NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4937 | 1g25 | 4890 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -13.078 -3.106 -10.283 2 2H MET 1 2HT MET 1 -13.665 -3.617 -8.774 3 3H MET 1 3HT MET 1 -12.178 -4.201 -9.352 4 HA MET 1 HA MET 1 -11.085 -2.180 -8.992 5 1HB MET 1 1HB MET 1 -12.602 -0.158 -8.464 6 2HB MET 1 2HB MET 1 -12.622 -0.757 -10.122 7 1HG MET 1 1HG MET 1 -14.688 -1.922 -9.765 8 2HG MET 1 2HG MET 1 -14.598 -1.680 -8.020 9 1HE MET 1 1HE MET 1 -14.258 0.301 -11.328 10 2HE MET 1 2HE MET 1 -13.266 1.173 -10.162 11 3HE MET 1 3HE MET 1 -14.705 1.939 -10.832 12 H ASP 2 H ASP 2 -12.712 -4.295 -7.272 13 HA ASP 2 HA ASP 2 -12.219 -2.900 -4.660 14 1HB ASP 2 1HB ASP 2 -14.357 -4.972 -5.212 15 2HB ASP 2 2HB ASP 2 -14.237 -3.886 -3.828 16 H ASP 3 H ASP 3 -12.954 -6.208 -5.841 17 HA ASP 3 HA ASP 3 -11.853 -8.255 -5.421 18 1HB ASP 3 1HB ASP 3 -10.022 -6.492 -6.262 19 2HB ASP 3 2HB ASP 3 -9.402 -6.737 -4.629 20 H GLN 4 H GLN 4 -9.627 -8.469 -3.450 21 HA GLN 4 HA GLN 4 -11.185 -8.991 -1.080 22 1HB GLN 4 1HB GLN 4 -9.197 -10.261 -1.682 23 2HB GLN 4 2HB GLN 4 -8.209 -8.800 -1.644 24 1HG GLN 4 1HG GLN 4 -8.767 -8.550 0.784 25 2HG GLN 4 2HG GLN 4 -9.622 -10.091 0.710 26 1HE2 GLN 4 1HE2 GLN 4 -6.465 -8.597 0.895 27 2HE2 GLN 4 2HE2 GLN 4 -5.566 -10.037 0.931 28 H GLY 5 H GLY 5 -9.942 -6.085 -2.320 29 1HA GLY 5 1HA GLY 5 -10.106 -3.926 -1.329 30 2HA GLY 5 2HA GLY 5 -10.537 -4.699 0.197 31 H CYS 6 H CYS 6 -8.354 -2.654 -0.744 32 HA CYS 6 HA CYS 6 -5.764 -3.342 -0.673 33 1HB CYS 6 1HB CYS 6 -6.064 -1.094 -0.375 34 2HB CYS 6 2HB CYS 6 -7.470 -1.317 0.647 35 HA PRO 7 HA PRO 7 -4.907 -5.650 3.027 36 1HB PRO 7 1HB PRO 7 -2.193 -5.308 3.057 37 2HB PRO 7 2HB PRO 7 -3.024 -6.354 1.891 38 1HG PRO 7 1HG PRO 7 -1.749 -3.738 1.503 39 2HG PRO 7 2HG PRO 7 -2.126 -4.995 0.320 40 1HD PRO 7 1HD PRO 7 -3.565 -2.576 0.858 41 2HD PRO 7 2HD PRO 7 -3.950 -3.839 -0.329 42 H ARG 8 H ARG 8 -2.636 -2.850 2.999 43 HA ARG 8 HA ARG 8 -2.591 -2.471 5.824 44 1HB ARG 8 1HB ARG 8 -1.190 -1.525 3.731 45 2HB ARG 8 2HB ARG 8 -2.261 -0.142 3.966 46 1HG ARG 8 1HG ARG 8 -1.380 0.374 6.028 47 2HG ARG 8 2HG ARG 8 -0.952 -1.302 6.385 48 1HD ARG 8 1HD ARG 8 1.048 -1.175 5.179 49 2HD ARG 8 2HD ARG 8 0.449 0.128 4.134 50 HE ARG 8 HE ARG 8 1.234 1.635 5.781 51 1HH1 ARG 8 1HH2 ARG 8 1.300 -1.550 6.995 52 2HH1 ARG 8 2HH2 ARG 8 1.456 -1.075 8.653 53 1HH2 ARG 8 1HH1 ARG 8 1.105 2.310 7.996 54 2HH2 ARG 8 2HH1 ARG 8 1.347 1.109 9.221 55 H CYS 9 H CYS 9 -4.058 -0.146 3.566 56 HA CYS 9 HA CYS 9 -6.025 0.631 5.663 57 1HB CYS 9 1HB CYS 9 -6.511 2.162 3.367 58 2HB CYS 9 2HB CYS 9 -5.584 2.664 4.767 59 H LYS 10 H LYS 10 -6.520 -1.937 4.654 60 HA LYS 10 HA LYS 10 -7.938 -2.455 2.413 61 1HB LYS 10 1HB LYS 10 -8.775 -4.270 3.568 62 2HB LYS 10 2HB LYS 10 -7.552 -3.738 4.714 63 1HG LYS 10 1HG LYS 10 -9.380 -2.357 5.832 64 2HG LYS 10 2HG LYS 10 -10.531 -3.235 4.820 65 1HD LYS 10 1HD LYS 10 -10.245 -4.284 7.066 66 2HD LYS 10 2HD LYS 10 -9.768 -5.364 5.757 67 1HE LYS 10 1HE LYS 10 -7.568 -3.658 6.726 68 2HE LYS 10 2HE LYS 10 -8.196 -4.783 7.947 69 1HZ LYS 10 1HZ LYS 10 -7.755 -6.597 6.615 70 2HZ LYS 10 2HZ LYS 10 -6.450 -5.590 6.202 71 3HZ LYS 10 3HZ LYS 10 -7.800 -5.701 5.175 72 H THR 11 H THR 11 -9.024 -0.654 1.482 73 HA THR 11 HA THR 11 -11.787 -0.328 2.288 74 HB THR 11 HB THR 11 -10.222 0.838 4.034 75 HG1 THR 11 1HG THR 11 -12.460 1.118 3.978 76 1HG2 THR 11 1HG2 THR 11 -10.256 2.888 1.797 77 2HG2 THR 11 2HG2 THR 11 -8.831 2.037 2.394 78 3HG2 THR 11 3HG2 THR 11 -9.678 3.177 3.438 79 H THR 12 H THR 12 -9.066 1.356 0.716 80 HA THR 12 HA THR 12 -10.395 3.106 -0.920 81 HB THR 12 HB THR 12 -8.089 1.538 -1.996 82 HG1 THR 12 1HG THR 12 -7.199 1.743 -0.114 83 1HG2 THR 12 1HG2 THR 12 -9.327 4.178 -2.181 84 2HG2 THR 12 2HG2 THR 12 -8.237 3.372 -3.308 85 3HG2 THR 12 3HG2 THR 12 -7.582 4.245 -1.924 86 H LYS 13 H LYS 13 -9.075 0.991 -3.241 87 HA LYS 13 HA LYS 13 -10.889 0.993 -5.143 88 1HB LYS 13 1HB LYS 13 -9.920 -0.929 -5.957 89 2HB LYS 13 2HB LYS 13 -8.766 -0.450 -4.735 90 1HG LYS 13 1HG LYS 13 -10.872 -2.186 -3.675 91 2HG LYS 13 2HG LYS 13 -9.913 -2.939 -4.932 92 1HD LYS 13 1HD LYS 13 -7.972 -1.694 -3.509 93 2HD LYS 13 2HD LYS 13 -9.151 -2.036 -2.224 94 1HE LYS 13 1HE LYS 13 -7.455 -3.912 -2.631 95 2HE LYS 13 2HE LYS 13 -9.143 -4.422 -2.816 96 1HZ LYS 13 1HZ LYS 13 -8.966 -4.515 -5.062 97 2HZ LYS 13 2HZ LYS 13 -7.338 -4.828 -4.698 98 3HZ LYS 13 3HZ LYS 13 -7.825 -3.263 -5.148 99 H TYR 14 H TYR 14 -11.535 -0.980 -2.208 100 HA TYR 14 HA TYR 14 -13.988 -2.059 -3.309 101 1HB TYR 14 1HB TYR 14 -12.501 -2.849 -1.325 102 2HB TYR 14 2HB TYR 14 -13.415 -1.687 -0.384 103 HD1 TYR 14 1HD TYR 14 -16.102 -1.803 -1.405 104 HD2 TYR 14 2HD TYR 14 -13.282 -4.997 -0.860 105 HE1 TYR 14 1HE TYR 14 -17.970 -3.424 -1.234 106 HE2 TYR 14 2HE TYR 14 -15.151 -6.618 -0.689 107 HH TYR 14 HH TYR 14 -18.161 -6.064 -1.709 108 H ARG 15 H ARG 15 -13.217 0.681 -1.178 109 HA ARG 15 HA ARG 15 -16.002 1.700 -1.308 110 1HB ARG 15 1HB ARG 15 -13.406 2.508 0.021 111 2HB ARG 15 2HB ARG 15 -14.809 3.560 0.053 112 1HG ARG 15 1HG ARG 15 -15.610 2.367 1.797 113 2HG ARG 15 2HG ARG 15 -15.712 0.952 0.745 114 1HD ARG 15 1HD ARG 15 -13.018 1.671 1.824 115 2HD ARG 15 2HD ARG 15 -14.180 0.933 2.942 116 HE ARG 15 HE ARG 15 -13.047 -0.332 0.493 117 1HH1 ARG 15 1HH1 ARG 15 -12.954 -1.823 3.006 118 2HH1 ARG 15 2HH1 ARG 15 -14.345 -2.853 2.930 119 1HH2 ARG 15 1HH2 ARG 15 -15.896 -1.019 0.430 120 2HH2 ARG 15 2HH2 ARG 15 -16.011 -2.397 1.472 121 H ASN 16 H ASN 16 -12.718 2.817 -2.087 122 HA ASN 16 HA ASN 16 -13.570 5.046 -3.756 123 1HB ASN 16 1HB ASN 16 -11.140 3.762 -2.689 124 2HB ASN 16 2HB ASN 16 -10.917 4.467 -4.289 125 1HD2 ASN 16 1HD2 ASN 16 -9.432 5.899 -2.860 126 2HD2 ASN 16 2HD2 ASN 16 -10.146 7.294 -2.198 127 HA PRO 17 HA PRO 17 -13.668 2.316 -7.331 128 1HB PRO 17 1HB PRO 17 -15.440 3.853 -8.756 129 2HB PRO 17 2HB PRO 17 -15.943 2.779 -7.436 130 1HG PRO 17 1HG PRO 17 -15.879 5.693 -7.537 131 2HG PRO 17 2HG PRO 17 -16.661 4.633 -6.359 132 1HD PRO 17 1HD PRO 17 -14.097 6.028 -6.173 133 2HD PRO 17 2HD PRO 17 -15.034 5.220 -4.894 134 H SER 18 H SER 18 -11.488 4.284 -7.022 135 HA SER 18 HA SER 18 -10.911 4.723 -9.864 136 1HB SER 18 1HB SER 18 -11.113 7.141 -8.060 137 2HB SER 18 2HB SER 18 -10.995 7.105 -9.818 138 HG SER 18 HG SER 18 -13.135 7.470 -9.148 139 H LEU 19 H LEU 19 -9.373 3.195 -8.251 140 HA LEU 19 HA LEU 19 -6.971 4.928 -7.799 141 1HB LEU 19 1HB LEU 19 -6.591 3.582 -5.688 142 2HB LEU 19 2HB LEU 19 -7.975 4.650 -5.646 143 HG LEU 19 HG LEU 19 -8.269 2.227 -4.747 144 1HD1 LEU 19 1HD1 LEU 19 -10.407 2.802 -4.860 145 2HD1 LEU 19 2HD1 LEU 19 -10.452 2.513 -6.599 146 3HD1 LEU 19 3HD1 LEU 19 -9.968 4.092 -5.977 147 1HD2 LEU 19 1HD2 LEU 19 -8.506 1.716 -7.731 148 2HD2 LEU 19 2HD2 LEU 19 -9.006 0.614 -6.471 149 3HD2 LEU 19 3HD2 LEU 19 -7.306 1.010 -6.651 150 H LYS 20 H LYS 20 -5.643 2.483 -6.612 151 HA LYS 20 HA LYS 20 -5.641 0.305 -8.417 152 1HB LYS 20 1HB LYS 20 -3.388 1.042 -9.547 153 2HB LYS 20 2HB LYS 20 -4.895 1.718 -10.160 154 1HG LYS 20 1HG LYS 20 -4.569 3.743 -8.834 155 2HG LYS 20 2HG LYS 20 -3.125 3.057 -8.091 156 1HD LYS 20 1HD LYS 20 -2.082 4.225 -9.769 157 2HD LYS 20 2HD LYS 20 -2.466 2.775 -10.699 158 1HE LYS 20 1HE LYS 20 -4.185 3.824 -11.860 159 2HE LYS 20 2HE LYS 20 -4.545 4.935 -10.524 160 1HZ LYS 20 1HZ LYS 20 -2.096 4.961 -12.223 161 2HZ LYS 20 2HZ LYS 20 -2.406 6.015 -10.927 162 3HZ LYS 20 3HZ LYS 20 -3.373 6.074 -12.322 163 H LEU 21 H LEU 21 -3.821 -1.171 -7.972 164 HA LEU 21 HA LEU 21 -2.592 -0.603 -5.295 165 1HB LEU 21 1HB LEU 21 -3.500 -3.073 -6.781 166 2HB LEU 21 2HB LEU 21 -2.457 -3.192 -5.369 167 HG LEU 21 HG LEU 21 -4.117 -2.483 -3.911 168 1HD1 LEU 21 1HD1 LEU 21 -4.615 -0.323 -5.000 169 2HD1 LEU 21 2HD1 LEU 21 -6.115 -1.158 -4.609 170 3HD1 LEU 21 3HD1 LEU 21 -5.512 -1.156 -6.266 171 1HD2 LEU 21 1HD2 LEU 21 -6.133 -3.395 -5.874 172 2HD2 LEU 21 2HD2 LEU 21 -5.784 -3.986 -4.249 173 3HD2 LEU 21 3HD2 LEU 21 -4.772 -4.485 -5.605 174 H MET 22 H MET 22 -0.315 -0.652 -5.129 175 HA MET 22 HA MET 22 1.145 -1.298 -7.641 176 1HB MET 22 1HB MET 22 2.694 -0.051 -5.534 177 2HB MET 22 2HB MET 22 2.396 0.527 -7.160 178 1HG MET 22 1HG MET 22 0.134 1.330 -6.374 179 2HG MET 22 2HG MET 22 0.627 0.918 -4.732 180 1HE MET 22 1HE MET 22 0.493 4.573 -6.450 181 2HE MET 22 2HE MET 22 0.298 4.412 -4.706 182 3HE MET 22 3HE MET 22 -0.494 3.265 -5.783 183 H VAL 23 H VAL 23 2.590 -2.956 -7.689 184 HA VAL 23 HA VAL 23 2.800 -4.688 -5.293 185 HB VAL 23 HB VAL 23 3.451 -4.872 -8.234 186 1HG1 VAL 23 1HG1 VAL 23 4.371 -7.108 -7.860 187 2HG1 VAL 23 2HG1 VAL 23 4.137 -6.937 -6.121 188 3HG1 VAL 23 3HG1 VAL 23 5.314 -5.924 -6.956 189 1HG2 VAL 23 1HG2 VAL 23 1.637 -6.352 -6.312 190 2HG2 VAL 23 2HG2 VAL 23 1.933 -6.892 -7.964 191 3HG2 VAL 23 3HG2 VAL 23 1.159 -5.335 -7.671 192 H ASN 24 H ASN 24 5.056 -5.568 -4.790 193 HA ASN 24 HA ASN 24 7.147 -3.473 -5.268 194 1HB ASN 24 1HB ASN 24 7.813 -4.376 -2.824 195 2HB ASN 24 2HB ASN 24 6.681 -3.048 -3.060 196 1HD2 ASN 24 1HD2 ASN 24 4.779 -3.303 -1.902 197 2HD2 ASN 24 2HD2 ASN 24 4.086 -4.791 -1.467 198 H VAL 25 H VAL 25 9.365 -4.409 -4.525 199 HA VAL 25 HA VAL 25 10.447 -6.203 -6.214 200 HB VAL 25 HB VAL 25 11.857 -5.140 -4.678 201 1HG1 VAL 25 1HG1 VAL 25 11.273 -6.159 -2.118 202 2HG1 VAL 25 2HG1 VAL 25 9.715 -5.729 -2.824 203 3HG1 VAL 25 3HG1 VAL 25 10.991 -4.518 -2.699 204 1HG2 VAL 25 1HG2 VAL 25 11.944 -7.923 -4.852 205 2HG2 VAL 25 2HG2 VAL 25 12.129 -7.589 -3.129 206 3HG2 VAL 25 3HG2 VAL 25 13.243 -6.869 -4.291 207 H CYS 26 H CYS 26 9.702 -7.592 -2.963 208 HA CYS 26 HA CYS 26 9.773 -10.272 -3.668 209 1HB CYS 26 1HB CYS 26 8.065 -10.548 -1.806 210 2HB CYS 26 2HB CYS 26 9.465 -9.564 -1.385 211 H GLY 27 H GLY 27 7.341 -7.930 -4.554 212 1HA GLY 27 1HA GLY 27 5.729 -8.166 -6.281 213 2HA GLY 27 2HA GLY 27 6.130 -9.882 -6.381 214 H HIS 28 H HIS 28 4.428 -7.490 -4.354 215 HA HIS 28 HA HIS 28 2.578 -9.703 -3.567 216 1HB HIS 28 1HB HIS 28 4.281 -7.923 -1.969 217 2HB HIS 28 2HB HIS 28 2.608 -7.979 -1.413 218 HD2 HIS 28 2HD HIS 28 2.013 -11.158 -2.097 219 HE1 HIS 28 1HE HIS 28 5.343 -11.966 0.356 220 HE2 HIS 28 2HE HIS 28 3.281 -12.970 -0.721 221 H THR 29 H THR 29 2.105 -6.489 -2.274 222 HA THR 29 HA THR 29 0.535 -5.382 -4.403 223 HB THR 29 HB THR 29 -0.701 -7.384 -2.562 224 HG1 THR 29 1HG THR 29 -1.681 -7.965 -4.420 225 1HG2 THR 29 1HG2 THR 29 -2.951 -6.154 -3.350 226 2HG2 THR 29 2HG2 THR 29 -1.906 -4.738 -3.224 227 3HG2 THR 29 3HG2 THR 29 -2.166 -5.771 -1.818 228 H LEU 30 H LEU 30 0.149 -3.278 -3.898 229 HA LEU 30 HA LEU 30 -0.140 -2.447 -1.041 230 1HB LEU 30 1HB LEU 30 2.246 -2.329 -2.022 231 2HB LEU 30 2HB LEU 30 1.647 -1.013 -3.013 232 HG LEU 30 HG LEU 30 0.875 0.070 -0.873 233 1HD1 LEU 30 1HD1 LEU 30 1.874 -0.709 1.217 234 2HD1 LEU 30 2HD1 LEU 30 2.615 -2.051 0.353 235 3HD1 LEU 30 3HD1 LEU 30 0.865 -1.968 0.503 236 1HD2 LEU 30 1HD2 LEU 30 2.900 1.154 -0.619 237 2HD2 LEU 30 2HD2 LEU 30 3.196 0.320 -2.146 238 3HD2 LEU 30 3HD2 LEU 30 3.814 -0.355 -0.638 239 H CYS 31 H CYS 31 -2.349 -1.915 -1.476 240 HA CYS 31 HA CYS 31 -3.468 -0.752 -3.704 241 1HB CYS 31 1HB CYS 31 -5.273 -0.488 -2.347 242 2HB CYS 31 2HB CYS 31 -4.278 -1.325 -1.172 243 H GLU 32 H GLU 32 -4.284 1.542 -3.887 244 HA GLU 32 HA GLU 32 -2.021 3.314 -4.219 245 1HB GLU 32 1HB GLU 32 -3.675 4.883 -4.973 246 2HB GLU 32 2HB GLU 32 -4.278 3.294 -5.432 247 1HG GLU 32 1HG GLU 32 -5.087 4.747 -2.897 248 2HG GLU 32 2HG GLU 32 -6.023 4.766 -4.388 249 H SER 33 H SER 33 -4.547 3.112 -1.732 250 HA SER 33 HA SER 33 -3.636 5.357 -0.191 251 1HB SER 33 1HB SER 33 -5.562 3.069 0.094 252 2HB SER 33 2HB SER 33 -5.099 3.952 1.548 253 HG SER 33 HG SER 33 -6.438 5.416 0.939 254 H CYS 34 H CYS 34 -2.236 2.224 -0.598 255 HA CYS 34 HA CYS 34 -1.239 2.026 2.174 256 1HB CYS 34 1HB CYS 34 -0.916 0.500 -0.403 257 2HB CYS 34 2HB CYS 34 0.267 0.288 0.889 258 H VAL 35 H VAL 35 0.335 2.389 -1.023 259 HA VAL 35 HA VAL 35 2.916 3.018 -0.271 260 HB VAL 35 HB VAL 35 1.056 3.791 -2.474 261 1HG1 VAL 35 1HG1 VAL 35 3.441 5.393 -1.693 262 2HG1 VAL 35 2HG1 VAL 35 1.990 5.890 -2.562 263 3HG1 VAL 35 3HG1 VAL 35 3.265 5.011 -3.405 264 1HG2 VAL 35 1HG2 VAL 35 2.148 1.891 -3.092 265 2HG2 VAL 35 2HG2 VAL 35 3.527 2.229 -2.054 266 3HG2 VAL 35 3HG2 VAL 35 3.390 3.031 -3.612 267 H ASP 36 H ASP 36 0.031 4.958 0.194 268 HA ASP 36 HA ASP 36 1.475 7.423 0.809 269 1HB ASP 36 1HB ASP 36 -0.617 8.282 0.606 270 2HB ASP 36 2HB ASP 36 -1.090 6.673 0.076 271 H LEU 37 H LEU 37 -0.307 5.012 2.828 272 HA LEU 37 HA LEU 37 0.693 6.307 5.286 273 1HB LEU 37 1HB LEU 37 -1.204 4.127 4.503 274 2HB LEU 37 2HB LEU 37 -0.595 4.147 6.159 275 HG LEU 37 HG LEU 37 -1.641 6.687 4.948 276 1HD1 LEU 37 1HD1 LEU 37 -3.191 4.249 5.550 277 2HD1 LEU 37 2HD1 LEU 37 -3.631 5.648 4.570 278 3HD1 LEU 37 3HD1 LEU 37 -3.801 5.711 6.325 279 1HD2 LEU 37 1HD2 LEU 37 -2.469 6.555 7.539 280 2HD2 LEU 37 2HD2 LEU 37 -0.910 7.220 7.049 281 3HD2 LEU 37 3HD2 LEU 37 -1.020 5.553 7.616 282 H LEU 38 H LEU 38 1.535 3.574 3.280 283 HA LEU 38 HA LEU 38 2.972 2.001 5.203 284 1HB LEU 38 1HB LEU 38 2.128 1.523 2.794 285 2HB LEU 38 2HB LEU 38 3.620 2.291 2.265 286 HG LEU 38 HG LEU 38 4.220 0.027 2.345 287 1HD1 LEU 38 1HD1 LEU 38 5.756 1.436 3.724 288 2HD1 LEU 38 2HD1 LEU 38 5.713 -0.246 4.247 289 3HD1 LEU 38 3HD1 LEU 38 4.835 0.983 5.156 290 1HD2 LEU 38 1HD2 LEU 38 2.056 -0.644 3.456 291 2HD2 LEU 38 2HD2 LEU 38 2.798 -0.249 5.006 292 3HD2 LEU 38 3HD2 LEU 38 3.465 -1.546 4.013 293 H PHE 39 H PHE 39 4.039 4.554 2.948 294 HA PHE 39 HA PHE 39 6.813 4.398 3.923 295 1HB PHE 39 1HB PHE 39 5.558 6.384 2.030 296 2HB PHE 39 2HB PHE 39 7.239 5.840 2.069 297 HD1 PHE 39 1HD PHE 39 6.333 2.873 2.694 298 HD2 PHE 39 2HD PHE 39 5.316 5.720 -0.355 299 HE1 PHE 39 1HE PHE 39 5.731 1.019 1.173 300 HE2 PHE 39 2HE PHE 39 4.709 3.859 -1.880 301 HZ PHE 39 HZ PHE 39 4.921 1.510 -1.107 302 H VAL 40 H VAL 40 4.154 6.796 4.011 303 HA VAL 40 HA VAL 40 5.597 8.901 5.256 304 HB VAL 40 HB VAL 40 3.346 9.647 5.961 305 1HG1 VAL 40 1HG1 VAL 40 2.215 9.321 3.667 306 2HG1 VAL 40 2HG1 VAL 40 3.666 8.420 3.229 307 3HG1 VAL 40 3HG1 VAL 40 3.789 10.118 3.691 308 1HG2 VAL 40 1HG2 VAL 40 2.714 6.770 5.412 309 2HG2 VAL 40 2HG2 VAL 40 1.462 8.001 5.234 310 3HG2 VAL 40 3HG2 VAL 40 2.253 7.769 6.791 311 H ARG 41 H ARG 41 4.696 5.820 6.496 312 HA ARG 41 HA ARG 41 5.196 6.755 9.298 313 1HB ARG 41 1HB ARG 41 3.889 4.164 8.475 314 2HB ARG 41 2HB ARG 41 3.704 5.055 9.986 315 1HG ARG 41 1HG ARG 41 2.773 6.064 7.282 316 2HG ARG 41 2HG ARG 41 1.724 5.270 8.458 317 1HD ARG 41 1HD ARG 41 3.147 7.934 8.725 318 2HD ARG 41 2HD ARG 41 1.414 7.593 8.885 319 HE ARG 41 HE ARG 41 2.331 6.048 10.864 320 1HH1 ARG 41 1HH2 ARG 41 4.517 8.381 9.925 321 2HH1 ARG 41 2HH2 ARG 41 4.594 9.192 11.454 322 1HH2 ARG 41 1HH1 ARG 41 1.941 7.429 12.824 323 2HH2 ARG 41 2HH1 ARG 41 3.134 8.656 13.093 324 H GLY 42 H GLY 42 6.796 5.253 6.778 325 1HA GLY 42 1HA GLY 42 8.941 4.334 8.406 326 2HA GLY 42 2HA GLY 42 7.927 2.946 8.022 327 H ALA 43 H ALA 43 7.268 3.136 5.449 328 HA ALA 43 HA ALA 43 8.100 2.980 3.228 329 1HB ALA 43 1HB ALA 43 9.434 5.210 4.531 330 2HB ALA 43 2HB ALA 43 8.932 5.048 2.848 331 3HB ALA 43 3HB ALA 43 10.505 4.435 3.361 332 H GLY 44 H GLY 44 8.808 0.869 2.974 333 1HA GLY 44 1HA GLY 44 10.942 -0.348 2.431 334 2HA GLY 44 2HA GLY 44 11.559 0.246 3.973 335 H ASN 45 H ASN 45 8.257 -0.903 3.515 336 HA ASN 45 HA ASN 45 8.908 -3.501 4.804 337 1HB ASN 45 1HB ASN 45 6.934 -1.514 5.968 338 2HB ASN 45 2HB ASN 45 7.451 -3.041 6.685 339 1HD2 ASN 45 1HD2 ASN 45 9.443 -3.059 7.850 340 2HD2 ASN 45 2HD2 ASN 45 10.409 -1.679 8.062 341 H CYS 46 H CYS 46 7.977 -4.731 3.162 342 HA CYS 46 HA CYS 46 5.861 -4.240 1.459 343 1HB CYS 46 1HB CYS 46 7.304 -6.285 1.628 344 2HB CYS 46 2HB CYS 46 6.345 -6.792 3.015 345 HA PRO 47 HA PRO 47 2.304 -3.629 3.982 346 1HB PRO 47 1HB PRO 47 0.400 -4.350 2.130 347 2HB PRO 47 2HB PRO 47 1.271 -2.825 2.110 348 1HG PRO 47 1HG PRO 47 1.828 -5.332 0.587 349 2HG PRO 47 2HG PRO 47 1.761 -3.665 -0.008 350 1HD PRO 47 1HD PRO 47 4.089 -4.870 0.528 351 2HD PRO 47 2HD PRO 47 3.859 -3.153 0.877 352 H GLU 48 H GLU 48 3.414 -6.644 2.907 353 HA GLU 48 HA GLU 48 1.531 -7.979 4.790 354 1HB GLU 48 1HB GLU 48 1.303 -9.798 3.034 355 2HB GLU 48 2HB GLU 48 0.514 -8.275 2.665 356 1HG GLU 48 1HG GLU 48 2.748 -7.686 1.460 357 2HG GLU 48 2HG GLU 48 3.032 -9.428 1.494 358 H CYS 49 H CYS 49 4.349 -8.855 2.643 359 HA CYS 49 HA CYS 49 5.236 -10.706 4.781 360 1HB CYS 49 1HB CYS 49 6.488 -11.734 3.115 361 2HB CYS 49 2HB CYS 49 5.182 -11.037 2.169 362 H GLY 50 H GLY 50 5.391 -7.606 4.760 363 1HA GLY 50 1HA GLY 50 6.961 -5.930 5.314 364 2HA GLY 50 2HA GLY 50 7.361 -7.110 6.555 365 H THR 51 H THR 51 8.008 -7.867 3.169 366 HA THR 51 HA THR 51 10.714 -8.525 3.579 367 HB THR 51 HB THR 51 8.947 -7.779 1.291 368 HG1 THR 51 1HG THR 51 10.621 -9.898 2.077 369 1HG2 THR 51 1HG2 THR 51 11.958 -7.970 0.978 370 2HG2 THR 51 2HG2 THR 51 11.015 -6.492 0.799 371 3HG2 THR 51 3HG2 THR 51 10.785 -7.827 -0.330 372 HA PRO 52 HA PRO 52 12.560 -4.587 4.263 373 1HB PRO 52 1HB PRO 52 15.146 -5.223 3.599 374 2HB PRO 52 2HB PRO 52 14.380 -5.721 5.121 375 1HG PRO 52 1HG PRO 52 14.810 -7.266 2.602 376 2HG PRO 52 2HG PRO 52 14.980 -7.788 4.286 377 1HD PRO 52 1HD PRO 52 12.809 -8.369 2.737 378 2HD PRO 52 2HD PRO 52 12.728 -8.200 4.505 379 H LEU 53 H LEU 53 11.309 -3.794 2.281 380 HA LEU 53 HA LEU 53 12.143 -3.890 -0.378 381 1HB LEU 53 1HB LEU 53 10.809 -1.893 1.404 382 2HB LEU 53 2HB LEU 53 11.261 -1.371 -0.219 383 HG LEU 53 HG LEU 53 10.073 -3.425 -1.102 384 1HD1 LEU 53 1HD1 LEU 53 8.309 -4.273 0.617 385 2HD1 LEU 53 2HD1 LEU 53 9.410 -3.622 1.831 386 3HD1 LEU 53 3HD1 LEU 53 9.956 -4.891 0.736 387 1HD2 LEU 53 1HD2 LEU 53 8.613 -1.719 -1.462 388 2HD2 LEU 53 2HD2 LEU 53 8.889 -1.034 0.139 389 3HD2 LEU 53 3HD2 LEU 53 7.745 -2.360 -0.067 390 H ARG 54 H ARG 54 14.202 -3.565 -1.127 391 HA ARG 54 HA ARG 54 16.392 -2.404 0.085 392 1HB ARG 54 1HB ARG 54 15.874 -3.494 -2.303 393 2HB ARG 54 2HB ARG 54 15.913 -1.803 -2.805 394 1HG ARG 54 1HG ARG 54 18.164 -1.821 -2.733 395 2HG ARG 54 2HG ARG 54 18.117 -2.282 -1.031 396 1HD ARG 54 1HD ARG 54 19.348 -3.958 -2.427 397 2HD ARG 54 2HD ARG 54 17.899 -4.664 -1.682 398 HE ARG 54 HE ARG 54 17.305 -3.469 -4.259 399 1HH1 ARG 54 1HH1 ARG 54 16.717 -6.235 -2.758 400 2HH1 ARG 54 2HH1 ARG 54 17.227 -7.318 -4.011 401 1HH2 ARG 54 1HH2 ARG 54 18.810 -4.850 -5.863 402 2HH2 ARG 54 2HH2 ARG 54 18.411 -6.533 -5.769 403 H LYS 55 H LYS 55 13.621 -0.721 -1.266 404 HA LYS 55 HA LYS 55 14.064 1.726 0.064 405 1HB LYS 55 1HB LYS 55 16.095 2.033 -1.139 406 2HB LYS 55 2HB LYS 55 15.400 1.408 -2.634 407 1HG LYS 55 1HG LYS 55 15.692 3.944 -2.510 408 2HG LYS 55 2HG LYS 55 14.080 3.380 -2.945 409 1HD LYS 55 1HD LYS 55 13.438 3.575 -0.519 410 2HD LYS 55 2HD LYS 55 15.012 4.310 -0.213 411 1HE LYS 55 1HE LYS 55 13.406 5.484 -2.439 412 2HE LYS 55 2HE LYS 55 12.840 5.798 -0.785 413 1HZ LYS 55 1HZ LYS 55 14.876 6.732 -0.197 414 2HZ LYS 55 2HZ LYS 55 14.647 7.324 -1.773 415 3HZ LYS 55 3HZ LYS 55 15.703 6.023 -1.497 416 H SER 56 H SER 56 11.758 1.397 0.097 417 HA SER 56 HA SER 56 9.575 1.788 -0.655 418 1HB SER 56 1HB SER 56 11.275 3.403 -2.574 419 2HB SER 56 2HB SER 56 9.521 3.500 -2.564 420 HG SER 56 HG SER 56 9.606 4.679 -0.854 421 H ASN 57 H ASN 57 9.763 2.268 -3.910 422 HA ASN 57 HA ASN 57 9.589 0.906 -5.821 423 1HB ASN 57 1HB ASN 57 10.946 -0.908 -5.737 424 2HB ASN 57 2HB ASN 57 11.179 -0.554 -4.032 425 1HD2 ASN 57 1HD2 ASN 57 10.371 -2.085 -2.537 426 2HD2 ASN 57 2HD2 ASN 57 9.408 -3.413 -2.970 427 H PHE 58 H PHE 58 7.435 1.182 -6.245 428 HA PHE 58 HA PHE 58 5.572 -0.960 -5.435 429 1HB PHE 58 1HB PHE 58 4.846 1.939 -4.884 430 2HB PHE 58 2HB PHE 58 4.013 0.500 -4.320 431 HD1 PHE 58 1HD PHE 58 6.768 2.796 -3.685 432 HD2 PHE 58 2HD PHE 58 5.072 -1.017 -2.666 433 HE1 PHE 58 1HE PHE 58 8.169 2.710 -1.643 434 HE2 PHE 58 2HE PHE 58 6.477 -1.102 -0.629 435 HZ PHE 58 HZ PHE 58 8.037 0.758 -0.119 436 H ARG 59 H ARG 59 5.230 -1.493 -7.570 437 HA ARG 59 HA ARG 59 4.755 0.619 -9.590 438 1HB ARG 59 1HB ARG 59 4.309 -1.896 -10.763 439 2HB ARG 59 2HB ARG 59 5.790 -0.954 -10.845 440 1HG ARG 59 1HG ARG 59 6.627 -2.076 -8.805 441 2HG ARG 59 2HG ARG 59 5.139 -3.019 -8.717 442 1HD ARG 59 1HD ARG 59 6.587 -4.491 -9.857 443 2HD ARG 59 2HD ARG 59 5.772 -3.677 -11.208 444 HE ARG 59 HE ARG 59 8.551 -3.204 -10.302 445 1HH1 ARG 59 1HH2 ARG 59 6.729 -3.322 -13.012 446 2HH1 ARG 59 2HH2 ARG 59 7.242 -1.813 -13.689 447 1HH2 ARG 59 1HH1 ARG 59 8.839 -0.756 -10.797 448 2HH2 ARG 59 2HH1 ARG 59 8.438 -0.361 -12.435 449 H VAL 60 H VAL 60 2.744 1.495 -9.370 450 HA VAL 60 HA VAL 60 0.403 -0.160 -8.700 451 HB VAL 60 HB VAL 60 1.023 2.160 -7.844 452 1HG1 VAL 60 1HG1 VAL 60 -0.131 2.994 -10.520 453 2HG1 VAL 60 2HG1 VAL 60 1.593 3.020 -10.149 454 3HG1 VAL 60 3HG1 VAL 60 0.481 4.052 -9.248 455 1HG2 VAL 60 1HG2 VAL 60 -1.308 2.855 -7.738 456 2HG2 VAL 60 2HG2 VAL 60 -1.239 1.097 -7.624 457 3HG2 VAL 60 3HG2 VAL 60 -1.704 1.864 -9.142 458 H GLN 61 H GLN 61 -1.481 -0.263 -9.989 459 HA GLN 61 HA GLN 61 -1.755 0.775 -12.643 460 1HB GLN 61 1HB GLN 61 -1.183 -1.254 -13.905 461 2HB GLN 61 2HB GLN 61 0.209 -0.752 -12.944 462 1HG GLN 61 1HG GLN 61 -0.569 -2.368 -11.155 463 2HG GLN 61 2HG GLN 61 -1.766 -2.962 -12.306 464 1HE2 GLN 61 1HE2 GLN 61 1.031 -3.972 -11.101 465 2HE2 GLN 61 2HE2 GLN 61 1.777 -4.633 -12.474 466 H LEU 62 H LEU 62 -3.603 -0.476 -13.794 467 HA LEU 62 HA LEU 62 -5.204 -2.371 -12.316 468 1HB LEU 62 1HB LEU 62 -5.253 0.229 -11.341 469 2HB LEU 62 2HB LEU 62 -6.694 0.157 -12.355 470 HG LEU 62 HG LEU 62 -7.290 -2.007 -11.173 471 1HD1 LEU 62 1HD1 LEU 62 -5.121 -2.628 -10.300 472 2HD1 LEU 62 2HD1 LEU 62 -6.176 -2.298 -8.925 473 3HD1 LEU 62 3HD1 LEU 62 -4.983 -1.102 -9.427 474 1HD2 LEU 62 1HD2 LEU 62 -7.494 0.716 -10.276 475 2HD2 LEU 62 2HD2 LEU 62 -7.337 -0.335 -8.869 476 3HD2 LEU 62 3HD2 LEU 62 -8.635 -0.607 -10.032 477 H PHE 63 H PHE 63 -5.267 0.332 -14.642 478 HA PHE 63 HA PHE 63 -7.563 -0.278 -16.124 479 1HB PHE 63 1HB PHE 63 -5.675 1.556 -16.294 480 2HB PHE 63 2HB PHE 63 -4.976 0.448 -17.473 481 HD1 PHE 63 1HD PHE 63 -5.579 0.781 -19.692 482 HD2 PHE 63 2HD PHE 63 -8.359 1.831 -16.590 483 HE1 PHE 63 1HE PHE 63 -7.183 1.593 -21.402 484 HE2 PHE 63 2HE PHE 63 -9.962 2.642 -18.300 485 HZ PHE 63 HZ PHE 63 -9.373 2.523 -20.706 486 H GLU 64 H GLU 64 -4.270 -1.349 -17.070 487 HA GLU 64 HA GLU 64 -3.572 -3.315 -18.180 488 1HB GLU 64 1HB GLU 64 -5.206 -3.993 -16.096 489 2HB GLU 64 2HB GLU 64 -6.059 -4.744 -17.446 490 1HG GLU 64 1HG GLU 64 -4.483 -6.351 -17.652 491 2HG GLU 64 2HG GLU 64 -3.177 -5.167 -17.609 492 H ASP 65 H ASP 65 -3.891 -2.392 -20.313 493 HA ASP 65 HA ASP 65 -5.924 -3.772 -21.905 494 1HB ASP 65 1HB ASP 65 -7.128 -1.865 -20.791 495 2HB ASP 65 2HB ASP 65 -6.029 -0.754 -21.610 Start of MODEL 2 1 1H MET 1 1HT MET 1 -8.193 -6.961 -10.651 2 2H MET 1 2HT MET 1 -9.756 -6.606 -10.086 3 3H MET 1 3HT MET 1 -8.629 -7.354 -9.060 4 HA MET 1 HA MET 1 -7.237 -5.188 -9.602 5 1HB MET 1 1HB MET 1 -10.174 -4.500 -9.957 6 2HB MET 1 2HB MET 1 -8.874 -3.315 -9.841 7 1HG MET 1 1HG MET 1 -7.867 -4.113 -11.875 8 2HG MET 1 2HG MET 1 -8.931 -5.519 -11.918 9 1HE MET 1 1HE MET 1 -8.291 -1.937 -12.415 10 2HE MET 1 2HE MET 1 -9.517 -1.412 -13.566 11 3HE MET 1 3HE MET 1 -8.368 -2.666 -14.025 12 H ASP 2 H ASP 2 -10.382 -4.559 -8.128 13 HA ASP 2 HA ASP 2 -9.209 -4.023 -5.521 14 1HB ASP 2 1HB ASP 2 -11.633 -3.735 -4.943 15 2HB ASP 2 2HB ASP 2 -11.172 -2.854 -6.399 16 H ASP 3 H ASP 3 -9.857 -6.911 -7.090 17 HA ASP 3 HA ASP 3 -11.230 -8.689 -5.555 18 1HB ASP 3 1HB ASP 3 -9.911 -9.269 -7.527 19 2HB ASP 3 2HB ASP 3 -8.412 -8.984 -6.641 20 H GLN 4 H GLN 4 -7.829 -9.146 -4.877 21 HA GLN 4 HA GLN 4 -7.978 -9.965 -2.255 22 1HB GLN 4 1HB GLN 4 -5.997 -9.432 -3.969 23 2HB GLN 4 2HB GLN 4 -5.842 -7.990 -2.965 24 1HG GLN 4 1HG GLN 4 -6.127 -9.982 -1.082 25 2HG GLN 4 2HG GLN 4 -5.198 -10.795 -2.342 26 1HE2 GLN 4 1HE2 GLN 4 -2.979 -10.518 -2.100 27 2HE2 GLN 4 2HE2 GLN 4 -2.234 -9.173 -1.382 28 H GLY 5 H GLY 5 -8.310 -6.685 -3.447 29 1HA GLY 5 1HA GLY 5 -8.972 -4.713 -2.390 30 2HA GLY 5 2HA GLY 5 -9.730 -5.751 -1.183 31 H CYS 6 H CYS 6 -7.858 -3.234 -1.257 32 HA CYS 6 HA CYS 6 -5.424 -3.322 -0.169 33 1HB CYS 6 1HB CYS 6 -6.518 -1.264 -0.207 34 2HB CYS 6 2HB CYS 6 -7.942 -1.891 0.603 35 HA PRO 7 HA PRO 7 -5.777 -5.927 3.460 36 1HB PRO 7 1HB PRO 7 -3.084 -6.181 3.836 37 2HB PRO 7 2HB PRO 7 -3.976 -7.087 2.600 38 1HG PRO 7 1HG PRO 7 -2.108 -4.844 2.310 39 2HG PRO 7 2HG PRO 7 -2.620 -6.044 1.119 40 1HD PRO 7 1HD PRO 7 -3.533 -3.339 1.428 41 2HD PRO 7 2HD PRO 7 -4.026 -4.533 0.214 42 H ARG 8 H ARG 8 -3.661 -3.040 3.269 43 HA ARG 8 HA ARG 8 -3.405 -2.796 6.179 44 1HB ARG 8 1HB ARG 8 -1.886 -2.059 4.100 45 2HB ARG 8 2HB ARG 8 -2.787 -0.552 4.282 46 1HG ARG 8 1HG ARG 8 -1.439 0.009 5.984 47 2HG ARG 8 2HG ARG 8 -2.040 -1.381 6.891 48 1HD ARG 8 1HD ARG 8 -0.092 -2.153 4.842 49 2HD ARG 8 2HD ARG 8 0.585 -1.033 6.041 50 HE ARG 8 HE ARG 8 -0.657 -3.683 6.645 51 1HH1 ARG 8 1HH2 ARG 8 -0.658 -1.007 8.449 52 2HH1 ARG 8 2HH2 ARG 8 0.499 -1.515 9.634 53 1HH2 ARG 8 1HH1 ARG 8 1.552 -4.271 7.811 54 2HH2 ARG 8 2HH1 ARG 8 1.749 -3.363 9.272 55 H CYS 9 H CYS 9 -4.682 -0.444 3.816 56 HA CYS 9 HA CYS 9 -6.528 0.593 5.933 57 1HB CYS 9 1HB CYS 9 -6.771 2.208 3.658 58 2HB CYS 9 2HB CYS 9 -5.814 2.560 5.084 59 H LYS 10 H LYS 10 -7.412 -1.838 4.933 60 HA LYS 10 HA LYS 10 -8.850 -2.233 2.706 61 1HB LYS 10 1HB LYS 10 -9.728 -3.890 3.965 62 2HB LYS 10 2HB LYS 10 -8.856 -3.182 5.317 63 1HG LYS 10 1HG LYS 10 -10.816 -1.860 5.938 64 2HG LYS 10 2HG LYS 10 -11.696 -2.469 4.535 65 1HD LYS 10 1HD LYS 10 -10.507 -4.489 6.381 66 2HD LYS 10 2HD LYS 10 -11.919 -3.602 6.960 67 1HE LYS 10 1HE LYS 10 -13.286 -4.824 5.619 68 2HE LYS 10 2HE LYS 10 -12.286 -4.460 4.197 69 1HZ LYS 10 1HZ LYS 10 -11.979 -6.733 4.482 70 2HZ LYS 10 2HZ LYS 10 -12.003 -6.638 6.178 71 3HZ LYS 10 3HZ LYS 10 -10.646 -6.093 5.313 72 H THR 11 H THR 11 -9.545 -0.345 1.605 73 HA THR 11 HA THR 11 -12.240 0.539 2.140 74 HB THR 11 HB THR 11 -10.653 1.524 3.991 75 HG1 THR 11 1HG THR 11 -12.833 2.147 3.574 76 1HG2 THR 11 1HG2 THR 11 -10.162 3.466 1.716 77 2HG2 THR 11 2HG2 THR 11 -8.957 2.357 2.368 78 3HG2 THR 11 3HG2 THR 11 -9.607 3.647 3.380 79 H THR 12 H THR 12 -9.109 1.454 0.748 80 HA THR 12 HA THR 12 -9.774 3.387 -1.099 81 HB THR 12 HB THR 12 -7.877 2.074 -2.428 82 HG1 THR 12 1HG THR 12 -7.953 0.169 -1.343 83 1HG2 THR 12 1HG2 THR 12 -6.400 3.400 -1.236 84 2HG2 THR 12 2HG2 THR 12 -7.197 3.071 0.304 85 3HG2 THR 12 3HG2 THR 12 -7.938 4.174 -0.854 86 H LYS 13 H LYS 13 -8.893 0.611 -2.954 87 HA LYS 13 HA LYS 13 -10.448 0.973 -5.128 88 1HB LYS 13 1HB LYS 13 -9.891 -1.218 -5.641 89 2HB LYS 13 2HB LYS 13 -8.769 -0.863 -4.349 90 1HG LYS 13 1HG LYS 13 -11.462 -2.137 -3.828 91 2HG LYS 13 2HG LYS 13 -10.010 -3.083 -4.146 92 1HD LYS 13 1HD LYS 13 -8.896 -2.153 -2.238 93 2HD LYS 13 2HD LYS 13 -10.168 -0.963 -1.992 94 1HE LYS 13 1HE LYS 13 -11.769 -2.733 -1.430 95 2HE LYS 13 2HE LYS 13 -10.552 -3.976 -1.774 96 1HZ LYS 13 1HZ LYS 13 -10.916 -2.858 0.638 97 2HZ LYS 13 2HZ LYS 13 -9.713 -1.839 0.007 98 3HZ LYS 13 3HZ LYS 13 -9.440 -3.512 0.120 99 H TYR 14 H TYR 14 -11.751 -0.158 -2.042 100 HA TYR 14 HA TYR 14 -14.313 -0.965 -3.181 101 1HB TYR 14 1HB TYR 14 -12.925 -1.179 -0.742 102 2HB TYR 14 2HB TYR 14 -14.333 -0.186 -0.385 103 HD1 TYR 14 1HD TYR 14 -15.759 -1.686 0.787 104 HD2 TYR 14 2HD TYR 14 -14.017 -2.854 -2.962 105 HE1 TYR 14 1HE TYR 14 -17.197 -3.705 0.748 106 HE2 TYR 14 2HE TYR 14 -15.455 -4.873 -3.000 107 HH TYR 14 HH TYR 14 -17.408 -5.790 -0.241 108 H ARG 15 H ARG 15 -13.082 1.844 -1.370 109 HA ARG 15 HA ARG 15 -15.506 3.437 -1.986 110 1HB ARG 15 1HB ARG 15 -13.043 3.632 -0.296 111 2HB ARG 15 2HB ARG 15 -13.819 5.137 -0.767 112 1HG ARG 15 1HG ARG 15 -15.341 4.812 0.867 113 2HG ARG 15 2HG ARG 15 -15.880 3.349 0.037 114 1HD ARG 15 1HD ARG 15 -13.430 3.338 1.807 115 2HD ARG 15 2HD ARG 15 -15.053 3.058 2.466 116 HE ARG 15 HE ARG 15 -13.803 1.392 0.291 117 1HH1 ARG 15 1HH1 ARG 15 -13.930 0.312 3.085 118 2HH1 ARG 15 2HH1 ARG 15 -15.395 -0.612 3.055 119 1HH2 ARG 15 1HH2 ARG 15 -16.598 0.892 0.172 120 2HH2 ARG 15 2HH2 ARG 15 -16.905 -0.285 1.406 121 H ASN 16 H ASN 16 -11.995 3.918 -2.310 122 HA ASN 16 HA ASN 16 -12.132 5.927 -4.365 123 1HB ASN 16 1HB ASN 16 -10.208 4.357 -2.833 124 2HB ASN 16 2HB ASN 16 -9.678 4.573 -4.497 125 1HD2 ASN 16 1HD2 ASN 16 -7.963 5.904 -3.246 126 2HD2 ASN 16 2HD2 ASN 16 -8.318 7.546 -2.988 127 HA PRO 17 HA PRO 17 -12.788 2.725 -7.467 128 1HB PRO 17 1HB PRO 17 -14.110 4.332 -9.254 129 2HB PRO 17 2HB PRO 17 -14.904 3.590 -7.852 130 1HG PRO 17 1HG PRO 17 -14.136 6.388 -8.326 131 2HG PRO 17 2HG PRO 17 -15.340 5.723 -7.217 132 1HD PRO 17 1HD PRO 17 -12.685 6.626 -6.618 133 2HD PRO 17 2HD PRO 17 -13.888 5.942 -5.503 134 H SER 18 H SER 18 -10.923 5.531 -7.429 135 HA SER 18 HA SER 18 -9.922 5.152 -10.218 136 1HB SER 18 1HB SER 18 -10.586 7.400 -9.599 137 2HB SER 18 2HB SER 18 -9.616 7.330 -8.131 138 HG SER 18 HG SER 18 -8.031 8.031 -9.275 139 H LEU 19 H LEU 19 -8.990 4.887 -6.833 140 HA LEU 19 HA LEU 19 -6.139 4.643 -7.351 141 1HB LEU 19 1HB LEU 19 -5.994 4.574 -5.065 142 2HB LEU 19 2HB LEU 19 -7.621 5.222 -5.192 143 HG LEU 19 HG LEU 19 -7.782 3.468 -3.603 144 1HD1 LEU 19 1HD1 LEU 19 -9.574 2.499 -4.521 145 2HD1 LEU 19 2HD1 LEU 19 -8.587 1.629 -5.693 146 3HD1 LEU 19 3HD1 LEU 19 -9.132 3.265 -6.041 147 1HD2 LEU 19 1HD2 LEU 19 -5.558 2.402 -4.926 148 2HD2 LEU 19 2HD2 LEU 19 -6.825 1.197 -5.125 149 3HD2 LEU 19 3HD2 LEU 19 -6.363 1.734 -3.511 150 H LYS 20 H LYS 20 -4.944 2.608 -6.728 151 HA LYS 20 HA LYS 20 -6.452 0.102 -7.260 152 1HB LYS 20 1HB LYS 20 -4.676 -0.441 -8.996 153 2HB LYS 20 2HB LYS 20 -5.741 0.887 -9.448 154 1HG LYS 20 1HG LYS 20 -3.994 2.458 -8.466 155 2HG LYS 20 2HG LYS 20 -2.919 1.061 -8.365 156 1HD LYS 20 1HD LYS 20 -2.339 1.554 -10.497 157 2HD LYS 20 2HD LYS 20 -3.915 0.909 -10.951 158 1HE LYS 20 1HE LYS 20 -4.755 2.992 -11.402 159 2HE LYS 20 2HE LYS 20 -3.939 3.721 -10.004 160 1HZ LYS 20 1HZ LYS 20 -3.003 4.392 -12.206 161 2HZ LYS 20 2HZ LYS 20 -2.541 2.776 -12.456 162 3HZ LYS 20 3HZ LYS 20 -1.870 3.665 -11.174 163 H LEU 21 H LEU 21 -3.979 -1.397 -7.612 164 HA LEU 21 HA LEU 21 -2.786 -1.094 -4.880 165 1HB LEU 21 1HB LEU 21 -3.793 -3.439 -6.479 166 2HB LEU 21 2HB LEU 21 -2.576 -3.686 -5.230 167 HG LEU 21 HG LEU 21 -4.064 -2.624 -3.567 168 1HD1 LEU 21 1HD1 LEU 21 -5.638 -2.052 -6.029 169 2HD1 LEU 21 2HD1 LEU 21 -5.491 -1.105 -4.549 170 3HD1 LEU 21 3HD1 LEU 21 -6.564 -2.501 -4.599 171 1HD2 LEU 21 1HD2 LEU 21 -4.727 -4.758 -3.277 172 2HD2 LEU 21 2HD2 LEU 21 -4.608 -5.084 -5.007 173 3HD2 LEU 21 3HD2 LEU 21 -6.093 -4.409 -4.338 174 H MET 22 H MET 22 -0.511 -1.204 -4.807 175 HA MET 22 HA MET 22 0.854 -1.503 -7.441 176 1HB MET 22 1HB MET 22 2.473 -0.419 -5.281 177 2HB MET 22 2HB MET 22 2.077 0.312 -6.817 178 1HG MET 22 1HG MET 22 -0.095 1.064 -5.903 179 2HG MET 22 2HG MET 22 0.320 0.341 -4.356 180 1HE MET 22 1HE MET 22 2.818 2.263 -6.788 181 2HE MET 22 2HE MET 22 3.525 1.208 -5.568 182 3HE MET 22 3HE MET 22 3.777 2.948 -5.472 183 H VAL 23 H VAL 23 2.302 -3.116 -7.720 184 HA VAL 23 HA VAL 23 2.769 -4.960 -5.410 185 HB VAL 23 HB VAL 23 3.018 -5.344 -8.412 186 1HG1 VAL 23 1HG1 VAL 23 3.215 -7.201 -6.039 187 2HG1 VAL 23 2HG1 VAL 23 4.369 -6.983 -7.354 188 3HG1 VAL 23 3HG1 VAL 23 2.833 -7.795 -7.656 189 1HG2 VAL 23 1HG2 VAL 23 0.755 -5.358 -8.339 190 2HG2 VAL 23 2HG2 VAL 23 0.740 -5.341 -6.576 191 3HG2 VAL 23 3HG2 VAL 23 0.899 -6.869 -7.442 192 H ASN 24 H ASN 24 5.010 -6.176 -5.693 193 HA ASN 24 HA ASN 24 7.179 -4.756 -6.986 194 1HB ASN 24 1HB ASN 24 8.143 -3.930 -4.779 195 2HB ASN 24 2HB ASN 24 6.723 -3.075 -5.373 196 1HD2 ASN 24 1HD2 ASN 24 4.656 -3.480 -4.265 197 2HD2 ASN 24 2HD2 ASN 24 4.618 -4.205 -2.730 198 H VAL 25 H VAL 25 9.317 -5.501 -6.183 199 HA VAL 25 HA VAL 25 10.624 -7.526 -6.100 200 HB VAL 25 HB VAL 25 11.101 -6.162 -4.224 201 1HG1 VAL 25 1HG1 VAL 25 9.485 -6.697 -2.117 202 2HG1 VAL 25 2HG1 VAL 25 8.336 -6.896 -3.439 203 3HG1 VAL 25 3HG1 VAL 25 9.199 -5.371 -3.243 204 1HG2 VAL 25 1HG2 VAL 25 10.594 -8.389 -2.454 205 2HG2 VAL 25 2HG2 VAL 25 12.128 -7.815 -3.105 206 3HG2 VAL 25 3HG2 VAL 25 11.158 -8.971 -4.019 207 H CYS 26 H CYS 26 8.922 -8.656 -3.280 208 HA CYS 26 HA CYS 26 8.662 -11.308 -4.051 209 1HB CYS 26 1HB CYS 26 6.688 -11.242 -2.396 210 2HB CYS 26 2HB CYS 26 8.239 -10.648 -1.803 211 H GLY 27 H GLY 27 6.297 -8.691 -4.622 212 1HA GLY 27 1HA GLY 27 4.933 -8.617 -6.632 213 2HA GLY 27 2HA GLY 27 5.116 -10.365 -6.780 214 H HIS 28 H HIS 28 3.994 -8.146 -4.187 215 HA HIS 28 HA HIS 28 1.749 -10.044 -3.693 216 1HB HIS 28 1HB HIS 28 3.404 -8.148 -2.109 217 2HB HIS 28 2HB HIS 28 1.716 -8.304 -1.607 218 HD2 HIS 28 2HD HIS 28 1.422 -11.554 -2.302 219 HE1 HIS 28 1HE HIS 28 4.586 -12.035 0.442 220 HE2 HIS 28 2HE HIS 28 2.710 -13.227 -0.775 221 H THR 29 H THR 29 1.377 -6.762 -2.594 222 HA THR 29 HA THR 29 0.112 -5.524 -4.806 223 HB THR 29 HB THR 29 -1.393 -7.693 -3.448 224 HG1 THR 29 1HG THR 29 -1.897 -8.083 -5.456 225 1HG2 THR 29 1HG2 THR 29 -3.565 -6.391 -4.185 226 2HG2 THR 29 2HG2 THR 29 -2.567 -4.966 -3.898 227 3HG2 THR 29 3HG2 THR 29 -2.870 -6.107 -2.591 228 H LEU 30 H LEU 30 -0.125 -3.416 -4.140 229 HA LEU 30 HA LEU 30 -0.789 -2.920 -1.253 230 1HB LEU 30 1HB LEU 30 1.556 -2.325 -2.742 231 2HB LEU 30 2HB LEU 30 0.758 -0.805 -2.380 232 HG LEU 30 HG LEU 30 0.681 -1.353 -0.042 233 1HD1 LEU 30 1HD1 LEU 30 0.956 -3.999 -1.081 234 2HD1 LEU 30 2HD1 LEU 30 0.601 -3.523 0.575 235 3HD1 LEU 30 3HD1 LEU 30 2.270 -3.717 0.044 236 1HD2 LEU 30 1HD2 LEU 30 3.048 -0.982 -1.508 237 2HD2 LEU 30 2HD2 LEU 30 3.428 -2.238 -0.333 238 3HD2 LEU 30 3HD2 LEU 30 2.822 -0.674 0.212 239 H CYS 31 H CYS 31 -2.887 -2.104 -1.408 240 HA CYS 31 HA CYS 31 -4.032 -0.678 -3.533 241 1HB CYS 31 1HB CYS 31 -5.700 -0.634 -2.017 242 2HB CYS 31 2HB CYS 31 -4.615 -1.435 -0.920 243 H GLU 32 H GLU 32 -4.490 1.828 -3.434 244 HA GLU 32 HA GLU 32 -1.898 3.148 -3.501 245 1HB GLU 32 1HB GLU 32 -3.079 4.852 -4.488 246 2HB GLU 32 2HB GLU 32 -4.343 3.641 -4.590 247 1HG GLU 32 1HG GLU 32 -5.402 5.554 -3.657 248 2HG GLU 32 2HG GLU 32 -5.119 4.492 -2.285 249 H SER 33 H SER 33 -4.576 3.176 -1.161 250 HA SER 33 HA SER 33 -3.414 5.086 0.620 251 1HB SER 33 1HB SER 33 -5.475 2.875 0.914 252 2HB SER 33 2HB SER 33 -5.058 3.971 2.234 253 HG SER 33 HG SER 33 -6.755 4.872 1.139 254 H CYS 34 H CYS 34 -2.550 1.773 -0.011 255 HA CYS 34 HA CYS 34 -1.460 1.281 2.681 256 1HB CYS 34 1HB CYS 34 -1.352 -0.124 -0.002 257 2HB CYS 34 2HB CYS 34 -0.289 -0.594 1.323 258 H VAL 35 H VAL 35 0.162 1.222 -0.469 259 HA VAL 35 HA VAL 35 2.779 1.587 0.205 260 HB VAL 35 HB VAL 35 0.984 2.315 -2.018 261 1HG1 VAL 35 1HG1 VAL 35 3.076 3.529 -3.092 262 2HG1 VAL 35 2HG1 VAL 35 3.400 3.961 -1.414 263 3HG1 VAL 35 3HG1 VAL 35 1.881 4.438 -2.169 264 1HG2 VAL 35 1HG2 VAL 35 2.103 0.422 -2.542 265 2HG2 VAL 35 2HG2 VAL 35 3.475 0.821 -1.510 266 3HG2 VAL 35 3HG2 VAL 35 3.331 1.546 -3.110 267 H ASP 36 H ASP 36 0.302 4.171 0.136 268 HA ASP 36 HA ASP 36 2.106 6.306 0.776 269 1HB ASP 36 1HB ASP 36 0.198 7.477 0.444 270 2HB ASP 36 2HB ASP 36 -0.601 5.939 0.155 271 H LEU 37 H LEU 37 -0.272 4.760 3.056 272 HA LEU 37 HA LEU 37 0.948 5.797 5.405 273 1HB LEU 37 1HB LEU 37 -0.844 3.521 4.659 274 2HB LEU 37 2HB LEU 37 -0.145 3.505 6.278 275 HG LEU 37 HG LEU 37 -1.390 6.037 5.255 276 1HD1 LEU 37 1HD1 LEU 37 -3.072 4.016 6.701 277 2HD1 LEU 37 2HD1 LEU 37 -2.905 3.899 4.949 278 3HD1 LEU 37 3HD1 LEU 37 -3.578 5.358 5.675 279 1HD2 LEU 37 1HD2 LEU 37 -1.314 6.633 7.454 280 2HD2 LEU 37 2HD2 LEU 37 -0.145 5.320 7.588 281 3HD2 LEU 37 3HD2 LEU 37 -1.837 5.040 8.001 282 H LEU 38 H LEU 38 1.483 2.765 3.663 283 HA LEU 38 HA LEU 38 3.314 1.469 5.311 284 1HB LEU 38 1HB LEU 38 2.297 1.073 2.877 285 2HB LEU 38 2HB LEU 38 3.852 1.731 2.372 286 HG LEU 38 HG LEU 38 3.923 -0.737 2.526 287 1HD1 LEU 38 1HD1 LEU 38 5.736 1.078 3.637 288 2HD1 LEU 38 2HD1 LEU 38 6.067 -0.596 3.218 289 3HD1 LEU 38 3HD1 LEU 38 5.580 -0.177 4.860 290 1HD2 LEU 38 1HD2 LEU 38 3.559 -1.880 4.601 291 2HD2 LEU 38 2HD2 LEU 38 2.188 -0.787 4.408 292 3HD2 LEU 38 3HD2 LEU 38 3.503 -0.368 5.505 293 H PHE 39 H PHE 39 4.108 3.904 2.791 294 HA PHE 39 HA PHE 39 6.852 4.052 3.787 295 1HB PHE 39 1HB PHE 39 5.612 5.654 1.571 296 2HB PHE 39 2HB PHE 39 7.300 5.163 1.736 297 HD1 PHE 39 1HD PHE 39 5.202 4.603 -0.590 298 HD2 PHE 39 2HD PHE 39 6.682 2.331 2.735 299 HE1 PHE 39 1HE PHE 39 4.661 2.498 -1.784 300 HE2 PHE 39 2HE PHE 39 6.143 0.225 1.544 301 HZ PHE 39 HZ PHE 39 5.109 0.308 -0.705 302 H VAL 40 H VAL 40 4.034 6.150 3.949 303 HA VAL 40 HA VAL 40 5.265 8.637 4.413 304 HB VAL 40 HB VAL 40 3.333 9.221 5.771 305 1HG1 VAL 40 1HG1 VAL 40 2.157 9.218 3.875 306 2HG1 VAL 40 2HG1 VAL 40 1.709 7.539 4.173 307 3HG1 VAL 40 3HG1 VAL 40 3.154 7.912 3.234 308 1HG2 VAL 40 1HG2 VAL 40 1.718 7.213 6.261 309 2HG2 VAL 40 2HG2 VAL 40 3.069 7.534 7.348 310 3HG2 VAL 40 3HG2 VAL 40 3.191 6.255 6.144 311 H ARG 41 H ARG 41 5.290 5.784 6.400 312 HA ARG 41 HA ARG 41 6.405 7.198 8.752 313 1HB ARG 41 1HB ARG 41 6.409 4.220 8.478 314 2HB ARG 41 2HB ARG 41 5.944 5.212 9.857 315 1HG ARG 41 1HG ARG 41 3.926 5.931 8.393 316 2HG ARG 41 2HG ARG 41 4.333 4.530 7.402 317 1HD ARG 41 1HD ARG 41 4.324 3.842 10.238 318 2HD ARG 41 2HD ARG 41 2.759 4.500 9.721 319 HE ARG 41 HE ARG 41 2.750 2.782 7.921 320 1HH1 ARG 41 1HH2 ARG 41 3.736 1.869 10.913 321 2HH1 ARG 41 2HH2 ARG 41 4.652 0.483 10.423 322 1HH2 ARG 41 1HH1 ARG 41 4.533 1.270 7.047 323 2HH2 ARG 41 2HH1 ARG 41 5.103 0.143 8.233 324 H GLY 42 H GLY 42 7.709 6.804 5.934 325 1HA GLY 42 1HA GLY 42 10.069 6.957 5.477 326 2HA GLY 42 2HA GLY 42 10.392 6.124 6.999 327 H ALA 43 H ALA 43 8.210 5.259 4.281 328 HA ALA 43 HA ALA 43 8.244 3.327 2.880 329 1HB ALA 43 1HB ALA 43 10.702 4.167 2.932 330 2HB ALA 43 2HB ALA 43 10.360 2.546 2.330 331 3HB ALA 43 3HB ALA 43 10.978 2.767 3.968 332 H GLY 44 H GLY 44 9.796 0.836 3.794 333 1HA GLY 44 1HA GLY 44 9.554 -0.185 6.221 334 2HA GLY 44 2HA GLY 44 7.841 0.121 5.934 335 H ASN 45 H ASN 45 8.802 -0.494 2.953 336 HA ASN 45 HA ASN 45 8.927 -2.410 1.574 337 1HB ASN 45 1HB ASN 45 9.188 -4.076 4.069 338 2HB ASN 45 2HB ASN 45 9.951 -4.309 2.497 339 1HD2 ASN 45 1HD2 ASN 45 11.392 -4.147 5.073 340 2HD2 ASN 45 2HD2 ASN 45 12.404 -2.787 4.979 341 H CYS 46 H CYS 46 7.785 -4.711 1.485 342 HA CYS 46 HA CYS 46 5.080 -4.485 1.199 343 1HB CYS 46 1HB CYS 46 6.943 -6.449 1.076 344 2HB CYS 46 2HB CYS 46 5.985 -7.006 2.445 345 HA PRO 47 HA PRO 47 3.445 -4.148 5.314 346 1HB PRO 47 1HB PRO 47 0.822 -4.077 4.529 347 2HB PRO 47 2HB PRO 47 1.918 -2.712 4.334 348 1HG PRO 47 1HG PRO 47 0.839 -4.570 2.341 349 2HG PRO 47 2HG PRO 47 1.441 -2.921 2.138 350 1HD PRO 47 1HD PRO 47 2.792 -5.354 1.545 351 2HD PRO 47 2HD PRO 47 3.434 -3.701 1.447 352 H GLU 48 H GLU 48 2.992 -6.758 3.130 353 HA GLU 48 HA GLU 48 1.476 -8.315 5.185 354 1HB GLU 48 1HB GLU 48 0.464 -9.423 3.393 355 2HB GLU 48 2HB GLU 48 0.689 -7.806 2.741 356 1HG GLU 48 1HG GLU 48 1.620 -8.974 1.004 357 2HG GLU 48 2HG GLU 48 3.053 -8.895 2.027 358 H CYS 49 H CYS 49 4.417 -8.381 3.168 359 HA CYS 49 HA CYS 49 5.226 -10.824 4.706 360 1HB CYS 49 1HB CYS 49 5.992 -11.813 2.748 361 2HB CYS 49 2HB CYS 49 4.627 -10.891 2.134 362 H GLY 50 H GLY 50 5.727 -7.685 4.670 363 1HA GLY 50 1HA GLY 50 7.590 -6.239 4.932 364 2HA GLY 50 2HA GLY 50 7.984 -7.448 6.152 365 H THR 51 H THR 51 8.754 -6.224 2.986 366 HA THR 51 HA THR 51 10.834 -8.327 2.589 367 HB THR 51 HB THR 51 10.915 -7.375 0.322 368 HG1 THR 51 1HG THR 51 9.092 -5.667 0.129 369 1HG2 THR 51 1HG2 THR 51 9.184 -8.967 0.516 370 2HG2 THR 51 2HG2 THR 51 8.387 -7.567 -0.204 371 3HG2 THR 51 3HG2 THR 51 8.199 -7.901 1.518 372 HA PRO 52 HA PRO 52 13.992 -5.464 3.696 373 1HB PRO 52 1HB PRO 52 16.051 -6.258 2.082 374 2HB PRO 52 2HB PRO 52 15.473 -7.219 3.456 375 1HG PRO 52 1HG PRO 52 15.073 -7.614 0.556 376 2HG PRO 52 2HG PRO 52 15.105 -8.801 1.865 377 1HD PRO 52 1HD PRO 52 12.824 -7.748 0.577 378 2HD PRO 52 2HD PRO 52 12.853 -8.749 2.045 379 H LEU 53 H LEU 53 12.443 -3.800 2.340 380 HA LEU 53 HA LEU 53 14.129 -2.696 0.117 381 1HB LEU 53 1HB LEU 53 11.124 -2.537 0.557 382 2HB LEU 53 2HB LEU 53 11.998 -1.982 -0.871 383 HG LEU 53 HG LEU 53 11.560 -4.839 0.070 384 1HD1 LEU 53 1HD1 LEU 53 9.859 -4.026 -1.404 385 2HD1 LEU 53 2HD1 LEU 53 10.924 -5.058 -2.359 386 3HD1 LEU 53 3HD1 LEU 53 11.056 -3.310 -2.486 387 1HD2 LEU 53 1HD2 LEU 53 13.085 -5.063 -2.193 388 2HD2 LEU 53 2HD2 LEU 53 13.723 -5.215 -0.558 389 3HD2 LEU 53 3HD2 LEU 53 13.846 -3.678 -1.413 390 H ARG 54 H ARG 54 13.350 -0.157 -0.098 391 HA ARG 54 HA ARG 54 12.621 1.199 2.343 392 1HB ARG 54 1HB ARG 54 14.801 0.178 2.994 393 2HB ARG 54 2HB ARG 54 15.580 1.061 1.682 394 1HG ARG 54 1HG ARG 54 14.682 3.190 2.729 395 2HG ARG 54 2HG ARG 54 14.192 2.216 4.116 396 1HD ARG 54 1HD ARG 54 16.308 2.725 4.874 397 2HD ARG 54 2HD ARG 54 16.800 1.410 3.788 398 HE ARG 54 HE ARG 54 16.505 3.885 2.327 399 1HH1 ARG 54 1HH2 ARG 54 18.700 1.593 3.345 400 2HH1 ARG 54 2HH2 ARG 54 20.075 2.647 3.371 401 1HH2 ARG 54 1HH1 ARG 54 18.209 5.526 2.871 402 2HH2 ARG 54 2HH1 ARG 54 19.796 4.874 3.102 403 H LYS 55 H LYS 55 11.613 1.891 0.001 404 HA LYS 55 HA LYS 55 12.291 4.607 -0.424 405 1HB LYS 55 1HB LYS 55 13.451 4.239 -2.708 406 2HB LYS 55 2HB LYS 55 14.412 3.944 -1.262 407 1HG LYS 55 1HG LYS 55 14.785 2.081 -2.731 408 2HG LYS 55 2HG LYS 55 13.724 1.498 -1.451 409 1HD LYS 55 1HD LYS 55 11.825 1.541 -2.847 410 2HD LYS 55 2HD LYS 55 12.600 2.614 -4.015 411 1HE LYS 55 1HE LYS 55 13.600 -0.195 -3.465 412 2HE LYS 55 2HE LYS 55 12.438 0.185 -4.750 413 1HZ LYS 55 1HZ LYS 55 14.073 1.978 -5.421 414 2HZ LYS 55 2HZ LYS 55 14.574 0.383 -5.721 415 3HZ LYS 55 3HZ LYS 55 15.195 1.235 -4.390 416 H SER 56 H SER 56 9.876 3.273 -0.289 417 HA SER 56 HA SER 56 7.856 2.857 -1.449 418 1HB SER 56 1HB SER 56 7.630 4.660 -3.330 419 2HB SER 56 2HB SER 56 7.821 5.202 -1.664 420 HG SER 56 HG SER 56 9.579 6.140 -2.242 421 H ASN 57 H ASN 57 9.333 0.831 -2.143 422 HA ASN 57 HA ASN 57 9.974 0.695 -5.023 423 1HB ASN 57 1HB ASN 57 10.636 -1.612 -4.306 424 2HB ASN 57 2HB ASN 57 11.350 -0.364 -3.283 425 1HD2 ASN 57 1HD2 ASN 57 8.727 -2.781 -3.423 426 2HD2 ASN 57 2HD2 ASN 57 8.466 -2.835 -1.745 427 H PHE 58 H PHE 58 7.224 1.210 -4.853 428 HA PHE 58 HA PHE 58 6.041 -1.491 -5.390 429 1HB PHE 58 1HB PHE 58 4.723 0.916 -4.080 430 2HB PHE 58 2HB PHE 58 4.021 -0.687 -4.244 431 HD1 PHE 58 1HD PHE 58 7.097 0.964 -2.858 432 HD2 PHE 58 2HD PHE 58 4.267 -2.242 -2.546 433 HE1 PHE 58 1HE PHE 58 8.227 0.171 -0.796 434 HE2 PHE 58 2HE PHE 58 5.385 -3.032 -0.479 435 HZ PHE 58 HZ PHE 58 7.370 -1.828 0.393 436 H ARG 59 H ARG 59 5.202 -1.700 -7.387 437 HA ARG 59 HA ARG 59 4.862 0.722 -9.082 438 1HB ARG 59 1HB ARG 59 4.593 -1.114 -10.857 439 2HB ARG 59 2HB ARG 59 6.164 -1.021 -10.067 440 1HG ARG 59 1HG ARG 59 5.768 -2.937 -8.772 441 2HG ARG 59 2HG ARG 59 4.017 -2.808 -8.947 442 1HD ARG 59 1HD ARG 59 5.068 -4.658 -10.335 443 2HD ARG 59 2HD ARG 59 4.159 -3.473 -11.294 444 HE ARG 59 HE ARG 59 6.229 -2.714 -12.187 445 1HH1 ARG 59 1HH2 ARG 59 7.539 -2.259 -9.505 446 2HH1 ARG 59 2HH2 ARG 59 8.877 -3.356 -9.576 447 1HH2 ARG 59 1HH1 ARG 59 7.586 -5.170 -12.236 448 2HH2 ARG 59 2HH1 ARG 59 8.903 -5.005 -11.123 449 H VAL 60 H VAL 60 2.875 1.596 -8.930 450 HA VAL 60 HA VAL 60 0.535 -0.023 -8.202 451 HB VAL 60 HB VAL 60 1.026 2.107 -7.157 452 1HG1 VAL 60 1HG1 VAL 60 2.214 3.322 -8.807 453 2HG1 VAL 60 2HG1 VAL 60 0.681 4.183 -8.674 454 3HG1 VAL 60 3HG1 VAL 60 0.957 3.076 -10.020 455 1HG2 VAL 60 1HG2 VAL 60 -1.410 2.050 -8.960 456 2HG2 VAL 60 2HG2 VAL 60 -1.168 3.291 -7.731 457 3HG2 VAL 60 3HG2 VAL 60 -1.317 1.597 -7.259 458 H GLN 61 H GLN 61 -1.083 -0.627 -9.522 459 HA GLN 61 HA GLN 61 -1.737 0.652 -12.045 460 1HB GLN 61 1HB GLN 61 -0.987 -1.244 -13.463 461 2HB GLN 61 2HB GLN 61 0.376 -0.489 -12.634 462 1HG GLN 61 1HG GLN 61 -0.400 -2.366 -10.797 463 2HG GLN 61 2HG GLN 61 -0.773 -3.193 -12.310 464 1HE2 GLN 61 1HE2 GLN 61 1.062 -4.680 -11.958 465 2HE2 GLN 61 2HE2 GLN 61 2.659 -4.154 -12.200 466 H LEU 62 H LEU 62 -3.352 -0.932 -13.265 467 HA LEU 62 HA LEU 62 -4.608 -3.067 -11.769 468 1HB LEU 62 1HB LEU 62 -5.090 -0.552 -10.776 469 2HB LEU 62 2HB LEU 62 -6.457 -0.765 -11.862 470 HG LEU 62 HG LEU 62 -7.043 -2.875 -10.752 471 1HD1 LEU 62 1HD1 LEU 62 -5.810 -3.428 -8.595 472 2HD1 LEU 62 2HD1 LEU 62 -4.568 -2.293 -9.111 473 3HD1 LEU 62 3HD1 LEU 62 -4.904 -3.729 -10.075 474 1HD2 LEU 62 1HD2 LEU 62 -8.231 -1.657 -9.275 475 2HD2 LEU 62 2HD2 LEU 62 -7.165 -0.290 -9.592 476 3HD2 LEU 62 3HD2 LEU 62 -6.794 -1.411 -8.282 477 H PHE 63 H PHE 63 -5.197 -4.261 -13.554 478 HA PHE 63 HA PHE 63 -7.232 -3.308 -15.376 479 1HB PHE 63 1HB PHE 63 -4.905 -2.183 -15.948 480 2HB PHE 63 2HB PHE 63 -4.579 -3.739 -16.714 481 HD1 PHE 63 1HD PHE 63 -6.717 -0.731 -16.751 482 HD2 PHE 63 2HD PHE 63 -5.827 -4.469 -18.671 483 HE1 PHE 63 1HE PHE 63 -8.081 -0.050 -18.707 484 HE2 PHE 63 2HE PHE 63 -7.191 -3.788 -20.627 485 HZ PHE 63 HZ PHE 63 -8.318 -1.579 -20.646 486 H GLU 64 H GLU 64 -7.757 -4.983 -17.012 487 HA GLU 64 HA GLU 64 -7.059 -7.697 -16.031 488 1HB GLU 64 1HB GLU 64 -9.408 -6.656 -16.578 489 2HB GLU 64 2HB GLU 64 -8.979 -7.023 -18.249 490 1HG GLU 64 1HG GLU 64 -8.828 -9.349 -17.812 491 2HG GLU 64 2HG GLU 64 -8.755 -9.099 -16.067 492 H ASP 65 H ASP 65 -4.801 -6.854 -17.158 493 HA ASP 65 HA ASP 65 -4.830 -7.975 -19.944 494 1HB ASP 65 1HB ASP 65 -4.448 -5.442 -19.518 495 2HB ASP 65 2HB ASP 65 -2.875 -5.931 -18.887 Start of MODEL 3 1 1H MET 1 1HT MET 1 -10.303 -7.132 -8.164 2 2H MET 1 2HT MET 1 -10.190 -6.040 -9.460 3 3H MET 1 3HT MET 1 -10.641 -7.654 -9.742 4 HA MET 1 HA MET 1 -12.453 -5.784 -9.649 5 1HB MET 1 1HB MET 1 -13.962 -7.625 -8.867 6 2HB MET 1 2HB MET 1 -12.779 -8.176 -10.054 7 1HG MET 1 1HG MET 1 -11.311 -8.738 -7.973 8 2HG MET 1 2HG MET 1 -12.825 -8.635 -7.075 9 1HE MET 1 1HE MET 1 -11.072 -10.785 -6.982 10 2HE MET 1 2HE MET 1 -11.513 -12.311 -7.745 11 3HE MET 1 3HE MET 1 -12.551 -11.625 -6.498 12 H ASP 2 H ASP 2 -11.142 -4.377 -7.863 13 HA ASP 2 HA ASP 2 -11.126 -3.436 -5.685 14 1HB ASP 2 1HB ASP 2 -14.022 -4.233 -6.131 15 2HB ASP 2 2HB ASP 2 -13.480 -3.073 -4.919 16 H ASP 3 H ASP 3 -13.825 -5.409 -4.694 17 HA ASP 3 HA ASP 3 -13.967 -6.835 -2.792 18 1HB ASP 3 1HB ASP 3 -12.953 -8.936 -3.352 19 2HB ASP 3 2HB ASP 3 -13.333 -8.156 -4.887 20 H GLN 4 H GLN 4 -11.757 -8.439 -1.735 21 HA GLN 4 HA GLN 4 -10.779 -6.912 0.368 22 1HB GLN 4 1HB GLN 4 -10.387 -9.449 -0.722 23 2HB GLN 4 2HB GLN 4 -8.772 -8.741 -0.733 24 1HG GLN 4 1HG GLN 4 -10.562 -8.637 1.702 25 2HG GLN 4 2HG GLN 4 -9.456 -9.979 1.406 26 1HE2 GLN 4 1HE2 GLN 4 -7.104 -9.031 0.707 27 2HE2 GLN 4 2HE2 GLN 4 -6.524 -7.806 1.727 28 H GLY 5 H GLY 5 -9.180 -7.422 -2.782 29 1HA GLY 5 1HA GLY 5 -7.336 -6.298 -3.735 30 2HA GLY 5 2HA GLY 5 -8.323 -4.886 -3.359 31 H CYS 6 H CYS 6 -7.586 -3.484 -1.798 32 HA CYS 6 HA CYS 6 -4.952 -3.362 -0.980 33 1HB CYS 6 1HB CYS 6 -6.344 -1.475 -0.664 34 2HB CYS 6 2HB CYS 6 -7.545 -2.406 0.216 35 HA PRO 7 HA PRO 7 -4.757 -6.446 2.262 36 1HB PRO 7 1HB PRO 7 -2.041 -6.334 2.527 37 2HB PRO 7 2HB PRO 7 -2.843 -7.183 1.193 38 1HG PRO 7 1HG PRO 7 -1.346 -4.660 1.191 39 2HG PRO 7 2HG PRO 7 -1.723 -5.746 -0.150 40 1HD PRO 7 1HD PRO 7 -3.021 -3.286 0.568 41 2HD PRO 7 2HD PRO 7 -3.377 -4.361 -0.795 42 H ARG 8 H ARG 8 -2.974 -3.334 2.411 43 HA ARG 8 HA ARG 8 -2.678 -3.372 5.321 44 1HB ARG 8 1HB ARG 8 -1.292 -2.244 3.358 45 2HB ARG 8 2HB ARG 8 -2.433 -0.925 3.599 46 1HG ARG 8 1HG ARG 8 -1.457 -0.267 5.502 47 2HG ARG 8 2HG ARG 8 -1.369 -1.921 6.122 48 1HD ARG 8 1HD ARG 8 0.624 -2.315 4.661 49 2HD ARG 8 2HD ARG 8 0.545 -0.619 4.141 50 HE ARG 8 HE ARG 8 1.738 -1.457 6.560 51 1HH1 ARG 8 1HH2 ARG 8 0.830 1.357 5.232 52 2HH1 ARG 8 2HH2 ARG 8 0.298 2.138 6.685 53 1HH2 ARG 8 1HH1 ARG 8 0.345 -0.764 8.581 54 2HH2 ARG 8 2HH1 ARG 8 0.022 0.938 8.579 55 H CYS 9 H CYS 9 -4.219 -0.888 3.292 56 HA CYS 9 HA CYS 9 -6.123 -0.305 5.511 57 1HB CYS 9 1HB CYS 9 -6.559 1.581 3.531 58 2HB CYS 9 2HB CYS 9 -5.507 1.785 4.916 59 H LYS 10 H LYS 10 -6.876 -2.659 4.244 60 HA LYS 10 HA LYS 10 -8.329 -2.997 2.028 61 1HB LYS 10 1HB LYS 10 -9.960 -4.270 3.359 62 2HB LYS 10 2HB LYS 10 -8.342 -4.469 4.036 63 1HG LYS 10 1HG LYS 10 -8.992 -3.549 5.990 64 2HG LYS 10 2HG LYS 10 -9.639 -2.134 5.165 65 1HD LYS 10 1HD LYS 10 -11.633 -2.932 5.947 66 2HD LYS 10 2HD LYS 10 -11.533 -3.977 4.529 67 1HE LYS 10 1HE LYS 10 -10.297 -4.789 7.171 68 2HE LYS 10 2HE LYS 10 -11.992 -5.148 6.782 69 1HZ LYS 10 1HZ LYS 10 -10.964 -5.924 4.543 70 2HZ LYS 10 2HZ LYS 10 -10.890 -6.959 5.888 71 3HZ LYS 10 3HZ LYS 10 -9.526 -6.053 5.434 72 H THR 11 H THR 11 -8.915 -0.817 1.155 73 HA THR 11 HA THR 11 -11.671 -0.138 1.745 74 HB THR 11 HB THR 11 -9.785 0.648 3.588 75 HG1 THR 11 1HG THR 11 -11.460 1.911 4.381 76 1HG2 THR 11 1HG2 THR 11 -10.209 2.948 1.642 77 2HG2 THR 11 2HG2 THR 11 -8.689 2.324 2.294 78 3HG2 THR 11 3HG2 THR 11 -9.799 3.209 3.340 79 H THR 12 H THR 12 -8.654 1.508 0.704 80 HA THR 12 HA THR 12 -9.530 3.505 -0.841 81 HB THR 12 HB THR 12 -7.204 2.385 -0.472 82 HG1 THR 12 1HG THR 12 -8.068 3.916 -2.671 83 1HG2 THR 12 1HG2 THR 12 -7.909 1.420 -3.222 84 2HG2 THR 12 2HG2 THR 12 -7.684 0.400 -1.801 85 3HG2 THR 12 3HG2 THR 12 -6.327 1.300 -2.465 86 H LYS 13 H LYS 13 -9.222 0.313 -2.616 87 HA LYS 13 HA LYS 13 -10.787 1.254 -4.788 88 1HB LYS 13 1HB LYS 13 -10.655 -1.017 -5.468 89 2HB LYS 13 2HB LYS 13 -9.223 -0.741 -4.520 90 1HG LYS 13 1HG LYS 13 -11.720 -1.797 -3.211 91 2HG LYS 13 2HG LYS 13 -10.600 -2.887 -4.025 92 1HD LYS 13 1HD LYS 13 -8.759 -1.759 -2.645 93 2HD LYS 13 2HD LYS 13 -10.070 -1.077 -1.667 94 1HE LYS 13 1HE LYS 13 -9.801 -4.057 -2.219 95 2HE LYS 13 2HE LYS 13 -9.136 -3.269 -0.772 96 1HZ LYS 13 1HZ LYS 13 -11.328 -2.399 -0.279 97 2HZ LYS 13 2HZ LYS 13 -11.420 -4.089 -0.430 98 3HZ LYS 13 3HZ LYS 13 -11.965 -3.089 -1.690 99 H TYR 14 H TYR 14 -11.653 -0.079 -1.649 100 HA TYR 14 HA TYR 14 -14.474 -0.513 -2.252 101 1HB TYR 14 1HB TYR 14 -13.033 -1.577 -0.423 102 2HB TYR 14 2HB TYR 14 -13.124 -0.044 0.442 103 HD1 TYR 14 1HD TYR 14 -14.486 -3.181 0.391 104 HD2 TYR 14 2HD TYR 14 -15.765 0.919 0.278 105 HE1 TYR 14 1HE TYR 14 -16.702 -3.846 1.283 106 HE2 TYR 14 2HE TYR 14 -17.980 0.253 1.168 107 HH TYR 14 HH TYR 14 -18.602 -2.475 2.694 108 H ARG 15 H ARG 15 -12.506 2.005 -0.812 109 HA ARG 15 HA ARG 15 -14.728 3.925 -0.459 110 1HB ARG 15 1HB ARG 15 -11.975 3.404 0.363 111 2HB ARG 15 2HB ARG 15 -12.190 5.086 -0.094 112 1HG ARG 15 1HG ARG 15 -13.079 5.384 1.977 113 2HG ARG 15 2HG ARG 15 -14.469 4.445 1.418 114 1HD ARG 15 1HD ARG 15 -11.934 3.268 2.609 115 2HD ARG 15 2HD ARG 15 -13.475 3.449 3.475 116 HE ARG 15 HE ARG 15 -13.046 1.698 1.062 117 1HH1 ARG 15 1HH2 ARG 15 -15.800 2.983 1.974 118 2HH1 ARG 15 2HH2 ARG 15 -16.519 1.590 2.710 119 1HH2 ARG 15 1HH1 ARG 15 -13.558 -0.213 2.811 120 2HH2 ARG 15 2HH1 ARG 15 -15.250 -0.220 3.183 121 H ASN 16 H ASN 16 -11.504 4.453 -1.716 122 HA ASN 16 HA ASN 16 -12.104 6.372 -3.713 123 1HB ASN 16 1HB ASN 16 -9.955 4.380 -3.015 124 2HB ASN 16 2HB ASN 16 -9.867 5.166 -4.591 125 1HD2 ASN 16 1HD2 ASN 16 -7.772 5.816 -3.388 126 2HD2 ASN 16 2HD2 ASN 16 -7.840 7.307 -2.565 127 HA PRO 17 HA PRO 17 -13.727 3.238 -6.510 128 1HB PRO 17 1HB PRO 17 -15.133 4.985 -8.099 129 2HB PRO 17 2HB PRO 17 -15.689 4.488 -6.489 130 1HG PRO 17 1HG PRO 17 -14.675 7.072 -7.387 131 2HG PRO 17 2HG PRO 17 -15.510 6.661 -5.885 132 1HD PRO 17 1HD PRO 17 -12.642 6.994 -6.375 133 2HD PRO 17 2HD PRO 17 -13.515 6.897 -4.827 134 H SER 18 H SER 18 -11.553 5.790 -7.280 135 HA SER 18 HA SER 18 -11.218 4.701 -10.057 136 1HB SER 18 1HB SER 18 -11.016 7.427 -8.810 137 2HB SER 18 2HB SER 18 -10.109 7.080 -10.279 138 HG SER 18 HG SER 18 -12.290 7.912 -10.588 139 H LEU 19 H LEU 19 -9.828 3.079 -8.615 140 HA LEU 19 HA LEU 19 -7.027 4.003 -8.875 141 1HB LEU 19 1HB LEU 19 -6.518 3.500 -6.555 142 2HB LEU 19 2HB LEU 19 -7.770 4.708 -6.654 143 HG LEU 19 HG LEU 19 -8.088 2.834 -4.900 144 1HD1 LEU 19 1HD1 LEU 19 -10.240 3.403 -4.935 145 2HD1 LEU 19 2HD1 LEU 19 -10.502 2.816 -6.573 146 3HD1 LEU 19 3HD1 LEU 19 -9.814 4.421 -6.304 147 1HD2 LEU 19 1HD2 LEU 19 -9.121 0.800 -5.587 148 2HD2 LEU 19 2HD2 LEU 19 -7.639 0.915 -6.505 149 3HD2 LEU 19 3HD2 LEU 19 -9.178 1.293 -7.270 150 H LYS 20 H LYS 20 -5.849 1.867 -7.441 151 HA LYS 20 HA LYS 20 -7.096 -0.657 -8.149 152 1HB LYS 20 1HB LYS 20 -6.041 0.482 -10.300 153 2HB LYS 20 2HB LYS 20 -4.536 -0.157 -9.632 154 1HG LYS 20 1HG LYS 20 -5.091 -2.167 -10.515 155 2HG LYS 20 2HG LYS 20 -6.430 -2.230 -9.372 156 1HD LYS 20 1HD LYS 20 -6.804 -0.598 -11.847 157 2HD LYS 20 2HD LYS 20 -6.835 -2.354 -12.016 158 1HE LYS 20 1HE LYS 20 -8.658 -2.547 -10.445 159 2HE LYS 20 2HE LYS 20 -8.506 -0.842 -9.975 160 1HZ LYS 20 1HZ LYS 20 -10.212 -1.563 -11.807 161 2HZ LYS 20 2HZ LYS 20 -8.844 -1.539 -12.815 162 3HZ LYS 20 3HZ LYS 20 -9.321 -0.132 -11.990 163 H LEU 21 H LEU 21 -4.167 -1.711 -8.527 164 HA LEU 21 HA LEU 21 -3.262 -1.320 -5.699 165 1HB LEU 21 1HB LEU 21 -4.664 -3.586 -6.853 166 2HB LEU 21 2HB LEU 21 -3.088 -4.078 -6.233 167 HG LEU 21 HG LEU 21 -3.656 -2.907 -4.076 168 1HD1 LEU 21 1HD1 LEU 21 -5.382 -1.420 -4.264 169 2HD1 LEU 21 2HD1 LEU 21 -6.407 -2.840 -4.061 170 3HD1 LEU 21 3HD1 LEU 21 -6.046 -2.239 -5.677 171 1HD2 LEU 21 1HD2 LEU 21 -4.760 -4.774 -3.233 172 2HD2 LEU 21 2HD2 LEU 21 -4.129 -5.413 -4.751 173 3HD2 LEU 21 3HD2 LEU 21 -5.815 -4.910 -4.639 174 H MET 22 H MET 22 -1.040 -1.275 -5.562 175 HA MET 22 HA MET 22 0.493 -2.038 -7.996 176 1HB MET 22 1HB MET 22 1.984 -0.700 -5.860 177 2HB MET 22 2HB MET 22 1.801 -0.230 -7.538 178 1HG MET 22 1HG MET 22 -0.356 0.822 -7.051 179 2HG MET 22 2HG MET 22 -0.251 0.300 -5.373 180 1HE MET 22 1HE MET 22 0.336 3.933 -4.638 181 2HE MET 22 2HE MET 22 -0.333 2.401 -4.083 182 3HE MET 22 3HE MET 22 -0.882 3.093 -5.608 183 H VAL 23 H VAL 23 2.727 -3.012 -7.460 184 HA VAL 23 HA VAL 23 2.448 -4.907 -5.150 185 HB VAL 23 HB VAL 23 3.173 -5.254 -8.044 186 1HG1 VAL 23 1HG1 VAL 23 3.918 -7.220 -5.859 187 2HG1 VAL 23 2HG1 VAL 23 5.074 -6.168 -6.677 188 3HG1 VAL 23 3HG1 VAL 23 4.206 -7.403 -7.589 189 1HG2 VAL 23 1HG2 VAL 23 1.147 -6.235 -7.977 190 2HG2 VAL 23 2HG2 VAL 23 1.077 -6.054 -6.224 191 3HG2 VAL 23 3HG2 VAL 23 1.834 -7.480 -6.934 192 H ASN 24 H ASN 24 4.586 -5.731 -4.369 193 HA ASN 24 HA ASN 24 6.690 -3.614 -4.610 194 1HB ASN 24 1HB ASN 24 5.693 -5.456 -2.471 195 2HB ASN 24 2HB ASN 24 7.380 -4.942 -2.411 196 1HD2 ASN 24 1HD2 ASN 24 4.214 -3.344 -3.152 197 2HD2 ASN 24 2HD2 ASN 24 4.509 -1.986 -2.177 198 H VAL 25 H VAL 25 8.961 -4.621 -4.123 199 HA VAL 25 HA VAL 25 9.840 -6.227 -6.209 200 HB VAL 25 HB VAL 25 11.460 -5.133 -4.914 201 1HG1 VAL 25 1HG1 VAL 25 9.678 -5.741 -2.747 202 2HG1 VAL 25 2HG1 VAL 25 11.015 -4.594 -2.782 203 3HG1 VAL 25 3HG1 VAL 25 11.301 -6.268 -2.310 204 1HG2 VAL 25 1HG2 VAL 25 11.980 -7.592 -5.454 205 2HG2 VAL 25 2HG2 VAL 25 11.681 -7.904 -3.744 206 3HG2 VAL 25 3HG2 VAL 25 12.980 -6.812 -4.227 207 H CYS 26 H CYS 26 9.465 -7.571 -2.877 208 HA CYS 26 HA CYS 26 9.662 -10.279 -3.444 209 1HB CYS 26 1HB CYS 26 8.024 -10.526 -1.518 210 2HB CYS 26 2HB CYS 26 9.353 -9.409 -1.197 211 H GLY 27 H GLY 27 7.019 -8.107 -4.239 212 1HA GLY 27 1HA GLY 27 5.382 -8.479 -5.934 213 2HA GLY 27 2HA GLY 27 5.849 -10.179 -5.978 214 H HIS 28 H HIS 28 4.047 -7.765 -4.074 215 HA HIS 28 HA HIS 28 2.346 -10.019 -3.095 216 1HB HIS 28 1HB HIS 28 3.966 -8.032 -1.606 217 2HB HIS 28 2HB HIS 28 2.342 -8.316 -0.973 218 HD2 HIS 28 2HD HIS 28 2.299 -11.577 -1.841 219 HE1 HIS 28 1HE HIS 28 5.500 -11.859 0.884 220 HE2 HIS 28 2HE HIS 28 3.743 -13.174 -0.378 221 H THR 29 H THR 29 1.749 -6.839 -1.830 222 HA THR 29 HA THR 29 -0.023 -5.975 -3.986 223 HB THR 29 HB THR 29 -1.069 -7.363 -1.509 224 HG1 THR 29 1HG THR 29 -1.357 -7.726 -4.301 225 1HG2 THR 29 1HG2 THR 29 -2.241 -5.153 -2.039 226 2HG2 THR 29 2HG2 THR 29 -3.271 -6.584 -2.030 227 3HG2 THR 29 3HG2 THR 29 -2.737 -5.892 -3.562 228 H LEU 30 H LEU 30 -0.303 -3.812 -3.779 229 HA LEU 30 HA LEU 30 -0.305 -2.526 -1.082 230 1HB LEU 30 1HB LEU 30 1.981 -2.721 -2.348 231 2HB LEU 30 2HB LEU 30 1.340 -1.447 -3.364 232 HG LEU 30 HG LEU 30 0.839 -0.312 -1.020 233 1HD1 LEU 30 1HD1 LEU 30 2.865 -2.439 -0.460 234 2HD1 LEU 30 2HD1 LEU 30 1.518 -1.896 0.540 235 3HD1 LEU 30 3HD1 LEU 30 2.963 -0.901 0.389 236 1HD2 LEU 30 1HD2 LEU 30 2.643 1.031 -1.458 237 2HD2 LEU 30 2HD2 LEU 30 2.557 0.166 -2.992 238 3HD2 LEU 30 3HD2 LEU 30 3.716 -0.330 -1.760 239 H CYS 31 H CYS 31 -2.558 -1.982 -1.491 240 HA CYS 31 HA CYS 31 -3.624 -1.016 -3.907 241 1HB CYS 31 1HB CYS 31 -5.486 -0.538 -2.632 242 2HB CYS 31 2HB CYS 31 -4.639 -1.563 -1.508 243 H GLU 32 H GLU 32 -4.646 1.365 -3.692 244 HA GLU 32 HA GLU 32 -2.415 3.166 -4.259 245 1HB GLU 32 1HB GLU 32 -4.504 4.865 -4.093 246 2HB GLU 32 2HB GLU 32 -4.293 3.797 -5.473 247 1HG GLU 32 1HG GLU 32 -5.851 2.859 -3.126 248 2HG GLU 32 2HG GLU 32 -6.609 3.884 -4.341 249 H SER 33 H SER 33 -4.832 2.911 -1.688 250 HA SER 33 HA SER 33 -3.743 4.965 0.011 251 1HB SER 33 1HB SER 33 -5.599 2.602 0.479 252 2HB SER 33 2HB SER 33 -5.355 3.925 1.622 253 HG SER 33 HG SER 33 -6.246 5.346 0.227 254 H CYS 34 H CYS 34 -2.308 1.967 -0.735 255 HA CYS 34 HA CYS 34 -1.430 1.432 2.063 256 1HB CYS 34 1HB CYS 34 -1.058 0.115 -0.631 257 2HB CYS 34 2HB CYS 34 0.091 -0.211 0.667 258 H VAL 35 H VAL 35 0.149 2.069 -1.068 259 HA VAL 35 HA VAL 35 2.754 2.612 -0.407 260 HB VAL 35 HB VAL 35 0.764 3.496 -2.384 261 1HG1 VAL 35 1HG1 VAL 35 1.336 5.738 -1.959 262 2HG1 VAL 35 2HG1 VAL 35 2.421 5.281 -3.272 263 3HG1 VAL 35 3HG1 VAL 35 3.019 5.336 -1.613 264 1HG2 VAL 35 1HG2 VAL 35 3.530 2.435 -2.289 265 2HG2 VAL 35 2HG2 VAL 35 3.095 3.377 -3.715 266 3HG2 VAL 35 3HG2 VAL 35 2.164 1.943 -3.291 267 H ASP 36 H ASP 36 0.083 4.971 -0.176 268 HA ASP 36 HA ASP 36 1.489 7.193 0.800 269 1HB ASP 36 1HB ASP 36 -0.787 7.781 1.749 270 2HB ASP 36 2HB ASP 36 -0.802 7.274 0.062 271 H LEU 37 H LEU 37 -0.183 4.748 2.936 272 HA LEU 37 HA LEU 37 1.133 5.980 5.275 273 1HB LEU 37 1HB LEU 37 -0.904 3.824 4.758 274 2HB LEU 37 2HB LEU 37 -0.222 4.048 6.369 275 HG LEU 37 HG LEU 37 -2.271 5.349 6.200 276 1HD1 LEU 37 1HD1 LEU 37 -1.434 7.360 7.030 277 2HD1 LEU 37 2HD1 LEU 37 -0.128 7.422 5.847 278 3HD1 LEU 37 3HD1 LEU 37 -0.033 6.304 7.209 279 1HD2 LEU 37 1HD2 LEU 37 -2.624 7.005 4.480 280 2HD2 LEU 37 2HD2 LEU 37 -2.168 5.504 3.674 281 3HD2 LEU 37 3HD2 LEU 37 -0.983 6.796 3.868 282 H LEU 38 H LEU 38 1.234 2.892 3.556 283 HA LEU 38 HA LEU 38 2.758 1.260 5.171 284 1HB LEU 38 1HB LEU 38 1.771 0.872 2.885 285 2HB LEU 38 2HB LEU 38 3.140 1.727 2.200 286 HG LEU 38 HG LEU 38 3.754 -0.534 1.997 287 1HD1 LEU 38 1HD1 LEU 38 5.500 0.840 3.177 288 2HD1 LEU 38 2HD1 LEU 38 5.610 -0.893 3.482 289 3HD1 LEU 38 3HD1 LEU 38 4.910 0.174 4.699 290 1HD2 LEU 38 1HD2 LEU 38 3.489 -2.165 3.869 291 2HD2 LEU 38 2HD2 LEU 38 1.956 -1.510 3.295 292 3HD2 LEU 38 3HD2 LEU 38 2.665 -0.912 4.794 293 H PHE 39 H PHE 39 4.223 3.425 2.727 294 HA PHE 39 HA PHE 39 6.862 3.015 3.934 295 1HB PHE 39 1HB PHE 39 5.917 4.606 1.546 296 2HB PHE 39 2HB PHE 39 7.584 4.114 1.871 297 HD1 PHE 39 1HD PHE 39 4.209 2.986 0.938 298 HD2 PHE 39 2HD PHE 39 8.245 1.740 1.703 299 HE1 PHE 39 1HE PHE 39 3.693 0.755 0.023 300 HE2 PHE 39 2HE PHE 39 7.728 -0.500 0.763 301 HZ PHE 39 HZ PHE 39 5.439 -0.994 -0.077 302 H VAL 40 H VAL 40 4.478 5.648 3.959 303 HA VAL 40 HA VAL 40 6.323 7.768 4.563 304 HB VAL 40 HB VAL 40 4.306 8.783 5.704 305 1HG1 VAL 40 1HG1 VAL 40 2.915 8.751 3.576 306 2HG1 VAL 40 2HG1 VAL 40 4.082 7.594 2.937 307 3HG1 VAL 40 3HG1 VAL 40 4.603 9.220 3.378 308 1HG2 VAL 40 1HG2 VAL 40 3.047 6.144 4.907 309 2HG2 VAL 40 2HG2 VAL 40 2.187 7.542 5.544 310 3HG2 VAL 40 3HG2 VAL 40 3.349 6.686 6.556 311 H ARG 41 H ARG 41 5.207 5.072 6.446 312 HA ARG 41 HA ARG 41 5.799 6.147 9.074 313 1HB ARG 41 1HB ARG 41 5.921 3.235 8.282 314 2HB ARG 41 2HB ARG 41 5.329 3.937 9.785 315 1HG ARG 41 1HG ARG 41 3.766 5.024 7.658 316 2HG ARG 41 2HG ARG 41 3.848 3.278 7.424 317 1HD ARG 41 1HD ARG 41 3.452 3.590 10.185 318 2HD ARG 41 2HD ARG 41 2.377 4.788 9.435 319 HE ARG 41 HE ARG 41 1.317 2.974 8.200 320 1HH1 ARG 41 1HH1 ARG 41 1.216 1.800 10.925 321 2HH1 ARG 41 2HH1 ARG 41 1.909 0.230 10.686 322 1HH2 ARG 41 1HH2 ARG 41 3.342 1.034 7.633 323 2HH2 ARG 41 2HH2 ARG 41 3.112 -0.204 8.824 324 H GLY 42 H GLY 42 7.478 3.558 7.275 325 1HA GLY 42 1HA GLY 42 10.077 4.758 8.106 326 2HA GLY 42 2HA GLY 42 9.771 3.044 8.395 327 H ALA 43 H ALA 43 8.205 3.999 5.564 328 HA ALA 43 HA ALA 43 8.635 3.304 3.327 329 1HB ALA 43 1HB ALA 43 9.760 5.520 3.674 330 2HB ALA 43 2HB ALA 43 10.563 4.528 2.454 331 3HB ALA 43 3HB ALA 43 11.247 4.660 4.075 332 H GLY 44 H GLY 44 8.928 1.045 4.732 333 1HA GLY 44 1HA GLY 44 10.768 -0.543 3.314 334 2HA GLY 44 2HA GLY 44 11.575 -0.074 4.810 335 H ASN 45 H ASN 45 8.434 -1.396 3.694 336 HA ASN 45 HA ASN 45 8.575 -3.677 5.453 337 1HB ASN 45 1HB ASN 45 7.514 -1.115 6.440 338 2HB ASN 45 2HB ASN 45 6.446 -2.488 6.721 339 1HD2 ASN 45 1HD2 ASN 45 7.784 -4.537 7.574 340 2HD2 ASN 45 2HD2 ASN 45 8.921 -4.195 8.787 341 H CYS 46 H CYS 46 7.863 -4.570 3.399 342 HA CYS 46 HA CYS 46 5.762 -4.003 1.737 343 1HB CYS 46 1HB CYS 46 7.227 -5.970 1.613 344 2HB CYS 46 2HB CYS 46 6.452 -6.654 3.036 345 HA PRO 47 HA PRO 47 2.086 -3.731 4.129 346 1HB PRO 47 1HB PRO 47 0.291 -4.520 2.190 347 2HB PRO 47 2HB PRO 47 1.066 -2.932 2.230 348 1HG PRO 47 1HG PRO 47 1.888 -5.389 0.720 349 2HG PRO 47 2HG PRO 47 1.658 -3.740 0.115 350 1HD PRO 47 1HD PRO 47 4.094 -4.625 0.693 351 2HD PRO 47 2HD PRO 47 3.626 -2.978 1.160 352 H GLU 48 H GLU 48 3.386 -6.668 2.990 353 HA GLU 48 HA GLU 48 1.524 -8.155 4.788 354 1HB GLU 48 1HB GLU 48 0.923 -9.676 3.127 355 2HB GLU 48 2HB GLU 48 1.011 -8.163 2.230 356 1HG GLU 48 1HG GLU 48 2.317 -9.415 0.836 357 2HG GLU 48 2HG GLU 48 3.577 -8.981 1.988 358 H CYS 49 H CYS 49 4.742 -8.181 3.167 359 HA CYS 49 HA CYS 49 5.531 -10.246 5.194 360 1HB CYS 49 1HB CYS 49 6.803 -11.341 3.557 361 2HB CYS 49 2HB CYS 49 5.393 -10.809 2.651 362 H GLY 50 H GLY 50 5.749 -7.109 4.904 363 1HA GLY 50 1HA GLY 50 7.430 -5.458 5.223 364 2HA GLY 50 2HA GLY 50 7.765 -6.500 6.603 365 H THR 51 H THR 51 8.453 -6.458 3.077 366 HA THR 51 HA THR 51 10.999 -7.857 3.537 367 HB THR 51 HB THR 51 9.107 -7.698 1.525 368 HG1 THR 51 1HG THR 51 10.860 -8.801 0.313 369 1HG2 THR 51 1HG2 THR 51 9.806 -5.600 0.624 370 2HG2 THR 51 2HG2 THR 51 10.466 -6.833 -0.449 371 3HG2 THR 51 3HG2 THR 51 11.511 -6.040 0.728 372 HA PRO 52 HA PRO 52 13.643 -4.364 3.575 373 1HB PRO 52 1HB PRO 52 15.515 -4.830 1.626 374 2HB PRO 52 2HB PRO 52 15.473 -5.708 3.169 375 1HG PRO 52 1HG PRO 52 14.486 -6.527 0.473 376 2HG PRO 52 2HG PRO 52 15.321 -7.486 1.706 377 1HD PRO 52 1HD PRO 52 12.628 -7.579 1.277 378 2HD PRO 52 2HD PRO 52 13.377 -7.915 2.853 379 H LEU 53 H LEU 53 11.929 -2.898 2.783 380 HA LEU 53 HA LEU 53 12.218 -2.110 -0.092 381 1HB LEU 53 1HB LEU 53 10.029 -1.571 1.943 382 2HB LEU 53 2HB LEU 53 9.968 -1.158 0.230 383 HG LEU 53 HG LEU 53 10.208 -3.957 1.377 384 1HD1 LEU 53 1HD1 LEU 53 7.943 -2.307 0.304 385 2HD1 LEU 53 2HD1 LEU 53 7.964 -3.414 1.676 386 3HD1 LEU 53 3HD1 LEU 53 7.934 -4.049 0.032 387 1HD2 LEU 53 1HD2 LEU 53 10.612 -2.804 -1.310 388 2HD2 LEU 53 2HD2 LEU 53 9.522 -4.190 -1.271 389 3HD2 LEU 53 3HD2 LEU 53 11.166 -4.344 -0.652 390 H ARG 54 H ARG 54 14.308 -1.058 1.035 391 HA ARG 54 HA ARG 54 13.750 1.431 2.505 392 1HB ARG 54 1HB ARG 54 15.735 -0.260 2.689 393 2HB ARG 54 2HB ARG 54 16.378 0.598 1.287 394 1HG ARG 54 1HG ARG 54 17.285 1.641 3.273 395 2HG ARG 54 2HG ARG 54 16.095 2.746 2.584 396 1HD ARG 54 1HD ARG 54 15.177 2.763 4.678 397 2HD ARG 54 2HD ARG 54 14.573 1.141 4.281 398 HE ARG 54 HE ARG 54 17.288 1.559 5.489 399 1HH1 ARG 54 1HH1 ARG 54 14.340 1.022 6.743 400 2HH1 ARG 54 2HH1 ARG 54 14.630 -0.581 7.331 401 1HH2 ARG 54 1HH2 ARG 54 17.624 -0.952 5.623 402 2HH2 ARG 54 2HH2 ARG 54 16.489 -1.699 6.697 403 H LYS 55 H LYS 55 12.523 1.378 -0.091 404 HA LYS 55 HA LYS 55 13.656 3.828 -1.225 405 1HB LYS 55 1HB LYS 55 14.348 2.870 -3.317 406 2HB LYS 55 2HB LYS 55 15.055 1.858 -2.057 407 1HG LYS 55 1HG LYS 55 12.430 1.262 -3.457 408 2HG LYS 55 2HG LYS 55 13.978 0.538 -3.898 409 1HD LYS 55 1HD LYS 55 14.052 -0.043 -1.307 410 2HD LYS 55 2HD LYS 55 12.301 0.105 -1.453 411 1HE LYS 55 1HE LYS 55 12.147 -1.865 -2.593 412 2HE LYS 55 2HE LYS 55 13.524 -1.454 -3.634 413 1HZ LYS 55 1HZ LYS 55 15.015 -2.278 -2.123 414 2HZ LYS 55 2HZ LYS 55 13.709 -3.314 -1.795 415 3HZ LYS 55 3HZ LYS 55 14.014 -1.979 -0.788 416 H SER 56 H SER 56 11.045 2.504 -0.226 417 HA SER 56 HA SER 56 8.765 2.392 -0.890 418 1HB SER 56 1HB SER 56 8.561 4.622 -2.502 419 2HB SER 56 2HB SER 56 8.579 4.658 -0.741 420 HG SER 56 HG SER 56 10.724 5.055 -2.522 421 H ASN 57 H ASN 57 8.745 0.501 -2.265 422 HA ASN 57 HA ASN 57 8.972 1.094 -5.198 423 1HB ASN 57 1HB ASN 57 10.021 -0.987 -5.453 424 2HB ASN 57 2HB ASN 57 10.607 -0.496 -3.866 425 1HD2 ASN 57 1HD2 ASN 57 9.113 -1.304 -1.970 426 2HD2 ASN 57 2HD2 ASN 57 8.482 -2.870 -2.131 427 H PHE 58 H PHE 58 7.016 0.973 -6.238 428 HA PHE 58 HA PHE 58 5.066 -1.109 -5.394 429 1HB PHE 58 1HB PHE 58 3.816 1.505 -5.933 430 2HB PHE 58 2HB PHE 58 3.480 0.356 -4.643 431 HD1 PHE 58 1HD PHE 58 5.189 0.200 -2.718 432 HD2 PHE 58 2HD PHE 58 4.969 3.500 -5.452 433 HE1 PHE 58 1HE PHE 58 6.350 1.638 -1.080 434 HE2 PHE 58 2HE PHE 58 6.146 4.938 -3.810 435 HZ PHE 58 HZ PHE 58 6.835 4.002 -1.618 436 H ARG 59 H ARG 59 4.672 -2.160 -7.292 437 HA ARG 59 HA ARG 59 4.785 -0.657 -9.857 438 1HB ARG 59 1HB ARG 59 3.992 -3.303 -10.377 439 2HB ARG 59 2HB ARG 59 5.622 -2.662 -10.520 440 1HG ARG 59 1HG ARG 59 6.102 -3.298 -8.194 441 2HG ARG 59 2HG ARG 59 4.455 -3.898 -8.007 442 1HD ARG 59 1HD ARG 59 5.871 -5.810 -8.498 443 2HD ARG 59 2HD ARG 59 4.940 -5.469 -9.970 444 HE ARG 59 HE ARG 59 6.939 -4.578 -10.966 445 1HH1 ARG 59 1HH2 ARG 59 7.294 -4.632 -7.573 446 2HH1 ARG 59 2HH2 ARG 59 9.014 -4.820 -7.606 447 1HH2 ARG 59 1HH1 ARG 59 9.180 -5.144 -11.054 448 2HH2 ARG 59 2HH1 ARG 59 10.083 -5.111 -9.577 449 H VAL 60 H VAL 60 2.916 0.606 -9.731 450 HA VAL 60 HA VAL 60 0.338 -0.585 -9.002 451 HB VAL 60 HB VAL 60 0.898 1.621 -8.244 452 1HG1 VAL 60 1HG1 VAL 60 1.806 1.902 -11.036 453 2HG1 VAL 60 2HG1 VAL 60 2.398 2.695 -9.576 454 3HG1 VAL 60 3HG1 VAL 60 0.966 3.315 -10.396 455 1HG2 VAL 60 1HG2 VAL 60 -0.988 2.231 -10.495 456 2HG2 VAL 60 2HG2 VAL 60 -1.091 2.697 -8.798 457 3HG2 VAL 60 3HG2 VAL 60 -1.464 1.043 -9.282 458 H GLN 61 H GLN 61 -1.261 -1.151 -10.321 459 HA GLN 61 HA GLN 61 -1.043 -0.559 -13.249 460 1HB GLN 61 1HB GLN 61 -2.207 -2.864 -13.417 461 2HB GLN 61 2HB GLN 61 -0.504 -2.873 -12.962 462 1HG GLN 61 1HG GLN 61 -0.949 -3.635 -10.863 463 2HG GLN 61 2HG GLN 61 -2.377 -2.611 -10.694 464 1HE2 GLN 61 1HE2 GLN 61 -4.016 -4.107 -10.172 465 2HE2 GLN 61 2HE2 GLN 61 -4.382 -5.483 -11.096 466 H LEU 62 H LEU 62 -2.864 0.528 -13.941 467 HA LEU 62 HA LEU 62 -5.288 0.423 -12.178 468 1HB LEU 62 1HB LEU 62 -3.619 2.533 -12.963 469 2HB LEU 62 2HB LEU 62 -5.057 2.712 -13.966 470 HG LEU 62 HG LEU 62 -5.417 3.942 -11.914 471 1HD1 LEU 62 1HD1 LEU 62 -7.305 2.484 -10.890 472 2HD1 LEU 62 2HD1 LEU 62 -6.900 1.329 -12.157 473 3HD1 LEU 62 3HD1 LEU 62 -7.445 2.950 -12.584 474 1HD2 LEU 62 1HD2 LEU 62 -3.943 3.097 -10.317 475 2HD2 LEU 62 2HD2 LEU 62 -4.348 1.420 -10.682 476 3HD2 LEU 62 3HD2 LEU 62 -5.467 2.415 -9.753 477 H PHE 63 H PHE 63 -4.529 -1.257 -14.621 478 HA PHE 63 HA PHE 63 -7.058 -0.762 -16.130 479 1HB PHE 63 1HB PHE 63 -4.964 0.311 -17.160 480 2HB PHE 63 2HB PHE 63 -4.397 -1.333 -17.455 481 HD1 PHE 63 1HD PHE 63 -6.835 1.244 -18.391 482 HD2 PHE 63 2HD PHE 63 -5.598 -2.822 -19.009 483 HE1 PHE 63 1HE PHE 63 -8.237 1.129 -20.433 484 HE2 PHE 63 2HE PHE 63 -7.001 -2.939 -21.052 485 HZ PHE 63 HZ PHE 63 -8.321 -0.963 -21.764 486 H GLU 64 H GLU 64 -7.726 -2.716 -14.896 487 HA GLU 64 HA GLU 64 -6.295 -5.239 -15.446 488 1HB GLU 64 1HB GLU 64 -7.483 -4.428 -13.275 489 2HB GLU 64 2HB GLU 64 -8.973 -4.896 -14.095 490 1HG GLU 64 1HG GLU 64 -8.413 -7.155 -14.101 491 2HG GLU 64 2HG GLU 64 -6.680 -6.830 -14.032 492 H ASP 65 H ASP 65 -8.098 -3.448 -17.399 493 HA ASP 65 HA ASP 65 -9.720 -3.860 -19.088 494 1HB ASP 65 1HB ASP 65 -8.885 -5.564 -20.539 495 2HB ASP 65 2HB ASP 65 -7.475 -4.965 -19.666 Start of MODEL 4 1 1H MET 1 1HT MET 1 -10.417 -7.626 -7.959 2 2H MET 1 2HT MET 1 -9.821 -7.078 -9.452 3 3H MET 1 3HT MET 1 -11.468 -7.458 -9.279 4 HA MET 1 HA MET 1 -10.018 -5.056 -8.460 5 1HB MET 1 1HB MET 1 -12.872 -5.685 -9.280 6 2HB MET 1 2HB MET 1 -12.113 -4.092 -9.259 7 1HG MET 1 1HG MET 1 -11.473 -4.458 -11.390 8 2HG MET 1 2HG MET 1 -10.398 -5.719 -10.787 9 1HE MET 1 1HE MET 1 -12.215 -5.055 -13.435 10 2HE MET 1 2HE MET 1 -13.765 -4.889 -12.613 11 3HE MET 1 3HE MET 1 -13.514 -6.215 -13.747 12 H ASP 2 H ASP 2 -10.139 -4.283 -6.390 13 HA ASP 2 HA ASP 2 -10.812 -4.076 -4.134 14 1HB ASP 2 1HB ASP 2 -13.493 -4.915 -5.278 15 2HB ASP 2 2HB ASP 2 -13.203 -3.883 -3.876 16 H ASP 3 H ASP 3 -12.689 -5.531 -2.647 17 HA ASP 3 HA ASP 3 -12.887 -7.573 -1.472 18 1HB ASP 3 1HB ASP 3 -13.151 -7.976 -4.286 19 2HB ASP 3 2HB ASP 3 -12.267 -9.355 -3.632 20 H GLN 4 H GLN 4 -11.178 -7.888 -0.067 21 HA GLN 4 HA GLN 4 -9.110 -8.732 0.717 22 1HB GLN 4 1HB GLN 4 -9.985 -10.572 -0.892 23 2HB GLN 4 2HB GLN 4 -8.806 -9.933 -2.038 24 1HG GLN 4 1HG GLN 4 -7.201 -10.135 0.094 25 2HG GLN 4 2HG GLN 4 -8.367 -11.383 0.537 26 1HE2 GLN 4 1HE2 GLN 4 -8.861 -11.843 -2.482 27 2HE2 GLN 4 2HE2 GLN 4 -7.538 -12.788 -2.970 28 H GLY 5 H GLY 5 -9.467 -6.356 -1.425 29 1HA GLY 5 1HA GLY 5 -6.843 -6.124 -2.618 30 2HA GLY 5 2HA GLY 5 -8.034 -4.829 -2.493 31 H CYS 6 H CYS 6 -7.180 -3.146 -1.382 32 HA CYS 6 HA CYS 6 -4.914 -2.849 0.056 33 1HB CYS 6 1HB CYS 6 -6.327 -0.978 -0.241 34 2HB CYS 6 2HB CYS 6 -7.696 -1.773 0.504 35 HA PRO 7 HA PRO 7 -5.541 -5.523 3.607 36 1HB PRO 7 1HB PRO 7 -2.887 -5.706 4.226 37 2HB PRO 7 2HB PRO 7 -3.637 -6.645 2.922 38 1HG PRO 7 1HG PRO 7 -1.820 -4.344 2.786 39 2HG PRO 7 2HG PRO 7 -2.167 -5.577 1.570 40 1HD PRO 7 1HD PRO 7 -3.191 -2.902 1.736 41 2HD PRO 7 2HD PRO 7 -3.538 -4.134 0.507 42 H ARG 8 H ARG 8 -3.741 -2.472 3.463 43 HA ARG 8 HA ARG 8 -3.641 -2.191 6.405 44 1HB ARG 8 1HB ARG 8 -2.001 -1.464 4.383 45 2HB ARG 8 2HB ARG 8 -2.925 0.030 4.542 46 1HG ARG 8 1HG ARG 8 -2.003 0.527 6.561 47 2HG ARG 8 2HG ARG 8 -2.019 -1.156 7.094 48 1HD ARG 8 1HD ARG 8 -0.160 -0.657 4.859 49 2HD ARG 8 2HD ARG 8 0.253 0.225 6.345 50 HE ARG 8 HE ARG 8 0.515 -2.602 6.001 51 1HH1 ARG 8 1HH1 ARG 8 0.850 -0.278 8.297 52 2HH1 ARG 8 2HH1 ARG 8 0.368 -1.245 9.650 53 1HH2 ARG 8 1HH2 ARG 8 -0.800 -3.864 7.700 54 2HH2 ARG 8 2HH2 ARG 8 -0.566 -3.275 9.312 55 H CYS 9 H CYS 9 -4.764 0.088 3.870 56 HA CYS 9 HA CYS 9 -6.794 1.126 5.801 57 1HB CYS 9 1HB CYS 9 -6.997 2.595 3.422 58 2HB CYS 9 2HB CYS 9 -6.146 3.081 4.875 59 H LYS 10 H LYS 10 -7.429 -1.427 4.833 60 HA LYS 10 HA LYS 10 -8.757 -2.038 2.599 61 1HB LYS 10 1HB LYS 10 -10.219 -3.403 3.922 62 2HB LYS 10 2HB LYS 10 -8.712 -3.248 4.823 63 1HG LYS 10 1HG LYS 10 -9.960 -1.145 5.865 64 2HG LYS 10 2HG LYS 10 -11.396 -2.049 5.380 65 1HD LYS 10 1HD LYS 10 -9.440 -3.785 6.655 66 2HD LYS 10 2HD LYS 10 -9.877 -2.440 7.710 67 1HE LYS 10 1HE LYS 10 -11.911 -3.365 8.116 68 2HE LYS 10 2HE LYS 10 -12.230 -3.530 6.377 69 1HZ LYS 10 1HZ LYS 10 -12.074 -5.707 7.414 70 2HZ LYS 10 2HZ LYS 10 -10.546 -5.330 8.052 71 3HZ LYS 10 3HZ LYS 10 -10.755 -5.478 6.373 72 H THR 11 H THR 11 -9.447 -0.029 1.486 73 HA THR 11 HA THR 11 -12.296 0.497 1.896 74 HB THR 11 HB THR 11 -10.868 1.728 3.705 75 HG1 THR 11 1HG THR 11 -12.514 3.027 3.836 76 1HG2 THR 11 1HG2 THR 11 -10.398 3.513 1.291 77 2HG2 THR 11 2HG2 THR 11 -9.156 2.603 2.156 78 3HG2 THR 11 3HG2 THR 11 -10.004 3.924 2.962 79 H THR 12 H THR 12 -9.289 1.763 0.553 80 HA THR 12 HA THR 12 -10.102 3.447 -1.450 81 HB THR 12 HB THR 12 -7.951 2.557 -2.514 82 HG1 THR 12 1HG THR 12 -7.043 0.875 -1.603 83 1HG2 THR 12 1HG2 THR 12 -7.275 3.009 0.274 84 2HG2 THR 12 2HG2 THR 12 -8.536 4.110 -0.283 85 3HG2 THR 12 3HG2 THR 12 -6.987 4.047 -1.123 86 H LYS 13 H LYS 13 -8.727 0.713 -3.022 87 HA LYS 13 HA LYS 13 -10.182 0.666 -5.299 88 1HB LYS 13 1HB LYS 13 -9.309 -1.509 -5.555 89 2HB LYS 13 2HB LYS 13 -8.256 -0.784 -4.353 90 1HG LYS 13 1HG LYS 13 -10.698 -2.366 -3.556 91 2HG LYS 13 2HG LYS 13 -9.141 -3.139 -3.839 92 1HD LYS 13 1HD LYS 13 -8.102 -1.736 -2.139 93 2HD LYS 13 2HD LYS 13 -9.612 -0.855 -1.902 94 1HE LYS 13 1HE LYS 13 -10.579 -3.301 -1.464 95 2HE LYS 13 2HE LYS 13 -8.893 -3.639 -1.036 96 1HZ LYS 13 1HZ LYS 13 -9.410 -1.184 0.055 97 2HZ LYS 13 2HZ LYS 13 -9.365 -2.654 0.904 98 3HZ LYS 13 3HZ LYS 13 -10.845 -2.042 0.336 99 H TYR 14 H TYR 14 -11.360 -0.450 -2.164 100 HA TYR 14 HA TYR 14 -13.742 -1.738 -3.229 101 1HB TYR 14 1HB TYR 14 -12.508 -2.126 -1.000 102 2HB TYR 14 2HB TYR 14 -13.297 -0.659 -0.434 103 HD1 TYR 14 1HD TYR 14 -13.554 -4.053 -0.253 104 HD2 TYR 14 2HD TYR 14 -15.956 -0.670 -1.368 105 HE1 TYR 14 1HE TYR 14 -15.611 -5.360 0.209 106 HE2 TYR 14 2HE TYR 14 -18.012 -1.978 -0.905 107 HH TYR 14 HH TYR 14 -18.555 -4.603 -0.891 108 H ARG 15 H ARG 15 -13.036 1.386 -1.650 109 HA ARG 15 HA ARG 15 -15.727 2.418 -2.346 110 1HB ARG 15 1HB ARG 15 -13.419 3.167 -0.624 111 2HB ARG 15 2HB ARG 15 -14.368 4.500 -1.258 112 1HG ARG 15 1HG ARG 15 -15.873 4.098 0.376 113 2HG ARG 15 2HG ARG 15 -16.237 2.563 -0.415 114 1HD ARG 15 1HD ARG 15 -13.962 2.936 1.558 115 2HD ARG 15 2HD ARG 15 -15.557 2.303 2.001 116 HE ARG 15 HE ARG 15 -13.718 1.009 0.003 117 1HH1 ARG 15 1HH2 ARG 15 -16.897 0.751 0.667 118 2HH1 ARG 15 2HH2 ARG 15 -16.862 -0.857 1.312 119 1HH2 ARG 15 1HH1 ARG 15 -13.403 -0.977 1.540 120 2HH2 ARG 15 2HH1 ARG 15 -14.885 -1.834 1.807 121 H ASN 16 H ASN 16 -12.350 3.464 -2.810 122 HA ASN 16 HA ASN 16 -13.000 5.264 -5.007 123 1HB ASN 16 1HB ASN 16 -10.791 4.513 -3.262 124 2HB ASN 16 2HB ASN 16 -10.247 4.688 -4.935 125 1HD2 ASN 16 1HD2 ASN 16 -9.247 6.596 -3.286 126 2HD2 ASN 16 2HD2 ASN 16 -10.053 8.076 -3.476 127 HA PRO 17 HA PRO 17 -12.566 1.832 -7.867 128 1HB PRO 17 1HB PRO 17 -14.150 2.929 -9.814 129 2HB PRO 17 2HB PRO 17 -14.803 2.113 -8.381 130 1HG PRO 17 1HG PRO 17 -14.769 4.960 -9.067 131 2HG PRO 17 2HG PRO 17 -15.767 4.099 -7.890 132 1HD PRO 17 1HD PRO 17 -13.393 5.683 -7.431 133 2HD PRO 17 2HD PRO 17 -14.460 4.912 -6.237 134 H SER 18 H SER 18 -11.738 5.182 -8.280 135 HA SER 18 HA SER 18 -10.554 4.837 -10.951 136 1HB SER 18 1HB SER 18 -11.598 6.908 -9.500 137 2HB SER 18 2HB SER 18 -9.870 7.180 -9.283 138 HG SER 18 HG SER 18 -9.616 7.538 -11.360 139 H LEU 19 H LEU 19 -9.428 4.960 -7.593 140 HA LEU 19 HA LEU 19 -6.614 5.132 -8.269 141 1HB LEU 19 1HB LEU 19 -6.355 5.232 -5.988 142 2HB LEU 19 2HB LEU 19 -8.055 5.659 -6.107 143 HG LEU 19 HG LEU 19 -6.834 3.049 -5.222 144 1HD1 LEU 19 1HD1 LEU 19 -8.966 3.627 -3.639 145 2HD1 LEU 19 2HD1 LEU 19 -8.500 5.243 -4.158 146 3HD1 LEU 19 3HD1 LEU 19 -7.337 4.223 -3.325 147 1HD2 LEU 19 1HD2 LEU 19 -9.456 3.477 -6.591 148 2HD2 LEU 19 2HD2 LEU 19 -9.444 2.455 -5.158 149 3HD2 LEU 19 3HD2 LEU 19 -8.441 2.037 -6.541 150 H LYS 20 H LYS 20 -5.381 3.082 -6.791 151 HA LYS 20 HA LYS 20 -6.460 0.474 -7.526 152 1HB LYS 20 1HB LYS 20 -4.432 0.151 -9.169 153 2HB LYS 20 2HB LYS 20 -5.877 0.983 -9.744 154 1HG LYS 20 1HG LYS 20 -4.854 3.129 -9.475 155 2HG LYS 20 2HG LYS 20 -3.521 2.454 -8.538 156 1HD LYS 20 1HD LYS 20 -2.356 2.048 -10.424 157 2HD LYS 20 2HD LYS 20 -3.696 1.112 -11.087 158 1HE LYS 20 1HE LYS 20 -3.210 3.019 -12.568 159 2HE LYS 20 2HE LYS 20 -4.781 3.279 -11.783 160 1HZ LYS 20 1HZ LYS 20 -2.138 4.398 -11.005 161 2HZ LYS 20 2HZ LYS 20 -3.498 4.451 -9.988 162 3HZ LYS 20 3HZ LYS 20 -3.520 5.258 -11.483 163 H LEU 21 H LEU 21 -4.485 -1.196 -7.448 164 HA LEU 21 HA LEU 21 -2.978 -0.489 -4.969 165 1HB LEU 21 1HB LEU 21 -4.034 -3.036 -6.201 166 2HB LEU 21 2HB LEU 21 -2.872 -3.074 -4.880 167 HG LEU 21 HG LEU 21 -4.404 -2.304 -3.328 168 1HD1 LEU 21 1HD1 LEU 21 -4.870 -0.151 -4.471 169 2HD1 LEU 21 2HD1 LEU 21 -6.354 -0.877 -3.858 170 3HD1 LEU 21 3HD1 LEU 21 -5.966 -0.980 -5.575 171 1HD2 LEU 21 1HD2 LEU 21 -6.795 -3.065 -4.605 172 2HD2 LEU 21 2HD2 LEU 21 -5.769 -4.068 -3.577 173 3HD2 LEU 21 3HD2 LEU 21 -5.529 -4.061 -5.325 174 H MET 22 H MET 22 -0.728 -0.995 -4.827 175 HA MET 22 HA MET 22 0.564 -1.459 -7.476 176 1HB MET 22 1HB MET 22 2.252 -0.330 -5.401 177 2HB MET 22 2HB MET 22 1.878 0.325 -6.970 178 1HG MET 22 1HG MET 22 -0.238 1.243 -6.100 179 2HG MET 22 2HG MET 22 0.145 0.593 -4.507 180 1HE MET 22 1HE MET 22 -0.661 3.174 -5.656 181 2HE MET 22 2HE MET 22 0.564 4.299 -6.235 182 3HE MET 22 3HE MET 22 0.106 4.303 -4.532 183 H VAL 23 H VAL 23 2.185 -2.975 -7.639 184 HA VAL 23 HA VAL 23 2.448 -4.871 -5.346 185 HB VAL 23 HB VAL 23 2.559 -4.960 -8.331 186 1HG1 VAL 23 1HG1 VAL 23 4.769 -5.878 -7.596 187 2HG1 VAL 23 2HG1 VAL 23 3.738 -7.095 -8.349 188 3HG1 VAL 23 3HG1 VAL 23 3.910 -7.048 -6.595 189 1HG2 VAL 23 1HG2 VAL 23 1.639 -7.352 -7.073 190 2HG2 VAL 23 2HG2 VAL 23 0.689 -6.141 -7.937 191 3HG2 VAL 23 3HG2 VAL 23 0.952 -5.981 -6.200 192 H ASN 24 H ASN 24 4.778 -5.940 -5.360 193 HA ASN 24 HA ASN 24 6.851 -3.846 -5.894 194 1HB ASN 24 1HB ASN 24 6.748 -5.500 -3.374 195 2HB ASN 24 2HB ASN 24 7.648 -4.015 -3.673 196 1HD2 ASN 24 1HD2 ASN 24 5.462 -4.703 -1.613 197 2HD2 ASN 24 2HD2 ASN 24 4.315 -3.467 -1.801 198 H VAL 25 H VAL 25 9.104 -4.870 -5.418 199 HA VAL 25 HA VAL 25 9.903 -6.718 -7.239 200 HB VAL 25 HB VAL 25 11.550 -5.681 -5.940 201 1HG1 VAL 25 1HG1 VAL 25 11.007 -4.966 -3.882 202 2HG1 VAL 25 2HG1 VAL 25 11.250 -6.607 -3.286 203 3HG1 VAL 25 3HG1 VAL 25 9.648 -6.086 -3.805 204 1HG2 VAL 25 1HG2 VAL 25 12.916 -7.423 -5.111 205 2HG2 VAL 25 2HG2 VAL 25 11.890 -8.213 -6.309 206 3HG2 VAL 25 3HG2 VAL 25 11.529 -8.379 -4.591 207 H CYS 26 H CYS 26 9.426 -7.924 -3.869 208 HA CYS 26 HA CYS 26 9.382 -10.653 -4.456 209 1HB CYS 26 1HB CYS 26 7.792 -10.667 -2.372 210 2HB CYS 26 2HB CYS 26 9.413 -10.010 -2.183 211 H GLY 27 H GLY 27 6.974 -8.257 -5.189 212 1HA GLY 27 1HA GLY 27 5.128 -8.506 -6.652 213 2HA GLY 27 2HA GLY 27 5.428 -10.243 -6.687 214 H HIS 28 H HIS 28 3.934 -7.629 -4.829 215 HA HIS 28 HA HIS 28 2.164 -9.687 -3.604 216 1HB HIS 28 1HB HIS 28 4.047 -7.779 -2.303 217 2HB HIS 28 2HB HIS 28 2.496 -8.049 -1.500 218 HD2 HIS 28 2HD HIS 28 2.170 -11.241 -2.282 219 HE1 HIS 28 1HE HIS 28 5.815 -11.753 -0.233 220 HE2 HIS 28 2HE HIS 28 3.771 -12.941 -1.135 221 H THR 29 H THR 29 1.746 -6.598 -2.208 222 HA THR 29 HA THR 29 0.251 -5.253 -4.235 223 HB THR 29 HB THR 29 -1.005 -7.540 -2.820 224 HG1 THR 29 1HG THR 29 -1.125 -6.221 -5.283 225 1HG2 THR 29 1HG2 THR 29 -2.385 -5.958 -1.744 226 2HG2 THR 29 2HG2 THR 29 -3.296 -6.372 -3.196 227 3HG2 THR 29 3HG2 THR 29 -2.374 -4.870 -3.132 228 H LEU 30 H LEU 30 0.137 -3.225 -3.461 229 HA LEU 30 HA LEU 30 -0.534 -2.761 -0.579 230 1HB LEU 30 1HB LEU 30 1.951 -2.711 -1.142 231 2HB LEU 30 2HB LEU 30 1.619 -1.310 -2.143 232 HG LEU 30 HG LEU 30 0.571 -0.285 -0.072 233 1HD1 LEU 30 1HD1 LEU 30 0.322 -2.380 1.187 234 2HD1 LEU 30 2HD1 LEU 30 1.241 -1.173 2.084 235 3HD1 LEU 30 3HD1 LEU 30 2.077 -2.503 1.287 236 1HD2 LEU 30 1HD2 LEU 30 2.645 0.588 0.664 237 2HD2 LEU 30 2HD2 LEU 30 2.931 0.117 -1.011 238 3HD2 LEU 30 3HD2 LEU 30 3.485 -0.917 0.303 239 H CYS 31 H CYS 31 -2.625 -2.038 -1.211 240 HA CYS 31 HA CYS 31 -3.508 -0.619 -3.346 241 1HB CYS 31 1HB CYS 31 -5.360 -0.385 -2.090 242 2HB CYS 31 2HB CYS 31 -4.458 -1.202 -0.837 243 H GLU 32 H GLU 32 -3.765 1.541 -3.961 244 HA GLU 32 HA GLU 32 -1.561 3.250 -3.896 245 1HB GLU 32 1HB GLU 32 -3.112 4.921 -4.699 246 2HB GLU 32 2HB GLU 32 -3.665 3.358 -5.296 247 1HG GLU 32 1HG GLU 32 -4.736 4.774 -2.835 248 2HG GLU 32 2HG GLU 32 -5.540 4.705 -4.402 249 H SER 33 H SER 33 -4.295 3.195 -1.586 250 HA SER 33 HA SER 33 -3.339 5.397 0.011 251 1HB SER 33 1HB SER 33 -5.480 3.261 0.244 252 2HB SER 33 2HB SER 33 -5.071 4.256 1.642 253 HG SER 33 HG SER 33 -5.474 6.105 0.421 254 H CYS 34 H CYS 34 -2.335 2.074 -0.181 255 HA CYS 34 HA CYS 34 -1.464 1.968 2.642 256 1HB CYS 34 1HB CYS 34 -1.265 0.184 0.208 257 2HB CYS 34 2HB CYS 34 -0.217 -0.086 1.600 258 H VAL 35 H VAL 35 0.064 2.067 -0.588 259 HA VAL 35 HA VAL 35 2.749 2.316 0.062 260 HB VAL 35 HB VAL 35 0.930 3.019 -2.101 261 1HG1 VAL 35 1HG1 VAL 35 1.534 5.290 -2.017 262 2HG1 VAL 35 2HG1 VAL 35 2.701 4.618 -3.155 263 3HG1 VAL 35 3HG1 VAL 35 3.176 4.930 -1.486 264 1HG2 VAL 35 1HG2 VAL 35 2.295 1.428 -2.900 265 2HG2 VAL 35 2HG2 VAL 35 3.489 1.728 -1.645 266 3HG2 VAL 35 3HG2 VAL 35 3.502 2.696 -3.116 267 H ASP 36 H ASP 36 0.167 4.606 0.679 268 HA ASP 36 HA ASP 36 1.964 6.841 1.278 269 1HB ASP 36 1HB ASP 36 0.007 7.974 1.072 270 2HB ASP 36 2HB ASP 36 -0.731 6.439 0.637 271 H LEU 37 H LEU 37 -0.298 4.930 3.358 272 HA LEU 37 HA LEU 37 0.878 5.850 5.815 273 1HB LEU 37 1HB LEU 37 -1.259 4.221 4.901 274 2HB LEU 37 2HB LEU 37 -0.316 3.234 6.018 275 HG LEU 37 HG LEU 37 -1.968 4.433 7.313 276 1HD1 LEU 37 1HD1 LEU 37 -0.003 6.280 8.182 277 2HD1 LEU 37 2HD1 LEU 37 0.867 4.860 7.601 278 3HD1 LEU 37 3HD1 LEU 37 -0.356 4.690 8.860 279 1HD2 LEU 37 1HD2 LEU 37 -1.105 6.680 5.551 280 2HD2 LEU 37 2HD2 LEU 37 -1.572 7.090 7.201 281 3HD2 LEU 37 3HD2 LEU 37 -2.716 6.270 6.138 282 H LEU 38 H LEU 38 1.440 3.040 3.779 283 HA LEU 38 HA LEU 38 3.130 1.499 5.419 284 1HB LEU 38 1HB LEU 38 2.092 1.294 2.976 285 2HB LEU 38 2HB LEU 38 3.686 1.873 2.496 286 HG LEU 38 HG LEU 38 3.795 -0.523 2.499 287 1HD1 LEU 38 1HD1 LEU 38 5.561 0.957 3.826 288 2HD1 LEU 38 2HD1 LEU 38 5.667 -0.803 3.839 289 3HD1 LEU 38 3HD1 LEU 38 4.947 0.048 5.206 290 1HD2 LEU 38 1HD2 LEU 38 3.101 -0.828 5.371 291 2HD2 LEU 38 2HD2 LEU 38 2.720 -1.876 4.004 292 3HD2 LEU 38 3HD2 LEU 38 1.757 -0.428 4.301 293 H PHE 39 H PHE 39 4.070 4.080 3.102 294 HA PHE 39 HA PHE 39 6.859 3.938 4.019 295 1HB PHE 39 1HB PHE 39 5.591 5.831 2.045 296 2HB PHE 39 2HB PHE 39 7.281 5.326 2.121 297 HD1 PHE 39 1HD PHE 39 5.479 5.046 -0.330 298 HD2 PHE 39 2HD PHE 39 6.341 2.376 2.920 299 HE1 PHE 39 1HE PHE 39 4.921 3.106 -1.766 300 HE2 PHE 39 2HE PHE 39 5.780 0.440 1.486 301 HZ PHE 39 HZ PHE 39 5.060 0.803 -0.847 302 H VAL 40 H VAL 40 4.145 6.251 4.346 303 HA VAL 40 HA VAL 40 5.586 8.500 5.224 304 HB VAL 40 HB VAL 40 3.552 8.978 6.602 305 1HG1 VAL 40 1HG1 VAL 40 3.525 8.170 3.756 306 2HG1 VAL 40 2HG1 VAL 40 3.082 9.707 4.497 307 3HG1 VAL 40 3HG1 VAL 40 1.946 8.359 4.517 308 1HG2 VAL 40 1HG2 VAL 40 1.721 7.315 6.557 309 2HG2 VAL 40 2HG2 VAL 40 3.138 6.708 7.409 310 3HG2 VAL 40 3HG2 VAL 40 2.801 6.168 5.765 311 H ARG 41 H ARG 41 5.228 5.396 6.775 312 HA ARG 41 HA ARG 41 6.146 6.362 9.405 313 1HB ARG 41 1HB ARG 41 6.153 3.474 8.588 314 2HB ARG 41 2HB ARG 41 5.661 4.197 10.116 315 1HG ARG 41 1HG ARG 41 3.862 5.251 8.262 316 2HG ARG 41 2HG ARG 41 4.061 3.571 7.769 317 1HD ARG 41 1HD ARG 41 3.466 4.433 10.623 318 2HD ARG 41 2HD ARG 41 2.232 3.883 9.471 319 HE ARG 41 HE ARG 41 4.312 2.209 10.727 320 1HH1 ARG 41 1HH1 ARG 41 2.417 2.672 7.902 321 2HH1 ARG 41 2HH1 ARG 41 2.117 0.984 7.656 322 1HH2 ARG 41 1HH2 ARG 41 3.769 0.001 10.543 323 2HH2 ARG 41 2HH2 ARG 41 2.883 -0.529 9.152 324 H GLY 42 H GLY 42 7.454 3.781 7.287 325 1HA GLY 42 1HA GLY 42 10.154 4.989 7.615 326 2HA GLY 42 2HA GLY 42 9.915 3.309 8.078 327 H ALA 43 H ALA 43 7.893 3.491 5.512 328 HA ALA 43 HA ALA 43 8.136 2.858 3.221 329 1HB ALA 43 1HB ALA 43 10.930 3.861 3.184 330 2HB ALA 43 2HB ALA 43 9.709 5.023 3.706 331 3HB ALA 43 3HB ALA 43 9.580 4.260 2.121 332 H GLY 44 H GLY 44 8.800 0.956 2.221 333 1HA GLY 44 1HA GLY 44 10.251 -0.886 1.758 334 2HA GLY 44 2HA GLY 44 11.305 -0.352 3.069 335 H ASN 45 H ASN 45 7.819 -1.191 2.962 336 HA ASN 45 HA ASN 45 8.338 -3.489 4.766 337 1HB ASN 45 1HB ASN 45 6.456 -1.230 5.498 338 2HB ASN 45 2HB ASN 45 6.930 -2.593 6.511 339 1HD2 ASN 45 1HD2 ASN 45 9.375 -2.698 7.012 340 2HD2 ASN 45 2HD2 ASN 45 10.199 -1.226 7.202 341 H CYS 46 H CYS 46 7.535 -4.479 2.688 342 HA CYS 46 HA CYS 46 5.193 -4.218 1.311 343 1HB CYS 46 1HB CYS 46 7.080 -6.143 1.703 344 2HB CYS 46 2HB CYS 46 5.671 -6.926 2.406 345 HA PRO 47 HA PRO 47 1.901 -4.504 4.233 346 1HB PRO 47 1HB PRO 47 -0.139 -5.059 2.502 347 2HB PRO 47 2HB PRO 47 0.638 -3.491 2.610 348 1HG PRO 47 1HG PRO 47 0.983 -5.662 0.616 349 2HG PRO 47 2HG PRO 47 1.005 -3.915 0.374 350 1HD PRO 47 1HD PRO 47 3.221 -5.558 0.539 351 2HD PRO 47 2HD PRO 47 3.247 -3.801 0.770 352 H GLU 48 H GLU 48 3.012 -7.184 2.452 353 HA GLU 48 HA GLU 48 1.374 -9.033 4.157 354 1HB GLU 48 1HB GLU 48 0.872 -10.369 2.301 355 2HB GLU 48 2HB GLU 48 0.821 -8.748 1.613 356 1HG GLU 48 1HG GLU 48 3.133 -10.716 1.442 357 2HG GLU 48 2HG GLU 48 2.115 -10.165 0.113 358 H CYS 49 H CYS 49 4.558 -8.331 2.845 359 HA CYS 49 HA CYS 49 5.608 -10.677 4.368 360 1HB CYS 49 1HB CYS 49 6.735 -11.465 2.506 361 2HB CYS 49 2HB CYS 49 5.360 -10.721 1.705 362 H GLY 50 H GLY 50 5.589 -7.418 4.309 363 1HA GLY 50 1HA GLY 50 7.055 -5.782 5.125 364 2HA GLY 50 2HA GLY 50 7.918 -7.107 5.908 365 H THR 51 H THR 51 9.529 -8.263 4.583 366 HA THR 51 HA THR 51 11.401 -8.267 3.154 367 HB THR 51 HB THR 51 9.087 -7.157 1.621 368 HG1 THR 51 1HG THR 51 9.961 -9.450 2.037 369 1HG2 THR 51 1HG2 THR 51 10.757 -7.248 -0.419 370 2HG2 THR 51 2HG2 THR 51 11.960 -6.858 0.814 371 3HG2 THR 51 3HG2 THR 51 10.602 -5.768 0.531 372 HA PRO 52 HA PRO 52 13.049 -4.337 4.489 373 1HB PRO 52 1HB PRO 52 15.675 -4.994 4.035 374 2HB PRO 52 2HB PRO 52 14.773 -5.507 5.476 375 1HG PRO 52 1HG PRO 52 15.377 -7.010 2.962 376 2HG PRO 52 2HG PRO 52 15.427 -7.564 4.645 377 1HD PRO 52 1HD PRO 52 13.364 -8.114 2.965 378 2HD PRO 52 2HD PRO 52 13.147 -7.914 4.718 379 H LEU 53 H LEU 53 12.238 -3.084 2.731 380 HA LEU 53 HA LEU 53 13.869 -3.077 0.225 381 1HB LEU 53 1HB LEU 53 11.052 -2.431 1.015 382 2HB LEU 53 2HB LEU 53 11.739 -1.580 -0.370 383 HG LEU 53 HG LEU 53 12.000 -4.572 -0.148 384 1HD1 LEU 53 1HD1 LEU 53 9.612 -3.004 -1.160 385 2HD1 LEU 53 2HD1 LEU 53 9.626 -4.211 0.126 386 3HD1 LEU 53 3HD1 LEU 53 9.903 -4.700 -1.546 387 1HD2 LEU 53 1HD2 LEU 53 12.966 -4.271 -2.160 388 2HD2 LEU 53 2HD2 LEU 53 12.708 -2.533 -2.023 389 3HD2 LEU 53 3HD2 LEU 53 11.477 -3.551 -2.768 390 H ARG 54 H ARG 54 15.327 -1.418 0.050 391 HA ARG 54 HA ARG 54 15.263 0.821 1.958 392 1HB ARG 54 1HB ARG 54 17.110 -0.482 0.064 393 2HB ARG 54 2HB ARG 54 17.319 1.265 0.188 394 1HG ARG 54 1HG ARG 54 16.973 -0.214 2.747 395 2HG ARG 54 2HG ARG 54 18.495 -0.472 1.891 396 1HD ARG 54 1HD ARG 54 17.523 2.349 2.170 397 2HD ARG 54 2HD ARG 54 18.219 1.562 3.601 398 HE ARG 54 HE ARG 54 19.631 2.101 1.042 399 1HH1 ARG 54 1HH1 ARG 54 20.839 3.032 3.541 400 2HH1 ARG 54 2HH1 ARG 54 21.979 1.785 3.924 401 1HH2 ARG 54 1HH2 ARG 54 20.545 -0.547 1.795 402 2HH2 ARG 54 2HH2 ARG 54 21.812 -0.241 2.936 403 H LYS 55 H LYS 55 13.074 0.716 -0.040 404 HA LYS 55 HA LYS 55 13.052 3.465 -0.855 405 1HB LYS 55 1HB LYS 55 14.820 2.154 -2.342 406 2HB LYS 55 2HB LYS 55 13.376 1.649 -3.221 407 1HG LYS 55 1HG LYS 55 13.843 4.550 -2.543 408 2HG LYS 55 2HG LYS 55 14.570 3.829 -3.978 409 1HD LYS 55 1HD LYS 55 11.615 3.973 -3.313 410 2HD LYS 55 2HD LYS 55 12.447 4.826 -4.612 411 1HE LYS 55 1HE LYS 55 11.924 1.849 -4.378 412 2HE LYS 55 2HE LYS 55 11.449 2.948 -5.687 413 1HZ LYS 55 1HZ LYS 55 13.912 3.402 -5.928 414 2HZ LYS 55 2HZ LYS 55 13.398 1.860 -6.424 415 3HZ LYS 55 3HZ LYS 55 14.180 2.059 -4.929 416 H SER 56 H SER 56 10.940 4.004 -1.385 417 HA SER 56 HA SER 56 8.812 2.140 -1.064 418 1HB SER 56 1HB SER 56 7.740 4.180 -2.527 419 2HB SER 56 2HB SER 56 8.080 4.295 -0.803 420 HG SER 56 HG SER 56 9.757 5.520 -1.170 421 H ASN 57 H ASN 57 9.625 0.373 -2.564 422 HA ASN 57 HA ASN 57 9.416 0.948 -5.471 423 1HB ASN 57 1HB ASN 57 10.344 -1.362 -5.617 424 2HB ASN 57 2HB ASN 57 11.313 -0.326 -4.567 425 1HD2 ASN 57 1HD2 ASN 57 9.266 -3.163 -4.665 426 2HD2 ASN 57 2HD2 ASN 57 9.410 -3.567 -3.024 427 H PHE 58 H PHE 58 6.982 1.279 -5.294 428 HA PHE 58 HA PHE 58 5.588 -1.371 -5.378 429 1HB PHE 58 1HB PHE 58 4.509 1.247 -4.241 430 2HB PHE 58 2HB PHE 58 3.689 -0.303 -4.223 431 HD1 PHE 58 1HD PHE 58 7.017 1.115 -3.188 432 HD2 PHE 58 2HD PHE 58 3.813 -1.614 -2.342 433 HE1 PHE 58 1HE PHE 58 8.155 0.426 -1.096 434 HE2 PHE 58 2HE PHE 58 4.946 -2.292 -0.243 435 HZ PHE 58 HZ PHE 58 7.119 -1.274 0.377 436 H ARG 59 H ARG 59 5.045 -1.651 -7.486 437 HA ARG 59 HA ARG 59 4.547 0.674 -9.241 438 1HB ARG 59 1HB ARG 59 4.306 -1.236 -10.944 439 2HB ARG 59 2HB ARG 59 5.879 -1.064 -10.175 440 1HG ARG 59 1HG ARG 59 5.451 -2.906 -8.688 441 2HG ARG 59 2HG ARG 59 3.744 -2.950 -9.140 442 1HD ARG 59 1HD ARG 59 5.255 -3.175 -11.550 443 2HD ARG 59 2HD ARG 59 5.949 -4.316 -10.382 444 HE ARG 59 HE ARG 59 3.126 -4.490 -10.167 445 1HH1 ARG 59 1HH1 ARG 59 5.825 -5.729 -11.799 446 2HH1 ARG 59 2HH1 ARG 59 4.913 -6.695 -12.912 447 1HH2 ARG 59 1HH2 ARG 59 1.842 -5.444 -11.893 448 2HH2 ARG 59 2HH2 ARG 59 2.659 -6.532 -12.964 449 H VAL 60 H VAL 60 2.571 1.534 -9.132 450 HA VAL 60 HA VAL 60 0.244 -0.029 -8.279 451 HB VAL 60 HB VAL 60 0.802 2.189 -7.413 452 1HG1 VAL 60 1HG1 VAL 60 1.727 3.568 -8.972 453 2HG1 VAL 60 2HG1 VAL 60 0.057 3.991 -9.349 454 3HG1 VAL 60 3HG1 VAL 60 0.896 2.773 -10.309 455 1HG2 VAL 60 1HG2 VAL 60 -1.734 1.413 -8.606 456 2HG2 VAL 60 2HG2 VAL 60 -1.559 3.168 -8.604 457 3HG2 VAL 60 3HG2 VAL 60 -1.436 2.268 -7.093 458 H GLN 61 H GLN 61 -1.544 -0.507 -9.468 459 HA GLN 61 HA GLN 61 -2.209 0.521 -12.060 460 1HB GLN 61 1HB GLN 61 -1.374 -1.253 -13.460 461 2HB GLN 61 2HB GLN 61 -0.021 -0.741 -12.450 462 1HG GLN 61 1HG GLN 61 -1.231 -2.661 -10.882 463 2HG GLN 61 2HG GLN 61 -1.457 -3.310 -12.508 464 1HE2 GLN 61 1HE2 GLN 61 1.039 -2.180 -10.208 465 2HE2 GLN 61 2HE2 GLN 61 2.328 -2.989 -10.960 466 H LEU 62 H LEU 62 -3.833 -1.145 -13.148 467 HA LEU 62 HA LEU 62 -5.038 -3.253 -11.655 468 1HB LEU 62 1HB LEU 62 -5.364 -0.820 -10.425 469 2HB LEU 62 2HB LEU 62 -6.842 -0.934 -11.373 470 HG LEU 62 HG LEU 62 -7.260 -3.186 -10.399 471 1HD1 LEU 62 1HD1 LEU 62 -4.639 -3.308 -9.853 472 2HD1 LEU 62 2HD1 LEU 62 -5.823 -4.212 -8.914 473 3HD1 LEU 62 3HD1 LEU 62 -5.195 -2.683 -8.302 474 1HD2 LEU 62 1HD2 LEU 62 -7.856 -0.819 -9.318 475 2HD2 LEU 62 2HD2 LEU 62 -6.786 -1.404 -8.043 476 3HD2 LEU 62 3HD2 LEU 62 -8.225 -2.326 -8.478 477 H PHE 63 H PHE 63 -6.649 -0.435 -13.161 478 HA PHE 63 HA PHE 63 -8.262 -2.099 -14.890 479 1HB PHE 63 1HB PHE 63 -8.559 0.325 -13.914 480 2HB PHE 63 2HB PHE 63 -7.674 0.815 -15.358 481 HD1 PHE 63 1HD PHE 63 -8.583 0.289 -17.624 482 HD2 PHE 63 2HD PHE 63 -10.822 -0.479 -14.039 483 HE1 PHE 63 1HE PHE 63 -10.657 0.071 -18.965 484 HE2 PHE 63 2HE PHE 63 -12.895 -0.696 -15.381 485 HZ PHE 63 HZ PHE 63 -12.814 -0.422 -17.844 486 H GLU 64 H GLU 64 -6.962 -3.359 -16.283 487 HA GLU 64 HA GLU 64 -5.465 -3.811 -18.065 488 1HB GLU 64 1HB GLU 64 -6.899 -1.235 -18.706 489 2HB GLU 64 2HB GLU 64 -5.769 -1.946 -19.859 490 1HG GLU 64 1HG GLU 64 -7.895 -3.673 -18.627 491 2HG GLU 64 2HG GLU 64 -8.326 -2.590 -19.952 492 H ASP 65 H ASP 65 -3.906 -2.099 -19.629 493 HA ASP 65 HA ASP 65 -2.325 -0.368 -17.821 494 1HB ASP 65 1HB ASP 65 -0.269 -1.778 -18.472 495 2HB ASP 65 2HB ASP 65 -1.378 -2.495 -17.303 Start of MODEL 5 1 1H MET 1 1HT MET 1 -8.467 -5.334 -8.636 2 2H MET 1 2HT MET 1 -9.880 -4.815 -9.424 3 3H MET 1 3HT MET 1 -8.849 -5.937 -10.174 4 HA MET 1 HA MET 1 -10.682 -7.181 -9.352 5 1HB MET 1 1HB MET 1 -8.499 -8.197 -9.110 6 2HB MET 1 2HB MET 1 -8.176 -7.268 -7.645 7 1HG MET 1 1HG MET 1 -9.268 -8.773 -6.362 8 2HG MET 1 2HG MET 1 -10.666 -8.769 -7.437 9 1HE MET 1 1HE MET 1 -11.067 -11.205 -6.874 10 2HE MET 1 2HE MET 1 -10.626 -12.324 -8.161 11 3HE MET 1 3HE MET 1 -11.414 -10.801 -8.561 12 H ASP 2 H ASP 2 -9.691 -4.573 -7.319 13 HA ASP 2 HA ASP 2 -10.590 -3.707 -5.302 14 1HB ASP 2 1HB ASP 2 -13.115 -4.927 -6.442 15 2HB ASP 2 2HB ASP 2 -12.962 -3.442 -5.503 16 H ASP 3 H ASP 3 -13.124 -4.979 -4.179 17 HA ASP 3 HA ASP 3 -13.650 -6.556 -2.503 18 1HB ASP 3 1HB ASP 3 -11.774 -8.095 -4.321 19 2HB ASP 3 2HB ASP 3 -12.714 -8.849 -3.033 20 H GLN 4 H GLN 4 -10.654 -8.264 -2.660 21 HA GLN 4 HA GLN 4 -9.961 -7.514 0.059 22 1HB GLN 4 1HB GLN 4 -9.551 -9.737 -0.910 23 2HB GLN 4 2HB GLN 4 -8.480 -9.026 -2.120 24 1HG GLN 4 1HG GLN 4 -7.085 -9.906 -0.359 25 2HG GLN 4 2HG GLN 4 -7.070 -8.150 -0.203 26 1HE2 GLN 4 1HE2 GLN 4 -6.473 -9.704 2.070 27 2HE2 GLN 4 2HE2 GLN 4 -7.753 -9.602 3.179 28 H GLY 5 H GLY 5 -7.739 -7.416 -2.716 29 1HA GLY 5 1HA GLY 5 -5.921 -5.936 -3.063 30 2HA GLY 5 2HA GLY 5 -7.240 -4.771 -3.146 31 H CYS 6 H CYS 6 -6.905 -3.062 -1.838 32 HA CYS 6 HA CYS 6 -4.962 -2.449 -0.094 33 1HB CYS 6 1HB CYS 6 -6.699 -0.884 -0.548 34 2HB CYS 6 2HB CYS 6 -7.933 -1.929 0.115 35 HA PRO 7 HA PRO 7 -5.620 -5.668 3.025 36 1HB PRO 7 1HB PRO 7 -2.963 -6.159 3.434 37 2HB PRO 7 2HB PRO 7 -3.895 -6.911 2.127 38 1HG PRO 7 1HG PRO 7 -1.890 -4.754 2.027 39 2HG PRO 7 2HG PRO 7 -2.373 -5.905 0.776 40 1HD PRO 7 1HD PRO 7 -3.161 -3.191 1.024 41 2HD PRO 7 2HD PRO 7 -3.772 -4.386 -0.135 42 H ARG 8 H ARG 8 -4.337 -2.526 3.045 43 HA ARG 8 HA ARG 8 -3.726 -2.663 5.978 44 1HB ARG 8 1HB ARG 8 -2.113 -1.821 4.031 45 2HB ARG 8 2HB ARG 8 -3.003 -0.313 4.255 46 1HG ARG 8 1HG ARG 8 -2.212 -0.012 6.408 47 2HG ARG 8 2HG ARG 8 -2.005 -1.741 6.688 48 1HD ARG 8 1HD ARG 8 0.063 -1.798 5.579 49 2HD ARG 8 2HD ARG 8 -0.301 -0.344 4.627 50 HE ARG 8 HE ARG 8 0.692 0.833 6.423 51 1HH1 ARG 8 1HH2 ARG 8 1.006 -2.086 7.678 52 2HH1 ARG 8 2HH2 ARG 8 0.456 -1.738 9.283 53 1HH2 ARG 8 1HH1 ARG 8 -0.877 1.350 8.442 54 2HH2 ARG 8 2HH1 ARG 8 -0.610 0.207 9.715 55 H CYS 9 H CYS 9 -5.080 -0.271 3.644 56 HA CYS 9 HA CYS 9 -6.839 0.705 5.871 57 1HB CYS 9 1HB CYS 9 -7.182 2.374 3.632 58 2HB CYS 9 2HB CYS 9 -6.243 2.725 5.068 59 H LYS 10 H LYS 10 -7.513 -1.757 4.640 60 HA LYS 10 HA LYS 10 -9.052 -2.348 2.650 61 1HB LYS 10 1HB LYS 10 -10.524 -3.570 4.058 62 2HB LYS 10 2HB LYS 10 -9.030 -3.401 4.972 63 1HG LYS 10 1HG LYS 10 -11.648 -1.959 5.370 64 2HG LYS 10 2HG LYS 10 -10.709 -2.881 6.539 65 1HD LYS 10 1HD LYS 10 -8.897 -1.133 6.342 66 2HD LYS 10 2HD LYS 10 -10.011 -0.174 5.369 67 1HE LYS 10 1HE LYS 10 -9.967 0.368 7.883 68 2HE LYS 10 2HE LYS 10 -11.570 0.017 7.206 69 1HZ LYS 10 1HZ LYS 10 -11.547 -2.117 8.072 70 2HZ LYS 10 2HZ LYS 10 -10.778 -1.247 9.312 71 3HZ LYS 10 3HZ LYS 10 -9.858 -2.166 8.218 72 H THR 11 H THR 11 -9.539 -0.304 1.482 73 HA THR 11 HA THR 11 -12.344 0.398 1.744 74 HB THR 11 HB THR 11 -10.783 1.548 3.619 75 HG1 THR 11 1HG THR 11 -12.971 1.834 3.553 76 1HG2 THR 11 1HG2 THR 11 -10.641 3.406 1.219 77 2HG2 THR 11 2HG2 THR 11 -9.293 2.742 2.149 78 3HG2 THR 11 3HG2 THR 11 -10.365 3.933 2.882 79 H THR 12 H THR 12 -9.221 1.690 0.652 80 HA THR 12 HA THR 12 -9.845 3.381 -1.367 81 HB THR 12 HB THR 12 -7.744 2.203 -2.455 82 HG1 THR 12 1HG THR 12 -7.422 1.225 0.114 83 1HG2 THR 12 1HG2 THR 12 -7.414 3.200 0.334 84 2HG2 THR 12 2HG2 THR 12 -8.128 4.264 -0.881 85 3HG2 THR 12 3HG2 THR 12 -6.506 3.616 -1.116 86 H LYS 13 H LYS 13 -8.626 0.690 -3.099 87 HA LYS 13 HA LYS 13 -10.255 0.881 -5.270 88 1HB LYS 13 1HB LYS 13 -9.343 -1.176 -5.881 89 2HB LYS 13 2HB LYS 13 -8.232 -0.627 -4.639 90 1HG LYS 13 1HG LYS 13 -10.607 -2.373 -3.989 91 2HG LYS 13 2HG LYS 13 -9.042 -3.042 -4.446 92 1HD LYS 13 1HD LYS 13 -7.997 -1.698 -2.624 93 2HD LYS 13 2HD LYS 13 -9.617 -1.201 -2.109 94 1HE LYS 13 1HE LYS 13 -8.822 -4.121 -2.397 95 2HE LYS 13 2HE LYS 13 -8.673 -3.239 -0.870 96 1HZ LYS 13 1HZ LYS 13 -10.887 -3.194 -0.610 97 2HZ LYS 13 2HZ LYS 13 -10.932 -4.435 -1.768 98 3HZ LYS 13 3HZ LYS 13 -11.176 -2.823 -2.241 99 H TYR 14 H TYR 14 -11.250 -0.441 -2.182 100 HA TYR 14 HA TYR 14 -13.616 -1.785 -3.207 101 1HB TYR 14 1HB TYR 14 -12.302 -2.080 -0.980 102 2HB TYR 14 2HB TYR 14 -13.215 -0.695 -0.413 103 HD1 TYR 14 1HD TYR 14 -13.499 -3.267 0.957 104 HD2 TYR 14 2HD TYR 14 -15.537 -1.774 -2.517 105 HE1 TYR 14 1HE TYR 14 -15.423 -4.750 1.448 106 HE2 TYR 14 2HE TYR 14 -17.461 -3.258 -2.026 107 HH TYR 14 HH TYR 14 -18.244 -4.878 -0.726 108 H ARG 15 H ARG 15 -12.922 1.349 -1.690 109 HA ARG 15 HA ARG 15 -15.642 2.375 -2.272 110 1HB ARG 15 1HB ARG 15 -13.287 3.050 -0.616 111 2HB ARG 15 2HB ARG 15 -14.112 4.447 -1.292 112 1HG ARG 15 1HG ARG 15 -15.532 4.214 0.471 113 2HG ARG 15 2HG ARG 15 -16.207 2.856 -0.433 114 1HD ARG 15 1HD ARG 15 -13.981 2.706 1.629 115 2HD ARG 15 2HD ARG 15 -15.631 2.089 1.819 116 HE ARG 15 HE ARG 15 -13.546 0.970 -0.008 117 1HH1 ARG 15 1HH2 ARG 15 -16.185 0.787 -1.338 118 2HH1 ARG 15 2HH2 ARG 15 -16.817 -0.710 -0.740 119 1HH2 ARG 15 1HH1 ARG 15 -14.600 -0.886 1.923 120 2HH2 ARG 15 2HH1 ARG 15 -15.918 -1.660 1.107 121 H ASN 16 H ASN 16 -12.390 3.729 -2.725 122 HA ASN 16 HA ASN 16 -13.062 5.370 -4.983 123 1HB ASN 16 1HB ASN 16 -10.724 4.481 -3.392 124 2HB ASN 16 2HB ASN 16 -10.345 4.968 -5.049 125 1HD2 ASN 16 1HD2 ASN 16 -9.226 6.676 -3.413 126 2HD2 ASN 16 2HD2 ASN 16 -10.130 8.095 -3.181 127 HA PRO 17 HA PRO 17 -12.754 1.982 -7.897 128 1HB PRO 17 1HB PRO 17 -13.895 3.326 -9.988 129 2HB PRO 17 2HB PRO 17 -14.825 2.673 -8.627 130 1HG PRO 17 1HG PRO 17 -14.216 5.447 -9.314 131 2HG PRO 17 2HG PRO 17 -15.431 4.808 -8.202 132 1HD PRO 17 1HD PRO 17 -12.813 5.916 -7.604 133 2HD PRO 17 2HD PRO 17 -14.118 5.459 -6.486 134 H SER 18 H SER 18 -12.148 5.167 -9.458 135 HA SER 18 HA SER 18 -10.463 4.309 -11.518 136 1HB SER 18 1HB SER 18 -10.967 6.510 -11.765 137 2HB SER 18 2HB SER 18 -11.037 6.782 -10.026 138 HG SER 18 HG SER 18 -9.247 7.831 -10.557 139 H LEU 19 H LEU 19 -9.569 5.003 -8.161 140 HA LEU 19 HA LEU 19 -6.774 5.141 -8.287 141 1HB LEU 19 1HB LEU 19 -6.951 4.689 -5.979 142 2HB LEU 19 2HB LEU 19 -8.572 5.241 -6.379 143 HG LEU 19 HG LEU 19 -7.644 2.354 -6.125 144 1HD1 LEU 19 1HD1 LEU 19 -8.431 2.512 -4.042 145 2HD1 LEU 19 2HD1 LEU 19 -9.998 3.025 -4.648 146 3HD1 LEU 19 3HD1 LEU 19 -8.755 4.223 -4.285 147 1HD2 LEU 19 1HD2 LEU 19 -10.289 3.524 -7.051 148 2HD2 LEU 19 2HD2 LEU 19 -10.021 1.823 -6.695 149 3HD2 LEU 19 3HD2 LEU 19 -9.174 2.582 -8.025 150 H LYS 20 H LYS 20 -5.613 3.031 -6.953 151 HA LYS 20 HA LYS 20 -6.320 0.421 -7.969 152 1HB LYS 20 1HB LYS 20 -4.230 0.317 -9.481 153 2HB LYS 20 2HB LYS 20 -5.585 1.267 -10.091 154 1HG LYS 20 1HG LYS 20 -3.826 2.862 -8.399 155 2HG LYS 20 2HG LYS 20 -2.954 2.156 -9.760 156 1HD LYS 20 1HD LYS 20 -5.622 3.347 -10.342 157 2HD LYS 20 2HD LYS 20 -4.315 4.470 -9.965 158 1HE LYS 20 1HE LYS 20 -3.320 4.104 -11.982 159 2HE LYS 20 2HE LYS 20 -3.484 2.345 -11.819 160 1HZ LYS 20 1HZ LYS 20 -5.618 4.277 -12.586 161 2HZ LYS 20 2HZ LYS 20 -5.871 2.619 -12.315 162 3HZ LYS 20 3HZ LYS 20 -4.892 3.131 -13.604 163 H LEU 21 H LEU 21 -4.304 -1.095 -7.633 164 HA LEU 21 HA LEU 21 -3.026 -0.252 -5.074 165 1HB LEU 21 1HB LEU 21 -4.019 -2.825 -6.264 166 2HB LEU 21 2HB LEU 21 -2.807 -2.878 -4.986 167 HG LEU 21 HG LEU 21 -4.264 -1.949 -3.396 168 1HD1 LEU 21 1HD1 LEU 21 -6.376 -0.774 -4.010 169 2HD1 LEU 21 2HD1 LEU 21 -5.976 -0.986 -5.713 170 3HD1 LEU 21 3HD1 LEU 21 -4.958 0.024 -4.689 171 1HD2 LEU 21 1HD2 LEU 21 -6.633 -3.031 -4.175 172 2HD2 LEU 21 2HD2 LEU 21 -5.293 -3.981 -3.533 173 3HD2 LEU 21 3HD2 LEU 21 -5.529 -3.856 -5.276 174 H MET 22 H MET 22 -0.775 -0.495 -4.823 175 HA MET 22 HA MET 22 0.685 -1.139 -7.337 176 1HB MET 22 1HB MET 22 2.203 0.300 -5.317 177 2HB MET 22 2HB MET 22 1.871 0.762 -6.972 178 1HG MET 22 1HG MET 22 -0.327 1.646 -6.295 179 2HG MET 22 2HG MET 22 -0.019 1.156 -4.630 180 1HE MET 22 1HE MET 22 -0.124 4.734 -4.353 181 2HE MET 22 2HE MET 22 -1.029 3.529 -5.265 182 3HE MET 22 3HE MET 22 -0.107 4.762 -6.122 183 H VAL 23 H VAL 23 1.861 -2.944 -7.316 184 HA VAL 23 HA VAL 23 2.317 -4.395 -4.775 185 HB VAL 23 HB VAL 23 2.344 -4.926 -7.722 186 1HG1 VAL 23 1HG1 VAL 23 3.922 -6.460 -5.663 187 2HG1 VAL 23 2HG1 VAL 23 4.415 -5.959 -7.280 188 3HG1 VAL 23 3HG1 VAL 23 3.255 -7.272 -7.078 189 1HG2 VAL 23 1HG2 VAL 23 1.028 -5.976 -5.249 190 2HG2 VAL 23 2HG2 VAL 23 1.182 -7.052 -6.638 191 3HG2 VAL 23 3HG2 VAL 23 0.308 -5.529 -6.796 192 H ASN 24 H ASN 24 4.545 -5.292 -4.348 193 HA ASN 24 HA ASN 24 6.654 -3.396 -5.321 194 1HB ASN 24 1HB ASN 24 7.687 -4.154 -3.027 195 2HB ASN 24 2HB ASN 24 6.404 -2.943 -3.060 196 1HD2 ASN 24 1HD2 ASN 24 5.941 -3.735 -0.779 197 2HD2 ASN 24 2HD2 ASN 24 4.987 -5.125 -0.582 198 H VAL 25 H VAL 25 8.919 -4.405 -4.899 199 HA VAL 25 HA VAL 25 9.672 -6.269 -6.686 200 HB VAL 25 HB VAL 25 11.340 -5.252 -5.401 201 1HG1 VAL 25 1HG1 VAL 25 11.090 -6.215 -2.760 202 2HG1 VAL 25 2HG1 VAL 25 9.474 -5.698 -3.241 203 3HG1 VAL 25 3HG1 VAL 25 10.825 -4.566 -3.325 204 1HG2 VAL 25 1HG2 VAL 25 11.514 -7.836 -3.939 205 2HG2 VAL 25 2HG2 VAL 25 12.731 -7.005 -4.910 206 3HG2 VAL 25 3HG2 VAL 25 11.448 -7.921 -5.700 207 H CYS 26 H CYS 26 9.332 -7.563 -3.329 208 HA CYS 26 HA CYS 26 9.237 -10.257 -3.948 209 1HB CYS 26 1HB CYS 26 7.845 -10.473 -1.880 210 2HB CYS 26 2HB CYS 26 9.204 -9.372 -1.672 211 H GLY 27 H GLY 27 6.761 -7.877 -4.594 212 1HA GLY 27 1HA GLY 27 4.981 -8.109 -6.140 213 2HA GLY 27 2HA GLY 27 5.340 -9.830 -6.255 214 H HIS 28 H HIS 28 3.904 -7.402 -4.056 215 HA HIS 28 HA HIS 28 2.070 -9.578 -3.140 216 1HB HIS 28 1HB HIS 28 3.894 -7.804 -1.650 217 2HB HIS 28 2HB HIS 28 2.268 -7.905 -0.974 218 HD2 HIS 28 2HD HIS 28 1.638 -11.047 -1.670 219 HE1 HIS 28 1HE HIS 28 5.191 -11.932 0.414 220 HE2 HIS 28 2HE HIS 28 3.031 -12.902 -0.486 221 H THR 29 H THR 29 1.676 -6.405 -1.763 222 HA THR 29 HA THR 29 -0.020 -5.298 -3.830 223 HB THR 29 HB THR 29 -1.147 -7.116 -1.719 224 HG1 THR 29 1HG THR 29 -1.431 -6.666 -4.480 225 1HG2 THR 29 1HG2 THR 29 -2.575 -4.752 -2.978 226 2HG2 THR 29 2HG2 THR 29 -2.335 -5.059 -1.258 227 3HG2 THR 29 3HG2 THR 29 -3.411 -6.095 -2.197 228 H LEU 30 H LEU 30 -0.730 -3.231 -3.269 229 HA LEU 30 HA LEU 30 -0.809 -2.279 -0.512 230 1HB LEU 30 1HB LEU 30 1.665 -2.470 -1.486 231 2HB LEU 30 2HB LEU 30 1.250 -0.925 -2.211 232 HG LEU 30 HG LEU 30 0.596 -0.109 0.049 233 1HD1 LEU 30 1HD1 LEU 30 2.055 -2.310 1.358 234 2HD1 LEU 30 2HD1 LEU 30 0.456 -2.725 0.745 235 3HD1 LEU 30 3HD1 LEU 30 0.646 -1.422 1.917 236 1HD2 LEU 30 1HD2 LEU 30 3.390 -1.238 0.149 237 2HD2 LEU 30 2HD2 LEU 30 2.821 0.296 0.796 238 3HD2 LEU 30 3HD2 LEU 30 2.966 0.073 -0.946 239 H CYS 31 H CYS 31 -2.882 -1.513 -1.127 240 HA CYS 31 HA CYS 31 -3.566 -0.165 -3.482 241 1HB CYS 31 1HB CYS 31 -5.551 0.042 -2.436 242 2HB CYS 31 2HB CYS 31 -4.818 -0.947 -1.210 243 H GLU 32 H GLU 32 -4.215 2.138 -3.615 244 HA GLU 32 HA GLU 32 -2.071 3.924 -3.541 245 1HB GLU 32 1HB GLU 32 -4.096 5.649 -3.195 246 2HB GLU 32 2HB GLU 32 -3.895 4.766 -4.704 247 1HG GLU 32 1HG GLU 32 -5.477 3.400 -2.599 248 2HG GLU 32 2HG GLU 32 -6.226 4.799 -3.359 249 H SER 33 H SER 33 -4.693 3.655 -1.143 250 HA SER 33 HA SER 33 -3.557 5.361 0.821 251 1HB SER 33 1HB SER 33 -5.654 3.137 0.954 252 2HB SER 33 2HB SER 33 -5.329 4.304 2.248 253 HG SER 33 HG SER 33 -6.034 5.940 1.035 254 H CYS 34 H CYS 34 -2.697 2.108 -0.068 255 HA CYS 34 HA CYS 34 -1.682 1.473 2.643 256 1HB CYS 34 1HB CYS 34 -1.740 0.073 -0.041 257 2HB CYS 34 2HB CYS 34 -0.714 -0.501 1.257 258 H VAL 35 H VAL 35 -0.266 1.777 -0.646 259 HA VAL 35 HA VAL 35 2.440 1.901 0.028 260 HB VAL 35 HB VAL 35 0.669 2.778 -2.140 261 1HG1 VAL 35 1HG1 VAL 35 3.171 4.372 -1.556 262 2HG1 VAL 35 2HG1 VAL 35 1.546 4.987 -1.855 263 3HG1 VAL 35 3HG1 VAL 35 2.470 4.261 -3.170 264 1HG2 VAL 35 1HG2 VAL 35 1.957 0.851 -2.494 265 2HG2 VAL 35 2HG2 VAL 35 3.426 1.611 -1.881 266 3HG2 VAL 35 3HG2 VAL 35 2.769 2.090 -3.445 267 H ASP 36 H ASP 36 -0.090 4.270 0.587 268 HA ASP 36 HA ASP 36 1.716 6.453 1.253 269 1HB ASP 36 1HB ASP 36 -0.247 7.587 1.169 270 2HB ASP 36 2HB ASP 36 -1.003 6.066 0.714 271 H LEU 37 H LEU 37 -0.452 4.457 3.339 272 HA LEU 37 HA LEU 37 0.711 5.275 5.810 273 1HB LEU 37 1HB LEU 37 -0.688 2.729 4.938 274 2HB LEU 37 2HB LEU 37 -0.382 3.157 6.622 275 HG LEU 37 HG LEU 37 -2.022 4.762 4.636 276 1HD1 LEU 37 1HD1 LEU 37 -3.576 4.147 6.845 277 2HD1 LEU 37 2HD1 LEU 37 -2.638 2.674 6.601 278 3HD1 LEU 37 3HD1 LEU 37 -3.634 3.313 5.293 279 1HD2 LEU 37 1HD2 LEU 37 -0.665 5.511 7.073 280 2HD2 LEU 37 2HD2 LEU 37 -2.410 5.628 7.305 281 3HD2 LEU 37 3HD2 LEU 37 -1.634 6.518 5.996 282 H LEU 38 H LEU 38 1.477 2.610 3.622 283 HA LEU 38 HA LEU 38 3.348 1.175 5.156 284 1HB LEU 38 1HB LEU 38 2.506 1.489 2.424 285 2HB LEU 38 2HB LEU 38 4.259 1.374 2.470 286 HG LEU 38 HG LEU 38 3.255 -0.855 2.261 287 1HD1 LEU 38 1HD1 LEU 38 4.080 -1.299 4.961 288 2HD1 LEU 38 2HD1 LEU 38 5.065 0.008 4.306 289 3HD1 LEU 38 3HD1 LEU 38 5.010 -1.552 3.485 290 1HD2 LEU 38 1HD2 LEU 38 1.110 -0.296 3.394 291 2HD2 LEU 38 2HD2 LEU 38 1.962 -0.216 4.936 292 3HD2 LEU 38 3HD2 LEU 38 1.851 -1.748 4.067 293 H PHE 39 H PHE 39 4.011 3.902 2.917 294 HA PHE 39 HA PHE 39 6.797 4.032 3.833 295 1HB PHE 39 1HB PHE 39 5.369 5.866 1.915 296 2HB PHE 39 2HB PHE 39 7.086 5.459 1.954 297 HD1 PHE 39 1HD PHE 39 6.545 2.457 2.612 298 HD2 PHE 39 2HD PHE 39 5.050 5.121 -0.406 299 HE1 PHE 39 1HE PHE 39 6.067 0.522 1.146 300 HE2 PHE 39 2HE PHE 39 4.572 3.180 -1.874 301 HZ PHE 39 HZ PHE 39 5.067 0.885 -1.080 302 H VAL 40 H VAL 40 3.863 6.058 4.227 303 HA VAL 40 HA VAL 40 5.034 8.439 5.125 304 HB VAL 40 HB VAL 40 3.010 8.653 6.569 305 1HG1 VAL 40 1HG1 VAL 40 2.266 9.296 4.529 306 2HG1 VAL 40 2HG1 VAL 40 1.453 7.732 4.501 307 3HG1 VAL 40 3HG1 VAL 40 3.023 7.924 3.720 308 1HG2 VAL 40 1HG2 VAL 40 2.980 6.306 7.352 309 2HG2 VAL 40 2HG2 VAL 40 2.544 5.782 5.728 310 3HG2 VAL 40 3HG2 VAL 40 1.427 6.778 6.661 311 H ARG 41 H ARG 41 5.019 5.314 6.704 312 HA ARG 41 HA ARG 41 5.853 6.324 9.323 313 1HB ARG 41 1HB ARG 41 6.369 3.526 8.355 314 2HB ARG 41 2HB ARG 41 5.802 4.066 9.933 315 1HG ARG 41 1HG ARG 41 3.759 4.902 8.308 316 2HG ARG 41 2HG ARG 41 4.272 3.421 7.498 317 1HD ARG 41 1HD ARG 41 3.334 3.735 10.365 318 2HD ARG 41 2HD ARG 41 2.646 2.704 9.095 319 HE ARG 41 HE ARG 41 4.765 1.912 10.802 320 1HH1 ARG 41 1HH1 ARG 41 3.479 1.506 7.687 321 2HH1 ARG 41 2HH1 ARG 41 4.769 0.504 7.113 322 1HH2 ARG 41 1HH2 ARG 41 6.704 0.903 9.962 323 2HH2 ARG 41 2HH2 ARG 41 6.595 0.163 8.400 324 H GLY 42 H GLY 42 7.555 4.163 7.043 325 1HA GLY 42 1HA GLY 42 9.929 5.846 6.995 326 2HA GLY 42 2HA GLY 42 10.137 4.406 7.992 327 H ALA 43 H ALA 43 8.030 4.314 5.189 328 HA ALA 43 HA ALA 43 8.231 3.051 3.177 329 1HB ALA 43 1HB ALA 43 10.957 4.201 3.742 330 2HB ALA 43 2HB ALA 43 9.805 4.652 2.485 331 3HB ALA 43 3HB ALA 43 10.719 3.150 2.346 332 H GLY 44 H GLY 44 9.749 1.137 2.235 333 1HA GLY 44 1HA GLY 44 10.427 -1.073 2.532 334 2HA GLY 44 2HA GLY 44 11.222 -0.514 3.999 335 H ASN 45 H ASN 45 10.277 -2.949 4.259 336 HA ASN 45 HA ASN 45 8.955 -4.204 5.769 337 1HB ASN 45 1HB ASN 45 7.361 -1.697 6.284 338 2HB ASN 45 2HB ASN 45 7.731 -3.014 7.394 339 1HD2 ASN 45 1HD2 ASN 45 10.226 -3.267 7.828 340 2HD2 ASN 45 2HD2 ASN 45 11.104 -1.825 8.004 341 H CYS 46 H CYS 46 8.207 -5.042 3.562 342 HA CYS 46 HA CYS 46 6.024 -4.360 2.036 343 1HB CYS 46 1HB CYS 46 7.438 -6.471 1.924 344 2HB CYS 46 2HB CYS 46 6.486 -7.096 3.263 345 HA PRO 47 HA PRO 47 2.522 -3.974 4.706 346 1HB PRO 47 1HB PRO 47 0.581 -4.741 2.900 347 2HB PRO 47 2HB PRO 47 1.385 -3.179 2.888 348 1HG PRO 47 1HG PRO 47 2.112 -5.661 1.359 349 2HG PRO 47 2HG PRO 47 1.803 -4.039 0.717 350 1HD PRO 47 1HD PRO 47 4.285 -4.793 1.126 351 2HD PRO 47 2HD PRO 47 3.786 -3.185 1.686 352 H GLU 48 H GLU 48 3.654 -6.936 3.412 353 HA GLU 48 HA GLU 48 2.014 -8.399 5.418 354 1HB GLU 48 1HB GLU 48 1.561 -10.115 3.616 355 2HB GLU 48 2HB GLU 48 0.766 -8.564 3.383 356 1HG GLU 48 1HG GLU 48 3.017 -8.034 2.047 357 2HG GLU 48 2HG GLU 48 3.027 -9.789 1.864 358 H CYS 49 H CYS 49 4.677 -8.831 2.995 359 HA CYS 49 HA CYS 49 5.821 -10.886 4.844 360 1HB CYS 49 1HB CYS 49 6.676 -11.904 2.950 361 2HB CYS 49 2HB CYS 49 5.275 -11.102 2.257 362 H GLY 50 H GLY 50 6.102 -7.904 5.225 363 1HA GLY 50 1HA GLY 50 7.805 -6.343 5.673 364 2HA GLY 50 2HA GLY 50 8.712 -7.764 6.192 365 H THR 51 H THR 51 10.148 -8.749 4.664 366 HA THR 51 HA THR 51 11.727 -8.720 2.914 367 HB THR 51 HB THR 51 9.175 -7.595 1.795 368 HG1 THR 51 1HG THR 51 9.551 -9.492 0.455 369 1HG2 THR 51 1HG2 THR 51 10.464 -6.339 0.362 370 2HG2 THR 51 2HG2 THR 51 10.571 -7.886 -0.479 371 3HG2 THR 51 3HG2 THR 51 11.885 -7.362 0.575 372 HA PRO 52 HA PRO 52 13.488 -4.724 3.835 373 1HB PRO 52 1HB PRO 52 15.956 -5.262 2.755 374 2HB PRO 52 2HB PRO 52 15.452 -5.829 4.361 375 1HG PRO 52 1HG PRO 52 15.497 -7.280 1.748 376 2HG PRO 52 2HG PRO 52 15.973 -7.847 3.357 377 1HD PRO 52 1HD PRO 52 13.590 -8.472 2.206 378 2HD PRO 52 2HD PRO 52 13.795 -8.307 3.965 379 H LEU 53 H LEU 53 11.966 -3.826 2.158 380 HA LEU 53 HA LEU 53 12.377 -3.871 -0.629 381 1HB LEU 53 1HB LEU 53 11.000 -2.326 1.426 382 2HB LEU 53 2HB LEU 53 11.430 -1.330 0.035 383 HG LEU 53 HG LEU 53 10.480 -3.626 -1.161 384 1HD1 LEU 53 1HD1 LEU 53 8.772 -3.057 1.282 385 2HD1 LEU 53 2HD1 LEU 53 9.769 -4.494 1.056 386 3HD1 LEU 53 3HD1 LEU 53 8.392 -4.200 -0.006 387 1HD2 LEU 53 1HD2 LEU 53 9.934 -1.259 -1.707 388 2HD2 LEU 53 2HD2 LEU 53 8.873 -1.198 -0.302 389 3HD2 LEU 53 3HD2 LEU 53 8.489 -2.268 -1.652 390 H ARG 54 H ARG 54 12.877 -1.320 -1.559 391 HA ARG 54 HA ARG 54 15.682 -0.802 -0.621 392 1HB ARG 54 1HB ARG 54 14.536 -1.513 -3.172 393 2HB ARG 54 2HB ARG 54 15.332 0.056 -3.297 394 1HG ARG 54 1HG ARG 54 17.297 -1.044 -3.424 395 2HG ARG 54 2HG ARG 54 17.059 -1.532 -1.746 396 1HD ARG 54 1HD ARG 54 15.459 -3.180 -3.537 397 2HD ARG 54 2HD ARG 54 17.181 -3.246 -3.964 398 HE ARG 54 HE ARG 54 15.988 -4.272 -1.512 399 1HH1 ARG 54 1HH2 ARG 54 18.803 -3.904 -3.313 400 2HH1 ARG 54 2HH2 ARG 54 19.887 -4.048 -1.970 401 1HH2 ARG 54 1HH1 ARG 54 17.370 -3.987 0.413 402 2HH2 ARG 54 2HH1 ARG 54 19.077 -4.095 0.138 403 H LYS 55 H LYS 55 12.903 0.761 -2.282 404 HA LYS 55 HA LYS 55 13.154 3.140 -0.603 405 1HB LYS 55 1HB LYS 55 13.523 4.465 -2.920 406 2HB LYS 55 2HB LYS 55 14.873 3.921 -1.928 407 1HG LYS 55 1HG LYS 55 15.195 3.309 -4.303 408 2HG LYS 55 2HG LYS 55 15.065 1.878 -3.284 409 1HD LYS 55 1HD LYS 55 13.679 1.460 -5.189 410 2HD LYS 55 2HD LYS 55 12.578 1.853 -3.871 411 1HE LYS 55 1HE LYS 55 11.714 3.448 -5.251 412 2HE LYS 55 2HE LYS 55 13.233 4.337 -5.020 413 1HZ LYS 55 1HZ LYS 55 12.596 2.309 -7.101 414 2HZ LYS 55 2HZ LYS 55 14.177 2.843 -6.786 415 3HZ LYS 55 3HZ LYS 55 13.003 3.937 -7.342 416 H SER 56 H SER 56 10.873 2.177 -0.463 417 HA SER 56 HA SER 56 8.589 2.206 -1.089 418 1HB SER 56 1HB SER 56 7.897 4.411 -1.544 419 2HB SER 56 2HB SER 56 9.461 4.649 -0.767 420 HG SER 56 HG SER 56 10.078 5.582 -2.516 421 H ASN 57 H ASN 57 9.763 0.470 -2.773 422 HA ASN 57 HA ASN 57 9.326 1.364 -5.580 423 1HB ASN 57 1HB ASN 57 10.343 -0.969 -5.994 424 2HB ASN 57 2HB ASN 57 11.390 0.224 -5.222 425 1HD2 ASN 57 1HD2 ASN 57 9.183 -2.508 -4.436 426 2HD2 ASN 57 2HD2 ASN 57 9.986 -2.941 -3.007 427 H PHE 58 H PHE 58 6.963 1.418 -5.462 428 HA PHE 58 HA PHE 58 5.744 -1.320 -5.480 429 1HB PHE 58 1HB PHE 58 4.598 1.299 -4.420 430 2HB PHE 58 2HB PHE 58 3.748 -0.243 -4.428 431 HD1 PHE 58 1HD PHE 58 7.083 1.120 -3.333 432 HD2 PHE 58 2HD PHE 58 3.810 -1.544 -2.540 433 HE1 PHE 58 1HE PHE 58 8.161 0.424 -1.213 434 HE2 PHE 58 2HE PHE 58 4.883 -2.228 -0.415 435 HZ PHE 58 HZ PHE 58 7.059 -1.246 0.248 436 H ARG 59 H ARG 59 4.952 -1.769 -7.466 437 HA ARG 59 HA ARG 59 4.587 0.383 -9.453 438 1HB ARG 59 1HB ARG 59 4.108 -1.681 -10.904 439 2HB ARG 59 2HB ARG 59 5.715 -1.581 -10.191 440 1HG ARG 59 1HG ARG 59 5.257 -3.250 -8.608 441 2HG ARG 59 2HG ARG 59 3.513 -2.998 -8.709 442 1HD ARG 59 1HD ARG 59 4.141 -5.103 -9.852 443 2HD ARG 59 2HD ARG 59 3.562 -3.922 -11.044 444 HE ARG 59 HE ARG 59 6.467 -3.894 -10.484 445 1HH1 ARG 59 1HH2 ARG 59 4.055 -5.574 -12.221 446 2HH1 ARG 59 2HH2 ARG 59 4.938 -5.604 -13.710 447 1HH2 ARG 59 1HH1 ARG 59 7.536 -3.642 -12.515 448 2HH2 ARG 59 2HH1 ARG 59 6.910 -4.510 -13.877 449 H VAL 60 H VAL 60 2.702 1.444 -9.292 450 HA VAL 60 HA VAL 60 0.237 0.147 -8.355 451 HB VAL 60 HB VAL 60 1.013 2.359 -7.622 452 1HG1 VAL 60 1HG1 VAL 60 1.824 3.833 -9.120 453 2HG1 VAL 60 2HG1 VAL 60 0.261 3.889 -9.936 454 3HG1 VAL 60 3HG1 VAL 60 1.464 2.692 -10.416 455 1HG2 VAL 60 1HG2 VAL 60 -1.144 3.027 -7.382 456 2HG2 VAL 60 2HG2 VAL 60 -1.563 1.622 -8.362 457 3HG2 VAL 60 3HG2 VAL 60 -1.365 3.200 -9.123 458 H GLN 61 H GLN 61 -1.484 -0.398 -9.579 459 HA GLN 61 HA GLN 61 -2.165 0.631 -12.160 460 1HB GLN 61 1HB GLN 61 -1.381 -1.247 -13.544 461 2HB GLN 61 2HB GLN 61 -0.012 -0.515 -12.707 462 1HG GLN 61 1HG GLN 61 0.467 -2.560 -11.882 463 2HG GLN 61 2HG GLN 61 -1.017 -2.455 -10.934 464 1HE2 GLN 61 1HE2 GLN 61 -0.651 -4.986 -11.512 465 2HE2 GLN 61 2HE2 GLN 61 -1.501 -5.516 -12.883 466 H LEU 62 H LEU 62 -3.790 -1.043 -13.246 467 HA LEU 62 HA LEU 62 -4.931 -3.137 -11.618 468 1HB LEU 62 1HB LEU 62 -5.368 -0.667 -10.591 469 2HB LEU 62 2HB LEU 62 -6.760 -0.793 -11.664 470 HG LEU 62 HG LEU 62 -6.811 -3.253 -10.501 471 1HD1 LEU 62 1HD1 LEU 62 -6.054 -1.407 -8.233 472 2HD1 LEU 62 2HD1 LEU 62 -4.845 -2.401 -9.046 473 3HD1 LEU 62 3HD1 LEU 62 -6.198 -3.165 -8.214 474 1HD2 LEU 62 1HD2 LEU 62 -8.382 -0.978 -10.538 475 2HD2 LEU 62 2HD2 LEU 62 -8.087 -1.208 -8.815 476 3HD2 LEU 62 3HD2 LEU 62 -8.825 -2.500 -9.764 477 H PHE 63 H PHE 63 -6.008 -4.402 -13.081 478 HA PHE 63 HA PHE 63 -7.733 -3.190 -15.146 479 1HB PHE 63 1HB PHE 63 -5.242 -3.228 -15.873 480 2HB PHE 63 2HB PHE 63 -5.450 -4.975 -15.997 481 HD1 PHE 63 1HD PHE 63 -5.817 -5.681 -18.182 482 HD2 PHE 63 2HD PHE 63 -7.545 -1.975 -16.866 483 HE1 PHE 63 1HE PHE 63 -6.889 -5.394 -20.400 484 HE2 PHE 63 2HE PHE 63 -8.617 -1.688 -19.083 485 HZ PHE 63 HZ PHE 63 -8.290 -3.397 -20.850 486 H GLU 64 H GLU 64 -8.825 -4.982 -16.437 487 HA GLU 64 HA GLU 64 -10.071 -6.913 -14.849 488 1HB GLU 64 1HB GLU 64 -10.569 -7.995 -17.058 489 2HB GLU 64 2HB GLU 64 -10.809 -6.248 -17.083 490 1HG GLU 64 1HG GLU 64 -9.359 -6.122 -18.802 491 2HG GLU 64 2HG GLU 64 -8.085 -6.696 -17.726 492 H ASP 65 H ASP 65 -8.863 -8.315 -13.572 493 HA ASP 65 HA ASP 65 -6.342 -9.385 -13.920 494 1HB ASP 65 1HB ASP 65 -7.140 -11.207 -12.497 495 2HB ASP 65 2HB ASP 65 -7.926 -9.708 -12.003 Start of MODEL 6 1 1H MET 1 1HT MET 1 -16.536 -4.578 1.772 2 2H MET 1 2HT MET 1 -15.012 -5.166 1.306 3 3H MET 1 3HT MET 1 -16.260 -5.034 0.162 4 HA MET 1 HA MET 1 -15.925 -2.836 -0.171 5 1HB MET 1 1HB MET 1 -15.344 -1.393 1.820 6 2HB MET 1 2HB MET 1 -16.819 -2.337 2.029 7 1HG MET 1 1HG MET 1 -14.870 -4.069 2.936 8 2HG MET 1 2HG MET 1 -14.267 -2.503 3.477 9 1HE MET 1 1HE MET 1 -15.619 -3.723 6.676 10 2HE MET 1 2HE MET 1 -14.381 -3.992 5.451 11 3HE MET 1 3HE MET 1 -15.748 -5.097 5.570 12 H ASP 2 H ASP 2 -13.942 -4.910 -0.535 13 HA ASP 2 HA ASP 2 -11.614 -3.518 -1.271 14 1HB ASP 2 1HB ASP 2 -10.180 -4.246 0.785 15 2HB ASP 2 2HB ASP 2 -11.216 -2.833 0.966 16 H ASP 3 H ASP 3 -13.206 -5.834 -1.994 17 HA ASP 3 HA ASP 3 -12.523 -8.395 -1.474 18 1HB ASP 3 1HB ASP 3 -12.857 -6.852 -4.016 19 2HB ASP 3 2HB ASP 3 -12.384 -8.548 -4.128 20 H GLN 4 H GLN 4 -10.417 -8.598 -0.527 21 HA GLN 4 HA GLN 4 -8.125 -9.165 -0.620 22 1HB GLN 4 1HB GLN 4 -9.165 -10.242 -2.773 23 2HB GLN 4 2HB GLN 4 -8.337 -8.935 -3.618 24 1HG GLN 4 1HG GLN 4 -6.883 -10.898 -3.536 25 2HG GLN 4 2HG GLN 4 -6.207 -9.628 -2.515 26 1HE2 GLN 4 1HE2 GLN 4 -7.534 -12.862 -2.522 27 2HE2 GLN 4 2HE2 GLN 4 -7.391 -13.140 -0.854 28 H GLY 5 H GLY 5 -8.562 -7.104 -3.490 29 1HA GLY 5 1HA GLY 5 -6.731 -5.494 -4.058 30 2HA GLY 5 2HA GLY 5 -8.090 -4.646 -3.336 31 H CYS 6 H CYS 6 -7.501 -3.235 -1.765 32 HA CYS 6 HA CYS 6 -4.889 -2.963 -0.748 33 1HB CYS 6 1HB CYS 6 -6.353 -1.123 -0.601 34 2HB CYS 6 2HB CYS 6 -7.655 -2.091 0.064 35 HA PRO 7 HA PRO 7 -5.060 -6.193 2.364 36 1HB PRO 7 1HB PRO 7 -2.372 -6.190 2.859 37 2HB PRO 7 2HB PRO 7 -3.096 -6.985 1.447 38 1HG PRO 7 1HG PRO 7 -1.530 -4.502 1.625 39 2HG PRO 7 2HG PRO 7 -1.792 -5.574 0.245 40 1HD PRO 7 1HD PRO 7 -3.077 -3.087 0.809 41 2HD PRO 7 2HD PRO 7 -3.383 -4.185 -0.548 42 H ARG 8 H ARG 8 -3.461 -3.023 2.731 43 HA ARG 8 HA ARG 8 -3.311 -3.243 5.671 44 1HB ARG 8 1HB ARG 8 -1.765 -2.037 3.889 45 2HB ARG 8 2HB ARG 8 -2.904 -0.708 4.102 46 1HG ARG 8 1HG ARG 8 -1.816 -0.115 5.964 47 2HG ARG 8 2HG ARG 8 -2.285 -1.654 6.696 48 1HD ARG 8 1HD ARG 8 -0.277 -2.726 5.715 49 2HD ARG 8 2HD ARG 8 0.176 -1.177 4.977 50 HE ARG 8 HE ARG 8 0.634 -1.878 7.716 51 1HH1 ARG 8 1HH1 ARG 8 0.657 0.669 5.553 52 2HH1 ARG 8 2HH1 ARG 8 0.507 1.920 6.741 53 1HH2 ARG 8 1HH2 ARG 8 -0.112 -0.272 9.356 54 2HH2 ARG 8 2HH2 ARG 8 0.072 1.387 8.895 55 H CYS 9 H CYS 9 -4.697 -0.700 3.612 56 HA CYS 9 HA CYS 9 -6.767 -0.163 5.701 57 1HB CYS 9 1HB CYS 9 -7.080 1.669 3.589 58 2HB CYS 9 2HB CYS 9 -6.274 1.965 5.118 59 H LYS 10 H LYS 10 -7.207 -2.548 4.337 60 HA LYS 10 HA LYS 10 -8.449 -3.020 2.081 61 1HB LYS 10 1HB LYS 10 -9.713 -4.647 3.164 62 2HB LYS 10 2HB LYS 10 -8.498 -4.266 4.379 63 1HG LYS 10 1HG LYS 10 -10.255 -2.502 5.197 64 2HG LYS 10 2HG LYS 10 -11.402 -3.496 4.296 65 1HD LYS 10 1HD LYS 10 -9.550 -4.447 6.509 66 2HD LYS 10 2HD LYS 10 -11.300 -4.251 6.629 67 1HE LYS 10 1HE LYS 10 -11.543 -6.369 5.852 68 2HE LYS 10 2HE LYS 10 -10.767 -5.876 4.334 69 1HZ LYS 10 1HZ LYS 10 -8.606 -6.128 5.480 70 2HZ LYS 10 2HZ LYS 10 -9.458 -7.594 5.382 71 3HZ LYS 10 3HZ LYS 10 -9.411 -6.731 6.845 72 H THR 11 H THR 11 -9.152 -1.038 1.021 73 HA THR 11 HA THR 11 -11.991 -0.656 1.146 74 HB THR 11 HB THR 11 -10.696 0.461 3.267 75 HG1 THR 11 1HG THR 11 -12.853 0.335 3.263 76 1HG2 THR 11 1HG2 THR 11 -9.480 2.167 2.106 77 2HG2 THR 11 2HG2 THR 11 -10.859 2.978 2.846 78 3HG2 THR 11 3HG2 THR 11 -10.881 2.606 1.122 79 H THR 12 H THR 12 -9.117 1.345 0.567 80 HA THR 12 HA THR 12 -9.706 3.148 -1.236 81 HB THR 12 HB THR 12 -7.581 2.110 -2.497 82 HG1 THR 12 1HG THR 12 -7.287 1.042 0.059 83 1HG2 THR 12 1HG2 THR 12 -8.109 3.519 0.057 84 2HG2 THR 12 2HG2 THR 12 -7.276 4.092 -1.394 85 3HG2 THR 12 3HG2 THR 12 -6.455 3.012 -0.273 86 H LYS 13 H LYS 13 -8.509 0.444 -3.059 87 HA LYS 13 HA LYS 13 -9.760 0.991 -5.418 88 1HB LYS 13 1HB LYS 13 -9.403 -1.383 -5.892 89 2HB LYS 13 2HB LYS 13 -8.084 -0.717 -4.969 90 1HG LYS 13 1HG LYS 13 -8.617 -2.816 -3.937 91 2HG LYS 13 2HG LYS 13 -9.276 -1.566 -2.878 92 1HD LYS 13 1HD LYS 13 -11.375 -2.316 -3.193 93 2HD LYS 13 2HD LYS 13 -11.168 -2.268 -4.950 94 1HE LYS 13 1HE LYS 13 -9.707 -4.469 -4.447 95 2HE LYS 13 2HE LYS 13 -10.804 -4.558 -3.055 96 1HZ LYS 13 1HZ LYS 13 -11.493 -5.473 -5.427 97 2HZ LYS 13 2HZ LYS 13 -11.931 -3.849 -5.667 98 3HZ LYS 13 3HZ LYS 13 -12.625 -4.741 -4.398 99 H TYR 14 H TYR 14 -11.333 -0.317 -2.558 100 HA TYR 14 HA TYR 14 -13.802 -0.950 -4.063 101 1HB TYR 14 1HB TYR 14 -12.729 -2.183 -1.998 102 2HB TYR 14 2HB TYR 14 -13.543 -0.936 -1.054 103 HD1 TYR 14 1HD TYR 14 -13.912 -4.151 -2.357 104 HD2 TYR 14 2HD TYR 14 -16.062 -0.456 -1.985 105 HE1 TYR 14 1HE TYR 14 -16.053 -5.372 -2.629 106 HE2 TYR 14 2HE TYR 14 -18.205 -1.674 -2.254 107 HH TYR 14 HH TYR 14 -19.005 -3.791 -3.228 108 H ARG 15 H ARG 15 -12.842 1.263 -1.404 109 HA ARG 15 HA ARG 15 -15.287 2.795 -1.373 110 1HB ARG 15 1HB ARG 15 -12.484 3.791 -0.762 111 2HB ARG 15 2HB ARG 15 -13.990 4.336 -0.036 112 1HG ARG 15 1HG ARG 15 -12.782 1.594 0.325 113 2HG ARG 15 2HG ARG 15 -12.729 2.886 1.501 114 1HD ARG 15 1HD ARG 15 -14.545 1.564 2.178 115 2HD ARG 15 2HD ARG 15 -15.310 2.877 1.263 116 HE ARG 15 HE ARG 15 -14.514 0.446 -0.273 117 1HH1 ARG 15 1HH1 ARG 15 -16.714 2.900 -0.183 118 2HH1 ARG 15 2HH1 ARG 15 -18.133 1.924 -0.365 119 1HH2 ARG 15 1HH2 ARG 15 -16.465 -1.069 0.147 120 2HH2 ARG 15 2HH2 ARG 15 -17.991 -0.319 -0.177 121 H ASN 16 H ASN 16 -12.082 3.587 -2.576 122 HA ASN 16 HA ASN 16 -13.068 5.667 -4.416 123 1HB ASN 16 1HB ASN 16 -10.602 4.650 -3.142 124 2HB ASN 16 2HB ASN 16 -10.371 5.277 -4.775 125 1HD2 ASN 16 1HD2 ASN 16 -9.077 6.670 -2.937 126 2HD2 ASN 16 2HD2 ASN 16 -9.864 8.128 -2.549 127 HA PRO 17 HA PRO 17 -12.690 2.605 -7.686 128 1HB PRO 17 1HB PRO 17 -13.876 4.135 -9.631 129 2HB PRO 17 2HB PRO 17 -14.796 3.367 -8.323 130 1HG PRO 17 1HG PRO 17 -14.218 6.188 -8.777 131 2HG PRO 17 2HG PRO 17 -15.367 5.452 -7.653 132 1HD PRO 17 1HD PRO 17 -12.663 6.467 -7.141 133 2HD PRO 17 2HD PRO 17 -13.950 6.050 -5.985 134 H SER 18 H SER 18 -12.172 5.956 -8.857 135 HA SER 18 HA SER 18 -10.515 5.536 -11.023 136 1HB SER 18 1HB SER 18 -10.981 7.750 -10.729 137 2HB SER 18 2HB SER 18 -10.911 7.630 -8.973 138 HG SER 18 HG SER 18 -9.037 8.523 -9.178 139 H LEU 19 H LEU 19 -9.443 5.645 -7.612 140 HA LEU 19 HA LEU 19 -6.640 5.506 -8.045 141 1HB LEU 19 1HB LEU 19 -6.589 5.012 -5.745 142 2HB LEU 19 2HB LEU 19 -8.143 5.816 -5.930 143 HG LEU 19 HG LEU 19 -7.633 2.822 -5.760 144 1HD1 LEU 19 1HD1 LEU 19 -7.897 3.440 -3.578 145 2HD1 LEU 19 2HD1 LEU 19 -9.598 3.434 -4.010 146 3HD1 LEU 19 3HD1 LEU 19 -8.700 4.949 -3.990 147 1HD2 LEU 19 1HD2 LEU 19 -9.315 3.354 -7.518 148 2HD2 LEU 19 2HD2 LEU 19 -10.213 4.307 -6.351 149 3HD2 LEU 19 3HD2 LEU 19 -10.040 2.572 -6.132 150 H LYS 20 H LYS 20 -5.784 3.152 -6.749 151 HA LYS 20 HA LYS 20 -6.953 0.745 -7.804 152 1HB LYS 20 1HB LYS 20 -5.060 0.386 -9.523 153 2HB LYS 20 2HB LYS 20 -6.310 1.550 -9.960 154 1HG LYS 20 1HG LYS 20 -3.990 2.633 -8.457 155 2HG LYS 20 2HG LYS 20 -3.665 2.100 -10.106 156 1HD LYS 20 1HD LYS 20 -6.102 3.519 -10.222 157 2HD LYS 20 2HD LYS 20 -5.029 4.485 -9.207 158 1HE LYS 20 1HE LYS 20 -3.723 5.052 -10.987 159 2HE LYS 20 2HE LYS 20 -3.689 3.382 -11.586 160 1HZ LYS 20 1HZ LYS 20 -5.713 5.488 -12.024 161 2HZ LYS 20 2HZ LYS 20 -6.169 3.853 -12.099 162 3HZ LYS 20 3HZ LYS 20 -4.988 4.459 -13.159 163 H LEU 21 H LEU 21 -4.646 -0.824 -8.097 164 HA LEU 21 HA LEU 21 -3.293 -0.418 -5.453 165 1HB LEU 21 1HB LEU 21 -4.788 -2.659 -6.681 166 2HB LEU 21 2HB LEU 21 -3.308 -3.115 -5.836 167 HG LEU 21 HG LEU 21 -4.070 -2.051 -3.800 168 1HD1 LEU 21 1HD1 LEU 21 -6.124 -0.873 -5.636 169 2HD1 LEU 21 2HD1 LEU 21 -5.219 -0.104 -4.331 170 3HD1 LEU 21 3HD1 LEU 21 -6.575 -1.164 -3.958 171 1HD2 LEU 21 1HD2 LEU 21 -5.936 -3.898 -5.228 172 2HD2 LEU 21 2HD2 LEU 21 -6.466 -3.209 -3.693 173 3HD2 LEU 21 3HD2 LEU 21 -4.990 -4.172 -3.765 174 H MET 22 H MET 22 -1.148 -1.410 -5.330 175 HA MET 22 HA MET 22 0.193 -1.680 -7.980 176 1HB MET 22 1HB MET 22 1.879 -0.641 -5.838 177 2HB MET 22 2HB MET 22 1.540 0.068 -7.403 178 1HG MET 22 1HG MET 22 -0.655 0.891 -6.494 179 2HG MET 22 2HG MET 22 -0.151 0.319 -4.905 180 1HE MET 22 1HE MET 22 0.056 4.188 -4.717 181 2HE MET 22 2HE MET 22 -0.935 2.751 -4.475 182 3HE MET 22 3HE MET 22 -0.856 3.499 -6.067 183 H VAL 23 H VAL 23 2.493 -2.665 -7.593 184 HA VAL 23 HA VAL 23 2.349 -4.807 -5.505 185 HB VAL 23 HB VAL 23 2.896 -5.016 -8.480 186 1HG1 VAL 23 1HG1 VAL 23 4.522 -6.333 -7.037 187 2HG1 VAL 23 2HG1 VAL 23 3.551 -7.304 -8.144 188 3HG1 VAL 23 3HG1 VAL 23 3.132 -7.235 -6.432 189 1HG2 VAL 23 1HG2 VAL 23 0.712 -5.579 -8.507 190 2HG2 VAL 23 2HG2 VAL 23 0.627 -5.507 -6.747 191 3HG2 VAL 23 3HG2 VAL 23 1.122 -7.000 -7.545 192 H ASN 24 H ASN 24 4.451 -5.531 -4.803 193 HA ASN 24 HA ASN 24 6.682 -3.704 -5.627 194 1HB ASN 24 1HB ASN 24 7.492 -4.566 -3.236 195 2HB ASN 24 2HB ASN 24 6.363 -3.220 -3.385 196 1HD2 ASN 24 1HD2 ASN 24 5.312 -3.693 -1.332 197 2HD2 ASN 24 2HD2 ASN 24 4.329 -5.061 -1.128 198 H VAL 25 H VAL 25 8.870 -4.772 -5.106 199 HA VAL 25 HA VAL 25 9.525 -6.830 -6.788 200 HB VAL 25 HB VAL 25 11.222 -5.607 -5.671 201 1HG1 VAL 25 1HG1 VAL 25 11.062 -4.918 -3.528 202 2HG1 VAL 25 2HG1 VAL 25 10.892 -6.571 -2.942 203 3HG1 VAL 25 3HG1 VAL 25 9.474 -5.678 -3.483 204 1HG2 VAL 25 1HG2 VAL 25 11.354 -8.215 -4.180 205 2HG2 VAL 25 2HG2 VAL 25 12.671 -7.288 -4.898 206 3HG2 VAL 25 3HG2 VAL 25 11.543 -8.164 -5.932 207 H CYS 26 H CYS 26 8.765 -7.349 -3.300 208 HA CYS 26 HA CYS 26 8.833 -10.186 -3.360 209 1HB CYS 26 1HB CYS 26 7.703 -9.993 -1.241 210 2HB CYS 26 2HB CYS 26 8.724 -8.563 -1.388 211 H GLY 27 H GLY 27 6.498 -7.952 -4.605 212 1HA GLY 27 1HA GLY 27 4.838 -8.713 -6.236 213 2HA GLY 27 2HA GLY 27 4.752 -10.247 -5.366 214 H HIS 28 H HIS 28 3.183 -10.445 -3.820 215 HA HIS 28 HA HIS 28 1.173 -9.851 -2.715 216 1HB HIS 28 1HB HIS 28 3.356 -7.962 -1.819 217 2HB HIS 28 2HB HIS 28 1.784 -7.998 -1.026 218 HD2 HIS 28 2HD HIS 28 1.604 -11.397 -1.552 219 HE1 HIS 28 1HE HIS 28 4.698 -11.452 1.293 220 HE2 HIS 28 2HE HIS 28 2.942 -12.846 0.139 221 H THR 29 H THR 29 0.998 -6.755 -1.996 222 HA THR 29 HA THR 29 0.530 -5.372 -4.464 223 HB THR 29 HB THR 29 -1.518 -7.232 -3.379 224 HG1 THR 29 1HG THR 29 -1.374 -7.806 -5.373 225 1HG2 THR 29 1HG2 THR 29 -3.358 -5.828 -4.425 226 2HG2 THR 29 2HG2 THR 29 -2.215 -4.486 -4.471 227 3HG2 THR 29 3HG2 THR 29 -2.704 -5.175 -2.923 228 H LEU 30 H LEU 30 0.040 -3.226 -4.004 229 HA LEU 30 HA LEU 30 -0.732 -2.561 -1.182 230 1HB LEU 30 1HB LEU 30 1.589 -1.892 -2.785 231 2HB LEU 30 2HB LEU 30 0.760 -0.447 -2.248 232 HG LEU 30 HG LEU 30 0.982 -1.012 0.007 233 1HD1 LEU 30 1HD1 LEU 30 2.155 -3.425 0.390 234 2HD1 LEU 30 2HD1 LEU 30 1.257 -3.774 -1.079 235 3HD1 LEU 30 3HD1 LEU 30 0.405 -3.221 0.362 236 1HD2 LEU 30 1HD2 LEU 30 3.520 -2.167 -1.174 237 2HD2 LEU 30 2HD2 LEU 30 3.341 -1.251 0.321 238 3HD2 LEU 30 3HD2 LEU 30 3.152 -0.444 -1.234 239 H CYS 31 H CYS 31 -2.317 -0.964 -1.025 240 HA CYS 31 HA CYS 31 -3.498 -0.125 -3.600 241 1HB CYS 31 1HB CYS 31 -5.413 -0.001 -2.404 242 2HB CYS 31 2HB CYS 31 -4.570 -1.040 -1.320 243 H GLU 32 H GLU 32 -4.552 2.225 -3.137 244 HA GLU 32 HA GLU 32 -2.322 4.072 -3.290 245 1HB GLU 32 1HB GLU 32 -4.399 5.738 -2.800 246 2HB GLU 32 2HB GLU 32 -4.111 5.013 -4.378 247 1HG GLU 32 1HG GLU 32 -5.769 3.549 -2.371 248 2HG GLU 32 2HG GLU 32 -6.484 4.849 -3.324 249 H SER 33 H SER 33 -4.842 3.548 -0.841 250 HA SER 33 HA SER 33 -3.792 5.257 1.177 251 1HB SER 33 1HB SER 33 -5.595 2.794 1.266 252 2HB SER 33 2HB SER 33 -5.330 3.895 2.629 253 HG SER 33 HG SER 33 -6.953 4.902 1.751 254 H CYS 34 H CYS 34 -2.589 2.187 0.064 255 HA CYS 34 HA CYS 34 -1.416 1.495 2.705 256 1HB CYS 34 1HB CYS 34 -1.346 0.331 -0.097 257 2HB CYS 34 2HB CYS 34 -0.214 -0.188 1.144 258 H VAL 35 H VAL 35 0.004 1.733 -0.496 259 HA VAL 35 HA VAL 35 2.632 2.271 0.011 260 HB VAL 35 HB VAL 35 0.612 3.295 -1.976 261 1HG1 VAL 35 1HG1 VAL 35 2.335 4.302 -3.297 262 2HG1 VAL 35 2HG1 VAL 35 3.585 3.761 -2.176 263 3HG1 VAL 35 3HG1 VAL 35 2.433 5.003 -1.683 264 1HG2 VAL 35 1HG2 VAL 35 1.210 1.463 -3.148 265 2HG2 VAL 35 2HG2 VAL 35 1.982 0.913 -1.663 266 3HG2 VAL 35 3HG2 VAL 35 2.926 1.760 -2.886 267 H ASP 36 H ASP 36 -0.092 4.457 0.521 268 HA ASP 36 HA ASP 36 1.507 6.848 0.910 269 1HB ASP 36 1HB ASP 36 -0.555 7.773 0.804 270 2HB ASP 36 2HB ASP 36 -1.170 6.148 0.529 271 H LEU 37 H LEU 37 -0.213 4.687 3.256 272 HA LEU 37 HA LEU 37 1.191 6.038 5.480 273 1HB LEU 37 1HB LEU 37 -1.156 4.404 5.025 274 2HB LEU 37 2HB LEU 37 -0.202 3.741 6.352 275 HG LEU 37 HG LEU 37 -1.828 5.407 7.177 276 1HD1 LEU 37 1HD1 LEU 37 0.781 6.843 7.386 277 2HD1 LEU 37 2HD1 LEU 37 0.724 5.171 7.947 278 3HD1 LEU 37 3HD1 LEU 37 -0.350 6.377 8.657 279 1HD2 LEU 37 1HD2 LEU 37 -1.100 7.866 6.487 280 2HD2 LEU 37 2HD2 LEU 37 -2.217 6.945 5.479 281 3HD2 LEU 37 3HD2 LEU 37 -0.512 7.046 5.039 282 H LEU 38 H LEU 38 1.123 2.868 3.934 283 HA LEU 38 HA LEU 38 2.703 1.262 5.495 284 1HB LEU 38 1HB LEU 38 1.621 0.873 3.241 285 2HB LEU 38 2HB LEU 38 3.016 1.651 2.510 286 HG LEU 38 HG LEU 38 3.198 -0.835 2.522 287 1HD1 LEU 38 1HD1 LEU 38 5.164 0.982 3.107 288 2HD1 LEU 38 2HD1 LEU 38 5.447 -0.728 2.816 289 3HD1 LEU 38 3HD1 LEU 38 5.300 -0.125 4.466 290 1HD2 LEU 38 1HD2 LEU 38 1.976 -0.878 4.840 291 2HD2 LEU 38 2HD2 LEU 38 3.593 -0.664 5.503 292 3HD2 LEU 38 3HD2 LEU 38 3.226 -2.074 4.513 293 H PHE 39 H PHE 39 4.122 3.328 2.921 294 HA PHE 39 HA PHE 39 6.795 2.901 4.061 295 1HB PHE 39 1HB PHE 39 5.846 4.447 1.640 296 2HB PHE 39 2HB PHE 39 7.498 3.897 1.950 297 HD1 PHE 39 1HD PHE 39 4.045 2.845 1.162 298 HD2 PHE 39 2HD PHE 39 8.093 1.538 1.756 299 HE1 PHE 39 1HE PHE 39 3.445 0.615 0.297 300 HE2 PHE 39 2HE PHE 39 7.501 -0.704 0.867 301 HZ PHE 39 HZ PHE 39 5.172 -1.174 0.145 302 H VAL 40 H VAL 40 4.448 5.529 4.171 303 HA VAL 40 HA VAL 40 6.373 7.649 4.554 304 HB VAL 40 HB VAL 40 4.422 8.793 5.669 305 1HG1 VAL 40 1HG1 VAL 40 4.045 7.414 3.008 306 2HG1 VAL 40 2HG1 VAL 40 4.684 9.032 3.302 307 3HG1 VAL 40 3HG1 VAL 40 2.979 8.689 3.599 308 1HG2 VAL 40 1HG2 VAL 40 3.444 6.776 6.691 309 2HG2 VAL 40 2HG2 VAL 40 3.053 6.153 5.092 310 3HG2 VAL 40 3HG2 VAL 40 2.270 7.616 5.681 311 H ARG 41 H ARG 41 5.430 5.023 6.570 312 HA ARG 41 HA ARG 41 6.238 6.349 9.086 313 1HB ARG 41 1HB ARG 41 5.907 3.392 8.907 314 2HB ARG 41 2HB ARG 41 5.263 4.518 10.097 315 1HG ARG 41 1HG ARG 41 3.890 5.287 7.861 316 2HG ARG 41 2HG ARG 41 4.074 3.556 7.575 317 1HD ARG 41 1HD ARG 41 2.814 4.896 9.992 318 2HD ARG 41 2HD ARG 41 2.037 3.800 8.832 319 HE ARG 41 HE ARG 41 3.906 3.023 10.983 320 1HH1 ARG 41 1HH2 ARG 41 4.936 1.653 8.585 321 2HH1 ARG 41 2HH2 ARG 41 3.990 0.205 8.524 322 1HH2 ARG 41 1HH1 ARG 41 1.545 1.396 10.676 323 2HH2 ARG 41 2HH1 ARG 41 2.070 0.059 9.708 324 H GLY 42 H GLY 42 7.868 5.100 6.479 325 1HA GLY 42 1HA GLY 42 10.436 5.210 7.473 326 2HA GLY 42 2HA GLY 42 9.917 3.573 7.877 327 H ALA 43 H ALA 43 8.159 3.559 5.379 328 HA ALA 43 HA ALA 43 8.420 2.793 3.149 329 1HB ALA 43 1HB ALA 43 9.062 4.836 2.350 330 2HB ALA 43 2HB ALA 43 10.655 4.087 2.226 331 3HB ALA 43 3HB ALA 43 10.247 5.065 3.636 332 H GLY 44 H GLY 44 9.032 0.637 3.099 333 1HA GLY 44 1HA GLY 44 11.102 -0.623 2.230 334 2HA GLY 44 2HA GLY 44 11.891 0.008 3.673 335 H ASN 45 H ASN 45 8.525 -1.058 3.640 336 HA ASN 45 HA ASN 45 9.209 -3.670 4.836 337 1HB ASN 45 1HB ASN 45 8.670 -1.258 6.341 338 2HB ASN 45 2HB ASN 45 7.471 -2.494 6.708 339 1HD2 ASN 45 1HD2 ASN 45 10.804 -3.265 5.724 340 2HD2 ASN 45 2HD2 ASN 45 11.276 -3.909 7.223 341 H CYS 46 H CYS 46 7.906 -4.556 3.162 342 HA CYS 46 HA CYS 46 5.423 -3.896 2.158 343 1HB CYS 46 1HB CYS 46 6.927 -5.931 1.784 344 2HB CYS 46 2HB CYS 46 6.160 -6.644 3.197 345 HA PRO 47 HA PRO 47 2.739 -3.646 5.660 346 1HB PRO 47 1HB PRO 47 0.365 -4.033 4.317 347 2HB PRO 47 2HB PRO 47 1.263 -2.515 4.318 348 1HG PRO 47 1HG PRO 47 1.225 -4.695 2.284 349 2HG PRO 47 2HG PRO 47 1.140 -2.938 2.059 350 1HD PRO 47 1HD PRO 47 3.427 -4.329 1.692 351 2HD PRO 47 2HD PRO 47 3.429 -2.671 2.342 352 H GLU 48 H GLU 48 3.259 -6.397 3.763 353 HA GLU 48 HA GLU 48 1.803 -8.081 5.769 354 1HB GLU 48 1HB GLU 48 1.025 -9.454 3.992 355 2HB GLU 48 2HB GLU 48 0.794 -7.801 3.433 356 1HG GLU 48 1HG GLU 48 3.370 -8.344 2.619 357 2HG GLU 48 2HG GLU 48 2.568 -9.900 2.395 358 H CYS 49 H CYS 49 4.712 -7.735 3.740 359 HA CYS 49 HA CYS 49 5.918 -9.943 5.344 360 1HB CYS 49 1HB CYS 49 6.542 -11.118 3.449 361 2HB CYS 49 2HB CYS 49 5.042 -10.394 2.891 362 H GLY 50 H GLY 50 6.137 -7.129 5.727 363 1HA GLY 50 1HA GLY 50 7.818 -5.337 5.144 364 2HA GLY 50 2HA GLY 50 8.242 -6.159 6.638 365 H THR 51 H THR 51 8.800 -6.325 3.121 366 HA THR 51 HA THR 51 11.211 -7.956 3.441 367 HB THR 51 HB THR 51 9.542 -7.889 1.496 368 HG1 THR 51 1HG THR 51 11.471 -7.749 -0.049 369 1HG2 THR 51 1HG2 THR 51 10.247 -5.160 1.564 370 2HG2 THR 51 2HG2 THR 51 9.219 -5.967 0.380 371 3HG2 THR 51 3HG2 THR 51 10.949 -5.805 0.080 372 HA PRO 52 HA PRO 52 14.044 -4.651 4.071 373 1HB PRO 52 1HB PRO 52 16.254 -5.628 2.762 374 2HB PRO 52 2HB PRO 52 15.713 -6.227 4.344 375 1HG PRO 52 1HG PRO 52 15.272 -7.367 1.615 376 2HG PRO 52 2HG PRO 52 15.686 -8.195 3.125 377 1HD PRO 52 1HD PRO 52 13.166 -8.132 2.115 378 2HD PRO 52 2HD PRO 52 13.497 -8.191 3.860 379 H LEU 53 H LEU 53 12.585 -3.378 2.528 380 HA LEU 53 HA LEU 53 13.461 -3.149 -0.266 381 1HB LEU 53 1HB LEU 53 11.282 -2.300 1.513 382 2HB LEU 53 2HB LEU 53 11.723 -1.076 0.321 383 HG LEU 53 HG LEU 53 11.075 -3.978 -0.296 384 1HD1 LEU 53 1HD1 LEU 53 8.990 -3.148 -1.194 385 2HD1 LEU 53 2HD1 LEU 53 9.476 -1.477 -0.906 386 3HD1 LEU 53 3HD1 LEU 53 9.140 -2.545 0.456 387 1HD2 LEU 53 1HD2 LEU 53 11.042 -1.941 -2.427 388 2HD2 LEU 53 2HD2 LEU 53 11.729 -3.565 -2.437 389 3HD2 LEU 53 3HD2 LEU 53 12.638 -2.226 -1.736 390 H ARG 54 H ARG 54 13.021 -0.618 2.227 391 HA ARG 54 HA ARG 54 14.423 1.184 2.833 392 1HB ARG 54 1HB ARG 54 16.536 0.412 3.077 393 2HB ARG 54 2HB ARG 54 16.061 -1.008 2.152 394 1HG ARG 54 1HG ARG 54 16.698 0.138 0.057 395 2HG ARG 54 2HG ARG 54 17.166 1.565 0.980 396 1HD ARG 54 1HD ARG 54 19.117 0.076 0.399 397 2HD ARG 54 2HD ARG 54 18.900 0.271 2.151 398 HE ARG 54 HE ARG 54 17.842 -1.950 2.187 399 1HH1 ARG 54 1HH1 ARG 54 20.505 -2.072 0.532 400 2HH1 ARG 54 2HH1 ARG 54 20.016 -3.165 -0.719 401 1HH2 ARG 54 1HH2 ARG 54 16.633 -2.882 -0.010 402 2HH2 ARG 54 2HH2 ARG 54 17.823 -3.624 -1.025 403 H LYS 55 H LYS 55 13.315 0.526 -0.205 404 HA LYS 55 HA LYS 55 14.245 3.190 -1.209 405 1HB LYS 55 1HB LYS 55 14.515 2.096 -3.440 406 2HB LYS 55 2HB LYS 55 15.597 1.419 -2.224 407 1HG LYS 55 1HG LYS 55 14.671 -0.479 -3.301 408 2HG LYS 55 2HG LYS 55 13.732 -0.325 -1.815 409 1HD LYS 55 1HD LYS 55 11.837 -0.063 -3.003 410 2HD LYS 55 2HD LYS 55 12.541 1.300 -3.875 411 1HE LYS 55 1HE LYS 55 11.939 -0.434 -5.491 412 2HE LYS 55 2HE LYS 55 13.709 -0.377 -5.375 413 1HZ LYS 55 1HZ LYS 55 13.329 -2.053 -3.463 414 2HZ LYS 55 2HZ LYS 55 13.241 -2.618 -5.064 415 3HZ LYS 55 3HZ LYS 55 11.818 -2.313 -4.188 416 H SER 56 H SER 56 11.635 1.275 -0.409 417 HA SER 56 HA SER 56 9.324 1.487 -0.861 418 1HB SER 56 1HB SER 56 9.015 3.716 -0.676 419 2HB SER 56 2HB SER 56 10.635 4.027 -1.295 420 HG SER 56 HG SER 56 8.797 4.839 -2.576 421 H ASN 57 H ASN 57 8.141 0.451 -2.440 422 HA ASN 57 HA ASN 57 8.735 0.867 -5.305 423 1HB ASN 57 1HB ASN 57 9.225 -1.560 -5.615 424 2HB ASN 57 2HB ASN 57 10.393 -0.790 -4.539 425 1HD2 ASN 57 1HD2 ASN 57 10.015 -3.561 -4.357 426 2HD2 ASN 57 2HD2 ASN 57 9.210 -3.933 -2.908 427 H PHE 58 H PHE 58 6.729 0.898 -6.282 428 HA PHE 58 HA PHE 58 4.701 -1.113 -5.554 429 1HB PHE 58 1HB PHE 58 3.492 1.533 -5.401 430 2HB PHE 58 2HB PHE 58 3.412 0.222 -4.223 431 HD1 PHE 58 1HD PHE 58 4.616 0.309 -2.232 432 HD2 PHE 58 2HD PHE 58 5.590 3.020 -5.412 433 HE1 PHE 58 1HE PHE 58 6.121 1.551 -0.726 434 HE2 PHE 58 2HE PHE 58 7.105 4.261 -3.887 435 HZ PHE 58 HZ PHE 58 7.364 3.513 -1.532 436 H ARG 59 H ARG 59 4.468 -1.733 -7.713 437 HA ARG 59 HA ARG 59 4.109 0.340 -9.810 438 1HB ARG 59 1HB ARG 59 3.763 -1.929 -11.158 439 2HB ARG 59 2HB ARG 59 5.372 -1.419 -10.664 440 1HG ARG 59 1HG ARG 59 5.418 -2.949 -8.843 441 2HG ARG 59 2HG ARG 59 3.673 -3.210 -8.922 442 1HD ARG 59 1HD ARG 59 3.843 -4.670 -10.719 443 2HD ARG 59 2HD ARG 59 5.301 -3.877 -11.352 444 HE ARG 59 HE ARG 59 5.293 -5.571 -8.870 445 1HH1 ARG 59 1HH2 ARG 59 7.491 -3.600 -10.120 446 2HH1 ARG 59 2HH2 ARG 59 8.627 -4.795 -10.651 447 1HH2 ARG 59 1HH1 ARG 59 6.426 -7.446 -10.254 448 2HH2 ARG 59 2HH1 ARG 59 8.023 -6.973 -10.727 449 H VAL 60 H VAL 60 2.118 1.259 -9.582 450 HA VAL 60 HA VAL 60 -0.228 -0.279 -8.757 451 HB VAL 60 HB VAL 60 0.212 1.928 -7.902 452 1HG1 VAL 60 1HG1 VAL 60 1.057 2.445 -10.532 453 2HG1 VAL 60 2HG1 VAL 60 0.993 3.601 -9.202 454 3HG1 VAL 60 3HG1 VAL 60 -0.373 3.452 -10.308 455 1HG2 VAL 60 1HG2 VAL 60 -2.022 2.164 -7.811 456 2HG2 VAL 60 2HG2 VAL 60 -2.206 1.165 -9.252 457 3HG2 VAL 60 3HG2 VAL 60 -1.990 2.908 -9.410 458 H GLN 61 H GLN 61 -2.075 -0.630 -9.872 459 HA GLN 61 HA GLN 61 -2.766 0.279 -12.483 460 1HB GLN 61 1HB GLN 61 -2.173 -1.808 -13.730 461 2HB GLN 61 2HB GLN 61 -0.743 -0.982 -13.112 462 1HG GLN 61 1HG GLN 61 -0.547 -2.525 -11.280 463 2HG GLN 61 2HG GLN 61 -2.132 -3.222 -11.619 464 1HE2 GLN 61 1HE2 GLN 61 -2.043 -5.136 -12.807 465 2HE2 GLN 61 2HE2 GLN 61 -0.781 -5.581 -13.850 466 H LEU 62 H LEU 62 -4.842 -0.665 -13.083 467 HA LEU 62 HA LEU 62 -5.926 -2.762 -11.247 468 1HB LEU 62 1HB LEU 62 -6.338 -0.048 -10.919 469 2HB LEU 62 2HB LEU 62 -7.759 -0.537 -11.835 470 HG LEU 62 HG LEU 62 -8.214 -2.312 -10.169 471 1HD1 LEU 62 1HD1 LEU 62 -5.520 -1.788 -9.424 472 2HD1 LEU 62 2HD1 LEU 62 -6.610 -2.992 -8.743 473 3HD1 LEU 62 3HD1 LEU 62 -6.527 -1.376 -8.039 474 1HD2 LEU 62 1HD2 LEU 62 -8.309 -0.506 -8.132 475 2HD2 LEU 62 2HD2 LEU 62 -9.463 -0.529 -9.467 476 3HD2 LEU 62 3HD2 LEU 62 -8.088 0.575 -9.508 477 H PHE 63 H PHE 63 -6.639 -4.328 -12.650 478 HA PHE 63 HA PHE 63 -8.293 -3.472 -14.987 479 1HB PHE 63 1HB PHE 63 -5.682 -4.131 -15.247 480 2HB PHE 63 2HB PHE 63 -6.397 -5.741 -15.342 481 HD1 PHE 63 1HD PHE 63 -4.984 -4.086 -17.588 482 HD2 PHE 63 2HD PHE 63 -9.098 -4.685 -16.508 483 HE1 PHE 63 1HE PHE 63 -5.663 -3.641 -19.931 484 HE2 PHE 63 2HE PHE 63 -9.777 -4.241 -18.851 485 HZ PHE 63 HZ PHE 63 -8.060 -3.719 -20.562 486 H GLU 64 H GLU 64 -8.731 -4.808 -12.260 487 HA GLU 64 HA GLU 64 -10.655 -6.796 -13.156 488 1HB GLU 64 1HB GLU 64 -8.312 -7.851 -13.342 489 2HB GLU 64 2HB GLU 64 -8.285 -7.819 -11.578 490 1HG GLU 64 1HG GLU 64 -9.186 -9.930 -11.959 491 2HG GLU 64 2HG GLU 64 -10.657 -8.964 -11.843 492 H ASP 65 H ASP 65 -12.249 -6.820 -11.605 493 HA ASP 65 HA ASP 65 -11.652 -5.602 -8.955 494 1HB ASP 65 1HB ASP 65 -14.174 -6.277 -10.497 495 2HB ASP 65 2HB ASP 65 -14.191 -5.595 -8.869 Start of MODEL 7 1 1H MET 1 1HT MET 1 -7.246 -7.348 -6.497 2 2H MET 1 2HT MET 1 -6.505 -6.148 -7.443 3 3H MET 1 3HT MET 1 -6.743 -7.705 -8.077 4 HA MET 1 HA MET 1 -8.458 -6.479 -9.054 5 1HB MET 1 1HB MET 1 -9.501 -7.689 -6.471 6 2HB MET 1 2HB MET 1 -10.411 -7.483 -7.968 7 1HG MET 1 1HG MET 1 -8.076 -8.851 -8.718 8 2HG MET 1 2HG MET 1 -8.582 -9.609 -7.209 9 1HE MET 1 1HE MET 1 -11.050 -7.792 -9.752 10 2HE MET 1 2HE MET 1 -11.128 -9.046 -10.986 11 3HE MET 1 3HE MET 1 -9.583 -8.294 -10.601 12 H ASP 2 H ASP 2 -10.822 -5.687 -7.451 13 HA ASP 2 HA ASP 2 -9.801 -3.173 -6.175 14 1HB ASP 2 1HB ASP 2 -11.529 -1.953 -7.397 15 2HB ASP 2 2HB ASP 2 -10.552 -2.870 -8.546 16 H ASP 3 H ASP 3 -10.609 -5.491 -4.737 17 HA ASP 3 HA ASP 3 -13.027 -4.421 -3.358 18 1HB ASP 3 1HB ASP 3 -13.707 -6.115 -5.059 19 2HB ASP 3 2HB ASP 3 -12.649 -7.291 -4.278 20 H GLN 4 H GLN 4 -11.191 -7.476 -3.118 21 HA GLN 4 HA GLN 4 -10.712 -6.892 -0.235 22 1HB GLN 4 1HB GLN 4 -11.795 -9.017 -1.076 23 2HB GLN 4 2HB GLN 4 -10.265 -9.420 -1.855 24 1HG GLN 4 1HG GLN 4 -9.231 -9.035 0.506 25 2HG GLN 4 2HG GLN 4 -10.888 -9.203 1.087 26 1HE2 GLN 4 1HE2 GLN 4 -11.592 -11.325 1.430 27 2HE2 GLN 4 2HE2 GLN 4 -10.837 -12.710 0.800 28 H GLY 5 H GLY 5 -9.134 -5.414 -2.121 29 1HA GLY 5 1HA GLY 5 -6.503 -6.788 -2.150 30 2HA GLY 5 2HA GLY 5 -6.891 -5.293 -3.005 31 H CYS 6 H CYS 6 -7.066 -3.310 -1.715 32 HA CYS 6 HA CYS 6 -5.067 -2.574 -0.095 33 1HB CYS 6 1HB CYS 6 -6.680 -0.982 -0.701 34 2HB CYS 6 2HB CYS 6 -8.005 -1.945 -0.091 35 HA PRO 7 HA PRO 7 -5.771 -5.354 3.446 36 1HB PRO 7 1HB PRO 7 -3.125 -5.562 4.104 37 2HB PRO 7 2HB PRO 7 -3.896 -6.582 2.874 38 1HG PRO 7 1HG PRO 7 -2.143 -4.200 2.559 39 2HG PRO 7 2HG PRO 7 -2.254 -5.660 1.566 40 1HD PRO 7 1HD PRO 7 -3.379 -3.215 0.931 41 2HD PRO 7 2HD PRO 7 -3.895 -4.773 0.265 42 H ARG 8 H ARG 8 -3.240 -2.801 3.416 43 HA ARG 8 HA ARG 8 -3.195 -2.132 6.144 44 1HB ARG 8 1HB ARG 8 -1.922 -1.349 3.915 45 2HB ARG 8 2HB ARG 8 -2.986 0.041 4.104 46 1HG ARG 8 1HG ARG 8 -2.108 -0.163 6.640 47 2HG ARG 8 2HG ARG 8 -0.723 -0.857 5.806 48 1HD ARG 8 1HD ARG 8 -0.599 1.642 6.128 49 2HD ARG 8 2HD ARG 8 -0.474 1.122 4.436 50 HE ARG 8 HE ARG 8 -2.651 2.028 4.061 51 1HH1 ARG 8 1HH1 ARG 8 -3.679 0.755 6.726 52 2HH1 ARG 8 2HH1 ARG 8 -4.246 2.179 7.527 53 1HH2 ARG 8 1HH2 ARG 8 -2.650 4.361 5.362 54 2HH2 ARG 8 2HH2 ARG 8 -3.666 4.218 6.756 55 H CYS 9 H CYS 9 -5.128 -0.368 3.642 56 HA CYS 9 HA CYS 9 -6.898 0.571 5.898 57 1HB CYS 9 1HB CYS 9 -7.341 2.240 3.703 58 2HB CYS 9 2HB CYS 9 -6.362 2.621 5.108 59 H LYS 10 H LYS 10 -7.392 -1.933 4.568 60 HA LYS 10 HA LYS 10 -8.830 -2.454 2.463 61 1HB LYS 10 1HB LYS 10 -9.991 -4.041 3.673 62 2HB LYS 10 2HB LYS 10 -8.761 -3.584 4.845 63 1HG LYS 10 1HG LYS 10 -10.474 -1.860 5.703 64 2HG LYS 10 2HG LYS 10 -11.662 -2.764 4.759 65 1HD LYS 10 1HD LYS 10 -9.865 -3.931 6.909 66 2HD LYS 10 2HD LYS 10 -11.580 -3.566 7.098 67 1HE LYS 10 1HE LYS 10 -11.595 -5.105 4.815 68 2HE LYS 10 2HE LYS 10 -10.287 -5.854 5.751 69 1HZ LYS 10 1HZ LYS 10 -12.443 -6.755 6.399 70 2HZ LYS 10 2HZ LYS 10 -13.017 -5.194 6.749 71 3HZ LYS 10 3HZ LYS 10 -11.769 -5.872 7.680 72 H THR 11 H THR 11 -9.561 -0.569 1.328 73 HA THR 11 HA THR 11 -12.379 -0.033 1.669 74 HB THR 11 HB THR 11 -10.922 1.150 3.574 75 HG1 THR 11 1HG THR 11 -12.994 1.537 3.724 76 1HG2 THR 11 1HG2 THR 11 -10.821 3.093 1.247 77 2HG2 THR 11 2HG2 THR 11 -9.453 2.431 2.147 78 3HG2 THR 11 3HG2 THR 11 -10.562 3.557 2.928 79 H THR 12 H THR 12 -9.386 1.529 0.564 80 HA THR 12 HA THR 12 -10.151 3.218 -1.410 81 HB THR 12 HB THR 12 -7.966 2.498 -2.451 82 HG1 THR 12 1HG THR 12 -8.495 0.277 -1.308 83 1HG2 THR 12 1HG2 THR 12 -7.925 4.211 -0.889 84 2HG2 THR 12 2HG2 THR 12 -6.855 3.006 -0.181 85 3HG2 THR 12 3HG2 THR 12 -8.506 3.166 0.408 86 H LYS 13 H LYS 13 -8.606 0.986 -3.358 87 HA LYS 13 HA LYS 13 -10.052 0.909 -5.569 88 1HB LYS 13 1HB LYS 13 -9.124 -1.192 -6.018 89 2HB LYS 13 2HB LYS 13 -8.113 -0.579 -4.723 90 1HG LYS 13 1HG LYS 13 -10.518 -2.333 -4.186 91 2HG LYS 13 2HG LYS 13 -8.915 -2.996 -4.478 92 1HD LYS 13 1HD LYS 13 -8.008 -1.868 -2.562 93 2HD LYS 13 2HD LYS 13 -9.476 -0.918 -2.348 94 1HE LYS 13 1HE LYS 13 -10.348 -3.596 -2.347 95 2HE LYS 13 2HE LYS 13 -8.874 -3.589 -1.361 96 1HZ LYS 13 1HZ LYS 13 -10.628 -1.309 -0.983 97 2HZ LYS 13 2HZ LYS 13 -9.821 -2.257 0.172 98 3HZ LYS 13 3HZ LYS 13 -11.293 -2.787 -0.488 99 H TYR 14 H TYR 14 -11.243 -0.880 -2.690 100 HA TYR 14 HA TYR 14 -13.548 -1.996 -4.018 101 1HB TYR 14 1HB TYR 14 -12.634 -2.848 -1.902 102 2HB TYR 14 2HB TYR 14 -12.980 -1.312 -1.108 103 HD1 TYR 14 1HD TYR 14 -15.508 -0.490 -1.349 104 HD2 TYR 14 2HD TYR 14 -14.201 -4.563 -1.748 105 HE1 TYR 14 1HE TYR 14 -17.810 -1.276 -0.868 106 HE2 TYR 14 2HE TYR 14 -16.504 -5.348 -1.264 107 HH TYR 14 HH TYR 14 -19.185 -3.345 -1.367 108 H ARG 15 H ARG 15 -13.071 0.900 -1.995 109 HA ARG 15 HA ARG 15 -15.788 1.907 -2.573 110 1HB ARG 15 1HB ARG 15 -13.446 2.568 -0.843 111 2HB ARG 15 2HB ARG 15 -14.545 3.876 -1.217 112 1HG ARG 15 1HG ARG 15 -15.983 3.080 0.335 113 2HG ARG 15 2HG ARG 15 -16.105 1.567 -0.565 114 1HD ARG 15 1HD ARG 15 -13.749 2.110 1.242 115 2HD ARG 15 2HD ARG 15 -15.252 1.417 1.880 116 HE ARG 15 HE ARG 15 -13.830 0.180 -0.462 117 1HH1 ARG 15 1HH1 ARG 15 -16.343 -0.314 1.637 118 2HH1 ARG 15 2HH1 ARG 15 -15.828 -1.867 2.205 119 1HH2 ARG 15 1HH2 ARG 15 -12.709 -1.678 0.703 120 2HH2 ARG 15 2HH2 ARG 15 -13.772 -2.639 1.676 121 H ASN 16 H ASN 16 -12.418 2.946 -3.079 122 HA ASN 16 HA ASN 16 -13.245 5.027 -5.000 123 1HB ASN 16 1HB ASN 16 -11.031 4.365 -3.242 124 2HB ASN 16 2HB ASN 16 -10.450 4.765 -4.860 125 1HD2 ASN 16 1HD2 ASN 16 -9.662 6.673 -3.223 126 2HD2 ASN 16 2HD2 ASN 16 -10.678 8.031 -3.216 127 HA PRO 17 HA PRO 17 -12.263 2.216 -8.320 128 1HB PRO 17 1HB PRO 17 -13.245 3.810 -10.316 129 2HB PRO 17 2HB PRO 17 -14.290 2.891 -9.217 130 1HG PRO 17 1HG PRO 17 -13.805 5.773 -9.368 131 2HG PRO 17 2HG PRO 17 -15.118 4.895 -8.576 132 1HD PRO 17 1HD PRO 17 -12.729 6.034 -7.399 133 2HD PRO 17 2HD PRO 17 -14.123 5.285 -6.589 134 H SER 18 H SER 18 -11.924 5.560 -9.506 135 HA SER 18 HA SER 18 -9.875 5.390 -11.280 136 1HB SER 18 1HB SER 18 -11.174 7.383 -10.094 137 2HB SER 18 2HB SER 18 -9.668 7.521 -9.191 138 HG SER 18 HG SER 18 -9.682 8.767 -11.132 139 H LEU 19 H LEU 19 -9.365 5.486 -7.733 140 HA LEU 19 HA LEU 19 -6.496 5.467 -7.881 141 1HB LEU 19 1HB LEU 19 -6.728 5.617 -5.625 142 2HB LEU 19 2HB LEU 19 -8.430 5.832 -5.998 143 HG LEU 19 HG LEU 19 -7.065 3.248 -5.188 144 1HD1 LEU 19 1HD1 LEU 19 -8.938 5.226 -3.945 145 2HD1 LEU 19 2HD1 LEU 19 -7.563 4.414 -3.223 146 3HD1 LEU 19 3HD1 LEU 19 -9.069 3.536 -3.479 147 1HD2 LEU 19 1HD2 LEU 19 -9.710 2.696 -5.202 148 2HD2 LEU 19 2HD2 LEU 19 -8.651 2.322 -6.558 149 3HD2 LEU 19 3HD2 LEU 19 -9.632 3.790 -6.582 150 H LYS 20 H LYS 20 -5.211 3.441 -6.920 151 HA LYS 20 HA LYS 20 -6.443 0.853 -7.673 152 1HB LYS 20 1HB LYS 20 -4.450 0.518 -9.297 153 2HB LYS 20 2HB LYS 20 -5.767 1.565 -9.828 154 1HG LYS 20 1HG LYS 20 -4.523 3.542 -9.312 155 2HG LYS 20 2HG LYS 20 -3.311 2.627 -8.415 156 1HD LYS 20 1HD LYS 20 -2.455 3.238 -10.641 157 2HD LYS 20 2HD LYS 20 -2.641 1.489 -10.514 158 1HE LYS 20 1HE LYS 20 -3.648 1.956 -12.599 159 2HE LYS 20 2HE LYS 20 -5.046 1.971 -11.506 160 1HZ LYS 20 1HZ LYS 20 -5.237 4.014 -12.533 161 2HZ LYS 20 2HZ LYS 20 -3.559 4.227 -12.685 162 3HZ LYS 20 3HZ LYS 20 -4.311 4.436 -11.176 163 H LEU 21 H LEU 21 -4.577 -0.916 -7.538 164 HA LEU 21 HA LEU 21 -3.119 -0.316 -5.014 165 1HB LEU 21 1HB LEU 21 -4.294 -2.758 -6.312 166 2HB LEU 21 2HB LEU 21 -3.087 -2.932 -5.039 167 HG LEU 21 HG LEU 21 -4.485 -2.023 -3.407 168 1HD1 LEU 21 1HD1 LEU 21 -6.094 -0.736 -5.640 169 2HD1 LEU 21 2HD1 LEU 21 -4.976 0.093 -4.556 170 3HD1 LEU 21 3HD1 LEU 21 -6.464 -0.605 -3.920 171 1HD2 LEU 21 1HD2 LEU 21 -5.512 -4.087 -4.010 172 2HD2 LEU 21 2HD2 LEU 21 -6.223 -3.392 -5.467 173 3HD2 LEU 21 3HD2 LEU 21 -6.834 -2.927 -3.879 174 H MET 22 H MET 22 -0.915 -0.653 -4.832 175 HA MET 22 HA MET 22 0.497 -1.369 -7.355 176 1HB MET 22 1HB MET 22 2.076 0.058 -5.371 177 2HB MET 22 2HB MET 22 1.762 0.494 -7.035 178 1HG MET 22 1HG MET 22 -0.340 1.545 -6.423 179 2HG MET 22 2HG MET 22 -0.181 0.983 -4.764 180 1HE MET 22 1HE MET 22 2.710 2.443 -7.109 181 2HE MET 22 2HE MET 22 3.222 1.483 -5.724 182 3HE MET 22 3HE MET 22 3.593 3.203 -5.780 183 H VAL 23 H VAL 23 1.664 -3.191 -7.281 184 HA VAL 23 HA VAL 23 2.041 -4.601 -4.705 185 HB VAL 23 HB VAL 23 2.207 -5.183 -7.643 186 1HG1 VAL 23 1HG1 VAL 23 3.337 -6.989 -5.485 187 2HG1 VAL 23 2HG1 VAL 23 4.295 -6.127 -6.688 188 3HG1 VAL 23 3HG1 VAL 23 3.177 -7.394 -7.193 189 1HG2 VAL 23 1HG2 VAL 23 0.244 -6.171 -7.172 190 2HG2 VAL 23 2HG2 VAL 23 0.414 -5.679 -5.488 191 3HG2 VAL 23 3HG2 VAL 23 1.046 -7.238 -6.018 192 H ASN 24 H ASN 24 4.345 -5.731 -4.535 193 HA ASN 24 HA ASN 24 6.417 -3.671 -5.230 194 1HB ASN 24 1HB ASN 24 7.473 -4.739 -3.051 195 2HB ASN 24 2HB ASN 24 6.235 -3.488 -2.931 196 1HD2 ASN 24 1HD2 ASN 24 4.942 -4.098 -1.179 197 2HD2 ASN 24 2HD2 ASN 24 4.284 -5.645 -0.952 198 H VAL 25 H VAL 25 8.685 -4.675 -4.952 199 HA VAL 25 HA VAL 25 9.360 -6.408 -6.948 200 HB VAL 25 HB VAL 25 11.042 -5.278 -5.719 201 1HG1 VAL 25 1HG1 VAL 25 10.737 -6.803 -3.196 202 2HG1 VAL 25 2HG1 VAL 25 9.470 -5.625 -3.522 203 3HG1 VAL 25 3HG1 VAL 25 11.152 -5.109 -3.444 204 1HG2 VAL 25 1HG2 VAL 25 12.623 -6.947 -5.474 205 2HG2 VAL 25 2HG2 VAL 25 11.387 -7.816 -6.386 206 3HG2 VAL 25 3HG2 VAL 25 11.506 -8.026 -4.638 207 H CYS 26 H CYS 26 8.952 -7.623 -3.557 208 HA CYS 26 HA CYS 26 9.126 -10.368 -4.235 209 1HB CYS 26 1HB CYS 26 7.689 -10.597 -2.087 210 2HB CYS 26 2HB CYS 26 9.248 -9.790 -1.949 211 H GLY 27 H GLY 27 6.629 -8.101 -4.899 212 1HA GLY 27 1HA GLY 27 4.756 -8.434 -6.302 213 2HA GLY 27 2HA GLY 27 5.120 -10.156 -6.324 214 H HIS 28 H HIS 28 4.050 -7.696 -3.921 215 HA HIS 28 HA HIS 28 2.125 -9.770 -2.944 216 1HB HIS 28 1HB HIS 28 3.999 -7.909 -1.597 217 2HB HIS 28 2HB HIS 28 2.417 -8.083 -0.832 218 HD2 HIS 28 2HD HIS 28 1.809 -11.197 -1.192 219 HE1 HIS 28 1HE HIS 28 5.673 -11.973 0.298 220 HE2 HIS 28 2HE HIS 28 3.404 -12.988 -0.180 221 H THR 29 H THR 29 1.774 -6.589 -1.616 222 HA THR 29 HA THR 29 0.097 -5.452 -3.670 223 HB THR 29 HB THR 29 -1.056 -7.354 -1.665 224 HG1 THR 29 1HG THR 29 -1.032 -8.102 -3.697 225 1HG2 THR 29 1HG2 THR 29 -2.371 -5.543 -0.978 226 2HG2 THR 29 2HG2 THR 29 -3.332 -6.198 -2.304 227 3HG2 THR 29 3HG2 THR 29 -2.322 -4.776 -2.566 228 H LEU 30 H LEU 30 -0.723 -3.428 -3.068 229 HA LEU 30 HA LEU 30 -0.862 -2.478 -0.326 230 1HB LEU 30 1HB LEU 30 1.636 -2.722 -1.061 231 2HB LEU 30 2HB LEU 30 1.339 -1.261 -1.984 232 HG LEU 30 HG LEU 30 0.547 -0.184 0.151 233 1HD1 LEU 30 1HD1 LEU 30 1.948 -2.260 1.704 234 2HD1 LEU 30 2HD1 LEU 30 0.323 -2.665 1.144 235 3HD1 LEU 30 3HD1 LEU 30 0.583 -1.251 2.168 236 1HD2 LEU 30 1HD2 LEU 30 2.759 0.254 0.964 237 2HD2 LEU 30 2HD2 LEU 30 2.931 -0.066 -0.763 238 3HD2 LEU 30 3HD2 LEU 30 3.331 -1.316 0.413 239 H CYS 31 H CYS 31 -2.896 -1.718 -1.090 240 HA CYS 31 HA CYS 31 -3.505 -0.339 -3.430 241 1HB CYS 31 1HB CYS 31 -5.499 -0.192 -2.390 242 2HB CYS 31 2HB CYS 31 -4.729 -1.041 -1.074 243 H GLU 32 H GLU 32 -4.003 1.962 -3.692 244 HA GLU 32 HA GLU 32 -1.855 3.730 -3.437 245 1HB GLU 32 1HB GLU 32 -4.116 5.356 -3.017 246 2HB GLU 32 2HB GLU 32 -3.398 4.948 -4.561 247 1HG GLU 32 1HG GLU 32 -5.826 4.529 -4.496 248 2HG GLU 32 2HG GLU 32 -4.889 3.097 -4.866 249 H SER 33 H SER 33 -4.642 3.618 -1.183 250 HA SER 33 HA SER 33 -3.537 5.227 0.864 251 1HB SER 33 1HB SER 33 -5.648 2.996 0.986 252 2HB SER 33 2HB SER 33 -5.416 4.300 2.167 253 HG SER 33 HG SER 33 -6.016 5.802 0.699 254 H CYS 34 H CYS 34 -2.693 2.006 -0.063 255 HA CYS 34 HA CYS 34 -1.743 1.292 2.654 256 1HB CYS 34 1HB CYS 34 -1.888 -0.070 -0.033 257 2HB CYS 34 2HB CYS 34 -0.900 -0.724 1.246 258 H VAL 35 H VAL 35 -0.447 1.899 -0.619 259 HA VAL 35 HA VAL 35 2.315 1.730 0.007 260 HB VAL 35 HB VAL 35 0.581 2.546 -2.164 261 1HG1 VAL 35 1HG1 VAL 35 2.935 4.317 -1.538 262 2HG1 VAL 35 2HG1 VAL 35 1.328 4.774 -2.105 263 3HG1 VAL 35 3HG1 VAL 35 2.471 4.013 -3.213 264 1HG2 VAL 35 1HG2 VAL 35 1.902 0.679 -2.551 265 2HG2 VAL 35 2HG2 VAL 35 3.322 1.407 -1.809 266 3HG2 VAL 35 3HG2 VAL 35 2.801 1.931 -3.404 267 H ASP 36 H ASP 36 0.196 4.626 -0.022 268 HA ASP 36 HA ASP 36 2.178 6.505 0.741 269 1HB ASP 36 1HB ASP 36 0.047 7.578 1.924 270 2HB ASP 36 2HB ASP 36 0.179 7.506 0.171 271 H LEU 37 H LEU 37 -0.080 4.861 3.103 272 HA LEU 37 HA LEU 37 1.300 5.869 5.373 273 1HB LEU 37 1HB LEU 37 -0.879 4.226 4.801 274 2HB LEU 37 2HB LEU 37 0.214 3.199 5.729 275 HG LEU 37 HG LEU 37 0.414 5.387 7.234 276 1HD1 LEU 37 1HD1 LEU 37 -1.656 6.056 5.382 277 2HD1 LEU 37 2HD1 LEU 37 -1.058 7.009 6.741 278 3HD1 LEU 37 3HD1 LEU 37 -2.388 5.875 6.977 279 1HD2 LEU 37 1HD2 LEU 37 -0.565 3.978 8.692 280 2HD2 LEU 37 2HD2 LEU 37 -1.066 2.964 7.340 281 3HD2 LEU 37 3HD2 LEU 37 -2.132 4.239 7.928 282 H LEU 38 H LEU 38 1.627 2.705 3.786 283 HA LEU 38 HA LEU 38 3.558 1.406 5.232 284 1HB LEU 38 1HB LEU 38 2.421 0.944 2.935 285 2HB LEU 38 2HB LEU 38 3.816 1.766 2.244 286 HG LEU 38 HG LEU 38 4.418 -0.519 2.219 287 1HD1 LEU 38 1HD1 LEU 38 6.257 -0.683 3.792 288 2HD1 LEU 38 2HD1 LEU 38 5.508 0.503 4.861 289 3HD1 LEU 38 3HD1 LEU 38 6.120 1.000 3.284 290 1HD2 LEU 38 1HD2 LEU 38 3.082 -1.862 3.465 291 2HD2 LEU 38 2HD2 LEU 38 2.743 -0.581 4.629 292 3HD2 LEU 38 3HD2 LEU 38 4.209 -1.550 4.785 293 H PHE 39 H PHE 39 4.185 4.015 2.890 294 HA PHE 39 HA PHE 39 7.061 4.038 3.517 295 1HB PHE 39 1HB PHE 39 5.420 5.867 1.765 296 2HB PHE 39 2HB PHE 39 7.146 5.508 1.621 297 HD1 PHE 39 1HD PHE 39 6.735 2.505 2.378 298 HD2 PHE 39 2HD PHE 39 4.898 5.082 -0.524 299 HE1 PHE 39 1HE PHE 39 6.166 0.533 1.000 300 HE2 PHE 39 2HE PHE 39 4.330 3.101 -1.909 301 HZ PHE 39 HZ PHE 39 4.952 0.831 -1.128 302 H VAL 40 H VAL 40 4.222 6.122 4.172 303 HA VAL 40 HA VAL 40 5.851 8.327 5.157 304 HB VAL 40 HB VAL 40 3.765 9.275 5.807 305 1HG1 VAL 40 1HG1 VAL 40 2.274 8.010 3.821 306 2HG1 VAL 40 2HG1 VAL 40 3.950 7.835 3.303 307 3HG1 VAL 40 3HG1 VAL 40 3.291 9.436 3.628 308 1HG2 VAL 40 1HG2 VAL 40 1.707 7.647 5.792 309 2HG2 VAL 40 2HG2 VAL 40 2.739 7.742 7.219 310 3HG2 VAL 40 3HG2 VAL 40 2.933 6.414 6.075 311 H ARG 41 H ARG 41 4.962 5.280 6.442 312 HA ARG 41 HA ARG 41 5.294 6.108 9.266 313 1HB ARG 41 1HB ARG 41 4.973 3.332 8.096 314 2HB ARG 41 2HB ARG 41 4.555 3.872 9.721 315 1HG ARG 41 1HG ARG 41 3.207 5.441 7.647 316 2HG ARG 41 2HG ARG 41 2.818 3.725 7.551 317 1HD ARG 41 1HD ARG 41 2.511 5.530 9.978 318 2HD ARG 41 2HD ARG 41 1.219 4.717 9.072 319 HE ARG 41 HE ARG 41 2.666 3.499 11.169 320 1HH1 ARG 41 1HH2 ARG 41 0.805 2.722 8.522 321 2HH1 ARG 41 2HH2 ARG 41 1.399 1.106 8.339 322 1HH2 ARG 41 1HH1 ARG 41 3.955 1.502 10.648 323 2HH2 ARG 41 2HH1 ARG 41 3.182 0.415 9.542 324 H GLY 42 H GLY 42 7.052 4.427 6.701 325 1HA GLY 42 1HA GLY 42 9.580 4.785 8.065 326 2HA GLY 42 2HA GLY 42 9.052 3.104 8.130 327 H ALA 43 H ALA 43 7.814 2.931 5.583 328 HA ALA 43 HA ALA 43 8.338 2.655 3.286 329 1HB ALA 43 1HB ALA 43 9.458 4.444 2.352 330 2HB ALA 43 2HB ALA 43 10.732 4.412 3.572 331 3HB ALA 43 3HB ALA 43 9.167 5.131 3.950 332 H GLY 44 H GLY 44 9.127 0.576 3.041 333 1HA GLY 44 1HA GLY 44 11.300 -0.521 2.316 334 2HA GLY 44 2HA GLY 44 11.973 0.100 3.823 335 H ASN 45 H ASN 45 8.692 -1.170 3.581 336 HA ASN 45 HA ASN 45 9.496 -3.781 4.714 337 1HB ASN 45 1HB ASN 45 7.856 -1.736 6.244 338 2HB ASN 45 2HB ASN 45 8.231 -3.369 6.794 339 1HD2 ASN 45 1HD2 ASN 45 10.427 -3.804 7.509 340 2HD2 ASN 45 2HD2 ASN 45 11.549 -2.558 7.766 341 H CYS 46 H CYS 46 8.343 -4.759 2.987 342 HA CYS 46 HA CYS 46 5.936 -4.263 1.780 343 1HB CYS 46 1HB CYS 46 7.523 -6.261 1.637 344 2HB CYS 46 2HB CYS 46 6.638 -6.943 2.993 345 HA PRO 47 HA PRO 47 2.813 -3.940 4.890 346 1HB PRO 47 1HB PRO 47 0.667 -4.649 3.320 347 2HB PRO 47 2HB PRO 47 1.490 -3.103 3.216 348 1HG PRO 47 1HG PRO 47 1.962 -5.589 1.602 349 2HG PRO 47 2HG PRO 47 1.629 -3.958 1.011 350 1HD PRO 47 1HD PRO 47 4.113 -4.827 1.117 351 2HD PRO 47 2HD PRO 47 3.749 -3.180 1.669 352 H GLU 48 H GLU 48 3.805 -6.869 3.470 353 HA GLU 48 HA GLU 48 2.240 -8.363 5.521 354 1HB GLU 48 1HB GLU 48 1.787 -10.058 3.668 355 2HB GLU 48 2HB GLU 48 0.925 -8.531 3.553 356 1HG GLU 48 1HG GLU 48 1.736 -8.824 1.370 357 2HG GLU 48 2HG GLU 48 2.965 -7.783 2.087 358 H CYS 49 H CYS 49 4.996 -8.556 3.188 359 HA CYS 49 HA CYS 49 6.126 -10.685 4.974 360 1HB CYS 49 1HB CYS 49 7.100 -11.665 3.101 361 2HB CYS 49 2HB CYS 49 5.634 -11.018 2.400 362 H GLY 50 H GLY 50 6.234 -7.565 4.919 363 1HA GLY 50 1HA GLY 50 7.892 -5.868 5.106 364 2HA GLY 50 2HA GLY 50 8.397 -6.964 6.388 365 H THR 51 H THR 51 8.645 -7.305 2.821 366 HA THR 51 HA THR 51 11.295 -8.411 2.959 367 HB THR 51 HB THR 51 9.746 -8.731 1.073 368 HG1 THR 51 1HG THR 51 11.779 -8.956 0.388 369 1HG2 THR 51 1HG2 THR 51 10.065 -6.242 -0.292 370 2HG2 THR 51 2HG2 THR 51 9.461 -5.905 1.330 371 3HG2 THR 51 3HG2 THR 51 8.572 -6.995 0.267 372 HA PRO 52 HA PRO 52 13.698 -4.772 3.463 373 1HB PRO 52 1HB PRO 52 15.989 -5.532 2.158 374 2HB PRO 52 2HB PRO 52 15.532 -6.146 3.759 375 1HG PRO 52 1HG PRO 52 15.226 -7.406 1.069 376 2HG PRO 52 2HG PRO 52 15.705 -8.140 2.608 377 1HD PRO 52 1HD PRO 52 13.198 -8.348 1.549 378 2HD PRO 52 2HD PRO 52 13.526 -8.394 3.296 379 H LEU 53 H LEU 53 12.047 -3.765 1.840 380 HA LEU 53 HA LEU 53 12.601 -3.602 -0.951 381 1HB LEU 53 1HB LEU 53 11.173 -1.902 1.096 382 2HB LEU 53 2HB LEU 53 11.237 -1.409 -0.598 383 HG LEU 53 HG LEU 53 10.079 -3.970 0.539 384 1HD1 LEU 53 1HD1 LEU 53 8.023 -3.125 -0.586 385 2HD1 LEU 53 2HD1 LEU 53 8.898 -1.659 -1.027 386 3HD1 LEU 53 3HD1 LEU 53 8.600 -2.031 0.671 387 1HD2 LEU 53 1HD2 LEU 53 11.144 -3.343 -2.129 388 2HD2 LEU 53 2HD2 LEU 53 9.478 -3.922 -2.155 389 3HD2 LEU 53 3HD2 LEU 53 10.743 -4.906 -1.419 390 H ARG 54 H ARG 54 12.638 -0.378 0.087 391 HA ARG 54 HA ARG 54 15.355 0.123 0.711 392 1HB ARG 54 1HB ARG 54 14.907 -0.897 -1.921 393 2HB ARG 54 2HB ARG 54 15.443 0.777 -2.071 394 1HG ARG 54 1HG ARG 54 17.022 -0.445 -0.039 395 2HG ARG 54 2HG ARG 54 17.000 -1.544 -1.419 396 1HD ARG 54 1HD ARG 54 17.327 0.978 -2.582 397 2HD ARG 54 2HD ARG 54 18.355 1.029 -1.135 398 HE ARG 54 HE ARG 54 18.566 -1.485 -2.616 399 1HH1 ARG 54 1HH2 ARG 54 19.155 1.301 -4.107 400 2HH1 ARG 54 2HH2 ARG 54 20.885 1.226 -4.095 401 1HH2 ARG 54 1HH1 ARG 54 21.021 -1.392 -1.827 402 2HH2 ARG 54 2HH1 ARG 54 21.942 -0.298 -2.804 403 H LYS 55 H LYS 55 12.852 1.301 -1.580 404 HA LYS 55 HA LYS 55 12.819 3.889 -0.140 405 1HB LYS 55 1HB LYS 55 13.607 5.158 -1.968 406 2HB LYS 55 2HB LYS 55 14.663 3.749 -1.963 407 1HG LYS 55 1HG LYS 55 12.298 4.276 -3.779 408 2HG LYS 55 2HG LYS 55 13.987 4.081 -4.236 409 1HD LYS 55 1HD LYS 55 13.865 1.725 -3.321 410 2HD LYS 55 2HD LYS 55 12.126 1.955 -3.142 411 1HE LYS 55 1HE LYS 55 12.947 0.844 -5.335 412 2HE LYS 55 2HE LYS 55 11.811 2.198 -5.499 413 1HZ LYS 55 1HZ LYS 55 14.712 2.710 -5.338 414 2HZ LYS 55 2HZ LYS 55 13.498 3.643 -6.076 415 3HZ LYS 55 3HZ LYS 55 14.044 2.213 -6.816 416 H SER 56 H SER 56 10.833 1.786 -0.544 417 HA SER 56 HA SER 56 8.498 1.756 -0.938 418 1HB SER 56 1HB SER 56 8.595 4.429 -2.249 419 2HB SER 56 2HB SER 56 7.492 3.825 -1.016 420 HG SER 56 HG SER 56 8.747 5.170 0.100 421 H ASN 57 H ASN 57 9.602 0.228 -2.687 422 HA ASN 57 HA ASN 57 9.223 1.262 -5.458 423 1HB ASN 57 1HB ASN 57 10.414 -0.855 -6.024 424 2HB ASN 57 2HB ASN 57 11.311 0.105 -4.846 425 1HD2 ASN 57 1HD2 ASN 57 10.031 -2.989 -5.454 426 2HD2 ASN 57 2HD2 ASN 57 10.130 -3.605 -3.878 427 H PHE 58 H PHE 58 6.838 1.247 -5.367 428 HA PHE 58 HA PHE 58 5.707 -1.524 -5.436 429 1HB PHE 58 1HB PHE 58 4.501 1.077 -4.409 430 2HB PHE 58 2HB PHE 58 3.640 -0.453 -4.481 431 HD1 PHE 58 1HD PHE 58 6.983 0.794 -3.248 432 HD2 PHE 58 2HD PHE 58 3.567 -1.727 -2.584 433 HE1 PHE 58 1HE PHE 58 7.953 0.035 -1.100 434 HE2 PHE 58 2HE PHE 58 4.534 -2.463 -0.427 435 HZ PHE 58 HZ PHE 58 6.726 -1.583 0.314 436 H ARG 59 H ARG 59 4.838 -2.041 -7.380 437 HA ARG 59 HA ARG 59 4.559 0.031 -9.466 438 1HB ARG 59 1HB ARG 59 4.023 -2.071 -10.828 439 2HB ARG 59 2HB ARG 59 5.620 -2.015 -10.088 440 1HG ARG 59 1HG ARG 59 5.092 -3.635 -8.508 441 2HG ARG 59 2HG ARG 59 3.374 -3.237 -8.529 442 1HD ARG 59 1HD ARG 59 4.907 -4.712 -10.703 443 2HD ARG 59 2HD ARG 59 3.664 -5.392 -9.633 444 HE ARG 59 HE ARG 59 2.467 -3.161 -10.824 445 1HH1 ARG 59 1HH1 ARG 59 4.248 -3.899 -13.158 446 2HH1 ARG 59 2HH1 ARG 59 3.222 -4.974 -14.049 447 1HH2 ARG 59 1HH2 ARG 59 1.024 -5.487 -11.418 448 2HH2 ARG 59 2HH2 ARG 59 1.399 -5.872 -13.065 449 H VAL 60 H VAL 60 2.706 1.169 -9.343 450 HA VAL 60 HA VAL 60 0.205 -0.031 -8.368 451 HB VAL 60 HB VAL 60 0.976 2.157 -7.654 452 1HG1 VAL 60 1HG1 VAL 60 1.125 2.580 -10.609 453 2HG1 VAL 60 2HG1 VAL 60 2.218 3.134 -9.341 454 3HG1 VAL 60 3HG1 VAL 60 0.683 3.962 -9.608 455 1HG2 VAL 60 1HG2 VAL 60 -1.225 3.184 -9.236 456 2HG2 VAL 60 2HG2 VAL 60 -1.182 2.809 -7.513 457 3HG2 VAL 60 3HG2 VAL 60 -1.583 1.549 -8.681 458 H GLN 61 H GLN 61 -1.583 -0.461 -9.563 459 HA GLN 61 HA GLN 61 -2.085 0.476 -12.244 460 1HB GLN 61 1HB GLN 61 -1.633 -1.690 -13.382 461 2HB GLN 61 2HB GLN 61 -0.164 -1.016 -12.676 462 1HG GLN 61 1HG GLN 61 -0.009 -3.178 -11.874 463 2HG GLN 61 2HG GLN 61 -0.963 -2.462 -10.575 464 1HE2 GLN 61 1HE2 GLN 61 -1.315 -5.157 -10.838 465 2HE2 GLN 61 2HE2 GLN 61 -2.787 -5.522 -11.600 466 H LEU 62 H LEU 62 -3.945 -1.006 -13.213 467 HA LEU 62 HA LEU 62 -5.438 -2.647 -11.320 468 1HB LEU 62 1HB LEU 62 -5.598 0.005 -10.840 469 2HB LEU 62 2HB LEU 62 -6.891 -0.146 -12.028 470 HG LEU 62 HG LEU 62 -7.756 -2.102 -10.625 471 1HD1 LEU 62 1HD1 LEU 62 -6.881 -2.533 -8.524 472 2HD1 LEU 62 2HD1 LEU 62 -6.258 -0.894 -8.333 473 3HD1 LEU 62 3HD1 LEU 62 -5.410 -2.047 -9.366 474 1HD2 LEU 62 1HD2 LEU 62 -9.044 -0.156 -10.444 475 2HD2 LEU 62 2HD2 LEU 62 -7.717 0.776 -9.749 476 3HD2 LEU 62 3HD2 LEU 62 -8.561 -0.424 -8.770 477 H PHE 63 H PHE 63 -5.717 -0.542 -14.202 478 HA PHE 63 HA PHE 63 -7.385 -2.690 -15.477 479 1HB PHE 63 1HB PHE 63 -7.931 0.002 -14.935 480 2HB PHE 63 2HB PHE 63 -7.542 -0.024 -16.655 481 HD1 PHE 63 1HD PHE 63 -8.724 -1.764 -18.131 482 HD2 PHE 63 2HD PHE 63 -10.017 -0.780 -14.155 483 HE1 PHE 63 1HE PHE 63 -10.954 -2.732 -18.616 484 HE2 PHE 63 2HE PHE 63 -12.248 -1.747 -14.641 485 HZ PHE 63 HZ PHE 63 -12.717 -2.724 -16.872 486 H GLU 64 H GLU 64 -6.485 -3.600 -17.285 487 HA GLU 64 HA GLU 64 -4.585 -2.026 -18.941 488 1HB GLU 64 1HB GLU 64 -3.962 -4.264 -17.105 489 2HB GLU 64 2HB GLU 64 -3.252 -4.402 -18.714 490 1HG GLU 64 1HG GLU 64 -2.277 -2.152 -18.483 491 2HG GLU 64 2HG GLU 64 -3.012 -1.990 -16.888 492 H ASP 65 H ASP 65 -6.243 -5.149 -18.445 493 HA ASP 65 HA ASP 65 -6.018 -6.058 -21.167 494 1HB ASP 65 1HB ASP 65 -6.580 -7.313 -18.986 495 2HB ASP 65 2HB ASP 65 -8.223 -6.707 -19.199 Start of MODEL 8 1 1H MET 1 1HT MET 1 -9.640 -7.977 -7.609 2 2H MET 1 2HT MET 1 -10.773 -7.783 -6.359 3 3H MET 1 3HT MET 1 -9.174 -8.230 -5.998 4 HA MET 1 HA MET 1 -8.368 -6.079 -6.784 5 1HB MET 1 1HB MET 1 -11.273 -5.985 -7.534 6 2HB MET 1 2HB MET 1 -10.436 -4.470 -7.190 7 1HG MET 1 1HG MET 1 -8.912 -4.774 -8.963 8 2HG MET 1 2HG MET 1 -9.237 -6.505 -9.065 9 1HE MET 1 1HE MET 1 -9.899 -7.182 -11.038 10 2HE MET 1 2HE MET 1 -11.408 -6.819 -11.872 11 3HE MET 1 3HE MET 1 -11.450 -7.562 -10.275 12 H ASP 2 H ASP 2 -11.608 -6.037 -5.240 13 HA ASP 2 HA ASP 2 -10.587 -4.394 -3.026 14 1HB ASP 2 1HB ASP 2 -13.282 -5.728 -3.447 15 2HB ASP 2 2HB ASP 2 -12.936 -4.355 -2.395 16 H ASP 3 H ASP 3 -11.853 -7.718 -3.441 17 HA ASP 3 HA ASP 3 -11.956 -8.672 -0.848 18 1HB ASP 3 1HB ASP 3 -12.468 -10.115 -2.664 19 2HB ASP 3 2HB ASP 3 -10.899 -9.849 -3.423 20 H GLN 4 H GLN 4 -9.082 -9.820 -2.491 21 HA GLN 4 HA GLN 4 -7.467 -9.325 -0.077 22 1HB GLN 4 1HB GLN 4 -7.309 -11.440 -1.286 23 2HB GLN 4 2HB GLN 4 -6.928 -10.592 -2.785 24 1HG GLN 4 1HG GLN 4 -4.775 -10.043 -2.078 25 2HG GLN 4 2HG GLN 4 -5.202 -10.142 -0.370 26 1HE2 GLN 4 1HE2 GLN 4 -4.233 -12.032 -3.193 27 2HE2 GLN 4 2HE2 GLN 4 -3.990 -13.491 -2.360 28 H GLY 5 H GLY 5 -8.298 -6.896 -1.242 29 1HA GLY 5 1HA GLY 5 -5.998 -5.922 -2.837 30 2HA GLY 5 2HA GLY 5 -7.502 -5.044 -2.559 31 H CYS 6 H CYS 6 -6.870 -3.196 -1.522 32 HA CYS 6 HA CYS 6 -4.690 -2.569 -0.015 33 1HB CYS 6 1HB CYS 6 -6.365 -0.919 -0.421 34 2HB CYS 6 2HB CYS 6 -7.605 -1.862 0.373 35 HA PRO 7 HA PRO 7 -5.166 -5.375 3.463 36 1HB PRO 7 1HB PRO 7 -2.498 -5.468 4.045 37 2HB PRO 7 2HB PRO 7 -3.237 -6.429 2.750 38 1HG PRO 7 1HG PRO 7 -1.496 -4.069 2.591 39 2HG PRO 7 2HG PRO 7 -1.828 -5.310 1.376 40 1HD PRO 7 1HD PRO 7 -2.932 -2.671 1.569 41 2HD PRO 7 2HD PRO 7 -3.265 -3.910 0.343 42 H ARG 8 H ARG 8 -3.724 -2.191 3.273 43 HA ARG 8 HA ARG 8 -3.506 -1.946 6.230 44 1HB ARG 8 1HB ARG 8 -1.938 -1.131 4.193 45 2HB ARG 8 2HB ARG 8 -2.937 0.311 4.369 46 1HG ARG 8 1HG ARG 8 -1.964 0.870 6.339 47 2HG ARG 8 2HG ARG 8 -1.997 -0.795 6.928 48 1HD ARG 8 1HD ARG 8 -0.072 -1.221 5.238 49 2HD ARG 8 2HD ARG 8 0.078 0.546 5.176 50 HE ARG 8 HE ARG 8 1.045 -1.047 7.308 51 1HH1 ARG 8 1HH1 ARG 8 1.337 1.978 6.999 52 2HH1 ARG 8 2HH1 ARG 8 0.578 2.536 8.451 53 1HH2 ARG 8 1HH2 ARG 8 -0.981 -0.493 9.112 54 2HH2 ARG 8 2HH2 ARG 8 -0.736 1.135 9.650 55 H CYS 9 H CYS 9 -4.766 0.277 3.707 56 HA CYS 9 HA CYS 9 -6.806 1.210 5.676 57 1HB CYS 9 1HB CYS 9 -7.162 2.628 3.277 58 2HB CYS 9 2HB CYS 9 -6.325 3.192 4.709 59 H LYS 10 H LYS 10 -7.251 -1.406 4.714 60 HA LYS 10 HA LYS 10 -8.614 -2.164 2.573 61 1HB LYS 10 1HB LYS 10 -9.937 -3.583 3.957 62 2HB LYS 10 2HB LYS 10 -8.466 -3.260 4.872 63 1HG LYS 10 1HG LYS 10 -9.913 -1.227 5.796 64 2HG LYS 10 2HG LYS 10 -11.252 -2.278 5.335 65 1HD LYS 10 1HD LYS 10 -10.602 -3.965 6.839 66 2HD LYS 10 2HD LYS 10 -8.944 -3.369 6.937 67 1HE LYS 10 1HE LYS 10 -9.523 -1.643 8.418 68 2HE LYS 10 2HE LYS 10 -11.220 -1.634 7.894 69 1HZ LYS 10 1HZ LYS 10 -11.620 -3.657 8.980 70 2HZ LYS 10 2HZ LYS 10 -10.669 -2.792 10.092 71 3HZ LYS 10 3HZ LYS 10 -9.971 -4.016 9.142 72 H THR 11 H THR 11 -9.431 -0.282 1.385 73 HA THR 11 HA THR 11 -12.279 0.123 1.735 74 HB THR 11 HB THR 11 -10.978 1.390 3.630 75 HG1 THR 11 1HG THR 11 -12.557 3.006 3.542 76 1HG2 THR 11 1HG2 THR 11 -9.342 2.453 2.081 77 2HG2 THR 11 2HG2 THR 11 -10.253 3.645 3.005 78 3HG2 THR 11 3HG2 THR 11 -10.667 3.332 1.321 79 H THR 12 H THR 12 -9.278 1.542 0.507 80 HA THR 12 HA THR 12 -10.089 3.251 -1.472 81 HB THR 12 HB THR 12 -7.980 2.300 -2.636 82 HG1 THR 12 1HG THR 12 -7.366 0.463 -1.862 83 1HG2 THR 12 1HG2 THR 12 -8.293 4.182 -0.888 84 2HG2 THR 12 2HG2 THR 12 -6.675 3.516 -1.117 85 3HG2 THR 12 3HG2 THR 12 -7.649 3.009 0.261 86 H LYS 13 H LYS 13 -8.770 0.527 -3.102 87 HA LYS 13 HA LYS 13 -10.297 0.532 -5.343 88 1HB LYS 13 1HB LYS 13 -9.410 -1.613 -5.690 89 2HB LYS 13 2HB LYS 13 -8.332 -0.912 -4.501 90 1HG LYS 13 1HG LYS 13 -10.719 -2.581 -3.697 91 2HG LYS 13 2HG LYS 13 -9.141 -3.292 -4.022 92 1HD LYS 13 1HD LYS 13 -8.188 -1.617 -2.351 93 2HD LYS 13 2HD LYS 13 -9.855 -1.259 -1.890 94 1HE LYS 13 1HE LYS 13 -9.049 -4.144 -1.981 95 2HE LYS 13 2HE LYS 13 -8.460 -3.164 -0.625 96 1HZ LYS 13 1HZ LYS 13 -10.807 -2.326 -0.436 97 2HZ LYS 13 2HZ LYS 13 -10.593 -3.957 -0.012 98 3HZ LYS 13 3HZ LYS 13 -11.267 -3.549 -1.517 99 H TYR 14 H TYR 14 -11.433 -0.574 -2.199 100 HA TYR 14 HA TYR 14 -13.809 -1.907 -3.241 101 1HB TYR 14 1HB TYR 14 -12.577 -2.308 -1.029 102 2HB TYR 14 2HB TYR 14 -13.291 -0.809 -0.457 103 HD1 TYR 14 1HD TYR 14 -15.737 -1.767 -2.576 104 HD2 TYR 14 2HD TYR 14 -13.918 -3.164 1.057 105 HE1 TYR 14 1HE TYR 14 -17.813 -2.998 -2.009 106 HE2 TYR 14 2HE TYR 14 -15.995 -4.395 1.622 107 HH TYR 14 HH TYR 14 -18.519 -4.875 -0.646 108 H ARG 15 H ARG 15 -13.122 1.167 -1.589 109 HA ARG 15 HA ARG 15 -15.774 2.264 -2.321 110 1HB ARG 15 1HB ARG 15 -13.537 2.821 -0.468 111 2HB ARG 15 2HB ARG 15 -14.322 4.257 -1.109 112 1HG ARG 15 1HG ARG 15 -15.970 3.925 0.405 113 2HG ARG 15 2HG ARG 15 -16.400 2.453 -0.467 114 1HD ARG 15 1HD ARG 15 -14.302 2.619 1.723 115 2HD ARG 15 2HD ARG 15 -15.941 1.983 1.934 116 HE ARG 15 HE ARG 15 -13.937 0.794 0.020 117 1HH1 ARG 15 1HH2 ARG 15 -16.726 -0.105 -0.392 118 2HH1 ARG 15 2HH2 ARG 15 -16.840 -1.496 0.632 119 1HH2 ARG 15 1HH1 ARG 15 -14.016 -0.694 2.479 120 2HH2 ARG 15 2HH1 ARG 15 -15.306 -1.828 2.261 121 H ASN 16 H ASN 16 -12.386 3.325 -2.608 122 HA ASN 16 HA ASN 16 -12.869 5.257 -4.700 123 1HB ASN 16 1HB ASN 16 -10.727 4.166 -3.057 124 2HB ASN 16 2HB ASN 16 -10.182 4.430 -4.711 125 1HD2 ASN 16 1HD2 ASN 16 -8.832 6.160 -3.536 126 2HD2 ASN 16 2HD2 ASN 16 -9.543 7.689 -3.326 127 HA PRO 17 HA PRO 17 -12.661 2.022 -7.815 128 1HB PRO 17 1HB PRO 17 -14.212 3.332 -9.657 129 2HB PRO 17 2HB PRO 17 -14.894 2.436 -8.287 130 1HG PRO 17 1HG PRO 17 -14.737 5.324 -8.748 131 2HG PRO 17 2HG PRO 17 -15.771 4.418 -7.638 132 1HD PRO 17 1HD PRO 17 -13.331 5.856 -7.063 133 2HD PRO 17 2HD PRO 17 -14.425 5.031 -5.930 134 H SER 18 H SER 18 -11.500 5.204 -7.725 135 HA SER 18 HA SER 18 -10.373 5.206 -10.462 136 1HB SER 18 1HB SER 18 -11.228 7.100 -8.600 137 2HB SER 18 2HB SER 18 -9.474 7.248 -8.571 138 HG SER 18 HG SER 18 -11.255 7.669 -10.677 139 H LEU 19 H LEU 19 -9.318 4.861 -7.091 140 HA LEU 19 HA LEU 19 -6.483 4.776 -7.754 141 1HB LEU 19 1HB LEU 19 -6.228 4.759 -5.469 142 2HB LEU 19 2HB LEU 19 -7.896 5.305 -5.530 143 HG LEU 19 HG LEU 19 -7.868 3.574 -3.914 144 1HD1 LEU 19 1HD1 LEU 19 -9.361 3.284 -6.241 145 2HD1 LEU 19 2HD1 LEU 19 -9.645 2.464 -4.710 146 3HD1 LEU 19 3HD1 LEU 19 -8.686 1.681 -5.965 147 1HD2 LEU 19 1HD2 LEU 19 -6.357 1.906 -3.886 148 2HD2 LEU 19 2HD2 LEU 19 -5.667 2.605 -5.347 149 3HD2 LEU 19 3HD2 LEU 19 -6.877 1.335 -5.470 150 H LYS 20 H LYS 20 -5.165 2.778 -7.166 151 HA LYS 20 HA LYS 20 -6.633 0.237 -7.694 152 1HB LYS 20 1HB LYS 20 -4.520 -0.176 -9.267 153 2HB LYS 20 2HB LYS 20 -5.942 0.667 -9.879 154 1HG LYS 20 1HG LYS 20 -3.741 2.235 -8.559 155 2HG LYS 20 2HG LYS 20 -3.554 1.711 -10.234 156 1HD LYS 20 1HD LYS 20 -6.195 2.790 -9.873 157 2HD LYS 20 2HD LYS 20 -5.011 3.950 -9.267 158 1HE LYS 20 1HE LYS 20 -4.084 4.281 -11.362 159 2HE LYS 20 2HE LYS 20 -4.414 2.615 -11.880 160 1HZ LYS 20 1HZ LYS 20 -6.112 3.640 -12.963 161 2HZ LYS 20 2HZ LYS 20 -6.151 4.964 -11.900 162 3HZ LYS 20 3HZ LYS 20 -6.882 3.495 -11.459 163 H LEU 21 H LEU 21 -4.551 -1.492 -7.796 164 HA LEU 21 HA LEU 21 -3.182 -1.059 -5.171 165 1HB LEU 21 1HB LEU 21 -4.395 -3.400 -6.606 166 2HB LEU 21 2HB LEU 21 -3.112 -3.687 -5.430 167 HG LEU 21 HG LEU 21 -4.381 -2.699 -3.663 168 1HD1 LEU 21 1HD1 LEU 21 -5.281 -0.736 -4.677 169 2HD1 LEU 21 2HD1 LEU 21 -6.681 -1.701 -4.217 170 3HD1 LEU 21 3HD1 LEU 21 -6.146 -1.671 -5.896 171 1HD2 LEU 21 1HD2 LEU 21 -5.130 -4.955 -4.218 172 2HD2 LEU 21 2HD2 LEU 21 -6.219 -4.321 -5.451 173 3HD2 LEU 21 3HD2 LEU 21 -6.524 -3.983 -3.748 174 H MET 22 H MET 22 -1.011 -0.736 -5.360 175 HA MET 22 HA MET 22 0.330 -1.518 -7.886 176 1HB MET 22 1HB MET 22 2.024 -0.209 -5.909 177 2HB MET 22 2HB MET 22 1.577 0.344 -7.505 178 1HG MET 22 1HG MET 22 -0.608 1.147 -6.568 179 2HG MET 22 2HG MET 22 0.008 0.756 -4.961 180 1HE MET 22 1HE MET 22 -0.316 4.292 -5.028 181 2HE MET 22 2HE MET 22 -1.186 3.097 -5.988 182 3HE MET 22 3HE MET 22 -0.248 4.351 -6.795 183 H VAL 23 H VAL 23 2.695 -2.315 -7.491 184 HA VAL 23 HA VAL 23 2.681 -4.359 -5.300 185 HB VAL 23 HB VAL 23 3.110 -4.550 -8.260 186 1HG1 VAL 23 1HG1 VAL 23 4.453 -6.280 -6.167 187 2HG1 VAL 23 2HG1 VAL 23 5.220 -5.407 -7.495 188 3HG1 VAL 23 3HG1 VAL 23 4.205 -6.809 -7.830 189 1HG2 VAL 23 1HG2 VAL 23 2.115 -6.926 -7.080 190 2HG2 VAL 23 2HG2 VAL 23 1.211 -5.732 -8.014 191 3HG2 VAL 23 3HG2 VAL 23 1.315 -5.586 -6.259 192 H ASN 24 H ASN 24 4.726 -4.749 -4.347 193 HA ASN 24 HA ASN 24 6.899 -2.875 -5.216 194 1HB ASN 24 1HB ASN 24 7.490 -3.085 -2.698 195 2HB ASN 24 2HB ASN 24 6.078 -2.120 -3.132 196 1HD2 ASN 24 1HD2 ASN 24 3.954 -3.003 -2.630 197 2HD2 ASN 24 2HD2 ASN 24 3.765 -4.355 -1.622 198 H VAL 25 H VAL 25 8.895 -3.737 -5.510 199 HA VAL 25 HA VAL 25 10.362 -5.509 -6.106 200 HB VAL 25 HB VAL 25 11.311 -4.840 -4.111 201 1HG1 VAL 25 1HG1 VAL 25 10.185 -5.317 -1.865 202 2HG1 VAL 25 2HG1 VAL 25 8.748 -5.742 -2.788 203 3HG1 VAL 25 3HG1 VAL 25 9.406 -4.113 -2.890 204 1HG2 VAL 25 1HG2 VAL 25 11.197 -7.548 -4.520 205 2HG2 VAL 25 2HG2 VAL 25 10.651 -7.409 -2.849 206 3HG2 VAL 25 3HG2 VAL 25 12.217 -6.752 -3.324 207 H CYS 26 H CYS 26 8.900 -7.395 -3.480 208 HA CYS 26 HA CYS 26 8.878 -9.788 -4.959 209 1HB CYS 26 1HB CYS 26 6.801 -10.047 -3.069 210 2HB CYS 26 2HB CYS 26 8.473 -10.522 -2.854 211 H GLY 27 H GLY 27 6.307 -10.808 -4.695 212 1HA GLY 27 1HA GLY 27 4.922 -9.324 -6.878 213 2HA GLY 27 2HA GLY 27 4.746 -11.052 -6.571 214 H HIS 28 H HIS 28 4.687 -8.566 -4.068 215 HA HIS 28 HA HIS 28 2.015 -9.519 -3.260 216 1HB HIS 28 1HB HIS 28 4.179 -7.772 -2.097 217 2HB HIS 28 2HB HIS 28 2.599 -7.894 -1.323 218 HD2 HIS 28 2HD HIS 28 1.918 -10.977 -1.591 219 HE1 HIS 28 1HE HIS 28 5.752 -11.863 -0.103 220 HE2 HIS 28 2HE HIS 28 3.454 -12.806 -0.570 221 H THR 29 H THR 29 1.613 -6.631 -2.100 222 HA THR 29 HA THR 29 1.194 -4.975 -4.436 223 HB THR 29 HB THR 29 -0.770 -6.996 -3.557 224 HG1 THR 29 1HG THR 29 -0.688 -5.568 -5.982 225 1HG2 THR 29 1HG2 THR 29 -1.969 -4.976 -2.828 226 2HG2 THR 29 2HG2 THR 29 -2.720 -5.610 -4.292 227 3HG2 THR 29 3HG2 THR 29 -1.658 -4.204 -4.382 228 H LEU 30 H LEU 30 -0.235 -3.075 -3.887 229 HA LEU 30 HA LEU 30 -0.894 -2.612 -1.096 230 1HB LEU 30 1HB LEU 30 1.701 -2.312 -1.640 231 2HB LEU 30 2HB LEU 30 1.168 -0.743 -2.195 232 HG LEU 30 HG LEU 30 0.736 -0.001 -0.083 233 1HD1 LEU 30 1HD1 LEU 30 -1.102 -1.549 0.383 234 2HD1 LEU 30 2HD1 LEU 30 -0.043 -1.465 1.789 235 3HD1 LEU 30 3HD1 LEU 30 0.035 -2.851 0.704 236 1HD2 LEU 30 1HD2 LEU 30 2.880 -0.405 0.531 237 2HD2 LEU 30 2HD2 LEU 30 2.831 -2.063 -0.062 238 3HD2 LEU 30 3HD2 LEU 30 2.195 -1.679 1.538 239 H CYS 31 H CYS 31 -2.782 -1.620 -1.383 240 HA CYS 31 HA CYS 31 -3.799 -0.342 -3.631 241 1HB CYS 31 1HB CYS 31 -5.533 -0.211 -2.209 242 2HB CYS 31 2HB CYS 31 -4.485 -0.949 -1.022 243 H GLU 32 H GLU 32 -4.372 2.115 -3.737 244 HA GLU 32 HA GLU 32 -1.882 3.604 -3.785 245 1HB GLU 32 1HB GLU 32 -3.131 4.933 -5.128 246 2HB GLU 32 2HB GLU 32 -4.452 3.810 -4.872 247 1HG GLU 32 1HG GLU 32 -3.977 6.025 -2.890 248 2HG GLU 32 2HG GLU 32 -4.840 6.343 -4.390 249 H SER 33 H SER 33 -4.706 3.592 -1.612 250 HA SER 33 HA SER 33 -3.804 5.677 0.128 251 1HB SER 33 1HB SER 33 -5.718 3.327 0.463 252 2HB SER 33 2HB SER 33 -5.458 4.552 1.713 253 HG SER 33 HG SER 33 -6.896 5.630 0.655 254 H CYS 34 H CYS 34 -2.512 2.470 -0.249 255 HA CYS 34 HA CYS 34 -1.681 2.288 2.584 256 1HB CYS 34 1HB CYS 34 -1.265 0.652 0.077 257 2HB CYS 34 2HB CYS 34 -0.257 0.394 1.501 258 H VAL 35 H VAL 35 0.103 2.381 -0.511 259 HA VAL 35 HA VAL 35 2.669 2.867 0.330 260 HB VAL 35 HB VAL 35 0.996 3.926 -1.938 261 1HG1 VAL 35 1HG1 VAL 35 3.885 4.577 -1.328 262 2HG1 VAL 35 2HG1 VAL 35 2.575 5.699 -1.695 263 3HG1 VAL 35 3HG1 VAL 35 3.222 4.657 -2.960 264 1HG2 VAL 35 1HG2 VAL 35 1.583 1.598 -2.061 265 2HG2 VAL 35 2HG2 VAL 35 3.260 1.941 -1.641 266 3HG2 VAL 35 3HG2 VAL 35 2.619 2.452 -3.203 267 H ASP 36 H ASP 36 -0.043 5.087 0.585 268 HA ASP 36 HA ASP 36 1.484 7.481 1.034 269 1HB ASP 36 1HB ASP 36 -0.607 8.347 0.981 270 2HB ASP 36 2HB ASP 36 -1.177 6.706 0.704 271 H LEU 37 H LEU 37 -0.277 5.462 3.469 272 HA LEU 37 HA LEU 37 1.351 6.673 5.624 273 1HB LEU 37 1HB LEU 37 -0.917 4.667 5.496 274 2HB LEU 37 2HB LEU 37 -0.176 5.188 7.009 275 HG LEU 37 HG LEU 37 -1.676 6.885 4.998 276 1HD1 LEU 37 1HD1 LEU 37 -2.276 7.137 7.848 277 2HD1 LEU 37 2HD1 LEU 37 -2.492 5.487 7.264 278 3HD1 LEU 37 3HD1 LEU 37 -3.366 6.814 6.499 279 1HD2 LEU 37 1HD2 LEU 37 -1.056 8.581 7.040 280 2HD2 LEU 37 2HD2 LEU 37 -0.125 8.474 5.546 281 3HD2 LEU 37 3HD2 LEU 37 0.407 7.599 6.982 282 H LEU 38 H LEU 38 1.134 3.695 3.836 283 HA LEU 38 HA LEU 38 2.376 1.807 5.444 284 1HB LEU 38 1HB LEU 38 1.442 1.729 3.054 285 2HB LEU 38 2HB LEU 38 3.027 2.284 2.531 286 HG LEU 38 HG LEU 38 3.019 -0.112 2.359 287 1HD1 LEU 38 1HD1 LEU 38 4.410 0.350 4.991 288 2HD1 LEU 38 2HD1 LEU 38 5.000 1.106 3.511 289 3HD1 LEU 38 3HD1 LEU 38 4.920 -0.652 3.632 290 1HD2 LEU 38 1HD2 LEU 38 2.485 -1.544 4.315 291 2HD2 LEU 38 2HD2 LEU 38 1.106 -0.551 3.842 292 3HD2 LEU 38 3HD2 LEU 38 2.077 -0.104 5.245 293 H PHE 39 H PHE 39 4.187 3.719 3.031 294 HA PHE 39 HA PHE 39 6.700 3.108 4.418 295 1HB PHE 39 1HB PHE 39 6.097 4.718 1.949 296 2HB PHE 39 2HB PHE 39 7.653 3.993 2.374 297 HD1 PHE 39 1HD PHE 39 7.929 1.524 2.344 298 HD2 PHE 39 2HD PHE 39 4.260 3.385 1.126 299 HE1 PHE 39 1HE PHE 39 7.184 -0.611 1.331 300 HE2 PHE 39 2HE PHE 39 3.515 1.251 0.105 301 HZ PHE 39 HZ PHE 39 4.976 -0.751 0.211 302 H VAL 40 H VAL 40 4.697 6.049 3.958 303 HA VAL 40 HA VAL 40 6.641 8.008 4.512 304 HB VAL 40 HB VAL 40 4.726 9.243 5.603 305 1HG1 VAL 40 1HG1 VAL 40 4.992 9.418 3.222 306 2HG1 VAL 40 2HG1 VAL 40 3.278 9.136 3.529 307 3HG1 VAL 40 3HG1 VAL 40 4.302 7.813 2.971 308 1HG2 VAL 40 1HG2 VAL 40 2.530 8.102 5.570 309 2HG2 VAL 40 2HG2 VAL 40 3.662 7.322 6.674 310 3HG2 VAL 40 3HG2 VAL 40 3.331 6.604 5.097 311 H ARG 41 H ARG 41 5.423 5.528 6.610 312 HA ARG 41 HA ARG 41 6.222 6.770 9.126 313 1HB ARG 41 1HB ARG 41 5.892 3.825 8.491 314 2HB ARG 41 2HB ARG 41 5.628 4.630 10.038 315 1HG ARG 41 1HG ARG 41 3.649 5.695 9.257 316 2HG ARG 41 2HG ARG 41 4.024 5.333 7.575 317 1HD ARG 41 1HD ARG 41 2.273 3.795 8.434 318 2HD ARG 41 2HD ARG 41 3.761 2.894 8.079 319 HE ARG 41 HE ARG 41 3.335 3.956 10.837 320 1HH1 ARG 41 1HH2 ARG 41 2.664 1.287 8.868 321 2HH1 ARG 41 2HH2 ARG 41 3.306 0.110 9.964 322 1HH2 ARG 41 1HH1 ARG 41 4.589 2.466 12.160 323 2HH2 ARG 41 2HH1 ARG 41 4.392 0.777 11.829 324 H GLY 42 H GLY 42 7.978 5.626 6.523 325 1HA GLY 42 1HA GLY 42 10.511 5.968 7.163 326 2HA GLY 42 2HA GLY 42 10.199 4.559 8.180 327 H ALA 43 H ALA 43 8.192 3.861 5.791 328 HA ALA 43 HA ALA 43 8.339 2.408 3.916 329 1HB ALA 43 1HB ALA 43 11.007 3.785 3.523 330 2HB ALA 43 2HB ALA 43 9.470 4.575 3.171 331 3HB ALA 43 3HB ALA 43 9.942 3.128 2.281 332 H GLY 44 H GLY 44 9.489 0.462 3.162 333 1HA GLY 44 1HA GLY 44 11.406 -1.058 3.341 334 2HA GLY 44 2HA GLY 44 11.725 -0.393 4.940 335 H ASN 45 H ASN 45 8.525 -1.391 3.729 336 HA ASN 45 HA ASN 45 8.620 -3.909 5.252 337 1HB ASN 45 1HB ASN 45 7.227 -1.408 6.185 338 2HB ASN 45 2HB ASN 45 6.633 -2.995 6.671 339 1HD2 ASN 45 1HD2 ASN 45 8.499 -4.493 7.568 340 2HD2 ASN 45 2HD2 ASN 45 9.631 -3.740 8.584 341 H CYS 46 H CYS 46 7.791 -5.021 3.458 342 HA CYS 46 HA CYS 46 5.758 -4.230 1.662 343 1HB CYS 46 1HB CYS 46 7.379 -6.300 1.893 344 2HB CYS 46 2HB CYS 46 6.011 -7.035 2.720 345 HA PRO 47 HA PRO 47 2.157 -4.032 4.206 346 1HB PRO 47 1HB PRO 47 0.274 -4.597 2.283 347 2HB PRO 47 2HB PRO 47 1.092 -3.031 2.438 348 1HG PRO 47 1HG PRO 47 1.736 -5.337 0.636 349 2HG PRO 47 2HG PRO 47 1.619 -3.613 0.241 350 1HD PRO 47 1HD PRO 47 3.984 -4.793 0.635 351 2HD PRO 47 2HD PRO 47 3.685 -3.136 1.203 352 H GLU 48 H GLU 48 3.173 -6.915 2.645 353 HA GLU 48 HA GLU 48 1.343 -8.471 4.434 354 1HB GLU 48 1HB GLU 48 0.597 -9.832 2.680 355 2HB GLU 48 2HB GLU 48 0.686 -8.244 1.921 356 1HG GLU 48 1HG GLU 48 2.688 -10.508 1.694 357 2HG GLU 48 2HG GLU 48 1.737 -9.778 0.399 358 H CYS 49 H CYS 49 4.578 -8.225 3.056 359 HA CYS 49 HA CYS 49 5.275 -10.669 4.630 360 1HB CYS 49 1HB CYS 49 6.345 -11.633 2.826 361 2HB CYS 49 2HB CYS 49 5.109 -10.735 1.965 362 H GLY 50 H GLY 50 5.672 -7.458 4.620 363 1HA GLY 50 1HA GLY 50 7.420 -5.982 5.218 364 2HA GLY 50 2HA GLY 50 7.763 -7.250 6.395 365 H THR 51 H THR 51 8.033 -7.719 2.918 366 HA THR 51 HA THR 51 10.550 -8.934 2.925 367 HB THR 51 HB THR 51 8.665 -7.774 1.049 368 HG1 THR 51 1HG THR 51 10.593 -9.810 1.099 369 1HG2 THR 51 1HG2 THR 51 10.064 -7.117 -0.756 370 2HG2 THR 51 2HG2 THR 51 11.523 -7.654 0.077 371 3HG2 THR 51 3HG2 THR 51 10.661 -6.226 0.645 372 HA PRO 52 HA PRO 52 13.525 -5.834 3.754 373 1HB PRO 52 1HB PRO 52 15.505 -6.444 1.945 374 2HB PRO 52 2HB PRO 52 15.188 -7.397 3.409 375 1HG PRO 52 1HG PRO 52 14.307 -7.881 0.589 376 2HG PRO 52 2HG PRO 52 14.956 -9.029 1.773 377 1HD PRO 52 1HD PRO 52 12.312 -8.830 1.249 378 2HD PRO 52 2HD PRO 52 12.924 -9.219 2.872 379 H LEU 53 H LEU 53 11.773 -4.352 2.670 380 HA LEU 53 HA LEU 53 12.219 -3.428 -0.043 381 1HB LEU 53 1HB LEU 53 10.717 -2.444 2.391 382 2HB LEU 53 2HB LEU 53 10.691 -1.564 0.863 383 HG LEU 53 HG LEU 53 10.039 -4.507 0.996 384 1HD1 LEU 53 1HD1 LEU 53 7.716 -3.996 1.294 385 2HD1 LEU 53 2HD1 LEU 53 8.015 -2.265 1.151 386 3HD1 LEU 53 3HD1 LEU 53 8.583 -3.143 2.570 387 1HD2 LEU 53 1HD2 LEU 53 9.379 -2.241 -0.909 388 2HD2 LEU 53 2HD2 LEU 53 8.738 -3.878 -1.057 389 3HD2 LEU 53 3HD2 LEU 53 10.472 -3.592 -1.212 390 H ARG 54 H ARG 54 13.518 -1.709 -0.726 391 HA ARG 54 HA ARG 54 15.127 -0.332 1.401 392 1HB ARG 54 1HB ARG 54 15.862 -1.964 -0.779 393 2HB ARG 54 2HB ARG 54 16.295 -0.320 -1.250 394 1HG ARG 54 1HG ARG 54 18.194 -1.153 -0.075 395 2HG ARG 54 2HG ARG 54 17.360 -0.111 1.081 396 1HD ARG 54 1HD ARG 54 16.346 -2.858 1.156 397 2HD ARG 54 2HD ARG 54 18.079 -2.767 1.527 398 HE ARG 54 HE ARG 54 16.038 -1.031 2.887 399 1HH1 ARG 54 1HH2 ARG 54 19.299 -1.532 2.812 400 2HH1 ARG 54 2HH2 ARG 54 19.482 -1.933 4.487 401 1HH2 ARG 54 1HH1 ARG 54 16.074 -2.181 5.074 402 2HH2 ARG 54 2HH1 ARG 54 17.657 -2.301 5.767 403 H LYS 55 H LYS 55 12.646 0.209 -0.727 404 HA LYS 55 HA LYS 55 13.012 3.099 -0.622 405 1HB LYS 55 1HB LYS 55 13.381 3.467 -2.968 406 2HB LYS 55 2HB LYS 55 14.548 2.247 -2.464 407 1HG LYS 55 1HG LYS 55 11.859 1.489 -3.613 408 2HG LYS 55 2HG LYS 55 13.254 1.798 -4.643 409 1HD LYS 55 1HD LYS 55 14.527 0.102 -3.257 410 2HD LYS 55 2HD LYS 55 12.998 -0.308 -2.481 411 1HE LYS 55 1HE LYS 55 12.575 -1.714 -4.213 412 2HE LYS 55 2HE LYS 55 12.519 -0.303 -5.290 413 1HZ LYS 55 1HZ LYS 55 15.035 -0.404 -5.211 414 2HZ LYS 55 2HZ LYS 55 14.274 -1.649 -6.080 415 3HZ LYS 55 3HZ LYS 55 14.872 -1.944 -4.518 416 H SER 56 H SER 56 10.981 0.905 -0.067 417 HA SER 56 HA SER 56 8.617 0.795 -0.101 418 1HB SER 56 1HB SER 56 8.406 3.239 -1.764 419 2HB SER 56 2HB SER 56 7.672 2.874 -0.206 420 HG SER 56 HG SER 56 9.151 4.094 0.593 421 H ASN 57 H ASN 57 9.663 2.223 -3.222 422 HA ASN 57 HA ASN 57 8.937 1.718 -5.425 423 1HB ASN 57 1HB ASN 57 9.471 -0.917 -5.672 424 2HB ASN 57 2HB ASN 57 10.737 0.296 -5.502 425 1HD2 ASN 57 1HD2 ASN 57 9.685 -2.632 -4.258 426 2HD2 ASN 57 2HD2 ASN 57 10.450 -2.566 -2.746 427 H PHE 58 H PHE 58 6.737 1.900 -5.838 428 HA PHE 58 HA PHE 58 5.087 -0.563 -5.354 429 1HB PHE 58 1HB PHE 58 3.620 1.991 -5.487 430 2HB PHE 58 2HB PHE 58 3.431 0.662 -4.349 431 HD1 PHE 58 1HD PHE 58 4.643 3.983 -4.809 432 HD2 PHE 58 2HD PHE 58 5.204 0.403 -2.512 433 HE1 PHE 58 1HE PHE 58 5.743 5.303 -3.023 434 HE2 PHE 58 2HE PHE 58 6.303 1.719 -0.735 435 HZ PHE 58 HZ PHE 58 6.574 4.166 -0.983 436 H ARG 59 H ARG 59 4.829 -1.375 -7.445 437 HA ARG 59 HA ARG 59 4.498 0.527 -9.705 438 1HB ARG 59 1HB ARG 59 4.286 -1.786 -10.937 439 2HB ARG 59 2HB ARG 59 5.856 -1.288 -10.320 440 1HG ARG 59 1HG ARG 59 5.879 -2.902 -8.698 441 2HG ARG 59 2HG ARG 59 4.142 -2.800 -8.430 442 1HD ARG 59 1HD ARG 59 4.865 -4.975 -9.489 443 2HD ARG 59 2HD ARG 59 3.713 -4.066 -10.486 444 HE ARG 59 HE ARG 59 5.531 -3.473 -11.955 445 1HH1 ARG 59 1HH2 ARG 59 6.182 -6.172 -10.121 446 2HH1 ARG 59 2HH2 ARG 59 7.904 -6.111 -10.296 447 1HH2 ARG 59 1HH1 ARG 59 7.908 -2.977 -11.780 448 2HH2 ARG 59 2HH1 ARG 59 8.881 -4.303 -11.235 449 H VAL 60 H VAL 60 2.481 1.372 -9.804 450 HA VAL 60 HA VAL 60 0.158 -0.081 -8.774 451 HB VAL 60 HB VAL 60 0.400 2.235 -8.270 452 1HG1 VAL 60 1HG1 VAL 60 1.779 3.211 -9.857 453 2HG1 VAL 60 2HG1 VAL 60 0.215 3.812 -10.409 454 3HG1 VAL 60 3HG1 VAL 60 0.958 2.425 -11.206 455 1HG2 VAL 60 1HG2 VAL 60 -1.645 2.337 -10.466 456 2HG2 VAL 60 2HG2 VAL 60 -1.742 2.969 -8.823 457 3HG2 VAL 60 3HG2 VAL 60 -1.893 1.236 -9.110 458 H GLN 61 H GLN 61 -1.693 -0.608 -9.907 459 HA GLN 61 HA GLN 61 -2.251 -0.213 -12.663 460 1HB GLN 61 1HB GLN 61 -1.571 -2.588 -13.386 461 2HB GLN 61 2HB GLN 61 -0.249 -1.447 -13.142 462 1HG GLN 61 1HG GLN 61 0.583 -2.639 -11.404 463 2HG GLN 61 2HG GLN 61 -1.014 -2.846 -10.682 464 1HE2 GLN 61 1HE2 GLN 61 -2.371 -4.654 -11.572 465 2HE2 GLN 61 2HE2 GLN 61 -1.613 -5.986 -12.299 466 H LEU 62 H LEU 62 -4.046 -1.784 -13.360 467 HA LEU 62 HA LEU 62 -5.212 -3.694 -11.580 468 1HB LEU 62 1HB LEU 62 -5.329 -1.164 -10.556 469 2HB LEU 62 2HB LEU 62 -6.861 -1.239 -11.416 470 HG LEU 62 HG LEU 62 -7.444 -3.310 -10.216 471 1HD1 LEU 62 1HD1 LEU 62 -4.711 -2.910 -8.978 472 2HD1 LEU 62 2HD1 LEU 62 -5.312 -4.329 -9.836 473 3HD1 LEU 62 3HD1 LEU 62 -5.947 -3.928 -8.242 474 1HD2 LEU 62 1HD2 LEU 62 -6.579 -1.624 -7.942 475 2HD2 LEU 62 2HD2 LEU 62 -8.198 -2.161 -8.394 476 3HD2 LEU 62 3HD2 LEU 62 -7.474 -0.771 -9.201 477 H PHE 63 H PHE 63 -6.237 -0.964 -13.665 478 HA PHE 63 HA PHE 63 -8.084 -2.840 -15.086 479 1HB PHE 63 1HB PHE 63 -8.608 -0.488 -13.895 480 2HB PHE 63 2HB PHE 63 -8.125 0.119 -15.478 481 HD1 PHE 63 1HD PHE 63 -9.652 0.094 -17.264 482 HD2 PHE 63 2HD PHE 63 -10.347 -2.416 -13.848 483 HE1 PHE 63 1HE PHE 63 -11.869 -0.538 -18.180 484 HE2 PHE 63 2HE PHE 63 -12.564 -3.048 -14.763 485 HZ PHE 63 HZ PHE 63 -13.324 -2.109 -16.929 486 H GLU 64 H GLU 64 -7.126 -3.646 -16.918 487 HA GLU 64 HA GLU 64 -4.907 -2.362 -18.266 488 1HB GLU 64 1HB GLU 64 -5.384 -4.209 -19.926 489 2HB GLU 64 2HB GLU 64 -5.213 -4.770 -18.263 490 1HG GLU 64 1HG GLU 64 -7.932 -4.096 -18.553 491 2HG GLU 64 2HG GLU 64 -7.504 -4.962 -20.028 492 H ASP 65 H ASP 65 -6.552 -0.283 -18.261 493 HA ASP 65 HA ASP 65 -7.867 1.194 -19.572 494 1HB ASP 65 1HB ASP 65 -5.683 1.043 -20.737 495 2HB ASP 65 2HB ASP 65 -6.286 -0.323 -21.675 Start of MODEL 9 1 1H MET 1 1HT MET 1 -9.576 -8.257 -6.440 2 2H MET 1 2HT MET 1 -8.682 -7.913 -5.037 3 3H MET 1 3HT MET 1 -9.632 -6.705 -5.760 4 HA MET 1 HA MET 1 -11.574 -8.379 -5.330 5 1HB MET 1 1HB MET 1 -9.388 -9.127 -3.360 6 2HB MET 1 2HB MET 1 -11.043 -9.736 -3.318 7 1HG MET 1 1HG MET 1 -10.745 -10.739 -5.542 8 2HG MET 1 2HG MET 1 -9.105 -10.092 -5.627 9 1HE MET 1 1HE MET 1 -11.525 -11.603 -3.378 10 2HE MET 1 2HE MET 1 -10.681 -12.748 -2.341 11 3HE MET 1 3HE MET 1 -11.236 -13.258 -3.934 12 H ASP 2 H ASP 2 -12.379 -6.212 -5.005 13 HA ASP 2 HA ASP 2 -11.623 -4.244 -3.207 14 1HB ASP 2 1HB ASP 2 -14.184 -3.885 -3.052 15 2HB ASP 2 2HB ASP 2 -13.467 -3.890 -4.663 16 H ASP 3 H ASP 3 -13.793 -7.005 -2.442 17 HA ASP 3 HA ASP 3 -14.414 -6.599 0.206 18 1HB ASP 3 1HB ASP 3 -15.130 -8.564 -0.961 19 2HB ASP 3 2HB ASP 3 -13.468 -9.076 -1.254 20 H GLN 4 H GLN 4 -11.235 -7.377 -1.088 21 HA GLN 4 HA GLN 4 -10.103 -7.055 1.670 22 1HB GLN 4 1HB GLN 4 -10.053 -9.400 1.114 23 2HB GLN 4 2HB GLN 4 -9.464 -9.059 -0.514 24 1HG GLN 4 1HG GLN 4 -7.316 -8.496 0.251 25 2HG GLN 4 2HG GLN 4 -7.881 -8.172 1.891 26 1HE2 GLN 4 1HE2 GLN 4 -5.944 -9.771 2.305 27 2HE2 GLN 4 2HE2 GLN 4 -6.331 -11.424 2.334 28 H GLY 5 H GLY 5 -8.481 -7.647 -1.426 29 1HA GLY 5 1HA GLY 5 -6.709 -6.424 -2.401 30 2HA GLY 5 2HA GLY 5 -7.901 -5.124 -2.358 31 H CYS 6 H CYS 6 -7.227 -3.337 -1.290 32 HA CYS 6 HA CYS 6 -4.832 -2.851 -0.071 33 1HB CYS 6 1HB CYS 6 -6.332 -1.060 -0.427 34 2HB CYS 6 2HB CYS 6 -7.633 -1.858 0.440 35 HA PRO 7 HA PRO 7 -5.223 -5.415 3.598 36 1HB PRO 7 1HB PRO 7 -2.529 -5.688 3.975 37 2HB PRO 7 2HB PRO 7 -3.444 -6.650 2.800 38 1HG PRO 7 1HG PRO 7 -1.549 -4.451 2.368 39 2HG PRO 7 2HG PRO 7 -2.075 -5.719 1.257 40 1HD PRO 7 1HD PRO 7 -2.954 -2.992 1.387 41 2HD PRO 7 2HD PRO 7 -3.482 -4.262 0.264 42 H ARG 8 H ARG 8 -3.804 -2.285 3.157 43 HA ARG 8 HA ARG 8 -3.283 -1.989 6.088 44 1HB ARG 8 1HB ARG 8 -1.749 -1.379 3.952 45 2HB ARG 8 2HB ARG 8 -2.622 0.148 4.111 46 1HG ARG 8 1HG ARG 8 -1.687 0.619 6.169 47 2HG ARG 8 2HG ARG 8 -1.486 -1.083 6.586 48 1HD ARG 8 1HD ARG 8 0.454 -1.291 5.200 49 2HD ARG 8 2HD ARG 8 0.114 0.241 4.371 50 HE ARG 8 HE ARG 8 1.128 1.340 6.209 51 1HH1 ARG 8 1HH2 ARG 8 1.915 -1.729 6.774 52 2HH1 ARG 8 2HH2 ARG 8 1.743 -1.713 8.498 53 1HH2 ARG 8 1HH1 ARG 8 0.101 1.340 8.572 54 2HH2 ARG 8 2HH1 ARG 8 0.717 0.025 9.516 55 H CYS 9 H CYS 9 -4.547 0.175 3.521 56 HA CYS 9 HA CYS 9 -6.385 1.374 5.550 57 1HB CYS 9 1HB CYS 9 -6.666 2.796 3.157 58 2HB CYS 9 2HB CYS 9 -5.702 3.269 4.541 59 H LYS 10 H LYS 10 -7.661 -0.870 5.159 60 HA LYS 10 HA LYS 10 -9.020 -1.554 2.862 61 1HB LYS 10 1HB LYS 10 -10.468 -2.711 4.286 62 2HB LYS 10 2HB LYS 10 -9.089 -2.421 5.339 63 1HG LYS 10 1HG LYS 10 -10.344 -0.247 6.008 64 2HG LYS 10 2HG LYS 10 -11.757 -1.033 5.300 65 1HD LYS 10 1HD LYS 10 -10.008 -2.379 7.376 66 2HD LYS 10 2HD LYS 10 -11.413 -1.403 7.809 67 1HE LYS 10 1HE LYS 10 -12.472 -3.456 7.628 68 2HE LYS 10 2HE LYS 10 -12.527 -3.004 5.913 69 1HZ LYS 10 1HZ LYS 10 -10.487 -4.156 5.533 70 2HZ LYS 10 2HZ LYS 10 -11.504 -5.226 6.374 71 3HZ LYS 10 3HZ LYS 10 -10.247 -4.426 7.191 72 H THR 11 H THR 11 -9.448 0.237 1.551 73 HA THR 11 HA THR 11 -12.022 1.429 1.536 74 HB THR 11 HB THR 11 -11.172 2.535 3.617 75 HG1 THR 11 1HG THR 11 -12.490 3.906 2.665 76 1HG2 THR 11 1HG2 THR 11 -8.964 2.969 3.653 77 2HG2 THR 11 2HG2 THR 11 -9.299 4.338 2.592 78 3HG2 THR 11 3HG2 THR 11 -8.846 2.777 1.903 79 H THR 12 H THR 12 -10.187 0.307 -0.317 80 HA THR 12 HA THR 12 -9.348 2.697 -1.909 81 HB THR 12 HB THR 12 -7.480 1.265 -2.606 82 HG1 THR 12 1HG THR 12 -9.014 -0.663 -2.010 83 1HG2 THR 12 1HG2 THR 12 -6.693 2.349 -0.791 84 2HG2 THR 12 2HG2 THR 12 -6.873 0.795 0.025 85 3HG2 THR 12 3HG2 THR 12 -8.143 2.010 0.147 86 H LYS 13 H LYS 13 -8.674 0.076 -3.764 87 HA LYS 13 HA LYS 13 -10.501 0.603 -5.776 88 1HB LYS 13 1HB LYS 13 -9.346 -1.098 -6.731 89 2HB LYS 13 2HB LYS 13 -8.485 -1.219 -5.209 90 1HG LYS 13 1HG LYS 13 -11.089 -2.674 -5.419 91 2HG LYS 13 2HG LYS 13 -9.699 -3.329 -6.276 92 1HD LYS 13 1HD LYS 13 -8.457 -2.878 -4.002 93 2HD LYS 13 2HD LYS 13 -10.091 -2.931 -3.328 94 1HE LYS 13 1HE LYS 13 -9.548 -5.204 -3.237 95 2HE LYS 13 2HE LYS 13 -10.213 -5.132 -4.882 96 1HZ LYS 13 1HZ LYS 13 -7.953 -4.610 -5.672 97 2HZ LYS 13 2HZ LYS 13 -8.034 -6.139 -4.938 98 3HZ LYS 13 3HZ LYS 13 -7.359 -4.825 -4.100 99 H TYR 14 H TYR 14 -11.074 -1.027 -2.750 100 HA TYR 14 HA TYR 14 -13.645 -2.169 -3.529 101 1HB TYR 14 1HB TYR 14 -12.316 -3.178 -1.763 102 2HB TYR 14 2HB TYR 14 -12.259 -1.656 -0.880 103 HD1 TYR 14 1HD TYR 14 -15.392 -2.291 -2.556 104 HD2 TYR 14 2HD TYR 14 -13.191 -3.062 1.052 105 HE1 TYR 14 1HE TYR 14 -17.500 -2.892 -1.398 106 HE2 TYR 14 2HE TYR 14 -15.299 -3.663 2.208 107 HH TYR 14 HH TYR 14 -18.109 -4.385 0.650 108 H ARG 15 H ARG 15 -12.581 0.529 -1.499 109 HA ARG 15 HA ARG 15 -15.292 1.721 -1.482 110 1HB ARG 15 1HB ARG 15 -12.641 2.118 -0.122 111 2HB ARG 15 2HB ARG 15 -13.856 3.381 -0.024 112 1HG ARG 15 1HG ARG 15 -13.922 1.747 1.892 113 2HG ARG 15 2HG ARG 15 -15.437 1.851 0.999 114 1HD ARG 15 1HD ARG 15 -14.913 -0.507 1.405 115 2HD ARG 15 2HD ARG 15 -14.710 -0.185 -0.320 116 HE ARG 15 HE ARG 15 -12.272 -0.128 0.057 117 1HH1 ARG 15 1HH1 ARG 15 -13.964 -0.325 3.011 118 2HH1 ARG 15 2HH1 ARG 15 -12.802 -1.354 3.781 119 1HH2 ARG 15 1HH2 ARG 15 -10.880 -1.766 0.924 120 2HH2 ARG 15 2HH2 ARG 15 -11.054 -2.165 2.600 121 H ASN 16 H ASN 16 -11.983 2.837 -2.110 122 HA ASN 16 HA ASN 16 -12.761 5.121 -3.744 123 1HB ASN 16 1HB ASN 16 -10.482 3.923 -2.440 124 2HB ASN 16 2HB ASN 16 -10.033 4.388 -4.071 125 1HD2 ASN 16 1HD2 ASN 16 -8.663 5.946 -2.626 126 2HD2 ASN 16 2HD2 ASN 16 -9.379 7.440 -2.243 127 HA PRO 17 HA PRO 17 -13.058 2.322 -7.288 128 1HB PRO 17 1HB PRO 17 -14.296 4.138 -8.929 129 2HB PRO 17 2HB PRO 17 -15.164 3.178 -7.713 130 1HG PRO 17 1HG PRO 17 -14.251 6.014 -7.618 131 2HG PRO 17 2HG PRO 17 -15.737 5.286 -6.990 132 1HD PRO 17 1HD PRO 17 -13.550 5.936 -5.453 133 2HD PRO 17 2HD PRO 17 -14.741 4.689 -5.019 134 H SER 18 H SER 18 -12.244 5.798 -7.683 135 HA SER 18 HA SER 18 -10.535 5.328 -9.990 136 1HB SER 18 1HB SER 18 -10.456 7.715 -8.146 137 2HB SER 18 2HB SER 18 -10.255 7.675 -9.895 138 HG SER 18 HG SER 18 -12.289 8.278 -9.767 139 H LEU 19 H LEU 19 -9.571 3.512 -8.235 140 HA LEU 19 HA LEU 19 -6.921 4.645 -7.472 141 1HB LEU 19 1HB LEU 19 -8.038 4.794 -5.412 142 2HB LEU 19 2HB LEU 19 -9.012 3.361 -5.730 143 HG LEU 19 HG LEU 19 -6.022 3.117 -5.454 144 1HD1 LEU 19 1HD1 LEU 19 -6.296 2.752 -3.053 145 2HD1 LEU 19 2HD1 LEU 19 -8.024 3.085 -3.179 146 3HD1 LEU 19 3HD1 LEU 19 -6.853 4.371 -3.476 147 1HD2 LEU 19 1HD2 LEU 19 -6.828 1.042 -6.061 148 2HD2 LEU 19 2HD2 LEU 19 -8.432 1.363 -5.409 149 3HD2 LEU 19 3HD2 LEU 19 -7.111 0.924 -4.330 150 H LYS 20 H LYS 20 -5.309 2.890 -7.134 151 HA LYS 20 HA LYS 20 -6.106 0.232 -8.238 152 1HB LYS 20 1HB LYS 20 -3.897 0.450 -9.590 153 2HB LYS 20 2HB LYS 20 -5.286 1.376 -10.157 154 1HG LYS 20 1HG LYS 20 -3.499 2.680 -8.156 155 2HG LYS 20 2HG LYS 20 -2.878 2.499 -9.797 156 1HD LYS 20 1HD LYS 20 -5.648 3.584 -9.344 157 2HD LYS 20 2HD LYS 20 -4.247 4.645 -9.189 158 1HE LYS 20 1HE LYS 20 -3.820 4.605 -11.451 159 2HE LYS 20 2HE LYS 20 -4.322 2.910 -11.613 160 1HZ LYS 20 1HZ LYS 20 -6.026 5.327 -11.358 161 2HZ LYS 20 2HZ LYS 20 -6.630 3.767 -11.061 162 3HZ LYS 20 3HZ LYS 20 -6.034 4.171 -12.600 163 H LEU 21 H LEU 21 -4.064 -1.284 -8.004 164 HA LEU 21 HA LEU 21 -2.930 -0.789 -5.279 165 1HB LEU 21 1HB LEU 21 -3.865 -3.156 -6.854 166 2HB LEU 21 2HB LEU 21 -2.611 -3.413 -5.643 167 HG LEU 21 HG LEU 21 -4.012 -2.725 -3.873 168 1HD1 LEU 21 1HD1 LEU 21 -5.957 -1.623 -5.931 169 2HD1 LEU 21 2HD1 LEU 21 -4.835 -0.641 -4.993 170 3HD1 LEU 21 3HD1 LEU 21 -6.126 -1.521 -4.180 171 1HD2 LEU 21 1HD2 LEU 21 -6.251 -3.831 -5.454 172 2HD2 LEU 21 2HD2 LEU 21 -5.547 -4.403 -3.941 173 3HD2 LEU 21 3HD2 LEU 21 -4.772 -4.793 -5.475 174 H MET 22 H MET 22 -0.676 -0.957 -4.969 175 HA MET 22 HA MET 22 0.927 -1.294 -7.466 176 1HB MET 22 1HB MET 22 2.297 -0.016 -5.241 177 2HB MET 22 2HB MET 22 2.026 0.597 -6.858 178 1HG MET 22 1HG MET 22 -0.245 1.315 -6.205 179 2HG MET 22 2HG MET 22 0.027 0.702 -4.580 180 1HE MET 22 1HE MET 22 2.691 2.581 -6.896 181 2HE MET 22 2HE MET 22 3.315 1.621 -5.558 182 3HE MET 22 3HE MET 22 3.503 3.372 -5.539 183 H VAL 23 H VAL 23 2.485 -2.852 -7.496 184 HA VAL 23 HA VAL 23 2.797 -4.521 -5.030 185 HB VAL 23 HB VAL 23 2.804 -4.964 -7.999 186 1HG1 VAL 23 1HG1 VAL 23 4.343 -6.537 -5.954 187 2HG1 VAL 23 2HG1 VAL 23 4.807 -6.100 -7.598 188 3HG1 VAL 23 3HG1 VAL 23 3.612 -7.368 -7.326 189 1HG2 VAL 23 1HG2 VAL 23 1.726 -7.074 -6.364 190 2HG2 VAL 23 2HG2 VAL 23 0.879 -6.007 -7.483 191 3HG2 VAL 23 3HG2 VAL 23 1.102 -5.523 -5.803 192 H ASN 24 H ASN 24 4.989 -5.396 -4.622 193 HA ASN 24 HA ASN 24 7.141 -3.573 -5.641 194 1HB ASN 24 1HB ASN 24 8.043 -4.594 -3.234 195 2HB ASN 24 2HB ASN 24 7.280 -3.022 -3.449 196 1HD2 ASN 24 1HD2 ASN 24 4.704 -3.226 -3.448 197 2HD2 ASN 24 2HD2 ASN 24 4.064 -4.215 -2.226 198 H VAL 25 H VAL 25 9.381 -4.652 -5.214 199 HA VAL 25 HA VAL 25 10.053 -6.580 -6.957 200 HB VAL 25 HB VAL 25 11.753 -5.589 -5.687 201 1HG1 VAL 25 1HG1 VAL 25 11.456 -6.579 -3.042 202 2HG1 VAL 25 2HG1 VAL 25 9.889 -5.933 -3.527 203 3HG1 VAL 25 3HG1 VAL 25 11.324 -4.909 -3.591 204 1HG2 VAL 25 1HG2 VAL 25 11.791 -8.238 -4.290 205 2HG2 VAL 25 2HG2 VAL 25 13.102 -7.378 -5.096 206 3HG2 VAL 25 3HG2 VAL 25 11.872 -8.206 -6.051 207 H CYS 26 H CYS 26 9.639 -7.789 -3.575 208 HA CYS 26 HA CYS 26 9.491 -10.494 -4.113 209 1HB CYS 26 1HB CYS 26 8.180 -10.633 -2.046 210 2HB CYS 26 2HB CYS 26 9.385 -9.355 -1.887 211 H GLY 27 H GLY 27 7.064 -8.070 -4.835 212 1HA GLY 27 1HA GLY 27 5.226 -8.259 -6.303 213 2HA GLY 27 2HA GLY 27 5.642 -9.952 -6.550 214 H HIS 28 H HIS 28 3.767 -7.711 -4.617 215 HA HIS 28 HA HIS 28 2.196 -10.024 -3.618 216 1HB HIS 28 1HB HIS 28 3.928 -8.204 -2.051 217 2HB HIS 28 2HB HIS 28 2.329 -8.501 -1.361 218 HD2 HIS 28 2HD HIS 28 2.206 -11.685 -2.554 219 HE1 HIS 28 1HE HIS 28 5.455 -12.252 0.069 220 HE2 HIS 28 2HE HIS 28 3.663 -13.426 -1.277 221 H THR 29 H THR 29 1.704 -6.955 -2.059 222 HA THR 29 HA THR 29 -0.112 -5.849 -4.044 223 HB THR 29 HB THR 29 -1.097 -7.651 -1.836 224 HG1 THR 29 1HG THR 29 -2.545 -8.018 -3.831 225 1HG2 THR 29 1HG2 THR 29 -2.690 -6.110 -1.347 226 2HG2 THR 29 2HG2 THR 29 -3.378 -6.525 -2.916 227 3HG2 THR 29 3HG2 THR 29 -2.303 -5.135 -2.765 228 H LEU 30 H LEU 30 -0.475 -3.746 -3.551 229 HA LEU 30 HA LEU 30 -0.618 -2.793 -0.763 230 1HB LEU 30 1HB LEU 30 1.815 -2.965 -1.474 231 2HB LEU 30 2HB LEU 30 1.479 -1.732 -2.675 232 HG LEU 30 HG LEU 30 0.562 -0.376 -0.672 233 1HD1 LEU 30 1HD1 LEU 30 1.509 -0.926 1.488 234 2HD1 LEU 30 2HD1 LEU 30 2.354 -2.305 0.793 235 3HD1 LEU 30 3HD1 LEU 30 0.595 -2.312 0.895 236 1HD2 LEU 30 1HD2 LEU 30 2.871 -0.271 -1.981 237 2HD2 LEU 30 2HD2 LEU 30 3.499 -0.782 -0.412 238 3HD2 LEU 30 3HD2 LEU 30 2.584 0.715 -0.550 239 H CYS 31 H CYS 31 -2.710 -2.089 -1.383 240 HA CYS 31 HA CYS 31 -3.620 -0.871 -3.660 241 1HB CYS 31 1HB CYS 31 -5.417 -0.495 -2.342 242 2HB CYS 31 2HB CYS 31 -4.467 -1.269 -1.084 243 H GLU 32 H GLU 32 -4.065 1.505 -4.082 244 HA GLU 32 HA GLU 32 -1.599 2.978 -4.218 245 1HB GLU 32 1HB GLU 32 -2.898 4.314 -5.542 246 2HB GLU 32 2HB GLU 32 -4.154 3.106 -5.296 247 1HG GLU 32 1HG GLU 32 -4.985 4.376 -3.340 248 2HG GLU 32 2HG GLU 32 -3.735 5.590 -3.604 249 H SER 33 H SER 33 -4.399 3.175 -2.048 250 HA SER 33 HA SER 33 -3.446 5.311 -0.401 251 1HB SER 33 1HB SER 33 -5.250 3.039 0.491 252 2HB SER 33 2HB SER 33 -5.316 4.741 0.945 253 HG SER 33 HG SER 33 -6.463 5.145 -0.740 254 H CYS 34 H CYS 34 -2.262 2.060 -0.642 255 HA CYS 34 HA CYS 34 -1.435 1.937 2.197 256 1HB CYS 34 1HB CYS 34 -1.195 0.193 -0.251 257 2HB CYS 34 2HB CYS 34 -0.110 -0.071 1.113 258 H VAL 35 H VAL 35 0.164 2.113 -0.991 259 HA VAL 35 HA VAL 35 2.825 2.462 -0.206 260 HB VAL 35 HB VAL 35 1.084 2.954 -2.488 261 1HG1 VAL 35 1HG1 VAL 35 1.614 5.232 -2.559 262 2HG1 VAL 35 2HG1 VAL 35 2.880 4.526 -3.563 263 3HG1 VAL 35 3HG1 VAL 35 3.226 4.976 -1.892 264 1HG2 VAL 35 1HG2 VAL 35 2.539 1.431 -3.245 265 2HG2 VAL 35 2HG2 VAL 35 3.551 1.666 -1.826 266 3HG2 VAL 35 3HG2 VAL 35 3.797 2.666 -3.254 267 H ASP 36 H ASP 36 0.143 4.634 0.280 268 HA ASP 36 HA ASP 36 1.842 6.995 0.714 269 1HB ASP 36 1HB ASP 36 -0.149 8.033 0.382 270 2HB ASP 36 2HB ASP 36 -0.816 6.443 0.041 271 H LEU 37 H LEU 37 -0.317 5.018 2.818 272 HA LEU 37 HA LEU 37 0.767 6.206 5.260 273 1HB LEU 37 1HB LEU 37 -1.310 4.304 4.386 274 2HB LEU 37 2HB LEU 37 -0.616 3.932 5.965 275 HG LEU 37 HG LEU 37 -2.609 5.457 6.079 276 1HD1 LEU 37 1HD1 LEU 37 -1.179 5.585 7.950 277 2HD1 LEU 37 2HD1 LEU 37 -1.348 7.265 7.437 278 3HD1 LEU 37 3HD1 LEU 37 0.107 6.359 7.024 279 1HD2 LEU 37 1HD2 LEU 37 -1.862 7.924 5.458 280 2HD2 LEU 37 2HD2 LEU 37 -2.551 6.864 4.230 281 3HD2 LEU 37 3HD2 LEU 37 -0.805 7.087 4.323 282 H LEU 38 H LEU 38 1.504 3.436 3.282 283 HA LEU 38 HA LEU 38 2.867 1.819 5.230 284 1HB LEU 38 1HB LEU 38 1.971 1.368 2.818 285 2HB LEU 38 2HB LEU 38 3.533 1.991 2.291 286 HG LEU 38 HG LEU 38 3.848 -0.353 2.451 287 1HD1 LEU 38 1HD1 LEU 38 5.518 -0.578 4.133 288 2HD1 LEU 38 2HD1 LEU 38 4.720 0.584 5.193 289 3HD1 LEU 38 3HD1 LEU 38 5.517 1.136 3.722 290 1HD2 LEU 38 1HD2 LEU 38 2.531 -0.240 5.186 291 2HD2 LEU 38 2HD2 LEU 38 3.085 -1.690 4.347 292 3HD2 LEU 38 3HD2 LEU 38 1.725 -0.766 3.708 293 H PHE 39 H PHE 39 4.034 4.273 2.908 294 HA PHE 39 HA PHE 39 6.797 4.016 3.880 295 1HB PHE 39 1HB PHE 39 5.573 5.960 1.930 296 2HB PHE 39 2HB PHE 39 7.267 5.465 2.016 297 HD1 PHE 39 1HD PHE 39 5.510 5.206 -0.472 298 HD2 PHE 39 2HD PHE 39 6.321 2.499 2.761 299 HE1 PHE 39 1HE PHE 39 4.978 3.281 -1.940 300 HE2 PHE 39 2HE PHE 39 5.787 0.578 1.295 301 HZ PHE 39 HZ PHE 39 5.096 0.969 -1.045 302 H VAL 40 H VAL 40 4.263 6.545 3.895 303 HA VAL 40 HA VAL 40 5.780 8.612 5.093 304 HB VAL 40 HB VAL 40 3.561 9.436 5.818 305 1HG1 VAL 40 1HG1 VAL 40 2.382 8.939 3.508 306 2HG1 VAL 40 2HG1 VAL 40 3.943 8.222 3.111 307 3HG1 VAL 40 3HG1 VAL 40 3.845 9.922 3.568 308 1HG2 VAL 40 1HG2 VAL 40 2.858 6.563 5.364 309 2HG2 VAL 40 2HG2 VAL 40 1.632 7.809 5.120 310 3HG2 VAL 40 3HG2 VAL 40 2.403 7.629 6.695 311 H ARG 41 H ARG 41 4.774 5.588 6.420 312 HA ARG 41 HA ARG 41 5.440 6.555 9.180 313 1HB ARG 41 1HB ARG 41 3.818 4.118 8.439 314 2HB ARG 41 2HB ARG 41 3.821 5.005 9.963 315 1HG ARG 41 1HG ARG 41 2.936 7.003 8.648 316 2HG ARG 41 2HG ARG 41 2.699 5.899 7.294 317 1HD ARG 41 1HD ARG 41 1.553 5.323 10.046 318 2HD ARG 41 2HD ARG 41 0.660 6.255 8.829 319 HE ARG 41 HE ARG 41 0.440 4.251 7.552 320 1HH1 ARG 41 1HH2 ARG 41 0.961 3.175 10.503 321 2HH1 ARG 41 2HH2 ARG 41 1.965 1.817 10.116 322 1HH2 ARG 41 1HH1 ARG 41 2.521 2.825 6.844 323 2HH2 ARG 41 2HH1 ARG 41 2.849 1.621 8.044 324 H GLY 42 H GLY 42 7.090 5.207 6.819 325 1HA GLY 42 1HA GLY 42 9.011 3.898 8.378 326 2HA GLY 42 2HA GLY 42 7.882 2.638 7.885 327 H ALA 43 H ALA 43 7.310 2.933 5.365 328 HA ALA 43 HA ALA 43 8.147 2.814 3.144 329 1HB ALA 43 1HB ALA 43 10.555 4.349 3.521 330 2HB ALA 43 2HB ALA 43 9.252 5.086 4.452 331 3HB ALA 43 3HB ALA 43 9.062 4.834 2.716 332 H GLY 44 H GLY 44 8.839 0.675 2.948 333 1HA GLY 44 1HA GLY 44 11.028 -0.455 2.298 334 2HA GLY 44 2HA GLY 44 11.627 0.085 3.867 335 H ASN 45 H ASN 45 8.370 -1.159 3.257 336 HA ASN 45 HA ASN 45 9.051 -3.782 4.452 337 1HB ASN 45 1HB ASN 45 7.072 -1.874 5.734 338 2HB ASN 45 2HB ASN 45 7.585 -3.441 6.359 339 1HD2 ASN 45 1HD2 ASN 45 8.626 -0.082 5.844 340 2HD2 ASN 45 2HD2 ASN 45 9.996 -0.173 6.843 341 H CYS 46 H CYS 46 7.919 -5.214 3.206 342 HA CYS 46 HA CYS 46 5.814 -4.507 1.406 343 1HB CYS 46 1HB CYS 46 7.313 -6.482 1.256 344 2HB CYS 46 2HB CYS 46 6.534 -7.168 2.680 345 HA PRO 47 HA PRO 47 2.353 -4.259 4.123 346 1HB PRO 47 1HB PRO 47 0.390 -4.829 2.276 347 2HB PRO 47 2HB PRO 47 1.231 -3.280 2.373 348 1HG PRO 47 1HG PRO 47 1.788 -5.628 0.599 349 2HG PRO 47 2HG PRO 47 1.648 -3.918 0.162 350 1HD PRO 47 1HD PRO 47 4.032 -5.086 0.489 351 2HD PRO 47 2HD PRO 47 3.762 -3.418 1.022 352 H GLU 48 H GLU 48 3.476 -7.087 2.639 353 HA GLU 48 HA GLU 48 1.674 -8.735 4.357 354 1HB GLU 48 1HB GLU 48 0.896 -9.845 2.545 355 2HB GLU 48 2HB GLU 48 1.582 -8.535 1.594 356 1HG GLU 48 1HG GLU 48 3.512 -9.775 1.048 357 2HG GLU 48 2HG GLU 48 3.261 -10.923 2.365 358 H CYS 49 H CYS 49 4.662 -9.121 2.343 359 HA CYS 49 HA CYS 49 5.729 -10.879 4.501 360 1HB CYS 49 1HB CYS 49 6.986 -11.908 2.816 361 2HB CYS 49 2HB CYS 49 5.538 -11.426 1.945 362 H GLY 50 H GLY 50 5.654 -8.095 5.004 363 1HA GLY 50 1HA GLY 50 7.284 -6.163 4.821 364 2HA GLY 50 2HA GLY 50 7.425 -6.998 6.363 365 H THR 51 H THR 51 8.765 -6.969 3.068 366 HA THR 51 HA THR 51 11.302 -8.121 4.158 367 HB THR 51 HB THR 51 9.664 -8.812 2.036 368 HG1 THR 51 1HG THR 51 11.537 -10.058 1.404 369 1HG2 THR 51 1HG2 THR 51 12.008 -7.229 0.949 370 2HG2 THR 51 2HG2 THR 51 10.296 -6.917 0.671 371 3HG2 THR 51 3HG2 THR 51 11.049 -8.361 -0.003 372 HA PRO 52 HA PRO 52 13.544 -4.438 3.328 373 1HB PRO 52 1HB PRO 52 15.570 -5.126 1.605 374 2HB PRO 52 2HB PRO 52 15.557 -5.567 3.325 375 1HG PRO 52 1HG PRO 52 14.806 -7.189 0.929 376 2HG PRO 52 2HG PRO 52 15.728 -7.665 2.366 377 1HD PRO 52 1HD PRO 52 13.108 -8.280 2.011 378 2HD PRO 52 2HD PRO 52 13.818 -8.007 3.617 379 H LEU 53 H LEU 53 11.712 -3.480 2.163 380 HA LEU 53 HA LEU 53 11.668 -3.625 -0.781 381 1HB LEU 53 1HB LEU 53 9.956 -2.866 1.447 382 2HB LEU 53 2HB LEU 53 9.922 -1.641 0.181 383 HG LEU 53 HG LEU 53 9.114 -3.156 -1.431 384 1HD1 LEU 53 1HD1 LEU 53 9.016 -5.707 -0.331 385 2HD1 LEU 53 2HD1 LEU 53 10.586 -5.098 0.191 386 3HD1 LEU 53 3HD1 LEU 53 10.187 -5.148 -1.525 387 1HD2 LEU 53 1HD2 LEU 53 7.074 -3.415 -0.509 388 2HD2 LEU 53 2HD2 LEU 53 7.787 -2.915 1.025 389 3HD2 LEU 53 3HD2 LEU 53 7.674 -4.628 0.622 390 H ARG 54 H ARG 54 14.046 -2.416 0.567 391 HA ARG 54 HA ARG 54 15.442 -0.536 0.269 392 1HB ARG 54 1HB ARG 54 13.376 -0.080 -1.908 393 2HB ARG 54 2HB ARG 54 14.923 0.756 -1.805 394 1HG ARG 54 1HG ARG 54 15.062 -2.199 -1.636 395 2HG ARG 54 2HG ARG 54 14.549 -1.554 -3.196 396 1HD ARG 54 1HD ARG 54 16.695 -0.986 -3.666 397 2HD ARG 54 2HD ARG 54 16.762 0.014 -2.200 398 HE ARG 54 HE ARG 54 17.843 -2.663 -2.471 399 1HH1 ARG 54 1HH2 ARG 54 17.787 -0.111 -0.414 400 2HH1 ARG 54 2HH2 ARG 54 17.690 -1.023 1.056 401 1HH2 ARG 54 1HH1 ARG 54 17.033 -4.031 -0.539 402 2HH2 ARG 54 2HH1 ARG 54 17.263 -3.240 0.985 403 H LYS 55 H LYS 55 12.364 0.981 -0.687 404 HA LYS 55 HA LYS 55 11.964 2.296 1.877 405 1HB LYS 55 1HB LYS 55 12.761 4.471 1.280 406 2HB LYS 55 2HB LYS 55 14.037 3.349 0.811 407 1HG LYS 55 1HG LYS 55 11.903 4.238 -1.136 408 2HG LYS 55 2HG LYS 55 13.392 5.149 -0.906 409 1HD LYS 55 1HD LYS 55 14.679 3.056 -1.411 410 2HD LYS 55 2HD LYS 55 13.154 2.257 -1.787 411 1HE LYS 55 1HE LYS 55 12.872 3.438 -3.759 412 2HE LYS 55 2HE LYS 55 13.724 4.868 -3.140 413 1HZ LYS 55 1HZ LYS 55 15.784 3.826 -3.400 414 2HZ LYS 55 2HZ LYS 55 14.947 3.368 -4.805 415 3HZ LYS 55 3HZ LYS 55 15.107 2.275 -3.514 416 H SER 56 H SER 56 11.297 2.175 -1.604 417 HA SER 56 HA SER 56 8.431 2.352 -1.153 418 1HB SER 56 1HB SER 56 8.250 4.548 -2.417 419 2HB SER 56 2HB SER 56 8.933 4.671 -0.798 420 HG SER 56 HG SER 56 10.112 5.108 -3.233 421 H ASN 57 H ASN 57 9.475 0.338 -2.493 422 HA ASN 57 HA ASN 57 9.560 1.036 -5.401 423 1HB ASN 57 1HB ASN 57 10.522 -1.307 -5.521 424 2HB ASN 57 2HB ASN 57 11.468 -0.185 -4.541 425 1HD2 ASN 57 1HD2 ASN 57 10.497 -3.295 -4.486 426 2HD2 ASN 57 2HD2 ASN 57 10.280 -3.526 -2.820 427 H PHE 58 H PHE 58 7.096 1.283 -5.207 428 HA PHE 58 HA PHE 58 5.799 -1.403 -5.479 429 1HB PHE 58 1HB PHE 58 4.588 1.125 -4.285 430 2HB PHE 58 2HB PHE 58 3.875 -0.481 -4.292 431 HD1 PHE 58 1HD PHE 58 7.096 1.165 -3.202 432 HD2 PHE 58 2HD PHE 58 4.081 -1.799 -2.430 433 HE1 PHE 58 1HE PHE 58 8.238 0.542 -1.090 434 HE2 PHE 58 2HE PHE 58 5.221 -2.408 -0.317 435 HZ PHE 58 HZ PHE 58 7.300 -1.237 0.352 436 H ARG 59 H ARG 59 5.152 -1.619 -7.560 437 HA ARG 59 HA ARG 59 4.710 0.787 -9.230 438 1HB ARG 59 1HB ARG 59 4.276 -1.261 -10.926 439 2HB ARG 59 2HB ARG 59 5.895 -0.713 -10.511 440 1HG ARG 59 1HG ARG 59 6.131 -2.468 -8.850 441 2HG ARG 59 2HG ARG 59 4.447 -2.952 -9.067 442 1HD ARG 59 1HD ARG 59 5.541 -4.502 -10.449 443 2HD ARG 59 2HD ARG 59 5.219 -3.202 -11.615 444 HE ARG 59 HE ARG 59 7.835 -3.949 -10.568 445 1HH1 ARG 59 1HH1 ARG 59 7.418 -2.757 -13.269 446 2HH1 ARG 59 2HH1 ARG 59 8.052 -1.158 -13.071 447 1HH2 ARG 59 1HH2 ARG 59 7.995 -1.275 -9.606 448 2HH2 ARG 59 2HH2 ARG 59 8.380 -0.318 -10.998 449 H VAL 60 H VAL 60 2.738 1.671 -9.043 450 HA VAL 60 HA VAL 60 0.356 0.080 -8.386 451 HB VAL 60 HB VAL 60 0.948 2.275 -7.395 452 1HG1 VAL 60 1HG1 VAL 60 1.646 2.966 -9.945 453 2HG1 VAL 60 2HG1 VAL 60 1.351 4.130 -8.653 454 3HG1 VAL 60 3HG1 VAL 60 0.070 3.747 -9.803 455 1HG2 VAL 60 1HG2 VAL 60 -1.558 1.408 -8.359 456 2HG2 VAL 60 2HG2 VAL 60 -1.469 3.124 -8.759 457 3HG2 VAL 60 3HG2 VAL 60 -1.270 2.597 -7.088 458 H GLN 61 H GLN 61 -1.385 -0.272 -9.730 459 HA GLN 61 HA GLN 61 -1.885 0.997 -12.243 460 1HB GLN 61 1HB GLN 61 -1.141 -1.027 -13.641 461 2HB GLN 61 2HB GLN 61 0.153 -0.018 -12.993 462 1HG GLN 61 1HG GLN 61 0.403 -1.581 -11.091 463 2HG GLN 61 2HG GLN 61 -0.880 -2.591 -11.756 464 1HE2 GLN 61 1HE2 GLN 61 0.089 -4.397 -12.699 465 2HE2 GLN 61 2HE2 GLN 61 1.477 -4.360 -13.675 466 H LEU 62 H LEU 62 -3.586 -0.299 -13.496 467 HA LEU 62 HA LEU 62 -4.897 -2.466 -11.953 468 1HB LEU 62 1HB LEU 62 -5.550 0.231 -11.604 469 2HB LEU 62 2HB LEU 62 -6.796 -0.377 -12.695 470 HG LEU 62 HG LEU 62 -7.323 -2.185 -11.138 471 1HD1 LEU 62 1HD1 LEU 62 -6.181 -2.030 -8.824 472 2HD1 LEU 62 2HD1 LEU 62 -4.950 -1.070 -9.641 473 3HD1 LEU 62 3HD1 LEU 62 -5.244 -2.735 -10.140 474 1HD2 LEU 62 1HD2 LEU 62 -8.658 -0.381 -10.556 475 2HD2 LEU 62 2HD2 LEU 62 -7.279 0.650 -10.172 476 3HD2 LEU 62 3HD2 LEU 62 -7.782 -0.607 -9.042 477 H PHE 63 H PHE 63 -3.696 -2.714 -14.456 478 HA PHE 63 HA PHE 63 -6.073 -3.209 -16.185 479 1HB PHE 63 1HB PHE 63 -5.220 -1.015 -16.817 480 2HB PHE 63 2HB PHE 63 -3.576 -1.646 -16.917 481 HD1 PHE 63 1HD PHE 63 -6.965 -1.814 -18.435 482 HD2 PHE 63 2HD PHE 63 -2.812 -2.829 -18.852 483 HE1 PHE 63 1HE PHE 63 -7.361 -2.467 -20.795 484 HE2 PHE 63 2HE PHE 63 -3.207 -3.482 -21.211 485 HZ PHE 63 HZ PHE 63 -5.482 -3.301 -22.183 486 H GLU 64 H GLU 64 -5.463 -5.457 -15.448 487 HA GLU 64 HA GLU 64 -2.914 -6.540 -16.479 488 1HB GLU 64 1HB GLU 64 -4.685 -7.069 -14.375 489 2HB GLU 64 2HB GLU 64 -4.893 -8.433 -15.474 490 1HG GLU 64 1HG GLU 64 -2.504 -8.881 -15.447 491 2HG GLU 64 2HG GLU 64 -2.204 -7.425 -14.498 492 H ASP 65 H ASP 65 -3.978 -5.761 -18.737 493 HA ASP 65 HA ASP 65 -4.797 -8.228 -20.100 494 1HB ASP 65 1HB ASP 65 -6.840 -7.101 -18.968 495 2HB ASP 65 2HB ASP 65 -6.668 -5.860 -20.209 Start of MODEL 10 1 1H MET 1 1HT MET 1 -12.147 -6.789 -7.649 2 2H MET 1 2HT MET 1 -11.300 -7.854 -6.632 3 3H MET 1 3HT MET 1 -10.896 -7.745 -8.278 4 HA MET 1 HA MET 1 -9.235 -6.459 -7.363 5 1HB MET 1 1HB MET 1 -11.537 -5.212 -8.572 6 2HB MET 1 2HB MET 1 -10.788 -4.082 -7.442 7 1HG MET 1 1HG MET 1 -9.842 -3.991 -9.785 8 2HG MET 1 2HG MET 1 -8.643 -4.317 -8.534 9 1HE MET 1 1HE MET 1 -8.053 -4.827 -11.509 10 2HE MET 1 2HE MET 1 -7.266 -6.402 -11.450 11 3HE MET 1 3HE MET 1 -6.934 -5.212 -10.193 12 H ASP 2 H ASP 2 -12.169 -4.984 -5.922 13 HA ASP 2 HA ASP 2 -10.903 -3.966 -3.596 14 1HB ASP 2 1HB ASP 2 -13.747 -4.986 -3.854 15 2HB ASP 2 2HB ASP 2 -13.171 -3.679 -2.818 16 H ASP 3 H ASP 3 -12.497 -5.071 -1.484 17 HA ASP 3 HA ASP 3 -12.344 -6.772 0.146 18 1HB ASP 3 1HB ASP 3 -12.373 -8.256 -2.492 19 2HB ASP 3 2HB ASP 3 -12.489 -9.082 -0.937 20 H GLN 4 H GLN 4 -10.463 -8.597 -2.214 21 HA GLN 4 HA GLN 4 -8.302 -9.030 -0.326 22 1HB GLN 4 1HB GLN 4 -9.300 -10.433 -2.327 23 2HB GLN 4 2HB GLN 4 -8.123 -9.532 -3.282 24 1HG GLN 4 1HG GLN 4 -7.189 -11.681 -2.459 25 2HG GLN 4 2HG GLN 4 -6.316 -10.296 -1.801 26 1HE2 GLN 4 1HE2 GLN 4 -5.692 -11.733 0.052 27 2HE2 GLN 4 2HE2 GLN 4 -6.810 -12.029 1.294 28 H GLY 5 H GLY 5 -8.944 -6.579 -2.691 29 1HA GLY 5 1HA GLY 5 -6.285 -5.887 -3.449 30 2HA GLY 5 2HA GLY 5 -7.648 -4.769 -3.438 31 H CYS 6 H CYS 6 -7.117 -3.015 -2.247 32 HA CYS 6 HA CYS 6 -5.118 -2.413 -0.565 33 1HB CYS 6 1HB CYS 6 -6.763 -0.775 -0.998 34 2HB CYS 6 2HB CYS 6 -8.066 -1.790 -0.433 35 HA PRO 7 HA PRO 7 -5.835 -5.561 2.644 36 1HB PRO 7 1HB PRO 7 -3.188 -5.908 3.231 37 2HB PRO 7 2HB PRO 7 -4.002 -6.755 1.902 38 1HG PRO 7 1HG PRO 7 -2.172 -4.417 1.841 39 2HG PRO 7 2HG PRO 7 -2.369 -5.729 0.671 40 1HD PRO 7 1HD PRO 7 -3.412 -3.164 0.423 41 2HD PRO 7 2HD PRO 7 -3.963 -4.590 -0.477 42 H ARG 8 H ARG 8 -3.332 -2.989 2.822 43 HA ARG 8 HA ARG 8 -3.273 -2.717 5.645 44 1HB ARG 8 1HB ARG 8 -1.870 -1.738 3.577 45 2HB ARG 8 2HB ARG 8 -2.842 -0.307 3.927 46 1HG ARG 8 1HG ARG 8 -1.468 0.160 5.642 47 2HG ARG 8 2HG ARG 8 -1.972 -1.339 6.424 48 1HD ARG 8 1HD ARG 8 -0.122 -2.530 5.608 49 2HD ARG 8 2HD ARG 8 0.115 -1.417 4.247 50 HE ARG 8 HE ARG 8 1.533 -0.236 5.728 51 1HH1 ARG 8 1HH2 ARG 8 -0.688 1.036 7.176 52 2HH1 ARG 8 2HH2 ARG 8 -0.445 0.512 8.809 53 1HH2 ARG 8 1HH1 ARG 8 1.678 -2.087 7.942 54 2HH2 ARG 8 2HH1 ARG 8 0.895 -1.255 9.244 55 H CYS 9 H CYS 9 -5.120 -0.597 3.336 56 HA CYS 9 HA CYS 9 -6.755 0.199 5.723 57 1HB CYS 9 1HB CYS 9 -7.302 1.987 3.624 58 2HB CYS 9 2HB CYS 9 -6.321 2.297 5.044 59 H LYS 10 H LYS 10 -7.264 -2.197 4.009 60 HA LYS 10 HA LYS 10 -8.968 -2.733 2.211 61 1HB LYS 10 1HB LYS 10 -10.479 -3.916 3.688 62 2HB LYS 10 2HB LYS 10 -8.865 -3.942 4.401 63 1HG LYS 10 1HG LYS 10 -9.550 -2.753 6.198 64 2HG LYS 10 2HG LYS 10 -10.390 -1.576 5.191 65 1HD LYS 10 1HD LYS 10 -11.994 -2.750 6.632 66 2HD LYS 10 2HD LYS 10 -12.277 -3.176 4.944 67 1HE LYS 10 1HE LYS 10 -10.509 -5.122 5.599 68 2HE LYS 10 2HE LYS 10 -11.273 -4.865 7.181 69 1HZ LYS 10 1HZ LYS 10 -12.780 -6.273 6.196 70 2HZ LYS 10 2HZ LYS 10 -12.473 -5.699 4.625 71 3HZ LYS 10 3HZ LYS 10 -13.417 -4.782 5.700 72 H THR 11 H THR 11 -9.363 -0.287 1.457 73 HA THR 11 HA THR 11 -12.250 0.173 1.782 74 HB THR 11 HB THR 11 -10.729 1.199 3.716 75 HG1 THR 11 1HG THR 11 -12.909 1.508 3.648 76 1HG2 THR 11 1HG2 THR 11 -10.234 3.604 3.193 77 2HG2 THR 11 2HG2 THR 11 -10.575 3.263 1.494 78 3HG2 THR 11 3HG2 THR 11 -9.219 2.470 2.302 79 H THR 12 H THR 12 -9.211 1.677 0.632 80 HA THR 12 HA THR 12 -10.077 3.503 -1.211 81 HB THR 12 HB THR 12 -8.004 2.808 -2.491 82 HG1 THR 12 1HG THR 12 -8.522 0.517 -1.348 83 1HG2 THR 12 1HG2 THR 12 -6.625 3.648 -0.807 84 2HG2 THR 12 2HG2 THR 12 -7.506 2.800 0.465 85 3HG2 THR 12 3HG2 THR 12 -8.224 4.212 -0.314 86 H LYS 13 H LYS 13 -8.843 0.933 -3.141 87 HA LYS 13 HA LYS 13 -10.606 1.075 -5.209 88 1HB LYS 13 1HB LYS 13 -9.614 -0.900 -5.884 89 2HB LYS 13 2HB LYS 13 -8.542 -0.432 -4.590 90 1HG LYS 13 1HG LYS 13 -10.917 -2.171 -4.022 91 2HG LYS 13 2HG LYS 13 -9.391 -2.854 -4.583 92 1HD LYS 13 1HD LYS 13 -8.235 -1.627 -2.742 93 2HD LYS 13 2HD LYS 13 -9.820 -1.122 -2.128 94 1HE LYS 13 1HE LYS 13 -9.333 -4.058 -2.625 95 2HE LYS 13 2HE LYS 13 -8.700 -3.317 -1.147 96 1HZ LYS 13 1HZ LYS 13 -10.854 -2.454 -0.646 97 2HZ LYS 13 2HZ LYS 13 -10.998 -4.124 -0.909 98 3HZ LYS 13 3HZ LYS 13 -11.489 -3.027 -2.110 99 H TYR 14 H TYR 14 -11.446 -0.318 -2.090 100 HA TYR 14 HA TYR 14 -13.879 -1.584 -3.079 101 1HB TYR 14 1HB TYR 14 -12.638 -2.145 -0.946 102 2HB TYR 14 2HB TYR 14 -13.180 -0.621 -0.269 103 HD1 TYR 14 1HD TYR 14 -15.768 -1.474 -2.374 104 HD2 TYR 14 2HD TYR 14 -13.967 -2.795 1.296 105 HE1 TYR 14 1HE TYR 14 -17.899 -2.558 -1.719 106 HE2 TYR 14 2HE TYR 14 -16.099 -3.879 1.950 107 HH TYR 14 HH TYR 14 -18.462 -3.731 1.457 108 H ARG 15 H ARG 15 -13.068 1.431 -1.413 109 HA ARG 15 HA ARG 15 -15.719 2.632 -1.986 110 1HB ARG 15 1HB ARG 15 -13.320 3.122 -0.296 111 2HB ARG 15 2HB ARG 15 -14.201 4.554 -0.812 112 1HG ARG 15 1HG ARG 15 -15.715 4.135 0.810 113 2HG ARG 15 2HG ARG 15 -16.136 2.632 -0.016 114 1HD ARG 15 1HD ARG 15 -13.782 2.896 1.871 115 2HD ARG 15 2HD ARG 15 -15.375 2.303 2.375 116 HE ARG 15 HE ARG 15 -13.662 0.989 0.268 117 1HH1 ARG 15 1HH2 ARG 15 -16.519 0.273 0.047 118 2HH1 ARG 15 2HH2 ARG 15 -16.663 -1.100 1.094 119 1HH2 ARG 15 1HH1 ARG 15 -13.698 -0.461 2.774 120 2HH2 ARG 15 2HH1 ARG 15 -15.064 -1.515 2.637 121 H ASN 16 H ASN 16 -12.374 3.781 -2.269 122 HA ASN 16 HA ASN 16 -12.815 5.715 -4.313 123 1HB ASN 16 1HB ASN 16 -10.493 4.191 -3.150 124 2HB ASN 16 2HB ASN 16 -10.229 5.245 -4.540 125 1HD2 ASN 16 1HD2 ASN 16 -8.874 6.170 -2.477 126 2HD2 ASN 16 2HD2 ASN 16 -9.662 7.434 -1.661 127 HA PRO 17 HA PRO 17 -13.001 2.690 -7.632 128 1HB PRO 17 1HB PRO 17 -13.993 4.427 -9.511 129 2HB PRO 17 2HB PRO 17 -15.016 3.649 -8.286 130 1HG PRO 17 1HG PRO 17 -13.988 6.425 -8.434 131 2HG PRO 17 2HG PRO 17 -15.486 5.811 -7.723 132 1HD PRO 17 1HD PRO 17 -13.160 6.530 -6.335 133 2HD PRO 17 2HD PRO 17 -14.521 5.594 -5.684 134 H SER 18 H SER 18 -12.097 6.079 -8.465 135 HA SER 18 HA SER 18 -10.111 5.318 -10.422 136 1HB SER 18 1HB SER 18 -9.666 7.657 -10.462 137 2HB SER 18 2HB SER 18 -11.362 7.562 -9.995 138 HG SER 18 HG SER 18 -10.899 8.140 -8.004 139 H LEU 19 H LEU 19 -9.177 3.594 -8.956 140 HA LEU 19 HA LEU 19 -6.819 4.631 -7.502 141 1HB LEU 19 1HB LEU 19 -7.618 4.074 -5.394 142 2HB LEU 19 2HB LEU 19 -9.141 4.407 -6.179 143 HG LEU 19 HG LEU 19 -9.427 2.359 -5.009 144 1HD1 LEU 19 1HD1 LEU 19 -9.234 0.696 -7.198 145 2HD1 LEU 19 2HD1 LEU 19 -9.299 2.278 -7.942 146 3HD1 LEU 19 3HD1 LEU 19 -10.588 1.771 -6.880 147 1HD2 LEU 19 1HD2 LEU 19 -7.738 0.448 -6.026 148 2HD2 LEU 19 2HD2 LEU 19 -7.573 1.234 -4.457 149 3HD2 LEU 19 3HD2 LEU 19 -6.698 1.836 -5.838 150 H LYS 20 H LYS 20 -5.299 2.823 -6.903 151 HA LYS 20 HA LYS 20 -5.950 0.166 -8.004 152 1HB LYS 20 1HB LYS 20 -3.771 0.346 -9.411 153 2HB LYS 20 2HB LYS 20 -5.184 1.221 -10.005 154 1HG LYS 20 1HG LYS 20 -3.583 2.775 -8.099 155 2HG LYS 20 2HG LYS 20 -2.689 2.331 -9.553 156 1HD LYS 20 1HD LYS 20 -5.459 3.549 -9.637 157 2HD LYS 20 2HD LYS 20 -3.989 4.522 -9.684 158 1HE LYS 20 1HE LYS 20 -3.257 3.363 -11.724 159 2HE LYS 20 2HE LYS 20 -4.680 2.303 -11.651 160 1HZ LYS 20 1HZ LYS 20 -4.535 5.210 -12.161 161 2HZ LYS 20 2HZ LYS 20 -5.944 4.541 -11.490 162 3HZ LYS 20 3HZ LYS 20 -5.397 4.023 -13.012 163 H LEU 21 H LEU 21 -4.009 -1.335 -7.681 164 HA LEU 21 HA LEU 21 -2.636 -0.634 -5.109 165 1HB LEU 21 1HB LEU 21 -3.897 -3.125 -6.243 166 2HB LEU 21 2HB LEU 21 -2.688 -3.247 -4.966 167 HG LEU 21 HG LEU 21 -4.036 -1.885 -3.482 168 1HD1 LEU 21 1HD1 LEU 21 -5.607 -1.393 -5.994 169 2HD1 LEU 21 2HD1 LEU 21 -5.089 -0.242 -4.763 170 3HD1 LEU 21 3HD1 LEU 21 -6.437 -1.330 -4.441 171 1HD2 LEU 21 1HD2 LEU 21 -6.331 -3.314 -3.916 172 2HD2 LEU 21 2HD2 LEU 21 -4.909 -3.947 -3.087 173 3HD2 LEU 21 3HD2 LEU 21 -5.149 -4.277 -4.802 174 H MET 22 H MET 22 -0.392 -1.014 -5.001 175 HA MET 22 HA MET 22 0.875 -1.764 -7.590 176 1HB MET 22 1HB MET 22 2.670 -0.944 -5.507 177 2HB MET 22 2HB MET 22 2.383 -0.165 -7.040 178 1HG MET 22 1HG MET 22 0.240 0.786 -5.932 179 2HG MET 22 2HG MET 22 1.010 0.338 -4.412 180 1HE MET 22 1HE MET 22 1.155 4.227 -5.133 181 2HE MET 22 2HE MET 22 -0.010 2.908 -5.058 182 3HE MET 22 3HE MET 22 0.573 3.470 -6.622 183 H VAL 23 H VAL 23 2.814 -3.117 -7.457 184 HA VAL 23 HA VAL 23 2.701 -5.091 -5.209 185 HB VAL 23 HB VAL 23 2.387 -5.318 -8.084 186 1HG1 VAL 23 1HG1 VAL 23 4.877 -5.826 -7.907 187 2HG1 VAL 23 2HG1 VAL 23 3.896 -7.131 -8.572 188 3HG1 VAL 23 3HG1 VAL 23 4.443 -7.205 -6.898 189 1HG2 VAL 23 1HG2 VAL 23 1.696 -7.633 -7.412 190 2HG2 VAL 23 2HG2 VAL 23 0.898 -6.359 -6.489 191 3HG2 VAL 23 3HG2 VAL 23 2.230 -7.263 -5.773 192 H ASN 24 H ASN 24 5.006 -6.297 -5.199 193 HA ASN 24 HA ASN 24 7.126 -4.316 -5.901 194 1HB ASN 24 1HB ASN 24 7.933 -5.212 -3.436 195 2HB ASN 24 2HB ASN 24 7.082 -3.697 -3.726 196 1HD2 ASN 24 1HD2 ASN 24 5.725 -3.602 -1.895 197 2HD2 ASN 24 2HD2 ASN 24 4.587 -4.794 -1.492 198 H VAL 25 H VAL 25 9.337 -5.270 -5.404 199 HA VAL 25 HA VAL 25 10.014 -7.400 -6.995 200 HB VAL 25 HB VAL 25 11.664 -5.986 -6.021 201 1HG1 VAL 25 1HG1 VAL 25 11.632 -6.818 -3.262 202 2HG1 VAL 25 2HG1 VAL 25 10.038 -6.216 -3.711 203 3HG1 VAL 25 3HG1 VAL 25 11.459 -5.194 -3.926 204 1HG2 VAL 25 1HG2 VAL 25 12.061 -8.535 -4.467 205 2HG2 VAL 25 2HG2 VAL 25 13.274 -7.526 -5.258 206 3HG2 VAL 25 3HG2 VAL 25 12.178 -8.512 -6.227 207 H CYS 26 H CYS 26 8.820 -7.614 -3.642 208 HA CYS 26 HA CYS 26 9.312 -10.468 -3.403 209 1HB CYS 26 1HB CYS 26 8.168 -10.203 -1.310 210 2HB CYS 26 2HB CYS 26 9.062 -8.707 -1.568 211 H GLY 27 H GLY 27 6.527 -8.462 -4.336 212 1HA GLY 27 1HA GLY 27 4.901 -9.236 -5.958 213 2HA GLY 27 2HA GLY 27 5.292 -10.896 -5.511 214 H HIS 28 H HIS 28 3.568 -7.982 -4.467 215 HA HIS 28 HA HIS 28 1.613 -9.698 -3.093 216 1HB HIS 28 1HB HIS 28 3.610 -7.947 -1.717 217 2HB HIS 28 2HB HIS 28 1.991 -8.063 -1.020 218 HD2 HIS 28 2HD HIS 28 1.582 -11.297 -1.921 219 HE1 HIS 28 1HE HIS 28 4.834 -11.966 0.672 220 HE2 HIS 28 2HE HIS 28 2.905 -13.063 -0.542 221 H THR 29 H THR 29 1.433 -6.531 -1.832 222 HA THR 29 HA THR 29 0.281 -5.182 -4.116 223 HB THR 29 HB THR 29 -1.361 -7.040 -2.463 224 HG1 THR 29 1HG THR 29 -1.298 -7.728 -4.454 225 1HG2 THR 29 1HG2 THR 29 -3.427 -5.697 -3.212 226 2HG2 THR 29 2HG2 THR 29 -2.322 -4.343 -3.440 227 3HG2 THR 29 3HG2 THR 29 -2.522 -5.056 -1.840 228 H LEU 30 H LEU 30 -0.500 -3.095 -3.605 229 HA LEU 30 HA LEU 30 -0.854 -2.243 -0.803 230 1HB LEU 30 1HB LEU 30 1.679 -2.329 -1.670 231 2HB LEU 30 2HB LEU 30 1.251 -0.758 -2.322 232 HG LEU 30 HG LEU 30 0.513 -0.063 -0.058 233 1HD1 LEU 30 1HD1 LEU 30 1.891 -2.354 1.183 234 2HD1 LEU 30 2HD1 LEU 30 0.300 -2.693 0.511 235 3HD1 LEU 30 3HD1 LEU 30 0.493 -1.459 1.756 236 1HD2 LEU 30 1HD2 LEU 30 2.647 0.401 0.746 237 2HD2 LEU 30 2HD2 LEU 30 2.989 0.019 -0.940 238 3HD2 LEU 30 3HD2 LEU 30 3.254 -1.190 0.312 239 H CYS 31 H CYS 31 -2.900 -1.399 -1.400 240 HA CYS 31 HA CYS 31 -3.552 -0.012 -3.760 241 1HB CYS 31 1HB CYS 31 -5.547 0.262 -2.723 242 2HB CYS 31 2HB CYS 31 -4.868 -0.808 -1.535 243 H GLU 32 H GLU 32 -4.453 2.385 -3.346 244 HA GLU 32 HA GLU 32 -2.129 4.100 -3.395 245 1HB GLU 32 1HB GLU 32 -4.150 5.861 -2.874 246 2HB GLU 32 2HB GLU 32 -3.838 5.200 -4.470 247 1HG GLU 32 1HG GLU 32 -5.681 3.758 -2.624 248 2HG GLU 32 2HG GLU 32 -6.248 5.117 -3.601 249 H SER 33 H SER 33 -4.789 3.843 -1.083 250 HA SER 33 HA SER 33 -3.628 5.324 1.039 251 1HB SER 33 1HB SER 33 -5.729 3.105 0.918 252 2HB SER 33 2HB SER 33 -5.450 4.163 2.316 253 HG SER 33 HG SER 33 -5.697 5.934 0.691 254 H CYS 34 H CYS 34 -2.760 2.154 -0.123 255 HA CYS 34 HA CYS 34 -1.810 1.268 2.543 256 1HB CYS 34 1HB CYS 34 -1.851 0.090 -0.251 257 2HB CYS 34 2HB CYS 34 -0.880 -0.615 1.018 258 H VAL 35 H VAL 35 -0.453 1.987 -0.684 259 HA VAL 35 HA VAL 35 2.280 1.914 -0.108 260 HB VAL 35 HB VAL 35 0.472 2.986 -2.102 261 1HG1 VAL 35 1HG1 VAL 35 2.726 4.760 -1.228 262 2HG1 VAL 35 2HG1 VAL 35 1.144 5.198 -1.869 263 3HG1 VAL 35 3HG1 VAL 35 2.398 4.599 -2.951 264 1HG2 VAL 35 1HG2 VAL 35 1.766 1.441 -3.103 265 2HG2 VAL 35 2HG2 VAL 35 3.017 1.585 -1.871 266 3HG2 VAL 35 3HG2 VAL 35 2.987 2.707 -3.225 267 H ASP 36 H ASP 36 0.432 4.991 -0.160 268 HA ASP 36 HA ASP 36 2.213 6.680 1.089 269 1HB ASP 36 1HB ASP 36 -0.014 7.572 2.231 270 2HB ASP 36 2HB ASP 36 0.180 7.650 0.483 271 H LEU 37 H LEU 37 -0.314 5.086 3.090 272 HA LEU 37 HA LEU 37 0.760 5.508 5.611 273 1HB LEU 37 1HB LEU 37 -0.597 3.073 4.418 274 2HB LEU 37 2HB LEU 37 -0.363 3.296 6.152 275 HG LEU 37 HG LEU 37 -1.814 5.256 4.349 276 1HD1 LEU 37 1HD1 LEU 37 -3.645 3.969 4.573 277 2HD1 LEU 37 2HD1 LEU 37 -3.485 4.032 6.328 278 3HD1 LEU 37 3HD1 LEU 37 -2.680 2.757 5.415 279 1HD2 LEU 37 1HD2 LEU 37 -1.181 6.551 6.154 280 2HD2 LEU 37 2HD2 LEU 37 -1.058 5.164 7.237 281 3HD2 LEU 37 3HD2 LEU 37 -2.640 5.831 6.833 282 H LEU 38 H LEU 38 1.583 2.814 3.417 283 HA LEU 38 HA LEU 38 3.395 1.386 4.992 284 1HB LEU 38 1HB LEU 38 2.558 1.466 2.365 285 2HB LEU 38 2HB LEU 38 4.266 1.869 2.220 286 HG LEU 38 HG LEU 38 4.014 -0.544 2.078 287 1HD1 LEU 38 1HD1 LEU 38 5.923 -0.705 3.260 288 2HD1 LEU 38 2HD1 LEU 38 5.000 -0.713 4.762 289 3HD1 LEU 38 3HD1 LEU 38 5.546 0.815 4.070 290 1HD2 LEU 38 1HD2 LEU 38 3.052 -0.905 4.841 291 2HD2 LEU 38 2HD2 LEU 38 2.570 -1.742 3.364 292 3HD2 LEU 38 3HD2 LEU 38 1.863 -0.176 3.762 293 H PHE 39 H PHE 39 4.252 4.114 2.816 294 HA PHE 39 HA PHE 39 6.972 4.224 3.942 295 1HB PHE 39 1HB PHE 39 5.778 6.133 1.939 296 2HB PHE 39 2HB PHE 39 7.435 5.533 2.045 297 HD1 PHE 39 1HD PHE 39 4.306 5.128 0.431 298 HD2 PHE 39 2HD PHE 39 7.695 2.922 1.842 299 HE1 PHE 39 1HE PHE 39 3.675 3.219 -1.006 300 HE2 PHE 39 2HE PHE 39 7.065 1.015 0.416 301 HZ PHE 39 HZ PHE 39 5.031 1.154 -1.009 302 H VAL 40 H VAL 40 3.996 6.160 4.232 303 HA VAL 40 HA VAL 40 5.161 8.571 5.173 304 HB VAL 40 HB VAL 40 2.991 8.996 6.155 305 1HG1 VAL 40 1HG1 VAL 40 2.374 9.181 3.993 306 2HG1 VAL 40 2HG1 VAL 40 1.647 7.585 4.175 307 3HG1 VAL 40 3HG1 VAL 40 3.283 7.742 3.533 308 1HG2 VAL 40 1HG2 VAL 40 2.836 6.854 7.404 309 2HG2 VAL 40 2HG2 VAL 40 2.506 6.024 5.887 310 3HG2 VAL 40 3HG2 VAL 40 1.359 7.205 6.507 311 H ARG 41 H ARG 41 5.140 5.450 6.656 312 HA ARG 41 HA ARG 41 5.743 6.625 9.337 313 1HB ARG 41 1HB ARG 41 5.784 3.714 9.162 314 2HB ARG 41 2HB ARG 41 4.767 4.751 10.155 315 1HG ARG 41 1HG ARG 41 3.482 5.176 7.899 316 2HG ARG 41 2HG ARG 41 4.249 3.665 7.410 317 1HD ARG 41 1HD ARG 41 2.528 4.050 9.889 318 2HD ARG 41 2HD ARG 41 2.047 3.192 8.410 319 HE ARG 41 HE ARG 41 3.652 2.071 10.491 320 1HH1 ARG 41 1HH1 ARG 41 2.391 0.829 7.907 321 2HH1 ARG 41 2HH1 ARG 41 3.806 0.112 7.211 322 1HH2 ARG 41 1HH2 ARG 41 6.013 1.852 9.240 323 2HH2 ARG 41 2HH2 ARG 41 5.856 0.691 7.966 324 H GLY 42 H GLY 42 7.218 4.860 6.666 325 1HA GLY 42 1HA GLY 42 9.867 5.543 7.444 326 2HA GLY 42 2HA GLY 42 9.537 3.915 8.029 327 H ALA 43 H ALA 43 7.756 3.312 5.681 328 HA ALA 43 HA ALA 43 8.010 2.446 3.481 329 1HB ALA 43 1HB ALA 43 10.380 4.322 3.321 330 2HB ALA 43 2HB ALA 43 8.720 4.912 3.255 331 3HB ALA 43 3HB ALA 43 9.314 3.809 2.014 332 H GLY 44 H GLY 44 8.988 0.568 2.821 333 1HA GLY 44 1HA GLY 44 11.089 -0.668 2.352 334 2HA GLY 44 2HA GLY 44 11.739 0.002 3.848 335 H ASN 45 H ASN 45 8.454 -1.242 3.506 336 HA ASN 45 HA ASN 45 9.154 -3.800 4.808 337 1HB ASN 45 1HB ASN 45 7.447 -1.674 6.145 338 2HB ASN 45 2HB ASN 45 7.796 -3.277 6.797 339 1HD2 ASN 45 1HD2 ASN 45 9.875 -3.620 7.766 340 2HD2 ASN 45 2HD2 ASN 45 11.013 -2.377 7.969 341 H CYS 46 H CYS 46 8.096 -4.782 2.998 342 HA CYS 46 HA CYS 46 5.769 -4.267 1.666 343 1HB CYS 46 1HB CYS 46 7.196 -6.274 1.411 344 2HB CYS 46 2HB CYS 46 6.556 -6.915 2.924 345 HA PRO 47 HA PRO 47 2.464 -3.853 4.541 346 1HB PRO 47 1HB PRO 47 0.418 -4.673 2.885 347 2HB PRO 47 2HB PRO 47 1.228 -3.115 2.754 348 1HG PRO 47 1HG PRO 47 1.861 -5.677 1.305 349 2HG PRO 47 2HG PRO 47 1.503 -4.093 0.600 350 1HD PRO 47 1HD PRO 47 4.010 -4.819 0.890 351 2HD PRO 47 2HD PRO 47 3.540 -3.185 1.399 352 H GLU 48 H GLU 48 3.482 -6.861 3.219 353 HA GLU 48 HA GLU 48 1.939 -8.273 5.356 354 1HB GLU 48 1HB GLU 48 1.067 -9.817 3.840 355 2HB GLU 48 2HB GLU 48 1.042 -8.333 2.892 356 1HG GLU 48 1HG GLU 48 3.149 -8.953 1.810 357 2HG GLU 48 2HG GLU 48 3.258 -10.403 2.812 358 H CYS 49 H CYS 49 4.605 -8.723 2.959 359 HA CYS 49 HA CYS 49 5.897 -10.529 4.958 360 1HB CYS 49 1HB CYS 49 6.758 -11.703 3.148 361 2HB CYS 49 2HB CYS 49 5.259 -11.098 2.459 362 H GLY 50 H GLY 50 5.955 -7.664 5.202 363 1HA GLY 50 1HA GLY 50 7.533 -5.799 4.870 364 2HA GLY 50 2HA GLY 50 8.049 -6.702 6.285 365 H THR 51 H THR 51 8.550 -6.603 2.741 366 HA THR 51 HA THR 51 11.116 -8.003 2.948 367 HB THR 51 HB THR 51 9.601 -6.534 0.769 368 HG1 THR 51 1HG THR 51 10.020 -9.201 1.540 369 1HG2 THR 51 1HG2 THR 51 12.034 -8.252 0.304 370 2HG2 THR 51 2HG2 THR 51 12.184 -6.516 0.573 371 3HG2 THR 51 3HG2 THR 51 11.260 -7.118 -0.802 372 HA PRO 52 HA PRO 52 13.535 -4.418 3.792 373 1HB PRO 52 1HB PRO 52 15.918 -5.211 2.685 374 2HB PRO 52 2HB PRO 52 15.303 -5.837 4.228 375 1HG PRO 52 1HG PRO 52 15.209 -7.049 1.500 376 2HG PRO 52 2HG PRO 52 15.539 -7.816 3.061 377 1HD PRO 52 1HD PRO 52 13.130 -7.962 1.795 378 2HD PRO 52 2HD PRO 52 13.303 -8.022 3.564 379 H LEU 53 H LEU 53 12.189 -3.178 2.182 380 HA LEU 53 HA LEU 53 13.622 -2.741 -0.416 381 1HB LEU 53 1HB LEU 53 10.738 -2.333 0.449 382 2HB LEU 53 2HB LEU 53 11.364 -1.950 -1.159 383 HG LEU 53 HG LEU 53 11.353 -4.683 0.161 384 1HD1 LEU 53 1HD1 LEU 53 9.188 -4.474 -0.609 385 2HD1 LEU 53 2HD1 LEU 53 9.963 -5.012 -2.099 386 3HD1 LEU 53 3HD1 LEU 53 9.630 -3.299 -1.846 387 1HD2 LEU 53 1HD2 LEU 53 12.203 -5.449 -2.060 388 2HD2 LEU 53 2HD2 LEU 53 13.345 -4.396 -1.226 389 3HD2 LEU 53 3HD2 LEU 53 12.365 -3.762 -2.548 390 H ARG 54 H ARG 54 15.048 -1.286 1.025 391 HA ARG 54 HA ARG 54 14.006 1.106 2.231 392 1HB ARG 54 1HB ARG 54 16.400 1.753 2.195 393 2HB ARG 54 2HB ARG 54 16.202 0.077 2.709 394 1HG ARG 54 1HG ARG 54 16.394 -0.212 -0.008 395 2HG ARG 54 2HG ARG 54 17.457 1.170 0.267 396 1HD ARG 54 1HD ARG 54 18.992 -0.505 0.700 397 2HD ARG 54 2HD ARG 54 18.242 -0.460 2.309 398 HE ARG 54 HE ARG 54 16.852 -2.157 0.345 399 1HH1 ARG 54 1HH2 ARG 54 18.062 -1.939 3.446 400 2HH1 ARG 54 2HH2 ARG 54 18.542 -3.598 3.576 401 1HH2 ARG 54 1HH1 ARG 54 17.974 -4.301 0.229 402 2HH2 ARG 54 2HH1 ARG 54 18.492 -4.935 1.755 403 H LYS 55 H LYS 55 12.579 1.220 -0.013 404 HA LYS 55 HA LYS 55 13.193 3.703 -1.241 405 1HB LYS 55 1HB LYS 55 13.897 2.726 -3.510 406 2HB LYS 55 2HB LYS 55 15.106 2.657 -2.231 407 1HG LYS 55 1HG LYS 55 15.180 0.482 -3.094 408 2HG LYS 55 2HG LYS 55 14.067 0.295 -1.742 409 1HD LYS 55 1HD LYS 55 13.249 -0.771 -3.859 410 2HD LYS 55 2HD LYS 55 12.155 0.461 -3.234 411 1HE LYS 55 1HE LYS 55 12.435 1.762 -5.084 412 2HE LYS 55 2HE LYS 55 14.197 1.552 -5.052 413 1HZ LYS 55 1HZ LYS 55 12.168 -0.394 -6.039 414 2HZ LYS 55 2HZ LYS 55 13.822 -0.743 -5.871 415 3HZ LYS 55 3HZ LYS 55 13.309 0.438 -6.979 416 H SER 56 H SER 56 10.926 2.125 -0.281 417 HA SER 56 HA SER 56 8.687 1.698 -0.872 418 1HB SER 56 1HB SER 56 9.600 3.456 -3.181 419 2HB SER 56 2HB SER 56 7.918 3.099 -2.802 420 HG SER 56 HG SER 56 8.456 3.919 -0.631 421 H ASN 57 H ASN 57 9.115 1.952 -4.284 422 HA ASN 57 HA ASN 57 9.538 0.366 -5.997 423 1HB ASN 57 1HB ASN 57 10.749 -1.472 -5.465 424 2HB ASN 57 2HB ASN 57 10.866 -0.713 -3.885 425 1HD2 ASN 57 1HD2 ASN 57 10.766 -3.660 -4.745 426 2HD2 ASN 57 2HD2 ASN 57 9.527 -4.327 -3.798 427 H PHE 58 H PHE 58 7.016 1.211 -5.324 428 HA PHE 58 HA PHE 58 5.343 -1.268 -5.484 429 1HB PHE 58 1HB PHE 58 4.744 1.544 -4.506 430 2HB PHE 58 2HB PHE 58 3.561 0.262 -4.555 431 HD1 PHE 58 1HD PHE 58 6.959 1.062 -3.217 432 HD2 PHE 58 2HD PHE 58 3.409 -1.328 -2.861 433 HE1 PHE 58 1HE PHE 58 7.817 0.083 -1.102 434 HE2 PHE 58 2HE PHE 58 4.269 -2.295 -0.752 435 HZ PHE 58 HZ PHE 58 6.474 -1.590 0.127 436 H ARG 59 H ARG 59 4.730 -1.700 -7.514 437 HA ARG 59 HA ARG 59 4.379 0.521 -9.482 438 1HB ARG 59 1HB ARG 59 4.022 -1.948 -10.784 439 2HB ARG 59 2HB ARG 59 5.473 -0.959 -10.811 440 1HG ARG 59 1HG ARG 59 4.939 -3.023 -8.655 441 2HG ARG 59 2HG ARG 59 5.830 -3.374 -10.131 442 1HD ARG 59 1HD ARG 59 6.672 -0.979 -8.533 443 2HD ARG 59 2HD ARG 59 7.126 -2.590 -7.945 444 HE ARG 59 HE ARG 59 8.327 -1.292 -10.178 445 1HH1 ARG 59 1HH2 ARG 59 7.708 -4.303 -8.769 446 2HH1 ARG 59 2HH2 ARG 59 8.235 -5.234 -10.131 447 1HH2 ARG 59 1HH1 ARG 59 8.639 -2.475 -12.194 448 2HH2 ARG 59 2HH1 ARG 59 8.761 -4.198 -12.071 449 H VAL 60 H VAL 60 2.347 1.298 -9.021 450 HA VAL 60 HA VAL 60 0.092 -0.489 -8.480 451 HB VAL 60 HB VAL 60 0.712 1.766 -7.436 452 1HG1 VAL 60 1HG1 VAL 60 -0.889 3.190 -9.428 453 2HG1 VAL 60 2HG1 VAL 60 0.624 2.579 -10.095 454 3HG1 VAL 60 3HG1 VAL 60 0.646 3.645 -8.690 455 1HG2 VAL 60 1HG2 VAL 60 -1.391 0.938 -6.804 456 2HG2 VAL 60 2HG2 VAL 60 -2.009 0.975 -8.455 457 3HG2 VAL 60 3HG2 VAL 60 -1.818 2.477 -7.552 458 H GLN 61 H GLN 61 -1.772 -0.668 -9.689 459 HA GLN 61 HA GLN 61 -2.315 0.644 -12.188 460 1HB GLN 61 1HB GLN 61 -1.648 -1.107 -13.713 461 2HB GLN 61 2HB GLN 61 -0.257 -0.790 -12.676 462 1HG GLN 61 1HG GLN 61 -0.986 -2.686 -11.212 463 2HG GLN 61 2HG GLN 61 -2.273 -3.037 -12.365 464 1HE2 GLN 61 1HE2 GLN 61 -0.468 -5.078 -11.990 465 2HE2 GLN 61 2HE2 GLN 61 0.594 -5.202 -13.309 466 H LEU 62 H LEU 62 -4.254 -0.459 -13.247 467 HA LEU 62 HA LEU 62 -5.595 -2.705 -12.094 468 1HB LEU 62 1HB LEU 62 -5.458 -0.581 -10.359 469 2HB LEU 62 2HB LEU 62 -7.019 -0.303 -11.124 470 HG LEU 62 HG LEU 62 -7.082 -3.017 -10.642 471 1HD1 LEU 62 1HD1 LEU 62 -5.743 -1.664 -8.275 472 2HD1 LEU 62 2HD1 LEU 62 -4.972 -2.842 -9.336 473 3HD1 LEU 62 3HD1 LEU 62 -6.332 -3.325 -8.322 474 1HD2 LEU 62 1HD2 LEU 62 -8.871 -2.465 -9.289 475 2HD2 LEU 62 2HD2 LEU 62 -8.632 -0.902 -10.070 476 3HD2 LEU 62 3HD2 LEU 62 -7.981 -1.191 -8.456 477 H PHE 63 H PHE 63 -5.214 -1.426 -14.694 478 HA PHE 63 HA PHE 63 -7.955 -1.569 -15.680 479 1HB PHE 63 1HB PHE 63 -7.841 0.689 -14.637 480 2HB PHE 63 2HB PHE 63 -6.483 1.087 -15.691 481 HD1 PHE 63 1HD PHE 63 -6.917 2.117 -17.740 482 HD2 PHE 63 2HD PHE 63 -9.993 -0.231 -15.875 483 HE1 PHE 63 1HE PHE 63 -8.502 2.770 -19.532 484 HE2 PHE 63 2HE PHE 63 -11.578 0.421 -17.668 485 HZ PHE 63 HZ PHE 63 -10.832 1.921 -19.496 486 H GLU 64 H GLU 64 -5.755 -3.064 -16.436 487 HA GLU 64 HA GLU 64 -4.054 -2.160 -18.469 488 1HB GLU 64 1HB GLU 64 -5.024 -4.608 -17.375 489 2HB GLU 64 2HB GLU 64 -5.109 -4.749 -19.132 490 1HG GLU 64 1HG GLU 64 -2.736 -3.957 -19.256 491 2HG GLU 64 2HG GLU 64 -2.675 -3.975 -17.493 492 H ASP 65 H ASP 65 -4.965 -0.707 -19.971 493 HA ASP 65 HA ASP 65 -7.439 -1.490 -21.415 494 1HB ASP 65 1HB ASP 65 -7.265 0.782 -20.600 495 2HB ASP 65 2HB ASP 65 -5.677 0.977 -21.344 Start of MODEL 11 1 1H MET 1 1HT MET 1 -9.346 -7.971 -8.716 2 2H MET 1 2HT MET 1 -8.249 -7.108 -7.747 3 3H MET 1 3HT MET 1 -8.085 -7.096 -9.438 4 HA MET 1 HA MET 1 -9.165 -5.129 -9.299 5 1HB MET 1 1HB MET 1 -11.434 -7.087 -8.817 6 2HB MET 1 2HB MET 1 -11.543 -5.537 -9.650 7 1HG MET 1 1HG MET 1 -9.809 -7.855 -10.559 8 2HG MET 1 2HG MET 1 -11.404 -7.488 -11.216 9 1HE MET 1 1HE MET 1 -11.658 -6.752 -13.063 10 2HE MET 1 2HE MET 1 -10.713 -5.664 -14.076 11 3HE MET 1 3HE MET 1 -11.796 -5.002 -12.855 12 H ASP 2 H ASP 2 -11.743 -4.714 -7.900 13 HA ASP 2 HA ASP 2 -10.901 -3.464 -5.527 14 1HB ASP 2 1HB ASP 2 -13.560 -4.718 -6.287 15 2HB ASP 2 2HB ASP 2 -13.345 -3.563 -4.970 16 H ASP 3 H ASP 3 -13.302 -5.869 -4.808 17 HA ASP 3 HA ASP 3 -13.332 -7.418 -3.005 18 1HB ASP 3 1HB ASP 3 -10.783 -8.178 -4.466 19 2HB ASP 3 2HB ASP 3 -11.802 -9.255 -3.511 20 H GLN 4 H GLN 4 -10.881 -8.675 -1.925 21 HA GLN 4 HA GLN 4 -10.375 -7.077 0.334 22 1HB GLN 4 1HB GLN 4 -9.837 -9.520 -0.105 23 2HB GLN 4 2HB GLN 4 -8.430 -8.973 -1.017 24 1HG GLN 4 1HG GLN 4 -7.995 -9.557 1.425 25 2HG GLN 4 2HG GLN 4 -7.464 -7.951 0.926 26 1HE2 GLN 4 1HE2 GLN 4 -7.836 -6.670 2.769 27 2HE2 GLN 4 2HE2 GLN 4 -9.319 -6.583 3.591 28 H GLY 5 H GLY 5 -8.356 -7.383 -2.610 29 1HA GLY 5 1HA GLY 5 -6.496 -6.071 -3.279 30 2HA GLY 5 2HA GLY 5 -7.707 -4.798 -3.165 31 H CYS 6 H CYS 6 -7.085 -3.122 -1.895 32 HA CYS 6 HA CYS 6 -4.807 -2.684 -0.507 33 1HB CYS 6 1HB CYS 6 -6.428 -0.959 -0.659 34 2HB CYS 6 2HB CYS 6 -7.670 -1.937 0.090 35 HA PRO 7 HA PRO 7 -5.097 -5.741 2.775 36 1HB PRO 7 1HB PRO 7 -2.398 -5.900 3.182 37 2HB PRO 7 2HB PRO 7 -3.231 -6.749 1.868 38 1HG PRO 7 1HG PRO 7 -1.474 -4.398 1.780 39 2HG PRO 7 2HG PRO 7 -1.892 -5.541 0.499 40 1HD PRO 7 1HD PRO 7 -2.950 -2.917 0.946 41 2HD PRO 7 2HD PRO 7 -3.380 -4.067 -0.336 42 H ARG 8 H ARG 8 -3.708 -2.531 2.792 43 HA ARG 8 HA ARG 8 -3.319 -2.591 5.750 44 1HB ARG 8 1HB ARG 8 -1.790 -1.617 3.765 45 2HB ARG 8 2HB ARG 8 -2.761 -0.178 4.080 46 1HG ARG 8 1HG ARG 8 -1.715 0.215 6.046 47 2HG ARG 8 2HG ARG 8 -1.812 -1.481 6.529 48 1HD ARG 8 1HD ARG 8 0.173 -2.031 5.276 49 2HD ARG 8 2HD ARG 8 0.167 -0.453 4.462 50 HE ARG 8 HE ARG 8 0.669 0.570 6.673 51 1HH1 ARG 8 1HH1 ARG 8 2.176 -2.252 5.873 52 2HH1 ARG 8 2HH1 ARG 8 2.605 -2.720 7.484 53 1HH2 ARG 8 1HH2 ARG 8 0.654 -0.282 8.994 54 2HH2 ARG 8 2HH2 ARG 8 1.745 -1.603 9.251 55 H CYS 9 H CYS 9 -4.673 -0.158 3.473 56 HA CYS 9 HA CYS 9 -6.581 0.652 5.618 57 1HB CYS 9 1HB CYS 9 -7.029 2.262 3.362 58 2HB CYS 9 2HB CYS 9 -6.118 2.698 4.793 59 H LYS 10 H LYS 10 -7.137 -1.869 4.479 60 HA LYS 10 HA LYS 10 -8.628 -2.482 2.396 61 1HB LYS 10 1HB LYS 10 -9.927 -3.917 3.767 62 2HB LYS 10 2HB LYS 10 -8.450 -3.637 4.686 63 1HG LYS 10 1HG LYS 10 -9.835 -1.625 5.695 64 2HG LYS 10 2HG LYS 10 -11.216 -2.587 5.166 65 1HD LYS 10 1HD LYS 10 -9.098 -4.095 6.586 66 2HD LYS 10 2HD LYS 10 -9.966 -2.917 7.572 67 1HE LYS 10 1HE LYS 10 -11.711 -4.360 7.710 68 2HE LYS 10 2HE LYS 10 -11.879 -4.312 5.943 69 1HZ LYS 10 1HZ LYS 10 -9.819 -5.838 6.003 70 2HZ LYS 10 2HZ LYS 10 -11.331 -6.520 6.366 71 3HZ LYS 10 3HZ LYS 10 -10.251 -6.128 7.617 72 H THR 11 H THR 11 -9.349 -0.495 1.339 73 HA THR 11 HA THR 11 -12.164 0.055 1.711 74 HB THR 11 HB THR 11 -10.677 1.095 3.683 75 HG1 THR 11 1HG THR 11 -12.785 1.485 3.757 76 1HG2 THR 11 1HG2 THR 11 -9.156 2.353 2.253 77 2HG2 THR 11 2HG2 THR 11 -10.152 3.487 3.167 78 3HG2 THR 11 3HG2 THR 11 -10.511 3.170 1.466 79 H THR 12 H THR 12 -9.054 1.341 0.706 80 HA THR 12 HA THR 12 -9.641 3.280 -1.112 81 HB THR 12 HB THR 12 -7.603 1.460 -2.119 82 HG1 THR 12 1HG THR 12 -7.286 2.234 0.552 83 1HG2 THR 12 1HG2 THR 12 -6.306 3.482 -1.056 84 2HG2 THR 12 2HG2 THR 12 -7.910 4.202 -1.024 85 3HG2 THR 12 3HG2 THR 12 -7.201 3.673 -2.548 86 H LYS 13 H LYS 13 -8.625 0.455 -2.947 87 HA LYS 13 HA LYS 13 -10.204 0.978 -5.161 88 1HB LYS 13 1HB LYS 13 -9.472 -1.137 -5.873 89 2HB LYS 13 2HB LYS 13 -8.287 -0.688 -4.661 90 1HG LYS 13 1HG LYS 13 -10.738 -2.353 -4.040 91 2HG LYS 13 2HG LYS 13 -9.165 -3.048 -4.434 92 1HD LYS 13 1HD LYS 13 -8.163 -1.791 -2.552 93 2HD LYS 13 2HD LYS 13 -9.754 -1.151 -2.138 94 1HE LYS 13 1HE LYS 13 -10.456 -3.693 -2.093 95 2HE LYS 13 2HE LYS 13 -8.720 -3.963 -1.865 96 1HZ LYS 13 1HZ LYS 13 -8.945 -3.296 0.236 97 2HZ LYS 13 2HZ LYS 13 -10.606 -3.025 0.003 98 3HZ LYS 13 3HZ LYS 13 -9.491 -1.777 -0.288 99 H TYR 14 H TYR 14 -11.284 -0.322 -2.120 100 HA TYR 14 HA TYR 14 -13.705 -1.567 -3.161 101 1HB TYR 14 1HB TYR 14 -12.219 -1.655 -0.846 102 2HB TYR 14 2HB TYR 14 -13.587 -0.676 -0.344 103 HD1 TYR 14 1HD TYR 14 -14.996 -2.086 0.907 104 HD2 TYR 14 2HD TYR 14 -13.377 -3.464 -2.825 105 HE1 TYR 14 1HE TYR 14 -16.392 -4.130 1.058 106 HE2 TYR 14 2HE TYR 14 -14.772 -5.509 -2.675 107 HH TYR 14 HH TYR 14 -16.849 -6.238 -1.575 108 H ARG 15 H ARG 15 -12.855 1.460 -1.513 109 HA ARG 15 HA ARG 15 -15.515 2.657 -2.055 110 1HB ARG 15 1HB ARG 15 -13.088 3.163 -0.426 111 2HB ARG 15 2HB ARG 15 -13.891 4.610 -1.024 112 1HG ARG 15 1HG ARG 15 -15.346 4.372 0.692 113 2HG ARG 15 2HG ARG 15 -15.964 2.936 -0.132 114 1HD ARG 15 1HD ARG 15 -13.572 2.918 1.730 115 2HD ARG 15 2HD ARG 15 -15.215 2.471 2.228 116 HE ARG 15 HE ARG 15 -13.567 1.021 0.171 117 1HH1 ARG 15 1HH1 ARG 15 -14.606 0.003 2.928 118 2HH1 ARG 15 2HH1 ARG 15 -15.889 -1.038 2.404 119 1HH2 ARG 15 1HH2 ARG 15 -15.978 0.250 -0.813 120 2HH2 ARG 15 2HH2 ARG 15 -16.664 -0.898 0.287 121 H ASN 16 H ASN 16 -12.148 3.657 -2.512 122 HA ASN 16 HA ASN 16 -12.616 5.538 -4.629 123 1HB ASN 16 1HB ASN 16 -10.403 4.182 -3.192 124 2HB ASN 16 2HB ASN 16 -10.009 4.745 -4.822 125 1HD2 ASN 16 1HD2 ASN 16 -8.575 6.080 -3.115 126 2HD2 ASN 16 2HD2 ASN 16 -9.212 7.608 -2.728 127 HA PRO 17 HA PRO 17 -12.863 2.183 -7.652 128 1HB PRO 17 1HB PRO 17 -14.277 3.606 -9.517 129 2HB PRO 17 2HB PRO 17 -15.038 2.821 -8.121 130 1HG PRO 17 1HG PRO 17 -14.471 5.675 -8.624 131 2HG PRO 17 2HG PRO 17 -15.722 4.932 -7.622 132 1HD PRO 17 1HD PRO 17 -13.291 6.090 -6.750 133 2HD PRO 17 2HD PRO 17 -14.446 5.164 -5.772 134 H SER 18 H SER 18 -11.677 5.455 -7.951 135 HA SER 18 HA SER 18 -10.277 4.832 -10.507 136 1HB SER 18 1HB SER 18 -10.771 7.332 -8.866 137 2HB SER 18 2HB SER 18 -9.760 7.324 -10.308 138 HG SER 18 HG SER 18 -11.956 7.868 -10.746 139 H LEU 19 H LEU 19 -9.174 3.293 -8.568 140 HA LEU 19 HA LEU 19 -6.512 4.534 -8.186 141 1HB LEU 19 1HB LEU 19 -6.691 4.752 -5.926 142 2HB LEU 19 2HB LEU 19 -8.425 4.694 -6.218 143 HG LEU 19 HG LEU 19 -7.971 2.046 -6.085 144 1HD1 LEU 19 1HD1 LEU 19 -5.508 3.248 -5.232 145 2HD1 LEU 19 2HD1 LEU 19 -5.916 1.538 -5.371 146 3HD1 LEU 19 3HD1 LEU 19 -6.257 2.407 -3.875 147 1HD2 LEU 19 1HD2 LEU 19 -8.469 4.120 -3.998 148 2HD2 LEU 19 2HD2 LEU 19 -8.238 2.454 -3.502 149 3HD2 LEU 19 3HD2 LEU 19 -9.546 2.860 -4.603 150 H LYS 20 H LYS 20 -5.082 2.679 -6.985 151 HA LYS 20 HA LYS 20 -5.991 -0.036 -7.733 152 1HB LYS 20 1HB LYS 20 -3.692 1.433 -9.057 153 2HB LYS 20 2HB LYS 20 -3.971 -0.303 -9.222 154 1HG LYS 20 1HG LYS 20 -6.270 0.218 -10.040 155 2HG LYS 20 2HG LYS 20 -5.849 1.926 -10.014 156 1HD LYS 20 1HD LYS 20 -3.903 0.240 -11.425 157 2HD LYS 20 2HD LYS 20 -5.495 0.279 -12.180 158 1HE LYS 20 1HE LYS 20 -4.001 2.786 -11.334 159 2HE LYS 20 2HE LYS 20 -3.930 2.111 -12.975 160 1HZ LYS 20 1HZ LYS 20 -6.247 3.194 -11.495 161 2HZ LYS 20 2HZ LYS 20 -6.490 2.040 -12.719 162 3HZ LYS 20 3HZ LYS 20 -5.750 3.527 -13.081 163 H LEU 21 H LEU 21 -3.872 -1.507 -7.540 164 HA LEU 21 HA LEU 21 -2.614 -0.828 -4.920 165 1HB LEU 21 1HB LEU 21 -3.662 -3.358 -6.192 166 2HB LEU 21 2HB LEU 21 -2.556 -3.421 -4.826 167 HG LEU 21 HG LEU 21 -4.125 -2.115 -3.463 168 1HD1 LEU 21 1HD1 LEU 21 -5.520 -1.833 -6.091 169 2HD1 LEU 21 2HD1 LEU 21 -5.343 -0.657 -4.787 170 3HD1 LEU 21 3HD1 LEU 21 -6.522 -1.959 -4.647 171 1HD2 LEU 21 1HD2 LEU 21 -5.096 -4.586 -4.860 172 2HD2 LEU 21 2HD2 LEU 21 -6.149 -3.775 -3.703 173 3HD2 LEU 21 3HD2 LEU 21 -4.577 -4.384 -3.186 174 H MET 22 H MET 22 -0.358 -0.862 -4.880 175 HA MET 22 HA MET 22 0.979 -1.455 -7.429 176 1HB MET 22 1HB MET 22 2.714 -0.695 -5.252 177 2HB MET 22 2HB MET 22 2.431 0.137 -6.762 178 1HG MET 22 1HG MET 22 0.194 0.898 -5.647 179 2HG MET 22 2HG MET 22 1.016 0.489 -4.141 180 1HE MET 22 1HE MET 22 1.174 4.357 -4.276 181 2HE MET 22 2HE MET 22 0.388 2.923 -3.621 182 3HE MET 22 3HE MET 22 -0.043 3.497 -5.230 183 H VAL 23 H VAL 23 2.062 -3.235 -7.829 184 HA VAL 23 HA VAL 23 2.331 -5.313 -5.740 185 HB VAL 23 HB VAL 23 2.758 -5.064 -8.711 186 1HG1 VAL 23 1HG1 VAL 23 4.508 -6.561 -7.897 187 2HG1 VAL 23 2HG1 VAL 23 3.257 -7.518 -8.690 188 3HG1 VAL 23 3HG1 VAL 23 3.333 -7.450 -6.929 189 1HG2 VAL 23 1HG2 VAL 23 0.884 -6.563 -8.848 190 2HG2 VAL 23 2HG2 VAL 23 0.459 -5.277 -7.717 191 3HG2 VAL 23 3HG2 VAL 23 0.937 -6.863 -7.110 192 H ASN 24 H ASN 24 4.642 -6.403 -5.663 193 HA ASN 24 HA ASN 24 6.754 -4.482 -6.396 194 1HB ASN 24 1HB ASN 24 5.629 -4.887 -3.690 195 2HB ASN 24 2HB ASN 24 7.380 -4.654 -3.814 196 1HD2 ASN 24 1HD2 ASN 24 7.518 -2.990 -6.050 197 2HD2 ASN 24 2HD2 ASN 24 6.729 -1.542 -5.754 198 H VAL 25 H VAL 25 8.558 -5.515 -6.901 199 HA VAL 25 HA VAL 25 9.786 -7.554 -7.407 200 HB VAL 25 HB VAL 25 11.212 -6.180 -6.214 201 1HG1 VAL 25 1HG1 VAL 25 9.105 -6.305 -4.116 202 2HG1 VAL 25 2HG1 VAL 25 10.013 -4.924 -4.721 203 3HG1 VAL 25 3HG1 VAL 25 10.757 -6.032 -3.568 204 1HG2 VAL 25 1HG2 VAL 25 10.972 -8.399 -4.187 205 2HG2 VAL 25 2HG2 VAL 25 12.409 -7.482 -4.636 206 3HG2 VAL 25 3HG2 VAL 25 11.708 -8.634 -5.773 207 H CYS 26 H CYS 26 9.111 -8.118 -3.927 208 HA CYS 26 HA CYS 26 9.037 -10.953 -4.150 209 1HB CYS 26 1HB CYS 26 7.960 -10.755 -1.901 210 2HB CYS 26 2HB CYS 26 9.363 -9.701 -2.072 211 H GLY 27 H GLY 27 6.710 -8.664 -5.196 212 1HA GLY 27 1HA GLY 27 4.808 -9.445 -6.546 213 2HA GLY 27 2HA GLY 27 4.682 -10.838 -5.465 214 H HIS 28 H HIS 28 2.931 -10.629 -4.141 215 HA HIS 28 HA HIS 28 1.237 -9.585 -2.855 216 1HB HIS 28 1HB HIS 28 3.774 -8.074 -2.198 217 2HB HIS 28 2HB HIS 28 2.322 -8.022 -1.203 218 HD2 HIS 28 2HD HIS 28 1.539 -11.218 -1.445 219 HE1 HIS 28 1HE HIS 28 5.386 -12.032 0.056 220 HE2 HIS 28 2HE HIS 28 3.089 -13.003 -0.365 221 H THR 29 H THR 29 0.808 -6.920 -2.127 222 HA THR 29 HA THR 29 1.021 -5.222 -4.524 223 HB THR 29 HB THR 29 -0.961 -7.134 -4.310 224 HG1 THR 29 1HG THR 29 -0.675 -4.750 -5.775 225 1HG2 THR 29 1HG2 THR 29 -2.060 -4.447 -3.409 226 2HG2 THR 29 2HG2 THR 29 -2.292 -6.026 -2.662 227 3HG2 THR 29 3HG2 THR 29 -3.073 -5.656 -4.196 228 H LEU 30 H LEU 30 -0.301 -3.124 -4.153 229 HA LEU 30 HA LEU 30 -0.876 -2.558 -1.323 230 1HB LEU 30 1HB LEU 30 1.670 -2.418 -1.977 231 2HB LEU 30 2HB LEU 30 1.220 -0.860 -2.631 232 HG LEU 30 HG LEU 30 0.630 -0.028 -0.533 233 1HD1 LEU 30 1HD1 LEU 30 0.446 -1.585 1.484 234 2HD1 LEU 30 2HD1 LEU 30 0.459 -2.915 0.333 235 3HD1 LEU 30 3HD1 LEU 30 -0.828 -1.732 0.284 236 1HD2 LEU 30 1HD2 LEU 30 3.009 -0.200 -0.588 237 2HD2 LEU 30 2HD2 LEU 30 2.957 -1.927 -0.234 238 3HD2 LEU 30 3HD2 LEU 30 2.522 -0.757 1.013 239 H CYS 31 H CYS 31 -2.879 -1.701 -1.755 240 HA CYS 31 HA CYS 31 -3.814 -0.188 -3.900 241 1HB CYS 31 1HB CYS 31 -5.590 -0.081 -2.513 242 2HB CYS 31 2HB CYS 31 -4.623 -0.992 -1.390 243 H GLU 32 H GLU 32 -4.351 2.270 -3.706 244 HA GLU 32 HA GLU 32 -1.854 3.731 -3.675 245 1HB GLU 32 1HB GLU 32 -3.304 5.629 -4.217 246 2HB GLU 32 2HB GLU 32 -3.847 4.211 -5.112 247 1HG GLU 32 1HG GLU 32 -5.857 5.023 -4.276 248 2HG GLU 32 2HG GLU 32 -5.419 3.849 -3.043 249 H SER 33 H SER 33 -4.642 3.608 -1.465 250 HA SER 33 HA SER 33 -3.701 5.523 0.430 251 1HB SER 33 1HB SER 33 -5.601 3.135 0.639 252 2HB SER 33 2HB SER 33 -5.352 4.315 1.934 253 HG SER 33 HG SER 33 -6.845 5.373 0.924 254 H CYS 34 H CYS 34 -2.508 2.315 -0.220 255 HA CYS 34 HA CYS 34 -1.628 1.873 2.553 256 1HB CYS 34 1HB CYS 34 -1.224 0.536 -0.123 257 2HB CYS 34 2HB CYS 34 -0.223 0.121 1.264 258 H VAL 35 H VAL 35 0.078 2.414 -0.543 259 HA VAL 35 HA VAL 35 2.674 2.729 0.287 260 HB VAL 35 HB VAL 35 0.923 3.876 -1.816 261 1HG1 VAL 35 1HG1 VAL 35 3.347 5.276 -0.819 262 2HG1 VAL 35 2HG1 VAL 35 1.956 5.919 -1.693 263 3HG1 VAL 35 3HG1 VAL 35 3.229 5.065 -2.566 264 1HG2 VAL 35 1HG2 VAL 35 3.379 3.108 -2.861 265 2HG2 VAL 35 2HG2 VAL 35 1.931 2.105 -2.761 266 3HG2 VAL 35 3HG2 VAL 35 3.144 2.026 -1.490 267 H ASP 36 H ASP 36 0.017 4.954 0.968 268 HA ASP 36 HA ASP 36 1.766 7.108 1.903 269 1HB ASP 36 1HB ASP 36 -0.722 7.387 3.203 270 2HB ASP 36 2HB ASP 36 -0.209 8.200 1.735 271 H LEU 37 H LEU 37 -0.609 5.391 3.955 272 HA LEU 37 HA LEU 37 0.649 5.790 6.418 273 1HB LEU 37 1HB LEU 37 -1.126 3.720 5.203 274 2HB LEU 37 2HB LEU 37 -0.446 3.383 6.795 275 HG LEU 37 HG LEU 37 -1.257 5.952 7.150 276 1HD1 LEU 37 1HD1 LEU 37 -3.729 5.659 6.125 277 2HD1 LEU 37 2HD1 LEU 37 -2.814 4.791 4.892 278 3HD1 LEU 37 3HD1 LEU 37 -2.436 6.476 5.248 279 1HD2 LEU 37 1HD2 LEU 37 -3.546 4.548 7.784 280 2HD2 LEU 37 2HD2 LEU 37 -2.111 4.652 8.805 281 3HD2 LEU 37 3HD2 LEU 37 -2.329 3.273 7.727 282 H LEU 38 H LEU 38 1.307 3.272 4.029 283 HA LEU 38 HA LEU 38 3.066 1.641 5.517 284 1HB LEU 38 1HB LEU 38 1.974 1.558 3.107 285 2HB LEU 38 2HB LEU 38 3.518 2.250 2.617 286 HG LEU 38 HG LEU 38 3.790 -0.114 2.447 287 1HD1 LEU 38 1HD1 LEU 38 4.893 0.782 5.128 288 2HD1 LEU 38 2HD1 LEU 38 5.667 1.026 3.563 289 3HD1 LEU 38 3HD1 LEU 38 5.466 -0.606 4.201 290 1HD2 LEU 38 1HD2 LEU 38 1.928 -0.982 3.629 291 2HD2 LEU 38 2HD2 LEU 38 2.373 -0.143 5.114 292 3HD2 LEU 38 3HD2 LEU 38 3.321 -1.526 4.565 293 H PHE 39 H PHE 39 3.933 4.389 3.357 294 HA PHE 39 HA PHE 39 6.733 4.196 4.230 295 1HB PHE 39 1HB PHE 39 5.463 6.244 2.413 296 2HB PHE 39 2HB PHE 39 7.139 5.694 2.420 297 HD1 PHE 39 1HD PHE 39 6.199 2.717 2.997 298 HD2 PHE 39 2HD PHE 39 5.230 5.640 0.003 299 HE1 PHE 39 1HE PHE 39 5.579 0.904 1.432 300 HE2 PHE 39 2HE PHE 39 4.603 3.816 -1.560 301 HZ PHE 39 HZ PHE 39 4.758 1.456 -0.825 302 H VAL 40 H VAL 40 4.004 6.401 4.826 303 HA VAL 40 HA VAL 40 5.466 8.608 5.827 304 HB VAL 40 HB VAL 40 3.361 8.880 7.289 305 1HG1 VAL 40 1HG1 VAL 40 3.136 8.447 4.297 306 2HG1 VAL 40 2HG1 VAL 40 3.585 9.948 5.106 307 3HG1 VAL 40 3HG1 VAL 40 1.950 9.308 5.277 308 1HG2 VAL 40 1HG2 VAL 40 2.073 7.064 7.559 309 2HG2 VAL 40 2HG2 VAL 40 3.109 6.135 6.475 310 3HG2 VAL 40 3HG2 VAL 40 1.761 7.068 5.826 311 H ARG 41 H ARG 41 5.059 5.422 7.210 312 HA ARG 41 HA ARG 41 5.938 6.328 9.895 313 1HB ARG 41 1HB ARG 41 5.960 3.439 9.295 314 2HB ARG 41 2HB ARG 41 5.158 4.302 10.601 315 1HG ARG 41 1HG ARG 41 3.564 5.121 8.656 316 2HG ARG 41 2HG ARG 41 4.164 3.667 7.857 317 1HD ARG 41 1HD ARG 41 2.718 3.838 10.522 318 2HD ARG 41 2HD ARG 41 2.201 2.974 9.059 319 HE ARG 41 HE ARG 41 4.240 2.076 10.972 320 1HH1 ARG 41 1HH1 ARG 41 5.303 2.194 8.062 321 2HH1 ARG 41 2HH1 ARG 41 5.021 0.559 7.565 322 1HH2 ARG 41 1HH2 ARG 41 2.888 -0.154 10.205 323 2HH2 ARG 41 2HH2 ARG 41 3.651 -0.769 8.778 324 H GLY 42 H GLY 42 7.316 5.083 6.947 325 1HA GLY 42 1HA GLY 42 9.975 5.655 7.655 326 2HA GLY 42 2HA GLY 42 9.710 3.970 8.095 327 H ALA 43 H ALA 43 7.763 3.672 5.735 328 HA ALA 43 HA ALA 43 7.968 3.012 3.447 329 1HB ALA 43 1HB ALA 43 10.371 4.657 3.014 330 2HB ALA 43 2HB ALA 43 9.044 5.530 3.778 331 3HB ALA 43 3HB ALA 43 8.798 4.740 2.221 332 H GLY 44 H GLY 44 8.823 1.034 2.880 333 1HA GLY 44 1HA GLY 44 11.003 -0.030 2.113 334 2HA GLY 44 2HA GLY 44 11.658 0.484 3.667 335 H ASN 45 H ASN 45 8.426 -0.886 3.108 336 HA ASN 45 HA ASN 45 9.242 -3.503 4.217 337 1HB ASN 45 1HB ASN 45 7.255 -1.708 5.646 338 2HB ASN 45 2HB ASN 45 7.841 -3.278 6.193 339 1HD2 ASN 45 1HD2 ASN 45 9.977 -3.380 7.138 340 2HD2 ASN 45 2HD2 ASN 45 10.873 -1.985 7.503 341 H CYS 46 H CYS 46 8.049 -4.983 3.063 342 HA CYS 46 HA CYS 46 5.925 -4.316 1.291 343 1HB CYS 46 1HB CYS 46 7.387 -6.381 1.315 344 2HB CYS 46 2HB CYS 46 6.427 -6.965 2.675 345 HA PRO 47 HA PRO 47 2.460 -3.810 3.958 346 1HB PRO 47 1HB PRO 47 0.534 -4.574 2.145 347 2HB PRO 47 2HB PRO 47 1.363 -3.017 2.110 348 1HG PRO 47 1HG PRO 47 2.033 -5.526 0.605 349 2HG PRO 47 2HG PRO 47 1.807 -3.890 -0.039 350 1HD PRO 47 1HD PRO 47 4.239 -4.783 0.419 351 2HD PRO 47 2HD PRO 47 3.815 -3.131 0.905 352 H GLU 48 H GLU 48 3.545 -6.792 2.689 353 HA GLU 48 HA GLU 48 1.746 -8.224 4.593 354 1HB GLU 48 1HB GLU 48 2.179 -9.962 2.431 355 2HB GLU 48 2HB GLU 48 0.681 -9.150 2.843 356 1HG GLU 48 1HG GLU 48 1.644 -7.145 1.495 357 2HG GLU 48 2HG GLU 48 2.780 -8.326 0.837 358 H CYS 49 H CYS 49 4.480 -9.081 2.377 359 HA CYS 49 HA CYS 49 5.494 -10.894 4.465 360 1HB CYS 49 1HB CYS 49 6.758 -11.821 2.733 361 2HB CYS 49 2HB CYS 49 5.354 -11.197 1.882 362 H GLY 50 H GLY 50 5.584 -7.845 4.696 363 1HA GLY 50 1HA GLY 50 7.204 -6.136 5.128 364 2HA GLY 50 2HA GLY 50 7.535 -7.294 6.409 365 H THR 51 H THR 51 8.380 -6.864 2.945 366 HA THR 51 HA THR 51 10.998 -8.139 3.389 367 HB THR 51 HB THR 51 9.437 -6.961 1.082 368 HG1 THR 51 1HG THR 51 10.491 -9.494 1.767 369 1HG2 THR 51 1HG2 THR 51 12.149 -8.185 0.665 370 2HG2 THR 51 2HG2 THR 51 12.015 -6.462 1.012 371 3HG2 THR 51 3HG2 THR 51 11.225 -7.139 -0.409 372 HA PRO 52 HA PRO 52 13.067 -4.349 4.238 373 1HB PRO 52 1HB PRO 52 15.552 -4.900 3.216 374 2HB PRO 52 2HB PRO 52 14.951 -5.586 4.740 375 1HG PRO 52 1HG PRO 52 15.076 -6.800 2.014 376 2HG PRO 52 2HG PRO 52 15.422 -7.532 3.589 377 1HD PRO 52 1HD PRO 52 13.087 -7.908 2.230 378 2HD PRO 52 2HD PRO 52 13.201 -7.964 4.003 379 H LEU 53 H LEU 53 11.495 -3.565 2.341 380 HA LEU 53 HA LEU 53 12.414 -3.225 -0.320 381 1HB LEU 53 1HB LEU 53 10.564 -1.761 1.553 382 2HB LEU 53 2HB LEU 53 10.849 -1.131 -0.067 383 HG LEU 53 HG LEU 53 10.189 -3.383 -0.991 384 1HD1 LEU 53 1HD1 LEU 53 10.704 -4.730 0.995 385 2HD1 LEU 53 2HD1 LEU 53 9.011 -4.930 0.548 386 3HD1 LEU 53 3HD1 LEU 53 9.446 -3.893 1.905 387 1HD2 LEU 53 1HD2 LEU 53 7.874 -2.947 -0.850 388 2HD2 LEU 53 2HD2 LEU 53 8.591 -1.373 -0.507 389 3HD2 LEU 53 3HD2 LEU 53 7.990 -2.375 0.814 390 H ARG 54 H ARG 54 14.158 -2.079 -1.056 391 HA ARG 54 HA ARG 54 15.821 -0.481 0.672 392 1HB ARG 54 1HB ARG 54 16.008 -1.795 -1.743 393 2HB ARG 54 2HB ARG 54 16.060 -0.101 -2.236 394 1HG ARG 54 1HG ARG 54 18.205 0.010 -1.562 395 2HG ARG 54 2HG ARG 54 17.698 -0.375 0.083 396 1HD ARG 54 1HD ARG 54 18.925 -2.285 -0.194 397 2HD ARG 54 2HD ARG 54 17.580 -2.838 -1.213 398 HE ARG 54 HE ARG 54 20.038 -1.451 -2.226 399 1HH1 ARG 54 1HH1 ARG 54 17.297 -1.396 -3.725 400 2HH1 ARG 54 2HH1 ARG 54 17.579 -2.636 -4.901 401 1HH2 ARG 54 1HH2 ARG 54 20.373 -3.904 -3.283 402 2HH2 ARG 54 2HH2 ARG 54 19.321 -4.055 -4.650 403 H LYS 55 H LYS 55 12.860 0.321 -0.671 404 HA LYS 55 HA LYS 55 12.938 3.048 0.039 405 1HB LYS 55 1HB LYS 55 14.229 3.929 -1.595 406 2HB LYS 55 2HB LYS 55 14.380 2.358 -2.362 407 1HG LYS 55 1HG LYS 55 12.021 4.216 -2.786 408 2HG LYS 55 2HG LYS 55 13.418 4.151 -3.846 409 1HD LYS 55 1HD LYS 55 11.204 2.183 -3.517 410 2HD LYS 55 2HD LYS 55 12.063 2.672 -4.970 411 1HE LYS 55 1HE LYS 55 13.162 0.852 -2.801 412 2HE LYS 55 2HE LYS 55 12.627 0.348 -4.411 413 1HZ LYS 55 1HZ LYS 55 14.432 2.579 -4.480 414 2HZ LYS 55 2HZ LYS 55 14.497 1.115 -5.334 415 3HZ LYS 55 3HZ LYS 55 15.137 1.214 -3.765 416 H SER 56 H SER 56 11.039 4.244 -1.225 417 HA SER 56 HA SER 56 8.694 2.694 -0.882 418 1HB SER 56 1HB SER 56 8.648 5.075 -0.725 419 2HB SER 56 2HB SER 56 9.327 5.264 -2.339 420 HG SER 56 HG SER 56 7.456 4.749 -3.242 421 H ASN 57 H ASN 57 9.557 0.766 -2.318 422 HA ASN 57 HA ASN 57 9.252 1.134 -5.244 423 1HB ASN 57 1HB ASN 57 9.826 -1.337 -5.195 424 2HB ASN 57 2HB ASN 57 10.992 -0.340 -4.326 425 1HD2 ASN 57 1HD2 ASN 57 8.852 -2.999 -4.033 426 2HD2 ASN 57 2HD2 ASN 57 8.937 -3.176 -2.349 427 H PHE 58 H PHE 58 7.047 1.354 -5.840 428 HA PHE 58 HA PHE 58 5.238 -0.918 -5.242 429 1HB PHE 58 1HB PHE 58 4.643 1.936 -4.321 430 2HB PHE 58 2HB PHE 58 3.520 0.603 -4.200 431 HD1 PHE 58 1HD PHE 58 3.767 -1.149 -2.583 432 HD2 PHE 58 2HD PHE 58 6.750 1.919 -2.930 433 HE1 PHE 58 1HE PHE 58 4.812 -1.928 -0.475 434 HE2 PHE 58 2HE PHE 58 7.799 1.130 -0.820 435 HZ PHE 58 HZ PHE 58 6.828 -0.788 0.405 436 H ARG 59 H ARG 59 4.919 -1.324 -7.423 437 HA ARG 59 HA ARG 59 4.242 0.913 -9.260 438 1HB ARG 59 1HB ARG 59 4.254 -1.041 -10.917 439 2HB ARG 59 2HB ARG 59 5.780 -0.696 -10.110 440 1HG ARG 59 1HG ARG 59 5.658 -2.597 -8.777 441 2HG ARG 59 2HG ARG 59 3.897 -2.653 -8.844 442 1HD ARG 59 1HD ARG 59 4.908 -4.481 -10.200 443 2HD ARG 59 2HD ARG 59 4.032 -3.338 -11.238 444 HE ARG 59 HE ARG 59 6.958 -3.659 -11.085 445 1HH1 ARG 59 1HH2 ARG 59 4.812 -2.982 -13.348 446 2HH1 ARG 59 2HH2 ARG 59 5.452 -1.457 -13.863 447 1HH2 ARG 59 1HH1 ARG 59 7.566 -1.123 -11.137 448 2HH2 ARG 59 2HH1 ARG 59 7.011 -0.405 -12.612 449 H VAL 60 H VAL 60 2.198 1.525 -8.784 450 HA VAL 60 HA VAL 60 0.061 -0.368 -8.160 451 HB VAL 60 HB VAL 60 0.570 1.913 -7.175 452 1HG1 VAL 60 1HG1 VAL 60 0.818 2.913 -9.538 453 2HG1 VAL 60 2HG1 VAL 60 -0.107 3.858 -8.371 454 3HG1 VAL 60 3HG1 VAL 60 -0.944 2.912 -9.599 455 1HG2 VAL 60 1HG2 VAL 60 -2.095 0.920 -8.125 456 2HG2 VAL 60 2HG2 VAL 60 -2.023 2.518 -7.383 457 3HG2 VAL 60 3HG2 VAL 60 -1.490 1.101 -6.478 458 H GLN 61 H GLN 61 -1.118 -1.361 -9.574 459 HA GLN 61 HA GLN 61 -2.184 -0.020 -11.975 460 1HB GLN 61 1HB GLN 61 -1.242 -1.667 -13.485 461 2HB GLN 61 2HB GLN 61 0.089 -1.031 -12.517 462 1HG GLN 61 1HG GLN 61 -0.965 -3.169 -11.022 463 2HG GLN 61 2HG GLN 61 -0.917 -3.747 -12.689 464 1HE2 GLN 61 1HE2 GLN 61 0.864 -4.849 -10.774 465 2HE2 GLN 61 2HE2 GLN 61 2.445 -4.341 -11.131 466 H LEU 62 H LEU 62 -3.738 -1.784 -13.070 467 HA LEU 62 HA LEU 62 -4.655 -3.899 -11.239 468 1HB LEU 62 1HB LEU 62 -5.592 -1.289 -10.919 469 2HB LEU 62 2HB LEU 62 -6.874 -2.092 -11.821 470 HG LEU 62 HG LEU 62 -6.502 -4.013 -10.050 471 1HD1 LEU 62 1HD1 LEU 62 -5.278 -1.564 -8.765 472 2HD1 LEU 62 2HD1 LEU 62 -4.599 -3.187 -8.880 473 3HD1 LEU 62 3HD1 LEU 62 -5.962 -2.874 -7.805 474 1HD2 LEU 62 1HD2 LEU 62 -8.208 -1.715 -10.225 475 2HD2 LEU 62 2HD2 LEU 62 -7.849 -2.011 -8.523 476 3HD2 LEU 62 3HD2 LEU 62 -8.565 -3.287 -9.508 477 H PHE 63 H PHE 63 -3.999 -4.892 -13.410 478 HA PHE 63 HA PHE 63 -6.389 -4.967 -15.209 479 1HB PHE 63 1HB PHE 63 -4.181 -3.568 -15.839 480 2HB PHE 63 2HB PHE 63 -3.644 -5.160 -16.373 481 HD1 PHE 63 1HD PHE 63 -5.432 -6.523 -17.788 482 HD2 PHE 63 2HD PHE 63 -5.423 -2.253 -17.314 483 HE1 PHE 63 1HE PHE 63 -6.796 -6.292 -19.845 484 HE2 PHE 63 2HE PHE 63 -6.788 -2.023 -19.372 485 HZ PHE 63 HZ PHE 63 -7.474 -4.042 -20.638 486 H GLU 64 H GLU 64 -5.853 -6.867 -13.205 487 HA GLU 64 HA GLU 64 -4.251 -9.064 -13.636 488 1HB GLU 64 1HB GLU 64 -6.621 -8.422 -12.255 489 2HB GLU 64 2HB GLU 64 -6.988 -9.900 -13.146 490 1HG GLU 64 1HG GLU 64 -4.359 -10.152 -12.046 491 2HG GLU 64 2HG GLU 64 -5.441 -9.616 -10.760 492 H ASP 65 H ASP 65 -4.251 -10.865 -15.027 493 HA ASP 65 HA ASP 65 -6.277 -10.873 -17.237 494 1HB ASP 65 1HB ASP 65 -4.301 -11.458 -18.718 495 2HB ASP 65 2HB ASP 65 -4.259 -9.823 -18.058 Start of MODEL 12 1 1H MET 1 1HT MET 1 -5.548 -5.281 -8.135 2 2H MET 1 2HT MET 1 -6.505 -4.567 -9.343 3 3H MET 1 3HT MET 1 -5.702 -6.034 -9.647 4 HA MET 1 HA MET 1 -8.107 -6.344 -9.220 5 1HB MET 1 1HB MET 1 -5.851 -7.466 -7.586 6 2HB MET 1 2HB MET 1 -7.494 -8.023 -7.266 7 1HG MET 1 1HG MET 1 -7.571 -8.279 -9.902 8 2HG MET 1 2HG MET 1 -5.817 -8.358 -9.731 9 1HE MET 1 1HE MET 1 -4.944 -11.210 -7.689 10 2HE MET 1 2HE MET 1 -5.729 -10.069 -6.599 11 3HE MET 1 3HE MET 1 -4.747 -9.469 -7.933 12 H ASP 2 H ASP 2 -9.173 -7.050 -6.810 13 HA ASP 2 HA ASP 2 -8.913 -4.745 -4.946 14 1HB ASP 2 1HB ASP 2 -11.478 -4.544 -5.132 15 2HB ASP 2 2HB ASP 2 -10.537 -3.939 -6.496 16 H ASP 3 H ASP 3 -11.888 -6.336 -4.616 17 HA ASP 3 HA ASP 3 -12.637 -7.733 -2.850 18 1HB ASP 3 1HB ASP 3 -10.404 -9.182 -4.285 19 2HB ASP 3 2HB ASP 3 -11.402 -9.980 -3.068 20 H GLN 4 H GLN 4 -9.448 -9.102 -2.502 21 HA GLN 4 HA GLN 4 -9.327 -8.042 0.277 22 1HB GLN 4 1HB GLN 4 -9.144 -10.510 -0.406 23 2HB GLN 4 2HB GLN 4 -7.565 -10.102 -1.076 24 1HG GLN 4 1HG GLN 4 -7.064 -9.077 1.245 25 2HG GLN 4 2HG GLN 4 -8.475 -9.978 1.801 26 1HE2 GLN 4 1HE2 GLN 4 -5.662 -10.702 -0.363 27 2HE2 GLN 4 2HE2 GLN 4 -5.304 -12.192 0.367 28 H GLY 5 H GLY 5 -8.677 -6.381 -2.122 29 1HA GLY 5 1HA GLY 5 -5.831 -6.148 -2.405 30 2HA GLY 5 2HA GLY 5 -7.002 -4.904 -2.843 31 H CYS 6 H CYS 6 -5.318 -3.447 -1.945 32 HA CYS 6 HA CYS 6 -4.167 -2.367 -0.161 33 1HB CYS 6 1HB CYS 6 -6.155 -1.081 -0.581 34 2HB CYS 6 2HB CYS 6 -7.147 -2.193 0.332 35 HA PRO 7 HA PRO 7 -4.308 -5.532 3.096 36 1HB PRO 7 1HB PRO 7 -1.602 -5.904 3.216 37 2HB PRO 7 2HB PRO 7 -2.647 -6.754 2.061 38 1HG PRO 7 1HG PRO 7 -0.755 -4.536 1.630 39 2HG PRO 7 2HG PRO 7 -1.342 -5.758 0.497 40 1HD PRO 7 1HD PRO 7 -2.196 -3.064 0.728 41 2HD PRO 7 2HD PRO 7 -2.889 -4.328 -0.305 42 H ARG 8 H ARG 8 -3.461 -2.350 2.883 43 HA ARG 8 HA ARG 8 -2.415 -2.267 5.698 44 1HB ARG 8 1HB ARG 8 -1.042 -1.501 3.577 45 2HB ARG 8 2HB ARG 8 -2.044 -0.054 3.698 46 1HG ARG 8 1HG ARG 8 -0.890 0.690 5.491 47 2HG ARG 8 2HG ARG 8 -1.006 -0.875 6.297 48 1HD ARG 8 1HD ARG 8 0.944 -1.701 5.163 49 2HD ARG 8 2HD ARG 8 0.941 -0.334 4.030 50 HE ARG 8 HE ARG 8 1.856 1.029 5.767 51 1HH1 ARG 8 1HH2 ARG 8 2.475 -2.048 6.591 52 2HH1 ARG 8 2HH2 ARG 8 2.396 -1.849 8.310 53 1HH2 ARG 8 1HH1 ARG 8 0.997 1.321 8.143 54 2HH2 ARG 8 2HH1 ARG 8 1.560 0.058 9.188 55 H CYS 9 H CYS 9 -4.088 -0.097 3.370 56 HA CYS 9 HA CYS 9 -5.679 0.953 5.685 57 1HB CYS 9 1HB CYS 9 -6.262 2.488 3.401 58 2HB CYS 9 2HB CYS 9 -5.211 2.936 4.730 59 H LYS 10 H LYS 10 -6.460 -1.602 4.637 60 HA LYS 10 HA LYS 10 -8.209 -2.149 2.761 61 1HB LYS 10 1HB LYS 10 -9.076 -3.694 4.202 62 2HB LYS 10 2HB LYS 10 -7.808 -3.085 5.255 63 1HG LYS 10 1HG LYS 10 -9.529 -1.418 6.138 64 2HG LYS 10 2HG LYS 10 -10.742 -2.371 5.282 65 1HD LYS 10 1HD LYS 10 -10.746 -3.338 7.425 66 2HD LYS 10 2HD LYS 10 -9.659 -4.399 6.529 67 1HE LYS 10 1HE LYS 10 -7.905 -2.488 7.417 68 2HE LYS 10 2HE LYS 10 -9.066 -2.547 8.758 69 1HZ LYS 10 1HZ LYS 10 -7.338 -4.657 7.675 70 2HZ LYS 10 2HZ LYS 10 -8.870 -5.117 8.247 71 3HZ LYS 10 3HZ LYS 10 -7.771 -4.342 9.285 72 H THR 11 H THR 11 -8.922 -0.233 1.748 73 HA THR 11 HA THR 11 -11.643 0.524 2.080 74 HB THR 11 HB THR 11 -10.516 1.510 4.196 75 HG1 THR 11 1HG THR 11 -11.543 3.654 3.635 76 1HG2 THR 11 1HG2 THR 11 -8.718 2.413 2.292 77 2HG2 THR 11 2HG2 THR 11 -8.818 2.976 3.963 78 3HG2 THR 11 3HG2 THR 11 -9.660 3.852 2.683 79 H THR 12 H THR 12 -9.849 -0.119 -0.047 80 HA THR 12 HA THR 12 -9.551 2.526 -1.409 81 HB THR 12 HB THR 12 -7.560 1.469 -2.425 82 HG1 THR 12 1HG THR 12 -8.752 -0.731 -1.593 83 1HG2 THR 12 1HG2 THR 12 -6.667 2.464 -0.633 84 2HG2 THR 12 2HG2 THR 12 -6.754 0.906 0.191 85 3HG2 THR 12 3HG2 THR 12 -8.073 2.068 0.349 86 H LYS 13 H LYS 13 -8.595 0.330 -3.611 87 HA LYS 13 HA LYS 13 -10.536 0.726 -5.498 88 1HB LYS 13 1HB LYS 13 -9.424 -0.963 -6.627 89 2HB LYS 13 2HB LYS 13 -8.280 -0.653 -5.340 90 1HG LYS 13 1HG LYS 13 -10.435 -2.724 -4.976 91 2HG LYS 13 2HG LYS 13 -8.934 -3.112 -5.813 92 1HD LYS 13 1HD LYS 13 -7.650 -2.863 -3.915 93 2HD LYS 13 2HD LYS 13 -8.734 -1.663 -3.211 94 1HE LYS 13 1HE LYS 13 -10.388 -3.820 -3.228 95 2HE LYS 13 2HE LYS 13 -8.824 -4.630 -3.021 96 1HZ LYS 13 1HZ LYS 13 -8.326 -2.957 -1.273 97 2HZ LYS 13 2HZ LYS 13 -9.636 -3.964 -0.874 98 3HZ LYS 13 3HZ LYS 13 -9.914 -2.376 -1.409 99 H TYR 14 H TYR 14 -10.810 -1.292 -2.644 100 HA TYR 14 HA TYR 14 -13.275 -2.597 -3.510 101 1HB TYR 14 1HB TYR 14 -11.478 -3.366 -1.793 102 2HB TYR 14 2HB TYR 14 -12.306 -2.286 -0.679 103 HD1 TYR 14 1HD TYR 14 -12.213 -5.568 -1.968 104 HD2 TYR 14 2HD TYR 14 -14.961 -2.542 -0.655 105 HE1 TYR 14 1HE TYR 14 -13.946 -7.302 -1.594 106 HE2 TYR 14 2HE TYR 14 -16.694 -4.274 -0.283 107 HH TYR 14 HH TYR 14 -16.194 -7.317 0.113 108 H ARG 15 H ARG 15 -12.380 0.017 -1.290 109 HA ARG 15 HA ARG 15 -15.204 0.891 -1.007 110 1HB ARG 15 1HB ARG 15 -12.518 1.557 0.192 111 2HB ARG 15 2HB ARG 15 -13.870 2.660 0.417 112 1HG ARG 15 1HG ARG 15 -13.549 0.933 2.259 113 2HG ARG 15 2HG ARG 15 -15.159 0.987 1.548 114 1HD ARG 15 1HD ARG 15 -14.498 -1.345 1.714 115 2HD ARG 15 2HD ARG 15 -14.421 -0.900 0.007 116 HE ARG 15 HE ARG 15 -11.969 -0.696 0.252 117 1HH1 ARG 15 1HH2 ARG 15 -13.297 -1.097 3.333 118 2HH1 ARG 15 2HH2 ARG 15 -12.124 -2.254 3.870 119 1HH2 ARG 15 1HH1 ARG 15 -10.634 -2.587 0.757 120 2HH2 ARG 15 2HH1 ARG 15 -10.618 -3.097 2.411 121 H ASN 16 H ASN 16 -12.117 2.490 -1.665 122 HA ASN 16 HA ASN 16 -13.208 4.716 -3.158 123 1HB ASN 16 1HB ASN 16 -10.739 3.690 -2.063 124 2HB ASN 16 2HB ASN 16 -10.445 4.301 -3.680 125 1HD2 ASN 16 1HD2 ASN 16 -9.170 5.870 -2.084 126 2HD2 ASN 16 2HD2 ASN 16 -10.018 7.264 -1.614 127 HA PRO 17 HA PRO 17 -13.473 2.234 -6.903 128 1HB PRO 17 1HB PRO 17 -14.679 4.179 -8.415 129 2HB PRO 17 2HB PRO 17 -15.563 3.157 -7.265 130 1HG PRO 17 1HG PRO 17 -14.593 5.962 -6.980 131 2HG PRO 17 2HG PRO 17 -16.094 5.223 -6.403 132 1HD PRO 17 1HD PRO 17 -13.901 5.722 -4.823 133 2HD PRO 17 2HD PRO 17 -15.111 4.466 -4.480 134 H SER 18 H SER 18 -12.764 5.739 -7.310 135 HA SER 18 HA SER 18 -10.968 5.332 -9.533 136 1HB SER 18 1HB SER 18 -12.143 7.429 -9.123 137 2HB SER 18 2HB SER 18 -11.370 7.593 -7.548 138 HG SER 18 HG SER 18 -10.462 8.413 -9.888 139 H LEU 19 H LEU 19 -9.993 3.460 -7.908 140 HA LEU 19 HA LEU 19 -7.486 4.647 -6.771 141 1HB LEU 19 1HB LEU 19 -9.399 3.882 -5.180 142 2HB LEU 19 2HB LEU 19 -8.922 2.248 -5.641 143 HG LEU 19 HG LEU 19 -6.742 4.102 -4.830 144 1HD1 LEU 19 1HD1 LEU 19 -8.101 4.705 -3.045 145 2HD1 LEU 19 2HD1 LEU 19 -7.314 3.270 -2.398 146 3HD1 LEU 19 3HD1 LEU 19 -8.952 3.162 -3.040 147 1HD2 LEU 19 1HD2 LEU 19 -5.959 1.968 -5.312 148 2HD2 LEU 19 2HD2 LEU 19 -7.403 1.183 -4.684 149 3HD2 LEU 19 3HD2 LEU 19 -6.207 1.851 -3.573 150 H LYS 20 H LYS 20 -5.675 3.106 -6.772 151 HA LYS 20 HA LYS 20 -6.046 0.715 -8.517 152 1HB LYS 20 1HB LYS 20 -3.801 1.516 -9.581 153 2HB LYS 20 2HB LYS 20 -5.282 2.342 -10.064 154 1HG LYS 20 1HG LYS 20 -3.928 3.436 -7.662 155 2HG LYS 20 2HG LYS 20 -3.062 3.642 -9.185 156 1HD LYS 20 1HD LYS 20 -5.968 4.229 -9.273 157 2HD LYS 20 2HD LYS 20 -4.996 5.346 -8.314 158 1HE LYS 20 1HE LYS 20 -3.537 4.860 -10.707 159 2HE LYS 20 2HE LYS 20 -5.217 5.184 -11.183 160 1HZ LYS 20 1HZ LYS 20 -4.027 6.798 -9.040 161 2HZ LYS 20 2HZ LYS 20 -5.187 7.235 -10.202 162 3HZ LYS 20 3HZ LYS 20 -3.545 7.134 -10.630 163 H LEU 21 H LEU 21 -4.199 -0.814 -8.285 164 HA LEU 21 HA LEU 21 -2.936 -0.531 -5.582 165 1HB LEU 21 1HB LEU 21 -4.097 -2.796 -7.176 166 2HB LEU 21 2HB LEU 21 -2.894 -3.139 -5.933 167 HG LEU 21 HG LEU 21 -4.263 -2.169 -4.220 168 1HD1 LEU 21 1HD1 LEU 21 -5.829 -1.075 -6.553 169 2HD1 LEU 21 2HD1 LEU 21 -5.175 -0.208 -5.166 170 3HD1 LEU 21 3HD1 LEU 21 -6.582 -1.247 -4.969 171 1HD2 LEU 21 1HD2 LEU 21 -5.159 -4.309 -5.851 172 2HD2 LEU 21 2HD2 LEU 21 -6.587 -3.365 -5.428 173 3HD2 LEU 21 3HD2 LEU 21 -5.550 -4.014 -4.158 174 H MET 22 H MET 22 -0.731 -0.554 -5.495 175 HA MET 22 HA MET 22 0.744 -1.093 -8.010 176 1HB MET 22 1HB MET 22 2.231 -0.010 -5.735 177 2HB MET 22 2HB MET 22 2.105 0.624 -7.351 178 1HG MET 22 1HG MET 22 -0.054 1.660 -6.791 179 2HG MET 22 2HG MET 22 0.032 0.985 -5.177 180 1HE MET 22 1HE MET 22 2.932 2.577 -7.388 181 2HE MET 22 2HE MET 22 3.475 1.507 -6.098 182 3HE MET 22 3HE MET 22 3.849 3.226 -6.023 183 H VAL 23 H VAL 23 2.609 -2.529 -7.920 184 HA VAL 23 HA VAL 23 2.788 -4.226 -5.450 185 HB VAL 23 HB VAL 23 2.335 -5.008 -8.334 186 1HG1 VAL 23 1HG1 VAL 23 2.739 -7.356 -7.617 187 2HG1 VAL 23 2HG1 VAL 23 3.292 -6.762 -6.052 188 3HG1 VAL 23 3HG1 VAL 23 4.199 -6.371 -7.513 189 1HG2 VAL 23 1HG2 VAL 23 0.959 -6.368 -6.103 190 2HG2 VAL 23 2HG2 VAL 23 0.297 -5.717 -7.602 191 3HG2 VAL 23 3HG2 VAL 23 0.606 -4.645 -6.235 192 H ASN 24 H ASN 24 4.867 -5.594 -5.497 193 HA ASN 24 HA ASN 24 6.991 -4.869 -7.354 194 1HB ASN 24 1HB ASN 24 6.381 -3.145 -5.163 195 2HB ASN 24 2HB ASN 24 7.949 -3.888 -4.862 196 1HD2 ASN 24 1HD2 ASN 24 6.121 -2.204 -7.405 197 2HD2 ASN 24 2HD2 ASN 24 7.460 -1.449 -8.117 198 H VAL 25 H VAL 25 9.173 -5.546 -6.435 199 HA VAL 25 HA VAL 25 10.393 -7.513 -5.860 200 HB VAL 25 HB VAL 25 10.601 -5.735 -4.202 201 1HG1 VAL 25 1HG1 VAL 25 8.052 -6.920 -3.184 202 2HG1 VAL 25 2HG1 VAL 25 8.517 -5.232 -3.356 203 3HG1 VAL 25 3HG1 VAL 25 9.165 -6.192 -2.028 204 1HG2 VAL 25 1HG2 VAL 25 10.490 -7.909 -2.280 205 2HG2 VAL 25 2HG2 VAL 25 11.888 -7.066 -2.941 206 3HG2 VAL 25 3HG2 VAL 25 11.191 -8.433 -3.810 207 H CYS 26 H CYS 26 8.892 -8.501 -2.997 208 HA CYS 26 HA CYS 26 8.351 -11.100 -3.713 209 1HB CYS 26 1HB CYS 26 6.545 -10.926 -1.874 210 2HB CYS 26 2HB CYS 26 8.182 -10.454 -1.435 211 H GLY 27 H GLY 27 6.465 -8.290 -4.608 212 1HA GLY 27 1HA GLY 27 4.771 -8.142 -6.242 213 2HA GLY 27 2HA GLY 27 4.934 -9.881 -6.507 214 H HIS 28 H HIS 28 4.022 -7.840 -3.709 215 HA HIS 28 HA HIS 28 1.876 -9.775 -3.065 216 1HB HIS 28 1HB HIS 28 3.600 -7.870 -1.698 217 2HB HIS 28 2HB HIS 28 1.915 -7.667 -1.213 218 HD2 HIS 28 2HD HIS 28 0.866 -10.696 -1.108 219 HE1 HIS 28 1HE HIS 28 4.334 -11.663 1.080 220 HE2 HIS 28 2HE HIS 28 2.014 -12.448 0.439 221 H THR 29 H THR 29 1.626 -6.332 -2.424 222 HA THR 29 HA THR 29 -0.051 -5.524 -4.566 223 HB THR 29 HB THR 29 -1.290 -7.131 -2.365 224 HG1 THR 29 1HG THR 29 -1.833 -6.637 -5.101 225 1HG2 THR 29 1HG2 THR 29 -2.297 -4.496 -3.244 226 2HG2 THR 29 2HG2 THR 29 -2.685 -5.425 -1.795 227 3HG2 THR 29 3HG2 THR 29 -3.481 -5.802 -3.323 228 H LEU 30 H LEU 30 -0.655 -3.336 -4.250 229 HA LEU 30 HA LEU 30 -0.392 -2.168 -1.529 230 1HB LEU 30 1HB LEU 30 1.716 -2.283 -3.316 231 2HB LEU 30 2HB LEU 30 1.085 -0.666 -3.558 232 HG LEU 30 HG LEU 30 1.043 -0.578 -0.981 233 1HD1 LEU 30 1HD1 LEU 30 1.487 -2.941 -0.584 234 2HD1 LEU 30 2HD1 LEU 30 2.857 -2.005 0.019 235 3HD1 LEU 30 3HD1 LEU 30 2.973 -2.851 -1.525 236 1HD2 LEU 30 1HD2 LEU 30 3.838 -0.502 -1.408 237 2HD2 LEU 30 2HD2 LEU 30 2.703 0.845 -1.432 238 3HD2 LEU 30 3HD2 LEU 30 3.075 -0.023 -2.923 239 H CYS 31 H CYS 31 -2.628 -1.533 -1.769 240 HA CYS 31 HA CYS 31 -3.782 -0.281 -3.999 241 1HB CYS 31 1HB CYS 31 -5.471 -0.009 -2.505 242 2HB CYS 31 2HB CYS 31 -4.450 -0.949 -1.454 243 H GLU 32 H GLU 32 -4.165 2.158 -4.293 244 HA GLU 32 HA GLU 32 -1.657 3.565 -4.297 245 1HB GLU 32 1HB GLU 32 -2.920 4.992 -5.542 246 2HB GLU 32 2HB GLU 32 -4.289 3.931 -5.240 247 1HG GLU 32 1HG GLU 32 -3.520 6.106 -3.287 248 2HG GLU 32 2HG GLU 32 -4.584 6.422 -4.656 249 H SER 33 H SER 33 -4.325 3.421 -2.001 250 HA SER 33 HA SER 33 -3.373 5.413 -0.172 251 1HB SER 33 1HB SER 33 -5.092 3.026 0.600 252 2HB SER 33 2HB SER 33 -5.177 4.696 1.163 253 HG SER 33 HG SER 33 -6.530 5.052 -0.361 254 H CYS 34 H CYS 34 -2.166 2.218 -0.814 255 HA CYS 34 HA CYS 34 -1.146 1.841 1.938 256 1HB CYS 34 1HB CYS 34 -1.002 0.308 -0.674 257 2HB CYS 34 2HB CYS 34 0.134 -0.048 0.626 258 H VAL 35 H VAL 35 0.389 2.105 -1.287 259 HA VAL 35 HA VAL 35 3.021 2.597 -0.527 260 HB VAL 35 HB VAL 35 1.241 3.066 -2.794 261 1HG1 VAL 35 1HG1 VAL 35 3.292 5.166 -2.133 262 2HG1 VAL 35 2HG1 VAL 35 1.639 5.376 -2.717 263 3HG1 VAL 35 3HG1 VAL 35 2.893 4.791 -3.811 264 1HG2 VAL 35 1HG2 VAL 35 3.866 1.996 -2.224 265 2HG2 VAL 35 2HG2 VAL 35 3.900 3.003 -3.667 266 3HG2 VAL 35 3HG2 VAL 35 2.782 1.644 -3.566 267 H ASP 36 H ASP 36 0.214 4.689 -0.190 268 HA ASP 36 HA ASP 36 1.743 7.126 0.332 269 1HB ASP 36 1HB ASP 36 -0.311 8.071 0.078 270 2HB ASP 36 2HB ASP 36 -0.818 6.468 -0.442 271 H LEU 37 H LEU 37 -0.042 4.803 2.403 272 HA LEU 37 HA LEU 37 0.815 6.237 4.836 273 1HB LEU 37 1HB LEU 37 -1.316 4.638 4.054 274 2HB LEU 37 2HB LEU 37 -0.384 3.586 5.121 275 HG LEU 37 HG LEU 37 -2.006 4.857 6.439 276 1HD1 LEU 37 1HD1 LEU 37 0.715 6.107 6.868 277 2HD1 LEU 37 2HD1 LEU 37 0.364 4.431 7.288 278 3HD1 LEU 37 3HD1 LEU 37 -0.509 5.741 8.083 279 1HD2 LEU 37 1HD2 LEU 37 -2.557 6.836 5.418 280 2HD2 LEU 37 2HD2 LEU 37 -0.930 7.077 4.781 281 3HD2 LEU 37 3HD2 LEU 37 -1.285 7.469 6.463 282 H LEU 38 H LEU 38 1.775 3.536 2.925 283 HA LEU 38 HA LEU 38 3.220 1.939 4.778 284 1HB LEU 38 1HB LEU 38 2.441 1.635 2.310 285 2HB LEU 38 2HB LEU 38 3.961 2.417 1.891 286 HG LEU 38 HG LEU 38 4.509 0.136 1.839 287 1HD1 LEU 38 1HD1 LEU 38 5.976 1.528 3.393 288 2HD1 LEU 38 2HD1 LEU 38 6.025 -0.212 3.670 289 3HD1 LEU 38 3HD1 LEU 38 5.078 0.826 4.737 290 1HD2 LEU 38 1HD2 LEU 38 2.978 -0.218 4.437 291 2HD2 LEU 38 2HD2 LEU 38 3.715 -1.496 3.469 292 3HD2 LEU 38 3HD2 LEU 38 2.339 -0.593 2.836 293 H PHE 39 H PHE 39 4.395 4.476 2.570 294 HA PHE 39 HA PHE 39 7.109 4.377 3.688 295 1HB PHE 39 1HB PHE 39 5.877 6.325 1.760 296 2HB PHE 39 2HB PHE 39 7.570 5.800 1.826 297 HD1 PHE 39 1HD PHE 39 5.540 5.612 -0.578 298 HD2 PHE 39 2HD PHE 39 6.843 2.850 2.437 299 HE1 PHE 39 1HE PHE 39 4.943 3.710 -2.050 300 HE2 PHE 39 2HE PHE 39 6.248 0.953 0.970 301 HZ PHE 39 HZ PHE 39 5.283 1.387 -1.252 302 H VAL 40 H VAL 40 4.518 6.806 3.445 303 HA VAL 40 HA VAL 40 5.692 9.048 4.496 304 HB VAL 40 HB VAL 40 3.427 9.408 5.612 305 1HG1 VAL 40 1HG1 VAL 40 3.596 8.449 2.748 306 2HG1 VAL 40 2HG1 VAL 40 3.777 10.106 3.327 307 3HG1 VAL 40 3HG1 VAL 40 2.207 9.306 3.418 308 1HG2 VAL 40 1HG2 VAL 40 1.737 7.687 5.193 309 2HG2 VAL 40 2HG2 VAL 40 3.037 7.025 6.175 310 3HG2 VAL 40 3HG2 VAL 40 2.957 6.645 4.464 311 H ARG 41 H ARG 41 4.858 6.108 6.328 312 HA ARG 41 HA ARG 41 6.567 7.139 8.539 313 1HB ARG 41 1HB ARG 41 3.796 6.106 9.119 314 2HB ARG 41 2HB ARG 41 4.826 7.122 10.127 315 1HG ARG 41 1HG ARG 41 4.561 8.981 8.523 316 2HG ARG 41 2HG ARG 41 3.556 7.965 7.496 317 1HD ARG 41 1HD ARG 41 1.737 8.094 8.942 318 2HD ARG 41 2HD ARG 41 2.763 8.262 10.380 319 HE ARG 41 HE ARG 41 1.743 10.445 8.815 320 1HH1 ARG 41 1HH1 ARG 41 2.789 10.829 11.558 321 2HH1 ARG 41 2HH1 ARG 41 4.253 11.715 11.290 322 1HH2 ARG 41 1HH2 ARG 41 4.425 10.927 7.918 323 2HH2 ARG 41 2HH2 ARG 41 5.179 11.771 9.229 324 H GLY 42 H GLY 42 6.165 4.662 6.529 325 1HA GLY 42 1HA GLY 42 7.140 2.721 8.539 326 2HA GLY 42 2HA GLY 42 5.675 2.266 7.674 327 H ALA 43 H ALA 43 7.748 4.124 5.700 328 HA ALA 43 HA ALA 43 8.134 2.199 3.711 329 1HB ALA 43 1HB ALA 43 10.453 3.903 3.956 330 2HB ALA 43 2HB ALA 43 9.002 4.817 4.368 331 3HB ALA 43 3HB ALA 43 9.125 4.014 2.802 332 H GLY 44 H GLY 44 9.453 0.394 3.525 333 1HA GLY 44 1HA GLY 44 11.886 -0.315 4.006 334 2HA GLY 44 2HA GLY 44 11.470 -0.009 5.689 335 H ASN 45 H ASN 45 8.641 -1.190 4.696 336 HA ASN 45 HA ASN 45 9.413 -4.045 4.516 337 1HB ASN 45 1HB ASN 45 8.781 -2.647 6.972 338 2HB ASN 45 2HB ASN 45 7.618 -3.940 6.683 339 1HD2 ASN 45 1HD2 ASN 45 10.979 -4.085 5.513 340 2HD2 ASN 45 2HD2 ASN 45 11.459 -5.346 6.543 341 H CYS 46 H CYS 46 7.970 -5.072 3.257 342 HA CYS 46 HA CYS 46 5.764 -4.102 1.899 343 1HB CYS 46 1HB CYS 46 7.027 -6.371 1.926 344 2HB CYS 46 2HB CYS 46 5.866 -6.849 3.154 345 HA PRO 47 HA PRO 47 2.691 -3.372 5.023 346 1HB PRO 47 1HB PRO 47 0.462 -3.533 3.424 347 2HB PRO 47 2HB PRO 47 1.547 -2.149 3.452 348 1HG PRO 47 1HG PRO 47 1.426 -4.419 1.536 349 2HG PRO 47 2HG PRO 47 1.610 -2.686 1.231 350 1HD PRO 47 1HD PRO 47 3.700 -4.418 1.196 351 2HD PRO 47 2HD PRO 47 3.873 -2.721 1.704 352 H GLU 48 H GLU 48 3.153 -6.246 3.329 353 HA GLU 48 HA GLU 48 1.176 -7.649 5.080 354 1HB GLU 48 1HB GLU 48 1.578 -9.201 2.780 355 2HB GLU 48 2HB GLU 48 0.145 -8.273 3.174 356 1HG GLU 48 1HG GLU 48 1.320 -6.274 2.090 357 2HG GLU 48 2HG GLU 48 2.504 -7.431 1.477 358 H CYS 49 H CYS 49 4.275 -8.004 3.281 359 HA CYS 49 HA CYS 49 4.958 -10.167 5.244 360 1HB CYS 49 1HB CYS 49 5.875 -11.406 3.503 361 2HB CYS 49 2HB CYS 49 4.546 -10.592 2.693 362 H GLY 50 H GLY 50 5.471 -7.144 5.176 363 1HA GLY 50 1HA GLY 50 7.289 -5.650 5.450 364 2HA GLY 50 2HA GLY 50 7.740 -6.873 6.630 365 H THR 51 H THR 51 7.737 -7.600 3.178 366 HA THR 51 HA THR 51 10.287 -8.711 3.067 367 HB THR 51 HB THR 51 8.343 -7.480 1.211 368 HG1 THR 51 1HG THR 51 10.007 -9.769 1.203 369 1HG2 THR 51 1HG2 THR 51 10.507 -6.328 0.570 370 2HG2 THR 51 2HG2 THR 51 9.788 -7.322 -0.695 371 3HG2 THR 51 3HG2 THR 51 11.168 -7.927 0.221 372 HA PRO 52 HA PRO 52 13.075 -5.410 3.774 373 1HB PRO 52 1HB PRO 52 15.221 -6.261 2.290 374 2HB PRO 52 2HB PRO 52 14.761 -6.975 3.849 375 1HG PRO 52 1HG PRO 52 14.201 -7.926 1.071 376 2HG PRO 52 2HG PRO 52 14.689 -8.852 2.499 377 1HD PRO 52 1HD PRO 52 12.124 -8.739 1.606 378 2HD PRO 52 2HD PRO 52 12.538 -8.933 3.324 379 H LEU 53 H LEU 53 11.359 -4.234 2.197 380 HA LEU 53 HA LEU 53 12.110 -3.699 -0.524 381 1HB LEU 53 1HB LEU 53 10.585 -2.016 1.498 382 2HB LEU 53 2HB LEU 53 10.497 -1.853 -0.257 383 HG LEU 53 HG LEU 53 9.971 -4.558 0.884 384 1HD1 LEU 53 1HD1 LEU 53 8.709 -3.132 2.420 385 2HD1 LEU 53 2HD1 LEU 53 7.596 -3.938 1.314 386 3HD1 LEU 53 3HD1 LEU 53 8.015 -2.245 1.063 387 1HD2 LEU 53 1HD2 LEU 53 8.275 -4.526 -0.944 388 2HD2 LEU 53 2HD2 LEU 53 9.901 -4.176 -1.527 389 3HD2 LEU 53 3HD2 LEU 53 8.740 -2.865 -1.313 390 H ARG 54 H ARG 54 12.191 -1.285 2.104 391 HA ARG 54 HA ARG 54 13.922 0.178 2.793 392 1HB ARG 54 1HB ARG 54 15.206 -2.046 1.740 393 2HB ARG 54 2HB ARG 54 15.911 -0.705 0.835 394 1HG ARG 54 1HG ARG 54 15.686 0.059 3.594 395 2HG ARG 54 2HG ARG 54 16.488 -1.510 3.506 396 1HD ARG 54 1HD ARG 54 17.510 0.216 1.420 397 2HD ARG 54 2HD ARG 54 17.649 1.021 2.996 398 HE ARG 54 HE ARG 54 18.639 -1.264 3.758 399 1HH1 ARG 54 1HH2 ARG 54 19.542 0.654 1.145 400 2HH1 ARG 54 2HH2 ARG 54 20.668 -0.482 0.478 401 1HH2 ARG 54 1HH1 ARG 54 19.785 -3.035 2.651 402 2HH2 ARG 54 2HH1 ARG 54 20.805 -2.570 1.331 403 H LYS 55 H LYS 55 12.101 0.573 0.333 404 HA LYS 55 HA LYS 55 13.131 3.149 -0.424 405 1HB LYS 55 1HB LYS 55 13.905 2.648 -2.670 406 2HB LYS 55 2HB LYS 55 14.754 1.588 -1.546 407 1HG LYS 55 1HG LYS 55 12.223 0.449 -2.485 408 2HG LYS 55 2HG LYS 55 13.359 0.766 -3.797 409 1HD LYS 55 1HD LYS 55 14.950 -0.701 -2.947 410 2HD LYS 55 2HD LYS 55 14.364 -0.532 -1.293 411 1HE LYS 55 1HE LYS 55 12.551 -2.010 -1.665 412 2HE LYS 55 2HE LYS 55 12.651 -1.825 -3.427 413 1HZ LYS 55 1HZ LYS 55 14.632 -3.128 -1.627 414 2HZ LYS 55 2HZ LYS 55 14.926 -2.791 -3.265 415 3HZ LYS 55 3HZ LYS 55 13.699 -3.881 -2.826 416 H SER 56 H SER 56 10.592 1.636 0.241 417 HA SER 56 HA SER 56 8.351 1.482 -0.532 418 1HB SER 56 1HB SER 56 7.766 3.805 -1.541 419 2HB SER 56 2HB SER 56 8.419 3.757 0.095 420 HG SER 56 HG SER 56 10.131 4.754 -0.553 421 H ASN 57 H ASN 57 9.625 -0.111 -2.274 422 HA ASN 57 HA ASN 57 9.373 0.923 -5.036 423 1HB ASN 57 1HB ASN 57 10.317 -1.347 -5.553 424 2HB ASN 57 2HB ASN 57 11.290 -0.452 -4.391 425 1HD2 ASN 57 1HD2 ASN 57 9.903 -3.449 -4.950 426 2HD2 ASN 57 2HD2 ASN 57 9.867 -4.018 -3.355 427 H PHE 58 H PHE 58 7.320 0.927 -5.874 428 HA PHE 58 HA PHE 58 5.742 -1.567 -5.883 429 1HB PHE 58 1HB PHE 58 4.696 1.008 -4.624 430 2HB PHE 58 2HB PHE 58 3.770 -0.458 -4.876 431 HD1 PHE 58 1HD PHE 58 6.572 0.975 -2.936 432 HD2 PHE 58 2HD PHE 58 4.058 -2.441 -3.593 433 HE1 PHE 58 1HE PHE 58 7.396 -0.045 -0.830 434 HE2 PHE 58 2HE PHE 58 4.880 -3.455 -1.487 435 HZ PHE 58 HZ PHE 58 6.550 -2.256 -0.105 436 H ARG 59 H ARG 59 4.603 -1.663 -7.865 437 HA ARG 59 HA ARG 59 4.726 0.791 -9.570 438 1HB ARG 59 1HB ARG 59 4.273 -1.059 -11.370 439 2HB ARG 59 2HB ARG 59 5.877 -0.951 -10.650 440 1HG ARG 59 1HG ARG 59 5.621 -2.903 -9.459 441 2HG ARG 59 2HG ARG 59 3.882 -2.678 -9.263 442 1HD ARG 59 1HD ARG 59 4.620 -4.570 -10.857 443 2HD ARG 59 2HD ARG 59 3.449 -3.410 -11.516 444 HE ARG 59 HE ARG 59 5.149 -2.755 -13.023 445 1HH1 ARG 59 1HH2 ARG 59 6.621 -5.270 -11.740 446 2HH1 ARG 59 2HH2 ARG 59 8.200 -4.582 -11.551 447 1HH2 ARG 59 1HH1 ARG 59 7.137 -1.327 -12.092 448 2HH2 ARG 59 2HH1 ARG 59 8.492 -2.351 -11.751 449 H VAL 60 H VAL 60 2.848 1.857 -9.432 450 HA VAL 60 HA VAL 60 0.331 0.503 -8.817 451 HB VAL 60 HB VAL 60 1.146 2.632 -7.850 452 1HG1 VAL 60 1HG1 VAL 60 2.271 3.626 -9.721 453 2HG1 VAL 60 2HG1 VAL 60 0.893 4.670 -9.374 454 3HG1 VAL 60 3HG1 VAL 60 0.825 3.539 -10.727 455 1HG2 VAL 60 1HG2 VAL 60 -1.175 3.754 -9.150 456 2HG2 VAL 60 2HG2 VAL 60 -1.044 3.097 -7.519 457 3HG2 VAL 60 3HG2 VAL 60 -1.451 2.035 -8.868 458 H GLN 61 H GLN 61 -1.399 0.258 -10.142 459 HA GLN 61 HA GLN 61 -1.865 1.513 -12.665 460 1HB GLN 61 1HB GLN 61 -1.224 -0.487 -14.083 461 2HB GLN 61 2HB GLN 61 0.153 0.336 -13.349 462 1HG GLN 61 1HG GLN 61 -0.250 -1.386 -11.391 463 2HG GLN 61 2HG GLN 61 -1.076 -2.313 -12.643 464 1HE2 GLN 61 1HE2 GLN 61 0.763 -3.905 -12.393 465 2HE2 GLN 61 2HE2 GLN 61 2.231 -3.593 -13.184 466 H LEU 62 H LEU 62 -3.558 0.048 -13.934 467 HA LEU 62 HA LEU 62 -4.964 -1.896 -12.213 468 1HB LEU 62 1HB LEU 62 -5.519 0.839 -12.055 469 2HB LEU 62 2HB LEU 62 -6.797 0.199 -13.089 470 HG LEU 62 HG LEU 62 -7.319 -1.513 -11.395 471 1HD1 LEU 62 1HD1 LEU 62 -5.023 -0.196 -9.924 472 2HD1 LEU 62 2HD1 LEU 62 -5.188 -1.895 -10.368 473 3HD1 LEU 62 3HD1 LEU 62 -6.218 -1.208 -9.113 474 1HD2 LEU 62 1HD2 LEU 62 -8.200 0.008 -9.651 475 2HD2 LEU 62 2HD2 LEU 62 -8.460 0.671 -11.263 476 3HD2 LEU 62 3HD2 LEU 62 -7.156 1.295 -10.254 477 H PHE 63 H PHE 63 -5.842 -3.430 -13.531 478 HA PHE 63 HA PHE 63 -6.093 -2.827 -16.444 479 1HB PHE 63 1HB PHE 63 -4.779 -4.788 -15.183 480 2HB PHE 63 2HB PHE 63 -6.364 -5.558 -15.252 481 HD1 PHE 63 1HD PHE 63 -4.307 -3.412 -17.556 482 HD2 PHE 63 2HD PHE 63 -6.619 -6.997 -17.057 483 HE1 PHE 63 1HE PHE 63 -3.918 -3.995 -19.935 484 HE2 PHE 63 2HE PHE 63 -6.230 -7.580 -19.436 485 HZ PHE 63 HZ PHE 63 -4.879 -6.077 -20.875 486 H GLU 64 H GLU 64 -7.886 -4.246 -13.705 487 HA GLU 64 HA GLU 64 -10.194 -4.732 -13.475 488 1HB GLU 64 1HB GLU 64 -9.930 -2.197 -13.593 489 2HB GLU 64 2HB GLU 64 -10.405 -2.312 -15.288 490 1HG GLU 64 1HG GLU 64 -12.530 -2.131 -14.507 491 2HG GLU 64 2HG GLU 64 -12.343 -3.819 -14.026 492 H ASP 65 H ASP 65 -9.591 -6.629 -15.070 493 HA ASP 65 HA ASP 65 -10.692 -6.319 -17.793 494 1HB ASP 65 1HB ASP 65 -8.607 -7.649 -16.965 495 2HB ASP 65 2HB ASP 65 -9.779 -8.868 -16.462 Start of MODEL 13 1 1H MET 1 1HT MET 1 -7.483 -5.670 -5.933 2 2H MET 1 2HT MET 1 -6.872 -6.145 -7.445 3 3H MET 1 3HT MET 1 -7.871 -7.197 -6.562 4 HA MET 1 HA MET 1 -8.609 -4.778 -8.082 5 1HB MET 1 1HB MET 1 -9.366 -7.684 -7.819 6 2HB MET 1 2HB MET 1 -10.468 -6.543 -8.593 7 1HG MET 1 1HG MET 1 -7.564 -6.887 -9.393 8 2HG MET 1 2HG MET 1 -8.901 -7.714 -10.191 9 1HE MET 1 1HE MET 1 -11.228 -5.477 -10.010 10 2HE MET 1 2HE MET 1 -10.842 -6.661 -11.256 11 3HE MET 1 3HE MET 1 -11.041 -4.966 -11.693 12 H ASP 2 H ASP 2 -10.762 -3.896 -7.663 13 HA ASP 2 HA ASP 2 -11.390 -3.194 -5.049 14 1HB ASP 2 1HB ASP 2 -12.465 -2.095 -6.853 15 2HB ASP 2 2HB ASP 2 -13.049 -3.612 -7.538 16 H ASP 3 H ASP 3 -12.014 -6.243 -6.648 17 HA ASP 3 HA ASP 3 -14.073 -7.217 -4.871 18 1HB ASP 3 1HB ASP 3 -12.011 -8.629 -6.597 19 2HB ASP 3 2HB ASP 3 -13.454 -9.384 -5.920 20 H GLN 4 H GLN 4 -10.540 -7.209 -4.763 21 HA GLN 4 HA GLN 4 -10.371 -9.097 -2.536 22 1HB GLN 4 1HB GLN 4 -8.689 -8.359 -4.464 23 2HB GLN 4 2HB GLN 4 -8.211 -7.152 -3.269 24 1HG GLN 4 1HG GLN 4 -6.862 -9.258 -3.131 25 2HG GLN 4 2HG GLN 4 -7.729 -8.898 -1.639 26 1HE2 GLN 4 1HE2 GLN 4 -8.766 -10.707 -0.797 27 2HE2 GLN 4 2HE2 GLN 4 -9.385 -11.996 -1.711 28 H GLY 5 H GLY 5 -9.233 -5.699 -2.690 29 1HA GLY 5 1HA GLY 5 -10.177 -4.005 -1.134 30 2HA GLY 5 2HA GLY 5 -10.421 -5.311 0.025 31 H CYS 6 H CYS 6 -8.399 -2.768 -0.766 32 HA CYS 6 HA CYS 6 -5.777 -3.286 -0.494 33 1HB CYS 6 1HB CYS 6 -6.318 -1.051 -0.282 34 2HB CYS 6 2HB CYS 6 -7.677 -1.383 0.779 35 HA PRO 7 HA PRO 7 -5.223 -5.611 3.270 36 1HB PRO 7 1HB PRO 7 -2.493 -5.567 3.275 37 2HB PRO 7 2HB PRO 7 -3.435 -6.549 2.136 38 1HG PRO 7 1HG PRO 7 -1.870 -4.117 1.672 39 2HG PRO 7 2HG PRO 7 -2.429 -5.331 0.519 40 1HD PRO 7 1HD PRO 7 -3.560 -2.738 1.096 41 2HD PRO 7 2HD PRO 7 -4.062 -3.918 -0.133 42 H ARG 8 H ARG 8 -2.940 -2.859 2.925 43 HA ARG 8 HA ARG 8 -2.566 -2.424 5.741 44 1HB ARG 8 1HB ARG 8 -1.310 -1.664 3.488 45 2HB ARG 8 2HB ARG 8 -2.283 -0.216 3.739 46 1HG ARG 8 1HG ARG 8 -1.001 0.462 5.461 47 2HG ARG 8 2HG ARG 8 -1.056 -1.133 6.218 48 1HD ARG 8 1HD ARG 8 0.567 -1.646 4.084 49 2HD ARG 8 2HD ARG 8 0.996 0.041 4.430 50 HE ARG 8 HE ARG 8 1.718 -2.189 6.067 51 1HH1 ARG 8 1HH1 ARG 8 0.843 1.123 6.075 52 2HH1 ARG 8 2HH1 ARG 8 1.153 1.348 7.764 53 1HH2 ARG 8 1HH2 ARG 8 1.895 -1.989 8.344 54 2HH2 ARG 8 2HH2 ARG 8 1.748 -0.412 9.049 55 H CYS 9 H CYS 9 -4.076 -0.118 3.503 56 HA CYS 9 HA CYS 9 -5.829 0.849 5.723 57 1HB CYS 9 1HB CYS 9 -6.223 2.514 3.535 58 2HB CYS 9 2HB CYS 9 -5.123 2.819 4.866 59 H LYS 10 H LYS 10 -6.796 -1.552 4.824 60 HA LYS 10 HA LYS 10 -8.325 -2.000 2.654 61 1HB LYS 10 1HB LYS 10 -9.817 -3.248 4.079 62 2HB LYS 10 2HB LYS 10 -8.222 -3.286 4.828 63 1HG LYS 10 1HG LYS 10 -9.122 -1.098 6.039 64 2HG LYS 10 2HG LYS 10 -10.689 -1.824 5.677 65 1HD LYS 10 1HD LYS 10 -9.908 -2.555 7.891 66 2HD LYS 10 2HD LYS 10 -9.943 -3.924 6.779 67 1HE LYS 10 1HE LYS 10 -7.664 -4.168 6.842 68 2HE LYS 10 2HE LYS 10 -7.386 -2.415 6.827 69 1HZ LYS 10 1HZ LYS 10 -6.818 -3.172 8.989 70 2HZ LYS 10 2HZ LYS 10 -8.219 -4.125 9.112 71 3HZ LYS 10 3HZ LYS 10 -8.335 -2.430 9.146 72 H THR 11 H THR 11 -8.932 0.020 1.631 73 HA THR 11 HA THR 11 -11.636 0.851 2.123 74 HB THR 11 HB THR 11 -10.094 1.761 4.065 75 HG1 THR 11 1HG THR 11 -12.158 2.417 4.046 76 1HG2 THR 11 1HG2 THR 11 -9.169 3.983 3.545 77 2HG2 THR 11 2HG2 THR 11 -9.695 3.813 1.865 78 3HG2 THR 11 3HG2 THR 11 -8.439 2.752 2.509 79 H THR 12 H THR 12 -9.176 0.591 0.020 80 HA THR 12 HA THR 12 -9.673 3.162 -1.374 81 HB THR 12 HB THR 12 -7.692 2.207 -2.738 82 HG1 THR 12 1HG THR 12 -7.383 0.185 -2.249 83 1HG2 THR 12 1HG2 THR 12 -7.934 3.624 -0.357 84 2HG2 THR 12 2HG2 THR 12 -6.495 3.528 -1.374 85 3HG2 THR 12 3HG2 THR 12 -6.697 2.413 -0.022 86 H LYS 13 H LYS 13 -8.696 0.996 -3.668 87 HA LYS 13 HA LYS 13 -10.754 1.114 -5.411 88 1HB LYS 13 1HB LYS 13 -10.153 -1.594 -5.517 89 2HB LYS 13 2HB LYS 13 -9.374 -0.325 -6.419 90 1HG LYS 13 1HG LYS 13 -7.734 -1.703 -5.282 91 2HG LYS 13 2HG LYS 13 -7.699 -0.077 -4.626 92 1HD LYS 13 1HD LYS 13 -7.591 -1.686 -2.803 93 2HD LYS 13 2HD LYS 13 -9.154 -0.883 -2.731 94 1HE LYS 13 1HE LYS 13 -9.089 -3.487 -2.518 95 2HE LYS 13 2HE LYS 13 -10.286 -2.782 -3.617 96 1HZ LYS 13 1HZ LYS 13 -7.549 -3.414 -4.541 97 2HZ LYS 13 2HZ LYS 13 -8.969 -3.248 -5.459 98 3HZ LYS 13 3HZ LYS 13 -8.732 -4.628 -4.496 99 H TYR 14 H TYR 14 -10.884 -0.847 -2.446 100 HA TYR 14 HA TYR 14 -13.350 -2.199 -3.043 101 1HB TYR 14 1HB TYR 14 -11.568 -2.588 -1.194 102 2HB TYR 14 2HB TYR 14 -12.422 -1.328 -0.306 103 HD1 TYR 14 1HD TYR 14 -12.125 -4.690 -0.365 104 HD2 TYR 14 2HD TYR 14 -15.209 -1.737 -0.816 105 HE1 TYR 14 1HE TYR 14 -13.822 -6.357 0.334 106 HE2 TYR 14 2HE TYR 14 -16.907 -3.403 -0.118 107 HH TYR 14 HH TYR 14 -17.044 -5.475 1.122 108 H ARG 15 H ARG 15 -12.595 0.721 -1.195 109 HA ARG 15 HA ARG 15 -15.423 1.606 -1.207 110 1HB ARG 15 1HB ARG 15 -12.862 2.167 0.160 111 2HB ARG 15 2HB ARG 15 -13.860 3.592 -0.110 112 1HG ARG 15 1HG ARG 15 -15.110 2.967 1.664 113 2HG ARG 15 2HG ARG 15 -15.600 1.531 0.762 114 1HD ARG 15 1HD ARG 15 -13.129 1.780 2.515 115 2HD ARG 15 2HD ARG 15 -14.588 0.847 2.892 116 HE ARG 15 HE ARG 15 -12.816 0.246 0.516 117 1HH1 ARG 15 1HH2 ARG 15 -15.739 -0.725 1.646 118 2HH1 ARG 15 2HH2 ARG 15 -15.310 -2.370 1.978 119 1HH2 ARG 15 1HH1 ARG 15 -11.905 -1.837 1.594 120 2HH2 ARG 15 2HH1 ARG 15 -13.138 -3.000 1.948 121 H ASN 16 H ASN 16 -12.281 3.059 -1.983 122 HA ASN 16 HA ASN 16 -13.199 5.074 -3.790 123 1HB ASN 16 1HB ASN 16 -10.755 3.844 -2.768 124 2HB ASN 16 2HB ASN 16 -10.590 4.228 -4.485 125 1HD2 ASN 16 1HD2 ASN 16 -8.948 5.760 -3.153 126 2HD2 ASN 16 2HD2 ASN 16 -9.558 7.311 -2.826 127 HA PRO 17 HA PRO 17 -14.022 2.187 -7.098 128 1HB PRO 17 1HB PRO 17 -14.872 4.022 -8.952 129 2HB PRO 17 2HB PRO 17 -15.878 3.473 -7.597 130 1HG PRO 17 1HG PRO 17 -14.430 6.023 -7.984 131 2HG PRO 17 2HG PRO 17 -15.898 5.686 -7.060 132 1HD PRO 17 1HD PRO 17 -13.294 6.021 -6.034 133 2HD PRO 17 2HD PRO 17 -14.713 5.419 -5.152 134 H SER 18 H SER 18 -12.902 5.205 -8.669 135 HA SER 18 HA SER 18 -11.188 3.828 -10.521 136 1HB SER 18 1HB SER 18 -12.062 6.001 -11.038 137 2HB SER 18 2HB SER 18 -11.436 6.681 -9.539 138 HG SER 18 HG SER 18 -10.140 7.153 -11.405 139 H LEU 19 H LEU 19 -10.257 2.522 -8.511 140 HA LEU 19 HA LEU 19 -7.753 3.900 -7.604 141 1HB LEU 19 1HB LEU 19 -9.774 3.456 -5.998 142 2HB LEU 19 2HB LEU 19 -9.235 1.781 -6.072 143 HG LEU 19 HG LEU 19 -8.288 3.101 -4.152 144 1HD1 LEU 19 1HD1 LEU 19 -7.106 1.217 -5.841 145 2HD1 LEU 19 2HD1 LEU 19 -6.575 1.643 -4.216 146 3HD1 LEU 19 3HD1 LEU 19 -5.861 2.441 -5.613 147 1HD2 LEU 19 1HD2 LEU 19 -6.242 4.364 -5.809 148 2HD2 LEU 19 2HD2 LEU 19 -7.214 5.047 -4.505 149 3HD2 LEU 19 3HD2 LEU 19 -7.853 5.000 -6.141 150 H LYS 20 H LYS 20 -5.893 2.495 -7.392 151 HA LYS 20 HA LYS 20 -6.237 -0.261 -8.494 152 1HB LYS 20 1HB LYS 20 -3.993 0.318 -9.710 153 2HB LYS 20 2HB LYS 20 -5.495 0.954 -10.377 154 1HG LYS 20 1HG LYS 20 -3.967 2.560 -8.343 155 2HG LYS 20 2HG LYS 20 -3.456 2.568 -10.032 156 1HD LYS 20 1HD LYS 20 -6.346 2.899 -9.744 157 2HD LYS 20 2HD LYS 20 -5.440 4.173 -8.926 158 1HE LYS 20 1HE LYS 20 -4.776 3.330 -11.759 159 2HE LYS 20 2HE LYS 20 -5.985 4.582 -11.411 160 1HZ LYS 20 1HZ LYS 20 -3.093 4.555 -10.833 161 2HZ LYS 20 2HZ LYS 20 -4.130 5.438 -9.817 162 3HZ LYS 20 3HZ LYS 20 -4.043 5.807 -11.473 163 H LEU 21 H LEU 21 -4.149 -1.557 -8.122 164 HA LEU 21 HA LEU 21 -3.030 -0.852 -5.429 165 1HB LEU 21 1HB LEU 21 -4.032 -3.319 -6.757 166 2HB LEU 21 2HB LEU 21 -2.638 -3.517 -5.696 167 HG LEU 21 HG LEU 21 -3.829 -2.562 -3.834 168 1HD1 LEU 21 1HD1 LEU 21 -6.029 -2.001 -5.845 169 2HD1 LEU 21 2HD1 LEU 21 -5.012 -0.791 -5.072 170 3HD1 LEU 21 3HD1 LEU 21 -6.153 -1.724 -4.109 171 1HD2 LEU 21 1HD2 LEU 21 -4.328 -4.940 -4.393 172 2HD2 LEU 21 2HD2 LEU 21 -5.712 -4.401 -5.345 173 3HD2 LEU 21 3HD2 LEU 21 -5.685 -4.141 -3.600 174 H MET 22 H MET 22 -0.826 -0.584 -5.335 175 HA MET 22 HA MET 22 0.734 -1.297 -7.758 176 1HB MET 22 1HB MET 22 2.156 0.220 -5.716 177 2HB MET 22 2HB MET 22 1.846 0.646 -7.392 178 1HG MET 22 1HG MET 22 -0.487 1.323 -6.716 179 2HG MET 22 2HG MET 22 -0.010 1.074 -5.036 180 1HE MET 22 1HE MET 22 -0.366 4.883 -6.127 181 2HE MET 22 2HE MET 22 -0.567 4.023 -4.602 182 3HE MET 22 3HE MET 22 -1.278 3.369 -6.076 183 H VAL 23 H VAL 23 2.778 -2.403 -7.498 184 HA VAL 23 HA VAL 23 2.822 -4.124 -5.050 185 HB VAL 23 HB VAL 23 3.278 -4.492 -7.972 186 1HG1 VAL 23 1HG1 VAL 23 4.690 -6.214 -5.912 187 2HG1 VAL 23 2HG1 VAL 23 5.496 -5.050 -6.964 188 3HG1 VAL 23 3HG1 VAL 23 4.690 -6.456 -7.659 189 1HG2 VAL 23 1HG2 VAL 23 2.524 -6.830 -6.464 190 2HG2 VAL 23 2HG2 VAL 23 1.578 -5.928 -7.648 191 3HG2 VAL 23 3HG2 VAL 23 1.547 -5.455 -5.950 192 H ASN 24 H ASN 24 4.884 -4.544 -4.083 193 HA ASN 24 HA ASN 24 7.017 -2.579 -4.846 194 1HB ASN 24 1HB ASN 24 6.998 -3.797 -2.139 195 2HB ASN 24 2HB ASN 24 7.304 -2.131 -2.614 196 1HD2 ASN 24 1HD2 ASN 24 4.865 -1.590 -4.015 197 2HD2 ASN 24 2HD2 ASN 24 3.583 -1.637 -2.904 198 H VAL 25 H VAL 25 8.749 -3.590 -5.741 199 HA VAL 25 HA VAL 25 10.089 -5.421 -6.447 200 HB VAL 25 HB VAL 25 11.404 -4.567 -4.721 201 1HG1 VAL 25 1HG1 VAL 25 9.638 -3.918 -3.186 202 2HG1 VAL 25 2HG1 VAL 25 10.857 -4.835 -2.304 203 3HG1 VAL 25 3HG1 VAL 25 9.337 -5.598 -2.754 204 1HG2 VAL 25 1HG2 VAL 25 11.244 -7.050 -3.223 205 2HG2 VAL 25 2HG2 VAL 25 12.548 -6.432 -4.235 206 3HG2 VAL 25 3HG2 VAL 25 11.221 -7.335 -4.963 207 H CYS 26 H CYS 26 9.395 -7.175 -3.466 208 HA CYS 26 HA CYS 26 8.763 -9.608 -4.737 209 1HB CYS 26 1HB CYS 26 7.658 -10.083 -2.479 210 2HB CYS 26 2HB CYS 26 9.330 -9.533 -2.412 211 H GLY 27 H GLY 27 7.228 -9.521 -6.318 212 1HA GLY 27 1HA GLY 27 4.977 -8.005 -6.659 213 2HA GLY 27 2HA GLY 27 5.002 -9.705 -7.113 214 H HIS 28 H HIS 28 3.971 -7.400 -4.663 215 HA HIS 28 HA HIS 28 2.359 -9.606 -3.450 216 1HB HIS 28 1HB HIS 28 4.237 -7.677 -2.258 217 2HB HIS 28 2HB HIS 28 2.693 -7.778 -1.409 218 HD2 HIS 28 2HD HIS 28 2.105 -10.966 -1.901 219 HE1 HIS 28 1HE HIS 28 5.819 -11.666 -0.046 220 HE2 HIS 28 2HE HIS 28 3.637 -12.728 -0.757 221 H THR 29 H THR 29 1.871 -6.386 -2.199 222 HA THR 29 HA THR 29 -0.116 -5.565 -4.160 223 HB THR 29 HB THR 29 -0.858 -7.188 -1.737 224 HG1 THR 29 1HG THR 29 -1.272 -7.216 -4.492 225 1HG2 THR 29 1HG2 THR 29 -2.212 -4.785 -2.670 226 2HG2 THR 29 2HG2 THR 29 -2.566 -5.787 -1.264 227 3HG2 THR 29 3HG2 THR 29 -3.248 -6.202 -2.834 228 H LEU 30 H LEU 30 -0.473 -3.406 -3.864 229 HA LEU 30 HA LEU 30 -0.339 -2.200 -1.137 230 1HB LEU 30 1HB LEU 30 1.885 -2.344 -2.535 231 2HB LEU 30 2HB LEU 30 1.189 -1.017 -3.441 232 HG LEU 30 HG LEU 30 0.835 0.048 -1.068 233 1HD1 LEU 30 1HD1 LEU 30 1.473 -1.907 0.233 234 2HD1 LEU 30 2HD1 LEU 30 2.652 -0.621 0.486 235 3HD1 LEU 30 3HD1 LEU 30 3.033 -1.971 -0.584 236 1HD2 LEU 30 1HD2 LEU 30 2.548 0.478 -3.064 237 2HD2 LEU 30 2HD2 LEU 30 3.698 -0.098 -1.856 238 3HD2 LEU 30 3HD2 LEU 30 2.696 1.306 -1.517 239 H CYS 31 H CYS 31 -2.623 -1.680 -1.451 240 HA CYS 31 HA CYS 31 -3.819 -0.626 -3.748 241 1HB CYS 31 1HB CYS 31 -5.587 -0.335 -2.337 242 2HB CYS 31 2HB CYS 31 -4.569 -1.208 -1.214 243 H GLU 32 H GLU 32 -4.769 1.854 -3.577 244 HA GLU 32 HA GLU 32 -2.442 3.501 -4.191 245 1HB GLU 32 1HB GLU 32 -4.090 4.775 -5.093 246 2HB GLU 32 2HB GLU 32 -5.252 3.629 -4.446 247 1HG GLU 32 1HG GLU 32 -5.874 5.850 -3.703 248 2HG GLU 32 2HG GLU 32 -5.307 4.942 -2.311 249 H SER 33 H SER 33 -4.660 3.446 -1.417 250 HA SER 33 HA SER 33 -3.335 5.453 0.127 251 1HB SER 33 1HB SER 33 -5.217 3.171 0.755 252 2HB SER 33 2HB SER 33 -4.741 4.373 1.950 253 HG SER 33 HG SER 33 -5.738 5.936 0.844 254 H CYS 34 H CYS 34 -2.404 2.117 -0.440 255 HA CYS 34 HA CYS 34 -1.124 1.745 2.150 256 1HB CYS 34 1HB CYS 34 -1.011 0.429 -0.564 257 2HB CYS 34 2HB CYS 34 0.159 -0.001 0.685 258 H VAL 35 H VAL 35 0.170 2.430 -1.115 259 HA VAL 35 HA VAL 35 2.844 2.885 -0.629 260 HB VAL 35 HB VAL 35 0.727 4.034 -2.385 261 1HG1 VAL 35 1HG1 VAL 35 3.244 5.463 -1.715 262 2HG1 VAL 35 2HG1 VAL 35 1.705 6.098 -2.305 263 3HG1 VAL 35 3HG1 VAL 35 2.837 5.345 -3.428 264 1HG2 VAL 35 1HG2 VAL 35 1.718 2.120 -3.270 265 2HG2 VAL 35 2HG2 VAL 35 3.318 2.557 -2.675 266 3HG2 VAL 35 3HG2 VAL 35 2.635 3.401 -4.061 267 H ASP 36 H ASP 36 0.351 5.430 -0.322 268 HA ASP 36 HA ASP 36 1.965 7.490 0.686 269 1HB ASP 36 1HB ASP 36 -0.317 8.139 1.832 270 2HB ASP 36 2HB ASP 36 -0.188 8.104 0.077 271 H LEU 37 H LEU 37 -0.100 5.445 2.854 272 HA LEU 37 HA LEU 37 1.425 6.453 5.157 273 1HB LEU 37 1HB LEU 37 -1.002 4.779 4.650 274 2HB LEU 37 2HB LEU 37 -0.274 4.768 6.257 275 HG LEU 37 HG LEU 37 -0.776 7.392 4.884 276 1HD1 LEU 37 1HD1 LEU 37 -2.905 6.415 6.690 277 2HD1 LEU 37 2HD1 LEU 37 -2.838 5.617 5.119 278 3HD1 LEU 37 3HD1 LEU 37 -3.033 7.367 5.211 279 1HD2 LEU 37 1HD2 LEU 37 -0.645 6.379 7.735 280 2HD2 LEU 37 2HD2 LEU 37 -1.193 8.006 7.327 281 3HD2 LEU 37 3HD2 LEU 37 0.453 7.507 6.939 282 H LEU 38 H LEU 38 1.408 3.512 3.264 283 HA LEU 38 HA LEU 38 2.470 1.698 5.175 284 1HB LEU 38 1HB LEU 38 1.499 1.109 2.995 285 2HB LEU 38 2HB LEU 38 2.816 1.924 2.170 286 HG LEU 38 HG LEU 38 4.112 0.087 2.269 287 1HD1 LEU 38 1HD1 LEU 38 4.252 -1.239 4.542 288 2HD1 LEU 38 2HD1 LEU 38 3.470 0.190 5.205 289 3HD1 LEU 38 3HD1 LEU 38 5.031 0.334 4.400 290 1HD2 LEU 38 1HD2 LEU 38 2.381 -1.751 3.679 291 2HD2 LEU 38 2HD2 LEU 38 2.831 -1.724 1.979 292 3HD2 LEU 38 3HD2 LEU 38 1.459 -0.771 2.539 293 H PHE 39 H PHE 39 4.230 3.624 2.722 294 HA PHE 39 HA PHE 39 6.804 2.872 3.919 295 1HB PHE 39 1HB PHE 39 6.001 4.606 1.581 296 2HB PHE 39 2HB PHE 39 7.645 4.048 1.915 297 HD1 PHE 39 1HD PHE 39 8.263 1.711 1.581 298 HD2 PHE 39 2HD PHE 39 4.217 3.028 0.998 299 HE1 PHE 39 1HE PHE 39 7.700 -0.472 0.540 300 HE2 PHE 39 2HE PHE 39 3.660 0.857 -0.023 301 HZ PHE 39 HZ PHE 39 5.390 -0.898 -0.269 302 H VAL 40 H VAL 40 4.857 5.885 3.669 303 HA VAL 40 HA VAL 40 6.795 7.747 4.472 304 HB VAL 40 HB VAL 40 4.855 8.901 5.613 305 1HG1 VAL 40 1HG1 VAL 40 4.486 7.742 2.842 306 2HG1 VAL 40 2HG1 VAL 40 5.217 9.291 3.264 307 3HG1 VAL 40 3HG1 VAL 40 3.487 9.039 3.498 308 1HG2 VAL 40 1HG2 VAL 40 2.643 7.799 5.360 309 2HG2 VAL 40 2HG2 VAL 40 3.712 6.927 6.460 310 3HG2 VAL 40 3HG2 VAL 40 3.461 6.333 4.819 311 H ARG 41 H ARG 41 5.237 5.232 6.393 312 HA ARG 41 HA ARG 41 6.005 6.166 8.998 313 1HB ARG 41 1HB ARG 41 5.860 3.276 8.105 314 2HB ARG 41 2HB ARG 41 5.437 3.947 9.678 315 1HG ARG 41 1HG ARG 41 3.878 5.240 7.620 316 2HG ARG 41 2HG ARG 41 3.717 3.489 7.487 317 1HD ARG 41 1HD ARG 41 3.619 4.325 10.273 318 2HD ARG 41 2HD ARG 41 2.368 5.140 9.312 319 HE ARG 41 HE ARG 41 1.334 3.025 9.084 320 1HH1 ARG 41 1HH2 ARG 41 2.885 1.958 11.416 321 2HH1 ARG 41 2HH2 ARG 41 3.653 0.563 10.734 322 1HH2 ARG 41 1HH1 ARG 41 3.105 1.541 7.453 323 2HH2 ARG 41 2HH1 ARG 41 3.777 0.327 8.490 324 H GLY 42 H GLY 42 7.485 3.448 7.209 325 1HA GLY 42 1HA GLY 42 10.170 4.497 7.950 326 2HA GLY 42 2HA GLY 42 9.754 2.836 8.372 327 H ALA 43 H ALA 43 8.197 3.579 5.487 328 HA ALA 43 HA ALA 43 8.566 2.599 3.342 329 1HB ALA 43 1HB ALA 43 10.063 3.995 2.226 330 2HB ALA 43 2HB ALA 43 11.246 3.935 3.532 331 3HB ALA 43 3HB ALA 43 9.794 4.921 3.704 332 H GLY 44 H GLY 44 8.843 0.321 3.803 333 1HA GLY 44 1HA GLY 44 11.081 -0.985 2.923 334 2HA GLY 44 2HA GLY 44 11.471 -0.678 4.613 335 H ASN 45 H ASN 45 8.431 -0.901 5.146 336 HA ASN 45 HA ASN 45 8.479 -3.841 5.546 337 1HB ASN 45 1HB ASN 45 6.875 -1.503 6.582 338 2HB ASN 45 2HB ASN 45 6.379 -3.165 6.903 339 1HD2 ASN 45 1HD2 ASN 45 7.049 -3.651 9.006 340 2HD2 ASN 45 2HD2 ASN 45 8.580 -3.293 9.644 341 H CYS 46 H CYS 46 7.760 -4.894 3.699 342 HA CYS 46 HA CYS 46 5.965 -3.976 1.727 343 1HB CYS 46 1HB CYS 46 7.376 -5.983 1.596 344 2HB CYS 46 2HB CYS 46 6.434 -6.743 2.870 345 HA PRO 47 HA PRO 47 2.052 -3.771 3.718 346 1HB PRO 47 1HB PRO 47 0.469 -4.473 1.573 347 2HB PRO 47 2HB PRO 47 1.225 -2.887 1.773 348 1HG PRO 47 1HG PRO 47 2.222 -5.268 0.241 349 2HG PRO 47 2HG PRO 47 2.046 -3.595 -0.314 350 1HD PRO 47 1HD PRO 47 4.411 -4.476 0.471 351 2HD PRO 47 2HD PRO 47 3.868 -2.868 0.987 352 H GLU 48 H GLU 48 3.409 -6.698 2.556 353 HA GLU 48 HA GLU 48 1.403 -8.197 4.171 354 1HB GLU 48 1HB GLU 48 0.774 -9.596 2.417 355 2HB GLU 48 2HB GLU 48 0.947 -8.039 1.612 356 1HG GLU 48 1HG GLU 48 2.208 -9.289 0.171 357 2HG GLU 48 2HG GLU 48 3.471 -8.935 1.346 358 H CYS 49 H CYS 49 4.653 -8.335 2.607 359 HA CYS 49 HA CYS 49 5.235 -10.612 4.470 360 1HB CYS 49 1HB CYS 49 6.619 -11.526 2.823 361 2HB CYS 49 2HB CYS 49 5.337 -10.806 1.860 362 H GLY 50 H GLY 50 5.568 -7.437 4.521 363 1HA GLY 50 1HA GLY 50 7.248 -5.908 5.218 364 2HA GLY 50 2HA GLY 50 7.368 -7.089 6.519 365 H THR 51 H THR 51 8.407 -7.063 3.083 366 HA THR 51 HA THR 51 10.857 -8.505 3.708 367 HB THR 51 HB THR 51 9.759 -8.776 1.570 368 HG1 THR 51 1HG THR 51 11.615 -8.807 0.624 369 1HG2 THR 51 1HG2 THR 51 8.638 -7.058 0.656 370 2HG2 THR 51 2HG2 THR 51 10.168 -6.249 0.318 371 3HG2 THR 51 3HG2 THR 51 9.335 -5.959 1.846 372 HA PRO 52 HA PRO 52 13.456 -5.093 4.672 373 1HB PRO 52 1HB PRO 52 15.842 -5.978 3.637 374 2HB PRO 52 2HB PRO 52 15.136 -6.613 5.138 375 1HG PRO 52 1HG PRO 52 15.073 -7.740 2.369 376 2HG PRO 52 2HG PRO 52 15.328 -8.568 3.914 377 1HD PRO 52 1HD PRO 52 12.950 -8.582 2.598 378 2HD PRO 52 2HD PRO 52 13.069 -8.659 4.370 379 H LEU 53 H LEU 53 12.218 -3.775 3.036 380 HA LEU 53 HA LEU 53 13.194 -3.570 0.300 381 1HB LEU 53 1HB LEU 53 11.061 -2.610 2.003 382 2HB LEU 53 2HB LEU 53 11.728 -1.278 1.058 383 HG LEU 53 HG LEU 53 11.518 -3.541 -0.666 384 1HD1 LEU 53 1HD1 LEU 53 8.750 -2.973 0.097 385 2HD1 LEU 53 2HD1 LEU 53 9.651 -3.787 1.376 386 3HD1 LEU 53 3HD1 LEU 53 9.528 -4.523 -0.222 387 1HD2 LEU 53 1HD2 LEU 53 9.440 -1.628 -1.117 388 2HD2 LEU 53 2HD2 LEU 53 10.972 -1.790 -1.975 389 3HD2 LEU 53 3HD2 LEU 53 10.866 -0.759 -0.548 390 H ARG 54 H ARG 54 12.891 -0.837 2.534 391 HA ARG 54 HA ARG 54 14.470 0.797 3.211 392 1HB ARG 54 1HB ARG 54 15.938 -1.537 2.794 393 2HB ARG 54 2HB ARG 54 16.766 -0.340 1.798 394 1HG ARG 54 1HG ARG 54 16.112 0.925 4.261 395 2HG ARG 54 2HG ARG 54 16.823 -0.641 4.655 396 1HD ARG 54 1HD ARG 54 18.852 -0.122 3.564 397 2HD ARG 54 2HD ARG 54 18.105 1.162 2.593 398 HE ARG 54 HE ARG 54 18.910 1.365 5.436 399 1HH1 ARG 54 1HH1 ARG 54 16.545 2.462 3.246 400 2HH1 ARG 54 2HH1 ARG 54 16.722 4.136 3.655 401 1HH2 ARG 54 1HH2 ARG 54 19.426 3.610 5.761 402 2HH2 ARG 54 2HH2 ARG 54 18.353 4.786 5.078 403 H LYS 55 H LYS 55 13.423 0.120 0.169 404 HA LYS 55 HA LYS 55 14.823 2.518 -0.966 405 1HB LYS 55 1HB LYS 55 14.863 1.362 -3.101 406 2HB LYS 55 2HB LYS 55 15.540 0.282 -1.883 407 1HG LYS 55 1HG LYS 55 12.594 0.176 -2.484 408 2HG LYS 55 2HG LYS 55 13.733 -0.624 -3.567 409 1HD LYS 55 1HD LYS 55 14.621 -1.381 -1.057 410 2HD LYS 55 2HD LYS 55 12.867 -1.387 -0.871 411 1HE LYS 55 1HE LYS 55 13.231 -3.544 -1.716 412 2HE LYS 55 2HE LYS 55 12.980 -2.646 -3.226 413 1HZ LYS 55 1HZ LYS 55 15.258 -2.485 -3.588 414 2HZ LYS 55 2HZ LYS 55 15.105 -4.060 -2.971 415 3HZ LYS 55 3HZ LYS 55 15.651 -2.802 -1.968 416 H SER 56 H SER 56 11.820 0.853 -0.402 417 HA SER 56 HA SER 56 9.594 1.588 -0.715 418 1HB SER 56 1HB SER 56 9.366 3.861 -0.460 419 2HB SER 56 2HB SER 56 11.092 3.765 -0.123 420 HG SER 56 HG SER 56 11.462 4.842 -1.859 421 H ASN 57 H ASN 57 8.824 0.457 -2.496 422 HA ASN 57 HA ASN 57 9.070 1.779 -5.152 423 1HB ASN 57 1HB ASN 57 9.578 -0.619 -6.038 424 2HB ASN 57 2HB ASN 57 10.888 0.258 -5.246 425 1HD2 ASN 57 1HD2 ASN 57 11.710 -2.043 -4.860 426 2HD2 ASN 57 2HD2 ASN 57 11.141 -2.865 -3.491 427 H PHE 58 H PHE 58 7.060 1.785 -6.105 428 HA PHE 58 HA PHE 58 5.173 -0.436 -5.435 429 1HB PHE 58 1HB PHE 58 3.937 2.230 -5.736 430 2HB PHE 58 2HB PHE 58 3.623 0.983 -4.524 431 HD1 PHE 58 1HD PHE 58 5.355 4.090 -5.222 432 HD2 PHE 58 2HD PHE 58 5.167 0.696 -2.613 433 HE1 PHE 58 1HE PHE 58 6.613 5.350 -3.492 434 HE2 PHE 58 2HE PHE 58 6.407 1.944 -0.896 435 HZ PHE 58 HZ PHE 58 7.142 4.270 -1.320 436 H ARG 59 H ARG 59 4.516 -1.331 -7.305 437 HA ARG 59 HA ARG 59 4.537 0.318 -9.803 438 1HB ARG 59 1HB ARG 59 4.069 -2.381 -10.448 439 2HB ARG 59 2HB ARG 59 5.600 -1.530 -10.596 440 1HG ARG 59 1HG ARG 59 6.173 -2.184 -8.261 441 2HG ARG 59 2HG ARG 59 4.657 -3.082 -8.163 442 1HD ARG 59 1HD ARG 59 6.016 -4.817 -8.870 443 2HD ARG 59 2HD ARG 59 5.670 -4.122 -10.467 444 HE ARG 59 HE ARG 59 7.788 -2.768 -10.151 445 1HH1 ARG 59 1HH1 ARG 59 7.642 -6.026 -9.556 446 2HH1 ARG 59 2HH1 ARG 59 9.108 -6.124 -8.639 447 1HH2 ARG 59 1HH2 ARG 59 9.502 -2.687 -8.404 448 2HH2 ARG 59 2HH2 ARG 59 10.161 -4.233 -7.987 449 H VAL 60 H VAL 60 2.519 1.314 -9.723 450 HA VAL 60 HA VAL 60 0.124 -0.137 -8.873 451 HB VAL 60 HB VAL 60 0.631 2.224 -8.342 452 1HG1 VAL 60 1HG1 VAL 60 0.882 3.861 -9.964 453 2HG1 VAL 60 2HG1 VAL 60 -0.095 2.987 -11.144 454 3HG1 VAL 60 3HG1 VAL 60 1.562 2.479 -10.824 455 1HG2 VAL 60 1HG2 VAL 60 -1.675 3.010 -9.611 456 2HG2 VAL 60 2HG2 VAL 60 -1.628 2.091 -8.107 457 3HG2 VAL 60 3HG2 VAL 60 -1.830 1.255 -9.646 458 H GLN 61 H GLN 61 -1.636 -0.645 -10.085 459 HA GLN 61 HA GLN 61 -2.167 -0.043 -12.806 460 1HB GLN 61 1HB GLN 61 -1.407 -2.240 -13.787 461 2HB GLN 61 2HB GLN 61 -0.072 -1.228 -13.237 462 1HG GLN 61 1HG GLN 61 0.586 -2.830 -11.798 463 2HG GLN 61 2HG GLN 61 -1.010 -2.848 -11.047 464 1HE2 GLN 61 1HE2 GLN 61 -1.055 -5.201 -10.892 465 2HE2 GLN 61 2HE2 GLN 61 -1.216 -6.181 -12.269 466 H LEU 62 H LEU 62 -4.127 -1.192 -13.476 467 HA LEU 62 HA LEU 62 -5.197 -3.361 -11.814 468 1HB LEU 62 1HB LEU 62 -5.415 -0.883 -10.764 469 2HB LEU 62 2HB LEU 62 -6.869 -0.895 -11.759 470 HG LEU 62 HG LEU 62 -7.257 -3.255 -10.664 471 1HD1 LEU 62 1HD1 LEU 62 -6.085 -3.780 -8.769 472 2HD1 LEU 62 2HD1 LEU 62 -5.938 -2.093 -8.271 473 3HD1 LEU 62 3HD1 LEU 62 -4.857 -2.749 -9.500 474 1HD2 LEU 62 1HD2 LEU 62 -8.105 -0.628 -10.095 475 2HD2 LEU 62 2HD2 LEU 62 -7.751 -1.357 -8.528 476 3HD2 LEU 62 3HD2 LEU 62 -8.907 -2.124 -9.618 477 H PHE 63 H PHE 63 -6.059 -0.731 -14.082 478 HA PHE 63 HA PHE 63 -8.305 -2.085 -15.265 479 1HB PHE 63 1HB PHE 63 -7.829 0.354 -15.342 480 2HB PHE 63 2HB PHE 63 -6.431 0.035 -16.369 481 HD1 PHE 63 1HD PHE 63 -9.691 -1.749 -16.483 482 HD2 PHE 63 2HD PHE 63 -7.124 1.123 -18.383 483 HE1 PHE 63 1HE PHE 63 -11.161 -1.756 -18.480 484 HE2 PHE 63 2HE PHE 63 -8.594 1.116 -20.380 485 HZ PHE 63 HZ PHE 63 -10.612 -0.323 -20.429 486 H GLU 64 H GLU 64 -7.056 -4.261 -15.418 487 HA GLU 64 HA GLU 64 -5.261 -4.403 -17.792 488 1HB GLU 64 1HB GLU 64 -6.069 -6.569 -15.833 489 2HB GLU 64 2HB GLU 64 -4.647 -6.541 -16.877 490 1HG GLU 64 1HG GLU 64 -4.164 -4.277 -15.563 491 2HG GLU 64 2HG GLU 64 -5.176 -5.043 -14.338 492 H ASP 65 H ASP 65 -6.091 -7.302 -18.048 493 HA ASP 65 HA ASP 65 -7.474 -8.464 -19.587 494 1HB ASP 65 1HB ASP 65 -9.079 -7.064 -17.515 495 2HB ASP 65 2HB ASP 65 -9.987 -7.715 -18.881 Start of MODEL 14 1 1H MET 1 1HT MET 1 -10.113 -1.997 -8.255 2 2H MET 1 2HT MET 1 -10.577 -1.212 -9.689 3 3H MET 1 3HT MET 1 -10.379 -2.900 -9.666 4 HA MET 1 HA MET 1 -12.537 -1.297 -8.414 5 1HB MET 1 1HB MET 1 -13.881 -2.775 -9.853 6 2HB MET 1 2HB MET 1 -12.636 -1.971 -10.809 7 1HG MET 1 1HG MET 1 -11.754 -3.957 -11.396 8 2HG MET 1 2HG MET 1 -11.581 -4.417 -9.702 9 1HE MET 1 1HE MET 1 -13.116 -7.516 -11.111 10 2HE MET 1 2HE MET 1 -11.666 -6.516 -11.074 11 3HE MET 1 3HE MET 1 -12.732 -6.459 -12.477 12 H ASP 2 H ASP 2 -11.631 -2.038 -6.246 13 HA ASP 2 HA ASP 2 -11.477 -3.602 -4.461 14 1HB ASP 2 1HB ASP 2 -13.673 -4.413 -3.970 15 2HB ASP 2 2HB ASP 2 -13.909 -2.922 -4.878 16 H ASP 3 H ASP 3 -9.982 -4.586 -6.635 17 HA ASP 3 HA ASP 3 -10.840 -7.356 -7.175 18 1HB ASP 3 1HB ASP 3 -9.833 -6.045 -8.944 19 2HB ASP 3 2HB ASP 3 -8.438 -5.668 -7.932 20 H GLN 4 H GLN 4 -7.450 -6.705 -6.643 21 HA GLN 4 HA GLN 4 -6.841 -8.932 -5.117 22 1HB GLN 4 1HB GLN 4 -5.626 -6.523 -5.891 23 2HB GLN 4 2HB GLN 4 -5.446 -6.574 -4.137 24 1HG GLN 4 1HG GLN 4 -4.923 -9.159 -5.414 25 2HG GLN 4 2HG GLN 4 -3.823 -7.889 -5.952 26 1HE2 GLN 4 1HE2 GLN 4 -5.376 -8.345 -2.735 27 2HE2 GLN 4 2HE2 GLN 4 -3.915 -8.437 -1.875 28 H GLY 5 H GLY 5 -6.976 -5.781 -3.430 29 1HA GLY 5 1HA GLY 5 -8.890 -5.649 -1.695 30 2HA GLY 5 2HA GLY 5 -8.288 -7.213 -1.164 31 H CYS 6 H CYS 6 -7.428 -3.757 -1.432 32 HA CYS 6 HA CYS 6 -5.003 -3.323 -0.450 33 1HB CYS 6 1HB CYS 6 -6.402 -1.462 -0.436 34 2HB CYS 6 2HB CYS 6 -7.704 -2.319 0.343 35 HA PRO 7 HA PRO 7 -4.631 -5.699 3.330 36 1HB PRO 7 1HB PRO 7 -1.990 -5.152 3.736 37 2HB PRO 7 2HB PRO 7 -2.566 -6.285 2.499 38 1HG PRO 7 1HG PRO 7 -1.412 -3.608 2.204 39 2HG PRO 7 2HG PRO 7 -1.570 -4.901 1.011 40 1HD PRO 7 1HD PRO 7 -3.219 -2.561 1.355 41 2HD PRO 7 2HD PRO 7 -3.310 -3.810 0.099 42 H ARG 8 H ARG 8 -2.416 -2.917 3.653 43 HA ARG 8 HA ARG 8 -2.707 -2.482 6.405 44 1HB ARG 8 1HB ARG 8 -1.142 -1.507 4.501 45 2HB ARG 8 2HB ARG 8 -2.288 -0.171 4.566 46 1HG ARG 8 1HG ARG 8 -1.692 0.469 6.669 47 2HG ARG 8 2HG ARG 8 -1.205 -1.161 7.150 48 1HD ARG 8 1HD ARG 8 0.467 -0.303 4.976 49 2HD ARG 8 2HD ARG 8 0.464 0.956 6.225 50 HE ARG 8 HE ARG 8 0.898 -1.918 6.952 51 1HH1 ARG 8 1HH1 ARG 8 1.071 1.191 8.105 52 2HH1 ARG 8 2HH1 ARG 8 2.699 1.092 8.690 53 1HH2 ARG 8 1HH2 ARG 8 3.331 -1.970 7.191 54 2HH2 ARG 8 2HH2 ARG 8 3.977 -0.699 8.174 55 H CYS 9 H CYS 9 -4.507 -0.674 3.834 56 HA CYS 9 HA CYS 9 -6.329 0.209 6.040 57 1HB CYS 9 1HB CYS 9 -6.264 2.385 5.143 58 2HB CYS 9 2HB CYS 9 -4.608 1.822 5.013 59 H LYS 10 H LYS 10 -7.148 -2.054 4.921 60 HA LYS 10 HA LYS 10 -8.464 -2.163 2.476 61 1HB LYS 10 1HB LYS 10 -9.087 -4.152 3.348 62 2HB LYS 10 2HB LYS 10 -8.292 -3.649 4.834 63 1HG LYS 10 1HG LYS 10 -10.402 -2.700 5.667 64 2HG LYS 10 2HG LYS 10 -11.210 -3.148 4.162 65 1HD LYS 10 1HD LYS 10 -11.073 -5.449 4.638 66 2HD LYS 10 2HD LYS 10 -9.772 -5.226 5.808 67 1HE LYS 10 1HE LYS 10 -11.313 -4.190 7.392 68 2HE LYS 10 2HE LYS 10 -12.621 -4.229 6.193 69 1HZ LYS 10 1HZ LYS 10 -12.767 -6.504 6.309 70 2HZ LYS 10 2HZ LYS 10 -12.320 -6.170 7.914 71 3HZ LYS 10 3HZ LYS 10 -11.155 -6.704 6.799 72 H THR 11 H THR 11 -9.678 -0.538 1.658 73 HA THR 11 HA THR 11 -12.336 0.029 2.561 74 HB THR 11 HB THR 11 -10.875 1.041 4.426 75 HG1 THR 11 1HG THR 11 -13.053 1.758 3.716 76 1HG2 THR 11 1HG2 THR 11 -10.304 3.176 2.367 77 2HG2 THR 11 2HG2 THR 11 -9.173 1.860 2.664 78 3HG2 THR 11 3HG2 THR 11 -9.579 2.979 3.964 79 H THR 12 H THR 12 -9.432 1.140 1.025 80 HA THR 12 HA THR 12 -10.316 3.264 -0.536 81 HB THR 12 HB THR 12 -8.230 1.146 -1.004 82 HG1 THR 12 1HG THR 12 -8.306 3.606 0.395 83 1HG2 THR 12 1HG2 THR 12 -7.682 3.846 -1.893 84 2HG2 THR 12 2HG2 THR 12 -9.109 3.172 -2.678 85 3HG2 THR 12 3HG2 THR 12 -7.569 2.324 -2.773 86 H LYS 13 H LYS 13 -9.143 0.779 -2.631 87 HA LYS 13 HA LYS 13 -10.706 1.207 -4.785 88 1HB LYS 13 1HB LYS 13 -10.092 -0.971 -5.494 89 2HB LYS 13 2HB LYS 13 -8.848 -0.479 -4.357 90 1HG LYS 13 1HG LYS 13 -11.263 -2.037 -3.459 91 2HG LYS 13 2HG LYS 13 -9.818 -2.840 -4.077 92 1HD LYS 13 1HD LYS 13 -8.481 -1.526 -2.398 93 2HD LYS 13 2HD LYS 13 -10.011 -0.980 -1.697 94 1HE LYS 13 1HE LYS 13 -9.183 -3.888 -2.020 95 2HE LYS 13 2HE LYS 13 -9.160 -2.984 -0.497 96 1HZ LYS 13 1HZ LYS 13 -11.515 -2.532 -0.788 97 2HZ LYS 13 2HZ LYS 13 -11.237 -4.206 -0.771 98 3HZ LYS 13 3HZ LYS 13 -11.531 -3.406 -2.240 99 H TYR 14 H TYR 14 -11.871 -0.624 -1.932 100 HA TYR 14 HA TYR 14 -14.351 -1.456 -3.126 101 1HB TYR 14 1HB TYR 14 -13.073 -1.585 -0.621 102 2HB TYR 14 2HB TYR 14 -14.563 -0.699 -0.326 103 HD1 TYR 14 1HD TYR 14 -13.124 -3.931 -0.790 104 HD2 TYR 14 2HD TYR 14 -16.745 -1.688 -1.338 105 HE1 TYR 14 1HE TYR 14 -14.413 -6.044 -0.909 106 HE2 TYR 14 2HE TYR 14 -18.036 -3.802 -1.455 107 HH TYR 14 HH TYR 14 -16.602 -6.808 -1.899 108 H ARG 15 H ARG 15 -13.455 1.376 -1.192 109 HA ARG 15 HA ARG 15 -15.908 2.855 -1.960 110 1HB ARG 15 1HB ARG 15 -13.531 3.230 -0.146 111 2HB ARG 15 2HB ARG 15 -14.562 4.595 -0.528 112 1HG ARG 15 1HG ARG 15 -16.064 3.882 1.004 113 2HG ARG 15 2HG ARG 15 -16.226 2.353 0.138 114 1HD ARG 15 1HD ARG 15 -13.829 2.799 1.908 115 2HD ARG 15 2HD ARG 15 -15.377 2.320 2.631 116 HE ARG 15 HE ARG 15 -13.965 0.764 0.479 117 1HH1 ARG 15 1HH2 ARG 15 -14.067 0.026 3.482 118 2HH1 ARG 15 2HH2 ARG 15 -15.282 -1.207 3.462 119 1HH2 ARG 15 1HH1 ARG 15 -16.439 -0.385 0.297 120 2HH2 ARG 15 2HH1 ARG 15 -16.626 -1.439 1.658 121 H ASN 16 H ASN 16 -12.537 3.874 -1.756 122 HA ASN 16 HA ASN 16 -12.447 5.876 -3.680 123 1HB ASN 16 1HB ASN 16 -10.668 4.103 -2.231 124 2HB ASN 16 2HB ASN 16 -10.025 4.442 -3.838 125 1HD2 ASN 16 1HD2 ASN 16 -8.316 5.727 -2.776 126 2HD2 ASN 16 2HD2 ASN 16 -8.655 7.297 -2.219 127 HA PRO 17 HA PRO 17 -12.930 3.111 -7.231 128 1HB PRO 17 1HB PRO 17 -14.542 4.797 -8.666 129 2HB PRO 17 2HB PRO 17 -15.160 3.715 -7.402 130 1HG PRO 17 1HG PRO 17 -14.845 6.629 -7.394 131 2HG PRO 17 2HG PRO 17 -15.844 5.602 -6.358 132 1HD PRO 17 1HD PRO 17 -13.279 6.791 -5.779 133 2HD PRO 17 2HD PRO 17 -14.320 5.831 -4.706 134 H SER 18 H SER 18 -10.891 5.399 -6.624 135 HA SER 18 HA SER 18 -10.206 5.947 -9.492 136 1HB SER 18 1HB SER 18 -9.661 7.918 -7.292 137 2HB SER 18 2HB SER 18 -9.926 8.216 -9.008 138 HG SER 18 HG SER 18 -11.741 8.793 -7.735 139 H LEU 19 H LEU 19 -9.074 3.834 -7.846 140 HA LEU 19 HA LEU 19 -6.243 4.641 -8.023 141 1HB LEU 19 1HB LEU 19 -5.718 4.264 -5.732 142 2HB LEU 19 2HB LEU 19 -7.161 5.271 -5.718 143 HG LEU 19 HG LEU 19 -7.569 3.581 -4.117 144 1HD1 LEU 19 1HD1 LEU 19 -9.519 2.557 -4.905 145 2HD1 LEU 19 2HD1 LEU 19 -8.880 2.386 -6.538 146 3HD1 LEU 19 3HD1 LEU 19 -9.347 3.976 -5.932 147 1HD2 LEU 19 1HD2 LEU 19 -5.708 2.065 -5.298 148 2HD2 LEU 19 2HD2 LEU 19 -7.147 1.264 -5.920 149 3HD2 LEU 19 3HD2 LEU 19 -6.894 1.397 -4.184 150 H LYS 20 H LYS 20 -4.942 2.601 -7.029 151 HA LYS 20 HA LYS 20 -6.294 0.050 -7.609 152 1HB LYS 20 1HB LYS 20 -4.243 -0.377 -9.242 153 2HB LYS 20 2HB LYS 20 -5.668 0.485 -9.819 154 1HG LYS 20 1HG LYS 20 -3.552 2.131 -8.536 155 2HG LYS 20 2HG LYS 20 -3.177 1.456 -10.124 156 1HD LYS 20 1HD LYS 20 -5.749 2.362 -10.482 157 2HD LYS 20 2HD LYS 20 -5.094 3.569 -9.376 158 1HE LYS 20 1HE LYS 20 -3.178 2.909 -11.476 159 2HE LYS 20 2HE LYS 20 -4.710 3.508 -12.145 160 1HZ LYS 20 1HZ LYS 20 -4.622 5.339 -10.557 161 2HZ LYS 20 2HZ LYS 20 -3.231 5.339 -11.533 162 3HZ LYS 20 3HZ LYS 20 -3.152 4.762 -9.936 163 H LEU 21 H LEU 21 -3.969 -1.526 -7.777 164 HA LEU 21 HA LEU 21 -2.771 -1.031 -5.078 165 1HB LEU 21 1HB LEU 21 -3.616 -3.471 -6.636 166 2HB LEU 21 2HB LEU 21 -2.468 -3.615 -5.307 167 HG LEU 21 HG LEU 21 -4.056 -2.815 -3.717 168 1HD1 LEU 21 1HD1 LEU 21 -5.087 -0.949 -4.761 169 2HD1 LEU 21 2HD1 LEU 21 -6.395 -2.116 -4.601 170 3HD1 LEU 21 3HD1 LEU 21 -5.592 -1.905 -6.155 171 1HD2 LEU 21 1HD2 LEU 21 -4.556 -5.062 -5.292 172 2HD2 LEU 21 2HD2 LEU 21 -6.117 -4.248 -5.189 173 3HD2 LEU 21 3HD2 LEU 21 -5.267 -4.714 -3.716 174 H MET 22 H MET 22 -0.527 -0.884 -4.975 175 HA MET 22 HA MET 22 0.917 -1.354 -7.516 176 1HB MET 22 1HB MET 22 2.304 0.026 -5.332 177 2HB MET 22 2HB MET 22 2.125 0.510 -7.005 178 1HG MET 22 1HG MET 22 -0.176 1.291 -6.529 179 2HG MET 22 2HG MET 22 0.005 0.805 -4.849 180 1HE MET 22 1HE MET 22 3.407 3.500 -6.137 181 2HE MET 22 2HE MET 22 2.485 2.668 -7.387 182 3HE MET 22 3HE MET 22 3.273 1.739 -6.117 183 H VAL 23 H VAL 23 2.285 -3.025 -7.658 184 HA VAL 23 HA VAL 23 2.713 -4.759 -5.312 185 HB VAL 23 HB VAL 23 3.164 -4.842 -8.286 186 1HG1 VAL 23 1HG1 VAL 23 4.115 -6.889 -6.265 187 2HG1 VAL 23 2HG1 VAL 23 5.143 -5.901 -7.301 188 3HG1 VAL 23 3HG1 VAL 23 4.093 -7.127 -8.010 189 1HG2 VAL 23 1HG2 VAL 23 1.467 -6.446 -8.281 190 2HG2 VAL 23 2HG2 VAL 23 0.952 -5.374 -6.979 191 3HG2 VAL 23 3HG2 VAL 23 1.761 -6.895 -6.602 192 H ASN 24 H ASN 24 5.064 -5.714 -5.164 193 HA ASN 24 HA ASN 24 7.181 -3.792 -5.895 194 1HB ASN 24 1HB ASN 24 7.789 -3.704 -3.380 195 2HB ASN 24 2HB ASN 24 6.435 -2.719 -3.932 196 1HD2 ASN 24 1HD2 ASN 24 5.489 -2.846 -1.725 197 2HD2 ASN 24 2HD2 ASN 24 4.717 -4.266 -1.205 198 H VAL 25 H VAL 25 8.886 -4.989 -6.456 199 HA VAL 25 HA VAL 25 10.128 -6.998 -6.807 200 HB VAL 25 HB VAL 25 11.545 -5.822 -5.421 201 1HG1 VAL 25 1HG1 VAL 25 10.082 -4.555 -4.091 202 2HG1 VAL 25 2HG1 VAL 25 10.959 -5.530 -2.913 203 3HG1 VAL 25 3HG1 VAL 25 9.325 -5.984 -3.392 204 1HG2 VAL 25 1HG2 VAL 25 11.176 -7.783 -3.258 205 2HG2 VAL 25 2HG2 VAL 25 12.603 -7.432 -4.232 206 3HG2 VAL 25 3HG2 VAL 25 11.343 -8.493 -4.863 207 H CYS 26 H CYS 26 9.317 -7.807 -3.423 208 HA CYS 26 HA CYS 26 8.919 -10.579 -4.085 209 1HB CYS 26 1HB CYS 26 8.169 -10.661 -1.702 210 2HB CYS 26 2HB CYS 26 9.684 -9.799 -1.938 211 H GLY 27 H GLY 27 7.311 -9.665 -5.854 212 1HA GLY 27 1HA GLY 27 5.075 -9.347 -6.599 213 2HA GLY 27 2HA GLY 27 4.877 -10.860 -5.717 214 H HIS 28 H HIS 28 3.401 -10.821 -4.112 215 HA HIS 28 HA HIS 28 1.754 -9.932 -2.666 216 1HB HIS 28 1HB HIS 28 4.244 -8.303 -2.098 217 2HB HIS 28 2HB HIS 28 2.842 -8.355 -1.026 218 HD2 HIS 28 2HD HIS 28 2.307 -11.655 -1.556 219 HE1 HIS 28 1HE HIS 28 6.100 -12.125 0.210 220 HE2 HIS 28 2HE HIS 28 3.971 -13.321 -0.451 221 H THR 29 H THR 29 1.593 -7.104 -1.810 222 HA THR 29 HA THR 29 1.497 -5.347 -4.074 223 HB THR 29 HB THR 29 -0.576 -7.392 -3.752 224 HG1 THR 29 1HG THR 29 -0.751 -7.018 -5.927 225 1HG2 THR 29 1HG2 THR 29 -2.015 -5.663 -2.910 226 2HG2 THR 29 2HG2 THR 29 -2.399 -5.806 -4.624 227 3HG2 THR 29 3HG2 THR 29 -1.385 -4.481 -4.055 228 H LEU 30 H LEU 30 0.165 -3.399 -3.641 229 HA LEU 30 HA LEU 30 -0.835 -3.084 -0.880 230 1HB LEU 30 1HB LEU 30 1.724 -2.654 -1.167 231 2HB LEU 30 2HB LEU 30 1.239 -1.174 -1.949 232 HG LEU 30 HG LEU 30 0.539 -0.232 -0.002 233 1HD1 LEU 30 1HD1 LEU 30 -0.206 -3.031 0.884 234 2HD1 LEU 30 2HD1 LEU 30 -1.279 -1.670 0.592 235 3HD1 LEU 30 3HD1 LEU 30 -0.221 -1.669 2.002 236 1HD2 LEU 30 1HD2 LEU 30 1.950 -1.827 1.857 237 2HD2 LEU 30 2HD2 LEU 30 2.510 -0.365 1.045 238 3HD2 LEU 30 3HD2 LEU 30 2.814 -1.944 0.324 239 H CYS 31 H CYS 31 -2.785 -2.130 -1.231 240 HA CYS 31 HA CYS 31 -3.723 -0.945 -3.560 241 1HB CYS 31 1HB CYS 31 -5.552 -0.714 -2.261 242 2HB CYS 31 2HB CYS 31 -4.599 -1.461 -1.012 243 H GLU 32 H GLU 32 -4.389 1.553 -3.645 244 HA GLU 32 HA GLU 32 -1.822 2.990 -3.671 245 1HB GLU 32 1HB GLU 32 -2.921 4.218 -5.224 246 2HB GLU 32 2HB GLU 32 -4.309 3.172 -4.981 247 1HG GLU 32 1HG GLU 32 -3.813 5.575 -3.218 248 2HG GLU 32 2HG GLU 32 -4.702 5.700 -4.733 249 H SER 33 H SER 33 -4.782 3.048 -1.717 250 HA SER 33 HA SER 33 -4.106 5.289 -0.078 251 1HB SER 33 1HB SER 33 -5.819 2.796 0.375 252 2HB SER 33 2HB SER 33 -5.741 4.151 1.507 253 HG SER 33 HG SER 33 -6.725 5.440 0.130 254 H CYS 34 H CYS 34 -2.694 2.115 -0.257 255 HA CYS 34 HA CYS 34 -1.770 2.219 2.560 256 1HB CYS 34 1HB CYS 34 -1.515 0.316 0.235 257 2HB CYS 34 2HB CYS 34 -0.429 0.209 1.621 258 H VAL 35 H VAL 35 -0.280 2.204 -0.690 259 HA VAL 35 HA VAL 35 2.382 2.619 -0.043 260 HB VAL 35 HB VAL 35 0.529 3.407 -2.247 261 1HG1 VAL 35 1HG1 VAL 35 2.800 4.352 -3.320 262 2HG1 VAL 35 2HG1 VAL 35 3.066 4.832 -1.645 263 3HG1 VAL 35 3HG1 VAL 35 1.637 5.399 -2.508 264 1HG2 VAL 35 1HG2 VAL 35 1.436 1.540 -3.065 265 2HG2 VAL 35 2HG2 VAL 35 2.541 1.453 -1.697 266 3HG2 VAL 35 3HG2 VAL 35 2.997 2.354 -3.142 267 H ASP 36 H ASP 36 -0.311 4.761 0.494 268 HA ASP 36 HA ASP 36 1.253 7.189 0.863 269 1HB ASP 36 1HB ASP 36 -0.840 8.065 0.756 270 2HB ASP 36 2HB ASP 36 -1.404 6.428 0.452 271 H LEU 37 H LEU 37 -0.471 4.987 3.184 272 HA LEU 37 HA LEU 37 0.877 6.331 5.438 273 1HB LEU 37 1HB LEU 37 -1.222 4.227 5.018 274 2HB LEU 37 2HB LEU 37 -0.476 4.397 6.608 275 HG LEU 37 HG LEU 37 -1.289 6.947 5.367 276 1HD1 LEU 37 1HD1 LEU 37 -3.272 4.759 5.980 277 2HD1 LEU 37 2HD1 LEU 37 -3.203 5.813 4.569 278 3HD1 LEU 37 3HD1 LEU 37 -3.718 6.458 6.128 279 1HD2 LEU 37 1HD2 LEU 37 -0.588 7.031 7.624 280 2HD2 LEU 37 2HD2 LEU 37 -1.492 5.577 8.049 281 3HD2 LEU 37 3HD2 LEU 37 -2.348 7.086 7.734 282 H LEU 38 H LEU 38 1.343 3.511 3.482 283 HA LEU 38 HA LEU 38 2.823 1.884 5.331 284 1HB LEU 38 1HB LEU 38 1.736 1.391 3.028 285 2HB LEU 38 2HB LEU 38 3.207 2.062 2.335 286 HG LEU 38 HG LEU 38 3.760 -0.190 2.414 287 1HD1 LEU 38 1HD1 LEU 38 4.510 0.790 5.187 288 2HD1 LEU 38 2HD1 LEU 38 5.454 1.026 3.717 289 3HD1 LEU 38 3HD1 LEU 38 5.229 -0.596 4.367 290 1HD2 LEU 38 1HD2 LEU 38 2.988 -1.754 4.089 291 2HD2 LEU 38 2HD2 LEU 38 1.607 -0.792 3.565 292 3HD2 LEU 38 3HD2 LEU 38 2.392 -0.441 5.105 293 H PHE 39 H PHE 39 3.807 4.281 2.901 294 HA PHE 39 HA PHE 39 6.643 4.004 3.619 295 1HB PHE 39 1HB PHE 39 5.326 5.939 1.721 296 2HB PHE 39 2HB PHE 39 6.971 5.300 1.644 297 HD1 PHE 39 1HD PHE 39 4.954 5.124 -0.636 298 HD2 PHE 39 2HD PHE 39 5.844 2.446 2.600 299 HE1 PHE 39 1HE PHE 39 4.125 3.213 -1.972 300 HE2 PHE 39 2HE PHE 39 5.004 0.542 1.268 301 HZ PHE 39 HZ PHE 39 4.141 0.922 -1.015 302 H VAL 40 H VAL 40 4.195 6.629 3.725 303 HA VAL 40 HA VAL 40 5.819 8.703 4.681 304 HB VAL 40 HB VAL 40 3.715 9.518 5.742 305 1HG1 VAL 40 1HG1 VAL 40 3.609 8.257 3.009 306 2HG1 VAL 40 2HG1 VAL 40 3.855 9.954 3.423 307 3HG1 VAL 40 3HG1 VAL 40 2.268 9.214 3.639 308 1HG2 VAL 40 1HG2 VAL 40 1.707 7.987 5.447 309 2HG2 VAL 40 2HG2 VAL 40 2.836 7.536 6.723 310 3HG2 VAL 40 3HG2 VAL 40 2.861 6.680 5.180 311 H ARG 41 H ARG 41 4.890 5.763 6.302 312 HA ARG 41 HA ARG 41 5.664 6.788 8.968 313 1HB ARG 41 1HB ARG 41 4.906 3.990 8.096 314 2HB ARG 41 2HB ARG 41 4.797 4.675 9.718 315 1HG ARG 41 1HG ARG 41 3.284 5.856 7.380 316 2HG ARG 41 2HG ARG 41 2.616 4.548 8.356 317 1HD ARG 41 1HD ARG 41 3.726 6.922 9.809 318 2HD ARG 41 2HD ARG 41 2.155 7.098 9.002 319 HE ARG 41 HE ARG 41 1.282 5.686 10.688 320 1HH1 ARG 41 1HH2 ARG 41 3.862 6.121 12.269 321 2HH1 ARG 41 2HH2 ARG 41 4.328 4.485 12.596 322 1HH2 ARG 41 1HH1 ARG 41 2.217 3.126 10.204 323 2HH2 ARG 41 2HH1 ARG 41 3.397 2.789 11.426 324 H GLY 42 H GLY 42 7.012 4.819 6.358 325 1HA GLY 42 1HA GLY 42 9.648 4.954 7.576 326 2HA GLY 42 2HA GLY 42 8.967 3.331 7.658 327 H ALA 43 H ALA 43 7.587 3.384 5.120 328 HA ALA 43 HA ALA 43 8.038 3.099 2.789 329 1HB ALA 43 1HB ALA 43 9.523 5.316 3.687 330 2HB ALA 43 2HB ALA 43 9.178 4.890 2.010 331 3HB ALA 43 3HB ALA 43 10.667 4.332 2.774 332 H GLY 44 H GLY 44 8.660 1.128 2.066 333 1HA GLY 44 1HA GLY 44 10.372 -0.470 1.443 334 2HA GLY 44 2HA GLY 44 11.372 0.130 2.767 335 H ASN 45 H ASN 45 7.956 -0.935 2.746 336 HA ASN 45 HA ASN 45 8.674 -3.300 4.391 337 1HB ASN 45 1HB ASN 45 6.705 -1.210 5.352 338 2HB ASN 45 2HB ASN 45 7.374 -2.561 6.268 339 1HD2 ASN 45 1HD2 ASN 45 9.547 -2.337 7.113 340 2HD2 ASN 45 2HD2 ASN 45 10.381 -0.859 7.077 341 H CYS 46 H CYS 46 7.600 -4.856 3.224 342 HA CYS 46 HA CYS 46 5.368 -4.533 1.524 343 1HB CYS 46 1HB CYS 46 7.044 -6.538 2.153 344 2HB CYS 46 2HB CYS 46 5.669 -7.021 3.139 345 HA PRO 47 HA PRO 47 2.049 -3.944 4.371 346 1HB PRO 47 1HB PRO 47 0.012 -4.709 2.705 347 2HB PRO 47 2HB PRO 47 0.848 -3.158 2.568 348 1HG PRO 47 1HG PRO 47 1.267 -5.683 1.024 349 2HG PRO 47 2HG PRO 47 1.184 -4.017 0.433 350 1HD PRO 47 1HD PRO 47 3.512 -5.310 0.807 351 2HD PRO 47 2HD PRO 47 3.353 -3.562 1.052 352 H GLU 48 H GLU 48 3.144 -6.894 3.123 353 HA GLU 48 HA GLU 48 1.437 -8.391 5.070 354 1HB GLU 48 1HB GLU 48 0.903 -10.005 3.432 355 2HB GLU 48 2HB GLU 48 0.749 -8.468 2.587 356 1HG GLU 48 1HG GLU 48 3.001 -8.748 1.631 357 2HG GLU 48 2HG GLU 48 3.198 -10.263 2.515 358 H CYS 49 H CYS 49 4.406 -8.616 3.022 359 HA CYS 49 HA CYS 49 5.498 -10.498 5.080 360 1HB CYS 49 1HB CYS 49 6.484 -11.623 3.341 361 2HB CYS 49 2HB CYS 49 5.228 -10.827 2.402 362 H GLY 50 H GLY 50 5.465 -7.428 5.079 363 1HA GLY 50 1HA GLY 50 6.973 -5.663 5.483 364 2HA GLY 50 2HA GLY 50 7.822 -6.886 6.428 365 H THR 51 H THR 51 9.617 -7.934 5.479 366 HA THR 51 HA THR 51 11.526 -8.089 4.103 367 HB THR 51 HB THR 51 9.251 -7.468 2.212 368 HG1 THR 51 1HG THR 51 9.691 -9.546 3.379 369 1HG2 THR 51 1HG2 THR 51 12.069 -8.207 1.387 370 2HG2 THR 51 2HG2 THR 51 11.425 -6.568 1.297 371 3HG2 THR 51 3HG2 THR 51 10.706 -7.852 0.327 372 HA PRO 52 HA PRO 52 12.986 -3.931 3.986 373 1HB PRO 52 1HB PRO 52 15.425 -4.405 2.829 374 2HB PRO 52 2HB PRO 52 15.067 -4.787 4.525 375 1HG PRO 52 1HG PRO 52 15.180 -6.572 2.143 376 2HG PRO 52 2HG PRO 52 15.687 -6.882 3.810 377 1HD PRO 52 1HD PRO 52 13.336 -7.785 2.695 378 2HD PRO 52 2HD PRO 52 13.593 -7.549 4.436 379 H LEU 53 H LEU 53 11.285 -3.448 2.283 380 HA LEU 53 HA LEU 53 11.791 -3.832 -0.519 381 1HB LEU 53 1HB LEU 53 9.984 -2.271 1.267 382 2HB LEU 53 2HB LEU 53 10.094 -1.742 -0.414 383 HG LEU 53 HG LEU 53 8.289 -3.501 0.135 384 1HD1 LEU 53 1HD1 LEU 53 10.390 -4.030 -1.973 385 2HD1 LEU 53 2HD1 LEU 53 8.958 -3.018 -2.143 386 3HD1 LEU 53 3HD1 LEU 53 8.786 -4.764 -1.958 387 1HD2 LEU 53 1HD2 LEU 53 8.929 -5.724 0.544 388 2HD2 LEU 53 2HD2 LEU 53 10.072 -4.813 1.530 389 3HD2 LEU 53 3HD2 LEU 53 10.573 -5.456 -0.033 390 H ARG 54 H ARG 54 14.229 -3.009 0.128 391 HA ARG 54 HA ARG 54 15.861 -1.296 -0.064 392 1HB ARG 54 1HB ARG 54 13.875 -1.132 -2.298 393 2HB ARG 54 2HB ARG 54 15.125 0.111 -2.205 394 1HG ARG 54 1HG ARG 54 16.629 -1.325 -3.068 395 2HG ARG 54 2HG ARG 54 16.343 -2.442 -1.733 396 1HD ARG 54 1HD ARG 54 14.271 -2.369 -3.883 397 2HD ARG 54 2HD ARG 54 15.825 -3.128 -4.283 398 HE ARG 54 HE ARG 54 13.846 -4.220 -2.490 399 1HH1 ARG 54 1HH2 ARG 54 16.958 -4.575 -3.694 400 2HH1 ARG 54 2HH2 ARG 54 17.541 -5.557 -2.391 401 1HH2 ARG 54 1HH1 ARG 54 14.704 -5.126 -0.445 402 2HH2 ARG 54 2HH1 ARG 54 16.264 -5.870 -0.553 403 H LYS 55 H LYS 55 13.442 0.857 -1.369 404 HA LYS 55 HA LYS 55 13.278 2.347 1.209 405 1HB LYS 55 1HB LYS 55 13.767 4.423 -0.283 406 2HB LYS 55 2HB LYS 55 15.122 3.397 0.181 407 1HG LYS 55 1HG LYS 55 15.352 3.806 -2.172 408 2HG LYS 55 2HG LYS 55 14.777 2.149 -2.013 409 1HD LYS 55 1HD LYS 55 13.572 3.503 -3.770 410 2HD LYS 55 2HD LYS 55 12.512 2.820 -2.538 411 1HE LYS 55 1HE LYS 55 12.110 5.294 -3.115 412 2HE LYS 55 2HE LYS 55 12.355 4.946 -1.392 413 1HZ LYS 55 1HZ LYS 55 13.767 6.786 -2.505 414 2HZ LYS 55 2HZ LYS 55 14.649 5.496 -3.174 415 3HZ LYS 55 3HZ LYS 55 14.545 5.674 -1.488 416 H SER 56 H SER 56 11.629 0.972 -1.281 417 HA SER 56 HA SER 56 9.101 1.947 -0.700 418 1HB SER 56 1HB SER 56 10.769 3.793 -2.304 419 2HB SER 56 2HB SER 56 9.132 3.554 -2.911 420 HG SER 56 HG SER 56 9.933 4.977 -0.796 421 H ASN 57 H ASN 57 10.118 2.330 -4.027 422 HA ASN 57 HA ASN 57 9.411 1.213 -5.967 423 1HB ASN 57 1HB ASN 57 10.031 -1.366 -5.648 424 2HB ASN 57 2HB ASN 57 11.274 -0.121 -5.745 425 1HD2 ASN 57 1HD2 ASN 57 9.935 -2.591 -3.756 426 2HD2 ASN 57 2HD2 ASN 57 10.865 -2.273 -2.368 427 H PHE 58 H PHE 58 7.159 1.498 -5.986 428 HA PHE 58 HA PHE 58 5.582 -0.955 -5.318 429 1HB PHE 58 1HB PHE 58 4.590 1.888 -4.848 430 2HB PHE 58 2HB PHE 58 3.824 0.402 -4.309 431 HD1 PHE 58 1HD PHE 58 5.023 -1.105 -2.710 432 HD2 PHE 58 2HD PHE 58 6.261 2.927 -3.495 433 HE1 PHE 58 1HE PHE 58 6.317 -1.106 -0.606 434 HE2 PHE 58 2HE PHE 58 7.577 2.927 -1.395 435 HZ PHE 58 HZ PHE 58 7.618 0.908 0.049 436 H ARG 59 H ARG 59 4.996 -1.640 -7.326 437 HA ARG 59 HA ARG 59 4.592 0.327 -9.509 438 1HB ARG 59 1HB ARG 59 4.298 -1.963 -10.774 439 2HB ARG 59 2HB ARG 59 5.894 -1.468 -10.226 440 1HG ARG 59 1HG ARG 59 5.838 -2.944 -8.363 441 2HG ARG 59 2HG ARG 59 4.093 -3.181 -8.509 442 1HD ARG 59 1HD ARG 59 4.754 -5.118 -9.581 443 2HD ARG 59 2HD ARG 59 4.916 -4.030 -10.975 444 HE ARG 59 HE ARG 59 7.109 -5.230 -9.492 445 1HH1 ARG 59 1HH2 ARG 59 7.477 -2.283 -9.031 446 2HH1 ARG 59 2HH2 ARG 59 8.441 -1.826 -10.396 447 1HH2 ARG 59 1HH1 ARG 59 7.742 -4.708 -12.194 448 2HH2 ARG 59 2HH1 ARG 59 8.590 -3.197 -12.186 449 H VAL 60 H VAL 60 2.608 1.242 -9.348 450 HA VAL 60 HA VAL 60 0.212 -0.259 -8.550 451 HB VAL 60 HB VAL 60 0.809 2.080 -7.881 452 1HG1 VAL 60 1HG1 VAL 60 0.497 3.864 -9.542 453 2HG1 VAL 60 2HG1 VAL 60 0.138 2.665 -10.784 454 3HG1 VAL 60 3HG1 VAL 60 1.752 2.748 -10.079 455 1HG2 VAL 60 1HG2 VAL 60 -1.702 1.031 -8.749 456 2HG2 VAL 60 2HG2 VAL 60 -1.643 2.730 -9.216 457 3HG2 VAL 60 3HG2 VAL 60 -1.408 2.270 -7.529 458 H GLN 61 H GLN 61 -1.381 -0.975 -9.864 459 HA GLN 61 HA GLN 61 -1.728 -0.051 -12.621 460 1HB GLN 61 1HB GLN 61 -1.011 -2.078 -13.682 461 2HB GLN 61 2HB GLN 61 0.269 -1.673 -12.537 462 1HG GLN 61 1HG GLN 61 -1.511 -3.179 -11.019 463 2HG GLN 61 2HG GLN 61 -1.521 -3.989 -12.585 464 1HE2 GLN 61 1HE2 GLN 61 -0.374 -5.425 -10.535 465 2HE2 GLN 61 2HE2 GLN 61 1.319 -5.432 -10.672 466 H LEU 62 H LEU 62 -3.552 -1.436 -13.661 467 HA LEU 62 HA LEU 62 -5.183 -3.238 -12.184 468 1HB LEU 62 1HB LEU 62 -5.150 -0.691 -11.086 469 2HB LEU 62 2HB LEU 62 -6.632 -0.692 -12.036 470 HG LEU 62 HG LEU 62 -7.221 -2.895 -10.927 471 1HD1 LEU 62 1HD1 LEU 62 -4.893 -2.113 -9.156 472 2HD1 LEU 62 2HD1 LEU 62 -4.951 -3.519 -10.213 473 3HD1 LEU 62 3HD1 LEU 62 -6.025 -3.416 -8.817 474 1HD2 LEU 62 1HD2 LEU 62 -7.363 -0.225 -9.909 475 2HD2 LEU 62 2HD2 LEU 62 -7.085 -1.310 -8.547 476 3HD2 LEU 62 3HD2 LEU 62 -8.471 -1.563 -9.605 477 H PHE 63 H PHE 63 -6.203 -0.225 -13.812 478 HA PHE 63 HA PHE 63 -7.982 -1.651 -15.614 479 1HB PHE 63 1HB PHE 63 -8.134 0.720 -14.620 480 2HB PHE 63 2HB PHE 63 -6.968 1.188 -15.857 481 HD1 PHE 63 1HD PHE 63 -7.901 2.130 -17.763 482 HD2 PHE 63 2HD PHE 63 -10.065 -0.941 -15.681 483 HE1 PHE 63 1HE PHE 63 -9.733 2.294 -19.426 484 HE2 PHE 63 2HE PHE 63 -11.898 -0.777 -17.345 485 HZ PHE 63 HZ PHE 63 -11.732 0.840 -19.218 486 H GLU 64 H GLU 64 -7.789 -1.200 -18.061 487 HA GLU 64 HA GLU 64 -6.597 -1.613 -20.059 488 1HB GLU 64 1HB GLU 64 -5.873 0.655 -19.600 489 2HB GLU 64 2HB GLU 64 -4.683 0.084 -18.428 490 1HG GLU 64 1HG GLU 64 -3.489 -1.108 -20.239 491 2HG GLU 64 2HG GLU 64 -4.674 -0.515 -21.404 492 H ASP 65 H ASP 65 -3.637 -1.469 -18.166 493 HA ASP 65 HA ASP 65 -3.255 -4.404 -18.661 494 1HB ASP 65 1HB ASP 65 -0.789 -3.661 -18.596 495 2HB ASP 65 2HB ASP 65 -1.735 -3.127 -19.985 Start of MODEL 15 1 1H MET 1 1HT MET 1 -10.293 -4.994 -8.729 2 2H MET 1 2HT MET 1 -11.951 -5.289 -8.500 3 3H MET 1 3HT MET 1 -10.929 -6.534 -9.041 4 HA MET 1 HA MET 1 -11.032 -7.116 -6.848 5 1HB MET 1 1HB MET 1 -8.951 -4.912 -6.812 6 2HB MET 1 2HB MET 1 -8.917 -6.434 -5.921 7 1HG MET 1 1HG MET 1 -7.711 -7.256 -7.650 8 2HG MET 1 2HG MET 1 -9.215 -7.229 -8.571 9 1HE MET 1 1HE MET 1 -6.109 -7.026 -9.295 10 2HE MET 1 2HE MET 1 -5.659 -5.764 -8.150 11 3HE MET 1 3HE MET 1 -5.551 -5.452 -9.881 12 H ASP 2 H ASP 2 -11.216 -6.395 -4.526 13 HA ASP 2 HA ASP 2 -11.789 -3.717 -3.730 14 1HB ASP 2 1HB ASP 2 -14.350 -4.058 -3.670 15 2HB ASP 2 2HB ASP 2 -13.625 -3.744 -5.247 16 H ASP 3 H ASP 3 -12.730 -7.130 -3.323 17 HA ASP 3 HA ASP 3 -13.032 -6.720 -0.391 18 1HB ASP 3 1HB ASP 3 -14.370 -8.200 -2.305 19 2HB ASP 3 2HB ASP 3 -13.346 -9.414 -1.536 20 H GLN 4 H GLN 4 -11.063 -8.516 -2.747 21 HA GLN 4 HA GLN 4 -9.220 -9.305 -0.515 22 1HB GLN 4 1HB GLN 4 -10.376 -11.120 -1.773 23 2HB GLN 4 2HB GLN 4 -9.655 -10.518 -3.266 24 1HG GLN 4 1HG GLN 4 -7.427 -10.745 -1.752 25 2HG GLN 4 2HG GLN 4 -8.407 -12.017 -1.020 26 1HE2 GLN 4 1HE2 GLN 4 -9.837 -12.915 -3.314 27 2HE2 GLN 4 2HE2 GLN 4 -8.736 -13.591 -4.416 28 H GLY 5 H GLY 5 -8.920 -6.711 -1.492 29 1HA GLY 5 1HA GLY 5 -6.491 -6.962 -3.220 30 2HA GLY 5 2HA GLY 5 -7.617 -5.614 -3.373 31 H CYS 6 H CYS 6 -7.457 -3.899 -1.894 32 HA CYS 6 HA CYS 6 -5.046 -3.238 -0.704 33 1HB CYS 6 1HB CYS 6 -6.683 -1.537 -0.913 34 2HB CYS 6 2HB CYS 6 -7.932 -2.546 -0.188 35 HA PRO 7 HA PRO 7 -5.169 -6.091 2.755 36 1HB PRO 7 1HB PRO 7 -2.461 -6.171 3.086 37 2HB PRO 7 2HB PRO 7 -3.319 -7.077 1.825 38 1HG PRO 7 1HG PRO 7 -1.574 -4.743 1.591 39 2HG PRO 7 2HG PRO 7 -2.109 -5.874 0.344 40 1HD PRO 7 1HD PRO 7 -3.126 -3.230 0.959 41 2HD PRO 7 2HD PRO 7 -3.535 -4.295 -0.403 42 H ARG 8 H ARG 8 -3.154 -3.086 2.821 43 HA ARG 8 HA ARG 8 -3.076 -3.172 5.768 44 1HB ARG 8 1HB ARG 8 -1.156 -2.520 4.288 45 2HB ARG 8 2HB ARG 8 -2.045 -1.064 3.855 46 1HG ARG 8 1HG ARG 8 -1.908 -0.167 6.004 47 2HG ARG 8 2HG ARG 8 -1.558 -1.735 6.739 48 1HD ARG 8 1HD ARG 8 0.642 -1.734 5.484 49 2HD ARG 8 2HD ARG 8 0.284 -0.072 4.979 50 HE ARG 8 HE ARG 8 1.324 -0.742 7.516 51 1HH1 ARG 8 1HH1 ARG 8 -0.833 1.384 5.954 52 2HH1 ARG 8 2HH1 ARG 8 -1.296 2.218 7.399 53 1HH2 ARG 8 1HH2 ARG 8 0.477 0.111 9.504 54 2HH2 ARG 8 2HH2 ARG 8 -0.554 1.499 9.407 55 H CYS 9 H CYS 9 -4.704 -1.126 3.303 56 HA CYS 9 HA CYS 9 -6.232 0.045 5.595 57 1HB CYS 9 1HB CYS 9 -5.847 2.213 4.792 58 2HB CYS 9 2HB CYS 9 -4.308 1.410 4.539 59 H LYS 10 H LYS 10 -7.559 -1.858 4.734 60 HA LYS 10 HA LYS 10 -8.927 -2.582 2.684 61 1HB LYS 10 1HB LYS 10 -10.847 -2.852 4.014 62 2HB LYS 10 2HB LYS 10 -9.533 -2.702 5.179 63 1HG LYS 10 1HG LYS 10 -10.050 -0.293 5.435 64 2HG LYS 10 2HG LYS 10 -11.382 -0.464 4.293 65 1HD LYS 10 1HD LYS 10 -12.392 -0.638 6.440 66 2HD LYS 10 2HD LYS 10 -12.264 -2.302 5.867 67 1HE LYS 10 1HE LYS 10 -9.935 -2.255 7.102 68 2HE LYS 10 2HE LYS 10 -10.656 -0.898 7.991 69 1HZ LYS 10 1HZ LYS 10 -11.535 -2.590 9.203 70 2HZ LYS 10 2HZ LYS 10 -11.416 -3.718 7.937 71 3HZ LYS 10 3HZ LYS 10 -12.692 -2.596 7.962 72 H THR 11 H THR 11 -9.532 0.810 3.758 73 HA THR 11 HA THR 11 -11.659 1.595 2.252 74 HB THR 11 HB THR 11 -10.639 3.297 3.438 75 HG1 THR 11 1HG THR 11 -11.065 4.411 1.686 76 1HG2 THR 11 1HG2 THR 11 -8.502 2.324 3.861 77 2HG2 THR 11 2HG2 THR 11 -8.195 3.876 3.086 78 3HG2 THR 11 3HG2 THR 11 -8.064 2.387 2.158 79 H THR 12 H THR 12 -8.805 2.705 0.639 80 HA THR 12 HA THR 12 -8.514 2.978 -1.675 81 HB THR 12 HB THR 12 -7.290 1.038 -0.569 82 HG1 THR 12 1HG THR 12 -6.835 1.941 -2.677 83 1HG2 THR 12 1HG2 THR 12 -9.677 -0.268 -1.660 84 2HG2 THR 12 2HG2 THR 12 -8.613 -0.773 -0.362 85 3HG2 THR 12 3HG2 THR 12 -8.163 -1.076 -2.039 86 H LYS 13 H LYS 13 -8.981 0.687 -3.484 87 HA LYS 13 HA LYS 13 -11.092 1.500 -4.995 88 1HB LYS 13 1HB LYS 13 -10.665 -0.438 -6.155 89 2HB LYS 13 2HB LYS 13 -9.258 -0.375 -5.126 90 1HG LYS 13 1HG LYS 13 -11.675 -1.822 -4.112 91 2HG LYS 13 2HG LYS 13 -10.656 -2.600 -5.317 92 1HD LYS 13 1HD LYS 13 -8.739 -1.682 -3.674 93 2HD LYS 13 2HD LYS 13 -10.044 -1.879 -2.494 94 1HE LYS 13 1HE LYS 13 -9.964 -4.179 -4.247 95 2HE LYS 13 2HE LYS 13 -8.364 -3.910 -3.528 96 1HZ LYS 13 1HZ LYS 13 -10.850 -3.698 -1.933 97 2HZ LYS 13 2HZ LYS 13 -9.260 -3.928 -1.384 98 3HZ LYS 13 3HZ LYS 13 -10.086 -5.195 -2.156 99 H TYR 14 H TYR 14 -11.490 -0.757 -2.208 100 HA TYR 14 HA TYR 14 -14.282 -1.171 -2.671 101 1HB TYR 14 1HB TYR 14 -12.571 -2.237 -0.983 102 2HB TYR 14 2HB TYR 14 -13.093 -0.937 0.074 103 HD1 TYR 14 1HD TYR 14 -14.457 -1.997 1.699 104 HD2 TYR 14 2HD TYR 14 -15.060 -2.834 -2.469 105 HE1 TYR 14 1HE TYR 14 -16.504 -3.278 2.253 106 HE2 TYR 14 2HE TYR 14 -17.107 -4.115 -1.915 107 HH TYR 14 HH TYR 14 -17.851 -5.426 0.523 108 H ARG 15 H ARG 15 -12.538 1.244 -0.755 109 HA ARG 15 HA ARG 15 -14.968 2.930 -0.449 110 1HB ARG 15 1HB ARG 15 -12.170 2.751 0.610 111 2HB ARG 15 2HB ARG 15 -12.964 4.313 0.668 112 1HG ARG 15 1HG ARG 15 -13.252 2.794 2.728 113 2HG ARG 15 2HG ARG 15 -14.723 3.487 2.048 114 1HD ARG 15 1HD ARG 15 -15.132 1.119 2.459 115 2HD ARG 15 2HD ARG 15 -14.987 1.333 0.705 116 HE ARG 15 HE ARG 15 -12.618 0.548 0.919 117 1HH1 ARG 15 1HH1 ARG 15 -14.059 0.774 3.980 118 2HH1 ARG 15 2HH1 ARG 15 -13.430 -0.728 4.567 119 1HH2 ARG 15 1HH2 ARG 15 -12.101 -1.674 1.508 120 2HH2 ARG 15 2HH2 ARG 15 -12.326 -2.115 3.167 121 H ASN 16 H ASN 16 -11.649 3.807 -1.105 122 HA ASN 16 HA ASN 16 -11.915 6.032 -2.739 123 1HB ASN 16 1HB ASN 16 -10.005 4.046 -1.935 124 2HB ASN 16 2HB ASN 16 -9.728 4.407 -3.623 125 1HD2 ASN 16 1HD2 ASN 16 -7.652 5.405 -2.618 126 2HD2 ASN 16 2HD2 ASN 16 -7.745 7.005 -2.057 127 HA PRO 17 HA PRO 17 -13.265 4.130 -6.551 128 1HB PRO 17 1HB PRO 17 -13.485 6.467 -7.959 129 2HB PRO 17 2HB PRO 17 -14.626 6.004 -6.682 130 1HG PRO 17 1HG PRO 17 -12.619 8.116 -6.697 131 2HG PRO 17 2HG PRO 17 -13.935 7.836 -5.550 132 1HD PRO 17 1HD PRO 17 -11.098 7.123 -5.332 133 2HD PRO 17 2HD PRO 17 -12.348 7.185 -4.068 134 H SER 18 H SER 18 -11.024 6.869 -7.187 135 HA SER 18 HA SER 18 -9.880 5.428 -9.487 136 1HB SER 18 1HB SER 18 -9.813 8.161 -8.280 137 2HB SER 18 2HB SER 18 -8.516 7.712 -9.384 138 HG SER 18 HG SER 18 -10.481 8.668 -10.335 139 H LEU 19 H LEU 19 -8.994 3.731 -7.798 140 HA LEU 19 HA LEU 19 -6.275 4.648 -6.919 141 1HB LEU 19 1HB LEU 19 -6.538 2.837 -5.168 142 2HB LEU 19 2HB LEU 19 -7.618 4.207 -5.007 143 HG LEU 19 HG LEU 19 -8.588 1.853 -4.750 144 1HD1 LEU 19 1HD1 LEU 19 -10.361 3.171 -4.792 145 2HD1 LEU 19 2HD1 LEU 19 -10.480 2.881 -6.522 146 3HD1 LEU 19 3HD1 LEU 19 -9.595 4.284 -5.918 147 1HD2 LEU 19 1HD2 LEU 19 -9.384 0.796 -6.813 148 2HD2 LEU 19 2HD2 LEU 19 -7.625 0.863 -6.795 149 3HD2 LEU 19 3HD2 LEU 19 -8.542 2.005 -7.773 150 H LYS 20 H LYS 20 -5.607 1.843 -6.239 151 HA LYS 20 HA LYS 20 -5.848 -0.009 -8.305 152 1HB LYS 20 1HB LYS 20 -3.551 0.565 -9.442 153 2HB LYS 20 2HB LYS 20 -4.971 1.500 -9.902 154 1HG LYS 20 1HG LYS 20 -3.702 2.665 -7.569 155 2HG LYS 20 2HG LYS 20 -2.544 2.503 -8.890 156 1HD LYS 20 1HD LYS 20 -4.834 3.422 -10.160 157 2HD LYS 20 2HD LYS 20 -4.829 4.310 -8.636 158 1HE LYS 20 1HE LYS 20 -2.355 4.089 -10.375 159 2HE LYS 20 2HE LYS 20 -3.529 5.409 -10.552 160 1HZ LYS 20 1HZ LYS 20 -3.021 6.240 -8.510 161 2HZ LYS 20 2HZ LYS 20 -1.523 5.499 -8.819 162 3HZ LYS 20 3HZ LYS 20 -2.675 4.720 -7.843 163 H LEU 21 H LEU 21 -3.671 -1.464 -8.338 164 HA LEU 21 HA LEU 21 -2.611 -1.446 -5.522 165 1HB LEU 21 1HB LEU 21 -3.800 -3.562 -7.281 166 2HB LEU 21 2HB LEU 21 -2.583 -4.039 -6.098 167 HG LEU 21 HG LEU 21 -3.914 -2.975 -4.307 168 1HD1 LEU 21 1HD1 LEU 21 -6.420 -2.567 -5.297 169 2HD1 LEU 21 2HD1 LEU 21 -5.443 -2.034 -6.664 170 3HD1 LEU 21 3HD1 LEU 21 -5.235 -1.279 -5.084 171 1HD2 LEU 21 1HD2 LEU 21 -4.297 -5.391 -5.218 172 2HD2 LEU 21 2HD2 LEU 21 -5.799 -4.733 -5.867 173 3HD2 LEU 21 3HD2 LEU 21 -5.502 -4.702 -4.130 174 H MET 22 H MET 22 -0.375 -1.439 -5.401 175 HA MET 22 HA MET 22 1.139 -1.764 -7.920 176 1HB MET 22 1HB MET 22 2.735 -1.325 -5.547 177 2HB MET 22 2HB MET 22 2.577 -0.302 -6.962 178 1HG MET 22 1HG MET 22 0.256 0.329 -5.850 179 2HG MET 22 2HG MET 22 1.074 -0.194 -4.381 180 1HE MET 22 1HE MET 22 0.879 3.599 -4.395 181 2HE MET 22 2HE MET 22 -0.177 2.238 -4.763 182 3HE MET 22 3HE MET 22 0.405 3.271 -6.066 183 H VAL 23 H VAL 23 3.324 -2.940 -7.582 184 HA VAL 23 HA VAL 23 2.947 -5.407 -5.933 185 HB VAL 23 HB VAL 23 3.153 -5.005 -8.853 186 1HG1 VAL 23 1HG1 VAL 23 4.956 -6.926 -7.396 187 2HG1 VAL 23 2HG1 VAL 23 5.312 -5.924 -8.803 188 3HG1 VAL 23 3HG1 VAL 23 4.307 -7.362 -8.977 189 1HG2 VAL 23 1HG2 VAL 23 2.063 -7.278 -8.786 190 2HG2 VAL 23 2HG2 VAL 23 1.199 -6.035 -7.882 191 3HG2 VAL 23 3HG2 VAL 23 2.188 -7.219 -7.027 192 H ASN 24 H ASN 24 4.913 -6.097 -4.974 193 HA ASN 24 HA ASN 24 7.259 -4.326 -5.550 194 1HB ASN 24 1HB ASN 24 7.785 -5.216 -3.084 195 2HB ASN 24 2HB ASN 24 6.740 -3.828 -3.372 196 1HD2 ASN 24 1HD2 ASN 24 4.765 -3.944 -2.306 197 2HD2 ASN 24 2HD2 ASN 24 3.988 -5.380 -1.842 198 H VAL 25 H VAL 25 9.359 -5.350 -4.892 199 HA VAL 25 HA VAL 25 10.292 -7.303 -6.481 200 HB VAL 25 HB VAL 25 11.782 -6.182 -5.061 201 1HG1 VAL 25 1HG1 VAL 25 11.119 -5.468 -3.039 202 2HG1 VAL 25 2HG1 VAL 25 11.187 -7.121 -2.433 203 3HG1 VAL 25 3HG1 VAL 25 9.693 -6.500 -3.130 204 1HG2 VAL 25 1HG2 VAL 25 11.884 -8.668 -3.467 205 2HG2 VAL 25 2HG2 VAL 25 13.140 -7.892 -4.430 206 3HG2 VAL 25 3HG2 VAL 25 11.913 -8.884 -5.217 207 H CYS 26 H CYS 26 9.396 -8.334 -3.126 208 HA CYS 26 HA CYS 26 9.468 -11.077 -3.552 209 1HB CYS 26 1HB CYS 26 7.557 -11.074 -1.791 210 2HB CYS 26 2HB CYS 26 9.081 -10.304 -1.361 211 H GLY 27 H GLY 27 6.570 -9.003 -4.104 212 1HA GLY 27 1HA GLY 27 5.572 -9.728 -6.427 213 2HA GLY 27 2HA GLY 27 5.395 -11.284 -5.620 214 H HIS 28 H HIS 28 4.864 -9.473 -3.076 215 HA HIS 28 HA HIS 28 2.027 -9.756 -3.089 216 1HB HIS 28 1HB HIS 28 3.931 -8.045 -1.470 217 2HB HIS 28 2HB HIS 28 2.236 -8.287 -1.047 218 HD2 HIS 28 2HD HIS 28 1.824 -11.424 -1.370 219 HE1 HIS 28 1HE HIS 28 5.385 -11.974 0.822 220 HE2 HIS 28 2HE HIS 28 3.270 -13.106 -0.001 221 H THR 29 H THR 29 1.554 -6.896 -2.041 222 HA THR 29 HA THR 29 1.935 -5.145 -4.320 223 HB THR 29 HB THR 29 -0.312 -7.044 -4.162 224 HG1 THR 29 1HG THR 29 -0.273 -6.278 -6.480 225 1HG2 THR 29 1HG2 THR 29 -1.490 -4.921 -3.574 226 2HG2 THR 29 2HG2 THR 29 -1.984 -5.554 -5.144 227 3HG2 THR 29 3HG2 THR 29 -0.865 -4.196 -5.055 228 H LEU 30 H LEU 30 0.514 -3.135 -4.106 229 HA LEU 30 HA LEU 30 -0.475 -2.680 -1.315 230 1HB LEU 30 1HB LEU 30 2.011 -1.907 -2.219 231 2HB LEU 30 2HB LEU 30 1.058 -0.459 -2.485 232 HG LEU 30 HG LEU 30 0.363 -0.465 -0.165 233 1HD1 LEU 30 1HD1 LEU 30 1.584 -2.209 1.326 234 2HD1 LEU 30 2HD1 LEU 30 1.716 -3.119 -0.179 235 3HD1 LEU 30 3HD1 LEU 30 0.126 -2.691 0.457 236 1HD2 LEU 30 1HD2 LEU 30 3.078 -0.237 -1.012 237 2HD2 LEU 30 2HD2 LEU 30 3.059 -0.918 0.611 238 3HD2 LEU 30 3HD2 LEU 30 2.274 0.627 0.293 239 H CYS 31 H CYS 31 -2.593 -2.050 -1.681 240 HA CYS 31 HA CYS 31 -3.703 -1.034 -4.056 241 1HB CYS 31 1HB CYS 31 -5.559 -1.004 -2.726 242 2HB CYS 31 2HB CYS 31 -4.505 -1.661 -1.492 243 H GLU 32 H GLU 32 -4.667 1.439 -4.053 244 HA GLU 32 HA GLU 32 -2.271 3.124 -4.140 245 1HB GLU 32 1HB GLU 32 -3.640 4.518 -5.334 246 2HB GLU 32 2HB GLU 32 -4.723 3.137 -5.352 247 1HG GLU 32 1HG GLU 32 -6.072 4.017 -3.618 248 2HG GLU 32 2HG GLU 32 -4.827 5.158 -3.109 249 H SER 33 H SER 33 -5.111 2.906 -2.043 250 HA SER 33 HA SER 33 -4.413 5.015 -0.252 251 1HB SER 33 1HB SER 33 -6.090 2.503 0.157 252 2HB SER 33 2HB SER 33 -6.176 3.978 1.122 253 HG SER 33 HG SER 33 -6.887 5.110 -0.640 254 H CYS 34 H CYS 34 -2.898 1.899 -0.581 255 HA CYS 34 HA CYS 34 -2.151 1.763 2.290 256 1HB CYS 34 1HB CYS 34 -1.564 0.084 -0.169 257 2HB CYS 34 2HB CYS 34 -0.646 -0.111 1.325 258 H VAL 35 H VAL 35 -0.342 1.889 -0.787 259 HA VAL 35 HA VAL 35 2.208 2.453 0.081 260 HB VAL 35 HB VAL 35 0.507 3.160 -2.255 261 1HG1 VAL 35 1HG1 VAL 35 2.844 4.786 -1.413 262 2HG1 VAL 35 2HG1 VAL 35 1.476 5.228 -2.436 263 3HG1 VAL 35 3HG1 VAL 35 2.808 4.285 -3.104 264 1HG2 VAL 35 1HG2 VAL 35 1.606 1.308 -2.880 265 2HG2 VAL 35 2HG2 VAL 35 2.748 1.463 -1.551 266 3HG2 VAL 35 3HG2 VAL 35 3.034 2.327 -3.057 267 H ASP 36 H ASP 36 -0.590 4.545 0.344 268 HA ASP 36 HA ASP 36 0.867 6.999 0.855 269 1HB ASP 36 1HB ASP 36 -1.245 7.820 0.707 270 2HB ASP 36 2HB ASP 36 -1.739 6.176 0.319 271 H LEU 37 H LEU 37 -0.747 4.613 3.032 272 HA LEU 37 HA LEU 37 0.341 6.000 5.397 273 1HB LEU 37 1HB LEU 37 -1.740 4.112 4.706 274 2HB LEU 37 2HB LEU 37 -0.797 3.506 6.068 275 HG LEU 37 HG LEU 37 -2.760 4.985 6.699 276 1HD1 LEU 37 1HD1 LEU 37 -1.583 5.995 8.483 277 2HD1 LEU 37 2HD1 LEU 37 -0.135 6.238 7.505 278 3HD1 LEU 37 3HD1 LEU 37 -0.576 4.616 8.040 279 1HD2 LEU 37 1HD2 LEU 37 -2.959 7.080 5.859 280 2HD2 LEU 37 2HD2 LEU 37 -1.751 6.593 4.670 281 3HD2 LEU 37 3HD2 LEU 37 -1.254 7.434 6.138 282 H LEU 38 H LEU 38 1.096 3.218 3.427 283 HA LEU 38 HA LEU 38 2.719 1.750 5.259 284 1HB LEU 38 1HB LEU 38 1.745 1.253 2.882 285 2HB LEU 38 2HB LEU 38 3.230 1.998 2.297 286 HG LEU 38 HG LEU 38 3.784 -0.285 2.410 287 1HD1 LEU 38 1HD1 LEU 38 5.427 1.130 3.625 288 2HD1 LEU 38 2HD1 LEU 38 5.349 -0.498 4.297 289 3HD1 LEU 38 3HD1 LEU 38 4.552 0.836 5.127 290 1HD2 LEU 38 1HD2 LEU 38 2.966 -1.817 3.989 291 2HD2 LEU 38 2HD2 LEU 38 1.612 -0.699 3.814 292 3HD2 LEU 38 3HD2 LEU 38 2.691 -0.568 5.204 293 H PHE 39 H PHE 39 3.574 4.257 2.873 294 HA PHE 39 HA PHE 39 6.389 4.236 3.721 295 1HB PHE 39 1HB PHE 39 4.966 6.055 1.789 296 2HB PHE 39 2HB PHE 39 6.677 5.609 1.787 297 HD1 PHE 39 1HD PHE 39 5.909 2.632 2.634 298 HD2 PHE 39 2HD PHE 39 4.732 5.245 -0.565 299 HE1 PHE 39 1HE PHE 39 5.356 0.665 1.239 300 HE2 PHE 39 2HE PHE 39 4.182 3.271 -1.959 301 HZ PHE 39 HZ PHE 39 4.477 0.986 -1.044 302 H VAL 40 H VAL 40 3.676 6.592 3.813 303 HA VAL 40 HA VAL 40 5.069 8.830 4.758 304 HB VAL 40 HB VAL 40 2.902 9.373 5.914 305 1HG1 VAL 40 1HG1 VAL 40 1.502 9.096 3.792 306 2HG1 VAL 40 2HG1 VAL 40 2.904 8.275 3.106 307 3HG1 VAL 40 3HG1 VAL 40 3.032 9.959 3.618 308 1HG2 VAL 40 1HG2 VAL 40 1.063 7.682 5.542 309 2HG2 VAL 40 2HG2 VAL 40 2.263 7.227 6.752 310 3HG2 VAL 40 3HG2 VAL 40 2.322 6.515 5.139 311 H ARG 41 H ARG 41 4.499 5.811 6.407 312 HA ARG 41 HA ARG 41 5.294 6.982 9.024 313 1HB ARG 41 1HB ARG 41 4.597 4.116 8.365 314 2HB ARG 41 2HB ARG 41 4.450 4.943 9.918 315 1HG ARG 41 1HG ARG 41 2.709 6.409 8.967 316 2HG ARG 41 2HG ARG 41 2.869 5.597 7.411 317 1HD ARG 41 1HD ARG 41 1.557 3.857 8.113 318 2HD ARG 41 2HD ARG 41 2.446 3.720 9.641 319 HE ARG 41 HE ARG 41 0.752 6.103 9.477 320 1HH1 ARG 41 1HH1 ARG 41 0.893 2.722 10.167 321 2HH1 ARG 41 2HH1 ARG 41 -0.418 2.768 11.298 322 1HH2 ARG 41 1HH2 ARG 41 -0.927 6.182 10.986 323 2HH2 ARG 41 2HH2 ARG 41 -1.447 4.723 11.761 324 H GLY 42 H GLY 42 6.780 5.437 6.331 325 1HA GLY 42 1HA GLY 42 9.371 5.509 7.452 326 2HA GLY 42 2HA GLY 42 8.754 3.883 7.722 327 H ALA 43 H ALA 43 7.280 3.591 5.264 328 HA ALA 43 HA ALA 43 7.664 3.063 2.962 329 1HB ALA 43 1HB ALA 43 10.206 4.609 2.952 330 2HB ALA 43 2HB ALA 43 8.752 5.511 3.378 331 3HB ALA 43 3HB ALA 43 8.848 4.677 1.828 332 H GLY 44 H GLY 44 8.741 1.341 1.988 333 1HA GLY 44 1HA GLY 44 10.595 -0.135 1.621 334 2HA GLY 44 2HA GLY 44 11.374 0.522 3.060 335 H ASN 45 H ASN 45 8.050 -0.748 2.728 336 HA ASN 45 HA ASN 45 8.760 -3.173 4.264 337 1HB ASN 45 1HB ASN 45 6.927 -1.009 5.345 338 2HB ASN 45 2HB ASN 45 7.284 -2.545 6.135 339 1HD2 ASN 45 1HD2 ASN 45 9.497 -2.854 6.974 340 2HD2 ASN 45 2HD2 ASN 45 10.513 -1.522 7.247 341 H CYS 46 H CYS 46 7.580 -4.746 3.279 342 HA CYS 46 HA CYS 46 5.359 -4.331 1.529 343 1HB CYS 46 1HB CYS 46 7.067 -6.348 2.086 344 2HB CYS 46 2HB CYS 46 5.684 -6.891 3.032 345 HA PRO 47 HA PRO 47 1.998 -3.798 4.386 346 1HB PRO 47 1HB PRO 47 -0.023 -4.891 2.888 347 2HB PRO 47 2HB PRO 47 0.701 -3.329 2.508 348 1HG PRO 47 1HG PRO 47 1.408 -6.035 1.422 349 2HG PRO 47 2HG PRO 47 0.967 -4.585 0.519 350 1HD PRO 47 1HD PRO 47 3.512 -5.204 0.850 351 2HD PRO 47 2HD PRO 47 3.020 -3.519 1.082 352 H GLU 48 H GLU 48 3.234 -6.797 3.327 353 HA GLU 48 HA GLU 48 1.753 -8.204 5.507 354 1HB GLU 48 1HB GLU 48 1.527 -10.111 3.851 355 2HB GLU 48 2HB GLU 48 0.583 -8.678 3.468 356 1HG GLU 48 1HG GLU 48 2.663 -7.977 2.057 357 2HG GLU 48 2HG GLU 48 3.112 -9.679 2.168 358 H CYS 49 H CYS 49 4.421 -8.725 3.106 359 HA CYS 49 HA CYS 49 5.757 -10.429 5.144 360 1HB CYS 49 1HB CYS 49 6.715 -11.496 3.345 361 2HB CYS 49 2HB CYS 49 5.318 -10.811 2.526 362 H GLY 50 H GLY 50 5.665 -7.284 4.936 363 1HA GLY 50 1HA GLY 50 7.174 -5.517 5.305 364 2HA GLY 50 2HA GLY 50 8.063 -6.713 6.247 365 H THR 51 H THR 51 9.764 -7.885 5.190 366 HA THR 51 HA THR 51 11.600 -8.094 3.726 367 HB THR 51 HB THR 51 9.263 -7.320 1.986 368 HG1 THR 51 1HG THR 51 9.857 -9.476 3.040 369 1HG2 THR 51 1HG2 THR 51 12.029 -8.023 0.972 370 2HG2 THR 51 2HG2 THR 51 11.356 -6.393 0.961 371 3HG2 THR 51 3HG2 THR 51 10.605 -7.663 -0.004 372 HA PRO 52 HA PRO 52 13.334 -4.050 3.753 373 1HB PRO 52 1HB PRO 52 15.651 -4.612 2.398 374 2HB PRO 52 2HB PRO 52 15.378 -5.072 4.091 375 1HG PRO 52 1HG PRO 52 15.163 -6.710 1.604 376 2HG PRO 52 2HG PRO 52 15.816 -7.151 3.190 377 1HD PRO 52 1HD PRO 52 13.330 -7.874 2.314 378 2HD PRO 52 2HD PRO 52 13.741 -7.659 4.031 379 H LEU 53 H LEU 53 11.732 -3.095 2.283 380 HA LEU 53 HA LEU 53 12.009 -3.378 -0.605 381 1HB LEU 53 1HB LEU 53 10.361 -1.918 1.400 382 2HB LEU 53 2HB LEU 53 10.406 -1.239 -0.224 383 HG LEU 53 HG LEU 53 9.296 -3.055 -1.147 384 1HD1 LEU 53 1HD1 LEU 53 10.808 -4.829 -0.657 385 2HD1 LEU 53 2HD1 LEU 53 9.269 -5.331 0.042 386 3HD1 LEU 53 3HD1 LEU 53 10.538 -4.681 1.080 387 1HD2 LEU 53 1HD2 LEU 53 8.172 -3.847 1.438 388 2HD2 LEU 53 2HD2 LEU 53 7.381 -3.098 0.051 389 3HD2 LEU 53 3HD2 LEU 53 8.240 -2.098 1.223 390 H ARG 54 H ARG 54 13.971 -1.903 1.580 391 HA ARG 54 HA ARG 54 15.659 -0.278 1.404 392 1HB ARG 54 1HB ARG 54 16.114 -1.542 -0.635 393 2HB ARG 54 2HB ARG 54 14.888 -0.628 -1.509 394 1HG ARG 54 1HG ARG 54 16.159 1.382 -1.390 395 2HG ARG 54 2HG ARG 54 17.232 0.718 -0.157 396 1HD ARG 54 1HD ARG 54 17.065 -0.133 -3.071 397 2HD ARG 54 2HD ARG 54 18.435 0.654 -2.262 398 HE ARG 54 HE ARG 54 17.970 -2.140 -2.229 399 1HH1 ARG 54 1HH1 ARG 54 19.707 0.195 -0.646 400 2HH1 ARG 54 2HH1 ARG 54 19.867 -0.660 0.852 401 1HH2 ARG 54 1HH2 ARG 54 17.613 -3.146 -0.021 402 2HH2 ARG 54 2HH2 ARG 54 18.681 -2.552 1.206 403 H LYS 55 H LYS 55 13.925 0.964 -1.406 404 HA LYS 55 HA LYS 55 13.365 3.466 0.150 405 1HB LYS 55 1HB LYS 55 13.586 4.560 -2.056 406 2HB LYS 55 2HB LYS 55 15.019 3.598 -1.694 407 1HG LYS 55 1HG LYS 55 14.684 2.589 -3.691 408 2HG LYS 55 2HG LYS 55 13.297 1.796 -2.944 409 1HD LYS 55 1HD LYS 55 11.995 3.950 -3.555 410 2HD LYS 55 2HD LYS 55 13.350 4.298 -4.629 411 1HE LYS 55 1HE LYS 55 13.011 2.046 -5.696 412 2HE LYS 55 2HE LYS 55 11.562 1.838 -4.691 413 1HZ LYS 55 1HZ LYS 55 12.102 3.839 -6.801 414 2HZ LYS 55 2HZ LYS 55 10.978 4.175 -5.572 415 3HZ LYS 55 3HZ LYS 55 10.740 2.846 -6.604 416 H SER 56 H SER 56 11.648 0.989 -0.183 417 HA SER 56 HA SER 56 9.319 0.651 -0.349 418 1HB SER 56 1HB SER 56 8.068 2.541 -0.051 419 2HB SER 56 2HB SER 56 9.638 3.314 0.139 420 HG SER 56 HG SER 56 8.046 4.159 -1.505 421 H ASN 57 H ASN 57 9.071 -0.736 -2.122 422 HA ASN 57 HA ASN 57 9.167 0.503 -4.857 423 1HB ASN 57 1HB ASN 57 9.466 -2.226 -5.223 424 2HB ASN 57 2HB ASN 57 10.792 -1.072 -5.129 425 1HD2 ASN 57 1HD2 ASN 57 9.575 -3.905 -3.755 426 2HD2 ASN 57 2HD2 ASN 57 10.461 -3.886 -2.308 427 H PHE 58 H PHE 58 7.063 0.840 -5.475 428 HA PHE 58 HA PHE 58 5.191 -1.477 -5.396 429 1HB PHE 58 1HB PHE 58 4.538 1.307 -4.365 430 2HB PHE 58 2HB PHE 58 3.468 -0.084 -4.312 431 HD1 PHE 58 1HD PHE 58 3.794 -1.886 -2.756 432 HD2 PHE 58 2HD PHE 58 6.569 1.386 -2.936 433 HE1 PHE 58 1HE PHE 58 4.799 -2.625 -0.614 434 HE2 PHE 58 2HE PHE 58 7.559 0.650 -0.788 435 HZ PHE 58 HZ PHE 58 6.683 -1.352 0.371 436 H ARG 59 H ARG 59 4.735 -1.691 -7.534 437 HA ARG 59 HA ARG 59 4.430 0.761 -9.222 438 1HB ARG 59 1HB ARG 59 4.346 -1.408 -10.928 439 2HB ARG 59 2HB ARG 59 5.802 -0.511 -10.518 440 1HG ARG 59 1HG ARG 59 6.199 -2.107 -8.622 441 2HG ARG 59 2HG ARG 59 4.805 -3.041 -9.169 442 1HD ARG 59 1HD ARG 59 6.256 -4.154 -10.530 443 2HD ARG 59 2HD ARG 59 6.364 -2.661 -11.483 444 HE ARG 59 HE ARG 59 8.231 -1.991 -9.895 445 1HH1 ARG 59 1HH2 ARG 59 8.676 -4.591 -11.631 446 2HH1 ARG 59 2HH2 ARG 59 9.561 -5.541 -10.485 447 1HH2 ARG 59 1HH1 ARG 59 8.768 -3.511 -7.789 448 2HH2 ARG 59 2HH1 ARG 59 9.613 -4.930 -8.310 449 H VAL 60 H VAL 60 2.322 1.340 -8.710 450 HA VAL 60 HA VAL 60 0.137 -0.624 -8.752 451 HB VAL 60 HB VAL 60 0.612 1.478 -7.256 452 1HG1 VAL 60 1HG1 VAL 60 -0.817 2.677 -9.645 453 2HG1 VAL 60 2HG1 VAL 60 0.775 3.126 -9.031 454 3HG1 VAL 60 3HG1 VAL 60 -0.667 3.468 -8.075 455 1HG2 VAL 60 1HG2 VAL 60 -1.322 0.222 -6.781 456 2HG2 VAL 60 2HG2 VAL 60 -2.031 0.548 -8.360 457 3HG2 VAL 60 3HG2 VAL 60 -1.965 1.821 -7.143 458 H GLN 61 H GLN 61 -1.594 -0.622 -10.165 459 HA GLN 61 HA GLN 61 -1.765 1.194 -12.452 460 1HB GLN 61 1HB GLN 61 -1.152 -0.415 -14.120 461 2HB GLN 61 2HB GLN 61 0.104 -0.525 -12.887 462 1HG GLN 61 1HG GLN 61 -0.416 -2.773 -13.174 463 2HG GLN 61 2HG GLN 61 -1.515 -2.351 -11.860 464 1HE2 GLN 61 1HE2 GLN 61 -2.839 -4.234 -12.784 465 2HE2 GLN 61 2HE2 GLN 61 -3.881 -3.912 -14.084 466 H LEU 62 H LEU 62 -3.700 0.507 -13.833 467 HA LEU 62 HA LEU 62 -5.506 -1.509 -12.671 468 1HB LEU 62 1HB LEU 62 -5.471 1.081 -11.646 469 2HB LEU 62 2HB LEU 62 -6.824 1.102 -12.776 470 HG LEU 62 HG LEU 62 -7.770 -0.898 -11.689 471 1HD1 LEU 62 1HD1 LEU 62 -5.294 -0.653 -9.966 472 2HD1 LEU 62 2HD1 LEU 62 -5.814 -2.044 -10.915 473 3HD1 LEU 62 3HD1 LEU 62 -6.709 -1.578 -9.471 474 1HD2 LEU 62 1HD2 LEU 62 -8.806 0.435 -10.183 475 2HD2 LEU 62 2HD2 LEU 62 -7.659 1.691 -10.647 476 3HD2 LEU 62 3HD2 LEU 62 -7.320 0.656 -9.259 477 H PHE 63 H PHE 63 -6.458 -2.422 -14.438 478 HA PHE 63 HA PHE 63 -7.827 -0.885 -16.465 479 1HB PHE 63 1HB PHE 63 -5.217 -0.668 -16.813 480 2HB PHE 63 2HB PHE 63 -5.379 -2.280 -17.511 481 HD1 PHE 63 1HD PHE 63 -8.332 -1.718 -18.454 482 HD2 PHE 63 2HD PHE 63 -4.601 0.347 -18.966 483 HE1 PHE 63 1HE PHE 63 -9.175 -0.718 -20.560 484 HE2 PHE 63 2HE PHE 63 -5.445 1.347 -21.074 485 HZ PHE 63 HZ PHE 63 -7.732 0.814 -21.871 486 H GLU 64 H GLU 64 -8.498 -3.127 -14.840 487 HA GLU 64 HA GLU 64 -8.240 -5.603 -16.365 488 1HB GLU 64 1HB GLU 64 -10.052 -4.792 -14.067 489 2HB GLU 64 2HB GLU 64 -9.714 -6.447 -14.577 490 1HG GLU 64 1HG GLU 64 -7.483 -4.561 -13.819 491 2HG GLU 64 2HG GLU 64 -8.345 -5.491 -12.592 492 H ASP 65 H ASP 65 -10.243 -2.853 -16.618 493 HA ASP 65 HA ASP 65 -12.369 -4.423 -18.036 494 1HB ASP 65 1HB ASP 65 -12.275 -2.032 -16.283 495 2HB ASP 65 2HB ASP 65 -13.395 -1.930 -17.641 Start of MODEL 16 1 1H MET 1 1HT MET 1 -8.447 -5.322 -8.491 2 2H MET 1 2HT MET 1 -8.065 -5.957 -6.961 3 3H MET 1 3HT MET 1 -8.377 -4.297 -7.142 4 HA MET 1 HA MET 1 -10.688 -4.973 -7.933 5 1HB MET 1 1HB MET 1 -9.781 -7.513 -6.547 6 2HB MET 1 2HB MET 1 -11.315 -7.243 -7.373 7 1HG MET 1 1HG MET 1 -10.218 -8.257 -9.111 8 2HG MET 1 2HG MET 1 -9.596 -6.628 -9.375 9 1HE MET 1 1HE MET 1 -8.180 -9.863 -6.824 10 2HE MET 1 2HE MET 1 -7.799 -10.441 -8.445 11 3HE MET 1 3HE MET 1 -9.435 -9.903 -8.070 12 H ASP 2 H ASP 2 -12.380 -4.978 -6.227 13 HA ASP 2 HA ASP 2 -11.496 -3.623 -3.804 14 1HB ASP 2 1HB ASP 2 -14.213 -4.764 -4.519 15 2HB ASP 2 2HB ASP 2 -13.876 -3.429 -3.417 16 H ASP 3 H ASP 3 -11.400 -6.832 -4.606 17 HA ASP 3 HA ASP 3 -11.960 -7.704 -1.789 18 1HB ASP 3 1HB ASP 3 -12.662 -9.809 -2.746 19 2HB ASP 3 2HB ASP 3 -13.454 -8.531 -3.668 20 H GLN 4 H GLN 4 -10.219 -8.563 -0.713 21 HA GLN 4 HA GLN 4 -8.057 -9.440 -0.331 22 1HB GLN 4 1HB GLN 4 -9.099 -11.118 -1.947 23 2HB GLN 4 2HB GLN 4 -8.246 -10.272 -3.238 24 1HG GLN 4 1HG GLN 4 -6.465 -10.832 -1.016 25 2HG GLN 4 2HG GLN 4 -7.223 -12.314 -1.600 26 1HE2 GLN 4 1HE2 GLN 4 -4.702 -10.085 -2.215 27 2HE2 GLN 4 2HE2 GLN 4 -4.323 -10.587 -3.792 28 H GLY 5 H GLY 5 -8.614 -6.743 -1.878 29 1HA GLY 5 1HA GLY 5 -6.010 -6.425 -3.250 30 2HA GLY 5 2HA GLY 5 -7.312 -5.235 -3.223 31 H CYS 6 H CYS 6 -6.936 -3.494 -1.911 32 HA CYS 6 HA CYS 6 -4.699 -2.873 -0.489 33 1HB CYS 6 1HB CYS 6 -6.432 -1.262 -0.733 34 2HB CYS 6 2HB CYS 6 -7.617 -2.296 0.032 35 HA PRO 7 HA PRO 7 -5.019 -5.983 2.776 36 1HB PRO 7 1HB PRO 7 -2.321 -6.335 3.038 37 2HB PRO 7 2HB PRO 7 -3.288 -7.148 1.795 38 1HG PRO 7 1HG PRO 7 -1.378 -4.927 1.550 39 2HG PRO 7 2HG PRO 7 -1.932 -6.080 0.330 40 1HD PRO 7 1HD PRO 7 -2.783 -3.381 0.715 41 2HD PRO 7 2HD PRO 7 -3.384 -4.553 -0.475 42 H ARG 8 H ARG 8 -3.540 -2.845 2.660 43 HA ARG 8 HA ARG 8 -2.843 -2.888 5.558 44 1HB ARG 8 1HB ARG 8 -1.506 -1.905 3.481 45 2HB ARG 8 2HB ARG 8 -2.546 -0.505 3.757 46 1HG ARG 8 1HG ARG 8 -1.479 0.065 5.673 47 2HG ARG 8 2HG ARG 8 -1.333 -1.613 6.204 48 1HD ARG 8 1HD ARG 8 0.346 -1.437 3.958 49 2HD ARG 8 2HD ARG 8 0.635 0.063 4.860 50 HE ARG 8 HE ARG 8 1.330 -2.612 5.754 51 1HH1 ARG 8 1HH1 ARG 8 2.338 0.257 6.535 52 2HH1 ARG 8 2HH1 ARG 8 2.008 0.222 8.235 53 1HH2 ARG 8 1HH2 ARG 8 -0.032 -2.575 8.050 54 2HH2 ARG 8 2HH2 ARG 8 0.665 -1.381 9.093 55 H CYS 9 H CYS 9 -4.576 -0.640 3.370 56 HA CYS 9 HA CYS 9 -6.259 0.190 5.711 57 1HB CYS 9 1HB CYS 9 -6.766 1.918 3.558 58 2HB CYS 9 2HB CYS 9 -5.763 2.253 4.955 59 H LYS 10 H LYS 10 -6.975 -2.259 4.440 60 HA LYS 10 HA LYS 10 -8.606 -2.704 2.428 61 1HB LYS 10 1HB LYS 10 -10.004 -4.052 3.841 62 2HB LYS 10 2HB LYS 10 -8.415 -4.000 4.604 63 1HG LYS 10 1HG LYS 10 -9.456 -1.877 5.819 64 2HG LYS 10 2HG LYS 10 -10.974 -2.696 5.441 65 1HD LYS 10 1HD LYS 10 -8.643 -3.774 7.054 66 2HD LYS 10 2HD LYS 10 -10.286 -3.469 7.618 67 1HE LYS 10 1HE LYS 10 -11.105 -5.222 6.017 68 2HE LYS 10 2HE LYS 10 -9.416 -5.579 5.605 69 1HZ LYS 10 1HZ LYS 10 -8.978 -5.980 7.950 70 2HZ LYS 10 2HZ LYS 10 -10.227 -6.999 7.414 71 3HZ LYS 10 3HZ LYS 10 -10.588 -5.623 8.344 72 H THR 11 H THR 11 -9.273 -0.638 1.474 73 HA THR 11 HA THR 11 -12.019 0.062 1.996 74 HB THR 11 HB THR 11 -10.433 0.921 3.968 75 HG1 THR 11 1HG THR 11 -12.040 2.258 4.439 76 1HG2 THR 11 1HG2 THR 11 -9.792 3.307 3.558 77 2HG2 THR 11 2HG2 THR 11 -10.196 3.092 1.853 78 3HG2 THR 11 3HG2 THR 11 -8.873 2.168 2.573 79 H THR 12 H THR 12 -8.892 1.353 0.915 80 HA THR 12 HA THR 12 -9.483 3.396 -0.758 81 HB THR 12 HB THR 12 -7.706 1.056 -1.478 82 HG1 THR 12 1HG THR 12 -7.447 3.220 0.302 83 1HG2 THR 12 1HG2 THR 12 -8.052 3.850 -2.418 84 2HG2 THR 12 2HG2 THR 12 -7.482 2.430 -3.294 85 3HG2 THR 12 3HG2 THR 12 -6.393 3.289 -2.210 86 H LYS 13 H LYS 13 -8.773 0.768 -2.901 87 HA LYS 13 HA LYS 13 -10.505 1.455 -4.895 88 1HB LYS 13 1HB LYS 13 -10.066 -0.700 -5.763 89 2HB LYS 13 2HB LYS 13 -8.710 -0.371 -4.708 90 1HG LYS 13 1HG LYS 13 -11.152 -1.823 -3.711 91 2HG LYS 13 2HG LYS 13 -9.815 -2.674 -4.480 92 1HD LYS 13 1HD LYS 13 -8.256 -1.694 -2.830 93 2HD LYS 13 2HD LYS 13 -9.613 -0.874 -2.044 94 1HE LYS 13 1HE LYS 13 -9.044 -3.010 -0.882 95 2HE LYS 13 2HE LYS 13 -10.669 -3.080 -1.590 96 1HZ LYS 13 1HZ LYS 13 -8.751 -4.881 -2.080 97 2HZ LYS 13 2HZ LYS 13 -8.474 -3.794 -3.356 98 3HZ LYS 13 3HZ LYS 13 -9.996 -4.524 -3.173 99 H TYR 14 H TYR 14 -11.399 -0.466 -2.019 100 HA TYR 14 HA TYR 14 -14.027 -1.160 -2.875 101 1HB TYR 14 1HB TYR 14 -12.813 -1.982 -0.838 102 2HB TYR 14 2HB TYR 14 -13.039 -0.409 -0.092 103 HD1 TYR 14 1HD TYR 14 -15.854 -0.863 -2.089 104 HD2 TYR 14 2HD TYR 14 -14.104 -2.324 1.554 105 HE1 TYR 14 1HE TYR 14 -18.092 -1.579 -1.300 106 HE2 TYR 14 2HE TYR 14 -16.343 -3.039 2.341 107 HH TYR 14 HH TYR 14 -19.013 -3.280 0.315 108 H ARG 15 H ARG 15 -12.755 1.701 -1.202 109 HA ARG 15 HA ARG 15 -15.276 3.223 -1.605 110 1HB ARG 15 1HB ARG 15 -12.677 3.493 -0.139 111 2HB ARG 15 2HB ARG 15 -13.545 4.972 -0.542 112 1HG ARG 15 1HG ARG 15 -14.859 4.611 1.254 113 2HG ARG 15 2HG ARG 15 -15.475 3.159 0.458 114 1HD ARG 15 1HD ARG 15 -12.853 3.152 1.962 115 2HD ARG 15 2HD ARG 15 -14.397 2.815 2.773 116 HE ARG 15 HE ARG 15 -13.230 1.212 0.522 117 1HH1 ARG 15 1HH1 ARG 15 -13.500 -0.140 3.111 118 2HH1 ARG 15 2HH1 ARG 15 -15.046 -0.911 3.004 119 1HH2 ARG 15 1HH2 ARG 15 -16.133 1.037 0.350 120 2HH2 ARG 15 2HH2 ARG 15 -16.538 -0.244 1.443 121 H ASN 16 H ASN 16 -11.914 4.192 -1.974 122 HA ASN 16 HA ASN 16 -12.145 6.085 -4.019 123 1HB ASN 16 1HB ASN 16 -10.137 4.438 -2.687 124 2HB ASN 16 2HB ASN 16 -9.705 4.735 -4.373 125 1HD2 ASN 16 1HD2 ASN 16 -7.976 5.970 -2.820 126 2HD2 ASN 16 2HD2 ASN 16 -8.315 7.621 -2.601 127 HA PRO 17 HA PRO 17 -13.152 3.079 -7.244 128 1HB PRO 17 1HB PRO 17 -14.296 4.897 -8.947 129 2HB PRO 17 2HB PRO 17 -15.166 4.172 -7.582 130 1HG PRO 17 1HG PRO 17 -13.977 6.874 -7.870 131 2HG PRO 17 2HG PRO 17 -15.404 6.359 -6.963 132 1HD PRO 17 1HD PRO 17 -12.881 6.898 -5.891 133 2HD PRO 17 2HD PRO 17 -14.187 6.009 -5.080 134 H SER 18 H SER 18 -11.301 6.023 -7.316 135 HA SER 18 HA SER 18 -10.047 5.238 -9.921 136 1HB SER 18 1HB SER 18 -11.034 7.475 -9.805 137 2HB SER 18 2HB SER 18 -10.115 7.831 -8.346 138 HG SER 18 HG SER 18 -8.420 8.231 -9.495 139 H LEU 19 H LEU 19 -8.942 3.536 -8.432 140 HA LEU 19 HA LEU 19 -6.323 4.646 -7.586 141 1HB LEU 19 1HB LEU 19 -6.520 3.878 -5.349 142 2HB LEU 19 2HB LEU 19 -8.062 4.647 -5.691 143 HG LEU 19 HG LEU 19 -8.713 2.656 -4.657 144 1HD1 LEU 19 1HD1 LEU 19 -9.643 1.173 -6.390 145 2HD1 LEU 19 2HD1 LEU 19 -8.628 1.924 -7.596 146 3HD1 LEU 19 3HD1 LEU 19 -9.882 2.864 -6.812 147 1HD2 LEU 19 1HD2 LEU 19 -7.140 0.713 -6.192 148 2HD2 LEU 19 2HD2 LEU 19 -7.399 0.837 -4.451 149 3HD2 LEU 19 3HD2 LEU 19 -6.158 1.812 -5.224 150 H LYS 20 H LYS 20 -5.107 2.472 -6.548 151 HA LYS 20 HA LYS 20 -5.793 -0.015 -7.866 152 1HB LYS 20 1HB LYS 20 -3.611 0.144 -9.312 153 2HB LYS 20 2HB LYS 20 -5.058 0.978 -9.873 154 1HG LYS 20 1HG LYS 20 -3.439 2.600 -8.040 155 2HG LYS 20 2HG LYS 20 -2.574 2.147 -9.510 156 1HD LYS 20 1HD LYS 20 -5.373 3.038 -9.901 157 2HD LYS 20 2HD LYS 20 -4.251 4.284 -9.352 158 1HE LYS 20 1HE LYS 20 -2.693 3.332 -11.250 159 2HE LYS 20 2HE LYS 20 -4.212 2.687 -11.906 160 1HZ LYS 20 1HZ LYS 20 -5.104 5.025 -11.409 161 2HZ LYS 20 2HZ LYS 20 -4.097 4.843 -12.765 162 3HZ LYS 20 3HZ LYS 20 -3.478 5.497 -11.324 163 H LEU 21 H LEU 21 -3.865 -1.601 -7.652 164 HA LEU 21 HA LEU 21 -2.474 -1.023 -5.057 165 1HB LEU 21 1HB LEU 21 -3.648 -3.485 -6.354 166 2HB LEU 21 2HB LEU 21 -2.524 -3.612 -5.002 167 HG LEU 21 HG LEU 21 -4.015 -2.205 -3.628 168 1HD1 LEU 21 1HD1 LEU 21 -6.431 -2.044 -4.783 169 2HD1 LEU 21 2HD1 LEU 21 -5.443 -1.969 -6.240 170 3HD1 LEU 21 3HD1 LEU 21 -5.231 -0.766 -4.967 171 1HD2 LEU 21 1HD2 LEU 21 -6.130 -3.898 -4.074 172 2HD2 LEU 21 2HD2 LEU 21 -4.706 -4.305 -3.118 173 3HD2 LEU 21 3HD2 LEU 21 -4.796 -4.786 -4.811 174 H MET 22 H MET 22 -0.212 -1.216 -5.032 175 HA MET 22 HA MET 22 1.068 -1.980 -7.607 176 1HB MET 22 1HB MET 22 2.841 -1.031 -5.533 177 2HB MET 22 2HB MET 22 2.553 -0.346 -7.107 178 1HG MET 22 1HG MET 22 0.342 0.553 -6.041 179 2HG MET 22 2HG MET 22 1.198 0.293 -4.520 180 1HE MET 22 1HE MET 22 0.151 2.766 -4.985 181 2HE MET 22 2HE MET 22 0.368 3.232 -6.671 182 3HE MET 22 3HE MET 22 1.219 4.114 -5.404 183 H VAL 23 H VAL 23 3.093 -3.217 -7.468 184 HA VAL 23 HA VAL 23 3.087 -5.197 -5.218 185 HB VAL 23 HB VAL 23 3.013 -5.448 -8.188 186 1HG1 VAL 23 1HG1 VAL 23 4.004 -7.748 -8.032 187 2HG1 VAL 23 2HG1 VAL 23 4.492 -7.382 -6.376 188 3HG1 VAL 23 3HG1 VAL 23 5.180 -6.471 -7.720 189 1HG2 VAL 23 1HG2 VAL 23 1.343 -6.968 -7.742 190 2HG2 VAL 23 2HG2 VAL 23 1.240 -5.983 -6.282 191 3HG2 VAL 23 3HG2 VAL 23 2.102 -7.522 -6.249 192 H ASN 24 H ASN 24 4.948 -4.746 -4.116 193 HA ASN 24 HA ASN 24 7.247 -3.552 -5.516 194 1HB ASN 24 1HB ASN 24 8.144 -3.627 -3.091 195 2HB ASN 24 2HB ASN 24 6.783 -2.561 -3.454 196 1HD2 ASN 24 1HD2 ASN 24 4.794 -2.973 -2.384 197 2HD2 ASN 24 2HD2 ASN 24 4.558 -4.266 -1.310 198 H VAL 25 H VAL 25 9.435 -4.349 -4.665 199 HA VAL 25 HA VAL 25 10.169 -6.757 -5.852 200 HB VAL 25 HB VAL 25 11.761 -5.076 -5.342 201 1HG1 VAL 25 1HG1 VAL 25 12.009 -5.039 -2.538 202 2HG1 VAL 25 2HG1 VAL 25 10.276 -4.973 -2.858 203 3HG1 VAL 25 3HG1 VAL 25 11.348 -3.760 -3.558 204 1HG2 VAL 25 1HG2 VAL 25 12.290 -7.630 -4.761 205 2HG2 VAL 25 2HG2 VAL 25 12.498 -6.948 -3.148 206 3HG2 VAL 25 3HG2 VAL 25 13.474 -6.351 -4.490 207 H CYS 26 H CYS 26 8.263 -8.078 -4.905 208 HA CYS 26 HA CYS 26 9.278 -10.094 -3.150 209 1HB CYS 26 1HB CYS 26 8.155 -9.595 -1.111 210 2HB CYS 26 2HB CYS 26 8.845 -8.056 -1.621 211 H GLY 27 H GLY 27 6.384 -8.441 -4.390 212 1HA GLY 27 1HA GLY 27 4.848 -9.529 -5.906 213 2HA GLY 27 2HA GLY 27 5.356 -11.087 -5.258 214 H HIS 28 H HIS 28 3.357 -8.232 -4.628 215 HA HIS 28 HA HIS 28 1.522 -9.914 -3.073 216 1HB HIS 28 1HB HIS 28 3.404 -7.931 -1.862 217 2HB HIS 28 2HB HIS 28 1.781 -8.051 -1.173 218 HD2 HIS 28 2HD HIS 28 1.532 -11.369 -1.726 219 HE1 HIS 28 1HE HIS 28 4.861 -11.627 0.828 220 HE2 HIS 28 2HE HIS 28 2.967 -12.926 -0.214 221 H THR 29 H THR 29 1.284 -6.633 -2.153 222 HA THR 29 HA THR 29 -0.050 -5.549 -4.466 223 HB THR 29 HB THR 29 -1.555 -7.231 -2.495 224 HG1 THR 29 1HG THR 29 -1.676 -8.197 -4.349 225 1HG2 THR 29 1HG2 THR 29 -3.574 -5.821 -3.711 226 2HG2 THR 29 2HG2 THR 29 -2.394 -4.552 -3.390 227 3HG2 THR 29 3HG2 THR 29 -3.009 -5.541 -2.065 228 H LEU 30 H LEU 30 -0.503 -3.365 -4.107 229 HA LEU 30 HA LEU 30 -0.605 -2.365 -1.293 230 1HB LEU 30 1HB LEU 30 1.748 -2.513 -2.199 231 2HB LEU 30 2HB LEU 30 1.286 -1.325 -3.409 232 HG LEU 30 HG LEU 30 0.434 -0.214 -1.017 233 1HD1 LEU 30 1HD1 LEU 30 2.938 -0.319 0.013 234 2HD1 LEU 30 2HD1 LEU 30 2.777 -1.960 -0.614 235 3HD1 LEU 30 3HD1 LEU 30 1.619 -1.350 0.568 236 1HD2 LEU 30 1HD2 LEU 30 2.395 0.237 -3.088 237 2HD2 LEU 30 2HD2 LEU 30 2.904 0.891 -1.530 238 3HD2 LEU 30 3HD2 LEU 30 1.363 1.383 -2.236 239 H CYS 31 H CYS 31 -2.761 -1.654 -1.692 240 HA CYS 31 HA CYS 31 -3.771 -0.295 -3.942 241 1HB CYS 31 1HB CYS 31 -5.614 -0.132 -2.591 242 2HB CYS 31 2HB CYS 31 -4.666 -1.131 -1.502 243 H GLU 32 H GLU 32 -4.558 2.159 -3.659 244 HA GLU 32 HA GLU 32 -2.178 3.797 -3.778 245 1HB GLU 32 1HB GLU 32 -3.711 5.228 -4.669 246 2HB GLU 32 2HB GLU 32 -4.916 3.976 -4.396 247 1HG GLU 32 1HG GLU 32 -5.527 4.915 -2.266 248 2HG GLU 32 2HG GLU 32 -4.151 6.015 -2.291 249 H SER 33 H SER 33 -4.759 3.485 -1.351 250 HA SER 33 HA SER 33 -3.618 5.162 0.661 251 1HB SER 33 1HB SER 33 -5.416 2.711 0.971 252 2HB SER 33 2HB SER 33 -5.294 4.090 2.070 253 HG SER 33 HG SER 33 -6.317 5.363 0.682 254 H CYS 34 H CYS 34 -2.475 2.077 -0.442 255 HA CYS 34 HA CYS 34 -1.414 1.370 2.231 256 1HB CYS 34 1HB CYS 34 -1.406 0.133 -0.520 257 2HB CYS 34 2HB CYS 34 -0.253 -0.420 0.697 258 H VAL 35 H VAL 35 -0.036 2.218 -0.998 259 HA VAL 35 HA VAL 35 2.668 2.441 -0.439 260 HB VAL 35 HB VAL 35 0.736 3.544 -2.287 261 1HG1 VAL 35 1HG1 VAL 35 1.098 5.771 -1.623 262 2HG1 VAL 35 2HG1 VAL 35 2.292 5.547 -2.898 263 3HG1 VAL 35 3HG1 VAL 35 2.785 5.469 -1.209 264 1HG2 VAL 35 1HG2 VAL 35 2.247 2.418 -3.486 265 2HG2 VAL 35 2HG2 VAL 35 3.476 2.562 -2.244 266 3HG2 VAL 35 3HG2 VAL 35 3.242 3.864 -3.407 267 H ASP 36 H ASP 36 0.427 5.192 -0.024 268 HA ASP 36 HA ASP 36 2.111 6.929 1.395 269 1HB ASP 36 1HB ASP 36 -0.246 7.613 2.434 270 2HB ASP 36 2HB ASP 36 0.081 7.863 0.725 271 H LEU 37 H LEU 37 -0.451 5.046 3.078 272 HA LEU 37 HA LEU 37 0.492 5.389 5.691 273 1HB LEU 37 1HB LEU 37 -1.645 4.309 4.750 274 2HB LEU 37 2HB LEU 37 -0.704 2.821 4.635 275 HG LEU 37 HG LEU 37 -2.003 3.030 6.778 276 1HD1 LEU 37 1HD1 LEU 37 -0.375 1.861 7.853 277 2HD1 LEU 37 2HD1 LEU 37 0.792 3.176 7.710 278 3HD1 LEU 37 3HD1 LEU 37 0.535 2.074 6.357 279 1HD2 LEU 37 1HD2 LEU 37 -1.587 5.569 6.861 280 2HD2 LEU 37 2HD2 LEU 37 0.009 5.170 7.497 281 3HD2 LEU 37 3HD2 LEU 37 -1.439 4.694 8.385 282 H LEU 38 H LEU 38 1.505 2.928 3.333 283 HA LEU 38 HA LEU 38 3.121 1.356 5.091 284 1HB LEU 38 1HB LEU 38 2.264 1.077 2.616 285 2HB LEU 38 2HB LEU 38 3.778 1.870 2.197 286 HG LEU 38 HG LEU 38 4.072 -0.555 2.154 287 1HD1 LEU 38 1HD1 LEU 38 5.726 1.200 3.402 288 2HD1 LEU 38 2HD1 LEU 38 6.108 -0.504 3.197 289 3HD1 LEU 38 3HD1 LEU 38 5.430 0.070 4.721 290 1HD2 LEU 38 1HD2 LEU 38 2.493 -0.345 4.605 291 2HD2 LEU 38 2HD2 LEU 38 3.929 -1.343 4.831 292 3HD2 LEU 38 3HD2 LEU 38 2.766 -1.745 3.569 293 H PHE 39 H PHE 39 3.882 4.207 3.095 294 HA PHE 39 HA PHE 39 6.698 4.197 3.965 295 1HB PHE 39 1HB PHE 39 5.224 6.258 2.329 296 2HB PHE 39 2HB PHE 39 6.943 5.852 2.267 297 HD1 PHE 39 1HD PHE 39 6.218 2.765 2.599 298 HD2 PHE 39 2HD PHE 39 5.036 5.849 -0.137 299 HE1 PHE 39 1HE PHE 39 5.690 1.046 0.907 300 HE2 PHE 39 2HE PHE 39 4.522 4.131 -1.841 301 HZ PHE 39 HZ PHE 39 4.822 1.716 -1.311 302 H VAL 40 H VAL 40 3.803 6.240 4.461 303 HA VAL 40 HA VAL 40 5.010 8.397 5.824 304 HB VAL 40 HB VAL 40 2.797 8.737 6.763 305 1HG1 VAL 40 1HG1 VAL 40 2.208 9.252 4.652 306 2HG1 VAL 40 2HG1 VAL 40 1.572 7.615 4.497 307 3HG1 VAL 40 3HG1 VAL 40 3.227 7.968 4.002 308 1HG2 VAL 40 1HG2 VAL 40 2.414 6.542 7.721 309 2HG2 VAL 40 2HG2 VAL 40 2.392 5.803 6.120 310 3HG2 VAL 40 3HG2 VAL 40 1.096 6.897 6.605 311 H ARG 41 H ARG 41 4.721 5.093 6.777 312 HA ARG 41 HA ARG 41 5.209 5.699 9.641 313 1HB ARG 41 1HB ARG 41 4.906 3.019 8.269 314 2HB ARG 41 2HB ARG 41 4.599 3.408 9.960 315 1HG ARG 41 1HG ARG 41 3.047 4.796 7.781 316 2HG ARG 41 2HG ARG 41 2.569 3.191 8.328 317 1HD ARG 41 1HD ARG 41 2.919 5.617 10.133 318 2HD ARG 41 2HD ARG 41 1.364 4.943 9.602 319 HE ARG 41 HE ARG 41 2.895 3.906 11.755 320 1HH1 ARG 41 1HH1 ARG 41 0.119 3.002 10.856 321 2HH1 ARG 41 2HH1 ARG 41 0.412 1.330 10.509 322 1HH2 ARG 41 1HH2 ARG 41 3.862 1.677 10.430 323 2HH2 ARG 41 2HH2 ARG 41 2.531 0.581 10.269 324 H GLY 42 H GLY 42 6.871 4.522 6.763 325 1HA GLY 42 1HA GLY 42 9.452 4.861 7.941 326 2HA GLY 42 2HA GLY 42 9.024 3.155 8.010 327 H ALA 43 H ALA 43 7.504 3.280 5.428 328 HA ALA 43 HA ALA 43 7.978 3.116 3.091 329 1HB ALA 43 1HB ALA 43 10.563 4.552 3.468 330 2HB ALA 43 2HB ALA 43 9.102 5.424 3.933 331 3HB ALA 43 3HB ALA 43 9.288 4.831 2.281 332 H GLY 44 H GLY 44 8.637 1.104 2.429 333 1HA GLY 44 1HA GLY 44 10.542 -0.290 1.715 334 2HA GLY 44 2HA GLY 44 11.397 0.234 3.166 335 H ASN 45 H ASN 45 8.010 -0.528 3.395 336 HA ASN 45 HA ASN 45 8.658 -3.218 4.541 337 1HB ASN 45 1HB ASN 45 6.880 -1.099 5.789 338 2HB ASN 45 2HB ASN 45 7.328 -2.649 6.502 339 1HD2 ASN 45 1HD2 ASN 45 8.651 0.522 5.505 340 2HD2 ASN 45 2HD2 ASN 45 10.033 0.434 6.486 341 H CYS 46 H CYS 46 7.643 -4.215 2.713 342 HA CYS 46 HA CYS 46 5.334 -3.715 1.331 343 1HB CYS 46 1HB CYS 46 6.778 -5.669 1.051 344 2HB CYS 46 2HB CYS 46 6.256 -6.307 2.604 345 HA PRO 47 HA PRO 47 2.013 -3.436 4.225 346 1HB PRO 47 1HB PRO 47 -0.026 -4.066 2.501 347 2HB PRO 47 2HB PRO 47 0.805 -2.514 2.513 348 1HG PRO 47 1HG PRO 47 1.248 -4.869 0.743 349 2HG PRO 47 2HG PRO 47 1.122 -3.154 0.312 350 1HD PRO 47 1HD PRO 47 3.496 -4.401 0.534 351 2HD PRO 47 2HD PRO 47 3.288 -2.703 1.006 352 H GLU 48 H GLU 48 3.149 -6.266 2.917 353 HA GLU 48 HA GLU 48 1.282 -7.883 4.571 354 1HB GLU 48 1HB GLU 48 2.089 -9.497 2.429 355 2HB GLU 48 2HB GLU 48 0.499 -8.812 2.671 356 1HG GLU 48 1HG GLU 48 2.124 -6.772 1.490 357 2HG GLU 48 2HG GLU 48 2.381 -8.255 0.585 358 H CYS 49 H CYS 49 4.295 -8.421 2.640 359 HA CYS 49 HA CYS 49 5.299 -10.053 4.916 360 1HB CYS 49 1HB CYS 49 6.730 -11.052 3.316 361 2HB CYS 49 2HB CYS 49 5.222 -10.773 2.467 362 H GLY 50 H GLY 50 5.281 -6.928 4.395 363 1HA GLY 50 1HA GLY 50 6.797 -5.127 4.677 364 2HA GLY 50 2HA GLY 50 7.125 -6.032 6.150 365 H THR 51 H THR 51 7.978 -7.318 2.976 366 HA THR 51 HA THR 51 10.621 -7.988 3.599 367 HB THR 51 HB THR 51 9.139 -7.212 1.090 368 HG1 THR 51 1HG THR 51 10.065 -9.501 2.374 369 1HG2 THR 51 1HG2 THR 51 11.652 -6.544 0.973 370 2HG2 THR 51 2HG2 THR 51 11.000 -7.554 -0.312 371 3HG2 THR 51 3HG2 THR 51 11.955 -8.280 0.977 372 HA PRO 52 HA PRO 52 12.676 -4.113 3.992 373 1HB PRO 52 1HB PRO 52 15.208 -4.834 3.210 374 2HB PRO 52 2HB PRO 52 14.516 -5.265 4.787 375 1HG PRO 52 1HG PRO 52 14.759 -6.895 2.294 376 2HG PRO 52 2HG PRO 52 15.027 -7.371 3.979 377 1HD PRO 52 1HD PRO 52 12.752 -7.957 2.603 378 2HD PRO 52 2HD PRO 52 12.779 -7.704 4.362 379 H LEU 53 H LEU 53 11.244 -3.567 1.964 380 HA LEU 53 HA LEU 53 12.238 -3.697 -0.694 381 1HB LEU 53 1HB LEU 53 10.376 -1.927 0.868 382 2HB LEU 53 2HB LEU 53 10.747 -1.522 -0.805 383 HG LEU 53 HG LEU 53 10.020 -3.821 -1.480 384 1HD1 LEU 53 1HD1 LEU 53 8.828 -5.206 0.155 385 2HD1 LEU 53 2HD1 LEU 53 9.143 -4.015 1.416 386 3HD1 LEU 53 3HD1 LEU 53 10.479 -4.917 0.701 387 1HD2 LEU 53 1HD2 LEU 53 7.538 -3.403 -0.620 388 2HD2 LEU 53 2HD2 LEU 53 8.281 -2.315 -1.793 389 3HD2 LEU 53 3HD2 LEU 53 8.225 -1.870 -0.088 390 H ARG 54 H ARG 54 13.995 -2.684 -1.596 391 HA ARG 54 HA ARG 54 15.936 -1.183 -0.353 392 1HB ARG 54 1HB ARG 54 16.227 -0.157 -2.714 393 2HB ARG 54 2HB ARG 54 16.268 -1.916 -2.584 394 1HG ARG 54 1HG ARG 54 13.538 -1.090 -2.884 395 2HG ARG 54 2HG ARG 54 14.498 -0.311 -4.142 396 1HD ARG 54 1HD ARG 54 14.346 -3.288 -3.542 397 2HD ARG 54 2HD ARG 54 13.819 -2.459 -5.021 398 HE ARG 54 HE ARG 54 16.256 -1.820 -5.326 399 1HH1 ARG 54 1HH1 ARG 54 15.885 -3.751 -2.584 400 2HH1 ARG 54 2HH1 ARG 54 17.174 -4.840 -2.970 401 1HH2 ARG 54 1HH2 ARG 54 17.704 -3.512 -6.129 402 2HH2 ARG 54 2HH2 ARG 54 18.204 -4.705 -4.977 403 H LYS 55 H LYS 55 12.766 -0.034 -1.362 404 HA LYS 55 HA LYS 55 12.883 2.307 0.288 405 1HB LYS 55 1HB LYS 55 13.205 3.997 -1.448 406 2HB LYS 55 2HB LYS 55 14.562 2.871 -1.506 407 1HG LYS 55 1HG LYS 55 14.078 2.459 -3.666 408 2HG LYS 55 2HG LYS 55 12.527 1.786 -3.161 409 1HD LYS 55 1HD LYS 55 11.415 3.861 -3.436 410 2HD LYS 55 2HD LYS 55 12.930 4.764 -3.458 411 1HE LYS 55 1HE LYS 55 12.783 2.719 -5.569 412 2HE LYS 55 2HE LYS 55 11.534 3.971 -5.712 413 1HZ LYS 55 1HZ LYS 55 13.961 4.370 -6.609 414 2HZ LYS 55 2HZ LYS 55 14.268 4.767 -4.985 415 3HZ LYS 55 3HZ LYS 55 13.095 5.624 -5.866 416 H SER 56 H SER 56 11.248 3.922 -1.572 417 HA SER 56 HA SER 56 8.710 2.527 -1.167 418 1HB SER 56 1HB SER 56 7.925 4.731 -2.308 419 2HB SER 56 2HB SER 56 8.712 4.855 -0.737 420 HG SER 56 HG SER 56 9.459 6.201 -2.673 421 H ASN 57 H ASN 57 9.559 0.743 -2.771 422 HA ASN 57 HA ASN 57 9.198 1.537 -5.629 423 1HB ASN 57 1HB ASN 57 10.150 -0.830 -5.938 424 2HB ASN 57 2HB ASN 57 11.226 0.341 -5.174 425 1HD2 ASN 57 1HD2 ASN 57 9.199 -2.504 -4.576 426 2HD2 ASN 57 2HD2 ASN 57 9.816 -2.833 -3.031 427 H PHE 58 H PHE 58 6.874 1.630 -5.700 428 HA PHE 58 HA PHE 58 5.527 -1.033 -5.399 429 1HB PHE 58 1HB PHE 58 4.604 1.748 -4.589 430 2HB PHE 58 2HB PHE 58 3.572 0.334 -4.515 431 HD1 PHE 58 1HD PHE 58 6.910 1.583 -3.360 432 HD2 PHE 58 2HD PHE 58 3.622 -1.088 -2.657 433 HE1 PHE 58 1HE PHE 58 7.917 0.899 -1.199 434 HE2 PHE 58 2HE PHE 58 4.627 -1.758 -0.494 435 HZ PHE 58 HZ PHE 58 6.774 -0.764 0.234 436 H ARG 59 H ARG 59 5.169 -1.624 -7.507 437 HA ARG 59 HA ARG 59 4.493 0.396 -9.565 438 1HB ARG 59 1HB ARG 59 4.707 -1.553 -11.074 439 2HB ARG 59 2HB ARG 59 6.096 -1.394 -10.010 440 1HG ARG 59 1HG ARG 59 4.867 -3.045 -8.449 441 2HG ARG 59 2HG ARG 59 3.819 -3.368 -9.827 442 1HD ARG 59 1HD ARG 59 6.817 -3.801 -9.646 443 2HD ARG 59 2HD ARG 59 5.558 -5.013 -9.953 444 HE ARG 59 HE ARG 59 5.284 -4.090 -12.174 445 1HH1 ARG 59 1HH2 ARG 59 8.363 -3.830 -11.301 446 2HH1 ARG 59 2HH2 ARG 59 8.737 -2.363 -12.141 447 1HH2 ARG 59 1HH1 ARG 59 5.424 -1.587 -12.806 448 2HH2 ARG 59 2HH1 ARG 59 7.073 -1.093 -12.995 449 H VAL 60 H VAL 60 2.440 1.052 -9.181 450 HA VAL 60 HA VAL 60 0.267 -0.823 -8.569 451 HB VAL 60 HB VAL 60 0.761 1.561 -7.692 452 1HG1 VAL 60 1HG1 VAL 60 0.975 2.642 -9.887 453 2HG1 VAL 60 2HG1 VAL 60 -0.376 3.340 -8.992 454 3HG1 VAL 60 3HG1 VAL 60 -0.680 2.182 -10.287 455 1HG2 VAL 60 1HG2 VAL 60 -1.961 0.616 -8.611 456 2HG2 VAL 60 2HG2 VAL 60 -1.736 2.003 -7.545 457 3HG2 VAL 60 3HG2 VAL 60 -1.230 0.396 -7.022 458 H GLN 61 H GLN 61 -1.687 -0.925 -9.772 459 HA GLN 61 HA GLN 61 -2.029 0.103 -12.438 460 1HB GLN 61 1HB GLN 61 -1.659 -2.157 -13.552 461 2HB GLN 61 2HB GLN 61 -0.188 -1.385 -12.958 462 1HG GLN 61 1HG GLN 61 -0.064 -3.657 -12.228 463 2HG GLN 61 2HG GLN 61 -0.531 -2.726 -10.804 464 1HE2 GLN 61 1HE2 GLN 61 -2.504 -3.875 -13.600 465 2HE2 GLN 61 2HE2 GLN 61 -3.619 -4.731 -12.649 466 H LEU 62 H LEU 62 -3.920 -1.216 -13.513 467 HA LEU 62 HA LEU 62 -5.531 -2.856 -11.686 468 1HB LEU 62 1HB LEU 62 -5.674 -0.083 -11.489 469 2HB LEU 62 2HB LEU 62 -7.058 -0.493 -12.504 470 HG LEU 62 HG LEU 62 -7.782 -2.160 -10.817 471 1HD1 LEU 62 1HD1 LEU 62 -5.344 -1.131 -9.344 472 2HD1 LEU 62 2HD1 LEU 62 -5.686 -2.792 -9.822 473 3HD1 LEU 62 3HD1 LEU 62 -6.639 -2.026 -8.552 474 1HD2 LEU 62 1HD2 LEU 62 -7.703 0.707 -10.492 475 2HD2 LEU 62 2HD2 LEU 62 -7.664 -0.069 -8.909 476 3HD2 LEU 62 3HD2 LEU 62 -8.979 -0.421 -10.031 477 H PHE 63 H PHE 63 -4.617 -3.611 -14.141 478 HA PHE 63 HA PHE 63 -6.960 -3.264 -15.983 479 1HB PHE 63 1HB PHE 63 -4.464 -2.530 -16.483 480 2HB PHE 63 2HB PHE 63 -4.250 -4.247 -16.827 481 HD1 PHE 63 1HD PHE 63 -5.381 -5.310 -18.708 482 HD2 PHE 63 2HD PHE 63 -5.965 -1.144 -17.839 483 HE1 PHE 63 1HE PHE 63 -6.428 -4.992 -20.934 484 HE2 PHE 63 2HE PHE 63 -7.012 -0.827 -20.065 485 HZ PHE 63 HZ PHE 63 -7.244 -2.751 -21.612 486 H GLU 64 H GLU 64 -8.014 -5.065 -14.755 487 HA GLU 64 HA GLU 64 -7.123 -7.613 -14.213 488 1HB GLU 64 1HB GLU 64 -9.688 -6.587 -15.439 489 2HB GLU 64 2HB GLU 64 -9.502 -8.277 -14.966 490 1HG GLU 64 1HG GLU 64 -8.762 -7.387 -12.676 491 2HG GLU 64 2HG GLU 64 -9.374 -5.820 -13.208 492 H ASP 65 H ASP 65 -5.596 -8.559 -15.595 493 HA ASP 65 HA ASP 65 -6.211 -8.757 -18.499 494 1HB ASP 65 1HB ASP 65 -3.971 -8.052 -17.417 495 2HB ASP 65 2HB ASP 65 -3.773 -9.759 -17.017 Start of MODEL 17 1 1H MET 1 1HT MET 1 -10.010 -3.595 -9.284 2 2H MET 1 2HT MET 1 -9.596 -4.709 -10.500 3 3H MET 1 3HT MET 1 -8.782 -4.732 -9.008 4 HA MET 1 HA MET 1 -11.676 -5.335 -9.370 5 1HB MET 1 1HB MET 1 -9.883 -6.870 -10.396 6 2HB MET 1 2HB MET 1 -9.380 -7.203 -8.738 7 1HG MET 1 1HG MET 1 -10.934 -8.926 -9.262 8 2HG MET 1 2HG MET 1 -11.849 -7.775 -8.287 9 1HE MET 1 1HE MET 1 -13.705 -6.174 -9.182 10 2HE MET 1 2HE MET 1 -14.084 -7.846 -8.780 11 3HE MET 1 3HE MET 1 -14.805 -7.106 -10.207 12 H ASP 2 H ASP 2 -12.570 -4.595 -7.469 13 HA ASP 2 HA ASP 2 -11.286 -4.037 -5.025 14 1HB ASP 2 1HB ASP 2 -13.650 -4.379 -4.126 15 2HB ASP 2 2HB ASP 2 -13.520 -3.296 -5.512 16 H ASP 3 H ASP 3 -11.990 -7.136 -6.424 17 HA ASP 3 HA ASP 3 -12.482 -8.934 -4.423 18 1HB ASP 3 1HB ASP 3 -10.483 -8.903 -6.680 19 2HB ASP 3 2HB ASP 3 -10.628 -10.323 -5.643 20 H GLN 4 H GLN 4 -9.074 -8.105 -5.176 21 HA GLN 4 HA GLN 4 -8.253 -8.858 -2.450 22 1HB GLN 4 1HB GLN 4 -7.129 -8.844 -4.990 23 2HB GLN 4 2HB GLN 4 -6.329 -7.485 -4.198 24 1HG GLN 4 1HG GLN 4 -6.599 -10.040 -2.666 25 2HG GLN 4 2HG GLN 4 -5.398 -9.975 -3.957 26 1HE2 GLN 4 1HE2 GLN 4 -3.469 -8.806 -3.545 27 2HE2 GLN 4 2HE2 GLN 4 -3.183 -7.935 -2.116 28 H GLY 5 H GLY 5 -10.058 -6.769 -2.285 29 1HA GLY 5 1HA GLY 5 -9.376 -4.134 -2.471 30 2HA GLY 5 2HA GLY 5 -10.205 -4.761 -1.051 31 H CYS 6 H CYS 6 -8.091 -2.649 -1.399 32 HA CYS 6 HA CYS 6 -5.554 -2.971 -0.655 33 1HB CYS 6 1HB CYS 6 -6.356 -0.808 -0.491 34 2HB CYS 6 2HB CYS 6 -7.792 -1.302 0.397 35 HA PRO 7 HA PRO 7 -5.472 -5.513 3.002 36 1HB PRO 7 1HB PRO 7 -2.761 -5.460 3.326 37 2HB PRO 7 2HB PRO 7 -3.562 -6.407 2.058 38 1HG PRO 7 1HG PRO 7 -1.988 -3.938 1.856 39 2HG PRO 7 2HG PRO 7 -2.360 -5.141 0.617 40 1HD PRO 7 1HD PRO 7 -3.595 -2.586 1.053 41 2HD PRO 7 2HD PRO 7 -3.955 -3.787 -0.205 42 H ARG 8 H ARG 8 -3.341 -2.615 2.979 43 HA ARG 8 HA ARG 8 -3.290 -2.361 5.876 44 1HB ARG 8 1HB ARG 8 -1.726 -1.569 3.829 45 2HB ARG 8 2HB ARG 8 -2.646 -0.082 4.061 46 1HG ARG 8 1HG ARG 8 -1.707 0.339 6.103 47 2HG ARG 8 2HG ARG 8 -1.601 -1.373 6.524 48 1HD ARG 8 1HD ARG 8 0.490 -1.591 5.581 49 2HD ARG 8 2HD ARG 8 0.111 -0.473 4.254 50 HE ARG 8 HE ARG 8 1.166 1.151 5.617 51 1HH1 ARG 8 1HH2 ARG 8 2.014 -0.773 7.740 52 2HH1 ARG 8 2HH2 ARG 8 1.209 -0.152 9.143 53 1HH2 ARG 8 1HH1 ARG 8 -1.004 1.807 7.329 54 2HH2 ARG 8 2HH1 ARG 8 -0.501 1.309 8.910 55 H CYS 9 H CYS 9 -4.430 0.081 3.528 56 HA CYS 9 HA CYS 9 -6.361 1.077 5.557 57 1HB CYS 9 1HB CYS 9 -6.679 2.590 3.222 58 2HB CYS 9 2HB CYS 9 -5.738 3.039 4.630 59 H LYS 10 H LYS 10 -7.553 -1.150 5.123 60 HA LYS 10 HA LYS 10 -8.842 -1.866 2.788 61 1HB LYS 10 1HB LYS 10 -10.274 -3.105 4.180 62 2HB LYS 10 2HB LYS 10 -8.874 -2.825 5.210 63 1HG LYS 10 1HG LYS 10 -10.225 -0.656 5.900 64 2HG LYS 10 2HG LYS 10 -11.601 -1.606 5.337 65 1HD LYS 10 1HD LYS 10 -9.767 -3.152 7.023 66 2HD LYS 10 2HD LYS 10 -10.453 -1.760 7.863 67 1HE LYS 10 1HE LYS 10 -12.165 -3.285 8.234 68 2HE LYS 10 2HE LYS 10 -12.691 -2.686 6.648 69 1HZ LYS 10 1HZ LYS 10 -11.319 -5.184 7.352 70 2HZ LYS 10 2HZ LYS 10 -10.930 -4.465 5.863 71 3HZ LYS 10 3HZ LYS 10 -12.535 -4.912 6.200 72 H THR 11 H THR 11 -9.275 0.063 1.573 73 HA THR 11 HA THR 11 -11.970 1.003 1.584 74 HB THR 11 HB THR 11 -11.172 2.045 3.722 75 HG1 THR 11 1HG THR 11 -11.594 3.826 1.558 76 1HG2 THR 11 1HG2 THR 11 -9.056 2.791 3.781 77 2HG2 THR 11 2HG2 THR 11 -9.506 4.072 2.653 78 3HG2 THR 11 3HG2 THR 11 -8.903 2.528 2.043 79 H THR 12 H THR 12 -10.126 0.155 -0.385 80 HA THR 12 HA THR 12 -9.506 2.708 -1.821 81 HB THR 12 HB THR 12 -7.553 1.476 -2.676 82 HG1 THR 12 1HG THR 12 -8.855 -0.606 -2.218 83 1HG2 THR 12 1HG2 THR 12 -8.165 2.183 0.044 84 2HG2 THR 12 2HG2 THR 12 -6.660 2.407 -0.846 85 3HG2 THR 12 3HG2 THR 12 -6.965 0.890 0.005 86 H LYS 13 H LYS 13 -8.664 0.403 -3.934 87 HA LYS 13 HA LYS 13 -10.669 0.850 -5.786 88 1HB LYS 13 1HB LYS 13 -9.344 -0.573 -6.956 89 2HB LYS 13 2HB LYS 13 -8.397 -0.727 -5.489 90 1HG LYS 13 1HG LYS 13 -10.810 -2.474 -5.845 91 2HG LYS 13 2HG LYS 13 -9.312 -2.880 -6.672 92 1HD LYS 13 1HD LYS 13 -8.296 -2.364 -4.246 93 2HD LYS 13 2HD LYS 13 -9.920 -2.836 -3.745 94 1HE LYS 13 1HE LYS 13 -8.198 -4.736 -3.886 95 2HE LYS 13 2HE LYS 13 -9.692 -5.002 -4.801 96 1HZ LYS 13 1HZ LYS 13 -7.225 -5.122 -5.866 97 2HZ LYS 13 2HZ LYS 13 -7.630 -3.502 -6.184 98 3HZ LYS 13 3HZ LYS 13 -8.621 -4.756 -6.755 99 H TYR 14 H TYR 14 -10.823 -1.133 -2.915 100 HA TYR 14 HA TYR 14 -13.260 -2.537 -3.685 101 1HB TYR 14 1HB TYR 14 -11.389 -3.165 -1.978 102 2HB TYR 14 2HB TYR 14 -12.269 -2.112 -0.880 103 HD1 TYR 14 1HD TYR 14 -11.922 -5.060 -0.402 104 HD2 TYR 14 2HD TYR 14 -14.974 -2.882 -2.498 105 HE1 TYR 14 1HE TYR 14 -13.535 -6.889 0.045 106 HE2 TYR 14 2HE TYR 14 -16.587 -4.711 -2.048 107 HH TYR 14 HH TYR 14 -16.906 -6.688 -1.110 108 H ARG 15 H ARG 15 -12.461 0.116 -1.468 109 HA ARG 15 HA ARG 15 -15.312 0.905 -1.231 110 1HB ARG 15 1HB ARG 15 -12.668 1.591 0.014 111 2HB ARG 15 2HB ARG 15 -14.013 2.700 0.218 112 1HG ARG 15 1HG ARG 15 -13.780 0.993 2.068 113 2HG ARG 15 2HG ARG 15 -15.351 0.983 1.267 114 1HD ARG 15 1HD ARG 15 -14.585 -1.323 1.506 115 2HD ARG 15 2HD ARG 15 -14.488 -0.891 -0.207 116 HE ARG 15 HE ARG 15 -12.058 -0.583 0.089 117 1HH1 ARG 15 1HH1 ARG 15 -13.578 -1.185 3.082 118 2HH1 ARG 15 2HH1 ARG 15 -12.306 -2.187 3.699 119 1HH2 ARG 15 1HH2 ARG 15 -10.509 -2.186 0.734 120 2HH2 ARG 15 2HH2 ARG 15 -10.569 -2.753 2.369 121 H ASN 16 H ASN 16 -12.250 2.549 -1.870 122 HA ASN 16 HA ASN 16 -13.362 4.794 -3.308 123 1HB ASN 16 1HB ASN 16 -10.887 3.759 -2.244 124 2HB ASN 16 2HB ASN 16 -10.596 4.375 -3.861 125 1HD2 ASN 16 1HD2 ASN 16 -9.307 5.941 -2.278 126 2HD2 ASN 16 2HD2 ASN 16 -10.150 7.333 -1.789 127 HA PRO 17 HA PRO 17 -13.558 2.264 -7.044 128 1HB PRO 17 1HB PRO 17 -15.381 3.847 -8.332 129 2HB PRO 17 2HB PRO 17 -15.833 2.648 -7.106 130 1HG PRO 17 1HG PRO 17 -15.680 5.595 -6.924 131 2HG PRO 17 2HG PRO 17 -16.707 4.460 -6.041 132 1HD PRO 17 1HD PRO 17 -14.367 5.713 -5.094 133 2HD PRO 17 2HD PRO 17 -15.243 4.375 -4.320 134 H SER 18 H SER 18 -11.546 4.448 -6.522 135 HA SER 18 HA SER 18 -10.940 5.070 -9.351 136 1HB SER 18 1HB SER 18 -10.520 7.509 -8.455 137 2HB SER 18 2HB SER 18 -12.164 7.019 -8.855 138 HG SER 18 HG SER 18 -12.239 7.908 -6.837 139 H LEU 19 H LEU 19 -9.813 3.385 -7.210 140 HA LEU 19 HA LEU 19 -7.155 4.726 -6.830 141 1HB LEU 19 1HB LEU 19 -8.452 4.439 -4.771 142 2HB LEU 19 2HB LEU 19 -8.694 2.733 -5.136 143 HG LEU 19 HG LEU 19 -5.897 3.793 -4.993 144 1HD1 LEU 19 1HD1 LEU 19 -6.617 4.664 -2.943 145 2HD1 LEU 19 2HD1 LEU 19 -6.079 3.045 -2.497 146 3HD1 LEU 19 3HD1 LEU 19 -7.798 3.376 -2.706 147 1HD2 LEU 19 1HD2 LEU 19 -5.676 1.577 -5.447 148 2HD2 LEU 19 2HD2 LEU 19 -7.322 1.217 -4.932 149 3HD2 LEU 19 3HD2 LEU 19 -6.034 1.356 -3.736 150 H LYS 20 H LYS 20 -5.300 3.275 -6.962 151 HA LYS 20 HA LYS 20 -5.866 0.694 -8.383 152 1HB LYS 20 1HB LYS 20 -3.563 1.336 -9.491 153 2HB LYS 20 2HB LYS 20 -5.040 2.106 -10.065 154 1HG LYS 20 1HG LYS 20 -4.601 4.029 -8.560 155 2HG LYS 20 2HG LYS 20 -3.105 3.262 -8.031 156 1HD LYS 20 1HD LYS 20 -2.311 4.652 -9.722 157 2HD LYS 20 2HD LYS 20 -2.610 3.170 -10.629 158 1HE LYS 20 1HE LYS 20 -3.608 5.016 -11.868 159 2HE LYS 20 2HE LYS 20 -4.935 4.087 -11.142 160 1HZ LYS 20 1HZ LYS 20 -3.718 6.136 -9.469 161 2HZ LYS 20 2HZ LYS 20 -5.353 5.710 -9.641 162 3HZ LYS 20 3HZ LYS 20 -4.609 6.716 -10.790 163 H LEU 21 H LEU 21 -4.313 -1.004 -7.952 164 HA LEU 21 HA LEU 21 -2.917 -0.659 -5.340 165 1HB LEU 21 1HB LEU 21 -4.142 -2.897 -6.913 166 2HB LEU 21 2HB LEU 21 -2.888 -3.287 -5.739 167 HG LEU 21 HG LEU 21 -4.173 -2.503 -3.926 168 1HD1 LEU 21 1HD1 LEU 21 -4.790 -0.325 -5.054 169 2HD1 LEU 21 2HD1 LEU 21 -6.106 -1.042 -4.123 170 3HD1 LEU 21 3HD1 LEU 21 -6.088 -1.187 -5.881 171 1HD2 LEU 21 1HD2 LEU 21 -5.256 -4.482 -4.411 172 2HD2 LEU 21 2HD2 LEU 21 -5.764 -3.936 -6.009 173 3HD2 LEU 21 3HD2 LEU 21 -6.608 -3.360 -4.570 174 H MET 22 H MET 22 -0.669 -0.932 -5.186 175 HA MET 22 HA MET 22 0.736 -1.410 -7.774 176 1HB MET 22 1HB MET 22 2.356 -0.362 -5.612 177 2HB MET 22 2HB MET 22 2.058 0.337 -7.179 178 1HG MET 22 1HG MET 22 -0.068 1.287 -6.358 179 2HG MET 22 2HG MET 22 0.242 0.591 -4.770 180 1HE MET 22 1HE MET 22 -0.486 3.209 -5.806 181 2HE MET 22 2HE MET 22 0.757 4.376 -6.251 182 3HE MET 22 3HE MET 22 0.258 4.230 -4.567 183 H VAL 23 H VAL 23 2.241 -3.029 -7.911 184 HA VAL 23 HA VAL 23 2.410 -4.906 -5.594 185 HB VAL 23 HB VAL 23 2.723 -5.052 -8.584 186 1HG1 VAL 23 1HG1 VAL 23 3.652 -7.152 -6.600 187 2HG1 VAL 23 2HG1 VAL 23 4.695 -6.213 -7.668 188 3HG1 VAL 23 3HG1 VAL 23 3.552 -7.371 -8.348 189 1HG2 VAL 23 1HG2 VAL 23 1.177 -6.661 -6.529 190 2HG2 VAL 23 2HG2 VAL 23 1.126 -6.927 -8.272 191 3HG2 VAL 23 3HG2 VAL 23 0.509 -5.422 -7.593 192 H ASN 24 H ASN 24 4.706 -6.046 -5.524 193 HA ASN 24 HA ASN 24 6.878 -4.116 -6.184 194 1HB ASN 24 1HB ASN 24 7.664 -4.579 -3.741 195 2HB ASN 24 2HB ASN 24 6.367 -3.413 -4.013 196 1HD2 ASN 24 1HD2 ASN 24 4.771 -3.713 -2.464 197 2HD2 ASN 24 2HD2 ASN 24 4.230 -5.214 -1.888 198 H VAL 25 H VAL 25 9.034 -5.111 -5.415 199 HA VAL 25 HA VAL 25 9.897 -7.219 -6.864 200 HB VAL 25 HB VAL 25 11.429 -5.969 -5.576 201 1HG1 VAL 25 1HG1 VAL 25 10.929 -5.158 -3.541 202 2HG1 VAL 25 2HG1 VAL 25 10.814 -6.786 -2.875 203 3HG1 VAL 25 3HG1 VAL 25 9.401 -6.032 -3.611 204 1HG2 VAL 25 1HG2 VAL 25 11.702 -8.591 -5.650 205 2HG2 VAL 25 2HG2 VAL 25 11.439 -8.456 -3.911 206 3HG2 VAL 25 3HG2 VAL 25 12.791 -7.612 -4.666 207 H CYS 26 H CYS 26 8.868 -7.789 -3.439 208 HA CYS 26 HA CYS 26 8.876 -10.657 -3.772 209 1HB CYS 26 1HB CYS 26 7.698 -10.512 -1.534 210 2HB CYS 26 2HB CYS 26 9.211 -9.612 -1.622 211 H GLY 27 H GLY 27 6.746 -8.351 -4.957 212 1HA GLY 27 1HA GLY 27 4.808 -8.852 -6.271 213 2HA GLY 27 2HA GLY 27 4.728 -10.438 -5.503 214 H HIS 28 H HIS 28 3.281 -10.687 -3.858 215 HA HIS 28 HA HIS 28 1.453 -10.108 -2.481 216 1HB HIS 28 1HB HIS 28 3.671 -8.162 -1.807 217 2HB HIS 28 2HB HIS 28 2.210 -8.302 -0.829 218 HD2 HIS 28 2HD HIS 28 1.885 -11.576 -0.978 219 HE1 HIS 28 1HE HIS 28 5.757 -11.732 0.673 220 HE2 HIS 28 2HE HIS 28 3.647 -13.057 0.233 221 H THR 29 H THR 29 1.260 -7.044 -1.723 222 HA THR 29 HA THR 29 0.553 -5.701 -4.183 223 HB THR 29 HB THR 29 -1.349 -7.522 -2.802 224 HG1 THR 29 1HG THR 29 -0.326 -7.542 -5.036 225 1HG2 THR 29 1HG2 THR 29 -2.619 -5.597 -2.332 226 2HG2 THR 29 2HG2 THR 29 -3.245 -6.107 -3.900 227 3HG2 THR 29 3HG2 THR 29 -2.091 -4.777 -3.802 228 H LEU 30 H LEU 30 0.077 -3.543 -3.763 229 HA LEU 30 HA LEU 30 -0.503 -2.733 -0.932 230 1HB LEU 30 1HB LEU 30 1.946 -2.722 -1.679 231 2HB LEU 30 2HB LEU 30 1.517 -1.413 -2.759 232 HG LEU 30 HG LEU 30 0.620 -0.227 -0.705 233 1HD1 LEU 30 1HD1 LEU 30 2.104 -2.472 0.618 234 2HD1 LEU 30 2HD1 LEU 30 0.405 -2.047 0.813 235 3HD1 LEU 30 3HD1 LEU 30 1.659 -0.980 1.442 236 1HD2 LEU 30 1HD2 LEU 30 2.694 0.742 -0.278 237 2HD2 LEU 30 2HD2 LEU 30 2.954 0.002 -1.855 238 3HD2 LEU 30 3HD2 LEU 30 3.537 -0.797 -0.395 239 H CYS 31 H CYS 31 -2.622 -1.949 -1.409 240 HA CYS 31 HA CYS 31 -3.568 -0.732 -3.715 241 1HB CYS 31 1HB CYS 31 -5.387 -0.333 -2.410 242 2HB CYS 31 2HB CYS 31 -4.479 -1.185 -1.176 243 H GLU 32 H GLU 32 -4.063 1.708 -3.993 244 HA GLU 32 HA GLU 32 -1.532 3.111 -4.108 245 1HB GLU 32 1HB GLU 32 -2.767 4.417 -5.496 246 2HB GLU 32 2HB GLU 32 -4.119 3.343 -5.168 247 1HG GLU 32 1HG GLU 32 -4.793 4.762 -3.264 248 2HG GLU 32 2HG GLU 32 -3.427 5.831 -3.575 249 H SER 33 H SER 33 -4.345 3.303 -1.960 250 HA SER 33 HA SER 33 -3.397 5.421 -0.296 251 1HB SER 33 1HB SER 33 -5.207 3.143 0.544 252 2HB SER 33 2HB SER 33 -5.251 4.821 1.074 253 HG SER 33 HG SER 33 -6.570 5.155 -0.492 254 H CYS 34 H CYS 34 -2.211 2.190 -0.583 255 HA CYS 34 HA CYS 34 -1.400 1.966 2.250 256 1HB CYS 34 1HB CYS 34 -1.107 0.354 -0.275 257 2HB CYS 34 2HB CYS 34 -0.015 0.056 1.075 258 H VAL 35 H VAL 35 0.359 2.121 -0.870 259 HA VAL 35 HA VAL 35 2.961 2.491 -0.025 260 HB VAL 35 HB VAL 35 1.279 3.200 -2.323 261 1HG1 VAL 35 1HG1 VAL 35 3.081 4.715 -3.310 262 2HG1 VAL 35 2HG1 VAL 35 3.681 4.919 -1.664 263 3HG1 VAL 35 3HG1 VAL 35 2.053 5.452 -2.082 264 1HG2 VAL 35 1HG2 VAL 35 3.933 2.717 -3.098 265 2HG2 VAL 35 2HG2 VAL 35 2.606 1.554 -3.058 266 3HG2 VAL 35 3HG2 VAL 35 3.669 1.724 -1.669 267 H ASP 36 H ASP 36 0.298 4.735 0.362 268 HA ASP 36 HA ASP 36 1.933 7.057 0.989 269 1HB ASP 36 1HB ASP 36 -0.113 8.033 0.831 270 2HB ASP 36 2HB ASP 36 -0.734 6.444 0.407 271 H LEU 37 H LEU 37 -0.075 4.914 3.095 272 HA LEU 37 HA LEU 37 1.186 5.980 5.501 273 1HB LEU 37 1HB LEU 37 -0.846 3.927 4.745 274 2HB LEU 37 2HB LEU 37 -0.127 3.818 6.353 275 HG LEU 37 HG LEU 37 -0.701 6.536 6.031 276 1HD1 LEU 37 1HD1 LEU 37 -3.361 5.542 5.583 277 2HD1 LEU 37 2HD1 LEU 37 -2.333 5.059 4.235 278 3HD1 LEU 37 3HD1 LEU 37 -2.477 6.762 4.669 279 1HD2 LEU 37 1HD2 LEU 37 -2.803 5.598 7.499 280 2HD2 LEU 37 2HD2 LEU 37 -1.176 5.811 8.145 281 3HD2 LEU 37 3HD2 LEU 37 -1.703 4.223 7.587 282 H LEU 38 H LEU 38 1.558 3.109 3.507 283 HA LEU 38 HA LEU 38 3.113 1.471 5.171 284 1HB LEU 38 1HB LEU 38 2.146 1.329 2.697 285 2HB LEU 38 2HB LEU 38 3.791 1.802 2.274 286 HG LEU 38 HG LEU 38 3.830 -0.572 2.288 287 1HD1 LEU 38 1HD1 LEU 38 5.556 0.713 3.777 288 2HD1 LEU 38 2HD1 LEU 38 5.459 -1.042 3.910 289 3HD1 LEU 38 3HD1 LEU 38 4.685 -0.022 5.123 290 1HD2 LEU 38 1HD2 LEU 38 2.921 -1.880 4.217 291 2HD2 LEU 38 2HD2 LEU 38 1.679 -0.959 3.370 292 3HD2 LEU 38 3HD2 LEU 38 2.313 -0.377 4.909 293 H PHE 39 H PHE 39 4.340 3.933 2.852 294 HA PHE 39 HA PHE 39 7.042 3.586 3.932 295 1HB PHE 39 1HB PHE 39 6.068 5.499 1.818 296 2HB PHE 39 2HB PHE 39 7.702 4.866 2.024 297 HD1 PHE 39 1HD PHE 39 6.023 4.630 -0.523 298 HD2 PHE 39 2HD PHE 39 6.491 2.026 2.860 299 HE1 PHE 39 1HE PHE 39 5.409 2.682 -1.927 300 HE2 PHE 39 2HE PHE 39 5.877 0.081 1.456 301 HZ PHE 39 HZ PHE 39 5.306 0.411 -0.929 302 H VAL 40 H VAL 40 4.510 6.065 4.178 303 HA VAL 40 HA VAL 40 6.176 8.202 5.035 304 HB VAL 40 HB VAL 40 4.102 8.975 6.221 305 1HG1 VAL 40 1HG1 VAL 40 2.646 8.674 4.031 306 2HG1 VAL 40 2HG1 VAL 40 4.163 8.045 3.389 307 3HG1 VAL 40 3HG1 VAL 40 4.090 9.686 4.031 308 1HG2 VAL 40 1HG2 VAL 40 2.071 7.549 5.902 309 2HG2 VAL 40 2HG2 VAL 40 3.249 6.866 7.020 310 3HG2 VAL 40 3HG2 VAL 40 3.128 6.241 5.377 311 H ARG 41 H ARG 41 5.505 5.193 6.619 312 HA ARG 41 HA ARG 41 6.435 6.310 9.238 313 1HB ARG 41 1HB ARG 41 5.778 3.476 9.236 314 2HB ARG 41 2HB ARG 41 5.056 4.778 10.173 315 1HG ARG 41 1HG ARG 41 3.857 5.355 7.899 316 2HG ARG 41 2HG ARG 41 4.231 3.674 7.518 317 1HD ARG 41 1HD ARG 41 3.079 4.126 10.216 318 2HD ARG 41 2HD ARG 41 1.980 4.421 8.853 319 HE ARG 41 HE ARG 41 1.946 2.063 8.648 320 1HH1 ARG 41 1HH2 ARG 41 3.544 1.537 11.110 321 2HH1 ARG 41 2HH2 ARG 41 4.922 0.695 10.485 322 1HH2 ARG 41 1HH1 ARG 41 4.370 1.683 7.207 323 2HH2 ARG 41 2HH1 ARG 41 5.390 0.777 8.274 324 H GLY 42 H GLY 42 7.145 3.649 6.932 325 1HA GLY 42 1HA GLY 42 9.939 3.678 7.979 326 2HA GLY 42 2HA GLY 42 9.085 2.146 7.824 327 H ALA 43 H ALA 43 7.787 2.591 5.324 328 HA ALA 43 HA ALA 43 8.252 2.581 2.974 329 1HB ALA 43 1HB ALA 43 10.940 3.778 3.504 330 2HB ALA 43 2HB ALA 43 9.520 4.725 3.946 331 3HB ALA 43 3HB ALA 43 9.748 4.205 2.277 332 H GLY 44 H GLY 44 8.459 0.252 3.011 333 1HA GLY 44 1HA GLY 44 10.134 -1.227 1.812 334 2HA GLY 44 2HA GLY 44 11.290 -0.706 3.037 335 H ASN 45 H ASN 45 7.883 -1.828 3.220 336 HA ASN 45 HA ASN 45 8.781 -4.172 4.810 337 1HB ASN 45 1HB ASN 45 7.542 -1.697 5.822 338 2HB ASN 45 2HB ASN 45 6.756 -3.174 6.378 339 1HD2 ASN 45 1HD2 ASN 45 7.868 -4.444 7.940 340 2HD2 ASN 45 2HD2 ASN 45 9.410 -4.060 8.535 341 H CYS 46 H CYS 46 6.948 -3.141 2.342 342 HA CYS 46 HA CYS 46 5.016 -3.987 1.241 343 1HB CYS 46 1HB CYS 46 6.664 -5.958 1.990 344 2HB CYS 46 2HB CYS 46 5.297 -6.393 3.004 345 HA PRO 47 HA PRO 47 1.709 -3.498 4.184 346 1HB PRO 47 1HB PRO 47 -0.413 -4.330 2.701 347 2HB PRO 47 2HB PRO 47 0.448 -2.845 2.380 348 1HG PRO 47 1HG PRO 47 0.500 -5.408 0.941 349 2HG PRO 47 2HG PRO 47 0.771 -3.784 0.320 350 1HD PRO 47 1HD PRO 47 2.688 -5.723 1.001 351 2HD PRO 47 2HD PRO 47 3.018 -4.044 0.534 352 H GLU 48 H GLU 48 3.066 -6.306 3.474 353 HA GLU 48 HA GLU 48 1.397 -7.855 5.346 354 1HB GLU 48 1HB GLU 48 1.390 -9.709 3.583 355 2HB GLU 48 2HB GLU 48 0.363 -8.327 3.243 356 1HG GLU 48 1HG GLU 48 1.445 -8.516 1.204 357 2HG GLU 48 2HG GLU 48 2.580 -7.447 2.026 358 H CYS 49 H CYS 49 4.303 -7.915 3.195 359 HA CYS 49 HA CYS 49 5.672 -9.442 5.367 360 1HB CYS 49 1HB CYS 49 6.722 -10.741 3.790 361 2HB CYS 49 2HB CYS 49 5.284 -10.354 2.876 362 H GLY 50 H GLY 50 6.760 -8.004 6.536 363 1HA GLY 50 1HA GLY 50 7.731 -5.474 5.709 364 2HA GLY 50 2HA GLY 50 8.228 -6.311 7.168 365 H THR 51 H THR 51 8.699 -6.802 3.628 366 HA THR 51 HA THR 51 11.287 -8.012 3.944 367 HB THR 51 HB THR 51 9.843 -8.215 1.940 368 HG1 THR 51 1HG THR 51 12.076 -8.476 1.679 369 1HG2 THR 51 1HG2 THR 51 9.557 -6.347 0.410 370 2HG2 THR 51 2HG2 THR 51 10.552 -5.312 1.438 371 3HG2 THR 51 3HG2 THR 51 8.979 -5.873 2.008 372 HA PRO 52 HA PRO 52 13.634 -4.438 4.935 373 1HB PRO 52 1HB PRO 52 16.103 -5.324 4.126 374 2HB PRO 52 2HB PRO 52 15.309 -5.861 5.620 375 1HG PRO 52 1HG PRO 52 15.465 -7.197 2.951 376 2HG PRO 52 2HG PRO 52 15.629 -7.898 4.570 377 1HD PRO 52 1HD PRO 52 13.350 -8.074 3.095 378 2HD PRO 52 2HD PRO 52 13.346 -8.018 4.873 379 H LEU 53 H LEU 53 12.371 -3.425 2.979 380 HA LEU 53 HA LEU 53 13.993 -3.171 0.513 381 1HB LEU 53 1HB LEU 53 11.239 -2.629 1.476 382 2HB LEU 53 2HB LEU 53 11.842 -1.510 0.251 383 HG LEU 53 HG LEU 53 11.977 -4.528 -0.025 384 1HD1 LEU 53 1HD1 LEU 53 9.885 -2.544 -0.942 385 2HD1 LEU 53 2HD1 LEU 53 9.647 -3.997 0.030 386 3HD1 LEU 53 3HD1 LEU 53 10.077 -4.138 -1.675 387 1HD2 LEU 53 1HD2 LEU 53 13.492 -3.737 -1.575 388 2HD2 LEU 53 2HD2 LEU 53 12.711 -2.161 -1.689 389 3HD2 LEU 53 3HD2 LEU 53 12.019 -3.550 -2.526 390 H ARG 54 H ARG 54 13.818 -0.581 -0.237 391 HA ARG 54 HA ARG 54 14.290 1.303 1.946 392 1HB ARG 54 1HB ARG 54 16.394 -0.409 1.022 393 2HB ARG 54 2HB ARG 54 16.781 1.246 0.552 394 1HG ARG 54 1HG ARG 54 16.354 1.974 2.897 395 2HG ARG 54 2HG ARG 54 16.068 0.291 3.344 396 1HD ARG 54 1HD ARG 54 18.406 0.947 3.855 397 2HD ARG 54 2HD ARG 54 18.379 -0.271 2.563 398 HE ARG 54 HE ARG 54 18.176 2.318 1.375 399 1HH1 ARG 54 1HH1 ARG 54 20.257 -0.161 1.396 400 2HH1 ARG 54 2HH1 ARG 54 21.722 0.762 1.461 401 1HH2 ARG 54 1HH2 ARG 54 20.123 3.747 2.206 402 2HH2 ARG 54 2HH2 ARG 54 21.646 2.973 1.919 403 H LYS 55 H LYS 55 12.632 1.396 -0.384 404 HA LYS 55 HA LYS 55 13.325 3.963 -1.457 405 1HB LYS 55 1HB LYS 55 14.502 3.449 -3.364 406 2HB LYS 55 2HB LYS 55 14.965 2.047 -2.410 407 1HG LYS 55 1HG LYS 55 12.833 2.198 -4.553 408 2HG LYS 55 2HG LYS 55 14.293 1.214 -4.549 409 1HD LYS 55 1HD LYS 55 12.825 0.581 -2.185 410 2HD LYS 55 2HD LYS 55 11.698 0.544 -3.535 411 1HE LYS 55 1HE LYS 55 14.242 -1.056 -3.183 412 2HE LYS 55 2HE LYS 55 12.597 -1.649 -3.483 413 1HZ LYS 55 1HZ LYS 55 12.958 0.030 -5.540 414 2HZ LYS 55 2HZ LYS 55 13.283 -1.635 -5.623 415 3HZ LYS 55 3HZ LYS 55 14.544 -0.534 -5.335 416 H SER 56 H SER 56 11.009 2.155 -0.576 417 HA SER 56 HA SER 56 8.801 1.641 -1.261 418 1HB SER 56 1HB SER 56 8.194 3.793 -0.899 419 2HB SER 56 2HB SER 56 9.570 4.429 -1.795 420 HG SER 56 HG SER 56 7.485 4.812 -2.781 421 H ASN 57 H ASN 57 9.479 -0.099 -2.801 422 HA ASN 57 HA ASN 57 9.490 0.720 -5.679 423 1HB ASN 57 1HB ASN 57 10.322 -1.649 -5.948 424 2HB ASN 57 2HB ASN 57 11.349 -0.656 -4.916 425 1HD2 ASN 57 1HD2 ASN 57 9.062 -3.340 -4.949 426 2HD2 ASN 57 2HD2 ASN 57 9.323 -3.826 -3.345 427 H PHE 58 H PHE 58 7.049 1.096 -5.340 428 HA PHE 58 HA PHE 58 5.594 -1.507 -5.599 429 1HB PHE 58 1HB PHE 58 4.656 1.115 -4.354 430 2HB PHE 58 2HB PHE 58 3.744 -0.380 -4.400 431 HD1 PHE 58 1HD PHE 58 3.809 -1.772 -2.569 432 HD2 PHE 58 2HD PHE 58 7.191 0.757 -3.352 433 HE1 PHE 58 1HE PHE 58 4.939 -2.648 -0.543 434 HE2 PHE 58 2HE PHE 58 8.319 -0.126 -1.332 435 HZ PHE 58 HZ PHE 58 7.193 -1.826 0.075 436 H ARG 59 H ARG 59 5.161 -1.694 -7.741 437 HA ARG 59 HA ARG 59 4.726 0.674 -9.435 438 1HB ARG 59 1HB ARG 59 4.586 -1.089 -11.210 439 2HB ARG 59 2HB ARG 59 6.046 -1.203 -10.236 440 1HG ARG 59 1HG ARG 59 4.296 -2.788 -8.814 441 2HG ARG 59 2HG ARG 59 3.796 -3.089 -10.476 442 1HD ARG 59 1HD ARG 59 5.522 -4.693 -10.050 443 2HD ARG 59 2HD ARG 59 6.328 -3.405 -10.968 444 HE ARG 59 HE ARG 59 6.625 -3.931 -8.068 445 1HH1 ARG 59 1HH2 ARG 59 8.302 -2.969 -10.715 446 2HH1 ARG 59 2HH2 ARG 59 9.039 -1.571 -10.006 447 1HH2 ARG 59 1HH1 ARG 59 7.061 -1.643 -7.160 448 2HH2 ARG 59 2HH1 ARG 59 8.337 -0.820 -7.993 449 H VAL 60 H VAL 60 2.796 1.586 -9.273 450 HA VAL 60 HA VAL 60 0.375 0.060 -8.619 451 HB VAL 60 HB VAL 60 1.080 2.217 -7.608 452 1HG1 VAL 60 1HG1 VAL 60 1.781 2.992 -10.067 453 2HG1 VAL 60 2HG1 VAL 60 1.290 4.163 -8.843 454 3HG1 VAL 60 3HG1 VAL 60 0.139 3.634 -10.071 455 1HG2 VAL 60 1HG2 VAL 60 -1.140 3.184 -7.601 456 2HG2 VAL 60 2HG2 VAL 60 -1.329 1.437 -7.731 457 3HG2 VAL 60 3HG2 VAL 60 -1.520 2.452 -9.160 458 H GLN 61 H GLN 61 -1.488 -0.006 -9.866 459 HA GLN 61 HA GLN 61 -1.897 1.200 -12.422 460 1HB GLN 61 1HB GLN 61 -1.357 -0.742 -13.848 461 2HB GLN 61 2HB GLN 61 0.075 -0.233 -12.954 462 1HG GLN 61 1HG GLN 61 -1.513 -2.150 -11.439 463 2HG GLN 61 2HG GLN 61 -1.020 -2.806 -13.000 464 1HE2 GLN 61 1HE2 GLN 61 0.331 -4.201 -11.331 465 2HE2 GLN 61 2HE2 GLN 61 1.872 -3.603 -10.947 466 H LEU 62 H LEU 62 -3.742 -0.141 -13.608 467 HA LEU 62 HA LEU 62 -5.212 -2.135 -12.159 468 1HB LEU 62 1HB LEU 62 -5.241 0.202 -10.831 469 2HB LEU 62 2HB LEU 62 -6.595 0.499 -11.920 470 HG LEU 62 HG LEU 62 -7.342 -1.916 -11.171 471 1HD1 LEU 62 1HD1 LEU 62 -6.473 -2.750 -9.203 472 2HD1 LEU 62 2HD1 LEU 62 -6.064 -1.150 -8.584 473 3HD1 LEU 62 3HD1 LEU 62 -5.039 -1.914 -9.798 474 1HD2 LEU 62 1HD2 LEU 62 -7.764 -0.122 -8.890 475 2HD2 LEU 62 2HD2 LEU 62 -8.939 -0.785 -10.027 476 3HD2 LEU 62 3HD2 LEU 62 -8.034 0.670 -10.443 477 H PHE 63 H PHE 63 -6.283 0.876 -13.789 478 HA PHE 63 HA PHE 63 -8.358 -0.085 -15.327 479 1HB PHE 63 1HB PHE 63 -7.570 2.248 -15.244 480 2HB PHE 63 2HB PHE 63 -6.135 1.806 -16.170 481 HD1 PHE 63 1HD PHE 63 -9.345 0.186 -16.885 482 HD2 PHE 63 2HD PHE 63 -6.721 3.413 -17.961 483 HE1 PHE 63 1HE PHE 63 -10.607 0.509 -18.994 484 HE2 PHE 63 2HE PHE 63 -7.983 3.735 -20.071 485 HZ PHE 63 HZ PHE 63 -9.926 2.283 -20.587 486 H GLU 64 H GLU 64 -8.043 -2.254 -16.055 487 HA GLU 64 HA GLU 64 -5.729 -2.966 -17.713 488 1HB GLU 64 1HB GLU 64 -8.258 -4.283 -16.731 489 2HB GLU 64 2HB GLU 64 -7.241 -5.084 -17.929 490 1HG GLU 64 1HG GLU 64 -5.357 -5.097 -16.441 491 2HG GLU 64 2HG GLU 64 -6.164 -4.011 -15.309 492 H ASP 65 H ASP 65 -6.289 -4.102 -19.898 493 HA ASP 65 HA ASP 65 -7.597 -2.157 -21.624 494 1HB ASP 65 1HB ASP 65 -5.709 -4.229 -21.800 495 2HB ASP 65 2HB ASP 65 -7.066 -4.772 -22.786 Start of MODEL 18 1 1H MET 1 1HT MET 1 -13.983 -4.234 -4.140 2 2H MET 1 2HT MET 1 -15.097 -5.435 -4.591 3 3H MET 1 3HT MET 1 -13.432 -5.686 -4.822 4 HA MET 1 HA MET 1 -14.842 -5.492 -2.207 5 1HB MET 1 1HB MET 1 -13.414 -7.726 -3.688 6 2HB MET 1 2HB MET 1 -14.185 -7.873 -2.107 7 1HG MET 1 1HG MET 1 -16.337 -7.093 -3.231 8 2HG MET 1 2HG MET 1 -15.509 -7.312 -4.772 9 1HE MET 1 1HE MET 1 -17.622 -10.344 -5.083 10 2HE MET 1 2HE MET 1 -17.325 -8.651 -5.468 11 3HE MET 1 3HE MET 1 -18.262 -9.070 -4.037 12 H ASP 2 H ASP 2 -13.511 -4.779 -0.592 13 HA ASP 2 HA ASP 2 -10.675 -4.262 -1.112 14 1HB ASP 2 1HB ASP 2 -10.806 -3.299 1.166 15 2HB ASP 2 2HB ASP 2 -12.152 -2.747 0.168 16 H ASP 3 H ASP 3 -12.463 -6.937 0.010 17 HA ASP 3 HA ASP 3 -10.889 -8.053 2.065 18 1HB ASP 3 1HB ASP 3 -12.996 -8.780 0.350 19 2HB ASP 3 2HB ASP 3 -11.759 -10.012 0.098 20 H GLN 4 H GLN 4 -10.671 -9.330 -1.260 21 HA GLN 4 HA GLN 4 -7.923 -10.198 -0.863 22 1HB GLN 4 1HB GLN 4 -9.839 -11.160 -2.326 23 2HB GLN 4 2HB GLN 4 -9.388 -9.915 -3.490 24 1HG GLN 4 1HG GLN 4 -7.170 -11.544 -2.357 25 2HG GLN 4 2HG GLN 4 -8.262 -12.369 -3.471 26 1HE2 GLN 4 1HE2 GLN 4 -5.388 -10.775 -3.493 27 2HE2 GLN 4 2HE2 GLN 4 -5.444 -10.072 -5.037 28 H GLY 5 H GLY 5 -9.432 -7.283 -1.956 29 1HA GLY 5 1HA GLY 5 -7.339 -6.308 -3.672 30 2HA GLY 5 2HA GLY 5 -8.566 -5.319 -2.883 31 H CYS 6 H CYS 6 -7.345 -3.690 -1.948 32 HA CYS 6 HA CYS 6 -4.826 -3.497 -1.033 33 1HB CYS 6 1HB CYS 6 -6.257 -1.660 -0.656 34 2HB CYS 6 2HB CYS 6 -7.447 -2.636 0.177 35 HA PRO 7 HA PRO 7 -4.452 -6.633 2.137 36 1HB PRO 7 1HB PRO 7 -1.743 -6.399 2.397 37 2HB PRO 7 2HB PRO 7 -2.510 -7.245 1.040 38 1HG PRO 7 1HG PRO 7 -1.140 -4.649 1.113 39 2HG PRO 7 2HG PRO 7 -1.461 -5.716 -0.257 40 1HD PRO 7 1HD PRO 7 -2.879 -3.344 0.520 41 2HD PRO 7 2HD PRO 7 -3.196 -4.406 -0.864 42 H ARG 8 H ARG 8 -2.955 -3.399 2.356 43 HA ARG 8 HA ARG 8 -2.617 -3.540 5.271 44 1HB ARG 8 1HB ARG 8 -1.298 -2.283 3.300 45 2HB ARG 8 2HB ARG 8 -2.448 -1.004 3.688 46 1HG ARG 8 1HG ARG 8 -1.464 -0.546 5.675 47 2HG ARG 8 2HG ARG 8 -1.221 -2.253 6.052 48 1HD ARG 8 1HD ARG 8 0.858 -2.316 4.999 49 2HD ARG 8 2HD ARG 8 0.435 -1.013 3.869 50 HE ARG 8 HE ARG 8 1.397 0.416 5.494 51 1HH1 ARG 8 1HH2 ARG 8 -0.945 0.436 7.238 52 2HH1 ARG 8 2HH2 ARG 8 -0.344 -0.198 8.733 53 1HH2 ARG 8 1HH1 ARG 8 2.507 -1.568 7.312 54 2HH2 ARG 8 2HH1 ARG 8 1.610 -1.333 8.775 55 H CYS 9 H CYS 9 -4.238 -1.042 3.322 56 HA CYS 9 HA CYS 9 -6.246 -0.683 5.514 57 1HB CYS 9 1HB CYS 9 -6.687 1.351 3.733 58 2HB CYS 9 2HB CYS 9 -5.601 1.452 5.105 59 H LYS 10 H LYS 10 -7.011 -2.929 4.205 60 HA LYS 10 HA LYS 10 -8.277 -3.070 1.809 61 1HB LYS 10 1HB LYS 10 -9.758 -4.663 2.809 62 2HB LYS 10 2HB LYS 10 -8.291 -4.696 3.785 63 1HG LYS 10 1HG LYS 10 -9.516 -2.888 5.224 64 2HG LYS 10 2HG LYS 10 -10.972 -3.495 4.434 65 1HD LYS 10 1HD LYS 10 -10.824 -4.837 6.363 66 2HD LYS 10 2HD LYS 10 -10.070 -5.846 5.128 67 1HE LYS 10 1HE LYS 10 -8.416 -5.967 6.758 68 2HE LYS 10 2HE LYS 10 -7.889 -4.472 5.958 69 1HZ LYS 10 1HZ LYS 10 -8.949 -3.169 7.548 70 2HZ LYS 10 2HZ LYS 10 -8.310 -4.431 8.487 71 3HZ LYS 10 3HZ LYS 10 -9.957 -4.429 8.072 72 H THR 11 H THR 11 -9.089 -1.095 0.928 73 HA THR 11 HA THR 11 -11.805 -0.392 1.529 74 HB THR 11 HB THR 11 -9.928 0.364 3.460 75 HG1 THR 11 1HG THR 11 -11.754 0.626 4.372 76 1HG2 THR 11 1HG2 THR 11 -8.970 2.201 2.313 77 2HG2 THR 11 2HG2 THR 11 -10.182 2.937 3.363 78 3HG2 THR 11 3HG2 THR 11 -10.521 2.726 1.644 79 H THR 12 H THR 12 -8.785 1.307 0.801 80 HA THR 12 HA THR 12 -9.386 3.440 -0.593 81 HB THR 12 HB THR 12 -7.212 1.991 -0.268 82 HG1 THR 12 1HG THR 12 -7.084 4.120 -0.745 83 1HG2 THR 12 1HG2 THR 12 -7.944 1.615 -3.150 84 2HG2 THR 12 2HG2 THR 12 -7.725 0.342 -1.954 85 3HG2 THR 12 3HG2 THR 12 -6.350 1.291 -2.496 86 H LYS 13 H LYS 13 -9.326 0.434 -2.729 87 HA LYS 13 HA LYS 13 -10.684 2.006 -4.749 88 1HB LYS 13 1HB LYS 13 -10.409 0.069 -6.070 89 2HB LYS 13 2HB LYS 13 -9.053 0.034 -4.968 90 1HG LYS 13 1HG LYS 13 -11.583 -1.364 -4.180 91 2HG LYS 13 2HG LYS 13 -10.483 -2.133 -5.323 92 1HD LYS 13 1HD LYS 13 -8.640 -1.461 -3.611 93 2HD LYS 13 2HD LYS 13 -9.994 -1.316 -2.467 94 1HE LYS 13 1HE LYS 13 -9.157 -3.598 -2.314 95 2HE LYS 13 2HE LYS 13 -10.682 -3.674 -3.217 96 1HZ LYS 13 1HZ LYS 13 -9.408 -4.676 -4.771 97 2HZ LYS 13 2HZ LYS 13 -7.955 -4.072 -4.133 98 3HZ LYS 13 3HZ LYS 13 -8.904 -3.101 -5.151 99 H TYR 14 H TYR 14 -11.693 -0.288 -2.259 100 HA TYR 14 HA TYR 14 -14.411 -0.612 -3.132 101 1HB TYR 14 1HB TYR 14 -12.839 -1.646 -1.189 102 2HB TYR 14 2HB TYR 14 -13.711 -0.456 -0.227 103 HD1 TYR 14 1HD TYR 14 -15.262 -1.719 1.030 104 HD2 TYR 14 2HD TYR 14 -14.864 -2.427 -3.188 105 HE1 TYR 14 1HE TYR 14 -17.224 -3.235 1.100 106 HE2 TYR 14 2HE TYR 14 -16.827 -3.942 -3.118 107 HH TYR 14 HH TYR 14 -18.101 -5.229 -1.607 108 H ARG 15 H ARG 15 -12.648 1.763 -1.285 109 HA ARG 15 HA ARG 15 -14.988 3.501 -0.770 110 1HB ARG 15 1HB ARG 15 -12.252 3.027 0.121 111 2HB ARG 15 2HB ARG 15 -12.561 4.739 -0.104 112 1HG ARG 15 1HG ARG 15 -13.561 4.664 1.939 113 2HG ARG 15 2HG ARG 15 -14.865 3.762 1.156 114 1HD ARG 15 1HD ARG 15 -12.353 2.562 2.357 115 2HD ARG 15 2HD ARG 15 -13.975 2.477 3.071 116 HE ARG 15 HE ARG 15 -13.129 1.152 0.500 117 1HH1 ARG 15 1HH2 ARG 15 -14.100 -0.206 3.104 118 2HH1 ARG 15 2HH2 ARG 15 -15.709 -0.654 2.647 119 1HH2 ARG 15 1HH1 ARG 15 -15.786 1.426 -0.126 120 2HH2 ARG 15 2HH1 ARG 15 -16.664 0.269 0.819 121 H ASN 16 H ASN 16 -11.760 4.408 -1.772 122 HA ASN 16 HA ASN 16 -12.480 6.578 -3.469 123 1HB ASN 16 1HB ASN 16 -10.144 4.939 -2.671 124 2HB ASN 16 2HB ASN 16 -9.985 5.686 -4.257 125 1HD2 ASN 16 1HD2 ASN 16 -8.195 6.618 -2.620 126 2HD2 ASN 16 2HD2 ASN 16 -8.608 8.130 -1.956 127 HA PRO 17 HA PRO 17 -13.416 3.943 -6.974 128 1HB PRO 17 1HB PRO 17 -14.620 5.897 -8.468 129 2HB PRO 17 2HB PRO 17 -15.400 5.136 -7.067 130 1HG PRO 17 1HG PRO 17 -14.359 7.845 -7.372 131 2HG PRO 17 2HG PRO 17 -15.412 7.187 -6.114 132 1HD PRO 17 1HD PRO 17 -12.526 7.643 -6.052 133 2HD PRO 17 2HD PRO 17 -13.635 7.265 -4.713 134 H SER 18 H SER 18 -11.264 6.647 -7.016 135 HA SER 18 HA SER 18 -10.486 5.981 -9.839 136 1HB SER 18 1HB SER 18 -11.453 8.272 -9.197 137 2HB SER 18 2HB SER 18 -9.937 8.548 -8.344 138 HG SER 18 HG SER 18 -10.260 7.965 -11.094 139 H LEU 19 H LEU 19 -9.204 4.216 -8.427 140 HA LEU 19 HA LEU 19 -6.480 5.377 -8.065 141 1HB LEU 19 1HB LEU 19 -6.287 4.097 -5.935 142 2HB LEU 19 2HB LEU 19 -7.459 5.392 -5.882 143 HG LEU 19 HG LEU 19 -8.139 3.103 -4.849 144 1HD1 LEU 19 1HD1 LEU 19 -10.330 3.658 -6.614 145 2HD1 LEU 19 2HD1 LEU 19 -9.546 5.173 -6.155 146 3HD1 LEU 19 3HD1 LEU 19 -10.125 4.066 -4.913 147 1HD2 LEU 19 1HD2 LEU 19 -7.467 1.715 -6.820 148 2HD2 LEU 19 2HD2 LEU 19 -8.712 2.522 -7.776 149 3HD2 LEU 19 3HD2 LEU 19 -9.164 1.527 -6.401 150 H LYS 20 H LYS 20 -5.448 2.860 -6.983 151 HA LYS 20 HA LYS 20 -6.110 0.562 -8.506 152 1HB LYS 20 1HB LYS 20 -3.980 0.829 -10.064 153 2HB LYS 20 2HB LYS 20 -5.489 1.621 -10.514 154 1HG LYS 20 1HG LYS 20 -4.734 3.734 -9.772 155 2HG LYS 20 2HG LYS 20 -3.441 3.027 -8.802 156 1HD LYS 20 1HD LYS 20 -2.151 3.616 -10.600 157 2HD LYS 20 2HD LYS 20 -2.759 2.101 -11.265 158 1HE LYS 20 1HE LYS 20 -4.692 3.435 -12.252 159 2HE LYS 20 2HE LYS 20 -3.816 4.902 -11.774 160 1HZ LYS 20 1HZ LYS 20 -1.872 4.032 -12.976 161 2HZ LYS 20 2HZ LYS 20 -3.198 4.252 -14.015 162 3HZ LYS 20 3HZ LYS 20 -2.780 2.693 -13.484 163 H LEU 21 H LEU 21 -4.770 -1.209 -7.905 164 HA LEU 21 HA LEU 21 -3.050 -0.663 -5.577 165 1HB LEU 21 1HB LEU 21 -4.394 -2.996 -6.876 166 2HB LEU 21 2HB LEU 21 -3.070 -3.309 -5.754 167 HG LEU 21 HG LEU 21 -4.215 -2.312 -3.944 168 1HD1 LEU 21 1HD1 LEU 21 -4.891 -0.229 -5.027 169 2HD1 LEU 21 2HD1 LEU 21 -6.302 -0.963 -4.267 170 3HD1 LEU 21 3HD1 LEU 21 -6.074 -1.091 -6.011 171 1HD2 LEU 21 1HD2 LEU 21 -6.023 -3.718 -3.732 172 2HD2 LEU 21 2HD2 LEU 21 -5.313 -4.427 -5.183 173 3HD2 LEU 21 3HD2 LEU 21 -6.665 -3.302 -5.320 174 H MET 22 H MET 22 -0.864 -1.129 -5.416 175 HA MET 22 HA MET 22 0.532 -1.793 -7.971 176 1HB MET 22 1HB MET 22 2.162 -0.518 -5.926 177 2HB MET 22 2HB MET 22 1.855 0.013 -7.570 178 1HG MET 22 1HG MET 22 -0.383 0.894 -6.767 179 2HG MET 22 2HG MET 22 0.153 0.557 -5.124 180 1HE MET 22 1HE MET 22 -0.391 3.964 -6.379 181 2HE MET 22 2HE MET 22 0.351 4.101 -4.786 182 3HE MET 22 3HE MET 22 -0.773 2.785 -5.117 183 H VAL 23 H VAL 23 2.786 -2.770 -7.496 184 HA VAL 23 HA VAL 23 2.625 -4.635 -5.155 185 HB VAL 23 HB VAL 23 2.802 -5.094 -8.086 186 1HG1 VAL 23 1HG1 VAL 23 4.107 -7.134 -7.904 187 2HG1 VAL 23 2HG1 VAL 23 4.260 -6.929 -6.159 188 3HG1 VAL 23 3HG1 VAL 23 5.070 -5.808 -7.253 189 1HG2 VAL 23 1HG2 VAL 23 1.206 -6.656 -7.627 190 2HG2 VAL 23 2HG2 VAL 23 1.058 -5.768 -6.111 191 3HG2 VAL 23 3HG2 VAL 23 2.042 -7.230 -6.184 192 H ASN 24 H ASN 24 4.916 -5.716 -4.901 193 HA ASN 24 HA ASN 24 7.055 -3.705 -5.502 194 1HB ASN 24 1HB ASN 24 7.620 -4.960 -3.014 195 2HB ASN 24 2HB ASN 24 7.193 -3.275 -3.290 196 1HD2 ASN 24 1HD2 ASN 24 4.961 -2.624 -2.913 197 2HD2 ASN 24 2HD2 ASN 24 3.865 -3.634 -2.102 198 H VAL 25 H VAL 25 9.276 -4.775 -4.917 199 HA VAL 25 HA VAL 25 10.115 -6.688 -6.624 200 HB VAL 25 HB VAL 25 11.615 -5.626 -5.086 201 1HG1 VAL 25 1HG1 VAL 25 11.476 -5.766 -2.733 202 2HG1 VAL 25 2HG1 VAL 25 10.443 -7.193 -2.789 203 3HG1 VAL 25 3HG1 VAL 25 9.794 -5.616 -3.236 204 1HG2 VAL 25 1HG2 VAL 25 11.618 -8.480 -4.121 205 2HG2 VAL 25 2HG2 VAL 25 12.994 -7.431 -4.465 206 3HG2 VAL 25 3HG2 VAL 25 12.031 -8.086 -5.790 207 H CYS 26 H CYS 26 8.727 -7.538 -3.428 208 HA CYS 26 HA CYS 26 8.597 -10.389 -4.145 209 1HB CYS 26 1HB CYS 26 7.547 -10.520 -1.866 210 2HB CYS 26 2HB CYS 26 9.103 -9.696 -1.860 211 H GLY 27 H GLY 27 7.082 -10.776 -5.675 212 1HA GLY 27 1HA GLY 27 4.851 -9.440 -6.491 213 2HA GLY 27 2HA GLY 27 4.868 -11.202 -6.426 214 H HIS 28 H HIS 28 3.845 -8.278 -4.773 215 HA HIS 28 HA HIS 28 1.975 -9.952 -3.174 216 1HB HIS 28 1HB HIS 28 4.116 -8.098 -2.232 217 2HB HIS 28 2HB HIS 28 2.597 -8.087 -1.333 218 HD2 HIS 28 2HD HIS 28 2.394 -11.505 -2.295 219 HE1 HIS 28 1HE HIS 28 5.210 -11.782 0.819 220 HE2 HIS 28 2HE HIS 28 3.599 -13.087 -0.625 221 H THR 29 H THR 29 1.921 -6.681 -2.201 222 HA THR 29 HA THR 29 0.432 -5.527 -4.371 223 HB THR 29 HB THR 29 -0.934 -7.315 -2.415 224 HG1 THR 29 1HG THR 29 -1.362 -6.517 -5.098 225 1HG2 THR 29 1HG2 THR 29 -3.048 -6.143 -2.553 226 2HG2 THR 29 2HG2 THR 29 -2.354 -4.922 -3.617 227 3HG2 THR 29 3HG2 THR 29 -1.846 -5.014 -1.933 228 H LEU 30 H LEU 30 -0.573 -3.495 -3.772 229 HA LEU 30 HA LEU 30 -0.410 -2.430 -1.046 230 1HB LEU 30 1HB LEU 30 1.944 -2.538 -2.125 231 2HB LEU 30 2HB LEU 30 1.397 -1.223 -3.145 232 HG LEU 30 HG LEU 30 0.795 -0.007 -0.979 233 1HD1 LEU 30 1HD1 LEU 30 2.704 -1.993 0.245 234 2HD1 LEU 30 2HD1 LEU 30 0.955 -2.181 0.370 235 3HD1 LEU 30 3HD1 LEU 30 1.743 -0.765 1.067 236 1HD2 LEU 30 1HD2 LEU 30 3.430 0.200 -0.495 237 2HD2 LEU 30 2HD2 LEU 30 2.674 0.914 -1.917 238 3HD2 LEU 30 3HD2 LEU 30 3.495 -0.640 -2.043 239 H CYS 31 H CYS 31 -2.563 -1.695 -1.394 240 HA CYS 31 HA CYS 31 -3.485 -0.511 -3.825 241 1HB CYS 31 1HB CYS 31 -5.478 -0.350 -2.702 242 2HB CYS 31 2HB CYS 31 -4.674 -1.462 -1.631 243 H GLU 32 H GLU 32 -4.326 1.627 -4.013 244 HA GLU 32 HA GLU 32 -2.499 3.729 -3.969 245 1HB GLU 32 1HB GLU 32 -4.761 5.122 -3.735 246 2HB GLU 32 2HB GLU 32 -4.486 4.128 -5.160 247 1HG GLU 32 1HG GLU 32 -5.810 2.868 -2.823 248 2HG GLU 32 2HG GLU 32 -6.766 3.947 -3.822 249 H SER 33 H SER 33 -4.899 2.981 -1.410 250 HA SER 33 HA SER 33 -3.978 5.014 0.399 251 1HB SER 33 1HB SER 33 -5.695 2.521 0.661 252 2HB SER 33 2HB SER 33 -5.374 3.595 2.019 253 HG SER 33 HG SER 33 -7.050 4.597 1.233 254 H CYS 34 H CYS 34 -2.655 1.863 -0.396 255 HA CYS 34 HA CYS 34 -1.451 1.422 2.239 256 1HB CYS 34 1HB CYS 34 -1.145 0.272 -0.542 257 2HB CYS 34 2HB CYS 34 0.020 -0.099 0.722 258 H VAL 35 H VAL 35 -0.249 2.434 -0.964 259 HA VAL 35 HA VAL 35 2.393 3.065 -0.331 260 HB VAL 35 HB VAL 35 0.411 3.619 -2.372 261 1HG1 VAL 35 1HG1 VAL 35 2.404 5.841 -1.836 262 2HG1 VAL 35 2HG1 VAL 35 0.653 5.976 -1.680 263 3HG1 VAL 35 3HG1 VAL 35 1.380 5.706 -3.264 264 1HG2 VAL 35 1HG2 VAL 35 2.205 2.291 -3.021 265 2HG2 VAL 35 2HG2 VAL 35 3.387 3.301 -2.189 266 3HG2 VAL 35 3HG2 VAL 35 2.660 3.852 -3.697 267 H ASP 36 H ASP 36 -0.520 4.668 0.703 268 HA ASP 36 HA ASP 36 0.832 7.165 1.425 269 1HB ASP 36 1HB ASP 36 -1.305 7.896 1.475 270 2HB ASP 36 2HB ASP 36 -1.768 6.296 0.913 271 H LEU 37 H LEU 37 -0.827 4.695 3.511 272 HA LEU 37 HA LEU 37 0.496 5.704 5.888 273 1HB LEU 37 1HB LEU 37 -0.857 3.041 5.378 274 2HB LEU 37 2HB LEU 37 -0.629 3.819 6.944 275 HG LEU 37 HG LEU 37 -2.289 4.908 4.648 276 1HD1 LEU 37 1HD1 LEU 37 -3.628 4.422 7.186 277 2HD1 LEU 37 2HD1 LEU 37 -2.911 2.944 6.543 278 3HD1 LEU 37 3HD1 LEU 37 -4.062 3.861 5.571 279 1HD2 LEU 37 1HD2 LEU 37 -1.136 6.621 6.096 280 2HD2 LEU 37 2HD2 LEU 37 -1.984 5.940 7.483 281 3HD2 LEU 37 3HD2 LEU 37 -2.896 6.692 6.175 282 H LEU 38 H LEU 38 1.040 2.946 3.768 283 HA LEU 38 HA LEU 38 2.988 1.512 5.142 284 1HB LEU 38 1HB LEU 38 1.848 1.290 2.799 285 2HB LEU 38 2HB LEU 38 3.214 2.236 2.219 286 HG LEU 38 HG LEU 38 4.001 0.071 1.905 287 1HD1 LEU 38 1HD1 LEU 38 5.487 1.400 3.500 288 2HD1 LEU 38 2HD1 LEU 38 5.698 -0.349 3.554 289 3HD1 LEU 38 3HD1 LEU 38 4.772 0.467 4.813 290 1HD2 LEU 38 1HD2 LEU 38 2.665 -0.682 4.528 291 2HD2 LEU 38 2HD2 LEU 38 3.539 -1.790 3.470 292 3HD2 LEU 38 3HD2 LEU 38 2.043 -1.036 2.916 293 H PHE 39 H PHE 39 3.588 4.198 2.875 294 HA PHE 39 HA PHE 39 6.385 4.357 3.746 295 1HB PHE 39 1HB PHE 39 4.837 5.814 1.599 296 2HB PHE 39 2HB PHE 39 6.604 5.663 1.715 297 HD1 PHE 39 1HD PHE 39 7.102 3.054 2.573 298 HD2 PHE 39 2HD PHE 39 4.003 4.335 -0.075 299 HE1 PHE 39 1HE PHE 39 6.910 0.740 1.717 300 HE2 PHE 39 2HE PHE 39 3.810 2.028 -0.947 301 HZ PHE 39 HZ PHE 39 5.254 0.226 -0.046 302 H VAL 40 H VAL 40 3.476 6.337 4.297 303 HA VAL 40 HA VAL 40 4.722 8.815 4.868 304 HB VAL 40 HB VAL 40 2.929 9.005 6.672 305 1HG1 VAL 40 1HG1 VAL 40 2.045 9.876 4.776 306 2HG1 VAL 40 2HG1 VAL 40 1.084 8.397 4.774 307 3HG1 VAL 40 3HG1 VAL 40 2.545 8.501 3.792 308 1HG2 VAL 40 1HG2 VAL 40 1.270 7.179 6.755 309 2HG2 VAL 40 2HG2 VAL 40 2.860 6.629 7.283 310 3HG2 VAL 40 3HG2 VAL 40 2.278 6.223 5.672 311 H ARG 41 H ARG 41 4.890 5.757 6.525 312 HA ARG 41 HA ARG 41 6.065 6.787 8.999 313 1HB ARG 41 1HB ARG 41 6.427 3.984 7.961 314 2HB ARG 41 2HB ARG 41 6.120 4.521 9.610 315 1HG ARG 41 1HG ARG 41 3.827 5.336 8.618 316 2HG ARG 41 2HG ARG 41 4.192 4.182 7.337 317 1HD ARG 41 1HD ARG 41 3.964 2.354 8.744 318 2HD ARG 41 2HD ARG 41 4.512 3.257 10.170 319 HE ARG 41 HE ARG 41 2.269 4.472 10.014 320 1HH1 ARG 41 1HH1 ARG 41 1.772 1.767 11.083 321 2HH1 ARG 41 2HH1 ARG 41 0.548 1.150 10.024 322 1HH2 ARG 41 1HH2 ARG 41 1.117 3.516 7.555 323 2HH2 ARG 41 2HH2 ARG 41 0.178 2.139 8.026 324 H GLY 42 H GLY 42 7.220 5.660 5.866 325 1HA GLY 42 1HA GLY 42 9.487 6.866 5.408 326 2HA GLY 42 2HA GLY 42 10.027 5.960 6.816 327 H ALA 43 H ALA 43 7.785 4.104 4.969 328 HA ALA 43 HA ALA 43 8.201 2.206 3.548 329 1HB ALA 43 1HB ALA 43 9.682 2.695 1.748 330 2HB ALA 43 2HB ALA 43 10.652 3.781 2.746 331 3HB ALA 43 3HB ALA 43 9.030 4.258 2.241 332 H GLY 44 H GLY 44 9.702 0.361 3.307 333 1HA GLY 44 1HA GLY 44 12.126 -0.297 4.026 334 2HA GLY 44 2HA GLY 44 11.570 0.195 5.625 335 H ASN 45 H ASN 45 8.886 -1.058 4.193 336 HA ASN 45 HA ASN 45 9.542 -3.910 4.674 337 1HB ASN 45 1HB ASN 45 7.563 -2.276 6.290 338 2HB ASN 45 2HB ASN 45 7.704 -4.032 6.375 339 1HD2 ASN 45 1HD2 ASN 45 9.865 -4.896 7.122 340 2HD2 ASN 45 2HD2 ASN 45 10.822 -3.941 8.149 341 H CYS 46 H CYS 46 7.361 -5.203 4.443 342 HA CYS 46 HA CYS 46 5.996 -4.212 1.974 343 1HB CYS 46 1HB CYS 46 7.236 -6.401 2.062 344 2HB CYS 46 2HB CYS 46 6.106 -6.937 3.295 345 HA PRO 47 HA PRO 47 2.200 -3.555 4.146 346 1HB PRO 47 1HB PRO 47 0.468 -4.306 2.121 347 2HB PRO 47 2HB PRO 47 1.330 -2.761 2.155 348 1HG PRO 47 1HG PRO 47 2.130 -5.327 0.809 349 2HG PRO 47 2HG PRO 47 1.998 -3.709 0.101 350 1HD PRO 47 1HD PRO 47 4.361 -4.584 0.851 351 2HD PRO 47 2HD PRO 47 3.887 -2.934 1.296 352 H GLU 48 H GLU 48 3.336 -6.583 3.002 353 HA GLU 48 HA GLU 48 1.458 -7.978 4.847 354 1HB GLU 48 1HB GLU 48 0.879 -9.582 3.171 355 2HB GLU 48 2HB GLU 48 0.704 -7.995 2.430 356 1HG GLU 48 1HG GLU 48 2.155 -8.592 0.824 357 2HG GLU 48 2HG GLU 48 3.402 -8.841 2.041 358 H CYS 49 H CYS 49 4.623 -8.057 3.186 359 HA CYS 49 HA CYS 49 5.442 -10.129 5.164 360 1HB CYS 49 1HB CYS 49 6.466 -11.394 3.508 361 2HB CYS 49 2HB CYS 49 5.118 -10.724 2.608 362 H GLY 50 H GLY 50 6.284 -8.561 6.576 363 1HA GLY 50 1HA GLY 50 7.831 -6.328 6.098 364 2HA GLY 50 2HA GLY 50 8.125 -7.387 7.479 365 H THR 51 H THR 51 9.176 -6.493 4.277 366 HA THR 51 HA THR 51 11.518 -8.342 4.572 367 HB THR 51 HB THR 51 9.528 -8.310 2.649 368 HG1 THR 51 1HG THR 51 11.407 -9.408 1.429 369 1HG2 THR 51 1HG2 THR 51 11.960 -7.075 1.340 370 2HG2 THR 51 2HG2 THR 51 10.537 -6.137 1.792 371 3HG2 THR 51 3HG2 THR 51 10.398 -7.432 0.602 372 HA PRO 52 HA PRO 52 14.185 -4.880 4.194 373 1HB PRO 52 1HB PRO 52 15.980 -5.563 2.235 374 2HB PRO 52 2HB PRO 52 15.986 -6.283 3.858 375 1HG PRO 52 1HG PRO 52 14.903 -7.355 1.292 376 2HG PRO 52 2HG PRO 52 15.763 -8.196 2.592 377 1HD PRO 52 1HD PRO 52 13.053 -8.285 2.245 378 2HD PRO 52 2HD PRO 52 13.847 -8.491 3.820 379 H LEU 53 H LEU 53 12.615 -3.360 3.361 380 HA LEU 53 HA LEU 53 12.835 -2.854 0.411 381 1HB LEU 53 1HB LEU 53 10.607 -3.365 2.143 382 2HB LEU 53 2HB LEU 53 10.476 -1.710 1.544 383 HG LEU 53 HG LEU 53 9.371 -3.233 -0.017 384 1HD1 LEU 53 1HD1 LEU 53 11.839 -1.761 -0.744 385 2HD1 LEU 53 2HD1 LEU 53 10.201 -1.588 -1.369 386 3HD1 LEU 53 3HD1 LEU 53 11.239 -2.887 -1.959 387 1HD2 LEU 53 1HD2 LEU 53 11.692 -4.863 0.595 388 2HD2 LEU 53 2HD2 LEU 53 11.510 -4.675 -1.149 389 3HD2 LEU 53 3HD2 LEU 53 10.184 -5.332 -0.190 390 H ARG 54 H ARG 54 14.791 -1.581 1.570 391 HA ARG 54 HA ARG 54 13.985 0.953 2.830 392 1HB ARG 54 1HB ARG 54 16.058 -0.561 3.251 393 2HB ARG 54 2HB ARG 54 16.721 0.200 1.804 394 1HG ARG 54 1HG ARG 54 17.498 1.633 3.476 395 2HG ARG 54 2HG ARG 54 15.996 2.431 3.007 396 1HD ARG 54 1HD ARG 54 16.238 2.196 5.502 397 2HD ARG 54 2HD ARG 54 14.815 1.338 4.879 398 HE ARG 54 HE ARG 54 17.443 -0.032 5.371 399 1HH1 ARG 54 1HH1 ARG 54 14.295 0.386 6.497 400 2HH1 ARG 54 2HH1 ARG 54 13.950 -1.304 6.667 401 1HH2 ARG 54 1HH2 ARG 54 16.883 -2.329 5.129 402 2HH2 ARG 54 2HH2 ARG 54 15.415 -2.840 5.891 403 H LYS 55 H LYS 55 12.772 0.893 0.346 404 HA LYS 55 HA LYS 55 13.776 3.269 -0.924 405 1HB LYS 55 1HB LYS 55 14.813 2.336 -2.871 406 2HB LYS 55 2HB LYS 55 15.497 1.460 -1.503 407 1HG LYS 55 1HG LYS 55 13.111 0.476 -3.095 408 2HG LYS 55 2HG LYS 55 14.773 -0.007 -3.434 409 1HD LYS 55 1HD LYS 55 14.926 -0.739 -1.000 410 2HD LYS 55 2HD LYS 55 13.182 -0.501 -0.907 411 1HE LYS 55 1HE LYS 55 13.447 -2.814 -1.451 412 2HE LYS 55 2HE LYS 55 13.075 -2.040 -3.006 413 1HZ LYS 55 1HZ LYS 55 15.842 -2.349 -1.973 414 2HZ LYS 55 2HZ LYS 55 15.357 -1.953 -3.552 415 3HZ LYS 55 3HZ LYS 55 15.112 -3.524 -2.954 416 H SER 56 H SER 56 11.240 1.900 -0.063 417 HA SER 56 HA SER 56 9.031 1.591 -0.859 418 1HB SER 56 1HB SER 56 10.338 3.760 -2.503 419 2HB SER 56 2HB SER 56 8.674 3.299 -2.841 420 HG SER 56 HG SER 56 8.580 4.889 -1.324 421 H ASN 57 H ASN 57 8.072 1.696 -3.534 422 HA ASN 57 HA ASN 57 9.005 0.646 -5.781 423 1HB ASN 57 1HB ASN 57 9.267 -1.844 -5.478 424 2HB ASN 57 2HB ASN 57 10.493 -0.914 -4.627 425 1HD2 ASN 57 1HD2 ASN 57 9.915 -3.515 -3.735 426 2HD2 ASN 57 2HD2 ASN 57 9.084 -3.448 -2.258 427 H PHE 58 H PHE 58 6.786 1.321 -6.283 428 HA PHE 58 HA PHE 58 4.766 -0.826 -5.703 429 1HB PHE 58 1HB PHE 58 3.826 1.998 -5.892 430 2HB PHE 58 2HB PHE 58 3.273 0.711 -4.820 431 HD1 PHE 58 1HD PHE 58 4.814 3.794 -4.767 432 HD2 PHE 58 2HD PHE 58 5.316 -0.195 -3.274 433 HE1 PHE 58 1HE PHE 58 6.214 4.664 -2.912 434 HE2 PHE 58 2HE PHE 58 6.700 0.662 -1.433 435 HZ PHE 58 HZ PHE 58 7.164 3.094 -1.242 436 H ARG 59 H ARG 59 4.348 -1.698 -7.680 437 HA ARG 59 HA ARG 59 4.198 0.092 -10.074 438 1HB ARG 59 1HB ARG 59 3.782 -2.574 -10.867 439 2HB ARG 59 2HB ARG 59 5.288 -1.677 -11.001 440 1HG ARG 59 1HG ARG 59 5.888 -2.446 -8.685 441 2HG ARG 59 2HG ARG 59 4.438 -3.451 -8.692 442 1HD ARG 59 1HD ARG 59 5.692 -5.062 -9.697 443 2HD ARG 59 2HD ARG 59 5.759 -4.014 -11.129 444 HE ARG 59 HE ARG 59 7.696 -3.637 -8.874 445 1HH1 ARG 59 1HH1 ARG 59 7.140 -2.651 -11.958 446 2HH1 ARG 59 2HH1 ARG 59 8.663 -3.148 -12.616 447 1HH2 ARG 59 1HH2 ARG 59 9.587 -4.962 -9.810 448 2HH2 ARG 59 2HH2 ARG 59 10.048 -4.454 -11.401 449 H VAL 60 H VAL 60 2.160 1.024 -9.792 450 HA VAL 60 HA VAL 60 -0.146 -0.598 -9.006 451 HB VAL 60 HB VAL 60 0.472 1.791 -8.348 452 1HG1 VAL 60 1HG1 VAL 60 0.961 2.656 -10.577 453 2HG1 VAL 60 2HG1 VAL 60 -0.418 3.526 -9.908 454 3HG1 VAL 60 3HG1 VAL 60 -0.671 2.267 -11.116 455 1HG2 VAL 60 1HG2 VAL 60 -1.850 2.394 -8.113 456 2HG2 VAL 60 2HG2 VAL 60 -1.754 0.637 -7.991 457 3HG2 VAL 60 3HG2 VAL 60 -2.301 1.386 -9.487 458 H GLN 61 H GLN 61 -2.091 -0.715 -10.151 459 HA GLN 61 HA GLN 61 -2.539 0.059 -12.861 460 1HB GLN 61 1HB GLN 61 -2.041 -2.032 -13.993 461 2HB GLN 61 2HB GLN 61 -0.601 -1.566 -13.087 462 1HG GLN 61 1HG GLN 61 -1.414 -3.044 -11.207 463 2HG GLN 61 2HG GLN 61 -2.688 -3.615 -12.286 464 1HE2 GLN 61 1HE2 GLN 61 0.447 -4.306 -11.249 465 2HE2 GLN 61 2HE2 GLN 61 0.947 -5.266 -12.556 466 H LEU 62 H LEU 62 -4.478 -1.341 -13.737 467 HA LEU 62 HA LEU 62 -5.973 -2.865 -11.722 468 1HB LEU 62 1HB LEU 62 -6.126 -0.074 -11.714 469 2HB LEU 62 2HB LEU 62 -7.580 -0.580 -12.576 470 HG LEU 62 HG LEU 62 -8.118 -2.130 -10.708 471 1HD1 LEU 62 1HD1 LEU 62 -5.620 -0.902 -9.517 472 2HD1 LEU 62 2HD1 LEU 62 -5.913 -2.608 -9.854 473 3HD1 LEU 62 3HD1 LEU 62 -6.806 -1.796 -8.568 474 1HD2 LEU 62 1HD2 LEU 62 -8.087 0.762 -10.613 475 2HD2 LEU 62 2HD2 LEU 62 -7.932 0.101 -8.985 476 3HD2 LEU 62 3HD2 LEU 62 -9.306 -0.351 -9.994 477 H PHE 63 H PHE 63 -5.485 -4.128 -13.882 478 HA PHE 63 HA PHE 63 -7.615 -3.547 -15.908 479 1HB PHE 63 1HB PHE 63 -4.887 -3.918 -16.143 480 2HB PHE 63 2HB PHE 63 -5.519 -5.518 -16.531 481 HD1 PHE 63 1HD PHE 63 -4.181 -3.301 -18.367 482 HD2 PHE 63 2HD PHE 63 -8.225 -4.539 -17.617 483 HE1 PHE 63 1HE PHE 63 -4.846 -2.491 -20.615 484 HE2 PHE 63 2HE PHE 63 -8.891 -3.729 -19.864 485 HZ PHE 63 HZ PHE 63 -7.201 -2.704 -21.363 486 H GLU 64 H GLU 64 -9.348 -4.687 -14.896 487 HA GLU 64 HA GLU 64 -9.307 -7.163 -13.591 488 1HB GLU 64 1HB GLU 64 -11.235 -5.586 -15.231 489 2HB GLU 64 2HB GLU 64 -11.670 -7.258 -14.877 490 1HG GLU 64 1HG GLU 64 -11.543 -6.880 -12.514 491 2HG GLU 64 2HG GLU 64 -10.762 -5.314 -12.741 492 H ASP 65 H ASP 65 -10.572 -9.151 -14.774 493 HA ASP 65 HA ASP 65 -10.393 -10.914 -16.340 494 1HB ASP 65 1HB ASP 65 -9.272 -8.783 -18.175 495 2HB ASP 65 2HB ASP 65 -10.199 -10.216 -18.619 Start of MODEL 19 1 1H MET 1 1HT MET 1 -7.841 -8.401 -7.163 2 2H MET 1 2HT MET 1 -9.168 -8.996 -6.285 3 3H MET 1 3HT MET 1 -8.128 -7.850 -5.585 4 HA MET 1 HA MET 1 -8.872 -6.465 -7.714 5 1HB MET 1 1HB MET 1 -10.276 -8.756 -8.011 6 2HB MET 1 2HB MET 1 -11.428 -7.837 -7.042 7 1HG MET 1 1HG MET 1 -12.040 -6.726 -8.903 8 2HG MET 1 2HG MET 1 -10.412 -6.054 -8.998 9 1HE MET 1 1HE MET 1 -12.479 -9.170 -11.429 10 2HE MET 1 2HE MET 1 -12.994 -8.307 -9.983 11 3HE MET 1 3HE MET 1 -12.069 -9.798 -9.827 12 H ASP 2 H ASP 2 -11.701 -5.923 -6.756 13 HA ASP 2 HA ASP 2 -10.955 -4.228 -4.459 14 1HB ASP 2 1HB ASP 2 -13.198 -3.295 -4.865 15 2HB ASP 2 2HB ASP 2 -12.315 -3.438 -6.384 16 H ASP 3 H ASP 3 -11.227 -7.277 -4.240 17 HA ASP 3 HA ASP 3 -13.530 -7.503 -2.367 18 1HB ASP 3 1HB ASP 3 -13.020 -9.149 -4.233 19 2HB ASP 3 2HB ASP 3 -11.567 -9.601 -3.340 20 H GLN 4 H GLN 4 -12.250 -6.018 -0.833 21 HA GLN 4 HA GLN 4 -11.070 -5.849 1.211 22 1HB GLN 4 1HB GLN 4 -12.193 -8.279 1.184 23 2HB GLN 4 2HB GLN 4 -10.503 -8.783 1.117 24 1HG GLN 4 1HG GLN 4 -10.249 -8.333 3.309 25 2HG GLN 4 2HG GLN 4 -10.806 -6.677 3.063 26 1HE2 GLN 4 1HE2 GLN 4 -11.569 -7.985 5.426 27 2HE2 GLN 4 2HE2 GLN 4 -13.223 -8.362 5.367 28 H GLY 5 H GLY 5 -9.733 -5.865 -1.512 29 1HA GLY 5 1HA GLY 5 -7.230 -7.189 -1.444 30 2HA GLY 5 2HA GLY 5 -7.541 -5.693 -2.326 31 H CYS 6 H CYS 6 -7.356 -3.654 -1.078 32 HA CYS 6 HA CYS 6 -5.020 -3.114 0.173 33 1HB CYS 6 1HB CYS 6 -6.500 -1.340 -0.229 34 2HB CYS 6 2HB CYS 6 -7.825 -2.117 0.619 35 HA PRO 7 HA PRO 7 -5.332 -5.457 3.988 36 1HB PRO 7 1HB PRO 7 -2.631 -5.583 4.393 37 2HB PRO 7 2HB PRO 7 -3.488 -6.642 3.259 38 1HG PRO 7 1HG PRO 7 -1.680 -4.395 2.734 39 2HG PRO 7 2HG PRO 7 -2.173 -5.715 1.668 40 1HD PRO 7 1HD PRO 7 -3.153 -3.006 1.745 41 2HD PRO 7 2HD PRO 7 -3.593 -4.310 0.622 42 H ARG 8 H ARG 8 -3.749 -2.373 3.403 43 HA ARG 8 HA ARG 8 -3.311 -1.851 6.291 44 1HB ARG 8 1HB ARG 8 -1.907 -1.245 4.081 45 2HB ARG 8 2HB ARG 8 -2.910 0.203 4.156 46 1HG ARG 8 1HG ARG 8 -2.193 0.269 6.661 47 2HG ARG 8 2HG ARG 8 -0.885 -0.790 6.137 48 1HD ARG 8 1HD ARG 8 0.066 1.341 5.824 49 2HD ARG 8 2HD ARG 8 -0.615 1.020 4.215 50 HE ARG 8 HE ARG 8 -2.020 2.871 4.670 51 1HH1 ARG 8 1HH1 ARG 8 -0.511 2.428 7.561 52 2HH1 ARG 8 2HH1 ARG 8 -1.870 2.812 8.565 53 1HH2 ARG 8 1HH2 ARG 8 -4.149 2.782 5.953 54 2HH2 ARG 8 2HH2 ARG 8 -3.929 3.013 7.655 55 H CYS 9 H CYS 9 -4.816 0.095 3.683 56 HA CYS 9 HA CYS 9 -6.728 1.168 5.728 57 1HB CYS 9 1HB CYS 9 -7.052 2.731 3.500 58 2HB CYS 9 2HB CYS 9 -5.967 3.095 4.826 59 H LYS 10 H LYS 10 -7.778 -1.201 5.087 60 HA LYS 10 HA LYS 10 -9.067 -1.737 2.709 61 1HB LYS 10 1HB LYS 10 -10.536 -3.074 3.995 62 2HB LYS 10 2HB LYS 10 -9.109 -2.920 5.017 63 1HG LYS 10 1HG LYS 10 -10.437 -0.773 5.888 64 2HG LYS 10 2HG LYS 10 -11.818 -1.724 5.342 65 1HD LYS 10 1HD LYS 10 -9.683 -2.609 7.310 66 2HD LYS 10 2HD LYS 10 -11.367 -2.239 7.688 67 1HE LYS 10 1HE LYS 10 -11.248 -4.181 5.540 68 2HE LYS 10 2HE LYS 10 -10.316 -4.754 6.938 69 1HZ LYS 10 1HZ LYS 10 -12.944 -3.453 7.304 70 2HZ LYS 10 2HZ LYS 10 -12.140 -4.540 8.332 71 3HZ LYS 10 3HZ LYS 10 -12.869 -5.099 6.904 72 H THR 11 H THR 11 -9.669 0.116 1.548 73 HA THR 11 HA THR 11 -12.321 1.189 1.912 74 HB THR 11 HB THR 11 -10.824 2.139 3.845 75 HG1 THR 11 1HG THR 11 -11.867 4.174 3.586 76 1HG2 THR 11 1HG2 THR 11 -9.263 3.803 3.305 77 2HG2 THR 11 2HG2 THR 11 -9.997 4.107 1.725 78 3HG2 THR 11 3HG2 THR 11 -9.036 2.651 1.982 79 H THR 12 H THR 12 -10.253 0.325 -0.210 80 HA THR 12 HA THR 12 -10.197 2.904 -1.701 81 HB THR 12 HB THR 12 -8.179 1.960 -2.729 82 HG1 THR 12 1HG THR 12 -8.363 -0.147 -0.881 83 1HG2 THR 12 1HG2 THR 12 -8.486 3.025 -0.295 84 2HG2 THR 12 2HG2 THR 12 -6.912 2.504 -0.900 85 3HG2 THR 12 3HG2 THR 12 -7.837 1.453 0.177 86 H LYS 13 H LYS 13 -9.203 0.644 -3.829 87 HA LYS 13 HA LYS 13 -11.099 0.883 -5.738 88 1HB LYS 13 1HB LYS 13 -10.134 -1.075 -6.650 89 2HB LYS 13 2HB LYS 13 -8.923 -0.463 -5.558 90 1HG LYS 13 1HG LYS 13 -10.842 -2.347 -4.344 91 2HG LYS 13 2HG LYS 13 -9.739 -3.031 -5.536 92 1HD LYS 13 1HD LYS 13 -7.831 -2.004 -4.329 93 2HD LYS 13 2HD LYS 13 -8.958 -1.380 -3.117 94 1HE LYS 13 1HE LYS 13 -9.240 -4.274 -3.631 95 2HE LYS 13 2HE LYS 13 -7.687 -3.805 -2.912 96 1HZ LYS 13 1HZ LYS 13 -10.429 -3.197 -1.940 97 2HZ LYS 13 2HZ LYS 13 -9.061 -2.358 -1.382 98 3HZ LYS 13 3HZ LYS 13 -9.200 -4.031 -1.121 99 H TYR 14 H TYR 14 -11.479 -0.975 -2.773 100 HA TYR 14 HA TYR 14 -13.997 -2.209 -3.577 101 1HB TYR 14 1HB TYR 14 -12.638 -3.265 -1.878 102 2HB TYR 14 2HB TYR 14 -12.561 -1.777 -0.937 103 HD1 TYR 14 1HD TYR 14 -13.426 -3.149 1.006 104 HD2 TYR 14 2HD TYR 14 -15.727 -2.494 -2.564 105 HE1 TYR 14 1HE TYR 14 -15.489 -3.807 2.213 106 HE2 TYR 14 2HE TYR 14 -17.789 -3.152 -1.355 107 HH TYR 14 HH TYR 14 -17.903 -4.841 1.297 108 H ARG 15 H ARG 15 -13.022 0.426 -1.441 109 HA ARG 15 HA ARG 15 -15.759 1.549 -1.340 110 1HB ARG 15 1HB ARG 15 -13.111 2.005 0.016 111 2HB ARG 15 2HB ARG 15 -14.430 3.137 0.233 112 1HG ARG 15 1HG ARG 15 -14.323 1.404 2.033 113 2HG ARG 15 2HG ARG 15 -15.843 1.376 1.146 114 1HD ARG 15 1HD ARG 15 -15.009 -0.918 1.466 115 2HD ARG 15 2HD ARG 15 -14.946 -0.510 -0.247 116 HE ARG 15 HE ARG 15 -12.513 -0.197 -0.004 117 1HH1 ARG 15 1HH1 ARG 15 -13.852 -0.449 3.085 118 2HH1 ARG 15 2HH1 ARG 15 -12.623 -1.493 3.711 119 1HH2 ARG 15 1HH2 ARG 15 -11.070 -1.947 0.647 120 2HH2 ARG 15 2HH2 ARG 15 -11.044 -2.341 2.333 121 H ASN 16 H ASN 16 -12.471 2.866 -1.841 122 HA ASN 16 HA ASN 16 -13.299 5.231 -3.271 123 1HB ASN 16 1HB ASN 16 -10.664 3.717 -3.148 124 2HB ASN 16 2HB ASN 16 -10.846 5.370 -3.714 125 1HD2 ASN 16 1HD2 ASN 16 -9.219 4.482 -1.445 126 2HD2 ASN 16 2HD2 ASN 16 -9.847 5.252 -0.065 127 HA PRO 17 HA PRO 17 -13.870 2.828 -7.045 128 1HB PRO 17 1HB PRO 17 -15.196 4.800 -8.408 129 2HB PRO 17 2HB PRO 17 -15.987 3.739 -7.226 130 1HG PRO 17 1HG PRO 17 -15.058 6.551 -6.952 131 2HG PRO 17 2HG PRO 17 -16.474 5.757 -6.249 132 1HD PRO 17 1HD PRO 17 -14.111 6.288 -4.906 133 2HD PRO 17 2HD PRO 17 -15.302 5.061 -4.422 134 H SER 18 H SER 18 -11.315 3.607 -6.786 135 HA SER 18 HA SER 18 -10.428 4.312 -9.379 136 1HB SER 18 1HB SER 18 -11.230 6.530 -7.589 137 2HB SER 18 2HB SER 18 -9.678 6.747 -8.393 138 HG SER 18 HG SER 18 -11.035 5.912 -10.309 139 H LEU 19 H LEU 19 -9.501 2.510 -7.422 140 HA LEU 19 HA LEU 19 -6.984 3.757 -6.379 141 1HB LEU 19 1HB LEU 19 -7.899 2.599 -4.584 142 2HB LEU 19 2HB LEU 19 -8.751 1.461 -5.628 143 HG LEU 19 HG LEU 19 -5.731 1.418 -5.408 144 1HD1 LEU 19 1HD1 LEU 19 -6.630 1.165 -3.121 145 2HD1 LEU 19 2HD1 LEU 19 -5.882 -0.310 -3.719 146 3HD1 LEU 19 3HD1 LEU 19 -7.632 -0.168 -3.687 147 1HD2 LEU 19 1HD2 LEU 19 -7.587 0.032 -6.978 148 2HD2 LEU 19 2HD2 LEU 19 -7.118 -1.113 -5.728 149 3HD2 LEU 19 3HD2 LEU 19 -5.889 -0.380 -6.755 150 H LYS 20 H LYS 20 -5.006 2.578 -6.669 151 HA LYS 20 HA LYS 20 -4.994 0.537 -8.821 152 1HB LYS 20 1HB LYS 20 -2.682 1.713 -9.373 153 2HB LYS 20 2HB LYS 20 -4.165 2.425 -9.991 154 1HG LYS 20 1HG LYS 20 -3.264 3.261 -7.270 155 2HG LYS 20 2HG LYS 20 -2.367 3.883 -8.655 156 1HD LYS 20 1HD LYS 20 -5.299 3.985 -8.961 157 2HD LYS 20 2HD LYS 20 -4.666 5.005 -7.667 158 1HE LYS 20 1HE LYS 20 -3.757 6.466 -9.160 159 2HE LYS 20 2HE LYS 20 -3.054 5.149 -10.121 160 1HZ LYS 20 1HZ LYS 20 -5.809 6.242 -10.198 161 2HZ LYS 20 2HZ LYS 20 -5.464 4.685 -10.785 162 3HZ LYS 20 3HZ LYS 20 -4.720 6.042 -11.484 163 H LEU 21 H LEU 21 -3.428 -1.133 -8.408 164 HA LEU 21 HA LEU 21 -2.310 -1.009 -5.619 165 1HB LEU 21 1HB LEU 21 -3.782 -2.954 -7.229 166 2HB LEU 21 2HB LEU 21 -2.344 -3.656 -6.486 167 HG LEU 21 HG LEU 21 -3.152 -2.474 -4.321 168 1HD1 LEU 21 1HD1 LEU 21 -4.868 -1.046 -5.213 169 2HD1 LEU 21 2HD1 LEU 21 -5.695 -2.302 -4.295 170 3HD1 LEU 21 3HD1 LEU 21 -5.635 -2.393 -6.056 171 1HD2 LEU 21 1HD2 LEU 21 -3.852 -4.537 -3.698 172 2HD2 LEU 21 2HD2 LEU 21 -3.530 -5.012 -5.365 173 3HD2 LEU 21 3HD2 LEU 21 -5.159 -4.538 -4.882 174 H MET 22 H MET 22 -0.084 -1.226 -5.349 175 HA MET 22 HA MET 22 1.502 -1.716 -7.824 176 1HB MET 22 1HB MET 22 3.008 -0.962 -5.500 177 2HB MET 22 2HB MET 22 2.860 -0.099 -7.012 178 1HG MET 22 1HG MET 22 0.582 0.716 -6.131 179 2HG MET 22 2HG MET 22 1.130 0.151 -4.555 180 1HE MET 22 1HE MET 22 0.147 2.718 -4.948 181 2HE MET 22 2HE MET 22 0.828 3.470 -6.388 182 3HE MET 22 3HE MET 22 1.274 4.073 -4.794 183 H VAL 23 H VAL 23 3.245 -3.169 -7.771 184 HA VAL 23 HA VAL 23 3.059 -5.273 -5.658 185 HB VAL 23 HB VAL 23 3.206 -5.175 -8.547 186 1HG1 VAL 23 1HG1 VAL 23 4.852 -6.997 -8.883 187 2HG1 VAL 23 2HG1 VAL 23 5.284 -6.914 -7.176 188 3HG1 VAL 23 3HG1 VAL 23 5.628 -5.552 -8.239 189 1HG2 VAL 23 1HG2 VAL 23 2.067 -6.705 -6.496 190 2HG2 VAL 23 2HG2 VAL 23 3.103 -7.822 -7.382 191 3HG2 VAL 23 3HG2 VAL 23 1.842 -6.927 -8.231 192 H ASN 24 H ASN 24 5.394 -6.358 -5.401 193 HA ASN 24 HA ASN 24 7.447 -4.173 -5.399 194 1HB ASN 24 1HB ASN 24 6.262 -5.791 -3.222 195 2HB ASN 24 2HB ASN 24 8.008 -5.547 -3.138 196 1HD2 ASN 24 1HD2 ASN 24 8.678 -3.123 -3.502 197 2HD2 ASN 24 2HD2 ASN 24 7.681 -1.950 -2.788 198 H VAL 25 H VAL 25 9.648 -5.184 -4.758 199 HA VAL 25 HA VAL 25 10.671 -6.836 -6.731 200 HB VAL 25 HB VAL 25 12.103 -5.627 -5.275 201 1HG1 VAL 25 1HG1 VAL 25 10.358 -6.819 -3.201 202 2HG1 VAL 25 2HG1 VAL 25 11.136 -5.237 -3.245 203 3HG1 VAL 25 3HG1 VAL 25 12.056 -6.659 -2.752 204 1HG2 VAL 25 1HG2 VAL 25 13.678 -7.265 -4.572 205 2HG2 VAL 25 2HG2 VAL 25 12.830 -7.994 -5.936 206 3HG2 VAL 25 3HG2 VAL 25 12.416 -8.464 -4.287 207 H CYS 26 H CYS 26 8.676 -7.853 -4.056 208 HA CYS 26 HA CYS 26 9.484 -10.697 -4.470 209 1HB CYS 26 1HB CYS 26 7.613 -10.787 -2.485 210 2HB CYS 26 2HB CYS 26 9.327 -10.549 -2.197 211 H GLY 27 H GLY 27 7.141 -8.438 -5.401 212 1HA GLY 27 1HA GLY 27 5.396 -8.766 -6.972 213 2HA GLY 27 2HA GLY 27 5.657 -10.506 -6.851 214 H HIS 28 H HIS 28 4.710 -7.917 -4.540 215 HA HIS 28 HA HIS 28 2.571 -9.778 -3.605 216 1HB HIS 28 1HB HIS 28 4.422 -7.849 -2.328 217 2HB HIS 28 2HB HIS 28 2.791 -7.885 -1.655 218 HD2 HIS 28 2HD HIS 28 2.035 -10.954 -1.744 219 HE1 HIS 28 1HE HIS 28 5.752 -11.829 0.027 220 HE2 HIS 28 2HE HIS 28 3.454 -12.741 -0.501 221 H THR 29 H THR 29 2.106 -6.534 -2.570 222 HA THR 29 HA THR 29 0.827 -5.312 -4.765 223 HB THR 29 HB THR 29 -0.585 -7.604 -3.542 224 HG1 THR 29 1HG THR 29 -0.898 -7.940 -5.580 225 1HG2 THR 29 1HG2 THR 29 -2.190 -6.174 -2.631 226 2HG2 THR 29 2HG2 THR 29 -2.825 -6.350 -4.265 227 3HG2 THR 29 3HG2 THR 29 -1.903 -4.911 -3.827 228 H LEU 30 H LEU 30 -0.075 -3.342 -4.136 229 HA LEU 30 HA LEU 30 -0.847 -3.002 -1.300 230 1HB LEU 30 1HB LEU 30 1.669 -2.493 -1.818 231 2HB LEU 30 2HB LEU 30 1.054 -1.021 -2.536 232 HG LEU 30 HG LEU 30 0.326 -0.191 -0.498 233 1HD1 LEU 30 1HD1 LEU 30 0.169 -1.817 1.552 234 2HD1 LEU 30 2HD1 LEU 30 0.090 -3.074 0.317 235 3HD1 LEU 30 3HD1 LEU 30 -1.125 -1.814 0.357 236 1HD2 LEU 30 1HD2 LEU 30 2.585 -2.004 0.369 237 2HD2 LEU 30 2HD2 LEU 30 2.126 -0.467 1.099 238 3HD2 LEU 30 3HD2 LEU 30 2.808 -0.502 -0.527 239 H CYS 31 H CYS 31 -2.728 -1.931 -1.281 240 HA CYS 31 HA CYS 31 -4.012 -0.892 -3.563 241 1HB CYS 31 1HB CYS 31 -5.685 -0.891 -2.044 242 2HB CYS 31 2HB CYS 31 -4.510 -1.390 -0.853 243 H GLU 32 H GLU 32 -4.674 1.442 -3.897 244 HA GLU 32 HA GLU 32 -2.351 3.123 -4.142 245 1HB GLU 32 1HB GLU 32 -3.842 4.260 -5.432 246 2HB GLU 32 2HB GLU 32 -5.036 3.060 -4.963 247 1HG GLU 32 1HG GLU 32 -5.975 5.221 -4.498 248 2HG GLU 32 2HG GLU 32 -5.578 4.478 -2.953 249 H SER 33 H SER 33 -5.016 3.102 -1.799 250 HA SER 33 HA SER 33 -4.071 5.302 -0.227 251 1HB SER 33 1HB SER 33 -5.816 2.923 0.528 252 2HB SER 33 2HB SER 33 -5.753 4.477 1.360 253 HG SER 33 HG SER 33 -6.271 5.362 -0.829 254 H CYS 34 H CYS 34 -2.769 2.093 -0.521 255 HA CYS 34 HA CYS 34 -1.885 2.000 2.304 256 1HB CYS 34 1HB CYS 34 -1.525 0.292 -0.149 257 2HB CYS 34 2HB CYS 34 -0.434 0.105 1.226 258 H VAL 35 H VAL 35 -0.077 2.047 -0.792 259 HA VAL 35 HA VAL 35 2.476 2.559 0.096 260 HB VAL 35 HB VAL 35 0.826 3.315 -2.266 261 1HG1 VAL 35 1HG1 VAL 35 1.896 5.353 -2.389 262 2HG1 VAL 35 2HG1 VAL 35 3.142 4.349 -3.129 263 3HG1 VAL 35 3HG1 VAL 35 3.273 4.806 -1.431 264 1HG2 VAL 35 1HG2 VAL 35 1.856 1.426 -2.899 265 2HG2 VAL 35 2HG2 VAL 35 2.940 1.486 -1.512 266 3HG2 VAL 35 3HG2 VAL 35 3.353 2.353 -2.992 267 H ASP 36 H ASP 36 -0.266 4.749 0.281 268 HA ASP 36 HA ASP 36 1.246 7.170 0.771 269 1HB ASP 36 1HB ASP 36 -0.846 8.044 0.660 270 2HB ASP 36 2HB ASP 36 -1.381 6.413 0.277 271 H LEU 37 H LEU 37 -0.425 4.909 3.066 272 HA LEU 37 HA LEU 37 0.847 6.332 5.313 273 1HB LEU 37 1HB LEU 37 -1.410 4.630 4.822 274 2HB LEU 37 2HB LEU 37 -0.433 3.927 6.111 275 HG LEU 37 HG LEU 37 -0.480 6.055 7.335 276 1HD1 LEU 37 1HD1 LEU 37 -2.251 7.036 5.076 277 2HD1 LEU 37 2HD1 LEU 37 -0.574 7.521 5.317 278 3HD1 LEU 37 3HD1 LEU 37 -1.795 7.946 6.516 279 1HD2 LEU 37 1HD2 LEU 37 -2.291 4.643 7.930 280 2HD2 LEU 37 2HD2 LEU 37 -3.123 4.929 6.402 281 3HD2 LEU 37 3HD2 LEU 37 -3.043 6.206 7.615 282 H LEU 38 H LEU 38 1.313 3.418 3.458 283 HA LEU 38 HA LEU 38 2.891 1.861 5.197 284 1HB LEU 38 1HB LEU 38 1.931 1.585 2.748 285 2HB LEU 38 2HB LEU 38 3.536 2.146 2.281 286 HG LEU 38 HG LEU 38 3.694 -0.229 2.356 287 1HD1 LEU 38 1HD1 LEU 38 4.638 0.491 5.126 288 2HD1 LEU 38 2HD1 LEU 38 5.410 1.201 3.708 289 3HD1 LEU 38 3HD1 LEU 38 5.411 -0.549 3.929 290 1HD2 LEU 38 1HD2 LEU 38 2.582 -0.261 5.166 291 2HD2 LEU 38 2HD2 LEU 38 2.744 -1.604 4.034 292 3HD2 LEU 38 3HD2 LEU 38 1.519 -0.365 3.761 293 H PHE 39 H PHE 39 4.065 4.270 2.797 294 HA PHE 39 HA PHE 39 6.791 4.052 3.876 295 1HB PHE 39 1HB PHE 39 5.812 5.958 1.762 296 2HB PHE 39 2HB PHE 39 7.402 5.204 1.911 297 HD1 PHE 39 1HD PHE 39 5.288 5.155 -0.463 298 HD2 PHE 39 2HD PHE 39 6.359 2.429 2.675 299 HE1 PHE 39 1HE PHE 39 4.483 3.253 -1.832 300 HE2 PHE 39 2HE PHE 39 5.553 0.530 1.307 301 HZ PHE 39 HZ PHE 39 4.609 0.948 -0.935 302 H VAL 40 H VAL 40 4.190 6.482 3.957 303 HA VAL 40 HA VAL 40 5.753 8.704 4.746 304 HB VAL 40 HB VAL 40 3.616 9.476 5.791 305 1HG1 VAL 40 1HG1 VAL 40 3.632 8.190 3.073 306 2HG1 VAL 40 2HG1 VAL 40 3.796 9.898 3.482 307 3HG1 VAL 40 3HG1 VAL 40 2.235 9.096 3.656 308 1HG2 VAL 40 1HG2 VAL 40 2.731 6.665 5.108 309 2HG2 VAL 40 2HG2 VAL 40 1.670 7.966 5.652 310 3HG2 VAL 40 3HG2 VAL 40 2.909 7.329 6.733 311 H ARG 41 H ARG 41 5.068 5.794 6.549 312 HA ARG 41 HA ARG 41 5.868 7.127 9.100 313 1HB ARG 41 1HB ARG 41 5.468 4.245 9.242 314 2HB ARG 41 2HB ARG 41 4.616 5.524 10.095 315 1HG ARG 41 1HG ARG 41 3.441 5.874 7.754 316 2HG ARG 41 2HG ARG 41 3.942 4.202 7.502 317 1HD ARG 41 1HD ARG 41 2.330 5.190 9.886 318 2HD ARG 41 2HD ARG 41 1.666 4.309 8.495 319 HE ARG 41 HE ARG 41 2.977 3.067 10.679 320 1HH1 ARG 41 1HH2 ARG 41 2.319 2.756 7.373 321 2HH1 ARG 41 2HH2 ARG 41 3.346 1.382 7.131 322 1HH2 ARG 41 1HH1 ARG 41 4.684 1.487 10.328 323 2HH2 ARG 41 2HH1 ARG 41 4.684 0.663 8.805 324 H GLY 42 H GLY 42 7.028 4.730 6.748 325 1HA GLY 42 1HA GLY 42 9.734 5.033 7.874 326 2HA GLY 42 2HA GLY 42 9.057 3.411 7.975 327 H ALA 43 H ALA 43 7.661 3.454 5.424 328 HA ALA 43 HA ALA 43 8.150 3.036 3.121 329 1HB ALA 43 1HB ALA 43 9.289 4.786 2.162 330 2HB ALA 43 2HB ALA 43 10.629 4.667 3.302 331 3HB ALA 43 3HB ALA 43 9.137 5.478 3.777 332 H GLY 44 H GLY 44 8.756 0.843 3.235 333 1HA GLY 44 1HA GLY 44 10.930 -0.305 2.339 334 2HA GLY 44 2HA GLY 44 11.608 0.253 3.867 335 H ASN 45 H ASN 45 8.332 -1.006 3.299 336 HA ASN 45 HA ASN 45 9.001 -3.572 4.600 337 1HB ASN 45 1HB ASN 45 7.176 -1.484 5.838 338 2HB ASN 45 2HB ASN 45 7.405 -3.122 6.456 339 1HD2 ASN 45 1HD2 ASN 45 9.405 -3.600 7.560 340 2HD2 ASN 45 2HD2 ASN 45 10.533 -2.396 7.958 341 H CYS 46 H CYS 46 7.983 -4.886 3.115 342 HA CYS 46 HA CYS 46 5.794 -4.267 1.453 343 1HB CYS 46 1HB CYS 46 7.482 -6.328 1.780 344 2HB CYS 46 2HB CYS 46 6.073 -7.015 2.581 345 HA PRO 47 HA PRO 47 2.374 -4.041 4.214 346 1HB PRO 47 1HB PRO 47 0.400 -4.565 2.376 347 2HB PRO 47 2HB PRO 47 1.259 -3.019 2.479 348 1HG PRO 47 1HG PRO 47 1.749 -5.347 0.661 349 2HG PRO 47 2HG PRO 47 1.686 -3.623 0.271 350 1HD PRO 47 1HD PRO 47 4.002 -4.919 0.572 351 2HD PRO 47 2HD PRO 47 3.804 -3.231 1.080 352 H GLU 48 H GLU 48 3.261 -6.930 2.537 353 HA GLU 48 HA GLU 48 1.467 -8.479 4.372 354 1HB GLU 48 1HB GLU 48 0.703 -9.807 2.614 355 2HB GLU 48 2HB GLU 48 0.847 -8.229 1.842 356 1HG GLU 48 1HG GLU 48 2.837 -10.514 1.692 357 2HG GLU 48 2HG GLU 48 1.852 -9.876 0.375 358 H CYS 49 H CYS 49 4.685 -8.277 2.927 359 HA CYS 49 HA CYS 49 5.399 -10.717 4.507 360 1HB CYS 49 1HB CYS 49 6.554 -11.604 2.705 361 2HB CYS 49 2HB CYS 49 5.290 -10.740 1.846 362 H GLY 50 H GLY 50 5.624 -7.571 4.653 363 1HA GLY 50 1HA GLY 50 7.249 -5.986 5.308 364 2HA GLY 50 2HA GLY 50 7.587 -7.238 6.497 365 H THR 51 H THR 51 8.212 -7.748 3.055 366 HA THR 51 HA THR 51 10.922 -8.542 3.496 367 HB THR 51 HB THR 51 9.127 -7.868 1.214 368 HG1 THR 51 1HG THR 51 10.324 -9.903 0.566 369 1HG2 THR 51 1HG2 THR 51 11.443 -8.454 -0.138 370 2HG2 THR 51 2HG2 THR 51 12.032 -7.367 1.118 371 3HG2 THR 51 3HG2 THR 51 10.760 -6.839 0.020 372 HA PRO 52 HA PRO 52 12.959 -4.697 4.025 373 1HB PRO 52 1HB PRO 52 15.404 -5.286 2.918 374 2HB PRO 52 2HB PRO 52 14.879 -5.875 4.510 375 1HG PRO 52 1HG PRO 52 14.848 -7.258 1.856 376 2HG PRO 52 2HG PRO 52 15.336 -7.881 3.442 377 1HD PRO 52 1HD PRO 52 12.922 -8.421 2.341 378 2HD PRO 52 2HD PRO 52 13.148 -8.253 4.096 379 H LEU 53 H LEU 53 11.501 -3.645 2.401 380 HA LEU 53 HA LEU 53 12.218 -3.530 -0.408 381 1HB LEU 53 1HB LEU 53 10.328 -2.264 1.507 382 2HB LEU 53 2HB LEU 53 10.701 -1.319 0.066 383 HG LEU 53 HG LEU 53 9.928 -3.056 -1.385 384 1HD1 LEU 53 1HD1 LEU 53 8.999 -5.183 0.002 385 2HD1 LEU 53 2HD1 LEU 53 10.357 -4.726 1.029 386 3HD1 LEU 53 3HD1 LEU 53 10.629 -5.112 -0.669 387 1HD2 LEU 53 1HD2 LEU 53 8.248 -1.766 0.279 388 2HD2 LEU 53 2HD2 LEU 53 7.901 -3.425 0.766 389 3HD2 LEU 53 3HD2 LEU 53 7.680 -2.934 -0.914 390 H ARG 54 H ARG 54 13.604 -2.066 -1.422 391 HA ARG 54 HA ARG 54 15.753 -0.831 -0.218 392 1HB ARG 54 1HB ARG 54 14.080 0.160 -2.550 393 2HB ARG 54 2HB ARG 54 15.743 0.651 -2.225 394 1HG ARG 54 1HG ARG 54 16.051 -2.031 -2.160 395 2HG ARG 54 2HG ARG 54 14.692 -1.927 -3.279 396 1HD ARG 54 1HD ARG 54 16.039 -0.205 -4.586 397 2HD ARG 54 2HD ARG 54 17.423 -0.627 -3.556 398 HE ARG 54 HE ARG 54 16.228 -3.034 -4.542 399 1HH1 ARG 54 1HH1 ARG 54 18.667 -0.736 -5.051 400 2HH1 ARG 54 2HH1 ARG 54 19.143 -1.348 -6.599 401 1HH2 ARG 54 1HH2 ARG 54 16.549 -3.643 -6.786 402 2HH2 ARG 54 2HH2 ARG 54 17.945 -2.993 -7.582 403 H LYS 55 H LYS 55 12.469 0.471 -0.490 404 HA LYS 55 HA LYS 55 12.487 2.055 1.822 405 1HB LYS 55 1HB LYS 55 12.925 4.331 0.675 406 2HB LYS 55 2HB LYS 55 14.328 3.329 1.020 407 1HG LYS 55 1HG LYS 55 14.782 3.816 -1.187 408 2HG LYS 55 2HG LYS 55 13.767 2.401 -1.447 409 1HD LYS 55 1HD LYS 55 13.116 4.358 -2.867 410 2HD LYS 55 2HD LYS 55 11.817 3.810 -1.810 411 1HE LYS 55 1HE LYS 55 11.764 5.808 -0.731 412 2HE LYS 55 2HE LYS 55 13.524 5.801 -0.508 413 1HZ LYS 55 1HZ LYS 55 13.864 6.828 -2.505 414 2HZ LYS 55 2HZ LYS 55 12.337 7.485 -2.149 415 3HZ LYS 55 3HZ LYS 55 12.471 6.171 -3.218 416 H SER 56 H SER 56 11.433 1.629 -1.470 417 HA SER 56 HA SER 56 8.669 1.800 -0.957 418 1HB SER 56 1HB SER 56 10.132 4.357 -1.213 419 2HB SER 56 2HB SER 56 8.674 4.248 -2.194 420 HG SER 56 HG SER 56 8.670 3.477 0.512 421 H ASN 57 H ASN 57 9.553 0.040 -2.576 422 HA ASN 57 HA ASN 57 9.597 1.136 -5.364 423 1HB ASN 57 1HB ASN 57 10.242 -1.605 -5.424 424 2HB ASN 57 2HB ASN 57 11.371 -0.260 -5.549 425 1HD2 ASN 57 1HD2 ASN 57 10.538 -2.978 -3.665 426 2HD2 ASN 57 2HD2 ASN 57 11.478 -2.610 -2.298 427 H PHE 58 H PHE 58 7.136 1.302 -4.696 428 HA PHE 58 HA PHE 58 5.716 -1.278 -5.126 429 1HB PHE 58 1HB PHE 58 4.888 1.500 -4.213 430 2HB PHE 58 2HB PHE 58 3.771 0.165 -4.339 431 HD1 PHE 58 1HD PHE 58 7.060 1.079 -2.814 432 HD2 PHE 58 2HD PHE 58 3.530 -1.358 -2.591 433 HE1 PHE 58 1HE PHE 58 7.806 0.195 -0.619 434 HE2 PHE 58 2HE PHE 58 4.274 -2.234 -0.396 435 HZ PHE 58 HZ PHE 58 6.413 -1.460 0.590 436 H ARG 59 H ARG 59 5.528 -1.716 -7.273 437 HA ARG 59 HA ARG 59 5.231 0.465 -9.252 438 1HB ARG 59 1HB ARG 59 5.130 -1.714 -10.763 439 2HB ARG 59 2HB ARG 59 6.650 -1.168 -10.072 440 1HG ARG 59 1HG ARG 59 6.611 -2.826 -8.374 441 2HG ARG 59 2HG ARG 59 4.893 -3.144 -8.613 442 1HD ARG 59 1HD ARG 59 5.501 -4.840 -9.999 443 2HD ARG 59 2HD ARG 59 6.110 -3.612 -11.125 444 HE ARG 59 HE ARG 59 8.068 -3.898 -9.113 445 1HH1 ARG 59 1HH1 ARG 59 6.416 -6.480 -10.473 446 2HH1 ARG 59 2HH1 ARG 59 7.810 -7.239 -11.167 447 1HH2 ARG 59 1HH2 ARG 59 9.933 -4.591 -10.454 448 2HH2 ARG 59 2HH2 ARG 59 9.801 -6.169 -11.156 449 H VAL 60 H VAL 60 3.195 1.285 -8.970 450 HA VAL 60 HA VAL 60 0.832 -0.456 -8.783 451 HB VAL 60 HB VAL 60 1.335 1.709 -7.526 452 1HG1 VAL 60 1HG1 VAL 60 2.105 2.967 -9.530 453 2HG1 VAL 60 2HG1 VAL 60 0.786 3.789 -8.695 454 3HG1 VAL 60 3HG1 VAL 60 0.467 2.893 -10.181 455 1HG2 VAL 60 1HG2 VAL 60 -1.145 0.788 -8.794 456 2HG2 VAL 60 2HG2 VAL 60 -1.183 2.496 -8.364 457 3HG2 VAL 60 3HG2 VAL 60 -0.859 1.283 -7.127 458 H GLN 61 H GLN 61 -0.913 -0.398 -10.232 459 HA GLN 61 HA GLN 61 -0.648 0.954 -12.837 460 1HB GLN 61 1HB GLN 61 -0.693 -1.189 -14.061 461 2HB GLN 61 2HB GLN 61 0.715 -1.124 -13.003 462 1HG GLN 61 1HG GLN 61 -0.385 -2.505 -11.351 463 2HG GLN 61 2HG GLN 61 -1.914 -2.420 -12.228 464 1HE2 GLN 61 1HE2 GLN 61 -2.140 -4.625 -12.845 465 2HE2 GLN 61 2HE2 GLN 61 -1.009 -5.451 -13.803 466 H LEU 62 H LEU 62 -2.678 0.615 -14.119 467 HA LEU 62 HA LEU 62 -4.976 -0.653 -12.812 468 1HB LEU 62 1HB LEU 62 -4.276 1.797 -11.880 469 2HB LEU 62 2HB LEU 62 -5.323 2.272 -13.219 470 HG LEU 62 HG LEU 62 -7.144 0.926 -12.331 471 1HD1 LEU 62 1HD1 LEU 62 -4.965 -0.083 -10.539 472 2HD1 LEU 62 2HD1 LEU 62 -6.240 -0.980 -11.359 473 3HD1 LEU 62 3HD1 LEU 62 -6.611 -0.045 -9.914 474 1HD2 LEU 62 1HD2 LEU 62 -5.984 2.355 -9.935 475 2HD2 LEU 62 2HD2 LEU 62 -7.667 2.261 -10.450 476 3HD2 LEU 62 3HD2 LEU 62 -6.525 3.255 -11.353 477 H PHE 63 H PHE 63 -4.880 -1.652 -15.008 478 HA PHE 63 HA PHE 63 -5.804 0.171 -17.198 479 1HB PHE 63 1HB PHE 63 -3.759 -1.005 -17.688 480 2HB PHE 63 2HB PHE 63 -4.435 -2.532 -17.119 481 HD1 PHE 63 1HD PHE 63 -6.005 -3.802 -18.477 482 HD2 PHE 63 2HD PHE 63 -4.465 -0.027 -19.829 483 HE1 PHE 63 1HE PHE 63 -6.859 -4.270 -20.758 484 HE2 PHE 63 2HE PHE 63 -5.320 -0.495 -22.110 485 HZ PHE 63 HZ PHE 63 -6.517 -2.617 -22.574 486 H GLU 64 H GLU 64 -8.009 0.100 -17.438 487 HA GLU 64 HA GLU 64 -9.683 -1.995 -16.379 488 1HB GLU 64 1HB GLU 64 -10.210 0.114 -18.500 489 2HB GLU 64 2HB GLU 64 -11.438 -0.739 -17.563 490 1HG GLU 64 1HG GLU 64 -9.252 0.778 -16.157 491 2HG GLU 64 2HG GLU 64 -10.661 1.637 -16.780 492 H ASP 65 H ASP 65 -9.969 -3.998 -17.264 493 HA ASP 65 HA ASP 65 -9.895 -4.275 -20.241 494 1HB ASP 65 1HB ASP 65 -8.435 -6.218 -19.986 495 2HB ASP 65 2HB ASP 65 -7.694 -4.838 -19.175 Start of MODEL 20 1 1H MET 1 1HT MET 1 -9.345 -4.742 -6.367 2 2H MET 1 2HT MET 1 -10.729 -4.440 -7.305 3 3H MET 1 3HT MET 1 -9.488 -5.431 -7.910 4 HA MET 1 HA MET 1 -11.203 -6.899 -7.218 5 1HB MET 1 1HB MET 1 -8.666 -6.568 -5.741 6 2HB MET 1 2HB MET 1 -9.839 -7.620 -4.950 7 1HG MET 1 1HG MET 1 -8.866 -9.183 -6.331 8 2HG MET 1 2HG MET 1 -10.064 -8.555 -7.462 9 1HE MET 1 1HE MET 1 -5.890 -7.382 -6.672 10 2HE MET 1 2HE MET 1 -5.854 -8.959 -7.458 11 3HE MET 1 3HE MET 1 -6.854 -8.717 -6.027 12 H ASP 2 H ASP 2 -10.413 -4.459 -4.764 13 HA ASP 2 HA ASP 2 -11.771 -3.507 -3.075 14 1HB ASP 2 1HB ASP 2 -14.008 -5.133 -4.313 15 2HB ASP 2 2HB ASP 2 -14.124 -3.583 -3.483 16 H ASP 3 H ASP 3 -12.998 -6.833 -3.677 17 HA ASP 3 HA ASP 3 -13.297 -7.366 -0.823 18 1HB ASP 3 1HB ASP 3 -14.690 -8.262 -2.745 19 2HB ASP 3 2HB ASP 3 -13.313 -9.277 -3.176 20 H GLN 4 H GLN 4 -10.610 -7.306 -2.851 21 HA GLN 4 HA GLN 4 -8.975 -8.746 -0.877 22 1HB GLN 4 1HB GLN 4 -10.151 -10.353 -2.605 23 2HB GLN 4 2HB GLN 4 -8.894 -9.776 -3.700 24 1HG GLN 4 1HG GLN 4 -7.160 -10.489 -2.129 25 2HG GLN 4 2HG GLN 4 -8.387 -10.981 -0.961 26 1HE2 GLN 4 1HE2 GLN 4 -9.654 -12.924 -1.457 27 2HE2 GLN 4 2HE2 GLN 4 -9.151 -14.020 -2.651 28 H GLY 5 H GLY 5 -8.736 -6.098 -1.519 29 1HA GLY 5 1HA GLY 5 -6.330 -6.032 -3.298 30 2HA GLY 5 2HA GLY 5 -7.498 -4.711 -3.246 31 H CYS 6 H CYS 6 -6.970 -3.048 -1.886 32 HA CYS 6 HA CYS 6 -4.669 -2.667 -0.481 33 1HB CYS 6 1HB CYS 6 -6.250 -0.889 -0.637 34 2HB CYS 6 2HB CYS 6 -7.514 -1.832 0.115 35 HA PRO 7 HA PRO 7 -5.102 -5.701 2.803 36 1HB PRO 7 1HB PRO 7 -2.412 -6.001 3.189 37 2HB PRO 7 2HB PRO 7 -3.299 -6.814 1.886 38 1HG PRO 7 1HG PRO 7 -1.409 -4.577 1.763 39 2HG PRO 7 2HG PRO 7 -1.929 -5.683 0.487 40 1HD PRO 7 1HD PRO 7 -2.815 -2.996 0.994 41 2HD PRO 7 2HD PRO 7 -3.305 -4.087 -0.318 42 H ARG 8 H ARG 8 -3.580 -2.559 2.778 43 HA ARG 8 HA ARG 8 -3.145 -2.612 5.730 44 1HB ARG 8 1HB ARG 8 -1.613 -1.701 3.701 45 2HB ARG 8 2HB ARG 8 -2.510 -0.222 4.056 46 1HG ARG 8 1HG ARG 8 -1.507 0.046 6.088 47 2HG ARG 8 2HG ARG 8 -1.468 -1.689 6.413 48 1HD ARG 8 1HD ARG 8 0.589 -1.953 5.392 49 2HD ARG 8 2HD ARG 8 0.266 -0.686 4.189 50 HE ARG 8 HE ARG 8 1.114 0.901 5.745 51 1HH1 ARG 8 1HH1 ARG 8 2.900 -1.150 6.887 52 2HH1 ARG 8 2HH1 ARG 8 2.482 -1.137 8.568 53 1HH2 ARG 8 1HH2 ARG 8 -0.529 0.514 8.079 54 2HH2 ARG 8 2HH2 ARG 8 0.541 -0.195 9.242 55 H CYS 9 H CYS 9 -4.432 -0.136 3.464 56 HA CYS 9 HA CYS 9 -6.292 0.756 5.622 57 1HB CYS 9 1HB CYS 9 -6.692 2.366 3.352 58 2HB CYS 9 2HB CYS 9 -5.758 2.779 4.777 59 H LYS 10 H LYS 10 -6.892 -1.750 4.464 60 HA LYS 10 HA LYS 10 -8.413 -2.318 2.389 61 1HB LYS 10 1HB LYS 10 -9.745 -3.743 3.787 62 2HB LYS 10 2HB LYS 10 -8.170 -3.581 4.565 63 1HG LYS 10 1HG LYS 10 -9.392 -1.512 5.737 64 2HG LYS 10 2HG LYS 10 -10.824 -2.480 5.383 65 1HD LYS 10 1HD LYS 10 -8.382 -3.345 6.966 66 2HD LYS 10 2HD LYS 10 -10.014 -3.094 7.590 67 1HE LYS 10 1HE LYS 10 -10.155 -4.928 5.377 68 2HE LYS 10 2HE LYS 10 -8.922 -5.497 6.520 69 1HZ LYS 10 1HZ LYS 10 -10.564 -4.991 8.316 70 2HZ LYS 10 2HZ LYS 10 -11.037 -6.259 7.289 71 3HZ LYS 10 3HZ LYS 10 -11.731 -4.719 7.117 72 H THR 11 H THR 11 -9.182 -0.190 1.451 73 HA THR 11 HA THR 11 -12.036 0.152 2.023 74 HB THR 11 HB THR 11 -10.593 1.351 3.840 75 HG1 THR 11 1HG THR 11 -12.315 3.141 2.578 76 1HG2 THR 11 1HG2 THR 11 -9.885 3.633 3.190 77 2HG2 THR 11 2HG2 THR 11 -10.325 3.289 1.516 78 3HG2 THR 11 3HG2 THR 11 -9.002 2.406 2.282 79 H THR 12 H THR 12 -9.161 1.639 0.627 80 HA THR 12 HA THR 12 -10.145 3.399 -1.210 81 HB THR 12 HB THR 12 -8.050 2.717 -2.463 82 HG1 THR 12 1HG THR 12 -7.003 0.994 -1.797 83 1HG2 THR 12 1HG2 THR 12 -7.173 4.184 -1.013 84 2HG2 THR 12 2HG2 THR 12 -7.081 2.925 0.221 85 3HG2 THR 12 3HG2 THR 12 -8.544 3.894 0.053 86 H LYS 13 H LYS 13 -8.825 0.820 -3.076 87 HA LYS 13 HA LYS 13 -10.536 0.946 -5.195 88 1HB LYS 13 1HB LYS 13 -9.448 -0.951 -5.894 89 2HB LYS 13 2HB LYS 13 -8.451 -0.557 -4.514 90 1HG LYS 13 1HG LYS 13 -10.836 -2.351 -4.177 91 2HG LYS 13 2HG LYS 13 -9.286 -2.986 -4.727 92 1HD LYS 13 1HD LYS 13 -8.200 -1.923 -2.766 93 2HD LYS 13 2HD LYS 13 -9.794 -1.421 -2.181 94 1HE LYS 13 1HE LYS 13 -9.925 -4.226 -2.811 95 2HE LYS 13 2HE LYS 13 -8.506 -3.959 -1.788 96 1HZ LYS 13 1HZ LYS 13 -11.279 -3.743 -1.132 97 2HZ LYS 13 2HZ LYS 13 -10.432 -2.323 -0.740 98 3HZ LYS 13 3HZ LYS 13 -9.937 -3.816 -0.102 99 H TYR 14 H TYR 14 -11.347 -0.462 -2.090 100 HA TYR 14 HA TYR 14 -13.734 -1.819 -3.066 101 1HB TYR 14 1HB TYR 14 -12.276 -2.214 -0.938 102 2HB TYR 14 2HB TYR 14 -13.214 -0.914 -0.231 103 HD1 TYR 14 1HD TYR 14 -15.617 -1.897 -2.259 104 HD2 TYR 14 2HD TYR 14 -13.303 -3.634 0.917 105 HE1 TYR 14 1HE TYR 14 -17.451 -3.503 -1.801 106 HE2 TYR 14 2HE TYR 14 -15.137 -5.238 1.375 107 HH TYR 14 HH TYR 14 -18.179 -5.132 -0.484 108 H ARG 15 H ARG 15 -13.040 1.235 -1.356 109 HA ARG 15 HA ARG 15 -15.811 2.208 -1.810 110 1HB ARG 15 1HB ARG 15 -13.425 2.916 -0.182 111 2HB ARG 15 2HB ARG 15 -14.398 4.276 -0.718 112 1HG ARG 15 1HG ARG 15 -15.700 3.806 1.085 113 2HG ARG 15 2HG ARG 15 -16.309 2.463 0.114 114 1HD ARG 15 1HD ARG 15 -13.948 2.334 2.027 115 2HD ARG 15 2HD ARG 15 -15.553 1.632 2.309 116 HE ARG 15 HE ARG 15 -13.554 0.685 0.307 117 1HH1 ARG 15 1HH2 ARG 15 -16.233 0.562 -0.951 118 2HH1 ARG 15 2HH2 ARG 15 -16.832 -0.982 -0.440 119 1HH2 ARG 15 1HH1 ARG 15 -14.529 -1.319 2.131 120 2HH2 ARG 15 2HH1 ARG 15 -15.865 -2.048 1.303 121 H ASN 16 H ASN 16 -12.531 3.468 -2.344 122 HA ASN 16 HA ASN 16 -13.287 5.318 -4.442 123 1HB ASN 16 1HB ASN 16 -10.864 4.284 -3.024 124 2HB ASN 16 2HB ASN 16 -10.591 5.076 -4.574 125 1HD2 ASN 16 1HD2 ASN 16 -9.595 6.320 -2.302 126 2HD2 ASN 16 2HD2 ASN 16 -10.511 7.706 -1.947 127 HA PRO 17 HA PRO 17 -13.334 2.009 -7.476 128 1HB PRO 17 1HB PRO 17 -14.231 3.547 -9.564 129 2HB PRO 17 2HB PRO 17 -15.290 2.915 -8.288 130 1HG PRO 17 1HG PRO 17 -14.156 5.641 -8.656 131 2HG PRO 17 2HG PRO 17 -15.734 5.151 -8.026 132 1HD PRO 17 1HD PRO 17 -13.587 5.953 -6.479 133 2HD PRO 17 2HD PRO 17 -14.940 4.960 -5.897 134 H SER 18 H SER 18 -12.538 4.990 -9.319 135 HA SER 18 HA SER 18 -10.640 4.058 -11.066 136 1HB SER 18 1HB SER 18 -9.449 6.355 -10.461 137 2HB SER 18 2HB SER 18 -11.063 6.360 -11.167 138 HG SER 18 HG SER 18 -10.335 7.344 -8.842 139 H LEU 19 H LEU 19 -10.283 4.591 -7.670 140 HA LEU 19 HA LEU 19 -7.799 4.483 -6.750 141 1HB LEU 19 1HB LEU 19 -10.148 3.873 -5.810 142 2HB LEU 19 2HB LEU 19 -9.713 2.218 -6.201 143 HG LEU 19 HG LEU 19 -9.206 2.943 -3.826 144 1HD1 LEU 19 1HD1 LEU 19 -7.286 1.599 -3.764 145 2HD1 LEU 19 2HD1 LEU 19 -6.770 2.133 -5.354 146 3HD1 LEU 19 3HD1 LEU 19 -8.146 1.065 -5.205 147 1HD2 LEU 19 1HD2 LEU 19 -6.858 4.344 -5.081 148 2HD2 LEU 19 2HD2 LEU 19 -7.443 4.458 -3.420 149 3HD2 LEU 19 3HD2 LEU 19 -8.346 5.221 -4.728 150 H LYS 20 H LYS 20 -5.921 3.024 -6.735 151 HA LYS 20 HA LYS 20 -6.305 0.393 -8.049 152 1HB LYS 20 1HB LYS 20 -4.319 0.948 -9.565 153 2HB LYS 20 2HB LYS 20 -5.800 1.838 -9.926 154 1HG LYS 20 1HG LYS 20 -4.939 3.720 -8.507 155 2HG LYS 20 2HG LYS 20 -3.419 2.840 -8.336 156 1HD LYS 20 1HD LYS 20 -3.295 4.508 -10.161 157 2HD LYS 20 2HD LYS 20 -3.125 2.866 -10.783 158 1HE LYS 20 1HE LYS 20 -4.723 4.361 -12.104 159 2HE LYS 20 2HE LYS 20 -5.440 2.844 -11.525 160 1HZ LYS 20 1HZ LYS 20 -6.564 3.921 -9.854 161 2HZ LYS 20 2HZ LYS 20 -6.582 5.142 -11.035 162 3HZ LYS 20 3HZ LYS 20 -5.454 5.200 -9.766 163 H LEU 21 H LEU 21 -4.477 -1.047 -7.655 164 HA LEU 21 HA LEU 21 -2.988 -0.236 -5.216 165 1HB LEU 21 1HB LEU 21 -4.015 -2.846 -6.335 166 2HB LEU 21 2HB LEU 21 -2.856 -2.814 -5.013 167 HG LEU 21 HG LEU 21 -4.401 -2.031 -3.491 168 1HD1 LEU 21 1HD1 LEU 21 -6.348 -0.618 -4.066 169 2HD1 LEU 21 2HD1 LEU 21 -5.938 -0.752 -5.776 170 3HD1 LEU 21 3HD1 LEU 21 -4.852 0.091 -4.673 171 1HD2 LEU 21 1HD2 LEU 21 -5.492 -4.012 -3.956 172 2HD2 LEU 21 2HD2 LEU 21 -5.805 -3.568 -5.634 173 3HD2 LEU 21 3HD2 LEU 21 -6.780 -2.870 -4.340 174 H MET 22 H MET 22 -0.773 -0.647 -5.044 175 HA MET 22 HA MET 22 0.582 -1.297 -7.616 176 1HB MET 22 1HB MET 22 2.220 0.005 -5.594 177 2HB MET 22 2HB MET 22 1.870 0.540 -7.216 178 1HG MET 22 1HG MET 22 -0.251 1.526 -6.465 179 2HG MET 22 2HG MET 22 0.053 0.950 -4.827 180 1HE MET 22 1HE MET 22 0.080 4.675 -4.941 181 2HE MET 22 2HE MET 22 -0.743 3.479 -5.939 182 3HE MET 22 3HE MET 22 0.465 4.539 -6.662 183 H VAL 23 H VAL 23 2.292 -2.794 -7.559 184 HA VAL 23 HA VAL 23 2.493 -4.374 -5.016 185 HB VAL 23 HB VAL 23 2.719 -5.125 -7.944 186 1HG1 VAL 23 1HG1 VAL 23 4.193 -6.335 -6.065 187 2HG1 VAL 23 2HG1 VAL 23 3.428 -7.244 -7.366 188 3HG1 VAL 23 3HG1 VAL 23 2.670 -7.173 -5.776 189 1HG2 VAL 23 1HG2 VAL 23 0.614 -5.267 -5.862 190 2HG2 VAL 23 2HG2 VAL 23 0.797 -6.706 -6.865 191 3HG2 VAL 23 3HG2 VAL 23 0.457 -5.146 -7.614 192 H ASN 24 H ASN 24 4.646 -5.192 -4.489 193 HA ASN 24 HA ASN 24 6.836 -3.594 -5.770 194 1HB ASN 24 1HB ASN 24 7.859 -3.996 -3.394 195 2HB ASN 24 2HB ASN 24 6.594 -2.785 -3.592 196 1HD2 ASN 24 1HD2 ASN 24 4.370 -3.413 -2.910 197 2HD2 ASN 24 2HD2 ASN 24 4.150 -4.663 -1.783 198 H VAL 25 H VAL 25 9.037 -4.633 -5.219 199 HA VAL 25 HA VAL 25 9.810 -6.714 -6.661 200 HB VAL 25 HB VAL 25 11.427 -5.679 -5.337 201 1HG1 VAL 25 1HG1 VAL 25 9.363 -5.879 -3.279 202 2HG1 VAL 25 2HG1 VAL 25 10.659 -4.698 -3.456 203 3HG1 VAL 25 3HG1 VAL 25 10.972 -6.234 -2.651 204 1HG2 VAL 25 1HG2 VAL 25 11.396 -8.016 -3.541 205 2HG2 VAL 25 2HG2 VAL 25 12.649 -7.462 -4.652 206 3HG2 VAL 25 3HG2 VAL 25 11.292 -8.411 -5.257 207 H CYS 26 H CYS 26 9.391 -7.800 -3.281 208 HA CYS 26 HA CYS 26 9.076 -10.488 -3.673 209 1HB CYS 26 1HB CYS 26 7.720 -10.472 -1.613 210 2HB CYS 26 2HB CYS 26 9.027 -9.292 -1.497 211 H GLY 27 H GLY 27 6.695 -8.031 -4.484 212 1HA GLY 27 1HA GLY 27 4.842 -8.233 -5.931 213 2HA GLY 27 2HA GLY 27 5.238 -9.939 -6.136 214 H HIS 28 H HIS 28 3.486 -7.615 -4.161 215 HA HIS 28 HA HIS 28 1.878 -9.887 -3.089 216 1HB HIS 28 1HB HIS 28 3.595 -7.943 -1.652 217 2HB HIS 28 2HB HIS 28 2.004 -8.223 -0.936 218 HD2 HIS 28 2HD HIS 28 1.936 -11.485 -1.893 219 HE1 HIS 28 1HE HIS 28 5.202 -11.782 0.752 220 HE2 HIS 28 2HE HIS 28 3.427 -13.093 -0.490 221 H THR 29 H THR 29 1.433 -6.716 -1.749 222 HA THR 29 HA THR 29 -0.420 -5.732 -3.757 223 HB THR 29 HB THR 29 -1.393 -7.278 -1.347 224 HG1 THR 29 1HG THR 29 -2.317 -7.284 -4.015 225 1HG2 THR 29 1HG2 THR 29 -2.492 -4.831 -2.431 226 2HG2 THR 29 2HG2 THR 29 -3.061 -5.792 -1.065 227 3HG2 THR 29 3HG2 THR 29 -3.610 -6.169 -2.697 228 H LEU 30 H LEU 30 -0.444 -3.574 -3.457 229 HA LEU 30 HA LEU 30 -0.503 -2.422 -0.717 230 1HB LEU 30 1HB LEU 30 1.864 -2.785 -1.355 231 2HB LEU 30 2HB LEU 30 1.593 -1.866 -2.827 232 HG LEU 30 HG LEU 30 0.693 -0.219 -0.765 233 1HD1 LEU 30 1HD1 LEU 30 2.786 -0.050 0.616 234 2HD1 LEU 30 2HD1 LEU 30 3.307 -1.571 -0.102 235 3HD1 LEU 30 3HD1 LEU 30 1.861 -1.523 0.904 236 1HD2 LEU 30 1HD2 LEU 30 1.753 1.093 -2.212 237 2HD2 LEU 30 2HD2 LEU 30 2.611 -0.285 -2.899 238 3HD2 LEU 30 3HD2 LEU 30 3.277 0.562 -1.502 239 H CYS 31 H CYS 31 -2.572 -1.599 -1.287 240 HA CYS 31 HA CYS 31 -3.341 -0.424 -3.702 241 1HB CYS 31 1HB CYS 31 -5.278 -0.008 -2.584 242 2HB CYS 31 2HB CYS 31 -4.530 -1.012 -1.373 243 H GLU 32 H GLU 32 -3.775 1.865 -4.208 244 HA GLU 32 HA GLU 32 -1.534 3.536 -4.181 245 1HB GLU 32 1HB GLU 32 -3.033 5.246 -4.905 246 2HB GLU 32 2HB GLU 32 -3.726 3.726 -5.467 247 1HG GLU 32 1HG GLU 32 -4.508 5.136 -2.903 248 2HG GLU 32 2HG GLU 32 -5.420 5.208 -4.410 249 H SER 33 H SER 33 -4.156 3.334 -1.788 250 HA SER 33 HA SER 33 -3.173 5.452 -0.095 251 1HB SER 33 1HB SER 33 -5.325 3.293 0.132 252 2HB SER 33 2HB SER 33 -4.897 4.320 1.502 253 HG SER 33 HG SER 33 -6.385 5.503 0.531 254 H CYS 34 H CYS 34 -2.202 2.163 -0.561 255 HA CYS 34 HA CYS 34 -1.262 1.816 2.219 256 1HB CYS 34 1HB CYS 34 -1.148 0.266 -0.361 257 2HB CYS 34 2HB CYS 34 -0.026 -0.134 0.942 258 H VAL 35 H VAL 35 0.280 2.218 -1.011 259 HA VAL 35 HA VAL 35 2.957 2.467 -0.311 260 HB VAL 35 HB VAL 35 1.195 3.247 -2.467 261 1HG1 VAL 35 1HG1 VAL 35 2.547 5.189 -3.310 262 2HG1 VAL 35 2HG1 VAL 35 3.337 5.271 -1.735 263 3HG1 VAL 35 3HG1 VAL 35 1.605 5.578 -1.871 264 1HG2 VAL 35 1HG2 VAL 35 3.850 2.211 -2.032 265 2HG2 VAL 35 2HG2 VAL 35 3.874 3.417 -3.310 266 3HG2 VAL 35 3HG2 VAL 35 2.808 2.019 -3.432 267 H ASP 36 H ASP 36 0.324 4.659 0.460 268 HA ASP 36 HA ASP 36 2.075 6.860 1.266 269 1HB ASP 36 1HB ASP 36 0.108 7.975 1.154 270 2HB ASP 36 2HB ASP 36 -0.598 6.473 0.571 271 H LEU 37 H LEU 37 -0.137 4.734 3.173 272 HA LEU 37 HA LEU 37 0.995 5.527 5.703 273 1HB LEU 37 1HB LEU 37 -1.017 3.726 4.606 274 2HB LEU 37 2HB LEU 37 -0.186 3.011 5.988 275 HG LEU 37 HG LEU 37 -2.112 4.289 6.777 276 1HD1 LEU 37 1HD1 LEU 37 0.643 4.914 7.453 277 2HD1 LEU 37 2HD1 LEU 37 -0.751 4.736 8.518 278 3HD1 LEU 37 3HD1 LEU 37 -0.413 6.292 7.762 279 1HD2 LEU 37 1HD2 LEU 37 -1.941 5.833 4.668 280 2HD2 LEU 37 2HD2 LEU 37 -0.875 6.806 5.681 281 3HD2 LEU 37 3HD2 LEU 37 -2.542 6.517 6.178 282 H LEU 38 H LEU 38 1.754 2.976 3.417 283 HA LEU 38 HA LEU 38 3.330 1.294 5.080 284 1HB LEU 38 1HB LEU 38 2.448 1.253 2.556 285 2HB LEU 38 2HB LEU 38 4.081 1.832 2.237 286 HG LEU 38 HG LEU 38 3.936 -0.647 2.143 287 1HD1 LEU 38 1HD1 LEU 38 5.506 -0.424 4.588 288 2HD1 LEU 38 2HD1 LEU 38 5.820 0.918 3.490 289 3HD1 LEU 38 3HD1 LEU 38 6.046 -0.739 2.939 290 1HD2 LEU 38 1HD2 LEU 38 3.646 -0.850 5.087 291 2HD2 LEU 38 2HD2 LEU 38 3.016 -1.903 3.819 292 3HD2 LEU 38 3HD2 LEU 38 2.184 -0.399 4.212 293 H PHE 39 H PHE 39 4.337 4.057 3.030 294 HA PHE 39 HA PHE 39 7.092 3.871 4.042 295 1HB PHE 39 1HB PHE 39 5.895 5.952 2.231 296 2HB PHE 39 2HB PHE 39 7.571 5.395 2.282 297 HD1 PHE 39 1HD PHE 39 6.599 2.399 2.721 298 HD2 PHE 39 2HD PHE 39 5.748 5.430 -0.195 299 HE1 PHE 39 1HE PHE 39 5.980 0.644 1.089 300 HE2 PHE 39 2HE PHE 39 5.139 3.677 -1.831 301 HZ PHE 39 HZ PHE 39 5.225 1.283 -1.177 302 H VAL 40 H VAL 40 4.370 6.180 4.341 303 HA VAL 40 HA VAL 40 5.747 8.306 5.575 304 HB VAL 40 HB VAL 40 3.563 8.774 6.657 305 1HG1 VAL 40 1HG1 VAL 40 3.832 7.994 3.805 306 2HG1 VAL 40 2HG1 VAL 40 3.394 9.549 4.510 307 3HG1 VAL 40 3HG1 VAL 40 2.193 8.263 4.399 308 1HG2 VAL 40 1HG2 VAL 40 2.932 5.968 5.716 309 2HG2 VAL 40 2HG2 VAL 40 1.722 7.121 6.284 310 3HG2 VAL 40 3HG2 VAL 40 2.973 6.544 7.384 311 H ARG 41 H ARG 41 5.152 5.104 6.762 312 HA ARG 41 HA ARG 41 5.710 5.811 9.577 313 1HB ARG 41 1HB ARG 41 5.449 3.077 8.303 314 2HB ARG 41 2HB ARG 41 5.116 3.528 9.975 315 1HG ARG 41 1HG ARG 41 3.577 4.831 7.740 316 2HG ARG 41 2HG ARG 41 3.119 3.225 8.303 317 1HD ARG 41 1HD ARG 41 3.602 5.040 10.542 318 2HD ARG 41 2HD ARG 41 2.328 5.642 9.463 319 HE ARG 41 HE ARG 41 1.026 3.904 10.407 320 1HH1 ARG 41 1HH1 ARG 41 3.161 3.023 12.333 321 2HH1 ARG 41 2HH1 ARG 41 3.407 1.373 11.866 322 1HH2 ARG 41 1HH2 ARG 41 1.832 1.732 8.798 323 2HH2 ARG 41 2HH2 ARG 41 2.652 0.642 9.864 324 H GLY 42 H GLY 42 7.387 4.543 6.757 325 1HA GLY 42 1HA GLY 42 9.970 4.965 7.872 326 2HA GLY 42 2HA GLY 42 9.564 3.263 8.075 327 H ALA 43 H ALA 43 7.986 3.194 5.527 328 HA ALA 43 HA ALA 43 8.405 2.882 3.184 329 1HB ALA 43 1HB ALA 43 9.759 4.498 2.228 330 2HB ALA 43 2HB ALA 43 11.012 4.322 3.456 331 3HB ALA 43 3HB ALA 43 9.544 5.232 3.818 332 H GLY 44 H GLY 44 8.915 0.747 2.887 333 1HA GLY 44 1HA GLY 44 10.879 -0.651 2.127 334 2HA GLY 44 2HA GLY 44 11.687 -0.122 3.602 335 H ASN 45 H ASN 45 8.260 -0.850 3.590 336 HA ASN 45 HA ASN 45 8.786 -3.508 4.849 337 1HB ASN 45 1HB ASN 45 6.988 -1.357 6.006 338 2HB ASN 45 2HB ASN 45 7.455 -2.878 6.766 339 1HD2 ASN 45 1HD2 ASN 45 8.545 0.387 5.994 340 2HD2 ASN 45 2HD2 ASN 45 9.991 0.314 6.881 341 H CYS 46 H CYS 46 7.807 -4.506 3.003 342 HA CYS 46 HA CYS 46 5.546 -3.941 1.545 343 1HB CYS 46 1HB CYS 46 7.025 -5.930 1.388 344 2HB CYS 46 2HB CYS 46 6.282 -6.579 2.843 345 HA PRO 47 HA PRO 47 2.221 -3.599 4.415 346 1HB PRO 47 1HB PRO 47 0.158 -4.151 2.686 347 2HB PRO 47 2HB PRO 47 1.031 -2.613 2.718 348 1HG PRO 47 1HG PRO 47 1.420 -4.975 0.927 349 2HG PRO 47 2HG PRO 47 1.327 -3.256 0.505 350 1HD PRO 47 1HD PRO 47 3.678 -4.544 0.717 351 2HD PRO 47 2HD PRO 47 3.500 -2.850 1.216 352 H GLU 48 H GLU 48 3.228 -6.493 2.981 353 HA GLU 48 HA GLU 48 1.412 -8.018 4.802 354 1HB GLU 48 1HB GLU 48 0.723 -9.433 3.092 355 2HB GLU 48 2HB GLU 48 0.855 -7.893 2.248 356 1HG GLU 48 1HG GLU 48 2.080 -9.150 0.787 357 2HG GLU 48 2HG GLU 48 3.379 -8.791 1.919 358 H CYS 49 H CYS 49 4.580 -8.034 3.088 359 HA CYS 49 HA CYS 49 5.410 -10.146 5.051 360 1HB CYS 49 1HB CYS 49 6.596 -11.258 3.360 361 2HB CYS 49 2HB CYS 49 5.158 -10.703 2.515 362 H GLY 50 H GLY 50 5.634 -7.031 4.761 363 1HA GLY 50 1HA GLY 50 7.329 -5.378 4.991 364 2HA GLY 50 2HA GLY 50 7.673 -6.388 6.391 365 H THR 51 H THR 51 8.206 -7.226 2.961 366 HA THR 51 HA THR 51 10.810 -8.295 3.409 367 HB THR 51 HB THR 51 9.135 -7.379 1.105 368 HG1 THR 51 1HG THR 51 10.421 -9.720 1.988 369 1HG2 THR 51 1HG2 THR 51 11.368 -8.408 -0.159 370 2HG2 THR 51 2HG2 THR 51 12.072 -7.354 1.064 371 3HG2 THR 51 3HG2 THR 51 10.925 -6.703 -0.105 372 HA PRO 52 HA PRO 52 13.262 -4.667 3.863 373 1HB PRO 52 1HB PRO 52 15.641 -5.595 2.848 374 2HB PRO 52 2HB PRO 52 15.025 -6.039 4.453 375 1HG PRO 52 1HG PRO 52 14.881 -7.540 1.868 376 2HG PRO 52 2HG PRO 52 15.259 -8.137 3.494 377 1HD PRO 52 1HD PRO 52 12.822 -8.443 2.353 378 2HD PRO 52 2HD PRO 52 13.030 -8.222 4.106 379 H LEU 53 H LEU 53 11.924 -3.603 2.137 380 HA LEU 53 HA LEU 53 12.738 -3.737 -0.649 381 1HB LEU 53 1HB LEU 53 10.884 -2.168 1.099 382 2HB LEU 53 2HB LEU 53 11.251 -1.525 -0.501 383 HG LEU 53 HG LEU 53 10.620 -3.768 -1.458 384 1HD1 LEU 53 1HD1 LEU 53 9.431 -5.352 -0.053 385 2HD1 LEU 53 2HD1 LEU 53 9.536 -4.263 1.330 386 3HD1 LEU 53 3HD1 LEU 53 10.995 -5.018 0.688 387 1HD2 LEU 53 1HD2 LEU 53 9.053 -1.730 -1.142 388 2HD2 LEU 53 2HD2 LEU 53 8.354 -2.646 0.194 389 3HD2 LEU 53 3HD2 LEU 53 8.298 -3.295 -1.445 390 H ARG 54 H ARG 54 13.418 -1.552 2.073 391 HA ARG 54 HA ARG 54 15.155 0.038 2.328 392 1HB ARG 54 1HB ARG 54 16.064 -1.990 0.627 393 2HB ARG 54 2HB ARG 54 16.453 -0.498 -0.229 394 1HG ARG 54 1HG ARG 54 17.536 0.363 1.847 395 2HG ARG 54 2HG ARG 54 17.217 -1.187 2.626 396 1HD ARG 54 1HD ARG 54 19.330 -1.673 1.825 397 2HD ARG 54 2HD ARG 54 18.439 -2.027 0.332 398 HE ARG 54 HE ARG 54 19.186 0.072 -0.550 399 1HH1 ARG 54 1HH1 ARG 54 21.584 -0.696 1.266 400 2HH1 ARG 54 2HH1 ARG 54 21.903 0.834 2.013 401 1HH2 ARG 54 1HH2 ARG 54 18.869 2.225 1.070 402 2HH2 ARG 54 2HH2 ARG 54 20.365 2.487 1.902 403 H LYS 55 H LYS 55 12.744 0.181 0.142 404 HA LYS 55 HA LYS 55 12.998 3.002 -0.341 405 1HB LYS 55 1HB LYS 55 14.837 2.228 -1.775 406 2HB LYS 55 2HB LYS 55 13.746 1.116 -2.600 407 1HG LYS 55 1HG LYS 55 13.125 4.062 -2.488 408 2HG LYS 55 2HG LYS 55 14.242 3.431 -3.700 409 1HD LYS 55 1HD LYS 55 12.103 1.658 -3.806 410 2HD LYS 55 2HD LYS 55 11.324 3.222 -3.566 411 1HE LYS 55 1HE LYS 55 13.349 2.552 -5.737 412 2HE LYS 55 2HE LYS 55 11.612 2.833 -5.971 413 1HZ LYS 55 1HZ LYS 55 12.314 4.960 -6.240 414 2HZ LYS 55 2HZ LYS 55 13.749 4.724 -5.366 415 3HZ LYS 55 3HZ LYS 55 12.284 4.976 -4.544 416 H SER 56 H SER 56 11.076 3.821 -1.274 417 HA SER 56 HA SER 56 8.728 2.194 -1.165 418 1HB SER 56 1HB SER 56 7.682 4.217 -2.137 419 2HB SER 56 2HB SER 56 8.823 4.644 -0.865 420 HG SER 56 HG SER 56 10.350 4.655 -2.839 421 H ASN 57 H ASN 57 9.503 0.358 -2.647 422 HA ASN 57 HA ASN 57 9.464 1.060 -5.553 423 1HB ASN 57 1HB ASN 57 10.375 -1.312 -5.714 424 2HB ASN 57 2HB ASN 57 11.385 -0.189 -4.798 425 1HD2 ASN 57 1HD2 ASN 57 9.157 -2.929 -4.509 426 2HD2 ASN 57 2HD2 ASN 57 9.544 -3.304 -2.901 427 H PHE 58 H PHE 58 7.046 1.310 -5.515 428 HA PHE 58 HA PHE 58 5.689 -1.363 -5.623 429 1HB PHE 58 1HB PHE 58 4.569 1.256 -4.537 430 2HB PHE 58 2HB PHE 58 3.748 -0.295 -4.538 431 HD1 PHE 58 1HD PHE 58 3.861 -1.644 -2.675 432 HD2 PHE 58 2HD PHE 58 7.019 1.180 -3.390 433 HE1 PHE 58 1HE PHE 58 4.941 -2.310 -0.545 434 HE2 PHE 58 2HE PHE 58 8.092 0.508 -1.258 435 HZ PHE 58 HZ PHE 58 7.053 -1.230 0.164 436 H ARG 59 H ARG 59 5.020 -1.683 -7.704 437 HA ARG 59 HA ARG 59 4.619 0.627 -9.510 438 1HB ARG 59 1HB ARG 59 4.261 -1.292 -11.162 439 2HB ARG 59 2HB ARG 59 5.843 -1.233 -10.391 440 1HG ARG 59 1HG ARG 59 5.334 -3.033 -8.946 441 2HG ARG 59 2HG ARG 59 3.599 -2.869 -9.213 442 1HD ARG 59 1HD ARG 59 4.003 -4.657 -10.633 443 2HD ARG 59 2HD ARG 59 4.400 -3.348 -11.762 444 HE ARG 59 HE ARG 59 6.366 -4.972 -10.207 445 1HH1 ARG 59 1HH2 ARG 59 5.765 -2.203 -12.174 446 2HH1 ARG 59 2HH2 ARG 59 7.312 -2.255 -12.946 447 1HH2 ARG 59 1HH1 ARG 59 8.319 -5.161 -11.353 448 2HH2 ARG 59 2HH1 ARG 59 8.755 -3.921 -12.481 449 H VAL 60 H VAL 60 2.663 1.574 -9.461 450 HA VAL 60 HA VAL 60 0.302 0.142 -8.480 451 HB VAL 60 HB VAL 60 0.946 2.382 -7.755 452 1HG1 VAL 60 1HG1 VAL 60 1.004 2.800 -10.673 453 2HG1 VAL 60 2HG1 VAL 60 1.856 3.669 -9.397 454 3HG1 VAL 60 3HG1 VAL 60 0.187 4.085 -9.785 455 1HG2 VAL 60 1HG2 VAL 60 -1.504 1.568 -7.982 456 2HG2 VAL 60 2HG2 VAL 60 -1.589 2.633 -9.386 457 3HG2 VAL 60 3HG2 VAL 60 -1.242 3.302 -7.791 458 H GLN 61 H GLN 61 -1.547 -0.284 -9.586 459 HA GLN 61 HA GLN 61 -2.238 0.589 -12.222 460 1HB GLN 61 1HB GLN 61 -1.634 -1.496 -13.438 461 2HB GLN 61 2HB GLN 61 -0.201 -0.705 -12.780 462 1HG GLN 61 1HG GLN 61 -0.038 -2.268 -10.992 463 2HG GLN 61 2HG GLN 61 -1.675 -2.866 -11.263 464 1HE2 GLN 61 1HE2 GLN 61 0.239 -4.822 -11.233 465 2HE2 GLN 61 2HE2 GLN 61 0.593 -5.364 -12.803 466 H LEU 62 H LEU 62 -4.236 -0.552 -12.943 467 HA LEU 62 HA LEU 62 -5.377 -2.500 -10.994 468 1HB LEU 62 1HB LEU 62 -5.829 0.182 -10.770 469 2HB LEU 62 2HB LEU 62 -7.159 -0.284 -11.824 470 HG LEU 62 HG LEU 62 -7.730 -0.401 -9.380 471 1HD1 LEU 62 1HD1 LEU 62 -8.809 -2.582 -9.514 472 2HD1 LEU 62 2HD1 LEU 62 -7.695 -3.088 -10.784 473 3HD1 LEU 62 3HD1 LEU 62 -8.868 -1.808 -11.098 474 1HD2 LEU 62 1HD2 LEU 62 -6.389 -2.923 -8.889 475 2HD2 LEU 62 2HD2 LEU 62 -6.364 -1.451 -7.918 476 3HD2 LEU 62 3HD2 LEU 62 -5.212 -1.659 -9.236 477 H PHE 63 H PHE 63 -5.327 -4.052 -12.731 478 HA PHE 63 HA PHE 63 -7.657 -4.130 -14.405 479 1HB PHE 63 1HB PHE 63 -6.044 -2.286 -15.366 480 2HB PHE 63 2HB PHE 63 -5.139 -3.667 -15.988 481 HD1 PHE 63 1HD PHE 63 -5.575 -3.730 -18.300 482 HD2 PHE 63 2HD PHE 63 -8.826 -3.206 -15.541 483 HE1 PHE 63 1HE PHE 63 -7.194 -3.948 -20.166 484 HE2 PHE 63 2HE PHE 63 -10.445 -3.423 -17.407 485 HZ PHE 63 HZ PHE 63 -9.629 -3.794 -19.720 486 H GLU 64 H GLU 64 -6.900 -6.135 -12.887 487 HA GLU 64 HA GLU 64 -4.925 -7.923 -14.074 488 1HB GLU 64 1HB GLU 64 -5.491 -7.813 -11.659 489 2HB GLU 64 2HB GLU 64 -7.124 -8.369 -12.027 490 1HG GLU 64 1HG GLU 64 -5.021 -10.070 -13.178 491 2HG GLU 64 2HG GLU 64 -4.986 -10.009 -11.415 492 H ASP 65 H ASP 65 -5.308 -9.581 -15.532 493 HA ASP 65 HA ASP 65 -8.058 -10.519 -16.060 494 1HB ASP 65 1HB ASP 65 -6.371 -8.958 -18.041 495 2HB ASP 65 2HB ASP 65 -7.814 -9.869 -18.492
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