33.681 34.890 3 2HA GLY 15 2HA GLY 15 -43.089 -32.839 34.804 4 H SER 16 H SER 16 -42.246 -32.268 32.572 5 HA SER 16 HA SER 16 -41.286 -29.635 32.646 6 2HB SER 16 2HB SER 16 -39.343 -30.851 30.922 7 HG SER 16 HG SER 16 -37.863 -29.867 32.450 8 H GLY 17 H GLY 17 -40.905 -28.853 30.231 9 1HA GLY 17 1HA GLY 17 -42.187 -30.513 28.228 10 2HA GLY 17 2HA GLY 17 -43.112 -29.113 28.733 11 H MET 18 H MET 18 -42.338 -29.220 26.096 12 HA MET 18 HA MET 18 -40.511 -26.996 26.019 13 2HB MET 18 2HB MET 18 -39.096 -29.064 25.713 14 2HG MET 18 2HG MET 18 -40.246 -29.605 23.016 15 1HE MET 18 1HE MET 18 -41.465 -32.124 24.240 16 2HE MET 18 2HE MET 18 -40.321 -33.205 23.408 17 3HE MET 18 3HE MET 18 -40.409 -33.200 25.187 18 H LYS 19 H LYS 19 -40.653 -25.765 23.985 19 HA LYS 19 HA LYS 19 -42.330 -26.547 21.889 20 2HB LYS 19 2HB LYS 19 -43.698 -24.443 23.539 21 2HG LYS 19 2HG LYS 19 -44.137 -25.509 21.014 22 2HD LYS 19 2HD LYS 19 -44.781 -27.699 22.172 23 2HE LYS 19 2HE LYS 19 -46.122 -26.102 23.959 24 1HZ LYS 19 1HZ LYS 19 -48.154 -27.190 22.139 25 2HZ LYS 19 2HZ LYS 19 -48.420 -26.353 23.516 26 3HZ LYS 19 3HZ LYS 19 -47.762 -25.607 22.222 27 H GLU 20 H GLU 20 -40.987 -25.679 20.385 28 HA GLU 20 HA GLU 20 -40.829 -22.851 20.284 29 2HB GLU 20 2HB GLU 20 -38.074 -23.732 20.055 30 2HG GLU 20 2HG GLU 20 -38.249 -22.099 22.291 31 H THR 21 H THR 21 -39.515 -22.170 18.238 32 HA THR 21 HA THR 21 -38.879 -24.110 16.302 33 HB THR 21 HB THR 21 -41.418 -24.383 16.436 34 HG1 THR 21 1HG THR 21 -40.215 -23.154 14.055 35 1HG2 THR 21 1HG2 THR 21 -41.280 -21.481 16.132 36 2HG2 THR 21 2HG2 THR 21 -42.115 -22.201 14.735 37 3HG2 THR 21 3HG2 THR 21 -42.716 -22.503 16.383 38 H ALA 22 H ALA 22 -38.066 -23.177 14.349 39 HA ALA 22 HA ALA 22 -38.258 -20.492 13.711 40 1HB ALA 22 1HB ALA 22 -36.712 -19.390 14.938 41 2HB ALA 22 2HB ALA 22 -36.796 -20.775 16.054 42 3HB ALA 22 3HB ALA 22 -35.533 -20.716 14.800 43 H ALA 23 H ALA 23 -36.111 -19.885 12.307 44 HA ALA 23 HA ALA 23 -34.984 -22.271 11.110 45 1HB ALA 23 1HB ALA 23 -36.222 -22.265 9.230 46 2HB ALA 23 2HB ALA 23 -37.325 -21.133 10.048 47 3HB ALA 23 3HB ALA 23 -36.010 -20.509 9.024 48 H ALA 24 H ALA 24 -33.483 -21.429 9.164 49 HA ALA 24 HA ALA 24 -32.496 -18.767 9.546 50 1HB ALA 24 1HB ALA 24 -30.598 -21.037 10.209 51 2HB ALA 24 2HB ALA 24 -30.372 -19.290 10.464 52 3HB ALA 24 3HB ALA 24 -31.533 -20.193 11.466 53 H LYS 25 H LYS 25 -31.493 -18.065 7.675 54 HA LYS 25 HA LYS 25 -30.203 -19.839 5.901 55 2HB LYS 25 2HB LYS 25 -32.931 -18.872 4.992 56 2HG LYS 25 2HG LYS 25 -31.591 -21.014 3.495 57 2HD LYS 25 2HD LYS 25 -31.957 -19.122 1.667 58 2HE LYS 25 2HE LYS 25 -34.395 -20.249 3.114 59 1HZ LYS 25 1HZ LYS 25 -33.846 -19.759 0.269 60 2HZ LYS 25 2HZ LYS 25 -35.253 -20.288 0.908 61 3HZ LYS 25 3HZ LYS 25 -34.734 -18.771 1.220 62 H PHE 26 H PHE 26 -28.508 -18.439 5.703 63 HA PHE 26 HA PHE 26 -28.872 -16.154 4.095 64 2HB PHE 26 2HB PHE 26 -27.711 -14.897 6.322 65 HD1 PHE 26 1HD PHE 26 -30.701 -14.762 7.770 66 HD2 PHE 26 2HD PHE 26 -29.023 -13.931 3.962 67 HE1 PHE 26 1HE PHE 26 -32.539 -13.112 7.320 68 HE2 PHE 26 2HE PHE 26 -30.861 -12.282 3.512 69 HZ PHE 26 HZ PHE 26 -32.597 -11.892 5.196 70 H GLU 27 H GLU 27 -26.657 -14.764 4.232 71 HA GLU 27 HA GLU 27 -24.471 -16.544 4.858 72 2HB GLU 27 2HB GLU 27 -25.060 -16.994 2.471 73 2HG GLU 27 2HG GLU 27 -24.225 -14.972 0.937 74 H ARG 28 H ARG 28 -22.449 -14.923 3.544 75 HA ARG 28 HA ARG 28 -22.834 -12.433 5.005 76 2HB ARG 28 2HB ARG 28 -21.188 -13.866 6.170 77 2HG ARG 28 2HG ARG 28 -19.173 -13.707 3.989 78 2HD ARG 28 2HD ARG 28 -19.006 -14.908 6.287 79 HE ARG 28 HE ARG 28 -21.310 -16.198 5.526 80 1HH1 ARG 28 2HH2 ARG 28 -18.022 -17.327 6.071 81 2HH1 ARG 28 1HH2 ARG 28 -18.513 -18.914 6.564 82 1HH2 ARG 28 2HH1 ARG 28 -21.958 -18.291 6.176 83 2HH2 ARG 28 1HH1 ARG 28 -20.766 -19.466 6.623 84 H GLN 29 H GLN 29 -23.489 -11.261 3.109 85 HA GLN 29 HA GLN 29 -21.409 -11.113 1.067 86 2HB GLN 29 2HB GLN 29 -24.238 -10.250 0.495 87 2HG GLN 29 2HG GLN 29 -21.889 -11.424 -1.029 88 1HE2 GLN 29 1HE2 GLN 29 -22.956 -13.429 -1.440 89 2HE2 GLN 29 2HE2 GLN 29 -24.192 -13.554 -2.647 90 H HIS 30 H HIS 30 -23.681 -9.368 3.204 91 HA HIS 30 HA HIS 30 -23.339 -6.822 2.215 92 2HB HIS 30 2HB HIS 30 -25.044 -7.391 3.833 93 HD1 HIS 30 1HD HIS 30 -25.479 -7.331 6.629 94 HD2 HIS 30 2HD HIS 30 -21.912 -8.994 5.176 95 HE1 HIS 30 1HE HIS 30 -24.563 -8.805 8.500 96 H MET 31 H MET 31 -22.268 -5.112 4.057 97 HA MET 31 HA MET 31 -19.882 -5.847 5.189 98 2HB MET 31 2HB MET 31 -18.967 -4.271 2.874 99 2HG MET 31 2HG MET 31 -18.177 -7.119 3.608 100 1HE MET 31 1HE MET 31 -17.721 -7.733 1.651 101 2HE MET 31 2HE MET 31 -17.031 -6.808 0.295 102 3HE MET 31 3HE MET 31 -15.965 -7.756 1.361 103 H ASP 32 H ASP 32 -18.327 -3.681 5.270 104 HA ASP 32 HA ASP 32 -20.052 -1.362 5.287 105 2HB ASP 32 2HB ASP 32 -18.312 -2.119 7.675 106 H SER 33 H SER 33 -18.617 0.690 5.735 107 HA SER 33 HA SER 33 -15.835 0.194 5.115 108 2HB SER 33 2HB SER 33 -16.206 2.348 3.517 109 HG SER 33 HG SER 33 -16.897 -0.307 2.599 110 HA PRO 34 HA PRO 34 -15.410 3.454 7.969 111 2HB PRO 34 2HB PRO 34 -13.258 2.821 8.488 112 2HG PRO 34 2HG PRO 34 -12.208 1.560 6.867 113 2HD PRO 34 2HD PRO 34 -14.036 0.670 5.794 114 H ASP 35 H ASP 35 -13.896 5.791 7.881 115 HA ASP 35 HA ASP 35 -15.583 7.200 6.001 116 2HB ASP 35 2HB ASP 35 -15.163 9.159 7.320 117 H LEU 36 H LEU 36 -14.613 8.775 4.493 118 HA LEU 36 HA LEU 36 -11.719 8.823 4.338 119 2HB LEU 36 2HB LEU 36 -11.919 8.298 1.842 120 HG LEU 36 HG LEU 36 -11.454 6.565 4.004 121 1HD1 LEU 36 1HD1 LEU 36 -13.482 5.429 2.080 122 2HD1 LEU 36 2HD1 LEU 36 -12.346 4.398 2.985 123 3HD1 LEU 36 3HD1 LEU 36 -13.503 5.431 3.860 124 1HD2 LEU 36 1HD2 LEU 36 -9.832 6.872 2.319 125 2HD2 LEU 36 2HD2 LEU 36 -10.339 5.170 2.199 126 3HD2 LEU 36 3HD2 LEU 36 -10.953 6.366 1.032 127 H GLY 37 H GLY 37 -12.045 11.029 5.001 128 1HA GLY 37 1HA GLY 37 -12.451 12.797 2.783 129 2HA GLY 37 2HA GLY 37 -13.770 12.866 3.935 130 H THR 38 H THR 38 -11.851 15.004 3.329 131 HA THR 38 HA THR 38 -10.619 16.528 4.378 132 HB THR 38 HB THR 38 -11.758 15.136 6.860 133 HG1 THR 38 1HG THR 38 -13.428 16.685 6.462 134 1HG2 THR 38 1HG2 THR 38 -11.190 17.044 8.110 135 2HG2 THR 38 2HG2 THR 38 -9.775 16.947 7.034 136 3HG2 THR 38 3HG2 THR 38 -11.097 18.081 6.666 137 H THR 39 H THR 39 -8.483 16.840 4.787 138 HA THR 39 HA THR 39 -6.666 14.897 4.485 139 HB THR 39 HB THR 39 -6.300 17.407 4.624 140 HG1 THR 39 1HG THR 39 -4.309 16.428 4.741 141 1HG2 THR 39 1HG2 THR 39 -6.054 18.508 6.699 142 2HG2 THR 39 2HG2 THR 39 -7.441 17.447 7.041 143 3HG2 THR 39 3HG2 THR 39 -5.810 16.985 7.587 144 H LEU 40 H LEU 40 -7.028 12.889 5.374 145 HA LEU 40 HA LEU 40 -6.981 12.818 8.308 146 2HB LEU 40 2HB LEU 40 -9.007 11.905 7.478 147 HG LEU 40 HG LEU 40 -7.814 11.179 5.167 148 1HD1 LEU 40 1HD1 LEU 40 -8.298 8.434 6.019 149 2HD1 LEU 40 2HD1 LEU 40 -6.945 9.131 5.094 150 3HD1 LEU 40 3HD1 LEU 40 -6.927 9.181 6.874 151 1HD2 LEU 40 1HD2 LEU 40 -9.872 9.699 4.814 152 2HD2 LEU 40 2HD2 LEU 40 -10.313 10.122 6.486 153 3HD2 LEU 40 3HD2 LEU 40 -10.146 11.401 5.259 154 H LEU 41 H LEU 41 -5.947 10.840 5.434 155 HA LEU 41 HA LEU 41 -3.249 10.886 6.141 156 2HB LEU 41 2HB LEU 41 -4.088 9.575 8.076 157 HG LEU 41 HG LEU 41 -5.477 8.032 6.151 158 1HD1 LEU 41 1HD1 LEU 41 -3.475 6.270 7.561 159 2HD1 LEU 41 2HD1 LEU 41 -4.617 5.851 6.262 160 3HD1 LEU 41 3HD1 LEU 41 -3.208 6.881 5.911 161 1HD2 LEU 41 1HD2 LEU 41 -6.475 7.017 8.017 162 2HD2 LEU 41 2HD2 LEU 41 -5.030 7.245 9.030 163 3HD2 LEU 41 3HD2 LEU 41 -6.025 8.648 8.570 164 H GLU 42 H GLU 42 -4.421 11.461 3.801 165 HA GLU 42 HA GLU 42 -4.067 11.025 1.680 166 2HB GLU 42 2HB GLU 42 -3.330 8.130 2.174 167 2HG GLU 42 2HG GLU 42 -3.400 9.684 -0.108 168 H GLN 43 H GLN 43 -6.584 10.817 2.984 169 HA GLN 43 HA GLN 43 -8.075 8.658 2.749 170 2HB GLN 43 2HB GLN 43 -8.815 10.996 3.398 171 2HG GLN 43 2HG GLN 43 -9.839 11.485 0.651 172 1HE2 GLN 43 1HE2 GLN 43 -7.270 13.429 1.669 173 2HE2 GLN 43 2HE2 GLN 43 -8.150 14.700 2.453 174 H TYR 44 H TYR 44 -6.680 10.503 0.055 175 HA TYR 44 HA TYR 44 -6.923 8.412 -1.748 176 2HB TYR 44 2HB TYR 44 -9.385 9.582 -1.273 177 HD1 TYR 44 1HD TYR 44 -8.885 12.118 -0.984 178 HD2 TYR 44 2HD TYR 44 -9.012 10.145 -4.778 179 HE1 TYR 44 1HE TYR 44 -9.252 14.352 -2.142 180 HE2 TYR 44 2HE TYR 44 -9.379 12.385 -5.922 181 HH TYR 44 HH TYR 44 -9.027 15.365 -4.206 182 H CYS 45 H CYS 45 -6.036 8.957 -3.859 183 HA CYS 45 HA CYS 45 -4.695 11.560 -3.784 184 2HB CYS 45 2HB CYS 45 -2.852 10.326 -3.926 185 H HIS 46 H HIS 46 -3.915 11.768 -6.453 186 HA HIS 46 HA HIS 46 -6.167 12.728 -7.678 187 2HB HIS 46 2HB HIS 46 -3.667 11.727 -9.067 188 HD1 HIS 46 1HD HIS 46 -3.433 14.752 -10.249 189 HD2 HIS 46 2HD HIS 46 -6.676 12.116 -10.613 190 HE1 HIS 46 1HE HIS 46 -4.733 15.499 -12.315 191 H ARG 47 H ARG 47 -7.873 11.832 -8.741 192 HA ARG 47 HA ARG 47 -8.441 9.232 -8.647 193 2HB ARG 47 2HB ARG 47 -9.235 11.357 -10.678 194 2HG ARG 47 2HG ARG 47 -9.411 8.804 -11.453 195 2HD ARG 47 2HD ARG 47 -10.568 8.048 -9.365 196 HE ARG 47 HE ARG 47 -12.990 9.593 -10.125 197 1HH1 ARG 47 2HH2 ARG 47 -10.324 9.114 -7.879 198 2HH1 ARG 47 1HH2 ARG 47 -11.050 10.055 -6.618 199 1HH2 ARG 47 2HH1 ARG 47 -13.948 10.834 -8.461 200 2HH2 ARG 47 1HH1 ARG 47 -13.125 11.039 -6.951 201 H THR 48 H THR 48 -7.498 10.831 -11.786 202 HA THR 48 HA THR 48 -5.986 10.163 -13.329 203 HB THR 48 HB THR 48 -5.058 8.774 -11.159 204 HG1 THR 48 1HG THR 48 -3.347 8.414 -12.657 205 1HG2 THR 48 1HG2 THR 48 -5.256 6.589 -13.217 206 2HG2 THR 48 2HG2 THR 48 -5.089 6.462 -11.450 207 3HG2 THR 48 3HG2 THR 48 -6.676 6.828 -12.170 208 H THR 49 H THR 49 -8.905 9.844 -13.271 209 HA THR 49 HA THR 49 -9.124 8.270 -15.623 210 HB THR 49 HB THR 49 -9.065 6.609 -13.552 211 HG1 THR 49 1HG THR 49 -9.699 5.914 -15.650 212 1HG2 THR 49 1HG2 THR 49 -12.024 6.854 -13.561 213 2HG2 THR 49 2HG2 THR 49 -10.927 6.502 -12.204 214 3HG2 THR 49 3HG2 THR 49 -11.210 8.187 -12.707 215 H ILE 50 H ILE 50 -11.990 7.744 -15.269 216 HA ILE 50 HA ILE 50 -13.698 8.973 -16.137 217 HB ILE 50 HB ILE 50 -14.438 8.496 -13.992 218 2HG1 ILE 50 2HG1 ILE 50 -15.617 10.396 -15.166 219 1HG2 ILE 50 1HG2 ILE 50 -12.135 10.061 -13.151 220 2HG2 ILE 50 2HG2 ILE 50 -13.595 10.464 -12.216 221 3HG2 ILE 50 3HG2 ILE 50 -13.027 8.780 -12.296 222 1HD1 ILE 50 1HD1 ILE 50 -16.310 9.224 -12.926 223 2HD1 ILE 50 2HD1 ILE 50 -15.766 10.733 -12.156 224 3HD1 ILE 50 3HD1 ILE 50 -17.086 10.770 -13.350 225 H GLY 51 H GLY 51 -12.848 11.640 -13.947 226 1HA GLY 51 1HA GLY 51 -11.970 13.698 -14.374 227 2HA GLY 51 2HA GLY 51 -11.600 13.216 -16.018 228 H ASN 52 H ASN 52 -14.103 12.388 -17.006 229 HA ASN 52 HA ASN 52 -15.962 14.484 -16.414 230 2HB ASN 52 2HB ASN 52 -14.593 14.205 -19.134 231 1HD2 ASN 52 1HD2 ASN 52 -15.330 16.008 -20.603 232 2HD2 ASN 52 2HD2 ASN 52 -17.035 16.241 -20.794 233 H PHE 53 H PHE 53 -14.939 11.845 -18.697 234 HA PHE 53 HA PHE 53 -17.318 11.114 -19.748 235 2HB PHE 53 2HB PHE 53 -16.214 8.902 -19.989 236 HD1 PHE 53 1HD PHE 53 -13.030 9.874 -18.957 237 HD2 PHE 53 2HD PHE 53 -15.943 10.721 -21.925 238 HE1 PHE 53 1HE PHE 53 -11.239 10.803 -20.449 239 HE2 PHE 53 2HE PHE 53 -14.152 11.650 -23.417 240 HZ PHE 53 HZ PHE 53 -11.821 11.681 -22.662 241 H SER 54 H SER 54 -15.873 9.479 -16.830 242 HA SER 54 HA SER 54 -16.885 8.970 -14.919 243 2HB SER 54 2HB SER 54 -19.675 9.217 -16.048 244 HG SER 54 HG SER 54 -18.468 9.083 -13.558 245 H GLY 55 H GLY 55 -17.148 6.831 -14.252 246 1HA GLY 55 1HA GLY 55 -17.073 4.584 -14.666 247 2HA GLY 55 2HA GLY 55 -18.768 4.881 -14.992 248 HA PRO 56 HA PRO 56 -16.757 4.895 -19.256 249 2HB PRO 56 2HB PRO 56 -15.055 6.413 -19.578 250 2HG PRO 56 2HG PRO 56 -13.951 7.043 -17.654 251 2HD PRO 56 2HD PRO 56 -15.578 6.609 -16.089 252 H TYR 57 H TYR 57 -14.069 3.322 -17.576 253 HA TYR 57 HA TYR 57 -15.143 0.780 -18.564 254 2HB TYR 57 2HB TYR 57 -13.358 0.916 -20.075 255 HD1 TYR 57 1HD TYR 57 -11.839 2.741 -17.158 256 HD2 TYR 57 2HD TYR 57 -12.649 2.705 -21.359 257 HE1 TYR 57 1HE TYR 57 -10.610 4.951 -17.421 258 HE2 TYR 57 2HE TYR 57 -11.417 4.915 -21.607 259 HH TYR 57 HH TYR 57 -10.855 6.937 -19.265 260 H THR 58 H THR 58 -14.838 -0.980 -17.179 261 HA THR 58 HA THR 58 -14.665 -0.549 -14.493 262 HB THR 58 HB THR 58 -13.915 -2.990 -16.185 263 HG1 THR 58 1HG THR 58 -16.178 -3.406 -15.731 264 1HG2 THR 58 1HG2 THR 58 -13.662 -2.618 -13.341 265 2HG2 THR 58 2HG2 THR 58 -15.127 -3.589 -13.621 266 3HG2 THR 58 3HG2 THR 58 -13.557 -4.145 -14.250 267 H TYR 59 H TYR 59 -13.159 0.346 -13.246 268 HA TYR 59 HA TYR 59 -10.368 -0.363 -13.845 269 2HB TYR 59 2HB TYR 59 -10.417 2.161 -12.579 270 HD1 TYR 59 1HD TYR 59 -8.859 3.552 -13.621 271 HD2 TYR 59 2HD TYR 59 -11.067 0.762 -15.997 272 HE1 TYR 59 1HE TYR 59 -7.460 4.165 -15.653 273 HE2 TYR 59 2HE TYR 59 -9.660 1.385 -18.021 274 HH TYR 59 HH TYR 59 -8.307 3.659 -18.642 275 H CYS 60 H CYS 60 -8.906 -0.214 -11.947 276 HA CYS 60 HA CYS 60 -10.046 -1.487 -9.738 277 2HB CYS 60 2HB CYS 60 -7.785 -0.983 -8.678 278 H ASN 61 H ASN 61 -10.148 -0.637 -7.478 279 HA ASN 61 HA ASN 61 -11.140 2.051 -7.531 280 2HB ASN 61 2HB ASN 61 -11.054 -0.132 -5.392 281 1HD2 ASN 61 1HD2 ASN 61 -11.520 0.352 -3.366 282 2HD2 ASN 61 2HD2 ASN 61 -11.932 1.916 -2.749 283 H THR 62 H THR 62 -10.380 3.669 -5.862 284 HA THR 62 HA THR 62 -7.511 3.554 -5.579 285 HB THR 62 HB THR 62 -8.871 5.598 -6.291 286 HG1 THR 62 1HG THR 62 -7.490 6.908 -4.887 287 1HG2 THR 62 1HG2 THR 62 -9.351 6.238 -3.414 288 2HG2 THR 62 2HG2 THR 62 -10.325 6.660 -4.843 289 3HG2 THR 62 3HG2 THR 62 -10.478 5.046 -4.108 290 H THR 63 H THR 63 -6.313 3.620 -3.645 291 HA THR 63 HA THR 63 -7.404 3.649 -1.100 292 HB THR 63 HB THR 63 -8.197 1.320 -2.373 293 HG1 THR 63 1HG THR 63 -7.353 1.643 0.418 294 1HG2 THR 63 1HG2 THR 63 -5.903 0.552 -0.514 295 2HG2 THR 63 2HG2 THR 63 -6.879 -0.516 -1.549 296 3HG2 THR 63 3HG2 THR 63 -5.692 0.591 -2.281 297 H LEU 64 H LEU 64 -5.803 3.039 0.587 298 HA LEU 64 HA LEU 64 -3.127 3.434 -0.529 299 2HB LEU 64 2HB LEU 64 -3.833 5.173 0.951 300 HG LEU 64 HG LEU 64 -5.080 3.154 2.508 301 1HD1 LEU 64 1HD1 LEU 64 -2.570 3.437 3.544 302 2HD1 LEU 64 2HD1 LEU 64 -3.484 4.643 4.480 303 3HD1 LEU 64 3HD1 LEU 64 -4.010 2.944 4.466 304 1HD2 LEU 64 1HD2 LEU 64 -6.318 4.887 3.260 305 2HD2 LEU 64 2HD2 LEU 64 -4.899 5.909 3.588 306 3HD2 LEU 64 3HD2 LEU 64 -5.513 5.746 1.926 307 H ASP 65 H ASP 65 -1.382 2.436 1.144 308 HA ASP 65 HA ASP 65 -2.271 -0.308 1.578 309 2HB ASP 65 2HB ASP 65 0.634 0.300 1.094 310 H GLN 66 H GLN 66 -0.384 -1.409 3.117 311 HA GLN 66 HA GLN 66 -0.587 -0.085 5.540 312 2HB GLN 66 2HB GLN 66 1.498 -2.204 4.912 313 2HG GLN 66 2HG GLN 66 1.241 -1.103 7.247 314 1HE2 GLN 66 1HE2 GLN 66 0.002 -0.711 8.960 315 2HE2 GLN 66 2HE2 GLN 66 -1.664 -1.149 9.134 316 H ILE 67 H ILE 67 1.677 0.224 2.892 317 HA ILE 67 HA ILE 67 3.620 1.557 4.616 318 HB ILE 67 HB ILE 67 4.998 1.557 2.523 319 2HG1 ILE 67 2HG1 ILE 67 2.907 1.276 1.040 320 1HG2 ILE 67 1HG2 ILE 67 5.862 -0.514 2.994 321 2HG2 ILE 67 2HG2 ILE 67 4.881 -0.232 4.452 322 3HG2 ILE 67 3HG2 ILE 67 4.260 -1.274 3.149 323 1HD1 ILE 67 1HD1 ILE 67 5.332 1.170 0.282 324 2HD1 ILE 67 2HD1 ILE 67 5.259 -0.594 0.515 325 3HD1 ILE 67 3HD1 ILE 67 4.211 0.188 -0.693 326 H GLY 68 H GLY 68 1.060 2.789 4.373 327 1HA GLY 68 1HA GLY 68 0.030 4.684 3.690 328 2HA GLY 68 2HA GLY 68 1.613 5.390 3.947 329 H THR 69 H THR 69 1.136 2.886 1.467 330 HA THR 69 HA THR 69 1.863 4.844 -0.559 331 HB THR 69 HB THR 69 1.626 1.791 -0.510 332 HG1 THR 69 1HG THR 69 4.056 2.330 -0.816 333 1HG2 THR 69 1HG2 THR 69 1.373 3.131 -2.824 334 2HG2 THR 69 2HG2 THR 69 3.125 3.369 -2.613 335 3HG2 THR 69 3HG2 THR 69 2.454 1.722 -2.711 336 H CYS 70 H CYS 70 0.243 6.073 -1.321 337 HA CYS 70 HA CYS 70 -2.419 5.140 -1.359 338 2HB CYS 70 2HB CYS 70 -1.270 7.586 -1.402 339 H TRP 71 H TRP 71 -3.726 4.676 -3.292 340 HA TRP 71 HA TRP 71 -2.251 4.223 -5.753 341 2HB TRP 71 2HB TRP 71 -3.137 1.910 -5.938 342 HD1 TRP 71 HD TRP 71 -1.795 1.658 -2.382 343 HE1 TRP 71 1HE TRP 71 0.741 0.928 -2.335 344 HE3 TRP 71 3HE TRP 71 -1.007 2.184 -7.378 345 HZ2 TRP 71 2HZ TRP 71 2.747 0.659 -4.347 346 HZ3 TRP 71 3HZ TRP 71 1.269 1.667 -8.255 347 HH2 TRP 71 HH TRP 71 3.110 0.929 -6.828 348 HA PRO 72 HA PRO 72 -6.279 5.926 -6.551 349 2HB PRO 72 2HB PRO 72 -5.481 7.974 -7.237 350 2HG PRO 72 2HG PRO 72 -3.206 8.045 -7.609 351 2HD PRO 72 2HD PRO 72 -2.519 6.306 -6.270 352 H GLN 73 H GLN 73 -8.002 5.593 -8.067 353 HA GLN 73 HA GLN 73 -8.289 3.134 -8.900 354 2HB GLN 73 2HB GLN 73 -9.736 4.084 -10.813 355 2HG GLN 73 2HG GLN 73 -10.504 5.717 -8.473 356 1HE2 GLN 73 1HE2 GLN 73 -11.815 5.860 -10.598 357 2HE2 GLN 73 2HE2 GLN 73 -13.194 4.819 -10.714 358 H SER 74 H SER 74 -7.999 1.876 -10.877 359 HA SER 74 HA SER 74 -6.299 2.978 -12.885 360 2HB SER 74 2HB SER 74 -4.426 1.521 -12.614 361 HG SER 74 HG SER 74 -3.769 1.871 -10.376 362 H ALA 75 H ALA 75 -5.455 0.300 -13.860 363 HA ALA 75 HA ALA 75 -8.044 -0.519 -14.908 364 1HB ALA 75 1HB ALA 75 -5.458 -0.164 -15.982 365 2HB ALA 75 2HB ALA 75 -5.730 -1.924 -15.969 366 3HB ALA 75 3HB ALA 75 -6.880 -0.851 -16.803 367 HA PRO 76 HA PRO 76 -8.094 -4.117 -12.506 368 2HB PRO 76 2HB PRO 76 -10.340 -4.431 -12.896 369 2HG PRO 76 2HG PRO 76 -11.143 -3.392 -14.792 370 2HD PRO 76 2HD PRO 76 -9.589 -1.714 -15.026 371 H GLY 77 H GLY 77 -7.230 -6.189 -12.155 372 1HA GLY 77 1HA GLY 77 -5.440 -7.553 -12.521 373 2HA GLY 77 2HA GLY 77 -6.439 -8.039 -13.876 374 H ALA 78 H ALA 78 -4.501 -5.037 -13.187 375 HA ALA 78 HA ALA 78 -3.180 -5.489 -15.776 376 1HB ALA 78 1HB ALA 78 -4.500 -3.508 -15.917 377 2HB ALA 78 2HB ALA 78 -3.996 -2.966 -14.297 378 3HB ALA 78 3HB ALA 78 -2.831 -2.953 -15.643 379 H LEU 79 H LEU 79 -2.824 -5.695 -12.422 380 HA LEU 79 HA LEU 79 -1.105 -5.636 -11.020 381 2HB LEU 79 2HB LEU 79 -0.061 -7.478 -11.617 382 HG LEU 79 HG LEU 79 -0.360 -6.721 -14.537 383 1HD1 LEU 79 1HD1 LEU 79 1.070 -8.937 -13.187 384 2HD1 LEU 79 2HD1 LEU 79 0.051 -9.385 -14.576 385 3HD1 LEU 79 3HD1 LEU 79 1.345 -8.180 -14.773 386 1HD2 LEU 79 1HD2 LEU 79 -2.190 -7.879 -12.619 387 2HD2 LEU 79 2HD2 LEU 79 -2.470 -7.369 -14.301 388 3HD2 LEU 79 3HD2 LEU 79 -1.868 -9.008 -13.957 389 H VAL 80 H VAL 80 -0.719 -3.559 -10.351 390 HA VAL 80 HA VAL 80 0.461 -1.645 -12.092 391 HB VAL 80 HB VAL 80 -1.155 -1.400 -10.057 392 1HG1 VAL 80 1HG1 VAL 80 1.274 -0.708 -8.480 393 2HG1 VAL 80 2HG1 VAL 80 -0.315 -1.301 -7.944 394 3HG1 VAL 80 3HG1 VAL 80 0.875 -2.437 -8.625 395 1HG2 VAL 80 1HG2 VAL 80 -0.813 0.850 -10.191 396 2HG2 VAL 80 2HG2 VAL 80 0.951 0.710 -9.990 397 3HG2 VAL 80 3HG2 VAL 80 0.203 0.358 -11.568 398 H GLU 81 H GLU 81 2.210 -3.531 -12.511 399 HA GLU 81 HA GLU 81 4.230 -3.617 -10.518 400 2HB GLU 81 2HB GLU 81 3.891 -5.564 -11.927 401 2HG GLU 81 2HG GLU 81 3.471 -3.672 -13.985 402 H ARG 82 H ARG 82 5.957 -2.247 -10.265 403 HA ARG 82 HA ARG 82 6.966 -0.859 -12.529 404 2HB ARG 82 2HB ARG 82 5.135 0.674 -11.918 405 2HG ARG 82 2HG ARG 82 5.847 1.763 -9.447 406 2HD ARG 82 2HD ARG 82 3.838 -0.003 -8.768 407 HE ARG 82 HE ARG 82 2.705 2.118 -10.287 408 1HH1 ARG 82 2HH2 ARG 82 5.017 1.683 -7.669 409 2HH1 ARG 82 1HH2 ARG 82 4.707 3.235 -6.967 410 1HH2 ARG 82 2HH1 ARG 82 2.296 4.166 -9.360 411 2HH2 ARG 82 1HH1 ARG 82 3.148 4.657 -7.935 412 HA PRO 83 HA PRO 83 9.770 -1.797 -8.994 413 2HB PRO 83 2HB PRO 83 9.867 -4.097 -9.055 414 2HG PRO 83 2HG PRO 83 8.849 -5.056 -10.888 415 2HD PRO 83 2HD PRO 83 7.356 -3.396 -11.440 416 H CYS 84 H CYS 84 10.799 0.144 -9.037 417 HA CYS 84 HA CYS 84 12.298 1.627 -9.652 418 2HB CYS 84 2HB CYS 84 14.329 0.800 -9.392 419 HA PRO 85 HA PRO 85 10.974 2.033 -13.876 420 2HB PRO 85 2HB PRO 85 9.421 3.667 -13.405 421 2HG PRO 85 2HG PRO 85 9.604 4.590 -11.300 422 2HD PRO 85 2HD PRO 85 10.668 2.878 -10.195 423 H GLU 86 H GLU 86 12.939 4.786 -12.860 424 HA GLU 86 HA GLU 86 14.750 5.635 -13.706 425 2HB GLU 86 2HB GLU 86 15.480 2.753 -14.388 426 2HG GLU 86 2HG GLU 86 17.017 4.336 -15.466 427 H TYR 87 H TYR 87 16.079 6.038 -15.774 428 HA TYR 87 HA TYR 87 14.288 6.301 -17.938 429 2HB TYR 87 2HB TYR 87 17.313 6.366 -18.206 430 HD1 TYR 87 1HD TYR 87 15.987 6.424 -20.587 431 HD2 TYR 87 2HD TYR 87 16.171 9.614 -17.744 432 HE1 TYR 87 1HE TYR 87 15.487 8.104 -22.429 433 HE2 TYR 87 2HE TYR 87 15.671 11.284 -19.595 434 HH TYR 87 HH TYR 87 16.113 10.809 -22.615 435 H PHE 88 H PHE 88 17.234 4.241 -17.415 436 HA PHE 88 HA PHE 88 16.642 2.832 -19.873 437 2HB PHE 88 2HB PHE 88 18.957 3.603 -18.789 438 HD1 PHE 88 1HD PHE 88 18.758 -0.030 -18.243 439 HD2 PHE 88 2HD PHE 88 19.288 3.765 -16.422 440 HE1 PHE 88 1HE PHE 88 19.531 -1.151 -16.134 441 HE2 PHE 88 2HE PHE 88 20.062 2.645 -14.314 442 HZ PHE 88 HZ PHE 88 20.174 0.201 -14.195 443 H ASN 89 H ASN 89 16.181 2.519 -16.392 444 HA ASN 89 HA ASN 89 14.876 1.098 -15.333 445 2HB ASN 89 2HB ASN 89 14.870 -1.036 -17.464 446 1HD2 ASN 89 1HD2 ASN 89 14.344 -1.930 -15.256 447 2HD2 ASN 89 2HD2 ASN 89 12.687 -1.907 -14.754 448 H GLY 90 H GLY 90 16.104 0.105 -13.726 449 1HA GLY 90 1HA GLY 90 17.158 -2.311 -13.618 450 2HA GLY 90 2HA GLY 90 18.432 -1.484 -14.493 451 H ILE 91 H ILE 91 18.022 1.154 -13.200 452 HA ILE 91 HA ILE 91 19.376 0.512 -10.708 453 HB ILE 91 HB ILE 91 19.228 2.883 -12.517 454 2HG1 ILE 91 2HG1 ILE 91 21.497 2.606 -12.748 455 1HG2 ILE 91 1HG2 ILE 91 18.691 3.760 -10.279 456 2HG2 ILE 91 2HG2 ILE 91 20.176 3.014 -9.643 457 3HG2 ILE 91 3HG2 ILE 91 20.282 4.308 -10.861 458 1HD1 ILE 91 1HD1 ILE 91 21.491 1.141 -10.068 459 2HD1 ILE 91 2HD1 ILE 91 22.923 1.385 -11.098 460 3HD1 ILE 91 3HD1 ILE 91 22.105 2.785 -10.364 461 H LYS 92 H LYS 92 18.827 1.923 -8.759 462 HA LYS 92 HA LYS 92 15.987 1.731 -8.364 463 2HB LYS 92 2HB LYS 92 18.277 2.497 -6.533 464 2HG LYS 92 2HG LYS 92 15.815 1.612 -5.244 465 2HD LYS 92 2HD LYS 92 17.910 3.682 -4.976 466 2HE LYS 92 2HE LYS 92 15.506 4.460 -3.435 467 1HZ LYS 92 1HZ LYS 92 17.857 5.554 -4.299 468 2HZ LYS 92 2HZ LYS 92 16.694 6.407 -5.065 469 3HZ LYS 92 3HZ LYS 92 16.689 6.300 -3.436 470 H TYR 93 H TYR 93 15.182 3.311 -9.865 471 HA TYR 93 HA TYR 93 15.623 6.055 -8.900 472 2HB TYR 93 2HB TYR 93 14.784 5.676 -11.727 473 HD1 TYR 93 1HD TYR 93 15.012 7.809 -12.591 474 HD2 TYR 93 2HD TYR 93 18.009 6.348 -9.910 475 HE1 TYR 93 1HE TYR 93 16.319 9.973 -12.861 476 HE2 TYR 93 2HE TYR 93 19.306 8.517 -10.189 477 HH TYR 93 HH TYR 93 18.132 11.207 -11.136 478 H ASN 94 H ASN 94 13.613 4.563 -7.748 479 HA ASN 94 HA ASN 94 11.242 5.064 -9.309 480 2HB ASN 94 2HB ASN 94 11.079 2.960 -8.235 481 1HD2 ASN 94 1HD2 ASN 94 12.665 1.788 -7.457 482 2HD2 ASN 94 2HD2 ASN 94 13.460 1.988 -5.931 483 H THR 95 H THR 95 13.264 6.865 -7.410 484 HA THR 95 HA THR 95 13.084 8.587 -5.993 485 HB THR 95 HB THR 95 11.446 10.284 -6.780 486 HG1 THR 95 1HG THR 95 9.708 9.507 -8.090 487 1HG2 THR 95 1HG2 THR 95 12.453 8.510 -9.068 488 2HG2 THR 95 2HG2 THR 95 11.822 10.162 -9.265 489 3HG2 THR 95 3HG2 THR 95 13.328 9.887 -8.357 490 H THR 96 H THR 96 9.535 8.436 -6.217 491 HA THR 96 HA THR 96 9.406 8.270 -3.351 492 HB THR 96 HB THR 96 7.250 8.320 -5.530 493 HG1 THR 96 1HG THR 96 8.931 10.121 -5.258 494 1HG2 THR 96 1HG2 THR 96 5.704 8.423 -3.848 495 2HG2 THR 96 2HG2 THR 96 6.986 7.895 -2.734 496 3HG2 THR 96 3HG2 THR 96 6.672 9.630 -2.972 497 H ARG 97 H ARG 97 10.769 6.052 -3.966 498 HA ARG 97 HA ARG 97 10.810 3.901 -3.771 499 2HB ARG 97 2HB ARG 97 8.273 3.174 -2.648 500 2HG ARG 97 2HG ARG 97 11.100 3.431 -1.828 501 2HD ARG 97 2HD ARG 97 8.863 4.090 0.100 502 HE ARG 97 HE ARG 97 10.651 1.982 0.641 503 1HH1 ARG 97 2HH2 ARG 97 9.857 5.105 2.056 504 2HH1 ARG 97 1HH2 ARG 97 10.283 4.627 3.665 505 1HH2 ARG 97 2HH1 ARG 97 11.214 1.352 2.764 506 2HH2 ARG 97 1HH1 ARG 97 11.060 2.479 4.071 507 H ASN 98 H ASN 98 9.709 1.726 -4.437 508 HA ASN 98 HA ASN 98 8.009 2.296 -6.734 509 2HB ASN 98 2HB ASN 98 10.298 1.318 -7.228 510 1HD2 ASN 98 1HD2 ASN 98 11.504 0.715 -5.442 511 2HD2 ASN 98 2HD2 ASN 98 11.515 -0.896 -4.805 512 H ALA 99 H ALA 99 7.001 -0.216 -7.315 513 HA ALA 99 HA ALA 99 6.269 -1.749 -5.073 514 1HB ALA 99 1HB ALA 99 4.500 -0.629 -4.265 515 2HB ALA 99 2HB ALA 99 4.769 0.668 -5.453 516 3HB ALA 99 3HB ALA 99 3.720 -0.710 -5.863 517 H TYR 100 H TYR 100 4.016 -3.014 -5.883 518 HA TYR 100 HA TYR 100 3.485 -3.346 -8.531 519 2HB TYR 100 2HB TYR 100 6.100 -4.432 -7.588 520 HD1 TYR 100 1HD TYR 100 3.587 -5.877 -9.987 521 HD2 TYR 100 2HD TYR 100 6.612 -6.624 -7.054 522 HE1 TYR 100 1HE TYR 100 3.313 -8.380 -10.331 523 HE2 TYR 100 2HE TYR 100 6.327 -9.125 -7.408 524 HH TYR 100 HH TYR 100 3.688 -10.411 -9.139 525 H ARG 101 H ARG 101 1.482 -4.171 -8.165 526 HA ARG 101 HA ARG 101 1.391 -6.686 -6.769 527 2HB ARG 101 2HB ARG 101 0.886 -4.891 -5.060 528 2HG ARG 101 2HG ARG 101 -1.226 -4.232 -7.124 529 2HD ARG 101 2HD ARG 101 -1.559 -4.277 -4.139 530 HE ARG 101 HE ARG 101 -2.000 -1.841 -5.721 531 1HH1 ARG 101 2HH2 ARG 101 -3.000 -3.691 -2.901 532 2HH1 ARG 101 1HH2 ARG 101 -3.674 -2.322 -2.082 533 1HH2 ARG 101 2HH1 ARG 101 -2.889 -0.033 -4.642 534 2HH2 ARG 101 1HH1 ARG 101 -3.611 -0.227 -3.080 535 H GLU 102 H GLU 102 -0.450 -8.004 -7.417 536 HA GLU 102 HA GLU 102 -1.405 -7.296 -9.991 537 2HB GLU 102 2HB GLU 102 -2.007 -9.673 -8.179 538 2HG GLU 102 2HG GLU 102 -2.512 -9.406 -11.175 539 H CYS 103 H CYS 103 -3.641 -7.004 -10.634 540 HA CYS 103 HA CYS 103 -5.298 -6.097 -8.397 541 2HB CYS 103 2HB CYS 103 -5.909 -5.212 -11.164 542 H LEU 104 H LEU 104 -7.748 -6.358 -8.901 543 HA LEU 104 HA LEU 104 -8.116 -9.052 -9.926 544 2HB LEU 104 2HB LEU 104 -10.543 -8.084 -8.969 545 HG LEU 104 HG LEU 104 -8.403 -9.646 -7.499 546 1HD1 LEU 104 1HD1 LEU 104 -10.237 -8.359 -6.133 547 2HD1 LEU 104 2HD1 LEU 104 -11.288 -9.682 -6.692 548 3HD1 LEU 104 3HD1 LEU 104 -9.828 -10.047 -5.742 549 1HD2 LEU 104 1HD2 LEU 104 -9.419 -10.605 -9.628 550 2HD2 LEU 104 2HD2 LEU 104 -9.522 -11.608 -8.162 551 3HD2 LEU 104 3HD2 LEU 104 -10.949 -10.707 -8.726 552 H GLU 105 H GLU 105 -9.754 -9.570 -11.513 553 HA GLU 105 HA GLU 105 -9.786 -7.649 -13.579 554 2HB GLU 105 2HB GLU 105 -11.663 -9.833 -14.002 555 2HG GLU 105 2HG GLU 105 -8.968 -8.976 -15.115 556 H ASN 106 H ASN 106 -11.535 -7.809 -10.754 557 HA ASN 106 HA ASN 106 -14.032 -7.032 -11.984 558 2HB ASN 106 2HB ASN 106 -13.894 -6.905 -9.033 559 1HD2 ASN 106 1HD2 ASN 106 -14.778 -9.834 -10.625 560 2HD2 ASN 106 2HD2 ASN 106 -16.493 -9.599 -10.685 561 H GLY 107 H GLY 107 -11.120 -5.624 -11.186 562 1HA GLY 107 1HA GLY 107 -10.619 -3.385 -11.203 563 2HA GLY 107 2HA GLY 107 -12.301 -2.984 -10.917 564 H THR 108 H THR 108 -9.994 -5.136 -9.113 565 HA THR 108 HA THR 108 -10.167 -3.302 -6.840 566 HB THR 108 HB THR 108 -10.492 -5.585 -5.489 567 HG1 THR 108 1HG THR 108 -11.614 -7.104 -6.860 568 1HG2 THR 108 1HG2 THR 108 -13.097 -5.422 -6.328 569 2HG2 THR 108 2HG2 THR 108 -12.388 -4.281 -5.160 570 3HG2 THR 108 3HG2 THR 108 -12.497 -3.839 -6.880 571 H TRP 109 H TRP 109 -8.402 -3.393 -5.400 572 HA TRP 109 HA TRP 109 -6.000 -4.270 -6.681 573 2HB TRP 109 2HB TRP 109 -4.982 -3.395 -4.518 574 HD1 TRP 109 HD TRP 109 -7.408 -0.575 -5.013 575 HE1 TRP 109 1HE TRP 109 -6.508 1.266 -6.676 576 HE3 TRP 109 3HE TRP 109 -3.512 -3.324 -6.780 577 HZ2 TRP 109 2HZ TRP 109 -4.318 1.364 -8.503 578 HZ3 TRP 109 3HZ TRP 109 -2.041 -2.281 -8.501 579 HH2 TRP 109 HH TRP 109 -2.393 -0.021 -9.362 580 H ALA 110 H ALA 110 -4.410 -5.247 -4.627 581 HA ALA 110 HA ALA 110 -5.685 -7.830 -4.145 582 1HB ALA 110 1HB ALA 110 -3.470 -8.705 -4.020 583 2HB ALA 110 2HB ALA 110 -3.456 -7.556 -5.380 584 3HB ALA 110 3HB ALA 110 -2.762 -7.085 -3.810 585 H SER 111 H SER 111 -3.260 -7.961 -2.051 586 HA SER 111 HA SER 111 -4.959 -7.025 0.103 587 2HB SER 111 2HB SER 111 -4.410 -9.274 0.500 588 HG SER 111 HG SER 111 -1.863 -9.690 0.422 589 H ARG 112 H ARG 112 -1.513 -6.998 -1.039 590 HA ARG 112 HA ARG 112 -1.271 -4.348 -0.010 591 2HB ARG 112 2HB ARG 112 1.074 -5.838 0.905 592 2HG ARG 112 2HG ARG 112 -0.706 -4.771 2.981 593 2HD ARG 112 2HD ARG 112 1.483 -3.062 2.692 594 HE ARG 112 HE ARG 112 0.662 -4.995 4.547 595 1HH1 ARG 112 2HH2 ARG 112 3.737 -3.882 3.248 596 2HH1 ARG 112 1HH2 ARG 112 4.628 -4.266 4.683 597 1HH2 ARG 112 2HH1 ARG 112 1.837 -5.504 6.440 598 2HH2 ARG 112 1HH1 ARG 112 3.540 -5.196 6.510 599 H VAL 113 H VAL 113 0.401 -3.177 -1.107 600 HA VAL 113 HA VAL 113 1.723 -4.730 -3.221 601 HB VAL 113 HB VAL 113 0.086 -3.118 -4.020 602 1HG1 VAL 113 1HG1 VAL 113 -0.218 -1.095 -3.125 603 2HG1 VAL 113 2HG1 VAL 113 1.003 -1.517 -1.900 604 3HG1 VAL 113 3HG1 VAL 113 1.489 -0.661 -3.383 605 1HG2 VAL 113 1HG2 VAL 113 2.306 -3.565 -5.213 606 2HG2 VAL 113 2HG2 VAL 113 1.417 -2.097 -5.684 607 3HG2 VAL 113 3HG2 VAL 113 2.825 -1.976 -4.604 608 H ASN 114 H ASN 114 3.928 -4.800 -3.264 609 HA ASN 114 HA ASN 114 5.668 -2.904 -2.672 610 2HB ASN 114 2HB ASN 114 4.705 -4.234 -0.120 611 1HD2 ASN 114 1HD2 ASN 114 7.073 -1.738 -0.196 612 2HD2 ASN 114 2HD2 ASN 114 8.426 -2.628 0.419 613 H TYR 115 H TYR 115 7.745 -3.782 -3.136 614 HA TYR 115 HA TYR 115 8.308 -6.537 -2.521 615 2HB TYR 115 2HB TYR 115 8.855 -6.755 -5.125 616 HD1 TYR 115 1HD TYR 115 5.376 -5.554 -4.577 617 HD2 TYR 115 2HD TYR 115 7.967 -8.946 -4.880 618 HE1 TYR 115 1HE TYR 115 3.358 -7.099 -4.640 619 HE2 TYR 115 2HE TYR 115 5.939 -10.479 -4.942 620 HH TYR 115 HH TYR 115 3.786 -10.610 -4.989 621 H SER 116 H SER 116 10.315 -6.346 -1.661 622 HA SER 116 HA SER 116 11.971 -4.182 -2.425 623 2HB SER 116 2HB SER 116 11.899 -5.121 -0.110 624 HG SER 116 HG SER 116 13.259 -7.357 -1.357 625 H HIS 117 H HIS 117 11.163 -6.900 -4.085 626 HA HIS 117 HA HIS 117 13.741 -7.873 -4.787 627 2HB HIS 117 2HB HIS 117 12.576 -9.296 -6.323 628 HD1 HIS 117 1HD HIS 117 12.648 -11.222 -4.702 629 HD2 HIS 117 2HD HIS 117 9.797 -8.336 -3.636 630 HE1 HIS 117 1HE HIS 117 11.353 -12.191 -2.729 631 H CYS 118 H CYS 118 12.391 -4.921 -5.297 632 HA CYS 118 HA CYS 118 13.062 -4.709 -8.098 633 2HB CYS 118 2HB CYS 118 11.611 -3.070 -6.112 634 H GLU 119 H GLU 119 14.208 -3.734 -4.829 635 HA GLU 119 HA GLU 119 16.071 -1.913 -5.389 636 2HB GLU 119 2HB GLU 119 17.215 -3.874 -3.560 637 2HG GLU 119 2HG GLU 119 16.265 -1.053 -3.591 638 HA PRO 120 HA PRO 120 19.156 -5.275 -6.669 639 2HB PRO 120 2HB PRO 120 19.122 -7.234 -5.461 640 2HG PRO 120 2HG PRO 120 17.128 -7.670 -4.387 641 2HD PRO 120 2HD PRO 120 16.289 -5.537 -4.203 642 H ILE 121 H ILE 121 19.928 -5.830 -8.730 643 HA ILE 121 HA ILE 121 18.091 -5.036 -10.746 644 HB ILE 121 HB ILE 121 20.541 -4.566 -10.698 645 2HG1 ILE 121 2HG1 ILE 121 18.851 -4.792 -12.795 646 1HG2 ILE 121 1HG2 ILE 121 21.165 -7.183 -11.934 647 2HG2 ILE 121 2HG2 ILE 121 22.146 -6.139 -10.877 648 3HG2 ILE 121 3HG2 ILE 121 20.894 -7.191 -10.176 649 1HD1 ILE 121 1HD1 ILE 121 21.375 -3.582 -12.232 650 2HD1 ILE 121 2HD1 ILE 121 21.507 -4.311 -13.850 651 3HD1 ILE 121 3HD1 ILE 121 20.216 -3.134 -13.507 652 H LEU 122 H LEU 122 16.623 -6.256 -11.800 653 HA LEU 122 HA LEU 122 17.155 -8.850 -12.681 654 2HB LEU 122 2HB LEU 122 17.044 -9.555 -10.409 655 HG LEU 122 HG LEU 122 15.209 -7.550 -9.909 656 1HD1 LEU 122 1HD1 LEU 122 13.750 -10.008 -10.559 657 2HD1 LEU 122 2HD1 LEU 122 13.365 -9.351 -8.950 658 3HD1 LEU 122 3HD1 LEU 122 13.174 -8.332 -10.396 659 1HD2 LEU 122 1HD2 LEU 122 16.554 -8.195 -8.153 660 2HD2 LEU 122 2HD2 LEU 122 14.977 -8.854 -7.656 661 3HD2 LEU 122 3HD2 LEU 122 16.203 -9.926 -8.372 662 H ASP 123 H ASP 123 16.336 -6.555 -13.946 663 HA ASP 123 HA ASP 123 13.585 -7.266 -14.564 664 2HB ASP 123 2HB ASP 123 14.156 -4.448 -15.093 665 H ASP 124 H ASP 124 14.045 -8.286 -16.565 666 HA ASP 124 HA ASP 124 14.612 -6.681 -18.738 667 2HB ASP 124 2HB ASP 124 16.873 -8.643 -18.378 668 H LYS 125 H LYS 125 12.782 -7.889 -19.545 669 HA LYS 125 HA LYS 125 11.605 -9.654 -20.234 670 2HB LYS 125 2HB LYS 125 12.845 -11.012 -21.966 671 2HG LYS 125 2HG LYS 125 13.623 -8.703 -23.165 672 2HD LYS 125 2HD LYS 125 11.217 -10.252 -23.003 673 2HE LYS 125 2HE LYS 125 10.829 -7.255 -22.719 674 1HZ LYS 125 1HZ LYS 125 9.523 -7.436 -24.500 675 2HZ LYS 125 2HZ LYS 125 9.433 -9.066 -24.452 676 3HZ LYS 125 3HZ LYS 125 8.473 -8.167 -23.484 677 H GLN 126 H GLN 126 11.718 -10.223 -17.750 678 HA GLN 126 HA GLN 126 13.121 -12.744 -17.437 679 2HB GLN 126 2HB GLN 126 11.693 -11.726 -15.073 680 2HG GLN 126 2HG GLN 126 14.618 -11.690 -14.999 681 1HE2 GLN 126 1HE2 GLN 126 13.809 -14.751 -14.329 682 2HE2 GLN 126 2HE2 GLN 126 13.295 -14.636 -12.679 683 H ARG 127 H ARG 127 12.007 -14.628 -17.698 684 HA ARG 127 HA ARG 127 10.395 -16.060 -17.815 685 2HB ARG 127 2HB ARG 127 8.311 -14.628 -16.265 686 2HG ARG 127 2HG ARG 127 8.659 -17.183 -16.669 687 2HD ARG 127 2HD ARG 127 10.740 -16.590 -14.519 688 HE ARG 127 HE ARG 127 8.984 -18.844 -14.594 689 1HH1 ARG 127 2HH2 ARG 127 12.421 -18.123 -14.371 690 2HH1 ARG 127 1HH2 ARG 127 12.799 -19.572 -13.500 691 1HH2 ARG 127 2HH1 ARG 127 9.483 -20.756 -13.446 692 2HH2 ARG 127 1HH1 ARG 127 11.116 -21.079 -12.971 693 H LYS 128 H LYS 128 8.508 -16.533 -19.119 694 HA LYS 128 HA LYS 128 7.269 -14.157 -20.322 695 2HB LYS 128 2HB LYS 128 8.087 -16.693 -21.769 696 2HG LYS 128 2HG LYS 128 6.026 -15.063 -22.455 697 2HD LYS 128 2HD LYS 128 8.442 -13.841 -23.862 698 2HE LYS 128 2HE LYS 128 5.459 -13.552 -24.024 699 1HZ LYS 128 1HZ LYS 128 6.605 -11.251 -25.017 700 2HZ LYS 128 2HZ LYS 128 5.515 -11.379 -23.808 701 3HZ LYS 128 3HZ LYS 128 7.113 -11.382 -23.471 702 H TYR 129 H TYR 129 5.140 -14.076 -19.876 703 HA TYR 129 HA TYR 129 3.789 -16.109 -18.562 704 2HB TYR 129 2HB TYR 129 3.142 -13.696 -18.632 705 HD1 TYR 129 1HD TYR 129 4.329 -12.154 -20.060 706 HD2 TYR 129 2HD TYR 129 1.309 -14.718 -21.677 707 HE1 TYR 129 1HE TYR 129 4.314 -10.794 -22.208 708 HE2 TYR 129 2HE TYR 129 1.305 -13.350 -23.819 709 HH TYR 129 HH TYR 129 2.579 -11.881 -25.016 710 H ASP 130 H ASP 130 2.620 -17.885 -19.189 711 HA ASP 130 HA ASP 130 1.668 -18.066 -21.857 712 2HB ASP 130 2HB ASP 130 2.873 -20.222 -22.344 713 H LEU 131 H LEU 131 0.507 -20.332 -22.104 714 HA LEU 131 HA LEU 131 0.048 -21.808 -19.715 715 2HB LEU 131 2HB LEU 131 -2.380 -20.361 -20.712 716 HG LEU 131 HG LEU 131 -2.199 -22.342 -18.879 717 1HD1 LEU 131 1HD1 LEU 131 -1.003 -20.123 -17.574 718 2HD1 LEU 131 2HD1 LEU 131 -2.589 -20.398 -16.817 719 3HD1 LEU 131 3HD1 LEU 131 -1.404 -21.723 -16.905 720 1HD2 LEU 131 1HD2 LEU 131 -4.399 -21.878 -18.364 721 2HD2 LEU 131 2HD2 LEU 131 -4.143 -20.116 -18.350 722 3HD2 LEU 131 3HD2 LEU 131 -4.193 -20.997 -19.897 723 H HIS 132 H HIS 132 -1.408 -23.672 -20.135 724 HA HIS 132 HA HIS 132 -1.182 -24.398 -22.935 725 2HB HIS 132 2HB HIS 132 -2.173 -26.575 -21.468 726 HD1 HIS 132 1HD HIS 132 0.988 -27.262 -20.516 727 HD2 HIS 132 2HD HIS 132 -0.529 -26.285 -24.303 728 HE1 HIS 132 1HE HIS 132 2.656 -28.182 -22.213 729 HE2 HIS 132 2HE HIS 132 1.643 -27.599 -24.522 730 H TYR 133 H TYR 133 -2.984 -25.230 -24.158 731 HA TYR 133 HA TYR 133 -5.323 -23.784 -23.873 732 2HB TYR 133 2HB TYR 133 -4.829 -26.564 -25.110 733 HD1 TYR 133 1HD TYR 133 -6.160 -23.336 -26.445 734 HD2 TYR 133 2HD TYR 133 -6.979 -27.430 -25.509 735 HE1 TYR 133 1HE TYR 133 -8.429 -23.149 -27.579 736 HE2 TYR 133 2HE TYR 133 -9.243 -27.230 -26.646 737 HH TYR 133 HH TYR 133 -10.093 -24.389 -28.483 Start of MODEL 12 1 1H GLY 15 H GLY 15 -58.317 20.389 11.548 2 1HA GLY 15 1HA GLY 15 -57.572 17.818 11.840 3 2HA GLY 15 2HA GLY 15 -58.726 17.713 10.526 4 H SER 16 H SER 16 -55.575 17.607 10.882 5 HA SER 16 HA SER 16 -53.838 18.047 9.660 6 2HB SER 16 2HB SER 16 -54.160 18.707 7.247 7 HG SER 16 HG SER 16 -56.127 16.738 8.020 8 H GLY 17 H GLY 17 -52.381 19.696 9.987 9 1HA GLY 17 1HA GLY 17 -53.451 22.455 9.972 10 2HA GLY 17 2HA GLY 17 -52.223 21.870 11.078 11 H MET 18 H MET 18 -51.261 23.972 9.943 12 HA MET 18 HA MET 18 -49.403 22.933 8.010 13 2HB MET 18 2HB MET 18 -50.913 25.537 7.451 14 2HG MET 18 2HG MET 18 -49.868 23.972 5.187 15 1HE MET 18 1HE MET 18 -51.149 27.230 3.794 16 2HE MET 18 2HE MET 18 -50.987 25.465 3.637 17 3HE MET 18 3HE MET 18 -51.934 26.156 4.976 18 H LYS 19 H LYS 19 -47.372 23.637 8.538 19 HA LYS 19 HA LYS 19 -47.230 25.966 10.313 20 2HB LYS 19 2HB LYS 19 -44.824 24.828 10.617 21 2HG LYS 19 2HG LYS 19 -47.126 25.080 12.137 22 2HD LYS 19 2HD LYS 19 -47.719 22.699 11.288 23 2HE LYS 19 2HE LYS 19 -45.079 22.235 12.455 24 1HZ LYS 19 1HZ LYS 19 -47.392 20.961 13.685 25 2HZ LYS 19 2HZ LYS 19 -46.008 20.112 13.507 26 3HZ LYS 19 3HZ LYS 19 -46.015 21.489 14.385 27 H GLU 20 H GLU 20 -44.894 24.363 8.051 28 HA GLU 20 HA GLU 20 -44.964 26.437 6.203 29 2HB GLU 20 2HB GLU 20 -43.915 27.782 7.977 30 2HG GLU 20 2HG GLU 20 -41.355 26.291 7.952 31 H THR 21 H THR 21 -43.122 26.193 4.555 32 HA THR 21 HA THR 21 -41.484 23.861 4.747 33 HB THR 21 HB THR 21 -44.074 23.836 3.144 34 HG1 THR 21 1HG THR 21 -42.558 21.885 4.719 35 1HG2 THR 21 1HG2 THR 21 -43.005 21.551 2.332 36 2HG2 THR 21 2HG2 THR 21 -42.616 23.044 1.443 37 3HG2 THR 21 3HG2 THR 21 -41.457 22.382 2.621 38 H ALA 22 H ALA 22 -39.630 24.554 3.908 39 HA ALA 22 HA ALA 22 -39.306 25.293 1.296 40 1HB ALA 22 1HB ALA 22 -38.766 27.874 2.110 41 2HB ALA 22 2HB ALA 22 -40.229 27.362 1.234 42 3HB ALA 22 3HB ALA 22 -40.258 27.504 3.007 43 H ALA 23 H ALA 23 -37.157 24.990 0.896 44 HA ALA 23 HA ALA 23 -35.105 26.001 2.466 45 1HB ALA 23 1HB ALA 23 -36.273 23.463 3.411 46 2HB ALA 23 2HB ALA 23 -34.517 23.382 3.129 47 3HB ALA 23 3HB ALA 23 -35.186 24.600 4.242 48 H ALA 24 H ALA 24 -32.965 25.255 1.660 49 HA ALA 24 HA ALA 24 -33.272 24.173 -1.049 50 1HB ALA 24 1HB ALA 24 -32.005 25.936 -1.618 51 2HB ALA 24 2HB ALA 24 -31.855 26.411 0.092 52 3HB ALA 24 3HB ALA 24 -30.682 25.279 -0.624 53 H LYS 25 H LYS 25 -31.592 22.657 -1.818 54 HA LYS 25 HA LYS 25 -30.055 21.364 0.274 55 2HB LYS 25 2HB LYS 25 -30.997 19.111 -0.688 56 2HG LYS 25 2HG LYS 25 -31.484 20.642 1.612 57 2HD LYS 25 2HD LYS 25 -33.701 21.291 0.524 58 2HE LYS 25 2HE LYS 25 -33.801 18.622 -0.232 59 1HZ LYS 25 1HZ LYS 25 -34.644 18.635 2.340 60 2HZ LYS 25 2HZ LYS 25 -36.038 18.660 1.491 61 3HZ LYS 25 3HZ LYS 25 -34.949 17.469 1.238 62 H PHE 26 H PHE 26 -28.325 22.410 -0.938 63 HA PHE 26 HA PHE 26 -27.152 20.699 -2.785 64 2HB PHE 26 2HB PHE 26 -28.709 21.446 -4.463 65 HD1 PHE 26 1HD PHE 26 -27.377 24.839 -4.041 66 HD2 PHE 26 2HD PHE 26 -30.778 22.339 -3.608 67 HE1 PHE 26 1HE PHE 26 -28.829 26.865 -3.746 68 HE2 PHE 26 2HE PHE 26 -32.230 24.365 -3.313 69 HZ PHE 26 HZ PHE 26 -31.238 26.604 -3.386 70 H GLU 27 H GLU 27 -26.251 21.859 -0.447 71 HA GLU 27 HA GLU 27 -23.874 22.931 -1.192 72 2HB GLU 27 2HB GLU 27 -24.554 25.020 -1.887 73 2HG GLU 27 2HG GLU 27 -26.953 24.454 -0.161 74 H ARG 28 H ARG 28 -22.740 22.064 0.488 75 HA ARG 28 HA ARG 28 -23.616 22.798 3.137 76 2HB ARG 28 2HB ARG 28 -22.902 20.280 3.743 77 2HG ARG 28 2HG ARG 28 -25.265 21.560 3.772 78 2HD ARG 28 2HD ARG 28 -25.248 20.158 1.207 79 HE ARG 28 HE ARG 28 -27.706 19.449 2.669 80 1HH1 ARG 28 2HH2 ARG 28 -24.580 18.344 1.488 81 2HH1 ARG 28 1HH2 ARG 28 -25.012 16.668 1.536 82 1HH2 ARG 28 2HH1 ARG 28 -28.276 17.237 2.732 83 2HH2 ARG 28 1HH1 ARG 28 -27.128 16.033 2.247 84 H GLN 29 H GLN 29 -21.514 23.964 1.707 85 HA GLN 29 HA GLN 29 -19.169 22.634 2.816 86 2HB GLN 29 2HB GLN 29 -18.631 24.772 0.869 87 2HG GLN 29 2HG GLN 29 -17.666 22.118 1.645 88 1HE2 GLN 29 1HE2 GLN 29 -16.275 20.878 0.141 89 2HE2 GLN 29 2HE2 GLN 29 -16.887 20.492 -1.433 90 H HIS 30 H HIS 30 -19.829 26.034 1.733 91 HA HIS 30 HA HIS 30 -19.130 27.927 2.688 92 2HB HIS 30 2HB HIS 30 -21.442 27.637 3.427 93 HD1 HIS 30 1HD HIS 30 -23.165 26.661 5.027 94 HD2 HIS 30 2HD HIS 30 -19.212 25.872 6.189 95 HE1 HIS 30 1HE HIS 30 -23.305 24.990 6.952 96 H MET 31 H MET 31 -17.213 25.736 3.046 97 HA MET 31 HA MET 31 -15.930 26.821 5.409 98 2HB MET 31 2HB MET 31 -17.126 24.549 5.856 99 2HG MET 31 2HG MET 31 -14.792 23.562 4.141 100 1HE MET 31 1HE MET 31 -17.546 21.733 3.615 101 2HE MET 31 2HE MET 31 -16.366 20.400 3.628 102 3HE MET 31 3HE MET 31 -17.714 20.408 4.791 103 H ASP 32 H ASP 32 -13.748 27.223 5.107 104 HA ASP 32 HA ASP 32 -12.490 25.884 2.865 105 2HB ASP 32 2HB ASP 32 -12.728 27.841 1.691 106 H SER 33 H SER 33 -10.603 24.976 3.694 107 HA SER 33 HA SER 33 -9.010 26.567 5.472 108 2HB SER 33 2HB SER 33 -8.792 24.607 7.098 109 HG SER 33 HG SER 33 -11.337 25.945 6.778 110 HA PRO 34 HA PRO 34 -5.919 24.395 3.313 111 2HB PRO 34 2HB PRO 34 -4.317 25.953 3.866 112 2HG PRO 34 2HG PRO 34 -4.779 27.180 5.764 113 2HD PRO 34 2HD PRO 34 -7.071 26.995 5.820 114 H ASP 35 H ASP 35 -3.706 22.930 4.158 115 HA ASP 35 HA ASP 35 -5.179 20.616 5.093 116 2HB ASP 35 2HB ASP 35 -3.374 19.289 4.154 117 H LEU 36 H LEU 36 -4.504 19.505 7.019 118 HA LEU 36 HA LEU 36 -2.208 20.673 8.420 119 2HB LEU 36 2HB LEU 36 -4.293 19.807 10.226 120 HG LEU 36 HG LEU 36 -2.406 21.999 9.994 121 1HD1 LEU 36 1HD1 LEU 36 -4.086 23.532 9.506 122 2HD1 LEU 36 2HD1 LEU 36 -5.285 22.699 10.524 123 3HD1 LEU 36 3HD1 LEU 36 -3.959 23.617 11.279 124 1HD2 LEU 36 1HD2 LEU 36 -3.950 21.416 12.484 125 2HD2 LEU 36 2HD2 LEU 36 -2.892 20.149 11.821 126 3HD2 LEU 36 3HD2 LEU 36 -2.214 21.737 12.254 127 H GLY 37 H GLY 37 -4.657 18.005 8.779 128 1HA GLY 37 1HA GLY 37 -4.050 15.741 8.363 129 2HA GLY 37 2HA GLY 37 -2.400 16.105 8.828 130 H THR 38 H THR 38 -5.279 17.332 10.579 131 HA THR 38 HA THR 38 -4.302 16.021 12.978 132 HB THR 38 HB THR 38 -6.576 18.009 12.457 133 HG1 THR 38 1HG THR 38 -4.478 18.898 12.032 134 1HG2 THR 38 1HG2 THR 38 -5.896 18.506 14.979 135 2HG2 THR 38 2HG2 THR 38 -7.043 17.190 14.632 136 3HG2 THR 38 3HG2 THR 38 -5.333 16.817 14.958 137 H THR 39 H THR 39 -6.131 15.030 10.399 138 HA THR 39 HA THR 39 -7.092 12.769 11.728 139 HB THR 39 HB THR 39 -8.673 14.417 12.766 140 HG1 THR 39 1HG THR 39 -9.394 12.242 12.225 141 1HG2 THR 39 1HG2 THR 39 -9.259 16.153 11.333 142 2HG2 THR 39 2HG2 THR 39 -9.043 15.150 9.878 143 3HG2 THR 39 3HG2 THR 39 -10.530 15.006 10.845 144 H LEU 40 H LEU 40 -5.537 12.837 9.602 145 HA LEU 40 HA LEU 40 -6.418 13.227 7.116 146 2HB LEU 40 2HB LEU 40 -5.225 10.794 6.829 147 HG LEU 40 HG LEU 40 -4.377 13.507 6.630 148 1HD1 LEU 40 1HD1 LEU 40 -1.868 12.918 7.154 149 2HD1 LEU 40 2HD1 LEU 40 -2.951 13.532 8.427 150 3HD1 LEU 40 3HD1 LEU 40 -2.600 11.790 8.321 151 1HD2 LEU 40 1HD2 LEU 40 -4.363 12.067 4.746 152 2HD2 LEU 40 2HD2 LEU 40 -2.663 12.469 5.092 153 3HD2 LEU 40 3HD2 LEU 40 -3.316 10.883 5.566 154 H LEU 41 H LEU 41 -8.582 13.056 6.609 155 HA LEU 41 HA LEU 41 -9.898 10.530 7.210 156 2HB LEU 41 2HB LEU 41 -10.961 12.684 7.790 157 HG LEU 41 HG LEU 41 -10.316 13.554 5.232 158 1HD1 LEU 41 1HD1 LEU 41 -13.173 13.809 4.937 159 2HD1 LEU 41 2HD1 LEU 41 -11.960 13.202 3.784 160 3HD1 LEU 41 3HD1 LEU 41 -12.704 12.091 4.960 161 1HD2 LEU 41 1HD2 LEU 41 -12.241 14.578 7.321 162 2HD2 LEU 41 2HD2 LEU 41 -10.566 15.087 6.999 163 3HD2 LEU 41 3HD2 LEU 41 -11.856 15.490 5.841 164 H GLU 42 H GLU 42 -7.673 10.733 5.233 165 HA GLU 42 HA GLU 42 -7.268 9.634 3.373 166 2HB GLU 42 2HB GLU 42 -10.002 9.459 2.244 167 2HG GLU 42 2HG GLU 42 -7.553 7.996 2.214 168 H GLN 43 H GLN 43 -6.766 12.218 3.374 169 HA GLN 43 HA GLN 43 -8.070 14.045 2.023 170 2HB GLN 43 2HB GLN 43 -5.859 14.932 1.239 171 2HG GLN 43 2HG GLN 43 -4.936 13.961 3.820 172 1HE2 GLN 43 1HE2 GLN 43 -5.336 15.864 5.440 173 2HE2 GLN 43 2HE2 GLN 43 -5.046 17.451 4.808 174 H TYR 44 H TYR 44 -8.161 14.836 -0.229 175 HA TYR 44 HA TYR 44 -8.786 12.752 -2.029 176 2HB TYR 44 2HB TYR 44 -8.738 14.956 -3.564 177 HD1 TYR 44 1HD TYR 44 -10.093 14.992 -0.055 178 HD2 TYR 44 2HD TYR 44 -10.948 14.960 -4.246 179 HE1 TYR 44 1HE TYR 44 -12.584 15.092 0.446 180 HE2 TYR 44 2HE TYR 44 -13.437 15.059 -3.731 181 HH TYR 44 HH TYR 44 -14.917 14.439 -1.885 182 H CYS 45 H CYS 45 -7.030 11.411 -2.525 183 HA CYS 45 HA CYS 45 -4.454 12.154 -2.909 184 2HB CYS 45 2HB CYS 45 -4.268 10.150 -4.388 185 H HIS 46 H HIS 46 -6.543 11.292 -5.748 186 HA HIS 46 HA HIS 46 -5.987 13.825 -6.984 187 2HB HIS 46 2HB HIS 46 -4.477 11.380 -7.657 188 HD1 HIS 46 1HD HIS 46 -4.105 13.915 -10.233 189 HD2 HIS 46 2HD HIS 46 -6.438 10.464 -9.736 190 HE1 HIS 46 1HE HIS 46 -4.928 13.266 -12.560 191 H ARG 47 H ARG 47 -7.084 10.409 -7.566 192 HA ARG 47 HA ARG 47 -9.086 11.363 -9.344 193 2HB ARG 47 2HB ARG 47 -9.003 8.558 -8.175 194 2HG ARG 47 2HG ARG 47 -10.695 9.549 -9.989 195 2HD ARG 47 2HD ARG 47 -8.535 8.527 -11.849 196 HE ARG 47 HE ARG 47 -11.177 9.571 -12.172 197 1HH1 ARG 47 2HH2 ARG 47 -7.972 9.887 -13.591 198 2HH1 ARG 47 1HH2 ARG 47 -8.570 10.324 -15.158 199 1HH2 ARG 47 2HH1 ARG 47 -11.965 10.145 -14.238 200 2HH2 ARG 47 1HH1 ARG 47 -10.857 10.472 -15.528 201 H THR 48 H THR 48 -9.298 9.213 -6.405 202 HA THR 48 HA THR 48 -10.785 9.092 -4.757 203 HB THR 48 HB THR 48 -11.383 11.136 -3.743 204 HG1 THR 48 1HG THR 48 -11.364 12.422 -6.350 205 1HG2 THR 48 1HG2 THR 48 -8.896 11.205 -4.620 206 2HG2 THR 48 2HG2 THR 48 -9.533 12.334 -5.841 207 3HG2 THR 48 3HG2 THR 48 -9.651 12.734 -4.109 208 H THR 49 H THR 49 -12.343 11.128 -7.330 209 HA THR 49 HA THR 49 -14.298 10.909 -8.367 210 HB THR 49 HB THR 49 -12.962 8.471 -8.573 211 HG1 THR 49 1HG THR 49 -15.635 9.173 -9.556 212 1HG2 THR 49 1HG2 THR 49 -15.895 7.816 -8.091 213 2HG2 THR 49 2HG2 THR 49 -14.523 6.696 -8.265 214 3HG2 THR 49 3HG2 THR 49 -14.710 7.648 -6.773 215 H ILE 50 H ILE 50 -16.567 10.818 -8.060 216 HA ILE 50 HA ILE 50 -18.317 11.216 -6.746 217 HB ILE 50 HB ILE 50 -17.849 8.560 -6.943 218 2HG1 ILE 50 2HG1 ILE 50 -20.007 10.133 -6.885 219 1HG2 ILE 50 1HG2 ILE 50 -17.799 7.431 -4.955 220 2HG2 ILE 50 2HG2 ILE 50 -16.821 8.855 -4.530 221 3HG2 ILE 50 3HG2 ILE 50 -18.529 8.771 -4.040 222 1HD1 ILE 50 1HD1 ILE 50 -21.337 7.861 -6.657 223 2HD1 ILE 50 2HD1 ILE 50 -20.225 8.090 -8.027 224 3HD1 ILE 50 3HD1 ILE 50 -19.713 7.135 -6.617 225 H GLY 51 H GLY 51 -19.016 10.674 -4.101 226 1HA GLY 51 1HA GLY 51 -16.828 11.832 -2.503 227 2HA GLY 51 2HA GLY 51 -18.387 12.629 -2.564 228 H ASN 52 H ASN 52 -16.750 9.524 -1.733 229 HA ASN 52 HA ASN 52 -18.091 9.282 0.652 230 2HB ASN 52 2HB ASN 52 -19.215 7.483 -1.560 231 1HD2 ASN 52 1HD2 ASN 52 -20.691 5.951 -0.912 232 2HD2 ASN 52 2HD2 ASN 52 -20.817 5.369 0.715 233 H PHE 53 H PHE 53 -17.422 6.930 -2.061 234 HA PHE 53 HA PHE 53 -14.869 6.235 -1.228 235 2HB PHE 53 2HB PHE 53 -16.957 4.125 -0.503 236 HD1 PHE 53 1HD PHE 53 -13.766 5.713 0.636 237 HD2 PHE 53 2HD PHE 53 -15.964 2.131 0.053 238 HE1 PHE 53 1HE PHE 53 -11.794 4.374 1.423 239 HE2 PHE 53 2HE PHE 53 -13.992 0.793 0.840 240 HZ PHE 53 HZ PHE 53 -11.930 1.930 1.515 241 H SER 54 H SER 54 -17.872 4.432 -2.233 242 HA SER 54 HA SER 54 -16.367 3.647 -4.602 243 2HB SER 54 2HB SER 54 -16.943 1.688 -3.334 244 HG SER 54 HG SER 54 -19.525 2.944 -3.129 245 H GLY 55 H GLY 55 -17.476 3.710 -6.678 246 1HA GLY 55 1HA GLY 55 -20.040 5.169 -6.671 247 2HA GLY 55 2HA GLY 55 -18.687 5.743 -7.625 248 HA PRO 56 HA PRO 56 -20.653 3.008 -10.513 249 2HB PRO 56 2HB PRO 56 -21.304 4.697 -11.937 250 2HG PRO 56 2HG PRO 56 -20.333 6.745 -11.510 251 2HD PRO 56 2HD PRO 56 -19.814 6.495 -9.285 252 H TYR 57 H TYR 57 -19.435 2.515 -13.030 253 HA TYR 57 HA TYR 57 -18.058 0.929 -13.790 254 2HB TYR 57 2HB TYR 57 -16.683 3.054 -13.744 255 HD1 TYR 57 1HD TYR 57 -15.165 0.990 -11.011 256 HD2 TYR 57 2HD TYR 57 -16.582 4.838 -12.232 257 HE1 TYR 57 1HE TYR 57 -14.289 2.006 -8.852 258 HE2 TYR 57 2HE TYR 57 -15.701 5.840 -10.069 259 HH TYR 57 HH TYR 57 -13.497 4.580 -8.267 260 H THR 58 H THR 58 -15.864 -0.444 -13.045 261 HA THR 58 HA THR 58 -16.194 -1.354 -10.305 262 HB THR 58 HB THR 58 -16.444 -3.319 -12.630 263 HG1 THR 58 1HG THR 58 -18.796 -3.118 -11.887 264 1HG2 THR 58 1HG2 THR 58 -16.431 -4.818 -10.903 265 2HG2 THR 58 2HG2 THR 58 -16.370 -3.501 -9.707 266 3HG2 THR 58 3HG2 THR 58 -17.939 -4.068 -10.328 267 H TYR 59 H TYR 59 -14.211 -0.031 -12.339 268 HA TYR 59 HA TYR 59 -12.105 -1.992 -12.422 269 2HB TYR 59 2HB TYR 59 -12.396 -0.308 -14.215 270 HD1 TYR 59 1HD TYR 59 -11.365 1.713 -11.214 271 HD2 TYR 59 2HD TYR 59 -13.773 1.476 -14.742 272 HE1 TYR 59 1HE TYR 59 -12.238 4.063 -10.785 273 HE2 TYR 59 2HE TYR 59 -14.636 3.827 -14.303 274 HH TYR 59 HH TYR 59 -13.669 5.584 -11.379 275 H CYS 60 H CYS 60 -9.798 -0.915 -11.752 276 HA CYS 60 HA CYS 60 -9.894 -0.853 -8.940 277 2HB CYS 60 2HB CYS 60 -7.580 -0.857 -8.990 278 H ASN 61 H ASN 61 -10.178 0.905 -7.594 279 HA ASN 61 HA ASN 61 -10.119 3.503 -8.898 280 2HB ASN 61 2HB ASN 61 -11.457 2.564 -6.306 281 1HD2 ASN 61 1HD2 ASN 61 -11.788 4.069 -4.875 282 2HD2 ASN 61 2HD2 ASN 61 -11.864 5.780 -5.136 283 H THR 62 H THR 62 -9.339 5.356 -7.375 284 HA THR 62 HA THR 62 -6.765 4.834 -6.461 285 HB THR 62 HB THR 62 -8.732 7.063 -6.524 286 HG1 THR 62 1HG THR 62 -5.811 6.775 -6.607 287 1HG2 THR 62 1HG2 THR 62 -6.362 7.181 -4.593 288 2HG2 THR 62 2HG2 THR 62 -7.540 8.473 -4.931 289 3HG2 THR 62 3HG2 THR 62 -8.049 7.012 -4.049 290 H THR 63 H THR 63 -5.945 3.898 -4.701 291 HA THR 63 HA THR 63 -7.343 4.141 -2.186 292 HB THR 63 HB THR 63 -7.151 1.556 -3.779 293 HG1 THR 63 1HG THR 63 -9.034 2.996 -2.048 294 1HG2 THR 63 1HG2 THR 63 -7.720 1.729 -0.784 295 2HG2 THR 63 2HG2 THR 63 -7.551 0.262 -1.777 296 3HG2 THR 63 3HG2 THR 63 -6.123 1.261 -1.416 297 H LEU 64 H LEU 64 -6.038 3.294 -0.360 298 HA LEU 64 HA LEU 64 -3.195 3.257 -1.100 299 2HB LEU 64 2HB LEU 64 -3.541 5.377 -0.185 300 HG LEU 64 HG LEU 64 -5.678 4.264 1.311 301 1HD1 LEU 64 1HD1 LEU 64 -4.003 5.771 3.263 302 2HD1 LEU 64 2HD1 LEU 64 -5.255 4.534 3.530 303 3HD1 LEU 64 3HD1 LEU 64 -3.629 4.051 2.992 304 1HD2 LEU 64 1HD2 LEU 64 -4.800 7.087 1.727 305 2HD2 LEU 64 2HD2 LEU 64 -5.222 6.563 0.079 306 3HD2 LEU 64 3HD2 LEU 64 -6.417 6.423 1.392 307 H ASP 65 H ASP 65 -2.093 1.484 -0.437 308 HA ASP 65 HA ASP 65 -3.560 -0.376 1.191 309 2HB ASP 65 2HB ASP 65 -0.755 -0.860 0.174 310 H GLN 66 H GLN 66 -1.470 -1.767 2.491 311 HA GLN 66 HA GLN 66 -1.129 -0.525 4.798 312 2HB GLN 66 2HB GLN 66 1.222 -2.090 3.720 313 2HG GLN 66 2HG GLN 66 -0.292 -1.808 6.325 314 1HE2 GLN 66 1HE2 GLN 66 2.570 -3.343 6.722 315 2HE2 GLN 66 2HE2 GLN 66 2.059 -4.991 6.876 316 H ILE 67 H ILE 67 0.615 0.166 1.793 317 HA ILE 67 HA ILE 67 2.479 1.896 3.212 318 HB ILE 67 HB ILE 67 3.429 2.167 0.883 319 2HG1 ILE 67 2HG1 ILE 67 1.292 1.407 -0.251 320 1HG2 ILE 67 1HG2 ILE 67 4.812 0.353 1.177 321 2HG2 ILE 67 2HG2 ILE 67 4.101 0.512 2.802 322 3HG2 ILE 67 3HG2 ILE 67 3.484 -0.723 1.677 323 1HD1 ILE 67 1HD1 ILE 67 3.152 -0.431 -1.487 324 2HD1 ILE 67 2HD1 ILE 67 2.643 1.180 -2.050 325 3HD1 ILE 67 3HD1 ILE 67 4.037 1.019 -0.954 326 H GLY 68 H GLY 68 1.633 3.832 3.796 327 1HA GLY 68 1HA GLY 68 -0.540 5.138 3.123 328 2HA GLY 68 2HA GLY 68 0.982 5.981 3.325 329 H THR 69 H THR 69 2.404 5.016 1.018 330 HA THR 69 HA THR 69 1.885 6.812 -0.885 331 HB THR 69 HB THR 69 3.797 5.186 -0.819 332 HG1 THR 69 1HG THR 69 3.545 6.150 -2.850 333 1HG2 THR 69 1HG2 THR 69 1.696 3.230 -0.919 334 2HG2 THR 69 2HG2 THR 69 2.553 3.146 -2.476 335 3HG2 THR 69 3HG2 THR 69 3.451 2.932 -0.954 336 H CYS 70 H CYS 70 -0.193 7.429 -1.347 337 HA CYS 70 HA CYS 70 -2.325 5.765 -1.713 338 2HB CYS 70 2HB CYS 70 -1.900 8.316 -3.271 339 H TRP 71 H TRP 71 -3.491 5.463 -3.970 340 HA TRP 71 HA TRP 71 -1.509 4.883 -6.048 341 2HB TRP 71 2HB TRP 71 -2.663 2.742 -6.503 342 HD1 TRP 71 HD TRP 71 -1.730 3.482 -2.762 343 HE1 TRP 71 1HE TRP 71 0.273 1.943 -1.998 344 HE3 TRP 71 3HE TRP 71 -1.182 1.089 -7.215 345 HZ2 TRP 71 2HZ TRP 71 1.826 -0.058 -3.313 346 HZ3 TRP 71 3HZ TRP 71 0.601 -0.644 -7.390 347 HH2 TRP 71 HH TRP 71 2.076 -1.230 -5.532 348 HA PRO 72 HA PRO 72 -4.637 7.028 -8.221 349 2HB PRO 72 2HB PRO 72 -3.084 8.204 -9.450 350 2HG PRO 72 2HG PRO 72 -0.966 7.293 -9.449 351 2HD PRO 72 2HD PRO 72 -1.037 6.096 -7.487 352 H GLN 73 H GLN 73 -6.536 6.608 -9.252 353 HA GLN 73 HA GLN 73 -7.466 4.167 -9.378 354 2HB GLN 73 2HB GLN 73 -7.966 6.465 -11.302 355 2HG GLN 73 2HG GLN 73 -10.201 4.656 -11.161 356 1HE2 GLN 73 1HE2 GLN 73 -7.493 4.429 -13.407 357 2HE2 GLN 73 2HE2 GLN 73 -8.214 5.282 -14.732 358 H SER 74 H SER 74 -7.570 2.361 -10.806 359 HA SER 74 HA SER 74 -5.855 2.535 -13.137 360 2HB SER 74 2HB SER 74 -4.287 1.142 -12.305 361 HG SER 74 HG SER 74 -5.922 1.519 -9.995 362 H ALA 75 H ALA 75 -6.086 0.159 -14.317 363 HA ALA 75 HA ALA 75 -8.983 -0.316 -14.387 364 1HB ALA 75 1HB ALA 75 -8.790 -0.088 -16.611 365 2HB ALA 75 2HB ALA 75 -7.069 0.315 -16.399 366 3HB ALA 75 3HB ALA 75 -7.562 -1.375 -16.662 367 HA PRO 76 HA PRO 76 -8.294 -4.431 -13.250 368 2HB PRO 76 2HB PRO 76 -10.549 -4.880 -13.125 369 2HG PRO 76 2HG PRO 76 -11.876 -3.517 -14.427 370 2HD PRO 76 2HD PRO 76 -10.512 -1.676 -14.614 371 H GLY 77 H GLY 77 -7.207 -6.360 -13.645 372 1HA GLY 77 1HA GLY 77 -6.145 -7.887 -14.960 373 2HA GLY 77 2HA GLY 77 -6.746 -7.090 -16.399 374 H ALA 78 H ALA 78 -5.376 -4.829 -14.185 375 HA ALA 78 HA ALA 78 -3.020 -4.634 -15.895 376 1HB ALA 78 1HB ALA 78 -4.260 -2.732 -13.866 377 2HB ALA 78 2HB ALA 78 -2.824 -2.380 -14.857 378 3HB ALA 78 3HB ALA 78 -4.404 -2.631 -15.637 379 H LEU 79 H LEU 79 -1.301 -3.288 -14.083 380 HA LEU 79 HA LEU 79 -1.028 -4.598 -11.634 381 2HB LEU 79 2HB LEU 79 -0.621 -6.595 -12.910 382 HG LEU 79 HG LEU 79 0.524 -5.152 -14.893 383 1HD1 LEU 79 1HD1 LEU 79 2.687 -4.737 -14.639 384 2HD1 LEU 79 2HD1 LEU 79 2.577 -5.324 -12.961 385 3HD1 LEU 79 3HD1 LEU 79 3.011 -6.448 -14.271 386 1HD2 LEU 79 1HD2 LEU 79 -0.008 -7.844 -14.332 387 2HD2 LEU 79 2HD2 LEU 79 0.380 -7.119 -15.912 388 3HD2 LEU 79 3HD2 LEU 79 1.677 -7.806 -14.905 389 H VAL 80 H VAL 80 0.085 -3.161 -10.428 390 HA VAL 80 HA VAL 80 1.769 -1.263 -11.881 391 HB VAL 80 HB VAL 80 0.321 -1.224 -9.242 392 1HG1 VAL 80 1HG1 VAL 80 2.712 0.351 -10.078 393 2HG1 VAL 80 2HG1 VAL 80 1.393 1.232 -9.270 394 3HG1 VAL 80 3HG1 VAL 80 2.172 -0.146 -8.457 395 1HG2 VAL 80 1HG2 VAL 80 0.221 0.474 -11.751 396 2HG2 VAL 80 2HG2 VAL 80 -1.050 -0.586 -11.096 397 3HG2 VAL 80 3HG2 VAL 80 -0.601 0.904 -10.232 398 H GLU 81 H GLU 81 3.210 -3.381 -12.008 399 HA GLU 81 HA GLU 81 4.549 -3.983 -9.576 400 2HB GLU 81 2HB GLU 81 4.224 -5.718 -11.280 401 2HG GLU 81 2HG GLU 81 5.997 -3.930 -13.010 402 H ARG 82 H ARG 82 6.430 -3.092 -8.776 403 HA ARG 82 HA ARG 82 8.278 -1.861 -10.496 404 2HB ARG 82 2HB ARG 82 6.829 0.060 -10.497 405 2HG ARG 82 2HG ARG 82 6.539 -0.490 -7.513 406 2HD ARG 82 2HD ARG 82 6.166 2.041 -9.089 407 HE ARG 82 HE ARG 82 3.867 0.983 -8.045 408 1HH1 ARG 82 2HH2 ARG 82 5.928 3.629 -6.981 409 2HH1 ARG 82 1HH2 ARG 82 4.635 4.507 -6.234 410 1HH2 ARG 82 2HH1 ARG 82 2.159 2.140 -7.061 411 2HH2 ARG 82 1HH1 ARG 82 2.477 3.654 -6.281 412 HA PRO 83 HA PRO 83 9.607 -3.297 -6.337 413 2HB PRO 83 2HB PRO 83 9.400 -5.579 -6.559 414 2HG PRO 83 2HG PRO 83 8.926 -6.299 -8.699 415 2HD PRO 83 2HD PRO 83 7.947 -4.405 -9.560 416 H CYS 84 H CYS 84 11.216 -2.239 -5.366 417 HA CYS 84 HA CYS 84 13.145 -1.220 -5.137 418 2HB CYS 84 2HB CYS 84 15.148 -2.059 -6.247 419 HA PRO 85 HA PRO 85 12.831 1.914 -8.164 420 2HB PRO 85 2HB PRO 85 13.043 3.566 -6.575 421 2HG PRO 85 2HG PRO 85 13.998 2.879 -4.591 422 2HD PRO 85 2HD PRO 85 13.513 0.633 -4.662 423 H GLU 86 H GLU 86 15.750 0.242 -7.539 424 HA GLU 86 HA GLU 86 17.186 1.440 -9.635 425 2HB GLU 86 2HB GLU 86 18.105 -1.250 -9.084 426 2HG GLU 86 2HG GLU 86 20.074 -0.108 -8.312 427 H TYR 87 H TYR 87 18.187 -0.315 -11.371 428 HA TYR 87 HA TYR 87 16.088 -2.031 -12.393 429 2HB TYR 87 2HB TYR 87 17.296 -0.216 -14.428 430 HD1 TYR 87 1HD TYR 87 16.054 -0.486 -16.361 431 HD2 TYR 87 2HD TYR 87 14.059 -0.749 -12.584 432 HE1 TYR 87 1HE TYR 87 13.860 -0.983 -17.546 433 HE2 TYR 87 2HE TYR 87 11.873 -1.245 -13.782 434 HH TYR 87 HH TYR 87 11.785 -1.568 -17.315 435 H PHE 88 H PHE 88 18.677 -2.577 -11.232 436 HA PHE 88 HA PHE 88 20.087 -3.488 -13.642 437 2HB PHE 88 2HB PHE 88 21.144 -1.669 -12.084 438 HD1 PHE 88 1HD PHE 88 19.855 -1.614 -9.892 439 HD2 PHE 88 2HD PHE 88 22.932 -4.430 -10.676 440 HE1 PHE 88 1HE PHE 88 20.097 -2.036 -7.429 441 HE2 PHE 88 2HE PHE 88 23.174 -4.851 -8.214 442 HZ PHE 88 HZ PHE 88 21.754 -3.650 -6.619 443 H ASN 89 H ASN 89 19.355 -4.147 -10.153 444 HA ASN 89 HA ASN 89 18.719 -6.056 -9.248 445 2HB ASN 89 2HB ASN 89 19.716 -7.887 -11.408 446 1HD2 ASN 89 1HD2 ASN 89 16.890 -6.545 -9.703 447 2HD2 ASN 89 2HD2 ASN 89 16.195 -8.053 -9.209 448 H GLY 90 H GLY 90 20.094 -6.829 -7.632 449 1HA GLY 90 1HA GLY 90 22.251 -8.438 -7.847 450 2HA GLY 90 2HA GLY 90 22.945 -6.849 -8.100 451 H ILE 91 H ILE 91 22.824 -5.223 -6.399 452 HA ILE 91 HA ILE 91 21.544 -5.667 -3.964 453 HB ILE 91 HB ILE 91 23.261 -7.529 -3.928 454 2HG1 ILE 91 2HG1 ILE 91 23.980 -6.830 -1.510 455 1HG2 ILE 91 1HG2 ILE 91 25.058 -5.901 -4.878 456 2HG2 ILE 91 2HG2 ILE 91 25.269 -5.427 -3.176 457 3HG2 ILE 91 3HG2 ILE 91 25.520 -7.119 -3.666 458 1HD1 ILE 91 1HD1 ILE 91 21.807 -4.776 -2.113 459 2HD1 ILE 91 2HD1 ILE 91 22.624 -5.048 -0.555 460 3HD1 ILE 91 3HD1 ILE 91 23.531 -4.372 -1.930 461 H LYS 92 H LYS 92 20.996 -3.491 -4.226 462 HA LYS 92 HA LYS 92 22.706 -1.629 -3.122 463 2HB LYS 92 2HB LYS 92 22.576 -0.863 -5.981 464 2HG LYS 92 2HG LYS 92 23.660 0.451 -4.068 465 2HD LYS 92 2HD LYS 92 25.997 -1.442 -4.345 466 2HE LYS 92 2HE LYS 92 25.044 0.148 -1.929 467 1HZ LYS 92 1HZ LYS 92 27.724 0.087 -2.095 468 2HZ LYS 92 2HZ LYS 92 26.819 -0.907 -1.169 469 3HZ LYS 92 3HZ LYS 92 27.319 -1.396 -2.645 470 H TYR 93 H TYR 93 20.136 -2.321 -2.599 471 HA TYR 93 HA TYR 93 18.485 -0.313 -3.952 472 2HB TYR 93 2HB TYR 93 17.719 -2.709 -3.834 473 HD1 TYR 93 1HD TYR 93 19.011 -4.456 -2.830 474 HD2 TYR 93 2HD TYR 93 16.882 -1.680 -0.368 475 HE1 TYR 93 1HE TYR 93 19.425 -5.928 -0.800 476 HE2 TYR 93 2HE TYR 93 17.304 -3.162 1.655 477 HH TYR 93 HH TYR 93 18.529 -6.351 1.327 478 H ASN 94 H ASN 94 17.794 1.505 -2.909 479 HA ASN 94 HA ASN 94 18.584 1.703 -0.124 480 2HB ASN 94 2HB ASN 94 19.504 3.554 -1.280 481 1HD2 ASN 94 1HD2 ASN 94 19.302 2.511 -3.460 482 2HD2 ASN 94 2HD2 ASN 94 18.351 3.320 -4.663 483 H THR 95 H THR 95 15.929 0.950 -2.058 484 HA THR 95 HA THR 95 13.701 1.127 -1.887 485 HB THR 95 HB THR 95 12.895 0.436 0.362 486 HG1 THR 95 1HG THR 95 14.071 1.389 1.977 487 1HG2 THR 95 1HG2 THR 95 13.846 -1.606 -0.011 488 2HG2 THR 95 2HG2 THR 95 15.112 -0.853 -1.009 489 3HG2 THR 95 3HG2 THR 95 15.343 -1.013 0.748 490 H THR 96 H THR 96 13.411 3.219 -2.754 491 HA THR 96 HA THR 96 13.067 5.321 -0.726 492 HB THR 96 HB THR 96 13.452 5.457 -3.763 493 HG1 THR 96 1HG THR 96 15.232 4.733 -2.186 494 1HG2 THR 96 1HG2 THR 96 13.045 7.698 -3.586 495 2HG2 THR 96 2HG2 THR 96 12.502 7.433 -1.911 496 3HG2 THR 96 3HG2 THR 96 14.208 7.818 -2.243 497 H ARG 97 H ARG 97 11.520 3.936 -3.697 498 HA ARG 97 HA ARG 97 9.016 4.084 -2.413 499 2HB ARG 97 2HB ARG 97 9.055 6.426 -3.052 500 2HG ARG 97 2HG ARG 97 9.202 6.405 -5.886 501 2HD ARG 97 2HD ARG 97 11.679 7.332 -5.040 502 HE ARG 97 HE ARG 97 9.233 8.507 -5.833 503 1HH1 ARG 97 2HH2 ARG 97 11.960 9.325 -3.764 504 2HH1 ARG 97 1HH2 ARG 97 11.786 11.033 -3.995 505 1HH2 ARG 97 2HH1 ARG 97 9.005 10.761 -6.138 506 2HH2 ARG 97 1HH1 ARG 97 10.094 11.855 -5.354 507 H ASN 98 H ASN 98 9.355 1.773 -3.016 508 HA ASN 98 HA ASN 98 8.710 1.371 -5.830 509 2HB ASN 98 2HB ASN 98 11.036 0.624 -5.412 510 1HD2 ASN 98 1HD2 ASN 98 9.335 -2.095 -4.017 511 2HD2 ASN 98 2HD2 ASN 98 10.189 -2.177 -2.512 512 H ALA 99 H ALA 99 7.741 -1.035 -6.061 513 HA ALA 99 HA ALA 99 6.709 -2.457 -3.984 514 1HB ALA 99 1HB ALA 99 4.256 -1.143 -4.687 515 2HB ALA 99 2HB ALA 99 5.026 -1.273 -3.088 516 3HB ALA 99 3HB ALA 99 5.421 0.093 -4.159 517 H TYR 100 H TYR 100 4.177 -3.233 -4.950 518 HA TYR 100 HA TYR 100 4.044 -3.435 -7.736 519 2HB TYR 100 2HB TYR 100 5.706 -5.381 -6.135 520 HD1 TYR 100 1HD TYR 100 3.574 -5.686 -9.222 521 HD2 TYR 100 2HD TYR 100 5.298 -7.635 -5.826 522 HE1 TYR 100 1HE TYR 100 2.486 -7.876 -9.917 523 HE2 TYR 100 2HE TYR 100 4.204 -9.818 -6.532 524 HH TYR 100 HH TYR 100 1.735 -9.969 -8.724 525 H ARG 101 H ARG 101 1.942 -3.903 -8.175 526 HA ARG 101 HA ARG 101 0.617 -5.807 -6.484 527 2HB ARG 101 2HB ARG 101 -1.248 -3.633 -6.845 528 2HG ARG 101 2HG ARG 101 0.101 -4.202 -4.207 529 2HD ARG 101 2HD ARG 101 -2.732 -3.716 -5.208 530 HE ARG 101 HE ARG 101 -2.173 -5.478 -3.120 531 1HH1 ARG 101 2HH2 ARG 101 -3.744 -2.340 -3.381 532 2HH1 ARG 101 1HH2 ARG 101 -4.798 -2.613 -2.033 533 1HH2 ARG 101 2HH1 ARG 101 -3.563 -5.839 -1.343 534 2HH2 ARG 101 1HH1 ARG 101 -4.695 -4.616 -0.866 535 H GLU 102 H GLU 102 -1.121 -6.872 -7.585 536 HA GLU 102 HA GLU 102 -1.277 -6.141 -10.395 537 2HB GLU 102 2HB GLU 102 -0.529 -8.401 -10.140 538 2HG GLU 102 2HG GLU 102 -2.841 -8.684 -8.168 539 H CYS 103 H CYS 103 -3.329 -5.922 -11.452 540 HA CYS 103 HA CYS 103 -5.506 -5.472 -9.552 541 2HB CYS 103 2HB CYS 103 -6.144 -4.363 -12.075 542 H LEU 104 H LEU 104 -6.778 -7.306 -9.472 543 HA LEU 104 HA LEU 104 -6.836 -9.288 -11.379 544 2HB LEU 104 2HB LEU 104 -9.297 -9.453 -10.188 545 HG LEU 104 HG LEU 104 -6.631 -10.300 -9.027 546 1HD1 LEU 104 1HD1 LEU 104 -9.029 -10.127 -7.642 547 2HD1 LEU 104 2HD1 LEU 104 -8.953 -11.829 -8.157 548 3HD1 LEU 104 3HD1 LEU 104 -7.620 -11.126 -7.211 549 1HD2 LEU 104 1HD2 LEU 104 -8.708 -11.832 -10.616 550 2HD2 LEU 104 2HD2 LEU 104 -7.108 -11.305 -11.190 551 3HD2 LEU 104 3HD2 LEU 104 -7.232 -12.518 -9.894 552 H GLU 105 H GLU 105 -8.834 -9.964 -12.699 553 HA GLU 105 HA GLU 105 -9.372 -7.802 -14.452 554 2HB GLU 105 2HB GLU 105 -8.959 -10.091 -15.290 555 2HG GLU 105 2HG GLU 105 -11.409 -10.682 -13.609 556 H ASN 106 H ASN 106 -10.622 -8.488 -11.488 557 HA ASN 106 HA ASN 106 -13.370 -8.010 -12.261 558 2HB ASN 106 2HB ASN 106 -12.973 -8.153 -9.381 559 1HD2 ASN 106 1HD2 ASN 106 -13.183 -10.869 -11.618 560 2HD2 ASN 106 2HD2 ASN 106 -14.870 -11.208 -11.419 561 H GLY 107 H GLY 107 -10.575 -6.279 -11.633 562 1HA GLY 107 1HA GLY 107 -10.297 -4.042 -11.341 563 2HA GLY 107 2HA GLY 107 -12.011 -3.858 -11.028 564 H THR 108 H THR 108 -9.417 -5.846 -9.430 565 HA THR 108 HA THR 108 -9.796 -4.276 -6.997 566 HB THR 108 HB THR 108 -10.154 -6.369 -5.691 567 HG1 THR 108 1HG THR 108 -10.341 -7.529 -8.376 568 1HG2 THR 108 1HG2 THR 108 -12.197 -5.232 -6.752 569 2HG2 THR 108 2HG2 THR 108 -12.039 -6.383 -8.102 570 3HG2 THR 108 3HG2 THR 108 -12.388 -6.979 -6.461 571 H TRP 109 H TRP 109 -7.972 -4.048 -5.759 572 HA TRP 109 HA TRP 109 -5.526 -4.576 -7.044 573 2HB TRP 109 2HB TRP 109 -4.641 -3.908 -4.699 574 HD1 TRP 109 HD TRP 109 -7.044 -1.118 -4.917 575 HE1 TRP 109 1HE TRP 109 -6.214 0.884 -6.423 576 HE3 TRP 109 3HE TRP 109 -3.246 -3.671 -7.132 577 HZ2 TRP 109 2HZ TRP 109 -4.109 1.168 -8.328 578 HZ3 TRP 109 3HZ TRP 109 -1.852 -2.457 -8.804 579 HH2 TRP 109 HH TRP 109 -2.233 -0.121 -9.412 580 H ALA 110 H ALA 110 -3.783 -5.586 -5.137 581 HA ALA 110 HA ALA 110 -4.580 -8.370 -5.125 582 1HB ALA 110 1HB ALA 110 -1.965 -7.580 -3.985 583 2HB ALA 110 2HB ALA 110 -2.350 -8.779 -5.243 584 3HB ALA 110 3HB ALA 110 -2.227 -7.054 -5.664 585 H SER 111 H SER 111 -2.739 -8.900 -2.783 586 HA SER 111 HA SER 111 -4.716 -8.227 -0.765 587 2HB SER 111 2HB SER 111 -2.575 -10.186 -0.107 588 HG SER 111 HG SER 111 -4.749 -11.401 0.290 589 H ARG 112 H ARG 112 -1.177 -8.278 -1.485 590 HA ARG 112 HA ARG 112 -0.899 -6.163 0.464 591 2HB ARG 112 2HB ARG 112 1.442 -7.937 0.515 592 2HG ARG 112 2HG ARG 112 -0.552 -7.038 2.649 593 2HD ARG 112 2HD ARG 112 1.655 -7.463 4.068 594 HE ARG 112 HE ARG 112 -0.631 -9.067 3.590 595 1HH1 ARG 112 2HH2 ARG 112 2.690 -9.502 4.668 596 2HH1 ARG 112 1HH2 ARG 112 2.330 -10.896 5.631 597 1HH2 ARG 112 2HH1 ARG 112 -1.107 -10.907 4.860 598 2HH2 ARG 112 1HH1 ARG 112 0.156 -11.700 5.741 599 H VAL 113 H VAL 113 0.805 -4.661 -0.066 600 HA VAL 113 HA VAL 113 2.025 -5.165 -2.692 601 HB VAL 113 HB VAL 113 0.236 -3.356 -2.436 602 1HG1 VAL 113 1HG1 VAL 113 0.747 -2.273 -0.419 603 2HG1 VAL 113 2HG1 VAL 113 2.480 -2.155 -0.810 604 3HG1 VAL 113 3HG1 VAL 113 1.302 -1.132 -1.667 605 1HG2 VAL 113 1HG2 VAL 113 1.104 -2.481 -4.307 606 2HG2 VAL 113 2HG2 VAL 113 2.550 -1.886 -3.456 607 3HG2 VAL 113 3HG2 VAL 113 2.491 -3.566 -4.044 608 H ASN 114 H ASN 114 4.036 -3.448 -2.860 609 HA ASN 114 HA ASN 114 5.933 -2.699 -2.024 610 2HB ASN 114 2HB ASN 114 5.629 -4.083 0.652 611 1HD2 ASN 114 1HD2 ASN 114 7.801 -3.817 0.930 612 2HD2 ASN 114 2HD2 ASN 114 8.581 -2.280 1.097 613 H TYR 115 H TYR 115 5.050 -5.878 -0.455 614 HA TYR 115 HA TYR 115 6.043 -7.860 -0.434 615 2HB TYR 115 2HB TYR 115 7.269 -8.367 -2.707 616 HD1 TYR 115 1HD TYR 115 5.731 -10.028 -3.272 617 HD2 TYR 115 2HD TYR 115 4.399 -5.972 -2.998 618 HE1 TYR 115 1HE TYR 115 3.446 -10.713 -4.152 619 HE2 TYR 115 2HE TYR 115 2.117 -6.670 -3.879 620 HH TYR 115 HH TYR 115 0.757 -8.629 -3.995 621 H SER 116 H SER 116 7.643 -8.281 1.000 622 HA SER 116 HA SER 116 9.974 -6.666 0.992 623 2HB SER 116 2HB SER 116 9.870 -9.175 2.625 624 HG SER 116 HG SER 116 10.307 -7.441 4.298 625 H HIS 117 H HIS 117 9.042 -9.096 -1.028 626 HA HIS 117 HA HIS 117 11.681 -10.351 -1.083 627 2HB HIS 117 2HB HIS 117 9.374 -11.625 -0.946 628 HD1 HIS 117 1HD HIS 117 8.936 -13.564 -3.343 629 HD2 HIS 117 2HD HIS 117 8.750 -9.382 -3.607 630 HE1 HIS 117 1HE HIS 117 7.507 -13.040 -5.391 631 H CYS 118 H CYS 118 11.209 -7.600 -1.986 632 HA CYS 118 HA CYS 118 10.676 -7.140 -4.540 633 2HB CYS 118 2HB CYS 118 13.135 -6.117 -3.104 634 H GLU 119 H GLU 119 13.789 -8.513 -3.261 635 HA GLU 119 HA GLU 119 14.064 -10.199 -5.462 636 2HB GLU 119 2HB GLU 119 14.870 -8.621 -6.925 637 2HG GLU 119 2HG GLU 119 15.876 -7.071 -4.492 638 HA PRO 120 HA PRO 120 16.382 -11.417 -1.842 639 2HB PRO 120 2HB PRO 120 14.781 -12.852 -1.016 640 2HG PRO 120 2HG PRO 120 13.051 -13.306 -2.473 641 2HD PRO 120 2HD PRO 120 13.143 -11.437 -3.809 642 H ILE 121 H ILE 121 17.826 -10.713 -3.919 643 HA ILE 121 HA ILE 121 18.997 -12.778 -5.342 644 HB ILE 121 HB ILE 121 20.216 -10.155 -4.471 645 2HG1 ILE 121 2HG1 ILE 121 18.309 -9.439 -5.530 646 1HG2 ILE 121 1HG2 ILE 121 21.673 -10.368 -6.371 647 2HG2 ILE 121 2HG2 ILE 121 21.826 -11.827 -5.365 648 3HG2 ILE 121 3HG2 ILE 121 20.879 -11.880 -6.871 649 1HD1 ILE 121 1HD1 ILE 121 20.227 -8.608 -6.846 650 2HD1 ILE 121 2HD1 ILE 121 20.199 -10.084 -7.841 651 3HD1 ILE 121 3HD1 ILE 121 18.842 -8.934 -7.916 652 H LEU 122 H LEU 122 20.599 -14.264 -4.943 653 HA LEU 122 HA LEU 122 21.339 -14.565 -2.167 654 2HB LEU 122 2HB LEU 122 20.536 -16.460 -3.496 655 HG LEU 122 HG LEU 122 22.366 -15.634 -5.478 656 1HD1 LEU 122 1HD1 LEU 122 23.436 -17.846 -3.833 657 2HD1 LEU 122 2HD1 LEU 122 23.437 -18.118 -5.592 658 3HD1 LEU 122 3HD1 LEU 122 24.267 -16.699 -4.911 659 1HD2 LEU 122 1HD2 LEU 122 20.114 -16.729 -5.704 660 2HD2 LEU 122 2HD2 LEU 122 21.378 -17.358 -6.788 661 3HD2 LEU 122 3HD2 LEU 122 20.907 -18.281 -5.341 662 H ASP 123 H ASP 123 22.975 -13.322 -1.413 663 HA ASP 123 HA ASP 123 25.287 -13.097 -3.177 664 2HB ASP 123 2HB ASP 123 23.918 -10.952 -2.665 665 H ASP 124 H ASP 124 27.355 -12.530 -1.713 666 HA ASP 124 HA ASP 124 28.754 -13.134 -0.170 667 2HB ASP 124 2HB ASP 124 26.228 -13.330 1.528 668 H LYS 125 H LYS 125 29.531 -15.137 -0.992 669 HA LYS 125 HA LYS 125 27.933 -17.516 -0.497 670 2HB LYS 125 2HB LYS 125 28.902 -17.049 -2.751 671 2HG LYS 125 2HG LYS 125 31.498 -17.994 -2.549 672 2HD LYS 125 2HD LYS 125 30.288 -15.235 -2.802 673 2HE LYS 125 2HE LYS 125 32.757 -14.582 -3.465 674 1HZ LYS 125 1HZ LYS 125 31.886 -13.445 -1.703 675 2HZ LYS 125 2HZ LYS 125 31.628 -14.772 -0.788 676 3HZ LYS 125 3HZ LYS 125 33.143 -14.193 -0.978 677 H GLN 126 H GLN 126 29.444 -19.539 0.089 678 HA GLN 126 HA GLN 126 30.233 -19.072 2.704 679 2HB GLN 126 2HB GLN 126 31.311 -21.452 2.363 680 2HG GLN 126 2HG GLN 126 28.355 -21.246 1.690 681 1HE2 GLN 126 1HE2 GLN 126 27.233 -23.019 2.269 682 2HE2 GLN 126 2HE2 GLN 126 27.925 -24.474 2.903 683 H ARG 127 H ARG 127 32.608 -20.931 0.899 684 HA ARG 127 HA ARG 127 34.710 -20.656 0.462 685 2HB ARG 127 2HB ARG 127 35.115 -17.779 0.812 686 2HG ARG 127 2HG ARG 127 36.286 -19.423 -0.786 687 2HD ARG 127 2HD ARG 127 33.623 -19.041 -2.225 688 HE ARG 127 HE ARG 127 36.104 -18.963 -3.505 689 1HH1 ARG 127 2HH2 ARG 127 33.357 -21.163 -3.511 690 2HH1 ARG 127 1HH2 ARG 127 33.623 -21.694 -5.138 691 1HH2 ARG 127 2HH1 ARG 127 36.455 -19.664 -5.651 692 2HH2 ARG 127 1HH1 ARG 127 35.398 -20.835 -6.363 693 H LYS 128 H LYS 128 36.784 -19.055 1.479 694 HA LYS 128 HA LYS 128 36.728 -19.855 4.250 695 2HB LYS 128 2HB LYS 128 39.065 -18.410 3.114 696 2HG LYS 128 2HG LYS 128 38.755 -21.098 4.530 697 2HD LYS 128 2HD LYS 128 41.068 -19.387 3.651 698 2HE LYS 128 2HE LYS 128 41.333 -21.233 6.052 699 1HZ LYS 128 1HZ LYS 128 42.979 -19.344 4.609 700 2HZ LYS 128 2HZ LYS 128 43.200 -19.436 6.224 701 3HZ LYS 128 3HZ LYS 128 43.388 -20.767 5.297 702 H TYR 129 H TYR 129 35.150 -18.444 5.162 703 HA TYR 129 HA TYR 129 34.397 -16.580 6.100 704 2HB TYR 129 2HB TYR 129 36.687 -14.969 6.429 705 HD1 TYR 129 1HD TYR 129 36.012 -14.336 8.575 706 HD2 TYR 129 2HD TYR 129 36.440 -18.496 7.671 707 HE1 TYR 129 1HE TYR 129 35.600 -14.917 11.015 708 HE2 TYR 129 2HE TYR 129 36.026 -19.063 10.114 709 HH TYR 129 HH TYR 129 34.911 -16.683 12.351 710 H ASP 130 H ASP 130 34.548 -13.984 6.006 711 HA ASP 130 HA ASP 130 35.476 -12.820 3.685 712 2HB ASP 130 2HB ASP 130 32.533 -13.625 3.649 713 H LEU 131 H LEU 131 35.052 -10.495 3.784 714 HA LEU 131 HA LEU 131 33.084 -9.530 5.644 715 2HB LEU 131 2HB LEU 131 36.027 -9.406 6.236 716 HG LEU 131 HG LEU 131 34.018 -7.339 6.846 717 1HD1 LEU 131 1HD1 LEU 131 34.376 -7.066 9.124 718 2HD1 LEU 131 2HD1 LEU 131 34.188 -8.828 8.957 719 3HD1 LEU 131 3HD1 LEU 131 35.812 -8.119 9.133 720 1HD2 LEU 131 1HD2 LEU 131 36.811 -7.563 6.190 721 2HD2 LEU 131 2HD2 LEU 131 35.751 -6.134 6.167 722 3HD2 LEU 131 3HD2 LEU 131 36.608 -6.583 7.661 723 H HIS 132 H HIS 132 32.287 -7.601 4.927 724 HA HIS 132 HA HIS 132 33.671 -6.467 2.633 725 2HB HIS 132 2HB HIS 132 31.332 -7.107 2.337 726 HD1 HIS 132 1HD HIS 132 28.754 -6.093 2.673 727 HD2 HIS 132 2HD HIS 132 31.502 -5.557 5.797 728 HE1 HIS 132 1HE HIS 132 27.375 -5.584 4.758 729 HE2 HIS 132 2HE HIS 132 29.115 -5.318 6.655 730 H TYR 133 H TYR 133 33.319 -3.916 2.494 731 HA TYR 133 HA TYR 133 34.935 -2.769 4.395 732 2HB TYR 133 2HB TYR 133 32.651 -1.660 2.646 733 HD1 TYR 133 1HD TYR 133 36.136 -0.479 3.265 734 HD2 TYR 133 2HD TYR 133 31.959 0.357 3.663 735 HE1 TYR 133 1HE TYR 133 36.674 1.893 4.005 736 HE2 TYR 133 2HE TYR 133 32.512 2.726 4.401 737 HH TYR 133 HH TYR 133 35.384 4.148 3.893 Start of MODEL 13 1 1H GLY 15 H GLY 15 -28.450 -56.565 30.651 2 1HA GLY 15 1HA GLY 15 -29.554 -54.388 30.280 3 2HA GLY 15 2HA GLY 15 -29.472 -54.144 32.014 4 H SER 16 H SER 16 -28.093 -53.067 29.285 5 HA SER 16 HA SER 16 -25.886 -52.024 30.558 6 2HB SER 16 2HB SER 16 -24.992 -54.347 30.426 7 HG SER 16 HG SER 16 -24.303 -54.942 28.134 8 H GLY 17 H GLY 17 -24.637 -50.594 29.075 9 1HA GLY 17 1HA GLY 17 -24.799 -50.405 26.373 10 2HA GLY 17 2HA GLY 17 -26.290 -49.657 26.911 11 H MET 18 H MET 18 -24.807 -47.900 25.640 12 HA MET 18 HA MET 18 -23.826 -46.234 27.773 13 2HB MET 18 2HB MET 18 -21.820 -45.691 26.075 14 2HG MET 18 2HG MET 18 -21.906 -47.023 28.435 15 1HE MET 18 1HE MET 18 -19.056 -49.410 27.170 16 2HE MET 18 2HE MET 18 -19.907 -50.099 25.766 17 3HE MET 18 3HE MET 18 -19.640 -48.343 25.871 18 H LYS 19 H LYS 19 -23.185 -43.952 26.751 19 HA LYS 19 HA LYS 19 -25.025 -43.423 24.526 20 2HB LYS 19 2HB LYS 19 -25.498 -41.219 25.706 21 2HG LYS 19 2HG LYS 19 -27.032 -42.431 27.448 22 2HD LYS 19 2HD LYS 19 -27.415 -43.605 24.698 23 2HE LYS 19 2HE LYS 19 -29.035 -42.893 26.986 24 1HZ LYS 19 1HZ LYS 19 -30.743 -41.754 25.594 25 2HZ LYS 19 2HZ LYS 19 -29.466 -40.829 26.022 26 3HZ LYS 19 3HZ LYS 19 -29.570 -41.428 24.506 27 H GLU 20 H GLU 20 -22.654 -41.540 26.532 28 HA GLU 20 HA GLU 20 -20.960 -40.302 25.974 29 2HB GLU 20 2HB GLU 20 -19.838 -41.331 23.624 30 2HG GLU 20 2HG GLU 20 -19.429 -41.517 26.536 31 H THR 21 H THR 21 -21.757 -38.285 25.427 32 HA THR 21 HA THR 21 -22.029 -37.761 22.568 33 HB THR 21 HB THR 21 -24.324 -38.304 23.469 34 HG1 THR 21 1HG THR 21 -23.709 -35.472 22.990 35 1HG2 THR 21 1HG2 THR 21 -24.802 -35.818 24.835 36 2HG2 THR 21 2HG2 THR 21 -24.985 -37.463 25.487 37 3HG2 THR 21 3HG2 THR 21 -23.433 -36.609 25.651 38 H ALA 22 H ALA 22 -21.235 -35.805 21.935 39 HA ALA 22 HA ALA 22 -20.465 -33.988 24.111 40 1HB ALA 22 1HB ALA 22 -18.590 -33.749 21.993 41 2HB ALA 22 2HB ALA 22 -18.309 -34.394 23.627 42 3HB ALA 22 3HB ALA 22 -18.776 -35.491 22.306 43 H ALA 23 H ALA 23 -19.774 -31.756 22.989 44 HA ALA 23 HA ALA 23 -21.998 -31.128 21.192 45 1HB ALA 23 1HB ALA 23 -20.362 -28.992 22.484 46 2HB ALA 23 2HB ALA 23 -22.122 -29.097 22.244 47 3HB ALA 23 3HB ALA 23 -21.348 -30.007 23.565 48 H ALA 24 H ALA 24 -21.274 -28.979 19.818 49 HA ALA 24 HA ALA 24 -18.583 -29.103 18.875 50 1HB ALA 24 1HB ALA 24 -20.844 -30.341 17.282 51 2HB ALA 24 2HB ALA 24 -19.396 -29.677 16.488 52 3HB ALA 24 3HB ALA 24 -19.239 -31.018 17.649 53 H LYS 25 H LYS 25 -20.953 -28.384 16.445 54 HA LYS 25 HA LYS 25 -21.325 -26.432 15.424 55 2HB LYS 25 2HB LYS 25 -23.143 -26.743 17.152 56 2HG LYS 25 2HG LYS 25 -22.815 -24.482 18.729 57 2HD LYS 25 2HD LYS 25 -22.351 -27.439 19.231 58 2HE LYS 25 2HE LYS 25 -20.895 -26.181 20.834 59 1HZ LYS 25 1HZ LYS 25 -23.298 -25.013 21.978 60 2HZ LYS 25 2HZ LYS 25 -21.744 -24.537 22.132 61 3HZ LYS 25 3HZ LYS 25 -22.557 -24.234 20.749 62 H PHE 26 H PHE 26 -21.340 -23.726 16.437 63 HA PHE 26 HA PHE 26 -18.943 -23.077 17.710 64 2HB PHE 26 2HB PHE 26 -18.172 -22.011 15.283 65 HD1 PHE 26 1HD PHE 26 -17.667 -25.250 14.278 66 HD2 PHE 26 2HD PHE 26 -16.569 -22.621 17.423 67 HE1 PHE 26 1HE PHE 26 -15.618 -26.630 14.716 68 HE2 PHE 26 2HE PHE 26 -14.518 -24.001 17.861 69 HZ PHE 26 HZ PHE 26 -14.067 -25.989 16.502 70 H GLU 27 H GLU 27 -18.332 -20.596 16.860 71 HA GLU 27 HA GLU 27 -20.847 -19.253 16.349 72 2HB GLU 27 2HB GLU 27 -19.247 -17.839 18.373 73 2HG GLU 27 2HG GLU 27 -22.094 -18.910 18.551 74 H ARG 28 H ARG 28 -20.549 -16.996 15.575 75 HA ARG 28 HA ARG 28 -17.874 -16.690 14.468 76 2HB ARG 28 2HB ARG 28 -19.244 -15.162 12.771 77 2HG ARG 28 2HG ARG 28 -20.098 -17.688 11.870 78 2HD ARG 28 2HD ARG 28 -17.758 -17.663 10.730 79 HE ARG 28 HE ARG 28 -19.925 -15.710 10.401 80 1HH1 ARG 28 2HH2 ARG 28 -16.836 -16.844 9.153 81 2HH1 ARG 28 1HH2 ARG 28 -17.091 -16.191 7.569 82 1HH2 ARG 28 2HH1 ARG 28 -20.262 -14.849 8.311 83 2HH2 ARG 28 1HH1 ARG 28 -19.053 -15.049 7.087 84 H GLN 29 H GLN 29 -16.978 -14.497 14.402 85 HA GLN 29 HA GLN 29 -18.409 -12.674 16.174 86 2HB GLN 29 2HB GLN 29 -15.402 -13.138 15.956 87 2HG GLN 29 2HG GLN 29 -16.564 -11.463 18.137 88 1HE2 GLN 29 1HE2 GLN 29 -15.068 -9.214 16.864 89 2HE2 GLN 29 2HE2 GLN 29 -13.389 -9.536 17.135 90 H HIS 30 H HIS 30 -15.850 -12.888 13.601 91 HA HIS 30 HA HIS 30 -15.409 -11.618 11.867 92 2HB HIS 30 2HB HIS 30 -18.008 -10.149 11.971 93 HD1 HIS 30 1HD HIS 30 -18.997 -11.465 9.307 94 HD2 HIS 30 2HD HIS 30 -15.102 -10.064 9.988 95 HE1 HIS 30 1HE HIS 30 -17.998 -10.982 7.008 96 H MET 31 H MET 31 -16.103 -8.885 11.248 97 HA MET 31 HA MET 31 -15.645 -7.337 13.580 98 2HB MET 31 2HB MET 31 -13.457 -6.503 11.991 99 2HG MET 31 2HG MET 31 -12.121 -7.869 13.813 100 1HE MET 31 1HE MET 31 -11.136 -6.624 15.655 101 2HE MET 31 2HE MET 31 -11.836 -5.228 16.509 102 3HE MET 31 3HE MET 31 -12.542 -6.848 16.722 103 H ASP 32 H ASP 32 -15.039 -4.914 12.760 104 HA ASP 32 HA ASP 32 -15.819 -4.270 10.163 105 2HB ASP 32 2HB ASP 32 -17.865 -2.923 11.667 106 H SER 33 H SER 33 -15.900 -1.794 9.934 107 HA SER 33 HA SER 33 -14.828 -0.472 12.291 108 2HB SER 33 2HB SER 33 -13.392 0.838 10.460 109 HG SER 33 HG SER 33 -11.653 -0.478 10.989 110 HA PRO 34 HA PRO 34 -17.632 2.632 11.092 111 2HB PRO 34 2HB PRO 34 -17.535 3.639 13.160 112 2HG PRO 34 2HG PRO 34 -15.615 3.195 14.359 113 2HD PRO 34 2HD PRO 34 -14.987 1.202 13.400 114 H ASP 35 H ASP 35 -17.324 5.354 10.590 115 HA ASP 35 HA ASP 35 -15.610 5.187 8.236 116 2HB ASP 35 2HB ASP 35 -17.230 6.486 6.978 117 H LEU 36 H LEU 36 -14.265 7.032 7.923 118 HA LEU 36 HA LEU 36 -14.300 8.953 10.102 119 2HB LEU 36 2HB LEU 36 -12.180 9.505 8.364 120 HG LEU 36 HG LEU 36 -12.210 9.326 10.940 121 1HD1 LEU 36 1HD1 LEU 36 -11.253 7.149 11.769 122 2HD1 LEU 36 2HD1 LEU 36 -12.958 7.093 11.259 123 3HD1 LEU 36 3HD1 LEU 36 -11.690 6.441 10.195 124 1HD2 LEU 36 1HD2 LEU 36 -9.927 8.476 9.164 125 2HD2 LEU 36 2HD2 LEU 36 -10.228 10.052 9.935 126 3HD2 LEU 36 3HD2 LEU 36 -9.732 8.658 10.924 127 H GLY 37 H GLY 37 -13.763 9.197 6.514 128 1HA GLY 37 1HA GLY 37 -14.459 10.725 5.023 129 2HA GLY 37 2HA GLY 37 -15.923 10.866 5.975 130 H THR 38 H THR 38 -16.215 13.106 5.917 131 HA THR 38 HA THR 38 -15.894 15.247 6.423 132 HB THR 38 HB THR 38 -14.191 13.873 8.555 133 HG1 THR 38 1HG THR 38 -16.664 13.802 8.277 134 1HG2 THR 38 1HG2 THR 38 -14.946 16.308 9.617 135 2HG2 THR 38 2HG2 THR 38 -13.321 15.976 8.972 136 3HG2 THR 38 3HG2 THR 38 -14.537 16.780 7.950 137 H THR 39 H THR 39 -15.004 15.627 4.311 138 HA THR 39 HA THR 39 -13.480 16.474 2.931 139 HB THR 39 HB THR 39 -12.275 17.189 5.643 140 HG1 THR 39 1HG THR 39 -13.688 18.424 3.392 141 1HG2 THR 39 1HG2 THR 39 -11.388 18.106 2.855 142 2HG2 THR 39 2HG2 THR 39 -10.864 18.836 4.392 143 3HG2 THR 39 3HG2 THR 39 -10.396 17.165 3.995 144 H LEU 40 H LEU 40 -12.603 15.016 1.603 145 HA LEU 40 HA LEU 40 -11.419 12.693 2.234 146 2HB LEU 40 2HB LEU 40 -12.028 13.389 -0.012 147 HG LEU 40 HG LEU 40 -10.055 15.491 0.373 148 1HD1 LEU 40 1HD1 LEU 40 -9.240 15.220 -2.092 149 2HD1 LEU 40 2HD1 LEU 40 -8.412 14.350 -0.778 150 3HD1 LEU 40 3HD1 LEU 40 -9.577 13.494 -1.817 151 1HD2 LEU 40 1HD2 LEU 40 -11.399 16.646 -1.043 152 2HD2 LEU 40 2HD2 LEU 40 -11.657 15.254 -2.121 153 3HD2 LEU 40 3HD2 LEU 40 -12.549 15.366 -0.584 154 H LEU 41 H LEU 41 -9.289 11.898 2.605 155 HA LEU 41 HA LEU 41 -7.354 13.975 3.338 156 2HB LEU 41 2HB LEU 41 -6.818 12.922 5.358 157 HG LEU 41 HG LEU 41 -9.791 13.066 4.971 158 1HD1 LEU 41 1HD1 LEU 41 -10.301 12.309 7.134 159 2HD1 LEU 41 2HD1 LEU 41 -9.193 11.083 6.469 160 3HD1 LEU 41 3HD1 LEU 41 -8.591 12.291 7.630 161 1HD2 LEU 41 1HD2 LEU 41 -9.117 14.608 7.129 162 2HD2 LEU 41 2HD2 LEU 41 -7.653 14.721 6.122 163 3HD2 LEU 41 3HD2 LEU 41 -9.235 15.181 5.447 164 H GLU 42 H GLU 42 -8.069 11.776 1.106 165 HA GLU 42 HA GLU 42 -5.371 10.665 1.104 166 2HB GLU 42 2HB GLU 42 -7.237 8.987 1.254 167 2HG GLU 42 2HG GLU 42 -7.996 9.059 -1.539 168 H GLN 43 H GLN 43 -6.676 13.323 0.065 169 HA GLN 43 HA GLN 43 -6.573 14.625 -1.674 170 2HB GLN 43 2HB GLN 43 -4.492 14.391 -3.133 171 2HG GLN 43 2HG GLN 43 -2.906 14.801 -1.266 172 1HE2 GLN 43 1HE2 GLN 43 -5.809 15.299 0.531 173 2HE2 GLN 43 2HE2 GLN 43 -6.066 16.971 0.165 174 H TYR 44 H TYR 44 -6.261 14.629 -4.312 175 HA TYR 44 HA TYR 44 -8.204 12.660 -5.201 176 2HB TYR 44 2HB TYR 44 -7.634 14.321 -7.325 177 HD1 TYR 44 1HD TYR 44 -9.899 14.453 -7.882 178 HD2 TYR 44 2HD TYR 44 -8.632 15.758 -4.010 179 HE1 TYR 44 1HE TYR 44 -12.241 15.320 -7.400 180 HE2 TYR 44 2HE TYR 44 -10.977 16.620 -3.541 181 HH TYR 44 HH TYR 44 -13.082 16.558 -4.213 182 H CYS 45 H CYS 45 -6.498 10.888 -4.956 183 HA CYS 45 HA CYS 45 -4.201 10.825 -6.456 184 2HB CYS 45 2HB CYS 45 -5.298 8.206 -6.429 185 H HIS 46 H HIS 46 -7.560 9.690 -7.262 186 HA HIS 46 HA HIS 46 -6.939 8.843 -9.840 187 2HB HIS 46 2HB HIS 46 -8.990 8.338 -8.403 188 HD1 HIS 46 1HD HIS 46 -9.779 10.359 -6.833 189 HD2 HIS 46 2HD HIS 46 -10.917 10.636 -10.861 190 HE1 HIS 46 1HE HIS 46 -11.615 12.128 -6.938 191 H ARG 47 H ARG 47 -9.039 10.300 -11.339 192 HA ARG 47 HA ARG 47 -7.583 12.804 -11.641 193 2HB ARG 47 2HB ARG 47 -7.158 11.881 -13.717 194 2HG ARG 47 2HG ARG 47 -8.919 10.257 -14.784 195 2HD ARG 47 2HD ARG 47 -8.141 8.516 -12.776 196 HE ARG 47 HE ARG 47 -7.221 9.154 -15.378 197 1HH1 ARG 47 2HH2 ARG 47 -5.900 7.860 -12.384 198 2HH1 ARG 47 1HH2 ARG 47 -4.672 6.931 -13.178 199 1HH2 ARG 47 2HH1 ARG 47 -5.602 7.928 -16.425 200 2HH2 ARG 47 1HH1 ARG 47 -4.501 6.970 -15.492 201 H THR 48 H THR 48 -10.520 11.919 -13.461 202 HA THR 48 HA THR 48 -12.545 12.745 -11.861 203 HB THR 48 HB THR 48 -11.625 14.893 -11.403 204 HG1 THR 48 1HG THR 48 -13.377 15.923 -12.303 205 1HG2 THR 48 1HG2 THR 48 -11.182 15.811 -14.179 206 2HG2 THR 48 2HG2 THR 48 -10.134 15.997 -12.753 207 3HG2 THR 48 3HG2 THR 48 -10.074 14.499 -13.712 208 H THR 49 H THR 49 -14.265 11.962 -12.890 209 HA THR 49 HA THR 49 -14.948 12.734 -15.503 210 HB THR 49 HB THR 49 -12.885 10.992 -15.664 211 HG1 THR 49 1HG THR 49 -15.429 10.852 -17.126 212 1HG2 THR 49 1HG2 THR 49 -14.557 9.288 -14.396 213 2HG2 THR 49 2HG2 THR 49 -15.214 9.108 -16.040 214 3HG2 THR 49 3HG2 THR 49 -13.503 8.733 -15.720 215 H ILE 50 H ILE 50 -16.060 12.578 -12.810 216 HA ILE 50 HA ILE 50 -18.518 11.329 -13.548 217 HB ILE 50 HB ILE 50 -17.178 9.403 -12.753 218 2HG1 ILE 50 2HG1 ILE 50 -19.686 9.560 -12.601 219 1HG2 ILE 50 1HG2 ILE 50 -16.446 9.174 -10.528 220 2HG2 ILE 50 2HG2 ILE 50 -15.901 10.789 -11.041 221 3HG2 ILE 50 3HG2 ILE 50 -17.332 10.623 -9.996 222 1HD1 ILE 50 1HD1 ILE 50 -17.919 7.851 -10.885 223 2HD1 ILE 50 2HD1 ILE 50 -19.666 7.803 -10.541 224 3HD1 ILE 50 3HD1 ILE 50 -19.065 7.378 -12.162 225 H GLY 51 H GLY 51 -20.271 12.008 -12.158 226 1HA GLY 51 1HA GLY 51 -20.639 13.136 -9.925 227 2HA GLY 51 2HA GLY 51 -19.517 14.346 -10.517 228 H ASN 52 H ASN 52 -20.110 15.042 -12.986 229 HA ASN 52 HA ASN 52 -22.955 15.658 -12.861 230 2HB ASN 52 2HB ASN 52 -21.373 17.622 -12.706 231 1HD2 ASN 52 1HD2 ASN 52 -21.637 17.570 -16.138 232 2HD2 ASN 52 2HD2 ASN 52 -19.952 17.531 -16.539 233 H PHE 53 H PHE 53 -20.440 13.955 -14.498 234 HA PHE 53 HA PHE 53 -22.208 13.064 -16.522 235 2HB PHE 53 2HB PHE 53 -21.175 15.446 -17.185 236 HD1 PHE 53 1HD PHE 53 -19.001 15.830 -15.954 237 HD2 PHE 53 2HD PHE 53 -19.271 13.326 -19.369 238 HE1 PHE 53 1HE PHE 53 -16.518 16.002 -16.276 239 HE2 PHE 53 2HE PHE 53 -16.788 13.497 -19.692 240 HZ PHE 53 HZ PHE 53 -15.441 14.834 -18.142 241 H SER 54 H SER 54 -21.185 11.361 -17.892 242 HA SER 54 HA SER 54 -19.923 9.621 -18.188 243 2HB SER 54 2HB SER 54 -17.432 9.950 -17.051 244 HG SER 54 HG SER 54 -18.617 10.549 -19.529 245 H GLY 55 H GLY 55 -20.174 7.686 -17.121 246 1HA GLY 55 1HA GLY 55 -19.675 7.650 -14.211 247 2HA GLY 55 2HA GLY 55 -21.164 7.016 -14.883 248 HA PRO 56 HA PRO 56 -17.767 4.160 -16.510 249 2HB PRO 56 2HB PRO 56 -15.975 5.170 -17.547 250 2HG PRO 56 2HG PRO 56 -15.605 7.357 -16.914 251 2HD PRO 56 2HD PRO 56 -17.710 7.937 -16.196 252 H TYR 57 H TYR 57 -15.961 2.539 -15.645 253 HA TYR 57 HA TYR 57 -15.488 2.501 -12.917 254 2HB TYR 57 2HB TYR 57 -17.770 0.639 -13.752 255 HD1 TYR 57 1HD TYR 57 -19.549 0.824 -11.565 256 HD2 TYR 57 2HD TYR 57 -15.283 1.146 -11.498 257 HE1 TYR 57 1HE TYR 57 -19.524 0.091 -9.131 258 HE2 TYR 57 2HE TYR 57 -15.273 0.411 -9.064 259 HH TYR 57 HH TYR 57 -18.312 -0.427 -7.422 260 H THR 58 H THR 58 -16.262 -0.493 -12.787 261 HA THR 58 HA THR 58 -15.163 -2.405 -13.102 262 HB THR 58 HB THR 58 -15.169 -1.269 -15.944 263 HG1 THR 58 1HG THR 58 -17.112 -2.588 -15.946 264 1HG2 THR 58 1HG2 THR 58 -13.651 -3.112 -16.114 265 2HG2 THR 58 2HG2 THR 58 -14.495 -4.029 -14.843 266 3HG2 THR 58 3HG2 THR 58 -15.237 -3.846 -16.450 267 H TYR 59 H TYR 59 -13.613 0.199 -12.509 268 HA TYR 59 HA TYR 59 -10.988 -0.879 -13.294 269 2HB TYR 59 2HB TYR 59 -10.790 1.851 -12.512 270 HD1 TYR 59 1HD TYR 59 -9.424 3.046 -14.006 271 HD2 TYR 59 2HD TYR 59 -11.722 -0.261 -15.453 272 HE1 TYR 59 1HE TYR 59 -8.231 3.187 -16.247 273 HE2 TYR 59 2HE TYR 59 -10.520 -0.109 -17.688 274 HH TYR 59 HH TYR 59 -8.203 2.492 -18.315 275 H CYS 60 H CYS 60 -9.201 -0.260 -11.712 276 HA CYS 60 HA CYS 60 -9.979 -1.120 -9.149 277 2HB CYS 60 2HB CYS 60 -7.684 -0.955 -8.562 278 H ASN 61 H ASN 61 -10.370 0.090 -7.265 279 HA ASN 61 HA ASN 61 -10.849 2.870 -7.717 280 2HB ASN 61 2HB ASN 61 -11.273 1.009 -5.327 281 1HD2 ASN 61 1HD2 ASN 61 -12.895 3.932 -6.456 282 2HD2 ASN 61 2HD2 ASN 61 -12.696 4.881 -5.019 283 H THR 62 H THR 62 -9.895 4.575 -6.289 284 HA THR 62 HA THR 62 -7.126 4.099 -5.772 285 HB THR 62 HB THR 62 -7.916 6.245 -6.677 286 HG1 THR 62 1HG THR 62 -7.142 7.542 -4.677 287 1HG2 THR 62 1HG2 THR 62 -10.135 6.579 -5.835 288 2HG2 THR 62 2HG2 THR 62 -9.638 6.227 -4.162 289 3HG2 THR 62 3HG2 THR 62 -9.155 7.759 -4.930 290 H THR 63 H THR 63 -6.088 3.565 -3.940 291 HA THR 63 HA THR 63 -7.148 4.137 -1.378 292 HB THR 63 HB THR 63 -8.532 2.092 -2.397 293 HG1 THR 63 1HG THR 63 -7.096 2.077 0.167 294 1HG2 THR 63 1HG2 THR 63 -6.433 0.742 -2.933 295 2HG2 THR 63 2HG2 THR 63 -6.075 0.720 -1.189 296 3HG2 THR 63 3HG2 THR 63 -7.544 -0.075 -1.808 297 H LEU 64 H LEU 64 -5.703 3.449 0.359 298 HA LEU 64 HA LEU 64 -3.046 2.792 -0.711 299 2HB LEU 64 2HB LEU 64 -2.992 5.071 -0.124 300 HG LEU 64 HG LEU 64 -3.410 5.862 2.216 301 1HD1 LEU 64 1HD1 LEU 64 -5.236 5.504 0.067 302 2HD1 LEU 64 2HD1 LEU 64 -6.129 5.255 1.586 303 3HD1 LEU 64 3HD1 LEU 64 -5.225 6.765 1.323 304 1HD2 LEU 64 1HD2 LEU 64 -4.565 4.636 3.802 305 2HD2 LEU 64 2HD2 LEU 64 -5.229 3.502 2.602 306 3HD2 LEU 64 3HD2 LEU 64 -3.513 3.404 3.065 307 H ASP 65 H ASP 65 -1.607 1.673 0.882 308 HA ASP 65 HA ASP 65 -3.182 0.213 2.842 309 2HB ASP 65 2HB ASP 65 -0.946 -1.213 1.427 310 H GLN 66 H GLN 66 -0.746 -1.484 3.443 311 HA GLN 66 HA GLN 66 0.362 -0.102 5.442 312 2HB GLN 66 2HB GLN 66 2.404 -1.782 4.204 313 2HG GLN 66 2HG GLN 66 1.965 -1.352 6.685 314 1HE2 GLN 66 1HE2 GLN 66 0.205 -0.748 7.721 315 2HE2 GLN 66 2HE2 GLN 66 -1.225 -1.693 7.970 316 H ILE 67 H ILE 67 0.991 0.276 1.999 317 HA ILE 67 HA ILE 67 3.324 1.942 2.588 318 HB ILE 67 HB ILE 67 3.507 1.869 0.031 319 2HG1 ILE 67 2HG1 ILE 67 1.180 0.990 -0.299 320 1HG2 ILE 67 1HG2 ILE 67 4.107 -0.837 0.616 321 2HG2 ILE 67 2HG2 ILE 67 5.203 0.566 0.608 322 3HG2 ILE 67 3HG2 ILE 67 4.370 0.096 2.110 323 1HD1 ILE 67 1HD1 ILE 67 3.626 -0.428 -1.400 324 2HD1 ILE 67 2HD1 ILE 67 1.988 -0.904 -1.913 325 3HD1 ILE 67 3HD1 ILE 67 2.565 0.753 -2.205 326 H GLY 68 H GLY 68 2.615 3.935 3.233 327 1HA GLY 68 1HA GLY 68 0.353 5.257 2.848 328 2HA GLY 68 2HA GLY 68 1.911 6.058 2.785 329 H THR 69 H THR 69 2.872 4.748 0.325 330 HA THR 69 HA THR 69 2.166 6.529 -1.578 331 HB THR 69 HB THR 69 4.001 4.768 -1.634 332 HG1 THR 69 1HG THR 69 2.030 4.916 -3.807 333 1HG2 THR 69 1HG2 THR 69 2.081 2.883 -1.239 334 2HG2 THR 69 2HG2 THR 69 2.053 2.935 -3.019 335 3HG2 THR 69 3HG2 THR 69 3.562 2.537 -2.164 336 H CYS 70 H CYS 70 0.082 7.208 -1.828 337 HA CYS 70 HA CYS 70 -2.086 5.437 -1.871 338 2HB CYS 70 2HB CYS 70 -1.694 8.310 -2.650 339 H TRP 71 H TRP 71 -3.129 4.406 -3.620 340 HA TRP 71 HA TRP 71 -1.691 4.593 -6.175 341 2HB TRP 71 2HB TRP 71 -2.547 2.346 -6.625 342 HD1 TRP 71 HD TRP 71 -1.781 1.968 -2.876 343 HE1 TRP 71 1HE TRP 71 0.662 1.050 -2.480 344 HE3 TRP 71 3HE TRP 71 -0.290 2.343 -7.724 345 HZ2 TRP 71 2HZ TRP 71 2.893 0.594 -4.201 346 HZ3 TRP 71 3HZ TRP 71 2.037 1.641 -8.281 347 HH2 TRP 71 HH TRP 71 3.607 0.790 -6.612 348 HA PRO 72 HA PRO 72 -5.465 6.472 -7.418 349 2HB PRO 72 2HB PRO 72 -4.375 8.208 -8.468 350 2HG PRO 72 2HG PRO 72 -2.130 7.847 -8.847 351 2HD PRO 72 2HD PRO 72 -1.685 6.293 -7.212 352 H GLN 73 H GLN 73 -7.339 5.930 -8.494 353 HA GLN 73 HA GLN 73 -7.785 3.399 -9.036 354 2HB GLN 73 2HB GLN 73 -9.548 5.090 -9.088 355 2HG GLN 73 2HG GLN 73 -8.059 6.733 -10.474 356 1HE2 GLN 73 1HE2 GLN 73 -10.531 5.107 -12.448 357 2HE2 GLN 73 2HE2 GLN 73 -9.609 4.992 -13.909 358 H SER 74 H SER 74 -7.966 2.045 -11.009 359 HA SER 74 HA SER 74 -6.545 2.953 -13.309 360 2HB SER 74 2HB SER 74 -4.528 2.109 -12.732 361 HG SER 74 HG SER 74 -4.679 0.370 -10.801 362 H ALA 75 H ALA 75 -6.149 0.488 -14.607 363 HA ALA 75 HA ALA 75 -8.915 -0.398 -14.856 364 1HB ALA 75 1HB ALA 75 -8.390 -0.902 -17.050 365 2HB ALA 75 2HB ALA 75 -7.215 0.400 -16.750 366 3HB ALA 75 3HB ALA 75 -6.698 -1.302 -16.668 367 HA PRO 76 HA PRO 76 -8.101 -4.318 -13.217 368 2HB PRO 76 2HB PRO 76 -10.261 -5.042 -13.550 369 2HG PRO 76 2HG PRO 76 -11.379 -3.982 -15.266 370 2HD PRO 76 2HD PRO 76 -10.210 -2.004 -15.354 371 H GLY 77 H GLY 77 -6.851 -6.225 -13.181 372 1HA GLY 77 1HA GLY 77 -4.980 -7.322 -13.800 373 2HA GLY 77 2HA GLY 77 -5.801 -7.510 -15.336 374 H ALA 78 H ALA 78 -4.465 -4.559 -13.691 375 HA ALA 78 HA ALA 78 -2.997 -4.011 -16.164 376 1HB ALA 78 1HB ALA 78 -3.319 -1.782 -15.718 377 2HB ALA 78 2HB ALA 78 -4.715 -2.425 -14.822 378 3HB ALA 78 3HB ALA 78 -3.218 -2.008 -13.955 379 H LEU 79 H LEU 79 -2.622 -5.372 -13.067 380 HA LEU 79 HA LEU 79 -0.895 -5.571 -11.652 381 2HB LEU 79 2HB LEU 79 1.036 -5.990 -13.812 382 HG LEU 79 HG LEU 79 0.643 -7.126 -11.354 383 1HD1 LEU 79 1HD1 LEU 79 -1.006 -8.609 -13.273 384 2HD1 LEU 79 2HD1 LEU 79 0.166 -9.622 -12.399 385 3HD1 LEU 79 3HD1 LEU 79 -1.004 -8.632 -11.494 386 1HD2 LEU 79 1HD2 LEU 79 2.205 -7.854 -13.787 387 2HD2 LEU 79 2HD2 LEU 79 2.756 -7.366 -12.166 388 3HD2 LEU 79 3HD2 LEU 79 2.157 -9.020 -12.442 389 H VAL 80 H VAL 80 -0.684 -3.509 -10.709 390 HA VAL 80 HA VAL 80 0.839 -1.491 -12.049 391 HB VAL 80 HB VAL 80 -0.433 -1.791 -9.336 392 1HG1 VAL 80 1HG1 VAL 80 1.585 0.213 -10.244 393 2HG1 VAL 80 2HG1 VAL 80 0.192 0.809 -9.309 394 3HG1 VAL 80 3HG1 VAL 80 1.262 -0.435 -8.618 395 1HG2 VAL 80 1HG2 VAL 80 -1.711 0.242 -10.227 396 2HG2 VAL 80 2HG2 VAL 80 -0.995 -0.144 -11.810 397 3HG2 VAL 80 3HG2 VAL 80 -2.047 -1.327 -10.997 398 H GLU 81 H GLU 81 2.606 -3.332 -12.338 399 HA GLU 81 HA GLU 81 4.168 -3.777 -10.009 400 2HB GLU 81 2HB GLU 81 4.249 -5.552 -11.561 401 2HG GLU 81 2HG GLU 81 4.407 -3.336 -13.603 402 H ARG 82 H ARG 82 5.662 -2.393 -9.163 403 HA ARG 82 HA ARG 82 6.820 -0.484 -11.031 404 2HB ARG 82 2HB ARG 82 6.551 0.187 -8.095 405 2HG ARG 82 2HG ARG 82 6.997 1.582 -10.679 406 2HD ARG 82 2HD ARG 82 5.898 3.687 -9.892 407 HE ARG 82 HE ARG 82 3.623 1.842 -9.962 408 1HH1 ARG 82 2HH2 ARG 82 6.164 3.356 -11.868 409 2HH1 ARG 82 1HH2 ARG 82 5.323 3.170 -13.371 410 1HH2 ARG 82 2HH1 ARG 82 2.514 1.596 -11.946 411 2HH2 ARG 82 1HH1 ARG 82 3.234 2.162 -13.416 412 HA PRO 83 HA PRO 83 10.112 -2.880 -8.995 413 2HB PRO 83 2HB PRO 83 10.255 -4.627 -10.487 414 2HG PRO 83 2HG PRO 83 9.033 -4.343 -12.424 415 2HD PRO 83 2HD PRO 83 7.444 -2.854 -11.688 416 H CYS 84 H CYS 84 11.154 -1.306 -7.896 417 HA CYS 84 HA CYS 84 12.532 0.371 -7.567 418 2HB CYS 84 2HB CYS 84 14.546 -0.359 -8.089 419 HA PRO 85 HA PRO 85 11.518 3.749 -10.134 420 2HB PRO 85 2HB PRO 85 12.493 5.302 -8.742 421 2HG PRO 85 2HG PRO 85 14.228 4.490 -7.458 422 2HD PRO 85 2HD PRO 85 13.688 2.256 -7.409 423 H GLU 86 H GLU 86 14.948 3.571 -10.956 424 HA GLU 86 HA GLU 86 14.049 3.470 -13.725 425 2HB GLU 86 2HB GLU 86 16.678 4.114 -13.947 426 2HG GLU 86 2HG GLU 86 15.558 6.602 -13.373 427 H TYR 87 H TYR 87 16.315 2.528 -15.017 428 HA TYR 87 HA TYR 87 16.484 -0.193 -13.930 429 2HB TYR 87 2HB TYR 87 17.528 0.153 -16.617 430 HD1 TYR 87 1HD TYR 87 17.265 -2.004 -17.415 431 HD2 TYR 87 2HD TYR 87 14.037 -0.202 -15.260 432 HE1 TYR 87 1HE TYR 87 15.845 -4.079 -17.791 433 HE2 TYR 87 2HE TYR 87 12.629 -2.283 -15.643 434 HH TYR 87 HH TYR 87 12.497 -4.211 -16.609 435 H PHE 88 H PHE 88 18.198 0.330 -12.399 436 HA PHE 88 HA PHE 88 20.757 0.776 -13.769 437 2HB PHE 88 2HB PHE 88 20.248 2.695 -12.355 438 HD1 PHE 88 1HD PHE 88 20.639 0.474 -9.470 439 HD2 PHE 88 2HD PHE 88 17.933 2.896 -11.667 440 HE1 PHE 88 1HE PHE 88 19.008 0.382 -7.565 441 HE2 PHE 88 2HE PHE 88 16.303 2.803 -9.762 442 HZ PHE 88 HZ PHE 88 16.859 1.547 -7.733 443 H ASN 89 H ASN 89 19.096 -0.726 -10.918 444 HA ASN 89 HA ASN 89 19.386 -2.669 -9.975 445 2HB ASN 89 2HB ASN 89 21.705 -3.805 -11.322 446 1HD2 ASN 89 1HD2 ASN 89 18.201 -3.502 -11.912 447 2HD2 ASN 89 2HD2 ASN 89 17.782 -5.153 -11.598 448 H GLY 90 H GLY 90 20.238 -1.433 -8.119 449 1HA GLY 90 1HA GLY 90 22.589 -2.262 -7.019 450 2HA GLY 90 2HA GLY 90 23.043 -0.839 -7.933 451 H ILE 91 H ILE 91 22.243 1.254 -7.333 452 HA ILE 91 HA ILE 91 20.349 1.510 -5.224 453 HB ILE 91 HB ILE 91 22.054 2.720 -3.735 454 2HG1 ILE 91 2HG1 ILE 91 23.818 1.578 -5.755 455 1HG2 ILE 91 1HG2 ILE 91 20.849 0.357 -3.530 456 2HG2 ILE 91 2HG2 ILE 91 22.530 -0.222 -3.641 457 3HG2 ILE 91 3HG2 ILE 91 22.062 0.913 -2.352 458 1HD1 ILE 91 1HD1 ILE 91 24.196 3.440 -3.365 459 2HD1 ILE 91 2HD1 ILE 91 25.427 3.125 -4.612 460 3HD1 ILE 91 3HD1 ILE 91 23.902 3.931 -5.051 461 H LYS 92 H LYS 92 20.645 2.347 -7.982 462 HA LYS 92 HA LYS 92 21.240 5.195 -7.687 463 2HB LYS 92 2HB LYS 92 20.573 4.174 -10.364 464 2HG LYS 92 2HG LYS 92 21.681 6.414 -9.645 465 2HD LYS 92 2HD LYS 92 23.487 4.695 -8.380 466 2HE LYS 92 2HE LYS 92 24.453 4.175 -10.670 467 1HZ LYS 92 1HZ LYS 92 24.110 6.337 -11.636 468 2HZ LYS 92 2HZ LYS 92 25.140 7.032 -10.576 469 3HZ LYS 92 3HZ LYS 92 25.700 5.962 -11.675 470 H TYR 93 H TYR 93 19.084 4.730 -6.222 471 HA TYR 93 HA TYR 93 16.775 5.163 -7.981 472 2HB TYR 93 2HB TYR 93 16.795 3.271 -6.277 473 HD1 TYR 93 1HD TYR 93 18.852 3.185 -4.883 474 HD2 TYR 93 2HD TYR 93 15.603 5.804 -3.935 475 HE1 TYR 93 1HE TYR 93 19.773 3.489 -2.533 476 HE2 TYR 93 2HE TYR 93 16.537 6.099 -1.588 477 HH TYR 93 HH TYR 93 17.945 5.203 -0.088 478 H ASN 94 H ASN 94 15.305 6.904 -7.558 479 HA ASN 94 HA ASN 94 16.563 9.009 -5.981 480 2HB ASN 94 2HB ASN 94 15.256 10.592 -7.466 481 1HD2 ASN 94 1HD2 ASN 94 16.650 7.573 -8.754 482 2HD2 ASN 94 2HD2 ASN 94 17.970 8.291 -9.616 483 H THR 95 H THR 95 13.280 8.245 -7.388 484 HA THR 95 HA THR 95 12.129 8.092 -4.739 485 HB THR 95 HB THR 95 10.471 9.938 -5.332 486 HG1 THR 95 1HG THR 95 11.403 11.315 -7.135 487 1HG2 THR 95 1HG2 THR 95 13.301 11.043 -5.545 488 2HG2 THR 95 2HG2 THR 95 11.891 11.763 -4.731 489 3HG2 THR 95 3HG2 THR 95 12.709 10.355 -4.013 490 H THR 96 H THR 96 9.428 8.294 -5.485 491 HA THR 96 HA THR 96 7.799 7.287 -6.683 492 HB THR 96 HB THR 96 9.820 7.296 -8.550 493 HG1 THR 96 1HG THR 96 7.337 5.728 -8.567 494 1HG2 THR 96 1HG2 THR 96 10.332 5.139 -9.324 495 2HG2 THR 96 2HG2 THR 96 10.315 4.836 -7.570 496 3HG2 THR 96 3HG2 THR 96 8.896 4.418 -8.560 497 H ARG 97 H ARG 97 10.617 5.464 -5.485 498 HA ARG 97 HA ARG 97 10.767 3.694 -4.257 499 2HB ARG 97 2HB ARG 97 7.881 3.361 -3.581 500 2HG ARG 97 2HG ARG 97 10.480 3.072 -2.344 501 2HD ARG 97 2HD ARG 97 8.841 5.300 -1.305 502 HE ARG 97 HE ARG 97 8.853 2.929 0.296 503 1HH1 ARG 97 2HH2 ARG 97 9.564 6.364 0.564 504 2HH1 ARG 97 1HH2 ARG 97 9.201 6.438 2.256 505 1HH2 ARG 97 2HH1 ARG 97 8.373 3.026 2.528 506 2HH2 ARG 97 1HH1 ARG 97 8.519 4.526 3.380 507 H ASN 98 H ASN 98 10.078 1.287 -4.070 508 HA ASN 98 HA ASN 98 9.016 0.511 -6.662 509 2HB ASN 98 2HB ASN 98 11.270 -0.357 -6.202 510 1HD2 ASN 98 1HD2 ASN 98 12.447 0.123 -4.466 511 2HD2 ASN 98 2HD2 ASN 98 12.348 -0.656 -2.922 512 H ALA 99 H ALA 99 7.515 -1.413 -6.685 513 HA ALA 99 HA ALA 99 6.533 -2.590 -4.358 514 1HB ALA 99 1HB ALA 99 4.616 -0.510 -5.451 515 2HB ALA 99 2HB ALA 99 4.496 -1.449 -3.943 516 3HB ALA 99 3HB ALA 99 5.713 -0.159 -4.093 517 H TYR 100 H TYR 100 3.934 -3.240 -5.099 518 HA TYR 100 HA TYR 100 3.813 -3.809 -7.900 519 2HB TYR 100 2HB TYR 100 4.367 -5.926 -5.732 520 HD1 TYR 100 1HD TYR 100 4.978 -6.395 -9.315 521 HD2 TYR 100 2HD TYR 100 2.315 -7.245 -6.077 522 HE1 TYR 100 1HE TYR 100 3.861 -8.209 -10.701 523 HE2 TYR 100 2HE TYR 100 1.206 -9.057 -7.475 524 HH TYR 100 HH TYR 100 0.925 -9.724 -9.659 525 H ARG 101 H ARG 101 1.730 -2.995 -7.997 526 HA ARG 101 HA ARG 101 -0.135 -4.113 -6.076 527 2HB ARG 101 2HB ARG 101 -1.491 -2.156 -7.591 528 2HG ARG 101 2HG ARG 101 -0.080 -1.110 -5.209 529 2HD ARG 101 2HD ARG 101 -2.665 -0.977 -6.454 530 HE ARG 101 HE ARG 101 -3.823 -2.410 -4.999 531 1HH1 ARG 101 2HH2 ARG 101 -1.513 -0.490 -3.166 532 2HH1 ARG 101 1HH2 ARG 101 -2.115 -1.003 -1.625 533 1HH2 ARG 101 2HH1 ARG 101 -4.619 -3.087 -2.965 534 2HH2 ARG 101 1HH1 ARG 101 -3.894 -2.490 -1.511 535 H GLU 102 H GLU 102 -0.658 -6.136 -7.023 536 HA GLU 102 HA GLU 102 -1.225 -6.245 -9.815 537 2HB GLU 102 2HB GLU 102 -0.201 -8.206 -9.012 538 2HG GLU 102 2HG GLU 102 -2.046 -7.846 -6.636 539 H CYS 103 H CYS 103 -3.189 -5.872 -10.755 540 HA CYS 103 HA CYS 103 -5.478 -5.733 -8.948 541 2HB CYS 103 2HB CYS 103 -6.145 -4.716 -11.505 542 H LEU 104 H LEU 104 -7.327 -7.022 -9.360 543 HA LEU 104 HA LEU 104 -6.841 -9.306 -11.033 544 2HB LEU 104 2HB LEU 104 -9.358 -9.635 -10.129 545 HG LEU 104 HG LEU 104 -8.425 -10.659 -8.033 546 1HD1 LEU 104 1HD1 LEU 104 -8.033 -11.427 -10.773 547 2HD1 LEU 104 2HD1 LEU 104 -6.675 -12.018 -9.785 548 3HD1 LEU 104 3HD1 LEU 104 -8.347 -12.443 -9.345 549 1HD2 LEU 104 1HD2 LEU 104 -5.748 -9.803 -9.167 550 2HD2 LEU 104 2HD2 LEU 104 -6.539 -9.093 -7.739 551 3HD2 LEU 104 3HD2 LEU 104 -6.029 -10.797 -7.719 552 H GLU 105 H GLU 105 -8.449 -10.057 -12.667 553 HA GLU 105 HA GLU 105 -8.968 -7.931 -14.442 554 2HB GLU 105 2HB GLU 105 -10.091 -10.724 -14.766 555 2HG GLU 105 2HG GLU 105 -9.297 -8.422 -16.500 556 H ASN 106 H ASN 106 -10.564 -8.859 -11.676 557 HA ASN 106 HA ASN 106 -13.210 -8.573 -12.776 558 2HB ASN 106 2HB ASN 106 -13.162 -8.593 -9.870 559 1HD2 ASN 106 1HD2 ASN 106 -15.109 -8.525 -11.728 560 2HD2 ASN 106 2HD2 ASN 106 -15.966 -10.028 -11.817 561 H GLY 107 H GLY 107 -10.715 -6.530 -12.010 562 1HA GLY 107 1HA GLY 107 -10.686 -4.276 -11.762 563 2HA GLY 107 2HA GLY 107 -12.433 -4.263 -11.616 564 H THR 108 H THR 108 -9.901 -6.009 -9.684 565 HA THR 108 HA THR 108 -10.738 -4.428 -7.352 566 HB THR 108 HB THR 108 -10.500 -6.733 -6.119 567 HG1 THR 108 1HG THR 108 -11.037 -7.458 -8.912 568 1HG2 THR 108 1HG2 THR 108 -12.758 -6.199 -8.118 569 2HG2 THR 108 2HG2 THR 108 -12.806 -7.507 -6.911 570 3HG2 THR 108 3HG2 THR 108 -12.753 -5.808 -6.380 571 H TRP 109 H TRP 109 -9.130 -4.927 -5.446 572 HA TRP 109 HA TRP 109 -6.464 -4.675 -6.643 573 2HB TRP 109 2HB TRP 109 -6.093 -3.783 -4.158 574 HD1 TRP 109 HD TRP 109 -8.051 -0.926 -4.874 575 HE1 TRP 109 1HE TRP 109 -6.984 0.833 -6.526 576 HE3 TRP 109 3HE TRP 109 -4.553 -4.073 -6.802 577 HZ2 TRP 109 2HZ TRP 109 -4.845 0.714 -8.412 578 HZ3 TRP 109 3HZ TRP 109 -3.015 -3.173 -8.544 579 HH2 TRP 109 HH TRP 109 -3.120 -0.868 -9.351 580 H ALA 110 H ALA 110 -4.759 -5.389 -4.721 581 HA ALA 110 HA ALA 110 -5.471 -8.177 -4.223 582 1HB ALA 110 1HB ALA 110 -3.219 -6.956 -5.287 583 2HB ALA 110 2HB ALA 110 -2.734 -7.285 -3.607 584 3HB ALA 110 3HB ALA 110 -3.294 -8.616 -4.647 585 H SER 111 H SER 111 -3.357 -8.364 -2.107 586 HA SER 111 HA SER 111 -4.966 -7.175 0.007 587 2HB SER 111 2HB SER 111 -3.040 -9.175 0.913 588 HG SER 111 HG SER 111 -5.608 -10.046 1.006 589 H ARG 112 H ARG 112 -1.544 -8.388 -0.221 590 HA ARG 112 HA ARG 112 -0.763 -5.895 1.044 591 2HB ARG 112 2HB ARG 112 1.133 -8.231 0.771 592 2HG ARG 112 2HG ARG 112 0.789 -7.044 3.416 593 2HD ARG 112 2HD ARG 112 3.260 -6.282 2.659 594 HE ARG 112 HE ARG 112 2.215 -8.691 3.818 595 1HH1 ARG 112 2HH2 ARG 112 5.138 -7.449 2.302 596 2HH1 ARG 112 1HH2 ARG 112 6.189 -8.545 3.135 597 1HH2 ARG 112 2HH1 ARG 112 3.602 -10.138 4.916 598 2HH2 ARG 112 1HH1 ARG 112 5.310 -10.085 4.631 599 H VAL 113 H VAL 113 0.321 -4.395 -0.200 600 HA VAL 113 HA VAL 113 1.747 -5.415 -2.558 601 HB VAL 113 HB VAL 113 -0.101 -3.049 -2.277 602 1HG1 VAL 113 1HG1 VAL 113 1.003 -3.233 -4.920 603 2HG1 VAL 113 2HG1 VAL 113 1.053 -1.870 -3.776 604 3HG1 VAL 113 3HG1 VAL 113 2.334 -3.106 -3.744 605 1HG2 VAL 113 1HG2 VAL 113 -0.853 -5.455 -2.945 606 2HG2 VAL 113 2HG2 VAL 113 -1.424 -4.066 -3.899 607 3HG2 VAL 113 3HG2 VAL 113 -0.090 -5.075 -4.507 608 H ASN 114 H ASN 114 3.891 -5.072 -2.348 609 HA ASN 114 HA ASN 114 4.970 -2.615 -1.874 610 2HB ASN 114 2HB ASN 114 5.100 -4.393 0.618 611 1HD2 ASN 114 1HD2 ASN 114 5.551 -1.127 -0.738 612 2HD2 ASN 114 2HD2 ASN 114 6.979 -0.715 0.151 613 H TYR 115 H TYR 115 5.206 -6.163 -1.237 614 HA TYR 115 HA TYR 115 7.973 -6.414 -1.366 615 2HB TYR 115 2HB TYR 115 6.618 -8.260 -0.593 616 HD1 TYR 115 1HD TYR 115 4.790 -9.973 -0.837 617 HD2 TYR 115 2HD TYR 115 5.115 -6.601 -3.450 618 HE1 TYR 115 1HE TYR 115 2.378 -10.299 -1.569 619 HE2 TYR 115 2HE TYR 115 2.702 -6.939 -4.174 620 HH TYR 115 HH TYR 115 0.749 -7.927 -3.515 621 H SER 116 H SER 116 8.501 -4.837 -3.127 622 HA SER 116 HA SER 116 7.715 -5.550 -5.756 623 2HB SER 116 2HB SER 116 8.412 -3.208 -4.716 624 HG SER 116 HG SER 116 10.622 -3.867 -4.238 625 H HIS 117 H HIS 117 10.501 -6.104 -3.593 626 HA HIS 117 HA HIS 117 12.185 -7.511 -3.721 627 2HB HIS 117 2HB HIS 117 12.145 -9.412 -5.137 628 HD1 HIS 117 1HD HIS 117 10.892 -9.901 -2.739 629 HD2 HIS 117 2HD HIS 117 8.444 -9.033 -6.033 630 HE1 HIS 117 1HE HIS 117 8.551 -10.709 -2.123 631 H CYS 118 H CYS 118 12.214 -4.801 -4.860 632 HA CYS 118 HA CYS 118 14.138 -5.174 -7.030 633 2HB CYS 118 2HB CYS 118 13.490 -2.427 -6.651 634 H GLU 119 H GLU 119 13.565 -4.040 -3.716 635 HA GLU 119 HA GLU 119 15.907 -2.517 -3.504 636 2HB GLU 119 2HB GLU 119 14.384 -3.895 -1.253 637 2HG GLU 119 2HG GLU 119 15.588 -1.141 -1.100 638 HA PRO 120 HA PRO 120 17.597 -6.605 -1.751 639 2HB PRO 120 2HB PRO 120 16.072 -8.064 -0.830 640 2HG PRO 120 2HG PRO 120 13.892 -7.736 -1.512 641 2HD PRO 120 2HD PRO 120 13.983 -5.521 -2.117 642 H ILE 121 H ILE 121 18.465 -5.352 -3.840 643 HA ILE 121 HA ILE 121 18.560 -7.065 -6.116 644 HB ILE 121 HB ILE 121 18.817 -4.415 -5.739 645 2HG1 ILE 121 2HG1 ILE 121 19.115 -6.294 -7.897 646 1HG2 ILE 121 1HG2 ILE 121 21.020 -3.633 -5.936 647 2HG2 ILE 121 2HG2 ILE 121 21.090 -4.872 -4.660 648 3HG2 ILE 121 3HG2 ILE 121 21.660 -5.254 -6.302 649 1HD1 ILE 121 1HD1 ILE 121 18.252 -3.401 -7.557 650 2HD1 ILE 121 2HD1 ILE 121 18.301 -4.170 -9.161 651 3HD1 ILE 121 3HD1 ILE 121 17.241 -4.827 -7.891 652 H LEU 122 H LEU 122 20.620 -7.925 -7.042 653 HA LEU 122 HA LEU 122 21.939 -9.477 -5.086 654 2HB LEU 122 2HB LEU 122 21.506 -10.345 -7.273 655 HG LEU 122 HG LEU 122 22.716 -7.884 -8.255 656 1HD1 LEU 122 1HD1 LEU 122 24.671 -8.705 -8.970 657 2HD1 LEU 122 2HD1 LEU 122 24.151 -10.396 -8.773 658 3HD1 LEU 122 3HD1 LEU 122 23.700 -9.491 -10.238 659 1HD2 LEU 122 1HD2 LEU 122 21.120 -8.094 -9.803 660 2HD2 LEU 122 2HD2 LEU 122 21.591 -9.765 -10.200 661 3HD2 LEU 122 3HD2 LEU 122 20.521 -9.447 -8.813 662 H ASP 123 H ASP 123 22.671 -7.731 -3.629 663 HA ASP 123 HA ASP 123 25.267 -6.819 -4.528 664 2HB ASP 123 2HB ASP 123 23.830 -4.870 -4.842 665 H ASP 124 H ASP 124 26.184 -8.428 -3.083 666 HA ASP 124 HA ASP 124 26.984 -9.179 -1.213 667 2HB ASP 124 2HB ASP 124 25.937 -7.134 0.652 668 H LYS 125 H LYS 125 25.618 -11.008 -0.897 669 HA LYS 125 HA LYS 125 23.091 -10.528 0.497 670 2HB LYS 125 2HB LYS 125 22.976 -11.735 -1.643 671 2HG LYS 125 2HG LYS 125 25.335 -12.956 -0.862 672 2HD LYS 125 2HD LYS 125 23.031 -14.924 -0.481 673 2HE LYS 125 2HE LYS 125 25.255 -15.600 -1.829 674 1HZ LYS 125 1HZ LYS 125 26.826 -16.487 -0.220 675 2HZ LYS 125 2HZ LYS 125 26.750 -14.858 -0.141 676 3HZ LYS 125 3HZ LYS 125 26.021 -15.764 1.003 677 H GLN 126 H GLN 126 22.832 -11.084 2.606 678 HA GLN 126 HA GLN 126 25.111 -12.413 3.819 679 2HB GLN 126 2HB GLN 126 24.421 -10.188 4.720 680 2HG GLN 126 2HG GLN 126 21.908 -11.663 5.636 681 1HE2 GLN 126 1HE2 GLN 126 21.753 -8.431 4.658 682 2HE2 GLN 126 2HE2 GLN 126 21.765 -7.651 6.204 683 H ARG 127 H ARG 127 24.541 -13.927 5.736 684 HA ARG 127 HA ARG 127 22.093 -15.358 5.092 685 2HB ARG 127 2HB ARG 127 24.469 -16.913 6.100 686 2HG ARG 127 2HG ARG 127 21.901 -17.462 4.956 687 2HD ARG 127 2HD ARG 127 24.047 -18.822 3.310 688 HE ARG 127 HE ARG 127 21.982 -19.794 2.747 689 1HH1 ARG 127 2HH2 ARG 127 21.663 -16.290 2.801 690 2HH1 ARG 127 1HH2 ARG 127 20.077 -16.296 2.104 691 1HH2 ARG 127 2HH1 ARG 127 19.890 -19.803 1.828 692 2HH2 ARG 127 1HH1 ARG 127 19.062 -18.307 1.547 693 H LYS 128 H LYS 128 21.304 -16.752 6.968 694 HA LYS 128 HA LYS 128 22.439 -16.528 9.513 695 2HB LYS 128 2HB LYS 128 19.976 -14.909 9.627 696 2HG LYS 128 2HG LYS 128 22.073 -13.573 10.874 697 2HD LYS 128 2HD LYS 128 19.818 -15.283 11.638 698 2HE LYS 128 2HE LYS 128 21.830 -16.549 12.668 699 1HZ LYS 128 1HZ LYS 128 23.237 -15.254 13.735 700 2HZ LYS 128 2HZ LYS 128 22.268 -13.943 13.645 701 3HZ LYS 128 3HZ LYS 128 22.103 -14.997 14.881 702 H TYR 129 H TYR 129 20.525 -17.094 11.226 703 HA TYR 129 HA TYR 129 18.369 -18.579 10.098 704 2HB TYR 129 2HB TYR 129 20.437 -20.164 11.682 705 HD1 TYR 129 1HD TYR 129 18.834 -20.518 8.310 706 HD2 TYR 129 2HD TYR 129 19.198 -22.045 12.290 707 HE1 TYR 129 1HE TYR 129 17.389 -22.515 7.685 708 HE2 TYR 129 2HE TYR 129 17.752 -24.036 11.651 709 HH TYR 129 HH TYR 129 16.694 -24.496 8.311 710 H ASP 130 H ASP 130 17.303 -19.962 11.964 711 HA ASP 130 HA ASP 130 17.527 -18.312 14.352 712 2HB ASP 130 2HB ASP 130 15.172 -20.059 13.516 713 H LEU 131 H LEU 131 16.842 -19.620 16.436 714 HA LEU 131 HA LEU 131 17.016 -22.437 16.367 715 2HB LEU 131 2HB LEU 131 19.400 -21.273 17.728 716 HG LEU 131 HG LEU 131 18.534 -23.924 16.807 717 1HD1 LEU 131 1HD1 LEU 131 20.076 -24.216 15.216 718 2HD1 LEU 131 2HD1 LEU 131 20.979 -22.756 15.687 719 3HD1 LEU 131 3HD1 LEU 131 21.248 -24.286 16.554 720 1HD2 LEU 131 1HD2 LEU 131 19.476 -24.622 18.744 721 2HD2 LEU 131 2HD2 LEU 131 20.877 -23.533 18.593 722 3HD2 LEU 131 3HD2 LEU 131 19.313 -22.898 19.159 723 H HIS 132 H HIS 132 16.376 -23.332 18.363 724 HA HIS 132 HA HIS 132 15.907 -21.355 20.469 725 2HB HIS 132 2HB HIS 132 13.844 -21.885 19.104 726 HD1 HIS 132 1HD HIS 132 13.945 -24.085 17.618 727 HD2 HIS 132 2HD HIS 132 13.187 -24.712 21.695 728 HE1 HIS 132 1HE HIS 132 13.088 -26.479 17.825 729 HE2 HIS 132 2HE HIS 132 12.692 -26.824 20.360 730 H TYR 133 H TYR 133 15.292 -22.628 22.615 731 HA TYR 133 HA TYR 133 17.504 -24.042 23.401 732 2HB TYR 133 2HB TYR 133 14.593 -24.369 24.353 733 HD1 TYR 133 1HD TYR 133 17.472 -23.035 26.247 734 HD2 TYR 133 2HD TYR 133 14.969 -26.435 25.554 735 HE1 TYR 133 1HE TYR 133 18.402 -24.154 28.332 736 HE2 TYR 133 2HE TYR 133 15.906 -27.542 27.641 737 HH TYR 133 HH TYR 133 18.187 -25.814 29.728 Start of MODEL 14 1 1H GLY 15 H GLY 15 -33.371 -1.453 27.708 2 1HA GLY 15 1HA GLY 15 -31.205 -3.213 27.856 3 2HA GLY 15 2HA GLY 15 -31.168 -1.558 27.279 4 H SER 16 H SER 16 -28.911 -2.335 28.528 5 HA SER 16 HA SER 16 -29.092 -0.849 31.002 6 2HB SER 16 2HB SER 16 -29.214 -3.206 31.700 7 HG SER 16 HG SER 16 -28.184 -4.342 30.048 8 H GLY 17 H GLY 17 -26.698 -0.406 31.826 9 1HA GLY 17 1HA GLY 17 -25.298 0.825 29.678 10 2HA GLY 17 2HA GLY 17 -24.806 0.728 31.357 11 H MET 18 H MET 18 -23.227 0.327 28.814 12 HA MET 18 HA MET 18 -22.293 -2.358 29.467 13 2HB MET 18 2HB MET 18 -21.595 -1.642 26.745 14 2HG MET 18 2HG MET 18 -22.745 -3.848 28.212 15 1HE MET 18 1HE MET 18 -24.665 -3.822 24.137 16 2HE MET 18 2HE MET 18 -24.156 -2.182 24.605 17 3HE MET 18 3HE MET 18 -22.970 -3.510 24.583 18 H LYS 19 H LYS 19 -20.087 -2.563 29.820 19 HA LYS 19 HA LYS 19 -18.467 -0.201 29.174 20 2HB LYS 19 2HB LYS 19 -17.186 -0.902 31.328 21 2HG LYS 19 2HG LYS 19 -19.796 0.185 32.197 22 2HD LYS 19 2HD LYS 19 -17.540 2.045 31.966 23 2HE LYS 19 2HE LYS 19 -19.154 0.808 34.235 24 1HZ LYS 19 1HZ LYS 19 -17.151 1.289 35.238 25 2HZ LYS 19 2HZ LYS 19 -16.846 2.598 34.311 26 3HZ LYS 19 3HZ LYS 19 -17.993 2.669 35.471 27 H GLU 20 H GLU 20 -17.000 -0.718 27.651 28 HA GLU 20 HA GLU 20 -15.622 -3.234 27.970 29 2HB GLU 20 2HB GLU 20 -15.963 -3.081 25.191 30 2HG GLU 20 2HG GLU 20 -16.898 -4.793 27.442 31 H THR 21 H THR 21 -13.478 -3.225 27.057 32 HA THR 21 HA THR 21 -12.549 -1.099 25.441 33 HB THR 21 HB THR 21 -12.903 0.133 27.620 34 HG1 THR 21 1HG THR 21 -10.812 1.041 27.358 35 1HG2 THR 21 1HG2 THR 21 -11.914 -2.178 28.836 36 2HG2 THR 21 2HG2 THR 21 -10.490 -1.110 28.825 37 3HG2 THR 21 3HG2 THR 21 -11.995 -0.578 29.612 38 H ALA 22 H ALA 22 -10.662 -1.654 24.455 39 HA ALA 22 HA ALA 22 -8.929 -3.578 25.712 40 1HB ALA 22 1HB ALA 22 -9.508 -5.421 24.542 41 2HB ALA 22 2HB ALA 22 -11.025 -4.567 24.174 42 3HB ALA 22 3HB ALA 22 -9.668 -4.507 23.024 43 H ALA 23 H ALA 23 -7.121 -4.146 23.910 44 HA ALA 23 HA ALA 23 -5.478 -3.371 22.648 45 1HB ALA 23 1HB ALA 23 -6.313 -2.761 20.657 46 2HB ALA 23 2HB ALA 23 -7.885 -2.420 21.421 47 3HB ALA 23 3HB ALA 23 -6.659 -1.135 21.294 48 H ALA 24 H ALA 24 -3.728 -2.119 23.179 49 HA ALA 24 HA ALA 24 -3.878 0.587 23.825 50 1HB ALA 24 1HB ALA 24 -4.368 -1.316 26.049 51 2HB ALA 24 2HB ALA 24 -3.126 -0.082 26.371 52 3HB ALA 24 3HB ALA 24 -4.773 0.411 25.910 53 H LYS 25 H LYS 25 -2.110 0.519 22.346 54 HA LYS 25 HA LYS 25 0.032 0.482 21.812 55 2HB LYS 25 2HB LYS 25 1.328 -0.297 24.255 56 2HG LYS 25 2HG LYS 25 1.715 2.344 24.144 57 2HD LYS 25 2HD LYS 25 3.206 1.796 21.972 58 2HE LYS 25 2HE LYS 25 4.691 0.350 23.634 59 1HZ LYS 25 1HZ LYS 25 5.420 2.453 23.479 60 2HZ LYS 25 2HZ LYS 25 3.956 3.137 23.712 61 3HZ LYS 25 3HZ LYS 25 4.808 2.579 24.989 62 H PHE 26 H PHE 26 0.126 -1.196 20.363 63 HA PHE 26 HA PHE 26 1.347 -3.600 21.309 64 2HB PHE 26 2HB PHE 26 -0.810 -4.616 19.801 65 HD1 PHE 26 1HD PHE 26 0.325 -6.471 21.044 66 HD2 PHE 26 2HD PHE 26 -2.029 -3.545 23.020 67 HE1 PHE 26 1HE PHE 26 0.138 -7.974 23.046 68 HE2 PHE 26 2HE PHE 26 -2.217 -5.048 25.022 69 HZ PHE 26 HZ PHE 26 -1.130 -7.244 25.011 70 H GLU 27 H GLU 27 1.586 -5.198 19.329 71 HA GLU 27 HA GLU 27 2.928 -3.816 17.372 72 2HB GLU 27 2HB GLU 27 2.767 -6.078 16.118 73 2HG GLU 27 2HG GLU 27 3.848 -7.209 18.378 74 H ARG 28 H ARG 28 0.622 -6.092 15.994 75 HA ARG 28 HA ARG 28 -0.814 -3.836 14.849 76 2HB ARG 28 2HB ARG 28 0.773 -4.730 13.163 77 2HG ARG 28 2HG ARG 28 -0.361 -7.241 12.503 78 2HD ARG 28 2HD ARG 28 2.165 -7.079 14.144 79 HE ARG 28 HE ARG 28 1.104 -8.848 12.171 80 1HH1 ARG 28 2HH2 ARG 28 4.137 -7.258 12.980 81 2HH1 ARG 28 1HH2 ARG 28 5.122 -8.489 12.261 82 1HH2 ARG 28 2HH1 ARG 28 2.403 -10.472 11.223 83 2HH2 ARG 28 1HH1 ARG 28 4.128 -10.330 11.255 84 H GLN 29 H GLN 29 -2.052 -4.755 16.956 85 HA GLN 29 HA GLN 29 -3.353 -7.190 16.748 86 2HB GLN 29 2HB GLN 29 -4.477 -4.777 18.210 87 2HG GLN 29 2HG GLN 29 -4.823 -6.662 19.954 88 1HE2 GLN 29 1HE2 GLN 29 -6.423 -8.722 18.602 89 2HE2 GLN 29 2HE2 GLN 29 -7.845 -7.941 17.992 90 H HIS 30 H HIS 30 -4.802 -3.867 16.376 91 HA HIS 30 HA HIS 30 -6.116 -4.623 13.982 92 2HB HIS 30 2HB HIS 30 -7.837 -4.312 16.458 93 HD1 HIS 30 1HD HIS 30 -10.340 -5.520 15.623 94 HD2 HIS 30 2HD HIS 30 -8.059 -3.296 12.894 95 HE1 HIS 30 1HE HIS 30 -11.940 -4.807 13.768 96 H MET 31 H MET 31 -5.107 -2.746 13.171 97 HA MET 31 HA MET 31 -4.526 -0.570 13.205 98 2HB MET 31 2HB MET 31 -6.450 -0.927 11.632 99 2HG MET 31 2HG MET 31 -8.356 0.325 13.592 100 1HE MET 31 1HE MET 31 -11.266 -0.928 12.758 101 2HE MET 31 2HE MET 31 -10.343 0.563 13.059 102 3HE MET 31 3HE MET 31 -11.093 0.288 11.469 103 H ASP 32 H ASP 32 -3.740 0.040 15.273 104 HA ASP 32 HA ASP 32 -5.639 0.725 17.289 105 2HB ASP 32 2HB ASP 32 -3.639 1.259 18.641 106 H SER 33 H SER 33 -5.992 2.917 18.084 107 HA SER 33 HA SER 33 -6.175 5.077 17.986 108 2HB SER 33 2HB SER 33 -4.135 6.180 16.458 109 HG SER 33 HG SER 33 -2.963 5.764 18.741 110 HA PRO 34 HA PRO 34 -8.047 6.035 14.176 111 2HB PRO 34 2HB PRO 34 -9.286 7.749 15.087 112 2HG PRO 34 2HG PRO 34 -8.372 8.698 16.980 113 2HD PRO 34 2HD PRO 34 -7.067 6.956 17.719 114 H ASP 35 H ASP 35 -7.845 8.148 12.374 115 HA ASP 35 HA ASP 35 -5.369 7.312 11.178 116 2HB ASP 35 2HB ASP 35 -7.052 7.316 9.558 117 H LEU 36 H LEU 36 -3.564 8.703 10.956 118 HA LEU 36 HA LEU 36 -3.828 11.310 12.236 119 2HB LEU 36 2HB LEU 36 -1.145 10.645 11.497 120 HG LEU 36 HG LEU 36 -2.453 11.683 13.749 121 1HD1 LEU 36 1HD1 LEU 36 -0.783 9.468 14.840 122 2HD1 LEU 36 2HD1 LEU 36 -2.162 10.334 15.558 123 3HD1 LEU 36 3HD1 LEU 36 -2.444 9.083 14.323 124 1HD2 LEU 36 1HD2 LEU 36 0.471 10.951 13.693 125 2HD2 LEU 36 2HD2 LEU 36 -0.200 12.220 12.640 126 3HD2 LEU 36 3HD2 LEU 36 -0.319 12.376 14.410 127 H GLY 37 H GLY 37 -1.628 10.215 9.590 128 1HA GLY 37 1HA GLY 37 -1.289 11.022 7.516 129 2HA GLY 37 2HA GLY 37 -2.911 11.685 7.541 130 H THR 38 H THR 38 -0.176 12.789 6.645 131 HA THR 38 HA THR 38 0.150 15.034 8.468 132 HB THR 38 HB THR 38 2.126 13.793 7.545 133 HG1 THR 38 1HG THR 38 1.709 16.437 6.348 134 1HG2 THR 38 1HG2 THR 38 0.900 14.739 4.918 135 2HG2 THR 38 2HG2 THR 38 2.654 14.476 5.075 136 3HG2 THR 38 3HG2 THR 38 1.525 13.121 5.320 137 H THR 39 H THR 39 -2.367 14.573 6.826 138 HA THR 39 HA THR 39 -2.453 17.292 5.793 139 HB THR 39 HB THR 39 -1.766 15.800 3.871 140 HG1 THR 39 1HG THR 39 -3.070 17.328 2.942 141 1HG2 THR 39 1HG2 THR 39 -2.763 13.736 3.754 142 2HG2 THR 39 2HG2 THR 39 -4.021 14.202 4.925 143 3HG2 THR 39 3HG2 THR 39 -4.217 14.601 3.201 144 H LEU 40 H LEU 40 -5.086 16.265 4.445 145 HA LEU 40 HA LEU 40 -6.642 16.677 6.865 146 2HB LEU 40 2HB LEU 40 -7.546 18.102 5.405 147 HG LEU 40 HG LEU 40 -6.556 16.321 3.188 148 1HD1 LEU 40 1HD1 LEU 40 -7.737 17.690 1.551 149 2HD1 LEU 40 2HD1 LEU 40 -8.884 16.866 2.636 150 3HD1 LEU 40 3HD1 LEU 40 -8.532 18.596 2.860 151 1HD2 LEU 40 1HD2 LEU 40 -6.240 19.293 3.287 152 2HD2 LEU 40 2HD2 LEU 40 -5.266 18.285 4.385 153 3HD2 LEU 40 3HD2 LEU 40 -5.158 18.044 2.625 154 H LEU 41 H LEU 41 -6.997 14.578 3.918 155 HA LEU 41 HA LEU 41 -7.169 12.241 5.555 156 2HB LEU 41 2HB LEU 41 -9.386 13.158 5.934 157 HG LEU 41 HG LEU 41 -9.396 13.835 3.179 158 1HD1 LEU 41 1HD1 LEU 41 -10.355 12.053 2.210 159 2HD1 LEU 41 2HD1 LEU 41 -10.935 11.390 3.756 160 3HD1 LEU 41 3HD1 LEU 41 -11.852 12.680 2.943 161 1HD2 LEU 41 1HD2 LEU 41 -11.910 14.414 4.025 162 2HD2 LEU 41 2HD2 LEU 41 -11.065 14.233 5.582 163 3HD2 LEU 41 3HD2 LEU 41 -10.472 15.402 4.378 164 H GLU 42 H GLU 42 -5.264 12.785 3.733 165 HA GLU 42 HA GLU 42 -4.281 12.010 1.960 166 2HB GLU 42 2HB GLU 42 -6.036 9.979 0.933 167 2HG GLU 42 2HG GLU 42 -3.469 10.023 1.205 168 H GLN 43 H GLN 43 -6.661 14.003 1.854 169 HA GLN 43 HA GLN 43 -7.843 15.097 0.386 170 2HB GLN 43 2HB GLN 43 -6.692 15.416 -1.905 171 2HG GLN 43 2HG GLN 43 -4.446 16.027 -0.257 172 1HE2 GLN 43 1HE2 GLN 43 -7.818 17.101 -0.697 173 2HE2 GLN 43 2HE2 GLN 43 -7.466 18.627 -1.437 174 H TYR 44 H TYR 44 -8.652 14.972 -2.199 175 HA TYR 44 HA TYR 44 -10.412 12.791 -2.211 176 2HB TYR 44 2HB TYR 44 -10.442 13.735 -4.768 177 HD1 TYR 44 1HD TYR 44 -12.631 14.427 -5.036 178 HD2 TYR 44 2HD TYR 44 -10.468 15.753 -1.591 179 HE1 TYR 44 1HE TYR 44 -14.684 15.687 -4.223 180 HE2 TYR 44 2HE TYR 44 -12.528 17.010 -0.790 181 HH TYR 44 HH TYR 44 -14.631 17.407 -1.117 182 H CYS 45 H CYS 45 -8.831 10.979 -1.897 183 HA CYS 45 HA CYS 45 -6.865 10.334 -3.684 184 2HB CYS 45 2HB CYS 45 -7.726 7.878 -2.994 185 H HIS 46 H HIS 46 -10.322 9.173 -3.636 186 HA HIS 46 HA HIS 46 -10.433 7.679 -5.817 187 2HB HIS 46 2HB HIS 46 -12.451 9.835 -5.133 188 HD1 HIS 46 1HD HIS 46 -14.164 6.800 -5.104 189 HD2 HIS 46 2HD HIS 46 -12.620 9.143 -8.222 190 HE1 HIS 46 1HE HIS 46 -15.437 6.119 -7.207 191 H ARG 47 H ARG 47 -10.632 7.898 -8.094 192 HA ARG 47 HA ARG 47 -9.084 9.922 -9.162 193 2HB ARG 47 2HB ARG 47 -11.025 7.922 -10.405 194 2HG ARG 47 2HG ARG 47 -9.938 10.294 -11.639 195 2HD ARG 47 2HD ARG 47 -9.003 7.792 -13.073 196 HE ARG 47 HE ARG 47 -8.572 9.560 -14.539 197 1HH1 ARG 47 2HH2 ARG 47 -7.761 10.571 -11.267 198 2HH1 ARG 47 1HH2 ARG 47 -7.078 12.082 -11.767 199 1HH2 ARG 47 2HH1 ARG 47 -7.670 11.553 -15.198 200 2HH2 ARG 47 1HH1 ARG 47 -7.026 12.645 -14.017 201 H THR 48 H THR 48 -12.392 9.281 -10.452 202 HA THR 48 HA THR 48 -13.820 11.396 -9.613 203 HB THR 48 HB THR 48 -12.305 13.102 -10.209 204 HG1 THR 48 1HG THR 48 -13.627 14.010 -11.756 205 1HG2 THR 48 1HG2 THR 48 -10.483 12.187 -11.366 206 2HG2 THR 48 2HG2 THR 48 -11.522 11.184 -12.406 207 3HG2 THR 48 3HG2 THR 48 -11.353 12.926 -12.731 208 H THR 49 H THR 49 -12.694 9.686 -12.565 209 HA THR 49 HA THR 49 -14.941 8.291 -13.057 210 HB THR 49 HB THR 49 -16.449 10.089 -13.243 211 HG1 THR 49 1HG THR 49 -15.143 10.100 -15.863 212 1HG2 THR 49 1HG2 THR 49 -15.394 12.024 -14.971 213 2HG2 THR 49 2HG2 THR 49 -15.515 12.189 -13.203 214 3HG2 THR 49 3HG2 THR 49 -14.002 11.611 -13.942 215 H ILE 50 H ILE 50 -15.193 7.699 -15.498 216 HA ILE 50 HA ILE 50 -12.533 7.127 -16.377 217 HB ILE 50 HB ILE 50 -15.304 6.401 -17.259 218 2HG1 ILE 50 2HG1 ILE 50 -13.270 5.244 -15.603 219 1HG2 ILE 50 1HG2 ILE 50 -12.920 6.514 -18.957 220 2HG2 ILE 50 2HG2 ILE 50 -13.668 4.902 -18.887 221 3HG2 ILE 50 3HG2 ILE 50 -14.634 6.310 -19.388 222 1HD1 ILE 50 1HD1 ILE 50 -15.946 4.140 -16.574 223 2HD1 ILE 50 2HD1 ILE 50 -15.059 3.635 -15.116 224 3HD1 ILE 50 3HD1 ILE 50 -15.752 5.271 -15.213 225 H GLY 51 H GLY 51 -15.361 8.967 -17.721 226 1HA GLY 51 1HA GLY 51 -13.872 11.121 -18.641 227 2HA GLY 51 2HA GLY 51 -13.927 9.961 -19.953 228 H ASN 52 H ASN 52 -16.555 8.804 -19.266 229 HA ASN 52 HA ASN 52 -18.128 10.963 -20.348 230 2HB ASN 52 2HB ASN 52 -19.164 8.151 -19.843 231 1HD2 ASN 52 1HD2 ASN 52 -21.238 8.756 -20.024 232 2HD2 ASN 52 2HD2 ASN 52 -21.948 9.501 -21.418 233 H PHE 53 H PHE 53 -17.578 11.614 -17.761 234 HA PHE 53 HA PHE 53 -18.507 12.175 -15.841 235 2HB PHE 53 2HB PHE 53 -21.163 10.967 -16.166 236 HD1 PHE 53 1HD PHE 53 -19.758 14.140 -17.533 237 HD2 PHE 53 2HD PHE 53 -22.188 12.304 -14.578 238 HE1 PHE 53 1HE PHE 53 -20.447 16.403 -16.692 239 HE2 PHE 53 2HE PHE 53 -22.876 14.566 -13.738 240 HZ PHE 53 HZ PHE 53 -21.998 16.589 -14.805 241 H SER 54 H SER 54 -20.354 9.142 -16.638 242 HA SER 54 HA SER 54 -18.824 7.682 -14.747 243 2HB SER 54 2HB SER 54 -21.781 7.960 -14.106 244 HG SER 54 HG SER 54 -19.563 6.624 -13.026 245 H GLY 55 H GLY 55 -18.848 7.039 -17.291 246 1HA GLY 55 1HA GLY 55 -21.128 5.509 -18.133 247 2HA GLY 55 2HA GLY 55 -19.580 5.662 -18.939 248 HA PRO 56 HA PRO 56 -18.577 1.708 -17.466 249 2HB PRO 56 2HB PRO 56 -16.964 1.431 -19.087 250 2HG PRO 56 2HG PRO 56 -16.143 3.396 -19.973 251 2HD PRO 56 2HD PRO 56 -17.907 4.806 -19.545 252 H TYR 57 H TYR 57 -16.920 0.458 -15.970 253 HA TYR 57 HA TYR 57 -15.787 1.872 -13.868 254 2HB TYR 57 2HB TYR 57 -18.544 0.630 -13.295 255 HD1 TYR 57 1HD TYR 57 -19.342 0.710 -11.061 256 HD2 TYR 57 2HD TYR 57 -15.732 2.758 -12.099 257 HE1 TYR 57 1HE TYR 57 -18.858 1.119 -8.598 258 HE2 TYR 57 2HE TYR 57 -15.260 3.160 -9.633 259 HH TYR 57 HH TYR 57 -16.052 3.044 -7.609 260 H THR 58 H THR 58 -15.911 0.211 -11.735 261 HA THR 58 HA THR 58 -15.562 -1.876 -10.954 262 HB THR 58 HB THR 58 -15.724 -2.994 -13.784 263 HG1 THR 58 1HG THR 58 -17.739 -2.055 -11.875 264 1HG2 THR 58 1HG2 THR 58 -16.167 -3.977 -10.956 265 2HG2 THR 58 2HG2 THR 58 -17.178 -4.657 -12.253 266 3HG2 THR 58 3HG2 THR 58 -15.406 -4.817 -12.330 267 H TYR 59 H TYR 59 -13.610 0.123 -11.823 268 HA TYR 59 HA TYR 59 -11.386 -1.717 -12.403 269 2HB TYR 59 2HB TYR 59 -11.978 -0.027 -14.210 270 HD1 TYR 59 1HD TYR 59 -13.853 1.489 -13.756 271 HD2 TYR 59 2HD TYR 59 -9.962 2.243 -12.145 272 HE1 TYR 59 1HE TYR 59 -14.534 3.876 -13.206 273 HE2 TYR 59 2HE TYR 59 -10.657 4.628 -11.602 274 HH TYR 59 HH TYR 59 -13.275 6.087 -12.925 275 H CYS 60 H CYS 60 -9.429 -1.408 -11.234 276 HA CYS 60 HA CYS 60 -9.616 -0.856 -8.616 277 2HB CYS 60 2HB CYS 60 -7.254 -0.781 -8.520 278 H ASN 61 H ASN 61 -9.829 0.983 -7.352 279 HA ASN 61 HA ASN 61 -9.651 3.501 -8.797 280 2HB ASN 61 2HB ASN 61 -11.076 2.852 -6.163 281 1HD2 ASN 61 1HD2 ASN 61 -11.833 4.901 -8.931 282 2HD2 ASN 61 2HD2 ASN 61 -11.825 6.424 -8.106 283 H THR 62 H THR 62 -8.954 5.418 -7.253 284 HA THR 62 HA THR 62 -6.427 4.797 -6.161 285 HB THR 62 HB THR 62 -8.211 7.280 -5.941 286 HG1 THR 62 1HG THR 62 -7.362 7.631 -7.983 287 1HG2 THR 62 1HG2 THR 62 -6.467 8.296 -4.874 288 2HG2 THR 62 2HG2 THR 62 -5.670 6.711 -4.735 289 3HG2 THR 62 3HG2 THR 62 -5.348 7.749 -6.145 290 H THR 63 H THR 63 -5.859 3.974 -4.254 291 HA THR 63 HA THR 63 -7.461 4.623 -1.923 292 HB THR 63 HB THR 63 -8.269 2.424 -3.232 293 HG1 THR 63 1HG THR 63 -7.549 2.444 -0.389 294 1HG2 THR 63 1HG2 THR 63 -6.024 1.305 -3.234 295 2HG2 THR 63 2HG2 THR 63 -5.962 1.453 -1.462 296 3HG2 THR 63 3HG2 THR 63 -7.188 0.412 -2.225 297 H LEU 64 H LEU 64 -6.378 4.028 0.112 298 HA LEU 64 HA LEU 64 -3.509 4.294 -0.270 299 2HB LEU 64 2HB LEU 64 -4.715 5.883 1.156 300 HG LEU 64 HG LEU 64 -6.067 3.733 2.259 301 1HD1 LEU 64 1HD1 LEU 64 -3.734 3.508 3.540 302 2HD1 LEU 64 2HD1 LEU 64 -4.500 4.729 4.584 303 3HD1 LEU 64 3HD1 LEU 64 -5.296 3.160 4.316 304 1HD2 LEU 64 1HD2 LEU 64 -6.895 6.005 2.161 305 2HD2 LEU 64 2HD2 LEU 64 -6.979 5.403 3.833 306 3HD2 LEU 64 3HD2 LEU 64 -5.686 6.531 3.358 307 H ASP 65 H ASP 65 -1.984 2.803 0.468 308 HA ASP 65 HA ASP 65 -3.105 0.187 0.913 309 2HB ASP 65 2HB ASP 65 -0.141 0.789 0.801 310 H GLN 66 H GLN 66 -1.081 -1.059 2.426 311 HA GLN 66 HA GLN 66 -1.680 -0.087 4.997 312 2HB GLN 66 2HB GLN 66 0.350 -1.930 5.368 313 2HG GLN 66 2HG GLN 66 -2.343 -3.033 4.651 314 1HE2 GLN 66 1HE2 GLN 66 -2.722 -2.976 7.658 315 2HE2 GLN 66 2HE2 GLN 66 -1.727 -4.255 8.271 316 H ILE 67 H ILE 67 0.640 0.813 2.651 317 HA ILE 67 HA ILE 67 2.496 1.761 4.711 318 HB ILE 67 HB ILE 67 3.997 2.149 2.722 319 2HG1 ILE 67 2HG1 ILE 67 1.887 1.919 1.147 320 1HG2 ILE 67 1HG2 ILE 67 3.409 -0.766 2.811 321 2HG2 ILE 67 2HG2 ILE 67 4.943 0.111 3.027 322 3HG2 ILE 67 3HG2 ILE 67 3.760 0.046 4.356 323 1HD1 ILE 67 1HD1 ILE 67 3.550 2.281 -0.342 324 2HD1 ILE 67 2HD1 ILE 67 4.745 1.655 0.819 325 3HD1 ILE 67 3HD1 ILE 67 3.932 0.543 -0.309 326 H GLY 68 H GLY 68 -0.063 2.999 4.502 327 1HA GLY 68 1HA GLY 68 -1.097 4.960 3.989 328 2HA GLY 68 2HA GLY 68 0.398 5.617 4.626 329 H THR 69 H THR 69 -0.237 3.799 1.549 330 HA THR 69 HA THR 69 0.684 6.195 0.101 331 HB THR 69 HB THR 69 2.263 4.094 0.330 332 HG1 THR 69 1HG THR 69 1.285 5.310 -2.155 333 1HG2 THR 69 1HG2 THR 69 1.890 2.412 -1.440 334 2HG2 THR 69 2HG2 THR 69 0.496 2.402 -0.333 335 3HG2 THR 69 3HG2 THR 69 0.371 3.212 -1.913 336 H CYS 70 H CYS 70 -0.853 7.092 -1.105 337 HA CYS 70 HA CYS 70 -3.080 5.380 -1.876 338 2HB CYS 70 2HB CYS 70 -3.055 8.351 -2.257 339 H TRP 71 H TRP 71 -2.799 4.439 -3.874 340 HA TRP 71 HA TRP 71 -1.184 5.863 -5.842 341 2HB TRP 71 2HB TRP 71 -1.323 3.701 -7.081 342 HD1 TRP 71 HD TRP 71 -0.094 4.773 -3.642 343 HE1 TRP 71 1HE TRP 71 2.201 3.631 -3.014 344 HE3 TRP 71 3HE TRP 71 -0.079 1.469 -7.507 345 HZ2 TRP 71 2HZ TRP 71 3.731 1.521 -4.178 346 HZ3 TRP 71 3HZ TRP 71 1.852 -0.098 -7.688 347 HH2 TRP 71 HH TRP 71 3.713 -0.107 -6.104 348 HA PRO 72 HA PRO 72 -4.708 6.940 -8.137 349 2HB PRO 72 2HB PRO 72 -3.487 8.270 -9.565 350 2HG PRO 72 2HG PRO 72 -1.253 7.718 -9.722 351 2HD PRO 72 2HD PRO 72 -0.953 6.654 -7.706 352 H GLN 73 H GLN 73 -6.553 6.240 -9.214 353 HA GLN 73 HA GLN 73 -7.074 3.628 -9.055 354 2HB GLN 73 2HB GLN 73 -8.777 5.345 -9.510 355 2HG GLN 73 2HG GLN 73 -7.368 6.580 -11.253 356 1HE2 GLN 73 1HE2 GLN 73 -6.136 6.361 -12.946 357 2HE2 GLN 73 2HE2 GLN 73 -6.272 5.180 -14.206 358 H SER 74 H SER 74 -7.649 2.092 -11.028 359 HA SER 74 HA SER 74 -5.889 2.372 -13.244 360 2HB SER 74 2HB SER 74 -4.399 0.601 -12.839 361 HG SER 74 HG SER 74 -3.474 1.754 -11.286 362 H ALA 75 H ALA 75 -6.088 0.221 -14.661 363 HA ALA 75 HA ALA 75 -8.925 -0.389 -14.708 364 1HB ALA 75 1HB ALA 75 -7.264 -1.631 -16.767 365 2HB ALA 75 2HB ALA 75 -8.605 -0.473 -16.936 366 3HB ALA 75 3HB ALA 75 -6.952 0.116 -16.635 367 HA PRO 76 HA PRO 76 -8.447 -4.406 -13.183 368 2HB PRO 76 2HB PRO 76 -10.722 -4.753 -13.113 369 2HG PRO 76 2HG PRO 76 -11.940 -3.450 -14.576 370 2HD PRO 76 2HD PRO 76 -10.491 -1.688 -14.857 371 H GLY 77 H GLY 77 -7.410 -6.387 -13.368 372 1HA GLY 77 1HA GLY 77 -6.223 -7.987 -14.430 373 2HA GLY 77 2HA GLY 77 -6.962 -7.512 -15.947 374 H ALA 78 H ALA 78 -5.695 -4.722 -14.475 375 HA ALA 78 HA ALA 78 -3.639 -4.521 -16.422 376 1HB ALA 78 1HB ALA 78 -4.078 -2.780 -13.971 377 2HB ALA 78 2HB ALA 78 -3.327 -2.325 -15.518 378 3HB ALA 78 3HB ALA 78 -5.074 -2.654 -15.440 379 H LEU 79 H LEU 79 -1.759 -3.104 -14.514 380 HA LEU 79 HA LEU 79 -0.847 -4.888 -12.581 381 2HB LEU 79 2HB LEU 79 1.270 -5.189 -14.443 382 HG LEU 79 HG LEU 79 -0.603 -7.059 -13.035 383 1HD1 LEU 79 1HD1 LEU 79 0.050 -7.672 -15.592 384 2HD1 LEU 79 2HD1 LEU 79 1.443 -8.360 -14.726 385 3HD1 LEU 79 3HD1 LEU 79 -0.208 -8.874 -14.306 386 1HD2 LEU 79 1HD2 LEU 79 1.352 -6.168 -11.855 387 2HD2 LEU 79 2HD2 LEU 79 1.468 -7.930 -12.084 388 3HD2 LEU 79 3HD2 LEU 79 2.419 -6.834 -13.115 389 H VAL 80 H VAL 80 -0.569 -3.010 -11.376 390 HA VAL 80 HA VAL 80 1.133 -0.943 -12.522 391 HB VAL 80 HB VAL 80 -0.531 -1.093 -10.001 392 1HG1 VAL 80 1HG1 VAL 80 0.763 0.557 -9.217 393 2HG1 VAL 80 2HG1 VAL 80 1.611 0.734 -10.771 394 3HG1 VAL 80 3HG1 VAL 80 0.070 1.581 -10.497 395 1HG2 VAL 80 1HG2 VAL 80 -1.616 0.912 -11.422 396 2HG2 VAL 80 2HG2 VAL 80 -0.996 -0.078 -12.764 397 3HG2 VAL 80 3HG2 VAL 80 -2.134 -0.782 -11.591 398 H GLU 81 H GLU 81 2.809 -2.899 -12.432 399 HA GLU 81 HA GLU 81 3.933 -3.060 -9.770 400 2HB GLU 81 2HB GLU 81 3.639 -5.173 -10.998 401 2HG GLU 81 2HG GLU 81 4.968 -3.606 -13.151 402 H ARG 82 H ARG 82 6.208 -2.565 -9.365 403 HA ARG 82 HA ARG 82 7.651 -1.285 -11.453 404 2HB ARG 82 2HB ARG 82 6.473 0.698 -10.851 405 2HG ARG 82 2HG ARG 82 6.882 -0.092 -7.926 406 2HD ARG 82 2HD ARG 82 6.408 2.460 -9.108 407 HE ARG 82 HE ARG 82 3.888 1.153 -8.409 408 1HH1 ARG 82 2HH2 ARG 82 5.587 4.233 -8.511 409 2HH1 ARG 82 1HH2 ARG 82 4.135 5.177 -8.582 410 1HH2 ARG 82 2HH1 ARG 82 1.973 2.398 -8.501 411 2HH2 ARG 82 1HH1 ARG 82 2.066 4.125 -8.576 412 HA PRO 83 HA PRO 83 9.996 -3.325 -8.078 413 2HB PRO 83 2HB PRO 83 9.619 -5.543 -8.567 414 2HG PRO 83 2HG PRO 83 8.547 -5.917 -10.575 415 2HD PRO 83 2HD PRO 83 7.471 -3.904 -10.844 416 H CYS 84 H CYS 84 11.942 -2.606 -7.437 417 HA CYS 84 HA CYS 84 13.919 -1.671 -7.604 418 2HB CYS 84 2HB CYS 84 15.437 -2.716 -8.860 419 HA PRO 85 HA PRO 85 12.891 2.054 -9.651 420 2HB PRO 85 2HB PRO 85 13.539 3.314 -7.837 421 2HG PRO 85 2HG PRO 85 14.936 2.226 -6.359 422 2HD PRO 85 2HD PRO 85 14.382 0.040 -6.807 423 H GLU 86 H GLU 86 14.727 3.994 -10.592 424 HA GLU 86 HA GLU 86 15.896 2.403 -12.741 425 2HB GLU 86 2HB GLU 86 15.073 5.261 -13.212 426 2HG GLU 86 2HG GLU 86 14.402 3.129 -15.151 427 H TYR 87 H TYR 87 16.900 5.187 -13.771 428 HA TYR 87 HA TYR 87 18.764 6.378 -13.643 429 2HB TYR 87 2HB TYR 87 18.124 5.793 -10.699 430 HD1 TYR 87 1HD TYR 87 20.792 6.986 -12.860 431 HD2 TYR 87 2HD TYR 87 19.149 7.231 -8.917 432 HE1 TYR 87 1HE TYR 87 22.980 7.954 -12.000 433 HE2 TYR 87 2HE TYR 87 21.342 8.198 -8.071 434 HH TYR 87 HH TYR 87 23.988 8.903 -10.319 435 H PHE 88 H PHE 88 19.491 4.397 -10.718 436 HA PHE 88 HA PHE 88 21.869 3.449 -12.129 437 2HB PHE 88 2HB PHE 88 22.018 4.703 -9.913 438 HD1 PHE 88 1HD PHE 88 21.785 1.456 -8.361 439 HD2 PHE 88 2HD PHE 88 19.748 5.131 -8.951 440 HE1 PHE 88 1HE PHE 88 20.274 0.929 -6.427 441 HE2 PHE 88 2HE PHE 88 18.237 4.605 -7.017 442 HZ PHE 88 HZ PHE 88 18.518 2.510 -5.778 443 H ASN 89 H ASN 89 18.884 2.419 -10.464 444 HA ASN 89 HA ASN 89 17.796 0.518 -10.770 445 2HB ASN 89 2HB ASN 89 20.263 -1.012 -11.660 446 1HD2 ASN 89 1HD2 ASN 89 19.011 -1.621 -14.141 447 2HD2 ASN 89 2HD2 ASN 89 17.667 -2.671 -13.843 448 H GLY 90 H GLY 90 17.372 -0.477 -8.793 449 1HA GLY 90 1HA GLY 90 18.682 -2.387 -7.496 450 2HA GLY 90 2HA GLY 90 19.585 -0.981 -6.966 451 H ILE 91 H ILE 91 18.564 0.653 -5.653 452 HA ILE 91 HA ILE 91 15.871 0.743 -5.058 453 HB ILE 91 HB ILE 91 15.950 -1.432 -4.154 454 2HG1 ILE 91 2HG1 ILE 91 15.715 0.861 -2.296 455 1HG2 ILE 91 1HG2 ILE 91 18.639 -0.692 -3.366 456 2HG2 ILE 91 2HG2 ILE 91 17.743 -1.417 -2.009 457 3HG2 ILE 91 3HG2 ILE 91 17.901 -2.302 -3.545 458 1HD1 ILE 91 1HD1 ILE 91 14.054 -1.531 -3.171 459 2HD1 ILE 91 2HD1 ILE 91 13.556 -0.487 -1.817 460 3HD1 ILE 91 3HD1 ILE 91 13.733 0.198 -3.451 461 H LYS 92 H LYS 92 16.200 2.956 -5.067 462 HA LYS 92 HA LYS 92 16.886 4.196 -2.722 463 2HB LYS 92 2HB LYS 92 19.232 3.948 -4.611 464 2HG LYS 92 2HG LYS 92 19.969 5.591 -2.458 465 2HD LYS 92 2HD LYS 92 19.579 5.862 -5.399 466 2HE LYS 92 2HE LYS 92 18.606 7.988 -3.895 467 1HZ LYS 92 1HZ LYS 92 21.464 8.191 -4.148 468 2HZ LYS 92 2HZ LYS 92 20.623 9.526 -4.571 469 3HZ LYS 92 3HZ LYS 92 20.460 8.899 -3.072 470 H TYR 93 H TYR 93 14.829 4.324 -4.600 471 HA TYR 93 HA TYR 93 15.360 6.688 -6.213 472 2HB TYR 93 2HB TYR 93 12.605 5.613 -6.059 473 HD1 TYR 93 1HD TYR 93 15.783 5.891 -7.968 474 HD2 TYR 93 2HD TYR 93 11.525 5.525 -8.184 475 HE1 TYR 93 1HE TYR 93 15.859 6.397 -10.458 476 HE2 TYR 93 2HE TYR 93 11.615 6.032 -10.674 477 HH TYR 93 HH TYR 93 13.483 7.443 -12.155 478 H ASN 94 H ASN 94 12.567 7.595 -6.153 479 HA ASN 94 HA ASN 94 12.604 9.642 -4.573 480 2HB ASN 94 2HB ASN 94 10.379 9.802 -5.114 481 1HD2 ASN 94 1HD2 ASN 94 10.373 6.276 -5.160 482 2HD2 ASN 94 2HD2 ASN 94 10.251 6.063 -6.875 483 H THR 95 H THR 95 11.152 6.467 -3.495 484 HA THR 95 HA THR 95 12.390 6.122 -1.136 485 HB THR 95 HB THR 95 11.869 8.169 -0.116 486 HG1 THR 95 1HG THR 95 10.861 6.470 1.140 487 1HG2 THR 95 1HG2 THR 95 9.138 8.720 -0.462 488 2HG2 THR 95 2HG2 THR 95 10.470 9.556 -1.295 489 3HG2 THR 95 3HG2 THR 95 9.655 8.180 -2.078 490 H THR 96 H THR 96 9.296 6.169 -2.888 491 HA THR 96 HA THR 96 7.844 4.353 -1.456 492 HB THR 96 HB THR 96 6.796 3.864 -3.693 493 HG1 THR 96 1HG THR 96 7.965 4.820 -5.522 494 1HG2 THR 96 1HG2 THR 96 6.727 6.287 -2.462 495 2HG2 THR 96 2HG2 THR 96 7.594 6.757 -3.944 496 3HG2 THR 96 3HG2 THR 96 5.977 6.021 -4.054 497 H ARG 97 H ARG 97 10.596 3.715 -3.668 498 HA ARG 97 HA ARG 97 11.836 1.967 -3.940 499 2HB ARG 97 2HB ARG 97 11.671 0.094 -2.065 500 2HG ARG 97 2HG ARG 97 12.466 2.991 -1.526 501 2HD ARG 97 2HD ARG 97 13.969 1.093 0.037 502 HE ARG 97 HE ARG 97 12.551 3.578 0.455 503 1HH1 ARG 97 2HH2 ARG 97 13.833 0.790 2.178 504 2HH1 ARG 97 1HH2 ARG 97 14.042 1.648 3.669 505 1HH2 ARG 97 2HH1 ARG 97 12.826 4.709 2.421 506 2HH2 ARG 97 1HH1 ARG 97 13.465 3.892 3.809 507 H ASN 98 H ASN 98 11.726 -0.640 -4.166 508 HA ASN 98 HA ASN 98 10.045 -1.285 -6.078 509 2HB ASN 98 2HB ASN 98 11.717 -2.894 -5.456 510 1HD2 ASN 98 1HD2 ASN 98 9.294 -3.671 -3.005 511 2HD2 ASN 98 2HD2 ASN 98 10.349 -3.686 -1.632 512 H ALA 99 H ALA 99 7.897 -2.246 -6.263 513 HA ALA 99 HA ALA 99 6.307 -3.212 -4.308 514 1HB ALA 99 1HB ALA 99 5.034 -0.667 -4.305 515 2HB ALA 99 2HB ALA 99 5.777 -1.519 -2.930 516 3HB ALA 99 3HB ALA 99 6.745 -0.385 -3.904 517 H TYR 100 H TYR 100 4.881 -4.283 -5.572 518 HA TYR 100 HA TYR 100 3.697 -2.800 -7.807 519 2HB TYR 100 2HB TYR 100 5.422 -4.214 -8.796 520 HD1 TYR 100 1HD TYR 100 3.409 -7.011 -7.399 521 HD2 TYR 100 2HD TYR 100 7.229 -5.088 -7.513 522 HE1 TYR 100 1HE TYR 100 4.448 -8.987 -6.182 523 HE2 TYR 100 2HE TYR 100 8.255 -7.070 -6.296 524 HH TYR 100 HH TYR 100 7.487 -9.703 -6.180 525 H ARG 101 H ARG 101 1.537 -3.349 -8.293 526 HA ARG 101 HA ARG 101 0.400 -5.382 -6.561 527 2HB ARG 101 2HB ARG 101 -1.655 -3.508 -6.797 528 2HG ARG 101 2HG ARG 101 0.363 -3.356 -4.533 529 2HD ARG 101 2HD ARG 101 -2.464 -2.674 -4.975 530 HE ARG 101 HE ARG 101 -2.175 -4.957 -3.388 531 1HH1 ARG 101 2HH2 ARG 101 -3.262 -1.651 -2.857 532 2HH1 ARG 101 1HH2 ARG 101 -4.349 -2.080 -1.578 533 1HH2 ARG 101 2HH1 ARG 101 -3.610 -5.521 -1.701 534 2HH2 ARG 101 1HH1 ARG 101 -4.549 -4.295 -0.916 535 H GLU 102 H GLU 102 -0.908 -6.809 -7.694 536 HA GLU 102 HA GLU 102 -1.335 -6.197 -10.470 537 2HB GLU 102 2HB GLU 102 -0.469 -8.406 -9.949 538 2HG GLU 102 2HG GLU 102 -2.814 -9.576 -8.685 539 H CYS 103 H CYS 103 -3.381 -6.014 -11.488 540 HA CYS 103 HA CYS 103 -5.557 -5.556 -9.594 541 2HB CYS 103 2HB CYS 103 -6.486 -4.515 -11.901 542 H LEU 104 H LEU 104 -6.905 -7.314 -9.414 543 HA LEU 104 HA LEU 104 -6.893 -9.414 -11.275 544 2HB LEU 104 2HB LEU 104 -9.270 -9.531 -9.783 545 HG LEU 104 HG LEU 104 -7.806 -10.980 -8.196 546 1HD1 LEU 104 1HD1 LEU 104 -7.780 -12.834 -9.909 547 2HD1 LEU 104 2HD1 LEU 104 -9.342 -12.008 -9.685 548 3HD1 LEU 104 3HD1 LEU 104 -8.332 -11.633 -11.102 549 1HD2 LEU 104 1HD2 LEU 104 -5.856 -11.477 -10.280 550 2HD2 LEU 104 2HD2 LEU 104 -5.755 -9.801 -9.690 551 3HD2 LEU 104 3HD2 LEU 104 -5.620 -11.157 -8.545 552 H GLU 105 H GLU 105 -8.907 -10.206 -12.453 553 HA GLU 105 HA GLU 105 -9.767 -8.069 -14.107 554 2HB GLU 105 2HB GLU 105 -11.031 -10.777 -14.330 555 2HG GLU 105 2HG GLU 105 -9.450 -9.405 -16.491 556 H ASN 106 H ASN 106 -10.709 -8.916 -11.072 557 HA ASN 106 HA ASN 106 -13.542 -8.763 -11.582 558 2HB ASN 106 2HB ASN 106 -12.427 -8.734 -8.782 559 1HD2 ASN 106 1HD2 ASN 106 -13.768 -11.536 -10.289 560 2HD2 ASN 106 2HD2 ASN 106 -15.383 -11.424 -9.670 561 H GLY 107 H GLY 107 -10.940 -6.659 -11.300 562 1HA GLY 107 1HA GLY 107 -10.949 -4.386 -11.170 563 2HA GLY 107 2HA GLY 107 -12.631 -4.405 -10.679 564 H THR 108 H THR 108 -9.801 -6.126 -9.209 565 HA THR 108 HA THR 108 -10.112 -4.422 -6.837 566 HB THR 108 HB THR 108 -9.941 -6.526 -5.457 567 HG1 THR 108 1HG THR 108 -8.891 -7.763 -7.199 568 1HG2 THR 108 1HG2 THR 108 -12.172 -7.466 -5.947 569 2HG2 THR 108 2HG2 THR 108 -12.247 -5.694 -6.096 570 3HG2 THR 108 3HG2 THR 108 -12.165 -6.707 -7.557 571 H TRP 109 H TRP 109 -8.205 -4.615 -5.329 572 HA TRP 109 HA TRP 109 -5.824 -4.508 -6.976 573 2HB TRP 109 2HB TRP 109 -4.941 -3.857 -4.540 574 HD1 TRP 109 HD TRP 109 -7.110 -0.994 -4.734 575 HE1 TRP 109 1HE TRP 109 -6.293 0.928 -6.348 576 HE3 TRP 109 3HE TRP 109 -3.729 -3.832 -7.257 577 HZ2 TRP 109 2HZ TRP 109 -4.367 1.042 -8.451 578 HZ3 TRP 109 3HZ TRP 109 -2.421 -2.738 -9.076 579 HH2 TRP 109 HH TRP 109 -2.697 -0.388 -9.686 580 H ALA 110 H ALA 110 -3.815 -5.322 -5.273 581 HA ALA 110 HA ALA 110 -4.316 -8.185 -5.173 582 1HB ALA 110 1HB ALA 110 -2.275 -6.883 -6.240 583 2HB ALA 110 2HB ALA 110 -1.672 -6.874 -4.567 584 3HB ALA 110 3HB ALA 110 -2.011 -8.419 -5.382 585 H SER 111 H SER 111 -2.339 -8.812 -3.172 586 HA SER 111 HA SER 111 -3.983 -8.560 -0.915 587 2HB SER 111 2HB SER 111 -2.529 -10.523 -1.323 588 HG SER 111 HG SER 111 -0.665 -9.249 -2.144 589 H ARG 112 H ARG 112 -0.726 -7.213 -1.806 590 HA ARG 112 HA ARG 112 -1.253 -4.758 -0.692 591 2HB ARG 112 2HB ARG 112 0.831 -5.558 1.125 592 2HG ARG 112 2HG ARG 112 -1.867 -4.344 1.188 593 2HD ARG 112 2HD ARG 112 -2.294 -6.252 2.731 594 HE ARG 112 HE ARG 112 -0.061 -5.335 4.480 595 1HH1 ARG 112 2HH2 ARG 112 -1.483 -7.843 2.464 596 2HH1 ARG 112 1HH2 ARG 112 -0.434 -9.090 3.050 597 1HH2 ARG 112 2HH1 ARG 112 1.325 -6.980 5.255 598 2HH2 ARG 112 1HH1 ARG 112 1.175 -8.595 4.649 599 H VAL 113 H VAL 113 0.116 -3.440 -1.859 600 HA VAL 113 HA VAL 113 2.046 -4.371 -3.547 601 HB VAL 113 HB VAL 113 0.853 -2.027 -3.126 602 1HG1 VAL 113 1HG1 VAL 113 2.093 -0.391 -2.084 603 2HG1 VAL 113 2HG1 VAL 113 2.512 -1.798 -1.078 604 3HG1 VAL 113 3HG1 VAL 113 3.637 -1.240 -2.340 605 1HG2 VAL 113 1HG2 VAL 113 3.127 -1.202 -4.495 606 2HG2 VAL 113 2HG2 VAL 113 3.091 -2.963 -4.759 607 3HG2 VAL 113 3HG2 VAL 113 1.684 -1.966 -5.205 608 H ASN 114 H ASN 114 4.489 -3.398 -3.346 609 HA ASN 114 HA ASN 114 6.360 -3.228 -2.150 610 2HB ASN 114 2HB ASN 114 5.260 -4.779 0.214 611 1HD2 ASN 114 1HD2 ASN 114 5.756 -2.080 1.560 612 2HD2 ASN 114 2HD2 ASN 114 7.471 -2.005 1.795 613 H TYR 115 H TYR 115 6.961 -5.562 -0.135 614 HA TYR 115 HA TYR 115 8.138 -7.463 -0.447 615 2HB TYR 115 2HB TYR 115 5.635 -7.945 0.057 616 HD1 TYR 115 1HD TYR 115 4.171 -6.478 -1.429 617 HD2 TYR 115 2HD TYR 115 5.816 -10.199 -2.752 618 HE1 TYR 115 1HE TYR 115 2.454 -6.580 -3.301 619 HE2 TYR 115 2HE TYR 115 4.095 -10.289 -4.619 620 HH TYR 115 HH TYR 115 2.157 -9.436 -5.320 621 H SER 116 H SER 116 9.719 -7.031 -2.047 622 HA SER 116 HA SER 116 8.931 -7.987 -4.688 623 2HB SER 116 2HB SER 116 9.401 -5.517 -4.614 624 HG SER 116 HG SER 116 11.088 -5.465 -3.039 625 H HIS 117 H HIS 117 12.003 -7.179 -2.899 626 HA HIS 117 HA HIS 117 13.699 -8.465 -2.294 627 2HB HIS 117 2HB HIS 117 13.609 -10.834 -2.238 628 HD1 HIS 117 1HD HIS 117 12.817 -10.283 0.189 629 HD2 HIS 117 2HD HIS 117 9.730 -10.437 -2.647 630 HE1 HIS 117 1HE HIS 117 10.635 -10.339 1.510 631 H CYS 118 H CYS 118 12.847 -7.390 -5.163 632 HA CYS 118 HA CYS 118 14.209 -8.895 -7.043 633 2HB CYS 118 2HB CYS 118 12.880 -6.372 -6.913 634 H GLU 119 H GLU 119 15.248 -6.002 -5.092 635 HA GLU 119 HA GLU 119 17.915 -7.072 -5.092 636 2HB GLU 119 2HB GLU 119 18.514 -4.442 -5.660 637 2HG GLU 119 2HG GLU 119 18.186 -6.779 -7.600 638 HA PRO 120 HA PRO 120 16.913 -5.274 -1.143 639 2HB PRO 120 2HB PRO 120 16.642 -7.291 -0.068 640 2HG PRO 120 2HG PRO 120 17.372 -9.125 -1.262 641 2HD PRO 120 2HD PRO 120 17.230 -8.301 -3.403 642 H ILE 121 H ILE 121 17.916 -3.301 -1.507 643 HA ILE 121 HA ILE 121 19.707 -1.939 -1.671 644 HB ILE 121 HB ILE 121 18.874 -2.258 0.772 645 2HG1 ILE 121 2HG1 ILE 121 21.524 -0.900 0.199 646 1HG2 ILE 121 1HG2 ILE 121 20.185 -3.296 2.305 647 2HG2 ILE 121 2HG2 ILE 121 20.614 -4.283 0.888 648 3HG2 ILE 121 3HG2 ILE 121 21.691 -2.967 1.414 649 1HD1 ILE 121 1HD1 ILE 121 19.775 1.085 -0.003 650 2HD1 ILE 121 2HD1 ILE 121 20.107 0.044 -1.408 651 3HD1 ILE 121 3HD1 ILE 121 18.647 -0.226 -0.427 652 H LEU 122 H LEU 122 20.365 -3.997 -3.284 653 HA LEU 122 HA LEU 122 22.689 -5.383 -2.475 654 2HB LEU 122 2HB LEU 122 22.332 -4.974 -5.347 655 HG LEU 122 HG LEU 122 22.793 -7.206 -3.498 656 1HD1 LEU 122 1HD1 LEU 122 21.452 -8.827 -4.318 657 2HD1 LEU 122 2HD1 LEU 122 20.380 -7.449 -4.667 658 3HD1 LEU 122 3HD1 LEU 122 21.408 -8.125 -5.953 659 1HD2 LEU 122 1HD2 LEU 122 24.506 -7.513 -4.877 660 2HD2 LEU 122 2HD2 LEU 122 23.422 -7.696 -6.275 661 3HD2 LEU 122 3HD2 LEU 122 23.971 -6.076 -5.781 662 H ASP 123 H ASP 123 24.886 -4.980 -2.900 663 HA ASP 123 HA ASP 123 26.029 -3.246 -4.494 664 2HB ASP 123 2HB ASP 123 24.790 -1.778 -2.176 665 H ASP 124 H ASP 124 28.034 -4.247 -4.224 666 HA ASP 124 HA ASP 124 29.878 -4.937 -3.315 667 2HB ASP 124 2HB ASP 124 29.987 -4.058 -0.647 668 H LYS 125 H LYS 125 29.553 -7.181 -3.054 669 HA LYS 125 HA LYS 125 28.938 -8.096 -0.404 670 2HB LYS 125 2HB LYS 125 27.213 -9.533 -2.267 671 2HG LYS 125 2HG LYS 125 26.672 -7.984 0.310 672 2HD LYS 125 2HD LYS 125 24.890 -9.224 -1.523 673 2HE LYS 125 2HE LYS 125 24.679 -10.784 1.034 674 1HZ LYS 125 1HZ LYS 125 23.624 -10.802 -1.557 675 2HZ LYS 125 2HZ LYS 125 24.297 -12.258 -1.243 676 3HZ LYS 125 3HZ LYS 125 23.144 -11.660 -0.252 677 H GLN 126 H GLN 126 28.463 -10.843 -1.215 678 HA GLN 126 HA GLN 126 29.870 -12.554 -1.328 679 2HB GLN 126 2HB GLN 126 30.726 -12.255 -4.052 680 2HG GLN 126 2HG GLN 126 29.934 -14.377 -3.237 681 1HE2 GLN 126 1HE2 GLN 126 28.968 -15.361 -1.644 682 2HE2 GLN 126 2HE2 GLN 126 27.522 -14.872 -0.823 683 H ARG 127 H ARG 127 31.623 -12.036 0.076 684 HA ARG 127 HA ARG 127 33.998 -11.250 -1.398 685 2HB ARG 127 2HB ARG 127 33.468 -9.259 -0.158 686 2HG ARG 127 2HG ARG 127 32.407 -11.205 1.794 687 2HD ARG 127 2HD ARG 127 34.572 -9.508 2.676 688 HE ARG 127 HE ARG 127 32.182 -8.109 2.997 689 1HH1 ARG 127 2HH2 ARG 127 34.529 -9.557 5.183 690 2HH1 ARG 127 1HH2 ARG 127 34.228 -8.426 6.460 691 1HH2 ARG 127 2HH1 ARG 127 31.785 -6.616 4.680 692 2HH2 ARG 127 1HH1 ARG 127 32.657 -6.742 6.172 693 H LYS 128 H LYS 128 35.591 -12.797 -1.174 694 HA LYS 128 HA LYS 128 35.827 -14.188 1.355 695 2HB LYS 128 2HB LYS 128 34.198 -15.520 0.020 696 2HG LYS 128 2HG LYS 128 36.098 -15.026 -2.078 697 2HD LYS 128 2HD LYS 128 37.038 -17.267 -1.018 698 2HE LYS 128 2HE LYS 128 35.830 -19.192 -2.358 699 1HZ LYS 128 1HZ LYS 128 34.883 -19.754 -0.416 700 2HZ LYS 128 2HZ LYS 128 35.785 -18.522 0.163 701 3HZ LYS 128 3HZ LYS 128 34.199 -18.294 -0.153 702 H TYR 129 H TYR 129 37.745 -16.072 0.615 703 HA TYR 129 HA TYR 129 39.922 -16.266 0.252 704 2HB TYR 129 2HB TYR 129 39.478 -14.026 -1.811 705 HD1 TYR 129 1HD TYR 129 40.701 -17.542 -2.098 706 HD2 TYR 129 2HD TYR 129 41.694 -13.386 -2.306 707 HE1 TYR 129 1HE TYR 129 42.994 -18.129 -3.027 708 HE2 TYR 129 2HE TYR 129 43.983 -13.987 -3.233 709 HH TYR 129 HH TYR 129 45.426 -16.607 -2.911 710 H ASP 130 H ASP 130 42.007 -15.335 0.738 711 HA ASP 130 HA ASP 130 42.675 -12.775 0.916 712 2HB ASP 130 2HB ASP 130 41.056 -12.002 2.406 713 H LEU 131 H LEU 131 44.528 -12.440 2.663 714 HA LEU 131 HA LEU 131 46.008 -14.904 2.771 715 2HB LEU 131 2HB LEU 131 46.836 -12.542 2.147 716 HG LEU 131 HG LEU 131 46.141 -11.805 4.679 717 1HD1 LEU 131 1HD1 LEU 131 47.918 -13.408 5.534 718 2HD1 LEU 131 2HD1 LEU 131 49.119 -12.278 4.863 719 3HD1 LEU 131 3HD1 LEU 131 47.996 -11.733 6.132 720 1HD2 LEU 131 1HD2 LEU 131 48.403 -10.714 2.983 721 2HD2 LEU 131 2HD2 LEU 131 46.680 -10.278 2.882 722 3HD2 LEU 131 3HD2 LEU 131 47.622 -9.856 4.333 723 H HIS 132 H HIS 132 46.694 -16.004 4.644 724 HA HIS 132 HA HIS 132 46.278 -15.080 7.220 725 2HB HIS 132 2HB HIS 132 44.320 -17.147 7.241 726 HD1 HIS 132 1HD HIS 132 45.178 -15.577 9.564 727 HD2 HIS 132 2HD HIS 132 42.202 -14.138 6.982 728 HE1 HIS 132 1HE HIS 132 43.854 -13.848 10.892 729 HE2 HIS 132 2HE HIS 132 42.076 -12.959 9.237 730 H TYR 133 H TYR 133 46.841 -16.756 8.841 731 HA TYR 133 HA TYR 133 48.387 -18.889 7.551 732 2HB TYR 133 2HB TYR 133 48.461 -17.851 10.440 733 HD1 TYR 133 1HD TYR 133 51.424 -17.631 8.394 734 HD2 TYR 133 2HD TYR 133 49.173 -20.250 10.921 735 HE1 TYR 133 1HE TYR 133 53.464 -19.123 8.678 736 HE2 TYR 133 2HE TYR 133 51.221 -21.732 11.196 737 HH TYR 133 HH TYR 133 53.841 -21.226 11.038 Start of MODEL 15 1 1H GLY 15 H GLY 15 -14.476 67.458 13.337 2 1HA GLY 15 1HA GLY 15 -15.181 65.393 15.307 3 2HA GLY 15 2HA GLY 15 -16.231 66.089 14.088 4 H SER 16 H SER 16 -15.049 63.226 14.837 5 HA SER 16 HA SER 16 -15.162 62.294 12.196 6 2HB SER 16 2HB SER 16 -12.726 63.243 12.509 7 HG SER 16 HG SER 16 -11.643 62.275 14.079 8 H GLY 17 H GLY 17 -16.275 60.401 12.487 9 1HA GLY 17 1HA GLY 17 -15.782 58.106 13.472 10 2HA GLY 17 2HA GLY 17 -15.848 58.937 15.014 11 H MET 18 H MET 18 -17.959 60.835 14.414 12 HA MET 18 HA MET 18 -20.120 60.976 14.632 13 2HB MET 18 2HB MET 18 -21.439 59.395 12.934 14 2HG MET 18 2HG MET 18 -20.665 60.782 11.001 15 1HE MET 18 1HE MET 18 -22.956 62.877 11.106 16 2HE MET 18 2HE MET 18 -22.791 61.112 11.272 17 3HE MET 18 3HE MET 18 -23.680 62.041 12.501 18 H LYS 19 H LYS 19 -20.503 57.536 13.716 19 HA LYS 19 HA LYS 19 -21.368 57.024 16.477 20 2HB LYS 19 2HB LYS 19 -22.761 55.191 15.339 21 2HG LYS 19 2HG LYS 19 -23.594 57.965 14.457 22 2HD LYS 19 2HD LYS 19 -24.984 55.609 15.815 23 2HE LYS 19 2HE LYS 19 -25.651 58.394 15.924 24 1HZ LYS 19 1HZ LYS 19 -27.803 57.014 14.581 25 2HZ LYS 19 2HZ LYS 19 -27.431 58.605 14.591 26 3HZ LYS 19 3HZ LYS 19 -26.594 57.577 13.637 27 H GLU 20 H GLU 20 -20.117 55.289 13.532 28 HA GLU 20 HA GLU 20 -17.818 54.419 14.703 29 2HB GLU 20 2HB GLU 20 -19.095 51.866 14.750 30 2HG GLU 20 2HG GLU 20 -18.688 52.609 17.407 31 H THR 21 H THR 21 -16.925 52.355 13.450 32 HA THR 21 HA THR 21 -17.889 52.623 10.682 33 HB THR 21 HB THR 21 -15.517 53.364 11.308 34 HG1 THR 21 1HG THR 21 -14.899 52.446 9.321 35 1HG2 THR 21 1HG2 THR 21 -14.153 51.926 12.439 36 2HG2 THR 21 2HG2 THR 21 -15.478 50.740 12.523 37 3HG2 THR 21 3HG2 THR 21 -14.358 50.727 11.140 38 H ALA 22 H ALA 22 -17.587 50.629 9.298 39 HA ALA 22 HA ALA 22 -18.029 48.203 10.878 40 1HB ALA 22 1HB ALA 22 -19.664 48.309 8.459 41 2HB ALA 22 2HB ALA 22 -20.140 47.946 10.135 42 3HB ALA 22 3HB ALA 22 -20.061 49.635 9.579 43 H ALA 23 H ALA 23 -16.621 46.649 10.249 44 HA ALA 23 HA ALA 23 -16.153 45.994 7.584 45 1HB ALA 23 1HB ALA 23 -13.628 47.175 8.656 46 2HB ALA 23 2HB ALA 23 -14.222 47.071 6.981 47 3HB ALA 23 3HB ALA 23 -14.865 48.317 8.076 48 H ALA 24 H ALA 24 -15.564 43.873 7.637 49 HA ALA 24 HA ALA 24 -13.857 42.971 9.809 50 1HB ALA 24 1HB ALA 24 -16.519 41.629 9.217 51 2HB ALA 24 2HB ALA 24 -15.377 41.254 10.529 52 3HB ALA 24 3HB ALA 24 -16.280 42.788 10.547 53 H LYS 25 H LYS 25 -12.857 40.878 9.333 54 HA LYS 25 HA LYS 25 -12.986 40.280 6.459 55 2HB LYS 25 2HB LYS 25 -10.866 41.320 7.138 56 2HG LYS 25 2HG LYS 25 -10.131 38.851 8.694 57 2HD LYS 25 2HD LYS 25 -9.017 41.457 8.109 58 2HE LYS 25 2HE LYS 25 -10.060 41.127 10.852 59 1HZ LYS 25 1HZ LYS 25 -8.004 42.008 11.808 60 2HZ LYS 25 2HZ LYS 25 -7.842 40.463 11.307 61 3HZ LYS 25 3HZ LYS 25 -7.207 41.679 10.421 62 H PHE 26 H PHE 26 -13.246 38.143 5.816 63 HA PHE 26 HA PHE 26 -13.873 36.319 8.018 64 2HB PHE 26 2HB PHE 26 -15.037 35.120 5.996 65 HD1 PHE 26 1HD PHE 26 -15.965 36.162 8.515 66 HD2 PHE 26 2HD PHE 26 -16.551 37.722 4.613 67 HE1 PHE 26 1HE PHE 26 -18.072 37.289 9.282 68 HE2 PHE 26 2HE PHE 26 -18.658 38.850 5.380 69 HZ PHE 26 HZ PHE 26 -19.393 38.620 7.706 70 H GLU 27 H GLU 27 -13.600 33.868 7.183 71 HA GLU 27 HA GLU 27 -12.228 32.256 6.709 72 2HB GLU 27 2HB GLU 27 -10.582 32.596 4.753 73 2HG GLU 27 2HG GLU 27 -12.863 33.415 3.330 74 H ARG 28 H ARG 28 -9.829 31.524 6.805 75 HA ARG 28 HA ARG 28 -8.451 33.389 8.564 76 2HB ARG 28 2HB ARG 28 -7.502 30.620 8.750 77 2HG ARG 28 2HG ARG 28 -8.960 31.547 11.075 78 2HD ARG 28 2HD ARG 28 -5.953 31.726 10.687 79 HE ARG 28 HE ARG 28 -7.127 30.479 13.056 80 1HH1 ARG 28 2HH2 ARG 28 -6.237 33.546 11.578 81 2HH1 ARG 28 1HH2 ARG 28 -6.097 34.380 13.089 82 1HH2 ARG 28 2HH1 ARG 28 -6.942 31.579 15.051 83 2HH2 ARG 28 1HH1 ARG 28 -6.501 33.254 15.078 84 H GLN 29 H GLN 29 -6.340 33.985 8.015 85 HA GLN 29 HA GLN 29 -5.414 33.000 5.480 86 2HB GLN 29 2HB GLN 29 -3.702 34.929 6.934 87 2HG GLN 29 2HG GLN 29 -5.050 34.697 4.224 88 1HE2 GLN 29 1HE2 GLN 29 -6.165 36.551 3.966 89 2HE2 GLN 29 2HE2 GLN 29 -5.475 38.140 3.993 90 H HIS 30 H HIS 30 -3.584 33.800 8.514 91 HA HIS 30 HA HIS 30 -2.141 32.627 9.698 92 2HB HIS 30 2HB HIS 30 -2.752 30.168 8.047 93 HD1 HIS 30 1HD HIS 30 -3.395 29.435 11.426 94 HD2 HIS 30 2HD HIS 30 0.140 30.027 9.247 95 HE1 HIS 30 1HE HIS 30 -1.532 28.322 12.769 96 H MET 31 H MET 31 0.120 32.310 9.582 97 HA MET 31 HA MET 31 1.218 33.084 7.081 98 2HB MET 31 2HB MET 31 3.409 32.830 8.455 99 2HG MET 31 2HG MET 31 1.142 34.497 9.651 100 1HE MET 31 1HE MET 31 3.797 37.298 10.360 101 2HE MET 31 2HE MET 31 2.172 36.912 9.747 102 3HE MET 31 3HE MET 31 2.486 36.910 11.498 103 H ASP 32 H ASP 32 0.433 31.131 5.854 104 HA ASP 32 HA ASP 32 0.824 29.265 4.822 105 2HB ASP 32 2HB ASP 32 3.551 29.373 6.194 106 H SER 33 H SER 33 0.635 26.925 5.198 107 HA SER 33 HA SER 33 1.113 26.026 7.891 108 2HB SER 33 2HB SER 33 -1.401 24.920 7.385 109 HG SER 33 HG SER 33 -0.287 26.312 9.290 110 HA PRO 34 HA PRO 34 2.040 22.404 5.667 111 2HB PRO 34 2HB PRO 34 3.281 21.550 7.408 112 2HG PRO 34 2HG PRO 34 2.745 22.405 9.483 113 2HD PRO 34 2HD PRO 34 1.829 24.422 8.868 114 H ASP 35 H ASP 35 1.211 19.760 5.954 115 HA ASP 35 HA ASP 35 -0.302 18.527 4.963 116 2HB ASP 35 2HB ASP 35 -2.229 18.184 6.281 117 H LEU 36 H LEU 36 -3.209 19.033 4.622 118 HA LEU 36 HA LEU 36 -3.866 21.432 3.490 119 2HB LEU 36 2HB LEU 36 -3.512 19.986 1.047 120 HG LEU 36 HG LEU 36 -2.912 22.666 2.093 121 1HD1 LEU 36 1HD1 LEU 36 -1.270 23.100 0.182 122 2HD1 LEU 36 2HD1 LEU 36 -0.649 22.267 1.627 123 3HD1 LEU 36 3HD1 LEU 36 -1.020 21.338 0.156 124 1HD2 LEU 36 1HD2 LEU 36 -4.473 21.472 0.072 125 2HD2 LEU 36 2HD2 LEU 36 -4.343 23.199 0.485 126 3HD2 LEU 36 3HD2 LEU 36 -3.277 22.497 -0.756 127 H GLY 37 H GLY 37 -5.572 20.403 4.887 128 1HA GLY 37 1HA GLY 37 -7.859 19.837 3.822 129 2HA GLY 37 2HA GLY 37 -7.082 18.301 3.493 130 H THR 38 H THR 38 -5.648 17.596 5.659 131 HA THR 38 HA THR 38 -6.057 16.461 7.566 132 HB THR 38 HB THR 38 -6.168 18.069 9.480 133 HG1 THR 38 1HG THR 38 -7.068 20.076 9.039 134 1HG2 THR 38 1HG2 THR 38 -4.389 18.449 7.144 135 2HG2 THR 38 2HG2 THR 38 -4.623 19.947 8.078 136 3HG2 THR 38 3HG2 THR 38 -3.990 18.488 8.879 137 H THR 39 H THR 39 -8.074 15.647 6.184 138 HA THR 39 HA THR 39 -10.118 15.256 8.059 139 HB THR 39 HB THR 39 -10.739 17.593 7.577 140 HG1 THR 39 1HG THR 39 -12.309 15.683 5.995 141 1HG2 THR 39 1HG2 THR 39 -10.913 18.502 5.446 142 2HG2 THR 39 2HG2 THR 39 -9.704 17.253 5.058 143 3HG2 THR 39 3HG2 THR 39 -11.429 16.957 4.727 144 H LEU 40 H LEU 40 -8.498 13.533 6.670 145 HA LEU 40 HA LEU 40 -10.347 11.818 5.540 146 2HB LEU 40 2HB LEU 40 -10.665 13.064 3.638 147 HG LEU 40 HG LEU 40 -8.159 14.281 4.146 148 1HD1 LEU 40 1HD1 LEU 40 -7.315 14.258 1.709 149 2HD1 LEU 40 2HD1 LEU 40 -6.913 12.881 2.763 150 3HD1 LEU 40 3HD1 LEU 40 -8.220 12.732 1.563 151 1HD2 LEU 40 1HD2 LEU 40 -10.558 14.716 2.491 152 2HD2 LEU 40 2HD2 LEU 40 -9.657 15.837 3.540 153 3HD2 LEU 40 3HD2 LEU 40 -9.079 15.504 1.890 154 H LEU 41 H LEU 41 -9.105 9.948 4.319 155 HA LEU 41 HA LEU 41 -6.390 9.779 5.406 156 2HB LEU 41 2HB LEU 41 -7.705 8.632 7.001 157 HG LEU 41 HG LEU 41 -9.658 8.153 5.281 158 1HD1 LEU 41 1HD1 LEU 41 -9.028 6.638 3.745 159 2HD1 LEU 41 2HD1 LEU 41 -7.718 5.989 4.760 160 3HD1 LEU 41 3HD1 LEU 41 -9.397 5.461 5.028 161 1HD2 LEU 41 1HD2 LEU 41 -9.234 5.975 7.289 162 2HD2 LEU 41 2HD2 LEU 41 -9.352 7.660 7.848 163 3HD2 LEU 41 3HD2 LEU 41 -10.689 6.933 6.925 164 H GLU 42 H GLU 42 -8.082 10.139 2.708 165 HA GLU 42 HA GLU 42 -6.511 8.123 1.300 166 2HB GLU 42 2HB GLU 42 -8.981 7.701 1.203 167 2HG GLU 42 2HG GLU 42 -9.744 9.635 -0.740 168 H GLN 43 H GLN 43 -6.225 11.148 2.168 169 HA GLN 43 HA GLN 43 -5.514 13.034 1.333 170 2HB GLN 43 2HB GLN 43 -4.155 11.094 -0.583 171 2HG GLN 43 2HG GLN 43 -4.184 13.438 -1.503 172 1HE2 GLN 43 1HE2 GLN 43 -5.332 14.736 0.089 173 2HE2 GLN 43 2HE2 GLN 43 -4.454 15.826 1.109 174 H TYR 44 H TYR 44 -5.390 11.615 -1.950 175 HA TYR 44 HA TYR 44 -7.926 12.475 -2.793 176 2HB TYR 44 2HB TYR 44 -5.889 14.206 -4.103 177 HD1 TYR 44 1HD TYR 44 -7.343 16.251 -1.733 178 HD2 TYR 44 2HD TYR 44 -8.410 13.961 -5.186 179 HE1 TYR 44 1HE TYR 44 -9.383 17.727 -2.090 180 HE2 TYR 44 2HE TYR 44 -10.446 15.444 -5.531 181 HH TYR 44 HH TYR 44 -11.734 17.288 -3.270 182 H CYS 45 H CYS 45 -4.505 12.561 -4.042 183 HA CYS 45 HA CYS 45 -3.652 11.742 -5.909 184 2HB CYS 45 2HB CYS 45 -4.458 9.177 -6.178 185 H HIS 46 H HIS 46 -5.077 13.319 -7.148 186 HA HIS 46 HA HIS 46 -7.225 11.933 -8.565 187 2HB HIS 46 2HB HIS 46 -6.804 14.882 -8.793 188 HD1 HIS 46 1HD HIS 46 -9.482 15.884 -8.264 189 HD2 HIS 46 2HD HIS 46 -8.938 12.060 -9.900 190 HE1 HIS 46 1HE HIS 46 -11.684 15.271 -9.397 191 H ARG 47 H ARG 47 -6.745 11.138 -10.543 192 HA ARG 47 HA ARG 47 -4.605 12.507 -11.968 193 2HB ARG 47 2HB ARG 47 -4.004 10.181 -11.307 194 2HG ARG 47 2HG ARG 47 -6.624 9.581 -12.701 195 2HD ARG 47 2HD ARG 47 -5.540 7.090 -12.389 196 HE ARG 47 HE ARG 47 -6.287 8.646 -14.592 197 1HH1 ARG 47 2HH2 ARG 47 -3.830 6.211 -13.947 198 2HH1 ARG 47 1HH2 ARG 47 -3.781 5.644 -15.584 199 1HH2 ARG 47 2HH1 ARG 47 -6.223 7.898 -16.751 200 2HH2 ARG 47 1HH1 ARG 47 -5.150 6.609 -17.188 201 H THR 48 H THR 48 -7.926 12.012 -11.815 202 HA THR 48 HA THR 48 -9.605 12.400 -13.222 203 HB THR 48 HB THR 48 -7.524 14.072 -14.072 204 HG1 THR 48 1HG THR 48 -9.410 15.112 -15.043 205 1HG2 THR 48 1HG2 THR 48 -7.153 12.468 -16.036 206 2HG2 THR 48 2HG2 THR 48 -8.840 12.777 -16.513 207 3HG2 THR 48 3HG2 THR 48 -7.657 14.107 -16.512 208 H THR 49 H THR 49 -10.838 10.911 -14.183 209 HA THR 49 HA THR 49 -9.761 9.353 -16.359 210 HB THR 49 HB THR 49 -8.947 8.157 -14.293 211 HG1 THR 49 1HG THR 49 -9.636 7.010 -16.261 212 1HG2 THR 49 1HG2 THR 49 -11.819 8.493 -13.560 213 2HG2 THR 49 2HG2 THR 49 -11.202 6.835 -13.372 214 3HG2 THR 49 3HG2 THR 49 -10.416 8.180 -12.511 215 H ILE 50 H ILE 50 -11.346 8.496 -17.700 216 HA ILE 50 HA ILE 50 -13.324 8.524 -18.691 217 HB ILE 50 HB ILE 50 -14.087 7.806 -15.872 218 2HG1 ILE 50 2HG1 ILE 50 -12.736 6.400 -17.812 219 1HG2 ILE 50 1HG2 ILE 50 -16.185 6.886 -17.290 220 2HG2 ILE 50 2HG2 ILE 50 -16.177 8.448 -16.435 221 3HG2 ILE 50 3HG2 ILE 50 -15.847 8.388 -18.183 222 1HD1 ILE 50 1HD1 ILE 50 -14.454 4.713 -16.103 223 2HD1 ILE 50 2HD1 ILE 50 -12.680 4.840 -16.153 224 3HD1 ILE 50 3HD1 ILE 50 -13.630 6.010 -15.206 225 H GLY 51 H GLY 51 -13.662 10.541 -19.541 226 1HA GLY 51 1HA GLY 51 -14.077 12.874 -18.062 227 2HA GLY 51 2HA GLY 51 -14.490 12.619 -19.745 228 H ASN 52 H ASN 52 -15.648 12.154 -16.366 229 HA ASN 52 HA ASN 52 -18.233 12.933 -17.121 230 2HB ASN 52 2HB ASN 52 -17.934 10.025 -16.207 231 1HD2 ASN 52 1HD2 ASN 52 -20.117 11.617 -18.457 232 2HD2 ASN 52 2HD2 ASN 52 -21.581 11.418 -17.552 233 H PHE 53 H PHE 53 -16.069 13.599 -15.216 234 HA PHE 53 HA PHE 53 -15.590 13.766 -13.036 235 2HB PHE 53 2HB PHE 53 -18.561 14.146 -12.567 236 HD1 PHE 53 1HD PHE 53 -16.230 14.087 -10.654 237 HD2 PHE 53 2HD PHE 53 -17.967 17.268 -12.861 238 HE1 PHE 53 1HE PHE 53 -15.436 15.722 -8.923 239 HE2 PHE 53 2HE PHE 53 -17.174 18.902 -11.130 240 HZ PHE 53 HZ PHE 53 -15.918 18.110 -9.181 241 H SER 54 H SER 54 -15.732 11.059 -13.488 242 HA SER 54 HA SER 54 -16.220 10.078 -10.981 243 2HB SER 54 2HB SER 54 -18.280 8.684 -12.552 244 HG SER 54 HG SER 54 -18.381 8.332 -10.375 245 H GLY 55 H GLY 55 -16.468 7.423 -11.218 246 1HA GLY 55 1HA GLY 55 -14.845 6.614 -13.549 247 2HA GLY 55 2HA GLY 55 -14.388 6.166 -11.918 248 HA PRO 56 HA PRO 56 -18.364 3.840 -13.139 249 2HB PRO 56 2HB PRO 56 -19.691 4.811 -14.749 250 2HG PRO 56 2HG PRO 56 -18.635 6.409 -16.033 251 2HD PRO 56 2HD PRO 56 -16.957 7.045 -14.595 252 H TYR 57 H TYR 57 -18.813 1.857 -15.049 253 HA TYR 57 HA TYR 57 -18.086 -0.190 -15.501 254 2HB TYR 57 2HB TYR 57 -15.594 1.560 -15.910 255 HD1 TYR 57 1HD TYR 57 -13.556 0.461 -15.735 256 HD2 TYR 57 2HD TYR 57 -16.901 -1.639 -17.383 257 HE1 TYR 57 1HE TYR 57 -12.066 -1.537 -16.235 258 HE2 TYR 57 2HE TYR 57 -15.398 -3.629 -17.877 259 HH TYR 57 HH TYR 57 -12.976 -3.994 -18.297 260 H THR 58 H THR 58 -16.426 -1.981 -14.927 261 HA THR 58 HA THR 58 -16.041 -1.850 -12.070 262 HB THR 58 HB THR 58 -15.344 -4.086 -14.037 263 HG1 THR 58 1HG THR 58 -17.566 -4.461 -14.040 264 1HG2 THR 58 1HG2 THR 58 -16.363 -4.113 -11.148 265 2HG2 THR 58 2HG2 THR 58 -15.930 -5.536 -12.126 266 3HG2 THR 58 3HG2 THR 58 -14.668 -4.391 -11.613 267 H TYR 59 H TYR 59 -14.505 0.110 -12.574 268 HA TYR 59 HA TYR 59 -11.833 -0.879 -13.216 269 2HB TYR 59 2HB TYR 59 -12.597 1.969 -12.459 270 HD1 TYR 59 1HD TYR 59 -10.441 2.898 -12.402 271 HD2 TYR 59 2HD TYR 59 -11.548 0.380 -15.679 272 HE1 TYR 59 1HE TYR 59 -8.276 3.487 -13.595 273 HE2 TYR 59 2HE TYR 59 -9.378 0.977 -16.862 274 HH TYR 59 HH TYR 59 -7.786 3.069 -16.751 275 H CYS 60 H CYS 60 -9.998 0.073 -11.835 276 HA CYS 60 HA CYS 60 -10.544 -0.649 -9.136 277 2HB CYS 60 2HB CYS 60 -8.174 -0.304 -8.768 278 H ASN 61 H ASN 61 -9.886 0.855 -7.281 279 HA ASN 61 HA ASN 61 -10.602 3.587 -8.009 280 2HB ASN 61 2HB ASN 61 -11.022 2.175 -5.323 281 1HD2 ASN 61 1HD2 ASN 61 -13.037 4.404 -7.127 282 2HD2 ASN 61 2HD2 ASN 61 -12.941 5.753 -6.044 283 H THR 62 H THR 62 -9.696 5.215 -6.235 284 HA THR 62 HA THR 62 -6.900 4.494 -5.784 285 HB THR 62 HB THR 62 -7.527 6.590 -7.042 286 HG1 THR 62 1HG THR 62 -6.068 7.840 -5.673 287 1HG2 THR 62 1HG2 THR 62 -8.828 7.234 -4.355 288 2HG2 THR 62 2HG2 THR 62 -8.268 8.512 -5.459 289 3HG2 THR 62 3HG2 THR 62 -9.543 7.384 -5.977 290 H THR 63 H THR 63 -5.956 4.255 -3.819 291 HA THR 63 HA THR 63 -7.329 5.153 -1.451 292 HB THR 63 HB THR 63 -8.180 2.733 -2.364 293 HG1 THR 63 1HG THR 63 -9.007 3.588 -0.433 294 1HG2 THR 63 1HG2 THR 63 -5.778 1.806 -2.150 295 2HG2 THR 63 2HG2 THR 63 -5.936 2.072 -0.397 296 3HG2 THR 63 3HG2 THR 63 -7.022 0.931 -1.224 297 H LEU 64 H LEU 64 -6.008 4.491 0.562 298 HA LEU 64 HA LEU 64 -3.235 3.969 -0.027 299 2HB LEU 64 2HB LEU 64 -4.098 6.608 -0.032 300 HG LEU 64 HG LEU 64 -4.036 6.297 2.586 301 1HD1 LEU 64 1HD1 LEU 64 -2.097 5.751 3.507 302 2HD1 LEU 64 2HD1 LEU 64 -1.360 5.625 1.891 303 3HD1 LEU 64 3HD1 LEU 64 -1.327 7.175 2.766 304 1HD2 LEU 64 1HD2 LEU 64 -3.322 8.490 0.789 305 2HD2 LEU 64 2HD2 LEU 64 -4.396 8.466 2.207 306 3HD2 LEU 64 3HD2 LEU 64 -2.640 8.673 2.423 307 H ASP 65 H ASP 65 -1.970 3.658 2.011 308 HA ASP 65 HA ASP 65 -3.293 3.658 4.462 309 2HB ASP 65 2HB ASP 65 -2.679 0.822 3.844 310 H GLN 66 H GLN 66 -1.830 1.493 5.715 311 HA GLN 66 HA GLN 66 0.507 2.534 6.322 312 2HB GLN 66 2HB GLN 66 0.841 -0.364 6.014 313 2HG GLN 66 2HG GLN 66 1.715 1.395 7.804 314 1HE2 GLN 66 1HE2 GLN 66 -0.151 -0.635 9.769 315 2HE2 GLN 66 2HE2 GLN 66 -1.210 0.535 10.482 316 H ILE 67 H ILE 67 -0.045 0.303 3.519 317 HA ILE 67 HA ILE 67 2.401 1.403 2.344 318 HB ILE 67 HB ILE 67 3.188 -0.701 1.675 319 2HG1 ILE 67 2HG1 ILE 67 1.978 -2.822 2.120 320 1HG2 ILE 67 1HG2 ILE 67 3.922 -0.336 3.856 321 2HG2 ILE 67 2HG2 ILE 67 2.311 -0.628 4.556 322 3HG2 ILE 67 3HG2 ILE 67 3.259 -1.987 3.907 323 1HD1 ILE 67 1HD1 ILE 67 0.446 -1.531 3.892 324 2HD1 ILE 67 2HD1 ILE 67 -0.560 -1.231 2.455 325 3HD1 ILE 67 3HD1 ILE 67 -0.196 -2.901 2.954 326 H GLY 68 H GLY 68 -0.334 2.261 2.004 327 1HA GLY 68 1HA GLY 68 -1.392 1.033 -0.371 328 2HA GLY 68 2HA GLY 68 -1.967 2.475 0.441 329 H THR 69 H THR 69 1.069 3.407 0.355 330 HA THR 69 HA THR 69 2.006 5.056 -0.874 331 HB THR 69 HB THR 69 3.145 2.981 -1.588 332 HG1 THR 69 1HG THR 69 3.648 3.855 -3.793 333 1HG2 THR 69 1HG2 THR 69 1.315 1.630 -2.495 334 2HG2 THR 69 2HG2 THR 69 0.903 2.899 -3.671 335 3HG2 THR 69 3HG2 THR 69 2.427 1.994 -3.836 336 H CYS 70 H CYS 70 -0.966 5.089 -0.919 337 HA CYS 70 HA CYS 70 -2.641 5.977 -2.051 338 2HB CYS 70 2HB CYS 70 -0.627 7.853 -3.277 339 H TRP 71 H TRP 71 -3.006 4.059 -3.400 340 HA TRP 71 HA TRP 71 -1.686 3.893 -5.941 341 2HB TRP 71 2HB TRP 71 -3.150 1.960 -6.289 342 HD1 TRP 71 HD TRP 71 -3.078 1.253 -2.621 343 HE1 TRP 71 1HE TRP 71 -0.939 -0.100 -1.874 344 HE3 TRP 71 3HE TRP 71 -0.509 1.896 -6.962 345 HZ2 TRP 71 2HZ TRP 71 1.531 -0.736 -3.153 346 HZ3 TRP 71 3HZ TRP 71 1.760 0.876 -7.130 347 HH2 TRP 71 HH TRP 71 2.784 -0.403 -5.316 348 HA PRO 72 HA PRO 72 -4.640 6.668 -7.661 349 2HB PRO 72 2HB PRO 72 -3.015 7.971 -8.642 350 2HG PRO 72 2HG PRO 72 -0.927 6.995 -8.742 351 2HD PRO 72 2HD PRO 72 -1.095 5.496 -7.006 352 H GLN 73 H GLN 73 -5.907 4.518 -7.407 353 HA GLN 73 HA GLN 73 -7.065 2.897 -8.341 354 2HB GLN 73 2HB GLN 73 -8.198 5.194 -8.921 355 2HG GLN 73 2HG GLN 73 -8.274 4.431 -11.744 356 1HE2 GLN 73 1HE2 GLN 73 -6.960 6.700 -9.341 357 2HE2 GLN 73 2HE2 GLN 73 -7.669 8.144 -9.986 358 H SER 74 H SER 74 -7.818 2.290 -11.038 359 HA SER 74 HA SER 74 -5.911 2.316 -12.919 360 2HB SER 74 2HB SER 74 -4.176 1.095 -12.127 361 HG SER 74 HG SER 74 -4.273 -0.063 -10.136 362 H ALA 75 H ALA 75 -6.057 0.005 -14.298 363 HA ALA 75 HA ALA 75 -8.938 -0.481 -14.427 364 1HB ALA 75 1HB ALA 75 -6.933 -1.361 -16.502 365 2HB ALA 75 2HB ALA 75 -8.631 -0.869 -16.706 366 3HB ALA 75 3HB ALA 75 -7.383 0.358 -16.385 367 HA PRO 76 HA PRO 76 -8.453 -4.601 -13.208 368 2HB PRO 76 2HB PRO 76 -10.723 -4.987 -13.238 369 2HG PRO 76 2HG PRO 76 -11.915 -3.609 -14.652 370 2HD PRO 76 2HD PRO 76 -10.489 -1.808 -14.764 371 H GLY 77 H GLY 77 -7.356 -6.534 -13.484 372 1HA GLY 77 1HA GLY 77 -6.038 -7.996 -14.574 373 2HA GLY 77 2HA GLY 77 -6.840 -7.556 -16.068 374 H ALA 78 H ALA 78 -5.472 -4.901 -14.235 375 HA ALA 78 HA ALA 78 -3.528 -4.501 -16.340 376 1HB ALA 78 1HB ALA 78 -3.909 -2.719 -13.933 377 2HB ALA 78 2HB ALA 78 -3.474 -2.283 -15.603 378 3HB ALA 78 3HB ALA 78 -5.143 -2.763 -15.214 379 H LEU 79 H LEU 79 -1.661 -3.010 -14.590 380 HA LEU 79 HA LEU 79 -0.692 -4.809 -12.623 381 2HB LEU 79 2HB LEU 79 1.506 -4.747 -14.382 382 HG LEU 79 HG LEU 79 0.208 -6.665 -12.805 383 1HD1 LEU 79 1HD1 LEU 79 0.434 -8.563 -14.704 384 2HD1 LEU 79 2HD1 LEU 79 -1.102 -7.771 -14.274 385 3HD1 LEU 79 3HD1 LEU 79 -0.179 -7.216 -15.691 386 1HD2 LEU 79 1HD2 LEU 79 2.675 -6.723 -14.544 387 2HD2 LEU 79 2HD2 LEU 79 2.554 -6.481 -12.784 388 3HD2 LEU 79 3HD2 LEU 79 2.213 -8.080 -13.489 389 H VAL 80 H VAL 80 -0.098 -3.361 -11.107 390 HA VAL 80 HA VAL 80 1.193 -0.904 -12.068 391 HB VAL 80 HB VAL 80 -0.596 -1.510 -9.723 392 1HG1 VAL 80 1HG1 VAL 80 0.709 -0.166 -8.473 393 2HG1 VAL 80 2HG1 VAL 80 1.585 0.466 -9.887 394 3HG1 VAL 80 3HG1 VAL 80 0.005 1.153 -9.440 395 1HG2 VAL 80 1HG2 VAL 80 -1.656 0.671 -10.672 396 2HG2 VAL 80 2HG2 VAL 80 -0.701 0.303 -12.128 397 3HG2 VAL 80 3HG2 VAL 80 -1.908 -0.864 -11.538 398 H GLU 81 H GLU 81 3.035 -2.697 -12.173 399 HA GLU 81 HA GLU 81 4.190 -2.967 -9.523 400 2HB GLU 81 2HB GLU 81 5.842 -4.480 -10.938 401 2HG GLU 81 2HG GLU 81 2.959 -5.420 -10.655 402 H ARG 82 H ARG 82 6.307 -2.186 -9.038 403 HA ARG 82 HA ARG 82 7.840 -0.972 -11.068 404 2HB ARG 82 2HB ARG 82 6.548 0.987 -10.926 405 2HG ARG 82 2HG ARG 82 5.963 1.774 -8.402 406 2HD ARG 82 2HD ARG 82 3.979 -0.220 -9.034 407 HE ARG 82 HE ARG 82 3.321 2.354 -10.031 408 1HH1 ARG 82 2HH2 ARG 82 4.423 0.904 -7.021 409 2HH1 ARG 82 1HH2 ARG 82 3.680 2.106 -6.020 410 1HH2 ARG 82 2HH1 ARG 82 2.339 3.941 -8.711 411 2HH2 ARG 82 1HH1 ARG 82 2.487 3.846 -6.988 412 HA PRO 83 HA PRO 83 9.843 -2.307 -7.143 413 2HB PRO 83 2HB PRO 83 9.586 -4.594 -7.238 414 2HG PRO 83 2HG PRO 83 8.746 -5.387 -9.234 415 2HD PRO 83 2HD PRO 83 7.646 -3.513 -9.987 416 H CYS 84 H CYS 84 11.618 -1.262 -6.497 417 HA CYS 84 HA CYS 84 13.444 -0.054 -6.737 418 2HB CYS 84 2HB CYS 84 15.223 -1.316 -8.293 419 HA PRO 85 HA PRO 85 12.360 1.948 -10.574 420 2HB PRO 85 2HB PRO 85 11.137 3.624 -9.576 421 2HG PRO 85 2HG PRO 85 11.390 3.767 -7.287 422 2HD PRO 85 2HD PRO 85 12.038 1.614 -6.812 423 H GLU 86 H GLU 86 14.312 0.840 -11.359 424 HA GLU 86 HA GLU 86 15.951 2.590 -12.574 425 2HB GLU 86 2HB GLU 86 17.887 1.624 -10.623 426 2HG GLU 86 2HG GLU 86 16.976 4.454 -11.329 427 H TYR 87 H TYR 87 18.500 1.141 -12.395 428 HA TYR 87 HA TYR 87 19.495 -0.667 -13.205 429 2HB TYR 87 2HB TYR 87 16.937 -2.227 -12.570 430 HD1 TYR 87 1HD TYR 87 19.865 -2.534 -14.110 431 HD2 TYR 87 2HD TYR 87 18.004 -4.049 -10.567 432 HE1 TYR 87 1HE TYR 87 21.360 -4.588 -14.193 433 HE2 TYR 87 2HE TYR 87 19.506 -6.099 -10.664 434 HH TYR 87 HH TYR 87 20.734 -7.345 -12.446 435 H PHE 88 H PHE 88 17.594 -3.021 -14.205 436 HA PHE 88 HA PHE 88 17.715 -2.229 -16.913 437 2HB PHE 88 2HB PHE 88 17.853 -4.579 -15.765 438 HD1 PHE 88 1HD PHE 88 14.503 -4.708 -17.211 439 HD2 PHE 88 2HD PHE 88 16.746 -4.874 -13.613 440 HE1 PHE 88 1HE PHE 88 12.509 -5.650 -16.011 441 HE2 PHE 88 2HE PHE 88 14.753 -5.817 -12.413 442 HZ PHE 88 HZ PHE 88 12.659 -6.194 -13.626 443 H ASN 89 H ASN 89 14.931 -2.956 -14.684 444 HA ASN 89 HA ASN 89 12.751 -2.721 -15.199 445 2HB ASN 89 2HB ASN 89 12.529 0.061 -15.237 446 1HD2 ASN 89 1HD2 ASN 89 14.379 -0.913 -12.528 447 2HD2 ASN 89 2HD2 ASN 89 13.093 -1.306 -11.438 448 H GLY 90 H GLY 90 13.675 0.403 -16.713 449 1HA GLY 90 1HA GLY 90 13.677 1.083 -18.890 450 2HA GLY 90 2HA GLY 90 13.333 -0.552 -19.417 451 H ILE 91 H ILE 91 11.096 -0.272 -17.065 452 HA ILE 91 HA ILE 91 9.088 0.670 -18.963 453 HB ILE 91 HB ILE 91 8.982 -1.608 -17.896 454 2HG1 ILE 91 2HG1 ILE 91 6.836 0.418 -18.080 455 1HG2 ILE 91 1HG2 ILE 91 9.275 -0.073 -15.513 456 2HG2 ILE 91 2HG2 ILE 91 7.678 -0.857 -15.479 457 3HG2 ILE 91 3HG2 ILE 91 9.146 -1.839 -15.700 458 1HD1 ILE 91 1HD1 ILE 91 7.811 -1.903 -19.478 459 2HD1 ILE 91 2HD1 ILE 91 6.133 -2.220 -18.974 460 3HD1 ILE 91 3HD1 ILE 91 6.510 -0.789 -19.963 461 H LYS 92 H LYS 92 7.390 0.938 -16.295 462 HA LYS 92 HA LYS 92 7.910 3.773 -16.091 463 2HB LYS 92 2HB LYS 92 5.747 2.120 -14.761 464 2HG LYS 92 2HG LYS 92 5.770 5.060 -15.566 465 2HD LYS 92 2HD LYS 92 4.050 3.461 -13.610 466 2HE LYS 92 2HE LYS 92 3.745 6.321 -14.643 467 1HZ LYS 92 1HZ LYS 92 1.950 6.401 -13.221 468 2HZ LYS 92 2HZ LYS 92 1.777 4.934 -13.917 469 3HZ LYS 92 3HZ LYS 92 2.369 5.053 -12.400 470 H TYR 93 H TYR 93 10.170 2.873 -15.186 471 HA TYR 93 HA TYR 93 9.890 2.485 -12.292 472 2HB TYR 93 2HB TYR 93 11.223 0.891 -13.818 473 HD1 TYR 93 1HD TYR 93 11.420 1.807 -16.160 474 HD2 TYR 93 2HD TYR 93 14.058 3.001 -13.010 475 HE1 TYR 93 1HE TYR 93 13.080 2.687 -17.873 476 HE2 TYR 93 2HE TYR 93 15.708 3.876 -14.734 477 HH TYR 93 HH TYR 93 15.195 3.326 -18.162 478 H ASN 94 H ASN 94 9.233 5.037 -12.873 479 HA ASN 94 HA ASN 94 11.705 6.544 -12.694 480 2HB ASN 94 2HB ASN 94 10.462 7.742 -14.240 481 1HD2 ASN 94 1HD2 ASN 94 9.423 5.840 -15.150 482 2HD2 ASN 94 2HD2 ASN 94 7.701 5.673 -15.068 483 H THR 95 H THR 95 8.499 7.625 -11.510 484 HA THR 95 HA THR 95 9.465 7.379 -8.740 485 HB THR 95 HB THR 95 8.148 9.653 -8.507 486 HG1 THR 95 1HG THR 95 8.027 10.714 -10.592 487 1HG2 THR 95 1HG2 THR 95 10.113 10.974 -9.458 488 2HG2 THR 95 2HG2 THR 95 10.594 9.694 -8.318 489 3HG2 THR 95 3HG2 THR 95 10.772 9.439 -10.071 490 H THR 96 H THR 96 8.302 5.520 -8.272 491 HA THR 96 HA THR 96 5.514 5.994 -7.765 492 HB THR 96 HB THR 96 4.817 3.978 -9.154 493 HG1 THR 96 1HG THR 96 6.479 3.226 -10.619 494 1HG2 THR 96 1HG2 THR 96 4.803 5.091 -11.297 495 2HG2 THR 96 2HG2 THR 96 4.733 6.398 -10.091 496 3HG2 THR 96 3HG2 THR 96 6.271 6.017 -10.901 497 H ARG 97 H ARG 97 8.141 5.409 -6.386 498 HA ARG 97 HA ARG 97 8.767 4.306 -4.636 499 2HB ARG 97 2HB ARG 97 6.276 2.634 -4.381 500 2HG ARG 97 2HG ARG 97 8.339 3.813 -2.669 501 2HD ARG 97 2HD ARG 97 5.410 4.380 -2.033 502 HE ARG 97 HE ARG 97 7.167 3.368 -0.155 503 1HH1 ARG 97 2HH2 ARG 97 5.703 6.529 -0.644 504 2HH1 ARG 97 1HH2 ARG 97 5.710 6.935 1.041 505 1HH2 ARG 97 2HH1 ARG 97 7.178 3.903 2.068 506 2HH2 ARG 97 1HH1 ARG 97 6.555 5.430 2.593 507 H ASN 98 H ASN 98 8.967 1.835 -3.717 508 HA ASN 98 HA ASN 98 9.413 0.228 -6.105 509 2HB ASN 98 2HB ASN 98 11.542 0.184 -5.225 510 1HD2 ASN 98 1HD2 ASN 98 12.575 1.800 -4.357 511 2HD2 ASN 98 2HD2 ASN 98 12.338 2.483 -2.783 512 H ALA 99 H ALA 99 7.904 -1.435 -6.283 513 HA ALA 99 HA ALA 99 7.461 -3.326 -4.335 514 1HB ALA 99 1HB ALA 99 5.728 -2.638 -3.043 515 2HB ALA 99 2HB ALA 99 6.226 -0.999 -3.533 516 3HB ALA 99 3HB ALA 99 4.912 -1.828 -4.403 517 H TYR 100 H TYR 100 4.773 -4.064 -4.912 518 HA TYR 100 HA TYR 100 4.445 -3.934 -7.774 519 2HB TYR 100 2HB TYR 100 5.957 -6.002 -6.435 520 HD1 TYR 100 1HD TYR 100 5.089 -7.629 -4.981 521 HD2 TYR 100 2HD TYR 100 3.107 -6.873 -8.696 522 HE1 TYR 100 1HE TYR 100 3.567 -9.627 -4.584 523 HE2 TYR 100 2HE TYR 100 1.592 -8.873 -8.287 524 HH TYR 100 HH TYR 100 1.977 -11.147 -6.804 525 H ARG 101 H ARG 101 2.293 -3.806 -8.166 526 HA ARG 101 HA ARG 101 0.544 -5.398 -6.543 527 2HB ARG 101 2HB ARG 101 -0.925 -3.081 -6.510 528 2HG ARG 101 2HG ARG 101 0.436 -2.752 -4.172 529 2HD ARG 101 2HD ARG 101 -0.996 -4.894 -3.424 530 HE ARG 101 HE ARG 101 -1.868 -2.177 -4.173 531 1HH1 ARG 101 2HH2 ARG 101 -2.742 -5.223 -2.641 532 2HH1 ARG 101 1HH2 ARG 101 -4.039 -4.534 -1.721 533 1HH2 ARG 101 2HH1 ARG 101 -3.579 -1.269 -2.959 534 2HH2 ARG 101 1HH1 ARG 101 -4.518 -2.271 -1.903 535 H GLU 102 H GLU 102 -0.925 -6.341 -7.931 536 HA GLU 102 HA GLU 102 -1.313 -4.987 -10.480 537 2HB GLU 102 2HB GLU 102 -0.315 -7.228 -10.663 538 2HG GLU 102 2HG GLU 102 -2.594 -8.853 -9.965 539 H CYS 103 H CYS 103 -3.554 -5.311 -11.494 540 HA CYS 103 HA CYS 103 -5.547 -5.155 -9.353 541 2HB CYS 103 2HB CYS 103 -6.498 -4.029 -11.808 542 H LEU 104 H LEU 104 -6.766 -7.011 -9.278 543 HA LEU 104 HA LEU 104 -6.693 -8.993 -11.191 544 2HB LEU 104 2HB LEU 104 -8.948 -9.624 -10.021 545 HG LEU 104 HG LEU 104 -6.233 -9.562 -8.736 546 1HD1 LEU 104 1HD1 LEU 104 -8.506 -10.933 -7.340 547 2HD1 LEU 104 2HD1 LEU 104 -6.928 -10.407 -6.708 548 3HD1 LEU 104 3HD1 LEU 104 -8.196 -9.205 -7.047 549 1HD2 LEU 104 1HD2 LEU 104 -7.412 -11.259 -10.539 550 2HD2 LEU 104 2HD2 LEU 104 -6.042 -11.663 -9.477 551 3HD2 LEU 104 3HD2 LEU 104 -7.700 -12.092 -8.992 552 H GLU 105 H GLU 105 -8.869 -9.835 -12.288 553 HA GLU 105 HA GLU 105 -9.495 -7.795 -14.161 554 2HB GLU 105 2HB GLU 105 -11.042 -10.342 -14.219 555 2HG GLU 105 2HG GLU 105 -9.236 -8.859 -16.188 556 H ASN 106 H ASN 106 -10.565 -8.266 -11.086 557 HA ASN 106 HA ASN 106 -13.358 -7.862 -11.705 558 2HB ASN 106 2HB ASN 106 -12.279 -7.832 -8.879 559 1HD2 ASN 106 1HD2 ASN 106 -14.111 -10.363 -10.416 560 2HD2 ASN 106 2HD2 ASN 106 -15.667 -9.986 -9.756 561 H GLY 107 H GLY 107 -10.561 -6.042 -11.485 562 1HA GLY 107 1HA GLY 107 -10.314 -3.781 -11.465 563 2HA GLY 107 2HA GLY 107 -11.997 -3.587 -11.017 564 H THR 108 H THR 108 -10.005 -5.843 -9.160 565 HA THR 108 HA THR 108 -9.990 -3.889 -6.955 566 HB THR 108 HB THR 108 -10.061 -5.983 -5.521 567 HG1 THR 108 1HG THR 108 -9.175 -7.438 -7.117 568 1HG2 THR 108 1HG2 THR 108 -12.349 -6.761 -7.041 569 2HG2 THR 108 2HG2 THR 108 -12.327 -5.693 -5.616 570 3HG2 THR 108 3HG2 THR 108 -12.203 -4.999 -7.251 571 H TRP 109 H TRP 109 -8.210 -4.490 -5.260 572 HA TRP 109 HA TRP 109 -5.737 -4.511 -6.789 573 2HB TRP 109 2HB TRP 109 -4.857 -3.977 -4.382 574 HD1 TRP 109 HD TRP 109 -7.197 -1.140 -4.526 575 HE1 TRP 109 1HE TRP 109 -6.314 0.901 -5.948 576 HE3 TRP 109 3HE TRP 109 -3.431 -3.683 -6.809 577 HZ2 TRP 109 2HZ TRP 109 -4.188 1.216 -7.824 578 HZ3 TRP 109 3HZ TRP 109 -1.998 -2.434 -8.422 579 HH2 TRP 109 HH TRP 109 -2.327 -0.069 -8.942 580 H ALA 110 H ALA 110 -3.930 -5.577 -4.981 581 HA ALA 110 HA ALA 110 -4.779 -8.372 -4.954 582 1HB ALA 110 1HB ALA 110 -1.972 -7.658 -4.320 583 2HB ALA 110 2HB ALA 110 -2.618 -8.868 -5.454 584 3HB ALA 110 3HB ALA 110 -2.525 -7.157 -5.936 585 H SER 111 H SER 111 -3.096 -9.425 -3.013 586 HA SER 111 HA SER 111 -4.552 -9.028 -0.741 587 2HB SER 111 2HB SER 111 -1.698 -9.835 -0.374 588 HG SER 111 HG SER 111 -3.715 -11.706 0.052 589 H ARG 112 H ARG 112 -1.157 -7.879 -1.408 590 HA ARG 112 HA ARG 112 -1.623 -5.344 -0.455 591 2HB ARG 112 2HB ARG 112 0.181 -6.454 1.598 592 2HG ARG 112 2HG ARG 112 -2.484 -4.991 1.872 593 2HD ARG 112 2HD ARG 112 -0.066 -4.750 3.685 594 HE ARG 112 HE ARG 112 -2.803 -3.811 3.737 595 1HH1 ARG 112 2HH2 ARG 112 -0.214 -4.957 5.826 596 2HH1 ARG 112 1HH2 ARG 112 -0.792 -4.111 7.222 597 1HH2 ARG 112 2HH1 ARG 112 -3.567 -2.693 5.577 598 2HH2 ARG 112 1HH1 ARG 112 -2.713 -2.814 7.080 599 H VAL 113 H VAL 113 0.047 -4.095 -1.293 600 HA VAL 113 HA VAL 113 1.954 -5.040 -2.920 601 HB VAL 113 HB VAL 113 1.190 -2.632 -2.195 602 1HG1 VAL 113 1HG1 VAL 113 2.514 -1.455 -0.716 603 2HG1 VAL 113 2HG1 VAL 113 2.493 -3.058 0.056 604 3HG1 VAL 113 3HG1 VAL 113 3.901 -2.553 -0.908 605 1HG2 VAL 113 1HG2 VAL 113 3.263 -1.714 -3.319 606 2HG2 VAL 113 2HG2 VAL 113 3.906 -3.374 -3.319 607 3HG2 VAL 113 3HG2 VAL 113 2.413 -2.997 -4.212 608 H ASN 114 H ASN 114 4.356 -5.226 -2.710 609 HA ASN 114 HA ASN 114 5.456 -5.580 -0.156 610 2HB ASN 114 2HB ASN 114 4.736 -8.066 -1.782 611 1HD2 ASN 114 1HD2 ASN 114 6.622 -6.783 0.946 612 2HD2 ASN 114 2HD2 ASN 114 7.819 -8.033 0.998 613 H TYR 115 H TYR 115 7.825 -6.059 -0.364 614 HA TYR 115 HA TYR 115 8.757 -5.652 -3.124 615 2HB TYR 115 2HB TYR 115 10.451 -4.302 -2.103 616 HD1 TYR 115 1HD TYR 115 7.480 -3.686 -2.326 617 HD2 TYR 115 2HD TYR 115 10.185 -3.492 0.983 618 HE1 TYR 115 1HE TYR 115 6.039 -1.892 -1.245 619 HE2 TYR 115 2HE TYR 115 8.735 -1.699 2.054 620 HH TYR 115 HH TYR 115 6.167 -1.115 1.870 621 H SER 116 H SER 116 8.694 -7.973 -3.572 622 HA SER 116 HA SER 116 10.843 -9.356 -2.162 623 2HB SER 116 2HB SER 116 9.468 -11.445 -3.126 624 HG SER 116 HG SER 116 8.669 -9.885 -0.818 625 H HIS 117 H HIS 117 10.127 -7.723 -4.932 626 HA HIS 117 HA HIS 117 12.060 -9.269 -6.428 627 2HB HIS 117 2HB HIS 117 10.383 -10.314 -7.526 628 HD1 HIS 117 1HD HIS 117 7.894 -10.832 -7.801 629 HD2 HIS 117 2HD HIS 117 8.629 -7.007 -6.241 630 HE1 HIS 117 1HE HIS 117 5.635 -9.924 -7.036 631 H CYS 118 H CYS 118 12.806 -7.044 -5.212 632 HA CYS 118 HA CYS 118 12.135 -4.622 -6.327 633 2HB CYS 118 2HB CYS 118 14.962 -5.073 -5.505 634 H GLU 119 H GLU 119 15.035 -6.714 -7.056 635 HA GLU 119 HA GLU 119 14.983 -5.538 -9.727 636 2HB GLU 119 2HB GLU 119 17.009 -4.774 -8.815 637 2HG GLU 119 2HG GLU 119 16.916 -7.362 -7.297 638 HA PRO 120 HA PRO 120 14.220 -9.962 -10.207 639 2HB PRO 120 2HB PRO 120 11.920 -9.887 -10.251 640 2HG PRO 120 2HG PRO 120 11.027 -7.763 -10.373 641 2HD PRO 120 2HD PRO 120 12.758 -6.542 -9.479 642 H ILE 121 H ILE 121 13.444 -10.949 -12.717 643 HA ILE 121 HA ILE 121 15.763 -11.281 -13.977 644 HB ILE 121 HB ILE 121 13.160 -10.832 -15.436 645 2HG1 ILE 121 2HG1 ILE 121 13.942 -12.894 -13.463 646 1HG2 ILE 121 1HG2 ILE 121 14.849 -11.141 -17.028 647 2HG2 ILE 121 2HG2 ILE 121 15.682 -12.371 -16.046 648 3HG2 ILE 121 3HG2 ILE 121 14.127 -12.755 -16.824 649 1HD1 ILE 121 1HD1 ILE 121 11.178 -12.642 -14.543 650 2HD1 ILE 121 2HD1 ILE 121 11.742 -12.683 -12.855 651 3HD1 ILE 121 3HD1 ILE 121 11.833 -11.169 -13.787 652 H LEU 122 H LEU 122 16.843 -10.338 -15.861 653 HA LEU 122 HA LEU 122 16.800 -7.450 -15.665 654 2HB LEU 122 2HB LEU 122 18.731 -8.051 -17.479 655 HG LEU 122 HG LEU 122 18.713 -7.230 -14.789 656 1HD1 LEU 122 1HD1 LEU 122 20.951 -8.520 -14.178 657 2HD1 LEU 122 2HD1 LEU 122 19.346 -9.150 -13.735 658 3HD1 LEU 122 3HD1 LEU 122 20.193 -9.794 -15.162 659 1HD2 LEU 122 1HD2 LEU 122 19.869 -6.209 -16.756 660 2HD2 LEU 122 2HD2 LEU 122 20.870 -6.319 -15.288 661 3HD2 LEU 122 3HD2 LEU 122 21.113 -7.476 -16.619 662 H ASP 123 H ASP 123 17.570 -6.662 -18.221 663 HA ASP 123 HA ASP 123 15.181 -7.394 -19.724 664 2HB ASP 123 2HB ASP 123 16.714 -4.785 -19.449 665 H ASP 124 H ASP 124 15.480 -7.460 -22.132 666 HA ASP 124 HA ASP 124 16.512 -8.152 -23.910 667 2HB ASP 124 2HB ASP 124 19.106 -7.071 -23.867 668 H LYS 125 H LYS 125 16.857 -10.401 -23.545 669 HA LYS 125 HA LYS 125 18.971 -11.276 -21.827 670 2HB LYS 125 2HB LYS 125 16.825 -12.471 -22.000 671 2HG LYS 125 2HG LYS 125 17.298 -12.211 -24.814 672 2HD LYS 125 2HD LYS 125 18.309 -14.688 -23.989 673 2HE LYS 125 2HE LYS 125 16.209 -15.893 -25.424 674 1HZ LYS 125 1HZ LYS 125 17.482 -16.139 -22.980 675 2HZ LYS 125 2HZ LYS 125 15.879 -16.270 -22.696 676 3HZ LYS 125 3HZ LYS 125 16.601 -17.265 -23.770 677 H GLN 126 H GLN 126 20.702 -12.800 -22.600 678 HA GLN 126 HA GLN 126 22.117 -11.541 -24.654 679 2HB GLN 126 2HB GLN 126 23.602 -13.706 -24.339 680 2HG GLN 126 2HG GLN 126 23.608 -12.530 -21.698 681 1HE2 GLN 126 1HE2 GLN 126 25.396 -14.045 -22.251 682 2HE2 GLN 126 2HE2 GLN 126 26.839 -13.395 -22.953 683 H ARG 127 H ARG 127 23.234 -13.139 -26.422 684 HA ARG 127 HA ARG 127 21.035 -13.930 -28.026 685 2HB ARG 127 2HB ARG 127 23.169 -14.708 -29.506 686 2HG ARG 127 2HG ARG 127 22.305 -11.844 -28.902 687 2HD ARG 127 2HD ARG 127 24.567 -12.779 -30.457 688 HE ARG 127 HE ARG 127 23.539 -12.778 -32.556 689 1HH1 ARG 127 2HH2 ARG 127 22.171 -10.182 -30.616 690 2HH1 ARG 127 1HH2 ARG 127 21.241 -9.524 -31.921 691 1HH2 ARG 127 2HH1 ARG 127 22.312 -11.912 -34.279 692 2HH2 ARG 127 1HH1 ARG 127 21.321 -10.516 -34.019 693 H LYS 128 H LYS 128 20.253 -15.710 -26.570 694 HA LYS 128 HA LYS 128 20.074 -17.821 -25.946 695 2HB LYS 128 2HB LYS 128 21.787 -18.885 -28.123 696 2HG LYS 128 2HG LYS 128 18.958 -19.493 -28.252 697 2HD LYS 128 2HD LYS 128 20.152 -21.736 -27.221 698 2HE LYS 128 2HE LYS 128 20.130 -20.579 -30.029 699 1HZ LYS 128 1HZ LYS 128 20.686 -23.347 -29.837 700 2HZ LYS 128 2HZ LYS 128 21.402 -22.209 -30.764 701 3HZ LYS 128 3HZ LYS 128 21.908 -22.449 -29.229 702 H TYR 129 H TYR 129 21.314 -19.859 -25.206 703 HA TYR 129 HA TYR 129 24.001 -19.038 -24.326 704 2HB TYR 129 2HB TYR 129 22.874 -20.916 -22.506 705 HD1 TYR 129 1HD TYR 129 24.296 -20.200 -20.792 706 HD2 TYR 129 2HD TYR 129 21.828 -17.330 -22.785 707 HE1 TYR 129 1HE TYR 129 25.014 -18.417 -19.128 708 HE2 TYR 129 2HE TYR 129 22.554 -15.557 -21.115 709 HH TYR 129 HH TYR 129 23.403 -15.436 -18.877 710 H ASP 130 H ASP 130 25.383 -20.968 -23.655 711 HA ASP 130 HA ASP 130 24.630 -23.322 -25.181 712 2HB ASP 130 2HB ASP 130 27.407 -22.050 -25.153 713 H LEU 131 H LEU 131 25.666 -25.318 -24.326 714 HA LEU 131 HA LEU 131 27.521 -25.309 -22.251 715 2HB LEU 131 2HB LEU 131 24.641 -25.463 -21.360 716 HG LEU 131 HG LEU 131 26.157 -27.176 -20.223 717 1HD1 LEU 131 1HD1 LEU 131 28.124 -26.574 -19.401 718 2HD1 LEU 131 2HD1 LEU 131 27.864 -24.923 -20.017 719 3HD1 LEU 131 3HD1 LEU 131 27.349 -25.349 -18.367 720 1HD2 LEU 131 1HD2 LEU 131 25.450 -25.766 -17.898 721 2HD2 LEU 131 2HD2 LEU 131 24.260 -25.293 -19.135 722 3HD2 LEU 131 3HD2 LEU 131 24.506 -27.013 -18.749 723 H HIS 132 H HIS 132 28.487 -27.039 -23.247 724 HA HIS 132 HA HIS 132 27.082 -29.534 -23.009 725 2HB HIS 132 2HB HIS 132 28.238 -29.326 -25.690 726 HD1 HIS 132 1HD HIS 132 26.051 -30.084 -27.408 727 HD2 HIS 132 2HD HIS 132 25.997 -31.181 -23.360 728 HE1 HIS 132 1HE HIS 132 24.434 -32.049 -27.221 729 HE2 HIS 132 2HE HIS 132 24.484 -32.714 -24.721 730 H TYR 133 H TYR 133 28.671 -31.385 -23.778 731 HA TYR 133 HA TYR 133 31.432 -30.536 -23.265 732 2HB TYR 133 2HB TYR 133 30.157 -33.098 -22.183 733 HD1 TYR 133 1HD TYR 133 31.782 -34.443 -21.241 734 HD2 TYR 133 2HD TYR 133 32.312 -30.199 -21.125 735 HE1 TYR 133 1HE TYR 133 34.001 -34.745 -20.035 736 HE2 TYR 133 2HE TYR 133 34.528 -30.516 -19.920 737 HH TYR 133 HH TYR 133 36.035 -33.571 -19.693 Start of MODEL 16 1 1H GLY 15 H GLY 15 -37.869 52.357 -21.893 2 1HA GLY 15 1HA GLY 15 -36.446 51.429 -20.157 3 2HA GLY 15 2HA GLY 15 -37.322 49.918 -20.309 4 H SER 16 H SER 16 -35.855 48.458 -21.123 5 HA SER 16 HA SER 16 -34.503 47.485 -22.511 6 2HB SER 16 2HB SER 16 -34.442 48.563 -24.965 7 HG SER 16 HG SER 16 -36.997 47.580 -24.095 8 H GLY 17 H GLY 17 -32.258 47.535 -22.963 9 1HA GLY 17 1HA GLY 17 -30.637 49.427 -23.874 10 2HA GLY 17 2HA GLY 17 -30.926 50.028 -22.254 11 H MET 18 H MET 18 -29.314 49.483 -20.859 12 HA MET 18 HA MET 18 -27.766 48.353 -19.834 13 2HB MET 18 2HB MET 18 -28.059 45.682 -20.053 14 2HG MET 18 2HG MET 18 -29.874 47.695 -18.699 15 1HE MET 18 1HE MET 18 -32.305 47.195 -17.965 16 2HE MET 18 2HE MET 18 -32.060 47.011 -19.719 17 3HE MET 18 3HE MET 18 -33.059 45.836 -18.830 18 H LYS 19 H LYS 19 -25.626 47.634 -20.186 19 HA LYS 19 HA LYS 19 -25.022 46.429 -22.753 20 2HB LYS 19 2HB LYS 19 -23.074 48.305 -22.752 21 2HG LYS 19 2HG LYS 19 -25.437 47.700 -24.253 22 2HD LYS 19 2HD LYS 19 -24.986 50.688 -23.806 23 2HE LYS 19 2HE LYS 19 -25.404 49.921 -26.233 24 1HZ LYS 19 1HZ LYS 19 -26.976 48.357 -26.279 25 2HZ LYS 19 2HZ LYS 19 -27.676 48.811 -24.876 26 3HZ LYS 19 3HZ LYS 19 -28.023 49.610 -26.258 27 H GLU 20 H GLU 20 -22.772 45.570 -22.806 28 HA GLU 20 HA GLU 20 -21.142 45.656 -20.583 29 2HB GLU 20 2HB GLU 20 -22.110 42.885 -20.511 30 2HG GLU 20 2HG GLU 20 -21.643 45.134 -18.513 31 H THR 21 H THR 21 -19.449 43.729 -20.701 32 HA THR 21 HA THR 21 -19.246 42.780 -23.472 33 HB THR 21 HB THR 21 -17.225 44.393 -21.845 34 HG1 THR 21 1HG THR 21 -18.529 44.423 -24.472 35 1HG2 THR 21 1HG2 THR 21 -15.869 44.012 -24.092 36 2HG2 THR 21 2HG2 THR 21 -15.761 42.788 -22.805 37 3HG2 THR 21 3HG2 THR 21 -16.829 42.518 -24.203 38 H ALA 22 H ALA 22 -17.847 40.912 -23.753 39 HA ALA 22 HA ALA 22 -17.542 39.434 -21.228 40 1HB ALA 22 1HB ALA 22 -19.441 38.792 -22.928 41 2HB ALA 22 2HB ALA 22 -18.103 38.095 -23.874 42 3HB ALA 22 3HB ALA 22 -18.424 37.513 -22.222 43 H ALA 23 H ALA 23 -15.872 37.605 -21.467 44 HA ALA 23 HA ALA 23 -13.766 38.402 -23.348 45 1HB ALA 23 1HB ALA 23 -13.035 37.473 -20.589 46 2HB ALA 23 2HB ALA 23 -12.173 38.580 -21.685 47 3HB ALA 23 3HB ALA 23 -13.601 39.149 -20.788 48 H ALA 24 H ALA 24 -11.956 36.532 -23.210 49 HA ALA 24 HA ALA 24 -13.376 33.966 -23.067 50 1HB ALA 24 1HB ALA 24 -13.271 34.674 -25.414 51 2HB ALA 24 2HB ALA 24 -11.518 34.949 -25.272 52 3HB ALA 24 3HB ALA 24 -12.174 33.299 -25.139 53 H LYS 25 H LYS 25 -10.231 33.780 -24.386 54 HA LYS 25 HA LYS 25 -8.297 33.063 -23.604 55 2HB LYS 25 2HB LYS 25 -7.940 33.912 -21.025 56 2HG LYS 25 2HG LYS 25 -7.101 34.629 -23.641 57 2HD LYS 25 2HD LYS 25 -8.363 36.913 -22.124 58 2HE LYS 25 2HE LYS 25 -5.607 36.946 -22.809 59 1HZ LYS 25 1HZ LYS 25 -7.276 38.419 -24.726 60 2HZ LYS 25 2HZ LYS 25 -5.687 38.710 -24.489 61 3HZ LYS 25 3HZ LYS 25 -6.173 37.265 -25.074 62 H PHE 26 H PHE 26 -7.327 31.323 -22.382 63 HA PHE 26 HA PHE 26 -9.337 29.778 -20.901 64 2HB PHE 26 2HB PHE 26 -7.478 27.952 -21.833 65 HD1 PHE 26 1HD PHE 26 -9.482 26.617 -21.650 66 HD2 PHE 26 2HD PHE 26 -9.199 29.690 -24.564 67 HE1 PHE 26 1HE PHE 26 -11.498 25.691 -22.823 68 HE2 PHE 26 2HE PHE 26 -11.215 28.764 -25.736 69 HZ PHE 26 HZ PHE 26 -12.341 26.775 -24.852 70 H GLU 27 H GLU 27 -8.067 27.926 -19.582 71 HA GLU 27 HA GLU 27 -5.648 29.073 -18.477 72 2HB GLU 27 2HB GLU 27 -6.829 28.212 -16.169 73 2HG GLU 27 2HG GLU 27 -7.730 30.800 -16.222 74 H ARG 28 H ARG 28 -4.469 27.358 -19.463 75 HA ARG 28 HA ARG 28 -5.143 24.785 -19.628 76 2HB ARG 28 2HB ARG 28 -2.559 24.367 -19.312 77 2HG ARG 28 2HG ARG 28 -4.076 25.286 -21.454 78 2HD ARG 28 2HD ARG 28 -2.678 27.560 -20.593 79 HE ARG 28 HE ARG 28 -0.567 27.352 -21.554 80 1HH1 ARG 28 2HH2 ARG 28 -2.889 25.675 -23.598 81 2HH1 ARG 28 1HH2 ARG 28 -1.721 25.271 -24.812 82 1HH2 ARG 28 2HH1 ARG 28 0.974 26.819 -23.154 83 2HH2 ARG 28 1HH1 ARG 28 0.491 25.927 -24.558 84 H GLN 29 H GLN 29 -3.968 22.871 -18.329 85 HA GLN 29 HA GLN 29 -4.979 23.049 -15.703 86 2HB GLN 29 2HB GLN 29 -3.162 20.832 -16.688 87 2HG GLN 29 2HG GLN 29 -5.548 21.089 -14.821 88 1HE2 GLN 29 1HE2 GLN 29 -6.337 19.129 -13.899 89 2HE2 GLN 29 2HE2 GLN 29 -6.423 17.669 -14.828 90 H HIS 30 H HIS 30 -1.659 22.762 -17.140 91 HA HIS 30 HA HIS 30 0.320 23.307 -16.367 92 2HB HIS 30 2HB HIS 30 -0.700 24.862 -14.039 93 HD1 HIS 30 1HD HIS 30 0.538 26.546 -17.129 94 HD2 HIS 30 2HD HIS 30 2.130 25.047 -13.550 95 HE1 HIS 30 1HE HIS 30 2.898 27.498 -16.944 96 H MET 31 H MET 31 1.780 23.199 -14.242 97 HA MET 31 HA MET 31 0.788 20.869 -12.792 98 2HB MET 31 2HB MET 31 3.684 21.405 -12.592 99 2HG MET 31 2HG MET 31 2.217 19.102 -13.959 100 1HE MET 31 1HE MET 31 3.997 16.654 -14.178 101 2HE MET 31 2HE MET 31 3.376 17.937 -15.243 102 3HE MET 31 3HE MET 31 5.110 17.533 -15.254 103 H ASP 32 H ASP 32 2.263 20.681 -10.578 104 HA ASP 32 HA ASP 32 1.740 23.218 -9.264 105 2HB ASP 32 2HB ASP 32 0.524 21.485 -8.178 106 H SER 33 H SER 33 3.339 23.601 -7.291 107 HA SER 33 HA SER 33 5.999 23.172 -8.336 108 2HB SER 33 2HB SER 33 6.249 24.781 -6.074 109 HG SER 33 HG SER 33 6.504 26.474 -7.574 110 HA PRO 34 HA PRO 34 6.924 20.296 -5.202 111 2HB PRO 34 2HB PRO 34 8.779 19.538 -6.336 112 2HG PRO 34 2HG PRO 34 9.653 21.031 -7.861 113 2HD PRO 34 2HD PRO 34 7.789 22.306 -8.297 114 H ASP 35 H ASP 35 8.237 19.924 -3.093 115 HA ASP 35 HA ASP 35 8.244 20.530 -0.994 116 2HB ASP 35 2HB ASP 35 10.111 21.781 -0.610 117 H LEU 36 H LEU 36 6.053 20.922 -0.375 118 HA LEU 36 HA LEU 36 5.347 23.494 0.378 119 2HB LEU 36 2HB LEU 36 3.339 23.037 -1.610 120 HG LEU 36 HG LEU 36 5.263 25.243 -0.966 121 1HD1 LEU 36 1HD1 LEU 36 3.641 25.093 -3.521 122 2HD1 LEU 36 2HD1 LEU 36 4.471 26.542 -2.904 123 3HD1 LEU 36 3HD1 LEU 36 5.415 25.112 -3.383 124 1HD2 LEU 36 1HD2 LEU 36 2.277 25.367 -1.402 125 2HD2 LEU 36 2HD2 LEU 36 3.005 24.898 0.153 126 3HD2 LEU 36 3HD2 LEU 36 3.325 26.511 -0.529 127 H GLY 37 H GLY 37 4.231 20.273 -0.778 128 1HA GLY 37 1HA GLY 37 1.843 20.110 0.624 129 2HA GLY 37 2HA GLY 37 2.860 18.762 0.161 130 H THR 38 H THR 38 4.845 18.336 1.610 131 HA THR 38 HA THR 38 5.511 17.646 3.627 132 HB THR 38 HB THR 38 6.197 20.102 3.508 133 HG1 THR 38 1HG THR 38 7.022 19.524 5.479 134 1HG2 THR 38 1HG2 THR 38 4.158 21.354 3.746 135 2HG2 THR 38 2HG2 THR 38 3.603 20.337 5.098 136 3HG2 THR 38 3HG2 THR 38 4.944 21.484 5.337 137 H THR 39 H THR 39 2.563 17.374 2.918 138 HA THR 39 HA THR 39 1.683 16.905 5.687 139 HB THR 39 HB THR 39 -0.176 17.755 3.424 140 HG1 THR 39 1HG THR 39 0.821 19.712 3.670 141 1HG2 THR 39 1HG2 THR 39 -0.628 18.748 6.160 142 2HG2 THR 39 2HG2 THR 39 -1.749 17.878 5.086 143 3HG2 THR 39 3HG2 THR 39 -0.607 16.969 6.104 144 H LEU 40 H LEU 40 -0.893 15.862 4.356 145 HA LEU 40 HA LEU 40 -0.002 13.168 4.258 146 2HB LEU 40 2HB LEU 40 -2.230 12.601 4.241 147 HG LEU 40 HG LEU 40 -2.560 15.427 5.259 148 1HD1 LEU 40 1HD1 LEU 40 -4.489 14.750 6.167 149 2HD1 LEU 40 2HD1 LEU 40 -4.383 13.394 5.017 150 3HD1 LEU 40 3HD1 LEU 40 -3.811 13.190 6.691 151 1HD2 LEU 40 1HD2 LEU 40 -1.203 13.081 6.594 152 2HD2 LEU 40 2HD2 LEU 40 -0.575 14.725 6.330 153 3HD2 LEU 40 3HD2 LEU 40 -1.887 14.452 7.501 154 H LEU 41 H LEU 41 -1.117 15.598 1.832 155 HA LEU 41 HA LEU 41 -0.725 15.735 -0.342 156 2HB LEU 41 2HB LEU 41 1.086 14.682 -1.355 157 HG LEU 41 HG LEU 41 1.554 15.105 1.561 158 1HD1 LEU 41 1HD1 LEU 41 2.822 13.110 1.318 159 2HD1 LEU 41 2HD1 LEU 41 3.480 13.636 -0.249 160 3HD1 LEU 41 3HD1 LEU 41 3.970 14.468 1.246 161 1HD2 LEU 41 1HD2 LEU 41 3.179 16.729 0.742 162 2HD2 LEU 41 2HD2 LEU 41 2.893 16.193 -0.930 163 3HD2 LEU 41 3HD2 LEU 41 1.588 16.983 -0.013 164 H GLU 42 H GLU 42 -2.547 13.592 1.224 165 HA GLU 42 HA GLU 42 -3.407 12.331 -1.264 166 2HB GLU 42 2HB GLU 42 -4.396 10.550 0.389 167 2HG GLU 42 2HG GLU 42 -2.348 10.341 -1.201 168 H GLN 43 H GLN 43 -4.124 14.974 0.052 169 HA GLN 43 HA GLN 43 -6.361 15.053 1.450 170 2HB GLN 43 2HB GLN 43 -6.995 17.085 -0.057 171 2HG GLN 43 2HG GLN 43 -5.072 18.398 0.781 172 1HE2 GLN 43 1HE2 GLN 43 -3.950 17.537 3.243 173 2HE2 GLN 43 2HE2 GLN 43 -5.227 17.313 4.392 174 H TYR 44 H TYR 44 -8.086 13.661 1.317 175 HA TYR 44 HA TYR 44 -9.771 12.486 0.473 176 2HB TYR 44 2HB TYR 44 -11.158 13.806 -1.146 177 HD1 TYR 44 1HD TYR 44 -9.046 16.654 -0.355 178 HD2 TYR 44 2HD TYR 44 -12.163 14.129 1.132 179 HE1 TYR 44 1HE TYR 44 -9.616 18.388 1.415 180 HE2 TYR 44 2HE TYR 44 -12.722 15.871 2.898 181 HH TYR 44 HH TYR 44 -10.651 18.505 3.549 182 H CYS 45 H CYS 45 -8.336 10.731 -0.223 183 HA CYS 45 HA CYS 45 -7.404 10.744 -2.915 184 2HB CYS 45 2HB CYS 45 -7.559 8.162 -1.504 185 H HIS 46 H HIS 46 -9.641 11.282 -3.811 186 HA HIS 46 HA HIS 46 -10.794 8.976 -4.879 187 2HB HIS 46 2HB HIS 46 -12.391 10.305 -2.673 188 HD1 HIS 46 1HD HIS 46 -14.579 8.504 -2.207 189 HD2 HIS 46 2HD HIS 46 -13.154 9.065 -6.113 190 HE1 HIS 46 1HE HIS 46 -16.459 7.769 -3.767 191 H ARG 47 H ARG 47 -11.190 9.708 -6.901 192 HA ARG 47 HA ARG 47 -11.973 12.491 -7.124 193 2HB ARG 47 2HB ARG 47 -9.927 11.548 -8.385 194 2HG ARG 47 2HG ARG 47 -12.075 10.409 -10.226 195 2HD ARG 47 2HD ARG 47 -9.969 9.179 -11.097 196 HE ARG 47 HE ARG 47 -9.619 12.059 -11.628 197 1HH1 ARG 47 2HH2 ARG 47 -11.448 9.142 -12.360 198 2HH1 ARG 47 1HH2 ARG 47 -12.031 9.737 -13.880 199 1HH2 ARG 47 2HH1 ARG 47 -10.390 12.843 -13.632 200 2HH2 ARG 47 1HH1 ARG 47 -11.424 11.855 -14.607 201 H THR 48 H THR 48 -12.837 9.121 -8.032 202 HA THR 48 HA THR 48 -14.770 8.207 -8.652 203 HB THR 48 HB THR 48 -15.498 10.300 -6.960 204 HG1 THR 48 1HG THR 48 -17.520 9.029 -7.044 205 1HG2 THR 48 1HG2 THR 48 -17.312 11.496 -7.906 206 2HG2 THR 48 2HG2 THR 48 -16.134 11.518 -9.240 207 3HG2 THR 48 3HG2 THR 48 -17.480 10.353 -9.259 208 H THR 49 H THR 49 -16.142 7.949 -10.500 209 HA THR 49 HA THR 49 -16.852 8.369 -12.594 210 HB THR 49 HB THR 49 -16.479 10.931 -11.676 211 HG1 THR 49 1HG THR 49 -17.426 11.389 -13.820 212 1HG2 THR 49 1HG2 THR 49 -15.032 11.016 -14.310 213 2HG2 THR 49 2HG2 THR 49 -14.941 12.144 -12.937 214 3HG2 THR 49 3HG2 THR 49 -14.054 10.602 -12.882 215 H ILE 50 H ILE 50 -15.708 8.898 -14.909 216 HA ILE 50 HA ILE 50 -12.947 8.067 -14.870 217 HB ILE 50 HB ILE 50 -15.150 6.279 -15.882 218 2HG1 ILE 50 2HG1 ILE 50 -14.639 5.886 -13.581 219 1HG2 ILE 50 1HG2 ILE 50 -12.656 6.779 -17.148 220 2HG2 ILE 50 2HG2 ILE 50 -12.569 5.170 -16.393 221 3HG2 ILE 50 3HG2 ILE 50 -13.877 5.546 -17.539 222 1HD1 ILE 50 1HD1 ILE 50 -12.835 3.772 -14.528 223 2HD1 ILE 50 2HD1 ILE 50 -14.475 3.638 -13.850 224 3HD1 ILE 50 3HD1 ILE 50 -14.253 3.959 -15.586 225 H GLY 51 H GLY 51 -15.771 8.060 -17.163 226 1HA GLY 51 1HA GLY 51 -15.023 10.442 -18.464 227 2HA GLY 51 2HA GLY 51 -14.330 9.085 -19.330 228 H ASN 52 H ASN 52 -17.477 9.658 -17.585 229 HA ASN 52 HA ASN 52 -18.911 9.558 -20.007 230 2HB ASN 52 2HB ASN 52 -19.745 7.307 -18.193 231 1HD2 ASN 52 1HD2 ASN 52 -19.816 5.327 -19.927 232 2HD2 ASN 52 2HD2 ASN 52 -20.762 5.689 -21.333 233 H PHE 53 H PHE 53 -19.313 8.492 -16.534 234 HA PHE 53 HA PHE 53 -20.634 10.840 -15.757 235 2HB PHE 53 2HB PHE 53 -22.554 10.088 -17.000 236 HD1 PHE 53 1HD PHE 53 -22.460 7.094 -14.837 237 HD2 PHE 53 2HD PHE 53 -22.264 8.580 -18.808 238 HE1 PHE 53 1HE PHE 53 -22.678 4.756 -15.724 239 HE2 PHE 53 2HE PHE 53 -22.481 6.241 -19.694 240 HZ PHE 53 HZ PHE 53 -22.686 4.358 -18.141 241 H SER 54 H SER 54 -20.231 7.285 -15.310 242 HA SER 54 HA SER 54 -19.260 7.750 -12.696 243 2HB SER 54 2HB SER 54 -21.799 7.783 -12.404 244 HG SER 54 HG SER 54 -21.648 5.539 -13.860 245 H GLY 55 H GLY 55 -18.003 5.954 -11.977 246 1HA GLY 55 1HA GLY 55 -16.757 4.332 -13.677 247 2HA GLY 55 2HA GLY 55 -17.110 3.862 -12.027 248 HA PRO 56 HA PRO 56 -20.201 1.857 -15.055 249 2HB PRO 56 2HB PRO 56 -20.228 2.698 -17.198 250 2HG PRO 56 2HG PRO 56 -18.394 3.983 -17.751 251 2HD PRO 56 2HD PRO 56 -17.727 4.664 -15.659 252 H TYR 57 H TYR 57 -17.107 0.802 -16.396 253 HA TYR 57 HA TYR 57 -17.727 -1.893 -15.629 254 2HB TYR 57 2HB TYR 57 -16.511 -1.463 -17.707 255 HD1 TYR 57 1HD TYR 57 -16.034 0.510 -18.850 256 HD2 TYR 57 2HD TYR 57 -13.968 -0.319 -15.196 257 HE1 TYR 57 1HE TYR 57 -14.578 2.565 -19.198 258 HE2 TYR 57 2HE TYR 57 -12.520 1.739 -15.557 259 HH TYR 57 HH TYR 57 -11.770 3.117 -17.352 260 H THR 58 H THR 58 -16.143 -3.254 -14.384 261 HA THR 58 HA THR 58 -15.625 -2.028 -11.873 262 HB THR 58 HB THR 58 -16.325 -4.390 -12.109 263 HG1 THR 58 1HG THR 58 -14.528 -5.185 -10.772 264 1HG2 THR 58 1HG2 THR 58 -15.332 -5.848 -13.565 265 2HG2 THR 58 2HG2 THR 58 -14.437 -4.463 -14.234 266 3HG2 THR 58 3HG2 THR 58 -13.717 -5.442 -12.935 267 H TYR 59 H TYR 59 -14.165 -0.375 -11.872 268 HA TYR 59 HA TYR 59 -11.505 -1.058 -12.931 269 2HB TYR 59 2HB TYR 59 -12.708 1.695 -12.295 270 HD1 TYR 59 1HD TYR 59 -10.938 0.152 -15.218 271 HD2 TYR 59 2HD TYR 59 -10.849 3.094 -12.113 272 HE1 TYR 59 1HE TYR 59 -8.787 1.111 -16.178 273 HE2 TYR 59 2HE TYR 59 -8.699 4.043 -13.083 274 HH TYR 59 HH TYR 59 -7.721 3.695 -15.974 275 H CYS 60 H CYS 60 -9.645 -0.114 -11.726 276 HA CYS 60 HA CYS 60 -9.997 -0.588 -8.950 277 2HB CYS 60 2HB CYS 60 -7.647 -0.323 -8.761 278 H ASN 61 H ASN 61 -10.230 0.936 -7.298 279 HA ASN 61 HA ASN 61 -10.656 3.636 -8.202 280 2HB ASN 61 2HB ASN 61 -11.048 2.398 -5.426 281 1HD2 ASN 61 1HD2 ASN 61 -13.225 4.389 -7.277 282 2HD2 ASN 61 2HD2 ASN 61 -13.132 5.827 -6.317 283 H THR 62 H THR 62 -9.823 5.417 -6.535 284 HA THR 62 HA THR 62 -6.997 4.872 -6.082 285 HB THR 62 HB THR 62 -7.692 6.895 -7.356 286 HG1 THR 62 1HG THR 62 -5.891 6.796 -5.657 287 1HG2 THR 62 1HG2 THR 62 -8.742 8.774 -5.956 288 2HG2 THR 62 2HG2 THR 62 -9.861 7.460 -6.389 289 3HG2 THR 62 3HG2 THR 62 -9.168 7.535 -4.753 290 H THR 63 H THR 63 -6.050 4.579 -4.148 291 HA THR 63 HA THR 63 -7.002 5.657 -1.754 292 HB THR 63 HB THR 63 -8.749 3.732 -2.506 293 HG1 THR 63 1HG THR 63 -8.957 3.498 -0.101 294 1HG2 THR 63 1HG2 THR 63 -7.012 1.913 -2.572 295 2HG2 THR 63 2HG2 THR 63 -6.596 2.277 -0.879 296 3HG2 THR 63 3HG2 THR 63 -8.207 1.636 -1.283 297 H LEU 64 H LEU 64 -5.911 4.456 0.201 298 HA LEU 64 HA LEU 64 -3.358 3.363 -0.733 299 2HB LEU 64 2HB LEU 64 -2.924 5.662 -0.304 300 HG LEU 64 HG LEU 64 -4.925 5.833 1.453 301 1HD1 LEU 64 1HD1 LEU 64 -4.497 5.061 3.485 302 2HD1 LEU 64 2HD1 LEU 64 -2.872 4.545 2.969 303 3HD1 LEU 64 3HD1 LEU 64 -3.121 6.184 3.619 304 1HD2 LEU 64 1HD2 LEU 64 -3.768 7.724 0.464 305 2HD2 LEU 64 2HD2 LEU 64 -3.965 7.967 2.216 306 3HD2 LEU 64 3HD2 LEU 64 -2.385 7.482 1.558 307 H ASP 65 H ASP 65 -2.871 1.455 0.218 308 HA ASP 65 HA ASP 65 -3.463 0.995 2.919 309 2HB ASP 65 2HB ASP 65 -5.018 -0.697 0.910 310 H GLN 66 H GLN 66 -1.182 0.941 1.096 311 HA GLN 66 HA GLN 66 -0.610 -1.919 1.147 312 2HB GLN 66 2HB GLN 66 1.121 -0.926 -0.766 313 2HG GLN 66 2HG GLN 66 -0.680 -2.903 -0.704 314 1HE2 GLN 66 1HE2 GLN 66 -2.730 -2.284 0.013 315 2HE2 GLN 66 2HE2 GLN 66 -3.944 -1.663 -1.055 316 H ILE 67 H ILE 67 1.108 1.275 0.785 317 HA ILE 67 HA ILE 67 2.678 0.608 3.136 318 HB ILE 67 HB ILE 67 4.667 1.512 1.570 319 2HG1 ILE 67 2HG1 ILE 67 2.833 1.259 -0.356 320 1HG2 ILE 67 1HG2 ILE 67 4.657 -0.459 3.070 321 2HG2 ILE 67 2HG2 ILE 67 3.854 -1.399 1.790 322 3HG2 ILE 67 3HG2 ILE 67 5.493 -0.755 1.528 323 1HD1 ILE 67 1HD1 ILE 67 5.806 0.832 -0.285 324 2HD1 ILE 67 2HD1 ILE 67 4.959 0.443 -1.801 325 3HD1 ILE 67 3HD1 ILE 67 4.858 2.086 -1.121 326 H GLY 68 H GLY 68 0.508 2.424 2.804 327 1HA GLY 68 1HA GLY 68 0.107 4.528 3.564 328 2HA GLY 68 2HA GLY 68 1.827 4.857 3.593 329 H THR 69 H THR 69 1.375 3.546 0.577 330 HA THR 69 HA THR 69 1.284 6.191 -0.631 331 HB THR 69 HB THR 69 2.169 3.398 -1.410 332 HG1 THR 69 1HG THR 69 4.005 4.877 -2.009 333 1HG2 THR 69 1HG2 THR 69 1.899 5.741 -3.361 334 2HG2 THR 69 2HG2 THR 69 2.498 4.104 -3.721 335 3HG2 THR 69 3HG2 THR 69 0.777 4.359 -3.346 336 H CYS 70 H CYS 70 -0.156 6.814 -2.293 337 HA CYS 70 HA CYS 70 -2.627 5.240 -2.234 338 2HB CYS 70 2HB CYS 70 -2.680 8.114 -3.005 339 H TRP 71 H TRP 71 -3.096 4.265 -4.176 340 HA TRP 71 HA TRP 71 -1.588 5.113 -6.510 341 2HB TRP 71 2HB TRP 71 -1.908 3.030 -7.344 342 HD1 TRP 71 HD TRP 71 -3.443 2.386 -3.807 343 HE1 TRP 71 1HE TRP 71 -1.840 0.861 -2.369 344 HE3 TRP 71 3HE TRP 71 0.298 2.171 -7.244 345 HZ2 TRP 71 2HZ TRP 71 0.754 -0.239 -2.818 346 HZ3 TRP 71 3HZ TRP 71 2.333 0.851 -6.665 347 HH2 TRP 71 HH TRP 71 2.595 -0.328 -4.540 348 HA PRO 72 HA PRO 72 -5.084 7.347 -7.879 349 2HB PRO 72 2HB PRO 72 -3.764 8.981 -8.821 350 2HG PRO 72 2HG PRO 72 -1.569 8.363 -9.173 351 2HD PRO 72 2HD PRO 72 -1.360 6.693 -7.608 352 H GLN 73 H GLN 73 -6.453 5.473 -7.829 353 HA GLN 73 HA GLN 73 -7.648 3.900 -8.757 354 2HB GLN 73 2HB GLN 73 -8.505 4.586 -11.173 355 2HG GLN 73 2HG GLN 73 -9.117 6.744 -9.197 356 1HE2 GLN 73 1HE2 GLN 73 -9.689 6.593 -11.843 357 2HE2 GLN 73 2HE2 GLN 73 -11.355 6.206 -12.110 358 H SER 74 H SER 74 -7.993 2.646 -11.153 359 HA SER 74 HA SER 74 -5.804 2.310 -12.746 360 2HB SER 74 2HB SER 74 -4.323 1.107 -11.541 361 HG SER 74 HG SER 74 -5.774 0.209 -9.384 362 H ALA 75 H ALA 75 -5.912 -0.195 -13.707 363 HA ALA 75 HA ALA 75 -8.791 -0.707 -14.017 364 1HB ALA 75 1HB ALA 75 -6.867 -1.674 -16.070 365 2HB ALA 75 2HB ALA 75 -8.469 -0.923 -16.265 366 3HB ALA 75 3HB ALA 75 -7.043 0.092 -15.945 367 HA PRO 76 HA PRO 76 -8.095 -4.779 -12.733 368 2HB PRO 76 2HB PRO 76 -10.310 -5.364 -12.967 369 2HG PRO 76 2HG PRO 76 -11.476 -4.118 -14.520 370 2HD PRO 76 2HD PRO 76 -10.205 -2.202 -14.542 371 H GLY 77 H GLY 77 -6.800 -6.597 -12.852 372 1HA GLY 77 1HA GLY 77 -5.132 -7.830 -13.714 373 2HA GLY 77 2HA GLY 77 -6.001 -7.773 -15.234 374 H ALA 78 H ALA 78 -5.182 -4.647 -13.920 375 HA ALA 78 HA ALA 78 -3.498 -4.096 -16.140 376 1HB ALA 78 1HB ALA 78 -5.120 -2.567 -14.749 377 2HB ALA 78 2HB ALA 78 -3.714 -2.367 -13.676 378 3HB ALA 78 3HB ALA 78 -3.604 -1.887 -15.387 379 H LEU 79 H LEU 79 -1.692 -2.337 -14.395 380 HA LEU 79 HA LEU 79 -0.149 -4.200 -12.874 381 2HB LEU 79 2HB LEU 79 1.641 -3.172 -14.881 382 HG LEU 79 HG LEU 79 2.472 -5.343 -15.048 383 1HD1 LEU 79 1HD1 LEU 79 3.228 -5.318 -12.966 384 2HD1 LEU 79 2HD1 LEU 79 1.842 -4.324 -12.457 385 3HD1 LEU 79 3HD1 LEU 79 1.730 -6.101 -12.409 386 1HD2 LEU 79 1HD2 LEU 79 0.222 -6.766 -13.732 387 2HD2 LEU 79 2HD2 LEU 79 -0.055 -6.183 -15.391 388 3HD2 LEU 79 3HD2 LEU 79 1.304 -7.282 -15.047 389 H VAL 80 H VAL 80 -0.577 -2.642 -11.231 390 HA VAL 80 HA VAL 80 0.390 0.051 -11.713 391 HB VAL 80 HB VAL 80 -1.041 -1.284 -9.411 392 1HG1 VAL 80 1HG1 VAL 80 -1.305 1.375 -8.916 393 2HG1 VAL 80 2HG1 VAL 80 -0.071 0.337 -8.164 394 3HG1 VAL 80 3HG1 VAL 80 0.345 1.330 -9.581 395 1HG2 VAL 80 1HG2 VAL 80 -2.930 -0.732 -10.459 396 2HG2 VAL 80 2HG2 VAL 80 -2.402 0.962 -10.604 397 3HG2 VAL 80 3HG2 VAL 80 -1.962 -0.218 -11.862 398 H GLU 81 H GLU 81 2.617 -1.075 -12.094 399 HA GLU 81 HA GLU 81 3.904 -2.035 -9.770 400 2HB GLU 81 2HB GLU 81 5.899 -2.146 -11.181 401 2HG GLU 81 2HG GLU 81 3.290 -2.831 -12.600 402 H ARG 82 H ARG 82 5.396 -0.985 -8.395 403 HA ARG 82 HA ARG 82 6.137 1.696 -9.005 404 2HB ARG 82 2HB ARG 82 4.720 1.307 -6.349 405 2HG ARG 82 2HG ARG 82 5.618 3.592 -8.092 406 2HD ARG 82 2HD ARG 82 4.039 5.140 -7.103 407 HE ARG 82 HE ARG 82 2.140 2.994 -7.810 408 1HH1 ARG 82 2HH2 ARG 82 4.323 5.490 -8.986 409 2HH1 ARG 82 1HH2 ARG 82 3.574 5.591 -10.544 410 1HH2 ARG 82 2HH1 ARG 82 1.151 3.126 -9.866 411 2HH2 ARG 82 1HH1 ARG 82 1.757 4.238 -11.047 412 HA PRO 83 HA PRO 83 9.462 0.153 -6.616 413 2HB PRO 83 2HB PRO 83 11.006 1.253 -7.922 414 2HG PRO 83 2HG PRO 83 10.150 3.001 -9.160 415 2HD PRO 83 2HD PRO 83 7.945 2.363 -9.296 416 H CYS 84 H CYS 84 10.003 -0.181 -4.516 417 HA CYS 84 HA CYS 84 8.386 0.769 -2.588 418 2HB CYS 84 2HB CYS 84 10.618 0.450 -1.130 419 HA PRO 85 HA PRO 85 9.668 4.996 -2.564 420 2HB PRO 85 2HB PRO 85 7.514 5.777 -2.789 421 2HG PRO 85 2HG PRO 85 5.874 4.209 -2.378 422 2HD PRO 85 2HD PRO 85 7.041 2.275 -2.808 423 H GLU 86 H GLU 86 10.707 6.494 -1.201 424 HA GLU 86 HA GLU 86 12.093 5.306 0.813 425 2HB GLU 86 2HB GLU 86 12.964 7.331 -0.041 426 2HG GLU 86 2HG GLU 86 10.145 8.307 0.325 427 H TYR 87 H TYR 87 10.768 4.087 2.240 428 HA TYR 87 HA TYR 87 9.892 5.388 4.524 429 2HB TYR 87 2HB TYR 87 7.542 4.281 2.943 430 HD1 TYR 87 1HD TYR 87 5.725 4.301 4.372 431 HD2 TYR 87 2HD TYR 87 8.598 7.458 4.660 432 HE1 TYR 87 1HE TYR 87 4.356 5.389 6.218 433 HE2 TYR 87 2HE TYR 87 7.220 8.535 6.504 434 HH TYR 87 HH TYR 87 4.384 8.262 7.025 435 H PHE 88 H PHE 88 9.546 2.635 2.256 436 HA PHE 88 HA PHE 88 8.454 0.689 3.659 437 2HB PHE 88 2HB PHE 88 9.433 0.060 1.591 438 HD1 PHE 88 1HD PHE 88 12.744 0.455 3.171 439 HD2 PHE 88 2HD PHE 88 10.093 1.846 0.164 440 HE1 PHE 88 1HE PHE 88 14.612 1.771 2.134 441 HE2 PHE 88 2HE PHE 88 11.962 3.163 -0.874 442 HZ PHE 88 HZ PHE 88 14.199 3.110 0.124 443 H ASN 89 H ASN 89 11.810 1.923 4.219 444 HA ASN 89 HA ASN 89 11.625 0.733 6.855 445 2HB ASN 89 2HB ASN 89 13.989 -0.058 6.695 446 1HD2 ASN 89 1HD2 ASN 89 13.962 -0.955 3.589 447 2HD2 ASN 89 2HD2 ASN 89 13.003 -2.395 3.634 448 H GLY 90 H GLY 90 13.905 2.556 4.653 449 1HA GLY 90 1HA GLY 90 13.759 5.065 5.428 450 2HA GLY 90 2HA GLY 90 14.556 4.388 6.835 451 H ILE 91 H ILE 91 14.804 3.968 3.224 452 HA ILE 91 HA ILE 91 17.634 4.650 3.457 453 HB ILE 91 HB ILE 91 16.944 2.066 3.400 454 2HG1 ILE 91 2HG1 ILE 91 19.310 3.112 1.829 455 1HG2 ILE 91 1HG2 ILE 91 17.576 2.338 0.515 456 2HG2 ILE 91 2HG2 ILE 91 16.578 1.139 1.372 457 3HG2 ILE 91 3HG2 ILE 91 15.916 2.751 1.008 458 1HD1 ILE 91 1HD1 ILE 91 18.629 3.251 4.758 459 2HD1 ILE 91 2HD1 ILE 91 20.299 2.828 4.306 460 3HD1 ILE 91 3HD1 ILE 91 19.593 4.369 3.764 461 H LYS 92 H LYS 92 18.442 4.509 0.878 462 HA LYS 92 HA LYS 92 16.902 6.621 -0.299 463 2HB LYS 92 2HB LYS 92 19.378 6.613 -0.267 464 2HG LYS 92 2HG LYS 92 19.534 4.753 -2.578 465 2HD LYS 92 2HD LYS 92 21.138 5.204 -0.020 466 2HE LYS 92 2HE LYS 92 21.901 3.482 -2.423 467 1HZ LYS 92 1HZ LYS 92 23.850 3.679 -1.442 468 2HZ LYS 92 2HZ LYS 92 23.241 4.480 -0.155 469 3HZ LYS 92 3HZ LYS 92 23.271 2.847 -0.161 470 H TYR 93 H TYR 93 15.046 6.194 -1.365 471 HA TYR 93 HA TYR 93 14.573 3.600 -2.473 472 2HB TYR 93 2HB TYR 93 12.934 5.298 -1.371 473 HD1 TYR 93 1HD TYR 93 15.058 7.091 -3.027 474 HD2 TYR 93 2HD TYR 93 10.818 6.530 -3.114 475 HE1 TYR 93 1HE TYR 93 14.760 9.429 -3.980 476 HE2 TYR 93 2HE TYR 93 10.534 8.870 -4.066 477 HH TYR 93 HH TYR 93 13.235 10.697 -5.190 478 H ASN 94 H ASN 94 16.794 4.126 -3.789 479 HA ASN 94 HA ASN 94 15.882 5.208 -6.340 480 2HB ASN 94 2HB ASN 94 18.139 5.961 -6.777 481 1HD2 ASN 94 1HD2 ASN 94 15.829 6.847 -5.287 482 2HD2 ASN 94 2HD2 ASN 94 16.359 8.020 -4.128 483 H THR 95 H THR 95 17.926 2.783 -4.591 484 HA THR 95 HA THR 95 17.728 1.040 -6.958 485 HB THR 95 HB THR 95 20.032 1.767 -6.790 486 HG1 THR 95 1HG THR 95 20.513 -0.390 -6.842 487 1HG2 THR 95 1HG2 THR 95 20.307 2.713 -4.610 488 2HG2 THR 95 2HG2 THR 95 19.609 1.284 -3.812 489 3HG2 THR 95 3HG2 THR 95 21.238 1.198 -4.524 490 H THR 96 H THR 96 17.864 -1.319 -6.432 491 HA THR 96 HA THR 96 16.709 -2.998 -5.484 492 HB THR 96 HB THR 96 18.797 -3.149 -4.266 493 HG1 THR 96 1HG THR 96 16.624 -2.924 -2.313 494 1HG2 THR 96 1HG2 THR 96 19.030 -0.794 -3.496 495 2HG2 THR 96 2HG2 THR 96 17.617 -0.995 -2.432 496 3HG2 THR 96 3HG2 THR 96 19.114 -1.901 -2.106 497 H ARG 97 H ARG 97 14.568 -2.267 -5.871 498 HA ARG 97 HA ARG 97 13.181 -1.900 -3.421 499 2HB ARG 97 2HB ARG 97 13.516 0.441 -3.762 500 2HG ARG 97 2HG ARG 97 12.532 0.926 -6.417 501 2HD ARG 97 2HD ARG 97 15.434 1.122 -6.173 502 HE ARG 97 HE ARG 97 14.078 3.605 -5.939 503 1HH1 ARG 97 2HH2 ARG 97 14.159 0.847 -8.123 504 2HH1 ARG 97 1HH2 ARG 97 13.708 1.774 -9.515 505 1HH2 ARG 97 2HH1 ARG 97 13.485 4.829 -7.775 506 2HH2 ARG 97 1HH1 ARG 97 13.323 4.055 -9.316 507 H ASN 98 H ASN 98 11.089 -2.794 -3.583 508 HA ASN 98 HA ASN 98 10.079 -3.219 -6.263 509 2HB ASN 98 2HB ASN 98 9.916 -5.548 -6.069 510 1HD2 ASN 98 1HD2 ASN 98 11.981 -5.208 -7.033 511 2HD2 ASN 98 2HD2 ASN 98 13.441 -5.602 -6.188 512 H ALA 99 H ALA 99 7.971 -2.427 -6.223 513 HA ALA 99 HA ALA 99 6.276 -3.076 -3.976 514 1HB ALA 99 1HB ALA 99 5.995 -0.241 -4.533 515 2HB ALA 99 2HB ALA 99 6.295 -1.061 -2.981 516 3HB ALA 99 3HB ALA 99 7.662 -0.611 -4.030 517 H TYR 100 H TYR 100 6.047 -4.234 -6.386 518 HA TYR 100 HA TYR 100 4.186 -2.601 -7.945 519 2HB TYR 100 2HB TYR 100 4.881 -4.043 -9.711 520 HD1 TYR 100 1HD TYR 100 7.184 -6.163 -8.084 521 HD2 TYR 100 2HD TYR 100 6.661 -2.106 -9.339 522 HE1 TYR 100 1HE TYR 100 9.702 -5.817 -8.044 523 HE2 TYR 100 2HE TYR 100 9.182 -1.774 -9.294 524 HH TYR 100 HH TYR 100 11.330 -4.313 -9.188 525 H ARG 101 H ARG 101 2.202 -3.711 -8.808 526 HA ARG 101 HA ARG 101 1.329 -6.000 -7.385 527 2HB ARG 101 2HB ARG 101 0.708 -4.497 -5.630 528 2HG ARG 101 2HG ARG 101 0.141 -2.626 -7.913 529 2HD ARG 101 2HD ARG 101 -1.571 -1.445 -6.890 530 HE ARG 101 HE ARG 101 -2.633 -3.579 -5.345 531 1HH1 ARG 101 2HH2 ARG 101 -1.471 -3.017 -8.619 532 2HH1 ARG 101 1HH2 ARG 101 -2.485 -4.231 -9.324 533 1HH2 ARG 101 2HH1 ARG 101 -3.971 -5.182 -6.276 534 2HH2 ARG 101 1HH1 ARG 101 -3.916 -5.471 -7.982 535 H GLU 102 H GLU 102 -0.464 -7.003 -8.470 536 HA GLU 102 HA GLU 102 -1.135 -5.670 -10.965 537 2HB GLU 102 2HB GLU 102 -0.312 -7.723 -11.632 538 2HG GLU 102 2HG GLU 102 -1.467 -8.867 -9.047 539 H CYS 103 H CYS 103 -3.227 -5.026 -11.388 540 HA CYS 103 HA CYS 103 -5.073 -5.054 -9.269 541 2HB CYS 103 2HB CYS 103 -6.421 -4.481 -11.693 542 H LEU 104 H LEU 104 -6.693 -6.535 -8.795 543 HA LEU 104 HA LEU 104 -6.635 -9.054 -9.995 544 2HB LEU 104 2HB LEU 104 -9.127 -8.661 -8.708 545 HG LEU 104 HG LEU 104 -8.138 -9.911 -6.829 546 1HD1 LEU 104 1HD1 LEU 104 -9.051 -11.190 -8.637 547 2HD1 LEU 104 2HD1 LEU 104 -7.563 -10.998 -9.597 548 3HD1 LEU 104 3HD1 LEU 104 -7.542 -11.971 -8.107 549 1HD2 LEU 104 1HD2 LEU 104 -5.573 -9.355 -8.299 550 2HD2 LEU 104 2HD2 LEU 104 -5.955 -9.163 -6.571 551 3HD2 LEU 104 3HD2 LEU 104 -5.740 -10.790 -7.260 552 H GLU 105 H GLU 105 -8.495 -10.151 -11.116 553 HA GLU 105 HA GLU 105 -9.158 -8.634 -13.380 554 2HB GLU 105 2HB GLU 105 -10.592 -11.202 -12.742 555 2HG GLU 105 2HG GLU 105 -9.183 -10.002 -15.167 556 H ASN 106 H ASN 106 -10.413 -8.539 -10.280 557 HA ASN 106 HA ASN 106 -13.139 -8.172 -11.185 558 2HB ASN 106 2HB ASN 106 -12.742 -7.663 -8.338 559 1HD2 ASN 106 1HD2 ASN 106 -13.045 -10.946 -8.922 560 2HD2 ASN 106 2HD2 ASN 106 -14.769 -11.090 -9.005 561 H GLY 107 H GLY 107 -10.435 -6.379 -11.267 562 1HA GLY 107 1HA GLY 107 -10.061 -4.159 -11.401 563 2HA GLY 107 2HA GLY 107 -11.768 -3.871 -11.125 564 H THR 108 H THR 108 -10.283 -5.927 -8.741 565 HA THR 108 HA THR 108 -10.500 -3.773 -6.794 566 HB THR 108 HB THR 108 -10.293 -5.720 -5.196 567 HG1 THR 108 1HG THR 108 -9.140 -7.298 -6.286 568 1HG2 THR 108 1HG2 THR 108 -12.341 -5.632 -7.394 569 2HG2 THR 108 2HG2 THR 108 -12.236 -7.153 -6.474 570 3HG2 THR 108 3HG2 THR 108 -12.578 -5.624 -5.629 571 H TRP 109 H TRP 109 -8.745 -4.054 -4.909 572 HA TRP 109 HA TRP 109 -6.225 -3.571 -6.286 573 2HB TRP 109 2HB TRP 109 -5.727 -2.937 -3.720 574 HD1 TRP 109 HD TRP 109 -7.867 -0.153 -4.008 575 HE1 TRP 109 1HE TRP 109 -7.017 1.830 -5.527 576 HE3 TRP 109 3HE TRP 109 -4.359 -2.867 -6.494 577 HZ2 TRP 109 2HZ TRP 109 -5.016 2.036 -7.552 578 HZ3 TRP 109 3HZ TRP 109 -3.001 -1.699 -8.227 579 HH2 TRP 109 HH TRP 109 -3.283 0.667 -8.770 580 H ALA 110 H ALA 110 -4.269 -4.295 -4.634 581 HA ALA 110 HA ALA 110 -4.675 -7.176 -4.349 582 1HB ALA 110 1HB ALA 110 -2.840 -6.681 -5.767 583 2HB ALA 110 2HB ALA 110 -2.258 -5.379 -4.702 584 3HB ALA 110 3HB ALA 110 -2.102 -7.079 -4.198 585 H SER 111 H SER 111 -4.310 -8.256 -2.389 586 HA SER 111 HA SER 111 -5.052 -7.104 -0.117 587 2HB SER 111 2HB SER 111 -3.063 -8.976 0.683 588 HG SER 111 HG SER 111 -5.049 -9.251 1.592 589 H ARG 112 H ARG 112 -1.619 -7.463 -1.255 590 HA ARG 112 HA ARG 112 -0.947 -5.002 -0.078 591 2HB ARG 112 2HB ARG 112 0.980 -6.659 1.196 592 2HG ARG 112 2HG ARG 112 -1.085 -4.694 1.915 593 2HD ARG 112 2HD ARG 112 -1.492 -7.043 3.279 594 HE ARG 112 HE ARG 112 0.913 -5.918 4.436 595 1HH1 ARG 112 2HH2 ARG 112 -2.126 -7.473 5.288 596 2HH1 ARG 112 1HH2 ARG 112 -1.526 -8.116 6.781 597 1HH2 ARG 112 2HH1 ARG 112 1.705 -6.766 6.404 598 2HH2 ARG 112 1HH1 ARG 112 0.669 -7.711 7.420 599 H VAL 113 H VAL 113 0.614 -4.161 -1.437 600 HA VAL 113 HA VAL 113 1.586 -5.401 -3.618 601 HB VAL 113 HB VAL 113 1.717 -3.009 -3.135 602 1HG1 VAL 113 1HG1 VAL 113 2.898 -2.067 -1.453 603 2HG1 VAL 113 2HG1 VAL 113 2.806 -3.692 -0.734 604 3HG1 VAL 113 3HG1 VAL 113 4.261 -3.198 -1.634 605 1HG2 VAL 113 1HG2 VAL 113 3.046 -3.349 -4.949 606 2HG2 VAL 113 2HG2 VAL 113 4.319 -2.844 -3.813 607 3HG2 VAL 113 3HG2 VAL 113 4.044 -4.574 -4.130 608 H ASN 114 H ASN 114 3.506 -6.526 -4.221 609 HA ASN 114 HA ASN 114 4.312 -8.408 -2.363 610 2HB ASN 114 2HB ASN 114 4.410 -8.684 -4.868 611 1HD2 ASN 114 1HD2 ASN 114 4.310 -7.016 -6.260 612 2HD2 ASN 114 2HD2 ASN 114 5.657 -6.049 -6.758 613 H TYR 115 H TYR 115 5.880 -8.250 -0.743 614 HA TYR 115 HA TYR 115 8.003 -6.260 -1.107 615 2HB TYR 115 2HB TYR 115 7.252 -6.556 1.677 616 HD1 TYR 115 1HD TYR 115 5.952 -4.407 -1.125 617 HD2 TYR 115 2HD TYR 115 8.129 -4.603 2.553 618 HE1 TYR 115 1HE TYR 115 6.289 -1.888 -1.183 619 HE2 TYR 115 2HE TYR 115 8.457 -2.082 2.484 620 HH TYR 115 HH TYR 115 7.392 -0.157 1.519 621 H SER 116 H SER 116 9.441 -8.000 -1.661 622 HA SER 116 HA SER 116 9.980 -9.734 0.623 623 2HB SER 116 2HB SER 116 10.964 -11.325 -1.119 624 HG SER 116 HG SER 116 8.852 -11.762 -0.326 625 H HIS 117 H HIS 117 11.561 -8.475 -2.415 626 HA HIS 117 HA HIS 117 14.041 -8.262 -0.912 627 2HB HIS 117 2HB HIS 117 15.154 -8.194 -2.992 628 HD1 HIS 117 1HD HIS 117 15.019 -10.740 -1.837 629 HD2 HIS 117 2HD HIS 117 12.466 -9.893 -5.056 630 HE1 HIS 117 1HE HIS 117 14.266 -12.994 -2.764 631 H CYS 118 H CYS 118 11.588 -6.456 -0.617 632 HA CYS 118 HA CYS 118 12.231 -4.003 -1.831 633 2HB CYS 118 2HB CYS 118 10.481 -4.718 0.524 634 H GLU 119 H GLU 119 14.647 -4.173 -1.291 635 HA GLU 119 HA GLU 119 16.377 -3.996 0.122 636 2HB GLU 119 2HB GLU 119 15.911 -1.759 -0.875 637 2HG GLU 119 2HG GLU 119 14.926 -0.604 1.663 638 HA PRO 120 HA PRO 120 14.275 -4.865 4.057 639 2HB PRO 120 2HB PRO 120 13.664 -7.054 3.688 640 2HG PRO 120 2HG PRO 120 14.543 -7.990 1.773 641 2HD PRO 120 2HD PRO 120 14.926 -6.093 0.531 642 H ILE 121 H ILE 121 16.105 -3.059 4.096 643 HA ILE 121 HA ILE 121 18.604 -3.819 5.010 644 HB ILE 121 HB ILE 121 16.939 -1.347 5.138 645 2HG1 ILE 121 2HG1 ILE 121 19.062 -2.439 3.504 646 1HG2 ILE 121 1HG2 ILE 121 17.883 -1.132 7.265 647 2HG2 ILE 121 2HG2 ILE 121 19.426 -1.860 6.760 648 3HG2 ILE 121 3HG2 ILE 121 18.989 -0.228 6.203 649 1HD1 ILE 121 1HD1 ILE 121 17.389 0.111 3.355 650 2HD1 ILE 121 2HD1 ILE 121 18.356 -0.568 2.025 651 3HD1 ILE 121 3HD1 ILE 121 16.951 -1.464 2.649 652 H LEU 122 H LEU 122 19.540 -3.782 7.174 653 HA LEU 122 HA LEU 122 17.744 -5.021 9.052 654 2HB LEU 122 2HB LEU 122 19.952 -5.944 8.635 655 HG LEU 122 HG LEU 122 20.899 -3.232 9.241 656 1HD1 LEU 122 1HD1 LEU 122 21.892 -3.647 11.192 657 2HD1 LEU 122 2HD1 LEU 122 21.597 -5.397 11.068 658 3HD1 LEU 122 3HD1 LEU 122 23.019 -4.676 10.278 659 1HD2 LEU 122 1HD2 LEU 122 21.283 -4.983 7.239 660 2HD2 LEU 122 2HD2 LEU 122 22.441 -3.696 7.654 661 3HD2 LEU 122 3HD2 LEU 122 22.710 -5.358 8.235 662 H ASP 123 H ASP 123 16.623 -2.643 8.747 663 HA ASP 123 HA ASP 123 17.787 -0.642 10.343 664 2HB ASP 123 2HB ASP 123 16.078 -0.342 8.458 665 H ASP 124 H ASP 124 17.853 -0.721 12.592 666 HA ASP 124 HA ASP 124 17.202 -0.956 14.656 667 2HB ASP 124 2HB ASP 124 14.567 -2.167 14.443 668 H LYS 125 H LYS 125 18.551 -2.724 15.226 669 HA LYS 125 HA LYS 125 17.282 -5.358 15.052 670 2HB LYS 125 2HB LYS 125 20.228 -4.933 14.519 671 2HG LYS 125 2HG LYS 125 18.912 -7.212 13.275 672 2HD LYS 125 2HD LYS 125 20.623 -8.164 15.263 673 2HE LYS 125 2HE LYS 125 21.212 -7.183 12.434 674 1HZ LYS 125 1HZ LYS 125 22.980 -8.016 14.413 675 2HZ LYS 125 2HZ LYS 125 22.915 -9.182 13.271 676 3HZ LYS 125 3HZ LYS 125 23.303 -7.652 12.854 677 H GLN 126 H GLN 126 16.620 -4.963 17.262 678 HA GLN 126 HA GLN 126 16.900 -4.732 19.435 679 2HB GLN 126 2HB GLN 126 19.092 -6.813 19.191 680 2HG GLN 126 2HG GLN 126 16.722 -7.259 20.907 681 1HE2 GLN 126 1HE2 GLN 126 18.474 -6.549 23.209 682 2HE2 GLN 126 2HE2 GLN 126 19.654 -7.811 23.331 683 H ARG 127 H ARG 127 18.186 -2.585 18.408 684 HA ARG 127 HA ARG 127 19.768 -1.130 18.670 685 2HB ARG 127 2HB ARG 127 20.973 -1.651 21.166 686 2HG ARG 127 2HG ARG 127 18.723 0.007 20.118 687 2HD ARG 127 2HD ARG 127 18.279 0.812 22.527 688 HE ARG 127 HE ARG 127 16.478 -0.481 21.579 689 1HH1 ARG 127 2HH2 ARG 127 18.884 -2.467 23.205 690 2HH1 ARG 127 1HH2 ARG 127 17.851 -3.854 23.313 691 1HH2 ARG 127 2HH1 ARG 127 15.116 -2.310 21.720 692 2HH2 ARG 127 1HH1 ARG 127 15.694 -3.764 22.462 693 H LYS 128 H LYS 128 21.282 -1.762 17.050 694 HA LYS 128 HA LYS 128 23.117 -3.872 17.465 695 2HB LYS 128 2HB LYS 128 22.563 -3.396 15.236 696 2HG LYS 128 2HG LYS 128 22.829 -0.562 16.129 697 2HD LYS 128 2HD LYS 128 23.069 -0.074 13.501 698 2HE LYS 128 2HE LYS 128 25.567 -0.730 15.122 699 1HZ LYS 128 1HZ LYS 128 24.956 0.763 12.789 700 2HZ LYS 128 2HZ LYS 128 25.753 1.659 13.898 701 3HZ LYS 128 3HZ LYS 128 26.406 0.266 13.353 702 H TYR 129 H TYR 129 22.874 -0.715 18.766 703 HA TYR 129 HA TYR 129 25.390 -0.997 20.063 704 2HB TYR 129 2HB TYR 129 24.941 1.406 18.204 705 HD1 TYR 129 1HD TYR 129 28.066 -0.247 17.844 706 HD2 TYR 129 2HD TYR 129 25.967 2.517 20.347 707 HE1 TYR 129 1HE TYR 129 30.276 0.630 18.742 708 HE2 TYR 129 2HE TYR 129 28.184 3.383 21.237 709 HH TYR 129 HH TYR 129 30.468 3.502 20.564 710 H ASP 130 H ASP 130 25.682 0.601 21.765 711 HA ASP 130 HA ASP 130 23.503 1.186 23.162 712 2HB ASP 130 2HB ASP 130 24.845 2.692 24.453 713 H LEU 131 H LEU 131 21.722 2.517 22.795 714 HA LEU 131 HA LEU 131 22.028 5.154 21.820 715 2HB LEU 131 2HB LEU 131 20.283 4.200 19.862 716 HG LEU 131 HG LEU 131 23.146 5.135 19.742 717 1HD1 LEU 131 1HD1 LEU 131 23.293 3.815 17.888 718 2HD1 LEU 131 2HD1 LEU 131 21.540 3.845 17.582 719 3HD1 LEU 131 3HD1 LEU 131 22.541 5.257 17.163 720 1HD2 LEU 131 1HD2 LEU 131 21.624 6.815 18.208 721 2HD2 LEU 131 2HD2 LEU 131 20.478 6.341 19.485 722 3HD2 LEU 131 3HD2 LEU 131 22.041 7.074 19.919 723 H HIS 132 H HIS 132 21.070 4.872 24.124 724 HA HIS 132 HA HIS 132 18.227 5.187 23.809 725 2HB HIS 132 2HB HIS 132 19.439 2.799 25.049 726 HD1 HIS 132 1HD HIS 132 19.682 3.230 27.605 727 HD2 HIS 132 2HD HIS 132 15.814 3.874 26.112 728 HE1 HIS 132 1HE HIS 132 18.153 3.423 29.639 729 HE2 HIS 132 2HE HIS 132 15.801 3.872 28.660 730 H TYR 133 H TYR 133 17.402 6.683 25.272 731 HA TYR 133 HA TYR 133 19.416 7.931 26.975 732 2HB TYR 133 2HB TYR 133 16.522 8.726 26.298 733 HD1 TYR 133 1HD TYR 133 16.224 10.014 28.332 734 HD2 TYR 133 2HD TYR 133 19.579 10.726 25.774 735 HE1 TYR 133 1HE TYR 133 16.702 12.192 29.554 736 HE2 TYR 133 2HE TYR 133 20.045 12.902 27.004 737 HH TYR 133 HH TYR 133 19.308 14.334 28.465 Start of MODEL 17 1 1H GLY 15 H GLY 15 -34.002 -15.248 48.977 2 1HA GLY 15 1HA GLY 15 -34.059 -15.082 46.288 3 2HA GLY 15 2HA GLY 15 -35.098 -13.752 46.758 4 H SER 16 H SER 16 -32.257 -13.939 45.550 5 HA SER 16 HA SER 16 -31.115 -12.045 47.434 6 2HB SER 16 2HB SER 16 -30.016 -14.334 47.632 7 HG SER 16 HG SER 16 -28.308 -14.147 45.583 8 H GLY 17 H GLY 17 -29.583 -10.498 46.382 9 1HA GLY 17 1HA GLY 17 -28.888 -10.379 43.745 10 2HA GLY 17 2HA GLY 17 -30.520 -9.741 43.777 11 H MET 18 H MET 18 -27.543 -8.624 43.539 12 HA MET 18 HA MET 18 -27.645 -6.712 45.694 13 2HB MET 18 2HB MET 18 -25.448 -5.965 44.360 14 2HG MET 18 2HG MET 18 -24.512 -8.437 45.263 15 1HE MET 18 1HE MET 18 -23.067 -6.478 44.683 16 2HE MET 18 2HE MET 18 -22.507 -5.275 45.868 17 3HE MET 18 3HE MET 18 -22.110 -6.995 46.092 18 H LYS 19 H LYS 19 -27.032 -4.328 45.021 19 HA LYS 19 HA LYS 19 -27.712 -3.407 42.476 20 2HB LYS 19 2HB LYS 19 -29.964 -3.272 44.501 21 2HG LYS 19 2HG LYS 19 -30.474 -2.271 41.786 22 2HD LYS 19 2HD LYS 19 -30.726 -1.018 44.563 23 2HE LYS 19 2HE LYS 19 -31.223 0.009 41.850 24 1HZ LYS 19 1HZ LYS 19 -33.447 -0.734 42.379 25 2HZ LYS 19 2HZ LYS 19 -33.422 0.072 43.800 26 3HZ LYS 19 3HZ LYS 19 -33.372 0.897 42.391 27 H GLU 20 H GLU 20 -26.310 -1.741 42.414 28 HA GLU 20 HA GLU 20 -26.606 0.513 43.876 29 2HB GLU 20 2HB GLU 20 -24.150 -0.288 45.142 30 2HG GLU 20 2HG GLU 20 -26.100 -0.152 47.125 31 H THR 21 H THR 21 -25.208 2.148 43.082 32 HA THR 21 HA THR 21 -22.703 1.608 41.925 33 HB THR 21 HB THR 21 -23.799 0.493 40.111 34 HG1 THR 21 1HG THR 21 -22.431 2.499 39.645 35 1HG2 THR 21 1HG2 THR 21 -25.849 1.150 39.108 36 2HG2 THR 21 2HG2 THR 21 -26.151 1.487 40.829 37 3HG2 THR 21 3HG2 THR 21 -25.721 2.815 39.724 38 H ALA 22 H ALA 22 -25.657 3.672 41.891 39 HA ALA 22 HA ALA 22 -25.902 5.857 42.124 40 1HB ALA 22 1HB ALA 22 -23.351 5.287 43.552 41 2HB ALA 22 2HB ALA 22 -23.649 6.992 43.138 42 3HB ALA 22 3HB ALA 22 -24.829 6.097 44.125 43 H ALA 23 H ALA 23 -25.473 7.894 41.032 44 HA ALA 23 HA ALA 23 -23.232 8.240 39.372 45 1HB ALA 23 1HB ALA 23 -24.232 6.428 38.058 46 2HB ALA 23 2HB ALA 23 -25.788 7.290 38.014 47 3HB ALA 23 3HB ALA 23 -24.371 7.968 37.176 48 H ALA 24 H ALA 24 -23.368 10.304 38.194 49 HA ALA 24 HA ALA 24 -25.711 11.903 38.916 50 1HB ALA 24 1HB ALA 24 -24.527 13.067 40.429 51 2HB ALA 24 2HB ALA 24 -23.077 12.093 40.084 52 3HB ALA 24 3HB ALA 24 -23.408 13.562 39.136 53 H LYS 25 H LYS 25 -25.414 14.181 37.714 54 HA LYS 25 HA LYS 25 -24.824 13.448 34.956 55 2HB LYS 25 2HB LYS 25 -27.068 14.351 35.587 56 2HG LYS 25 2HG LYS 25 -26.826 17.048 35.652 57 2HD LYS 25 2HD LYS 25 -26.492 16.334 38.376 58 2HE LYS 25 2HE LYS 25 -29.238 16.040 37.722 59 1HZ LYS 25 1HZ LYS 25 -27.568 18.309 38.518 60 2HZ LYS 25 2HZ LYS 25 -29.189 18.444 38.370 61 3HZ LYS 25 3HZ LYS 25 -28.551 17.404 39.455 62 H PHE 26 H PHE 26 -23.394 14.642 33.634 63 HA PHE 26 HA PHE 26 -22.143 16.986 34.362 64 2HB PHE 26 2HB PHE 26 -19.853 15.406 34.715 65 HD1 PHE 26 1HD PHE 26 -21.246 14.731 37.779 66 HD2 PHE 26 2HD PHE 26 -20.131 18.048 35.379 67 HE1 PHE 26 1HE PHE 26 -21.045 16.153 39.838 68 HE2 PHE 26 2HE PHE 26 -19.928 19.469 37.437 69 HZ PHE 26 HZ PHE 26 -20.388 18.505 39.643 70 H GLU 27 H GLU 27 -22.314 17.443 32.151 71 HA GLU 27 HA GLU 27 -20.341 16.078 30.550 72 2HB GLU 27 2HB GLU 27 -22.495 16.383 28.762 73 2HG GLU 27 2HG GLU 27 -22.572 13.715 29.399 74 H ARG 28 H ARG 28 -20.272 17.280 28.249 75 HA ARG 28 HA ARG 28 -19.778 19.105 27.203 76 2HB ARG 28 2HB ARG 28 -21.825 20.765 28.681 77 2HG ARG 28 2HG ARG 28 -20.638 20.562 25.967 78 2HD ARG 28 2HD ARG 28 -23.085 19.771 25.675 79 HE ARG 28 HE ARG 28 -24.558 21.156 26.855 80 1HH1 ARG 28 2HH2 ARG 28 -22.190 23.152 25.183 81 2HH1 ARG 28 1HH2 ARG 28 -22.982 24.642 25.574 82 1HH2 ARG 28 2HH1 ARG 28 -25.603 23.121 27.371 83 2HH2 ARG 28 1HH1 ARG 28 -24.936 24.625 26.827 84 H GLN 29 H GLN 29 -17.845 18.881 28.880 85 HA GLN 29 HA GLN 29 -17.730 21.395 30.357 86 2HB GLN 29 2HB GLN 29 -16.450 18.716 31.057 87 2HG GLN 29 2HG GLN 29 -15.560 21.349 31.690 88 1HE2 GLN 29 1HE2 GLN 29 -17.170 22.552 32.696 89 2HE2 GLN 29 2HE2 GLN 29 -17.596 22.345 34.363 90 H HIS 30 H HIS 30 -15.463 18.803 29.161 91 HA HIS 30 HA HIS 30 -14.248 20.563 27.320 92 2HB HIS 30 2HB HIS 30 -12.569 19.889 29.747 93 HD1 HIS 30 1HD HIS 30 -10.791 22.322 29.635 94 HD2 HIS 30 2HD HIS 30 -11.914 20.194 26.199 95 HE1 HIS 30 1HE HIS 30 -9.032 22.845 27.863 96 H MET 31 H MET 31 -15.141 18.515 26.285 97 HA MET 31 HA MET 31 -13.674 16.136 26.846 98 2HB MET 31 2HB MET 31 -15.420 16.614 24.394 99 2HG MET 31 2HG MET 31 -16.208 14.247 25.541 100 1HE MET 31 1HE MET 31 -16.311 13.000 22.371 101 2HE MET 31 2HE MET 31 -17.079 13.952 23.663 102 3HE MET 31 3HE MET 31 -16.470 14.764 22.201 103 H ASP 32 H ASP 32 -11.628 15.797 26.098 104 HA ASP 32 HA ASP 32 -10.292 17.384 24.406 105 2HB ASP 32 2HB ASP 32 -9.043 15.751 25.593 106 H SER 33 H SER 33 -9.426 16.769 22.101 107 HA SER 33 HA SER 33 -11.400 16.785 20.296 108 2HB SER 33 2HB SER 33 -9.475 15.534 18.830 109 HG SER 33 HG SER 33 -10.222 17.925 18.966 110 HA PRO 34 HA PRO 34 -12.949 12.727 20.040 111 2HB PRO 34 2HB PRO 34 -14.821 13.426 18.894 112 2HG PRO 34 2HG PRO 34 -14.575 15.432 17.782 113 2HD PRO 34 2HD PRO 34 -12.874 16.374 19.010 114 H ASP 35 H ASP 35 -13.221 10.966 17.899 115 HA ASP 35 HA ASP 35 -11.033 9.516 18.050 116 2HB ASP 35 2HB ASP 35 -11.552 8.744 15.648 117 H LEU 36 H LEU 36 -9.031 9.263 16.762 118 HA LEU 36 HA LEU 36 -7.661 11.578 16.255 119 2HB LEU 36 2HB LEU 36 -7.303 8.738 15.339 120 HG LEU 36 HG LEU 36 -5.741 11.101 14.480 121 1HD1 LEU 36 1HD1 LEU 36 -4.543 9.124 16.226 122 2HD1 LEU 36 2HD1 LEU 36 -3.782 9.112 14.617 123 3HD1 LEU 36 3HD1 LEU 36 -3.857 10.623 15.554 124 1HD2 LEU 36 1HD2 LEU 36 -6.641 8.519 13.436 125 2HD2 LEU 36 2HD2 LEU 36 -6.274 10.041 12.589 126 3HD2 LEU 36 3HD2 LEU 36 -4.960 8.912 13.000 127 H GLY 37 H GLY 37 -9.518 9.491 13.961 128 1HA GLY 37 1HA GLY 37 -8.887 10.914 11.629 129 2HA GLY 37 2HA GLY 37 -10.285 9.891 11.887 130 H THR 38 H THR 38 -12.311 10.814 12.115 131 HA THR 38 HA THR 38 -13.863 12.407 11.984 132 HB THR 38 HB THR 38 -12.147 14.055 13.882 133 HG1 THR 38 1HG THR 38 -12.995 12.421 15.472 134 1HG2 THR 38 1HG2 THR 38 -14.967 13.891 13.164 135 2HG2 THR 38 2HG2 THR 38 -14.759 13.418 14.868 136 3HG2 THR 38 3HG2 THR 38 -14.181 15.006 14.308 137 H THR 39 H THR 39 -11.445 12.517 10.133 138 HA THR 39 HA THR 39 -12.238 14.860 8.778 139 HB THR 39 HB THR 39 -9.800 14.962 10.573 140 HG1 THR 39 1HG THR 39 -11.831 16.792 9.496 141 1HG2 THR 39 1HG2 THR 39 -8.617 15.560 8.618 142 2HG2 THR 39 2HG2 THR 39 -10.084 16.140 7.794 143 3HG2 THR 39 3HG2 THR 39 -9.335 17.125 9.073 144 H LEU 40 H LEU 40 -12.567 13.209 7.199 145 HA LEU 40 HA LEU 40 -10.859 11.332 6.345 146 2HB LEU 40 2HB LEU 40 -13.044 11.602 5.423 147 HG LEU 40 HG LEU 40 -12.107 14.276 4.584 148 1HD1 LEU 40 1HD1 LEU 40 -13.825 12.654 2.689 149 2HD1 LEU 40 2HD1 LEU 40 -13.332 14.355 2.511 150 3HD1 LEU 40 3HD1 LEU 40 -12.113 13.061 2.421 151 1HD2 LEU 40 1HD2 LEU 40 -14.756 12.979 5.227 152 2HD2 LEU 40 2HD2 LEU 40 -13.864 14.213 6.148 153 3HD2 LEU 40 3HD2 LEU 40 -14.628 14.640 4.597 154 H LEU 41 H LEU 41 -8.762 11.269 5.762 155 HA LEU 41 HA LEU 41 -7.552 13.787 4.906 156 2HB LEU 41 2HB LEU 41 -6.655 12.566 6.877 157 HG LEU 41 HG LEU 41 -6.815 10.241 5.538 158 1HD1 LEU 41 1HD1 LEU 41 -5.291 10.595 3.800 159 2HD1 LEU 41 2HD1 LEU 41 -4.102 11.374 4.872 160 3HD1 LEU 41 3HD1 LEU 41 -4.388 9.621 4.985 161 1HD2 LEU 41 1HD2 LEU 41 -5.128 11.197 7.794 162 2HD2 LEU 41 2HD2 LEU 41 -6.408 9.960 7.752 163 3HD2 LEU 41 3HD2 LEU 41 -4.781 9.578 7.140 164 H GLU 42 H GLU 42 -9.215 11.425 3.445 165 HA GLU 42 HA GLU 42 -7.265 11.103 1.307 166 2HB GLU 42 2HB GLU 42 -9.858 9.569 1.379 167 2HG GLU 42 2HG GLU 42 -7.408 8.068 0.924 168 H GLN 43 H GLN 43 -9.132 13.480 2.032 169 HA GLN 43 HA GLN 43 -11.263 13.781 0.518 170 2HB GLN 43 2HB GLN 43 -10.252 16.217 0.072 171 2HG GLN 43 2HG GLN 43 -10.416 16.417 2.792 172 1HE2 GLN 43 1HE2 GLN 43 -12.841 16.483 3.560 173 2HE2 GLN 43 2HE2 GLN 43 -13.948 17.198 2.436 174 H TYR 44 H TYR 44 -7.884 14.338 -0.715 175 HA TYR 44 HA TYR 44 -8.823 13.499 -3.350 176 2HB TYR 44 2HB TYR 44 -8.920 16.017 -3.188 177 HD1 TYR 44 1HD TYR 44 -5.532 16.463 -4.051 178 HD2 TYR 44 2HD TYR 44 -8.145 16.363 -0.665 179 HE1 TYR 44 1HE TYR 44 -3.850 17.812 -2.704 180 HE2 TYR 44 2HE TYR 44 -6.455 17.713 0.670 181 HH TYR 44 HH TYR 44 -4.341 18.394 0.727 182 H CYS 45 H CYS 45 -7.010 12.940 -4.827 183 HA CYS 45 HA CYS 45 -4.391 12.801 -3.742 184 2HB CYS 45 2HB CYS 45 -5.780 10.148 -4.136 185 H HIS 46 H HIS 46 -6.844 11.505 -6.070 186 HA HIS 46 HA HIS 46 -4.847 11.913 -8.176 187 2HB HIS 46 2HB HIS 46 -7.058 9.925 -8.512 188 HD1 HIS 46 1HD HIS 46 -3.397 10.813 -9.165 189 HD2 HIS 46 2HD HIS 46 -6.473 8.450 -10.764 190 HE1 HIS 46 1HE HIS 46 -2.515 9.890 -11.375 191 H ARG 47 H ARG 47 -7.025 11.245 -10.183 192 HA ARG 47 HA ARG 47 -7.863 13.870 -10.557 193 2HB ARG 47 2HB ARG 47 -7.618 12.491 -12.506 194 2HG ARG 47 2HG ARG 47 -9.723 10.555 -12.265 195 2HD ARG 47 2HD ARG 47 -7.772 8.943 -12.408 196 HE ARG 47 HE ARG 47 -8.336 11.051 -14.328 197 1HH1 ARG 47 2HH2 ARG 47 -6.170 8.358 -13.659 198 2HH1 ARG 47 1HH2 ARG 47 -5.775 8.096 -15.326 199 1HH2 ARG 47 2HH1 ARG 47 -7.815 10.705 -16.526 200 2HH2 ARG 47 1HH1 ARG 47 -6.717 9.441 -16.967 201 H THR 48 H THR 48 -9.015 11.390 -8.493 202 HA THR 48 HA THR 48 -10.884 11.060 -7.325 203 HB THR 48 HB THR 48 -10.100 13.701 -7.050 204 HG1 THR 48 1HG THR 48 -11.190 13.280 -5.125 205 1HG2 THR 48 1HG2 THR 48 -12.166 14.140 -8.715 206 2HG2 THR 48 2HG2 THR 48 -13.115 13.844 -7.238 207 3HG2 THR 48 3HG2 THR 48 -11.924 15.166 -7.281 208 H THR 49 H THR 49 -13.459 11.926 -7.299 209 HA THR 49 HA THR 49 -15.398 11.977 -8.432 210 HB THR 49 HB THR 49 -13.704 13.117 -10.268 211 HG1 THR 49 1HG THR 49 -15.749 13.807 -10.761 212 1HG2 THR 49 1HG2 THR 49 -13.605 11.951 -12.277 213 2HG2 THR 49 2HG2 THR 49 -13.633 10.540 -11.193 214 3HG2 THR 49 3HG2 THR 49 -15.136 11.097 -11.968 215 H ILE 50 H ILE 50 -16.882 10.433 -9.362 216 HA ILE 50 HA ILE 50 -16.790 7.978 -8.569 217 HB ILE 50 HB ILE 50 -17.635 7.710 -11.270 218 2HG1 ILE 50 2HG1 ILE 50 -17.349 10.258 -11.202 219 1HG2 ILE 50 1HG2 ILE 50 -19.324 8.310 -8.833 220 2HG2 ILE 50 2HG2 ILE 50 -19.779 7.400 -10.293 221 3HG2 ILE 50 3HG2 ILE 50 -18.588 6.722 -9.157 222 1HD1 ILE 50 1HD1 ILE 50 -19.198 10.535 -12.626 223 2HD1 ILE 50 2HD1 ILE 50 -18.960 8.773 -12.682 224 3HD1 ILE 50 3HD1 ILE 50 -20.234 9.467 -11.651 225 H GLY 51 H GLY 51 -15.385 8.755 -11.835 226 1HA GLY 51 1HA GLY 51 -13.154 6.977 -11.287 227 2HA GLY 51 2HA GLY 51 -14.261 6.432 -12.532 228 H ASN 52 H ASN 52 -12.043 6.718 -13.737 229 HA ASN 52 HA ASN 52 -10.804 8.988 -14.242 230 2HB ASN 52 2HB ASN 52 -11.693 6.810 -16.188 231 1HD2 ASN 52 1HD2 ASN 52 -11.667 7.272 -18.238 232 2HD2 ASN 52 2HD2 ASN 52 -10.709 8.470 -19.041 233 H PHE 53 H PHE 53 -11.811 11.012 -14.466 234 HA PHE 53 HA PHE 53 -12.939 12.649 -15.431 235 2HB PHE 53 2HB PHE 53 -14.182 10.930 -17.558 236 HD1 PHE 53 1HD PHE 53 -11.550 12.053 -19.234 237 HD2 PHE 53 2HD PHE 53 -14.783 13.692 -17.028 238 HE1 PHE 53 1HE PHE 53 -11.376 14.178 -20.558 239 HE2 PHE 53 2HE PHE 53 -14.608 15.818 -18.352 240 HZ PHE 53 HZ PHE 53 -12.908 16.035 -20.102 241 H SER 54 H SER 54 -14.843 9.590 -15.964 242 HA SER 54 HA SER 54 -16.669 10.092 -14.000 243 2HB SER 54 2HB SER 54 -18.569 10.609 -15.950 244 HG SER 54 HG SER 54 -18.780 11.849 -14.164 245 H GLY 55 H GLY 55 -15.632 7.782 -14.391 246 1HA GLY 55 1HA GLY 55 -17.724 6.097 -15.387 247 2HA GLY 55 2HA GLY 55 -16.320 6.095 -16.436 248 HA PRO 56 HA PRO 56 -15.152 4.257 -12.197 249 2HB PRO 56 2HB PRO 56 -16.466 4.852 -10.402 250 2HG PRO 56 2HG PRO 56 -18.527 5.721 -10.964 251 2HD PRO 56 2HD PRO 56 -18.081 6.494 -13.082 252 H TYR 57 H TYR 57 -18.181 2.577 -12.918 253 HA TYR 57 HA TYR 57 -18.485 0.381 -13.292 254 2HB TYR 57 2HB TYR 57 -17.851 1.629 -15.493 255 HD1 TYR 57 1HD TYR 57 -15.488 -1.150 -15.724 256 HD2 TYR 57 2HD TYR 57 -15.860 3.097 -15.366 257 HE1 TYR 57 1HE TYR 57 -13.055 -0.872 -16.411 258 HE2 TYR 57 2HE TYR 57 -13.426 3.361 -16.054 259 HH TYR 57 HH TYR 57 -11.785 1.478 -17.619 260 H THR 58 H THR 58 -16.805 -1.631 -14.412 261 HA THR 58 HA THR 58 -15.479 -2.493 -12.060 262 HB THR 58 HB THR 58 -14.752 -4.342 -13.770 263 HG1 THR 58 1HG THR 58 -15.073 -3.453 -15.788 264 1HG2 THR 58 1HG2 THR 58 -16.665 -5.275 -12.924 265 2HG2 THR 58 2HG2 THR 58 -17.419 -3.675 -12.718 266 3HG2 THR 58 3HG2 THR 58 -17.529 -4.516 -14.284 267 H TYR 59 H TYR 59 -14.045 -0.691 -11.603 268 HA TYR 59 HA TYR 59 -11.523 -1.072 -13.022 269 2HB TYR 59 2HB TYR 59 -13.205 1.002 -13.654 270 HD1 TYR 59 1HD TYR 59 -13.904 1.064 -10.822 271 HD2 TYR 59 2HD TYR 59 -10.975 3.350 -12.942 272 HE1 TYR 59 1HE TYR 59 -14.087 2.917 -9.091 273 HE2 TYR 59 2HE TYR 59 -11.169 5.196 -11.203 274 HH TYR 59 HH TYR 59 -13.651 5.109 -8.752 275 H CYS 60 H CYS 60 -9.680 0.045 -11.796 276 HA CYS 60 HA CYS 60 -10.017 -0.615 -9.026 277 2HB CYS 60 2HB CYS 60 -7.692 -0.508 -8.846 278 H ASN 61 H ASN 61 -10.380 0.868 -7.386 279 HA ASN 61 HA ASN 61 -10.667 3.604 -8.212 280 2HB ASN 61 2HB ASN 61 -11.318 2.101 -5.628 281 1HD2 ASN 61 1HD2 ASN 61 -13.189 4.709 -6.818 282 2HD2 ASN 61 2HD2 ASN 61 -12.776 5.909 -5.640 283 H THR 62 H THR 62 -9.784 5.350 -6.616 284 HA THR 62 HA THR 62 -7.020 4.701 -6.021 285 HB THR 62 HB THR 62 -7.775 6.786 -7.274 286 HG1 THR 62 1HG THR 62 -6.137 7.893 -6.138 287 1HG2 THR 62 1HG2 THR 62 -8.811 8.596 -6.087 288 2HG2 THR 62 2HG2 THR 62 -9.794 7.177 -5.652 289 3HG2 THR 62 3HG2 THR 62 -8.577 7.800 -4.512 290 H THR 63 H THR 63 -6.436 3.834 -4.140 291 HA THR 63 HA THR 63 -7.527 4.991 -1.714 292 HB THR 63 HB THR 63 -9.043 3.038 -2.493 293 HG1 THR 63 1HG THR 63 -8.869 2.199 -0.214 294 1HG2 THR 63 1HG2 THR 63 -8.107 0.987 -2.849 295 2HG2 THR 63 2HG2 THR 63 -6.494 1.702 -2.613 296 3HG2 THR 63 3HG2 THR 63 -7.382 1.031 -1.223 297 H LEU 64 H LEU 64 -6.304 4.317 0.229 298 HA LEU 64 HA LEU 64 -3.522 4.205 -0.462 299 2HB LEU 64 2HB LEU 64 -4.424 5.699 1.272 300 HG LEU 64 HG LEU 64 -5.835 3.585 2.294 301 1HD1 LEU 64 1HD1 LEU 64 -3.565 3.992 4.247 302 2HD1 LEU 64 2HD1 LEU 64 -4.904 2.822 4.327 303 3HD1 LEU 64 3HD1 LEU 64 -3.628 2.630 3.101 304 1HD2 LEU 64 1HD2 LEU 64 -5.289 6.331 2.963 305 2HD2 LEU 64 2HD2 LEU 64 -6.764 5.371 3.224 306 3HD2 LEU 64 3HD2 LEU 64 -5.473 5.367 4.448 307 H ASP 65 H ASP 65 -2.030 2.649 0.737 308 HA ASP 65 HA ASP 65 -3.359 0.060 0.921 309 2HB ASP 65 2HB ASP 65 -0.462 0.287 0.107 310 H GLN 66 H GLN 66 -0.968 -1.372 1.746 311 HA GLN 66 HA GLN 66 -0.983 -0.895 4.438 312 2HB GLN 66 2HB GLN 66 1.376 -2.148 2.992 313 2HG GLN 66 2HG GLN 66 -0.105 -3.125 5.460 314 1HE2 GLN 66 1HE2 GLN 66 1.248 -4.451 6.762 315 2HE2 GLN 66 2HE2 GLN 66 2.551 -5.360 6.074 316 H ILE 67 H ILE 67 1.275 0.275 1.884 317 HA ILE 67 HA ILE 67 2.642 1.865 3.928 318 HB ILE 67 HB ILE 67 4.394 2.142 2.248 319 2HG1 ILE 67 2HG1 ILE 67 2.951 1.997 0.239 320 1HG2 ILE 67 1HG2 ILE 67 4.143 0.129 3.886 321 2HG2 ILE 67 2HG2 ILE 67 3.861 -0.808 2.399 322 3HG2 ILE 67 3HG2 ILE 67 5.385 0.088 2.610 323 1HD1 ILE 67 1HD1 ILE 67 5.261 0.009 0.408 324 2HD1 ILE 67 2HD1 ILE 67 4.518 0.559 -1.113 325 3HD1 ILE 67 3HD1 ILE 67 5.363 1.722 -0.065 326 H GLY 68 H GLY 68 -0.065 2.514 3.126 327 1HA GLY 68 1HA GLY 68 -1.264 4.100 1.941 328 2HA GLY 68 2HA GLY 68 -0.272 5.091 2.992 329 H THR 69 H THR 69 0.356 3.204 -0.059 330 HA THR 69 HA THR 69 1.985 5.390 -1.037 331 HB THR 69 HB THR 69 1.409 2.509 -1.751 332 HG1 THR 69 1HG THR 69 3.876 2.867 -1.897 333 1HG2 THR 69 1HG2 THR 69 1.271 3.457 -3.978 334 2HG2 THR 69 2HG2 THR 69 2.535 4.656 -3.613 335 3HG2 THR 69 3HG2 THR 69 2.960 2.934 -3.776 336 H CYS 70 H CYS 70 -1.175 5.309 -0.684 337 HA CYS 70 HA CYS 70 -2.967 5.815 -1.930 338 2HB CYS 70 2HB CYS 70 -1.449 8.079 -3.119 339 H TRP 71 H TRP 71 -3.165 4.079 -3.452 340 HA TRP 71 HA TRP 71 -1.664 4.265 -5.922 341 2HB TRP 71 2HB TRP 71 -2.782 2.129 -6.447 342 HD1 TRP 71 HD TRP 71 -2.433 1.394 -2.752 343 HE1 TRP 71 1HE TRP 71 -0.095 0.323 -2.160 344 HE3 TRP 71 3HE TRP 71 -0.284 2.305 -7.269 345 HZ2 TRP 71 2HZ TRP 71 2.337 -0.015 -3.616 346 HZ3 TRP 71 3HZ TRP 71 2.076 1.572 -7.602 347 HH2 TRP 71 HH TRP 71 3.378 0.448 -5.865 348 HA PRO 72 HA PRO 72 -4.984 6.505 -7.696 349 2HB PRO 72 2HB PRO 72 -3.548 7.911 -8.819 350 2HG PRO 72 2HG PRO 72 -1.379 7.142 -8.983 351 2HD PRO 72 2HD PRO 72 -1.311 5.724 -7.176 352 H GLN 73 H GLN 73 -6.817 6.227 -8.978 353 HA GLN 73 HA GLN 73 -7.721 3.772 -9.258 354 2HB GLN 73 2HB GLN 73 -9.119 4.665 -11.220 355 2HG GLN 73 2HG GLN 73 -8.919 5.672 -8.456 356 1HE2 GLN 73 1HE2 GLN 73 -7.938 7.763 -8.953 357 2HE2 GLN 73 2HE2 GLN 73 -8.948 9.101 -9.391 358 H SER 74 H SER 74 -8.050 2.273 -11.143 359 HA SER 74 HA SER 74 -6.210 2.548 -13.299 360 2HB SER 74 2HB SER 74 -4.966 0.471 -12.881 361 HG SER 74 HG SER 74 -4.905 1.915 -10.386 362 H ALA 75 H ALA 75 -6.255 -0.180 -14.178 363 HA ALA 75 HA ALA 75 -9.152 -0.605 -14.461 364 1HB ALA 75 1HB ALA 75 -7.417 -1.681 -16.581 365 2HB ALA 75 2HB ALA 75 -8.895 -0.698 -16.706 366 3HB ALA 75 3HB ALA 75 -7.323 0.090 -16.428 367 HA PRO 76 HA PRO 76 -8.479 -4.668 -13.143 368 2HB PRO 76 2HB PRO 76 -10.720 -5.191 -13.231 369 2HG PRO 76 2HG PRO 76 -11.946 -3.925 -14.720 370 2HD PRO 76 2HD PRO 76 -10.626 -2.048 -14.844 371 H GLY 77 H GLY 77 -7.340 -6.610 -13.356 372 1HA GLY 77 1HA GLY 77 -5.852 -7.975 -14.339 373 2HA GLY 77 2HA GLY 77 -6.673 -7.678 -15.858 374 H ALA 78 H ALA 78 -4.946 -5.355 -13.675 375 HA ALA 78 HA ALA 78 -3.173 -4.772 -15.947 376 1HB ALA 78 1HB ALA 78 -4.515 -3.049 -13.865 377 2HB ALA 78 2HB ALA 78 -2.982 -2.520 -14.600 378 3HB ALA 78 3HB ALA 78 -4.406 -2.815 -15.627 379 H LEU 79 H LEU 79 -1.219 -3.301 -14.630 380 HA LEU 79 HA LEU 79 -0.333 -4.914 -12.387 381 2HB LEU 79 2HB LEU 79 1.810 -4.577 -14.324 382 HG LEU 79 HG LEU 79 0.963 -6.532 -12.367 383 1HD1 LEU 79 1HD1 LEU 79 0.186 -7.996 -14.007 384 2HD1 LEU 79 2HD1 LEU 79 1.456 -7.533 -15.166 385 3HD1 LEU 79 3HD1 LEU 79 1.869 -8.515 -13.740 386 1HD2 LEU 79 1HD2 LEU 79 3.185 -6.716 -11.998 387 2HD2 LEU 79 2HD2 LEU 79 3.586 -6.771 -13.732 388 3HD2 LEU 79 3HD2 LEU 79 3.234 -5.211 -12.949 389 H VAL 80 H VAL 80 -0.217 -3.277 -10.917 390 HA VAL 80 HA VAL 80 1.040 -0.788 -11.811 391 HB VAL 80 HB VAL 80 -0.557 -1.372 -9.310 392 1HG1 VAL 80 1HG1 VAL 80 0.344 1.236 -10.580 393 2HG1 VAL 80 2HG1 VAL 80 -0.753 1.097 -9.185 394 3HG1 VAL 80 3HG1 VAL 80 0.930 0.535 -9.052 395 1HG2 VAL 80 1HG2 VAL 80 -1.953 0.348 -11.112 396 2HG2 VAL 80 2HG2 VAL 80 -1.460 -1.108 -12.008 397 3HG2 VAL 80 3HG2 VAL 80 -2.424 -1.262 -10.520 398 H GLU 81 H GLU 81 2.919 -2.691 -11.708 399 HA GLU 81 HA GLU 81 3.950 -2.829 -9.030 400 2HB GLU 81 2HB GLU 81 4.023 -4.785 -10.623 401 2HG GLU 81 2HG GLU 81 6.020 -2.960 -12.032 402 H ARG 82 H ARG 82 6.066 -2.005 -8.403 403 HA ARG 82 HA ARG 82 7.148 -0.067 -10.265 404 2HB ARG 82 2HB ARG 82 7.338 1.636 -8.494 405 2HG ARG 82 2HG ARG 82 4.767 1.694 -7.793 406 2HD ARG 82 2HD ARG 82 6.142 2.173 -10.398 407 HE ARG 82 HE ARG 82 3.504 1.185 -10.538 408 1HH1 ARG 82 2HH2 ARG 82 5.202 4.134 -11.432 409 2HH1 ARG 82 1HH2 ARG 82 4.137 4.501 -12.748 410 1HH2 ARG 82 2HH1 ARG 82 2.098 1.668 -12.274 411 2HH2 ARG 82 1HH1 ARG 82 2.359 3.089 -13.230 412 HA PRO 83 HA PRO 83 10.704 -2.194 -8.771 413 2HB PRO 83 2HB PRO 83 11.530 -2.504 -10.899 414 2HG PRO 83 2HG PRO 83 10.568 -1.161 -12.509 415 2HD PRO 83 2HD PRO 83 8.546 -0.711 -11.513 416 H CYS 84 H CYS 84 12.800 -1.823 -7.728 417 HA CYS 84 HA CYS 84 12.634 -0.003 -5.777 418 2HB CYS 84 2HB CYS 84 15.063 -0.146 -5.540 419 HA PRO 85 HA PRO 85 13.301 3.894 -7.606 420 2HB PRO 85 2HB PRO 85 12.619 5.002 -5.705 421 2HG PRO 85 2HG PRO 85 12.812 3.782 -3.758 422 2HD PRO 85 2HD PRO 85 12.741 1.646 -4.606 423 H GLU 86 H GLU 86 16.090 2.929 -5.669 424 HA GLU 86 HA GLU 86 17.736 3.080 -7.935 425 2HB GLU 86 2HB GLU 86 17.526 5.517 -7.533 426 2HG GLU 86 2HG GLU 86 18.666 4.799 -4.792 427 H TYR 87 H TYR 87 19.619 1.876 -7.580 428 HA TYR 87 HA TYR 87 20.712 0.222 -6.517 429 2HB TYR 87 2HB TYR 87 20.954 2.687 -4.684 430 HD1 TYR 87 1HD TYR 87 21.605 1.989 -2.542 431 HD2 TYR 87 2HD TYR 87 23.408 0.172 -5.969 432 HE1 TYR 87 1HE TYR 87 23.249 0.767 -1.037 433 HE2 TYR 87 2HE TYR 87 25.047 -1.045 -4.453 434 HH TYR 87 HH TYR 87 25.551 -0.182 -1.286 435 H PHE 88 H PHE 88 19.319 -1.398 -5.815 436 HA PHE 88 HA PHE 88 18.281 -1.039 -3.091 437 2HB PHE 88 2HB PHE 88 16.609 -1.262 -5.004 438 HD1 PHE 88 1HD PHE 88 16.620 -4.787 -4.550 439 HD2 PHE 88 2HD PHE 88 18.026 -1.709 -7.112 440 HE1 PHE 88 1HE PHE 88 16.920 -6.461 -6.397 441 HE2 PHE 88 2HE PHE 88 18.326 -3.383 -8.958 442 HZ PHE 88 HZ PHE 88 17.770 -5.739 -8.578 443 H ASN 89 H ASN 89 19.604 -3.421 -5.484 444 HA ASN 89 HA ASN 89 21.485 -4.496 -3.969 445 2HB ASN 89 2HB ASN 89 20.088 -5.212 -2.169 446 1HD2 ASN 89 1HD2 ASN 89 18.127 -4.288 -1.970 447 2HD2 ASN 89 2HD2 ASN 89 16.654 -4.924 -2.623 448 H GLY 90 H GLY 90 21.025 -4.089 -6.676 449 1HA GLY 90 1HA GLY 90 21.716 -6.477 -7.894 450 2HA GLY 90 2HA GLY 90 19.977 -6.336 -8.061 451 H ILE 91 H ILE 91 19.151 -5.084 -9.703 452 HA ILE 91 HA ILE 91 20.238 -2.704 -10.584 453 HB ILE 91 HB ILE 91 22.160 -3.872 -11.348 454 2HG1 ILE 91 2HG1 ILE 91 22.224 -3.196 -13.609 455 1HG2 ILE 91 1HG2 ILE 91 20.186 -5.898 -12.248 456 2HG2 ILE 91 2HG2 ILE 91 21.607 -5.646 -13.290 457 3HG2 ILE 91 3HG2 ILE 91 21.825 -6.096 -11.583 458 1HD1 ILE 91 1HD1 ILE 91 20.471 -3.275 -15.124 459 2HD1 ILE 91 2HD1 ILE 91 19.967 -4.598 -14.045 460 3HD1 ILE 91 3HD1 ILE 91 19.238 -2.983 -13.873 461 H LYS 92 H LYS 92 18.113 -2.024 -10.668 462 HA LYS 92 HA LYS 92 16.688 -2.313 -12.959 463 2HB LYS 92 2HB LYS 92 16.256 -4.588 -12.757 464 2HG LYS 92 2HG LYS 92 16.235 -3.997 -9.813 465 2HD LYS 92 2HD LYS 92 15.144 -6.376 -9.584 466 2HE LYS 92 2HE LYS 92 13.573 -3.846 -10.246 467 1HZ LYS 92 1HZ LYS 92 11.943 -5.217 -8.788 468 2HZ LYS 92 2HZ LYS 92 11.950 -5.391 -10.412 469 3HZ LYS 92 3HZ LYS 92 12.696 -6.496 -9.469 470 H TYR 93 H TYR 93 17.441 -0.339 -11.069 471 HA TYR 93 HA TYR 93 14.841 0.350 -9.876 472 2HB TYR 93 2HB TYR 93 16.705 0.133 -8.261 473 HD1 TYR 93 1HD TYR 93 17.853 3.145 -10.157 474 HD2 TYR 93 2HD TYR 93 18.869 -0.713 -8.612 475 HE1 TYR 93 1HE TYR 93 20.287 3.527 -10.783 476 HE2 TYR 93 2HE TYR 93 21.300 -0.318 -9.245 477 HH TYR 93 HH TYR 93 22.242 2.516 -11.095 478 H ASN 94 H ASN 94 13.863 2.301 -10.391 479 HA ASN 94 HA ASN 94 15.332 3.899 -12.339 480 2HB ASN 94 2HB ASN 94 13.012 4.520 -13.232 481 1HD2 ASN 94 1HD2 ASN 94 15.299 3.347 -14.111 482 2HD2 ASN 94 2HD2 ASN 94 14.960 1.928 -15.044 483 H THR 95 H THR 95 12.087 4.513 -10.910 484 HA THR 95 HA THR 95 12.956 6.127 -8.765 485 HB THR 95 HB THR 95 11.924 8.254 -10.124 486 HG1 THR 95 1HG THR 95 11.721 6.998 -12.090 487 1HG2 THR 95 1HG2 THR 95 14.066 9.093 -10.026 488 2HG2 THR 95 2HG2 THR 95 14.477 7.551 -9.238 489 3HG2 THR 95 3HG2 THR 95 14.720 7.748 -10.991 490 H THR 96 H THR 96 11.420 5.533 -7.370 491 HA THR 96 HA THR 96 8.880 6.425 -7.399 492 HB THR 96 HB THR 96 8.117 5.339 -9.334 493 HG1 THR 96 1HG THR 96 6.869 3.618 -8.440 494 1HG2 THR 96 1HG2 THR 96 8.875 2.657 -9.316 495 2HG2 THR 96 2HG2 THR 96 9.646 3.917 -10.309 496 3HG2 THR 96 3HG2 THR 96 10.351 3.468 -8.738 497 H ARG 97 H ARG 97 9.424 2.905 -7.072 498 HA ARG 97 HA ARG 97 10.419 2.889 -4.548 499 2HB ARG 97 2HB ARG 97 7.510 2.300 -4.149 500 2HG ARG 97 2HG ARG 97 9.577 2.363 -2.449 501 2HD ARG 97 2HD ARG 97 8.621 5.258 -2.612 502 HE ARG 97 HE ARG 97 9.097 3.973 -0.224 503 1HH1 ARG 97 2HH2 ARG 97 10.888 6.404 -2.030 504 2HH1 ARG 97 1HH2 ARG 97 11.593 7.118 -0.619 505 1HH2 ARG 97 2HH1 ARG 97 10.026 4.915 1.640 506 2HH2 ARG 97 1HH1 ARG 97 11.099 6.266 1.483 507 H ASN 98 H ASN 98 10.765 0.705 -3.894 508 HA ASN 98 HA ASN 98 10.307 -1.202 -5.881 509 2HB ASN 98 2HB ASN 98 12.252 -1.487 -4.487 510 1HD2 ASN 98 1HD2 ASN 98 9.727 -2.468 -2.209 511 2HD2 ASN 98 2HD2 ASN 98 10.279 -1.554 -0.846 512 H ALA 99 H ALA 99 8.672 -2.808 -6.018 513 HA ALA 99 HA ALA 99 7.241 -4.007 -4.130 514 1HB ALA 99 1HB ALA 99 6.445 -1.166 -4.297 515 2HB ALA 99 2HB ALA 99 5.088 -2.312 -4.414 516 3HB ALA 99 3HB ALA 99 6.171 -2.356 -3.002 517 H TYR 100 H TYR 100 4.819 -4.530 -4.998 518 HA TYR 100 HA TYR 100 4.605 -4.281 -7.856 519 2HB TYR 100 2HB TYR 100 4.459 -6.954 -7.824 520 HD1 TYR 100 1HD TYR 100 5.578 -6.712 -9.922 521 HD2 TYR 100 2HD TYR 100 7.640 -5.820 -6.282 522 HE1 TYR 100 1HE TYR 100 7.782 -6.608 -11.188 523 HE2 TYR 100 2HE TYR 100 9.837 -5.718 -7.558 524 HH TYR 100 HH TYR 100 10.068 -6.782 -10.833 525 H ARG 101 H ARG 101 2.501 -3.644 -7.951 526 HA ARG 101 HA ARG 101 0.640 -5.289 -6.432 527 2HB ARG 101 2HB ARG 101 -0.553 -2.724 -6.938 528 2HG ARG 101 2HG ARG 101 0.626 -3.356 -4.249 529 2HD ARG 101 2HD ARG 101 -1.879 -2.197 -5.421 530 HE ARG 101 HE ARG 101 -2.246 -4.300 -3.654 531 1HH1 ARG 101 2HH2 ARG 101 -2.733 -0.822 -3.441 532 2HH1 ARG 101 1HH2 ARG 101 -4.031 -0.945 -2.301 533 1HH2 ARG 101 2HH1 ARG 101 -3.958 -4.463 -2.150 534 2HH2 ARG 101 1HH1 ARG 101 -4.732 -3.030 -1.561 535 H GLU 102 H GLU 102 -0.932 -6.260 -7.700 536 HA GLU 102 HA GLU 102 -1.176 -5.214 -10.410 537 2HB GLU 102 2HB GLU 102 -0.267 -7.499 -10.322 538 2HG GLU 102 2HG GLU 102 -2.882 -8.202 -8.905 539 H CYS 103 H CYS 103 -3.422 -5.627 -11.430 540 HA CYS 103 HA CYS 103 -5.443 -5.148 -9.362 541 2HB CYS 103 2HB CYS 103 -6.406 -4.217 -11.842 542 H LEU 104 H LEU 104 -6.809 -6.884 -9.154 543 HA LEU 104 HA LEU 104 -6.750 -9.079 -10.837 544 2HB LEU 104 2HB LEU 104 -9.262 -9.046 -9.597 545 HG LEU 104 HG LEU 104 -6.610 -10.132 -8.621 546 1HD1 LEU 104 1HD1 LEU 104 -8.168 -9.677 -6.736 547 2HD1 LEU 104 2HD1 LEU 104 -9.357 -10.756 -7.507 548 3HD1 LEU 104 3HD1 LEU 104 -7.791 -11.403 -6.958 549 1HD2 LEU 104 1HD2 LEU 104 -8.967 -11.637 -9.771 550 2HD2 LEU 104 2HD2 LEU 104 -7.608 -11.043 -10.755 551 3HD2 LEU 104 3HD2 LEU 104 -7.318 -12.232 -9.462 552 H GLU 105 H GLU 105 -8.811 -9.952 -12.010 553 HA GLU 105 HA GLU 105 -9.365 -8.025 -14.025 554 2HB GLU 105 2HB GLU 105 -8.928 -10.412 -14.558 555 2HG GLU 105 2HG GLU 105 -11.579 -10.847 -13.104 556 H ASN 106 H ASN 106 -10.591 -8.365 -10.990 557 HA ASN 106 HA ASN 106 -13.351 -8.038 -11.785 558 2HB ASN 106 2HB ASN 106 -12.901 -7.759 -8.919 559 1HD2 ASN 106 1HD2 ASN 106 -13.324 -10.416 -11.260 560 2HD2 ASN 106 2HD2 ASN 106 -14.934 -10.859 -10.800 561 H GLY 107 H GLY 107 -10.596 -6.172 -11.470 562 1HA GLY 107 1HA GLY 107 -10.410 -3.899 -11.547 563 2HA GLY 107 2HA GLY 107 -12.103 -3.728 -11.127 564 H THR 108 H THR 108 -10.043 -5.872 -9.197 565 HA THR 108 HA THR 108 -10.238 -3.931 -6.998 566 HB THR 108 HB THR 108 -9.919 -6.071 -5.615 567 HG1 THR 108 1HG THR 108 -10.244 -8.017 -6.991 568 1HG2 THR 108 1HG2 THR 108 -12.200 -6.167 -5.573 569 2HG2 THR 108 2HG2 THR 108 -12.261 -5.219 -7.079 570 3HG2 THR 108 3HG2 THR 108 -12.189 -6.997 -7.148 571 H TRP 109 H TRP 109 -8.372 -4.397 -5.287 572 HA TRP 109 HA TRP 109 -5.928 -3.973 -6.821 573 2HB TRP 109 2HB TRP 109 -5.230 -3.432 -4.282 574 HD1 TRP 109 HD TRP 109 -7.449 -0.605 -4.573 575 HE1 TRP 109 1HE TRP 109 -6.524 1.398 -6.023 576 HE3 TRP 109 3HE TRP 109 -3.760 -3.265 -6.846 577 HZ2 TRP 109 2HZ TRP 109 -4.401 1.638 -7.914 578 HZ3 TRP 109 3HZ TRP 109 -2.305 -2.072 -8.481 579 HH2 TRP 109 HH TRP 109 -2.579 0.296 -9.027 580 H ALA 110 H ALA 110 -3.981 -4.778 -5.026 581 HA ALA 110 HA ALA 110 -4.253 -7.648 -5.205 582 1HB ALA 110 1HB ALA 110 -1.928 -7.679 -5.019 583 2HB ALA 110 2HB ALA 110 -2.204 -6.098 -5.790 584 3HB ALA 110 3HB ALA 110 -1.881 -6.192 -4.042 585 H SER 111 H SER 111 -2.271 -7.793 -2.819 586 HA SER 111 HA SER 111 -4.380 -8.060 -0.877 587 2HB SER 111 2HB SER 111 -3.174 -9.959 -0.555 588 HG SER 111 HG SER 111 -0.631 -9.632 -1.053 589 H ARG 112 H ARG 112 -1.205 -6.400 -1.360 590 HA ARG 112 HA ARG 112 -1.867 -4.099 -0.183 591 2HB ARG 112 2HB ARG 112 -0.349 -4.723 2.074 592 2HG ARG 112 2HG ARG 112 -3.209 -4.214 1.453 593 2HD ARG 112 2HD ARG 112 -2.548 -5.226 4.240 594 HE ARG 112 HE ARG 112 -4.879 -4.119 2.991 595 1HH1 ARG 112 2HH2 ARG 112 -3.950 -6.742 5.144 596 2HH1 ARG 112 1HH2 ARG 112 -5.487 -6.802 5.941 597 1HH2 ARG 112 2HH1 ARG 112 -6.906 -4.199 4.041 598 2HH2 ARG 112 1HH1 ARG 112 -7.180 -5.347 5.308 599 H VAL 113 H VAL 113 -0.290 -4.829 -2.309 600 HA VAL 113 HA VAL 113 1.726 -4.739 -3.236 601 HB VAL 113 HB VAL 113 1.157 -2.391 -2.165 602 1HG1 VAL 113 1HG1 VAL 113 3.207 -1.592 -0.881 603 2HG1 VAL 113 2HG1 VAL 113 2.082 -2.649 0.005 604 3HG1 VAL 113 3HG1 VAL 113 3.605 -3.310 -0.638 605 1HG2 VAL 113 1HG2 VAL 113 2.310 -1.997 -4.048 606 2HG2 VAL 113 2HG2 VAL 113 3.745 -1.879 -3.002 607 3HG2 VAL 113 3HG2 VAL 113 3.357 -3.417 -3.809 608 H ASN 114 H ASN 114 4.313 -4.542 -2.573 609 HA ASN 114 HA ASN 114 5.300 -5.439 -0.290 610 2HB ASN 114 2HB ASN 114 5.396 -8.059 -1.476 611 1HD2 ASN 114 1HD2 ASN 114 3.736 -5.876 0.758 612 2HD2 ASN 114 2HD2 ASN 114 3.918 -6.831 2.193 613 H TYR 115 H TYR 115 7.581 -6.282 -0.587 614 HA TYR 115 HA TYR 115 8.474 -5.950 -3.372 615 2HB TYR 115 2HB TYR 115 10.154 -4.582 -2.461 616 HD1 TYR 115 1HD TYR 115 10.336 -4.310 0.814 617 HD2 TYR 115 2HD TYR 115 7.334 -3.775 -2.188 618 HE1 TYR 115 1HE TYR 115 9.120 -2.655 2.313 619 HE2 TYR 115 2HE TYR 115 6.129 -2.122 -0.679 620 HH TYR 115 HH TYR 115 5.947 -1.500 1.521 621 H SER 116 H SER 116 8.311 -8.205 -3.881 622 HA SER 116 HA SER 116 9.984 -9.915 -2.237 623 2HB SER 116 2HB SER 116 8.468 -11.143 -4.473 624 HG SER 116 HG SER 116 9.026 -12.653 -3.013 625 H HIS 117 H HIS 117 9.634 -8.410 -5.428 626 HA HIS 117 HA HIS 117 11.837 -9.998 -6.463 627 2HB HIS 117 2HB HIS 117 11.283 -9.015 -8.617 628 HD1 HIS 117 1HD HIS 117 10.615 -11.741 -7.880 629 HD2 HIS 117 2HD HIS 117 7.599 -8.842 -8.186 630 HE1 HIS 117 1HE HIS 117 8.429 -13.015 -8.210 631 H CYS 118 H CYS 118 11.526 -7.414 -4.459 632 HA CYS 118 HA CYS 118 13.824 -6.055 -5.670 633 2HB CYS 118 2HB CYS 118 12.571 -4.432 -3.677 634 H GLU 119 H GLU 119 15.280 -7.601 -4.635 635 HA GLU 119 HA GLU 119 16.433 -6.859 -2.386 636 2HB GLU 119 2HB GLU 119 15.237 -8.985 -0.970 637 2HG GLU 119 2HG GLU 119 15.028 -5.955 -0.826 638 HA PRO 120 HA PRO 120 17.318 -11.423 -3.358 639 2HB PRO 120 2HB PRO 120 15.514 -12.854 -3.406 640 2HG PRO 120 2HG PRO 120 13.480 -11.828 -3.764 641 2HD PRO 120 2HD PRO 120 13.955 -9.707 -3.016 642 H ILE 121 H ILE 121 17.801 -12.892 -5.571 643 HA ILE 121 HA ILE 121 19.405 -12.729 -7.148 644 HB ILE 121 HB ILE 121 17.068 -12.714 -8.164 645 2HG1 ILE 121 2HG1 ILE 121 17.944 -12.844 -10.326 646 1HG2 ILE 121 1HG2 ILE 121 16.231 -10.818 -9.227 647 2HG2 ILE 121 2HG2 ILE 121 16.823 -10.194 -7.667 648 3HG2 ILE 121 3HG2 ILE 121 17.788 -9.959 -9.145 649 1HD1 ILE 121 1HD1 ILE 121 19.921 -10.722 -9.400 650 2HD1 ILE 121 2HD1 ILE 121 20.179 -11.685 -10.874 651 3HD1 ILE 121 3HD1 ILE 121 18.755 -10.625 -10.742 652 H LEU 122 H LEU 122 21.124 -11.600 -6.156 653 HA LEU 122 HA LEU 122 21.228 -8.766 -6.919 654 2HB LEU 122 2HB LEU 122 20.900 -9.138 -4.485 655 HG LEU 122 HG LEU 122 22.721 -11.152 -4.576 656 1HD1 LEU 122 1HD1 LEU 122 24.590 -9.672 -5.087 657 2HD1 LEU 122 2HD1 LEU 122 24.252 -8.716 -3.623 658 3HD1 LEU 122 3HD1 LEU 122 24.784 -10.408 -3.478 659 1HD2 LEU 122 1HD2 LEU 122 22.718 -9.717 -2.000 660 2HD2 LEU 122 2HD2 LEU 122 21.110 -10.013 -2.704 661 3HD2 LEU 122 3HD2 LEU 122 22.214 -11.377 -2.401 662 H ASP 123 H ASP 123 23.651 -8.005 -6.957 663 HA ASP 123 HA ASP 123 25.649 -9.846 -7.356 664 2HB ASP 123 2HB ASP 123 24.174 -8.978 -9.873 665 H ASP 124 H ASP 124 27.047 -8.297 -6.426 666 HA ASP 124 HA ASP 124 27.264 -5.797 -7.908 667 2HB ASP 124 2HB ASP 124 27.961 -5.971 -4.969 668 H LYS 125 H LYS 125 28.804 -7.944 -8.696 669 HA LYS 125 HA LYS 125 31.431 -7.064 -8.160 670 2HB LYS 125 2HB LYS 125 31.506 -9.820 -7.308 671 2HG LYS 125 2HG LYS 125 32.201 -7.183 -5.929 672 2HD LYS 125 2HD LYS 125 32.031 -9.610 -4.693 673 2HE LYS 125 2HE LYS 125 34.075 -10.085 -6.522 674 1HZ LYS 125 1HZ LYS 125 35.281 -9.465 -3.915 675 2HZ LYS 125 2HZ LYS 125 36.050 -10.085 -5.216 676 3HZ LYS 125 3HZ LYS 125 35.473 -8.558 -5.259 677 H GLN 126 H GLN 126 32.988 -8.129 -9.576 678 HA GLN 126 HA GLN 126 32.125 -8.550 -12.054 679 2HB GLN 126 2HB GLN 126 34.440 -8.359 -11.868 680 2HG GLN 126 2HG GLN 126 34.090 -10.260 -9.561 681 1HE2 GLN 126 1HE2 GLN 126 36.996 -9.293 -9.111 682 2HE2 GLN 126 2HE2 GLN 126 37.974 -10.514 -9.855 683 H ARG 127 H ARG 127 31.262 -10.208 -13.318 684 HA ARG 127 HA ARG 127 30.499 -12.554 -11.796 685 2HB ARG 127 2HB ARG 127 29.388 -11.998 -14.546 686 2HG ARG 127 2HG ARG 127 28.018 -12.764 -11.929 687 2HD ARG 127 2HD ARG 127 26.582 -11.887 -13.827 688 HE ARG 127 HE ARG 127 28.219 -13.493 -15.456 689 1HH1 ARG 127 2HH2 ARG 127 24.767 -13.100 -14.900 690 2HH1 ARG 127 1HH2 ARG 127 24.324 -13.572 -16.507 691 1HH2 ARG 127 2HH1 ARG 127 27.636 -14.116 -17.576 692 2HH2 ARG 127 1HH1 ARG 127 25.968 -14.154 -18.039 693 H LYS 128 H LYS 128 30.601 -14.709 -12.916 694 HA LYS 128 HA LYS 128 33.073 -15.235 -13.980 695 2HB LYS 128 2HB LYS 128 31.285 -17.208 -14.949 696 2HG LYS 128 2HG LYS 128 32.461 -17.424 -12.200 697 2HD LYS 128 2HD LYS 128 32.821 -19.097 -14.728 698 2HE LYS 128 2HE LYS 128 32.968 -20.264 -11.981 699 1HZ LYS 128 1HZ LYS 128 33.461 -21.633 -13.780 700 2HZ LYS 128 2HZ LYS 128 34.417 -20.530 -14.512 701 3HZ LYS 128 3HZ LYS 128 34.922 -21.269 -13.147 702 H TYR 129 H TYR 129 33.897 -14.176 -15.726 703 HA TYR 129 HA TYR 129 32.148 -13.802 -18.034 704 2HB TYR 129 2HB TYR 129 35.059 -12.937 -17.725 705 HD1 TYR 129 1HD TYR 129 31.658 -11.399 -18.195 706 HD2 TYR 129 2HD TYR 129 35.643 -11.854 -19.684 707 HE1 TYR 129 1HE TYR 129 31.127 -9.824 -20.118 708 HE2 TYR 129 2HE TYR 129 35.098 -10.277 -21.602 709 HH TYR 129 HH TYR 129 33.404 -8.351 -21.922 710 H ASP 130 H ASP 130 33.128 -14.182 -20.241 711 HA ASP 130 HA ASP 130 34.116 -16.824 -20.293 712 2HB ASP 130 2HB ASP 130 32.586 -16.036 -22.030 713 H LEU 131 H LEU 131 36.241 -17.516 -21.030 714 HA LEU 131 HA LEU 131 38.222 -15.346 -21.089 715 2HB LEU 131 2HB LEU 131 38.306 -16.822 -19.104 716 HG LEU 131 HG LEU 131 38.158 -18.962 -20.984 717 1HD1 LEU 131 1HD1 LEU 131 40.620 -18.714 -21.170 718 2HD1 LEU 131 2HD1 LEU 131 40.751 -18.997 -19.417 719 3HD1 LEU 131 3HD1 LEU 131 40.116 -20.275 -20.481 720 1HD2 LEU 131 1HD2 LEU 131 37.250 -18.601 -18.563 721 2HD2 LEU 131 2HD2 LEU 131 37.664 -20.238 -19.128 722 3HD2 LEU 131 3HD2 LEU 131 38.790 -19.347 -18.076 723 H HIS 132 H HIS 132 40.104 -15.701 -22.518 724 HA HIS 132 HA HIS 132 39.211 -17.082 -24.920 725 2HB HIS 132 2HB HIS 132 41.547 -15.696 -25.522 726 HD1 HIS 132 1HD HIS 132 39.675 -12.851 -25.671 727 HD2 HIS 132 2HD HIS 132 39.018 -16.646 -27.334 728 HE1 HIS 132 1HE HIS 132 38.083 -12.505 -27.634 729 HE2 HIS 132 2HE HIS 132 37.760 -14.863 -28.650 730 H TYR 133 H TYR 133 40.811 -18.383 -26.163 731 HA TYR 133 HA TYR 133 41.863 -20.434 -24.741 732 2HB TYR 133 2HB TYR 133 43.290 -19.290 -27.184 733 HD1 TYR 133 1HD TYR 133 40.954 -21.947 -27.767 734 HD2 TYR 133 2HD TYR 133 44.916 -21.123 -26.379 735 HE1 TYR 133 1HE TYR 133 41.613 -24.367 -28.187 736 HE2 TYR 133 2HE TYR 133 45.561 -23.544 -26.802 737 HH TYR 133 HH TYR 133 44.834 -25.377 -28.219 Start of MODEL 18 1 1H GLY 15 H GLY 15 29.909 49.261 -22.720 2 1HA GLY 15 1HA GLY 15 31.008 50.313 -20.872 3 2HA GLY 15 2HA GLY 15 31.599 51.559 -21.953 4 H SER 16 H SER 16 28.918 50.444 -19.981 5 HA SER 16 HA SER 16 27.156 51.469 -19.224 6 2HB SER 16 2HB SER 16 27.075 54.067 -20.356 7 HG SER 16 HG SER 16 27.565 54.700 -18.274 8 H GLY 17 H GLY 17 24.949 51.641 -19.875 9 1HA GLY 17 1HA GLY 17 24.449 51.936 -22.762 10 2HA GLY 17 2HA GLY 17 23.881 50.505 -21.922 11 H MET 18 H MET 18 21.695 50.687 -21.648 12 HA MET 18 HA MET 18 20.789 53.119 -20.340 13 2HB MET 18 2HB MET 18 20.270 53.305 -22.785 14 2HG MET 18 2HG MET 18 18.209 51.266 -22.941 15 1HE MET 18 1HE MET 18 19.274 53.597 -25.714 16 2HE MET 18 2HE MET 18 18.037 52.342 -25.964 17 3HE MET 18 3HE MET 18 18.145 53.187 -24.400 18 H LYS 19 H LYS 19 18.332 52.745 -19.616 19 HA LYS 19 HA LYS 19 17.949 49.946 -18.880 20 2HB LYS 19 2HB LYS 19 17.371 51.841 -16.700 21 2HG LYS 19 2HG LYS 19 18.852 49.183 -16.969 22 2HD LYS 19 2HD LYS 19 18.834 51.117 -14.800 23 2HE LYS 19 2HE LYS 19 16.967 48.860 -14.508 24 1HZ LYS 19 1HZ LYS 19 19.415 48.777 -13.088 25 2HZ LYS 19 2HZ LYS 19 18.136 48.873 -12.079 26 3HZ LYS 19 3HZ LYS 19 18.227 47.661 -13.169 27 H GLU 20 H GLU 20 15.648 49.838 -17.680 28 HA GLU 20 HA GLU 20 13.871 51.772 -18.886 29 2HB GLU 20 2HB GLU 20 12.913 48.976 -19.170 30 2HG GLU 20 2HG GLU 20 11.837 51.147 -20.064 31 H THR 21 H THR 21 11.459 51.147 -18.113 32 HA THR 21 HA THR 21 11.700 50.367 -15.280 33 HB THR 21 HB THR 21 11.215 52.837 -15.867 34 HG1 THR 21 1HG THR 21 9.978 50.938 -14.219 35 1HG2 THR 21 1HG2 THR 21 9.525 52.153 -17.747 36 2HG2 THR 21 2HG2 THR 21 8.415 51.762 -16.412 37 3HG2 THR 21 3HG2 THR 21 9.013 53.426 -16.615 38 H ALA 22 H ALA 22 10.963 48.361 -14.975 39 HA ALA 22 HA ALA 22 9.524 46.847 -16.672 40 1HB ALA 22 1HB ALA 22 10.525 46.571 -14.151 41 2HB ALA 22 2HB ALA 22 8.778 46.562 -13.807 42 3HB ALA 22 3HB ALA 22 9.469 45.371 -14.935 43 H ALA 23 H ALA 23 7.913 48.335 -13.776 44 HA ALA 23 HA ALA 23 5.908 49.233 -13.513 45 1HB ALA 23 1HB ALA 23 5.550 50.898 -14.978 46 2HB ALA 23 2HB ALA 23 6.802 50.192 -16.027 47 3HB ALA 23 3HB ALA 23 5.095 49.736 -16.247 48 H ALA 24 H ALA 24 3.455 48.968 -14.358 49 HA ALA 24 HA ALA 24 1.756 47.608 -14.779 50 1HB ALA 24 1HB ALA 24 1.993 46.626 -16.783 51 2HB ALA 24 2HB ALA 24 3.760 46.800 -16.660 52 3HB ALA 24 3HB ALA 24 2.964 45.332 -16.041 53 H LYS 25 H LYS 25 0.687 46.130 -13.480 54 HA LYS 25 HA LYS 25 1.946 43.888 -12.359 55 2HB LYS 25 2HB LYS 25 3.167 45.586 -11.051 56 2HG LYS 25 2HG LYS 25 0.402 46.286 -9.955 57 2HD LYS 25 2HD LYS 25 2.833 46.377 -8.635 58 2HE LYS 25 2HE LYS 25 2.847 49.152 -8.700 59 1HZ LYS 25 1HZ LYS 25 4.744 48.345 -10.469 60 2HZ LYS 25 2HZ LYS 25 4.926 48.479 -8.852 61 3HZ LYS 25 3HZ LYS 25 4.524 47.040 -9.513 62 H PHE 26 H PHE 26 0.287 42.481 -12.237 63 HA PHE 26 HA PHE 26 -2.068 43.087 -10.837 64 2HB PHE 26 2HB PHE 26 -3.045 42.499 -13.500 65 HD1 PHE 26 1HD PHE 26 -2.440 46.006 -13.114 66 HD2 PHE 26 2HD PHE 26 -4.975 42.834 -11.884 67 HE1 PHE 26 1HE PHE 26 -4.178 47.672 -12.401 68 HE2 PHE 26 2HE PHE 26 -6.713 44.499 -11.172 69 HZ PHE 26 HZ PHE 26 -6.294 46.898 -11.438 70 H GLU 27 H GLU 27 -3.838 41.260 -11.483 71 HA GLU 27 HA GLU 27 -4.317 39.143 -11.518 72 2HB GLU 27 2HB GLU 27 -2.617 37.616 -12.908 73 2HG GLU 27 2HG GLU 27 -4.334 39.862 -14.061 74 H ARG 28 H ARG 28 -4.087 37.409 -10.080 75 HA ARG 28 HA ARG 28 -1.566 37.430 -8.626 76 2HB ARG 28 2HB ARG 28 -4.130 36.278 -7.484 77 2HG ARG 28 2HG ARG 28 -1.454 37.045 -6.529 78 2HD ARG 28 2HD ARG 28 -3.801 37.878 -4.773 79 HE ARG 28 HE ARG 28 -1.939 37.800 -3.342 80 1HH1 ARG 28 2HH2 ARG 28 -1.034 39.354 -6.367 81 2HH1 ARG 28 1HH2 ARG 28 0.517 39.863 -5.789 82 1HH2 ARG 28 2HH1 ARG 28 0.108 38.471 -2.579 83 2HH2 ARG 28 1HH1 ARG 28 1.171 39.357 -3.620 84 H GLN 29 H GLN 29 -1.418 35.100 -7.340 85 HA GLN 29 HA GLN 29 -1.620 33.163 -9.489 86 2HB GLN 29 2HB GLN 29 -0.180 32.331 -7.050 87 2HG GLN 29 2HG GLN 29 -0.149 31.600 -9.675 88 1HE2 GLN 29 1HE2 GLN 29 1.999 31.373 -10.995 89 2HE2 GLN 29 2HE2 GLN 29 2.710 32.865 -11.516 90 H HIS 30 H HIS 30 -2.061 33.345 -5.878 91 HA HIS 30 HA HIS 30 -3.428 32.303 -4.516 92 2HB HIS 30 2HB HIS 30 -5.364 31.853 -6.782 93 HD1 HIS 30 1HD HIS 30 -6.358 34.187 -4.143 94 HD2 HIS 30 2HD HIS 30 -6.408 30.029 -4.691 95 HE1 HIS 30 1HE HIS 30 -7.987 33.258 -2.413 96 H MET 31 H MET 31 -4.277 30.159 -3.843 97 HA MET 31 HA MET 31 -4.154 27.970 -5.538 98 2HB MET 31 2HB MET 31 -1.985 27.286 -3.779 99 2HG MET 31 2HG MET 31 -1.446 28.094 -6.631 100 1HE MET 31 1HE MET 31 1.209 26.427 -7.362 101 2HE MET 31 2HE MET 31 0.543 27.995 -6.847 102 3HE MET 31 3HE MET 31 1.746 27.162 -5.832 103 H ASP 32 H ASP 32 -3.543 29.152 -2.174 104 HA ASP 32 HA ASP 32 -4.322 28.541 -0.246 105 2HB ASP 32 2HB ASP 32 -6.577 27.552 -2.025 106 H SER 33 H SER 33 -4.958 26.506 1.170 107 HA SER 33 HA SER 33 -3.903 24.117 -0.129 108 2HB SER 33 2HB SER 33 -2.395 23.750 1.553 109 HG SER 33 HG SER 33 -1.404 25.619 1.890 110 HA PRO 34 HA PRO 34 -7.615 22.384 1.371 111 2HB PRO 34 2HB PRO 34 -7.689 20.869 -0.362 112 2HG PRO 34 2HG PRO 34 -5.668 20.507 -1.412 113 2HD PRO 34 2HD PRO 34 -4.590 22.475 -0.912 114 H ASP 35 H ASP 35 -8.529 20.655 2.881 115 HA ASP 35 HA ASP 35 -7.409 19.196 4.610 116 2HB ASP 35 2HB ASP 35 -5.540 20.671 5.091 117 H LEU 36 H LEU 36 -7.993 20.943 7.179 118 HA LEU 36 HA LEU 36 -9.751 21.187 8.508 119 2HB LEU 36 2HB LEU 36 -11.530 22.468 6.617 120 HG LEU 36 HG LEU 36 -10.033 23.247 9.079 121 1HD1 LEU 36 1HD1 LEU 36 -9.774 24.968 7.036 122 2HD1 LEU 36 2HD1 LEU 36 -11.364 25.482 7.648 123 3HD1 LEU 36 3HD1 LEU 36 -9.951 25.482 8.731 124 1HD2 LEU 36 1HD2 LEU 36 -12.784 24.191 8.538 125 2HD2 LEU 36 2HD2 LEU 36 -12.572 22.426 8.631 126 3HD2 LEU 36 3HD2 LEU 36 -12.079 23.454 9.998 127 H GLY 37 H GLY 37 -10.157 18.888 8.669 128 1HA GLY 37 1HA GLY 37 -12.762 18.116 8.368 129 2HA GLY 37 2HA GLY 37 -11.995 17.622 6.872 130 H THR 38 H THR 38 -12.891 15.520 8.176 131 HA THR 38 HA THR 38 -11.339 14.526 10.286 132 HB THR 38 HB THR 38 -12.898 13.025 8.117 133 HG1 THR 38 1HG THR 38 -14.665 13.517 9.561 134 1HG2 THR 38 1HG2 THR 38 -11.590 12.227 10.629 135 2HG2 THR 38 2HG2 THR 38 -13.349 11.965 10.702 136 3HG2 THR 38 3HG2 THR 38 -12.388 11.205 9.410 137 H THR 39 H THR 39 -11.165 12.031 8.089 138 HA THR 39 HA THR 39 -8.728 12.729 6.780 139 HB THR 39 HB THR 39 -7.797 12.464 9.035 140 HG1 THR 39 1HG THR 39 -6.488 10.543 8.470 141 1HG2 THR 39 1HG2 THR 39 -8.092 10.434 10.345 142 2HG2 THR 39 2HG2 THR 39 -9.724 11.010 9.931 143 3HG2 THR 39 3HG2 THR 39 -9.005 9.654 9.032 144 H LEU 40 H LEU 40 -10.750 12.075 5.370 145 HA LEU 40 HA LEU 40 -11.479 9.398 5.219 146 2HB LEU 40 2HB LEU 40 -12.637 9.986 3.350 147 HG LEU 40 HG LEU 40 -13.639 12.023 3.600 148 1HD1 LEU 40 1HD1 LEU 40 -12.452 12.565 6.199 149 2HD1 LEU 40 2HD1 LEU 40 -14.094 12.024 5.777 150 3HD1 LEU 40 3HD1 LEU 40 -12.786 10.832 5.966 151 1HD2 LEU 40 1HD2 LEU 40 -12.395 13.771 2.992 152 2HD2 LEU 40 2HD2 LEU 40 -11.967 13.919 4.714 153 3HD2 LEU 40 3HD2 LEU 40 -10.896 13.031 3.603 154 H LEU 41 H LEU 41 -10.984 8.585 2.556 155 HA LEU 41 HA LEU 41 -8.064 8.278 2.577 156 2HB LEU 41 2HB LEU 41 -8.254 5.983 2.053 157 HG LEU 41 HG LEU 41 -10.082 6.753 4.318 158 1HD1 LEU 41 1HD1 LEU 41 -10.206 4.354 4.944 159 2HD1 LEU 41 2HD1 LEU 41 -11.089 4.747 3.448 160 3HD1 LEU 41 3HD1 LEU 41 -9.506 3.937 3.362 161 1HD2 LEU 41 1HD2 LEU 41 -7.616 7.010 4.540 162 2HD2 LEU 41 2HD2 LEU 41 -8.330 5.878 5.712 163 3HD2 LEU 41 3HD2 LEU 41 -7.449 5.254 4.297 164 H GLU 42 H GLU 42 -10.618 9.701 1.072 165 HA GLU 42 HA GLU 42 -9.395 9.260 -1.540 166 2HB GLU 42 2HB GLU 42 -12.197 10.246 -1.518 167 2HG GLU 42 2HG GLU 42 -10.375 8.629 -3.167 168 H GLN 43 H GLN 43 -9.270 11.309 0.914 169 HA GLN 43 HA GLN 43 -10.225 13.721 0.113 170 2HB GLN 43 2HB GLN 43 -9.305 13.486 2.313 171 2HG GLN 43 2HG GLN 43 -6.463 13.272 1.385 172 1HE2 GLN 43 1HE2 GLN 43 -9.102 11.829 3.296 173 2HE2 GLN 43 2HE2 GLN 43 -8.263 11.759 4.811 174 H TYR 44 H TYR 44 -6.997 12.239 -0.633 175 HA TYR 44 HA TYR 44 -6.778 14.181 -2.835 176 2HB TYR 44 2HB TYR 44 -4.377 14.163 -2.338 177 HD1 TYR 44 1HD TYR 44 -3.653 13.349 0.712 178 HD2 TYR 44 2HD TYR 44 -6.612 15.796 -1.174 179 HE1 TYR 44 1HE TYR 44 -3.838 14.760 2.818 180 HE2 TYR 44 2HE TYR 44 -6.787 17.199 0.938 181 HH TYR 44 HH TYR 44 -4.506 17.077 3.376 182 H CYS 45 H CYS 45 -5.030 13.279 -4.506 183 HA CYS 45 HA CYS 45 -4.405 11.723 -5.938 184 2HB CYS 45 2HB CYS 45 -4.398 9.379 -5.433 185 H HIS 46 H HIS 46 -5.822 12.404 -7.587 186 HA HIS 46 HA HIS 46 -7.859 10.641 -8.312 187 2HB HIS 46 2HB HIS 46 -9.107 13.275 -7.681 188 HD1 HIS 46 1HD HIS 46 -11.570 12.301 -6.329 189 HD2 HIS 46 2HD HIS 46 -9.725 10.103 -9.388 190 HE1 HIS 46 1HE HIS 46 -13.365 10.759 -7.282 191 H ARG 47 H ARG 47 -8.310 10.893 -10.503 192 HA ARG 47 HA ARG 47 -7.166 13.301 -11.671 193 2HB ARG 47 2HB ARG 47 -5.744 11.406 -12.257 194 2HG ARG 47 2HG ARG 47 -8.190 10.025 -13.438 195 2HD ARG 47 2HD ARG 47 -5.945 9.369 -14.331 196 HE ARG 47 HE ARG 47 -5.125 8.311 -11.689 197 1HH1 ARG 47 2HH2 ARG 47 -4.710 10.791 -14.150 198 2HH1 ARG 47 1HH2 ARG 47 -3.154 11.286 -13.572 199 1HH2 ARG 47 2HH1 ARG 47 -3.073 8.962 -10.926 200 2HH2 ARG 47 1HH1 ARG 47 -2.216 10.238 -11.725 201 H THR 48 H THR 48 -9.496 10.555 -12.181 202 HA THR 48 HA THR 48 -11.690 12.165 -12.695 203 HB THR 48 HB THR 48 -10.445 12.924 -14.704 204 HG1 THR 48 1HG THR 48 -12.763 12.526 -14.867 205 1HG2 THR 48 1HG2 THR 48 -9.033 10.849 -15.039 206 2HG2 THR 48 2HG2 THR 48 -10.506 9.969 -15.514 207 3HG2 THR 48 3HG2 THR 48 -9.917 11.321 -16.510 208 H THR 49 H THR 49 -13.571 10.903 -13.531 209 HA THR 49 HA THR 49 -13.127 8.014 -13.374 210 HB THR 49 HB THR 49 -15.060 7.885 -11.753 211 HG1 THR 49 1HG THR 49 -15.858 10.058 -12.467 212 1HG2 THR 49 1HG2 THR 49 -12.409 8.891 -11.158 213 2HG2 THR 49 2HG2 THR 49 -13.582 9.761 -10.139 214 3HG2 THR 49 3HG2 THR 49 -13.503 7.983 -10.087 215 H ILE 50 H ILE 50 -14.370 6.817 -14.741 216 HA ILE 50 HA ILE 50 -15.376 7.816 -16.987 217 HB ILE 50 HB ILE 50 -16.368 5.462 -15.385 218 2HG1 ILE 50 2HG1 ILE 50 -13.920 5.715 -16.291 219 1HG2 ILE 50 1HG2 ILE 50 -17.310 4.619 -17.516 220 2HG2 ILE 50 2HG2 ILE 50 -18.136 6.076 -16.909 221 3HG2 ILE 50 3HG2 ILE 50 -16.982 6.204 -18.259 222 1HD1 ILE 50 1HD1 ILE 50 -15.807 3.444 -16.159 223 2HD1 ILE 50 2HD1 ILE 50 -14.441 3.163 -17.265 224 3HD1 ILE 50 3HD1 ILE 50 -14.135 3.569 -15.560 225 H GLY 51 H GLY 51 -16.666 9.559 -17.285 226 1HA GLY 51 1HA GLY 51 -18.476 10.885 -17.186 227 2HA GLY 51 2HA GLY 51 -19.384 9.503 -16.607 228 H ASN 52 H ASN 52 -19.534 12.373 -15.766 229 HA ASN 52 HA ASN 52 -18.357 12.391 -13.166 230 2HB ASN 52 2HB ASN 52 -20.204 14.512 -13.293 231 1HD2 ASN 52 1HD2 ASN 52 -18.619 16.220 -15.049 232 2HD2 ASN 52 2HD2 ASN 52 -17.093 16.486 -14.274 233 H PHE 53 H PHE 53 -19.575 10.377 -12.434 234 HA PHE 53 HA PHE 53 -21.825 11.059 -10.920 235 2HB PHE 53 2HB PHE 53 -22.739 10.900 -13.352 236 HD1 PHE 53 1HD PHE 53 -24.173 7.866 -13.068 237 HD2 PHE 53 2HD PHE 53 -20.439 9.524 -14.217 238 HE1 PHE 53 1HE PHE 53 -23.713 5.847 -14.486 239 HE2 PHE 53 2HE PHE 53 -19.980 7.504 -15.634 240 HZ PHE 53 HZ PHE 53 -21.621 5.690 -15.752 241 H SER 54 H SER 54 -19.502 9.974 -10.091 242 HA SER 54 HA SER 54 -18.719 8.356 -8.869 243 2HB SER 54 2HB SER 54 -20.612 6.238 -8.892 244 HG SER 54 HG SER 54 -19.427 7.347 -7.054 245 H GLY 55 H GLY 55 -17.935 5.969 -9.010 246 1HA GLY 55 1HA GLY 55 -17.037 5.482 -11.674 247 2HA GLY 55 2HA GLY 55 -16.735 4.509 -10.248 248 HA PRO 56 HA PRO 56 -20.556 3.012 -12.663 249 2HB PRO 56 2HB PRO 56 -20.992 4.168 -14.606 250 2HG PRO 56 2HG PRO 56 -19.280 5.544 -15.312 251 2HD PRO 56 2HD PRO 56 -18.199 5.907 -13.316 252 H TYR 57 H TYR 57 -17.792 2.215 -14.716 253 HA TYR 57 HA TYR 57 -18.309 -0.552 -14.466 254 2HB TYR 57 2HB TYR 57 -15.939 1.215 -15.324 255 HD1 TYR 57 1HD TYR 57 -13.853 0.221 -15.409 256 HD2 TYR 57 2HD TYR 57 -17.313 -2.209 -16.065 257 HE1 TYR 57 1HE TYR 57 -12.366 -1.806 -15.789 258 HE2 TYR 57 2HE TYR 57 -15.814 -4.228 -16.443 259 HH TYR 57 HH TYR 57 -13.796 -4.996 -16.422 260 H THR 58 H THR 58 -16.508 -2.121 -13.728 261 HA THR 58 HA THR 58 -15.675 -1.256 -11.053 262 HB THR 58 HB THR 58 -17.191 -3.275 -11.373 263 HG1 THR 58 1HG THR 58 -15.622 -4.599 -10.043 264 1HG2 THR 58 1HG2 THR 58 -16.495 -5.179 -12.517 265 2HG2 THR 58 2HG2 THR 58 -15.622 -3.974 -13.495 266 3HG2 THR 58 3HG2 THR 58 -14.773 -4.855 -12.202 267 H TYR 59 H TYR 59 -13.833 -0.028 -11.593 268 HA TYR 59 HA TYR 59 -11.620 -1.708 -12.561 269 2HB TYR 59 2HB TYR 59 -12.230 -0.052 -14.276 270 HD1 TYR 59 1HD TYR 59 -14.532 0.801 -13.393 271 HD2 TYR 59 2HD TYR 59 -10.805 2.734 -12.572 272 HE1 TYR 59 1HE TYR 59 -15.762 2.961 -12.860 273 HE2 TYR 59 2HE TYR 59 -12.047 4.888 -12.042 274 HH TYR 59 HH TYR 59 -14.262 5.900 -12.718 275 H CYS 60 H CYS 60 -9.486 -1.136 -11.707 276 HA CYS 60 HA CYS 60 -9.405 -0.882 -9.018 277 2HB CYS 60 2HB CYS 60 -7.072 -0.536 -9.196 278 H ASN 61 H ASN 61 -9.513 0.818 -7.540 279 HA ASN 61 HA ASN 61 -9.847 3.450 -8.744 280 2HB ASN 61 2HB ASN 61 -10.756 2.588 -5.955 281 1HD2 ASN 61 1HD2 ASN 61 -11.908 4.084 -4.905 282 2HD2 ASN 61 2HD2 ASN 61 -12.242 5.684 -5.478 283 H THR 62 H THR 62 -9.260 5.255 -6.926 284 HA THR 62 HA THR 62 -6.513 4.796 -6.247 285 HB THR 62 HB THR 62 -8.512 7.086 -6.073 286 HG1 THR 62 1HG THR 62 -7.440 7.285 -7.999 287 1HG2 THR 62 1HG2 THR 62 -6.130 8.296 -5.547 288 2HG2 THR 62 2HG2 THR 62 -7.255 7.822 -4.251 289 3HG2 THR 62 3HG2 THR 62 -5.874 6.775 -4.656 290 H THR 63 H THR 63 -5.983 3.495 -4.596 291 HA THR 63 HA THR 63 -7.244 4.101 -2.023 292 HB THR 63 HB THR 63 -7.250 1.502 -3.561 293 HG1 THR 63 1HG THR 63 -9.289 1.540 -2.153 294 1HG2 THR 63 1HG2 THR 63 -7.380 1.632 -0.509 295 2HG2 THR 63 2HG2 THR 63 -7.428 0.180 -1.536 296 3HG2 THR 63 3HG2 THR 63 -5.917 1.108 -1.379 297 H LEU 64 H LEU 64 -5.963 3.159 -0.167 298 HA LEU 64 HA LEU 64 -3.120 3.105 -0.903 299 2HB LEU 64 2HB LEU 64 -3.391 5.220 0.010 300 HG LEU 64 HG LEU 64 -5.601 4.160 1.484 301 1HD1 LEU 64 1HD1 LEU 64 -3.812 5.729 3.323 302 2HD1 LEU 64 2HD1 LEU 64 -5.247 4.746 3.701 303 3HD1 LEU 64 3HD1 LEU 64 -3.719 3.954 3.249 304 1HD2 LEU 64 1HD2 LEU 64 -4.465 6.955 1.209 305 2HD2 LEU 64 2HD2 LEU 64 -5.701 6.188 0.183 306 3HD2 LEU 64 3HD2 LEU 64 -6.063 6.562 1.885 307 H ASP 65 H ASP 65 -2.125 1.247 -0.343 308 HA ASP 65 HA ASP 65 -3.587 -0.541 1.361 309 2HB ASP 65 2HB ASP 65 -1.001 -1.582 0.629 310 H GLN 66 H GLN 66 -1.414 -2.011 2.517 311 HA GLN 66 HA GLN 66 -0.972 -0.857 4.844 312 2HB GLN 66 2HB GLN 66 1.145 -2.479 3.364 313 2HG GLN 66 2HG GLN 66 1.246 -1.352 5.912 314 1HE2 GLN 66 1HE2 GLN 66 2.101 -3.209 7.689 315 2HE2 GLN 66 2HE2 GLN 66 0.782 -4.140 8.317 316 H ILE 67 H ILE 67 0.622 -0.018 1.792 317 HA ILE 67 HA ILE 67 2.546 1.665 3.175 318 HB ILE 67 HB ILE 67 3.328 2.099 0.822 319 2HG1 ILE 67 2HG1 ILE 67 1.112 1.465 -0.224 320 1HG2 ILE 67 1HG2 ILE 67 3.344 -0.831 1.550 321 2HG2 ILE 67 2HG2 ILE 67 4.610 0.123 0.740 322 3HG2 ILE 67 3HG2 ILE 67 4.255 0.395 2.463 323 1HD1 ILE 67 1HD1 ILE 67 2.576 -0.194 -1.907 324 2HD1 ILE 67 2HD1 ILE 67 2.549 1.583 -1.990 325 3HD1 ILE 67 3HD1 ILE 67 3.845 0.753 -1.096 326 H GLY 68 H GLY 68 1.649 3.501 3.997 327 1HA GLY 68 1HA GLY 68 -0.579 4.811 3.502 328 2HA GLY 68 2HA GLY 68 0.927 5.661 3.779 329 H THR 69 H THR 69 2.299 4.867 1.325 330 HA THR 69 HA THR 69 1.651 6.896 -0.362 331 HB THR 69 HB THR 69 2.960 4.173 -0.722 332 HG1 THR 69 1HG THR 69 4.221 5.756 0.328 333 1HG2 THR 69 1HG2 THR 69 2.790 4.388 -2.998 334 2HG2 THR 69 2HG2 THR 69 2.020 5.986 -2.850 335 3HG2 THR 69 3HG2 THR 69 3.794 5.848 -2.833 336 H CYS 70 H CYS 70 -0.244 7.455 -1.231 337 HA CYS 70 HA CYS 70 -2.313 5.631 -1.626 338 2HB CYS 70 2HB CYS 70 -2.324 8.221 -1.386 339 H TRP 71 H TRP 71 -3.233 4.887 -3.715 340 HA TRP 71 HA TRP 71 -1.166 4.703 -5.800 341 2HB TRP 71 2HB TRP 71 -2.328 2.529 -6.384 342 HD1 TRP 71 HD TRP 71 -1.769 2.007 -2.656 343 HE1 TRP 71 1HE TRP 71 0.597 0.953 -2.152 344 HE3 TRP 71 3HE TRP 71 0.069 2.570 -7.363 345 HZ2 TRP 71 2HZ TRP 71 2.920 0.484 -3.742 346 HZ3 TRP 71 3HZ TRP 71 2.396 1.788 -7.803 347 HH2 TRP 71 HH TRP 71 3.808 0.775 -6.084 348 HA PRO 72 HA PRO 72 -4.228 6.680 -8.189 349 2HB PRO 72 2HB PRO 72 -2.638 7.735 -9.478 350 2HG PRO 72 2HG PRO 72 -0.545 6.767 -9.408 351 2HD PRO 72 2HD PRO 72 -0.658 5.696 -7.377 352 H GLN 73 H GLN 73 -6.142 6.235 -9.165 353 HA GLN 73 HA GLN 73 -6.890 3.624 -9.263 354 2HB GLN 73 2HB GLN 73 -8.476 5.508 -9.222 355 2HG GLN 73 2HG GLN 73 -7.069 6.828 -10.998 356 1HE2 GLN 73 1HE2 GLN 73 -9.988 5.331 -12.369 357 2HE2 GLN 73 2HE2 GLN 73 -9.336 4.960 -13.930 358 H SER 74 H SER 74 -7.647 2.345 -11.258 359 HA SER 74 HA SER 74 -6.535 2.921 -13.741 360 2HB SER 74 2HB SER 74 -4.429 2.131 -13.561 361 HG SER 74 HG SER 74 -4.857 0.801 -11.065 362 H ALA 75 H ALA 75 -6.441 0.536 -15.026 363 HA ALA 75 HA ALA 75 -9.114 -0.472 -14.624 364 1HB ALA 75 1HB ALA 75 -7.114 -0.323 -16.762 365 2HB ALA 75 2HB ALA 75 -7.886 -1.924 -16.668 366 3HB ALA 75 3HB ALA 75 -8.886 -0.465 -16.868 367 HA PRO 76 HA PRO 76 -7.950 -4.097 -12.577 368 2HB PRO 76 2HB PRO 76 -10.139 -4.666 -12.149 369 2HG PRO 76 2HG PRO 76 -11.675 -3.754 -13.609 370 2HD PRO 76 2HD PRO 76 -10.501 -1.917 -14.341 371 H GLY 77 H GLY 77 -7.399 -6.503 -12.745 372 1HA GLY 77 1HA GLY 77 -6.002 -7.995 -13.682 373 2HA GLY 77 2HA GLY 77 -6.898 -7.714 -15.162 374 H ALA 78 H ALA 78 -4.351 -6.104 -13.122 375 HA ALA 78 HA ALA 78 -2.639 -5.910 -15.416 376 1HB ALA 78 1HB ALA 78 -2.755 -3.661 -15.835 377 2HB ALA 78 2HB ALA 78 -4.420 -3.881 -15.246 378 3HB ALA 78 3HB ALA 78 -3.163 -3.258 -14.150 379 H LEU 79 H LEU 79 -1.229 -3.587 -13.999 380 HA LEU 79 HA LEU 79 -0.622 -4.435 -11.388 381 2HB LEU 79 2HB LEU 79 0.385 -6.340 -12.466 382 HG LEU 79 HG LEU 79 2.217 -4.408 -13.915 383 1HD1 LEU 79 1HD1 LEU 79 3.706 -6.053 -13.845 384 2HD1 LEU 79 2HD1 LEU 79 2.541 -7.156 -13.075 385 3HD1 LEU 79 3HD1 LEU 79 2.602 -7.023 -14.848 386 1HD2 LEU 79 1HD2 LEU 79 -0.106 -6.066 -14.848 387 2HD2 LEU 79 2HD2 LEU 79 0.333 -4.389 -15.249 388 3HD2 LEU 79 3HD2 LEU 79 1.261 -5.741 -15.940 389 H VAL 80 H VAL 80 0.323 -2.740 -10.317 390 HA VAL 80 HA VAL 80 1.314 -0.574 -12.040 391 HB VAL 80 HB VAL 80 -0.246 -0.561 -9.461 392 1HG1 VAL 80 1HG1 VAL 80 0.747 1.324 -8.808 393 2HG1 VAL 80 2HG1 VAL 80 1.820 1.276 -10.227 394 3HG1 VAL 80 3HG1 VAL 80 0.248 2.105 -10.327 395 1HG2 VAL 80 1HG2 VAL 80 -1.838 -0.528 -11.099 396 2HG2 VAL 80 2HG2 VAL 80 -1.485 1.215 -11.030 397 3HG2 VAL 80 3HG2 VAL 80 -0.751 0.209 -12.301 398 H GLU 81 H GLU 81 3.301 -2.156 -11.815 399 HA GLU 81 HA GLU 81 4.566 -2.072 -9.278 400 2HB GLU 81 2HB GLU 81 6.359 -3.303 -10.355 401 2HG GLU 81 2HG GLU 81 3.781 -4.122 -11.765 402 H ARG 82 H ARG 82 6.137 -0.653 -8.526 403 HA ARG 82 HA ARG 82 7.625 0.933 -10.286 404 2HB ARG 82 2HB ARG 82 5.480 2.200 -10.429 405 2HG ARG 82 2HG ARG 82 5.687 1.974 -7.444 406 2HD ARG 82 2HD ARG 82 5.677 4.546 -8.578 407 HE ARG 82 HE ARG 82 2.911 3.572 -8.390 408 1HH1 ARG 82 2HH2 ARG 82 5.012 6.392 -8.274 409 2HH1 ARG 82 1HH2 ARG 82 3.747 7.510 -8.663 410 1HH2 ARG 82 2HH1 ARG 82 1.241 5.044 -8.904 411 2HH2 ARG 82 1HH1 ARG 82 1.587 6.737 -9.024 412 HA PRO 83 HA PRO 83 9.934 1.227 -6.599 413 2HB PRO 83 2HB PRO 83 11.842 1.862 -7.722 414 2HG PRO 83 2HG PRO 83 11.468 2.867 -9.763 415 2HD PRO 83 2HD PRO 83 9.397 2.006 -10.270 416 H CYS 84 H CYS 84 9.485 1.665 -4.533 417 HA CYS 84 HA CYS 84 7.480 3.349 -3.868 418 2HB CYS 84 2HB CYS 84 8.152 3.142 -1.617 419 HA PRO 85 HA PRO 85 9.416 7.230 -4.614 420 2HB PRO 85 2HB PRO 85 7.563 8.054 -5.705 421 2HG PRO 85 2HG PRO 85 5.627 6.851 -5.357 422 2HD PRO 85 2HD PRO 85 6.512 4.802 -4.807 423 H GLU 86 H GLU 86 10.930 7.985 -3.287 424 HA GLU 86 HA GLU 86 11.026 7.720 -0.693 425 2HB GLU 86 2HB GLU 86 12.889 8.768 -1.657 426 2HG GLU 86 2HG GLU 86 10.911 10.819 -2.747 427 H TYR 87 H TYR 87 9.191 7.814 0.606 428 HA TYR 87 HA TYR 87 8.417 10.230 1.680 429 2HB TYR 87 2HB TYR 87 6.118 9.190 0.037 430 HD1 TYR 87 1HD TYR 87 8.321 12.162 0.682 431 HD2 TYR 87 2HD TYR 87 4.348 10.700 0.058 432 HE1 TYR 87 1HE TYR 87 7.388 14.482 1.138 433 HE2 TYR 87 2HE TYR 87 3.429 13.026 0.516 434 HH TYR 87 HH TYR 87 5.386 15.761 0.558 435 H PHE 88 H PHE 88 9.072 7.493 2.433 436 HA PHE 88 HA PHE 88 6.525 6.774 3.704 437 2HB PHE 88 2HB PHE 88 6.857 4.724 2.687 438 HD1 PHE 88 1HD PHE 88 6.967 5.510 0.372 439 HD2 PHE 88 2HD PHE 88 10.496 4.951 2.661 440 HE1 PHE 88 1HE PHE 88 8.339 5.581 -1.727 441 HE2 PHE 88 2HE PHE 88 11.869 5.023 0.561 442 HZ PHE 88 HZ PHE 88 10.774 5.337 -1.608 443 H ASN 89 H ASN 89 10.133 6.348 3.940 444 HA ASN 89 HA ASN 89 10.287 7.511 6.429 445 2HB ASN 89 2HB ASN 89 9.011 5.407 7.111 446 1HD2 ASN 89 1HD2 ASN 89 9.987 4.614 4.591 447 2HD2 ASN 89 2HD2 ASN 89 10.661 3.023 4.711 448 H GLY 90 H GLY 90 11.662 7.437 3.872 449 1HA GLY 90 1HA GLY 90 14.287 7.507 4.473 450 2HA GLY 90 2HA GLY 90 14.034 5.804 4.144 451 H ILE 91 H ILE 91 14.449 8.971 2.777 452 HA ILE 91 HA ILE 91 13.365 8.334 0.210 453 HB ILE 91 HB ILE 91 14.129 10.480 -0.441 454 2HG1 ILE 91 2HG1 ILE 91 16.406 10.057 0.857 455 1HG2 ILE 91 1HG2 ILE 91 12.692 11.667 0.823 456 2HG2 ILE 91 2HG2 ILE 91 12.333 10.079 1.543 457 3HG2 ILE 91 3HG2 ILE 91 13.465 11.188 2.354 458 1HD1 ILE 91 1HD1 ILE 91 15.292 12.884 0.662 459 2HD1 ILE 91 2HD1 ILE 91 16.978 12.352 0.450 460 3HD1 ILE 91 3HD1 ILE 91 15.753 11.939 -0.774 461 H LYS 92 H LYS 92 14.405 7.559 -1.606 462 HA LYS 92 HA LYS 92 16.946 7.620 -2.327 463 2HB LYS 92 2HB LYS 92 17.549 5.144 -1.290 464 2HG LYS 92 2HG LYS 92 18.817 6.798 0.468 465 2HD LYS 92 2HD LYS 92 19.457 6.779 -2.517 466 2HE LYS 92 2HE LYS 92 21.781 6.415 -0.989 467 1HZ LYS 92 1HZ LYS 92 20.586 8.493 -2.552 468 2HZ LYS 92 2HZ LYS 92 21.729 9.016 -1.510 469 3HZ LYS 92 3HZ LYS 92 22.097 7.875 -2.619 470 H TYR 93 H TYR 93 14.360 7.389 -3.412 471 HA TYR 93 HA TYR 93 13.945 4.703 -4.307 472 2HB TYR 93 2HB TYR 93 12.289 6.716 -3.921 473 HD1 TYR 93 1HD TYR 93 10.908 7.492 -6.611 474 HD2 TYR 93 2HD TYR 93 14.819 8.184 -5.019 475 HE1 TYR 93 1HE TYR 93 11.120 9.596 -8.024 476 HE2 TYR 93 2HE TYR 93 15.017 10.285 -6.437 477 HH TYR 93 HH TYR 93 12.438 11.771 -7.825 478 H ASN 94 H ASN 94 16.548 5.080 -4.935 479 HA ASN 94 HA ASN 94 16.446 5.714 -7.780 480 2HB ASN 94 2HB ASN 94 19.003 6.039 -7.482 481 1HD2 ASN 94 1HD2 ASN 94 16.508 7.297 -5.266 482 2HD2 ASN 94 2HD2 ASN 94 16.589 8.954 -5.762 483 H THR 95 H THR 95 18.677 3.985 -5.464 484 HA THR 95 HA THR 95 18.346 1.555 -7.085 485 HB THR 95 HB THR 95 20.880 1.257 -6.678 486 HG1 THR 95 1HG THR 95 20.901 2.945 -4.986 487 1HG2 THR 95 1HG2 THR 95 20.170 3.807 -8.214 488 2HG2 THR 95 2HG2 THR 95 21.567 2.738 -8.489 489 3HG2 THR 95 3HG2 THR 95 19.924 2.175 -8.881 490 H THR 96 H THR 96 16.680 1.484 -5.175 491 HA THR 96 HA THR 96 18.066 0.084 -2.986 492 HB THR 96 HB THR 96 16.004 1.043 -1.633 493 HG1 THR 96 1HG THR 96 15.519 3.204 -2.746 494 1HG2 THR 96 1HG2 THR 96 17.762 3.323 -2.497 495 2HG2 THR 96 2HG2 THR 96 17.341 2.782 -0.854 496 3HG2 THR 96 3HG2 THR 96 18.589 1.916 -1.784 497 H ARG 97 H ARG 97 14.588 0.590 -3.801 498 HA ARG 97 HA ARG 97 14.382 -2.024 -4.838 499 2HB ARG 97 2HB ARG 97 12.500 -2.232 -2.737 500 2HG ARG 97 2HG ARG 97 14.064 -4.017 -1.885 501 2HD ARG 97 2HD ARG 97 13.819 -3.933 -4.932 502 HE ARG 97 HE ARG 97 14.771 -5.994 -3.132 503 1HH1 ARG 97 2HH2 ARG 97 12.845 -5.497 -6.034 504 2HH1 ARG 97 1HH2 ARG 97 13.132 -7.090 -6.651 505 1HH2 ARG 97 2HH1 ARG 97 15.149 -8.095 -3.945 506 2HH2 ARG 97 1HH1 ARG 97 14.450 -8.578 -5.454 507 H ASN 98 H ASN 98 11.809 -2.563 -4.992 508 HA ASN 98 HA ASN 98 10.313 -0.104 -5.166 509 2HB ASN 98 2HB ASN 98 11.122 -0.177 -7.428 510 1HD2 ASN 98 1HD2 ASN 98 10.177 -1.870 -9.460 511 2HD2 ASN 98 2HD2 ASN 98 11.087 -3.345 -9.452 512 H ALA 99 H ALA 99 7.919 -0.598 -5.432 513 HA ALA 99 HA ALA 99 7.328 -3.255 -4.351 514 1HB ALA 99 1HB ALA 99 6.679 -1.183 -3.068 515 2HB ALA 99 2HB ALA 99 5.596 -0.753 -4.413 516 3HB ALA 99 3HB ALA 99 5.308 -2.242 -3.480 517 H TYR 100 H TYR 100 5.143 -4.181 -5.104 518 HA TYR 100 HA TYR 100 4.485 -3.412 -7.834 519 2HB TYR 100 2HB TYR 100 5.109 -5.554 -8.693 520 HD1 TYR 100 1HD TYR 100 6.636 -5.527 -5.260 521 HD2 TYR 100 2HD TYR 100 7.277 -5.294 -9.483 522 HE1 TYR 100 1HE TYR 100 9.150 -5.464 -4.882 523 HE2 TYR 100 2HE TYR 100 9.788 -5.231 -9.091 524 HH TYR 100 HH TYR 100 11.140 -4.534 -6.186 525 H ARG 101 H ARG 101 2.305 -3.455 -8.126 526 HA ARG 101 HA ARG 101 0.824 -5.197 -6.328 527 2HB ARG 101 2HB ARG 101 -0.444 -2.623 -7.247 528 2HG ARG 101 2HG ARG 101 -0.399 -3.942 -4.500 529 2HD ARG 101 2HD ARG 101 -2.240 -1.958 -5.912 530 HE ARG 101 HE ARG 101 -2.993 -3.900 -3.942 531 1HH1 ARG 101 2HH2 ARG 101 -3.272 -0.451 -4.588 532 2HH1 ARG 101 1HH2 ARG 101 -4.746 -0.274 -3.698 533 1HH2 ARG 101 2HH1 ARG 101 -4.939 -3.666 -2.767 534 2HH2 ARG 101 1HH1 ARG 101 -5.701 -2.115 -2.655 535 H GLU 102 H GLU 102 -0.737 -6.469 -7.352 536 HA GLU 102 HA GLU 102 -1.002 -6.003 -10.205 537 2HB GLU 102 2HB GLU 102 -1.822 -8.371 -10.268 538 2HG GLU 102 2HG GLU 102 0.841 -7.758 -8.929 539 H CYS 103 H CYS 103 -3.123 -6.075 -11.235 540 HA CYS 103 HA CYS 103 -5.212 -5.257 -9.366 541 2HB CYS 103 2HB CYS 103 -6.126 -4.706 -11.920 542 H LEU 104 H LEU 104 -7.139 -6.453 -9.250 543 HA LEU 104 HA LEU 104 -7.067 -9.025 -10.574 544 2HB LEU 104 2HB LEU 104 -9.392 -8.497 -8.933 545 HG LEU 104 HG LEU 104 -8.396 -10.764 -9.392 546 1HD1 LEU 104 1HD1 LEU 104 -6.049 -10.272 -9.178 547 2HD1 LEU 104 2HD1 LEU 104 -6.261 -9.779 -7.481 548 3HD1 LEU 104 3HD1 LEU 104 -6.504 -11.479 -7.951 549 1HD2 LEU 104 1HD2 LEU 104 -10.032 -10.571 -7.674 550 2HD2 LEU 104 2HD2 LEU 104 -8.709 -11.574 -7.031 551 3HD2 LEU 104 3HD2 LEU 104 -8.854 -9.871 -6.538 552 H GLU 105 H GLU 105 -8.849 -9.853 -11.854 553 HA GLU 105 HA GLU 105 -9.814 -7.858 -13.608 554 2HB GLU 105 2HB GLU 105 -9.177 -10.027 -14.498 555 2HG GLU 105 2HG GLU 105 -11.461 -11.554 -13.424 556 H ASN 106 H ASN 106 -10.780 -8.640 -10.548 557 HA ASN 106 HA ASN 106 -13.577 -8.834 -11.011 558 2HB ASN 106 2HB ASN 106 -12.876 -7.989 -8.299 559 1HD2 ASN 106 1HD2 ASN 106 -15.143 -8.706 -9.771 560 2HD2 ASN 106 2HD2 ASN 106 -15.793 -10.189 -9.157 561 H GLY 107 H GLY 107 -11.248 -6.341 -11.091 562 1HA GLY 107 1HA GLY 107 -11.849 -4.143 -11.678 563 2HA GLY 107 2HA GLY 107 -13.327 -4.290 -10.750 564 H THR 108 H THR 108 -10.712 -5.754 -9.075 565 HA THR 108 HA THR 108 -10.018 -3.257 -7.705 566 HB THR 108 HB THR 108 -11.440 -3.902 -6.018 567 HG1 THR 108 1HG THR 108 -9.888 -4.785 -4.713 568 1HG2 THR 108 1HG2 THR 108 -12.541 -5.633 -7.529 569 2HG2 THR 108 2HG2 THR 108 -11.292 -6.793 -7.017 570 3HG2 THR 108 3HG2 THR 108 -12.439 -6.138 -5.826 571 H TRP 109 H TRP 109 -8.186 -3.801 -6.008 572 HA TRP 109 HA TRP 109 -6.087 -4.926 -7.595 573 2HB TRP 109 2HB TRP 109 -4.647 -4.241 -5.759 574 HD1 TRP 109 HD TRP 109 -7.517 -1.664 -5.455 575 HE1 TRP 109 1HE TRP 109 -6.926 0.567 -6.736 576 HE3 TRP 109 3HE TRP 109 -3.246 -3.404 -7.598 577 HZ2 TRP 109 2HZ TRP 109 -4.788 1.335 -8.462 578 HZ3 TRP 109 3HZ TRP 109 -1.967 -1.850 -9.068 579 HH2 TRP 109 HH TRP 109 -2.675 0.447 -9.512 580 H ALA 110 H ALA 110 -4.520 -6.158 -5.519 581 HA ALA 110 HA ALA 110 -5.972 -8.672 -5.331 582 1HB ALA 110 1HB ALA 110 -3.701 -9.549 -4.726 583 2HB ALA 110 2HB ALA 110 -3.744 -8.729 -6.306 584 3HB ALA 110 3HB ALA 110 -3.061 -7.896 -4.889 585 H SER 111 H SER 111 -3.448 -8.192 -3.005 586 HA SER 111 HA SER 111 -5.493 -7.765 -0.969 587 2HB SER 111 2HB SER 111 -3.075 -9.125 -0.009 588 HG SER 111 HG SER 111 -5.904 -9.733 -0.065 589 H ARG 112 H ARG 112 -2.124 -7.226 -2.087 590 HA ARG 112 HA ARG 112 -2.055 -4.672 -1.079 591 2HB ARG 112 2HB ARG 112 -1.902 -5.653 1.164 592 2HG ARG 112 2HG ARG 112 0.633 -7.093 0.296 593 2HD ARG 112 2HD ARG 112 -1.286 -7.521 2.637 594 HE ARG 112 HE ARG 112 1.393 -8.647 2.760 595 1HH1 ARG 112 2HH2 ARG 112 -1.858 -9.218 1.544 596 2HH1 ARG 112 1HH2 ARG 112 -1.681 -10.942 1.511 597 1HH2 ARG 112 2HH1 ARG 112 1.628 -10.920 2.716 598 2HH2 ARG 112 1HH1 ARG 112 0.315 -11.916 2.182 599 H VAL 113 H VAL 113 0.105 -3.631 -1.501 600 HA VAL 113 HA VAL 113 1.305 -4.712 -3.799 601 HB VAL 113 HB VAL 113 2.448 -2.584 -1.992 602 1HG1 VAL 113 1HG1 VAL 113 3.401 -1.677 -3.996 603 2HG1 VAL 113 2HG1 VAL 113 3.779 -3.416 -3.962 604 3HG1 VAL 113 3HG1 VAL 113 2.481 -2.807 -5.017 605 1HG2 VAL 113 1HG2 VAL 113 0.816 -1.475 -4.086 606 2HG2 VAL 113 2HG2 VAL 113 -0.160 -2.600 -3.110 607 3HG2 VAL 113 3HG2 VAL 113 0.693 -1.250 -2.325 608 H ASN 114 H ASN 114 3.425 -5.584 -4.117 609 HA ASN 114 HA ASN 114 4.245 -7.143 -1.860 610 2HB ASN 114 2HB ASN 114 5.363 -8.497 -3.427 611 1HD2 ASN 114 1HD2 ASN 114 5.063 -8.192 -6.285 612 2HD2 ASN 114 2HD2 ASN 114 3.385 -8.386 -6.668 613 H TYR 115 H TYR 115 6.113 -6.705 -0.628 614 HA TYR 115 HA TYR 115 7.894 -4.602 -1.659 615 2HB TYR 115 2HB TYR 115 7.892 -3.702 0.609 616 HD1 TYR 115 1HD TYR 115 6.302 -2.383 -1.013 617 HD2 TYR 115 2HD TYR 115 4.970 -5.358 1.757 618 HE1 TYR 115 1HE TYR 115 3.950 -1.418 -1.096 619 HE2 TYR 115 2HE TYR 115 2.623 -4.384 1.666 620 HH TYR 115 HH TYR 115 1.295 -2.993 0.631 621 H SER 116 H SER 116 8.907 -6.775 -2.480 622 HA SER 116 HA SER 116 9.892 -8.722 -1.020 623 2HB SER 116 2HB SER 116 11.808 -8.836 -2.573 624 HG SER 116 HG SER 116 10.469 -8.154 -4.621 625 H HIS 117 H HIS 117 11.472 -5.464 -1.350 626 HA HIS 117 HA HIS 117 12.376 -5.595 1.337 627 2HB HIS 117 2HB HIS 117 14.642 -5.898 1.103 628 HD1 HIS 117 1HD HIS 117 14.565 -8.389 1.551 629 HD2 HIS 117 2HD HIS 117 13.659 -7.426 -2.430 630 HE1 HIS 117 1HE HIS 117 14.448 -10.604 0.289 631 H CYS 118 H CYS 118 10.636 -3.896 -0.141 632 HA CYS 118 HA CYS 118 12.243 -1.556 -0.737 633 2HB CYS 118 2HB CYS 118 9.245 -1.741 -0.933 634 H GLU 119 H GLU 119 9.504 -2.672 1.372 635 HA GLU 119 HA GLU 119 9.220 -0.324 2.774 636 2HB GLU 119 2HB GLU 119 8.772 -2.738 4.402 637 2HG GLU 119 2HG GLU 119 6.313 -1.786 3.810 638 HA PRO 120 HA PRO 120 12.402 -2.105 5.811 639 2HB PRO 120 2HB PRO 120 12.401 -4.387 6.110 640 2HG PRO 120 2HG PRO 120 11.468 -5.585 4.374 641 2HD PRO 120 2HD PRO 120 10.094 -3.984 3.464 642 H ILE 121 H ILE 121 12.836 -0.061 4.353 643 HA ILE 121 HA ILE 121 15.250 -0.399 2.830 644 HB ILE 121 HB ILE 121 13.330 1.131 2.264 645 2HG1 ILE 121 2HG1 ILE 121 15.934 1.239 1.593 646 1HG2 ILE 121 1HG2 ILE 121 12.657 2.724 3.651 647 2HG2 ILE 121 2HG2 ILE 121 13.807 2.110 4.863 648 3HG2 ILE 121 3HG2 ILE 121 14.301 3.402 3.743 649 1HD1 ILE 121 1HD1 ILE 121 14.102 3.540 0.843 650 2HD1 ILE 121 2HD1 ILE 121 15.276 2.673 -0.177 651 3HD1 ILE 121 3HD1 ILE 121 13.755 1.880 0.302 652 H LEU 122 H LEU 122 17.211 0.972 3.283 653 HA LEU 122 HA LEU 122 17.624 1.106 6.189 654 2HB LEU 122 2HB LEU 122 18.847 -0.668 4.822 655 HG LEU 122 HG LEU 122 19.878 1.672 3.468 656 1HD1 LEU 122 1HD1 LEU 122 21.612 1.681 5.176 657 2HD1 LEU 122 2HD1 LEU 122 21.943 -0.042 4.876 658 3HD1 LEU 122 3HD1 LEU 122 22.276 1.162 3.608 659 1HD2 LEU 122 1HD2 LEU 122 19.107 -0.669 2.631 660 2HD2 LEU 122 2HD2 LEU 122 20.461 0.156 1.821 661 3HD2 LEU 122 3HD2 LEU 122 20.784 -1.152 2.985 662 H ASP 123 H ASP 123 18.507 2.975 7.070 663 HA ASP 123 HA ASP 123 19.778 4.905 5.545 664 2HB ASP 123 2HB ASP 123 17.661 5.453 4.536 665 H ASP 124 H ASP 124 21.158 4.909 7.422 666 HA ASP 124 HA ASP 124 20.310 6.586 9.503 667 2HB ASP 124 2HB ASP 124 21.066 3.817 10.471 668 H LYS 125 H LYS 125 22.278 7.703 8.942 669 HA LYS 125 HA LYS 125 24.683 6.408 9.919 670 2HB LYS 125 2HB LYS 125 24.560 7.604 7.137 671 2HG LYS 125 2HG LYS 125 26.726 7.136 8.945 672 2HD LYS 125 2HD LYS 125 26.623 5.163 6.614 673 2HE LYS 125 2HE LYS 125 28.900 5.016 8.483 674 1HZ LYS 125 1HZ LYS 125 30.034 4.713 6.467 675 2HZ LYS 125 2HZ LYS 125 28.615 3.925 6.292 676 3HZ LYS 125 3HZ LYS 125 28.838 5.373 5.572 677 H GLN 126 H GLN 126 23.610 8.096 11.532 678 HA GLN 126 HA GLN 126 24.664 10.717 10.817 679 2HB GLN 126 2HB GLN 126 22.272 10.783 11.274 680 2HG GLN 126 2HG GLN 126 23.069 9.302 13.810 681 1HE2 GLN 126 1HE2 GLN 126 20.120 10.507 12.220 682 2HE2 GLN 126 2HE2 GLN 126 19.375 11.192 13.626 683 H ARG 127 H ARG 127 25.156 11.980 13.116 684 HA ARG 127 HA ARG 127 26.507 12.189 14.787 685 2HB ARG 127 2HB ARG 127 26.888 9.478 15.760 686 2HG ARG 127 2HG ARG 127 25.787 12.067 16.648 687 2HD ARG 127 2HD ARG 127 23.770 10.395 16.778 688 HE ARG 127 HE ARG 127 25.667 8.861 18.219 689 1HH1 ARG 127 2HH2 ARG 127 22.397 10.077 18.675 690 2HH1 ARG 127 1HH2 ARG 127 21.924 8.780 19.720 691 1HH2 ARG 127 2HH1 ARG 127 25.043 7.149 19.598 692 2HH2 ARG 127 1HH1 ARG 127 23.438 7.102 20.249 693 H LYS 128 H LYS 128 28.786 12.245 15.086 694 HA LYS 128 HA LYS 128 30.466 10.156 14.198 695 2HB LYS 128 2HB LYS 128 30.466 12.620 12.433 696 2HG LYS 128 2HG LYS 128 31.843 9.915 12.109 697 2HD LYS 128 2HD LYS 128 31.257 11.617 10.127 698 2HE LYS 128 2HE LYS 128 33.854 12.784 10.214 699 1HZ LYS 128 1HZ LYS 128 31.592 13.563 9.358 700 2HZ LYS 128 2HZ LYS 128 31.408 14.240 10.832 701 3HZ LYS 128 3HZ LYS 128 32.656 14.686 9.878 702 H TYR 129 H TYR 129 30.753 10.738 16.571 703 HA TYR 129 HA TYR 129 32.168 13.220 17.027 704 2HB TYR 129 2HB TYR 129 30.461 12.180 18.604 705 HD1 TYR 129 1HD TYR 129 33.599 10.315 19.412 706 HD2 TYR 129 2HD TYR 129 29.415 10.076 18.554 707 HE1 TYR 129 1HE TYR 129 33.615 7.840 19.992 708 HE2 TYR 129 2HE TYR 129 29.444 7.601 19.137 709 HH TYR 129 HH TYR 129 32.442 6.047 20.246 710 H ASP 130 H ASP 130 34.353 13.418 17.638 711 HA ASP 130 HA ASP 130 36.011 11.378 18.294 712 2HB ASP 130 2HB ASP 130 35.935 10.274 16.223 713 H LEU 131 H LEU 131 38.080 12.307 18.816 714 HA LEU 131 HA LEU 131 39.625 13.860 19.096 715 2HB LEU 131 2HB LEU 131 38.905 15.674 16.926 716 HG LEU 131 HG LEU 131 41.220 15.322 18.003 717 1HD1 LEU 131 1HD1 LEU 131 42.618 13.599 16.893 718 2HD1 LEU 131 2HD1 LEU 131 41.338 12.916 17.924 719 3HD1 LEU 131 3HD1 LEU 131 41.145 12.922 16.156 720 1HD2 LEU 131 1HD2 LEU 131 40.899 16.757 16.092 721 2HD2 LEU 131 2HD2 LEU 131 42.367 15.779 15.850 722 3HD2 LEU 131 3HD2 LEU 131 40.864 15.356 14.994 723 H HIS 132 H HIS 132 39.838 16.466 19.329 724 HA HIS 132 HA HIS 132 37.278 17.487 20.266 725 2HB HIS 132 2HB HIS 132 39.478 18.116 22.092 726 HD1 HIS 132 1HD HIS 132 36.913 19.531 22.207 727 HD2 HIS 132 2HD HIS 132 37.355 15.743 23.954 728 HE1 HIS 132 1HE HIS 132 35.059 19.325 23.949 729 HE2 HIS 132 2HE HIS 132 35.349 16.957 24.949 730 H TYR 133 H TYR 133 37.007 19.262 19.002 731 HA TYR 133 HA TYR 133 37.655 20.933 17.605 732 2HB TYR 133 2HB TYR 133 38.390 21.435 20.513 733 HD1 TYR 133 1HD TYR 133 37.643 23.986 17.916 734 HD2 TYR 133 2HD TYR 133 40.531 22.477 20.688 735 HE1 TYR 133 1HE TYR 133 39.080 26.051 17.555 736 HE2 TYR 133 2HE TYR 133 41.959 24.547 20.316 737 HH TYR 133 HH TYR 133 42.069 26.279 18.075 Start of MODEL 19 1 1H GLY 15 H GLY 15 -31.494 19.443 -69.107 2 1HA GLY 15 1HA GLY 15 -33.570 18.985 -67.264 3 2HA GLY 15 2HA GLY 15 -33.212 17.483 -68.091 4 H SER 16 H SER 16 -32.710 17.369 -65.466 5 HA SER 16 HA SER 16 -30.038 16.757 -65.339 6 2HB SER 16 2HB SER 16 -29.597 19.174 -65.352 7 HG SER 16 HG SER 16 -30.352 20.240 -63.195 8 H GLY 17 H GLY 17 -29.427 15.987 -63.101 9 1HA GLY 17 1HA GLY 17 -31.031 16.101 -60.866 10 2HA GLY 17 2HA GLY 17 -31.674 14.780 -61.821 11 H MET 18 H MET 18 -30.996 12.996 -60.631 12 HA MET 18 HA MET 18 -29.664 11.466 -59.854 13 2HB MET 18 2HB MET 18 -27.287 11.354 -60.870 14 2HG MET 18 2HG MET 18 -29.623 10.611 -61.994 15 1HE MET 18 1HE MET 18 -31.511 11.468 -64.344 16 2HE MET 18 2HE MET 18 -31.362 11.474 -62.570 17 3HE MET 18 3HE MET 18 -31.693 12.991 -63.440 18 H LYS 19 H LYS 19 -28.657 11.189 -57.879 19 HA LYS 19 HA LYS 19 -26.520 12.748 -56.994 20 2HB LYS 19 2HB LYS 19 -28.259 13.691 -55.056 21 2HG LYS 19 2HG LYS 19 -26.609 14.756 -57.271 22 2HD LYS 19 2HD LYS 19 -29.225 16.005 -56.614 23 2HE LYS 19 2HE LYS 19 -27.436 17.366 -55.298 24 1HZ LYS 19 1HZ LYS 19 -25.679 17.763 -56.582 25 2HZ LYS 19 2HZ LYS 19 -26.473 17.523 -57.989 26 3HZ LYS 19 3HZ LYS 19 -26.573 18.966 -57.229 27 H GLU 20 H GLU 20 -26.092 12.287 -54.576 28 HA GLU 20 HA GLU 20 -27.535 10.348 -53.259 29 2HB GLU 20 2HB GLU 20 -26.830 8.839 -55.094 30 2HG GLU 20 2HG GLU 20 -24.165 10.026 -54.433 31 H THR 21 H THR 21 -25.664 9.060 -51.695 32 HA THR 21 HA THR 21 -23.481 10.786 -51.035 33 HB THR 21 HB THR 21 -24.686 10.967 -48.598 34 HG1 THR 21 1HG THR 21 -26.631 9.934 -49.440 35 1HG2 THR 21 1HG2 THR 21 -25.764 12.911 -50.629 36 2HG2 THR 21 2HG2 THR 21 -25.008 13.234 -49.050 37 3HG2 THR 21 3HG2 THR 21 -23.995 12.827 -50.456 38 H ALA 22 H ALA 22 -25.733 8.247 -49.765 39 HA ALA 22 HA ALA 22 -25.313 6.216 -48.990 40 1HB ALA 22 1HB ALA 22 -22.458 5.973 -49.495 41 2HB ALA 22 2HB ALA 22 -23.815 5.081 -50.225 42 3HB ALA 22 3HB ALA 22 -23.298 6.638 -50.917 43 H ALA 23 H ALA 23 -23.218 5.068 -47.556 44 HA ALA 23 HA ALA 23 -22.451 7.077 -45.582 45 1HB ALA 23 1HB ALA 23 -24.571 5.138 -45.269 46 2HB ALA 23 2HB ALA 23 -23.242 4.755 -44.148 47 3HB ALA 23 3HB ALA 23 -23.997 6.367 -44.117 48 H ALA 24 H ALA 24 -22.367 3.548 -46.455 49 HA ALA 24 HA ALA 24 -20.704 2.089 -46.499 50 1HB ALA 24 1HB ALA 24 -19.744 3.436 -48.226 51 2HB ALA 24 2HB ALA 24 -19.160 4.645 -47.057 52 3HB ALA 24 3HB ALA 24 -18.411 3.031 -47.119 53 H LYS 25 H LYS 25 -18.078 4.012 -45.382 54 HA LYS 25 HA LYS 25 -17.735 2.485 -43.085 55 2HB LYS 25 2HB LYS 25 -15.996 4.164 -42.524 56 2HG LYS 25 2HG LYS 25 -15.146 4.093 -45.182 57 2HD LYS 25 2HD LYS 25 -15.008 2.095 -42.899 58 2HE LYS 25 2HE LYS 25 -12.973 1.332 -44.584 59 1HZ LYS 25 1HZ LYS 25 -15.165 -0.187 -45.253 60 2HZ LYS 25 2HZ LYS 25 -14.043 -0.513 -44.112 61 3HZ LYS 25 3HZ LYS 25 -15.408 0.290 -43.709 62 H PHE 26 H PHE 26 -18.125 2.864 -40.872 63 HA PHE 26 HA PHE 26 -20.416 4.554 -40.417 64 2HB PHE 26 2HB PHE 26 -20.090 3.449 -38.076 65 HD1 PHE 26 1HD PHE 26 -22.369 2.932 -38.914 66 HD2 PHE 26 2HD PHE 26 -18.976 0.721 -40.179 67 HE1 PHE 26 1HE PHE 26 -23.872 1.099 -39.739 68 HE2 PHE 26 2HE PHE 26 -20.478 -1.112 -41.004 69 HZ PHE 26 HZ PHE 26 -22.909 -0.902 -40.774 70 H GLU 27 H GLU 27 -20.174 5.419 -37.829 71 HA GLU 27 HA GLU 27 -17.685 6.903 -37.742 72 2HB GLU 27 2HB GLU 27 -19.768 8.679 -36.881 73 2HG GLU 27 2HG GLU 27 -18.870 9.565 -39.381 74 H ARG 28 H ARG 28 -17.514 8.107 -35.516 75 HA ARG 28 HA ARG 28 -19.001 6.648 -33.505 76 2HB ARG 28 2HB ARG 28 -16.851 6.391 -32.169 77 2HG ARG 28 2HG ARG 28 -16.628 5.082 -34.912 78 2HD ARG 28 2HD ARG 28 -16.094 3.953 -32.126 79 HE ARG 28 HE ARG 28 -16.098 2.786 -34.755 80 1HH1 ARG 28 2HH2 ARG 28 -14.195 2.843 -31.795 81 2HH1 ARG 28 1HH2 ARG 28 -13.521 1.267 -32.047 82 1HH2 ARG 28 2HH1 ARG 28 -15.209 0.707 -35.087 83 2HH2 ARG 28 1HH1 ARG 28 -14.101 0.045 -33.932 84 H GLN 29 H GLN 29 -18.447 7.711 -31.206 85 HA GLN 29 HA GLN 29 -19.036 10.444 -31.506 86 2HB GLN 29 2HB GLN 29 -18.211 9.699 -28.804 87 2HG GLN 29 2HG GLN 29 -20.152 11.273 -29.992 88 1HE2 GLN 29 1HE2 GLN 29 -22.237 10.619 -27.890 89 2HE2 GLN 29 2HE2 GLN 29 -23.314 9.492 -28.646 90 H HIS 30 H HIS 30 -16.447 9.055 -29.379 91 HA HIS 30 HA HIS 30 -14.295 9.533 -29.204 92 2HB HIS 30 2HB HIS 30 -14.655 9.988 -31.859 93 HD1 HIS 30 1HD HIS 30 -12.229 11.896 -32.677 94 HD2 HIS 30 2HD HIS 30 -15.674 13.041 -30.575 95 HE1 HIS 30 1HE HIS 30 -12.495 14.405 -33.053 96 H MET 31 H MET 31 -12.812 11.577 -28.716 97 HA MET 31 HA MET 31 -12.503 13.284 -27.405 98 2HB MET 31 2HB MET 31 -14.358 15.211 -27.771 99 2HG MET 31 2HG MET 31 -12.633 14.220 -30.093 100 1HE MET 31 1HE MET 31 -11.774 17.564 -31.466 101 2HE MET 31 2HE MET 31 -11.432 15.827 -31.276 102 3HE MET 31 3HE MET 31 -12.687 16.368 -32.416 103 H ASP 32 H ASP 32 -13.059 11.731 -25.593 104 HA ASP 32 HA ASP 32 -15.481 12.662 -24.259 105 2HB ASP 32 2HB ASP 32 -15.980 10.413 -24.501 106 H SER 33 H SER 33 -15.013 13.777 -22.354 107 HA SER 33 HA SER 33 -12.502 13.090 -21.046 108 2HB SER 33 2HB SER 33 -12.768 15.704 -20.344 109 HG SER 33 HG SER 33 -11.637 14.827 -22.864 110 HA PRO 34 HA PRO 34 -14.964 12.863 -17.465 111 2HB PRO 34 2HB PRO 34 -13.303 11.797 -16.280 112 2HG PRO 34 2HG PRO 34 -11.167 12.172 -17.065 113 2HD PRO 34 2HD PRO 34 -11.626 12.709 -19.254 114 H ASP 35 H ASP 35 -14.853 14.155 -15.000 115 HA ASP 35 HA ASP 35 -15.694 16.779 -15.936 116 2HB ASP 35 2HB ASP 35 -16.458 15.121 -13.494 117 H LEU 36 H LEU 36 -14.973 18.667 -14.692 118 HA LEU 36 HA LEU 36 -12.402 18.716 -13.869 119 2HB LEU 36 2HB LEU 36 -13.256 20.729 -12.431 120 HG LEU 36 HG LEU 36 -12.930 20.444 -15.311 121 1HD1 LEU 36 1HD1 LEU 36 -14.761 22.674 -14.387 122 2HD1 LEU 36 2HD1 LEU 36 -14.126 22.419 -16.029 123 3HD1 LEU 36 3HD1 LEU 36 -15.267 21.249 -15.325 124 1HD2 LEU 36 1HD2 LEU 36 -12.077 22.214 -13.103 125 2HD2 LEU 36 2HD2 LEU 36 -11.153 21.537 -14.466 126 3HD2 LEU 36 3HD2 LEU 36 -12.174 22.976 -14.709 127 H GLY 37 H GLY 37 -15.042 19.023 -11.404 128 1HA GLY 37 1HA GLY 37 -15.310 17.532 -9.598 129 2HA GLY 37 2HA GLY 37 -13.643 17.020 -9.762 130 H THR 38 H THR 38 -15.831 19.546 -8.547 131 HA THR 38 HA THR 38 -13.845 21.353 -7.685 132 HB THR 38 HB THR 38 -15.722 22.402 -6.551 133 HG1 THR 38 1HG THR 38 -16.902 19.739 -6.941 134 1HG2 THR 38 1HG2 THR 38 -17.385 20.954 -8.573 135 2HG2 THR 38 2HG2 THR 38 -17.159 22.705 -8.340 136 3HG2 THR 38 3HG2 THR 38 -15.937 21.759 -9.224 137 H THR 39 H THR 39 -14.517 18.172 -6.679 138 HA THR 39 HA THR 39 -12.720 18.477 -4.464 139 HB THR 39 HB THR 39 -15.667 17.772 -4.009 140 HG1 THR 39 1HG THR 39 -15.446 20.002 -3.856 141 1HG2 THR 39 1HG2 THR 39 -14.286 18.208 -1.567 142 2HG2 THR 39 2HG2 THR 39 -14.940 16.659 -2.147 143 3HG2 THR 39 3HG2 THR 39 -13.249 17.096 -2.491 144 H LEU 40 H LEU 40 -11.547 16.655 -4.150 145 HA LEU 40 HA LEU 40 -11.791 14.608 -6.051 146 2HB LEU 40 2HB LEU 40 -9.663 15.145 -5.185 147 HG LEU 40 HG LEU 40 -10.905 14.843 -2.504 148 1HD1 LEU 40 1HD1 LEU 40 -8.638 14.285 -1.518 149 2HD1 LEU 40 2HD1 LEU 40 -9.500 12.950 -2.321 150 3HD1 LEU 40 3HD1 LEU 40 -8.155 13.768 -3.152 151 1HD2 LEU 40 1HD2 LEU 40 -10.305 17.000 -2.687 152 2HD2 LEU 40 2HD2 LEU 40 -8.697 16.400 -2.212 153 3HD2 LEU 40 3HD2 LEU 40 -9.076 16.666 -3.931 154 H LEU 41 H LEU 41 -12.871 14.956 -2.640 155 HA LEU 41 HA LEU 41 -14.418 13.854 -1.504 156 2HB LEU 41 2HB LEU 41 -16.115 12.625 -2.561 157 HG LEU 41 HG LEU 41 -15.101 14.917 -4.130 158 1HD1 LEU 41 1HD1 LEU 41 -16.066 14.532 -6.136 159 2HD1 LEU 41 2HD1 LEU 41 -15.754 12.834 -5.700 160 3HD1 LEU 41 3HD1 LEU 41 -17.370 13.535 -5.448 161 1HD2 LEU 41 1HD2 LEU 41 -17.569 14.105 -2.671 162 2HD2 LEU 41 2HD2 LEU 41 -16.645 15.625 -2.618 163 3HD2 LEU 41 3HD2 LEU 41 -17.731 15.291 -3.988 164 H GLU 42 H GLU 42 -11.563 12.743 -2.576 165 HA GLU 42 HA GLU 42 -11.956 10.114 -1.381 166 2HB GLU 42 2HB GLU 42 -9.928 9.413 -2.594 167 2HG GLU 42 2HG GLU 42 -12.314 10.525 -3.947 168 H GLN 43 H GLN 43 -11.296 13.074 -0.345 169 HA GLN 43 HA GLN 43 -9.874 14.052 1.029 170 2HB GLN 43 2HB GLN 43 -9.512 12.404 3.141 171 2HG GLN 43 2HG GLN 43 -10.999 14.406 3.087 172 1HE2 GLN 43 1HE2 GLN 43 -11.624 14.925 0.958 173 2HE2 GLN 43 2HE2 GLN 43 -13.176 14.485 0.325 174 H TYR 44 H TYR 44 -8.551 10.954 2.155 175 HA TYR 44 HA TYR 44 -5.910 11.851 1.393 176 2HB TYR 44 2HB TYR 44 -5.276 10.098 2.955 177 HD1 TYR 44 1HD TYR 44 -5.300 12.019 4.495 178 HD2 TYR 44 2HD TYR 44 -8.825 9.701 3.783 179 HE1 TYR 44 1HE TYR 44 -6.391 13.032 6.556 180 HE2 TYR 44 2HE TYR 44 -9.904 10.722 5.846 181 HH TYR 44 HH TYR 44 -9.418 11.811 7.777 182 H CYS 45 H CYS 45 -7.903 8.837 0.948 183 HA CYS 45 HA CYS 45 -7.347 8.618 -1.751 184 2HB CYS 45 2HB CYS 45 -5.794 6.415 -0.629 185 H HIS 46 H HIS 46 -9.266 7.620 -2.257 186 HA HIS 46 HA HIS 46 -9.840 5.068 -1.152 187 2HB HIS 46 2HB HIS 46 -12.083 6.942 -0.620 188 HD1 HIS 46 1HD HIS 46 -12.944 6.177 2.009 189 HD2 HIS 46 2HD HIS 46 -10.854 3.423 -0.367 190 HE1 HIS 46 1HE HIS 46 -13.473 3.867 2.957 191 H ARG 47 H ARG 47 -11.451 3.952 -2.400 192 HA ARG 47 HA ARG 47 -11.664 5.034 -5.004 193 2HB ARG 47 2HB ARG 47 -12.615 2.876 -5.602 194 2HG ARG 47 2HG ARG 47 -11.097 1.377 -3.855 195 2HD ARG 47 2HD ARG 47 -9.255 2.695 -5.626 196 HE ARG 47 HE ARG 47 -9.084 0.333 -5.601 197 1HH1 ARG 47 2HH2 ARG 47 -12.246 1.332 -6.777 198 2HH1 ARG 47 1HH2 ARG 47 -12.670 -0.244 -7.355 199 1HH2 ARG 47 2HH1 ARG 47 -9.643 -1.747 -6.363 200 2HH2 ARG 47 1HH1 ARG 47 -11.180 -2.008 -7.118 201 H THR 48 H THR 48 -14.188 3.623 -2.780 202 HA THR 48 HA THR 48 -15.849 5.722 -2.492 203 HB THR 48 HB THR 48 -16.178 6.220 -4.773 204 HG1 THR 48 1HG THR 48 -18.199 5.533 -3.646 205 1HG2 THR 48 1HG2 THR 48 -16.780 4.102 -6.323 206 2HG2 THR 48 2HG2 THR 48 -15.090 4.607 -6.089 207 3HG2 THR 48 3HG2 THR 48 -15.753 3.249 -5.146 208 H THR 49 H THR 49 -15.672 2.274 -3.457 209 HA THR 49 HA THR 49 -16.946 0.526 -2.825 210 HB THR 49 HB THR 49 -16.946 0.452 -0.186 211 HG1 THR 49 1HG THR 49 -16.768 2.712 0.191 212 1HG2 THR 49 1HG2 THR 49 -14.984 -0.201 -1.975 213 2HG2 THR 49 2HG2 THR 49 -14.180 1.144 -1.131 214 3HG2 THR 49 3HG2 THR 49 -14.737 -0.276 -0.214 215 H ILE 50 H ILE 50 -18.774 1.803 -4.014 216 HA ILE 50 HA ILE 50 -20.754 3.043 -2.491 217 HB ILE 50 HB ILE 50 -20.251 2.437 -5.179 218 2HG1 ILE 50 2HG1 ILE 50 -21.420 4.430 -3.685 219 1HG2 ILE 50 1HG2 ILE 50 -22.219 1.482 -6.067 220 2HG2 ILE 50 2HG2 ILE 50 -21.708 0.405 -4.745 221 3HG2 ILE 50 3HG2 ILE 50 -23.055 1.542 -4.497 222 1HD1 ILE 50 1HD1 ILE 50 -21.911 4.422 -6.646 223 2HD1 ILE 50 2HD1 ILE 50 -21.170 5.675 -5.621 224 3HD1 ILE 50 3HD1 ILE 50 -20.225 4.243 -6.099 225 H GLY 51 H GLY 51 -22.630 2.300 -1.474 226 1HA GLY 51 1HA GLY 51 -23.987 0.847 -0.424 227 2HA GLY 51 2HA GLY 51 -23.588 -0.339 -1.650 228 H ASN 52 H ASN 52 -22.166 -2.024 -1.184 229 HA ASN 52 HA ASN 52 -20.439 -1.775 1.072 230 2HB ASN 52 2HB ASN 52 -22.428 -4.087 1.098 231 1HD2 ASN 52 1HD2 ASN 52 -21.642 -1.884 3.675 232 2HD2 ASN 52 2HD2 ASN 52 -20.636 -2.938 4.612 233 H PHE 53 H PHE 53 -20.294 -2.192 -1.879 234 HA PHE 53 HA PHE 53 -18.439 -4.274 -1.946 235 2HB PHE 53 2HB PHE 53 -20.517 -5.672 -1.792 236 HD1 PHE 53 1HD PHE 53 -22.417 -3.914 -1.602 237 HD2 PHE 53 2HD PHE 53 -21.057 -5.515 -5.288 238 HE1 PHE 53 1HE PHE 53 -24.582 -3.255 -2.687 239 HE2 PHE 53 2HE PHE 53 -23.222 -4.857 -6.374 240 HZ PHE 53 HZ PHE 53 -24.959 -3.734 -5.060 241 H SER 54 H SER 54 -18.232 -4.969 -4.538 242 HA SER 54 HA SER 54 -17.164 -2.913 -5.790 243 2HB SER 54 2HB SER 54 -16.934 -5.079 -6.756 244 HG SER 54 HG SER 54 -19.813 -5.021 -6.959 245 H GLY 55 H GLY 55 -17.873 -0.914 -6.434 246 1HA GLY 55 1HA GLY 55 -20.587 -0.177 -6.389 247 2HA GLY 55 2HA GLY 55 -19.252 0.754 -7.040 248 HA PRO 56 HA PRO 56 -21.556 -0.225 -10.719 249 2HB PRO 56 2HB PRO 56 -22.330 1.919 -11.045 250 2HG PRO 56 2HG PRO 56 -21.312 3.520 -9.733 251 2HD PRO 56 2HD PRO 56 -20.589 2.214 -7.984 252 H TYR 57 H TYR 57 -18.583 1.589 -11.327 253 HA TYR 57 HA TYR 57 -17.876 0.187 -13.582 254 2HB TYR 57 2HB TYR 57 -16.816 2.289 -12.776 255 HD1 TYR 57 1HD TYR 57 -16.874 3.569 -10.842 256 HD2 TYR 57 2HD TYR 57 -15.199 -0.363 -10.662 257 HE1 TYR 57 1HE TYR 57 -16.231 3.946 -8.411 258 HE2 TYR 57 2HE TYR 57 -14.561 0.026 -8.233 259 HH TYR 57 HH TYR 57 -14.136 2.649 -6.882 260 H THR 58 H THR 58 -15.318 -0.849 -13.302 261 HA THR 58 HA THR 58 -15.350 -2.876 -11.245 262 HB THR 58 HB THR 58 -15.809 -3.484 -14.207 263 HG1 THR 58 1HG THR 58 -17.711 -3.269 -12.921 264 1HG2 THR 58 1HG2 THR 58 -14.436 -5.077 -12.101 265 2HG2 THR 58 2HG2 THR 58 -15.842 -5.900 -12.820 266 3HG2 THR 58 3HG2 THR 58 -14.504 -5.351 -13.858 267 H TYR 59 H TYR 59 -13.684 -0.588 -11.852 268 HA TYR 59 HA TYR 59 -11.222 -2.053 -12.521 269 2HB TYR 59 2HB TYR 59 -11.854 -0.482 -14.336 270 HD1 TYR 59 1HD TYR 59 -13.619 0.918 -14.874 271 HD2 TYR 59 2HD TYR 59 -11.329 1.751 -11.356 272 HE1 TYR 59 1HE TYR 59 -14.994 3.017 -14.466 273 HE2 TYR 59 2HE TYR 59 -12.712 3.847 -10.962 274 HH TYR 59 HH TYR 59 -14.674 4.836 -11.506 275 H CYS 60 H CYS 60 -9.272 -0.388 -11.809 276 HA CYS 60 HA CYS 60 -9.730 -0.102 -8.965 277 2HB CYS 60 2HB CYS 60 -7.506 -0.388 -8.663 278 H ASN 61 H ASN 61 -9.642 1.913 -7.888 279 HA ASN 61 HA ASN 61 -9.377 4.199 -9.681 280 2HB ASN 61 2HB ASN 61 -10.910 4.453 -7.098 281 1HD2 ASN 61 1HD2 ASN 61 -10.985 4.700 -10.652 282 2HD2 ASN 61 2HD2 ASN 61 -11.563 6.330 -10.748 283 H THR 62 H THR 62 -9.378 6.216 -7.641 284 HA THR 62 HA THR 62 -6.718 5.930 -6.634 285 HB THR 62 HB THR 62 -8.901 8.026 -6.697 286 HG1 THR 62 1HG THR 62 -7.369 8.764 -8.136 287 1HG2 THR 62 1HG2 THR 62 -7.886 8.152 -4.373 288 2HG2 THR 62 2HG2 THR 62 -6.280 8.266 -5.131 289 3HG2 THR 62 3HG2 THR 62 -7.479 9.556 -5.389 290 H THR 63 H THR 63 -6.003 5.216 -4.719 291 HA THR 63 HA THR 63 -7.549 5.438 -2.356 292 HB THR 63 HB THR 63 -8.439 3.371 -3.920 293 HG1 THR 63 1HG THR 63 -9.184 2.624 -1.796 294 1HG2 THR 63 1HG2 THR 63 -7.539 1.272 -2.949 295 2HG2 THR 63 2HG2 THR 63 -6.236 2.152 -3.784 296 3HG2 THR 63 3HG2 THR 63 -6.348 2.203 -2.009 297 H LEU 64 H LEU 64 -6.429 4.006 -0.547 298 HA LEU 64 HA LEU 64 -3.546 4.158 -1.093 299 2HB LEU 64 2HB LEU 64 -4.076 5.987 0.294 300 HG LEU 64 HG LEU 64 -6.260 4.689 1.251 301 1HD1 LEU 64 1HD1 LEU 64 -5.384 4.725 3.864 302 2HD1 LEU 64 2HD1 LEU 64 -5.678 3.273 2.876 303 3HD1 LEU 64 3HD1 LEU 64 -4.035 3.947 3.002 304 1HD2 LEU 64 1HD2 LEU 64 -6.338 6.969 1.409 305 2HD2 LEU 64 2HD2 LEU 64 -6.115 6.546 3.123 306 3HD2 LEU 64 3HD2 LEU 64 -4.725 7.091 2.152 307 H ASP 65 H ASP 65 -2.404 2.312 -0.766 308 HA ASP 65 HA ASP 65 -3.879 0.010 -0.025 309 2HB ASP 65 2HB ASP 65 -0.857 0.217 -0.336 310 H GLN 66 H GLN 66 -2.370 -1.597 1.544 311 HA GLN 66 HA GLN 66 -2.649 -0.561 4.070 312 2HB GLN 66 2HB GLN 66 -0.668 -2.771 3.477 313 2HG GLN 66 2HG GLN 66 -1.526 -1.894 5.844 314 1HE2 GLN 66 1HE2 GLN 66 -2.942 -4.881 6.013 315 2HE2 GLN 66 2HE2 GLN 66 -4.612 -4.446 6.155 316 H ILE 67 H ILE 67 -0.098 -0.139 1.726 317 HA ILE 67 HA ILE 67 1.805 0.668 3.774 318 HB ILE 67 HB ILE 67 3.236 1.030 1.664 319 2HG1 ILE 67 2HG1 ILE 67 0.961 0.711 0.283 320 1HG2 ILE 67 1HG2 ILE 67 4.149 -1.016 2.017 321 2HG2 ILE 67 2HG2 ILE 67 3.058 -0.974 3.423 322 3HG2 ILE 67 3HG2 ILE 67 2.582 -1.857 1.953 323 1HD1 ILE 67 1HD1 ILE 67 3.682 0.891 -0.301 324 2HD1 ILE 67 2HD1 ILE 67 3.197 -0.620 -1.109 325 3HD1 ILE 67 3HD1 ILE 67 2.365 0.905 -1.498 326 H GLY 68 H GLY 68 -0.626 2.176 3.637 327 1HA GLY 68 1HA GLY 68 -1.455 4.246 3.082 328 2HA GLY 68 2HA GLY 68 0.004 4.698 3.939 329 H THR 69 H THR 69 -0.314 3.147 0.683 330 HA THR 69 HA THR 69 1.118 5.473 -0.413 331 HB THR 69 HB THR 69 0.992 2.528 -1.247 332 HG1 THR 69 1HG THR 69 2.931 4.426 -0.134 333 1HG2 THR 69 1HG2 THR 69 2.477 4.925 -2.445 334 2HG2 THR 69 2HG2 THR 69 2.885 3.228 -2.796 335 3HG2 THR 69 3HG2 THR 69 1.301 3.882 -3.279 336 H CYS 70 H CYS 70 -0.254 6.912 -1.272 337 HA CYS 70 HA CYS 70 -2.822 6.282 -2.099 338 2HB CYS 70 2HB CYS 70 -1.315 8.595 -3.269 339 H TRP 71 H TRP 71 -3.307 4.871 -3.752 340 HA TRP 71 HA TRP 71 -1.476 4.792 -6.036 341 2HB TRP 71 2HB TRP 71 -2.629 2.659 -6.561 342 HD1 TRP 71 HD TRP 71 -2.438 2.043 -2.834 343 HE1 TRP 71 1HE TRP 71 -0.143 0.955 -2.115 344 HE3 TRP 71 3HE TRP 71 -0.095 2.770 -7.288 345 HZ2 TRP 71 2HZ TRP 71 2.338 0.530 -3.459 346 HZ3 TRP 71 3HZ TRP 71 2.263 1.988 -7.502 347 HH2 TRP 71 HH TRP 71 3.477 0.902 -5.678 348 HA PRO 72 HA PRO 72 -4.598 6.983 -8.176 349 2HB PRO 72 2HB PRO 72 -3.043 8.215 -9.343 350 2HG PRO 72 2HG PRO 72 -0.913 7.329 -9.342 351 2HD PRO 72 2HD PRO 72 -0.998 6.066 -7.422 352 H GLN 73 H GLN 73 -6.256 6.775 -9.794 353 HA GLN 73 HA GLN 73 -7.412 4.392 -9.819 354 2HB GLN 73 2HB GLN 73 -8.454 6.434 -10.715 355 2HG GLN 73 2HG GLN 73 -7.911 6.829 -13.271 356 1HE2 GLN 73 1HE2 GLN 73 -8.573 8.561 -11.675 357 2HE2 GLN 73 2HE2 GLN 73 -7.353 9.674 -11.154 358 H SER 74 H SER 74 -7.659 2.634 -11.444 359 HA SER 74 HA SER 74 -5.658 2.425 -13.445 360 2HB SER 74 2HB SER 74 -4.352 0.663 -12.585 361 HG SER 74 HG SER 74 -3.588 2.249 -11.287 362 H ALA 75 H ALA 75 -5.845 0.038 -14.456 363 HA ALA 75 HA ALA 75 -8.715 -0.485 -14.611 364 1HB ALA 75 1HB ALA 75 -8.346 -0.856 -16.810 365 2HB ALA 75 2HB ALA 75 -6.749 -0.116 -16.539 366 3HB ALA 75 3HB ALA 75 -6.932 -1.886 -16.485 367 HA PRO 76 HA PRO 76 -8.300 -4.375 -12.769 368 2HB PRO 76 2HB PRO 76 -10.558 -4.806 -12.903 369 2HG PRO 76 2HG PRO 76 -11.653 -3.684 -14.595 370 2HD PRO 76 2HD PRO 76 -10.237 -1.895 -14.881 371 H GLY 77 H GLY 77 -7.195 -6.328 -12.670 372 1HA GLY 77 1HA GLY 77 -5.731 -7.868 -13.402 373 2HA GLY 77 2HA GLY 77 -6.494 -7.762 -14.976 374 H ALA 78 H ALA 78 -5.127 -4.860 -13.441 375 HA ALA 78 HA ALA 78 -3.244 -4.667 -15.637 376 1HB ALA 78 1HB ALA 78 -3.019 -2.367 -14.930 377 2HB ALA 78 2HB ALA 78 -4.751 -2.777 -14.904 378 3HB ALA 78 3HB ALA 78 -3.830 -2.710 -13.382 379 H LEU 79 H LEU 79 -1.436 -2.941 -13.923 380 HA LEU 79 HA LEU 79 -0.375 -4.702 -11.942 381 2HB LEU 79 2HB LEU 79 1.756 -4.281 -13.844 382 HG LEU 79 HG LEU 79 0.909 -6.318 -12.023 383 1HD1 LEU 79 1HD1 LEU 79 1.100 -7.191 -14.893 384 2HD1 LEU 79 2HD1 LEU 79 1.609 -8.275 -13.576 385 3HD1 LEU 79 3HD1 LEU 79 -0.064 -7.670 -13.636 386 1HD2 LEU 79 1HD2 LEU 79 3.094 -5.787 -11.752 387 2HD2 LEU 79 2HD2 LEU 79 3.313 -7.167 -12.855 388 3HD2 LEU 79 3HD2 LEU 79 3.362 -5.504 -13.489 389 H VAL 80 H VAL 80 0.003 -3.241 -10.369 390 HA VAL 80 HA VAL 80 0.982 -0.609 -11.201 391 HB VAL 80 HB VAL 80 -0.381 -1.593 -8.690 392 1HG1 VAL 80 1HG1 VAL 80 0.562 0.119 -7.610 393 2HG1 VAL 80 2HG1 VAL 80 1.319 0.722 -9.104 394 3HG1 VAL 80 3HG1 VAL 80 -0.340 1.214 -8.685 395 1HG2 VAL 80 1HG2 VAL 80 -2.314 -0.897 -9.582 396 2HG2 VAL 80 2HG2 VAL 80 -1.597 0.630 -10.148 397 3HG2 VAL 80 3HG2 VAL 80 -1.457 -0.841 -11.139 398 H GLU 81 H GLU 81 2.926 -2.471 -11.498 399 HA GLU 81 HA GLU 81 4.335 -2.756 -9.025 400 2HB GLU 81 2HB GLU 81 4.365 -4.567 -10.709 401 2HG GLU 81 2HG GLU 81 4.689 -2.491 -12.564 402 H ARG 82 H ARG 82 6.253 -1.673 -8.414 403 HA ARG 82 HA ARG 82 7.632 -0.025 -10.184 404 2HB ARG 82 2HB ARG 82 5.912 1.615 -10.068 405 2HG ARG 82 2HG ARG 82 5.735 0.968 -7.087 406 2HD ARG 82 2HD ARG 82 5.378 3.436 -7.738 407 HE ARG 82 HE ARG 82 3.410 2.186 -9.532 408 1HH1 ARG 82 2HH2 ARG 82 4.336 5.115 -7.815 409 2HH1 ARG 82 1HH2 ARG 82 3.433 6.163 -8.859 410 1HH2 ARG 82 2HH1 ARG 82 2.221 3.568 -10.908 411 2HH2 ARG 82 1HH1 ARG 82 2.222 5.277 -10.629 412 HA PRO 83 HA PRO 83 9.852 -1.191 -6.451 413 2HB PRO 83 2HB PRO 83 10.862 -3.059 -7.338 414 2HG PRO 83 2HG PRO 83 10.654 -3.272 -9.625 415 2HD PRO 83 2HD PRO 83 8.751 -2.031 -9.979 416 H CYS 84 H CYS 84 12.529 -0.729 -6.093 417 HA CYS 84 HA CYS 84 12.657 1.785 -5.293 418 2HB CYS 84 2HB CYS 84 15.200 1.400 -6.400 419 HA PRO 85 HA PRO 85 13.887 3.314 -9.611 420 2HB PRO 85 2HB PRO 85 15.435 2.045 -10.747 421 2HG PRO 85 2HG PRO 85 15.529 -0.168 -10.101 422 2HD PRO 85 2HD PRO 85 14.695 -0.003 -7.965 423 H GLU 86 H GLU 86 12.800 4.062 -11.624 424 HA GLU 86 HA GLU 86 10.321 2.840 -12.171 425 2HB GLU 86 2HB GLU 86 9.497 5.488 -11.417 426 2HG GLU 86 2HG GLU 86 8.213 3.982 -9.646 427 H TYR 87 H TYR 87 12.034 3.072 -14.057 428 HA TYR 87 HA TYR 87 11.001 4.848 -15.914 429 2HB TYR 87 2HB TYR 87 13.600 5.623 -14.456 430 HD1 TYR 87 1HD TYR 87 11.324 7.307 -16.917 431 HD2 TYR 87 2HD TYR 87 15.322 6.145 -15.935 432 HE1 TYR 87 1HE TYR 87 12.195 8.556 -18.953 433 HE2 TYR 87 2HE TYR 87 16.180 7.398 -17.974 434 HH TYR 87 HH TYR 87 14.051 8.571 -20.394 435 H PHE 88 H PHE 88 14.080 3.319 -14.767 436 HA PHE 88 HA PHE 88 14.285 2.124 -17.439 437 2HB PHE 88 2HB PHE 88 15.985 3.916 -17.101 438 HD1 PHE 88 1HD PHE 88 15.148 4.679 -14.651 439 HD2 PHE 88 2HD PHE 88 18.355 2.014 -15.439 440 HE1 PHE 88 1HE PHE 88 16.143 5.212 -12.410 441 HE2 PHE 88 2HE PHE 88 19.350 2.548 -13.198 442 HZ PHE 88 HZ PHE 88 18.232 4.140 -11.709 443 H ASN 89 H ASN 89 15.228 1.917 -13.944 444 HA ASN 89 HA ASN 89 15.004 0.149 -12.622 445 2HB ASN 89 2HB ASN 89 15.070 -1.900 -14.841 446 1HD2 ASN 89 1HD2 ASN 89 15.719 -1.825 -12.033 447 2HD2 ASN 89 2HD2 ASN 89 14.600 -2.846 -11.195 448 H GLY 90 H GLY 90 17.046 0.329 -15.502 449 1HA GLY 90 1HA GLY 90 18.943 -1.541 -15.324 450 2HA GLY 90 2HA GLY 90 19.304 0.139 -15.665 451 H ILE 91 H ILE 91 18.283 0.978 -12.900 452 HA ILE 91 HA ILE 91 20.234 -0.290 -11.168 453 HB ILE 91 HB ILE 91 20.276 2.699 -11.495 454 2HG1 ILE 91 2HG1 ILE 91 22.090 2.590 -12.997 455 1HG2 ILE 91 1HG2 ILE 91 21.132 1.412 -9.410 456 2HG2 ILE 91 2HG2 ILE 91 22.494 0.954 -10.460 457 3HG2 ILE 91 3HG2 ILE 91 22.156 2.672 -10.141 458 1HD1 ILE 91 1HD1 ILE 91 22.628 0.051 -13.794 459 2HD1 ILE 91 2HD1 ILE 91 23.541 0.866 -12.502 460 3HD1 ILE 91 3HD1 ILE 91 22.225 -0.259 -12.088 461 H LYS 92 H LYS 92 19.666 2.526 -9.665 462 HA LYS 92 HA LYS 92 17.013 1.708 -8.712 463 2HB LYS 92 2HB LYS 92 18.184 2.760 -6.477 464 2HG LYS 92 2HG LYS 92 18.612 -0.166 -7.029 465 2HD LYS 92 2HD LYS 92 17.094 -0.140 -4.867 466 2HE LYS 92 2HE LYS 92 19.848 -0.168 -5.269 467 1HZ LYS 92 1HZ LYS 92 20.601 1.749 -4.516 468 2HZ LYS 92 2HZ LYS 92 19.136 2.247 -3.990 469 3HZ LYS 92 3HZ LYS 92 20.081 1.329 -3.025 470 H TYR 93 H TYR 93 16.166 3.659 -7.198 471 HA TYR 93 HA TYR 93 16.642 6.099 -8.776 472 2HB TYR 93 2HB TYR 93 14.155 6.027 -7.241 473 HD1 TYR 93 1HD TYR 93 15.837 5.676 -10.520 474 HD2 TYR 93 2HD TYR 93 12.245 6.800 -8.486 475 HE1 TYR 93 1HE TYR 93 14.956 6.745 -12.653 476 HE2 TYR 93 2HE TYR 93 11.376 7.865 -10.626 477 HH TYR 93 HH TYR 93 11.679 8.051 -12.791 478 H ASN 94 H ASN 94 15.391 7.982 -7.240 479 HA ASN 94 HA ASN 94 17.098 7.951 -4.902 480 2HB ASN 94 2HB ASN 94 16.367 10.455 -4.843 481 1HD2 ASN 94 1HD2 ASN 94 17.451 8.307 -7.439 482 2HD2 ASN 94 2HD2 ASN 94 18.947 9.106 -7.790 483 H THR 95 H THR 95 13.823 7.526 -5.958 484 HA THR 95 HA THR 95 12.656 8.431 -3.447 485 HB THR 95 HB THR 95 11.486 7.286 -6.037 486 HG1 THR 95 1HG THR 95 11.446 9.934 -4.784 487 1HG2 THR 95 1HG2 THR 95 9.728 6.939 -4.487 488 2HG2 THR 95 2HG2 THR 95 10.256 8.285 -3.449 489 3HG2 THR 95 3HG2 THR 95 9.434 8.621 -4.992 490 H THR 96 H THR 96 11.102 6.968 -2.295 491 HA THR 96 HA THR 96 12.070 4.189 -2.392 492 HB THR 96 HB THR 96 11.728 6.102 -0.041 493 HG1 THR 96 1HG THR 96 13.694 4.198 -1.104 494 1HG2 THR 96 1HG2 THR 96 12.422 3.934 1.273 495 2HG2 THR 96 2HG2 THR 96 10.700 4.144 0.871 496 3HG2 THR 96 3HG2 THR 96 11.715 3.056 -0.105 497 H ARG 97 H ARG 97 10.153 4.100 -3.914 498 HA ARG 97 HA ARG 97 7.847 3.530 -2.253 499 2HB ARG 97 2HB ARG 97 6.605 4.328 -4.559 500 2HG ARG 97 2HG ARG 97 6.703 5.226 -1.948 501 2HD ARG 97 2HD ARG 97 7.380 7.629 -3.702 502 HE ARG 97 HE ARG 97 6.555 7.295 -0.907 503 1HH1 ARG 97 2HH2 ARG 97 8.278 9.354 -3.182 504 2HH1 ARG 97 1HH2 ARG 97 8.098 10.784 -2.222 505 1HH2 ARG 97 2HH1 ARG 97 6.317 9.181 0.360 506 2HH2 ARG 97 1HH1 ARG 97 6.975 10.685 -0.193 507 H ASN 98 H ASN 98 9.449 1.474 -2.809 508 HA ASN 98 HA ASN 98 9.311 0.378 -5.332 509 2HB ASN 98 2HB ASN 98 10.908 -0.586 -3.848 510 1HD2 ASN 98 1HD2 ASN 98 11.302 0.365 -1.943 511 2HD2 ASN 98 2HD2 ASN 98 10.502 -0.003 -0.451 512 H ALA 99 H ALA 99 8.006 -1.582 -6.021 513 HA ALA 99 HA ALA 99 5.788 -2.450 -4.527 514 1HB ALA 99 1HB ALA 99 4.892 -0.837 -6.901 515 2HB ALA 99 2HB ALA 99 4.002 -1.277 -5.425 516 3HB ALA 99 3HB ALA 99 5.233 0.008 -5.373 517 H TYR 100 H TYR 100 4.292 -3.823 -6.044 518 HA TYR 100 HA TYR 100 4.990 -4.536 -8.589 519 2HB TYR 100 2HB TYR 100 6.093 -6.739 -6.924 520 HD1 TYR 100 1HD TYR 100 8.694 -4.632 -8.132 521 HD2 TYR 100 2HD TYR 100 5.767 -7.479 -9.413 522 HE1 TYR 100 1HE TYR 100 10.025 -5.056 -10.256 523 HE2 TYR 100 2HE TYR 100 7.108 -7.893 -11.532 524 HH TYR 100 HH TYR 100 10.241 -6.312 -12.021 525 H ARG 101 H ARG 101 2.582 -4.276 -7.376 526 HA ARG 101 HA ARG 101 1.786 -6.970 -6.669 527 2HB ARG 101 2HB ARG 101 1.143 -5.060 -5.148 528 2HG ARG 101 2HG ARG 101 0.183 -3.970 -7.706 529 2HD ARG 101 2HD ARG 101 -1.941 -4.909 -6.295 530 HE ARG 101 HE ARG 101 -2.259 -3.611 -4.394 531 1HH1 ARG 101 2HH2 ARG 101 -0.523 -1.678 -6.768 532 2HH1 ARG 101 1HH2 ARG 101 -0.442 -0.275 -5.755 533 1HH2 ARG 101 2HH1 ARG 101 -2.152 -1.760 -3.057 534 2HH2 ARG 101 1HH1 ARG 101 -1.375 -0.321 -3.630 535 H GLU 102 H GLU 102 -1.013 -6.705 -7.364 536 HA GLU 102 HA GLU 102 -1.071 -6.009 -10.142 537 2HB GLU 102 2HB GLU 102 -0.472 -8.136 -10.755 538 2HG GLU 102 2HG GLU 102 -1.669 -9.234 -8.168 539 H CYS 103 H CYS 103 -3.188 -5.521 -10.851 540 HA CYS 103 HA CYS 103 -5.105 -5.346 -8.703 541 2HB CYS 103 2HB CYS 103 -6.004 -4.426 -11.318 542 H LEU 104 H LEU 104 -7.071 -6.513 -8.644 543 HA LEU 104 HA LEU 104 -7.102 -8.956 -10.063 544 2HB LEU 104 2HB LEU 104 -9.634 -8.528 -8.968 545 HG LEU 104 HG LEU 104 -8.862 -9.875 -7.042 546 1HD1 LEU 104 1HD1 LEU 104 -7.859 -11.791 -8.620 547 2HD1 LEU 104 2HD1 LEU 104 -9.578 -11.328 -8.628 548 3HD1 LEU 104 3HD1 LEU 104 -8.478 -10.691 -9.875 549 1HD2 LEU 104 1HD2 LEU 104 -6.130 -9.865 -8.343 550 2HD2 LEU 104 2HD2 LEU 104 -6.571 -8.857 -6.944 551 3HD2 LEU 104 3HD2 LEU 104 -6.612 -10.632 -6.811 552 H GLU 105 H GLU 105 -8.848 -9.712 -11.516 553 HA GLU 105 HA GLU 105 -9.273 -7.749 -13.519 554 2HB GLU 105 2HB GLU 105 -10.783 -10.089 -14.117 555 2HG GLU 105 2HG GLU 105 -7.900 -9.417 -14.870 556 H ASN 106 H ASN 106 -10.765 -8.169 -10.623 557 HA ASN 106 HA ASN 106 -13.445 -7.863 -11.676 558 2HB ASN 106 2HB ASN 106 -13.061 -7.753 -8.726 559 1HD2 ASN 106 1HD2 ASN 106 -13.885 -10.334 -11.019 560 2HD2 ASN 106 2HD2 ASN 106 -15.578 -10.419 -10.663 561 H GLY 107 H GLY 107 -10.790 -5.963 -11.098 562 1HA GLY 107 1HA GLY 107 -10.642 -3.689 -11.049 563 2HA GLY 107 2HA GLY 107 -12.363 -3.567 -10.742 564 H THR 108 H THR 108 -10.026 -5.569 -8.868 565 HA THR 108 HA THR 108 -10.339 -3.690 -6.626 566 HB THR 108 HB THR 108 -10.628 -5.709 -5.158 567 HG1 THR 108 1HG THR 108 -10.815 -6.991 -7.791 568 1HG2 THR 108 1HG2 THR 108 -12.541 -5.593 -7.548 569 2HG2 THR 108 2HG2 THR 108 -12.852 -6.520 -6.061 570 3HG2 THR 108 3HG2 THR 108 -12.742 -4.745 -5.997 571 H TRP 109 H TRP 109 -8.548 -3.339 -5.359 572 HA TRP 109 HA TRP 109 -6.071 -3.721 -6.533 573 2HB TRP 109 2HB TRP 109 -5.330 -3.278 -4.038 574 HD1 TRP 109 HD TRP 109 -7.644 -0.423 -4.323 575 HE1 TRP 109 1HE TRP 109 -6.631 1.641 -5.620 576 HE3 TRP 109 3HE TRP 109 -3.698 -2.939 -6.311 577 HZ2 TRP 109 2HZ TRP 109 -4.346 1.982 -7.293 578 HZ3 TRP 109 3HZ TRP 109 -2.123 -1.666 -7.765 579 HH2 TRP 109 HH TRP 109 -2.397 0.710 -8.266 580 H ALA 110 H ALA 110 -4.314 -4.797 -4.668 581 HA ALA 110 HA ALA 110 -5.094 -7.614 -4.761 582 1HB ALA 110 1HB ALA 110 -2.942 -6.562 -5.836 583 2HB ALA 110 2HB ALA 110 -2.321 -6.580 -4.168 584 3HB ALA 110 3HB ALA 110 -2.815 -8.100 -4.951 585 H SER 111 H SER 111 -3.571 -8.768 -2.827 586 HA SER 111 HA SER 111 -4.910 -7.815 -0.484 587 2HB SER 111 2HB SER 111 -3.024 -10.039 -0.098 588 HG SER 111 HG SER 111 -5.798 -9.480 0.280 589 H ARG 112 H ARG 112 -1.494 -8.607 -1.467 590 HA ARG 112 HA ARG 112 -0.636 -6.391 0.150 591 2HB ARG 112 2HB ARG 112 1.018 -8.859 0.524 592 2HG ARG 112 2HG ARG 112 0.019 -7.324 2.856 593 2HD ARG 112 2HD ARG 112 2.898 -7.508 1.946 594 HE ARG 112 HE ARG 112 1.475 -7.187 4.496 595 1HH1 ARG 112 2HH2 ARG 112 4.517 -8.064 2.961 596 2HH1 ARG 112 1HH2 ARG 112 5.469 -7.733 4.369 597 1HH2 ARG 112 2HH1 ARG 112 2.731 -6.751 6.354 598 2HH2 ARG 112 1HH1 ARG 112 4.447 -6.982 6.312 599 H VAL 113 H VAL 113 0.854 -5.245 -1.053 600 HA VAL 113 HA VAL 113 1.820 -6.374 -3.488 601 HB VAL 113 HB VAL 113 2.541 -3.768 -2.137 602 1HG1 VAL 113 1HG1 VAL 113 2.597 -3.257 -4.792 603 2HG1 VAL 113 2HG1 VAL 113 4.019 -3.784 -3.860 604 3HG1 VAL 113 3HG1 VAL 113 3.082 -4.970 -4.799 605 1HG2 VAL 113 1HG2 VAL 113 0.718 -3.081 -4.033 606 2HG2 VAL 113 2HG2 VAL 113 0.064 -4.648 -3.502 607 3HG2 VAL 113 3HG2 VAL 113 0.326 -3.346 -2.317 608 H ASN 114 H ASN 114 4.179 -6.377 -4.077 609 HA ASN 114 HA ASN 114 5.751 -7.073 -1.722 610 2HB ASN 114 2HB ASN 114 6.364 -9.057 -2.704 611 1HD2 ASN 114 1HD2 ASN 114 4.722 -7.529 -5.464 612 2HD2 ASN 114 2HD2 ASN 114 3.378 -8.618 -5.554 613 H TYR 115 H TYR 115 8.149 -6.652 -2.020 614 HA TYR 115 HA TYR 115 9.129 -5.312 -4.289 615 2HB TYR 115 2HB TYR 115 8.114 -3.272 -3.705 616 HD1 TYR 115 1HD TYR 115 9.085 -3.725 -0.168 617 HD2 TYR 115 2HD TYR 115 5.845 -3.666 -2.962 618 HE1 TYR 115 1HE TYR 115 7.421 -3.636 1.751 619 HE2 TYR 115 2HE TYR 115 4.192 -3.578 -1.032 620 HH TYR 115 HH TYR 115 4.099 -2.949 1.228 621 H SER 116 H SER 116 10.808 -6.865 -3.954 622 HA SER 116 HA SER 116 12.452 -6.214 -1.634 623 2HB SER 116 2HB SER 116 13.173 -8.807 -2.516 624 HG SER 116 HG SER 116 11.293 -8.621 -0.416 625 H HIS 117 H HIS 117 12.134 -5.758 -4.877 626 HA HIS 117 HA HIS 117 14.842 -6.450 -5.611 627 2HB HIS 117 2HB HIS 117 14.154 -5.584 -7.843 628 HD1 HIS 117 1HD HIS 117 12.401 -7.913 -5.427 629 HD2 HIS 117 2HD HIS 117 13.131 -7.568 -9.544 630 HE1 HIS 117 1HE HIS 117 11.706 -10.139 -6.467 631 H CYS 118 H CYS 118 13.896 -4.274 -3.550 632 HA CYS 118 HA CYS 118 14.818 -1.868 -4.804 633 2HB CYS 118 2HB CYS 118 14.646 -1.771 -1.908 634 H GLU 119 H GLU 119 15.815 -3.479 -1.697 635 HA GLU 119 HA GLU 119 18.249 -2.369 -1.503 636 2HB GLU 119 2HB GLU 119 18.451 -5.132 -0.657 637 2HG GLU 119 2HG GLU 119 19.010 -2.621 0.362 638 HA PRO 120 HA PRO 120 20.097 -5.838 -4.149 639 2HB PRO 120 2HB PRO 120 19.231 -7.950 -3.851 640 2HG PRO 120 2HG PRO 120 17.093 -8.001 -2.986 641 2HD PRO 120 2HD PRO 120 17.037 -5.968 -1.916 642 H ILE 121 H ILE 121 21.040 -5.137 -5.964 643 HA ILE 121 HA ILE 121 19.164 -3.887 -7.843 644 HB ILE 121 HB ILE 121 20.918 -2.501 -6.634 645 2HG1 ILE 121 2HG1 ILE 121 19.732 -2.252 -9.089 646 1HG2 ILE 121 1HG2 ILE 121 23.065 -2.836 -8.406 647 2HG2 ILE 121 2HG2 ILE 121 23.020 -3.213 -6.668 648 3HG2 ILE 121 3HG2 ILE 121 22.635 -4.475 -7.862 649 1HD1 ILE 121 1HD1 ILE 121 19.966 0.000 -8.675 650 2HD1 ILE 121 2HD1 ILE 121 20.556 -0.580 -7.098 651 3HD1 ILE 121 3HD1 ILE 121 21.715 -0.134 -8.373 652 H LEU 122 H LEU 122 19.365 -4.320 -10.093 653 HA LEU 122 HA LEU 122 20.524 -6.929 -10.594 654 2HB LEU 122 2HB LEU 122 18.291 -6.654 -11.316 655 HG LEU 122 HG LEU 122 19.082 -3.995 -12.161 656 1HD1 LEU 122 1HD1 LEU 122 19.292 -5.047 -14.376 657 2HD1 LEU 122 2HD1 LEU 122 17.622 -5.648 -14.241 658 3HD1 LEU 122 3HD1 LEU 122 17.936 -3.897 -14.301 659 1HD2 LEU 122 1HD2 LEU 122 16.273 -4.707 -12.472 660 2HD2 LEU 122 2HD2 LEU 122 16.941 -5.232 -10.908 661 3HD2 LEU 122 3HD2 LEU 122 17.047 -3.523 -11.392 662 H ASP 123 H ASP 123 21.234 -6.824 -13.255 663 HA ASP 123 HA ASP 123 22.833 -6.292 -14.620 664 2HB ASP 123 2HB ASP 123 23.846 -3.759 -13.888 665 H ASP 124 H ASP 124 25.106 -6.719 -14.633 666 HA ASP 124 HA ASP 124 26.279 -7.617 -12.377 667 2HB ASP 124 2HB ASP 124 28.418 -7.490 -13.623 668 H LYS 125 H LYS 125 27.289 -6.617 -10.607 669 HA LYS 125 HA LYS 125 28.796 -4.306 -10.741 670 2HB LYS 125 2HB LYS 125 26.559 -3.259 -9.269 671 2HG LYS 125 2HG LYS 125 27.933 -2.429 -11.870 672 2HD LYS 125 2HD LYS 125 26.363 -0.696 -9.913 673 2HE LYS 125 2HE LYS 125 26.732 0.062 -12.770 674 1HZ LYS 125 1HZ LYS 125 26.782 2.118 -11.846 675 2HZ LYS 125 2HZ LYS 125 25.899 1.348 -10.708 676 3HZ LYS 125 3HZ LYS 125 27.486 1.639 -10.452 677 H GLN 126 H GLN 126 29.485 -6.570 -9.639 678 HA GLN 126 HA GLN 126 28.580 -6.705 -6.928 679 2HB GLN 126 2HB GLN 126 29.064 -8.764 -8.233 680 2HG GLN 126 2HG GLN 126 32.019 -8.276 -7.926 681 1HE2 GLN 126 1HE2 GLN 126 32.483 -8.792 -10.653 682 2HE2 GLN 126 2HE2 GLN 126 32.055 -10.431 -11.009 683 H ARG 127 H ARG 127 29.513 -5.668 -5.211 684 HA ARG 127 HA ARG 127 32.313 -5.096 -5.339 685 2HB ARG 127 2HB ARG 127 31.392 -3.070 -6.387 686 2HG ARG 127 2HG ARG 127 29.193 -3.534 -4.649 687 2HD ARG 127 2HD ARG 127 30.936 -1.689 -3.384 688 HE ARG 127 HE ARG 127 30.309 0.319 -4.410 689 1HH1 ARG 127 2HH2 ARG 127 27.468 -1.729 -4.065 690 2HH1 ARG 127 1HH2 ARG 127 26.363 -0.504 -4.591 691 1HH2 ARG 127 2HH1 ARG 127 28.852 1.935 -5.106 692 2HH2 ARG 127 1HH1 ARG 127 27.155 1.594 -5.188 693 H LYS 128 H LYS 128 33.195 -5.342 -3.283 694 HA LYS 128 HA LYS 128 31.676 -4.677 -0.958 695 2HB LYS 128 2HB LYS 128 32.169 -7.590 -1.624 696 2HG LYS 128 2HG LYS 128 31.198 -6.335 0.986 697 2HD LYS 128 2HD LYS 128 31.172 -9.081 -0.152 698 2HE LYS 128 2HE LYS 128 32.832 -8.494 2.176 699 1HZ LYS 128 1HZ LYS 128 31.822 -9.982 3.671 700 2HZ LYS 128 2HZ LYS 128 30.670 -8.897 3.270 701 3HZ LYS 128 3HZ LYS 128 30.641 -10.394 2.621 702 H TYR 129 H TYR 129 34.395 -6.838 -2.045 703 HA TYR 129 HA TYR 129 36.514 -6.951 -1.396 704 2HB TYR 129 2HB TYR 129 35.883 -3.958 -1.042 705 HD1 TYR 129 1HD TYR 129 37.394 -2.707 0.183 706 HD2 TYR 129 2HD TYR 129 38.816 -6.137 -1.942 707 HE1 TYR 129 1HE TYR 129 39.761 -2.224 0.975 708 HE2 TYR 129 2HE TYR 129 41.179 -5.643 -1.143 709 HH TYR 129 HH TYR 129 41.793 -3.146 1.229 710 H ASP 130 H ASP 130 38.152 -6.497 0.448 711 HA ASP 130 HA ASP 130 37.285 -5.566 2.883 712 2HB ASP 130 2HB ASP 130 35.790 -7.352 3.235 713 H LEU 131 H LEU 131 39.105 -5.590 4.356 714 HA LEU 131 HA LEU 131 41.433 -7.105 3.401 715 2HB LEU 131 2HB LEU 131 41.394 -4.277 4.464 716 HG LEU 131 HG LEU 131 43.529 -5.951 4.680 717 1HD1 LEU 131 1HD1 LEU 131 44.711 -4.582 2.466 718 2HD1 LEU 131 2HD1 LEU 131 44.587 -6.331 2.771 719 3HD1 LEU 131 3HD1 LEU 131 43.292 -5.488 1.889 720 1HD2 LEU 131 1HD2 LEU 131 44.583 -3.382 4.051 721 2HD2 LEU 131 2HD2 LEU 131 43.004 -3.152 4.838 722 3HD2 LEU 131 3HD2 LEU 131 44.272 -4.102 5.649 723 H HIS 132 H HIS 132 42.058 -5.106 6.098 724 HA HIS 132 HA HIS 132 42.270 -5.466 8.254 725 2HB HIS 132 2HB HIS 132 40.631 -7.761 8.770 726 HD1 HIS 132 1HD HIS 132 38.729 -7.072 10.515 727 HD2 HIS 132 2HD HIS 132 41.288 -3.975 9.307 728 HE1 HIS 132 1HE HIS 132 38.398 -5.176 12.191 729 HE2 HIS 132 2HE HIS 132 40.036 -3.324 11.429 730 H TYR 133 H TYR 133 43.732 -6.601 9.571 731 HA TYR 133 HA TYR 133 45.061 -8.802 8.195 732 2HB TYR 133 2HB TYR 133 45.597 -6.806 10.451 733 HD1 TYR 133 1HD TYR 133 47.347 -9.702 8.805 734 HD2 TYR 133 2HD TYR 133 46.850 -7.322 12.325 735 HE1 TYR 133 1HE TYR 133 49.028 -11.159 10.036 736 HE2 TYR 133 2HE TYR 133 48.532 -8.786 13.544 737 HH TYR 133 HH TYR 133 49.838 -11.683 12.019 Start of MODEL 20 1 1H GLY 15 H GLY 15 -47.578 25.326 13.170 2 1HA GLY 15 1HA GLY 15 -50.171 26.182 13.629 3 2HA GLY 15 2HA GLY 15 -49.482 27.319 12.487 4 H SER 16 H SER 16 -51.581 25.865 11.557 5 HA SER 16 HA SER 16 -50.421 23.596 10.173 6 2HB SER 16 2HB SER 16 -52.822 23.116 9.540 7 HG SER 16 HG SER 16 -53.203 23.362 12.252 8 H GLY 17 H GLY 17 -49.112 25.097 8.787 9 1HA GLY 17 1HA GLY 17 -50.490 25.669 6.337 10 2HA GLY 17 2HA GLY 17 -50.041 27.124 7.206 11 H MET 18 H MET 18 -47.942 27.880 7.088 12 HA MET 18 HA MET 18 -45.766 27.873 6.768 13 2HB MET 18 2HB MET 18 -45.776 24.975 5.821 14 2HG MET 18 2HG MET 18 -43.833 26.516 7.606 15 1HE MET 18 1HE MET 18 -41.371 24.911 5.673 16 2HE MET 18 2HE MET 18 -41.356 25.655 7.291 17 3HE MET 18 3HE MET 18 -40.925 23.939 7.095 18 H LYS 19 H LYS 19 -47.256 25.571 4.368 19 HA LYS 19 HA LYS 19 -47.383 25.628 2.166 20 2HB LYS 19 2HB LYS 19 -47.102 27.984 1.068 21 2HG LYS 19 2HG LYS 19 -49.355 28.564 2.573 22 2HD LYS 19 2HD LYS 19 -48.789 27.695 -0.011 23 2HE LYS 19 2HE LYS 19 -51.049 25.906 0.595 24 1HZ LYS 19 1HZ LYS 19 -48.861 24.680 -0.577 25 2HZ LYS 19 2HZ LYS 19 -50.251 25.153 -1.292 26 3HZ LYS 19 3HZ LYS 19 -48.978 26.175 -1.224 27 H GLU 20 H GLU 20 -44.846 28.185 2.538 28 HA GLU 20 HA GLU 20 -42.844 28.317 1.679 29 2HB GLU 20 2HB GLU 20 -41.862 25.628 2.151 30 2HG GLU 20 2HG GLU 20 -40.900 26.994 4.225 31 H THR 21 H THR 21 -43.503 28.529 -0.555 32 HA THR 21 HA THR 21 -42.729 26.192 -2.148 33 HB THR 21 HB THR 21 -45.281 27.865 -2.412 34 HG1 THR 21 1HG THR 21 -46.030 25.507 -2.243 35 1HG2 THR 21 1HG2 THR 21 -43.801 26.695 -4.521 36 2HG2 THR 21 2HG2 THR 21 -45.016 25.465 -4.095 37 3HG2 THR 21 3HG2 THR 21 -45.534 27.104 -4.558 38 H ALA 22 H ALA 22 -41.285 26.646 -3.696 39 HA ALA 22 HA ALA 22 -41.309 29.040 -5.154 40 1HB ALA 22 1HB ALA 22 -39.544 30.284 -4.219 41 2HB ALA 22 2HB ALA 22 -40.468 29.754 -2.792 42 3HB ALA 22 3HB ALA 22 -38.967 28.911 -3.244 43 H ALA 23 H ALA 23 -39.211 29.176 -6.534 44 HA ALA 23 HA ALA 23 -37.876 26.596 -6.722 45 1HB ALA 23 1HB ALA 23 -38.334 26.866 -9.313 46 2HB ALA 23 2HB ALA 23 -39.547 26.096 -8.262 47 3HB ALA 23 3HB ALA 23 -39.747 27.793 -8.756 48 H ALA 24 H ALA 24 -38.302 29.789 -8.420 49 HA ALA 24 HA ALA 24 -36.814 31.236 -9.197 50 1HB ALA 24 1HB ALA 24 -35.358 32.091 -7.601 51 2HB ALA 24 2HB ALA 24 -36.469 31.155 -6.572 52 3HB ALA 24 3HB ALA 24 -34.883 30.479 -7.015 53 H LYS 25 H LYS 25 -34.253 31.489 -9.747 54 HA LYS 25 HA LYS 25 -33.167 28.909 -10.519 55 2HB LYS 25 2HB LYS 25 -33.185 30.899 -12.713 56 2HG LYS 25 2HG LYS 25 -32.242 28.488 -12.719 57 2HD LYS 25 2HD LYS 25 -35.222 27.993 -12.516 58 2HE LYS 25 2HE LYS 25 -33.360 26.721 -14.424 59 1HZ LYS 25 1HZ LYS 25 -34.906 24.654 -13.466 60 2HZ LYS 25 2HZ LYS 25 -33.276 24.751 -13.484 61 3HZ LYS 25 3HZ LYS 25 -34.110 25.259 -12.175 62 H PHE 26 H PHE 26 -30.951 28.874 -10.388 63 HA PHE 26 HA PHE 26 -29.470 31.317 -10.578 64 2HB PHE 26 2HB PHE 26 -28.518 30.828 -8.185 65 HD1 PHE 26 1HD PHE 26 -29.350 33.245 -9.171 66 HD2 PHE 26 2HD PHE 26 -31.636 30.592 -6.775 67 HE1 PHE 26 1HE PHE 26 -30.772 35.164 -8.402 68 HE2 PHE 26 2HE PHE 26 -33.058 32.511 -6.005 69 HZ PHE 26 HZ PHE 26 -32.609 34.776 -6.828 70 H GLU 27 H GLU 27 -27.033 30.805 -9.985 71 HA GLU 27 HA GLU 27 -26.452 28.015 -10.446 72 2HB GLU 27 2HB GLU 27 -24.767 28.701 -12.254 73 2HG GLU 27 2HG GLU 27 -27.392 27.926 -12.476 74 H ARG 28 H ARG 28 -24.381 27.374 -9.640 75 HA ARG 28 HA ARG 28 -22.768 29.502 -8.546 76 2HB ARG 28 2HB ARG 28 -22.537 27.966 -6.412 77 2HG ARG 28 2HG ARG 28 -24.663 28.985 -5.429 78 2HD ARG 28 2HD ARG 28 -23.847 31.427 -6.469 79 HE ARG 28 HE ARG 28 -22.066 30.302 -4.438 80 1HH1 ARG 28 2HH2 ARG 28 -25.308 31.525 -5.052 81 2HH1 ARG 28 1HH2 ARG 28 -25.605 31.937 -3.397 82 1HH2 ARG 28 2HH1 ARG 28 -22.457 30.845 -2.253 83 2HH2 ARG 28 1HH1 ARG 28 -23.973 31.547 -1.793 84 H GLN 29 H GLN 29 -20.855 29.105 -9.641 85 HA GLN 29 HA GLN 29 -19.964 26.326 -9.649 86 2HB GLN 29 2HB GLN 29 -18.829 28.103 -11.738 87 2HG GLN 29 2HG GLN 29 -19.119 25.345 -11.265 88 1HE2 GLN 29 1HE2 GLN 29 -19.950 26.496 -14.462 89 2HE2 GLN 29 2HE2 GLN 29 -21.439 25.633 -14.656 90 H HIS 30 H HIS 30 -19.043 29.814 -9.542 91 HA HIS 30 HA HIS 30 -16.330 29.429 -9.128 92 2HB HIS 30 2HB HIS 30 -17.353 31.739 -7.709 93 HD1 HIS 30 1HD HIS 30 -16.990 33.169 -10.808 94 HD2 HIS 30 2HD HIS 30 -14.278 31.047 -8.413 95 HE1 HIS 30 1HE HIS 30 -14.661 33.857 -11.585 96 H MET 31 H MET 31 -15.288 30.293 -6.900 97 HA MET 31 HA MET 31 -14.796 29.802 -4.841 98 2HB MET 31 2HB MET 31 -16.961 29.308 -3.312 99 2HG MET 31 2HG MET 31 -17.358 32.006 -4.366 100 1HE MET 31 1HE MET 31 -16.186 33.863 -2.535 101 2HE MET 31 2HE MET 31 -17.947 33.609 -2.502 102 3HE MET 31 3HE MET 31 -17.029 33.675 -0.979 103 H ASP 32 H ASP 32 -13.766 27.963 -4.193 104 HA ASP 32 HA ASP 32 -15.299 25.496 -4.398 105 2HB ASP 32 2HB ASP 32 -12.367 25.212 -4.709 106 H SER 33 H SER 33 -14.121 23.700 -2.987 107 HA SER 33 HA SER 33 -13.596 24.916 -0.457 108 2HB SER 33 2HB SER 33 -13.418 22.419 0.239 109 HG SER 33 HG SER 33 -15.761 23.630 -0.914 110 HA PRO 34 HA PRO 34 -9.276 24.411 -0.547 111 2HB PRO 34 2HB PRO 34 -8.999 25.540 1.442 112 2HG PRO 34 2HG PRO 34 -10.840 25.513 2.829 113 2HD PRO 34 2HD PRO 34 -12.508 25.158 1.287 114 H ASP 35 H ASP 35 -7.475 22.889 0.936 115 HA ASP 35 HA ASP 35 -8.318 20.248 0.030 116 2HB ASP 35 2HB ASP 35 -6.117 19.795 -0.722 117 H LEU 36 H LEU 36 -8.373 18.728 1.702 118 HA LEU 36 HA LEU 36 -6.445 18.502 3.676 119 2HB LEU 36 2HB LEU 36 -8.807 20.198 4.429 120 HG LEU 36 HG LEU 36 -7.507 18.196 6.129 121 1HD1 LEU 36 1HD1 LEU 36 -6.075 19.846 6.956 122 2HD1 LEU 36 2HD1 LEU 36 -7.322 21.113 6.866 123 3HD1 LEU 36 3HD1 LEU 36 -7.437 19.838 8.103 124 1HD2 LEU 36 1HD2 LEU 36 -9.587 18.032 6.885 125 2HD2 LEU 36 2HD2 LEU 36 -9.606 19.745 7.370 126 3HD2 LEU 36 3HD2 LEU 36 -10.061 19.283 5.712 127 H GLY 37 H GLY 37 -6.990 16.458 2.427 128 1HA GLY 37 1HA GLY 37 -9.291 15.065 2.417 129 2HA GLY 37 2HA GLY 37 -7.721 14.327 2.662 130 H THR 38 H THR 38 -6.843 14.383 5.004 131 HA THR 38 HA THR 38 -7.235 13.326 6.979 132 HB THR 38 HB THR 38 -8.630 16.045 7.103 133 HG1 THR 38 1HG THR 38 -6.096 14.948 8.092 134 1HG2 THR 38 1HG2 THR 38 -7.583 15.459 9.630 135 2HG2 THR 38 2HG2 THR 38 -9.313 15.436 9.213 136 3HG2 THR 38 3HG2 THR 38 -8.366 13.930 9.166 137 H THR 39 H THR 39 -8.381 11.440 6.487 138 HA THR 39 HA THR 39 -10.087 10.073 7.098 139 HB THR 39 HB THR 39 -11.973 12.448 7.347 140 HG1 THR 39 1HG THR 39 -9.869 11.398 9.103 141 1HG2 THR 39 1HG2 THR 39 -13.063 10.346 7.826 142 2HG2 THR 39 2HG2 THR 39 -11.634 9.725 8.687 143 3HG2 THR 39 3HG2 THR 39 -12.620 11.015 9.416 144 H LEU 40 H LEU 40 -12.921 11.273 6.149 145 HA LEU 40 HA LEU 40 -14.157 10.762 4.371 146 2HB LEU 40 2HB LEU 40 -13.943 12.297 2.726 147 HG LEU 40 HG LEU 40 -11.862 13.280 4.694 148 1HD1 LEU 40 1HD1 LEU 40 -13.233 15.053 2.689 149 2HD1 LEU 40 2HD1 LEU 40 -11.747 15.337 3.629 150 3HD1 LEU 40 3HD1 LEU 40 -11.734 14.189 2.269 151 1HD2 LEU 40 1HD2 LEU 40 -13.831 14.896 5.195 152 2HD2 LEU 40 2HD2 LEU 40 -14.831 13.652 4.405 153 3HD2 LEU 40 3HD2 LEU 40 -13.872 13.239 5.846 154 H LEU 41 H LEU 41 -13.494 10.272 1.623 155 HA LEU 41 HA LEU 41 -12.446 7.581 1.949 156 2HB LEU 41 2HB LEU 41 -14.549 7.703 0.875 157 HG LEU 41 HG LEU 41 -13.648 10.110 -0.339 158 1HD1 LEU 41 1HD1 LEU 41 -12.789 9.059 -2.246 159 2HD1 LEU 41 2HD1 LEU 41 -14.109 7.866 -2.298 160 3HD1 LEU 41 3HD1 LEU 41 -14.429 9.565 -2.717 161 1HD2 LEU 41 1HD2 LEU 41 -16.251 8.907 -1.131 162 2HD2 LEU 41 2HD2 LEU 41 -15.961 9.166 0.605 163 3HD2 LEU 41 3HD2 LEU 41 -15.869 10.537 -0.526 164 H GLU 42 H GLU 42 -10.770 10.124 2.044 165 HA GLU 42 HA GLU 42 -8.880 10.878 1.279 166 2HB GLU 42 2HB GLU 42 -7.450 8.955 0.027 167 2HG GLU 42 2HG GLU 42 -7.000 9.922 2.300 168 H GLN 43 H GLN 43 -10.658 11.951 -0.279 169 HA GLN 43 HA GLN 43 -10.699 11.133 -2.932 170 2HB GLN 43 2HB GLN 43 -11.746 13.299 -3.377 171 2HG GLN 43 2HG GLN 43 -12.500 11.599 -1.117 172 1HE2 GLN 43 1HE2 GLN 43 -13.145 12.103 0.825 173 2HE2 GLN 43 2HE2 GLN 43 -13.648 13.659 1.398 174 H TYR 44 H TYR 44 -8.361 10.663 -3.285 175 HA TYR 44 HA TYR 44 -7.110 12.845 -4.617 176 2HB TYR 44 2HB TYR 44 -5.013 12.512 -3.050 177 HD1 TYR 44 1HD TYR 44 -7.384 12.902 -0.393 178 HD2 TYR 44 2HD TYR 44 -5.572 14.955 -3.681 179 HE1 TYR 44 1HE TYR 44 -8.030 15.135 0.637 180 HE2 TYR 44 2HE TYR 44 -6.225 17.181 -2.641 181 HH TYR 44 HH TYR 44 -7.917 17.283 0.485 182 H CYS 45 H CYS 45 -5.219 12.154 -5.846 183 HA CYS 45 HA CYS 45 -3.892 10.702 -6.856 184 2HB CYS 45 2HB CYS 45 -3.403 8.537 -6.042 185 H HIS 46 H HIS 46 -4.940 10.835 -8.863 186 HA HIS 46 HA HIS 46 -6.856 8.700 -9.372 187 2HB HIS 46 2HB HIS 46 -7.264 11.555 -10.298 188 HD1 HIS 46 1HD HIS 46 -10.312 9.873 -9.377 189 HD2 HIS 46 2HD HIS 46 -7.866 9.916 -12.785 190 HE1 HIS 46 1HE HIS 46 -11.746 8.998 -11.296 191 H ARG 47 H ARG 47 -7.076 8.254 -11.766 192 HA ARG 47 HA ARG 47 -4.455 8.357 -12.875 193 2HB ARG 47 2HB ARG 47 -7.082 7.053 -13.687 194 2HG ARG 47 2HG ARG 47 -4.934 7.841 -15.471 195 2HD ARG 47 2HD ARG 47 -5.326 4.993 -16.020 196 HE ARG 47 HE ARG 47 -3.398 5.824 -17.071 197 1HH1 ARG 47 2HH2 ARG 47 -3.270 6.561 -13.633 198 2HH1 ARG 47 1HH2 ARG 47 -1.630 7.116 -13.682 199 1HH2 ARG 47 2HH1 ARG 47 -1.234 6.557 -17.137 200 2HH2 ARG 47 1HH1 ARG 47 -0.464 7.115 -15.690 201 H THR 48 H THR 48 -7.389 8.569 -14.914 202 HA THR 48 HA THR 48 -7.374 11.314 -15.409 203 HB THR 48 HB THR 48 -5.049 10.735 -16.286 204 HG1 THR 48 1HG THR 48 -5.539 12.017 -18.172 205 1HG2 THR 48 1HG2 THR 48 -5.129 9.710 -18.647 206 2HG2 THR 48 2HG2 THR 48 -5.360 8.552 -17.315 207 3HG2 THR 48 3HG2 THR 48 -6.764 9.130 -18.245 208 H THR 49 H THR 49 -7.894 7.982 -16.588 209 HA THR 49 HA THR 49 -9.527 8.118 -18.625 210 HB THR 49 HB THR 49 -9.057 6.097 -17.197 211 HG1 THR 49 1HG THR 49 -11.877 6.806 -17.610 212 1HG2 THR 49 1HG2 THR 49 -9.825 7.317 -15.002 213 2HG2 THR 49 2HG2 THR 49 -11.478 6.962 -15.560 214 3HG2 THR 49 3HG2 THR 49 -10.344 5.629 -15.232 215 H ILE 50 H ILE 50 -11.244 9.195 -19.371 216 HA ILE 50 HA ILE 50 -12.964 10.577 -19.424 217 HB ILE 50 HB ILE 50 -13.637 8.527 -17.701 218 2HG1 ILE 50 2HG1 ILE 50 -15.514 8.662 -18.894 219 1HG2 ILE 50 1HG2 ILE 50 -14.481 11.152 -16.444 220 2HG2 ILE 50 2HG2 ILE 50 -15.047 9.531 -15.975 221 3HG2 ILE 50 3HG2 ILE 50 -13.338 9.975 -15.755 222 1HD1 ILE 50 1HD1 ILE 50 -16.520 10.147 -17.165 223 2HD1 ILE 50 2HD1 ILE 50 -15.806 11.561 -17.977 224 3HD1 ILE 50 3HD1 ILE 50 -17.054 10.596 -18.803 225 H GLY 51 H GLY 51 -12.607 12.724 -19.361 226 1HA GLY 51 1HA GLY 51 -11.782 14.701 -18.607 227 2HA GLY 51 2HA GLY 51 -12.920 14.407 -17.307 228 H ASN 52 H ASN 52 -12.055 14.609 -15.295 229 HA ASN 52 HA ASN 52 -9.223 13.968 -15.055 230 2HB ASN 52 2HB ASN 52 -9.575 16.290 -14.480 231 1HD2 ASN 52 1HD2 ASN 52 -11.683 16.831 -15.217 232 2HD2 ASN 52 2HD2 ASN 52 -12.993 17.075 -14.111 233 H PHE 53 H PHE 53 -12.548 13.469 -13.891 234 HA PHE 53 HA PHE 53 -11.546 11.350 -12.138 235 2HB PHE 53 2HB PHE 53 -13.947 12.356 -11.013 236 HD1 PHE 53 1HD PHE 53 -13.637 11.985 -8.770 237 HD2 PHE 53 2HD PHE 53 -10.407 13.577 -11.017 238 HE1 PHE 53 1HE PHE 53 -12.204 11.989 -6.709 239 HE2 PHE 53 2HE PHE 53 -8.976 13.580 -8.955 240 HZ PHE 53 HZ PHE 53 -9.891 12.787 -6.825 241 H SER 54 H SER 54 -13.490 9.866 -11.459 242 HA SER 54 HA SER 54 -15.183 8.596 -11.981 243 2HB SER 54 2HB SER 54 -16.317 9.750 -14.371 244 HG SER 54 HG SER 54 -17.198 8.802 -12.124 245 H GLY 55 H GLY 55 -16.209 7.502 -14.291 246 1HA GLY 55 1HA GLY 55 -14.529 7.242 -16.488 247 2HA GLY 55 2HA GLY 55 -14.019 6.036 -15.324 248 HA PRO 56 HA PRO 56 -17.792 4.618 -17.619 249 2HB PRO 56 2HB PRO 56 -17.180 4.627 -19.839 250 2HG PRO 56 2HG PRO 56 -14.945 5.051 -20.221 251 2HD PRO 56 2HD PRO 56 -14.413 6.195 -18.300 252 H TYR 57 H TYR 57 -15.194 2.248 -17.867 253 HA TYR 57 HA TYR 57 -16.815 0.301 -16.578 254 2HB TYR 57 2HB TYR 57 -15.136 -0.329 -18.250 255 HD1 TYR 57 1HD TYR 57 -13.986 1.369 -19.498 256 HD2 TYR 57 2HD TYR 57 -12.676 0.336 -15.557 257 HE1 TYR 57 1HE TYR 57 -11.835 2.677 -19.861 258 HE2 TYR 57 2HE TYR 57 -10.531 1.646 -15.934 259 HH TYR 57 HH TYR 57 -9.879 3.173 -19.070 260 H THR 58 H THR 58 -16.064 -0.953 -14.624 261 HA THR 58 HA THR 58 -15.268 0.959 -12.564 262 HB THR 58 HB THR 58 -17.381 -0.442 -12.384 263 HG1 THR 58 1HG THR 58 -15.159 -1.076 -10.572 264 1HG2 THR 58 1HG2 THR 58 -17.323 -2.767 -12.223 265 2HG2 THR 58 2HG2 THR 58 -15.946 -2.554 -13.331 266 3HG2 THR 58 3HG2 THR 58 -15.659 -2.778 -11.589 267 H TYR 59 H TYR 59 -13.052 1.206 -12.824 268 HA TYR 59 HA TYR 59 -11.482 -1.262 -12.660 269 2HB TYR 59 2HB TYR 59 -10.980 0.335 -14.503 270 HD1 TYR 59 1HD TYR 59 -9.198 2.386 -12.069 271 HD2 TYR 59 2HD TYR 59 -12.632 2.193 -14.613 272 HE1 TYR 59 1HE TYR 59 -9.511 4.900 -11.848 273 HE2 TYR 59 2HE TYR 59 -12.934 4.707 -14.384 274 HH TYR 59 HH TYR 59 -12.316 6.441 -12.642 275 H CYS 60 H CYS 60 -9.395 -1.049 -11.323 276 HA CYS 60 HA CYS 60 -9.917 -0.873 -8.717 277 2HB CYS 60 2HB CYS 60 -7.584 -0.722 -8.298 278 H ASN 61 H ASN 61 -10.196 0.743 -7.158 279 HA ASN 61 HA ASN 61 -10.327 3.422 -8.225 280 2HB ASN 61 2HB ASN 61 -11.154 2.486 -5.435 281 1HD2 ASN 61 1HD2 ASN 61 -11.444 4.227 -4.287 282 2HD2 ASN 61 2HD2 ASN 61 -12.085 5.746 -4.817 283 H THR 62 H THR 62 -9.687 5.177 -6.375 284 HA THR 62 HA THR 62 -6.947 4.545 -5.642 285 HB THR 62 HB THR 62 -7.410 6.654 -6.823 286 HG1 THR 62 1HG THR 62 -5.892 6.528 -4.922 287 1HG2 THR 62 1HG2 THR 62 -8.683 8.424 -5.332 288 2HG2 THR 62 2HG2 THR 62 -9.648 7.303 -6.324 289 3HG2 THR 62 3HG2 THR 62 -9.439 6.997 -4.583 290 H THR 63 H THR 63 -6.197 4.124 -3.644 291 HA THR 63 HA THR 63 -7.533 5.016 -1.310 292 HB THR 63 HB THR 63 -8.869 2.916 -2.386 293 HG1 THR 63 1HG THR 63 -9.357 2.515 -0.050 294 1HG2 THR 63 1HG2 THR 63 -8.183 0.847 -1.194 295 2HG2 THR 63 2HG2 THR 63 -6.880 1.372 -2.288 296 3HG2 THR 63 3HG2 THR 63 -6.756 1.684 -0.539 297 H LEU 64 H LEU 64 -6.532 3.725 0.689 298 HA LEU 64 HA LEU 64 -3.689 3.388 0.027 299 2HB LEU 64 2HB LEU 64 -3.443 4.173 2.495 300 HG LEU 64 HG LEU 64 -4.029 5.982 0.162 301 1HD1 LEU 64 1HD1 LEU 64 -3.285 7.901 1.563 302 2HD1 LEU 64 2HD1 LEU 64 -4.866 7.232 2.034 303 3HD1 LEU 64 3HD1 LEU 64 -3.417 6.854 2.997 304 1HD2 LEU 64 1HD2 LEU 64 -1.753 6.244 -0.013 305 2HD2 LEU 64 2HD2 LEU 64 -1.465 5.892 1.708 306 3HD2 LEU 64 3HD2 LEU 64 -1.855 4.569 0.583 307 H ASP 65 H ASP 65 -2.505 1.816 1.314 308 HA ASP 65 HA ASP 65 -4.204 0.026 2.823 309 2HB ASP 65 2HB ASP 65 -2.180 -1.200 0.958 310 H GLN 66 H GLN 66 -1.942 -2.002 2.846 311 HA GLN 66 HA GLN 66 -0.625 -1.226 5.059 312 2HB GLN 66 2HB GLN 66 1.161 -2.850 3.452 313 2HG GLN 66 2HG GLN 66 0.932 -3.123 5.872 314 1HE2 GLN 66 1HE2 GLN 66 -1.802 -5.068 4.850 315 2HE2 GLN 66 2HE2 GLN 66 -2.989 -4.399 5.920 316 H ILE 67 H ILE 67 -0.003 -0.284 1.708 317 HA ILE 67 HA ILE 67 2.432 1.094 2.601 318 HB ILE 67 HB ILE 67 2.847 -0.553 0.884 319 2HG1 ILE 67 2HG1 ILE 67 3.443 2.244 0.682 320 1HG2 ILE 67 1HG2 ILE 67 0.618 -0.673 -0.104 321 2HG2 ILE 67 2HG2 ILE 67 0.825 0.952 -0.799 322 3HG2 ILE 67 3HG2 ILE 67 1.859 -0.388 -1.349 323 1HD1 ILE 67 1HD1 ILE 67 5.308 0.954 1.122 324 2HD1 ILE 67 2HD1 ILE 67 4.719 -0.415 0.148 325 3HD1 ILE 67 3HD1 ILE 67 5.446 1.000 -0.653 326 H GLY 68 H GLY 68 2.005 3.162 3.153 327 1HA GLY 68 1HA GLY 68 -0.276 4.584 2.604 328 2HA GLY 68 2HA GLY 68 1.286 5.286 2.970 329 H THR 69 H THR 69 2.018 3.498 0.313 330 HA THR 69 HA THR 69 2.178 5.725 -1.394 331 HB THR 69 HB THR 69 2.278 2.765 -2.153 332 HG1 THR 69 1HG THR 69 4.257 4.587 -0.975 333 1HG2 THR 69 1HG2 THR 69 4.062 3.520 -3.672 334 2HG2 THR 69 2HG2 THR 69 2.608 4.499 -3.984 335 3HG2 THR 69 3HG2 THR 69 3.951 5.177 -3.031 336 H CYS 70 H CYS 70 -0.108 6.494 -1.092 337 HA CYS 70 HA CYS 70 -2.352 5.293 -1.828 338 2HB CYS 70 2HB CYS 70 -1.799 7.791 -1.256 339 H TRP 71 H TRP 71 -3.174 4.284 -3.648 340 HA TRP 71 HA TRP 71 -1.535 4.457 -6.068 341 2HB TRP 71 2HB TRP 71 -2.531 2.365 -6.711 342 HD1 TRP 71 HD TRP 71 -2.651 1.733 -2.927 343 HE1 TRP 71 1HE TRP 71 -0.491 0.470 -2.089 344 HE3 TRP 71 3HE TRP 71 -0.092 2.115 -7.304 345 HZ2 TRP 71 2HZ TRP 71 1.990 -0.213 -3.323 346 HZ3 TRP 71 3HZ TRP 71 2.194 1.123 -7.403 347 HH2 TRP 71 HH TRP 71 3.238 -0.009 -5.506 348 HA PRO 72 HA PRO 72 -4.873 6.917 -7.539 349 2HB PRO 72 2HB PRO 72 -3.462 8.560 -8.323 350 2HG PRO 72 2HG PRO 72 -1.249 7.932 -8.484 351 2HD PRO 72 2HD PRO 72 -1.193 6.230 -6.939 352 H GLN 73 H GLN 73 -6.062 4.835 -7.594 353 HA GLN 73 HA GLN 73 -7.195 3.324 -8.675 354 2HB GLN 73 2HB GLN 73 -7.808 4.154 -11.184 355 2HG GLN 73 2HG GLN 73 -8.833 4.698 -8.471 356 1HE2 GLN 73 1HE2 GLN 73 -7.781 6.984 -8.697 357 2HE2 GLN 73 2HE2 GLN 73 -8.847 8.250 -9.208 358 H SER 74 H SER 74 -7.327 1.921 -10.859 359 HA SER 74 HA SER 74 -4.855 1.782 -12.252 360 2HB SER 74 2HB SER 74 -4.132 -0.396 -11.518 361 HG SER 74 HG SER 74 -3.722 1.452 -10.000 362 H ALA 75 H ALA 75 -5.239 -1.068 -13.004 363 HA ALA 75 HA ALA 75 -7.890 -0.924 -14.257 364 1HB ALA 75 1HB ALA 75 -5.512 -0.452 -15.591 365 2HB ALA 75 2HB ALA 75 -5.771 -2.190 -15.870 366 3HB ALA 75 3HB ALA 75 -7.022 -1.016 -16.345 367 HA PRO 76 HA PRO 76 -8.174 -5.021 -12.900 368 2HB PRO 76 2HB PRO 76 -10.455 -5.050 -13.213 369 2HG PRO 76 2HG PRO 76 -11.237 -3.506 -14.738 370 2HD PRO 76 2HD PRO 76 -9.547 -1.950 -14.646 371 H GLY 77 H GLY 77 -7.197 -6.994 -13.012 372 1HA GLY 77 1HA GLY 77 -6.016 -8.665 -13.959 373 2HA GLY 77 2HA GLY 77 -6.602 -8.164 -15.533 374 H ALA 78 H ALA 78 -5.063 -5.704 -13.541 375 HA ALA 78 HA ALA 78 -2.588 -6.045 -15.088 376 1HB ALA 78 1HB ALA 78 -3.772 -3.355 -14.348 377 2HB ALA 78 2HB ALA 78 -2.520 -3.727 -15.558 378 3HB ALA 78 3HB ALA 78 -4.214 -4.186 -15.860 379 H LEU 79 H LEU 79 -0.662 -5.080 -14.012 380 HA LEU 79 HA LEU 79 -1.049 -4.923 -11.106 381 2HB LEU 79 2HB LEU 79 0.178 -6.726 -10.852 382 HG LEU 79 HG LEU 79 1.196 -8.038 -12.618 383 1HD1 LEU 79 1HD1 LEU 79 -1.490 -7.576 -12.319 384 2HD1 LEU 79 2HD1 LEU 79 -1.260 -7.330 -14.066 385 3HD1 LEU 79 3HD1 LEU 79 -0.766 -8.864 -13.310 386 1HD2 LEU 79 1HD2 LEU 79 2.156 -6.981 -14.323 387 2HD2 LEU 79 2HD2 LEU 79 0.528 -6.803 -15.020 388 3HD2 LEU 79 3HD2 LEU 79 1.218 -5.496 -14.030 389 H VAL 80 H VAL 80 -0.718 -2.850 -10.511 390 HA VAL 80 HA VAL 80 0.727 -1.054 -12.145 391 HB VAL 80 HB VAL 80 -0.318 -0.903 -9.314 392 1HG1 VAL 80 1HG1 VAL 80 -0.113 1.693 -10.124 393 2HG1 VAL 80 2HG1 VAL 80 1.089 0.853 -9.116 394 3HG1 VAL 80 3HG1 VAL 80 1.338 0.987 -10.874 395 1HG2 VAL 80 1HG2 VAL 80 -1.824 0.819 -10.771 396 2HG2 VAL 80 2HG2 VAL 80 -1.456 -0.406 -12.009 397 3HG2 VAL 80 3HG2 VAL 80 -2.254 -0.885 -10.491 398 H GLU 81 H GLU 81 2.620 -2.754 -12.222 399 HA GLU 81 HA GLU 81 4.260 -2.784 -9.912 400 2HB GLU 81 2HB GLU 81 4.330 -4.698 -11.378 401 2HG GLU 81 2HG GLU 81 4.857 -2.612 -13.516 402 H ARG 82 H ARG 82 5.933 -1.414 -9.356 403 HA ARG 82 HA ARG 82 6.772 0.450 -11.420 404 2HB ARG 82 2HB ARG 82 6.666 1.427 -8.573 405 2HG ARG 82 2HG ARG 82 7.000 2.530 -11.210 406 2HD ARG 82 2HD ARG 82 5.327 4.332 -11.179 407 HE ARG 82 HE ARG 82 3.532 2.031 -10.882 408 1HH1 ARG 82 2HH2 ARG 82 5.923 3.584 -12.946 409 2HH1 ARG 82 1HH2 ARG 82 5.366 2.810 -14.391 410 1HH2 ARG 82 2HH1 ARG 82 2.796 1.009 -12.789 411 2HH2 ARG 82 1HH1 ARG 82 3.575 1.335 -14.302 412 HA PRO 83 HA PRO 83 10.364 -1.491 -9.475 413 2HB PRO 83 2HB PRO 83 10.674 -3.160 -11.032 414 2HG PRO 83 2HG PRO 83 9.393 -2.949 -12.938 415 2HD PRO 83 2HD PRO 83 7.662 -1.673 -12.128 416 H CYS 84 H CYS 84 11.411 0.024 -8.343 417 HA CYS 84 HA CYS 84 11.905 2.518 -9.051 418 2HB CYS 84 2HB CYS 84 12.579 2.010 -6.923 419 HA PRO 85 HA PRO 85 14.370 1.706 -12.682 420 2HB PRO 85 2HB PRO 85 12.806 2.520 -14.162 421 2HG PRO 85 2HG PRO 85 11.071 3.686 -13.186 422 2HD PRO 85 2HD PRO 85 11.112 2.784 -11.072 423 H GLU 86 H GLU 86 14.854 3.437 -10.073 424 HA GLU 86 HA GLU 86 16.367 5.522 -10.511 425 2HB GLU 86 2HB GLU 86 17.987 4.265 -8.689 426 2HG GLU 86 2HG GLU 86 15.225 4.961 -7.735 427 H TYR 87 H TYR 87 18.695 5.976 -10.844 428 HA TYR 87 HA TYR 87 19.764 5.102 -13.105 429 2HB TYR 87 2HB TYR 87 21.372 5.420 -10.504 430 HD1 TYR 87 1HD TYR 87 23.572 4.930 -11.123 431 HD2 TYR 87 2HD TYR 87 21.148 7.287 -13.744 432 HE1 TYR 87 1HE TYR 87 25.584 5.351 -12.618 433 HE2 TYR 87 2HE TYR 87 23.169 7.700 -15.231 434 HH TYR 87 HH TYR 87 25.471 6.193 -15.596 435 H PHE 88 H PHE 88 20.277 3.499 -9.894 436 HA PHE 88 HA PHE 88 22.089 1.633 -10.497 437 2HB PHE 88 2HB PHE 88 20.515 2.109 -8.405 438 HD1 PHE 88 1HD PHE 88 19.584 -1.087 -10.100 439 HD2 PHE 88 2HD PHE 88 18.252 2.371 -8.032 440 HE1 PHE 88 1HE PHE 88 17.239 -1.981 -10.115 441 HE2 PHE 88 2HE PHE 88 15.907 1.477 -8.046 442 HZ PHE 88 HZ PHE 88 15.428 -0.688 -9.087 443 H ASN 89 H ASN 89 18.640 1.632 -11.509 444 HA ASN 89 HA ASN 89 18.870 -0.984 -12.601 445 2HB ASN 89 2HB ASN 89 16.633 0.679 -13.600 446 1HD2 ASN 89 1HD2 ASN 89 14.928 -0.438 -11.476 447 2HD2 ASN 89 2HD2 ASN 89 14.766 -2.132 -11.798 448 H GLY 90 H GLY 90 18.321 -1.323 -15.035 449 1HA GLY 90 1HA GLY 90 20.021 0.390 -16.622 450 2HA GLY 90 2HA GLY 90 19.209 -1.081 -17.121 451 H ILE 91 H ILE 91 17.950 2.012 -15.682 452 HA ILE 91 HA ILE 91 16.778 2.812 -18.147 453 HB ILE 91 HB ILE 91 15.233 1.033 -17.628 454 2HG1 ILE 91 2HG1 ILE 91 13.332 2.206 -18.114 455 1HG2 ILE 91 1HG2 ILE 91 15.426 0.677 -15.317 456 2HG2 ILE 91 2HG2 ILE 91 15.048 2.373 -14.930 457 3HG2 ILE 91 3HG2 ILE 91 13.773 1.296 -15.547 458 1HD1 ILE 91 1HD1 ILE 91 13.019 4.611 -17.119 459 2HD1 ILE 91 2HD1 ILE 91 12.713 3.210 -16.064 460 3HD1 ILE 91 3HD1 ILE 91 14.246 4.104 -15.933 461 H LYS 92 H LYS 92 15.851 4.961 -17.991 462 HA LYS 92 HA LYS 92 17.047 6.421 -15.816 463 2HB LYS 92 2HB LYS 92 17.189 7.157 -18.191 464 2HG LYS 92 2HG LYS 92 14.298 8.041 -17.867 465 2HD LYS 92 2HD LYS 92 16.370 7.988 -20.068 466 2HE LYS 92 2HE LYS 92 13.383 7.615 -20.361 467 1HZ LYS 92 1HZ LYS 92 13.787 9.668 -21.438 468 2HZ LYS 92 2HZ LYS 92 15.138 9.119 -22.173 469 3HZ LYS 92 3HZ LYS 92 13.677 8.528 -22.602 470 H TYR 93 H TYR 93 16.047 6.815 -13.923 471 HA TYR 93 HA TYR 93 13.239 6.250 -13.687 472 2HB TYR 93 2HB TYR 93 15.092 5.713 -11.998 473 HD1 TYR 93 1HD TYR 93 14.111 9.004 -10.678 474 HD2 TYR 93 2HD TYR 93 17.304 6.690 -12.336 475 HE1 TYR 93 1HE TYR 93 15.787 10.758 -9.916 476 HE2 TYR 93 2HE TYR 93 18.969 8.451 -11.569 477 HH TYR 93 HH TYR 93 18.150 11.477 -10.768 478 H ASN 94 H ASN 94 11.615 7.742 -12.930 479 HA ASN 94 HA ASN 94 12.345 10.504 -13.520 480 2HB ASN 94 2HB ASN 94 10.757 10.043 -15.188 481 1HD2 ASN 94 1HD2 ASN 94 11.275 7.651 -15.080 482 2HD2 ASN 94 2HD2 ASN 94 9.962 6.565 -14.767 483 H THR 95 H THR 95 9.974 8.359 -11.762 484 HA THR 95 HA THR 95 9.576 10.448 -9.765 485 HB THR 95 HB THR 95 7.644 9.209 -10.830 486 HG1 THR 95 1HG THR 95 7.526 10.059 -8.631 487 1HG2 THR 95 1HG2 THR 95 9.179 6.919 -10.497 488 2HG2 THR 95 2HG2 THR 95 8.120 6.852 -9.069 489 3HG2 THR 95 3HG2 THR 95 7.410 6.917 -10.700 490 H THR 96 H THR 96 9.135 9.146 -7.446 491 HA THR 96 HA THR 96 11.569 7.580 -6.961 492 HB THR 96 HB THR 96 11.933 10.042 -6.436 493 HG1 THR 96 1HG THR 96 11.622 8.237 -4.143 494 1HG2 THR 96 1HG2 THR 96 10.368 9.791 -3.924 495 2HG2 THR 96 2HG2 THR 96 10.566 11.201 -4.992 496 3HG2 THR 96 3HG2 THR 96 9.352 9.958 -5.375 497 H ARG 97 H ARG 97 9.182 6.342 -7.401 498 HA ARG 97 HA ARG 97 8.703 5.343 -4.756 499 2HB ARG 97 2HB ARG 97 6.152 5.359 -5.258 500 2HG ARG 97 2HG ARG 97 7.509 8.073 -4.907 501 2HD ARG 97 2HD ARG 97 4.881 7.050 -3.742 502 HE ARG 97 HE ARG 97 5.180 9.050 -2.586 503 1HH1 ARG 97 2HH2 ARG 97 6.471 9.437 -5.837 504 2HH1 ARG 97 1HH2 ARG 97 6.848 11.115 -5.625 505 1HH2 ARG 97 2HH1 ARG 97 5.678 11.264 -2.306 506 2HH2 ARG 97 1HH1 ARG 97 6.395 12.160 -3.603 507 H ASN 98 H ASN 98 9.188 3.189 -5.075 508 HA ASN 98 HA ASN 98 8.280 2.029 -7.588 509 2HB ASN 98 2HB ASN 98 10.670 1.774 -7.422 510 1HD2 ASN 98 1HD2 ASN 98 9.910 -0.424 -4.805 511 2HD2 ASN 98 2HD2 ASN 98 10.943 0.266 -3.597 512 H ALA 99 H ALA 99 7.759 -0.462 -7.302 513 HA ALA 99 HA ALA 99 7.279 -1.775 -5.027 514 1HB ALA 99 1HB ALA 99 5.939 -0.251 -3.918 515 2HB ALA 99 2HB ALA 99 5.245 0.399 -5.422 516 3HB ALA 99 3HB ALA 99 4.694 -1.172 -4.795 517 H TYR 100 H TYR 100 4.916 -3.108 -5.329 518 HA TYR 100 HA TYR 100 4.412 -3.550 -8.136 519 2HB TYR 100 2HB TYR 100 5.174 -5.915 -7.984 520 HD1 TYR 100 1HD TYR 100 7.382 -4.356 -5.441 521 HD2 TYR 100 2HD TYR 100 6.843 -5.288 -9.581 522 HE1 TYR 100 1HE TYR 100 9.806 -3.746 -5.901 523 HE2 TYR 100 2HE TYR 100 9.269 -4.674 -10.028 524 HH TYR 100 HH TYR 100 11.118 -2.948 -7.863 525 H ARG 101 H ARG 101 2.211 -3.379 -8.032 526 HA ARG 101 HA ARG 101 0.946 -5.074 -6.032 527 2HB ARG 101 2HB ARG 101 -0.750 -2.857 -6.962 528 2HG ARG 101 2HG ARG 101 0.328 -3.263 -4.154 529 2HD ARG 101 2HD ARG 101 -2.063 -2.025 -5.467 530 HE ARG 101 HE ARG 101 -3.407 -3.497 -4.185 531 1HH1 ARG 101 2HH2 ARG 101 -0.825 -2.137 -2.218 532 2HH1 ARG 101 1HH2 ARG 101 -1.509 -2.676 -0.720 533 1HH2 ARG 101 2HH1 ARG 101 -4.310 -4.207 -2.209 534 2HH2 ARG 101 1HH1 ARG 101 -3.504 -3.862 -0.715 535 H GLU 102 H GLU 102 -0.925 -6.260 -6.745 536 HA GLU 102 HA GLU 102 -1.255 -6.184 -9.641 537 2HB GLU 102 2HB GLU 102 -0.363 -8.321 -8.808 538 2HG GLU 102 2HG GLU 102 -2.927 -8.415 -7.147 539 H CYS 103 H CYS 103 -3.460 -6.501 -10.505 540 HA CYS 103 HA CYS 103 -5.518 -5.838 -8.533 541 2HB CYS 103 2HB CYS 103 -6.248 -4.739 -11.051 542 H LEU 104 H LEU 104 -7.356 -7.135 -8.703 543 HA LEU 104 HA LEU 104 -7.211 -9.417 -10.344 544 2HB LEU 104 2HB LEU 104 -9.635 -9.661 -9.509 545 HG LEU 104 HG LEU 104 -7.332 -9.467 -7.554 546 1HD1 LEU 104 1HD1 LEU 104 -9.698 -9.164 -6.567 547 2HD1 LEU 104 2HD1 LEU 104 -9.920 -10.886 -6.960 548 3HD1 LEU 104 3HD1 LEU 104 -8.622 -10.386 -5.849 549 1HD2 LEU 104 1HD2 LEU 104 -6.818 -11.586 -8.075 550 2HD2 LEU 104 2HD2 LEU 104 -8.523 -12.082 -8.198 551 3HD2 LEU 104 3HD2 LEU 104 -7.733 -11.266 -9.569 552 H GLU 105 H GLU 105 -9.166 -10.056 -11.803 553 HA GLU 105 HA GLU 105 -9.254 -8.052 -13.820 554 2HB GLU 105 2HB GLU 105 -10.992 -10.227 -14.475 555 2HG GLU 105 2HG GLU 105 -8.056 -10.072 -15.223 556 H ASN 106 H ASN 106 -10.911 -8.335 -10.993 557 HA ASN 106 HA ASN 106 -13.512 -7.804 -12.116 558 2HB ASN 106 2HB ASN 106 -12.929 -7.627 -9.153 559 1HD2 ASN 106 1HD2 ASN 106 -14.648 -10.070 -10.995 560 2HD2 ASN 106 2HD2 ASN 106 -16.261 -9.595 -10.581 561 H GLY 107 H GLY 107 -10.683 -6.117 -11.492 562 1HA GLY 107 1HA GLY 107 -10.321 -3.868 -11.597 563 2HA GLY 107 2HA GLY 107 -12.039 -3.566 -11.428 564 H THR 108 H THR 108 -10.156 -5.679 -9.224 565 HA THR 108 HA THR 108 -10.433 -3.609 -7.147 566 HB THR 108 HB THR 108 -11.011 -5.455 -5.588 567 HG1 THR 108 1HG THR 108 -11.171 -7.600 -6.603 568 1HG2 THR 108 1HG2 THR 108 -13.108 -6.369 -6.741 569 2HG2 THR 108 2HG2 THR 108 -13.000 -4.593 -6.716 570 3HG2 THR 108 3HG2 THR 108 -12.601 -5.488 -8.202 571 H TRP 109 H TRP 109 -8.904 -3.916 -5.289 572 HA TRP 109 HA TRP 109 -6.285 -4.330 -6.399 573 2HB TRP 109 2HB TRP 109 -5.735 -3.759 -3.887 574 HD1 TRP 109 HD TRP 109 -7.561 -0.677 -4.312 575 HE1 TRP 109 1HE TRP 109 -6.323 1.165 -5.741 576 HE3 TRP 109 3HE TRP 109 -4.143 -3.825 -6.379 577 HZ2 TRP 109 2HZ TRP 109 -4.105 1.100 -7.535 578 HZ3 TRP 109 3HZ TRP 109 -2.477 -2.854 -7.959 579 HH2 TRP 109 HH TRP 109 -2.421 -0.482 -8.545 580 H ALA 110 H ALA 110 -4.823 -5.419 -4.309 581 HA ALA 110 HA ALA 110 -6.076 -8.055 -3.944 582 1HB ALA 110 1HB ALA 110 -3.864 -7.439 -5.528 583 2HB ALA 110 2HB ALA 110 -3.144 -8.029 -4.011 584 3HB ALA 110 3HB ALA 110 -4.295 -9.050 -4.907 585 H SER 111 H SER 111 -3.767 -8.988 -2.364 586 HA SER 111 HA SER 111 -4.658 -8.245 0.120 587 2HB SER 111 2HB SER 111 -1.797 -9.096 -0.133 588 HG SER 111 HG SER 111 -2.980 -10.900 1.213 589 H ARG 112 H ARG 112 -1.418 -7.420 -1.340 590 HA ARG 112 HA ARG 112 -1.642 -4.725 -0.828 591 2HB ARG 112 2HB ARG 112 -1.524 -5.288 1.563 592 2HG ARG 112 2HG ARG 112 0.982 -6.277 2.101 593 2HD ARG 112 2HD ARG 112 -0.628 -8.590 1.762 594 HE ARG 112 HE ARG 112 -1.035 -7.355 4.300 595 1HH1 ARG 112 2HH2 ARG 112 1.617 -8.397 2.235 596 2HH1 ARG 112 1HH2 ARG 112 2.700 -8.685 3.555 597 1HH2 ARG 112 2HH1 ARG 112 0.394 -7.735 6.042 598 2HH2 ARG 112 1HH1 ARG 112 2.000 -8.306 5.735 599 H VAL 113 H VAL 113 0.592 -3.604 -1.117 600 HA VAL 113 HA VAL 113 1.843 -4.377 -3.346 601 HB VAL 113 HB VAL 113 2.097 -2.313 -1.782 602 1HG1 VAL 113 1HG1 VAL 113 4.623 -3.780 -0.990 603 2HG1 VAL 113 2HG1 VAL 113 4.016 -2.220 -0.389 604 3HG1 VAL 113 3HG1 VAL 113 3.173 -3.728 0.040 605 1HG2 VAL 113 1HG2 VAL 113 3.005 -2.389 -4.023 606 2HG2 VAL 113 2HG2 VAL 113 4.230 -1.710 -2.924 607 3HG2 VAL 113 3HG2 VAL 113 4.369 -3.396 -3.480 608 H ASN 114 H ASN 114 3.675 -5.623 -3.959 609 HA ASN 114 HA ASN 114 4.013 -7.906 -2.285 610 2HB ASN 114 2HB ASN 114 4.637 -7.118 -5.095 611 1HD2 ASN 114 1HD2 ASN 114 6.808 -6.657 -5.198 612 2HD2 ASN 114 2HD2 ASN 114 8.053 -7.848 -5.021 613 H TYR 115 H TYR 115 6.173 -5.440 -3.897 614 HA TYR 115 HA TYR 115 8.208 -4.699 -3.415 615 2HB TYR 115 2HB TYR 115 8.208 -5.121 -0.535 616 HD1 TYR 115 1HD TYR 115 9.922 -3.396 -0.698 617 HD2 TYR 115 2HD TYR 115 5.905 -2.621 -1.952 618 HE1 TYR 115 1HE TYR 115 10.409 -0.901 -0.742 619 HE2 TYR 115 2HE TYR 115 6.406 -0.130 -1.993 620 HH TYR 115 HH TYR 115 9.337 1.116 -2.124 621 H SER 116 H SER 116 9.511 -6.323 -4.351 622 HA SER 116 HA SER 116 10.078 -8.662 -2.836 623 2HB SER 116 2HB SER 116 11.961 -8.409 -4.949 624 HG SER 116 HG SER 116 10.286 -10.188 -4.176 625 H HIS 117 H HIS 117 12.499 -6.523 -4.466 626 HA HIS 117 HA HIS 117 13.679 -5.764 -1.985 627 2HB HIS 117 2HB HIS 117 14.876 -7.656 -1.752 628 HD1 HIS 117 1HD HIS 117 14.828 -10.083 -2.338 629 HD2 HIS 117 2HD HIS 117 14.540 -7.636 -5.733 630 HE1 HIS 117 1HE HIS 117 14.491 -11.651 -4.322 631 H CYS 118 H CYS 118 12.732 -3.928 -3.495 632 HA CYS 118 HA CYS 118 13.946 -3.210 -5.831 633 2HB CYS 118 2HB CYS 118 13.359 -0.938 -4.073 634 H GLU 119 H GLU 119 14.712 -1.892 -2.516 635 HA GLU 119 HA GLU 119 17.025 -0.631 -3.293 636 2HB GLU 119 2HB GLU 119 17.265 -1.538 -0.557 637 2HG GLU 119 2HG GLU 119 17.756 0.761 -1.806 638 HA PRO 120 HA PRO 120 19.349 -4.538 -1.972 639 2HB PRO 120 2HB PRO 120 18.603 -5.596 -0.068 640 2HG PRO 120 2HG PRO 120 16.395 -5.184 0.461 641 2HD PRO 120 2HD PRO 120 16.091 -3.168 -0.602 642 H ILE 121 H ILE 121 18.925 -3.857 -4.427 643 HA ILE 121 HA ILE 121 18.426 -6.436 -5.745 644 HB ILE 121 HB ILE 121 16.795 -4.418 -6.045 645 2HG1 ILE 121 2HG1 ILE 121 15.998 -5.498 -7.874 646 1HG2 ILE 121 1HG2 ILE 121 17.379 -2.977 -7.944 647 2HG2 ILE 121 2HG2 ILE 121 18.482 -2.741 -6.567 648 3HG2 ILE 121 3HG2 ILE 121 19.010 -3.687 -7.980 649 1HD1 ILE 121 1HD1 ILE 121 17.558 -4.605 -9.518 650 2HD1 ILE 121 2HD1 ILE 121 18.875 -5.622 -8.885 651 3HD1 ILE 121 3HD1 ILE 121 17.494 -6.371 -9.723 652 H LEU 122 H LEU 122 19.846 -7.034 -7.455 653 HA LEU 122 HA LEU 122 22.398 -5.613 -7.298 654 2HB LEU 122 2HB LEU 122 22.452 -7.941 -6.655 655 HG LEU 122 HG LEU 122 20.837 -8.394 -9.025 656 1HD1 LEU 122 1HD1 LEU 122 23.375 -8.937 -9.678 657 2HD1 LEU 122 2HD1 LEU 122 22.965 -10.464 -8.860 658 3HD1 LEU 122 3HD1 LEU 122 21.997 -9.910 -10.247 659 1HD2 LEU 122 1HD2 LEU 122 20.813 -10.743 -7.856 660 2HD2 LEU 122 2HD2 LEU 122 21.603 -9.861 -6.527 661 3HD2 LEU 122 3HD2 LEU 122 20.001 -9.346 -7.109 662 H ASP 123 H ASP 123 22.944 -4.264 -8.918 663 HA ASP 123 HA ASP 123 21.777 -4.865 -11.520 664 2HB ASP 123 2HB ASP 123 20.669 -2.886 -10.541 665 H ASP 124 H ASP 124 23.181 -4.156 -13.367 666 HA ASP 124 HA ASP 124 25.052 -3.612 -14.366 667 2HB ASP 124 2HB ASP 124 26.816 -3.299 -11.996 668 H LYS 125 H LYS 125 25.564 -5.691 -15.169 669 HA LYS 125 HA LYS 125 26.380 -7.799 -13.471 670 2HB LYS 125 2HB LYS 125 27.130 -8.541 -16.013 671 2HG LYS 125 2HG LYS 125 24.660 -8.749 -14.323 672 2HD LYS 125 2HD LYS 125 24.385 -10.266 -16.815 673 2HE LYS 125 2HE LYS 125 22.743 -8.695 -14.905 674 1HZ LYS 125 1HZ LYS 125 21.047 -8.840 -16.920 675 2HZ LYS 125 2HZ LYS 125 21.858 -7.476 -16.533 676 3HZ LYS 125 3HZ LYS 125 22.398 -8.432 -17.742 677 H GLN 126 H GLN 126 28.530 -9.005 -13.879 678 HA GLN 126 HA GLN 126 30.603 -6.966 -13.811 679 2HB GLN 126 2HB GLN 126 31.945 -8.824 -12.660 680 2HG GLN 126 2HG GLN 126 29.540 -7.402 -11.599 681 1HE2 GLN 126 1HE2 GLN 126 28.104 -8.755 -10.706 682 2HE2 GLN 126 2HE2 GLN 126 28.432 -9.861 -9.415 683 H ARG 127 H ARG 127 32.805 -7.671 -14.708 684 HA ARG 127 HA ARG 127 32.454 -9.565 -16.875 685 2HB ARG 127 2HB ARG 127 34.176 -7.201 -17.492 686 2HG ARG 127 2HG ARG 127 31.937 -7.893 -19.287 687 2HD ARG 127 2HD ARG 127 34.782 -8.432 -20.028 688 HE ARG 127 HE ARG 127 33.613 -8.043 -22.007 689 1HH1 ARG 127 2HH2 ARG 127 32.530 -5.723 -19.592 690 2HH1 ARG 127 1HH2 ARG 127 31.504 -4.864 -20.692 691 1HH2 ARG 127 2HH1 ARG 127 32.258 -6.911 -23.458 692 2HH2 ARG 127 1HH1 ARG 127 31.349 -5.544 -22.906 693 H LYS 128 H LYS 128 34.328 -10.826 -17.310 694 HA LYS 128 HA LYS 128 36.683 -10.149 -15.691 695 2HB LYS 128 2HB LYS 128 35.320 -12.008 -14.705 696 2HG LYS 128 2HG LYS 128 36.281 -14.084 -16.468 697 2HD LYS 128 2HD LYS 128 33.590 -13.089 -15.484 698 2HE LYS 128 2HE LYS 128 34.033 -14.616 -17.904 699 1HZ LYS 128 1HZ LYS 128 32.495 -16.432 -17.154 700 2HZ LYS 128 2HZ LYS 128 34.051 -16.570 -16.678 701 3HZ LYS 128 3HZ LYS 128 32.915 -16.063 -15.620 702 H TYR 129 H TYR 129 38.607 -11.698 -16.575 703 HA TYR 129 HA TYR 129 38.781 -10.981 -19.384 704 2HB TYR 129 2HB TYR 129 41.203 -11.649 -18.901 705 HD1 TYR 129 1HD TYR 129 40.075 -9.070 -19.300 706 HD2 TYR 129 2HD TYR 129 41.476 -10.793 -15.643 707 HE1 TYR 129 1HE TYR 129 40.494 -6.745 -18.358 708 HE2 TYR 129 2HE TYR 129 41.889 -8.463 -14.712 709 HH TYR 129 HH TYR 129 41.800 -6.342 -15.074 710 H ASP 130 H ASP 130 40.071 -12.628 -20.802 711 HA ASP 130 HA ASP 130 38.474 -14.897 -20.987 712 2HB ASP 130 2HB ASP 130 39.856 -15.489 -22.865 713 H LEU 131 H LEU 131 39.257 -17.212 -20.831 714 HA LEU 131 HA LEU 131 41.714 -17.685 -19.428 715 2HB LEU 131 2HB LEU 131 40.264 -17.010 -17.590 716 HG LEU 131 HG LEU 131 38.203 -18.414 -18.841 717 1HD1 LEU 131 1HD1 LEU 131 38.184 -19.846 -16.320 718 2HD1 LEU 131 2HD1 LEU 131 37.936 -20.443 -17.979 719 3HD1 LEU 131 3HD1 LEU 131 39.584 -20.305 -17.319 720 1HD2 LEU 131 1HD2 LEU 131 37.315 -16.781 -17.601 721 2HD2 LEU 131 2HD2 LEU 131 37.276 -17.985 -16.290 722 3HD2 LEU 131 3HD2 LEU 131 38.633 -16.839 -16.405 723 H HIS 132 H HIS 132 41.903 -20.167 -18.997 724 HA HIS 132 HA HIS 132 41.744 -22.251 -19.700 725 2HB HIS 132 2HB HIS 132 39.593 -22.148 -21.632 726 HD1 HIS 132 1HD HIS 132 40.092 -24.729 -21.431 727 HD2 HIS 132 2HD HIS 132 38.743 -22.914 -17.898 728 HE1 HIS 132 1HE HIS 132 39.435 -26.627 -19.858 729 HE2 HIS 132 2HE HIS 132 38.666 -25.453 -17.685 730 H TYR 133 H TYR 133 42.512 -23.529 -21.519 731 HA TYR 133 HA TYR 133 43.027 -22.015 -23.961 732 2HB TYR 133 2HB TYR 133 45.175 -23.673 -22.552 733 HD1 TYR 133 1HD TYR 133 45.909 -20.213 -23.107 734 HD2 TYR 133 2HD TYR 133 45.750 -24.022 -25.049 735 HE1 TYR 133 1HE TYR 133 47.437 -19.348 -24.945 736 HE2 TYR 133 2HE TYR 133 47.278 -23.144 -26.880 737 HH TYR 133 HH TYR 133 48.163 -21.334 -27.769
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