NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5403 | 1hdl | 4910 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -24.157 18.343 24.948 2 H2 LYS 1 H2 LYS 1 -25.773 17.978 24.584 3 H3 LYS 1 H3 LYS 1 -25.378 18.685 26.078 4 HA LYS 1 HA LYS 1 -24.261 16.714 26.813 5 1HB LYS 1 1HB LYS 1 -26.955 16.298 25.479 6 2HB LYS 1 2HB LYS 1 -26.274 15.201 26.680 7 1HG LYS 1 1HG LYS 1 -26.131 17.104 28.285 8 2HG LYS 1 2HG LYS 1 -26.911 18.138 27.089 9 1HD LYS 1 1HD LYS 1 -28.875 16.626 27.081 10 2HD LYS 1 2HD LYS 1 -28.096 15.624 28.306 11 1HE LYS 1 1HE LYS 1 -29.667 17.176 29.393 12 2HE LYS 1 2HE LYS 1 -28.008 17.641 29.814 13 1HZ LYS 1 1HZ LYS 1 -29.138 18.712 27.335 14 2HZ LYS 1 2HZ LYS 1 -29.718 19.368 28.790 15 3HZ LYS 1 3HZ LYS 1 -28.061 19.436 28.432 16 H ASN 2 H ASN 2 -25.724 16.120 23.588 17 HA ASN 2 HA ASN 2 -24.098 13.732 23.149 18 1HB ASN 2 1HB ASN 2 -25.837 15.419 21.317 19 2HB ASN 2 2HB ASN 2 -25.244 13.799 20.952 20 2HD2 ASN 2 2HD2 ASN 2 -25.770 12.201 22.976 21 1HD2 ASN 2 1HD2 ASN 2 -27.373 12.294 23.527 22 H GLU 3 H GLU 3 -22.366 13.554 21.624 23 HA GLU 3 HA GLU 3 -20.642 15.872 21.396 24 1HB GLU 3 1HB GLU 3 -20.622 13.110 20.136 25 2HB GLU 3 2HB GLU 3 -19.269 14.239 20.076 26 1HG GLU 3 1HG GLU 3 -19.238 14.278 22.570 27 2HG GLU 3 2HG GLU 3 -20.521 13.068 22.579 28 H ASP 4 H ASP 4 -23.371 14.956 19.653 29 HA ASP 4 HA ASP 4 -22.495 15.718 16.973 30 1HB ASP 4 1HB ASP 4 -25.034 14.995 18.397 31 2HB ASP 4 2HB ASP 4 -25.149 15.762 16.813 32 H GLN 5 H GLN 5 -22.905 17.530 19.708 33 HA GLN 5 HA GLN 5 -23.850 19.919 18.155 34 1HB GLN 5 1HB GLN 5 -24.126 19.332 21.120 35 2HB GLN 5 2HB GLN 5 -24.868 20.667 20.239 36 1HG GLN 5 1HG GLN 5 -25.398 17.862 19.321 37 2HG GLN 5 2HG GLN 5 -26.250 18.465 20.742 38 2HE2 GLN 5 2HE2 GLN 5 -26.947 21.011 20.212 39 1HE2 GLN 5 1HE2 GLN 5 -27.818 21.154 18.762 40 H GLU 6 H GLU 6 -21.570 18.603 20.487 41 HA GLU 6 HA GLU 6 -19.868 21.038 20.120 42 1HB GLU 6 1HB GLU 6 -20.616 19.587 22.677 43 2HB GLU 6 2HB GLU 6 -19.346 20.806 22.583 44 1HG GLU 6 1HG GLU 6 -21.138 22.343 21.555 45 2HG GLU 6 2HG GLU 6 -22.312 21.156 22.124 46 H MET 7 H MET 7 -19.377 18.842 18.594 47 HA MET 7 HA MET 7 -17.984 16.627 19.438 48 1HB MET 7 1HB MET 7 -17.523 18.588 17.191 49 2HB MET 7 2HB MET 7 -16.538 17.133 17.338 50 1HG MET 7 1HG MET 7 -19.569 17.175 17.205 51 2HG MET 7 2HG MET 7 -18.504 16.779 15.857 52 1HE MET 7 1HE MET 7 -17.070 15.260 15.610 53 2HE MET 7 2HE MET 7 -16.502 14.012 16.716 54 3HE MET 7 3HE MET 7 -17.870 13.690 15.642 55 H CYS 8 H CYS 8 -16.692 19.947 19.290 56 HA CYS 8 HA CYS 8 -14.092 19.049 20.389 57 1HB CYS 8 1HB CYS 8 -15.264 21.663 19.410 58 2HB CYS 8 2HB CYS 8 -13.648 21.557 20.108 59 H HIS 9 H HIS 9 -14.331 18.575 22.581 60 HA HIS 9 HA HIS 9 -15.834 20.494 24.302 61 1HB HIS 9 1HB HIS 9 -14.703 17.714 24.761 62 2HB HIS 9 2HB HIS 9 -15.653 18.620 25.939 63 HD1 HIS 9 HD1 HIS 9 -18.127 19.383 24.996 64 HD2 HIS 9 HD2 HIS 9 -16.257 16.216 23.033 65 HE1 HIS 9 HE1 HIS 9 -19.936 18.176 23.699 66 H GLU 10 H GLU 10 -12.691 18.772 24.202 67 HA GLU 10 HA GLU 10 -11.590 20.539 26.294 68 1HB GLU 10 1HB GLU 10 -10.750 18.106 24.743 69 2HB GLU 10 2HB GLU 10 -9.530 19.037 25.611 70 1HG GLU 10 1HG GLU 10 -10.984 18.853 27.670 71 2HG GLU 10 2HG GLU 10 -12.009 17.734 26.770 72 H PHE 11 H PHE 11 -11.214 19.979 22.800 73 HA PHE 11 HA PHE 11 -8.992 21.787 22.431 74 1HB PHE 11 1HB PHE 11 -11.126 20.574 20.684 75 2HB PHE 11 2HB PHE 11 -9.910 21.658 20.020 76 HD1 PHE 11 HD1 PHE 11 -7.526 21.049 20.029 77 HD2 PHE 11 HD2 PHE 11 -10.533 18.342 21.474 78 HE1 PHE 11 HE1 PHE 11 -5.896 19.183 19.927 79 HE2 PHE 11 HE2 PHE 11 -8.904 16.478 21.371 80 HZ PHE 11 HZ PHE 11 -6.586 16.900 20.600 81 H GLN 12 H GLN 12 -12.471 22.227 22.662 82 HA GLN 12 HA GLN 12 -12.939 24.632 21.339 83 1HB GLN 12 1HB GLN 12 -14.607 23.332 22.608 84 2HB GLN 12 2HB GLN 12 -13.817 23.777 24.120 85 1HG GLN 12 1HG GLN 12 -14.195 26.224 23.367 86 2HG GLN 12 2HG GLN 12 -15.335 25.547 22.204 87 2HE2 GLN 12 2HE2 GLN 12 -17.401 25.853 23.068 88 1HE2 GLN 12 1HE2 GLN 12 -17.841 25.513 24.672 89 H ALA 13 H ALA 13 -11.502 24.207 24.584 90 HA ALA 13 HA ALA 13 -11.116 26.954 25.208 91 1HB ALA 13 1HB ALA 13 -8.963 25.470 26.261 92 2HB ALA 13 2HB ALA 13 -10.504 25.796 27.055 93 3HB ALA 13 3HB ALA 13 -10.292 24.320 26.113 94 H PHE 14 H PHE 14 -9.534 24.905 22.892 95 HA PHE 14 HA PHE 14 -7.103 26.567 22.733 96 1HB PHE 14 1HB PHE 14 -8.181 24.281 21.054 97 2HB PHE 14 2HB PHE 14 -6.548 24.931 20.961 98 HD1 PHE 14 HD1 PHE 14 -6.912 25.409 24.225 99 HD2 PHE 14 HD2 PHE 14 -6.914 22.084 21.504 100 HE1 PHE 14 HE1 PHE 14 -6.208 23.902 26.064 101 HE2 PHE 14 HE2 PHE 14 -6.211 20.579 23.342 102 HZ PHE 14 HZ PHE 14 -5.857 21.487 25.623 103 H MET 15 H MET 15 -10.123 27.314 21.889 104 HA MET 15 HA MET 15 -9.553 28.181 19.106 105 1HB MET 15 1HB MET 15 -11.932 28.434 18.983 106 2HB MET 15 2HB MET 15 -11.648 26.948 19.879 107 1HG MET 15 1HG MET 15 -11.735 28.510 21.980 108 2HG MET 15 2HG MET 15 -12.562 29.625 20.896 109 1HE MET 15 1HE MET 15 -14.101 29.701 22.519 110 2HE MET 15 2HE MET 15 -15.531 29.362 21.535 111 3HE MET 15 3HE MET 15 -15.270 28.492 23.045 112 H LYS 16 H LYS 16 -8.685 30.201 18.884 113 HA LYS 16 HA LYS 16 -9.143 32.236 21.010 114 1HB LYS 16 1HB LYS 16 -6.845 31.779 20.347 115 2HB LYS 16 2HB LYS 16 -7.250 32.017 18.648 116 1HG LYS 16 1HG LYS 16 -6.150 34.019 19.628 117 2HG LYS 16 2HG LYS 16 -7.790 34.371 19.084 118 1HD LYS 16 1HD LYS 16 -8.638 34.192 21.353 119 2HD LYS 16 2HD LYS 16 -7.065 33.652 21.940 120 1HE LYS 16 1HE LYS 16 -7.278 36.292 20.502 121 2HE LYS 16 2HE LYS 16 -7.709 36.183 22.220 122 1HZ LYS 16 1HZ LYS 16 -5.241 34.909 21.223 123 2HZ LYS 16 2HZ LYS 16 -5.244 36.572 21.559 124 3HZ LYS 16 3HZ LYS 16 -5.603 35.457 22.790 125 H ASN 17 H ASN 17 -11.368 32.712 20.343 126 HA ASN 17 HA ASN 17 -12.966 33.996 19.183 127 1HB ASN 17 1HB ASN 17 -10.426 35.200 18.038 128 2HB ASN 17 2HB ASN 17 -12.019 35.956 18.027 129 2HD2 ASN 17 2HD2 ASN 17 -9.212 36.301 19.590 130 1HD2 ASN 17 1HD2 ASN 17 -9.749 36.671 21.156 131 H GLY 18 H GLY 18 -12.650 31.516 18.072 132 1HA GLY 18 1HA GLY 18 -13.088 32.096 15.205 133 2HA GLY 18 2HA GLY 18 -13.503 30.594 16.028 134 H LYS 19 H LYS 19 -10.382 31.587 16.874 135 HA LYS 19 HA LYS 19 -9.105 30.143 14.601 136 1HB LYS 19 1HB LYS 19 -8.383 32.434 15.413 137 2HB LYS 19 2HB LYS 19 -7.857 31.661 16.909 138 1HG LYS 19 1HG LYS 19 -6.916 30.491 14.322 139 2HG LYS 19 2HG LYS 19 -6.178 31.998 14.864 140 1HD LYS 19 1HD LYS 19 -6.481 29.794 16.863 141 2HD LYS 19 2HD LYS 19 -5.221 29.629 15.640 142 1HE LYS 19 1HE LYS 19 -4.767 32.192 16.368 143 2HE LYS 19 2HE LYS 19 -5.429 31.572 17.892 144 1HZ LYS 19 1HZ LYS 19 -3.556 29.851 16.458 145 2HZ LYS 19 2HZ LYS 19 -2.893 31.227 17.195 146 3HZ LYS 19 3HZ LYS 19 -3.744 30.091 18.129 147 H LEU 20 H LEU 20 -8.977 27.950 14.962 148 HA LEU 20 HA LEU 20 -8.618 26.939 17.735 149 1HB LEU 20 1HB LEU 20 -10.263 26.134 15.841 150 2HB LEU 20 2HB LEU 20 -8.847 25.267 15.244 151 HG LEU 20 HG LEU 20 -10.167 24.999 17.957 152 1HD1 LEU 20 1HD1 LEU 20 -10.626 23.689 15.575 153 2HD1 LEU 20 2HD1 LEU 20 -9.461 22.628 16.365 154 3HD1 LEU 20 3HD1 LEU 20 -10.977 23.028 17.172 155 1HD2 LEU 20 1HD2 LEU 20 -7.462 24.079 16.972 156 2HD2 LEU 20 2HD2 LEU 20 -7.840 24.966 18.449 157 3HD2 LEU 20 3HD2 LEU 20 -8.296 23.268 18.298 158 H PHE 21 H PHE 21 -6.432 27.128 18.273 159 HA PHE 21 HA PHE 21 -4.368 26.404 16.272 160 1HB PHE 21 1HB PHE 21 -2.877 27.044 18.309 161 2HB PHE 21 2HB PHE 21 -3.801 28.320 17.523 162 HD1 PHE 21 HD1 PHE 21 -3.673 26.067 20.472 163 HD2 PHE 21 HD2 PHE 21 -5.593 29.449 18.647 164 HE1 PHE 21 HE1 PHE 21 -4.800 26.586 22.618 165 HE2 PHE 21 HE2 PHE 21 -6.717 29.969 20.795 166 HZ PHE 21 HZ PHE 21 -6.321 28.538 22.780 167 H CYS 22 H CYS 22 -5.513 24.134 16.446 168 HA CYS 22 HA CYS 22 -5.286 22.397 18.625 169 1HB CYS 22 1HB CYS 22 -6.056 22.251 16.023 170 2HB CYS 22 2HB CYS 22 -4.565 21.311 15.963 171 HA PRO 23 HA PRO 23 -0.813 21.252 17.120 172 1HB PRO 23 1HB PRO 23 0.266 23.597 15.848 173 2HB PRO 23 2HB PRO 23 0.009 21.997 15.148 174 1HG PRO 23 1HG PRO 23 -1.442 24.391 14.586 175 2HG PRO 23 2HG PRO 23 -1.757 22.772 13.958 176 1HD PRO 23 1HD PRO 23 -3.273 24.273 15.930 177 2HD PRO 23 2HD PRO 23 -3.671 22.705 15.194 178 H GLN 24 H GLN 24 -0.891 21.664 19.486 179 HA GLN 24 HA GLN 24 0.581 24.159 20.274 180 1HB GLN 24 1HB GLN 24 -1.675 24.227 21.095 181 2HB GLN 24 2HB GLN 24 -1.600 22.545 21.618 182 1HG GLN 24 1HG GLN 24 0.181 23.174 23.253 183 2HG GLN 24 2HG GLN 24 -0.017 24.859 22.776 184 2HE2 GLN 24 2HE2 GLN 24 -1.893 22.084 24.094 185 1HE2 GLN 24 1HE2 GLN 24 -2.987 23.044 24.968 186 H ASP 25 H ASP 25 -0.199 21.351 22.263 187 HA ASP 25 HA ASP 25 2.725 20.682 22.385 188 1HB ASP 25 1HB ASP 25 1.424 21.954 24.322 189 2HB ASP 25 2HB ASP 25 0.867 20.326 24.712 190 H LYS 26 H LYS 26 1.806 19.105 20.632 191 HA LYS 26 HA LYS 26 0.016 16.987 21.348 192 1HB LYS 26 1HB LYS 26 2.038 17.601 19.245 193 2HB LYS 26 2HB LYS 26 1.519 15.922 19.390 194 1HG LYS 26 1HG LYS 26 -0.841 16.642 19.212 195 2HG LYS 26 2HG LYS 26 -0.315 18.317 19.051 196 1HD LYS 26 1HD LYS 26 1.094 17.495 17.055 197 2HD LYS 26 2HD LYS 26 0.122 16.025 17.131 198 1HE LYS 26 1HE LYS 26 -1.944 17.404 16.906 199 2HE LYS 26 2HE LYS 26 -0.932 18.854 16.754 200 1HZ LYS 26 1HZ LYS 26 -0.525 16.450 15.066 201 2HZ LYS 26 2HZ LYS 26 -1.579 17.694 14.603 202 3HZ LYS 26 3HZ LYS 26 0.074 18.020 14.817 203 H LYS 27 H LYS 27 3.142 17.631 22.501 204 HA LYS 27 HA LYS 27 4.566 15.279 22.668 205 1HB LYS 27 1HB LYS 27 3.908 17.444 24.659 206 2HB LYS 27 2HB LYS 27 4.984 16.122 25.107 207 1HG LYS 27 1HG LYS 27 6.477 16.652 23.254 208 2HG LYS 27 2HG LYS 27 5.366 17.894 22.676 209 1HD LYS 27 1HD LYS 27 5.642 19.023 24.941 210 2HD LYS 27 2HD LYS 27 6.959 17.892 25.251 211 1HE LYS 27 1HE LYS 27 8.163 18.708 23.269 212 2HE LYS 27 2HE LYS 27 6.820 19.802 22.887 213 1HZ LYS 27 1HZ LYS 27 8.017 19.823 25.581 214 2HZ LYS 27 2HZ LYS 27 8.791 20.660 24.325 215 3HZ LYS 27 3HZ LYS 27 7.201 21.068 24.763 216 H PHE 28 H PHE 28 1.456 15.952 24.159 217 HA PHE 28 HA PHE 28 1.312 13.966 26.150 218 1HB PHE 28 1HB PHE 28 -0.846 14.776 24.176 219 2HB PHE 28 2HB PHE 28 -1.088 14.189 25.820 220 HD1 PHE 28 HD1 PHE 28 0.756 15.596 27.473 221 HD2 PHE 28 HD2 PHE 28 -1.365 17.046 24.031 222 HE1 PHE 28 HE1 PHE 28 0.948 17.916 28.329 223 HE2 PHE 28 HE2 PHE 28 -1.176 19.363 24.888 224 HZ PHE 28 HZ PHE 28 -0.019 19.800 27.036 225 H PHE 29 H PHE 29 1.500 13.620 22.705 226 HA PHE 29 HA PHE 29 0.203 11.235 22.102 227 1HB PHE 29 1HB PHE 29 1.573 12.716 20.603 228 2HB PHE 29 2HB PHE 29 3.028 12.020 21.314 229 HD1 PHE 29 HD1 PHE 29 3.279 9.446 21.228 230 HD2 PHE 29 HD2 PHE 29 0.504 11.649 18.798 231 HE1 PHE 29 HE1 PHE 29 3.131 7.531 19.660 232 HE2 PHE 29 HE2 PHE 29 0.357 9.733 17.230 233 HZ PHE 29 HZ PHE 29 1.671 7.674 17.660 234 H GLN 30 H GLN 30 2.975 11.705 24.173 235 HA GLN 30 HA GLN 30 3.982 9.007 24.168 236 1HB GLN 30 1HB GLN 30 4.105 11.348 26.086 237 2HB GLN 30 2HB GLN 30 5.018 9.859 26.338 238 1HG GLN 30 1HG GLN 30 5.413 10.652 23.632 239 2HG GLN 30 2HG GLN 30 5.657 12.080 24.637 240 2HE2 GLN 30 2HE2 GLN 30 7.436 9.727 23.266 241 1HE2 GLN 30 1HE2 GLN 30 8.628 9.497 24.451 242 H SER 31 H SER 31 1.041 10.221 25.288 243 HA SER 31 HA SER 31 0.758 7.917 27.190 244 1HB SER 31 1HB SER 31 -0.275 10.764 27.404 245 2HB SER 31 2HB SER 31 -0.684 9.468 28.528 246 HG SER 31 HG SER 31 1.422 9.343 29.157 247 H LEU 32 H LEU 32 -1.584 7.269 27.447 248 HA LEU 32 HA LEU 32 -2.870 6.878 24.917 249 1HB LEU 32 1HB LEU 32 -2.974 5.637 27.236 250 2HB LEU 32 2HB LEU 32 -4.296 6.760 27.557 251 HG LEU 32 HG LEU 32 -4.186 5.117 25.025 252 1HD1 LEU 32 1HD1 LEU 32 -5.029 4.343 27.788 253 2HD1 LEU 32 2HD1 LEU 32 -6.015 3.786 26.436 254 3HD1 LEU 32 3HD1 LEU 32 -4.307 3.354 26.519 255 1HD2 LEU 32 1HD2 LEU 32 -6.092 6.941 26.386 256 2HD2 LEU 32 2HD2 LEU 32 -5.860 6.637 24.664 257 3HD2 LEU 32 3HD2 LEU 32 -6.796 5.506 25.641 258 H ASP 33 H ASP 33 -3.763 8.964 27.678 259 HA ASP 33 HA ASP 33 -6.042 10.194 26.542 260 1HB ASP 33 1HB ASP 33 -3.889 11.271 28.397 261 2HB ASP 33 2HB ASP 33 -5.467 12.023 28.162 262 H GLY 34 H GLY 34 -2.596 10.986 26.235 263 1HA GLY 34 1HA GLY 34 -1.494 12.468 24.774 264 2HA GLY 34 2HA GLY 34 -3.011 13.357 24.635 265 H ILE 35 H ILE 35 -2.164 9.988 23.853 266 HA ILE 35 HA ILE 35 -2.087 10.212 21.036 267 HB ILE 35 HB ILE 35 -2.749 8.076 23.046 268 1HG1 ILE 35 1HG1 ILE 35 -0.402 8.777 22.534 269 2HG1 ILE 35 2HG1 ILE 35 -0.709 7.081 22.157 270 1HG2 ILE 35 1HG2 ILE 35 -4.258 7.658 21.113 271 2HG2 ILE 35 2HG2 ILE 35 -2.862 7.695 20.036 272 3HG2 ILE 35 3HG2 ILE 35 -3.006 6.423 21.248 273 1HD1 ILE 35 1HD1 ILE 35 -1.318 8.911 19.936 274 2HD1 ILE 35 2HD1 ILE 35 0.381 8.913 20.407 275 3HD1 ILE 35 3HD1 ILE 35 -0.399 7.406 19.931 276 H MET 36 H MET 36 -4.822 9.914 23.261 277 HA MET 36 HA MET 36 -6.832 9.588 21.182 278 1HB MET 36 1HB MET 36 -6.684 10.062 24.122 279 2HB MET 36 2HB MET 36 -8.195 10.481 23.315 280 1HG MET 36 1HG MET 36 -6.800 7.791 23.140 281 2HG MET 36 2HG MET 36 -8.224 8.137 24.121 282 1HE MET 36 1HE MET 36 -10.215 8.320 23.670 283 2HE MET 36 2HE MET 36 -10.664 9.418 22.357 284 3HE MET 36 3HE MET 36 -11.073 7.708 22.258 285 H PHE 37 H PHE 37 -6.342 12.329 23.460 286 HA PHE 37 HA PHE 37 -7.908 14.228 22.162 287 1HB PHE 37 1HB PHE 37 -7.053 15.369 23.919 288 2HB PHE 37 2HB PHE 37 -5.846 14.107 24.148 289 HD1 PHE 37 HD1 PHE 37 -3.613 14.298 23.098 290 HD2 PHE 37 HD2 PHE 37 -6.516 17.443 22.811 291 HE1 PHE 37 HE1 PHE 37 -1.841 15.860 22.353 292 HE2 PHE 37 HE2 PHE 37 -4.744 19.010 22.063 293 HZ PHE 37 HZ PHE 37 -2.408 18.210 21.832 294 H ILE 38 H ILE 38 -4.437 13.560 21.506 295 HA ILE 38 HA ILE 38 -4.022 15.347 19.380 296 HB ILE 38 HB ILE 38 -3.040 12.542 19.957 297 1HG1 ILE 38 1HG1 ILE 38 -1.956 15.338 20.363 298 2HG1 ILE 38 2HG1 ILE 38 -2.296 14.121 21.591 299 1HG2 ILE 38 1HG2 ILE 38 -2.899 13.090 17.505 300 2HG2 ILE 38 2HG2 ILE 38 -1.911 14.489 17.925 301 3HG2 ILE 38 3HG2 ILE 38 -1.326 12.861 18.269 302 1HD1 ILE 38 1HD1 ILE 38 -0.520 12.871 19.817 303 2HD1 ILE 38 2HD1 ILE 38 0.112 14.506 20.015 304 3HD1 ILE 38 3HD1 ILE 38 -0.142 13.481 21.428 305 H ASN 39 H ASN 39 -5.532 12.127 19.351 306 HA ASN 39 HA ASN 39 -5.884 11.964 16.492 307 1HB ASN 39 1HB ASN 39 -7.279 10.712 18.877 308 2HB ASN 39 2HB ASN 39 -7.601 10.233 17.212 309 2HD2 ASN 39 2HD2 ASN 39 -6.430 8.466 19.216 310 1HD2 ASN 39 1HD2 ASN 39 -4.863 8.078 18.694 311 H LYS 40 H LYS 40 -7.814 13.284 19.139 312 HA LYS 40 HA LYS 40 -10.085 13.963 17.398 313 1HB LYS 40 1HB LYS 40 -9.991 13.310 19.933 314 2HB LYS 40 2HB LYS 40 -9.559 15.001 20.181 315 1HG LYS 40 1HG LYS 40 -11.616 15.616 18.829 316 2HG LYS 40 2HG LYS 40 -12.077 13.915 18.895 317 1HD LYS 40 1HD LYS 40 -12.674 14.034 21.092 318 2HD LYS 40 2HD LYS 40 -11.330 15.101 21.498 319 1HE LYS 40 1HE LYS 40 -12.511 17.039 20.765 320 2HE LYS 40 2HE LYS 40 -13.719 16.069 19.901 321 1HZ LYS 40 1HZ LYS 40 -14.117 15.004 22.183 322 2HZ LYS 40 2HZ LYS 40 -13.318 16.357 22.820 323 3HZ LYS 40 3HZ LYS 40 -14.747 16.560 21.924 324 H CYS 41 H CYS 41 -7.071 15.342 18.273 325 HA CYS 41 HA CYS 41 -7.681 18.147 18.192 326 1HB CYS 41 1HB CYS 41 -5.597 17.362 19.083 327 2HB CYS 41 2HB CYS 41 -5.241 16.446 17.623 328 H ALA 42 H ALA 42 -5.856 16.367 15.708 329 HA ALA 42 HA ALA 42 -6.178 18.141 13.577 330 1HB ALA 42 1HB ALA 42 -4.940 15.825 13.912 331 2HB ALA 42 2HB ALA 42 -5.388 16.356 12.291 332 3HB ALA 42 3HB ALA 42 -6.387 15.177 13.140 333 H THR 43 H THR 43 -8.497 15.819 14.864 334 HA THR 43 HA THR 43 -10.374 16.101 12.632 335 HB THR 43 HB THR 43 -10.599 14.956 15.437 336 HG1 THR 43 HG1 THR 43 -10.395 12.982 14.195 337 1HG2 THR 43 1HG2 THR 43 -12.774 15.591 14.285 338 2HG2 THR 43 2HG2 THR 43 -12.367 14.404 13.046 339 3HG2 THR 43 3HG2 THR 43 -12.617 13.888 14.714 340 H CYS 44 H CYS 44 -10.410 17.089 16.078 341 HA CYS 44 HA CYS 44 -12.768 18.614 16.087 342 1HB CYS 44 1HB CYS 44 -11.554 18.116 18.104 343 2HB CYS 44 2HB CYS 44 -10.107 18.924 17.502 344 H LYS 45 H LYS 45 -9.640 19.355 14.692 345 HA LYS 45 HA LYS 45 -9.960 22.206 14.437 346 1HB LYS 45 1HB LYS 45 -7.807 21.087 14.262 347 2HB LYS 45 2HB LYS 45 -8.378 20.121 12.901 348 1HG LYS 45 1HG LYS 45 -8.897 22.567 11.915 349 2HG LYS 45 2HG LYS 45 -7.558 22.985 12.984 350 1HD LYS 45 1HD LYS 45 -6.350 20.953 11.908 351 2HD LYS 45 2HD LYS 45 -7.576 21.081 10.647 352 1HE LYS 45 1HE LYS 45 -6.934 23.468 10.297 353 2HE LYS 45 2HE LYS 45 -5.653 23.274 11.509 354 1HZ LYS 45 1HZ LYS 45 -5.936 21.399 9.235 355 2HZ LYS 45 2HZ LYS 45 -5.045 22.837 9.077 356 3HZ LYS 45 3HZ LYS 45 -4.579 21.667 10.217 357 H MET 46 H MET 46 -10.542 19.515 12.139 358 HA MET 46 HA MET 46 -11.532 21.145 10.002 359 1HB MET 46 1HB MET 46 -12.328 19.000 9.136 360 2HB MET 46 2HB MET 46 -10.746 18.775 9.877 361 1HG MET 46 1HG MET 46 -11.575 17.376 11.445 362 2HG MET 46 2HG MET 46 -12.927 18.450 11.795 363 1HE MET 46 1HE MET 46 -15.005 18.569 10.813 364 2HE MET 46 2HE MET 46 -14.592 18.759 9.111 365 3HE MET 46 3HE MET 46 -15.738 17.513 9.598 366 H ILE 47 H ILE 47 -12.977 20.034 12.962 367 HA ILE 47 HA ILE 47 -15.746 20.122 12.290 368 HB ILE 47 HB ILE 47 -14.319 20.877 14.865 369 1HG1 ILE 47 1HG1 ILE 47 -13.709 18.629 13.919 370 2HG1 ILE 47 2HG1 ILE 47 -14.530 18.539 15.475 371 1HG2 ILE 47 1HG2 ILE 47 -17.160 20.433 14.107 372 2HG2 ILE 47 2HG2 ILE 47 -16.632 19.707 15.625 373 3HG2 ILE 47 3HG2 ILE 47 -16.479 21.447 15.380 374 1HD1 ILE 47 1HD1 ILE 47 -16.093 18.396 12.904 375 2HD1 ILE 47 2HD1 ILE 47 -15.322 16.956 13.570 376 3HD1 ILE 47 3HD1 ILE 47 -16.547 17.814 14.506 377 H LEU 48 H LEU 48 -13.473 22.675 13.259 378 HA LEU 48 HA LEU 48 -15.477 24.780 13.378 379 1HB LEU 48 1HB LEU 48 -12.455 24.640 13.242 380 2HB LEU 48 2HB LEU 48 -13.317 26.176 13.339 381 HG LEU 48 HG LEU 48 -12.728 25.524 15.589 382 1HD1 LEU 48 1HD1 LEU 48 -15.164 26.295 14.937 383 2HD1 LEU 48 2HD1 LEU 48 -15.597 24.656 15.424 384 3HD1 LEU 48 3HD1 LEU 48 -14.827 25.745 16.578 385 1HD2 LEU 48 1HD2 LEU 48 -12.562 23.034 14.856 386 2HD2 LEU 48 2HD2 LEU 48 -13.089 23.384 16.501 387 3HD2 LEU 48 3HD2 LEU 48 -14.275 22.958 15.267 388 H GLU 49 H GLU 49 -13.122 23.659 10.950 389 HA GLU 49 HA GLU 49 -13.429 25.705 9.018 390 1HB GLU 49 1HB GLU 49 -13.013 22.715 8.689 391 2HB GLU 49 2HB GLU 49 -12.648 23.930 7.464 392 1HG GLU 49 1HG GLU 49 -11.052 25.007 9.028 393 2HG GLU 49 2HG GLU 49 -11.397 23.756 10.223 394 H LYS 50 H LYS 50 -15.579 23.081 9.901 395 HA LYS 50 HA LYS 50 -17.194 23.029 7.520 396 1HB LYS 50 1HB LYS 50 -17.635 22.315 10.430 397 2HB LYS 50 2HB LYS 50 -18.840 21.994 9.183 398 1HG LYS 50 1HG LYS 50 -15.977 21.052 8.937 399 2HG LYS 50 2HG LYS 50 -17.222 20.078 9.717 400 1HD LYS 50 1HD LYS 50 -18.596 20.249 7.635 401 2HD LYS 50 2HD LYS 50 -17.263 21.108 6.864 402 1HE LYS 50 1HE LYS 50 -16.875 18.381 8.125 403 2HE LYS 50 2HE LYS 50 -17.360 18.576 6.430 404 1HZ LYS 50 1HZ LYS 50 -15.032 19.947 7.674 405 2HZ LYS 50 2HZ LYS 50 -14.908 18.520 6.767 406 3HZ LYS 50 3HZ LYS 50 -15.457 19.949 6.029 407 H GLU 51 H GLU 51 -17.285 24.993 10.472 408 HA GLU 51 HA GLU 51 -19.861 26.190 10.054 409 1HB GLU 51 1HB GLU 51 -17.356 27.204 11.440 410 2HB GLU 51 2HB GLU 51 -18.984 27.833 11.693 411 1HG GLU 51 1HG GLU 51 -19.725 25.644 12.515 412 2HG GLU 51 2HG GLU 51 -18.127 24.967 12.203 413 H ALA 52 H ALA 52 -16.716 26.779 8.643 414 HA ALA 52 HA ALA 52 -17.209 29.479 7.720 415 1HB ALA 52 1HB ALA 52 -15.074 27.802 7.945 416 2HB ALA 52 2HB ALA 52 -15.064 29.253 6.943 417 3HB ALA 52 3HB ALA 52 -15.392 27.681 6.214 418 H LYS 53 H LYS 53 -18.111 26.310 6.568 419 HA LYS 53 HA LYS 53 -18.642 27.151 3.812 420 1HB LYS 53 1HB LYS 53 -19.187 24.710 5.513 421 2HB LYS 53 2HB LYS 53 -19.756 24.826 3.848 422 1HG LYS 53 1HG LYS 53 -17.427 25.242 3.098 423 2HG LYS 53 2HG LYS 53 -16.874 25.068 4.764 424 1HD LYS 53 1HD LYS 53 -17.763 22.762 4.815 425 2HD LYS 53 2HD LYS 53 -18.303 22.936 3.145 426 1HE LYS 53 1HE LYS 53 -16.006 23.206 2.374 427 2HE LYS 53 2HE LYS 53 -15.412 23.216 4.045 428 1HZ LYS 53 1HZ LYS 53 -17.112 21.004 3.086 429 2HZ LYS 53 2HZ LYS 53 -15.453 20.993 2.734 430 3HZ LYS 53 3HZ LYS 53 -15.978 21.009 4.350 431 H SER 54 H SER 54 -20.399 27.056 6.835 432 HA SER 54 HA SER 54 -23.066 27.151 5.672 433 1HB SER 54 1HB SER 54 -21.910 27.813 8.399 434 2HB SER 54 2HB SER 54 -23.639 27.747 8.054 435 HG SER 54 HG SER 54 -21.793 25.711 8.312 436 H GLN 55 H GLN 55 -20.570 29.487 6.311 437 HA GLN 55 HA GLN 55 -22.019 31.608 4.979 438 1HB GLN 55 1HB GLN 55 -22.471 32.992 6.934 439 2HB GLN 55 2HB GLN 55 -23.202 31.408 7.190 440 1HG GLN 55 1HG GLN 55 -21.170 30.725 8.474 441 2HG GLN 55 2HG GLN 55 -20.543 32.363 8.293 442 2HE2 GLN 55 2HE2 GLN 55 -20.687 32.930 10.550 443 1HE2 GLN 55 1HE2 GLN 55 -22.173 33.079 11.358 No H/Q in entry = 443 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -22.996 15.521 8.582 2 H2 LYS 1 H2 LYS 1 -21.870 14.612 7.693 3 H3 LYS 1 H3 LYS 1 -22.113 14.284 9.339 4 HA LYS 1 HA LYS 1 -20.206 15.521 9.500 5 1HB LYS 1 1HB LYS 1 -19.641 17.175 7.797 6 2HB LYS 1 2HB LYS 1 -20.229 15.718 6.995 7 1HG LYS 1 1HG LYS 1 -22.506 16.765 6.891 8 2HG LYS 1 2HG LYS 1 -21.808 18.248 7.541 9 1HD LYS 1 1HD LYS 1 -21.837 18.507 5.157 10 2HD LYS 1 2HD LYS 1 -20.161 18.180 5.600 11 1HE LYS 1 1HE LYS 1 -20.433 15.814 4.987 12 2HE LYS 1 2HE LYS 1 -22.143 16.094 4.608 13 1HZ LYS 1 1HZ LYS 1 -20.065 17.809 3.409 14 2HZ LYS 1 2HZ LYS 1 -20.379 16.283 2.729 15 3HZ LYS 1 3HZ LYS 1 -21.617 17.440 2.823 16 H ASN 2 H ASN 2 -22.613 15.880 10.954 17 HA ASN 2 HA ASN 2 -23.090 18.807 11.100 18 1HB ASN 2 1HB ASN 2 -24.900 17.040 11.123 19 2HB ASN 2 2HB ASN 2 -24.284 16.517 12.691 20 2HD2 ASN 2 2HD2 ASN 2 -26.417 17.202 13.618 21 1HD2 ASN 2 1HD2 ASN 2 -26.706 18.847 13.923 22 H GLU 3 H GLU 3 -21.878 20.013 12.504 23 HA GLU 3 HA GLU 3 -19.908 19.025 14.267 24 1HB GLU 3 1HB GLU 3 -21.562 21.569 14.351 25 2HB GLU 3 2HB GLU 3 -20.041 21.332 15.212 26 1HG GLU 3 1HG GLU 3 -18.815 21.116 13.166 27 2HG GLU 3 2HG GLU 3 -20.295 20.988 12.216 28 H ASP 4 H ASP 4 -23.356 19.194 14.670 29 HA ASP 4 HA ASP 4 -23.333 19.094 17.597 30 1HB ASP 4 1HB ASP 4 -25.321 18.909 15.354 31 2HB ASP 4 2HB ASP 4 -25.814 18.430 16.977 32 H GLN 5 H GLN 5 -22.322 16.890 15.406 33 HA GLN 5 HA GLN 5 -23.427 14.554 16.935 34 1HB GLN 5 1HB GLN 5 -22.569 14.992 14.069 35 2HB GLN 5 2HB GLN 5 -22.723 13.368 14.739 36 1HG GLN 5 1HG GLN 5 -25.065 13.809 15.323 37 2HG GLN 5 2HG GLN 5 -24.919 15.462 14.728 38 2HE2 GLN 5 2HE2 GLN 5 -23.887 12.272 13.372 39 1HE2 GLN 5 1HE2 GLN 5 -24.648 12.502 11.872 40 H GLU 6 H GLU 6 -20.583 16.156 15.658 41 HA GLU 6 HA GLU 6 -18.854 14.227 17.177 42 1HB GLU 6 1HB GLU 6 -18.388 15.664 14.542 43 2HB GLU 6 2HB GLU 6 -17.179 14.680 15.366 44 1HG GLU 6 1HG GLU 6 -18.539 12.698 15.143 45 2HG GLU 6 2HG GLU 6 -19.904 13.640 14.544 46 H MET 7 H MET 7 -20.121 16.933 17.818 47 HA MET 7 HA MET 7 -18.493 19.143 17.782 48 1HB MET 7 1HB MET 7 -19.451 19.607 20.053 49 2HB MET 7 2HB MET 7 -20.656 19.020 18.906 50 1HG MET 7 1HG MET 7 -20.079 16.665 19.832 51 2HG MET 7 2HG MET 7 -19.340 17.534 21.176 52 1HE MET 7 1HE MET 7 -20.829 16.133 22.586 53 2HE MET 7 2HE MET 7 -22.575 16.317 22.796 54 3HE MET 7 3HE MET 7 -21.940 15.452 21.401 55 H CYS 8 H CYS 8 -16.947 19.978 19.475 56 HA CYS 8 HA CYS 8 -15.398 17.861 20.889 57 1HB CYS 8 1HB CYS 8 -14.599 18.350 18.484 58 2HB CYS 8 2HB CYS 8 -14.090 19.921 19.104 59 H HIS 9 H HIS 9 -15.984 18.816 22.904 60 HA HIS 9 HA HIS 9 -15.563 21.701 23.344 61 1HB HIS 9 1HB HIS 9 -16.384 19.381 25.122 62 2HB HIS 9 2HB HIS 9 -16.392 21.071 25.625 63 HD1 HIS 9 HD1 HIS 9 -17.986 18.794 23.028 64 HD2 HIS 9 HD2 HIS 9 -18.668 22.479 24.853 65 HE1 HIS 9 HE1 HIS 9 -20.273 19.562 22.258 66 H GLU 10 H GLU 10 -13.746 18.782 23.631 67 HA GLU 10 HA GLU 10 -12.024 19.462 25.829 68 1HB GLU 10 1HB GLU 10 -11.779 17.699 23.380 69 2HB GLU 10 2HB GLU 10 -10.544 17.749 24.638 70 1HG GLU 10 1HG GLU 10 -12.209 17.089 26.321 71 2HG GLU 10 2HG GLU 10 -13.471 17.087 25.090 72 H PHE 11 H PHE 11 -11.947 20.240 22.373 73 HA PHE 11 HA PHE 11 -9.308 21.577 22.669 74 1HB PHE 11 1HB PHE 11 -11.132 20.759 20.422 75 2HB PHE 11 2HB PHE 11 -9.822 21.896 20.127 76 HD1 PHE 11 HD1 PHE 11 -10.598 18.467 21.361 77 HD2 PHE 11 HD2 PHE 11 -7.555 21.176 20.003 78 HE1 PHE 11 HE1 PHE 11 -8.987 16.590 21.225 79 HE2 PHE 11 HE2 PHE 11 -5.944 19.299 19.868 80 HZ PHE 11 HZ PHE 11 -6.660 17.007 20.479 81 H GLN 12 H GLN 12 -12.690 22.332 22.644 82 HA GLN 12 HA GLN 12 -12.887 24.857 21.496 83 1HB GLN 12 1HB GLN 12 -14.714 23.612 22.593 84 2HB GLN 12 2HB GLN 12 -13.976 23.910 24.168 85 1HG GLN 12 1HG GLN 12 -14.149 26.393 23.655 86 2HG GLN 12 2HG GLN 12 -15.129 25.958 22.255 87 2HE2 GLN 12 2HE2 GLN 12 -15.115 24.490 25.543 88 1HE2 GLN 12 1HE2 GLN 12 -16.752 24.811 25.857 89 H ALA 13 H ALA 13 -11.131 23.940 24.387 90 HA ALA 13 HA ALA 13 -10.793 26.627 25.439 91 1HB ALA 13 1HB ALA 13 -8.769 25.177 26.498 92 2HB ALA 13 2HB ALA 13 -10.434 25.029 27.059 93 3HB ALA 13 3HB ALA 13 -9.785 23.863 25.906 94 H PHE 14 H PHE 14 -9.237 24.724 22.962 95 HA PHE 14 HA PHE 14 -6.813 26.414 22.917 96 1HB PHE 14 1HB PHE 14 -7.767 24.207 21.066 97 2HB PHE 14 2HB PHE 14 -6.121 24.811 21.227 98 HD1 PHE 14 HD1 PHE 14 -6.043 25.129 24.234 99 HD2 PHE 14 HD2 PHE 14 -7.482 21.943 21.741 100 HE1 PHE 14 HE1 PHE 14 -5.626 23.507 26.065 101 HE2 PHE 14 HE2 PHE 14 -7.065 20.321 23.567 102 HZ PHE 14 HZ PHE 14 -6.137 21.103 25.732 103 H MET 15 H MET 15 -9.755 27.263 22.131 104 HA MET 15 HA MET 15 -9.251 28.084 19.322 105 1HB MET 15 1HB MET 15 -11.608 28.404 19.255 106 2HB MET 15 2HB MET 15 -11.377 26.960 20.230 107 1HG MET 15 1HG MET 15 -11.430 28.486 22.271 108 2HG MET 15 2HG MET 15 -11.976 29.765 21.188 109 1HE MET 15 1HE MET 15 -14.050 29.761 19.814 110 2HE MET 15 2HE MET 15 -13.678 28.214 19.059 111 3HE MET 15 3HE MET 15 -15.279 28.500 19.758 112 H LYS 16 H LYS 16 -8.303 30.061 19.045 113 HA LYS 16 HA LYS 16 -8.529 32.117 21.181 114 1HB LYS 16 1HB LYS 16 -6.340 31.385 20.155 115 2HB LYS 16 2HB LYS 16 -6.894 32.064 18.625 116 1HG LYS 16 1HG LYS 16 -7.357 34.091 20.500 117 2HG LYS 16 2HG LYS 16 -5.787 33.424 20.948 118 1HD LYS 16 1HD LYS 16 -5.148 33.598 18.488 119 2HD LYS 16 2HD LYS 16 -6.622 34.539 18.261 120 1HE LYS 16 1HE LYS 16 -5.849 36.290 19.681 121 2HE LYS 16 2HE LYS 16 -4.562 35.275 20.358 122 1HZ LYS 16 1HZ LYS 16 -3.773 35.058 17.967 123 2HZ LYS 16 2HZ LYS 16 -4.794 36.364 17.609 124 3HZ LYS 16 3HZ LYS 16 -3.516 36.564 18.711 125 H ASN 17 H ASN 17 -10.786 32.676 20.682 126 HA ASN 17 HA ASN 17 -12.413 34.033 19.647 127 1HB ASN 17 1HB ASN 17 -9.915 35.152 18.337 128 2HB ASN 17 2HB ASN 17 -11.472 35.971 18.452 129 2HD2 ASN 17 2HD2 ASN 17 -8.512 36.048 19.850 130 1HD2 ASN 17 1HD2 ASN 17 -8.932 36.470 21.439 131 H GLY 18 H GLY 18 -12.329 31.572 18.485 132 1HA GLY 18 1HA GLY 18 -12.908 32.216 15.659 133 2HA GLY 18 2HA GLY 18 -13.342 30.721 16.487 134 H LYS 19 H LYS 19 -10.101 31.752 16.984 135 HA LYS 19 HA LYS 19 -9.051 30.199 14.684 136 1HB LYS 19 1HB LYS 19 -8.252 32.494 15.664 137 2HB LYS 19 2HB LYS 19 -7.440 31.498 16.872 138 1HG LYS 19 1HG LYS 19 -7.131 31.012 13.903 139 2HG LYS 19 2HG LYS 19 -6.063 32.095 14.796 140 1HD LYS 19 1HD LYS 19 -5.594 30.187 16.381 141 2HD LYS 19 2HD LYS 19 -6.495 29.135 15.290 142 1HE LYS 19 1HE LYS 19 -3.960 29.170 14.931 143 2HE LYS 19 2HE LYS 19 -4.925 29.541 13.489 144 1HZ LYS 19 1HZ LYS 19 -4.199 31.716 15.331 145 2HZ LYS 19 2HZ LYS 19 -3.021 31.149 14.249 146 3HZ LYS 19 3HZ LYS 19 -4.486 31.775 13.658 147 H LEU 20 H LEU 20 -8.390 28.088 14.918 148 HA LEU 20 HA LEU 20 -8.209 26.995 17.699 149 1HB LEU 20 1HB LEU 20 -9.849 26.214 15.792 150 2HB LEU 20 2HB LEU 20 -8.428 25.362 15.186 151 HG LEU 20 HG LEU 20 -9.677 25.078 17.934 152 1HD1 LEU 20 1HD1 LEU 20 -10.287 23.839 15.517 153 2HD1 LEU 20 2HD1 LEU 20 -9.219 22.687 16.318 154 3HD1 LEU 20 3HD1 LEU 20 -10.693 23.230 17.121 155 1HD2 LEU 20 1HD2 LEU 20 -7.129 23.938 16.757 156 2HD2 LEU 20 2HD2 LEU 20 -7.284 24.947 18.196 157 3HD2 LEU 20 3HD2 LEU 20 -7.901 23.295 18.206 158 H PHE 21 H PHE 21 -6.068 26.973 18.322 159 HA PHE 21 HA PHE 21 -3.977 26.371 16.289 160 1HB PHE 21 1HB PHE 21 -2.495 26.973 18.330 161 2HB PHE 21 2HB PHE 21 -3.445 28.267 17.604 162 HD1 PHE 21 HD1 PHE 21 -3.218 25.927 20.470 163 HD2 PHE 21 HD2 PHE 21 -5.285 29.290 18.775 164 HE1 PHE 21 HE1 PHE 21 -4.334 26.337 22.645 165 HE2 PHE 21 HE2 PHE 21 -6.402 29.699 20.952 166 HZ PHE 21 HZ PHE 21 -5.925 28.223 22.886 167 H CYS 22 H CYS 22 -5.188 24.104 16.443 168 HA CYS 22 HA CYS 22 -4.937 22.335 18.596 169 1HB CYS 22 1HB CYS 22 -5.820 22.226 16.048 170 2HB CYS 22 2HB CYS 22 -4.324 21.309 15.873 171 HA PRO 23 HA PRO 23 -0.530 21.137 16.962 172 1HB PRO 23 1HB PRO 23 0.563 23.470 15.683 173 2HB PRO 23 2HB PRO 23 0.247 21.885 14.973 174 1HG PRO 23 1HG PRO 23 -1.158 24.317 14.476 175 2HG PRO 23 2HG PRO 23 -1.539 22.712 13.849 176 1HD PRO 23 1HD PRO 23 -2.938 24.243 15.891 177 2HD PRO 23 2HD PRO 23 -3.417 22.706 15.141 178 H GLN 24 H GLN 24 -0.664 21.639 19.386 179 HA GLN 24 HA GLN 24 1.072 23.990 20.059 180 1HB GLN 24 1HB GLN 24 -0.228 23.893 22.259 181 2HB GLN 24 2HB GLN 24 -1.166 24.381 20.849 182 1HG GLN 24 1HG GLN 24 -2.255 22.300 20.702 183 2HG GLN 24 2HG GLN 24 -1.023 21.482 21.660 184 2HE2 GLN 24 2HE2 GLN 24 -1.057 21.838 24.019 185 1HE2 GLN 24 1HE2 GLN 24 -2.447 22.438 24.785 186 H ASP 25 H ASP 25 0.349 22.086 22.748 187 HA ASP 25 HA ASP 25 3.049 20.868 22.685 188 1HB ASP 25 1HB ASP 25 2.358 22.129 24.650 189 2HB ASP 25 2HB ASP 25 0.881 21.174 24.786 190 H LYS 26 H LYS 26 2.031 19.391 20.875 191 HA LYS 26 HA LYS 26 0.103 17.378 21.587 192 1HB LYS 26 1HB LYS 26 2.196 17.765 19.454 193 2HB LYS 26 2HB LYS 26 1.252 16.277 19.522 194 1HG LYS 26 1HG LYS 26 -0.812 17.470 19.258 195 2HG LYS 26 2HG LYS 26 -0.019 19.025 19.519 196 1HD LYS 26 1HD LYS 26 0.368 19.187 17.309 197 2HD LYS 26 2HD LYS 26 1.333 17.713 17.376 198 1HE LYS 26 1HE LYS 26 -0.693 16.347 17.063 199 2HE LYS 26 2HE LYS 26 -1.690 17.814 17.048 200 1HZ LYS 26 1HZ LYS 26 0.647 17.513 15.256 201 2HZ LYS 26 2HZ LYS 26 -0.873 16.909 14.807 202 3HZ LYS 26 3HZ LYS 26 -0.675 18.570 15.103 203 H LYS 27 H LYS 27 3.241 17.803 22.727 204 HA LYS 27 HA LYS 27 4.574 15.392 22.729 205 1HB LYS 27 1HB LYS 27 4.000 17.397 24.918 206 2HB LYS 27 2HB LYS 27 5.123 16.062 25.159 207 1HG LYS 27 1HG LYS 27 6.470 16.811 23.255 208 2HG LYS 27 2HG LYS 27 5.317 18.104 22.925 209 1HD LYS 27 1HD LYS 27 5.774 19.038 25.196 210 2HD LYS 27 2HD LYS 27 7.001 17.793 25.429 211 1HE LYS 27 1HE LYS 27 8.062 19.881 24.652 212 2HE LYS 27 2HE LYS 27 8.184 18.647 23.383 213 1HZ LYS 27 1HZ LYS 27 5.857 20.469 23.553 214 2HZ LYS 27 2HZ LYS 27 7.267 20.930 22.724 215 3HZ LYS 27 3HZ LYS 27 6.392 19.563 22.223 216 H PHE 28 H PHE 28 1.495 16.081 24.275 217 HA PHE 28 HA PHE 28 1.215 14.110 26.210 218 1HB PHE 28 1HB PHE 28 -0.784 14.829 24.041 219 2HB PHE 28 2HB PHE 28 -1.163 14.220 25.651 220 HD1 PHE 28 HD1 PHE 28 0.446 15.676 27.489 221 HD2 PHE 28 HD2 PHE 28 -1.358 17.079 23.852 222 HE1 PHE 28 HE1 PHE 28 0.463 17.992 28.373 223 HE2 PHE 28 HE2 PHE 28 -1.343 19.396 24.735 224 HZ PHE 28 HZ PHE 28 -0.431 19.852 26.998 225 H PHE 29 H PHE 29 1.538 13.668 22.755 226 HA PHE 29 HA PHE 29 0.386 11.238 22.161 227 1HB PHE 29 1HB PHE 29 1.805 12.656 20.687 228 2HB PHE 29 2HB PHE 29 3.235 12.090 21.551 229 HD1 PHE 29 HD1 PHE 29 3.629 9.532 21.646 230 HD2 PHE 29 HD2 PHE 29 0.949 11.426 18.874 231 HE1 PHE 29 HE1 PHE 29 3.711 7.523 20.194 232 HE2 PHE 29 HE2 PHE 29 1.033 9.417 17.421 233 HZ PHE 29 HZ PHE 29 2.413 7.466 18.080 234 H GLN 30 H GLN 30 3.027 11.771 24.407 235 HA GLN 30 HA GLN 30 3.966 9.036 24.521 236 1HB GLN 30 1HB GLN 30 5.255 9.870 26.371 237 2HB GLN 30 2HB GLN 30 5.137 11.191 25.208 238 1HG GLN 30 1HG GLN 30 3.355 12.231 26.480 239 2HG GLN 30 2HG GLN 30 3.260 10.843 27.564 240 2HE2 GLN 30 2HE2 GLN 30 4.541 13.931 27.341 241 1HE2 GLN 30 1HE2 GLN 30 5.817 13.775 28.449 242 H SER 31 H SER 31 1.000 10.278 25.410 243 HA SER 31 HA SER 31 0.625 8.101 27.432 244 1HB SER 31 1HB SER 31 0.907 10.134 28.681 245 2HB SER 31 2HB SER 31 -0.136 11.029 27.577 246 HG SER 31 HG SER 31 -1.852 9.635 28.254 247 H LEU 32 H LEU 32 -1.650 7.406 27.596 248 HA LEU 32 HA LEU 32 -2.984 7.061 25.125 249 1HB LEU 32 1HB LEU 32 -3.178 6.044 27.605 250 2HB LEU 32 2HB LEU 32 -4.553 7.149 27.656 251 HG LEU 32 HG LEU 32 -4.134 5.240 25.352 252 1HD1 LEU 32 1HD1 LEU 32 -5.547 4.778 27.991 253 2HD1 LEU 32 2HD1 LEU 32 -5.869 3.816 26.549 254 3HD1 LEU 32 3HD1 LEU 32 -4.262 3.805 27.275 255 1HD2 LEU 32 1HD2 LEU 32 -5.692 7.155 25.070 256 2HD2 LEU 32 2HD2 LEU 32 -6.542 5.611 25.043 257 3HD2 LEU 32 3HD2 LEU 32 -6.587 6.617 26.490 258 H ASP 33 H ASP 33 -3.814 9.302 27.783 259 HA ASP 33 HA ASP 33 -5.993 10.615 26.568 260 1HB ASP 33 1HB ASP 33 -4.941 10.795 28.930 261 2HB ASP 33 2HB ASP 33 -3.862 11.993 28.215 262 H GLY 34 H GLY 34 -2.514 11.083 26.159 263 1HA GLY 34 1HA GLY 34 -1.317 12.429 24.641 264 2HA GLY 34 2HA GLY 34 -2.753 13.440 24.494 265 H ILE 35 H ILE 35 -2.107 10.005 23.784 266 HA ILE 35 HA ILE 35 -2.127 10.151 20.966 267 HB ILE 35 HB ILE 35 -2.876 8.097 23.037 268 1HG1 ILE 35 1HG1 ILE 35 -0.508 8.555 22.626 269 2HG1 ILE 35 2HG1 ILE 35 -0.911 6.949 22.020 270 1HG2 ILE 35 1HG2 ILE 35 -3.291 7.918 20.053 271 2HG2 ILE 35 2HG2 ILE 35 -2.951 6.477 21.012 272 3HG2 ILE 35 3HG2 ILE 35 -4.390 7.440 21.346 273 1HD1 ILE 35 1HD1 ILE 35 -1.441 8.774 19.912 274 2HD1 ILE 35 2HD1 ILE 35 0.139 9.203 20.569 275 3HD1 ILE 35 3HD1 ILE 35 -0.159 7.565 19.989 276 H MET 36 H MET 36 -4.778 10.198 23.290 277 HA MET 36 HA MET 36 -6.896 9.850 21.323 278 1HB MET 36 1HB MET 36 -6.618 10.650 24.201 279 2HB MET 36 2HB MET 36 -8.154 10.931 23.383 280 1HG MET 36 1HG MET 36 -6.750 8.252 23.318 281 2HG MET 36 2HG MET 36 -7.914 8.677 24.573 282 1HE MET 36 1HE MET 36 -7.639 6.458 22.665 283 2HE MET 36 2HE MET 36 -9.343 6.144 23.018 284 3HE MET 36 3HE MET 36 -8.802 6.308 21.350 285 H PHE 37 H PHE 37 -6.154 12.721 23.356 286 HA PHE 37 HA PHE 37 -7.612 14.621 21.946 287 1HB PHE 37 1HB PHE 37 -6.631 15.835 23.583 288 2HB PHE 37 2HB PHE 37 -5.520 14.505 23.895 289 HD1 PHE 37 HD1 PHE 37 -3.315 14.419 22.749 290 HD2 PHE 37 HD2 PHE 37 -5.943 17.785 22.356 291 HE1 PHE 37 HE1 PHE 37 -1.443 15.770 21.854 292 HE2 PHE 37 HE2 PHE 37 -4.072 19.141 21.456 293 HZ PHE 37 HZ PHE 37 -1.825 18.126 21.205 294 H ILE 38 H ILE 38 -4.225 13.637 21.251 295 HA ILE 38 HA ILE 38 -3.740 15.240 18.995 296 HB ILE 38 HB ILE 38 -2.959 12.394 19.692 297 1HG1 ILE 38 1HG1 ILE 38 -1.664 15.109 20.028 298 2HG1 ILE 38 2HG1 ILE 38 -2.112 13.964 21.291 299 1HG2 ILE 38 1HG2 ILE 38 -2.808 13.091 17.187 300 2HG2 ILE 38 2HG2 ILE 38 -1.498 14.145 17.719 301 3HG2 ILE 38 3HG2 ILE 38 -1.374 12.400 17.947 302 1HD1 ILE 38 1HD1 ILE 38 -0.457 12.447 19.690 303 2HD1 ILE 38 2HD1 ILE 38 0.294 14.040 19.604 304 3HD1 ILE 38 3HD1 ILE 38 0.043 13.268 21.169 305 H ASN 39 H ASN 39 -5.534 12.186 19.252 306 HA ASN 39 HA ASN 39 -5.959 11.847 16.409 307 1HB ASN 39 1HB ASN 39 -7.307 10.824 18.921 308 2HB ASN 39 2HB ASN 39 -7.773 10.287 17.308 309 2HD2 ASN 39 2HD2 ASN 39 -6.576 8.555 19.343 310 1HD2 ASN 39 1HD2 ASN 39 -5.081 8.027 18.732 311 H LYS 40 H LYS 40 -7.776 13.400 19.021 312 HA LYS 40 HA LYS 40 -10.027 14.113 17.265 313 1HB LYS 40 1HB LYS 40 -9.201 14.700 20.120 314 2HB LYS 40 2HB LYS 40 -10.664 15.377 19.407 315 1HG LYS 40 1HG LYS 40 -11.519 13.133 18.949 316 2HG LYS 40 2HG LYS 40 -10.026 12.416 19.555 317 1HD LYS 40 1HD LYS 40 -10.677 13.948 21.684 318 2HD LYS 40 2HD LYS 40 -12.293 13.624 21.054 319 1HE LYS 40 1HE LYS 40 -11.643 11.153 20.988 320 2HE LYS 40 2HE LYS 40 -10.205 11.602 21.926 321 1HZ LYS 40 1HZ LYS 40 -12.869 12.571 22.740 322 2HZ LYS 40 2HZ LYS 40 -12.388 11.002 23.168 323 3HZ LYS 40 3HZ LYS 40 -11.479 12.340 23.690 324 H CYS 41 H CYS 41 -6.966 15.409 18.165 325 HA CYS 41 HA CYS 41 -7.266 18.188 18.072 326 1HB CYS 41 1HB CYS 41 -5.178 16.993 18.521 327 2HB CYS 41 2HB CYS 41 -5.148 16.373 16.874 328 H ALA 42 H ALA 42 -6.223 16.301 15.230 329 HA ALA 42 HA ALA 42 -6.886 18.339 13.324 330 1HB ALA 42 1HB ALA 42 -5.442 16.059 13.344 331 2HB ALA 42 2HB ALA 42 -5.996 16.810 11.848 332 3HB ALA 42 3HB ALA 42 -6.897 15.463 12.545 333 H THR 43 H THR 43 -8.727 15.624 14.649 334 HA THR 43 HA THR 43 -10.896 15.709 12.747 335 HB THR 43 HB THR 43 -10.720 14.750 15.624 336 HG1 THR 43 HG1 THR 43 -10.655 13.122 13.349 337 1HG2 THR 43 1HG2 THR 43 -12.852 14.665 13.567 338 2HG2 THR 43 2HG2 THR 43 -12.547 13.151 14.419 339 3HG2 THR 43 3HG2 THR 43 -12.979 14.601 15.324 340 H CYS 44 H CYS 44 -10.307 17.287 15.877 341 HA CYS 44 HA CYS 44 -12.947 18.517 16.015 342 1HB CYS 44 1HB CYS 44 -10.304 18.984 17.433 343 2HB CYS 44 2HB CYS 44 -11.821 19.755 17.900 344 H LYS 45 H LYS 45 -9.786 19.395 14.735 345 HA LYS 45 HA LYS 45 -10.172 22.214 14.450 346 1HB LYS 45 1HB LYS 45 -8.005 21.155 14.231 347 2HB LYS 45 2HB LYS 45 -8.581 20.142 12.907 348 1HG LYS 45 1HG LYS 45 -9.165 22.585 11.895 349 2HG LYS 45 2HG LYS 45 -7.774 23.003 12.894 350 1HD LYS 45 1HD LYS 45 -6.491 21.155 11.805 351 2HD LYS 45 2HD LYS 45 -7.871 20.864 10.746 352 1HE LYS 45 1HE LYS 45 -7.689 23.131 9.828 353 2HE LYS 45 2HE LYS 45 -6.366 23.500 10.950 354 1HZ LYS 45 1HZ LYS 45 -6.166 21.062 9.338 355 2HZ LYS 45 2HZ LYS 45 -5.904 22.539 8.545 356 3HZ LYS 45 3HZ LYS 45 -4.938 22.107 9.873 357 H MET 46 H MET 46 -10.862 19.500 12.224 358 HA MET 46 HA MET 46 -11.822 21.094 10.048 359 1HB MET 46 1HB MET 46 -12.831 18.924 9.348 360 2HB MET 46 2HB MET 46 -11.162 18.734 9.880 361 1HG MET 46 1HG MET 46 -11.759 17.444 11.646 362 2HG MET 46 2HG MET 46 -13.108 18.500 12.065 363 1HE MET 46 1HE MET 46 -11.941 16.977 8.989 364 2HE MET 46 2HE MET 46 -12.229 15.297 9.463 365 3HE MET 46 3HE MET 46 -13.284 16.077 8.288 366 H ILE 47 H ILE 47 -13.293 20.070 13.051 367 HA ILE 47 HA ILE 47 -16.051 20.271 12.428 368 HB ILE 47 HB ILE 47 -14.589 21.114 14.953 369 1HG1 ILE 47 1HG1 ILE 47 -13.829 18.914 14.414 370 2HG1 ILE 47 2HG1 ILE 47 -15.103 18.699 15.612 371 1HG2 ILE 47 1HG2 ILE 47 -17.291 21.263 14.320 372 2HG2 ILE 47 2HG2 ILE 47 -17.158 19.735 15.190 373 3HG2 ILE 47 3HG2 ILE 47 -16.616 21.231 15.950 374 1HD1 ILE 47 1HD1 ILE 47 -15.484 18.492 12.609 375 2HD1 ILE 47 2HD1 ILE 47 -15.350 17.121 13.711 376 3HD1 ILE 47 3HD1 ILE 47 -16.724 18.218 13.833 377 H LEU 48 H LEU 48 -13.722 22.797 13.393 378 HA LEU 48 HA LEU 48 -15.639 24.960 13.408 379 1HB LEU 48 1HB LEU 48 -12.633 24.690 13.261 380 2HB LEU 48 2HB LEU 48 -13.412 26.272 13.234 381 HG LEU 48 HG LEU 48 -12.801 25.668 15.534 382 1HD1 LEU 48 1HD1 LEU 48 -15.200 26.650 14.715 383 2HD1 LEU 48 2HD1 LEU 48 -15.733 25.238 15.629 384 3HD1 LEU 48 3HD1 LEU 48 -14.751 26.476 16.412 385 1HD2 LEU 48 1HD2 LEU 48 -12.964 23.168 15.067 386 2HD2 LEU 48 2HD2 LEU 48 -13.639 23.697 16.609 387 3HD2 LEU 48 3HD2 LEU 48 -14.710 23.336 15.255 388 H GLU 49 H GLU 49 -13.384 23.668 10.971 389 HA GLU 49 HA GLU 49 -13.772 25.687 8.982 390 1HB GLU 49 1HB GLU 49 -13.116 22.730 8.800 391 2HB GLU 49 2HB GLU 49 -12.896 23.883 7.484 392 1HG GLU 49 1HG GLU 49 -11.628 24.223 10.214 393 2HG GLU 49 2HG GLU 49 -10.815 23.428 8.866 394 H LYS 50 H LYS 50 -15.680 22.881 9.903 395 HA LYS 50 HA LYS 50 -17.291 22.577 7.581 396 1HB LYS 50 1HB LYS 50 -17.670 22.124 10.542 397 2HB LYS 50 2HB LYS 50 -18.945 21.725 9.391 398 1HG LYS 50 1HG LYS 50 -17.159 20.398 8.114 399 2HG LYS 50 2HG LYS 50 -16.151 20.580 9.548 400 1HD LYS 50 1HD LYS 50 -18.082 19.610 10.887 401 2HD LYS 50 2HD LYS 50 -18.844 19.211 9.348 402 1HE LYS 50 1HE LYS 50 -16.978 17.780 8.727 403 2HE LYS 50 2HE LYS 50 -16.061 18.292 10.156 404 1HZ LYS 50 1HZ LYS 50 -18.791 17.197 10.425 405 2HZ LYS 50 2HZ LYS 50 -17.464 16.145 10.298 406 3HZ LYS 50 3HZ LYS 50 -17.549 17.251 11.581 407 H GLU 51 H GLU 51 -17.893 24.547 10.516 408 HA GLU 51 HA GLU 51 -20.330 25.734 9.523 409 1HB GLU 51 1HB GLU 51 -19.974 27.233 11.471 410 2HB GLU 51 2HB GLU 51 -19.700 25.545 11.901 411 1HG GLU 51 1HG GLU 51 -17.445 25.844 12.187 412 2HG GLU 51 2HG GLU 51 -17.337 27.048 10.901 413 H ALA 52 H ALA 52 -16.966 26.380 8.959 414 HA ALA 52 HA ALA 52 -17.125 29.177 8.301 415 1HB ALA 52 1HB ALA 52 -15.264 26.930 8.161 416 2HB ALA 52 2HB ALA 52 -15.091 28.014 6.782 417 3HB ALA 52 3HB ALA 52 -14.926 28.641 8.422 418 H LYS 53 H LYS 53 -18.179 26.326 6.649 419 HA LYS 53 HA LYS 53 -18.079 27.478 3.952 420 1HB LYS 53 1HB LYS 53 -19.244 24.998 5.238 421 2HB LYS 53 2HB LYS 53 -19.447 25.345 3.520 422 1HG LYS 53 1HG LYS 53 -17.012 25.422 3.226 423 2HG LYS 53 2HG LYS 53 -16.778 25.149 4.953 424 1HD LYS 53 1HD LYS 53 -18.112 22.992 4.657 425 2HD LYS 53 2HD LYS 53 -17.958 23.244 2.919 426 1HE LYS 53 1HE LYS 53 -15.481 23.282 3.156 427 2HE LYS 53 2HE LYS 53 -15.661 22.969 4.893 428 1HZ LYS 53 1HZ LYS 53 -17.003 21.273 2.872 429 2HZ LYS 53 2HZ LYS 53 -15.402 20.958 3.344 430 3HZ LYS 53 3HZ LYS 53 -16.649 20.909 4.493 431 H SER 54 H SER 54 -20.539 26.937 6.469 432 HA SER 54 HA SER 54 -22.817 27.737 4.912 433 1HB SER 54 1HB SER 54 -23.875 27.878 7.127 434 2HB SER 54 2HB SER 54 -22.832 26.458 7.050 435 HG SER 54 HG SER 54 -22.000 28.969 8.055 436 H GLN 55 H GLN 55 -20.227 29.539 6.320 437 HA GLN 55 HA GLN 55 -21.787 32.084 6.003 438 1HB GLN 55 1HB GLN 55 -20.931 31.390 8.289 439 2HB GLN 55 2HB GLN 55 -19.296 31.561 7.651 440 1HG GLN 55 1HG GLN 55 -19.821 33.925 7.048 441 2HG GLN 55 2HG GLN 55 -21.405 33.737 7.800 442 2HE2 GLN 55 2HE2 GLN 55 -18.111 34.511 8.422 443 1HE2 GLN 55 1HE2 GLN 55 -18.191 34.491 10.118 No H/Q in entry = 443 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -27.748 17.143 14.630 2 H2 LYS 1 H2 LYS 1 -26.439 16.189 14.116 3 H3 LYS 1 H3 LYS 1 -27.881 16.199 13.224 4 HA LYS 1 HA LYS 1 -29.059 15.029 14.904 5 1HB LYS 1 1HB LYS 1 -26.257 14.024 14.326 6 2HB LYS 1 2HB LYS 1 -27.516 13.012 15.033 7 1HG LYS 1 1HG LYS 1 -28.965 13.475 13.071 8 2HG LYS 1 2HG LYS 1 -27.669 14.434 12.357 9 1HD LYS 1 1HD LYS 1 -26.192 12.405 12.467 10 2HD LYS 1 2HD LYS 1 -27.587 11.474 13.013 11 1HE LYS 1 1HE LYS 1 -28.772 11.914 10.937 12 2HE LYS 1 2HE LYS 1 -27.504 13.037 10.405 13 1HZ LYS 1 1HZ LYS 1 -26.658 10.376 11.263 14 2HZ LYS 1 2HZ LYS 1 -27.474 10.461 9.779 15 3HZ LYS 1 3HZ LYS 1 -26.049 11.355 10.014 16 H ASN 2 H ASN 2 -25.928 16.261 15.967 17 HA ASN 2 HA ASN 2 -26.349 15.298 18.737 18 1HB ASN 2 1HB ASN 2 -24.183 16.890 17.328 19 2HB ASN 2 2HB ASN 2 -24.097 16.399 19.019 20 2HD2 ASN 2 2HD2 ASN 2 -23.314 15.411 15.863 21 1HD2 ASN 2 1HD2 ASN 2 -23.069 13.760 16.176 22 H GLU 3 H GLU 3 -27.476 16.548 20.173 23 HA GLU 3 HA GLU 3 -28.406 19.205 19.558 24 1HB GLU 3 1HB GLU 3 -29.453 17.461 21.062 25 2HB GLU 3 2HB GLU 3 -28.194 17.814 22.245 26 1HG GLU 3 1HG GLU 3 -28.909 20.199 22.251 27 2HG GLU 3 2HG GLU 3 -30.213 19.789 21.136 28 H ASP 4 H ASP 4 -25.374 18.099 20.608 29 HA ASP 4 HA ASP 4 -24.719 20.482 22.226 30 1HB ASP 4 1HB ASP 4 -23.961 17.938 22.391 31 2HB ASP 4 2HB ASP 4 -22.726 18.469 21.249 32 H GLN 5 H GLN 5 -24.202 19.238 18.970 33 HA GLN 5 HA GLN 5 -23.426 20.379 17.040 34 1HB GLN 5 1HB GLN 5 -24.533 22.281 18.691 35 2HB GLN 5 2HB GLN 5 -22.893 22.894 18.488 36 1HG GLN 5 1HG GLN 5 -23.126 22.791 16.052 37 2HG GLN 5 2HG GLN 5 -24.736 22.090 16.216 38 2HE2 GLN 5 2HE2 GLN 5 -22.851 25.065 16.849 39 1HE2 GLN 5 1HE2 GLN 5 -24.198 26.097 16.914 40 H GLU 6 H GLU 6 -21.667 22.072 19.631 41 HA GLU 6 HA GLU 6 -19.104 21.773 18.334 42 1HB GLU 6 1HB GLU 6 -19.828 22.391 21.219 43 2HB GLU 6 2HB GLU 6 -18.299 22.776 20.428 44 1HG GLU 6 1HG GLU 6 -20.994 23.812 19.501 45 2HG GLU 6 2HG GLU 6 -19.894 24.719 20.539 46 H MET 7 H MET 7 -19.852 19.233 18.215 47 HA MET 7 HA MET 7 -19.697 17.400 20.258 48 1HB MET 7 1HB MET 7 -18.431 17.430 17.509 49 2HB MET 7 2HB MET 7 -18.459 15.982 18.515 50 1HG MET 7 1HG MET 7 -20.912 16.086 18.626 51 2HG MET 7 2HG MET 7 -20.904 17.563 17.664 52 1HE MET 7 1HE MET 7 -19.481 14.240 18.064 53 2HE MET 7 2HE MET 7 -20.816 13.460 17.219 54 3HE MET 7 3HE MET 7 -19.217 13.544 16.467 55 H CYS 8 H CYS 8 -17.056 19.380 19.035 56 HA CYS 8 HA CYS 8 -15.072 17.923 20.703 57 1HB CYS 8 1HB CYS 8 -14.455 18.445 18.427 58 2HB CYS 8 2HB CYS 8 -14.942 20.128 18.627 59 H HIS 9 H HIS 9 -14.781 18.639 22.777 60 HA HIS 9 HA HIS 9 -15.216 21.557 23.337 61 1HB HIS 9 1HB HIS 9 -15.686 19.110 25.074 62 2HB HIS 9 2HB HIS 9 -15.968 20.778 25.573 63 HD1 HIS 9 HD1 HIS 9 -17.635 17.961 24.015 64 HD2 HIS 9 HD2 HIS 9 -17.975 22.109 23.762 65 HE1 HIS 9 HE1 HIS 9 -19.892 18.433 22.967 66 H GLU 10 H GLU 10 -13.120 18.788 23.649 67 HA GLU 10 HA GLU 10 -11.429 19.720 25.777 68 1HB GLU 10 1HB GLU 10 -11.501 17.408 24.958 69 2HB GLU 10 2HB GLU 10 -10.914 17.931 23.378 70 1HG GLU 10 1HG GLU 10 -8.803 18.656 24.352 71 2HG GLU 10 2HG GLU 10 -9.393 18.300 25.976 72 H PHE 11 H PHE 11 -11.219 20.075 22.223 73 HA PHE 11 HA PHE 11 -8.792 21.721 22.407 74 1HB PHE 11 1HB PHE 11 -10.677 20.808 20.241 75 2HB PHE 11 2HB PHE 11 -9.378 21.942 19.898 76 HD1 PHE 11 HD1 PHE 11 -10.181 18.494 20.957 77 HD2 PHE 11 HD2 PHE 11 -7.051 21.260 19.959 78 HE1 PHE 11 HE1 PHE 11 -8.571 16.617 20.802 79 HE2 PHE 11 HE2 PHE 11 -5.441 19.382 19.804 80 HZ PHE 11 HZ PHE 11 -6.202 17.064 20.227 81 H GLN 12 H GLN 12 -12.229 22.242 22.453 82 HA GLN 12 HA GLN 12 -12.606 24.748 21.305 83 1HB GLN 12 1HB GLN 12 -14.332 23.383 22.433 84 2HB GLN 12 2HB GLN 12 -13.597 23.741 23.995 85 1HG GLN 12 1HG GLN 12 -13.979 26.177 23.563 86 2HG GLN 12 2HG GLN 12 -14.822 25.747 22.075 87 2HE2 GLN 12 2HE2 GLN 12 -16.670 26.919 23.341 88 1HE2 GLN 12 1HE2 GLN 12 -17.622 25.955 24.363 89 H ALA 13 H ALA 13 -11.117 24.005 24.449 90 HA ALA 13 HA ALA 13 -10.786 26.691 25.370 91 1HB ALA 13 1HB ALA 13 -9.004 25.591 26.775 92 2HB ALA 13 2HB ALA 13 -9.215 24.131 25.808 93 3HB ALA 13 3HB ALA 13 -10.546 24.734 26.796 94 H PHE 14 H PHE 14 -9.155 24.864 22.897 95 HA PHE 14 HA PHE 14 -6.791 26.646 22.887 96 1HB PHE 14 1HB PHE 14 -7.599 24.394 21.026 97 2HB PHE 14 2HB PHE 14 -5.984 25.056 21.250 98 HD1 PHE 14 HD1 PHE 14 -6.581 25.373 24.392 99 HD2 PHE 14 HD2 PHE 14 -6.708 22.131 21.577 100 HE1 PHE 14 HE1 PHE 14 -6.175 23.759 26.232 101 HE2 PHE 14 HE2 PHE 14 -6.302 20.518 23.414 102 HZ PHE 14 HZ PHE 14 -6.034 21.331 25.742 103 H MET 15 H MET 15 -9.759 27.354 22.024 104 HA MET 15 HA MET 15 -9.222 28.151 19.213 105 1HB MET 15 1HB MET 15 -11.592 28.360 19.088 106 2HB MET 15 2HB MET 15 -11.311 26.938 20.083 107 1HG MET 15 1HG MET 15 -11.466 28.520 22.101 108 2HG MET 15 2HG MET 15 -12.118 29.710 20.976 109 1HE MET 15 1HE MET 15 -13.635 29.264 19.339 110 2HE MET 15 2HE MET 15 -14.387 27.702 19.025 111 3HE MET 15 3HE MET 15 -15.276 28.936 19.913 112 H LYS 16 H LYS 16 -8.303 30.141 18.964 113 HA LYS 16 HA LYS 16 -8.724 32.247 21.018 114 1HB LYS 16 1HB LYS 16 -6.470 31.510 20.015 115 2HB LYS 16 2HB LYS 16 -6.990 32.316 18.536 116 1HG LYS 16 1HG LYS 16 -7.503 34.104 20.689 117 2HG LYS 16 2HG LYS 16 -5.867 33.485 20.909 118 1HD LYS 16 1HD LYS 16 -5.453 34.014 18.460 119 2HD LYS 16 2HD LYS 16 -7.004 34.857 18.459 120 1HE LYS 16 1HE LYS 16 -6.148 36.644 19.592 121 2HE LYS 16 2HE LYS 16 -5.236 35.607 20.705 122 1HZ LYS 16 1HZ LYS 16 -3.797 35.077 18.700 123 2HZ LYS 16 2HZ LYS 16 -4.525 36.409 17.938 124 3HZ LYS 16 3HZ LYS 16 -3.618 36.630 19.357 125 H ASN 17 H ASN 17 -10.953 32.763 20.423 126 HA ASN 17 HA ASN 17 -12.577 34.010 19.253 127 1HB ASN 17 1HB ASN 17 -10.063 35.126 17.971 128 2HB ASN 17 2HB ASN 17 -11.643 35.907 17.993 129 2HD2 ASN 17 2HD2 ASN 17 -8.775 36.288 19.419 130 1HD2 ASN 17 1HD2 ASN 17 -9.241 36.721 20.992 131 H GLY 18 H GLY 18 -12.311 31.479 18.249 132 1HA GLY 18 1HA GLY 18 -12.884 31.911 15.390 133 2HA GLY 18 2HA GLY 18 -13.178 30.424 16.290 134 H LYS 19 H LYS 19 -10.064 31.673 16.865 135 HA LYS 19 HA LYS 19 -8.830 30.193 14.602 136 1HB LYS 19 1HB LYS 19 -8.244 32.567 15.498 137 2HB LYS 19 2HB LYS 19 -7.417 31.706 16.796 138 1HG LYS 19 1HG LYS 19 -6.884 31.456 13.820 139 2HG LYS 19 2HG LYS 19 -5.810 32.159 15.031 140 1HD LYS 19 1HD LYS 19 -5.875 29.874 16.192 141 2HD LYS 19 2HD LYS 19 -6.618 29.260 14.716 142 1HE LYS 19 1HE LYS 19 -4.194 30.901 14.269 143 2HE LYS 19 2HE LYS 19 -3.912 29.365 15.111 144 1HZ LYS 19 1HZ LYS 19 -5.590 28.489 13.337 145 2HZ LYS 19 2HZ LYS 19 -5.085 29.850 12.454 146 3HZ LYS 19 3HZ LYS 19 -3.955 28.674 12.928 147 H LEU 20 H LEU 20 -8.599 28.015 15.008 148 HA LEU 20 HA LEU 20 -8.105 27.066 17.776 149 1HB LEU 20 1HB LEU 20 -9.716 26.140 15.904 150 2HB LEU 20 2HB LEU 20 -8.255 25.352 15.309 151 HG LEU 20 HG LEU 20 -9.429 25.087 18.093 152 1HD1 LEU 20 1HD1 LEU 20 -10.395 23.853 15.971 153 2HD1 LEU 20 2HD1 LEU 20 -8.961 22.842 16.155 154 3HD1 LEU 20 3HD1 LEU 20 -10.135 22.955 17.466 155 1HD2 LEU 20 1HD2 LEU 20 -6.848 24.143 16.851 156 2HD2 LEU 20 2HD2 LEU 20 -7.092 24.950 18.399 157 3HD2 LEU 20 3HD2 LEU 20 -7.582 23.268 18.194 158 H PHE 21 H PHE 21 -5.971 27.034 18.408 159 HA PHE 21 HA PHE 21 -3.873 26.589 16.333 160 1HB PHE 21 1HB PHE 21 -2.402 27.219 18.394 161 2HB PHE 21 2HB PHE 21 -3.371 28.481 17.637 162 HD1 PHE 21 HD1 PHE 21 -3.118 26.194 20.536 163 HD2 PHE 21 HD2 PHE 21 -5.263 29.465 18.760 164 HE1 PHE 21 HE1 PHE 21 -4.272 26.609 22.692 165 HE2 PHE 21 HE2 PHE 21 -6.416 29.879 20.916 166 HZ PHE 21 HZ PHE 21 -5.919 28.453 22.882 167 H CYS 22 H CYS 22 -4.800 24.265 16.358 168 HA CYS 22 HA CYS 22 -4.600 22.419 18.431 169 1HB CYS 22 1HB CYS 22 -5.010 22.428 15.699 170 2HB CYS 22 2HB CYS 22 -3.537 21.472 15.863 171 HA PRO 23 HA PRO 23 0.062 21.683 17.265 172 1HB PRO 23 1HB PRO 23 1.052 24.172 16.215 173 2HB PRO 23 2HB PRO 23 0.985 22.601 15.415 174 1HG PRO 23 1HG PRO 23 -0.614 24.910 14.868 175 2HG PRO 23 2HG PRO 23 -0.718 23.321 14.106 176 1HD PRO 23 1HD PRO 23 -2.556 24.534 15.982 177 2HD PRO 23 2HD PRO 23 -2.709 22.966 15.158 178 H GLN 24 H GLN 24 -0.285 21.957 19.628 179 HA GLN 24 HA GLN 24 1.033 24.441 20.677 180 1HB GLN 24 1HB GLN 24 -1.278 24.578 21.230 181 2HB GLN 24 2HB GLN 24 -1.368 22.858 21.605 182 1HG GLN 24 1HG GLN 24 0.257 23.290 23.502 183 2HG GLN 24 2HG GLN 24 0.051 25.014 23.192 184 2HE2 GLN 24 2HE2 GLN 24 -1.781 22.056 24.067 185 1HE2 GLN 24 1HE2 GLN 24 -3.045 22.879 24.845 186 H ASP 25 H ASP 25 -0.041 21.457 22.270 187 HA ASP 25 HA ASP 25 2.818 20.738 22.791 188 1HB ASP 25 1HB ASP 25 1.546 22.075 24.624 189 2HB ASP 25 2HB ASP 25 0.650 20.578 24.886 190 H LYS 26 H LYS 26 2.182 19.137 21.024 191 HA LYS 26 HA LYS 26 0.158 17.139 21.484 192 1HB LYS 26 1HB LYS 26 2.526 17.552 19.691 193 2HB LYS 26 2HB LYS 26 1.759 15.965 19.725 194 1HG LYS 26 1HG LYS 26 -0.366 16.891 19.077 195 2HG LYS 26 2HG LYS 26 0.216 18.539 19.308 196 1HD LYS 26 1HD LYS 26 0.531 18.407 17.035 197 2HD LYS 26 2HD LYS 26 2.057 17.678 17.535 198 1HE LYS 26 1HE LYS 26 1.121 15.435 17.285 199 2HE LYS 26 2HE LYS 26 -0.478 16.113 16.920 200 1HZ LYS 26 1HZ LYS 26 1.988 16.767 15.391 201 2HZ LYS 26 2HZ LYS 26 0.891 15.564 14.915 202 3HZ LYS 26 3HZ LYS 26 0.390 17.185 14.993 203 H LYS 27 H LYS 27 3.029 17.658 23.147 204 HA LYS 27 HA LYS 27 4.391 15.293 23.493 205 1HB LYS 27 1HB LYS 27 3.386 17.408 25.384 206 2HB LYS 27 2HB LYS 27 4.324 16.052 26.006 207 1HG LYS 27 1HG LYS 27 6.108 16.586 24.329 208 2HG LYS 27 2HG LYS 27 5.187 18.016 23.863 209 1HD LYS 27 1HD LYS 27 5.298 18.814 26.224 210 2HD LYS 27 2HD LYS 27 6.308 17.423 26.619 211 1HE LYS 27 1HE LYS 27 8.126 18.226 25.367 212 2HE LYS 27 2HE LYS 27 7.096 19.259 24.358 213 1HZ LYS 27 1HZ LYS 27 6.504 20.232 26.735 214 2HZ LYS 27 2HZ LYS 27 8.078 19.696 27.080 215 3HZ LYS 27 3HZ LYS 27 7.821 20.817 25.835 216 H PHE 28 H PHE 28 1.072 15.952 24.438 217 HA PHE 28 HA PHE 28 0.492 13.963 26.311 218 1HB PHE 28 1HB PHE 28 -1.158 14.731 23.884 219 2HB PHE 28 2HB PHE 28 -1.766 14.145 25.428 220 HD1 PHE 28 HD1 PHE 28 -0.402 15.564 27.468 221 HD2 PHE 28 HD2 PHE 28 -1.637 16.999 23.611 222 HE1 PHE 28 HE1 PHE 28 -0.452 17.883 28.345 223 HE2 PHE 28 HE2 PHE 28 -1.688 19.317 24.490 224 HZ PHE 28 HZ PHE 28 -1.095 19.760 26.857 225 H PHE 29 H PHE 29 1.400 13.557 22.971 226 HA PHE 29 HA PHE 29 0.287 11.069 22.281 227 1HB PHE 29 1HB PHE 29 1.624 12.546 20.822 228 2HB PHE 29 2HB PHE 29 3.066 12.181 21.767 229 HD1 PHE 29 HD1 PHE 29 3.683 9.645 22.005 230 HD2 PHE 29 HD2 PHE 29 1.088 11.222 18.966 231 HE1 PHE 29 HE1 PHE 29 4.077 7.626 20.620 232 HE2 PHE 29 HE2 PHE 29 1.483 9.204 17.582 233 HZ PHE 29 HZ PHE 29 2.977 7.405 18.408 234 H GLN 30 H GLN 30 2.623 11.778 24.742 235 HA GLN 30 HA GLN 30 3.974 9.238 24.853 236 1HB GLN 30 1HB GLN 30 3.446 11.459 26.844 237 2HB GLN 30 2HB GLN 30 4.521 10.101 27.178 238 1HG GLN 30 1HG GLN 30 5.567 10.798 24.836 239 2HG GLN 30 2HG GLN 30 4.860 12.362 25.243 240 2HE2 GLN 30 2HE2 GLN 30 6.343 13.668 26.308 241 1HE2 GLN 30 1HE2 GLN 30 7.528 13.123 27.393 242 H SER 31 H SER 31 0.737 9.967 25.469 243 HA SER 31 HA SER 31 0.446 7.452 27.051 244 1HB SER 31 1HB SER 31 -0.767 10.142 27.763 245 2HB SER 31 2HB SER 31 -0.986 8.639 28.659 246 HG SER 31 HG SER 31 1.107 10.392 28.656 247 H LEU 32 H LEU 32 -1.807 6.638 27.000 248 HA LEU 32 HA LEU 32 -3.034 6.767 24.431 249 1HB LEU 32 1HB LEU 32 -3.183 5.151 26.567 250 2HB LEU 32 2HB LEU 32 -4.633 6.111 26.861 251 HG LEU 32 HG LEU 32 -4.067 4.865 24.167 252 1HD1 LEU 32 1HD1 LEU 32 -5.383 3.678 26.613 253 2HD1 LEU 32 2HD1 LEU 32 -5.795 3.132 24.987 254 3HD1 LEU 32 3HD1 LEU 32 -4.143 2.963 25.581 255 1HD2 LEU 32 1HD2 LEU 32 -6.547 5.908 25.567 256 2HD2 LEU 32 2HD2 LEU 32 -5.738 6.628 24.175 257 3HD2 LEU 32 3HD2 LEU 32 -6.565 5.079 24.010 258 H ASP 33 H ASP 33 -4.303 8.048 27.519 259 HA ASP 33 HA ASP 33 -6.453 9.543 26.501 260 1HB ASP 33 1HB ASP 33 -5.739 9.093 28.915 261 2HB ASP 33 2HB ASP 33 -4.576 10.406 28.726 262 H GLY 34 H GLY 34 -3.012 10.344 26.705 263 1HA GLY 34 1HA GLY 34 -1.812 12.165 25.816 264 2HA GLY 34 2HA GLY 34 -3.338 13.043 25.693 265 H ILE 35 H ILE 35 -2.571 9.880 24.310 266 HA ILE 35 HA ILE 35 -1.995 10.700 21.647 267 HB ILE 35 HB ILE 35 -2.966 8.246 23.065 268 1HG1 ILE 35 1HG1 ILE 35 -0.541 8.989 22.839 269 2HG1 ILE 35 2HG1 ILE 35 -0.881 7.347 22.292 270 1HG2 ILE 35 1HG2 ILE 35 -3.128 8.723 20.094 271 2HG2 ILE 35 2HG2 ILE 35 -2.789 7.109 20.719 272 3HG2 ILE 35 3HG2 ILE 35 -4.292 7.923 21.150 273 1HD1 ILE 35 1HD1 ILE 35 -1.162 9.517 20.271 274 2HD1 ILE 35 2HD1 ILE 35 0.479 9.115 20.782 275 3HD1 ILE 35 3HD1 ILE 35 -0.555 7.872 20.078 276 H MET 36 H MET 36 -5.068 10.090 23.311 277 HA MET 36 HA MET 36 -6.851 10.080 21.128 278 1HB MET 36 1HB MET 36 -6.992 11.116 23.962 279 2HB MET 36 2HB MET 36 -8.397 11.145 22.898 280 1HG MET 36 1HG MET 36 -6.780 8.679 23.614 281 2HG MET 36 2HG MET 36 -8.367 9.087 24.266 282 1HE MET 36 1HE MET 36 -6.656 6.879 22.153 283 2HE MET 36 2HE MET 36 -7.318 6.911 20.512 284 3HE MET 36 3HE MET 36 -6.290 8.225 21.077 285 H PHE 37 H PHE 37 -5.896 12.954 23.071 286 HA PHE 37 HA PHE 37 -7.201 14.955 21.679 287 1HB PHE 37 1HB PHE 37 -5.998 16.055 23.240 288 2HB PHE 37 2HB PHE 37 -4.954 14.652 23.450 289 HD1 PHE 37 HD1 PHE 37 -2.873 14.427 22.100 290 HD2 PHE 37 HD2 PHE 37 -5.303 17.957 21.944 291 HE1 PHE 37 HE1 PHE 37 -1.010 15.657 21.040 292 HE2 PHE 37 HE2 PHE 37 -3.438 19.191 20.876 293 HZ PHE 37 HZ PHE 37 -1.294 18.032 20.424 294 H ILE 38 H ILE 38 -3.950 13.678 20.778 295 HA ILE 38 HA ILE 38 -3.541 15.164 18.436 296 HB ILE 38 HB ILE 38 -2.896 12.300 19.185 297 1HG1 ILE 38 1HG1 ILE 38 -1.418 14.939 19.281 298 2HG1 ILE 38 2HG1 ILE 38 -1.801 13.863 20.625 299 1HG2 ILE 38 1HG2 ILE 38 -2.928 12.762 16.669 300 2HG2 ILE 38 2HG2 ILE 38 -1.611 13.899 16.960 301 3HG2 ILE 38 3HG2 ILE 38 -1.396 12.187 17.327 302 1HD1 ILE 38 1HD1 ILE 38 -0.001 13.071 18.319 303 2HD1 ILE 38 2HD1 ILE 38 0.598 13.743 19.835 304 3HD1 ILE 38 3HD1 ILE 38 -0.251 12.197 19.830 305 H ASN 39 H ASN 39 -5.529 12.269 18.926 306 HA ASN 39 HA ASN 39 -6.171 11.856 16.136 307 1HB ASN 39 1HB ASN 39 -7.760 11.105 18.607 308 2HB ASN 39 2HB ASN 39 -7.757 10.276 17.050 309 2HD2 ASN 39 2HD2 ASN 39 -4.708 10.768 16.908 310 1HD2 ASN 39 1HD2 ASN 39 -4.056 9.571 17.919 311 H LYS 40 H LYS 40 -7.558 13.804 18.727 312 HA LYS 40 HA LYS 40 -9.863 14.592 17.022 313 1HB LYS 40 1HB LYS 40 -9.020 15.008 19.896 314 2HB LYS 40 2HB LYS 40 -10.407 15.849 19.206 315 1HG LYS 40 1HG LYS 40 -11.536 13.785 18.741 316 2HG LYS 40 2HG LYS 40 -10.087 12.841 19.087 317 1HD LYS 40 1HD LYS 40 -10.253 14.011 21.446 318 2HD LYS 40 2HD LYS 40 -11.942 14.231 20.993 319 1HE LYS 40 1HE LYS 40 -11.976 11.722 20.450 320 2HE LYS 40 2HE LYS 40 -10.421 11.629 21.299 321 1HZ LYS 40 1HZ LYS 40 -11.635 13.006 23.085 322 2HZ LYS 40 2HZ LYS 40 -13.060 12.452 22.343 323 3HZ LYS 40 3HZ LYS 40 -11.961 11.340 22.999 324 H CYS 41 H CYS 41 -6.712 15.661 17.875 325 HA CYS 41 HA CYS 41 -6.899 18.472 17.875 326 1HB CYS 41 1HB CYS 41 -4.854 17.282 18.362 327 2HB CYS 41 2HB CYS 41 -4.845 16.538 16.765 328 H ALA 42 H ALA 42 -5.775 16.665 15.018 329 HA ALA 42 HA ALA 42 -6.371 18.741 13.149 330 1HB ALA 42 1HB ALA 42 -6.032 15.738 12.898 331 2HB ALA 42 2HB ALA 42 -6.096 16.826 11.512 332 3HB ALA 42 3HB ALA 42 -4.788 16.969 12.686 333 H THR 43 H THR 43 -8.294 16.017 14.342 334 HA THR 43 HA THR 43 -10.430 16.211 12.420 335 HB THR 43 HB THR 43 -10.459 15.244 15.298 336 HG1 THR 43 HG1 THR 43 -9.808 13.874 12.902 337 1HG2 THR 43 1HG2 THR 43 -12.581 15.511 13.660 338 2HG2 THR 43 2HG2 THR 43 -12.006 13.932 13.127 339 3HG2 THR 43 3HG2 THR 43 -12.435 14.190 14.818 340 H CYS 44 H CYS 44 -10.330 17.270 15.849 341 HA CYS 44 HA CYS 44 -12.740 18.712 15.912 342 1HB CYS 44 1HB CYS 44 -11.326 18.197 17.854 343 2HB CYS 44 2HB CYS 44 -10.072 19.278 17.245 344 H LYS 45 H LYS 45 -9.652 19.585 14.473 345 HA LYS 45 HA LYS 45 -10.076 22.409 14.210 346 1HB LYS 45 1HB LYS 45 -7.908 21.329 13.925 347 2HB LYS 45 2HB LYS 45 -8.522 20.383 12.569 348 1HG LYS 45 1HG LYS 45 -9.132 22.817 11.643 349 2HG LYS 45 2HG LYS 45 -7.788 23.275 12.688 350 1HD LYS 45 1HD LYS 45 -6.420 21.466 11.574 351 2HD LYS 45 2HD LYS 45 -7.746 21.257 10.428 352 1HE LYS 45 1HE LYS 45 -7.524 23.577 9.683 353 2HE LYS 45 2HE LYS 45 -6.281 23.879 10.911 354 1HZ LYS 45 1HZ LYS 45 -6.046 21.661 8.962 355 2HZ LYS 45 2HZ LYS 45 -5.486 23.221 8.591 356 3HZ LYS 45 3HZ LYS 45 -4.824 22.367 9.902 357 H MET 46 H MET 46 -10.685 19.717 11.914 358 HA MET 46 HA MET 46 -11.834 21.341 9.853 359 1HB MET 46 1HB MET 46 -12.587 19.184 8.984 360 2HB MET 46 2HB MET 46 -10.968 19.004 9.651 361 1HG MET 46 1HG MET 46 -11.679 17.536 11.212 362 2HG MET 46 2HG MET 46 -13.033 18.567 11.665 363 1HE MET 46 1HE MET 46 -11.552 15.999 9.387 364 2HE MET 46 2HE MET 46 -12.855 15.427 8.338 365 3HE MET 46 3HE MET 46 -12.146 17.019 8.079 366 H ILE 47 H ILE 47 -13.108 20.107 12.852 367 HA ILE 47 HA ILE 47 -15.896 20.083 12.331 368 HB ILE 47 HB ILE 47 -14.361 20.940 14.811 369 1HG1 ILE 47 1HG1 ILE 47 -13.709 18.710 13.931 370 2HG1 ILE 47 2HG1 ILE 47 -14.554 18.585 15.473 371 1HG2 ILE 47 1HG2 ILE 47 -16.765 21.522 14.883 372 2HG2 ILE 47 2HG2 ILE 47 -17.177 19.853 14.489 373 3HG2 ILE 47 3HG2 ILE 47 -16.387 20.230 16.021 374 1HD1 ILE 47 1HD1 ILE 47 -16.458 18.566 13.299 375 2HD1 ILE 47 2HD1 ILE 47 -15.240 17.315 13.047 376 3HD1 ILE 47 3HD1 ILE 47 -16.182 17.343 14.539 377 H LEU 48 H LEU 48 -13.726 22.764 13.202 378 HA LEU 48 HA LEU 48 -15.825 24.763 13.361 379 1HB LEU 48 1HB LEU 48 -12.809 24.766 13.120 380 2HB LEU 48 2HB LEU 48 -13.734 26.265 13.204 381 HG LEU 48 HG LEU 48 -13.001 25.639 15.449 382 1HD1 LEU 48 1HD1 LEU 48 -15.512 26.369 14.779 383 2HD1 LEU 48 2HD1 LEU 48 -15.861 24.830 15.564 384 3HD1 LEU 48 3HD1 LEU 48 -15.015 26.100 16.449 385 1HD2 LEU 48 1HD2 LEU 48 -12.881 23.152 14.835 386 2HD2 LEU 48 2HD2 LEU 48 -13.497 23.529 16.444 387 3HD2 LEU 48 3HD2 LEU 48 -14.616 23.100 15.149 388 H GLU 49 H GLU 49 -13.520 23.726 10.849 389 HA GLU 49 HA GLU 49 -14.157 25.747 8.916 390 1HB GLU 49 1HB GLU 49 -13.158 22.889 8.678 391 2HB GLU 49 2HB GLU 49 -13.120 24.064 7.363 392 1HG GLU 49 1HG GLU 49 -11.766 25.577 8.851 393 2HG GLU 49 2HG GLU 49 -11.688 24.266 10.028 394 H LYS 50 H LYS 50 -15.807 22.847 9.930 395 HA LYS 50 HA LYS 50 -17.439 22.516 7.542 396 1HB LYS 50 1HB LYS 50 -17.532 21.530 10.404 397 2HB LYS 50 2HB LYS 50 -18.726 21.042 9.200 398 1HG LYS 50 1HG LYS 50 -15.756 20.762 8.711 399 2HG LYS 50 2HG LYS 50 -16.696 19.494 9.497 400 1HD LYS 50 1HD LYS 50 -18.259 19.541 7.514 401 2HD LYS 50 2HD LYS 50 -17.123 20.634 6.722 402 1HE LYS 50 1HE LYS 50 -15.327 18.874 7.077 403 2HE LYS 50 2HE LYS 50 -16.615 17.773 7.604 404 1HZ LYS 50 1HZ LYS 50 -17.797 18.422 5.496 405 2HZ LYS 50 2HZ LYS 50 -16.355 19.156 4.987 406 3HZ LYS 50 3HZ LYS 50 -16.399 17.482 5.274 407 H GLU 51 H GLU 51 -17.907 24.038 10.735 408 HA GLU 51 HA GLU 51 -20.653 24.724 10.478 409 1HB GLU 51 1HB GLU 51 -18.357 26.162 11.852 410 2HB GLU 51 2HB GLU 51 -20.067 26.403 12.212 411 1HG GLU 51 1HG GLU 51 -20.293 24.090 12.928 412 2HG GLU 51 2HG GLU 51 -18.639 23.735 12.427 413 H ALA 52 H ALA 52 -17.779 26.155 9.063 414 HA ALA 52 HA ALA 52 -19.072 28.665 8.297 415 1HB ALA 52 1HB ALA 52 -16.488 27.625 8.539 416 2HB ALA 52 2HB ALA 52 -16.696 27.862 6.804 417 3HB ALA 52 3HB ALA 52 -16.909 29.218 7.911 418 H LYS 53 H LYS 53 -20.292 28.970 6.466 419 HA LYS 53 HA LYS 53 -21.331 28.511 4.393 420 1HB LYS 53 1HB LYS 53 -18.704 27.035 4.024 421 2HB LYS 53 2HB LYS 53 -19.783 27.545 2.726 422 1HG LYS 53 1HG LYS 53 -19.509 29.910 3.485 423 2HG LYS 53 2HG LYS 53 -18.340 29.358 4.684 424 1HD LYS 53 1HD LYS 53 -16.921 28.445 2.883 425 2HD LYS 53 2HD LYS 53 -18.091 28.991 1.682 426 1HE LYS 53 1HE LYS 53 -17.704 31.319 2.283 427 2HE LYS 53 2HE LYS 53 -16.663 30.834 3.635 428 1HZ LYS 53 1HZ LYS 53 -15.413 29.513 1.832 429 2HZ LYS 53 2HZ LYS 53 -16.190 30.548 0.731 430 3HZ LYS 53 3HZ LYS 53 -15.156 31.188 1.916 431 H SER 54 H SER 54 -21.985 26.749 6.579 432 HA SER 54 HA SER 54 -21.810 23.970 5.908 433 1HB SER 54 1HB SER 54 -22.412 25.049 8.112 434 2HB SER 54 2HB SER 54 -23.991 25.433 7.427 435 HG SER 54 HG SER 54 -24.453 23.301 7.259 436 H GLN 55 H GLN 55 -23.710 26.532 4.578 437 HA GLN 55 HA GLN 55 -25.776 24.705 3.488 438 1HB GLN 55 1HB GLN 55 -25.259 27.687 3.476 439 2HB GLN 55 2HB GLN 55 -26.571 26.962 2.547 440 1HG GLN 55 1HG GLN 55 -27.508 25.985 4.596 441 2HG GLN 55 2HG GLN 55 -26.173 26.648 5.538 442 2HE2 GLN 55 2HE2 GLN 55 -27.698 27.983 6.799 443 1HE2 GLN 55 1HE2 GLN 55 -28.407 29.366 6.117 No H/Q in entry = 443 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -20.922 10.450 20.740 2 H2 LYS 1 H2 LYS 1 -22.579 10.482 20.366 3 H3 LYS 1 H3 LYS 1 -21.975 9.333 21.461 4 HA LYS 1 HA LYS 1 -21.086 8.008 19.830 5 1HB LYS 1 1HB LYS 1 -23.427 9.556 18.681 6 2HB LYS 1 2HB LYS 1 -22.828 8.046 17.995 7 1HG LYS 1 1HG LYS 1 -23.193 6.954 20.220 8 2HG LYS 1 2HG LYS 1 -23.922 8.453 20.794 9 1HD LYS 1 1HD LYS 1 -25.636 8.309 19.036 10 2HD LYS 1 2HD LYS 1 -24.894 6.831 18.421 11 1HE LYS 1 1HE LYS 1 -25.371 5.671 20.527 12 2HE LYS 1 2HE LYS 1 -26.028 7.166 21.223 13 1HZ LYS 1 1HZ LYS 1 -27.402 7.126 18.997 14 2HZ LYS 1 2HZ LYS 1 -27.124 5.454 19.105 15 3HZ LYS 1 3HZ LYS 1 -27.931 6.260 20.360 16 H ASN 2 H ASN 2 -22.160 10.651 17.702 17 HA ASN 2 HA ASN 2 -19.598 10.459 16.220 18 1HB ASN 2 1HB ASN 2 -22.150 12.023 15.715 19 2HB ASN 2 2HB ASN 2 -20.847 11.769 14.556 20 2HD2 ASN 2 2HD2 ASN 2 -20.286 9.023 15.013 21 1HD2 ASN 2 1HD2 ASN 2 -21.644 8.103 14.576 22 H GLU 3 H GLU 3 -18.021 12.018 16.390 23 HA GLU 3 HA GLU 3 -18.051 14.031 18.405 24 1HB GLU 3 1HB GLU 3 -16.449 13.762 15.839 25 2HB GLU 3 2HB GLU 3 -16.010 14.798 17.196 26 1HG GLU 3 1HG GLU 3 -15.829 12.858 18.669 27 2HG GLU 3 2HG GLU 3 -16.387 11.794 17.378 28 H ASP 4 H ASP 4 -19.189 14.053 15.088 29 HA ASP 4 HA ASP 4 -19.248 16.888 14.648 30 1HB ASP 4 1HB ASP 4 -20.781 14.503 13.597 31 2HB ASP 4 2HB ASP 4 -21.056 16.131 12.977 32 H GLN 5 H GLN 5 -21.166 14.820 16.641 33 HA GLN 5 HA GLN 5 -23.513 16.598 16.704 34 1HB GLN 5 1HB GLN 5 -22.631 14.063 18.095 35 2HB GLN 5 2HB GLN 5 -24.118 14.895 18.549 36 1HG GLN 5 1HG GLN 5 -23.418 13.780 15.817 37 2HG GLN 5 2HG GLN 5 -24.672 13.193 16.910 38 2HE2 GLN 5 2HE2 GLN 5 -25.209 14.143 14.207 39 1HE2 GLN 5 1HE2 GLN 5 -26.174 15.533 14.341 40 H GLU 6 H GLU 6 -20.905 15.606 18.908 41 HA GLU 6 HA GLU 6 -21.662 17.692 20.868 42 1HB GLU 6 1HB GLU 6 -19.573 15.501 20.713 43 2HB GLU 6 2HB GLU 6 -19.676 16.622 22.071 44 1HG GLU 6 1HG GLU 6 -20.975 14.788 22.786 45 2HG GLU 6 2HG GLU 6 -22.179 15.920 22.169 46 H MET 7 H MET 7 -19.720 17.398 18.097 47 HA MET 7 HA MET 7 -18.119 18.823 17.130 48 1HB MET 7 1HB MET 7 -19.136 20.662 19.322 49 2HB MET 7 2HB MET 7 -18.323 21.163 17.840 50 1HG MET 7 1HG MET 7 -20.208 19.936 16.592 51 2HG MET 7 2HG MET 7 -21.057 19.910 18.137 52 1HE MET 7 1HE MET 7 -21.438 21.537 19.525 53 2HE MET 7 2HE MET 7 -21.251 23.280 19.349 54 3HE MET 7 3HE MET 7 -22.712 22.479 18.755 55 H CYS 8 H CYS 8 -16.750 20.919 18.854 56 HA CYS 8 HA CYS 8 -14.735 19.078 20.056 57 1HB CYS 8 1HB CYS 8 -14.756 21.944 19.086 58 2HB CYS 8 2HB CYS 8 -13.390 21.269 19.974 59 H HIS 9 H HIS 9 -14.966 18.788 22.242 60 HA HIS 9 HA HIS 9 -16.093 21.033 23.871 61 1HB HIS 9 1HB HIS 9 -16.638 19.240 25.463 62 2HB HIS 9 2HB HIS 9 -17.242 18.820 23.861 63 HD1 HIS 9 HD1 HIS 9 -14.199 18.157 26.060 64 HD2 HIS 9 HD2 HIS 9 -16.294 16.395 22.915 65 HE1 HIS 9 HE1 HIS 9 -13.149 15.883 25.685 66 H GLU 10 H GLU 10 -13.272 19.026 23.366 67 HA GLU 10 HA GLU 10 -11.990 20.000 25.866 68 1HB GLU 10 1HB GLU 10 -11.953 17.594 25.035 69 2HB GLU 10 2HB GLU 10 -10.926 18.149 23.714 70 1HG GLU 10 1HG GLU 10 -9.343 19.085 25.434 71 2HG GLU 10 2HG GLU 10 -10.329 18.322 26.682 72 H PHE 11 H PHE 11 -11.517 20.079 22.324 73 HA PHE 11 HA PHE 11 -9.173 21.817 22.494 74 1HB PHE 11 1HB PHE 11 -11.012 20.824 20.316 75 2HB PHE 11 2HB PHE 11 -9.679 21.921 19.973 76 HD1 PHE 11 HD1 PHE 11 -10.460 18.620 21.562 77 HD2 PHE 11 HD2 PHE 11 -7.491 21.102 19.694 78 HE1 PHE 11 HE1 PHE 11 -8.885 16.707 21.521 79 HE2 PHE 11 HE2 PHE 11 -5.916 19.186 19.654 80 HZ PHE 11 HZ PHE 11 -6.615 16.990 20.568 81 H GLN 12 H GLN 12 -12.616 22.282 22.475 82 HA GLN 12 HA GLN 12 -13.014 24.732 21.216 83 1HB GLN 12 1HB GLN 12 -14.595 23.183 22.563 84 2HB GLN 12 2HB GLN 12 -14.091 24.120 23.971 85 1HG GLN 12 1HG GLN 12 -14.664 26.176 22.403 86 2HG GLN 12 2HG GLN 12 -15.676 24.991 21.579 87 2HE2 GLN 12 2HE2 GLN 12 -17.466 26.496 22.484 88 1HE2 GLN 12 1HE2 GLN 12 -18.025 26.177 24.055 89 H ALA 13 H ALA 13 -11.597 24.149 24.427 90 HA ALA 13 HA ALA 13 -11.340 26.893 25.215 91 1HB ALA 13 1HB ALA 13 -9.230 25.059 26.106 92 2HB ALA 13 2HB ALA 13 -10.472 25.876 27.055 93 3HB ALA 13 3HB ALA 13 -10.842 24.356 26.239 94 H PHE 14 H PHE 14 -9.673 24.995 22.862 95 HA PHE 14 HA PHE 14 -7.218 26.618 22.889 96 1HB PHE 14 1HB PHE 14 -8.301 24.470 21.038 97 2HB PHE 14 2HB PHE 14 -6.658 25.105 20.997 98 HD1 PHE 14 HD1 PHE 14 -6.995 25.391 24.272 99 HD2 PHE 14 HD2 PHE 14 -7.114 22.222 21.373 100 HE1 PHE 14 HE1 PHE 14 -6.329 23.767 26.022 101 HE2 PHE 14 HE2 PHE 14 -6.448 20.597 23.124 102 HZ PHE 14 HZ PHE 14 -6.055 21.369 25.448 103 H MET 15 H MET 15 -10.166 27.532 22.073 104 HA MET 15 HA MET 15 -9.690 28.470 19.318 105 1HB MET 15 1HB MET 15 -11.940 28.830 21.322 106 2HB MET 15 2HB MET 15 -12.007 29.333 19.634 107 1HG MET 15 1HG MET 15 -11.664 27.024 18.905 108 2HG MET 15 2HG MET 15 -11.505 26.501 20.578 109 1HE MET 15 1HE MET 15 -13.596 27.289 17.658 110 2HE MET 15 2HE MET 15 -15.229 27.634 18.222 111 3HE MET 15 3HE MET 15 -13.953 28.827 18.455 112 H LYS 16 H LYS 16 -8.167 30.115 19.328 113 HA LYS 16 HA LYS 16 -8.408 32.306 21.333 114 1HB LYS 16 1HB LYS 16 -6.218 31.289 20.978 115 2HB LYS 16 2HB LYS 16 -6.335 31.572 19.241 116 1HG LYS 16 1HG LYS 16 -6.419 34.015 19.659 117 2HG LYS 16 2HG LYS 16 -6.258 33.713 21.390 118 1HD LYS 16 1HD LYS 16 -4.242 32.925 19.262 119 2HD LYS 16 2HD LYS 16 -4.070 34.265 20.395 120 1HE LYS 16 1HE LYS 16 -4.144 32.670 22.292 121 2HE LYS 16 2HE LYS 16 -4.300 31.326 21.145 122 1HZ LYS 16 1HZ LYS 16 -2.243 32.137 20.066 123 2HZ LYS 16 2HZ LYS 16 -2.068 33.289 21.302 124 3HZ LYS 16 3HZ LYS 16 -1.983 31.636 21.667 125 H ASN 17 H ASN 17 -10.029 33.705 20.614 126 HA ASN 17 HA ASN 17 -11.068 35.320 19.232 127 1HB ASN 17 1HB ASN 17 -8.603 36.003 19.297 128 2HB ASN 17 2HB ASN 17 -8.441 35.212 17.730 129 2HD2 ASN 17 2HD2 ASN 17 -8.771 38.221 18.944 130 1HD2 ASN 17 1HD2 ASN 17 -9.718 38.945 17.735 131 H GLY 18 H GLY 18 -11.946 32.850 18.579 132 1HA GLY 18 1HA GLY 18 -12.618 33.053 15.798 133 2HA GLY 18 2HA GLY 18 -12.945 31.655 16.823 134 H LYS 19 H LYS 19 -9.986 31.538 17.498 135 HA LYS 19 HA LYS 19 -9.103 30.232 14.945 136 1HB LYS 19 1HB LYS 19 -8.065 32.491 15.564 137 2HB LYS 19 2HB LYS 19 -7.334 31.666 16.940 138 1HG LYS 19 1HG LYS 19 -7.028 30.457 14.215 139 2HG LYS 19 2HG LYS 19 -6.035 31.853 14.635 140 1HD LYS 19 1HD LYS 19 -5.206 30.684 16.631 141 2HD LYS 19 2HD LYS 19 -6.233 29.298 16.261 142 1HE LYS 19 1HE LYS 19 -4.034 28.763 15.418 143 2HE LYS 19 2HE LYS 19 -5.013 29.185 14.001 144 1HZ LYS 19 1HZ LYS 19 -3.531 31.250 15.516 145 2HZ LYS 19 2HZ LYS 19 -2.761 30.358 14.296 146 3HZ LYS 19 3HZ LYS 19 -4.111 31.318 13.920 147 H LEU 20 H LEU 20 -9.223 28.061 15.461 148 HA LEU 20 HA LEU 20 -8.663 27.092 18.180 149 1HB LEU 20 1HB LEU 20 -10.380 26.274 16.396 150 2HB LEU 20 2HB LEU 20 -9.003 25.441 15.676 151 HG LEU 20 HG LEU 20 -10.074 25.092 18.490 152 1HD1 LEU 20 1HD1 LEU 20 -10.812 23.889 16.101 153 2HD1 LEU 20 2HD1 LEU 20 -9.655 22.748 16.785 154 3HD1 LEU 20 3HD1 LEU 20 -11.081 23.220 17.710 155 1HD2 LEU 20 1HD2 LEU 20 -7.544 24.104 17.163 156 2HD2 LEU 20 2HD2 LEU 20 -7.704 24.961 18.696 157 3HD2 LEU 20 3HD2 LEU 20 -8.249 23.290 18.560 158 H PHE 21 H PHE 21 -6.463 27.177 18.702 159 HA PHE 21 HA PHE 21 -4.472 26.419 16.642 160 1HB PHE 21 1HB PHE 21 -2.872 27.074 18.517 161 2HB PHE 21 2HB PHE 21 -3.931 28.358 17.941 162 HD1 PHE 21 HD1 PHE 21 -3.225 26.032 20.720 163 HD2 PHE 21 HD2 PHE 21 -5.736 29.229 19.325 164 HE1 PHE 21 HE1 PHE 21 -4.071 26.373 23.023 165 HE2 PHE 21 HE2 PHE 21 -6.582 29.567 21.630 166 HZ PHE 21 HZ PHE 21 -5.749 28.140 23.480 167 H CYS 22 H CYS 22 -5.489 24.171 16.694 168 HA CYS 22 HA CYS 22 -5.439 22.365 18.817 169 1HB CYS 22 1HB CYS 22 -5.926 22.300 16.143 170 2HB CYS 22 2HB CYS 22 -4.421 21.385 16.213 171 HA PRO 23 HA PRO 23 -0.817 21.330 17.729 172 1HB PRO 23 1HB PRO 23 0.347 23.751 16.694 173 2HB PRO 23 2HB PRO 23 0.202 22.182 15.899 174 1HG PRO 23 1HG PRO 23 -1.237 24.581 15.304 175 2HG PRO 23 2HG PRO 23 -1.428 22.996 14.552 176 1HD PRO 23 1HD PRO 23 -3.217 24.342 16.387 177 2HD PRO 23 2HD PRO 23 -3.459 22.787 15.562 178 H GLN 24 H GLN 24 -1.465 21.803 20.101 179 HA GLN 24 HA GLN 24 -0.169 24.259 21.188 180 1HB GLN 24 1HB GLN 24 -2.367 23.986 22.003 181 2HB GLN 24 2HB GLN 24 -2.195 22.236 22.131 182 1HG GLN 24 1HG GLN 24 -0.692 22.467 24.024 183 2HG GLN 24 2HG GLN 24 -0.662 24.220 23.838 184 2HE2 GLN 24 2HE2 GLN 24 -3.138 21.607 24.211 185 1HE2 GLN 24 1HE2 GLN 24 -4.121 22.495 25.271 186 H ASP 25 H ASP 25 -0.337 20.758 21.856 187 HA ASP 25 HA ASP 25 2.552 20.582 22.273 188 1HB ASP 25 1HB ASP 25 1.744 21.676 24.349 189 2HB ASP 25 2HB ASP 25 0.630 20.334 24.613 190 H LYS 26 H LYS 26 1.458 19.073 20.478 191 HA LYS 26 HA LYS 26 -0.040 16.773 21.111 192 1HB LYS 26 1HB LYS 26 2.127 17.378 19.091 193 2HB LYS 26 2HB LYS 26 1.221 15.864 19.070 194 1HG LYS 26 1HG LYS 26 -0.891 17.119 18.882 195 2HG LYS 26 2HG LYS 26 -0.001 18.640 18.937 196 1HD LYS 26 1HD LYS 26 1.272 17.851 16.890 197 2HD LYS 26 2HD LYS 26 0.135 16.507 16.789 198 1HE LYS 26 1HE LYS 26 -1.748 18.124 16.633 199 2HE LYS 26 2HE LYS 26 -0.584 19.462 16.691 200 1HZ LYS 26 1HZ LYS 26 0.551 18.006 14.828 201 2HZ LYS 26 2HZ LYS 26 -1.043 17.475 14.583 202 3HZ LYS 26 3HZ LYS 26 -0.664 19.125 14.444 203 H LYS 27 H LYS 27 3.186 17.551 22.066 204 HA LYS 27 HA LYS 27 4.634 15.220 22.196 205 1HB LYS 27 1HB LYS 27 4.100 17.271 24.367 206 2HB LYS 27 2HB LYS 27 5.442 16.129 24.396 207 1HG LYS 27 1HG LYS 27 6.163 17.044 22.159 208 2HG LYS 27 2HG LYS 27 4.926 18.288 22.333 209 1HD LYS 27 1HD LYS 27 5.974 19.100 24.382 210 2HD LYS 27 2HD LYS 27 7.156 17.793 24.330 211 1HE LYS 27 1HE LYS 27 7.991 18.673 22.144 212 2HE LYS 27 2HE LYS 27 6.858 20.029 22.292 213 1HZ LYS 27 1HZ LYS 27 7.856 20.377 24.568 214 2HZ LYS 27 2HZ LYS 27 9.090 19.301 24.111 215 3HZ LYS 27 3HZ LYS 27 8.870 20.759 23.265 216 H PHE 28 H PHE 28 1.643 15.898 23.916 217 HA PHE 28 HA PHE 28 1.696 13.986 25.981 218 1HB PHE 28 1HB PHE 28 -0.635 14.686 24.170 219 2HB PHE 28 2HB PHE 28 -0.722 14.168 25.853 220 HD1 PHE 28 HD1 PHE 28 1.432 15.696 27.121 221 HD2 PHE 28 HD2 PHE 28 -1.396 16.913 24.126 222 HE1 PHE 28 HE1 PHE 28 1.666 18.053 27.857 223 HE2 PHE 28 HE2 PHE 28 -1.164 19.269 24.863 224 HZ PHE 28 HZ PHE 28 0.367 19.840 26.728 225 H PHE 29 H PHE 29 1.639 13.489 22.554 226 HA PHE 29 HA PHE 29 0.323 11.120 22.063 227 1HB PHE 29 1HB PHE 29 1.754 12.478 20.513 228 2HB PHE 29 2HB PHE 29 3.179 11.766 21.267 229 HD1 PHE 29 HD1 PHE 29 3.298 9.162 21.320 230 HD2 PHE 29 HD2 PHE 29 0.713 11.392 18.713 231 HE1 PHE 29 HE1 PHE 29 3.103 7.192 19.828 232 HE2 PHE 29 HE2 PHE 29 0.519 9.421 17.220 233 HZ PHE 29 HZ PHE 29 1.714 7.321 17.777 234 H GLN 30 H GLN 30 3.153 11.540 24.095 235 HA GLN 30 HA GLN 30 4.015 8.802 24.208 236 1HB GLN 30 1HB GLN 30 5.298 9.607 26.109 237 2HB GLN 30 2HB GLN 30 5.261 10.885 24.891 238 1HG GLN 30 1HG GLN 30 3.306 11.895 26.099 239 2HG GLN 30 2HG GLN 30 3.518 10.685 27.366 240 2HE2 GLN 30 2HE2 GLN 30 4.230 13.838 26.741 241 1HE2 GLN 30 1HE2 GLN 30 5.682 13.994 27.605 242 H SER 31 H SER 31 1.134 10.197 25.307 243 HA SER 31 HA SER 31 0.743 7.939 27.242 244 1HB SER 31 1HB SER 31 -0.121 10.840 27.488 245 2HB SER 31 2HB SER 31 -0.501 9.567 28.649 246 HG SER 31 HG SER 31 1.323 10.126 29.508 247 H LEU 32 H LEU 32 -1.461 7.163 27.348 248 HA LEU 32 HA LEU 32 -2.903 6.998 24.938 249 1HB LEU 32 1HB LEU 32 -3.035 5.723 27.220 250 2HB LEU 32 2HB LEU 32 -4.235 6.949 27.636 251 HG LEU 32 HG LEU 32 -4.444 5.482 25.021 252 1HD1 LEU 32 1HD1 LEU 32 -4.690 4.327 27.694 253 2HD1 LEU 32 2HD1 LEU 32 -6.184 4.189 26.767 254 3HD1 LEU 32 3HD1 LEU 32 -4.683 3.522 26.125 255 1HD2 LEU 32 1HD2 LEU 32 -6.277 6.964 26.901 256 2HD2 LEU 32 2HD2 LEU 32 -5.983 7.260 25.187 257 3HD2 LEU 32 3HD2 LEU 32 -6.927 5.857 25.691 258 H ASP 33 H ASP 33 -3.440 9.200 27.691 259 HA ASP 33 HA ASP 33 -5.721 10.561 26.690 260 1HB ASP 33 1HB ASP 33 -3.376 11.420 28.415 261 2HB ASP 33 2HB ASP 33 -4.821 12.407 28.195 262 H GLY 34 H GLY 34 -2.254 11.100 26.136 263 1HA GLY 34 1HA GLY 34 -1.158 12.488 24.581 264 2HA GLY 34 2HA GLY 34 -2.629 13.456 24.500 265 H ILE 35 H ILE 35 -2.035 10.021 23.785 266 HA ILE 35 HA ILE 35 -2.103 10.166 20.958 267 HB ILE 35 HB ILE 35 -2.830 8.104 23.037 268 1HG1 ILE 35 1HG1 ILE 35 -0.464 8.560 22.701 269 2HG1 ILE 35 2HG1 ILE 35 -0.836 6.980 22.009 270 1HG2 ILE 35 1HG2 ILE 35 -2.955 7.754 20.025 271 2HG2 ILE 35 2HG2 ILE 35 -3.058 6.446 21.203 272 3HG2 ILE 35 3HG2 ILE 35 -4.323 7.672 21.134 273 1HD1 ILE 35 1HD1 ILE 35 -1.320 8.546 19.855 274 2HD1 ILE 35 2HD1 ILE 35 -0.079 9.514 20.653 275 3HD1 ILE 35 3HD1 ILE 35 0.264 7.846 20.193 276 H MET 36 H MET 36 -4.710 10.118 23.345 277 HA MET 36 HA MET 36 -6.864 9.776 21.428 278 1HB MET 36 1HB MET 36 -6.472 10.402 24.303 279 2HB MET 36 2HB MET 36 -7.986 10.963 23.594 280 1HG MET 36 1HG MET 36 -8.224 8.591 22.631 281 2HG MET 36 2HG MET 36 -6.928 8.134 23.736 282 1HE MET 36 1HE MET 36 -10.162 8.203 22.926 283 2HE MET 36 2HE MET 36 -11.139 7.952 24.378 284 3HE MET 36 3HE MET 36 -10.851 9.583 23.779 285 H PHE 37 H PHE 37 -6.038 12.651 23.426 286 HA PHE 37 HA PHE 37 -7.590 14.524 22.036 287 1HB PHE 37 1HB PHE 37 -6.657 15.756 23.685 288 2HB PHE 37 2HB PHE 37 -5.527 14.444 24.011 289 HD1 PHE 37 HD1 PHE 37 -3.299 14.406 22.906 290 HD2 PHE 37 HD2 PHE 37 -5.987 17.724 22.482 291 HE1 PHE 37 HE1 PHE 37 -1.437 15.807 22.062 292 HE2 PHE 37 HE2 PHE 37 -4.126 19.124 21.631 293 HZ PHE 37 HZ PHE 37 -1.853 18.156 21.421 294 H ILE 38 H ILE 38 -4.173 13.624 21.360 295 HA ILE 38 HA ILE 38 -3.736 15.262 19.105 296 HB ILE 38 HB ILE 38 -2.827 12.464 19.837 297 1HG1 ILE 38 1HG1 ILE 38 -1.672 15.243 20.125 298 2HG1 ILE 38 2HG1 ILE 38 -2.009 14.070 21.395 299 1HG2 ILE 38 1HG2 ILE 38 -2.648 13.682 17.300 300 2HG2 ILE 38 2HG2 ILE 38 -1.057 13.877 18.031 301 3HG2 ILE 38 3HG2 ILE 38 -1.758 12.268 17.862 302 1HD1 ILE 38 1HD1 ILE 38 -0.299 12.675 19.736 303 2HD1 ILE 38 2HD1 ILE 38 0.346 14.314 19.662 304 3HD1 ILE 38 3HD1 ILE 38 0.176 13.503 21.219 305 H ASN 39 H ASN 39 -5.444 12.171 19.390 306 HA ASN 39 HA ASN 39 -5.800 11.766 16.538 307 1HB ASN 39 1HB ASN 39 -7.057 10.700 19.071 308 2HB ASN 39 2HB ASN 39 -7.594 10.165 17.480 309 2HD2 ASN 39 2HD2 ASN 39 -6.288 8.423 19.410 310 1HD2 ASN 39 1HD2 ASN 39 -4.808 7.935 18.737 311 H LYS 40 H LYS 40 -7.753 13.218 19.114 312 HA LYS 40 HA LYS 40 -10.007 13.791 17.318 313 1HB LYS 40 1HB LYS 40 -9.905 13.282 19.894 314 2HB LYS 40 2HB LYS 40 -9.540 15.002 20.036 315 1HG LYS 40 1HG LYS 40 -11.604 15.394 18.556 316 2HG LYS 40 2HG LYS 40 -12.015 13.709 18.877 317 1HD LYS 40 1HD LYS 40 -12.289 14.091 21.187 318 2HD LYS 40 2HD LYS 40 -11.375 15.599 21.138 319 1HE LYS 40 1HE LYS 40 -13.168 16.806 20.234 320 2HE LYS 40 2HE LYS 40 -13.922 15.355 19.544 321 1HZ LYS 40 1HZ LYS 40 -14.174 14.554 21.889 322 2HZ LYS 40 2HZ LYS 40 -13.707 16.097 22.415 323 3HZ LYS 40 3HZ LYS 40 -15.130 15.906 21.506 324 H CYS 41 H CYS 41 -7.090 15.360 18.377 325 HA CYS 41 HA CYS 41 -7.697 18.100 18.095 326 1HB CYS 41 1HB CYS 41 -5.581 17.355 18.935 327 2HB CYS 41 2HB CYS 41 -5.264 16.406 17.487 328 H ALA 42 H ALA 42 -5.931 16.297 15.587 329 HA ALA 42 HA ALA 42 -6.413 18.040 13.440 330 1HB ALA 42 1HB ALA 42 -5.916 15.090 13.744 331 2HB ALA 42 2HB ALA 42 -6.207 15.754 12.137 332 3HB ALA 42 3HB ALA 42 -4.846 16.333 13.096 333 H THR 43 H THR 43 -8.514 15.569 14.814 334 HA THR 43 HA THR 43 -10.485 15.684 12.656 335 HB THR 43 HB THR 43 -10.548 14.553 15.474 336 HG1 THR 43 HG1 THR 43 -9.601 13.670 13.011 337 1HG2 THR 43 1HG2 THR 43 -12.318 14.009 13.074 338 2HG2 THR 43 2HG2 THR 43 -12.403 13.167 14.622 339 3HG2 THR 43 3HG2 THR 43 -12.799 14.884 14.528 340 H CYS 44 H CYS 44 -9.850 17.401 15.622 341 HA CYS 44 HA CYS 44 -12.569 18.473 15.904 342 1HB CYS 44 1HB CYS 44 -11.213 18.149 17.870 343 2HB CYS 44 2HB CYS 44 -9.868 19.041 17.158 344 H LYS 45 H LYS 45 -9.395 19.645 14.771 345 HA LYS 45 HA LYS 45 -10.036 22.338 14.230 346 1HB LYS 45 1HB LYS 45 -7.787 21.483 14.087 347 2HB LYS 45 2HB LYS 45 -8.251 20.307 12.859 348 1HG LYS 45 1HG LYS 45 -9.037 22.617 11.649 349 2HG LYS 45 2HG LYS 45 -7.657 23.196 12.580 350 1HD LYS 45 1HD LYS 45 -7.560 20.745 10.802 351 2HD LYS 45 2HD LYS 45 -7.082 22.356 10.264 352 1HE LYS 45 1HE LYS 45 -5.407 22.451 12.114 353 2HE LYS 45 2HE LYS 45 -5.850 20.792 12.564 354 1HZ LYS 45 1HZ LYS 45 -5.171 21.466 9.769 355 2HZ LYS 45 2HZ LYS 45 -3.935 21.148 10.886 356 3HZ LYS 45 3HZ LYS 45 -5.101 19.958 10.549 357 H MET 46 H MET 46 -10.576 19.425 12.241 358 HA MET 46 HA MET 46 -11.572 20.783 9.916 359 1HB MET 46 1HB MET 46 -12.338 18.551 9.315 360 2HB MET 46 2HB MET 46 -10.781 18.403 10.128 361 1HG MET 46 1HG MET 46 -11.733 17.033 11.635 362 2HG MET 46 2HG MET 46 -12.768 18.360 12.152 363 1HE MET 46 1HE MET 46 -13.649 15.914 12.756 364 2HE MET 46 2HE MET 46 -15.000 15.219 11.863 365 3HE MET 46 3HE MET 46 -13.341 14.760 11.461 366 H ILE 47 H ILE 47 -12.995 20.006 13.001 367 HA ILE 47 HA ILE 47 -15.770 20.039 12.329 368 HB ILE 47 HB ILE 47 -14.365 21.034 14.833 369 1HG1 ILE 47 1HG1 ILE 47 -13.524 18.833 14.339 370 2HG1 ILE 47 2HG1 ILE 47 -14.747 18.643 15.594 371 1HG2 ILE 47 1HG2 ILE 47 -17.155 19.999 14.266 372 2HG2 ILE 47 2HG2 ILE 47 -16.493 20.138 15.895 373 3HG2 ILE 47 3HG2 ILE 47 -16.705 21.581 14.903 374 1HD1 ILE 47 1HD1 ILE 47 -15.227 18.269 12.621 375 2HD1 ILE 47 2HD1 ILE 47 -15.011 16.961 13.785 376 3HD1 ILE 47 3HD1 ILE 47 -16.414 18.022 13.902 377 H LEU 48 H LEU 48 -13.467 22.646 13.039 378 HA LEU 48 HA LEU 48 -15.428 24.781 13.048 379 1HB LEU 48 1HB LEU 48 -12.425 24.562 12.755 380 2HB LEU 48 2HB LEU 48 -13.246 26.122 12.708 381 HG LEU 48 HG LEU 48 -12.506 25.665 14.989 382 1HD1 LEU 48 1HD1 LEU 48 -15.033 26.420 14.255 383 2HD1 LEU 48 2HD1 LEU 48 -15.377 25.065 15.330 384 3HD1 LEU 48 3HD1 LEU 48 -14.438 26.437 15.915 385 1HD2 LEU 48 1HD2 LEU 48 -12.570 23.127 14.611 386 2HD2 LEU 48 2HD2 LEU 48 -13.108 23.700 16.190 387 3HD2 LEU 48 3HD2 LEU 48 -14.293 23.228 14.972 388 H GLU 49 H GLU 49 -13.275 23.363 10.595 389 HA GLU 49 HA GLU 49 -13.742 25.243 8.499 390 1HB GLU 49 1HB GLU 49 -13.187 22.257 8.447 391 2HB GLU 49 2HB GLU 49 -12.964 23.350 7.081 392 1HG GLU 49 1HG GLU 49 -11.344 24.667 8.427 393 2HG GLU 49 2HG GLU 49 -11.541 23.525 9.755 394 H LYS 50 H LYS 50 -15.717 22.652 9.779 395 HA LYS 50 HA LYS 50 -17.477 22.413 7.470 396 1HB LYS 50 1HB LYS 50 -17.577 21.586 10.382 397 2HB LYS 50 2HB LYS 50 -18.867 21.194 9.246 398 1HG LYS 50 1HG LYS 50 -16.026 20.556 8.515 399 2HG LYS 50 2HG LYS 50 -16.892 19.490 9.622 400 1HD LYS 50 1HD LYS 50 -18.698 19.226 7.965 401 2HD LYS 50 2HD LYS 50 -17.851 20.309 6.861 402 1HE LYS 50 1HE LYS 50 -17.381 17.966 6.254 403 2HE LYS 50 2HE LYS 50 -15.902 18.718 6.881 404 1HZ LYS 50 1HZ LYS 50 -17.750 17.520 8.810 405 2HZ LYS 50 2HZ LYS 50 -16.833 16.453 7.861 406 3HZ LYS 50 3HZ LYS 50 -16.053 17.598 8.844 407 H GLU 51 H GLU 51 -17.748 24.008 10.668 408 HA GLU 51 HA GLU 51 -20.343 25.075 10.432 409 1HB GLU 51 1HB GLU 51 -17.805 26.180 11.675 410 2HB GLU 51 2HB GLU 51 -19.416 26.819 12.002 411 1HG GLU 51 1HG GLU 51 -20.129 24.606 12.828 412 2HG GLU 51 2HG GLU 51 -18.521 23.962 12.496 413 H ALA 52 H ALA 52 -17.366 26.068 8.861 414 HA ALA 52 HA ALA 52 -18.381 28.673 7.988 415 1HB ALA 52 1HB ALA 52 -16.014 28.319 8.365 416 2HB ALA 52 2HB ALA 52 -16.244 28.570 6.635 417 3HB ALA 52 3HB ALA 52 -15.998 26.941 7.265 418 H LYS 53 H LYS 53 -19.256 29.151 5.954 419 HA LYS 53 HA LYS 53 -20.686 27.171 4.510 420 1HB LYS 53 1HB LYS 53 -19.627 29.904 3.721 421 2HB LYS 53 2HB LYS 53 -20.848 29.016 2.810 422 1HG LYS 53 1HG LYS 53 -22.365 29.048 4.704 423 2HG LYS 53 2HG LYS 53 -21.127 29.765 5.735 424 1HD LYS 53 1HD LYS 53 -21.094 31.775 4.306 425 2HD LYS 53 2HD LYS 53 -22.322 31.057 3.263 426 1HE LYS 53 1HE LYS 53 -23.851 30.923 5.267 427 2HE LYS 53 2HE LYS 53 -22.636 31.834 6.183 428 1HZ LYS 53 1HZ LYS 53 -23.378 32.836 3.537 429 2HZ LYS 53 2HZ LYS 53 -24.515 33.042 4.783 430 3HZ LYS 53 3HZ LYS 53 -22.954 33.696 4.935 431 H SER 54 H SER 54 -17.330 27.994 4.418 432 HA SER 54 HA SER 54 -16.667 27.296 1.726 433 1HB SER 54 1HB SER 54 -15.119 27.048 4.326 434 2HB SER 54 2HB SER 54 -14.400 27.012 2.717 435 HG SER 54 HG SER 54 -14.269 29.092 3.178 436 H GLN 55 H GLN 55 -17.464 25.340 4.516 437 HA GLN 55 HA GLN 55 -17.504 22.990 4.814 438 1HB GLN 55 1HB GLN 55 -19.204 23.466 3.048 439 2HB GLN 55 2HB GLN 55 -17.963 23.212 1.822 440 1HG GLN 55 1HG GLN 55 -19.143 21.134 2.020 441 2HG GLN 55 2HG GLN 55 -17.601 20.905 2.846 442 2HE2 GLN 55 2HE2 GLN 55 -20.838 20.274 3.223 443 1HE2 GLN 55 1HE2 GLN 55 -20.933 20.269 4.918 No H/Q in entry = 443 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -31.681 17.814 18.759 2 H2 LYS 1 H2 LYS 1 -31.789 19.029 19.941 3 H3 LYS 1 H3 LYS 1 -31.864 19.434 18.291 4 HA LYS 1 HA LYS 1 -29.620 19.240 17.976 5 1HB LYS 1 1HB LYS 1 -30.062 19.825 20.922 6 2HB LYS 1 2HB LYS 1 -28.587 20.219 20.037 7 1HG LYS 1 1HG LYS 1 -29.863 21.659 18.514 8 2HG LYS 1 2HG LYS 1 -31.362 21.227 19.334 9 1HD LYS 1 1HD LYS 1 -30.435 22.180 21.446 10 2HD LYS 1 2HD LYS 1 -29.003 22.692 20.555 11 1HE LYS 1 1HE LYS 1 -30.395 24.111 19.096 12 2HE LYS 1 2HE LYS 1 -31.852 23.571 19.951 13 1HZ LYS 1 1HZ LYS 1 -30.753 24.327 22.039 14 2HZ LYS 1 2HZ LYS 1 -29.525 25.027 21.095 15 3HZ LYS 1 3HZ LYS 1 -31.118 25.594 20.967 16 H ASN 2 H ASN 2 -27.875 17.824 18.001 17 HA ASN 2 HA ASN 2 -28.209 15.268 19.423 18 1HB ASN 2 1HB ASN 2 -26.205 16.415 17.461 19 2HB ASN 2 2HB ASN 2 -26.093 14.774 18.097 20 2HD2 ASN 2 2HD2 ASN 2 -28.779 13.968 18.101 21 1HD2 ASN 2 1HD2 ASN 2 -29.384 13.976 16.514 22 H GLU 3 H GLU 3 -27.201 14.788 21.340 23 HA GLU 3 HA GLU 3 -25.522 16.780 22.666 24 1HB GLU 3 1HB GLU 3 -26.512 13.987 23.287 25 2HB GLU 3 2HB GLU 3 -25.480 14.886 24.400 26 1HG GLU 3 1HG GLU 3 -28.119 15.910 23.309 27 2HG GLU 3 2HG GLU 3 -27.924 15.154 24.891 28 H ASP 4 H ASP 4 -24.943 14.205 20.494 29 HA ASP 4 HA ASP 4 -22.020 14.451 20.921 30 1HB ASP 4 1HB ASP 4 -23.342 12.543 22.290 31 2HB ASP 4 2HB ASP 4 -23.111 11.680 20.770 32 H GLN 5 H GLN 5 -22.235 15.418 18.743 33 HA GLN 5 HA GLN 5 -22.510 13.324 16.615 34 1HB GLN 5 1HB GLN 5 -24.511 14.839 16.882 35 2HB GLN 5 2HB GLN 5 -23.464 16.200 16.481 36 1HG GLN 5 1HG GLN 5 -22.897 15.071 14.324 37 2HG GLN 5 2HG GLN 5 -24.056 13.802 14.721 38 2HE2 GLN 5 2HE2 GLN 5 -25.212 14.581 12.687 39 1HE2 GLN 5 1HE2 GLN 5 -26.241 15.925 12.809 40 H GLU 6 H GLU 6 -20.042 13.449 17.034 41 HA GLU 6 HA GLU 6 -17.924 14.101 16.209 42 1HB GLU 6 1HB GLU 6 -19.552 15.745 14.255 43 2HB GLU 6 2HB GLU 6 -17.967 15.018 13.993 44 1HG GLU 6 1HG GLU 6 -19.000 12.762 14.251 45 2HG GLU 6 2HG GLU 6 -20.580 13.530 14.402 46 H MET 7 H MET 7 -19.568 15.840 18.162 47 HA MET 7 HA MET 7 -18.610 18.569 17.589 48 1HB MET 7 1HB MET 7 -20.135 17.226 19.838 49 2HB MET 7 2HB MET 7 -19.739 18.945 19.844 50 1HG MET 7 1HG MET 7 -20.974 19.283 17.772 51 2HG MET 7 2HG MET 7 -21.272 17.550 17.630 52 1HE MET 7 1HE MET 7 -21.126 20.297 19.984 53 2HE MET 7 2HE MET 7 -22.757 20.908 19.669 54 3HE MET 7 3HE MET 7 -22.404 20.068 21.176 55 H CYS 8 H CYS 8 -16.889 19.571 18.669 56 HA CYS 8 HA CYS 8 -15.286 17.829 20.517 57 1HB CYS 8 1HB CYS 8 -14.300 18.186 18.277 58 2HB CYS 8 2HB CYS 8 -14.410 19.931 18.508 59 H HIS 9 H HIS 9 -14.892 18.714 22.518 60 HA HIS 9 HA HIS 9 -15.338 21.664 22.859 61 1HB HIS 9 1HB HIS 9 -16.052 19.347 24.689 62 2HB HIS 9 2HB HIS 9 -16.310 21.051 25.065 63 HD1 HIS 9 HD1 HIS 9 -17.622 22.269 22.777 64 HD2 HIS 9 HD2 HIS 9 -18.413 18.294 23.750 65 HE1 HIS 9 HE1 HIS 9 -19.842 21.697 21.702 66 H GLU 10 H GLU 10 -13.181 19.051 23.191 67 HA GLU 10 HA GLU 10 -11.739 20.035 25.539 68 1HB GLU 10 1HB GLU 10 -10.282 18.170 25.055 69 2HB GLU 10 2HB GLU 10 -11.930 17.641 24.722 70 1HG GLU 10 1HG GLU 10 -11.494 18.378 22.296 71 2HG GLU 10 2HG GLU 10 -9.790 18.444 22.749 72 H PHE 11 H PHE 11 -11.319 20.205 21.999 73 HA PHE 11 HA PHE 11 -8.784 21.675 22.223 74 1HB PHE 11 1HB PHE 11 -10.657 20.803 20.037 75 2HB PHE 11 2HB PHE 11 -9.343 21.915 19.680 76 HD1 PHE 11 HD1 PHE 11 -10.197 18.489 20.749 77 HD2 PHE 11 HD2 PHE 11 -7.013 21.213 19.813 78 HE1 PHE 11 HE1 PHE 11 -8.605 16.594 20.648 79 HE2 PHE 11 HE2 PHE 11 -5.417 19.317 19.716 80 HZ PHE 11 HZ PHE 11 -6.216 17.010 20.134 81 H GLN 12 H GLN 12 -12.175 22.425 22.153 82 HA GLN 12 HA GLN 12 -12.352 24.939 20.973 83 1HB GLN 12 1HB GLN 12 -14.171 23.640 22.093 84 2HB GLN 12 2HB GLN 12 -13.486 24.080 23.658 85 1HG GLN 12 1HG GLN 12 -13.775 26.489 23.063 86 2HG GLN 12 2HG GLN 12 -14.560 25.993 21.564 87 2HE2 GLN 12 2HE2 GLN 12 -16.798 26.075 21.760 88 1HE2 GLN 12 1HE2 GLN 12 -17.672 25.714 23.169 89 H ALA 13 H ALA 13 -11.143 24.167 24.241 90 HA ALA 13 HA ALA 13 -10.609 26.810 25.130 91 1HB ALA 13 1HB ALA 13 -8.879 25.565 26.542 92 2HB ALA 13 2HB ALA 13 -9.305 24.118 25.629 93 3HB ALA 13 3HB ALA 13 -10.519 24.923 26.623 94 H PHE 14 H PHE 14 -9.027 24.847 22.726 95 HA PHE 14 HA PHE 14 -6.549 26.457 22.775 96 1HB PHE 14 1HB PHE 14 -7.505 24.271 20.904 97 2HB PHE 14 2HB PHE 14 -5.849 24.835 21.097 98 HD1 PHE 14 HD1 PHE 14 -6.458 25.201 24.261 99 HD2 PHE 14 HD2 PHE 14 -6.661 21.969 21.445 100 HE1 PHE 14 HE1 PHE 14 -6.123 23.573 26.102 101 HE2 PHE 14 HE2 PHE 14 -6.329 20.341 23.280 102 HZ PHE 14 HZ PHE 14 -6.060 21.142 25.613 103 H MET 15 H MET 15 -9.425 27.401 21.896 104 HA MET 15 HA MET 15 -8.810 28.226 19.107 105 1HB MET 15 1HB MET 15 -11.162 28.605 18.976 106 2HB MET 15 2HB MET 15 -10.980 27.125 19.909 107 1HG MET 15 1HG MET 15 -11.008 28.678 21.984 108 2HG MET 15 2HG MET 15 -11.658 29.897 20.890 109 1HE MET 15 1HE MET 15 -13.905 30.375 21.394 110 2HE MET 15 2HE MET 15 -15.066 29.279 22.140 111 3HE MET 15 3HE MET 15 -13.567 29.669 22.982 112 H LYS 16 H LYS 16 -7.820 30.189 18.884 113 HA LYS 16 HA LYS 16 -8.082 32.223 21.039 114 1HB LYS 16 1HB LYS 16 -5.862 31.535 20.146 115 2HB LYS 16 2HB LYS 16 -6.354 32.079 18.543 116 1HG LYS 16 1HG LYS 16 -5.065 33.856 19.557 117 2HG LYS 16 2HG LYS 16 -6.753 34.366 19.536 118 1HD LYS 16 1HD LYS 16 -5.943 34.872 21.730 119 2HD LYS 16 2HD LYS 16 -6.928 33.419 21.903 120 1HE LYS 16 1HE LYS 16 -4.974 32.008 21.992 121 2HE LYS 16 2HE LYS 16 -3.916 33.349 21.516 122 1HZ LYS 16 1HZ LYS 16 -5.101 34.479 23.559 123 2HZ LYS 16 2HZ LYS 16 -5.289 32.869 24.066 124 3HZ LYS 16 3HZ LYS 16 -3.738 33.492 23.781 125 H ASN 17 H ASN 17 -10.367 32.714 20.404 126 HA ASN 17 HA ASN 17 -11.891 34.205 19.375 127 1HB ASN 17 1HB ASN 17 -9.671 35.570 19.507 128 2HB ASN 17 2HB ASN 17 -9.544 35.232 17.780 129 2HD2 ASN 17 2HD2 ASN 17 -10.544 37.624 19.782 130 1HD2 ASN 17 1HD2 ASN 17 -11.822 38.272 18.874 131 H GLY 18 H GLY 18 -11.879 31.688 18.329 132 1HA GLY 18 1HA GLY 18 -12.503 32.198 15.497 133 2HA GLY 18 2HA GLY 18 -12.863 30.718 16.386 134 H LYS 19 H LYS 19 -9.655 31.892 16.766 135 HA LYS 19 HA LYS 19 -8.592 30.285 14.511 136 1HB LYS 19 1HB LYS 19 -7.886 32.662 15.401 137 2HB LYS 19 2HB LYS 19 -6.963 31.733 16.582 138 1HG LYS 19 1HG LYS 19 -6.785 31.306 13.586 139 2HG LYS 19 2HG LYS 19 -5.663 32.311 14.502 140 1HD LYS 19 1HD LYS 19 -5.135 30.327 15.936 141 2HD LYS 19 2HD LYS 19 -6.162 29.343 14.893 142 1HE LYS 19 1HE LYS 19 -4.730 29.889 12.953 143 2HE LYS 19 2HE LYS 19 -3.703 30.894 13.993 144 1HZ LYS 19 1HZ LYS 19 -4.337 28.127 14.785 145 2HZ LYS 19 2HZ LYS 19 -3.111 28.400 13.639 146 3HZ LYS 19 3HZ LYS 19 -2.986 29.074 15.191 147 H LEU 20 H LEU 20 -8.660 28.102 15.051 148 HA LEU 20 HA LEU 20 -8.066 27.161 17.765 149 1HB LEU 20 1HB LEU 20 -9.659 26.253 15.878 150 2HB LEU 20 2HB LEU 20 -8.199 25.461 15.287 151 HG LEU 20 HG LEU 20 -9.347 25.194 18.084 152 1HD1 LEU 20 1HD1 LEU 20 -10.557 24.044 16.143 153 2HD1 LEU 20 2HD1 LEU 20 -9.098 23.075 15.938 154 3HD1 LEU 20 3HD1 LEU 20 -10.009 22.989 17.445 155 1HD2 LEU 20 1HD2 LEU 20 -6.949 23.907 16.743 156 2HD2 LEU 20 2HD2 LEU 20 -6.907 25.043 18.091 157 3HD2 LEU 20 3HD2 LEU 20 -7.593 23.433 18.315 158 H PHE 21 H PHE 21 -5.937 27.146 18.425 159 HA PHE 21 HA PHE 21 -3.807 26.674 16.396 160 1HB PHE 21 1HB PHE 21 -2.375 27.280 18.491 161 2HB PHE 21 2HB PHE 21 -3.318 28.555 17.724 162 HD1 PHE 21 HD1 PHE 21 -3.131 26.256 20.618 163 HD2 PHE 21 HD2 PHE 21 -5.234 29.539 18.814 164 HE1 PHE 21 HE1 PHE 21 -4.319 26.671 22.755 165 HE2 PHE 21 HE2 PHE 21 -6.424 29.952 20.951 166 HZ PHE 21 HZ PHE 21 -5.965 28.519 22.921 167 H CYS 22 H CYS 22 -4.727 24.355 16.372 168 HA CYS 22 HA CYS 22 -4.610 22.496 18.443 169 1HB CYS 22 1HB CYS 22 -4.905 22.518 15.690 170 2HB CYS 22 2HB CYS 22 -3.454 21.543 15.922 171 HA PRO 23 HA PRO 23 0.090 21.764 17.453 172 1HB PRO 23 1HB PRO 23 1.117 24.248 16.426 173 2HB PRO 23 2HB PRO 23 1.077 22.673 15.631 174 1HG PRO 23 1HG PRO 23 -0.497 24.980 15.014 175 2HG PRO 23 2HG PRO 23 -0.582 23.385 14.263 176 1HD PRO 23 1HD PRO 23 -2.474 24.620 16.075 177 2HD PRO 23 2HD PRO 23 -2.611 23.052 15.249 178 H GLN 24 H GLN 24 -0.353 22.059 19.804 179 HA GLN 24 HA GLN 24 0.924 24.550 20.885 180 1HB GLN 24 1HB GLN 24 -1.405 24.665 21.368 181 2HB GLN 24 2HB GLN 24 -1.488 22.945 21.742 182 1HG GLN 24 1HG GLN 24 0.108 23.424 23.679 183 2HG GLN 24 2HG GLN 24 -0.189 25.135 23.378 184 2HE2 GLN 24 2HE2 GLN 24 -1.811 22.075 24.273 185 1HE2 GLN 24 1HE2 GLN 24 -3.161 22.813 24.993 186 H ASP 25 H ASP 25 -0.176 21.556 22.430 187 HA ASP 25 HA ASP 25 2.665 20.863 23.064 188 1HB ASP 25 1HB ASP 25 1.262 22.176 24.838 189 2HB ASP 25 2HB ASP 25 0.426 20.640 25.069 190 H LYS 26 H LYS 26 2.160 19.259 21.277 191 HA LYS 26 HA LYS 26 0.126 17.242 21.596 192 1HB LYS 26 1HB LYS 26 2.568 17.734 19.949 193 2HB LYS 26 2HB LYS 26 1.916 16.096 19.967 194 1HG LYS 26 1HG LYS 26 -0.201 16.826 19.135 195 2HG LYS 26 2HG LYS 26 0.181 18.520 19.445 196 1HD LYS 26 1HD LYS 26 2.210 18.001 17.806 197 2HD LYS 26 2HD LYS 26 1.127 16.731 17.238 198 1HE LYS 26 1HE LYS 26 -0.658 18.446 16.893 199 2HE LYS 26 2HE LYS 26 0.499 19.703 17.371 200 1HZ LYS 26 1HZ LYS 26 2.008 18.871 15.637 201 2HZ LYS 26 2HZ LYS 26 0.825 17.755 15.142 202 3HZ LYS 26 3HZ LYS 26 0.542 19.419 14.978 203 H LYS 27 H LYS 27 2.878 17.779 23.444 204 HA LYS 27 HA LYS 27 4.243 15.434 23.876 205 1HB LYS 27 1HB LYS 27 3.082 17.531 25.694 206 2HB LYS 27 2HB LYS 27 3.978 16.179 26.385 207 1HG LYS 27 1HG LYS 27 5.919 16.722 24.982 208 2HG LYS 27 2HG LYS 27 5.023 18.042 24.232 209 1HD LYS 27 1HD LYS 27 4.703 18.909 26.663 210 2HD LYS 27 2HD LYS 27 6.033 17.824 27.063 211 1HE LYS 27 1HE LYS 27 7.481 18.946 25.424 212 2HE LYS 27 2HE LYS 27 6.138 19.999 24.937 213 1HZ LYS 27 1HZ LYS 27 5.958 20.539 27.403 214 2HZ LYS 27 2HZ LYS 27 7.501 19.848 27.566 215 3HZ LYS 27 3HZ LYS 27 7.282 21.208 26.577 216 H PHE 28 H PHE 28 0.850 16.020 24.571 217 HA PHE 28 HA PHE 28 0.177 14.029 26.403 218 1HB PHE 28 1HB PHE 28 -1.289 14.761 23.849 219 2HB PHE 28 2HB PHE 28 -2.013 14.138 25.329 220 HD1 PHE 28 HD1 PHE 28 -0.889 15.560 27.498 221 HD2 PHE 28 HD2 PHE 28 -1.773 17.026 23.557 222 HE1 PHE 28 HE1 PHE 28 -1.061 17.866 28.394 223 HE2 PHE 28 HE2 PHE 28 -1.947 19.331 24.455 224 HZ PHE 28 HZ PHE 28 -1.590 19.751 26.873 225 H PHE 29 H PHE 29 1.358 13.614 23.149 226 HA PHE 29 HA PHE 29 0.351 11.070 22.443 227 1HB PHE 29 1HB PHE 29 1.675 12.587 21.010 228 2HB PHE 29 2HB PHE 29 3.094 12.305 22.016 229 HD1 PHE 29 HD1 PHE 29 3.813 9.798 22.320 230 HD2 PHE 29 HD2 PHE 29 1.288 11.219 19.150 231 HE1 PHE 29 HE1 PHE 29 4.356 7.781 20.984 232 HE2 PHE 29 HE2 PHE 29 1.832 9.202 17.812 233 HZ PHE 29 HZ PHE 29 3.365 7.483 18.730 234 H GLN 30 H GLN 30 2.497 11.924 25.009 235 HA GLN 30 HA GLN 30 4.079 9.566 25.255 236 1HB GLN 30 1HB GLN 30 3.006 11.628 27.189 237 2HB GLN 30 2HB GLN 30 4.122 10.360 27.695 238 1HG GLN 30 1HG GLN 30 5.513 11.194 25.603 239 2HG GLN 30 2HG GLN 30 4.592 12.677 25.850 240 2HE2 GLN 30 2HE2 GLN 30 5.663 14.117 27.199 241 1HE2 GLN 30 1HE2 GLN 30 6.688 13.683 28.480 242 H SER 31 H SER 31 0.696 9.952 25.631 243 HA SER 31 HA SER 31 0.532 7.229 26.833 244 1HB SER 31 1HB SER 31 -1.241 8.240 28.408 245 2HB SER 31 2HB SER 31 0.445 8.620 28.761 246 HG SER 31 HG SER 31 -1.589 10.262 28.048 247 H LEU 32 H LEU 32 -1.748 6.380 26.698 248 HA LEU 32 HA LEU 32 -2.881 6.719 24.099 249 1HB LEU 32 1HB LEU 32 -3.022 4.850 25.964 250 2HB LEU 32 2HB LEU 32 -4.456 5.749 26.460 251 HG LEU 32 HG LEU 32 -4.048 4.967 23.578 252 1HD1 LEU 32 1HD1 LEU 32 -4.891 3.268 25.891 253 2HD1 LEU 32 2HD1 LEU 32 -5.737 3.065 24.358 254 3HD1 LEU 32 3HD1 LEU 32 -3.992 2.818 24.443 255 1HD2 LEU 32 1HD2 LEU 32 -6.326 5.827 25.348 256 2HD2 LEU 32 2HD2 LEU 32 -5.826 6.486 23.791 257 3HD2 LEU 32 3HD2 LEU 32 -6.645 4.926 23.867 258 H ASP 33 H ASP 33 -4.179 7.737 27.273 259 HA ASP 33 HA ASP 33 -6.415 9.187 26.340 260 1HB ASP 33 1HB ASP 33 -5.887 8.595 28.702 261 2HB ASP 33 2HB ASP 33 -4.571 9.770 28.686 262 H GLY 34 H GLY 34 -3.029 10.170 26.724 263 1HA GLY 34 1HA GLY 34 -1.934 12.147 26.042 264 2HA GLY 34 2HA GLY 34 -3.517 12.915 25.899 265 H ILE 35 H ILE 35 -2.576 9.901 24.345 266 HA ILE 35 HA ILE 35 -1.884 10.959 21.775 267 HB ILE 35 HB ILE 35 -2.627 8.363 23.030 268 1HG1 ILE 35 1HG1 ILE 35 -0.294 9.244 22.798 269 2HG1 ILE 35 2HG1 ILE 35 -0.523 7.671 22.035 270 1HG2 ILE 35 1HG2 ILE 35 -4.053 8.401 20.981 271 2HG2 ILE 35 2HG2 ILE 35 -2.608 8.697 20.014 272 3HG2 ILE 35 3HG2 ILE 35 -2.784 7.181 20.897 273 1HD1 ILE 35 1HD1 ILE 35 -1.125 9.200 19.926 274 2HD1 ILE 35 2HD1 ILE 35 -0.096 10.349 20.777 275 3HD1 ILE 35 3HD1 ILE 35 0.543 8.775 20.308 276 H MET 36 H MET 36 -4.973 9.987 23.228 277 HA MET 36 HA MET 36 -6.669 9.949 21.005 278 1HB MET 36 1HB MET 36 -6.870 10.704 23.881 279 2HB MET 36 2HB MET 36 -8.225 11.145 22.841 280 1HG MET 36 1HG MET 36 -8.456 8.824 22.104 281 2HG MET 36 2HG MET 36 -7.039 8.360 23.044 282 1HE MET 36 1HE MET 36 -10.363 9.142 22.565 283 2HE MET 36 2HE MET 36 -11.043 7.956 23.688 284 3HE MET 36 3HE MET 36 -11.122 9.676 24.062 285 H PHE 37 H PHE 37 -5.840 12.856 22.955 286 HA PHE 37 HA PHE 37 -7.253 14.795 21.560 287 1HB PHE 37 1HB PHE 37 -6.111 15.987 23.097 288 2HB PHE 37 2HB PHE 37 -5.061 14.604 23.385 289 HD1 PHE 37 HD1 PHE 37 -2.958 14.338 22.026 290 HD2 PHE 37 HD2 PHE 37 -5.357 17.891 21.878 291 HE1 PHE 37 HE1 PHE 37 -1.069 15.566 21.006 292 HE2 PHE 37 HE2 PHE 37 -3.466 19.122 20.852 293 HZ PHE 37 HZ PHE 37 -1.327 17.951 20.417 294 H ILE 38 H ILE 38 -3.983 13.585 20.672 295 HA ILE 38 HA ILE 38 -3.519 15.106 18.371 296 HB ILE 38 HB ILE 38 -2.968 12.196 19.017 297 1HG1 ILE 38 1HG1 ILE 38 -1.380 14.764 19.286 298 2HG1 ILE 38 2HG1 ILE 38 -1.931 13.707 20.587 299 1HG2 ILE 38 1HG2 ILE 38 -2.859 12.695 16.555 300 2HG2 ILE 38 2HG2 ILE 38 -1.644 13.925 16.906 301 3HG2 ILE 38 3HG2 ILE 38 -1.306 12.228 17.247 302 1HD1 ILE 38 1HD1 ILE 38 -0.417 12.172 18.672 303 2HD1 ILE 38 2HD1 ILE 38 0.526 13.570 19.186 304 3HD1 ILE 38 3HD1 ILE 38 -0.087 12.432 20.384 305 H ASN 39 H ASN 39 -5.543 12.215 18.744 306 HA ASN 39 HA ASN 39 -6.194 11.971 15.924 307 1HB ASN 39 1HB ASN 39 -7.433 10.947 18.498 308 2HB ASN 39 2HB ASN 39 -7.964 10.441 16.894 309 2HD2 ASN 39 2HD2 ASN 39 -6.360 9.064 19.234 310 1HD2 ASN 39 1HD2 ASN 39 -5.064 8.334 18.417 311 H LYS 40 H LYS 40 -7.455 13.807 18.625 312 HA LYS 40 HA LYS 40 -9.886 14.588 17.098 313 1HB LYS 40 1HB LYS 40 -8.873 14.817 19.926 314 2HB LYS 40 2HB LYS 40 -10.208 15.835 19.386 315 1HG LYS 40 1HG LYS 40 -11.532 13.900 18.794 316 2HG LYS 40 2HG LYS 40 -10.168 12.820 19.085 317 1HD LYS 40 1HD LYS 40 -10.230 13.947 21.491 318 2HD LYS 40 2HD LYS 40 -11.912 14.251 21.054 319 1HE LYS 40 1HE LYS 40 -12.100 11.781 20.471 320 2HE LYS 40 2HE LYS 40 -10.504 11.566 21.215 321 1HZ LYS 40 1HZ LYS 40 -12.661 13.041 22.603 322 2HZ LYS 40 2HZ LYS 40 -12.564 11.349 22.712 323 3HZ LYS 40 3HZ LYS 40 -11.280 12.308 23.268 324 H CYS 41 H CYS 41 -6.691 15.657 17.680 325 HA CYS 41 HA CYS 41 -6.978 18.490 17.762 326 1HB CYS 41 1HB CYS 41 -4.876 17.436 18.225 327 2HB CYS 41 2HB CYS 41 -4.884 16.590 16.681 328 H ALA 42 H ALA 42 -5.798 16.742 14.899 329 HA ALA 42 HA ALA 42 -6.446 18.740 13.005 330 1HB ALA 42 1HB ALA 42 -5.139 16.392 12.990 331 2HB ALA 42 2HB ALA 42 -5.710 17.145 11.501 332 3HB ALA 42 3HB ALA 42 -6.650 15.857 12.255 333 H THR 43 H THR 43 -8.440 16.172 14.379 334 HA THR 43 HA THR 43 -10.646 16.453 12.517 335 HB THR 43 HB THR 43 -10.638 15.406 15.365 336 HG1 THR 43 HG1 THR 43 -9.504 13.784 14.683 337 1HG2 THR 43 1HG2 THR 43 -12.675 15.638 13.490 338 2HG2 THR 43 2HG2 THR 43 -12.138 13.967 13.314 339 3HG2 THR 43 3HG2 THR 43 -12.673 14.561 14.886 340 H CYS 44 H CYS 44 -10.285 17.419 15.956 341 HA CYS 44 HA CYS 44 -12.637 18.903 16.265 342 1HB CYS 44 1HB CYS 44 -9.819 19.205 17.317 343 2HB CYS 44 2HB CYS 44 -11.118 20.261 17.869 344 H LYS 45 H LYS 45 -9.790 19.662 14.398 345 HA LYS 45 HA LYS 45 -10.184 22.513 14.166 346 1HB LYS 45 1HB LYS 45 -8.060 21.396 13.709 347 2HB LYS 45 2HB LYS 45 -8.805 20.443 12.426 348 1HG LYS 45 1HG LYS 45 -9.465 22.864 11.517 349 2HG LYS 45 2HG LYS 45 -8.044 23.334 12.448 350 1HD LYS 45 1HD LYS 45 -6.834 21.401 11.252 351 2HD LYS 45 2HD LYS 45 -8.209 21.383 10.147 352 1HE LYS 45 1HE LYS 45 -7.807 23.726 9.550 353 2HE LYS 45 2HE LYS 45 -6.488 23.823 10.733 354 1HZ LYS 45 1HZ LYS 45 -6.472 21.635 8.772 355 2HZ LYS 45 2HZ LYS 45 -6.012 23.183 8.243 356 3HZ LYS 45 3HZ LYS 45 -5.166 22.428 9.509 357 H MET 46 H MET 46 -10.960 19.802 11.934 358 HA MET 46 HA MET 46 -12.283 21.366 9.958 359 1HB MET 46 1HB MET 46 -13.272 19.180 9.324 360 2HB MET 46 2HB MET 46 -11.555 19.025 9.689 361 1HG MET 46 1HG MET 46 -11.938 17.724 11.513 362 2HG MET 46 2HG MET 46 -13.330 18.679 12.019 363 1HE MET 46 1HE MET 46 -12.046 16.649 9.085 364 2HE MET 46 2HE MET 46 -13.458 15.815 8.441 365 3HE MET 46 3HE MET 46 -13.311 17.570 8.277 366 H ILE 47 H ILE 47 -13.335 20.228 13.096 367 HA ILE 47 HA ILE 47 -16.156 20.377 12.814 368 HB ILE 47 HB ILE 47 -14.400 21.150 15.171 369 1HG1 ILE 47 1HG1 ILE 47 -13.715 18.974 14.433 370 2HG1 ILE 47 2HG1 ILE 47 -14.799 18.713 15.799 371 1HG2 ILE 47 1HG2 ILE 47 -17.285 20.275 14.911 372 2HG2 ILE 47 2HG2 ILE 47 -16.408 20.220 16.440 373 3HG2 ILE 47 3HG2 ILE 47 -16.669 21.763 15.628 374 1HD1 ILE 47 1HD1 ILE 47 -16.563 18.775 13.693 375 2HD1 ILE 47 2HD1 ILE 47 -15.152 18.011 12.957 376 3HD1 ILE 47 3HD1 ILE 47 -15.892 17.300 14.392 377 H LEU 48 H LEU 48 -13.741 22.908 13.460 378 HA LEU 48 HA LEU 48 -15.643 25.048 13.864 379 1HB LEU 48 1HB LEU 48 -12.710 24.834 13.153 380 2HB LEU 48 2HB LEU 48 -13.504 26.399 13.328 381 HG LEU 48 HG LEU 48 -12.518 25.842 15.461 382 1HD1 LEU 48 1HD1 LEU 48 -15.203 26.395 15.101 383 2HD1 LEU 48 2HD1 LEU 48 -15.238 25.003 16.185 384 3HD1 LEU 48 3HD1 LEU 48 -14.351 26.457 16.645 385 1HD2 LEU 48 1HD2 LEU 48 -12.441 23.350 14.915 386 2HD2 LEU 48 2HD2 LEU 48 -12.859 23.754 16.579 387 3HD2 LEU 48 3HD2 LEU 48 -14.121 23.276 15.444 388 H GLU 49 H GLU 49 -13.802 23.866 11.046 389 HA GLU 49 HA GLU 49 -14.919 25.888 9.245 390 1HB GLU 49 1HB GLU 49 -13.436 23.284 8.745 391 2HB GLU 49 2HB GLU 49 -13.664 24.579 7.570 392 1HG GLU 49 1HG GLU 49 -12.448 25.288 10.207 393 2HG GLU 49 2HG GLU 49 -11.445 24.419 9.046 394 H LYS 50 H LYS 50 -15.912 22.836 10.489 395 HA LYS 50 HA LYS 50 -17.522 21.880 8.305 396 1HB LYS 50 1HB LYS 50 -16.735 20.568 10.267 397 2HB LYS 50 2HB LYS 50 -17.788 21.523 11.310 398 1HG LYS 50 1HG LYS 50 -18.909 20.078 8.915 399 2HG LYS 50 2HG LYS 50 -18.658 19.227 10.440 400 1HD LYS 50 1HD LYS 50 -19.924 21.301 11.464 401 2HD LYS 50 2HD LYS 50 -20.531 21.490 9.819 402 1HE LYS 50 1HE LYS 50 -21.490 19.266 9.841 403 2HE LYS 50 2HE LYS 50 -20.700 18.889 11.384 404 1HZ LYS 50 1HZ LYS 50 -22.344 21.314 11.211 405 2HZ LYS 50 2HZ LYS 50 -23.149 19.821 11.307 406 3HZ LYS 50 3HZ LYS 50 -22.073 20.290 12.535 407 H GLU 51 H GLU 51 -18.193 24.036 11.059 408 HA GLU 51 HA GLU 51 -21.030 24.254 10.632 409 1HB GLU 51 1HB GLU 51 -19.817 24.838 12.712 410 2HB GLU 51 2HB GLU 51 -19.019 26.165 11.867 411 1HG GLU 51 1HG GLU 51 -21.177 27.243 11.456 412 2HG GLU 51 2HG GLU 51 -22.021 25.888 12.204 413 H ALA 52 H ALA 52 -18.243 25.879 9.225 414 HA ALA 52 HA ALA 52 -19.805 28.012 7.970 415 1HB ALA 52 1HB ALA 52 -17.559 28.519 8.506 416 2HB ALA 52 2HB ALA 52 -16.972 26.980 7.875 417 3HB ALA 52 3HB ALA 52 -17.507 28.242 6.764 418 H LYS 53 H LYS 53 -18.731 24.782 7.112 419 HA LYS 53 HA LYS 53 -19.088 25.043 4.246 420 1HB LYS 53 1HB LYS 53 -17.666 23.346 5.298 421 2HB LYS 53 2HB LYS 53 -19.061 22.669 6.138 422 1HG LYS 53 1HG LYS 53 -20.096 22.077 3.995 423 2HG LYS 53 2HG LYS 53 -18.751 22.814 3.123 424 1HD LYS 53 1HD LYS 53 -17.194 21.191 4.056 425 2HD LYS 53 2HD LYS 53 -18.463 20.511 5.076 426 1HE LYS 53 1HE LYS 53 -19.689 19.729 3.121 427 2HE LYS 53 2HE LYS 53 -18.543 20.541 2.036 428 1HZ LYS 53 1HZ LYS 53 -16.766 19.224 3.209 429 2HZ LYS 53 2HZ LYS 53 -18.006 18.307 3.922 430 3HZ LYS 53 3HZ LYS 53 -17.808 18.308 2.234 431 H SER 54 H SER 54 -21.213 24.289 6.948 432 HA SER 54 HA SER 54 -23.371 23.162 5.368 433 1HB SER 54 1HB SER 54 -24.593 23.397 7.485 434 2HB SER 54 2HB SER 54 -22.964 22.800 7.803 435 HG SER 54 HG SER 54 -22.483 25.178 8.008 436 H GLN 55 H GLN 55 -22.232 26.370 5.900 437 HA GLN 55 HA GLN 55 -24.859 27.615 5.297 438 1HB GLN 55 1HB GLN 55 -22.097 28.725 5.896 439 2HB GLN 55 2HB GLN 55 -23.562 29.695 5.744 440 1HG GLN 55 1HG GLN 55 -23.054 27.514 7.791 441 2HG GLN 55 2HG GLN 55 -23.130 29.248 8.108 442 2HE2 GLN 55 2HE2 GLN 55 -25.185 30.116 8.550 443 1HE2 GLN 55 1HE2 GLN 55 -26.644 29.276 8.337 No H/Q in entry = 443 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -31.388 19.911 18.607 2 H2 LYS 1 H2 LYS 1 -32.656 18.960 17.995 3 H3 LYS 1 H3 LYS 1 -31.869 18.503 19.428 4 HA LYS 1 HA LYS 1 -30.916 17.088 17.862 5 1HB LYS 1 1HB LYS 1 -30.542 17.797 15.595 6 2HB LYS 1 2HB LYS 1 -32.115 18.441 16.062 7 1HG LYS 1 1HG LYS 1 -31.026 20.606 16.635 8 2HG LYS 1 2HG LYS 1 -29.485 19.953 16.077 9 1HD LYS 1 1HD LYS 1 -31.959 20.079 14.334 10 2HD LYS 1 2HD LYS 1 -30.734 21.348 14.364 11 1HE LYS 1 1HE LYS 1 -29.012 19.748 13.655 12 2HE LYS 1 2HE LYS 1 -30.197 18.428 13.703 13 1HZ LYS 1 1HZ LYS 1 -31.537 20.160 12.245 14 2HZ LYS 1 2HZ LYS 1 -29.971 20.668 11.829 15 3HZ LYS 1 3HZ LYS 1 -30.452 19.065 11.541 16 H ASN 2 H ASN 2 -28.586 17.668 16.455 17 HA ASN 2 HA ASN 2 -26.821 18.627 18.643 18 1HB ASN 2 1HB ASN 2 -26.368 17.200 16.003 19 2HB ASN 2 2HB ASN 2 -25.081 17.591 17.144 20 2HD2 ASN 2 2HD2 ASN 2 -26.499 17.044 19.591 21 1HD2 ASN 2 1HD2 ASN 2 -26.809 15.377 19.660 22 H GLU 3 H GLU 3 -25.451 20.422 18.395 23 HA GLU 3 HA GLU 3 -26.221 22.428 16.425 24 1HB GLU 3 1HB GLU 3 -24.146 22.170 18.609 25 2HB GLU 3 2HB GLU 3 -24.241 23.607 17.590 26 1HG GLU 3 1HG GLU 3 -26.613 23.900 18.246 27 2HG GLU 3 2HG GLU 3 -26.489 22.483 19.291 28 H ASP 4 H ASP 4 -23.880 19.880 16.534 29 HA ASP 4 HA ASP 4 -22.053 19.355 15.113 30 1HB ASP 4 1HB ASP 4 -24.157 20.705 13.424 31 2HB ASP 4 2HB ASP 4 -22.692 20.049 12.696 32 H GLN 5 H GLN 5 -22.093 22.090 16.490 33 HA GLN 5 HA GLN 5 -20.179 23.470 14.628 34 1HB GLN 5 1HB GLN 5 -22.430 24.407 16.373 35 2HB GLN 5 2HB GLN 5 -21.057 25.487 16.129 36 1HG GLN 5 1HG GLN 5 -21.338 25.359 13.706 37 2HG GLN 5 2HG GLN 5 -22.636 24.179 13.894 38 2HE2 GLN 5 2HE2 GLN 5 -24.718 24.954 14.689 39 1HE2 GLN 5 1HE2 GLN 5 -25.083 26.611 14.754 40 H GLU 6 H GLU 6 -20.688 22.008 17.667 41 HA GLU 6 HA GLU 6 -17.976 22.847 18.569 42 1HB GLU 6 1HB GLU 6 -18.935 23.324 20.816 43 2HB GLU 6 2HB GLU 6 -19.633 24.375 19.584 44 1HG GLU 6 1HG GLU 6 -21.634 23.047 19.472 45 2HG GLU 6 2HG GLU 6 -20.914 21.773 20.457 46 H MET 7 H MET 7 -19.389 20.377 17.496 47 HA MET 7 HA MET 7 -20.023 18.379 19.256 48 1HB MET 7 1HB MET 7 -18.125 18.333 16.892 49 2HB MET 7 2HB MET 7 -18.804 16.879 17.625 50 1HG MET 7 1HG MET 7 -21.053 17.575 17.086 51 2HG MET 7 2HG MET 7 -20.490 19.164 16.567 52 1HE MET 7 1HE MET 7 -19.776 15.598 16.421 53 2HE MET 7 2HE MET 7 -19.870 15.090 14.738 54 3HE MET 7 3HE MET 7 -18.364 15.760 15.380 55 H CYS 8 H CYS 8 -16.686 19.445 18.518 56 HA CYS 8 HA CYS 8 -15.577 17.660 20.591 57 1HB CYS 8 1HB CYS 8 -14.505 18.073 18.377 58 2HB CYS 8 2HB CYS 8 -14.306 19.770 18.816 59 H HIS 9 H HIS 9 -15.365 18.322 22.688 60 HA HIS 9 HA HIS 9 -15.474 21.258 23.272 61 1HB HIS 9 1HB HIS 9 -16.288 20.485 25.482 62 2HB HIS 9 2HB HIS 9 -17.272 19.821 24.178 63 HD1 HIS 9 HD1 HIS 9 -14.488 18.838 26.555 64 HD2 HIS 9 HD2 HIS 9 -17.225 17.026 23.985 65 HE1 HIS 9 HE1 HIS 9 -14.323 16.345 26.974 66 H GLU 10 H GLU 10 -13.439 18.486 23.335 67 HA GLU 10 HA GLU 10 -11.755 19.114 25.575 68 1HB GLU 10 1HB GLU 10 -11.806 16.930 24.506 69 2HB GLU 10 2HB GLU 10 -11.304 17.630 22.968 70 1HG GLU 10 1HG GLU 10 -9.381 16.595 24.092 71 2HG GLU 10 2HG GLU 10 -9.168 18.344 24.012 72 H PHE 11 H PHE 11 -11.535 19.949 22.106 73 HA PHE 11 HA PHE 11 -9.131 21.602 22.604 74 1HB PHE 11 1HB PHE 11 -10.742 20.717 20.208 75 2HB PHE 11 2HB PHE 11 -9.448 21.904 20.059 76 HD1 PHE 11 HD1 PHE 11 -10.182 18.459 21.312 77 HD2 PHE 11 HD2 PHE 11 -7.191 21.224 19.948 78 HE1 PHE 11 HE1 PHE 11 -8.503 16.636 21.296 79 HE2 PHE 11 HE2 PHE 11 -5.513 19.401 19.937 80 HZ PHE 11 HZ PHE 11 -6.168 17.110 20.611 81 H GLN 12 H GLN 12 -12.552 21.989 22.462 82 HA GLN 12 HA GLN 12 -13.014 24.490 21.342 83 1HB GLN 12 1HB GLN 12 -14.640 22.927 22.453 84 2HB GLN 12 2HB GLN 12 -14.051 23.495 24.015 85 1HG GLN 12 1HG GLN 12 -14.812 25.730 23.582 86 2HG GLN 12 2HG GLN 12 -15.138 25.359 21.890 87 2HE2 GLN 12 2HE2 GLN 12 -16.776 25.920 24.671 88 1HE2 GLN 12 1HE2 GLN 12 -18.114 24.897 24.453 89 H ALA 13 H ALA 13 -11.213 23.747 24.257 90 HA ALA 13 HA ALA 13 -11.206 26.489 25.283 91 1HB ALA 13 1HB ALA 13 -10.045 25.521 27.057 92 2HB ALA 13 2HB ALA 13 -9.208 24.372 26.014 93 3HB ALA 13 3HB ALA 13 -10.905 24.116 26.423 94 H PHE 14 H PHE 14 -9.340 24.664 22.978 95 HA PHE 14 HA PHE 14 -6.997 26.444 23.138 96 1HB PHE 14 1HB PHE 14 -7.708 24.279 21.139 97 2HB PHE 14 2HB PHE 14 -6.104 24.908 21.499 98 HD1 PHE 14 HD1 PHE 14 -6.869 25.119 24.595 99 HD2 PHE 14 HD2 PHE 14 -6.927 21.980 21.667 100 HE1 PHE 14 HE1 PHE 14 -6.615 23.433 26.397 101 HE2 PHE 14 HE2 PHE 14 -6.674 20.293 23.467 102 HZ PHE 14 HZ PHE 14 -6.519 21.020 25.833 103 H MET 15 H MET 15 -9.876 27.235 22.199 104 HA MET 15 HA MET 15 -9.478 27.995 19.395 105 1HB MET 15 1HB MET 15 -11.566 28.393 21.534 106 2HB MET 15 2HB MET 15 -11.688 29.240 19.991 107 1HG MET 15 1HG MET 15 -11.271 26.866 18.965 108 2HG MET 15 2HG MET 15 -11.796 26.291 20.544 109 1HE MET 15 1HE MET 15 -13.831 26.960 21.715 110 2HE MET 15 2HE MET 15 -13.905 28.683 21.357 111 3HE MET 15 3HE MET 15 -15.297 27.660 21.016 112 H LYS 16 H LYS 16 -9.022 30.074 18.649 113 HA LYS 16 HA LYS 16 -8.363 32.148 20.719 114 1HB LYS 16 1HB LYS 16 -6.476 30.809 19.483 115 2HB LYS 16 2HB LYS 16 -6.892 31.832 18.107 116 1HG LYS 16 1HG LYS 16 -6.750 33.595 20.280 117 2HG LYS 16 2HG LYS 16 -5.386 32.500 20.506 118 1HD LYS 16 1HD LYS 16 -4.580 32.955 18.260 119 2HD LYS 16 2HD LYS 16 -6.011 33.921 17.902 120 1HE LYS 16 1HE LYS 16 -5.281 35.718 19.187 121 2HE LYS 16 2HE LYS 16 -4.341 34.683 20.280 122 1HZ LYS 16 1HZ LYS 16 -3.601 34.658 17.455 123 2HZ LYS 16 2HZ LYS 16 -3.217 36.069 18.321 124 3HZ LYS 16 3HZ LYS 16 -2.612 34.570 18.834 125 H ASN 17 H ASN 17 -10.404 33.210 20.316 126 HA ASN 17 HA ASN 17 -11.837 34.709 19.184 127 1HB ASN 17 1HB ASN 17 -9.223 35.097 17.688 128 2HB ASN 17 2HB ASN 17 -10.603 36.189 17.578 129 2HD2 ASN 17 2HD2 ASN 17 -7.685 35.980 19.070 130 1HD2 ASN 17 1HD2 ASN 17 -8.027 36.795 20.519 131 H GLY 18 H GLY 18 -12.187 32.096 18.395 132 1HA GLY 18 1HA GLY 18 -13.100 32.434 15.633 133 2HA GLY 18 2HA GLY 18 -13.373 31.017 16.648 134 H LYS 19 H LYS 19 -10.234 31.397 17.110 135 HA LYS 19 HA LYS 19 -9.455 29.884 14.635 136 1HB LYS 19 1HB LYS 19 -8.587 32.282 15.094 137 2HB LYS 19 2HB LYS 19 -7.624 31.541 16.372 138 1HG LYS 19 1HG LYS 19 -7.599 30.487 13.540 139 2HG LYS 19 2HG LYS 19 -6.505 31.766 14.066 140 1HD LYS 19 1HD LYS 19 -5.743 30.253 15.926 141 2HD LYS 19 2HD LYS 19 -6.720 28.968 15.217 142 1HE LYS 19 1HE LYS 19 -5.362 28.832 13.290 143 2HE LYS 19 2HE LYS 19 -4.681 30.449 13.549 144 1HZ LYS 19 1HZ LYS 19 -4.352 28.224 15.487 145 2HZ LYS 19 2HZ LYS 19 -3.222 28.537 14.256 146 3HZ LYS 19 3HZ LYS 19 -3.521 29.702 15.456 147 H LEU 20 H LEU 20 -9.413 27.759 15.337 148 HA LEU 20 HA LEU 20 -8.479 27.064 18.046 149 1HB LEU 20 1HB LEU 20 -10.311 25.803 17.273 150 2HB LEU 20 2HB LEU 20 -9.651 25.670 15.645 151 HG LEU 20 HG LEU 20 -7.797 24.242 16.619 152 1HD1 LEU 20 1HD1 LEU 20 -9.497 24.701 19.047 153 2HD1 LEU 20 2HD1 LEU 20 -8.664 23.157 18.865 154 3HD1 LEU 20 3HD1 LEU 20 -7.739 24.659 18.909 155 1HD2 LEU 20 1HD2 LEU 20 -10.491 23.600 15.986 156 2HD2 LEU 20 2HD2 LEU 20 -9.079 22.550 15.880 157 3HD2 LEU 20 3HD2 LEU 20 -10.032 22.600 17.363 158 H PHE 21 H PHE 21 -6.285 26.902 18.396 159 HA PHE 21 HA PHE 21 -4.510 26.268 16.094 160 1HB PHE 21 1HB PHE 21 -2.745 26.811 17.926 161 2HB PHE 21 2HB PHE 21 -3.733 28.130 17.309 162 HD1 PHE 21 HD1 PHE 21 -3.173 25.851 20.168 163 HD2 PHE 21 HD2 PHE 21 -5.411 29.203 18.682 164 HE1 PHE 21 HE1 PHE 21 -3.970 26.337 22.464 165 HE2 PHE 21 HE2 PHE 21 -6.208 29.689 20.978 166 HZ PHE 21 HZ PHE 21 -5.487 28.256 22.870 167 H CYS 22 H CYS 22 -5.112 24.008 15.956 168 HA CYS 22 HA CYS 22 -5.097 22.095 18.002 169 1HB CYS 22 1HB CYS 22 -5.872 21.394 15.926 170 2HB CYS 22 2HB CYS 22 -4.532 22.129 15.056 171 HA PRO 23 HA PRO 23 -0.343 21.454 17.187 172 1HB PRO 23 1HB PRO 23 0.706 24.025 16.438 173 2HB PRO 23 2HB PRO 23 0.742 22.522 15.514 174 1HG PRO 23 1HG PRO 23 -0.833 24.858 15.000 175 2HG PRO 23 2HG PRO 23 -0.829 23.338 14.102 176 1HD PRO 23 1HD PRO 23 -2.874 24.368 15.867 177 2HD PRO 23 2HD PRO 23 -2.901 22.866 14.915 178 H GLN 24 H GLN 24 -0.921 21.548 19.529 179 HA GLN 24 HA GLN 24 0.021 24.049 20.886 180 1HB GLN 24 1HB GLN 24 -2.257 23.567 21.415 181 2HB GLN 24 2HB GLN 24 -1.922 21.846 21.605 182 1HG GLN 24 1HG GLN 24 -0.504 22.354 23.576 183 2HG GLN 24 2HG GLN 24 -0.888 24.065 23.397 184 2HE2 GLN 24 2HE2 GLN 24 -2.590 20.894 23.726 185 1HE2 GLN 24 1HE2 GLN 24 -3.865 21.512 24.662 186 H ASP 25 H ASP 25 -0.328 20.760 22.150 187 HA ASP 25 HA ASP 25 2.629 20.515 22.430 188 1HB ASP 25 1HB ASP 25 1.706 21.676 24.428 189 2HB ASP 25 2HB ASP 25 0.611 20.318 24.692 190 H LYS 26 H LYS 26 1.672 18.921 20.647 191 HA LYS 26 HA LYS 26 0.139 16.643 21.300 192 1HB LYS 26 1HB LYS 26 2.291 17.323 19.321 193 2HB LYS 26 2HB LYS 26 1.671 15.674 19.390 194 1HG LYS 26 1HG LYS 26 -0.553 16.385 18.894 195 2HG LYS 26 2HG LYS 26 -0.155 18.077 19.189 196 1HD LYS 26 1HD LYS 26 -0.044 18.049 16.877 197 2HD LYS 26 2HD LYS 26 1.624 17.621 17.257 198 1HE LYS 26 1HE LYS 26 1.066 15.221 17.033 199 2HE LYS 26 2HE LYS 26 -0.613 15.650 16.653 200 1HZ LYS 26 1HZ LYS 26 1.577 16.948 15.177 201 2HZ LYS 26 2HZ LYS 26 1.130 15.370 14.742 202 3HZ LYS 26 3HZ LYS 26 -0.014 16.624 14.676 203 H LYS 27 H LYS 27 3.295 17.476 22.397 204 HA LYS 27 HA LYS 27 4.754 15.159 22.673 205 1HB LYS 27 1HB LYS 27 4.102 17.365 24.637 206 2HB LYS 27 2HB LYS 27 5.335 16.152 24.967 207 1HG LYS 27 1HG LYS 27 6.529 16.784 22.913 208 2HG LYS 27 2HG LYS 27 5.281 17.974 22.542 209 1HD LYS 27 1HD LYS 27 5.801 19.123 24.702 210 2HD LYS 27 2HD LYS 27 7.120 17.980 24.956 211 1HE LYS 27 1HE LYS 27 8.178 18.739 22.841 212 2HE LYS 27 2HE LYS 27 6.862 19.907 22.616 213 1HZ LYS 27 1HZ LYS 27 8.570 19.742 25.047 214 2HZ LYS 27 2HZ LYS 27 8.822 20.850 23.785 215 3HZ LYS 27 3HZ LYS 27 7.400 20.925 24.706 216 H PHE 28 H PHE 28 1.670 15.867 24.208 217 HA PHE 28 HA PHE 28 1.649 14.005 26.330 218 1HB PHE 28 1HB PHE 28 -0.609 14.701 24.425 219 2HB PHE 28 2HB PHE 28 -0.768 14.182 26.103 220 HD1 PHE 28 HD1 PHE 28 1.261 15.693 27.523 221 HD2 PHE 28 HD2 PHE 28 -1.286 16.939 24.296 222 HE1 PHE 28 HE1 PHE 28 1.461 18.050 28.272 223 HE2 PHE 28 HE2 PHE 28 -1.087 19.293 25.045 224 HZ PHE 28 HZ PHE 28 0.287 19.849 27.034 225 H PHE 29 H PHE 29 1.753 13.423 22.923 226 HA PHE 29 HA PHE 29 0.404 11.076 22.419 227 1HB PHE 29 1HB PHE 29 1.983 12.360 20.930 228 2HB PHE 29 2HB PHE 29 3.324 11.579 21.766 229 HD1 PHE 29 HD1 PHE 29 3.078 8.919 21.970 230 HD2 PHE 29 HD2 PHE 29 1.173 11.358 18.991 231 HE1 PHE 29 HE1 PHE 29 2.829 6.934 20.504 232 HE2 PHE 29 HE2 PHE 29 0.925 9.372 17.525 233 HZ PHE 29 HZ PHE 29 1.753 7.161 18.282 234 H GLN 30 H GLN 30 3.128 11.478 24.591 235 HA GLN 30 HA GLN 30 3.902 8.726 24.832 236 1HB GLN 30 1HB GLN 30 5.167 9.553 26.693 237 2HB GLN 30 2HB GLN 30 5.099 10.877 25.529 238 1HG GLN 30 1HG GLN 30 3.159 11.827 26.768 239 2HG GLN 30 2HG GLN 30 3.318 10.539 27.961 240 2HE2 GLN 30 2HE2 GLN 30 4.057 13.712 27.599 241 1HE2 GLN 30 1HE2 GLN 30 5.495 13.795 28.499 242 H SER 31 H SER 31 0.997 10.217 25.709 243 HA SER 31 HA SER 31 0.430 8.032 27.681 244 1HB SER 31 1HB SER 31 -0.848 9.718 28.969 245 2HB SER 31 2HB SER 31 0.838 10.204 28.795 246 HG SER 31 HG SER 31 0.278 11.668 27.279 247 H LEU 32 H LEU 32 -1.810 7.327 27.667 248 HA LEU 32 HA LEU 32 -3.079 7.085 25.176 249 1HB LEU 32 1HB LEU 32 -3.438 5.963 27.517 250 2HB LEU 32 2HB LEU 32 -4.623 7.248 27.751 251 HG LEU 32 HG LEU 32 -4.662 5.619 25.223 252 1HD1 LEU 32 1HD1 LEU 32 -5.479 4.772 27.973 253 2HD1 LEU 32 2HD1 LEU 32 -6.524 4.328 26.624 254 3HD1 LEU 32 3HD1 LEU 32 -4.841 3.803 26.646 255 1HD2 LEU 32 1HD2 LEU 32 -6.550 7.335 26.814 256 2HD2 LEU 32 2HD2 LEU 32 -6.165 7.406 25.093 257 3HD2 LEU 32 3HD2 LEU 32 -7.193 6.116 25.715 258 H ASP 33 H ASP 33 -3.880 9.398 27.781 259 HA ASP 33 HA ASP 33 -5.962 10.795 26.486 260 1HB ASP 33 1HB ASP 33 -3.762 11.701 28.373 261 2HB ASP 33 2HB ASP 33 -5.177 12.680 27.986 262 H GLY 34 H GLY 34 -2.450 11.126 26.205 263 1HA GLY 34 1HA GLY 34 -1.151 12.395 24.706 264 2HA GLY 34 2HA GLY 34 -2.547 13.443 24.472 265 H ILE 35 H ILE 35 -2.038 9.964 23.906 266 HA ILE 35 HA ILE 35 -1.900 10.014 21.084 267 HB ILE 35 HB ILE 35 -2.721 8.079 23.220 268 1HG1 ILE 35 1HG1 ILE 35 -0.358 8.397 22.683 269 2HG1 ILE 35 2HG1 ILE 35 -0.863 6.787 22.167 270 1HG2 ILE 35 1HG2 ILE 35 -3.368 7.825 20.296 271 2HG2 ILE 35 2HG2 ILE 35 -2.897 6.387 21.203 272 3HG2 ILE 35 3HG2 ILE 35 -4.315 7.315 21.694 273 1HD1 ILE 35 1HD1 ILE 35 -1.409 8.563 20.013 274 2HD1 ILE 35 2HD1 ILE 35 0.228 8.913 20.571 275 3HD1 ILE 35 3HD1 ILE 35 -0.201 7.277 20.072 276 H MET 36 H MET 36 -4.678 10.181 23.262 277 HA MET 36 HA MET 36 -6.659 9.900 21.129 278 1HB MET 36 1HB MET 36 -6.565 10.477 24.057 279 2HB MET 36 2HB MET 36 -8.020 10.950 23.179 280 1HG MET 36 1HG MET 36 -6.788 8.175 23.170 281 2HG MET 36 2HG MET 36 -8.222 8.651 24.081 282 1HE MET 36 1HE MET 36 -10.316 8.618 23.470 283 2HE MET 36 2HE MET 36 -10.328 10.084 22.492 284 3HE MET 36 3HE MET 36 -11.063 8.610 21.866 285 H PHE 37 H PHE 37 -5.974 12.659 23.329 286 HA PHE 37 HA PHE 37 -7.355 14.647 21.960 287 1HB PHE 37 1HB PHE 37 -6.413 15.770 23.683 288 2HB PHE 37 2HB PHE 37 -5.346 14.400 23.977 289 HD1 PHE 37 HD1 PHE 37 -3.097 14.315 22.936 290 HD2 PHE 37 HD2 PHE 37 -5.631 17.754 22.557 291 HE1 PHE 37 HE1 PHE 37 -1.154 15.658 22.198 292 HE2 PHE 37 HE2 PHE 37 -3.687 19.103 21.812 293 HZ PHE 37 HZ PHE 37 -1.450 18.047 21.631 294 H ILE 38 H ILE 38 -3.960 13.642 21.341 295 HA ILE 38 HA ILE 38 -3.359 15.346 19.194 296 HB ILE 38 HB ILE 38 -2.669 12.462 19.809 297 1HG1 ILE 38 1HG1 ILE 38 -1.305 15.139 20.183 298 2HG1 ILE 38 2HG1 ILE 38 -1.766 13.975 21.425 299 1HG2 ILE 38 1HG2 ILE 38 -2.472 12.974 17.348 300 2HG2 ILE 38 2HG2 ILE 38 -1.330 14.254 17.762 301 3HG2 ILE 38 3HG2 ILE 38 -0.938 12.572 18.120 302 1HD1 ILE 38 1HD1 ILE 38 -0.153 12.447 19.815 303 2HD1 ILE 38 2HD1 ILE 38 0.620 14.028 19.695 304 3HD1 ILE 38 3HD1 ILE 38 0.391 13.276 21.274 305 H ASN 39 H ASN 39 -5.204 12.310 19.206 306 HA ASN 39 HA ASN 39 -5.551 12.168 16.335 307 1HB ASN 39 1HB ASN 39 -6.844 10.959 18.777 308 2HB ASN 39 2HB ASN 39 -7.491 10.632 17.170 309 2HD2 ASN 39 2HD2 ASN 39 -5.948 8.847 19.149 310 1HD2 ASN 39 1HD2 ASN 39 -4.667 8.222 18.228 311 H LYS 40 H LYS 40 -7.369 13.646 18.982 312 HA LYS 40 HA LYS 40 -9.627 14.403 17.267 313 1HB LYS 40 1HB LYS 40 -8.750 15.023 20.101 314 2HB LYS 40 2HB LYS 40 -10.247 15.643 19.405 315 1HG LYS 40 1HG LYS 40 -11.043 13.370 18.997 316 2HG LYS 40 2HG LYS 40 -9.514 12.704 19.569 317 1HD LYS 40 1HD LYS 40 -10.614 12.563 21.565 318 2HD LYS 40 2HD LYS 40 -10.200 14.274 21.689 319 1HE LYS 40 1HE LYS 40 -12.370 14.920 20.789 320 2HE LYS 40 2HE LYS 40 -12.779 13.226 20.464 321 1HZ LYS 40 1HZ LYS 40 -11.959 14.140 23.159 322 2HZ LYS 40 2HZ LYS 40 -13.579 14.223 22.664 323 3HZ LYS 40 3HZ LYS 40 -12.789 12.720 22.734 324 H CYS 41 H CYS 41 -6.548 15.753 18.152 325 HA CYS 41 HA CYS 41 -6.909 18.517 18.025 326 1HB CYS 41 1HB CYS 41 -4.813 16.903 18.212 327 2HB CYS 41 2HB CYS 41 -4.693 17.209 16.479 328 H ALA 42 H ALA 42 -5.980 16.566 15.162 329 HA ALA 42 HA ALA 42 -6.696 18.607 13.267 330 1HB ALA 42 1HB ALA 42 -6.010 15.690 13.267 331 2HB ALA 42 2HB ALA 42 -5.179 17.031 12.478 332 3HB ALA 42 3HB ALA 42 -6.671 16.390 11.790 333 H THR 43 H THR 43 -8.468 15.907 14.710 334 HA THR 43 HA THR 43 -10.715 15.908 12.920 335 HB THR 43 HB THR 43 -10.581 15.203 15.867 336 HG1 THR 43 HG1 THR 43 -9.987 13.141 15.062 337 1HG2 THR 43 1HG2 THR 43 -12.596 14.941 13.787 338 2HG2 THR 43 2HG2 THR 43 -12.153 13.372 14.456 339 3HG2 THR 43 3HG2 THR 43 -12.737 14.651 15.521 340 H CYS 44 H CYS 44 -10.466 17.272 16.235 341 HA CYS 44 HA CYS 44 -12.921 18.671 16.245 342 1HB CYS 44 1HB CYS 44 -10.245 19.343 17.514 343 2HB CYS 44 2HB CYS 44 -11.796 20.010 18.022 344 H LYS 45 H LYS 45 -9.771 19.608 14.914 345 HA LYS 45 HA LYS 45 -10.254 22.359 14.424 346 1HB LYS 45 1HB LYS 45 -8.078 21.284 14.212 347 2HB LYS 45 2HB LYS 45 -8.675 20.257 12.908 348 1HG LYS 45 1HG LYS 45 -9.300 22.665 11.873 349 2HG LYS 45 2HG LYS 45 -7.917 23.138 12.860 350 1HD LYS 45 1HD LYS 45 -6.597 21.289 11.796 351 2HD LYS 45 2HD LYS 45 -7.968 20.979 10.730 352 1HE LYS 45 1HE LYS 45 -7.752 23.102 9.662 353 2HE LYS 45 2HE LYS 45 -6.692 23.720 10.942 354 1HZ LYS 45 1HZ LYS 45 -5.083 21.985 10.364 355 2HZ LYS 45 2HZ LYS 45 -6.087 21.459 9.102 356 3HZ LYS 45 3HZ LYS 45 -5.384 23.005 9.038 357 H MET 46 H MET 46 -10.777 19.579 12.206 358 HA MET 46 HA MET 46 -11.892 21.059 10.055 359 1HB MET 46 1HB MET 46 -12.647 18.885 9.302 360 2HB MET 46 2HB MET 46 -11.095 18.667 10.106 361 1HG MET 46 1HG MET 46 -12.018 17.275 11.610 362 2HG MET 46 2HG MET 46 -13.226 18.482 12.042 363 1HE MET 46 1HE MET 46 -15.312 18.973 10.782 364 2HE MET 46 2HE MET 46 -14.616 18.980 9.164 365 3HE MET 46 3HE MET 46 -16.038 17.995 9.499 366 H ILE 47 H ILE 47 -13.278 20.099 13.108 367 HA ILE 47 HA ILE 47 -16.054 20.159 12.474 368 HB ILE 47 HB ILE 47 -14.624 21.063 14.996 369 1HG1 ILE 47 1HG1 ILE 47 -13.793 18.883 14.428 370 2HG1 ILE 47 2HG1 ILE 47 -15.026 18.641 15.666 371 1HG2 ILE 47 1HG2 ILE 47 -17.120 21.521 14.753 372 2HG2 ILE 47 2HG2 ILE 47 -17.346 19.773 14.698 373 3HG2 ILE 47 3HG2 ILE 47 -16.662 20.529 16.137 374 1HD1 ILE 47 1HD1 ILE 47 -16.691 18.228 13.821 375 2HD1 ILE 47 2HD1 ILE 47 -15.355 18.286 12.672 376 3HD1 ILE 47 3HD1 ILE 47 -15.407 17.022 13.901 377 H LEU 48 H LEU 48 -13.757 22.760 13.218 378 HA LEU 48 HA LEU 48 -15.788 24.856 13.279 379 1HB LEU 48 1HB LEU 48 -12.766 24.734 13.156 380 2HB LEU 48 2HB LEU 48 -13.639 26.266 13.178 381 HG LEU 48 HG LEU 48 -13.030 25.691 15.458 382 1HD1 LEU 48 1HD1 LEU 48 -15.584 26.286 14.607 383 2HD1 LEU 48 2HD1 LEU 48 -15.850 24.876 15.634 384 3HD1 LEU 48 3HD1 LEU 48 -15.051 26.306 16.288 385 1HD2 LEU 48 1HD2 LEU 48 -12.928 23.175 14.860 386 2HD2 LEU 48 2HD2 LEU 48 -13.506 23.604 16.469 387 3HD2 LEU 48 3HD2 LEU 48 -14.657 23.161 15.208 388 H GLU 49 H GLU 49 -13.431 23.637 10.902 389 HA GLU 49 HA GLU 49 -13.777 25.603 8.883 390 1HB GLU 49 1HB GLU 49 -13.246 22.618 8.716 391 2HB GLU 49 2HB GLU 49 -12.949 23.765 7.410 392 1HG GLU 49 1HG GLU 49 -11.453 25.041 9.015 393 2HG GLU 49 2HG GLU 49 -11.611 23.680 10.126 394 H LYS 50 H LYS 50 -15.849 22.960 9.881 395 HA LYS 50 HA LYS 50 -17.457 22.837 7.470 396 1HB LYS 50 1HB LYS 50 -17.848 21.991 10.355 397 2HB LYS 50 2HB LYS 50 -18.991 21.596 9.072 398 1HG LYS 50 1HG LYS 50 -16.048 20.927 8.873 399 2HG LYS 50 2HG LYS 50 -17.219 19.820 9.589 400 1HD LYS 50 1HD LYS 50 -18.571 20.091 7.429 401 2HD LYS 50 2HD LYS 50 -17.135 20.856 6.750 402 1HE LYS 50 1HE LYS 50 -15.821 18.795 7.389 403 2HE LYS 50 2HE LYS 50 -17.357 18.029 7.842 404 1HZ LYS 50 1HZ LYS 50 -18.192 18.639 5.600 405 2HZ LYS 50 2HZ LYS 50 -16.634 19.165 5.188 406 3HZ LYS 50 3HZ LYS 50 -16.908 17.528 5.550 407 H GLU 51 H GLU 51 -17.698 24.606 10.548 408 HA GLU 51 HA GLU 51 -20.328 25.679 10.146 409 1HB GLU 51 1HB GLU 51 -19.048 25.581 12.284 410 2HB GLU 51 2HB GLU 51 -17.941 26.799 11.650 411 1HG GLU 51 1HG GLU 51 -19.889 28.344 11.355 412 2HG GLU 51 2HG GLU 51 -20.916 27.138 12.131 413 H ALA 52 H ALA 52 -17.142 26.659 9.013 414 HA ALA 52 HA ALA 52 -18.011 29.297 8.091 415 1HB ALA 52 1HB ALA 52 -15.643 28.125 8.751 416 2HB ALA 52 2HB ALA 52 -15.579 27.999 6.992 417 3HB ALA 52 3HB ALA 52 -15.759 29.578 7.757 418 H LYS 53 H LYS 53 -17.946 26.055 6.808 419 HA LYS 53 HA LYS 53 -18.395 25.222 4.630 420 1HB LYS 53 1HB LYS 53 -20.266 27.604 4.843 421 2HB LYS 53 2HB LYS 53 -20.497 26.204 3.795 422 1HG LYS 53 1HG LYS 53 -20.606 24.731 5.761 423 2HG LYS 53 2HG LYS 53 -20.330 26.111 6.823 424 1HD LYS 53 1HD LYS 53 -22.647 25.989 4.881 425 2HD LYS 53 2HD LYS 53 -22.767 25.402 6.539 426 1HE LYS 53 1HE LYS 53 -22.023 27.675 7.334 427 2HE LYS 53 2HE LYS 53 -22.114 28.235 5.653 428 1HZ LYS 53 1HZ LYS 53 -24.357 26.799 6.951 429 2HZ LYS 53 2HZ LYS 53 -24.203 28.487 7.069 430 3HZ LYS 53 3HZ LYS 53 -24.391 27.751 5.549 431 H SER 54 H SER 54 -16.103 26.833 4.538 432 HA SER 54 HA SER 54 -16.306 28.968 2.587 433 1HB SER 54 1HB SER 54 -13.839 28.805 2.672 434 2HB SER 54 2HB SER 54 -14.525 28.741 4.295 435 HG SER 54 HG SER 54 -12.878 27.100 3.641 436 H GLN 55 H GLN 55 -16.145 25.509 2.377 437 HA GLN 55 HA GLN 55 -15.026 25.391 -0.322 438 1HB GLN 55 1HB GLN 55 -16.497 23.425 1.462 439 2HB GLN 55 2HB GLN 55 -15.736 22.990 -0.068 440 1HG GLN 55 1HG GLN 55 -14.201 24.379 2.131 441 2HG GLN 55 2HG GLN 55 -14.345 22.623 2.068 442 2HE2 GLN 55 2HE2 GLN 55 -11.905 22.710 1.704 443 1HE2 GLN 55 1HE2 GLN 55 -11.338 22.977 0.126 No H/Q in entry = 443 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -26.190 10.630 22.121 2 H2 LYS 1 H2 LYS 1 -25.350 11.093 23.519 3 H3 LYS 1 H3 LYS 1 -26.898 11.723 23.212 4 HA LYS 1 HA LYS 1 -26.159 13.218 21.667 5 1HB LYS 1 1HB LYS 1 -23.871 12.563 23.544 6 2HB LYS 1 2HB LYS 1 -23.925 14.026 22.562 7 1HG LYS 1 1HG LYS 1 -26.096 14.625 23.616 8 2HG LYS 1 2HG LYS 1 -25.976 13.190 24.636 9 1HD LYS 1 1HD LYS 1 -23.941 14.029 25.666 10 2HD LYS 1 2HD LYS 1 -23.900 15.399 24.556 11 1HE LYS 1 1HE LYS 1 -26.078 16.189 25.489 12 2HE LYS 1 2HE LYS 1 -26.034 14.850 26.652 13 1HZ LYS 1 1HZ LYS 1 -23.840 15.638 27.374 14 2HZ LYS 1 2HZ LYS 1 -23.957 16.956 26.312 15 3HZ LYS 1 3HZ LYS 1 -25.034 16.822 27.619 16 H ASN 2 H ASN 2 -25.292 13.370 19.617 17 HA ASN 2 HA ASN 2 -23.800 11.082 18.539 18 1HB ASN 2 1HB ASN 2 -24.709 13.727 17.356 19 2HB ASN 2 2HB ASN 2 -24.098 12.359 16.428 20 2HD2 ASN 2 2HD2 ASN 2 -25.371 10.190 17.641 21 1HD2 ASN 2 1HD2 ASN 2 -27.055 10.345 17.492 22 H GLU 3 H GLU 3 -21.730 11.391 17.376 23 HA GLU 3 HA GLU 3 -19.773 12.840 18.913 24 1HB GLU 3 1HB GLU 3 -19.822 11.444 16.230 25 2HB GLU 3 2HB GLU 3 -18.349 12.168 16.875 26 1HG GLU 3 1HG GLU 3 -18.531 10.772 18.892 27 2HG GLU 3 2HG GLU 3 -20.029 10.069 18.282 28 H ASP 4 H ASP 4 -21.725 13.666 16.124 29 HA ASP 4 HA ASP 4 -20.099 15.891 15.207 30 1HB ASP 4 1HB ASP 4 -22.941 14.938 14.814 31 2HB ASP 4 2HB ASP 4 -22.347 16.410 14.044 32 H GLN 5 H GLN 5 -22.351 15.442 17.797 33 HA GLN 5 HA GLN 5 -23.196 18.223 18.038 34 1HB GLN 5 1HB GLN 5 -24.455 16.208 18.832 35 2HB GLN 5 2HB GLN 5 -23.196 15.937 20.037 36 1HG GLN 5 1HG GLN 5 -23.750 17.882 21.236 37 2HG GLN 5 2HG GLN 5 -24.584 18.603 19.859 38 2HE2 GLN 5 2HE2 GLN 5 -25.845 18.326 22.439 39 1HE2 GLN 5 1HE2 GLN 5 -27.121 17.217 22.283 40 H GLU 6 H GLU 6 -21.192 19.428 18.113 41 HA GLU 6 HA GLU 6 -19.432 20.504 19.270 42 1HB GLU 6 1HB GLU 6 -20.493 18.997 21.672 43 2HB GLU 6 2HB GLU 6 -19.693 20.568 21.649 44 1HG GLU 6 1HG GLU 6 -21.582 21.574 20.503 45 2HG GLU 6 2HG GLU 6 -22.359 20.001 20.320 46 H MET 7 H MET 7 -18.897 17.974 17.978 47 HA MET 7 HA MET 7 -17.621 15.945 19.344 48 1HB MET 7 1HB MET 7 -17.870 16.469 16.821 49 2HB MET 7 2HB MET 7 -16.346 17.340 16.986 50 1HG MET 7 1HG MET 7 -15.453 15.177 18.087 51 2HG MET 7 2HG MET 7 -16.880 14.398 17.401 52 1HE MET 7 1HE MET 7 -17.631 15.320 14.960 53 2HE MET 7 2HE MET 7 -16.583 14.748 13.665 54 3HE MET 7 3HE MET 7 -17.088 13.638 14.936 55 H CYS 8 H CYS 8 -16.460 19.259 18.924 56 HA CYS 8 HA CYS 8 -13.828 18.664 20.109 57 1HB CYS 8 1HB CYS 8 -15.281 21.164 19.196 58 2HB CYS 8 2HB CYS 8 -13.641 21.187 19.843 59 H HIS 9 H HIS 9 -13.420 18.777 22.287 60 HA HIS 9 HA HIS 9 -15.289 20.362 24.008 61 1HB HIS 9 1HB HIS 9 -15.959 18.030 24.101 62 2HB HIS 9 2HB HIS 9 -14.292 17.520 24.361 63 HD1 HIS 9 HD1 HIS 9 -16.744 19.910 26.067 64 HD2 HIS 9 HD2 HIS 9 -13.776 17.151 27.040 65 HE1 HIS 9 HE1 HIS 9 -16.644 19.829 28.596 66 H GLU 10 H GLU 10 -12.128 18.742 23.715 67 HA GLU 10 HA GLU 10 -11.063 20.286 26.012 68 1HB GLU 10 1HB GLU 10 -9.189 18.779 25.791 69 2HB GLU 10 2HB GLU 10 -10.652 17.820 25.562 70 1HG GLU 10 1HG GLU 10 -10.392 17.930 23.139 71 2HG GLU 10 2HG GLU 10 -9.005 19.006 23.307 72 H PHE 11 H PHE 11 -10.829 20.145 22.485 73 HA PHE 11 HA PHE 11 -8.546 21.939 22.291 74 1HB PHE 11 1HB PHE 11 -10.675 20.942 20.393 75 2HB PHE 11 2HB PHE 11 -9.351 21.979 19.874 76 HD1 PHE 11 HD1 PHE 11 -7.016 21.189 19.950 77 HD2 PHE 11 HD2 PHE 11 -10.292 18.624 21.015 78 HE1 PHE 11 HE1 PHE 11 -5.530 19.214 19.765 79 HE2 PHE 11 HE2 PHE 11 -8.805 16.652 20.832 80 HZ PHE 11 HZ PHE 11 -6.424 16.946 20.207 81 H GLN 12 H GLN 12 -12.004 22.349 22.621 82 HA GLN 12 HA GLN 12 -12.547 24.803 21.444 83 1HB GLN 12 1HB GLN 12 -14.081 23.356 22.808 84 2HB GLN 12 2HB GLN 12 -13.293 23.964 24.265 85 1HG GLN 12 1HG GLN 12 -13.967 26.245 23.729 86 2HG GLN 12 2HG GLN 12 -14.643 25.717 22.189 87 2HE2 GLN 12 2HE2 GLN 12 -16.340 27.018 24.023 88 1HE2 GLN 12 1HE2 GLN 12 -17.443 25.900 24.666 89 H ALA 13 H ALA 13 -10.995 24.295 24.629 90 HA ALA 13 HA ALA 13 -10.606 27.016 25.323 91 1HB ALA 13 1HB ALA 13 -8.382 25.398 26.143 92 2HB ALA 13 2HB ALA 13 -9.773 25.903 27.104 93 3HB ALA 13 3HB ALA 13 -9.838 24.402 26.179 94 H PHE 14 H PHE 14 -9.088 25.084 22.870 95 HA PHE 14 HA PHE 14 -6.728 26.859 22.657 96 1HB PHE 14 1HB PHE 14 -7.650 24.530 20.946 97 2HB PHE 14 2HB PHE 14 -6.027 25.205 21.024 98 HD1 PHE 14 HD1 PHE 14 -6.685 25.605 24.244 99 HD2 PHE 14 HD2 PHE 14 -6.419 22.337 21.469 100 HE1 PHE 14 HE1 PHE 14 -6.138 24.065 26.109 101 HE2 PHE 14 HE2 PHE 14 -5.874 20.798 23.331 102 HZ PHE 14 HZ PHE 14 -5.733 21.661 25.654 103 H MET 15 H MET 15 -9.792 27.432 21.875 104 HA MET 15 HA MET 15 -9.355 28.199 19.042 105 1HB MET 15 1HB MET 15 -11.728 28.322 18.974 106 2HB MET 15 2HB MET 15 -11.381 26.944 20.008 107 1HG MET 15 1HG MET 15 -11.540 28.581 21.977 108 2HG MET 15 2HG MET 15 -12.241 29.721 20.832 109 1HE MET 15 1HE MET 15 -13.722 28.022 18.839 110 2HE MET 15 2HE MET 15 -15.352 27.897 19.494 111 3HE MET 15 3HE MET 15 -14.472 29.428 19.589 112 H LYS 16 H LYS 16 -8.550 30.219 18.695 113 HA LYS 16 HA LYS 16 -8.957 32.348 20.731 114 1HB LYS 16 1HB LYS 16 -6.697 31.777 19.821 115 2HB LYS 16 2HB LYS 16 -7.260 32.239 18.215 116 1HG LYS 16 1HG LYS 16 -7.965 34.394 19.859 117 2HG LYS 16 2HG LYS 16 -6.353 33.929 20.403 118 1HD LYS 16 1HD LYS 16 -5.822 33.831 17.829 119 2HD LYS 16 2HD LYS 16 -7.238 34.873 17.691 120 1HE LYS 16 1HE LYS 16 -6.240 36.576 19.039 121 2HE LYS 16 2HE LYS 16 -4.968 35.479 19.610 122 1HZ LYS 16 1HZ LYS 16 -5.372 36.039 16.729 123 2HZ LYS 16 2HZ LYS 16 -4.390 37.037 17.686 124 3HZ LYS 16 3HZ LYS 16 -4.000 35.394 17.496 125 H ASN 17 H ASN 17 -11.211 32.784 20.208 126 HA ASN 17 HA ASN 17 -12.909 33.977 19.096 127 1HB ASN 17 1HB ASN 17 -10.481 35.106 17.668 128 2HB ASN 17 2HB ASN 17 -12.080 35.847 17.714 129 2HD2 ASN 17 2HD2 ASN 17 -9.136 36.228 19.080 130 1HD2 ASN 17 1HD2 ASN 17 -9.577 36.762 20.629 131 H GLY 18 H GLY 18 -12.651 31.421 18.142 132 1HA GLY 18 1HA GLY 18 -13.363 31.791 15.298 133 2HA GLY 18 2HA GLY 18 -13.667 30.345 16.256 134 H LYS 19 H LYS 19 -10.477 31.603 16.548 135 HA LYS 19 HA LYS 19 -9.448 29.866 14.358 136 1HB LYS 19 1HB LYS 19 -8.789 32.317 14.837 137 2HB LYS 19 2HB LYS 19 -7.885 31.673 16.209 138 1HG LYS 19 1HG LYS 19 -7.527 30.859 13.306 139 2HG LYS 19 2HG LYS 19 -6.426 31.873 14.236 140 1HD LYS 19 1HD LYS 19 -6.246 29.923 15.884 141 2HD LYS 19 2HD LYS 19 -7.059 28.944 14.662 142 1HE LYS 19 1HE LYS 19 -4.752 30.561 13.698 143 2HE LYS 19 2HE LYS 19 -4.365 29.193 14.759 144 1HZ LYS 19 1HZ LYS 19 -5.870 27.823 13.374 145 2HZ LYS 19 2HZ LYS 19 -6.045 29.131 12.302 146 3HZ LYS 19 3HZ LYS 19 -4.528 28.400 12.506 147 H LEU 20 H LEU 20 -9.075 27.765 14.979 148 HA LEU 20 HA LEU 20 -8.319 27.179 17.794 149 1HB LEU 20 1HB LEU 20 -10.132 26.008 16.347 150 2HB LEU 20 2HB LEU 20 -8.776 25.216 15.545 151 HG LEU 20 HG LEU 20 -9.396 25.137 18.514 152 1HD1 LEU 20 1HD1 LEU 20 -10.042 23.422 16.218 153 2HD1 LEU 20 2HD1 LEU 20 -9.264 22.555 17.543 154 3HD1 LEU 20 3HD1 LEU 20 -10.755 23.454 17.830 155 1HD2 LEU 20 1HD2 LEU 20 -7.067 24.158 16.869 156 2HD2 LEU 20 2HD2 LEU 20 -7.042 25.074 18.377 157 3HD2 LEU 20 3HD2 LEU 20 -7.500 23.370 18.386 158 H PHE 21 H PHE 21 -6.176 26.911 18.289 159 HA PHE 21 HA PHE 21 -4.261 26.411 16.047 160 1HB PHE 21 1HB PHE 21 -2.625 27.085 17.992 161 2HB PHE 21 2HB PHE 21 -3.584 28.331 17.201 162 HD1 PHE 21 HD1 PHE 21 -3.312 26.196 20.222 163 HD2 PHE 21 HD2 PHE 21 -5.330 29.499 18.362 164 HE1 PHE 21 HE1 PHE 21 -4.339 26.794 22.398 165 HE2 PHE 21 HE2 PHE 21 -6.355 30.098 20.539 166 HZ PHE 21 HZ PHE 21 -5.859 28.747 22.557 167 H CYS 22 H CYS 22 -5.093 24.102 16.166 168 HA CYS 22 HA CYS 22 -4.865 22.309 18.274 169 1HB CYS 22 1HB CYS 22 -5.204 22.257 15.513 170 2HB CYS 22 2HB CYS 22 -3.763 21.273 15.772 171 HA PRO 23 HA PRO 23 -0.184 21.600 17.172 172 1HB PRO 23 1HB PRO 23 0.780 24.070 16.047 173 2HB PRO 23 2HB PRO 23 0.745 22.469 15.301 174 1HG PRO 23 1HG PRO 23 -0.886 24.735 14.664 175 2HG PRO 23 2HG PRO 23 -0.957 23.121 13.953 176 1HD PRO 23 1HD PRO 23 -2.835 24.363 15.769 177 2HD PRO 23 2HD PRO 23 -2.950 22.762 15.002 178 H GLN 24 H GLN 24 -0.570 21.951 19.521 179 HA GLN 24 HA GLN 24 0.709 24.480 20.505 180 1HB GLN 24 1HB GLN 24 -1.614 24.589 21.031 181 2HB GLN 24 2HB GLN 24 -1.672 22.881 21.463 182 1HG GLN 24 1HG GLN 24 -0.051 23.430 23.353 183 2HG GLN 24 2HG GLN 24 -0.345 25.131 22.995 184 2HE2 GLN 24 2HE2 GLN 24 -2.073 22.098 23.870 185 1HE2 GLN 24 1HE2 GLN 24 -3.361 22.879 24.653 186 H ASP 25 H ASP 25 -0.342 21.559 22.211 187 HA ASP 25 HA ASP 25 2.525 20.900 22.782 188 1HB ASP 25 1HB ASP 25 1.070 22.217 24.546 189 2HB ASP 25 2HB ASP 25 0.359 20.632 24.850 190 H LYS 26 H LYS 26 2.010 19.257 21.033 191 HA LYS 26 HA LYS 26 0.019 17.213 21.430 192 1HB LYS 26 1HB LYS 26 2.430 17.699 19.728 193 2HB LYS 26 2HB LYS 26 1.769 16.065 19.775 194 1HG LYS 26 1HG LYS 26 -0.375 16.816 19.007 195 2HG LYS 26 2HG LYS 26 0.061 18.508 19.246 196 1HD LYS 26 1HD LYS 26 2.013 17.915 17.562 197 2HD LYS 26 2HD LYS 26 0.920 16.614 17.086 198 1HE LYS 26 1HE LYS 26 -0.894 18.357 16.790 199 2HE LYS 26 2HE LYS 26 0.348 19.597 17.043 200 1HZ LYS 26 1HZ LYS 26 1.635 18.147 15.312 201 2HZ LYS 26 2HZ LYS 26 0.081 17.642 14.859 202 3HZ LYS 26 3HZ LYS 26 0.495 19.288 14.781 203 H LYS 27 H LYS 27 2.788 17.825 23.225 204 HA LYS 27 HA LYS 27 4.196 15.503 23.657 205 1HB LYS 27 1HB LYS 27 2.966 17.431 25.649 206 2HB LYS 27 2HB LYS 27 4.229 16.273 26.062 207 1HG LYS 27 1HG LYS 27 4.499 18.334 23.859 208 2HG LYS 27 2HG LYS 27 5.090 18.578 25.502 209 1HD LYS 27 1HD LYS 27 6.515 16.575 25.289 210 2HD LYS 27 2HD LYS 27 5.921 16.323 23.648 211 1HE LYS 27 1HE LYS 27 6.779 18.678 23.117 212 2HE LYS 27 2HE LYS 27 7.620 18.613 24.678 213 1HZ LYS 27 1HZ LYS 27 7.796 16.415 22.696 214 2HZ LYS 27 2HZ LYS 27 8.876 17.722 22.669 215 3HZ LYS 27 3HZ LYS 27 8.806 16.710 24.031 216 H PHE 28 H PHE 28 0.810 16.062 24.413 217 HA PHE 28 HA PHE 28 0.217 14.061 26.279 218 1HB PHE 28 1HB PHE 28 -1.356 14.774 23.783 219 2HB PHE 28 2HB PHE 28 -2.012 14.166 25.302 220 HD1 PHE 28 HD1 PHE 28 -0.827 15.628 27.404 221 HD2 PHE 28 HD2 PHE 28 -1.843 17.032 23.473 222 HE1 PHE 28 HE1 PHE 28 -0.980 17.947 28.271 223 HE2 PHE 28 HE2 PHE 28 -1.998 19.349 24.341 224 HZ PHE 28 HZ PHE 28 -1.565 19.808 26.739 225 H PHE 29 H PHE 29 1.279 13.704 22.985 226 HA PHE 29 HA PHE 29 0.279 11.154 22.282 227 1HB PHE 29 1HB PHE 29 1.481 12.665 20.778 228 2HB PHE 29 2HB PHE 29 2.941 12.516 21.752 229 HD1 PHE 29 HD1 PHE 29 3.859 10.085 22.091 230 HD2 PHE 29 HD2 PHE 29 1.155 11.225 18.955 231 HE1 PHE 29 HE1 PHE 29 4.536 8.092 20.781 232 HE2 PHE 29 HE2 PHE 29 1.830 9.231 17.646 233 HZ PHE 29 HZ PHE 29 3.522 7.664 18.559 234 H GLN 30 H GLN 30 2.518 12.023 24.757 235 HA GLN 30 HA GLN 30 4.109 9.639 24.896 236 1HB GLN 30 1HB GLN 30 3.230 11.656 26.986 237 2HB GLN 30 2HB GLN 30 4.540 10.496 27.205 238 1HG GLN 30 1HG GLN 30 4.886 11.901 24.706 239 2HG GLN 30 2HG GLN 30 4.705 13.060 26.023 240 2HE2 GLN 30 2HE2 GLN 30 6.997 11.188 24.420 241 1HE2 GLN 30 1HE2 GLN 30 8.183 11.129 25.633 242 H SER 31 H SER 31 0.780 10.042 25.441 243 HA SER 31 HA SER 31 0.680 7.411 26.836 244 1HB SER 31 1HB SER 31 -1.017 8.508 28.424 245 2HB SER 31 2HB SER 31 0.674 8.950 28.659 246 HG SER 31 HG SER 31 -1.013 10.685 28.516 247 H LEU 32 H LEU 32 -1.600 6.549 26.851 248 HA LEU 32 HA LEU 32 -2.843 6.776 24.272 249 1HB LEU 32 1HB LEU 32 -2.816 4.932 26.172 250 2HB LEU 32 2HB LEU 32 -4.268 5.775 26.712 251 HG LEU 32 HG LEU 32 -3.916 4.920 23.837 252 1HD1 LEU 32 1HD1 LEU 32 -4.746 3.317 26.234 253 2HD1 LEU 32 2HD1 LEU 32 -5.547 3.023 24.691 254 3HD1 LEU 32 3HD1 LEU 32 -3.802 2.817 24.831 255 1HD2 LEU 32 1HD2 LEU 32 -6.295 5.582 25.598 256 2HD2 LEU 32 2HD2 LEU 32 -5.669 6.554 24.266 257 3HD2 LEU 32 3HD2 LEU 32 -6.420 4.991 23.941 258 H ASP 33 H ASP 33 -4.028 7.782 27.494 259 HA ASP 33 HA ASP 33 -6.356 9.143 26.632 260 1HB ASP 33 1HB ASP 33 -5.631 8.538 28.981 261 2HB ASP 33 2HB ASP 33 -4.498 9.889 28.916 262 H GLY 34 H GLY 34 -3.010 10.288 27.006 263 1HA GLY 34 1HA GLY 34 -2.008 12.304 26.301 264 2HA GLY 34 2HA GLY 34 -3.625 12.998 26.157 265 H ILE 35 H ILE 35 -2.636 10.003 24.613 266 HA ILE 35 HA ILE 35 -1.959 11.082 22.037 267 HB ILE 35 HB ILE 35 -2.648 8.456 23.280 268 1HG1 ILE 35 1HG1 ILE 35 -0.333 9.523 23.082 269 2HG1 ILE 35 2HG1 ILE 35 -0.471 7.861 22.509 270 1HG2 ILE 35 1HG2 ILE 35 -2.963 9.085 20.364 271 2HG2 ILE 35 2HG2 ILE 35 -2.288 7.523 20.828 272 3HG2 ILE 35 3HG2 ILE 35 -3.900 7.985 21.375 273 1HD1 ILE 35 1HD1 ILE 35 -0.803 8.736 20.190 274 2HD1 ILE 35 2HD1 ILE 35 -0.527 10.367 20.799 275 3HD1 ILE 35 3HD1 ILE 35 0.767 9.170 20.865 276 H MET 36 H MET 36 -5.006 9.992 23.497 277 HA MET 36 HA MET 36 -6.712 9.875 21.294 278 1HB MET 36 1HB MET 36 -6.962 10.802 24.137 279 2HB MET 36 2HB MET 36 -8.343 10.978 23.054 280 1HG MET 36 1HG MET 36 -6.843 8.382 23.516 281 2HG MET 36 2HG MET 36 -8.360 8.810 24.307 282 1HE MET 36 1HE MET 36 -10.072 10.017 22.992 283 2HE MET 36 2HE MET 36 -10.727 9.479 21.447 284 3HE MET 36 3HE MET 36 -10.901 8.458 22.872 285 H PHE 37 H PHE 37 -5.899 12.839 23.161 286 HA PHE 37 HA PHE 37 -7.375 14.727 21.763 287 1HB PHE 37 1HB PHE 37 -6.187 15.989 23.211 288 2HB PHE 37 2HB PHE 37 -5.134 14.613 23.527 289 HD1 PHE 37 HD1 PHE 37 -3.083 14.273 22.107 290 HD2 PHE 37 HD2 PHE 37 -5.449 17.846 21.917 291 HE1 PHE 37 HE1 PHE 37 -1.217 15.444 20.981 292 HE2 PHE 37 HE2 PHE 37 -3.584 19.018 20.780 293 HZ PHE 37 HZ PHE 37 -1.473 17.808 20.310 294 H ILE 38 H ILE 38 -4.145 13.478 20.797 295 HA ILE 38 HA ILE 38 -3.770 14.939 18.428 296 HB ILE 38 HB ILE 38 -3.151 12.065 19.169 297 1HG1 ILE 38 1HG1 ILE 38 -1.567 14.647 19.239 298 2HG1 ILE 38 2HG1 ILE 38 -2.072 13.671 20.618 299 1HG2 ILE 38 1HG2 ILE 38 -3.036 13.232 16.607 300 2HG2 ILE 38 2HG2 ILE 38 -1.376 13.245 17.205 301 3HG2 ILE 38 3HG2 ILE 38 -2.272 11.727 17.122 302 1HD1 ILE 38 1HD1 ILE 38 -0.594 12.086 18.673 303 2HD1 ILE 38 2HD1 ILE 38 0.354 13.457 19.248 304 3HD1 ILE 38 3HD1 ILE 38 -0.303 12.292 20.399 305 H ASN 39 H ASN 39 -5.615 11.936 18.930 306 HA ASN 39 HA ASN 39 -6.381 11.567 16.181 307 1HB ASN 39 1HB ASN 39 -7.583 10.710 18.833 308 2HB ASN 39 2HB ASN 39 -8.122 10.091 17.272 309 2HD2 ASN 39 2HD2 ASN 39 -6.482 8.898 19.692 310 1HD2 ASN 39 1HD2 ASN 39 -5.188 8.122 18.915 311 H LYS 40 H LYS 40 -7.648 13.547 18.789 312 HA LYS 40 HA LYS 40 -10.095 14.205 17.233 313 1HB LYS 40 1HB LYS 40 -10.189 13.678 19.655 314 2HB LYS 40 2HB LYS 40 -9.111 15.032 19.983 315 1HG LYS 40 1HG LYS 40 -10.786 16.565 18.939 316 2HG LYS 40 2HG LYS 40 -11.876 15.192 18.745 317 1HD LYS 40 1HD LYS 40 -10.726 16.047 21.414 318 2HD LYS 40 2HD LYS 40 -12.300 16.575 20.819 319 1HE LYS 40 1HE LYS 40 -13.047 14.224 20.677 320 2HE LYS 40 2HE LYS 40 -11.460 13.683 21.252 321 1HZ LYS 40 1HZ LYS 40 -13.243 15.580 22.696 322 2HZ LYS 40 2HZ LYS 40 -13.088 13.930 23.072 323 3HZ LYS 40 3HZ LYS 40 -11.761 14.975 23.254 324 H CYS 41 H CYS 41 -6.949 15.493 18.004 325 HA CYS 41 HA CYS 41 -7.326 18.277 17.786 326 1HB CYS 41 1HB CYS 41 -5.201 17.373 18.383 327 2HB CYS 41 2HB CYS 41 -5.135 16.371 16.937 328 H ALA 42 H ALA 42 -5.947 16.436 15.076 329 HA ALA 42 HA ALA 42 -6.667 18.287 13.054 330 1HB ALA 42 1HB ALA 42 -6.378 15.280 12.795 331 2HB ALA 42 2HB ALA 42 -6.026 16.492 11.563 332 3HB ALA 42 3HB ALA 42 -5.009 16.372 12.999 333 H THR 43 H THR 43 -8.503 15.635 14.492 334 HA THR 43 HA THR 43 -10.620 15.682 12.474 335 HB THR 43 HB THR 43 -10.440 14.506 15.270 336 HG1 THR 43 HG1 THR 43 -9.748 13.616 12.692 337 1HG2 THR 43 1HG2 THR 43 -12.729 14.863 13.898 338 2HG2 THR 43 2HG2 THR 43 -12.191 13.353 13.161 339 3HG2 THR 43 3HG2 THR 43 -12.438 13.445 14.905 340 H CYS 44 H CYS 44 -9.858 17.507 15.309 341 HA CYS 44 HA CYS 44 -12.655 18.392 15.737 342 1HB CYS 44 1HB CYS 44 -11.338 17.962 17.695 343 2HB CYS 44 2HB CYS 44 -9.980 18.893 17.066 344 H LYS 45 H LYS 45 -9.483 19.925 15.027 345 HA LYS 45 HA LYS 45 -10.361 22.551 14.544 346 1HB LYS 45 1HB LYS 45 -8.317 22.684 13.150 347 2HB LYS 45 2HB LYS 45 -8.014 21.770 14.627 348 1HG LYS 45 1HG LYS 45 -7.497 19.916 13.453 349 2HG LYS 45 2HG LYS 45 -8.986 20.031 12.517 350 1HD LYS 45 1HD LYS 45 -7.367 20.302 10.859 351 2HD LYS 45 2HD LYS 45 -7.734 21.975 11.278 352 1HE LYS 45 1HE LYS 45 -5.726 22.255 12.458 353 2HE LYS 45 2HE LYS 45 -5.545 20.514 12.751 354 1HZ LYS 45 1HZ LYS 45 -5.594 21.619 10.006 355 2HZ LYS 45 2HZ LYS 45 -4.146 21.562 10.893 356 3HZ LYS 45 3HZ LYS 45 -4.982 20.128 10.534 357 H MET 46 H MET 46 -10.790 19.676 12.613 358 HA MET 46 HA MET 46 -11.482 21.078 10.150 359 1HB MET 46 1HB MET 46 -12.029 18.809 9.401 360 2HB MET 46 2HB MET 46 -10.515 18.780 10.300 361 1HG MET 46 1HG MET 46 -11.383 17.347 11.799 362 2HG MET 46 2HG MET 46 -12.723 18.442 12.122 363 1HE MET 46 1HE MET 46 -14.673 18.777 10.502 364 2HE MET 46 2HE MET 46 -13.828 18.612 8.966 365 3HE MET 46 3HE MET 46 -15.245 17.612 9.312 366 H ILE 47 H ILE 47 -13.153 20.010 13.027 367 HA ILE 47 HA ILE 47 -15.837 19.930 12.022 368 HB ILE 47 HB ILE 47 -14.817 20.746 14.765 369 1HG1 ILE 47 1HG1 ILE 47 -13.730 18.682 14.205 370 2HG1 ILE 47 2HG1 ILE 47 -15.095 18.262 15.239 371 1HG2 ILE 47 1HG2 ILE 47 -17.271 21.046 14.267 372 2HG2 ILE 47 2HG2 ILE 47 -17.364 19.312 13.959 373 3HG2 ILE 47 3HG2 ILE 47 -16.940 19.902 15.567 374 1HD1 ILE 47 1HD1 ILE 47 -15.158 18.201 12.208 375 2HD1 ILE 47 2HD1 ILE 47 -14.910 16.785 13.228 376 3HD1 ILE 47 3HD1 ILE 47 -16.438 17.663 13.294 377 H LEU 48 H LEU 48 -13.755 22.547 13.161 378 HA LEU 48 HA LEU 48 -15.779 24.602 13.259 379 1HB LEU 48 1HB LEU 48 -12.769 24.656 12.865 380 2HB LEU 48 2HB LEU 48 -13.751 26.065 13.267 381 HG LEU 48 HG LEU 48 -14.359 23.875 15.057 382 1HD1 LEU 48 1HD1 LEU 48 -11.461 24.639 14.683 383 2HD1 LEU 48 2HD1 LEU 48 -12.066 24.050 16.232 384 3HD1 LEU 48 3HD1 LEU 48 -12.162 23.024 14.800 385 1HD2 LEU 48 1HD2 LEU 48 -14.667 26.429 15.264 386 2HD2 LEU 48 2HD2 LEU 48 -14.113 25.564 16.698 387 3HD2 LEU 48 3HD2 LEU 48 -12.962 26.468 15.714 388 H GLU 49 H GLU 49 -13.525 23.461 10.750 389 HA GLU 49 HA GLU 49 -13.794 25.389 8.763 390 1HB GLU 49 1HB GLU 49 -13.848 22.358 8.590 391 2HB GLU 49 2HB GLU 49 -13.567 23.412 7.204 392 1HG GLU 49 1HG GLU 49 -11.900 23.700 9.696 393 2HG GLU 49 2HG GLU 49 -11.505 22.467 8.499 394 H LYS 50 H LYS 50 -16.222 23.185 9.979 395 HA LYS 50 HA LYS 50 -18.091 23.492 7.765 396 1HB LYS 50 1HB LYS 50 -18.575 22.650 10.640 397 2HB LYS 50 2HB LYS 50 -19.551 22.227 9.233 398 1HG LYS 50 1HG LYS 50 -16.634 21.515 9.249 399 2HG LYS 50 2HG LYS 50 -17.763 20.519 10.165 400 1HD LYS 50 1HD LYS 50 -19.160 20.651 7.902 401 2HD LYS 50 2HD LYS 50 -17.564 20.939 7.210 402 1HE LYS 50 1HE LYS 50 -16.721 18.852 8.101 403 2HE LYS 50 2HE LYS 50 -18.200 18.604 9.050 404 1HZ LYS 50 1HZ LYS 50 -18.347 19.050 6.135 405 2HZ LYS 50 2HZ LYS 50 -18.006 17.497 6.735 406 3HZ LYS 50 3HZ LYS 50 -19.460 18.271 7.150 407 H GLU 51 H GLU 51 -17.516 25.121 10.861 408 HA GLU 51 HA GLU 51 -19.957 26.590 11.045 409 1HB GLU 51 1HB GLU 51 -18.292 26.340 12.842 410 2HB GLU 51 2HB GLU 51 -17.123 27.266 11.900 411 1HG GLU 51 1HG GLU 51 -18.750 29.189 11.912 412 2HG GLU 51 2HG GLU 51 -19.759 28.260 13.021 413 H ALA 52 H ALA 52 -17.090 27.061 9.075 414 HA ALA 52 HA ALA 52 -17.721 29.826 8.351 415 1HB ALA 52 1HB ALA 52 -15.768 27.692 7.491 416 2HB ALA 52 2HB ALA 52 -15.882 29.215 6.609 417 3HB ALA 52 3HB ALA 52 -15.437 29.217 8.315 418 H LYS 53 H LYS 53 -18.152 30.409 6.029 419 HA LYS 53 HA LYS 53 -20.287 28.707 4.922 420 1HB LYS 53 1HB LYS 53 -19.080 31.368 4.097 421 2HB LYS 53 2HB LYS 53 -20.545 30.668 3.408 422 1HG LYS 53 1HG LYS 53 -21.571 30.656 5.678 423 2HG LYS 53 2HG LYS 53 -20.123 31.438 6.313 424 1HD LYS 53 1HD LYS 53 -20.496 33.323 4.710 425 2HD LYS 53 2HD LYS 53 -22.004 32.557 4.211 426 1HE LYS 53 1HE LYS 53 -21.426 33.241 7.109 427 2HE LYS 53 2HE LYS 53 -22.246 34.364 6.007 428 1HZ LYS 53 1HZ LYS 53 -23.763 32.481 5.439 429 2HZ LYS 53 2HZ LYS 53 -23.072 31.596 6.713 430 3HZ LYS 53 3HZ LYS 53 -23.916 33.030 7.039 431 H SER 54 H SER 54 -16.922 28.966 4.533 432 HA SER 54 HA SER 54 -16.684 28.521 1.687 433 1HB SER 54 1HB SER 54 -14.360 27.934 2.334 434 2HB SER 54 2HB SER 54 -14.900 29.402 3.148 435 HG SER 54 HG SER 54 -14.549 26.813 4.171 436 H GLN 55 H GLN 55 -17.542 26.480 4.348 437 HA GLN 55 HA GLN 55 -18.032 24.208 2.605 438 1HB GLN 55 1HB GLN 55 -15.531 24.240 2.846 439 2HB GLN 55 2HB GLN 55 -15.738 24.037 4.587 440 1HG GLN 55 1HG GLN 55 -16.778 21.891 4.295 441 2HG GLN 55 2HG GLN 55 -16.910 22.124 2.552 442 2HE2 GLN 55 2HE2 GLN 55 -15.110 20.460 4.770 443 1HE2 GLN 55 1HE2 GLN 55 -13.634 20.364 3.936 No H/Q in entry = 443 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -28.108 24.802 18.325 2 H2 LYS 1 H2 LYS 1 -29.416 25.281 19.298 3 H3 LYS 1 H3 LYS 1 -28.353 26.445 18.665 4 HA LYS 1 HA LYS 1 -26.593 25.775 20.078 5 1HB LYS 1 1HB LYS 1 -28.544 27.142 20.944 6 2HB LYS 1 2HB LYS 1 -29.197 25.653 21.629 7 1HG LYS 1 1HG LYS 1 -27.184 25.358 22.987 8 2HG LYS 1 2HG LYS 1 -26.448 26.781 22.249 9 1HD LYS 1 1HD LYS 1 -28.341 28.159 23.132 10 2HD LYS 1 2HD LYS 1 -28.952 26.727 23.961 11 1HE LYS 1 1HE LYS 1 -26.834 26.554 25.233 12 2HE LYS 1 2HE LYS 1 -26.224 27.999 24.402 13 1HZ LYS 1 1HZ LYS 1 -28.580 28.895 25.166 14 2HZ LYS 1 2HZ LYS 1 -28.353 27.753 26.398 15 3HZ LYS 1 3HZ LYS 1 -27.219 28.998 26.177 16 H ASN 2 H ASN 2 -25.979 23.556 19.392 17 HA ASN 2 HA ASN 2 -26.556 21.580 21.501 18 1HB ASN 2 1HB ASN 2 -27.388 19.927 19.813 19 2HB ASN 2 2HB ASN 2 -28.452 21.324 19.978 20 2HD2 ASN 2 2HD2 ASN 2 -29.038 20.458 17.651 21 1HD2 ASN 2 1HD2 ASN 2 -28.143 21.115 16.367 22 H GLU 3 H GLU 3 -25.401 19.383 20.678 23 HA GLU 3 HA GLU 3 -22.608 20.078 20.236 24 1HB GLU 3 1HB GLU 3 -24.153 17.471 20.387 25 2HB GLU 3 2HB GLU 3 -22.393 17.570 20.340 26 1HG GLU 3 1HG GLU 3 -22.643 17.592 22.622 27 2HG GLU 3 2HG GLU 3 -22.874 19.317 22.339 28 H ASP 4 H ASP 4 -25.158 19.853 18.107 29 HA ASP 4 HA ASP 4 -23.949 18.345 15.938 30 1HB ASP 4 1HB ASP 4 -26.260 20.235 16.327 31 2HB ASP 4 2HB ASP 4 -25.811 19.724 14.699 32 H GLN 5 H GLN 5 -23.089 21.266 17.296 33 HA GLN 5 HA GLN 5 -21.993 22.285 14.694 34 1HB GLN 5 1HB GLN 5 -22.749 23.850 17.182 35 2HB GLN 5 2HB GLN 5 -22.324 24.514 15.604 36 1HG GLN 5 1HG GLN 5 -24.322 23.667 14.604 37 2HG GLN 5 2HG GLN 5 -24.666 22.640 15.996 38 2HE2 GLN 5 2HE2 GLN 5 -24.330 24.407 18.138 39 1HE2 GLN 5 1HE2 GLN 5 -25.444 25.681 18.017 40 H GLU 6 H GLU 6 -21.439 21.681 18.119 41 HA GLU 6 HA GLU 6 -18.500 22.070 17.655 42 1HB GLU 6 1HB GLU 6 -20.301 22.888 19.947 43 2HB GLU 6 2HB GLU 6 -18.546 22.817 20.112 44 1HG GLU 6 1HG GLU 6 -18.384 24.342 18.104 45 2HG GLU 6 2HG GLU 6 -20.135 24.534 18.188 46 H MET 7 H MET 7 -19.613 19.567 17.293 47 HA MET 7 HA MET 7 -20.092 17.799 19.343 48 1HB MET 7 1HB MET 7 -18.207 17.489 16.984 49 2HB MET 7 2HB MET 7 -18.890 16.145 17.901 50 1HG MET 7 1HG MET 7 -21.185 17.060 17.348 51 2HG MET 7 2HG MET 7 -20.395 18.200 16.259 52 1HE MET 7 1HE MET 7 -18.163 16.987 14.889 53 2HE MET 7 2HE MET 7 -18.859 16.156 13.500 54 3HE MET 7 3HE MET 7 -19.501 17.723 14.011 55 H CYS 8 H CYS 8 -16.942 19.217 18.510 56 HA CYS 8 HA CYS 8 -15.609 17.691 20.679 57 1HB CYS 8 1HB CYS 8 -14.654 18.038 18.367 58 2HB CYS 8 2HB CYS 8 -14.527 19.758 18.739 59 H HIS 9 H HIS 9 -15.740 18.573 22.707 60 HA HIS 9 HA HIS 9 -15.881 21.554 22.962 61 1HB HIS 9 1HB HIS 9 -16.678 19.268 24.794 62 2HB HIS 9 2HB HIS 9 -16.840 20.975 25.206 63 HD1 HIS 9 HD1 HIS 9 -18.386 18.267 23.177 64 HD2 HIS 9 HD2 HIS 9 -18.815 22.388 23.631 65 HE1 HIS 9 HE1 HIS 9 -20.566 18.889 22.047 66 H GLU 10 H GLU 10 -13.826 18.859 23.427 67 HA GLU 10 HA GLU 10 -12.349 19.794 25.742 68 1HB GLU 10 1HB GLU 10 -12.499 17.444 24.836 69 2HB GLU 10 2HB GLU 10 -11.494 17.961 23.481 70 1HG GLU 10 1HG GLU 10 -9.871 18.823 25.343 71 2HG GLU 10 2HG GLU 10 -10.764 17.722 26.392 72 H PHE 11 H PHE 11 -11.784 19.971 22.211 73 HA PHE 11 HA PHE 11 -9.355 21.586 22.567 74 1HB PHE 11 1HB PHE 11 -11.005 20.545 20.274 75 2HB PHE 11 2HB PHE 11 -9.685 21.674 19.991 76 HD1 PHE 11 HD1 PHE 11 -10.517 18.349 21.460 77 HD2 PHE 11 HD2 PHE 11 -7.417 20.970 20.057 78 HE1 PHE 11 HE1 PHE 11 -8.884 16.490 21.595 79 HE2 PHE 11 HE2 PHE 11 -5.784 19.110 20.194 80 HZ PHE 11 HZ PHE 11 -6.518 16.871 20.963 81 H GLN 12 H GLN 12 -12.755 22.191 22.297 82 HA GLN 12 HA GLN 12 -12.955 24.626 20.945 83 1HB GLN 12 1HB GLN 12 -14.803 23.352 22.018 84 2HB GLN 12 2HB GLN 12 -14.211 23.853 23.602 85 1HG GLN 12 1HG GLN 12 -14.472 26.252 22.835 86 2HG GLN 12 2HG GLN 12 -15.285 25.635 21.398 87 2HE2 GLN 12 2HE2 GLN 12 -17.517 25.716 21.643 88 1HE2 GLN 12 1HE2 GLN 12 -18.354 25.450 23.096 89 H ALA 13 H ALA 13 -11.734 24.029 24.229 90 HA ALA 13 HA ALA 13 -11.409 26.762 25.019 91 1HB ALA 13 1HB ALA 13 -10.347 25.795 26.850 92 2HB ALA 13 2HB ALA 13 -9.503 24.606 25.858 93 3HB ALA 13 3HB ALA 13 -11.214 24.391 26.228 94 H PHE 14 H PHE 14 -9.661 24.746 22.794 95 HA PHE 14 HA PHE 14 -7.220 26.401 22.876 96 1HB PHE 14 1HB PHE 14 -8.087 24.140 21.049 97 2HB PHE 14 2HB PHE 14 -6.447 24.744 21.255 98 HD1 PHE 14 HD1 PHE 14 -7.126 25.215 24.387 99 HD2 PHE 14 HD2 PHE 14 -7.214 21.868 21.695 100 HE1 PHE 14 HE1 PHE 14 -6.799 23.671 26.298 101 HE2 PHE 14 HE2 PHE 14 -6.888 20.324 23.606 102 HZ PHE 14 HZ PHE 14 -6.680 21.224 25.908 103 H MET 15 H MET 15 -10.108 27.221 21.805 104 HA MET 15 HA MET 15 -9.330 28.015 19.051 105 1HB MET 15 1HB MET 15 -11.680 28.320 18.753 106 2HB MET 15 2HB MET 15 -11.512 26.860 19.717 107 1HG MET 15 1HG MET 15 -11.734 28.451 21.760 108 2HG MET 15 2HG MET 15 -12.371 29.610 20.597 109 1HE MET 15 1HE MET 15 -13.991 29.751 22.165 110 2HE MET 15 2HE MET 15 -15.570 29.260 21.540 111 3HE MET 15 3HE MET 15 -14.868 28.425 22.924 112 H LYS 16 H LYS 16 -8.237 29.942 18.984 113 HA LYS 16 HA LYS 16 -8.770 32.045 21.001 114 1HB LYS 16 1HB LYS 16 -6.480 31.246 20.159 115 2HB LYS 16 2HB LYS 16 -6.862 32.073 18.649 116 1HG LYS 16 1HG LYS 16 -7.487 33.954 20.605 117 2HG LYS 16 2HG LYS 16 -6.015 33.194 21.211 118 1HD LYS 16 1HD LYS 16 -5.054 33.520 18.860 119 2HD LYS 16 2HD LYS 16 -6.437 34.569 18.549 120 1HE LYS 16 1HE LYS 16 -5.736 36.169 20.134 121 2HE LYS 16 2HE LYS 16 -4.706 35.004 20.988 122 1HZ LYS 16 1HZ LYS 16 -4.178 35.443 18.146 123 2HZ LYS 16 2HZ LYS 16 -3.735 36.695 19.200 124 3HZ LYS 16 3HZ LYS 16 -3.088 35.138 19.414 125 H ASN 17 H ASN 17 -10.898 32.731 20.310 126 HA ASN 17 HA ASN 17 -12.389 34.068 19.063 127 1HB ASN 17 1HB ASN 17 -9.737 35.017 17.925 128 2HB ASN 17 2HB ASN 17 -11.268 35.882 17.803 129 2HD2 ASN 17 2HD2 ASN 17 -8.481 36.012 19.505 130 1HD2 ASN 17 1HD2 ASN 17 -9.057 36.566 21.002 131 H GLY 18 H GLY 18 -12.261 31.528 18.074 132 1HA GLY 18 1HA GLY 18 -12.683 31.981 15.197 133 2HA GLY 18 2HA GLY 18 -13.084 30.511 16.083 134 H LYS 19 H LYS 19 -9.931 31.655 16.735 135 HA LYS 19 HA LYS 19 -8.697 30.068 14.544 136 1HB LYS 19 1HB LYS 19 -8.040 32.440 15.390 137 2HB LYS 19 2HB LYS 19 -7.282 31.585 16.734 138 1HG LYS 19 1HG LYS 19 -6.729 30.938 13.826 139 2HG LYS 19 2HG LYS 19 -5.742 32.050 14.774 140 1HD LYS 19 1HD LYS 19 -5.408 30.192 16.451 141 2HD LYS 19 2HD LYS 19 -6.215 29.104 15.321 142 1HE LYS 19 1HE LYS 19 -4.056 30.722 14.107 143 2HE LYS 19 2HE LYS 19 -3.510 29.554 15.325 144 1HZ LYS 19 1HZ LYS 19 -5.237 28.032 14.124 145 2HZ LYS 19 2HZ LYS 19 -4.984 29.086 12.820 146 3HZ LYS 19 3HZ LYS 19 -3.679 28.218 13.473 147 H LEU 20 H LEU 20 -8.711 27.889 15.059 148 HA LEU 20 HA LEU 20 -8.306 26.972 17.829 149 1HB LEU 20 1HB LEU 20 -9.806 26.050 15.868 150 2HB LEU 20 2HB LEU 20 -8.320 25.245 15.366 151 HG LEU 20 HG LEU 20 -9.701 24.988 18.053 152 1HD1 LEU 20 1HD1 LEU 20 -10.383 23.717 15.806 153 2HD1 LEU 20 2HD1 LEU 20 -9.017 22.698 16.259 154 3HD1 LEU 20 3HD1 LEU 20 -10.379 22.890 17.363 155 1HD2 LEU 20 1HD2 LEU 20 -7.027 23.994 17.045 156 2HD2 LEU 20 2HD2 LEU 20 -7.353 24.940 18.497 157 3HD2 LEU 20 3HD2 LEU 20 -7.856 23.251 18.413 158 H PHE 21 H PHE 21 -6.212 26.897 18.604 159 HA PHE 21 HA PHE 21 -4.004 26.384 16.666 160 1HB PHE 21 1HB PHE 21 -2.614 27.161 18.663 161 2HB PHE 21 2HB PHE 21 -3.698 28.365 17.976 162 HD1 PHE 21 HD1 PHE 21 -3.092 26.119 20.838 163 HD2 PHE 21 HD2 PHE 21 -5.685 29.114 19.174 164 HE1 PHE 21 HE1 PHE 21 -4.173 26.411 23.048 165 HE2 PHE 21 HE2 PHE 21 -6.765 29.405 21.387 166 HZ PHE 21 HZ PHE 21 -6.009 28.055 23.324 167 H CYS 22 H CYS 22 -5.113 24.077 16.827 168 HA CYS 22 HA CYS 22 -4.918 22.372 19.031 169 1HB CYS 22 1HB CYS 22 -5.567 22.167 16.400 170 2HB CYS 22 2HB CYS 22 -4.042 21.282 16.416 171 HA PRO 23 HA PRO 23 -0.348 21.363 17.759 172 1HB PRO 23 1HB PRO 23 0.705 23.697 16.448 173 2HB PRO 23 2HB PRO 23 0.523 22.068 15.794 174 1HG PRO 23 1HG PRO 23 -0.970 24.393 15.089 175 2HG PRO 23 2HG PRO 23 -1.226 22.741 14.520 176 1HD PRO 23 1HD PRO 23 -2.833 24.286 16.394 177 2HD PRO 23 2HD PRO 23 -3.186 22.696 15.683 178 H GLN 24 H GLN 24 -0.523 21.868 20.117 179 HA GLN 24 HA GLN 24 0.951 24.385 20.819 180 1HB GLN 24 1HB GLN 24 -0.501 24.619 22.722 181 2HB GLN 24 2HB GLN 24 -1.542 24.303 21.335 182 1HG GLN 24 1HG GLN 24 -0.896 21.761 22.280 183 2HG GLN 24 2HG GLN 24 -1.135 22.709 23.747 184 2HE2 GLN 24 2HE2 GLN 24 -2.766 21.044 21.237 185 1HE2 GLN 24 1HE2 GLN 24 -4.330 21.631 21.545 186 H ASP 25 H ASP 25 0.492 20.952 21.362 187 HA ASP 25 HA ASP 25 3.134 20.542 22.383 188 1HB ASP 25 1HB ASP 25 2.170 21.816 24.282 189 2HB ASP 25 2HB ASP 25 0.880 20.622 24.420 190 H LYS 26 H LYS 26 1.829 19.163 20.462 191 HA LYS 26 HA LYS 26 0.158 16.996 21.152 192 1HB LYS 26 1HB LYS 26 2.128 17.670 19.015 193 2HB LYS 26 2HB LYS 26 1.564 16.001 19.096 194 1HG LYS 26 1HG LYS 26 -0.757 16.734 18.952 195 2HG LYS 26 2HG LYS 26 -0.260 18.425 19.015 196 1HD LYS 26 1HD LYS 26 1.195 17.786 16.923 197 2HD LYS 26 2HD LYS 26 0.069 16.437 16.784 198 1HE LYS 26 1HE LYS 26 -1.792 17.875 16.463 199 2HE LYS 26 2HE LYS 26 -0.918 19.282 17.097 200 1HZ LYS 26 1HZ LYS 26 0.110 17.786 14.766 201 2HZ LYS 26 2HZ LYS 26 -1.078 18.982 14.554 202 3HZ LYS 26 3HZ LYS 26 0.430 19.388 15.224 203 H LYS 27 H LYS 27 3.444 17.507 22.043 204 HA LYS 27 HA LYS 27 4.706 15.061 22.110 205 1HB LYS 27 1HB LYS 27 4.390 17.125 24.312 206 2HB LYS 27 2HB LYS 27 5.636 15.880 24.296 207 1HG LYS 27 1HG LYS 27 6.467 16.755 22.131 208 2HG LYS 27 2HG LYS 27 5.241 18.021 22.185 209 1HD LYS 27 1HD LYS 27 6.202 18.895 24.266 210 2HD LYS 27 2HD LYS 27 7.397 17.598 24.277 211 1HE LYS 27 1HE LYS 27 8.293 18.430 22.105 212 2HE LYS 27 2HE LYS 27 7.126 19.767 22.161 213 1HZ LYS 27 1HZ LYS 27 8.054 20.110 24.521 214 2HZ LYS 27 2HZ LYS 27 9.377 19.190 23.989 215 3HZ LYS 27 3HZ LYS 27 8.989 20.650 23.210 216 H PHE 28 H PHE 28 1.815 15.969 23.886 217 HA PHE 28 HA PHE 28 1.694 14.129 25.978 218 1HB PHE 28 1HB PHE 28 -0.548 14.788 24.044 219 2HB PHE 28 2HB PHE 28 -0.707 14.377 25.750 220 HD1 PHE 28 HD1 PHE 28 1.482 15.946 26.965 221 HD2 PHE 28 HD2 PHE 28 -1.305 17.013 23.877 222 HE1 PHE 28 HE1 PHE 28 1.737 18.340 27.562 223 HE2 PHE 28 HE2 PHE 28 -1.052 19.405 24.473 224 HZ PHE 28 HZ PHE 28 0.470 20.070 26.313 225 H PHE 29 H PHE 29 1.639 13.481 22.553 226 HA PHE 29 HA PHE 29 0.297 11.123 22.165 227 1HB PHE 29 1HB PHE 29 1.722 12.327 20.532 228 2HB PHE 29 2HB PHE 29 3.159 11.727 21.360 229 HD1 PHE 29 HD1 PHE 29 3.236 9.101 21.714 230 HD2 PHE 29 HD2 PHE 29 0.865 11.100 18.743 231 HE1 PHE 29 HE1 PHE 29 3.119 7.003 20.396 232 HE2 PHE 29 HE2 PHE 29 0.747 9.003 17.425 233 HZ PHE 29 HZ PHE 29 1.875 6.954 18.252 234 H GLN 30 H GLN 30 3.131 11.538 24.201 235 HA GLN 30 HA GLN 30 3.885 8.769 24.418 236 1HB GLN 30 1HB GLN 30 5.249 9.587 26.225 237 2HB GLN 30 2HB GLN 30 5.185 10.873 25.020 238 1HG GLN 30 1HG GLN 30 3.284 11.894 26.310 239 2HG GLN 30 2HG GLN 30 3.542 10.679 27.561 240 2HE2 GLN 30 2HE2 GLN 30 4.409 13.811 26.650 241 1HE2 GLN 30 1HE2 GLN 30 5.833 13.960 27.563 242 H SER 31 H SER 31 1.057 10.302 25.435 243 HA SER 31 HA SER 31 0.584 8.161 27.480 244 1HB SER 31 1HB SER 31 1.083 10.312 28.558 245 2HB SER 31 2HB SER 31 -0.153 11.105 27.582 246 HG SER 31 HG SER 31 -0.578 10.167 29.873 247 H LEU 32 H LEU 32 -1.575 7.358 27.514 248 HA LEU 32 HA LEU 32 -3.046 7.136 25.169 249 1HB LEU 32 1HB LEU 32 -3.349 5.892 27.320 250 2HB LEU 32 2HB LEU 32 -4.143 7.317 27.988 251 HG LEU 32 HG LEU 32 -5.950 7.159 26.431 252 1HD1 LEU 32 1HD1 LEU 32 -4.204 5.118 25.029 253 2HD1 LEU 32 2HD1 LEU 32 -5.911 5.350 24.651 254 3HD1 LEU 32 3HD1 LEU 32 -4.764 6.666 24.396 255 1HD2 LEU 32 1HD2 LEU 32 -5.953 5.506 28.317 256 2HD2 LEU 32 2HD2 LEU 32 -6.859 4.954 26.908 257 3HD2 LEU 32 3HD2 LEU 32 -5.245 4.319 27.223 258 H ASP 33 H ASP 33 -3.690 9.486 27.785 259 HA ASP 33 HA ASP 33 -5.817 10.894 26.598 260 1HB ASP 33 1HB ASP 33 -4.616 11.089 28.908 261 2HB ASP 33 2HB ASP 33 -3.559 12.237 28.088 262 H GLY 34 H GLY 34 -2.331 11.152 26.071 263 1HA GLY 34 1HA GLY 34 -1.114 12.375 24.464 264 2HA GLY 34 2HA GLY 34 -2.517 13.424 24.277 265 H ILE 35 H ILE 35 -2.027 9.927 23.797 266 HA ILE 35 HA ILE 35 -2.097 9.891 20.971 267 HB ILE 35 HB ILE 35 -2.744 8.020 23.221 268 1HG1 ILE 35 1HG1 ILE 35 -0.429 8.337 22.482 269 2HG1 ILE 35 2HG1 ILE 35 -0.962 6.702 22.090 270 1HG2 ILE 35 1HG2 ILE 35 -3.300 7.402 20.301 271 2HG2 ILE 35 2HG2 ILE 35 -3.316 6.223 21.613 272 3HG2 ILE 35 3HG2 ILE 35 -4.511 7.519 21.578 273 1HD1 ILE 35 1HD1 ILE 35 -1.669 8.423 19.912 274 2HD1 ILE 35 2HD1 ILE 35 0.027 8.702 20.309 275 3HD1 ILE 35 3HD1 ILE 35 -0.530 7.076 19.913 276 H MET 36 H MET 36 -4.689 10.146 23.350 277 HA MET 36 HA MET 36 -6.840 9.792 21.397 278 1HB MET 36 1HB MET 36 -6.494 10.433 24.288 279 2HB MET 36 2HB MET 36 -8.010 10.925 23.531 280 1HG MET 36 1HG MET 36 -6.846 8.124 23.438 281 2HG MET 36 2HG MET 36 -8.158 8.638 24.498 282 1HE MET 36 1HE MET 36 -10.312 8.281 24.110 283 2HE MET 36 2HE MET 36 -10.454 9.883 23.373 284 3HE MET 36 3HE MET 36 -11.231 8.490 22.621 285 H PHE 37 H PHE 37 -6.034 12.625 23.467 286 HA PHE 37 HA PHE 37 -7.522 14.551 22.125 287 1HB PHE 37 1HB PHE 37 -6.493 15.773 23.725 288 2HB PHE 37 2HB PHE 37 -5.422 14.412 24.042 289 HD1 PHE 37 HD1 PHE 37 -3.256 14.222 22.758 290 HD2 PHE 37 HD2 PHE 37 -5.711 17.737 22.633 291 HE1 PHE 37 HE1 PHE 37 -1.348 15.520 21.863 292 HE2 PHE 37 HE2 PHE 37 -3.804 19.036 21.729 293 HZ PHE 37 HZ PHE 37 -1.626 17.918 21.341 294 H ILE 38 H ILE 38 -4.184 13.510 21.288 295 HA ILE 38 HA ILE 38 -3.743 15.179 19.064 296 HB ILE 38 HB ILE 38 -2.990 12.314 19.693 297 1HG1 ILE 38 1HG1 ILE 38 -1.627 15.006 19.915 298 2HG1 ILE 38 2HG1 ILE 38 -1.967 13.852 21.203 299 1HG2 ILE 38 1HG2 ILE 38 -2.989 12.791 17.210 300 2HG2 ILE 38 2HG2 ILE 38 -1.809 14.065 17.519 301 3HG2 ILE 38 3HG2 ILE 38 -1.405 12.384 17.871 302 1HD1 ILE 38 1HD1 ILE 38 -0.441 12.223 19.956 303 2HD1 ILE 38 2HD1 ILE 38 0.063 13.601 18.976 304 3HD1 ILE 38 3HD1 ILE 38 0.356 13.601 20.715 305 H ASN 39 H ASN 39 -5.535 12.116 19.286 306 HA ASN 39 HA ASN 39 -6.100 11.835 16.481 307 1HB ASN 39 1HB ASN 39 -7.521 10.911 18.997 308 2HB ASN 39 2HB ASN 39 -7.904 10.323 17.380 309 2HD2 ASN 39 2HD2 ASN 39 -6.944 8.521 19.365 310 1HD2 ASN 39 1HD2 ASN 39 -5.386 8.009 18.932 311 H LYS 40 H LYS 40 -7.842 13.401 19.149 312 HA LYS 40 HA LYS 40 -10.035 14.286 17.397 313 1HB LYS 40 1HB LYS 40 -9.245 14.820 20.279 314 2HB LYS 40 2HB LYS 40 -10.737 15.408 19.546 315 1HG LYS 40 1HG LYS 40 -11.429 13.103 19.060 316 2HG LYS 40 2HG LYS 40 -9.918 12.493 19.735 317 1HD LYS 40 1HD LYS 40 -10.602 13.772 21.883 318 2HD LYS 40 2HD LYS 40 -12.214 13.825 21.168 319 1HE LYS 40 1HE LYS 40 -11.767 11.222 20.805 320 2HE LYS 40 2HE LYS 40 -10.663 11.465 22.170 321 1HZ LYS 40 1HZ LYS 40 -12.536 12.712 23.255 322 2HZ LYS 40 2HZ LYS 40 -13.556 12.128 22.030 323 3HZ LYS 40 3HZ LYS 40 -12.795 11.040 23.091 324 H CYS 41 H CYS 41 -6.912 15.376 18.263 325 HA CYS 41 HA CYS 41 -7.170 18.201 18.289 326 1HB CYS 41 1HB CYS 41 -5.157 16.914 18.882 327 2HB CYS 41 2HB CYS 41 -4.992 16.380 17.213 328 H ALA 42 H ALA 42 -5.967 16.304 15.513 329 HA ALA 42 HA ALA 42 -6.408 18.374 13.582 330 1HB ALA 42 1HB ALA 42 -5.094 16.007 13.695 331 2HB ALA 42 2HB ALA 42 -5.470 16.816 12.173 332 3HB ALA 42 3HB ALA 42 -6.507 15.516 12.760 333 H THR 43 H THR 43 -8.476 15.780 14.796 334 HA THR 43 HA THR 43 -10.506 16.019 12.732 335 HB THR 43 HB THR 43 -10.531 14.882 15.549 336 HG1 THR 43 HG1 THR 43 -9.623 13.203 14.678 337 1HG2 THR 43 1HG2 THR 43 -12.759 15.425 14.242 338 2HG2 THR 43 2HG2 THR 43 -12.333 13.976 13.332 339 3HG2 THR 43 3HG2 THR 43 -12.574 13.882 15.076 340 H CYS 44 H CYS 44 -10.236 17.194 16.104 341 HA CYS 44 HA CYS 44 -12.755 18.543 16.196 342 1HB CYS 44 1HB CYS 44 -10.092 18.867 17.597 343 2HB CYS 44 2HB CYS 44 -11.494 19.848 18.025 344 H LYS 45 H LYS 45 -9.700 19.373 14.723 345 HA LYS 45 HA LYS 45 -10.087 22.226 14.525 346 1HB LYS 45 1HB LYS 45 -7.907 21.201 14.293 347 2HB LYS 45 2HB LYS 45 -8.472 20.180 12.972 348 1HG LYS 45 1HG LYS 45 -9.096 22.621 11.969 349 2HG LYS 45 2HG LYS 45 -7.694 23.047 12.952 350 1HD LYS 45 1HD LYS 45 -6.472 21.115 11.844 351 2HD LYS 45 2HD LYS 45 -7.834 20.992 10.731 352 1HE LYS 45 1HE LYS 45 -7.430 23.176 9.839 353 2HE LYS 45 2HE LYS 45 -6.326 23.588 11.164 354 1HZ LYS 45 1HZ LYS 45 -5.059 21.506 10.399 355 2HZ LYS 45 2HZ LYS 45 -5.928 21.670 8.949 356 3HZ LYS 45 3HZ LYS 45 -4.900 22.916 9.467 357 H MET 46 H MET 46 -10.757 19.513 12.287 358 HA MET 46 HA MET 46 -11.731 21.102 10.116 359 1HB MET 46 1HB MET 46 -12.598 18.971 9.326 360 2HB MET 46 2HB MET 46 -11.044 18.683 10.105 361 1HG MET 46 1HG MET 46 -12.003 17.292 11.588 362 2HG MET 46 2HG MET 46 -13.140 18.547 12.074 363 1HE MET 46 1HE MET 46 -13.931 16.244 12.609 364 2HE MET 46 2HE MET 46 -15.494 15.899 11.872 365 3HE MET 46 3HE MET 46 -14.081 14.956 11.405 366 H ILE 47 H ILE 47 -13.171 20.149 13.138 367 HA ILE 47 HA ILE 47 -15.941 20.318 12.515 368 HB ILE 47 HB ILE 47 -14.491 21.187 15.039 369 1HG1 ILE 47 1HG1 ILE 47 -13.674 19.003 14.515 370 2HG1 ILE 47 2HG1 ILE 47 -14.954 18.761 15.702 371 1HG2 ILE 47 1HG2 ILE 47 -17.317 20.461 14.343 372 2HG2 ILE 47 2HG2 ILE 47 -16.706 20.067 15.951 373 3HG2 ILE 47 3HG2 ILE 47 -16.721 21.742 15.398 374 1HD1 ILE 47 1HD1 ILE 47 -16.411 18.675 13.413 375 2HD1 ILE 47 2HD1 ILE 47 -14.877 18.031 12.827 376 3HD1 ILE 47 3HD1 ILE 47 -15.709 17.242 14.167 377 H LEU 48 H LEU 48 -13.602 22.847 13.433 378 HA LEU 48 HA LEU 48 -15.531 25.009 13.447 379 1HB LEU 48 1HB LEU 48 -12.521 24.749 13.318 380 2HB LEU 48 2HB LEU 48 -13.308 26.327 13.293 381 HG LEU 48 HG LEU 48 -12.704 25.721 15.593 382 1HD1 LEU 48 1HD1 LEU 48 -15.149 26.631 14.740 383 2HD1 LEU 48 2HD1 LEU 48 -15.611 25.261 15.750 384 3HD1 LEU 48 3HD1 LEU 48 -14.641 26.569 16.428 385 1HD2 LEU 48 1HD2 LEU 48 -12.852 23.218 15.111 386 2HD2 LEU 48 2HD2 LEU 48 -13.516 23.739 16.660 387 3HD2 LEU 48 3HD2 LEU 48 -14.597 23.377 15.314 388 H GLU 49 H GLU 49 -13.260 23.703 11.034 389 HA GLU 49 HA GLU 49 -13.582 25.706 9.031 390 1HB GLU 49 1HB GLU 49 -13.057 22.721 8.855 391 2HB GLU 49 2HB GLU 49 -12.774 23.866 7.544 392 1HG GLU 49 1HG GLU 49 -11.536 24.264 10.268 393 2HG GLU 49 2HG GLU 49 -10.760 23.256 9.047 394 H LYS 50 H LYS 50 -15.663 23.071 10.028 395 HA LYS 50 HA LYS 50 -17.288 23.000 7.614 396 1HB LYS 50 1HB LYS 50 -17.631 22.042 10.470 397 2HB LYS 50 2HB LYS 50 -18.792 21.690 9.191 398 1HG LYS 50 1HG LYS 50 -15.845 21.037 8.957 399 2HG LYS 50 2HG LYS 50 -17.030 19.894 9.589 400 1HD LYS 50 1HD LYS 50 -18.350 20.351 7.417 401 2HD LYS 50 2HD LYS 50 -16.858 21.073 6.815 402 1HE LYS 50 1HE LYS 50 -15.659 18.933 7.337 403 2HE LYS 50 2HE LYS 50 -17.215 18.218 7.802 404 1HZ LYS 50 1HZ LYS 50 -18.072 18.918 5.597 405 2HZ LYS 50 2HZ LYS 50 -16.501 19.398 5.164 406 3HZ LYS 50 3HZ LYS 50 -16.828 17.765 5.486 407 H GLU 51 H GLU 51 -17.553 24.600 10.788 408 HA GLU 51 HA GLU 51 -20.171 25.647 10.573 409 1HB GLU 51 1HB GLU 51 -17.618 26.702 11.823 410 2HB GLU 51 2HB GLU 51 -19.204 27.415 12.119 411 1HG GLU 51 1HG GLU 51 -20.029 25.281 12.998 412 2HG GLU 51 2HG GLU 51 -18.481 24.515 12.639 413 H ALA 52 H ALA 52 -17.219 26.604 8.949 414 HA ALA 52 HA ALA 52 -18.178 29.237 8.128 415 1HB ALA 52 1HB ALA 52 -15.767 28.217 8.430 416 2HB ALA 52 2HB ALA 52 -16.058 29.390 7.146 417 3HB ALA 52 3HB ALA 52 -16.002 27.667 6.771 418 H LYS 53 H LYS 53 -18.392 25.969 6.889 419 HA LYS 53 HA LYS 53 -19.296 25.123 4.866 420 1HB LYS 53 1HB LYS 53 -21.006 27.581 5.377 421 2HB LYS 53 2HB LYS 53 -21.476 26.190 4.399 422 1HG LYS 53 1HG LYS 53 -21.372 24.727 6.335 423 2HG LYS 53 2HG LYS 53 -20.720 26.028 7.331 424 1HD LYS 53 1HD LYS 53 -22.821 27.328 6.916 425 2HD LYS 53 2HD LYS 53 -23.471 25.931 6.059 426 1HE LYS 53 1HE LYS 53 -23.210 24.557 8.112 427 2HE LYS 53 2HE LYS 53 -22.595 25.982 8.971 428 1HZ LYS 53 1HZ LYS 53 -25.145 26.075 7.476 429 2HZ LYS 53 2HZ LYS 53 -25.104 25.511 9.076 430 3HZ LYS 53 3HZ LYS 53 -24.609 27.097 8.722 431 H SER 54 H SER 54 -17.006 26.494 4.231 432 HA SER 54 HA SER 54 -17.712 28.436 2.079 433 1HB SER 54 1HB SER 54 -16.000 28.894 3.900 434 2HB SER 54 2HB SER 54 -15.003 27.630 3.178 435 HG SER 54 HG SER 54 -14.677 29.907 2.474 436 H GLN 55 H GLN 55 -18.361 27.056 0.365 437 HA GLN 55 HA GLN 55 -18.060 25.555 -1.438 438 1HB GLN 55 1HB GLN 55 -15.212 26.351 -0.754 439 2HB GLN 55 2HB GLN 55 -15.676 25.524 -2.241 440 1HG GLN 55 1HG GLN 55 -17.218 27.401 -2.775 441 2HG GLN 55 2HG GLN 55 -16.677 28.236 -1.319 442 2HE2 GLN 55 2HE2 GLN 55 -15.869 29.973 -2.835 443 1HE2 GLN 55 1HE2 GLN 55 -14.380 29.753 -3.619 No H/Q in entry = 443 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -29.081 17.461 15.119 2 H2 LYS 1 H2 LYS 1 -28.072 18.137 13.931 3 H3 LYS 1 H3 LYS 1 -29.728 17.939 13.623 4 HA LYS 1 HA LYS 1 -29.558 15.622 13.431 5 1HB LYS 1 1HB LYS 1 -27.114 17.024 12.301 6 2HB LYS 1 2HB LYS 1 -27.713 15.463 11.743 7 1HG LYS 1 1HG LYS 1 -29.870 16.502 11.143 8 2HG LYS 1 2HG LYS 1 -29.277 18.063 11.709 9 1HD LYS 1 1HD LYS 1 -27.446 17.950 10.031 10 2HD LYS 1 2HD LYS 1 -28.104 16.423 9.441 11 1HE LYS 1 1HE LYS 1 -30.138 17.495 8.704 12 2HE LYS 1 2HE LYS 1 -29.702 19.006 9.526 13 1HZ LYS 1 1HZ LYS 1 -27.704 19.115 8.142 14 2HZ LYS 1 2HZ LYS 1 -28.176 17.700 7.328 15 3HZ LYS 1 3HZ LYS 1 -29.107 19.111 7.182 16 H ASN 2 H ASN 2 -26.214 16.711 14.152 17 HA ASN 2 HA ASN 2 -25.407 14.151 15.216 18 1HB ASN 2 1HB ASN 2 -24.025 16.071 14.205 19 2HB ASN 2 2HB ASN 2 -24.174 16.856 15.778 20 2HD2 ASN 2 2HD2 ASN 2 -21.825 16.596 16.139 21 1HD2 ASN 2 1HD2 ASN 2 -21.176 15.079 16.539 22 H GLU 3 H GLU 3 -25.619 13.376 17.290 23 HA GLU 3 HA GLU 3 -27.256 14.769 19.230 24 1HB GLU 3 1HB GLU 3 -25.535 12.278 19.233 25 2HB GLU 3 2HB GLU 3 -26.488 12.767 20.635 26 1HG GLU 3 1HG GLU 3 -28.206 11.645 19.684 27 2HG GLU 3 2HG GLU 3 -28.287 12.970 18.523 28 H ASP 4 H ASP 4 -23.813 14.572 18.629 29 HA ASP 4 HA ASP 4 -23.057 15.546 21.297 30 1HB ASP 4 1HB ASP 4 -21.560 15.131 18.690 31 2HB ASP 4 2HB ASP 4 -20.792 15.536 20.225 32 H GLN 5 H GLN 5 -23.526 16.877 18.060 33 HA GLN 5 HA GLN 5 -23.591 19.118 17.308 34 1HB GLN 5 1HB GLN 5 -24.050 19.436 20.292 35 2HB GLN 5 2HB GLN 5 -24.277 20.732 19.119 36 1HG GLN 5 1HG GLN 5 -25.993 19.454 17.965 37 2HG GLN 5 2HG GLN 5 -25.695 18.054 18.995 38 2HE2 GLN 5 2HE2 GLN 5 -28.287 18.991 19.022 39 1HE2 GLN 5 1HE2 GLN 5 -28.613 19.831 20.460 40 H GLU 6 H GLU 6 -22.247 19.956 20.460 41 HA GLU 6 HA GLU 6 -20.012 21.375 19.301 42 1HB GLU 6 1HB GLU 6 -20.645 20.370 22.097 43 2HB GLU 6 2HB GLU 6 -19.329 21.484 21.726 44 1HG GLU 6 1HG GLU 6 -20.943 23.101 20.809 45 2HG GLU 6 2HG GLU 6 -22.265 21.982 21.139 46 H MET 7 H MET 7 -19.664 19.104 18.016 47 HA MET 7 HA MET 7 -18.536 16.809 18.969 48 1HB MET 7 1HB MET 7 -17.688 18.619 16.696 49 2HB MET 7 2HB MET 7 -17.033 16.995 16.902 50 1HG MET 7 1HG MET 7 -19.369 16.101 16.884 51 2HG MET 7 2HG MET 7 -19.953 17.729 16.541 52 1HE MET 7 1HE MET 7 -18.076 14.700 15.579 53 2HE MET 7 2HE MET 7 -19.639 14.553 14.783 54 3HE MET 7 3HE MET 7 -18.157 14.642 13.820 55 H CYS 8 H CYS 8 -17.032 20.005 19.030 56 HA CYS 8 HA CYS 8 -14.512 18.855 20.131 57 1HB CYS 8 1HB CYS 8 -15.398 21.485 18.950 58 2HB CYS 8 2HB CYS 8 -13.888 21.373 19.854 59 H HIS 9 H HIS 9 -14.086 19.009 22.306 60 HA HIS 9 HA HIS 9 -15.683 20.961 23.929 61 1HB HIS 9 1HB HIS 9 -16.583 18.653 24.067 62 2HB HIS 9 2HB HIS 9 -14.996 18.075 24.577 63 HD1 HIS 9 HD1 HIS 9 -16.866 17.453 26.675 64 HD2 HIS 9 HD2 HIS 9 -15.370 21.330 26.356 65 HE1 HIS 9 HE1 HIS 9 -17.202 18.538 28.938 66 H GLU 10 H GLU 10 -12.820 18.818 23.874 67 HA GLU 10 HA GLU 10 -11.516 20.253 26.066 68 1HB GLU 10 1HB GLU 10 -10.856 18.026 24.147 69 2HB GLU 10 2HB GLU 10 -9.595 18.710 25.175 70 1HG GLU 10 1HG GLU 10 -12.206 17.474 26.099 71 2HG GLU 10 2HG GLU 10 -10.590 16.801 26.314 72 H PHE 11 H PHE 11 -11.003 19.977 22.531 73 HA PHE 11 HA PHE 11 -8.765 21.772 22.411 74 1HB PHE 11 1HB PHE 11 -10.855 20.797 20.470 75 2HB PHE 11 2HB PHE 11 -9.563 21.880 19.964 76 HD1 PHE 11 HD1 PHE 11 -7.225 21.153 19.965 77 HD2 PHE 11 HD2 PHE 11 -10.381 18.490 21.148 78 HE1 PHE 11 HE1 PHE 11 -5.676 19.228 19.764 79 HE2 PHE 11 HE2 PHE 11 -8.832 16.567 20.949 80 HZ PHE 11 HZ PHE 11 -6.481 16.936 20.257 81 H GLN 12 H GLN 12 -12.201 22.319 22.699 82 HA GLN 12 HA GLN 12 -12.628 24.800 21.511 83 1HB GLN 12 1HB GLN 12 -14.291 23.487 22.787 84 2HB GLN 12 2HB GLN 12 -13.445 23.870 24.287 85 1HG GLN 12 1HG GLN 12 -13.780 26.341 23.635 86 2HG GLN 12 2HG GLN 12 -14.945 25.746 22.454 87 2HE2 GLN 12 2HE2 GLN 12 -16.195 27.275 24.234 88 1HE2 GLN 12 1HE2 GLN 12 -16.975 26.383 25.450 89 H ALA 13 H ALA 13 -11.161 24.205 24.722 90 HA ALA 13 HA ALA 13 -10.640 26.900 25.432 91 1HB ALA 13 1HB ALA 13 -8.671 25.662 26.673 92 2HB ALA 13 2HB ALA 13 -10.337 25.273 27.098 93 3HB ALA 13 3HB ALA 13 -9.430 24.208 26.024 94 H PHE 14 H PHE 14 -9.207 24.898 22.990 95 HA PHE 14 HA PHE 14 -6.725 26.490 22.824 96 1HB PHE 14 1HB PHE 14 -7.869 24.276 21.092 97 2HB PHE 14 2HB PHE 14 -6.208 24.855 21.068 98 HD1 PHE 14 HD1 PHE 14 -6.758 25.233 24.354 99 HD2 PHE 14 HD2 PHE 14 -6.609 22.034 21.492 100 HE1 PHE 14 HE1 PHE 14 -6.181 23.639 26.165 101 HE2 PHE 14 HE2 PHE 14 -6.034 20.441 23.299 102 HZ PHE 14 HZ PHE 14 -5.819 21.242 25.637 103 H MET 15 H MET 15 -9.681 27.416 22.121 104 HA MET 15 HA MET 15 -9.207 28.252 19.306 105 1HB MET 15 1HB MET 15 -11.582 28.618 19.297 106 2HB MET 15 2HB MET 15 -11.314 27.097 20.139 107 1HG MET 15 1HG MET 15 -11.249 28.594 22.285 108 2HG MET 15 2HG MET 15 -12.068 29.781 21.273 109 1HE MET 15 1HE MET 15 -13.685 30.073 22.545 110 2HE MET 15 2HE MET 15 -15.234 29.416 21.998 111 3HE MET 15 3HE MET 15 -14.539 28.887 23.528 112 H LYS 16 H LYS 16 -8.185 30.210 19.119 113 HA LYS 16 HA LYS 16 -8.442 32.235 21.272 114 1HB LYS 16 1HB LYS 16 -6.237 31.651 20.357 115 2HB LYS 16 2HB LYS 16 -6.785 32.061 18.733 116 1HG LYS 16 1HG LYS 16 -7.263 34.395 19.590 117 2HG LYS 16 2HG LYS 16 -6.458 33.936 21.090 118 1HD LYS 16 1HD LYS 16 -4.431 33.322 19.740 119 2HD LYS 16 2HD LYS 16 -5.240 33.970 18.314 120 1HE LYS 16 1HE LYS 16 -5.401 36.185 19.397 121 2HE LYS 16 2HE LYS 16 -4.603 35.536 20.843 122 1HZ LYS 16 1HZ LYS 16 -3.318 34.992 18.285 123 2HZ LYS 16 2HZ LYS 16 -3.257 36.603 18.810 124 3HZ LYS 16 3HZ LYS 16 -2.621 35.368 19.787 125 H ASN 17 H ASN 17 -10.766 32.678 20.708 126 HA ASN 17 HA ASN 17 -12.358 34.132 19.733 127 1HB ASN 17 1HB ASN 17 -10.219 35.581 19.930 128 2HB ASN 17 2HB ASN 17 -10.030 35.294 18.200 129 2HD2 ASN 17 2HD2 ASN 17 -11.187 37.588 20.237 130 1HD2 ASN 17 1HD2 ASN 17 -12.462 38.209 19.304 131 H GLY 18 H GLY 18 -12.414 31.712 18.568 132 1HA GLY 18 1HA GLY 18 -12.975 32.346 15.754 133 2HA GLY 18 2HA GLY 18 -13.356 30.830 16.569 134 H LYS 19 H LYS 19 -10.163 31.814 17.162 135 HA LYS 19 HA LYS 19 -9.063 30.396 14.789 136 1HB LYS 19 1HB LYS 19 -8.314 32.676 15.815 137 2HB LYS 19 2HB LYS 19 -7.514 31.684 17.035 138 1HG LYS 19 1HG LYS 19 -7.113 31.308 14.055 139 2HG LYS 19 2HG LYS 19 -6.057 32.301 15.057 140 1HD LYS 19 1HD LYS 19 -5.676 30.297 16.526 141 2HD LYS 19 2HD LYS 19 -6.594 29.334 15.368 142 1HE LYS 19 1HE LYS 19 -4.285 31.006 14.395 143 2HE LYS 19 2HE LYS 19 -3.980 29.422 15.134 144 1HZ LYS 19 1HZ LYS 19 -5.833 28.595 13.637 145 2HZ LYS 19 2HZ LYS 19 -5.678 30.058 12.786 146 3HZ LYS 19 3HZ LYS 19 -4.369 28.982 12.866 147 H LEU 20 H LEU 20 -8.902 28.195 15.052 148 HA LEU 20 HA LEU 20 -8.502 27.046 17.756 149 1HB LEU 20 1HB LEU 20 -10.122 26.301 15.839 150 2HB LEU 20 2HB LEU 20 -8.687 25.545 15.149 151 HG LEU 20 HG LEU 20 -9.979 24.984 17.827 152 1HD1 LEU 20 1HD1 LEU 20 -10.588 23.856 15.524 153 2HD1 LEU 20 2HD1 LEU 20 -9.090 22.964 15.791 154 3HD1 LEU 20 3HD1 LEU 20 -10.401 22.858 16.965 155 1HD2 LEU 20 1HD2 LEU 20 -7.229 24.225 16.807 156 2HD2 LEU 20 2HD2 LEU 20 -7.619 25.101 18.288 157 3HD2 LEU 20 3HD2 LEU 20 -8.029 23.391 18.140 158 H PHE 21 H PHE 21 -6.321 27.231 18.338 159 HA PHE 21 HA PHE 21 -4.244 26.606 16.305 160 1HB PHE 21 1HB PHE 21 -2.749 27.301 18.302 161 2HB PHE 21 2HB PHE 21 -3.756 28.548 17.574 162 HD1 PHE 21 HD1 PHE 21 -3.383 26.282 20.481 163 HD2 PHE 21 HD2 PHE 21 -5.606 29.534 18.765 164 HE1 PHE 21 HE1 PHE 21 -4.456 26.705 22.674 165 HE2 PHE 21 HE2 PHE 21 -6.677 29.957 20.963 166 HZ PHE 21 HZ PHE 21 -6.101 28.544 22.915 167 H CYS 22 H CYS 22 -5.365 24.311 16.502 168 HA CYS 22 HA CYS 22 -5.081 22.580 18.673 169 1HB CYS 22 1HB CYS 22 -5.871 22.423 16.081 170 2HB CYS 22 2HB CYS 22 -4.361 21.516 16.002 171 HA PRO 23 HA PRO 23 -0.603 21.503 17.109 172 1HB PRO 23 1HB PRO 23 0.438 23.901 15.906 173 2HB PRO 23 2HB PRO 23 0.212 22.315 15.163 174 1HG PRO 23 1HG PRO 23 -1.292 24.705 14.685 175 2HG PRO 23 2HG PRO 23 -1.544 23.110 13.973 176 1HD PRO 23 1HD PRO 23 -3.159 24.462 15.950 177 2HD PRO 23 2HD PRO 23 -3.455 22.882 15.195 178 H GLN 24 H GLN 24 -0.744 21.862 19.486 179 HA GLN 24 HA GLN 24 0.714 24.335 20.362 180 1HB GLN 24 1HB GLN 24 -1.566 24.347 21.147 181 2HB GLN 24 2HB GLN 24 -1.458 22.660 21.651 182 1HG GLN 24 1HG GLN 24 0.282 23.298 23.314 183 2HG GLN 24 2HG GLN 24 0.086 24.986 22.841 184 2HE2 GLN 24 2HE2 GLN 24 -1.757 22.202 24.169 185 1HE2 GLN 24 1HE2 GLN 24 -2.884 23.152 25.012 186 H ASP 25 H ASP 25 -0.068 21.509 22.308 187 HA ASP 25 HA ASP 25 2.843 20.784 22.370 188 1HB ASP 25 1HB ASP 25 1.579 22.082 24.338 189 2HB ASP 25 2HB ASP 25 1.068 20.446 24.755 190 H LYS 26 H LYS 26 2.012 19.166 20.691 191 HA LYS 26 HA LYS 26 0.100 17.135 21.356 192 1HB LYS 26 1HB LYS 26 2.342 17.509 19.391 193 2HB LYS 26 2HB LYS 26 1.540 15.941 19.497 194 1HG LYS 26 1HG LYS 26 -0.656 17.087 19.181 195 2HG LYS 26 2HG LYS 26 0.203 18.613 18.966 196 1HD LYS 26 1HD LYS 26 1.533 17.338 17.125 197 2HD LYS 26 2HD LYS 26 0.204 16.182 17.184 198 1HE LYS 26 1HE LYS 26 -1.346 18.248 16.923 199 2HE LYS 26 2HE LYS 26 0.120 19.100 16.404 200 1HZ LYS 26 1HZ LYS 26 0.437 16.917 15.013 201 2HZ LYS 26 2HZ LYS 26 -1.248 16.814 15.161 202 3HZ LYS 26 3HZ LYS 26 -0.544 18.175 14.427 203 H LYS 27 H LYS 27 3.143 17.699 22.720 204 HA LYS 27 HA LYS 27 4.496 15.323 23.012 205 1HB LYS 27 1HB LYS 27 3.684 17.357 25.111 206 2HB LYS 27 2HB LYS 27 4.957 16.161 25.343 207 1HG LYS 27 1HG LYS 27 4.946 18.098 23.019 208 2HG LYS 27 2HG LYS 27 5.738 18.456 24.553 209 1HD LYS 27 1HD LYS 27 7.168 16.497 24.322 210 2HD LYS 27 2HD LYS 27 6.314 16.009 22.857 211 1HE LYS 27 1HE LYS 27 6.996 18.336 21.924 212 2HE LYS 27 2HE LYS 27 8.168 18.364 23.256 213 1HZ LYS 27 1HZ LYS 27 8.749 16.022 22.515 214 2HZ LYS 27 2HZ LYS 27 7.902 16.364 21.082 215 3HZ LYS 27 3HZ LYS 27 9.267 17.280 21.498 216 H PHE 28 H PHE 28 1.285 16.050 24.249 217 HA PHE 28 HA PHE 28 0.950 14.116 26.257 218 1HB PHE 28 1HB PHE 28 -0.995 14.892 24.059 219 2HB PHE 28 2HB PHE 28 -1.417 14.283 25.659 220 HD1 PHE 28 HD1 PHE 28 -0.091 15.657 27.632 221 HD2 PHE 28 HD2 PHE 28 -1.212 17.186 23.779 222 HE1 PHE 28 HE1 PHE 28 -0.025 17.969 28.528 223 HE2 PHE 28 HE2 PHE 28 -1.147 19.496 24.674 224 HZ PHE 28 HZ PHE 28 -0.551 19.889 27.046 225 H PHE 29 H PHE 29 1.461 13.651 22.855 226 HA PHE 29 HA PHE 29 0.222 11.223 22.253 227 1HB PHE 29 1HB PHE 29 1.608 12.650 20.752 228 2HB PHE 29 2HB PHE 29 3.053 12.105 21.599 229 HD1 PHE 29 HD1 PHE 29 3.312 9.474 21.796 230 HD2 PHE 29 HD2 PHE 29 0.908 11.482 18.857 231 HE1 PHE 29 HE1 PHE 29 3.397 7.460 20.352 232 HE2 PHE 29 HE2 PHE 29 0.992 9.468 17.413 233 HZ PHE 29 HZ PHE 29 2.237 7.457 18.160 234 H GLN 30 H GLN 30 2.778 11.803 24.545 235 HA GLN 30 HA GLN 30 3.901 9.149 24.630 236 1HB GLN 30 1HB GLN 30 3.786 11.527 26.492 237 2HB GLN 30 2HB GLN 30 4.660 10.056 26.919 238 1HG GLN 30 1HG GLN 30 5.729 10.357 24.527 239 2HG GLN 30 2HG GLN 30 5.230 12.036 24.734 240 2HE2 GLN 30 2HE2 GLN 30 6.637 13.343 25.920 241 1HE2 GLN 30 1HE2 GLN 30 7.878 12.768 26.924 242 H SER 31 H SER 31 0.806 10.170 25.436 243 HA SER 31 HA SER 31 0.475 7.843 27.296 244 1HB SER 31 1HB SER 31 -0.635 10.655 27.572 245 2HB SER 31 2HB SER 31 -1.029 9.308 28.640 246 HG SER 31 HG SER 31 1.298 10.801 28.424 247 H LEU 32 H LEU 32 -1.743 6.988 27.291 248 HA LEU 32 HA LEU 32 -2.946 6.783 24.725 249 1HB LEU 32 1HB LEU 32 -3.111 5.414 26.988 250 2HB LEU 32 2HB LEU 32 -4.515 6.446 27.255 251 HG LEU 32 HG LEU 32 -4.148 4.989 24.642 252 1HD1 LEU 32 1HD1 LEU 32 -5.470 3.938 27.162 253 2HD1 LEU 32 2HD1 LEU 32 -5.576 3.183 25.572 254 3HD1 LEU 32 3HD1 LEU 32 -4.023 3.279 26.399 255 1HD2 LEU 32 1HD2 LEU 32 -6.394 6.306 26.155 256 2HD2 LEU 32 2HD2 LEU 32 -5.875 6.575 24.490 257 3HD2 LEU 32 3HD2 LEU 32 -6.740 5.098 24.917 258 H ASP 33 H ASP 33 -3.942 8.710 27.560 259 HA ASP 33 HA ASP 33 -6.241 9.929 26.435 260 1HB ASP 33 1HB ASP 33 -5.284 9.954 28.830 261 2HB ASP 33 2HB ASP 33 -4.251 11.273 28.279 262 H GLY 34 H GLY 34 -2.810 10.831 26.266 263 1HA GLY 34 1HA GLY 34 -1.718 12.426 24.921 264 2HA GLY 34 2HA GLY 34 -3.261 13.266 24.773 265 H ILE 35 H ILE 35 -2.350 9.945 23.884 266 HA ILE 35 HA ILE 35 -2.135 10.292 21.084 267 HB ILE 35 HB ILE 35 -2.911 8.058 22.949 268 1HG1 ILE 35 1HG1 ILE 35 -0.554 8.668 22.780 269 2HG1 ILE 35 2HG1 ILE 35 -0.803 7.100 22.009 270 1HG2 ILE 35 1HG2 ILE 35 -3.019 8.035 19.926 271 2HG2 ILE 35 2HG2 ILE 35 -2.759 6.562 20.862 272 3HG2 ILE 35 3HG2 ILE 35 -4.249 7.484 21.064 273 1HD1 ILE 35 1HD1 ILE 35 -1.269 8.830 19.925 274 2HD1 ILE 35 2HD1 ILE 35 -0.004 9.675 20.817 275 3HD1 ILE 35 3HD1 ILE 35 0.273 8.034 20.236 276 H MET 36 H MET 36 -4.974 9.845 23.156 277 HA MET 36 HA MET 36 -6.889 9.584 20.998 278 1HB MET 36 1HB MET 36 -6.819 9.894 23.927 279 2HB MET 36 2HB MET 36 -8.241 10.607 23.163 280 1HG MET 36 1HG MET 36 -8.646 8.458 21.975 281 2HG MET 36 2HG MET 36 -7.268 7.753 22.820 282 1HE MET 36 1HE MET 36 -8.310 5.934 23.718 283 2HE MET 36 2HE MET 36 -9.605 5.847 24.909 284 3HE MET 36 3HE MET 36 -9.992 6.159 23.218 285 H PHE 37 H PHE 37 -6.484 12.311 23.303 286 HA PHE 37 HA PHE 37 -7.969 14.230 21.935 287 1HB PHE 37 1HB PHE 37 -7.209 15.342 23.754 288 2HB PHE 37 2HB PHE 37 -6.010 14.080 24.028 289 HD1 PHE 37 HD1 PHE 37 -3.715 14.317 23.203 290 HD2 PHE 37 HD2 PHE 37 -6.636 17.400 22.582 291 HE1 PHE 37 HE1 PHE 37 -1.913 15.891 22.565 292 HE2 PHE 37 HE2 PHE 37 -4.832 18.978 21.942 293 HZ PHE 37 HZ PHE 37 -2.472 18.218 21.932 294 H ILE 38 H ILE 38 -4.459 13.588 21.499 295 HA ILE 38 HA ILE 38 -3.892 15.376 19.429 296 HB ILE 38 HB ILE 38 -3.006 12.540 20.003 297 1HG1 ILE 38 1HG1 ILE 38 -1.822 15.290 20.471 298 2HG1 ILE 38 2HG1 ILE 38 -2.360 14.141 21.693 299 1HG2 ILE 38 1HG2 ILE 38 -2.689 13.055 17.589 300 2HG2 ILE 38 2HG2 ILE 38 -1.789 14.504 18.035 301 3HG2 ILE 38 3HG2 ILE 38 -1.151 12.911 18.441 302 1HD1 ILE 38 1HD1 ILE 38 -0.443 12.894 19.918 303 2HD1 ILE 38 2HD1 ILE 38 0.230 14.370 20.610 304 3HD1 ILE 38 3HD1 ILE 38 -0.367 13.092 21.668 305 H ASN 39 H ASN 39 -5.489 12.209 19.250 306 HA ASN 39 HA ASN 39 -5.690 12.142 16.361 307 1HB ASN 39 1HB ASN 39 -7.253 10.811 18.599 308 2HB ASN 39 2HB ASN 39 -7.372 10.355 16.900 309 2HD2 ASN 39 2HD2 ASN 39 -6.402 8.556 18.965 310 1HD2 ASN 39 1HD2 ASN 39 -4.770 8.225 18.631 311 H LYS 40 H LYS 40 -7.694 13.392 18.980 312 HA LYS 40 HA LYS 40 -9.941 14.097 17.231 313 1HB LYS 40 1HB LYS 40 -10.038 13.448 19.681 314 2HB LYS 40 2HB LYS 40 -9.273 14.991 20.054 315 1HG LYS 40 1HG LYS 40 -11.161 16.112 18.775 316 2HG LYS 40 2HG LYS 40 -11.960 14.540 18.731 317 1HD LYS 40 1HD LYS 40 -12.126 14.454 21.116 318 2HD LYS 40 2HD LYS 40 -11.020 15.815 21.310 319 1HE LYS 40 1HE LYS 40 -12.649 17.351 20.357 320 2HE LYS 40 2HE LYS 40 -13.730 16.006 19.943 321 1HZ LYS 40 1HZ LYS 40 -13.325 15.470 22.488 322 2HZ LYS 40 2HZ LYS 40 -13.095 17.152 22.563 323 3HZ LYS 40 3HZ LYS 40 -14.562 16.523 21.988 324 H CYS 41 H CYS 41 -6.916 15.474 18.097 325 HA CYS 41 HA CYS 41 -7.492 18.275 18.000 326 1HB CYS 41 1HB CYS 41 -5.393 17.439 18.827 327 2HB CYS 41 2HB CYS 41 -5.083 16.562 17.333 328 H ALA 42 H ALA 42 -5.807 16.430 15.466 329 HA ALA 42 HA ALA 42 -6.165 18.227 13.343 330 1HB ALA 42 1HB ALA 42 -6.130 15.191 13.359 331 2HB ALA 42 2HB ALA 42 -5.825 16.190 11.938 332 3HB ALA 42 3HB ALA 42 -4.716 16.245 13.307 333 H THR 43 H THR 43 -8.442 15.891 14.685 334 HA THR 43 HA THR 43 -10.370 16.140 12.501 335 HB THR 43 HB THR 43 -10.600 15.079 15.339 336 HG1 THR 43 HG1 THR 43 -9.050 14.207 13.595 337 1HG2 THR 43 1HG2 THR 43 -12.642 15.613 13.603 338 2HG2 THR 43 2HG2 THR 43 -12.243 13.953 13.161 339 3HG2 THR 43 3HG2 THR 43 -12.687 14.340 14.824 340 H CYS 44 H CYS 44 -10.333 17.196 15.926 341 HA CYS 44 HA CYS 44 -12.672 18.691 16.041 342 1HB CYS 44 1HB CYS 44 -11.026 18.279 17.870 343 2HB CYS 44 2HB CYS 44 -9.933 19.442 17.120 344 H LYS 45 H LYS 45 -9.608 19.545 14.489 345 HA LYS 45 HA LYS 45 -10.107 22.302 13.977 346 1HB LYS 45 1HB LYS 45 -7.934 21.245 13.699 347 2HB LYS 45 2HB LYS 45 -8.577 20.164 12.463 348 1HG LYS 45 1HG LYS 45 -9.276 22.525 11.367 349 2HG LYS 45 2HG LYS 45 -7.855 23.047 12.273 350 1HD LYS 45 1HD LYS 45 -6.648 21.036 11.223 351 2HD LYS 45 2HD LYS 45 -8.022 20.931 10.121 352 1HE LYS 45 1HE LYS 45 -7.611 23.175 9.291 353 2HE LYS 45 2HE LYS 45 -6.364 23.448 10.522 354 1HZ LYS 45 1HZ LYS 45 -6.097 21.034 8.913 355 2HZ LYS 45 2HZ LYS 45 -5.820 22.498 8.094 356 3HZ LYS 45 3HZ LYS 45 -4.901 22.101 9.468 357 H MET 46 H MET 46 -10.801 19.423 11.945 358 HA MET 46 HA MET 46 -11.976 20.838 9.766 359 1HB MET 46 1HB MET 46 -12.783 18.652 9.136 360 2HB MET 46 2HB MET 46 -11.215 18.426 9.908 361 1HG MET 46 1HG MET 46 -12.144 17.098 11.459 362 2HG MET 46 2HG MET 46 -13.250 18.385 11.928 363 1HE MET 46 1HE MET 46 -12.517 15.361 9.749 364 2HE MET 46 2HE MET 46 -13.913 15.201 8.686 365 3HE MET 46 3HE MET 46 -12.788 16.550 8.477 366 H ILE 47 H ILE 47 -13.153 20.089 12.937 367 HA ILE 47 HA ILE 47 -15.990 20.255 12.410 368 HB ILE 47 HB ILE 47 -14.426 20.894 14.933 369 1HG1 ILE 47 1HG1 ILE 47 -13.670 18.746 14.136 370 2HG1 ILE 47 2HG1 ILE 47 -14.824 18.445 15.436 371 1HG2 ILE 47 1HG2 ILE 47 -17.072 21.216 14.525 372 2HG2 ILE 47 2HG2 ILE 47 -17.056 19.503 14.942 373 3HG2 ILE 47 3HG2 ILE 47 -16.409 20.691 16.072 374 1HD1 ILE 47 1HD1 ILE 47 -15.481 18.407 12.473 375 2HD1 ILE 47 2HD1 ILE 47 -15.249 16.978 13.482 376 3HD1 ILE 47 3HD1 ILE 47 -16.607 18.062 13.786 377 H LEU 48 H LEU 48 -13.457 22.613 13.128 378 HA LEU 48 HA LEU 48 -15.255 24.856 13.568 379 1HB LEU 48 1HB LEU 48 -12.313 24.424 13.070 380 2HB LEU 48 2HB LEU 48 -12.974 26.058 13.108 381 HG LEU 48 HG LEU 48 -12.202 25.497 15.337 382 1HD1 LEU 48 1HD1 LEU 48 -14.679 26.452 14.777 383 2HD1 LEU 48 2HD1 LEU 48 -15.106 25.036 15.738 384 3HD1 LEU 48 3HD1 LEU 48 -14.059 26.281 16.420 385 1HD2 LEU 48 1HD2 LEU 48 -12.302 23.022 15.005 386 2HD2 LEU 48 2HD2 LEU 48 -13.013 23.537 16.535 387 3HD2 LEU 48 3HD2 LEU 48 -14.056 23.102 15.180 388 H GLU 49 H GLU 49 -13.325 23.669 10.804 389 HA GLU 49 HA GLU 49 -14.090 25.833 9.027 390 1HB GLU 49 1HB GLU 49 -12.991 24.422 7.360 391 2HB GLU 49 2HB GLU 49 -12.057 24.379 8.856 392 1HG GLU 49 1HG GLU 49 -13.136 22.257 9.478 393 2HG GLU 49 2HG GLU 49 -14.094 22.300 7.999 394 H LYS 50 H LYS 50 -15.488 22.728 9.884 395 HA LYS 50 HA LYS 50 -17.199 22.269 7.675 396 1HB LYS 50 1HB LYS 50 -16.962 21.528 10.515 397 2HB LYS 50 2HB LYS 50 -18.611 21.439 9.897 398 1HG LYS 50 1HG LYS 50 -17.383 20.245 7.848 399 2HG LYS 50 2HG LYS 50 -16.195 19.872 9.097 400 1HD LYS 50 1HD LYS 50 -17.575 18.085 9.472 401 2HD LYS 50 2HD LYS 50 -18.472 19.262 10.430 402 1HE LYS 50 1HE LYS 50 -20.009 19.686 8.617 403 2HE LYS 50 2HE LYS 50 -19.011 18.754 7.484 404 1HZ LYS 50 1HZ LYS 50 -19.279 16.851 9.100 405 2HZ LYS 50 2HZ LYS 50 -20.495 17.765 9.859 406 3HZ LYS 50 3HZ LYS 50 -20.679 17.278 8.242 407 H GLU 51 H GLU 51 -17.695 24.294 10.569 408 HA GLU 51 HA GLU 51 -20.408 25.027 10.071 409 1HB GLU 51 1HB GLU 51 -18.078 26.379 11.458 410 2HB GLU 51 2HB GLU 51 -19.730 26.992 11.540 411 1HG GLU 51 1HG GLU 51 -20.509 25.014 12.633 412 2HG GLU 51 2HG GLU 51 -19.016 24.146 12.278 413 H ALA 52 H ALA 52 -17.406 26.101 8.628 414 HA ALA 52 HA ALA 52 -18.465 28.589 7.528 415 1HB ALA 52 1HB ALA 52 -15.986 27.279 7.882 416 2HB ALA 52 2HB ALA 52 -16.180 27.472 6.140 417 3HB ALA 52 3HB ALA 52 -16.248 28.884 7.196 418 H LYS 53 H LYS 53 -18.797 28.941 5.199 419 HA LYS 53 HA LYS 53 -20.504 27.079 3.923 420 1HB LYS 53 1HB LYS 53 -20.246 29.527 3.464 421 2HB LYS 53 2HB LYS 53 -18.705 29.185 2.679 422 1HG LYS 53 1HG LYS 53 -19.917 27.640 1.113 423 2HG LYS 53 2HG LYS 53 -21.436 28.171 1.836 424 1HD LYS 53 1HD LYS 53 -20.920 30.503 1.201 425 2HD LYS 53 2HD LYS 53 -19.409 29.966 0.468 426 1HE LYS 53 1HE LYS 53 -20.669 28.557 -1.125 427 2HE LYS 53 2HE LYS 53 -22.193 29.082 -0.384 428 1HZ LYS 53 1HZ LYS 53 -20.243 31.126 -1.181 429 2HZ LYS 53 2HZ LYS 53 -21.156 30.385 -2.407 430 3HZ LYS 53 3HZ LYS 53 -21.939 31.210 -1.149 431 H SER 54 H SER 54 -17.009 27.254 4.006 432 HA SER 54 HA SER 54 -15.354 25.958 2.906 433 1HB SER 54 1HB SER 54 -17.648 23.994 3.227 434 2HB SER 54 2HB SER 54 -15.956 23.554 2.998 435 HG SER 54 HG SER 54 -17.250 24.326 5.245 436 H GLN 55 H GLN 55 -16.863 27.513 1.058 437 HA GLN 55 HA GLN 55 -18.032 26.057 -1.095 438 1HB GLN 55 1HB GLN 55 -18.196 28.490 -0.732 439 2HB GLN 55 2HB GLN 55 -16.469 28.660 -1.048 440 1HG GLN 55 1HG GLN 55 -16.853 27.682 -3.327 441 2HG GLN 55 2HG GLN 55 -18.584 27.702 -2.998 442 2HE2 GLN 55 2HE2 GLN 55 -18.896 29.301 -4.752 443 1HE2 GLN 55 1HE2 GLN 55 -18.458 30.925 -4.523 No H/Q in entry = 443 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -24.797 22.795 11.524 2 H2 LYS 1 H2 LYS 1 -26.481 22.966 11.384 3 H3 LYS 1 H3 LYS 1 -25.508 24.334 11.627 4 HA LYS 1 HA LYS 1 -25.276 23.974 13.848 5 1HB LYS 1 1HB LYS 1 -27.685 24.108 13.168 6 2HB LYS 1 2HB LYS 1 -27.741 22.346 13.146 7 1HG LYS 1 1HG LYS 1 -28.540 22.885 15.296 8 2HG LYS 1 2HG LYS 1 -26.841 22.510 15.580 9 1HD LYS 1 1HD LYS 1 -26.320 24.948 15.405 10 2HD LYS 1 2HD LYS 1 -28.048 25.274 15.253 11 1HE LYS 1 1HE LYS 1 -28.465 24.319 17.467 12 2HE LYS 1 2HE LYS 1 -26.758 23.857 17.615 13 1HZ LYS 1 1HZ LYS 1 -27.780 26.623 17.204 14 2HZ LYS 1 2HZ LYS 1 -27.188 26.006 18.672 15 3HZ LYS 1 3HZ LYS 1 -26.145 26.182 17.346 16 H ASN 2 H ASN 2 -23.394 22.615 14.102 17 HA ASN 2 HA ASN 2 -22.225 20.602 14.574 18 1HB ASN 2 1HB ASN 2 -24.896 20.301 15.984 19 2HB ASN 2 2HB ASN 2 -23.470 19.329 16.347 20 2HD2 ASN 2 2HD2 ASN 2 -24.947 21.470 17.995 21 1HD2 ASN 2 1HD2 ASN 2 -23.724 22.552 18.455 22 H GLU 3 H GLU 3 -22.776 20.145 12.093 23 HA GLU 3 HA GLU 3 -24.756 18.045 11.606 24 1HB GLU 3 1HB GLU 3 -22.487 19.190 9.945 25 2HB GLU 3 2HB GLU 3 -23.785 18.169 9.326 26 1HG GLU 3 1HG GLU 3 -25.451 19.834 9.912 27 2HG GLU 3 2HG GLU 3 -24.236 20.821 10.724 28 H ASP 4 H ASP 4 -21.566 18.110 12.821 29 HA ASP 4 HA ASP 4 -20.745 15.498 11.747 30 1HB ASP 4 1HB ASP 4 -19.661 17.555 13.669 31 2HB ASP 4 2HB ASP 4 -18.887 15.979 13.515 32 H GLN 5 H GLN 5 -22.319 16.760 14.613 33 HA GLN 5 HA GLN 5 -23.482 15.578 16.304 34 1HB GLN 5 1HB GLN 5 -23.326 13.832 14.193 35 2HB GLN 5 2HB GLN 5 -22.510 12.925 15.467 36 1HG GLN 5 1HG GLN 5 -24.424 13.173 16.943 37 2HG GLN 5 2HG GLN 5 -25.223 14.242 15.790 38 2HE2 GLN 5 2HE2 GLN 5 -25.858 11.375 16.873 39 1HE2 GLN 5 1HE2 GLN 5 -26.185 10.493 15.461 40 H GLU 6 H GLU 6 -20.308 14.129 15.518 41 HA GLU 6 HA GLU 6 -19.474 13.015 17.872 42 1HB GLU 6 1HB GLU 6 -17.961 15.004 16.148 43 2HB GLU 6 2HB GLU 6 -17.212 13.849 17.249 44 1HG GLU 6 1HG GLU 6 -18.445 12.024 15.956 45 2HG GLU 6 2HG GLU 6 -18.822 13.260 14.755 46 H MET 7 H MET 7 -20.003 16.445 17.295 47 HA MET 7 HA MET 7 -19.951 18.295 18.765 48 1HB MET 7 1HB MET 7 -20.752 15.887 20.382 49 2HB MET 7 2HB MET 7 -20.596 17.456 21.171 50 1HG MET 7 1HG MET 7 -22.229 18.440 19.683 51 2HG MET 7 2HG MET 7 -22.271 16.983 18.689 52 1HE MET 7 1HE MET 7 -24.252 16.462 18.511 53 2HE MET 7 2HE MET 7 -25.290 15.610 19.663 54 3HE MET 7 3HE MET 7 -25.378 17.363 19.523 55 H CYS 8 H CYS 8 -17.368 17.092 18.209 56 HA CYS 8 HA CYS 8 -15.694 16.438 20.321 57 1HB CYS 8 1HB CYS 8 -14.990 16.611 17.990 58 2HB CYS 8 2HB CYS 8 -15.245 18.356 18.010 59 H HIS 9 H HIS 9 -15.577 19.805 19.187 60 HA HIS 9 HA HIS 9 -15.237 21.795 20.427 61 1HB HIS 9 1HB HIS 9 -17.364 20.239 21.917 62 2HB HIS 9 2HB HIS 9 -16.940 21.896 22.345 63 HD1 HIS 9 HD1 HIS 9 -18.831 19.895 19.877 64 HD2 HIS 9 HD2 HIS 9 -17.467 23.820 20.207 65 HE1 HIS 9 HE1 HIS 9 -20.071 21.234 18.122 66 H GLU 10 H GLU 10 -13.608 19.300 21.159 67 HA GLU 10 HA GLU 10 -13.139 19.619 24.054 68 1HB GLU 10 1HB GLU 10 -13.074 17.407 23.079 69 2HB GLU 10 2HB GLU 10 -11.936 17.934 21.840 70 1HG GLU 10 1HG GLU 10 -10.251 18.394 23.592 71 2HG GLU 10 2HG GLU 10 -11.389 17.850 24.823 72 H PHE 11 H PHE 11 -11.779 20.729 21.027 73 HA PHE 11 HA PHE 11 -9.314 21.706 22.381 74 1HB PHE 11 1HB PHE 11 -10.284 21.334 19.555 75 2HB PHE 11 2HB PHE 11 -8.888 22.356 19.882 76 HD1 PHE 11 HD1 PHE 11 -10.212 19.009 20.982 77 HD2 PHE 11 HD2 PHE 11 -6.808 21.326 19.759 78 HE1 PHE 11 HE1 PHE 11 -8.780 16.997 21.159 79 HE2 PHE 11 HE2 PHE 11 -5.373 19.310 19.940 80 HZ PHE 11 HZ PHE 11 -6.361 17.149 20.640 81 H GLN 12 H GLN 12 -12.434 22.800 21.819 82 HA GLN 12 HA GLN 12 -12.337 25.373 20.791 83 1HB GLN 12 1HB GLN 12 -14.280 24.073 21.800 84 2HB GLN 12 2HB GLN 12 -13.713 24.607 23.383 85 1HG GLN 12 1HG GLN 12 -13.989 26.941 22.747 86 2HG GLN 12 2HG GLN 12 -14.410 26.477 21.098 87 2HE2 GLN 12 2HE2 GLN 12 -16.156 27.984 22.927 88 1HE2 GLN 12 1HE2 GLN 12 -17.535 27.029 23.186 89 H ALA 13 H ALA 13 -11.403 24.378 24.093 90 HA ALA 13 HA ALA 13 -10.791 26.913 25.179 91 1HB ALA 13 1HB ALA 13 -9.365 25.597 26.696 92 2HB ALA 13 2HB ALA 13 -9.369 24.255 25.553 93 3HB ALA 13 3HB ALA 13 -10.862 24.724 26.368 94 H PHE 14 H PHE 14 -9.106 25.002 22.789 95 HA PHE 14 HA PHE 14 -6.627 26.599 23.001 96 1HB PHE 14 1HB PHE 14 -7.424 24.478 20.992 97 2HB PHE 14 2HB PHE 14 -5.795 24.961 21.454 98 HD1 PHE 14 HD1 PHE 14 -6.390 25.230 24.464 99 HD2 PHE 14 HD2 PHE 14 -7.233 22.143 21.599 100 HE1 PHE 14 HE1 PHE 14 -6.402 23.544 26.283 101 HE2 PHE 14 HE2 PHE 14 -7.244 20.457 23.418 102 HZ PHE 14 HZ PHE 14 -6.828 21.158 25.761 103 H MET 15 H MET 15 -9.460 27.538 21.926 104 HA MET 15 HA MET 15 -8.689 28.334 19.182 105 1HB MET 15 1HB MET 15 -10.999 28.806 18.945 106 2HB MET 15 2HB MET 15 -10.960 27.395 19.992 107 1HG MET 15 1HG MET 15 -11.037 28.986 21.964 108 2HG MET 15 2HG MET 15 -11.343 30.284 20.809 109 1HE MET 15 1HE MET 15 -13.002 30.329 19.144 110 2HE MET 15 2HE MET 15 -13.306 28.683 18.572 111 3HE MET 15 3HE MET 15 -14.624 29.647 19.235 112 H LYS 16 H LYS 16 -7.925 30.378 18.742 113 HA LYS 16 HA LYS 16 -7.919 32.375 20.968 114 1HB LYS 16 1HB LYS 16 -5.748 31.692 20.089 115 2HB LYS 16 2HB LYS 16 -6.271 32.041 18.441 116 1HG LYS 16 1HG LYS 16 -6.580 34.429 19.079 117 2HG LYS 16 2HG LYS 16 -5.968 34.057 20.689 118 1HD LYS 16 1HD LYS 16 -3.856 33.215 19.619 119 2HD LYS 16 2HD LYS 16 -4.469 33.789 18.068 120 1HE LYS 16 1HE LYS 16 -2.958 35.461 19.150 121 2HE LYS 16 2HE LYS 16 -4.606 36.092 18.973 122 1HZ LYS 16 1HZ LYS 16 -3.867 34.556 21.378 123 2HZ LYS 16 2HZ LYS 16 -3.442 36.197 21.280 124 3HZ LYS 16 3HZ LYS 16 -5.073 35.738 21.192 125 H ASN 17 H ASN 17 -10.247 32.872 20.356 126 HA ASN 17 HA ASN 17 -11.744 34.447 19.415 127 1HB ASN 17 1HB ASN 17 -9.493 35.754 19.560 128 2HB ASN 17 2HB ASN 17 -9.402 35.481 17.819 129 2HD2 ASN 17 2HD2 ASN 17 -10.339 37.801 19.948 130 1HD2 ASN 17 1HD2 ASN 17 -11.609 38.515 19.079 131 H GLY 18 H GLY 18 -11.923 32.010 18.261 132 1HA GLY 18 1HA GLY 18 -12.408 32.683 15.421 133 2HA GLY 18 2HA GLY 18 -13.021 31.261 16.264 134 H LYS 19 H LYS 19 -9.656 32.213 16.486 135 HA LYS 19 HA LYS 19 -8.802 30.298 14.406 136 1HB LYS 19 1HB LYS 19 -7.798 32.606 15.010 137 2HB LYS 19 2HB LYS 19 -7.089 31.788 16.403 138 1HG LYS 19 1HG LYS 19 -6.750 30.471 13.752 139 2HG LYS 19 2HG LYS 19 -5.823 31.945 14.033 140 1HD LYS 19 1HD LYS 19 -4.978 30.954 16.166 141 2HD LYS 19 2HD LYS 19 -5.826 29.459 15.774 142 1HE LYS 19 1HE LYS 19 -3.555 29.163 15.019 143 2HE LYS 19 2HE LYS 19 -4.511 29.477 13.560 144 1HZ LYS 19 1HZ LYS 19 -3.387 31.723 15.105 145 2HZ LYS 19 2HZ LYS 19 -2.394 30.885 14.010 146 3HZ LYS 19 3HZ LYS 19 -3.802 31.662 13.462 147 H LEU 20 H LEU 20 -7.557 28.391 14.900 148 HA LEU 20 HA LEU 20 -7.734 27.501 17.763 149 1HB LEU 20 1HB LEU 20 -9.372 26.307 16.515 150 2HB LEU 20 2HB LEU 20 -8.289 26.106 15.139 151 HG LEU 20 HG LEU 20 -6.801 24.706 16.632 152 1HD1 LEU 20 1HD1 LEU 20 -8.965 25.441 18.522 153 2HD1 LEU 20 2HD1 LEU 20 -8.444 23.757 18.576 154 3HD1 LEU 20 3HD1 LEU 20 -7.276 25.052 18.843 155 1HD2 LEU 20 1HD2 LEU 20 -8.622 23.837 15.031 156 2HD2 LEU 20 2HD2 LEU 20 -8.072 22.727 16.286 157 3HD2 LEU 20 3HD2 LEU 20 -9.603 23.583 16.476 158 H PHE 21 H PHE 21 -5.682 27.271 18.568 159 HA PHE 21 HA PHE 21 -3.452 26.706 16.675 160 1HB PHE 21 1HB PHE 21 -2.132 27.190 18.875 161 2HB PHE 21 2HB PHE 21 -2.938 28.531 18.069 162 HD1 PHE 21 HD1 PHE 21 -3.148 26.148 20.904 163 HD2 PHE 21 HD2 PHE 21 -4.807 29.659 19.067 164 HE1 PHE 21 HE1 PHE 21 -4.456 26.607 22.961 165 HE2 PHE 21 HE2 PHE 21 -6.113 30.118 21.123 166 HZ PHE 21 HZ PHE 21 -5.938 28.593 23.071 167 H CYS 22 H CYS 22 -4.584 24.451 16.587 168 HA CYS 22 HA CYS 22 -4.664 22.566 18.631 169 1HB CYS 22 1HB CYS 22 -4.882 22.630 15.881 170 2HB CYS 22 2HB CYS 22 -3.489 21.577 16.125 171 HA PRO 23 HA PRO 23 0.008 21.507 17.789 172 1HB PRO 23 1HB PRO 23 1.247 23.948 16.897 173 2HB PRO 23 2HB PRO 23 1.141 22.403 16.049 174 1HG PRO 23 1HG PRO 23 -0.256 24.833 15.451 175 2HG PRO 23 2HG PRO 23 -0.389 23.278 14.626 176 1HD PRO 23 1HD PRO 23 -2.312 24.546 16.366 177 2HD PRO 23 2HD PRO 23 -2.476 23.000 15.503 178 H GLN 24 H GLN 24 -0.540 21.758 20.125 179 HA GLN 24 HA GLN 24 0.668 24.203 21.372 180 1HB GLN 24 1HB GLN 24 -1.616 24.051 21.969 181 2HB GLN 24 2HB GLN 24 -1.550 22.294 22.104 182 1HG GLN 24 1HG GLN 24 -0.298 22.409 24.145 183 2HG GLN 24 2HG GLN 24 0.003 24.133 23.941 184 2HE2 GLN 24 2HE2 GLN 24 -2.850 21.913 24.092 185 1HE2 GLN 24 1HE2 GLN 24 -3.793 22.959 25.038 186 H ASP 25 H ASP 25 -0.045 21.013 22.729 187 HA ASP 25 HA ASP 25 2.882 20.560 23.171 188 1HB ASP 25 1HB ASP 25 0.592 20.742 25.105 189 2HB ASP 25 2HB ASP 25 1.924 19.646 25.472 190 H LYS 26 H LYS 26 1.918 19.222 21.131 191 HA LYS 26 HA LYS 26 0.298 16.947 21.437 192 1HB LYS 26 1HB LYS 26 2.614 17.746 19.706 193 2HB LYS 26 2HB LYS 26 1.972 16.109 19.566 194 1HG LYS 26 1HG LYS 26 -0.314 17.099 19.249 195 2HG LYS 26 2HG LYS 26 0.427 18.699 19.233 196 1HD LYS 26 1HD LYS 26 1.953 17.723 17.364 197 2HD LYS 26 2HD LYS 26 0.725 16.463 17.233 198 1HE LYS 26 1HE LYS 26 -0.980 18.062 16.670 199 2HE LYS 26 2HE LYS 26 0.064 19.425 17.118 200 1HZ LYS 26 1HZ LYS 26 1.093 17.493 15.174 201 2HZ LYS 26 2HZ LYS 26 -0.105 18.568 14.633 202 3HZ LYS 26 3HZ LYS 26 1.347 19.170 15.269 203 H LYS 27 H LYS 27 3.428 17.521 22.799 204 HA LYS 27 HA LYS 27 4.727 15.101 22.975 205 1HB LYS 27 1HB LYS 27 4.126 17.284 24.959 206 2HB LYS 27 2HB LYS 27 5.100 15.897 25.446 207 1HG LYS 27 1HG LYS 27 6.626 16.331 23.529 208 2HG LYS 27 2HG LYS 27 5.675 17.760 23.123 209 1HD LYS 27 1HD LYS 27 6.139 18.650 25.423 210 2HD LYS 27 2HD LYS 27 7.208 17.274 25.694 211 1HE LYS 27 1HE LYS 27 8.476 17.998 23.598 212 2HE LYS 27 2HE LYS 27 7.534 19.500 23.659 213 1HZ LYS 27 1HZ LYS 27 8.833 18.481 26.100 214 2HZ LYS 27 2HZ LYS 27 9.762 19.335 24.963 215 3HZ LYS 27 3HZ LYS 27 8.420 20.075 25.695 216 H PHE 28 H PHE 28 1.608 15.898 24.381 217 HA PHE 28 HA PHE 28 1.288 13.947 26.365 218 1HB PHE 28 1HB PHE 28 -0.686 14.855 24.243 219 2HB PHE 28 2HB PHE 28 -1.104 14.167 25.811 220 HD1 PHE 28 HD1 PHE 28 0.728 15.429 27.667 221 HD2 PHE 28 HD2 PHE 28 -1.278 17.124 24.268 222 HE1 PHE 28 HE1 PHE 28 0.885 17.681 28.696 223 HE2 PHE 28 HE2 PHE 28 -1.120 19.376 25.296 224 HZ PHE 28 HZ PHE 28 -0.039 19.653 27.511 225 H PHE 29 H PHE 29 1.638 13.502 22.931 226 HA PHE 29 HA PHE 29 0.317 11.155 22.300 227 1HB PHE 29 1HB PHE 29 1.888 12.522 20.888 228 2HB PHE 29 2HB PHE 29 3.235 11.761 21.732 229 HD1 PHE 29 HD1 PHE 29 3.254 9.143 21.766 230 HD2 PHE 29 HD2 PHE 29 0.984 11.501 18.984 231 HE1 PHE 29 HE1 PHE 29 3.113 7.199 20.233 232 HE2 PHE 29 HE2 PHE 29 0.842 9.557 17.452 233 HZ PHE 29 HZ PHE 29 1.907 7.406 18.076 234 H GLN 30 H GLN 30 2.955 11.540 24.571 235 HA GLN 30 HA GLN 30 3.781 8.783 24.720 236 1HB GLN 30 1HB GLN 30 4.008 11.273 26.389 237 2HB GLN 30 2HB GLN 30 4.569 9.735 27.046 238 1HG GLN 30 1HG GLN 30 5.732 9.572 24.643 239 2HG GLN 30 2HG GLN 30 5.641 11.329 24.758 240 2HE2 GLN 30 2HE2 GLN 30 7.271 12.331 25.964 241 1HE2 GLN 30 1HE2 GLN 30 8.309 11.527 27.038 242 H SER 31 H SER 31 0.841 10.179 25.564 243 HA SER 31 HA SER 31 0.282 7.955 27.491 244 1HB SER 31 1HB SER 31 0.632 10.006 28.746 245 2HB SER 31 2HB SER 31 -0.445 10.895 27.667 246 HG SER 31 HG SER 31 -1.045 8.991 29.632 247 H LEU 32 H LEU 32 -2.002 7.314 27.511 248 HA LEU 32 HA LEU 32 -3.249 7.128 24.978 249 1HB LEU 32 1HB LEU 32 -3.593 5.836 27.192 250 2HB LEU 32 2HB LEU 32 -4.704 7.138 27.621 251 HG LEU 32 HG LEU 32 -5.831 5.169 26.535 252 1HD1 LEU 32 1HD1 LEU 32 -6.593 7.635 26.403 253 2HD1 LEU 32 2HD1 LEU 32 -5.988 7.596 24.746 254 3HD1 LEU 32 3HD1 LEU 32 -7.289 6.509 25.236 255 1HD2 LEU 32 1HD2 LEU 32 -3.828 4.797 24.966 256 2HD2 LEU 32 2HD2 LEU 32 -5.432 4.649 24.248 257 3HD2 LEU 32 3HD2 LEU 32 -4.486 6.117 24.000 258 H ASP 33 H ASP 33 -3.987 9.334 27.686 259 HA ASP 33 HA ASP 33 -6.127 10.759 26.517 260 1HB ASP 33 1HB ASP 33 -3.865 11.635 28.345 261 2HB ASP 33 2HB ASP 33 -5.326 12.582 28.067 262 H GLY 34 H GLY 34 -2.622 11.170 26.172 263 1HA GLY 34 1HA GLY 34 -1.383 12.489 24.665 264 2HA GLY 34 2HA GLY 34 -2.805 13.516 24.492 265 H ILE 35 H ILE 35 -2.217 10.068 23.820 266 HA ILE 35 HA ILE 35 -2.166 10.173 21.003 267 HB ILE 35 HB ILE 35 -3.057 8.164 23.069 268 1HG1 ILE 35 1HG1 ILE 35 -0.652 8.610 22.767 269 2HG1 ILE 35 2HG1 ILE 35 -1.053 6.978 22.231 270 1HG2 ILE 35 1HG2 ILE 35 -3.044 7.754 20.061 271 2HG2 ILE 35 2HG2 ILE 35 -3.287 6.489 21.265 272 3HG2 ILE 35 3HG2 ILE 35 -4.479 7.777 21.087 273 1HD1 ILE 35 1HD1 ILE 35 -1.448 8.684 19.999 274 2HD1 ILE 35 2HD1 ILE 35 0.102 9.136 20.712 275 3HD1 ILE 35 3HD1 ILE 35 -0.186 7.470 20.212 276 H MET 36 H MET 36 -4.882 10.300 23.255 277 HA MET 36 HA MET 36 -6.941 10.001 21.211 278 1HB MET 36 1HB MET 36 -6.680 10.397 24.094 279 2HB MET 36 2HB MET 36 -8.013 11.330 23.410 280 1HG MET 36 1HG MET 36 -8.751 9.207 22.228 281 2HG MET 36 2HG MET 36 -7.556 8.341 23.196 282 1HE MET 36 1HE MET 36 -10.602 8.735 22.527 283 2HE MET 36 2HE MET 36 -11.180 7.724 23.859 284 3HE MET 36 3HE MET 36 -11.626 9.428 23.782 285 H PHE 37 H PHE 37 -6.202 12.828 23.300 286 HA PHE 37 HA PHE 37 -7.582 14.753 21.806 287 1HB PHE 37 1HB PHE 37 -6.773 15.966 23.532 288 2HB PHE 37 2HB PHE 37 -5.752 14.603 23.977 289 HD1 PHE 37 HD1 PHE 37 -3.432 14.424 22.992 290 HD2 PHE 37 HD2 PHE 37 -5.859 17.937 22.573 291 HE1 PHE 37 HE1 PHE 37 -1.422 15.740 22.388 292 HE2 PHE 37 HE2 PHE 37 -3.851 19.252 21.957 293 HZ PHE 37 HZ PHE 37 -1.634 18.144 21.861 294 H ILE 38 H ILE 38 -4.152 13.741 21.401 295 HA ILE 38 HA ILE 38 -3.471 15.417 19.232 296 HB ILE 38 HB ILE 38 -2.743 12.558 19.937 297 1HG1 ILE 38 1HG1 ILE 38 -1.487 15.268 20.411 298 2HG1 ILE 38 2HG1 ILE 38 -1.993 14.082 21.614 299 1HG2 ILE 38 1HG2 ILE 38 -2.312 13.869 17.477 300 2HG2 ILE 38 2HG2 ILE 38 -0.775 13.953 18.339 301 3HG2 ILE 38 3HG2 ILE 38 -1.535 12.389 18.042 302 1HD1 ILE 38 1HD1 ILE 38 -0.208 12.677 20.000 303 2HD1 ILE 38 2HD1 ILE 38 0.526 14.272 20.159 304 3HD1 ILE 38 3HD1 ILE 38 0.135 13.334 21.600 305 H ASN 39 H ASN 39 -5.291 12.384 19.318 306 HA ASN 39 HA ASN 39 -5.522 12.111 16.429 307 1HB ASN 39 1HB ASN 39 -6.618 10.865 18.918 308 2HB ASN 39 2HB ASN 39 -7.496 10.584 17.414 309 2HD2 ASN 39 2HD2 ASN 39 -3.949 10.963 17.829 310 1HD2 ASN 39 1HD2 ASN 39 -3.561 9.416 17.250 311 H LYS 40 H LYS 40 -7.342 13.708 18.976 312 HA LYS 40 HA LYS 40 -9.649 14.258 17.218 313 1HB LYS 40 1HB LYS 40 -8.848 14.680 20.076 314 2HB LYS 40 2HB LYS 40 -10.150 15.669 19.415 315 1HG LYS 40 1HG LYS 40 -11.422 13.703 18.807 316 2HG LYS 40 2HG LYS 40 -10.076 12.645 19.232 317 1HD LYS 40 1HD LYS 40 -10.534 14.227 21.515 318 2HD LYS 40 2HD LYS 40 -12.134 13.754 20.944 319 1HE LYS 40 1HE LYS 40 -11.299 11.368 20.820 320 2HE LYS 40 2HE LYS 40 -9.813 11.914 21.618 321 1HZ LYS 40 1HZ LYS 40 -12.335 12.809 22.775 322 2HZ LYS 40 2HZ LYS 40 -11.971 11.161 22.969 323 3HZ LYS 40 3HZ LYS 40 -10.898 12.344 23.547 324 H CYS 41 H CYS 41 -6.716 15.815 18.326 325 HA CYS 41 HA CYS 41 -7.139 18.530 18.077 326 1HB CYS 41 1HB CYS 41 -4.970 17.714 18.570 327 2HB CYS 41 2HB CYS 41 -4.940 16.687 17.141 328 H ALA 42 H ALA 42 -5.848 16.780 15.276 329 HA ALA 42 HA ALA 42 -6.733 18.720 13.357 330 1HB ALA 42 1HB ALA 42 -5.123 16.437 13.490 331 2HB ALA 42 2HB ALA 42 -5.388 17.441 12.063 332 3HB ALA 42 3HB ALA 42 -6.386 16.012 12.335 333 H THR 43 H THR 43 -8.219 15.754 14.588 334 HA THR 43 HA THR 43 -10.319 15.600 12.604 335 HB THR 43 HB THR 43 -10.142 14.536 15.442 336 HG1 THR 43 HG1 THR 43 -8.496 14.054 13.641 337 1HG2 THR 43 1HG2 THR 43 -12.409 14.454 14.431 338 2HG2 THR 43 2HG2 THR 43 -11.743 13.570 13.058 339 3HG2 THR 43 3HG2 THR 43 -11.728 12.843 14.665 340 H CYS 44 H CYS 44 -9.862 17.463 15.513 341 HA CYS 44 HA CYS 44 -12.731 18.120 15.779 342 1HB CYS 44 1HB CYS 44 -10.906 17.773 17.619 343 2HB CYS 44 2HB CYS 44 -10.420 19.420 17.217 344 H LYS 45 H LYS 45 -9.668 19.857 15.102 345 HA LYS 45 HA LYS 45 -10.617 22.428 14.591 346 1HB LYS 45 1HB LYS 45 -8.274 21.910 14.508 347 2HB LYS 45 2HB LYS 45 -8.517 20.709 13.240 348 1HG LYS 45 1HG LYS 45 -9.578 23.010 12.115 349 2HG LYS 45 2HG LYS 45 -8.191 23.616 13.019 350 1HD LYS 45 1HD LYS 45 -6.841 21.733 11.942 351 2HD LYS 45 2HD LYS 45 -8.220 21.489 10.869 352 1HE LYS 45 1HE LYS 45 -8.002 23.681 9.931 353 2HE LYS 45 2HE LYS 45 -6.891 24.194 11.215 354 1HZ LYS 45 1HZ LYS 45 -6.376 21.966 9.310 355 2HZ LYS 45 2HZ LYS 45 -5.728 23.525 9.153 356 3HZ LYS 45 3HZ LYS 45 -5.300 22.559 10.484 357 H MET 46 H MET 46 -10.602 19.627 12.380 358 HA MET 46 HA MET 46 -11.694 20.937 10.093 359 1HB MET 46 1HB MET 46 -12.397 18.531 9.562 360 2HB MET 46 2HB MET 46 -10.687 18.763 9.924 361 1HG MET 46 1HG MET 46 -10.890 17.220 11.553 362 2HG MET 46 2HG MET 46 -11.942 18.343 12.416 363 1HE MET 46 1HE MET 46 -11.706 16.253 9.398 364 2HE MET 46 2HE MET 46 -13.112 15.191 9.354 365 3HE MET 46 3HE MET 46 -13.264 16.864 8.823 366 H ILE 47 H ILE 47 -13.190 19.671 13.018 367 HA ILE 47 HA ILE 47 -15.904 19.528 12.141 368 HB ILE 47 HB ILE 47 -14.809 20.330 14.858 369 1HG1 ILE 47 1HG1 ILE 47 -13.658 18.327 14.187 370 2HG1 ILE 47 2HG1 ILE 47 -14.935 17.837 15.297 371 1HG2 ILE 47 1HG2 ILE 47 -17.449 19.513 13.798 372 2HG2 ILE 47 2HG2 ILE 47 -16.959 18.714 15.291 373 3HG2 ILE 47 3HG2 ILE 47 -17.056 20.473 15.224 374 1HD1 ILE 47 1HD1 ILE 47 -15.192 17.807 12.276 375 2HD1 ILE 47 2HD1 ILE 47 -14.801 16.393 13.255 376 3HD1 ILE 47 3HD1 ILE 47 -16.365 17.187 13.440 377 H LEU 48 H LEU 48 -13.936 22.220 13.352 378 HA LEU 48 HA LEU 48 -16.064 24.150 13.545 379 1HB LEU 48 1HB LEU 48 -13.067 24.379 13.114 380 2HB LEU 48 2HB LEU 48 -14.113 25.733 13.545 381 HG LEU 48 HG LEU 48 -14.527 23.425 15.286 382 1HD1 LEU 48 1HD1 LEU 48 -11.763 24.426 14.781 383 2HD1 LEU 48 2HD1 LEU 48 -12.226 24.148 16.460 384 3HD1 LEU 48 3HD1 LEU 48 -12.303 22.827 15.294 385 1HD2 LEU 48 1HD2 LEU 48 -15.235 25.862 15.584 386 2HD2 LEU 48 2HD2 LEU 48 -14.470 25.108 16.983 387 3HD2 LEU 48 3HD2 LEU 48 -13.547 26.207 15.958 388 H GLU 49 H GLU 49 -13.926 23.120 10.908 389 HA GLU 49 HA GLU 49 -14.382 25.202 9.045 390 1HB GLU 49 1HB GLU 49 -14.063 22.205 8.666 391 2HB GLU 49 2HB GLU 49 -13.855 23.403 7.387 392 1HG GLU 49 1HG GLU 49 -12.118 24.513 8.894 393 2HG GLU 49 2HG GLU 49 -12.200 23.066 9.899 394 H LYS 50 H LYS 50 -16.556 22.812 10.276 395 HA LYS 50 HA LYS 50 -18.445 23.038 8.009 396 1HB LYS 50 1HB LYS 50 -18.730 21.647 10.691 397 2HB LYS 50 2HB LYS 50 -19.640 21.313 9.219 398 1HG LYS 50 1HG LYS 50 -16.650 21.106 9.133 399 2HG LYS 50 2HG LYS 50 -17.568 19.804 9.887 400 1HD LYS 50 1HD LYS 50 -18.992 19.742 7.784 401 2HD LYS 50 2HD LYS 50 -17.815 20.831 7.049 402 1HE LYS 50 1HE LYS 50 -16.020 19.127 7.650 403 2HE LYS 50 2HE LYS 50 -17.335 18.016 8.078 404 1HZ LYS 50 1HZ LYS 50 -18.299 18.680 5.818 405 2HZ LYS 50 2HZ LYS 50 -16.747 19.258 5.456 406 3HZ LYS 50 3HZ LYS 50 -16.975 17.614 5.818 407 H GLU 51 H GLU 51 -17.971 24.304 11.252 408 HA GLU 51 HA GLU 51 -20.655 25.266 11.696 409 1HB GLU 51 1HB GLU 51 -17.917 26.034 12.747 410 2HB GLU 51 2HB GLU 51 -19.421 26.683 13.402 411 1HG GLU 51 1HG GLU 51 -20.184 24.352 13.858 412 2HG GLU 51 2HG GLU 51 -18.624 23.756 13.290 413 H ALA 52 H ALA 52 -17.887 26.521 9.937 414 HA ALA 52 HA ALA 52 -18.920 29.252 9.740 415 1HB ALA 52 1HB ALA 52 -16.543 27.722 9.127 416 2HB ALA 52 2HB ALA 52 -16.999 28.705 7.735 417 3HB ALA 52 3HB ALA 52 -16.714 29.469 9.300 418 H LYS 53 H LYS 53 -19.788 30.197 7.798 419 HA LYS 53 HA LYS 53 -21.572 28.520 6.280 420 1HB LYS 53 1HB LYS 53 -21.866 30.939 6.845 421 2HB LYS 53 2HB LYS 53 -20.552 31.327 5.734 422 1HG LYS 53 1HG LYS 53 -21.857 30.194 3.906 423 2HG LYS 53 2HG LYS 53 -23.198 30.021 5.037 424 1HD LYS 53 1HD LYS 53 -23.092 32.535 5.378 425 2HD LYS 53 2HD LYS 53 -21.963 32.594 4.024 426 1HE LYS 53 1HE LYS 53 -23.677 31.489 2.581 427 2HE LYS 53 2HE LYS 53 -24.816 31.545 3.941 428 1HZ LYS 53 1HZ LYS 53 -23.355 33.944 2.989 429 2HZ LYS 53 2HZ LYS 53 -24.868 33.506 2.352 430 3HZ LYS 53 3HZ LYS 53 -24.714 33.882 4.002 431 H SER 54 H SER 54 -18.233 29.027 5.997 432 HA SER 54 HA SER 54 -17.960 28.994 3.110 433 1HB SER 54 1HB SER 54 -15.606 28.636 3.662 434 2HB SER 54 2HB SER 54 -16.284 29.814 4.787 435 HG SER 54 HG SER 54 -15.062 27.620 5.409 436 H GLN 55 H GLN 55 -18.952 26.629 5.320 437 HA GLN 55 HA GLN 55 -17.704 24.253 4.375 438 1HB GLN 55 1HB GLN 55 -19.081 24.479 6.418 439 2HB GLN 55 2HB GLN 55 -20.513 24.745 5.421 440 1HG GLN 55 1HG GLN 55 -20.151 22.503 4.381 441 2HG GLN 55 2HG GLN 55 -18.804 22.239 5.488 442 2HE2 GLN 55 2HE2 GLN 55 -21.026 20.495 5.593 443 1HE2 GLN 55 1HE2 GLN 55 -21.886 20.767 7.031 No H/Q in entry = 443 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -26.804 22.599 24.293 2 H2 LYS 1 H2 LYS 1 -25.267 23.120 24.785 3 H3 LYS 1 H3 LYS 1 -26.603 24.160 24.932 4 HA LYS 1 HA LYS 1 -26.640 24.689 22.719 5 1HB LYS 1 1HB LYS 1 -23.797 23.845 23.370 6 2HB LYS 1 2HB LYS 1 -24.246 24.977 22.093 7 1HG LYS 1 1HG LYS 1 -25.277 26.462 23.782 8 2HG LYS 1 2HG LYS 1 -24.808 25.335 25.055 9 1HD LYS 1 1HD LYS 1 -22.421 25.630 24.379 10 2HD LYS 1 2HD LYS 1 -22.934 26.838 23.202 11 1HE LYS 1 1HE LYS 1 -23.852 28.241 25.003 12 2HE LYS 1 2HE LYS 1 -23.411 27.011 26.202 13 1HZ LYS 1 1HZ LYS 1 -21.470 28.214 24.299 14 2HZ LYS 1 2HZ LYS 1 -21.717 28.818 25.866 15 3HZ LYS 1 3HZ LYS 1 -21.127 27.239 25.648 16 H ASN 2 H ASN 2 -25.346 24.006 20.490 17 HA ASN 2 HA ASN 2 -26.330 21.277 19.911 18 1HB ASN 2 1HB ASN 2 -25.177 23.520 18.223 19 2HB ASN 2 2HB ASN 2 -25.835 22.021 17.570 20 2HD2 ASN 2 2HD2 ASN 2 -26.884 24.829 17.239 21 1HD2 ASN 2 1HD2 ASN 2 -28.478 24.783 17.821 22 H GLU 3 H GLU 3 -24.977 19.548 19.410 23 HA GLU 3 HA GLU 3 -22.166 19.731 20.170 24 1HB GLU 3 1HB GLU 3 -23.702 17.789 20.566 25 2HB GLU 3 2HB GLU 3 -23.738 17.509 18.826 26 1HG GLU 3 1HG GLU 3 -21.302 17.175 18.815 27 2HG GLU 3 2HG GLU 3 -21.239 17.499 20.548 28 H ASP 4 H ASP 4 -23.934 20.169 17.247 29 HA ASP 4 HA ASP 4 -21.801 19.382 15.409 30 1HB ASP 4 1HB ASP 4 -24.395 19.514 15.122 31 2HB ASP 4 2HB ASP 4 -24.108 21.226 14.809 32 H GLN 5 H GLN 5 -21.918 21.843 17.570 33 HA GLN 5 HA GLN 5 -20.560 23.790 15.731 34 1HB GLN 5 1HB GLN 5 -22.694 24.533 16.757 35 2HB GLN 5 2HB GLN 5 -22.032 24.204 18.357 36 1HG GLN 5 1HG GLN 5 -20.163 25.825 17.810 37 2HG GLN 5 2HG GLN 5 -21.062 26.263 16.357 38 2HE2 GLN 5 2HE2 GLN 5 -20.694 26.992 19.670 39 1HE2 GLN 5 1HE2 GLN 5 -22.120 27.889 19.877 40 H GLU 6 H GLU 6 -20.372 21.943 18.694 41 HA GLU 6 HA GLU 6 -17.499 22.716 18.960 42 1HB GLU 6 1HB GLU 6 -19.643 22.757 21.112 43 2HB GLU 6 2HB GLU 6 -17.918 22.946 21.430 44 1HG GLU 6 1HG GLU 6 -17.865 24.933 19.963 45 2HG GLU 6 2HG GLU 6 -19.589 24.743 19.643 46 H MET 7 H MET 7 -18.514 20.324 17.854 47 HA MET 7 HA MET 7 -19.065 18.104 19.368 48 1HB MET 7 1HB MET 7 -17.037 18.491 17.149 49 2HB MET 7 2HB MET 7 -17.568 16.904 17.705 50 1HG MET 7 1HG MET 7 -19.925 17.562 17.206 51 2HG MET 7 2HG MET 7 -19.328 19.089 16.552 52 1HE MET 7 1HE MET 7 -19.030 15.489 16.742 53 2HE MET 7 2HE MET 7 -20.085 15.249 15.351 54 3HE MET 7 3HE MET 7 -18.367 14.881 15.218 55 H CYS 8 H CYS 8 -15.987 19.847 19.295 56 HA CYS 8 HA CYS 8 -14.818 17.869 21.209 57 1HB CYS 8 1HB CYS 8 -13.705 20.004 19.374 58 2HB CYS 8 2HB CYS 8 -12.706 19.171 20.566 59 H HIS 9 H HIS 9 -15.169 18.468 23.317 60 HA HIS 9 HA HIS 9 -15.486 21.317 24.043 61 1HB HIS 9 1HB HIS 9 -15.597 18.718 25.609 62 2HB HIS 9 2HB HIS 9 -16.034 20.299 26.255 63 HD1 HIS 9 HD1 HIS 9 -17.157 17.709 23.753 64 HD2 HIS 9 HD2 HIS 9 -18.548 21.274 25.407 65 HE1 HIS 9 HE1 HIS 9 -19.575 17.936 23.035 66 H GLU 10 H GLU 10 -12.988 18.959 23.914 67 HA GLU 10 HA GLU 10 -11.371 20.132 26.080 68 1HB GLU 10 1HB GLU 10 -10.894 18.012 23.963 69 2HB GLU 10 2HB GLU 10 -9.744 18.403 25.240 70 1HG GLU 10 1HG GLU 10 -11.405 17.815 26.947 71 2HG GLU 10 2HG GLU 10 -12.600 17.483 25.693 72 H PHE 11 H PHE 11 -11.394 20.082 22.517 73 HA PHE 11 HA PHE 11 -8.971 21.730 22.327 74 1HB PHE 11 1HB PHE 11 -11.028 20.620 20.424 75 2HB PHE 11 2HB PHE 11 -9.747 21.688 19.867 76 HD1 PHE 11 HD1 PHE 11 -7.333 21.037 20.259 77 HD2 PHE 11 HD2 PHE 11 -10.592 18.313 20.897 78 HE1 PHE 11 HE1 PHE 11 -5.755 19.130 20.174 79 HE2 PHE 11 HE2 PHE 11 -9.013 16.406 20.811 80 HZ PHE 11 HZ PHE 11 -6.594 16.815 20.452 81 H GLN 12 H GLN 12 -12.457 22.213 22.341 82 HA GLN 12 HA GLN 12 -12.809 24.669 21.085 83 1HB GLN 12 1HB GLN 12 -14.575 23.353 22.187 84 2HB GLN 12 2HB GLN 12 -13.883 23.724 23.765 85 1HG GLN 12 1HG GLN 12 -14.149 26.228 22.897 86 2HG GLN 12 2HG GLN 12 -15.400 25.497 21.892 87 2HE2 GLN 12 2HE2 GLN 12 -16.579 27.140 23.580 88 1HE2 GLN 12 1HE2 GLN 12 -17.198 26.375 24.962 89 H ALA 13 H ALA 13 -11.552 24.105 24.380 90 HA ALA 13 HA ALA 13 -11.211 26.847 25.110 91 1HB ALA 13 1HB ALA 13 -9.399 25.693 26.613 92 2HB ALA 13 2HB ALA 13 -11.090 25.237 26.823 93 3HB ALA 13 3HB ALA 13 -10.006 24.199 25.897 94 H PHE 14 H PHE 14 -9.470 24.819 22.891 95 HA PHE 14 HA PHE 14 -7.018 26.463 22.982 96 1HB PHE 14 1HB PHE 14 -7.916 24.190 21.184 97 2HB PHE 14 2HB PHE 14 -6.278 24.821 21.305 98 HD1 PHE 14 HD1 PHE 14 -6.951 25.295 24.488 99 HD2 PHE 14 HD2 PHE 14 -6.841 21.961 21.786 100 HE1 PHE 14 HE1 PHE 14 -6.510 23.767 26.391 101 HE2 PHE 14 HE2 PHE 14 -6.402 20.433 23.682 102 HZ PHE 14 HZ PHE 14 -6.236 21.334 25.989 103 H MET 15 H MET 15 -9.885 27.326 21.938 104 HA MET 15 HA MET 15 -9.089 28.155 19.192 105 1HB MET 15 1HB MET 15 -11.440 28.379 18.846 106 2HB MET 15 2HB MET 15 -11.249 26.916 19.802 107 1HG MET 15 1HG MET 15 -11.551 28.492 21.851 108 2HG MET 15 2HG MET 15 -12.215 29.630 20.681 109 1HE MET 15 1HE MET 15 -13.781 29.257 19.110 110 2HE MET 15 2HE MET 15 -14.045 27.592 18.574 111 3HE MET 15 3HE MET 15 -15.322 28.461 19.422 112 H LYS 16 H LYS 16 -8.158 30.167 19.101 113 HA LYS 16 HA LYS 16 -8.740 32.168 21.213 114 1HB LYS 16 1HB LYS 16 -6.423 31.672 20.508 115 2HB LYS 16 2HB LYS 16 -6.826 32.131 18.855 116 1HG LYS 16 1HG LYS 16 -7.689 34.300 20.373 117 2HG LYS 16 2HG LYS 16 -6.174 33.827 21.142 118 1HD LYS 16 1HD LYS 16 -5.209 33.735 18.745 119 2HD LYS 16 2HD LYS 16 -6.646 34.641 18.273 120 1HE LYS 16 1HE LYS 16 -6.058 36.490 19.683 121 2HE LYS 16 2HE LYS 16 -4.813 35.543 20.518 122 1HZ LYS 16 1HZ LYS 16 -4.774 35.947 17.582 123 2HZ LYS 16 2HZ LYS 16 -4.039 37.058 18.638 124 3HZ LYS 16 3HZ LYS 16 -3.505 35.446 18.591 125 H ASN 17 H ASN 17 -10.943 32.689 20.541 126 HA ASN 17 HA ASN 17 -12.526 33.990 19.372 127 1HB ASN 17 1HB ASN 17 -9.963 35.213 18.300 128 2HB ASN 17 2HB ASN 17 -11.553 35.972 18.273 129 2HD2 ASN 17 2HD2 ASN 17 -8.811 36.391 19.857 130 1HD2 ASN 17 1HD2 ASN 17 -9.361 36.688 21.435 131 H GLY 18 H GLY 18 -12.213 31.541 18.214 132 1HA GLY 18 1HA GLY 18 -12.579 32.175 15.351 133 2HA GLY 18 2HA GLY 18 -13.007 30.656 16.134 134 H LYS 19 H LYS 19 -9.883 31.806 16.950 135 HA LYS 19 HA LYS 19 -8.552 30.351 14.731 136 1HB LYS 19 1HB LYS 19 -7.924 32.654 15.719 137 2HB LYS 19 2HB LYS 19 -7.281 31.748 17.089 138 1HG LYS 19 1HG LYS 19 -6.487 31.215 14.213 139 2HG LYS 19 2HG LYS 19 -5.579 32.274 15.292 140 1HD LYS 19 1HD LYS 19 -5.448 30.317 16.914 141 2HD LYS 19 2HD LYS 19 -6.089 29.306 15.617 142 1HE LYS 19 1HE LYS 19 -3.702 31.056 15.068 143 2HE LYS 19 2HE LYS 19 -3.483 29.500 15.892 144 1HZ LYS 19 1HZ LYS 19 -5.008 28.590 14.083 145 2HZ LYS 19 2HZ LYS 19 -4.694 30.031 13.239 146 3HZ LYS 19 3HZ LYS 19 -3.421 28.973 13.622 147 H LEU 20 H LEU 20 -8.631 28.136 15.113 148 HA LEU 20 HA LEU 20 -8.290 27.057 17.836 149 1HB LEU 20 1HB LEU 20 -9.870 25.954 16.439 150 2HB LEU 20 2HB LEU 20 -8.766 25.951 15.063 151 HG LEU 20 HG LEU 20 -7.252 24.425 16.356 152 1HD1 LEU 20 1HD1 LEU 20 -9.580 24.516 18.293 153 2HD1 LEU 20 2HD1 LEU 20 -8.342 23.259 18.326 154 3HD1 LEU 20 3HD1 LEU 20 -7.900 24.941 18.618 155 1HD2 LEU 20 1HD2 LEU 20 -9.169 23.704 14.754 156 2HD2 LEU 20 2HD2 LEU 20 -8.462 22.478 15.807 157 3HD2 LEU 20 3HD2 LEU 20 -10.010 23.213 16.225 158 H PHE 21 H PHE 21 -6.188 27.050 18.602 159 HA PHE 21 HA PHE 21 -3.970 26.529 16.678 160 1HB PHE 21 1HB PHE 21 -2.627 27.169 18.818 161 2HB PHE 21 2HB PHE 21 -3.527 28.435 17.988 162 HD1 PHE 21 HD1 PHE 21 -3.495 26.178 20.925 163 HD2 PHE 21 HD2 PHE 21 -5.464 29.465 18.984 164 HE1 PHE 21 HE1 PHE 21 -4.773 26.636 22.999 165 HE2 PHE 21 HE2 PHE 21 -6.744 29.921 21.059 166 HZ PHE 21 HZ PHE 21 -6.398 28.508 23.066 167 H CYS 22 H CYS 22 -4.936 24.220 16.674 168 HA CYS 22 HA CYS 22 -4.894 22.413 18.800 169 1HB CYS 22 1HB CYS 22 -5.182 22.364 16.062 170 2HB CYS 22 2HB CYS 22 -3.715 21.414 16.296 171 HA PRO 23 HA PRO 23 -0.186 21.600 17.900 172 1HB PRO 23 1HB PRO 23 0.892 24.068 16.883 173 2HB PRO 23 2HB PRO 23 0.856 22.487 16.098 174 1HG PRO 23 1HG PRO 23 -0.682 24.806 15.432 175 2HG PRO 23 2HG PRO 23 -0.762 23.208 14.685 176 1HD PRO 23 1HD PRO 23 -2.687 24.468 16.439 177 2HD PRO 23 2HD PRO 23 -2.816 22.892 15.626 178 H GLN 24 H GLN 24 -0.942 22.057 20.238 179 HA GLN 24 HA GLN 24 0.335 24.531 21.341 180 1HB GLN 24 1HB GLN 24 -1.904 24.526 22.006 181 2HB GLN 24 2HB GLN 24 -1.983 22.767 22.065 182 1HG GLN 24 1HG GLN 24 -0.615 22.751 24.104 183 2HG GLN 24 2HG GLN 24 -0.464 24.506 24.034 184 2HE2 GLN 24 2HE2 GLN 24 -3.080 22.014 24.022 185 1HE2 GLN 24 1HE2 GLN 24 -4.137 22.908 25.003 186 H ASP 25 H ASP 25 -0.022 21.034 21.826 187 HA ASP 25 HA ASP 25 2.728 20.698 22.677 188 1HB ASP 25 1HB ASP 25 1.724 21.838 24.645 189 2HB ASP 25 2HB ASP 25 0.516 20.558 24.755 190 H LYS 26 H LYS 26 1.645 19.308 20.723 191 HA LYS 26 HA LYS 26 -0.020 17.089 21.207 192 1HB LYS 26 1HB LYS 26 2.241 17.709 19.319 193 2HB LYS 26 2HB LYS 26 1.436 16.142 19.251 194 1HG LYS 26 1HG LYS 26 -0.720 17.214 18.888 195 2HG LYS 26 2HG LYS 26 0.000 18.810 19.105 196 1HD LYS 26 1HD LYS 26 1.530 18.244 17.143 197 2HD LYS 26 2HD LYS 26 0.494 16.846 16.855 198 1HE LYS 26 1HE LYS 26 -1.457 18.312 16.568 199 2HE LYS 26 2HE LYS 26 -0.462 19.733 16.939 200 1HZ LYS 26 1HZ LYS 26 1.060 18.773 15.104 201 2HZ LYS 26 2HZ LYS 26 -0.321 17.920 14.611 202 3HZ LYS 26 3HZ LYS 26 -0.338 19.619 14.639 203 H LYS 27 H LYS 27 3.182 17.641 22.375 204 HA LYS 27 HA LYS 27 4.469 15.220 22.537 205 1HB LYS 27 1HB LYS 27 3.937 17.334 24.636 206 2HB LYS 27 2HB LYS 27 5.094 16.029 24.882 207 1HG LYS 27 1HG LYS 27 6.236 16.731 22.754 208 2HG LYS 27 2HG LYS 27 5.157 18.124 22.694 209 1HD LYS 27 1HD LYS 27 5.989 18.890 24.872 210 2HD LYS 27 2HD LYS 27 7.029 17.470 24.990 211 1HE LYS 27 1HE LYS 27 8.329 18.192 23.063 212 2HE LYS 27 2HE LYS 27 7.209 19.535 22.765 213 1HZ LYS 27 1HZ LYS 27 8.660 19.124 25.327 214 2HZ LYS 27 2HZ LYS 27 9.217 20.150 24.093 215 3HZ LYS 27 3HZ LYS 27 7.744 20.478 24.875 216 H PHE 28 H PHE 28 1.433 16.067 24.100 217 HA PHE 28 HA PHE 28 1.197 14.140 26.118 218 1HB PHE 28 1HB PHE 28 -0.925 14.929 24.095 219 2HB PHE 28 2HB PHE 28 -1.191 14.420 25.761 220 HD1 PHE 28 HD1 PHE 28 0.910 15.876 27.216 221 HD2 PHE 28 HD2 PHE 28 -1.620 17.177 23.997 222 HE1 PHE 28 HE1 PHE 28 1.156 18.226 27.970 223 HE2 PHE 28 HE2 PHE 28 -1.372 19.529 24.752 224 HZ PHE 28 HZ PHE 28 0.016 20.051 26.738 225 H PHE 29 H PHE 29 1.162 13.709 22.638 226 HA PHE 29 HA PHE 29 -0.117 11.311 22.167 227 1HB PHE 29 1HB PHE 29 1.245 12.789 20.615 228 2HB PHE 29 2HB PHE 29 2.686 11.977 21.225 229 HD1 PHE 29 HD1 PHE 29 -0.567 11.411 19.502 230 HD2 PHE 29 HD2 PHE 29 3.308 9.816 20.446 231 HE1 PHE 29 HE1 PHE 29 -0.949 9.546 17.913 232 HE2 PHE 29 HE2 PHE 29 2.926 7.951 18.857 233 HZ PHE 29 HZ PHE 29 0.798 7.815 17.590 234 H GLN 30 H GLN 30 2.789 11.776 24.074 235 HA GLN 30 HA GLN 30 3.767 9.082 24.067 236 1HB GLN 30 1HB GLN 30 3.936 11.386 26.029 237 2HB GLN 30 2HB GLN 30 4.880 9.905 26.192 238 1HG GLN 30 1HG GLN 30 5.602 10.376 23.730 239 2HG GLN 30 2HG GLN 30 5.040 12.017 24.050 240 2HE2 GLN 30 2HE2 GLN 30 6.806 13.297 24.603 241 1HE2 GLN 30 1HE2 GLN 30 8.084 12.813 25.607 242 H SER 31 H SER 31 0.872 10.324 25.332 243 HA SER 31 HA SER 31 0.647 7.979 27.193 244 1HB SER 31 1HB SER 31 -0.396 10.815 27.495 245 2HB SER 31 2HB SER 31 -0.718 9.499 28.625 246 HG SER 31 HG SER 31 1.133 9.894 29.485 247 H LEU 32 H LEU 32 -1.703 7.367 27.550 248 HA LEU 32 HA LEU 32 -3.075 6.922 25.095 249 1HB LEU 32 1HB LEU 32 -3.187 5.939 27.594 250 2HB LEU 32 2HB LEU 32 -4.574 7.027 27.668 251 HG LEU 32 HG LEU 32 -4.201 5.108 25.367 252 1HD1 LEU 32 1HD1 LEU 32 -4.194 3.826 27.502 253 2HD1 LEU 32 2HD1 LEU 32 -5.720 4.594 27.944 254 3HD1 LEU 32 3HD1 LEU 32 -5.645 3.520 26.546 255 1HD2 LEU 32 1HD2 LEU 32 -6.558 6.575 26.586 256 2HD2 LEU 32 2HD2 LEU 32 -5.819 6.882 25.014 257 3HD2 LEU 32 3HD2 LEU 32 -6.702 5.380 25.297 258 H ASP 33 H ASP 33 -3.939 9.150 27.760 259 HA ASP 33 HA ASP 33 -6.132 10.427 26.537 260 1HB ASP 33 1HB ASP 33 -3.950 11.464 28.379 261 2HB ASP 33 2HB ASP 33 -5.445 12.339 28.049 262 H GLY 34 H GLY 34 -2.661 10.975 26.164 263 1HA GLY 34 1HA GLY 34 -1.487 12.368 24.667 264 2HA GLY 34 2HA GLY 34 -2.968 13.296 24.446 265 H ILE 35 H ILE 35 -2.326 9.840 23.925 266 HA ILE 35 HA ILE 35 -2.137 9.854 21.103 267 HB ILE 35 HB ILE 35 -2.986 7.931 23.245 268 1HG1 ILE 35 1HG1 ILE 35 -0.606 8.308 22.766 269 2HG1 ILE 35 2HG1 ILE 35 -1.066 6.667 22.308 270 1HG2 ILE 35 1HG2 ILE 35 -3.243 7.416 20.264 271 2HG2 ILE 35 2HG2 ILE 35 -3.303 6.163 21.505 272 3HG2 ILE 35 3HG2 ILE 35 -4.555 7.405 21.444 273 1HD1 ILE 35 1HD1 ILE 35 -1.565 8.406 20.082 274 2HD1 ILE 35 2HD1 ILE 35 0.079 8.690 20.656 275 3HD1 ILE 35 3HD1 ILE 35 -0.423 7.065 20.188 276 H MET 36 H MET 36 -4.955 9.959 23.243 277 HA MET 36 HA MET 36 -6.907 9.636 21.100 278 1HB MET 36 1HB MET 36 -6.804 10.148 24.009 279 2HB MET 36 2HB MET 36 -8.202 10.838 23.181 280 1HG MET 36 1HG MET 36 -8.773 8.662 22.241 281 2HG MET 36 2HG MET 36 -7.311 7.950 22.925 282 1HE MET 36 1HE MET 36 -10.649 8.498 22.916 283 2HE MET 36 2HE MET 36 -11.326 8.006 24.474 284 3HE MET 36 3HE MET 36 -10.912 9.694 24.183 285 H PHE 37 H PHE 37 -6.288 12.463 23.235 286 HA PHE 37 HA PHE 37 -7.672 14.383 21.773 287 1HB PHE 37 1HB PHE 37 -6.813 15.589 23.478 288 2HB PHE 37 2HB PHE 37 -5.744 14.245 23.870 289 HD1 PHE 37 HD1 PHE 37 -3.458 14.136 22.859 290 HD2 PHE 37 HD2 PHE 37 -5.999 17.558 22.391 291 HE1 PHE 37 HE1 PHE 37 -1.509 15.482 22.143 292 HE2 PHE 37 HE2 PHE 37 -4.048 18.908 21.668 293 HZ PHE 37 HZ PHE 37 -1.806 17.859 21.541 294 H ILE 38 H ILE 38 -4.240 13.407 21.256 295 HA ILE 38 HA ILE 38 -3.598 15.065 19.090 296 HB ILE 38 HB ILE 38 -2.977 12.149 19.654 297 1HG1 ILE 38 1HG1 ILE 38 -2.175 13.831 21.302 298 2HG1 ILE 38 2HG1 ILE 38 -0.845 13.046 20.457 299 1HG2 ILE 38 1HG2 ILE 38 -2.727 12.815 17.215 300 2HG2 ILE 38 2HG2 ILE 38 -1.520 13.989 17.741 301 3HG2 ILE 38 3HG2 ILE 38 -1.242 12.265 17.992 302 1HD1 ILE 38 1HD1 ILE 38 -0.861 14.988 18.831 303 2HD1 ILE 38 2HD1 ILE 38 -1.996 15.794 19.913 304 3HD1 ILE 38 3HD1 ILE 38 -0.369 15.406 20.472 305 H ASN 39 H ASN 39 -5.432 12.019 19.101 306 HA ASN 39 HA ASN 39 -5.812 11.876 16.242 307 1HB ASN 39 1HB ASN 39 -7.273 10.734 18.640 308 2HB ASN 39 2HB ASN 39 -7.628 10.265 16.978 309 2HD2 ASN 39 2HD2 ASN 39 -6.509 8.507 19.084 310 1HD2 ASN 39 1HD2 ASN 39 -4.992 7.991 18.521 311 H LYS 40 H LYS 40 -7.605 13.393 18.881 312 HA LYS 40 HA LYS 40 -9.855 14.153 17.140 313 1HB LYS 40 1HB LYS 40 -9.032 14.552 20.014 314 2HB LYS 40 2HB LYS 40 -10.408 15.431 19.345 315 1HG LYS 40 1HG LYS 40 -11.402 13.257 18.631 316 2HG LYS 40 2HG LYS 40 -10.062 12.418 19.413 317 1HD LYS 40 1HD LYS 40 -10.735 13.761 21.528 318 2HD LYS 40 2HD LYS 40 -12.254 14.056 20.681 319 1HE LYS 40 1HE LYS 40 -12.078 11.393 20.293 320 2HE LYS 40 2HE LYS 40 -11.187 11.515 21.822 321 1HZ LYS 40 1HZ LYS 40 -13.113 13.125 22.436 322 2HZ LYS 40 2HZ LYS 40 -13.962 12.310 21.214 323 3HZ LYS 40 3HZ LYS 40 -13.365 11.449 22.551 324 H CYS 41 H CYS 41 -6.859 15.542 18.306 325 HA CYS 41 HA CYS 41 -7.231 18.293 18.132 326 1HB CYS 41 1HB CYS 41 -5.121 17.360 18.749 327 2HB CYS 41 2HB CYS 41 -5.000 16.452 17.247 328 H ALA 42 H ALA 42 -5.824 16.523 15.390 329 HA ALA 42 HA ALA 42 -6.381 18.463 13.412 330 1HB ALA 42 1HB ALA 42 -6.002 15.465 13.391 331 2HB ALA 42 2HB ALA 42 -6.177 16.383 11.896 332 3HB ALA 42 3HB ALA 42 -4.826 16.714 12.980 333 H THR 43 H THR 43 -8.412 15.841 14.656 334 HA THR 43 HA THR 43 -10.462 15.984 12.640 335 HB THR 43 HB THR 43 -10.650 15.164 15.555 336 HG1 THR 43 HG1 THR 43 -9.813 13.726 13.259 337 1HG2 THR 43 1HG2 THR 43 -12.358 14.855 13.147 338 2HG2 THR 43 2HG2 THR 43 -12.198 13.433 14.178 339 3HG2 THR 43 3HG2 THR 43 -12.815 14.944 14.848 340 H CYS 44 H CYS 44 -10.485 17.216 16.014 341 HA CYS 44 HA CYS 44 -12.865 18.671 15.961 342 1HB CYS 44 1HB CYS 44 -10.206 19.440 17.212 343 2HB CYS 44 2HB CYS 44 -11.790 20.009 17.737 344 H LYS 45 H LYS 45 -9.723 19.541 14.588 345 HA LYS 45 HA LYS 45 -10.210 22.290 14.027 346 1HB LYS 45 1HB LYS 45 -8.020 21.247 13.882 347 2HB LYS 45 2HB LYS 45 -8.584 20.146 12.626 348 1HG LYS 45 1HG LYS 45 -9.222 22.464 11.439 349 2HG LYS 45 2HG LYS 45 -7.892 23.041 12.442 350 1HD LYS 45 1HD LYS 45 -6.486 21.162 11.538 351 2HD LYS 45 2HD LYS 45 -7.802 20.777 10.429 352 1HE LYS 45 1HE LYS 45 -6.072 22.253 9.373 353 2HE LYS 45 2HE LYS 45 -7.656 23.048 9.457 354 1HZ LYS 45 1HZ LYS 45 -5.750 23.256 11.702 355 2HZ LYS 45 2HZ LYS 45 -5.593 24.290 10.363 356 3HZ LYS 45 3HZ LYS 45 -7.019 24.304 11.281 357 H MET 46 H MET 46 -10.772 19.390 11.989 358 HA MET 46 HA MET 46 -11.866 20.800 9.748 359 1HB MET 46 1HB MET 46 -12.535 18.593 9.040 360 2HB MET 46 2HB MET 46 -11.004 18.421 9.894 361 1HG MET 46 1HG MET 46 -11.952 17.034 11.384 362 2HG MET 46 2HG MET 46 -13.169 18.242 11.782 363 1HE MET 46 1HE MET 46 -12.008 15.405 9.645 364 2HE MET 46 2HE MET 46 -13.355 14.959 8.601 365 3HE MET 46 3HE MET 46 -12.435 16.435 8.281 366 H ILE 47 H ILE 47 -13.212 19.893 12.830 367 HA ILE 47 HA ILE 47 -16.001 19.909 12.179 368 HB ILE 47 HB ILE 47 -14.569 20.755 14.721 369 1HG1 ILE 47 1HG1 ILE 47 -13.753 18.586 14.091 370 2HG1 ILE 47 2HG1 ILE 47 -14.973 18.323 15.337 371 1HG2 ILE 47 1HG2 ILE 47 -17.393 19.975 14.042 372 2HG2 ILE 47 2HG2 ILE 47 -16.754 19.642 15.652 373 3HG2 ILE 47 3HG2 ILE 47 -16.821 21.301 15.056 374 1HD1 ILE 47 1HD1 ILE 47 -16.659 17.880 13.575 375 2HD1 ILE 47 2HD1 ILE 47 -15.417 18.106 12.343 376 3HD1 ILE 47 3HD1 ILE 47 -15.306 16.754 13.472 377 H LEU 48 H LEU 48 -13.767 22.504 13.177 378 HA LEU 48 HA LEU 48 -15.733 24.608 13.268 379 1HB LEU 48 1HB LEU 48 -12.731 24.433 12.943 380 2HB LEU 48 2HB LEU 48 -13.561 25.989 12.964 381 HG LEU 48 HG LEU 48 -12.845 25.501 15.220 382 1HD1 LEU 48 1HD1 LEU 48 -15.417 26.109 14.536 383 2HD1 LEU 48 2HD1 LEU 48 -15.666 24.674 15.533 384 3HD1 LEU 48 3HD1 LEU 48 -14.823 26.073 16.197 385 1HD2 LEU 48 1HD2 LEU 48 -12.673 23.006 14.800 386 2HD2 LEU 48 2HD2 LEU 48 -13.363 23.449 16.361 387 3HD2 LEU 48 3HD2 LEU 48 -14.417 22.920 15.050 388 H GLU 49 H GLU 49 -13.564 23.387 10.724 389 HA GLU 49 HA GLU 49 -14.021 25.344 8.730 390 1HB GLU 49 1HB GLU 49 -13.593 22.344 8.537 391 2HB GLU 49 2HB GLU 49 -13.370 23.476 7.203 392 1HG GLU 49 1HG GLU 49 -11.926 23.807 9.838 393 2HG GLU 49 2HG GLU 49 -11.263 22.830 8.529 394 H LYS 50 H LYS 50 -16.075 22.739 9.871 395 HA LYS 50 HA LYS 50 -17.860 22.554 7.635 396 1HB LYS 50 1HB LYS 50 -18.222 22.109 10.616 397 2HB LYS 50 2HB LYS 50 -19.365 21.568 9.386 398 1HG LYS 50 1HG LYS 50 -17.437 20.319 8.304 399 2HG LYS 50 2HG LYS 50 -16.487 20.694 9.741 400 1HD LYS 50 1HD LYS 50 -17.970 19.458 11.155 401 2HD LYS 50 2HD LYS 50 -19.182 19.325 9.881 402 1HE LYS 50 1HE LYS 50 -17.785 17.824 8.602 403 2HE LYS 50 2HE LYS 50 -16.402 18.115 9.674 404 1HZ LYS 50 1HZ LYS 50 -17.912 17.354 11.528 405 2HZ LYS 50 2HZ LYS 50 -18.979 16.793 10.330 406 3HZ LYS 50 3HZ LYS 50 -17.418 16.140 10.447 407 H GLU 51 H GLU 51 -17.847 24.642 10.522 408 HA GLU 51 HA GLU 51 -20.390 25.855 10.224 409 1HB GLU 51 1HB GLU 51 -17.718 26.864 11.244 410 2HB GLU 51 2HB GLU 51 -19.233 27.736 11.475 411 1HG GLU 51 1HG GLU 51 -20.182 25.841 12.690 412 2HG GLU 51 2HG GLU 51 -18.732 24.885 12.381 413 H ALA 52 H ALA 52 -17.407 26.346 8.441 414 HA ALA 52 HA ALA 52 -18.210 28.887 7.245 415 1HB ALA 52 1HB ALA 52 -15.865 28.164 7.627 416 2HB ALA 52 2HB ALA 52 -16.161 28.512 5.924 417 3HB ALA 52 3HB ALA 52 -16.099 26.841 6.484 418 H LYS 53 H LYS 53 -18.792 25.526 6.580 419 HA LYS 53 HA LYS 53 -19.444 25.950 3.738 420 1HB LYS 53 1HB LYS 53 -18.401 23.878 4.574 421 2HB LYS 53 2HB LYS 53 -19.784 23.603 5.635 422 1HG LYS 53 1HG LYS 53 -21.263 23.517 3.634 423 2HG LYS 53 2HG LYS 53 -19.844 23.705 2.603 424 1HD LYS 53 1HD LYS 53 -18.895 21.624 3.503 425 2HD LYS 53 2HD LYS 53 -20.281 21.443 4.579 426 1HE LYS 53 1HE LYS 53 -21.790 21.247 2.645 427 2HE LYS 53 2HE LYS 53 -20.425 21.498 1.539 428 1HZ LYS 53 1HZ LYS 53 -19.345 19.595 2.842 429 2HZ LYS 53 2HZ LYS 53 -20.912 19.246 3.400 430 3HZ LYS 53 3HZ LYS 53 -20.567 19.186 1.738 431 H SER 54 H SER 54 -21.098 25.880 6.824 432 HA SER 54 HA SER 54 -23.771 25.481 5.704 433 1HB SER 54 1HB SER 54 -22.763 26.466 8.394 434 2HB SER 54 2HB SER 54 -24.423 25.974 8.052 435 HG SER 54 HG SER 54 -22.901 24.357 8.980 436 H GLN 55 H GLN 55 -21.631 28.163 6.093 437 HA GLN 55 HA GLN 55 -23.438 30.001 4.792 438 1HB GLN 55 1HB GLN 55 -23.949 31.407 6.733 439 2HB GLN 55 2HB GLN 55 -24.492 29.758 7.046 440 1HG GLN 55 1HG GLN 55 -22.534 29.303 8.393 441 2HG GLN 55 2HG GLN 55 -21.807 30.845 7.942 442 2HE2 GLN 55 2HE2 GLN 55 -22.642 29.824 10.681 443 1HE2 GLN 55 1HE2 GLN 55 -23.701 31.007 11.281 No H/Q in entry = 443 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -27.442 24.640 11.637 2 H2 LYS 1 H2 LYS 1 -26.461 25.692 10.739 3 H3 LYS 1 H3 LYS 1 -26.199 24.016 10.663 4 HA LYS 1 HA LYS 1 -24.537 24.623 12.119 5 1HB LYS 1 1HB LYS 1 -25.351 26.991 11.982 6 2HB LYS 1 2HB LYS 1 -26.534 26.617 13.235 7 1HG LYS 1 1HG LYS 1 -24.696 27.559 14.408 8 2HG LYS 1 2HG LYS 1 -24.529 25.818 14.643 9 1HD LYS 1 1HD LYS 1 -22.922 25.726 12.764 10 2HD LYS 1 2HD LYS 1 -23.078 27.469 12.550 11 1HE LYS 1 1HE LYS 1 -21.970 26.021 14.981 12 2HE LYS 1 2HE LYS 1 -21.099 27.116 13.891 13 1HZ LYS 1 1HZ LYS 1 -23.112 28.675 14.507 14 2HZ LYS 1 2HZ LYS 1 -23.132 27.726 15.916 15 3HZ LYS 1 3HZ LYS 1 -21.735 28.593 15.499 16 H ASN 2 H ASN 2 -25.027 22.435 12.865 17 HA ASN 2 HA ASN 2 -26.912 22.233 15.170 18 1HB ASN 2 1HB ASN 2 -27.062 20.704 13.182 19 2HB ASN 2 2HB ASN 2 -25.454 20.100 13.579 20 2HD2 ASN 2 2HD2 ASN 2 -27.619 18.294 13.605 21 1HD2 ASN 2 1HD2 ASN 2 -27.965 17.849 15.206 22 H GLU 3 H GLU 3 -25.915 22.566 17.125 23 HA GLU 3 HA GLU 3 -23.081 22.410 17.565 24 1HB GLU 3 1HB GLU 3 -23.739 22.754 19.894 25 2HB GLU 3 2HB GLU 3 -24.775 23.733 18.856 26 1HG GLU 3 1HG GLU 3 -26.428 21.789 18.894 27 2HG GLU 3 2HG GLU 3 -25.443 21.096 20.184 28 H ASP 4 H ASP 4 -25.387 19.947 17.197 29 HA ASP 4 HA ASP 4 -23.776 18.022 18.832 30 1HB ASP 4 1HB ASP 4 -26.273 18.425 19.218 31 2HB ASP 4 2HB ASP 4 -26.540 17.664 17.649 32 H GLN 5 H GLN 5 -22.479 18.584 16.528 33 HA GLN 5 HA GLN 5 -23.264 16.418 14.607 34 1HB GLN 5 1HB GLN 5 -21.967 17.826 12.982 35 2HB GLN 5 2HB GLN 5 -23.341 18.679 13.686 36 1HG GLN 5 1HG GLN 5 -21.900 19.832 15.254 37 2HG GLN 5 2HG GLN 5 -20.512 18.862 14.762 38 2HE2 GLN 5 2HE2 GLN 5 -19.277 20.685 13.955 39 1HE2 GLN 5 1HE2 GLN 5 -19.744 21.543 12.566 40 H GLU 6 H GLU 6 -21.987 15.199 16.510 41 HA GLU 6 HA GLU 6 -20.055 13.936 17.023 42 1HB GLU 6 1HB GLU 6 -19.041 15.034 14.388 43 2HB GLU 6 2HB GLU 6 -18.630 13.493 15.142 44 1HG GLU 6 1HG GLU 6 -20.982 12.755 14.881 45 2HG GLU 6 2HG GLU 6 -21.363 14.283 14.088 46 H MET 7 H MET 7 -20.279 16.913 17.643 47 HA MET 7 HA MET 7 -17.596 18.021 17.427 48 1HB MET 7 1HB MET 7 -20.119 18.687 18.958 49 2HB MET 7 2HB MET 7 -18.659 19.667 19.088 50 1HG MET 7 1HG MET 7 -18.699 19.800 16.531 51 2HG MET 7 2HG MET 7 -20.331 19.138 16.622 52 1HE MET 7 1HE MET 7 -17.976 21.991 16.997 53 2HE MET 7 2HE MET 7 -18.789 23.220 17.977 54 3HE MET 7 3HE MET 7 -18.191 21.744 18.729 55 H CYS 8 H CYS 8 -15.956 17.952 18.973 56 HA CYS 8 HA CYS 8 -16.279 15.996 21.175 57 1HB CYS 8 1HB CYS 8 -13.814 16.249 21.283 58 2HB CYS 8 2HB CYS 8 -14.349 15.921 19.635 59 H HIS 9 H HIS 9 -15.891 19.459 20.670 60 HA HIS 9 HA HIS 9 -15.916 21.257 22.206 61 1HB HIS 9 1HB HIS 9 -17.320 19.093 23.809 62 2HB HIS 9 2HB HIS 9 -17.408 20.824 24.140 63 HD1 HIS 9 HD1 HIS 9 -17.951 22.109 21.541 64 HD2 HIS 9 HD2 HIS 9 -19.643 18.419 22.492 65 HE1 HIS 9 HE1 HIS 9 -19.981 21.847 20.050 66 H GLU 10 H GLU 10 -13.671 19.188 22.294 67 HA GLU 10 HA GLU 10 -12.856 19.458 25.160 68 1HB GLU 10 1HB GLU 10 -12.081 17.656 22.857 69 2HB GLU 10 2HB GLU 10 -11.146 17.710 24.352 70 1HG GLU 10 1HG GLU 10 -13.102 17.064 25.651 71 2HG GLU 10 2HG GLU 10 -14.122 17.142 24.215 72 H PHE 11 H PHE 11 -12.065 20.441 21.895 73 HA PHE 11 HA PHE 11 -9.452 21.571 22.777 74 1HB PHE 11 1HB PHE 11 -10.823 20.978 20.161 75 2HB PHE 11 2HB PHE 11 -9.411 22.028 20.212 76 HD1 PHE 11 HD1 PHE 11 -10.635 18.620 21.122 77 HD2 PHE 11 HD2 PHE 11 -7.225 21.141 20.441 78 HE1 PHE 11 HE1 PHE 11 -9.151 16.639 21.213 79 HE2 PHE 11 HE2 PHE 11 -5.742 19.159 20.540 80 HZ PHE 11 HZ PHE 11 -6.705 16.912 20.925 81 H GLN 12 H GLN 12 -12.669 22.523 22.572 82 HA GLN 12 HA GLN 12 -12.774 25.021 21.355 83 1HB GLN 12 1HB GLN 12 -14.566 23.748 22.616 84 2HB GLN 12 2HB GLN 12 -13.859 24.365 24.110 85 1HG GLN 12 1HG GLN 12 -14.303 26.643 23.470 86 2HG GLN 12 2HG GLN 12 -14.758 26.154 21.838 87 2HE2 GLN 12 2HE2 GLN 12 -16.736 27.556 22.950 88 1HE2 GLN 12 1HE2 GLN 12 -17.973 26.576 23.575 89 H ALA 13 H ALA 13 -11.446 24.268 24.583 90 HA ALA 13 HA ALA 13 -10.837 26.921 25.405 91 1HB ALA 13 1HB ALA 13 -8.848 25.025 26.261 92 2HB ALA 13 2HB ALA 13 -10.193 25.692 27.186 93 3HB ALA 13 3HB ALA 13 -10.421 24.230 26.224 94 H PHE 14 H PHE 14 -9.472 25.013 22.889 95 HA PHE 14 HA PHE 14 -6.903 26.496 22.910 96 1HB PHE 14 1HB PHE 14 -8.001 24.268 21.168 97 2HB PHE 14 2HB PHE 14 -6.332 24.831 21.191 98 HD1 PHE 14 HD1 PHE 14 -6.049 25.335 24.149 99 HD2 PHE 14 HD2 PHE 14 -7.754 22.041 21.988 100 HE1 PHE 14 HE1 PHE 14 -5.564 23.831 26.061 101 HE2 PHE 14 HE2 PHE 14 -7.272 20.536 23.899 102 HZ PHE 14 HZ PHE 14 -6.177 21.432 25.936 103 H MET 15 H MET 15 -9.729 27.575 22.091 104 HA MET 15 HA MET 15 -9.236 28.263 19.252 105 1HB MET 15 1HB MET 15 -11.492 28.826 21.202 106 2HB MET 15 2HB MET 15 -11.528 29.205 19.482 107 1HG MET 15 1HG MET 15 -11.196 26.820 18.952 108 2HG MET 15 2HG MET 15 -11.165 26.446 20.671 109 1HE MET 15 1HE MET 15 -12.988 27.514 17.620 110 2HE MET 15 2HE MET 15 -14.684 27.744 18.062 111 3HE MET 15 3HE MET 15 -13.480 28.945 18.521 112 H LYS 16 H LYS 16 -7.525 29.768 19.368 113 HA LYS 16 HA LYS 16 -7.572 32.018 21.243 114 1HB LYS 16 1HB LYS 16 -5.462 31.094 20.553 115 2HB LYS 16 2HB LYS 16 -5.896 31.220 18.848 116 1HG LYS 16 1HG LYS 16 -5.888 33.660 18.992 117 2HG LYS 16 2HG LYS 16 -5.571 33.582 20.725 118 1HD LYS 16 1HD LYS 16 -3.462 32.252 20.122 119 2HD LYS 16 2HD LYS 16 -3.744 32.765 18.458 120 1HE LYS 16 1HE LYS 16 -3.671 35.133 19.169 121 2HE LYS 16 2HE LYS 16 -3.395 34.619 20.844 122 1HZ LYS 16 1HZ LYS 16 -1.511 33.232 19.844 123 2HZ LYS 16 2HZ LYS 16 -1.654 34.234 18.480 124 3HZ LYS 16 3HZ LYS 16 -1.254 34.905 19.985 125 H ASN 17 H ASN 17 -9.430 33.283 20.800 126 HA ASN 17 HA ASN 17 -10.667 34.953 19.671 127 1HB ASN 17 1HB ASN 17 -8.188 35.654 19.402 128 2HB ASN 17 2HB ASN 17 -8.332 35.036 17.757 129 2HD2 ASN 17 2HD2 ASN 17 -8.493 37.880 19.405 130 1HD2 ASN 17 1HD2 ASN 17 -9.624 38.713 18.451 131 H GLY 18 H GLY 18 -11.641 32.556 19.030 132 1HA GLY 18 1HA GLY 18 -12.648 32.852 16.364 133 2HA GLY 18 2HA GLY 18 -12.850 31.417 17.370 134 H LYS 19 H LYS 19 -9.755 31.431 17.593 135 HA LYS 19 HA LYS 19 -9.269 30.108 14.943 136 1HB LYS 19 1HB LYS 19 -8.210 32.412 15.470 137 2HB LYS 19 2HB LYS 19 -7.198 31.534 16.616 138 1HG LYS 19 1HG LYS 19 -7.465 30.633 13.747 139 2HG LYS 19 2HG LYS 19 -6.283 31.855 14.215 140 1HD LYS 19 1HD LYS 19 -5.379 30.258 15.916 141 2HD LYS 19 2HD LYS 19 -6.494 29.034 15.310 142 1HE LYS 19 1HE LYS 19 -4.428 28.627 14.160 143 2HE LYS 19 2HE LYS 19 -5.438 29.491 12.986 144 1HZ LYS 19 1HZ LYS 19 -4.428 31.559 14.217 145 2HZ LYS 19 2HZ LYS 19 -3.172 30.473 14.579 146 3HZ LYS 19 3HZ LYS 19 -3.570 30.800 12.963 147 H LEU 20 H LEU 20 -9.111 27.937 15.378 148 HA LEU 20 HA LEU 20 -8.273 26.957 18.017 149 1HB LEU 20 1HB LEU 20 -10.074 26.060 16.378 150 2HB LEU 20 2HB LEU 20 -8.720 25.348 15.501 151 HG LEU 20 HG LEU 20 -9.425 24.863 18.412 152 1HD1 LEU 20 1HD1 LEU 20 -10.638 23.759 16.278 153 2HD1 LEU 20 2HD1 LEU 20 -9.235 22.695 16.377 154 3HD1 LEU 20 3HD1 LEU 20 -10.323 22.849 17.756 155 1HD2 LEU 20 1HD2 LEU 20 -7.048 24.149 16.718 156 2HD2 LEU 20 2HD2 LEU 20 -7.097 24.688 18.397 157 3HD2 LEU 20 3HD2 LEU 20 -7.573 23.040 17.984 158 H PHE 21 H PHE 21 -6.108 26.832 18.484 159 HA PHE 21 HA PHE 21 -4.182 26.373 16.247 160 1HB PHE 21 1HB PHE 21 -2.542 27.001 18.158 161 2HB PHE 21 2HB PHE 21 -3.587 28.271 17.528 162 HD1 PHE 21 HD1 PHE 21 -2.978 25.981 20.364 163 HD2 PHE 21 HD2 PHE 21 -5.415 29.177 18.844 164 HE1 PHE 21 HE1 PHE 21 -3.910 26.348 22.630 165 HE2 PHE 21 HE2 PHE 21 -6.346 29.543 21.114 166 HZ PHE 21 HZ PHE 21 -5.593 28.129 23.007 167 H CYS 22 H CYS 22 -5.007 24.058 16.254 168 HA CYS 22 HA CYS 22 -4.710 22.262 18.408 169 1HB CYS 22 1HB CYS 22 -5.894 21.589 16.479 170 2HB CYS 22 2HB CYS 22 -4.569 22.010 15.405 171 HA PRO 23 HA PRO 23 -0.205 21.425 16.802 172 1HB PRO 23 1HB PRO 23 0.779 23.911 15.745 173 2HB PRO 23 2HB PRO 23 0.585 22.372 14.905 174 1HG PRO 23 1HG PRO 23 -0.954 24.751 14.552 175 2HG PRO 23 2HG PRO 23 -1.204 23.185 13.776 176 1HD PRO 23 1HD PRO 23 -2.784 24.441 15.868 177 2HD PRO 23 2HD PRO 23 -3.115 22.936 14.984 178 H GLN 24 H GLN 24 -0.553 21.801 19.272 179 HA GLN 24 HA GLN 24 1.049 24.175 20.156 180 1HB GLN 24 1HB GLN 24 -0.338 23.885 22.281 181 2HB GLN 24 2HB GLN 24 -1.240 24.401 20.857 182 1HG GLN 24 1HG GLN 24 -2.178 22.255 20.532 183 2HG GLN 24 2HG GLN 24 -0.974 21.475 21.556 184 2HE2 GLN 24 2HE2 GLN 24 -1.067 22.186 23.959 185 1HE2 GLN 24 1HE2 GLN 24 -2.601 22.497 24.617 186 H ASP 25 H ASP 25 0.318 22.092 22.697 187 HA ASP 25 HA ASP 25 3.069 20.969 22.643 188 1HB ASP 25 1HB ASP 25 2.420 22.176 24.626 189 2HB ASP 25 2HB ASP 25 0.893 21.298 24.726 190 H LYS 26 H LYS 26 2.052 19.480 20.824 191 HA LYS 26 HA LYS 26 0.153 17.450 21.505 192 1HB LYS 26 1HB LYS 26 2.326 17.807 19.447 193 2HB LYS 26 2HB LYS 26 1.376 16.322 19.501 194 1HG LYS 26 1HG LYS 26 -0.703 17.796 19.460 195 2HG LYS 26 2HG LYS 26 0.368 19.146 19.085 196 1HD LYS 26 1HD LYS 26 1.193 17.933 17.094 197 2HD LYS 26 2HD LYS 26 0.104 16.595 17.465 198 1HE LYS 26 1HE LYS 26 -1.843 18.085 17.208 199 2HE LYS 26 2HE LYS 26 -0.763 19.452 16.875 200 1HZ LYS 26 1HZ LYS 26 0.229 18.017 15.085 201 2HZ LYS 26 2HZ LYS 26 -1.071 16.951 15.303 202 3HZ LYS 26 3HZ LYS 26 -1.358 18.541 14.783 203 H LYS 27 H LYS 27 3.284 17.896 22.711 204 HA LYS 27 HA LYS 27 4.596 15.482 22.826 205 1HB LYS 27 1HB LYS 27 3.973 17.568 24.919 206 2HB LYS 27 2HB LYS 27 5.044 16.215 25.272 207 1HG LYS 27 1HG LYS 27 6.510 16.844 23.420 208 2HG LYS 27 2HG LYS 27 5.409 18.141 22.959 209 1HD LYS 27 1HD LYS 27 5.762 19.182 25.204 210 2HD LYS 27 2HD LYS 27 6.948 17.927 25.564 211 1HE LYS 27 1HE LYS 27 8.247 18.655 23.532 212 2HE LYS 27 2HE LYS 27 7.111 20.005 23.350 213 1HZ LYS 27 1HZ LYS 27 7.612 20.284 25.889 214 2HZ LYS 27 2HZ LYS 27 9.054 19.476 25.495 215 3HZ LYS 27 3HZ LYS 27 8.670 20.943 24.734 216 H PHE 28 H PHE 28 1.477 16.223 24.276 217 HA PHE 28 HA PHE 28 1.122 14.308 26.243 218 1HB PHE 28 1HB PHE 28 -0.755 15.008 23.960 219 2HB PHE 28 2HB PHE 28 -1.240 14.336 25.515 220 HD1 PHE 28 HD1 PHE 28 -0.170 15.695 27.612 221 HD2 PHE 28 HD2 PHE 28 -0.968 17.306 23.712 222 HE1 PHE 28 HE1 PHE 28 -0.258 17.980 28.572 223 HE2 PHE 28 HE2 PHE 28 -1.057 19.591 24.669 224 HZ PHE 28 HZ PHE 28 -0.700 19.929 27.100 225 H PHE 29 H PHE 29 1.559 13.767 22.811 226 HA PHE 29 HA PHE 29 0.468 11.290 22.274 227 1HB PHE 29 1HB PHE 29 1.911 12.761 20.823 228 2HB PHE 29 2HB PHE 29 3.320 12.124 21.669 229 HD1 PHE 29 HD1 PHE 29 3.452 9.485 21.807 230 HD2 PHE 29 HD2 PHE 29 1.167 11.668 18.898 231 HE1 PHE 29 HE1 PHE 29 3.454 7.502 20.317 232 HE2 PHE 29 HE2 PHE 29 1.170 9.687 17.407 233 HZ PHE 29 HZ PHE 29 2.314 7.603 18.117 234 H GLN 30 H GLN 30 3.040 11.963 24.555 235 HA GLN 30 HA GLN 30 4.126 9.303 24.750 236 1HB GLN 30 1HB GLN 30 5.174 10.222 26.753 237 2HB GLN 30 2HB GLN 30 5.175 11.454 25.493 238 1HG GLN 30 1HG GLN 30 3.122 12.439 26.476 239 2HG GLN 30 2HG GLN 30 3.165 11.225 27.754 240 2HE2 GLN 30 2HE2 GLN 30 3.868 14.384 27.329 241 1HE2 GLN 30 1HE2 GLN 30 5.212 14.547 28.353 242 H SER 31 H SER 31 1.044 10.394 25.538 243 HA SER 31 HA SER 31 0.695 8.127 27.463 244 1HB SER 31 1HB SER 31 0.924 10.199 28.733 245 2HB SER 31 2HB SER 31 -0.283 10.988 27.719 246 HG SER 31 HG SER 31 -1.846 9.711 28.561 247 H LEU 32 H LEU 32 -1.449 7.213 27.421 248 HA LEU 32 HA LEU 32 -2.761 7.008 24.953 249 1HB LEU 32 1HB LEU 32 -2.955 5.791 27.311 250 2HB LEU 32 2HB LEU 32 -4.321 6.890 27.504 251 HG LEU 32 HG LEU 32 -4.006 5.247 24.996 252 1HD1 LEU 32 1HD1 LEU 32 -3.946 3.755 27.033 253 2HD1 LEU 32 2HD1 LEU 32 -5.528 4.398 27.475 254 3HD1 LEU 32 3HD1 LEU 32 -5.334 3.484 25.979 255 1HD2 LEU 32 1HD2 LEU 32 -6.317 6.559 26.455 256 2HD2 LEU 32 2HD2 LEU 32 -5.639 7.028 24.895 257 3HD2 LEU 32 3HD2 LEU 32 -6.516 5.507 25.053 258 H ASP 33 H ASP 33 -3.605 9.139 27.690 259 HA ASP 33 HA ASP 33 -5.874 10.402 26.572 260 1HB ASP 33 1HB ASP 33 -3.653 11.366 28.402 261 2HB ASP 33 2HB ASP 33 -5.118 12.301 28.102 262 H GLY 34 H GLY 34 -2.417 11.064 26.151 263 1HA GLY 34 1HA GLY 34 -1.307 12.472 24.627 264 2HA GLY 34 2HA GLY 34 -2.787 13.423 24.526 265 H ILE 35 H ILE 35 -1.965 10.046 23.720 266 HA ILE 35 HA ILE 35 -2.055 10.237 20.912 267 HB ILE 35 HB ILE 35 -2.666 8.117 22.961 268 1HG1 ILE 35 1HG1 ILE 35 -0.332 8.678 22.495 269 2HG1 ILE 35 2HG1 ILE 35 -0.685 7.070 21.860 270 1HG2 ILE 35 1HG2 ILE 35 -2.959 7.824 19.954 271 2HG2 ILE 35 2HG2 ILE 35 -2.887 6.473 21.086 272 3HG2 ILE 35 3HG2 ILE 35 -4.231 7.612 21.157 273 1HD1 ILE 35 1HD1 ILE 35 -1.358 8.899 19.807 274 2HD1 ILE 35 2HD1 ILE 35 0.205 9.417 20.437 275 3HD1 ILE 35 3HD1 ILE 35 0.000 7.773 19.832 276 H MET 36 H MET 36 -4.663 10.141 23.279 277 HA MET 36 HA MET 36 -6.800 9.732 21.336 278 1HB MET 36 1HB MET 36 -6.421 10.169 24.215 279 2HB MET 36 2HB MET 36 -7.879 10.933 23.580 280 1HG MET 36 1HG MET 36 -8.398 8.710 22.445 281 2HG MET 36 2HG MET 36 -7.096 8.012 23.409 282 1HE MET 36 1HE MET 36 -10.291 7.669 23.029 283 2HE MET 36 2HE MET 36 -11.253 7.995 24.477 284 3HE MET 36 3HE MET 36 -10.806 9.313 23.396 285 H PHE 37 H PHE 37 -6.179 12.580 23.436 286 HA PHE 37 HA PHE 37 -7.740 14.411 21.994 287 1HB PHE 37 1HB PHE 37 -6.993 15.694 23.700 288 2HB PHE 37 2HB PHE 37 -5.905 14.384 24.153 289 HD1 PHE 37 HD1 PHE 37 -3.587 14.303 23.087 290 HD2 PHE 37 HD2 PHE 37 -6.160 17.725 22.833 291 HE1 PHE 37 HE1 PHE 37 -1.648 15.712 22.469 292 HE2 PHE 37 HE2 PHE 37 -4.221 19.137 22.207 293 HZ PHE 37 HZ PHE 37 -1.967 18.121 22.021 294 H ILE 38 H ILE 38 -4.272 13.614 21.494 295 HA ILE 38 HA ILE 38 -3.695 15.399 19.395 296 HB ILE 38 HB ILE 38 -2.857 12.548 19.986 297 1HG1 ILE 38 1HG1 ILE 38 -1.670 15.289 20.461 298 2HG1 ILE 38 2HG1 ILE 38 -2.092 14.069 21.660 299 1HG2 ILE 38 1HG2 ILE 38 -2.621 13.155 17.537 300 2HG2 ILE 38 2HG2 ILE 38 -1.537 14.453 18.035 301 3HG2 ILE 38 3HG2 ILE 38 -1.102 12.772 18.347 302 1HD1 ILE 38 1HD1 ILE 38 -0.362 12.595 20.307 303 2HD1 ILE 38 2HD1 ILE 38 0.259 14.167 19.804 304 3HD1 ILE 38 3HD1 ILE 38 0.204 13.747 21.516 305 H ASN 39 H ASN 39 -5.477 12.345 19.370 306 HA ASN 39 HA ASN 39 -5.727 12.236 16.460 307 1HB ASN 39 1HB ASN 39 -6.729 10.772 18.869 308 2HB ASN 39 2HB ASN 39 -7.603 10.551 17.353 309 2HD2 ASN 39 2HD2 ASN 39 -4.101 11.178 17.542 310 1HD2 ASN 39 1HD2 ASN 39 -3.626 9.656 16.957 311 H LYS 40 H LYS 40 -7.681 13.389 19.173 312 HA LYS 40 HA LYS 40 -10.030 13.999 17.552 313 1HB LYS 40 1HB LYS 40 -9.048 14.606 20.345 314 2HB LYS 40 2HB LYS 40 -10.552 15.301 19.740 315 1HG LYS 40 1HG LYS 40 -11.368 13.008 19.218 316 2HG LYS 40 2HG LYS 40 -9.886 12.345 19.907 317 1HD LYS 40 1HD LYS 40 -10.618 13.897 21.967 318 2HD LYS 40 2HD LYS 40 -12.216 13.612 21.275 319 1HE LYS 40 1HE LYS 40 -11.801 11.162 21.353 320 2HE LYS 40 2HE LYS 40 -10.217 11.467 22.090 321 1HZ LYS 40 1HZ LYS 40 -12.471 12.869 23.279 322 2HZ LYS 40 2HZ LYS 40 -12.466 11.185 23.506 323 3HZ LYS 40 3HZ LYS 40 -11.147 12.118 24.029 324 H CYS 41 H CYS 41 -7.021 15.566 18.272 325 HA CYS 41 HA CYS 41 -7.643 18.310 18.083 326 1HB CYS 41 1HB CYS 41 -5.416 16.792 18.335 327 2HB CYS 41 2HB CYS 41 -5.246 17.274 16.647 328 H ALA 42 H ALA 42 -6.380 16.359 15.357 329 HA ALA 42 HA ALA 42 -7.071 18.181 13.298 330 1HB ALA 42 1HB ALA 42 -6.166 15.443 13.645 331 2HB ALA 42 2HB ALA 42 -5.822 16.563 12.326 332 3HB ALA 42 3HB ALA 42 -7.274 15.564 12.280 333 H THR 43 H THR 43 -8.974 15.671 14.902 334 HA THR 43 HA THR 43 -11.197 15.669 13.070 335 HB THR 43 HB THR 43 -10.960 14.997 16.021 336 HG1 THR 43 HG1 THR 43 -9.681 13.908 14.234 337 1HG2 THR 43 1HG2 THR 43 -13.174 14.808 14.058 338 2HG2 THR 43 2HG2 THR 43 -12.905 13.378 15.055 339 3HG2 THR 43 3HG2 THR 43 -13.235 14.934 15.816 340 H CYS 44 H CYS 44 -10.861 17.181 16.312 341 HA CYS 44 HA CYS 44 -13.302 18.657 16.211 342 1HB CYS 44 1HB CYS 44 -10.680 19.215 17.641 343 2HB CYS 44 2HB CYS 44 -12.245 19.906 18.073 344 H LYS 45 H LYS 45 -10.116 19.310 14.873 345 HA LYS 45 HA LYS 45 -10.371 22.133 14.463 346 1HB LYS 45 1HB LYS 45 -8.262 20.916 14.312 347 2HB LYS 45 2HB LYS 45 -8.879 19.952 12.969 348 1HG LYS 45 1HG LYS 45 -9.306 22.375 11.923 349 2HG LYS 45 2HG LYS 45 -7.984 22.802 13.009 350 1HD LYS 45 1HD LYS 45 -6.646 20.919 12.029 351 2HD LYS 45 2HD LYS 45 -7.944 20.660 10.863 352 1HE LYS 45 1HE LYS 45 -7.661 22.964 10.018 353 2HE LYS 45 2HE LYS 45 -6.371 23.241 11.202 354 1HZ LYS 45 1HZ LYS 45 -5.429 21.052 10.226 355 2HZ LYS 45 2HZ LYS 45 -6.408 21.410 8.888 356 3HZ LYS 45 3HZ LYS 45 -5.196 22.499 9.367 357 H MET 46 H MET 46 -11.019 19.398 12.228 358 HA MET 46 HA MET 46 -11.959 20.954 10.042 359 1HB MET 46 1HB MET 46 -12.953 18.817 9.329 360 2HB MET 46 2HB MET 46 -11.349 18.549 10.007 361 1HG MET 46 1HG MET 46 -12.175 17.274 11.677 362 2HG MET 46 2HG MET 46 -13.423 18.458 12.054 363 1HE MET 46 1HE MET 46 -12.304 15.380 10.625 364 2HE MET 46 2HE MET 46 -13.610 14.650 9.694 365 3HE MET 46 3HE MET 46 -12.598 15.889 8.958 366 H ILE 47 H ILE 47 -13.513 20.039 13.045 367 HA ILE 47 HA ILE 47 -16.250 20.333 12.349 368 HB ILE 47 HB ILE 47 -14.826 21.141 14.908 369 1HG1 ILE 47 1HG1 ILE 47 -14.127 18.911 14.403 370 2HG1 ILE 47 2HG1 ILE 47 -15.438 18.751 15.569 371 1HG2 ILE 47 1HG2 ILE 47 -17.285 21.760 14.574 372 2HG2 ILE 47 2HG2 ILE 47 -17.617 20.028 14.554 373 3HG2 ILE 47 3HG2 ILE 47 -16.924 20.776 15.992 374 1HD1 ILE 47 1HD1 ILE 47 -15.757 18.539 12.559 375 2HD1 ILE 47 2HD1 ILE 47 -15.679 17.166 13.665 376 3HD1 ILE 47 3HD1 ILE 47 -17.027 18.300 13.759 377 H LEU 48 H LEU 48 -13.832 22.763 13.325 378 HA LEU 48 HA LEU 48 -15.623 25.019 13.323 379 1HB LEU 48 1HB LEU 48 -12.643 24.581 13.085 380 2HB LEU 48 2HB LEU 48 -13.330 26.203 13.016 381 HG LEU 48 HG LEU 48 -12.661 25.620 15.319 382 1HD1 LEU 48 1HD1 LEU 48 -14.941 26.843 14.566 383 2HD1 LEU 48 2HD1 LEU 48 -15.631 25.493 15.465 384 3HD1 LEU 48 3HD1 LEU 48 -14.514 26.601 16.260 385 1HD2 LEU 48 1HD2 LEU 48 -13.056 23.141 14.989 386 2HD2 LEU 48 2HD2 LEU 48 -13.687 23.789 16.502 387 3HD2 LEU 48 3HD2 LEU 48 -14.782 23.464 15.158 388 H GLU 49 H GLU 49 -13.553 23.525 10.850 389 HA GLU 49 HA GLU 49 -13.881 25.500 8.806 390 1HB GLU 49 1HB GLU 49 -13.471 22.494 8.659 391 2HB GLU 49 2HB GLU 49 -13.152 23.627 7.347 392 1HG GLU 49 1HG GLU 49 -11.495 24.793 8.770 393 2HG GLU 49 2HG GLU 49 -11.802 23.636 10.065 394 H LYS 50 H LYS 50 -15.989 22.954 9.967 395 HA LYS 50 HA LYS 50 -17.695 22.704 7.670 396 1HB LYS 50 1HB LYS 50 -18.084 22.297 10.650 397 2HB LYS 50 2HB LYS 50 -19.277 21.812 9.445 398 1HG LYS 50 1HG LYS 50 -17.574 20.383 8.351 399 2HG LYS 50 2HG LYS 50 -16.402 20.851 9.582 400 1HD LYS 50 1HD LYS 50 -17.363 18.709 10.209 401 2HD LYS 50 2HD LYS 50 -17.956 19.938 11.327 402 1HE LYS 50 1HE LYS 50 -20.064 20.102 10.070 403 2HE LYS 50 2HE LYS 50 -19.465 18.924 8.887 404 1HZ LYS 50 1HZ LYS 50 -19.034 17.441 10.874 405 2HZ LYS 50 2HZ LYS 50 -19.991 18.515 11.779 406 3HZ LYS 50 3HZ LYS 50 -20.667 17.676 10.468 407 H GLU 51 H GLU 51 -17.799 24.839 10.525 408 HA GLU 51 HA GLU 51 -20.329 26.060 9.989 409 1HB GLU 51 1HB GLU 51 -17.818 27.095 11.347 410 2HB GLU 51 2HB GLU 51 -19.423 27.806 11.518 411 1HG GLU 51 1HG GLU 51 -20.265 25.666 12.433 412 2HG GLU 51 2HG GLU 51 -18.651 24.973 12.280 413 H ALA 52 H ALA 52 -17.150 26.546 8.599 414 HA ALA 52 HA ALA 52 -17.676 29.173 7.470 415 1HB ALA 52 1HB ALA 52 -15.550 27.270 7.726 416 2HB ALA 52 2HB ALA 52 -15.690 27.710 6.024 417 3HB ALA 52 3HB ALA 52 -15.441 28.961 7.242 418 H LYS 53 H LYS 53 -18.398 25.892 6.536 419 HA LYS 53 HA LYS 53 -18.760 26.447 3.690 420 1HB LYS 53 1HB LYS 53 -19.502 24.193 5.575 421 2HB LYS 53 2HB LYS 53 -19.831 24.136 3.843 422 1HG LYS 53 1HG LYS 53 -17.387 24.553 3.432 423 2HG LYS 53 2HG LYS 53 -17.119 24.413 5.170 424 1HD LYS 53 1HD LYS 53 -18.075 22.128 5.122 425 2HD LYS 53 2HD LYS 53 -18.305 22.270 3.379 426 1HE LYS 53 1HE LYS 53 -15.894 22.485 3.035 427 2HE LYS 53 2HE LYS 53 -15.617 22.491 4.786 428 1HZ LYS 53 1HZ LYS 53 -16.733 20.319 4.895 429 2HZ LYS 53 2HZ LYS 53 -16.884 20.308 3.206 430 3HZ LYS 53 3HZ LYS 53 -15.342 20.258 3.920 431 H SER 54 H SER 54 -20.856 26.259 6.555 432 HA SER 54 HA SER 54 -23.369 26.413 5.165 433 1HB SER 54 1HB SER 54 -22.477 27.224 7.950 434 2HB SER 54 2HB SER 54 -24.163 27.090 7.449 435 HG SER 54 HG SER 54 -24.022 24.986 7.467 436 H GLN 55 H GLN 55 -20.924 28.771 5.843 437 HA GLN 55 HA GLN 55 -22.825 31.021 5.333 438 1HB GLN 55 1HB GLN 55 -21.383 31.055 7.352 439 2HB GLN 55 2HB GLN 55 -19.955 30.952 6.322 440 1HG GLN 55 1HG GLN 55 -20.505 33.087 5.277 441 2HG GLN 55 2HG GLN 55 -22.013 33.175 6.186 442 2HE2 GLN 55 2HE2 GLN 55 -21.439 35.079 7.409 443 1HE2 GLN 55 1HE2 GLN 55 -20.196 35.074 8.565 No H/Q in entry = 443 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -24.939 9.088 14.983 2 H2 LYS 1 H2 LYS 1 -24.204 7.559 14.977 3 H3 LYS 1 H3 LYS 1 -25.184 8.024 16.284 4 HA LYS 1 HA LYS 1 -23.613 9.617 17.039 5 1HB LYS 1 1HB LYS 1 -23.330 7.091 17.380 6 2HB LYS 1 2HB LYS 1 -22.091 7.163 16.127 7 1HG LYS 1 1HG LYS 1 -20.791 8.750 17.430 8 2HG LYS 1 2HG LYS 1 -22.072 8.865 18.636 9 1HD LYS 1 1HD LYS 1 -21.779 6.486 19.194 10 2HD LYS 1 2HD LYS 1 -20.525 6.343 17.963 11 1HE LYS 1 1HE LYS 1 -19.244 8.161 19.200 12 2HE LYS 1 2HE LYS 1 -20.429 7.993 20.509 13 1HZ LYS 1 1HZ LYS 1 -19.970 5.544 20.404 14 2HZ LYS 1 2HZ LYS 1 -18.658 5.891 19.381 15 3HZ LYS 1 3HZ LYS 1 -18.670 6.480 20.971 16 H ASN 2 H ASN 2 -23.231 11.391 15.592 17 HA ASN 2 HA ASN 2 -20.996 10.959 13.633 18 1HB ASN 2 1HB ASN 2 -23.257 11.438 12.672 19 2HB ASN 2 2HB ASN 2 -23.276 12.962 13.559 20 2HD2 ASN 2 2HD2 ASN 2 -23.391 13.938 11.283 21 1HD2 ASN 2 1HD2 ASN 2 -21.936 14.164 10.438 22 H GLU 3 H GLU 3 -19.173 12.122 14.112 23 HA GLU 3 HA GLU 3 -18.897 13.774 16.409 24 1HB GLU 3 1HB GLU 3 -17.311 13.686 13.822 25 2HB GLU 3 2HB GLU 3 -16.731 14.352 15.349 26 1HG GLU 3 1HG GLU 3 -16.867 12.184 16.418 27 2HG GLU 3 2HG GLU 3 -17.662 11.486 15.008 28 H ASP 4 H ASP 4 -19.807 14.539 13.091 29 HA ASP 4 HA ASP 4 -19.491 17.400 13.248 30 1HB ASP 4 1HB ASP 4 -21.129 15.485 11.574 31 2HB ASP 4 2HB ASP 4 -21.156 17.225 11.293 32 H GLN 5 H GLN 5 -21.702 15.259 14.710 33 HA GLN 5 HA GLN 5 -23.875 17.270 14.936 34 1HB GLN 5 1HB GLN 5 -23.478 14.350 15.564 35 2HB GLN 5 2HB GLN 5 -24.842 15.225 16.260 36 1HG GLN 5 1HG GLN 5 -25.494 15.942 13.951 37 2HG GLN 5 2HG GLN 5 -24.200 14.931 13.311 38 2HE2 GLN 5 2HE2 GLN 5 -25.366 13.212 12.361 39 1HE2 GLN 5 1HE2 GLN 5 -26.482 12.246 13.199 40 H GLU 6 H GLU 6 -21.640 15.408 16.971 41 HA GLU 6 HA GLU 6 -22.419 16.870 19.407 42 1HB GLU 6 1HB GLU 6 -20.254 14.846 18.735 43 2HB GLU 6 2HB GLU 6 -20.599 15.424 20.366 44 1HG GLU 6 1HG GLU 6 -22.693 14.374 20.432 45 2HG GLU 6 2HG GLU 6 -22.810 14.281 18.676 46 H MET 7 H MET 7 -20.327 17.357 16.770 47 HA MET 7 HA MET 7 -18.672 18.967 16.340 48 1HB MET 7 1HB MET 7 -19.796 20.107 18.920 49 2HB MET 7 2HB MET 7 -18.879 21.001 17.707 50 1HG MET 7 1HG MET 7 -20.648 20.446 16.029 51 2HG MET 7 2HG MET 7 -21.584 19.686 17.316 52 1HE MET 7 1HE MET 7 -23.190 21.148 16.102 53 2HE MET 7 2HE MET 7 -23.655 22.743 16.690 54 3HE MET 7 3HE MET 7 -22.447 22.586 15.407 55 H CYS 8 H CYS 8 -17.046 20.398 18.149 56 HA CYS 8 HA CYS 8 -15.708 18.248 19.752 57 1HB CYS 8 1HB CYS 8 -14.511 18.373 17.694 58 2HB CYS 8 2HB CYS 8 -14.620 20.133 17.652 59 H HIS 9 H HIS 9 -15.565 18.975 21.842 60 HA HIS 9 HA HIS 9 -15.373 21.934 22.303 61 1HB HIS 9 1HB HIS 9 -16.405 19.703 24.087 62 2HB HIS 9 2HB HIS 9 -16.496 21.431 24.429 63 HD1 HIS 9 HD1 HIS 9 -18.107 22.864 22.903 64 HD2 HIS 9 HD2 HIS 9 -18.365 18.746 22.305 65 HE1 HIS 9 HE1 HIS 9 -20.229 22.463 21.579 66 H GLU 10 H GLU 10 -13.773 18.900 22.699 67 HA GLU 10 HA GLU 10 -12.231 19.313 25.042 68 1HB GLU 10 1HB GLU 10 -12.456 17.239 23.631 69 2HB GLU 10 2HB GLU 10 -11.395 17.993 22.440 70 1HG GLU 10 1HG GLU 10 -9.651 18.235 24.217 71 2HG GLU 10 2HG GLU 10 -10.705 17.356 25.324 72 H PHE 11 H PHE 11 -11.489 20.218 21.656 73 HA PHE 11 HA PHE 11 -9.054 21.653 22.505 74 1HB PHE 11 1HB PHE 11 -10.473 21.051 19.913 75 2HB PHE 11 2HB PHE 11 -9.085 22.132 19.964 76 HD1 PHE 11 HD1 PHE 11 -10.151 18.727 21.134 77 HD2 PHE 11 HD2 PHE 11 -6.939 21.239 19.787 78 HE1 PHE 11 HE1 PHE 11 -8.627 16.775 21.128 79 HE2 PHE 11 HE2 PHE 11 -5.414 19.286 19.783 80 HZ PHE 11 HZ PHE 11 -6.258 17.058 20.457 81 H GLN 12 H GLN 12 -12.361 22.374 22.300 82 HA GLN 12 HA GLN 12 -12.650 24.878 21.165 83 1HB GLN 12 1HB GLN 12 -14.380 23.542 22.357 84 2HB GLN 12 2HB GLN 12 -13.641 23.992 23.894 85 1HG GLN 12 1HG GLN 12 -13.998 26.405 23.282 86 2HG GLN 12 2HG GLN 12 -14.889 25.863 21.859 87 2HE2 GLN 12 2HE2 GLN 12 -16.794 27.007 22.907 88 1HE2 GLN 12 1HE2 GLN 12 -17.675 26.187 24.104 89 H ALA 13 H ALA 13 -11.371 24.240 24.451 90 HA ALA 13 HA ALA 13 -10.876 26.926 25.213 91 1HB ALA 13 1HB ALA 13 -9.809 25.912 26.995 92 2HB ALA 13 2HB ALA 13 -8.954 24.767 25.963 93 3HB ALA 13 3HB ALA 13 -10.654 24.503 26.353 94 H PHE 14 H PHE 14 -9.305 24.963 22.839 95 HA PHE 14 HA PHE 14 -6.799 26.526 22.868 96 1HB PHE 14 1HB PHE 14 -7.858 24.351 21.036 97 2HB PHE 14 2HB PHE 14 -6.195 24.925 21.100 98 HD1 PHE 14 HD1 PHE 14 -6.434 25.322 24.264 99 HD2 PHE 14 HD2 PHE 14 -7.098 22.055 21.559 100 HE1 PHE 14 HE1 PHE 14 -5.950 23.713 26.088 101 HE2 PHE 14 HE2 PHE 14 -6.616 20.445 23.380 102 HZ PHE 14 HZ PHE 14 -6.041 21.273 25.647 103 H MET 15 H MET 15 -9.736 27.427 21.920 104 HA MET 15 HA MET 15 -8.978 28.337 19.194 105 1HB MET 15 1HB MET 15 -11.331 28.608 18.902 106 2HB MET 15 2HB MET 15 -11.143 27.116 19.813 107 1HG MET 15 1HG MET 15 -11.384 28.627 21.913 108 2HG MET 15 2HG MET 15 -12.037 29.824 20.793 109 1HE MET 15 1HE MET 15 -14.146 29.719 19.558 110 2HE MET 15 2HE MET 15 -13.554 28.330 18.637 111 3HE MET 15 3HE MET 15 -15.170 28.303 19.338 112 H LYS 16 H LYS 16 -8.103 30.355 19.062 113 HA LYS 16 HA LYS 16 -8.605 32.334 21.222 114 1HB LYS 16 1HB LYS 16 -6.299 31.836 20.552 115 2HB LYS 16 2HB LYS 16 -6.685 32.207 18.871 116 1HG LYS 16 1HG LYS 16 -5.542 34.088 20.116 117 2HG LYS 16 2HG LYS 16 -7.094 34.526 19.404 118 1HD LYS 16 1HD LYS 16 -8.211 34.357 21.518 119 2HD LYS 16 2HD LYS 16 -6.815 33.582 22.266 120 1HE LYS 16 1HE LYS 16 -5.498 35.654 21.987 121 2HE LYS 16 2HE LYS 16 -6.890 36.435 21.212 122 1HZ LYS 16 1HZ LYS 16 -7.117 35.117 23.854 123 2HZ LYS 16 2HZ LYS 16 -6.626 36.738 23.724 124 3HZ LYS 16 3HZ LYS 16 -8.155 36.262 23.156 125 H ASN 17 H ASN 17 -10.829 32.820 20.509 126 HA ASN 17 HA ASN 17 -12.399 34.141 19.347 127 1HB ASN 17 1HB ASN 17 -9.800 35.405 18.414 128 2HB ASN 17 2HB ASN 17 -11.395 36.137 18.245 129 2HD2 ASN 17 2HD2 ASN 17 -8.812 36.628 20.051 130 1HD2 ASN 17 1HD2 ASN 17 -9.500 36.921 21.574 131 H GLY 18 H GLY 18 -12.114 31.737 18.127 132 1HA GLY 18 1HA GLY 18 -12.406 32.455 15.277 133 2HA GLY 18 2HA GLY 18 -12.871 30.920 16.007 134 H LYS 19 H LYS 19 -9.741 32.002 16.898 135 HA LYS 19 HA LYS 19 -8.413 30.561 14.664 136 1HB LYS 19 1HB LYS 19 -7.737 32.840 15.620 137 2HB LYS 19 2HB LYS 19 -7.179 31.964 17.046 138 1HG LYS 19 1HG LYS 19 -6.273 31.274 14.241 139 2HG LYS 19 2HG LYS 19 -5.405 32.411 15.272 140 1HD LYS 19 1HD LYS 19 -5.495 30.485 17.040 141 2HD LYS 19 2HD LYS 19 -5.814 29.451 15.647 142 1HE LYS 19 1HE LYS 19 -3.525 31.396 15.506 143 2HE LYS 19 2HE LYS 19 -3.317 29.877 16.401 144 1HZ LYS 19 1HZ LYS 19 -4.607 29.869 13.748 145 2HZ LYS 19 2HZ LYS 19 -2.911 29.909 13.849 146 3HZ LYS 19 3HZ LYS 19 -3.770 28.617 14.534 147 H LEU 20 H LEU 20 -7.734 28.459 14.921 148 HA LEU 20 HA LEU 20 -7.746 27.323 17.693 149 1HB LEU 20 1HB LEU 20 -9.305 26.242 16.235 150 2HB LEU 20 2HB LEU 20 -8.136 26.185 14.915 151 HG LEU 20 HG LEU 20 -6.711 24.672 16.317 152 1HD1 LEU 20 1HD1 LEU 20 -9.106 24.903 18.153 153 2HD1 LEU 20 2HD1 LEU 20 -7.951 23.574 18.259 154 3HD1 LEU 20 3HD1 LEU 20 -7.416 25.232 18.535 155 1HD2 LEU 20 1HD2 LEU 20 -8.439 23.864 14.637 156 2HD2 LEU 20 2HD2 LEU 20 -8.017 22.702 15.893 157 3HD2 LEU 20 3HD2 LEU 20 -9.527 23.606 16.001 158 H PHE 21 H PHE 21 -5.694 27.154 18.528 159 HA PHE 21 HA PHE 21 -3.427 26.724 16.627 160 1HB PHE 21 1HB PHE 21 -2.076 27.424 18.664 161 2HB PHE 21 2HB PHE 21 -3.166 28.655 18.031 162 HD1 PHE 21 HD1 PHE 21 -5.201 29.287 19.239 163 HD2 PHE 21 HD2 PHE 21 -2.524 26.309 20.795 164 HE1 PHE 21 HE1 PHE 21 -6.301 29.453 21.456 165 HE2 PHE 21 HE2 PHE 21 -3.624 26.475 23.008 166 HZ PHE 21 HZ PHE 21 -5.512 28.048 23.340 167 H CYS 22 H CYS 22 -4.390 24.413 16.571 168 HA CYS 22 HA CYS 22 -4.313 22.609 18.739 169 1HB CYS 22 1HB CYS 22 -4.846 22.553 16.049 170 2HB CYS 22 2HB CYS 22 -3.373 21.588 16.135 171 HA PRO 23 HA PRO 23 0.275 21.624 17.462 172 1HB PRO 23 1HB PRO 23 1.363 24.054 16.371 173 2HB PRO 23 2HB PRO 23 1.199 22.483 15.586 174 1HG PRO 23 1HG PRO 23 -0.291 24.864 15.052 175 2HG PRO 23 2HG PRO 23 -0.502 23.273 14.316 176 1HD PRO 23 1HD PRO 23 -2.214 24.606 16.236 177 2HD PRO 23 2HD PRO 23 -2.484 23.049 15.422 178 H GLN 24 H GLN 24 0.035 21.918 19.829 179 HA GLN 24 HA GLN 24 1.491 24.346 20.824 180 1HB GLN 24 1HB GLN 24 -0.801 24.545 21.470 181 2HB GLN 24 2HB GLN 24 -0.908 22.833 21.878 182 1HG GLN 24 1HG GLN 24 0.846 23.275 23.672 183 2HG GLN 24 2HG GLN 24 0.612 24.994 23.358 184 2HE2 GLN 24 2HE2 GLN 24 -1.159 22.035 24.356 185 1HE2 GLN 24 1HE2 GLN 24 -2.373 22.861 25.208 186 H ASP 25 H ASP 25 0.376 21.434 22.499 187 HA ASP 25 HA ASP 25 3.220 20.575 22.878 188 1HB ASP 25 1HB ASP 25 1.953 21.976 24.748 189 2HB ASP 25 2HB ASP 25 1.218 20.414 25.107 190 H LYS 26 H LYS 26 2.424 19.010 21.150 191 HA LYS 26 HA LYS 26 0.328 17.110 21.711 192 1HB LYS 26 1HB LYS 26 2.587 17.459 19.783 193 2HB LYS 26 2HB LYS 26 1.815 15.877 19.871 194 1HG LYS 26 1HG LYS 26 -0.386 16.927 19.487 195 2HG LYS 26 2HG LYS 26 0.384 18.512 19.405 196 1HD LYS 26 1HD LYS 26 1.869 17.385 17.551 197 2HD LYS 26 2HD LYS 26 0.540 16.229 17.457 198 1HE LYS 26 1HE LYS 26 -1.043 18.153 17.132 199 2HE LYS 26 2HE LYS 26 0.358 19.239 17.070 200 1HZ LYS 26 1HZ LYS 26 0.094 16.810 15.378 201 2HZ LYS 26 2HZ LYS 26 -0.395 18.348 14.858 202 3HZ LYS 26 3HZ LYS 26 1.238 18.058 15.227 203 H LYS 27 H LYS 27 3.307 17.486 23.211 204 HA LYS 27 HA LYS 27 4.571 15.053 23.459 205 1HB LYS 27 1HB LYS 27 3.753 17.117 25.514 206 2HB LYS 27 2HB LYS 27 4.834 15.783 25.908 207 1HG LYS 27 1HG LYS 27 5.290 17.837 23.722 208 2HG LYS 27 2HG LYS 27 6.116 17.795 25.280 209 1HD LYS 27 1HD LYS 27 6.873 15.436 24.670 210 2HD LYS 27 2HD LYS 27 6.282 15.765 23.041 211 1HE LYS 27 1HE LYS 27 7.757 17.891 23.128 212 2HE LYS 27 2HE LYS 27 8.538 17.128 24.525 213 1HZ LYS 27 1HZ LYS 27 8.045 15.461 22.173 214 2HZ LYS 27 2HZ LYS 27 9.290 16.611 22.047 215 3HZ LYS 27 3HZ LYS 27 9.346 15.432 23.264 216 H PHE 28 H PHE 28 1.349 15.866 24.606 217 HA PHE 28 HA PHE 28 0.780 13.924 26.514 218 1HB PHE 28 1HB PHE 28 -0.938 14.704 24.136 219 2HB PHE 28 2HB PHE 28 -1.511 14.137 25.702 220 HD1 PHE 28 HD1 PHE 28 -0.070 15.533 27.696 221 HD2 PHE 28 HD2 PHE 28 -1.354 16.981 23.861 222 HE1 PHE 28 HE1 PHE 28 -0.042 17.857 28.564 223 HE2 PHE 28 HE2 PHE 28 -1.325 19.304 24.728 224 HZ PHE 28 HZ PHE 28 -0.670 19.742 27.080 225 H PHE 29 H PHE 29 1.484 13.440 23.122 226 HA PHE 29 HA PHE 29 0.302 10.979 22.517 227 1HB PHE 29 1HB PHE 29 1.714 12.421 21.045 228 2HB PHE 29 2HB PHE 29 3.141 11.881 21.926 229 HD1 PHE 29 HD1 PHE 29 3.503 9.297 22.083 230 HD2 PHE 29 HD2 PHE 29 0.954 11.196 19.193 231 HE1 PHE 29 HE1 PHE 29 3.624 7.277 20.649 232 HE2 PHE 29 HE2 PHE 29 1.074 9.175 17.760 233 HZ PHE 29 HZ PHE 29 2.409 7.216 18.488 234 H GLN 30 H GLN 30 2.754 11.629 24.897 235 HA GLN 30 HA GLN 30 4.028 9.079 25.049 236 1HB GLN 30 1HB GLN 30 3.487 11.351 26.964 237 2HB GLN 30 2HB GLN 30 4.401 9.930 27.466 238 1HG GLN 30 1HG GLN 30 5.730 10.420 25.215 239 2HG GLN 30 2HG GLN 30 5.126 12.054 25.485 240 2HE2 GLN 30 2HE2 GLN 30 6.449 13.314 26.799 241 1HE2 GLN 30 1HE2 GLN 30 7.535 12.712 27.954 242 H SER 31 H SER 31 0.786 9.915 25.706 243 HA SER 31 HA SER 31 0.415 7.332 27.164 244 1HB SER 31 1HB SER 31 -0.481 10.108 27.974 245 2HB SER 31 2HB SER 31 -1.176 8.645 28.674 246 HG SER 31 HG SER 31 0.501 9.224 29.975 247 H LEU 32 H LEU 32 -1.897 6.631 27.123 248 HA LEU 32 HA LEU 32 -3.084 6.794 24.541 249 1HB LEU 32 1HB LEU 32 -3.336 5.229 26.716 250 2HB LEU 32 2HB LEU 32 -4.764 6.240 26.935 251 HG LEU 32 HG LEU 32 -4.120 4.851 24.323 252 1HD1 LEU 32 1HD1 LEU 32 -5.515 3.882 26.791 253 2HD1 LEU 32 2HD1 LEU 32 -6.160 3.405 25.221 254 3HD1 LEU 32 3HD1 LEU 32 -4.503 2.990 25.656 255 1HD2 LEU 32 1HD2 LEU 32 -6.506 6.302 25.478 256 2HD2 LEU 32 2HD2 LEU 32 -5.647 6.637 23.974 257 3HD2 LEU 32 3HD2 LEU 32 -6.663 5.202 24.109 258 H ASP 33 H ASP 33 -4.220 8.259 27.601 259 HA ASP 33 HA ASP 33 -6.361 9.768 26.574 260 1HB ASP 33 1HB ASP 33 -4.359 10.232 28.802 261 2HB ASP 33 2HB ASP 33 -5.742 11.298 28.553 262 H GLY 34 H GLY 34 -2.897 10.491 26.662 263 1HA GLY 34 1HA GLY 34 -1.678 12.235 25.647 264 2HA GLY 34 2HA GLY 34 -3.187 13.142 25.521 265 H ILE 35 H ILE 35 -2.427 9.915 24.265 266 HA ILE 35 HA ILE 35 -1.951 10.595 21.557 267 HB ILE 35 HB ILE 35 -2.986 8.216 23.074 268 1HG1 ILE 35 1HG1 ILE 35 -0.543 8.899 22.927 269 2HG1 ILE 35 2HG1 ILE 35 -0.891 7.253 22.400 270 1HG2 ILE 35 1HG2 ILE 35 -3.320 8.723 20.182 271 2HG2 ILE 35 2HG2 ILE 35 -2.550 7.186 20.575 272 3HG2 ILE 35 3HG2 ILE 35 -4.145 7.565 21.223 273 1HD1 ILE 35 1HD1 ILE 35 -0.841 9.564 20.454 274 2HD1 ILE 35 2HD1 ILE 35 0.622 8.672 20.871 275 3HD1 ILE 35 3HD1 ILE 35 -0.729 7.839 20.105 276 H MET 36 H MET 36 -4.975 10.199 23.357 277 HA MET 36 HA MET 36 -6.795 10.135 21.163 278 1HB MET 36 1HB MET 36 -6.893 11.087 24.022 279 2HB MET 36 2HB MET 36 -8.303 11.236 22.975 280 1HG MET 36 1HG MET 36 -6.811 8.661 23.572 281 2HG MET 36 2HG MET 36 -8.373 9.121 24.249 282 1HE MET 36 1HE MET 36 -10.252 9.244 23.469 283 2HE MET 36 2HE MET 36 -10.676 9.638 21.797 284 3HE MET 36 3HE MET 36 -10.846 7.986 22.387 285 H PHE 37 H PHE 37 -5.950 12.997 23.177 286 HA PHE 37 HA PHE 37 -7.212 14.991 21.735 287 1HB PHE 37 1HB PHE 37 -6.118 16.084 23.384 288 2HB PHE 37 2HB PHE 37 -5.039 14.711 23.614 289 HD1 PHE 37 HD1 PHE 37 -2.899 14.575 22.348 290 HD2 PHE 37 HD2 PHE 37 -5.428 18.031 22.159 291 HE1 PHE 37 HE1 PHE 37 -1.038 15.878 21.371 292 HE2 PHE 37 HE2 PHE 37 -3.569 19.335 21.167 293 HZ PHE 37 HZ PHE 37 -1.380 18.245 20.771 294 H ILE 38 H ILE 38 -3.896 13.772 21.010 295 HA ILE 38 HA ILE 38 -3.392 15.266 18.685 296 HB ILE 38 HB ILE 38 -2.712 12.422 19.484 297 1HG1 ILE 38 1HG1 ILE 38 -1.311 15.097 19.672 298 2HG1 ILE 38 2HG1 ILE 38 -1.751 14.011 20.989 299 1HG2 ILE 38 1HG2 ILE 38 -2.600 12.883 16.974 300 2HG2 ILE 38 2HG2 ILE 38 -1.341 14.063 17.344 301 3HG2 ILE 38 3HG2 ILE 38 -1.092 12.360 17.725 302 1HD1 ILE 38 1HD1 ILE 38 0.209 13.265 18.803 303 2HD1 ILE 38 2HD1 ILE 38 0.695 13.944 20.355 304 3HD1 ILE 38 3HD1 ILE 38 -0.118 12.382 20.293 305 H ASN 39 H ASN 39 -5.289 12.291 19.083 306 HA ASN 39 HA ASN 39 -5.785 11.892 16.254 307 1HB ASN 39 1HB ASN 39 -7.317 10.972 18.710 308 2HB ASN 39 2HB ASN 39 -7.400 10.247 17.104 309 2HD2 ASN 39 2HD2 ASN 39 -4.353 10.814 16.853 310 1HD2 ASN 39 1HD2 ASN 39 -3.642 9.543 17.726 311 H LYS 40 H LYS 40 -7.281 13.809 18.778 312 HA LYS 40 HA LYS 40 -9.641 14.407 17.063 313 1HB LYS 40 1HB LYS 40 -8.852 14.621 19.932 314 2HB LYS 40 2HB LYS 40 -10.004 15.816 19.336 315 1HG LYS 40 1HG LYS 40 -11.561 14.134 18.679 316 2HG LYS 40 2HG LYS 40 -10.359 12.853 18.846 317 1HD LYS 40 1HD LYS 40 -10.475 14.179 21.348 318 2HD LYS 40 2HD LYS 40 -12.146 13.917 20.842 319 1HE LYS 40 1HE LYS 40 -11.503 11.503 20.344 320 2HE LYS 40 2HE LYS 40 -9.964 11.832 21.163 321 1HZ LYS 40 1HZ LYS 40 -11.332 12.738 23.040 322 2HZ LYS 40 2HZ LYS 40 -12.708 12.104 22.276 323 3HZ LYS 40 3HZ LYS 40 -11.478 11.061 22.812 324 H CYS 41 H CYS 41 -6.578 15.707 17.993 325 HA CYS 41 HA CYS 41 -6.912 18.484 17.897 326 1HB CYS 41 1HB CYS 41 -4.796 17.474 18.398 327 2HB CYS 41 2HB CYS 41 -4.763 16.624 16.854 328 H ALA 42 H ALA 42 -5.640 16.761 15.060 329 HA ALA 42 HA ALA 42 -6.464 18.770 13.188 330 1HB ALA 42 1HB ALA 42 -5.660 15.859 12.976 331 2HB ALA 42 2HB ALA 42 -5.939 16.869 11.558 332 3HB ALA 42 3HB ALA 42 -4.652 17.278 12.692 333 H THR 43 H THR 43 -8.073 15.907 14.457 334 HA THR 43 HA THR 43 -10.176 15.836 12.442 335 HB THR 43 HB THR 43 -9.933 14.662 15.233 336 HG1 THR 43 HG1 THR 43 -9.306 13.704 12.643 337 1HG2 THR 43 1HG2 THR 43 -12.258 14.859 14.038 338 2HG2 THR 43 2HG2 THR 43 -11.639 13.559 13.020 339 3HG2 THR 43 3HG2 THR 43 -11.787 13.320 14.761 340 H CYS 44 H CYS 44 -9.571 17.680 15.299 341 HA CYS 44 HA CYS 44 -12.407 18.343 15.775 342 1HB CYS 44 1HB CYS 44 -10.872 18.096 17.650 343 2HB CYS 44 2HB CYS 44 -9.764 19.273 16.943 344 H LYS 45 H LYS 45 -9.438 19.998 14.652 345 HA LYS 45 HA LYS 45 -10.538 22.567 14.183 346 1HB LYS 45 1HB LYS 45 -8.572 22.876 12.848 347 2HB LYS 45 2HB LYS 45 -8.121 21.715 14.095 348 1HG LYS 45 1HG LYS 45 -7.401 20.438 12.360 349 2HG LYS 45 2HG LYS 45 -9.109 20.071 12.123 350 1HD LYS 45 1HD LYS 45 -9.341 21.712 10.429 351 2HD LYS 45 2HD LYS 45 -7.830 22.504 10.874 352 1HE LYS 45 1HE LYS 45 -6.864 20.046 10.297 353 2HE LYS 45 2HE LYS 45 -8.270 20.067 9.215 354 1HZ LYS 45 1HZ LYS 45 -7.517 22.408 8.632 355 2HZ LYS 45 2HZ LYS 45 -6.043 22.020 9.376 356 3HZ LYS 45 3HZ LYS 45 -6.566 21.139 8.022 357 H MET 46 H MET 46 -10.880 19.572 12.413 358 HA MET 46 HA MET 46 -11.891 20.811 9.966 359 1HB MET 46 1HB MET 46 -12.252 18.491 9.318 360 2HB MET 46 2HB MET 46 -10.699 18.606 10.142 361 1HG MET 46 1HG MET 46 -11.399 17.070 11.627 362 2HG MET 46 2HG MET 46 -12.678 18.171 12.137 363 1HE MET 46 1HE MET 46 -11.375 15.851 9.634 364 2HE MET 46 2HE MET 46 -12.700 14.827 9.087 365 3HE MET 46 3HE MET 46 -12.470 16.419 8.367 366 H ILE 47 H ILE 47 -13.192 19.751 13.015 367 HA ILE 47 HA ILE 47 -15.933 19.349 12.282 368 HB ILE 47 HB ILE 47 -14.755 20.446 14.858 369 1HG1 ILE 47 1HG1 ILE 47 -13.539 18.444 14.292 370 2HG1 ILE 47 2HG1 ILE 47 -14.721 18.006 15.524 371 1HG2 ILE 47 1HG2 ILE 47 -17.237 20.526 14.649 372 2HG2 ILE 47 2HG2 ILE 47 -17.242 18.789 14.341 373 3HG2 ILE 47 3HG2 ILE 47 -16.705 19.405 15.904 374 1HD1 ILE 47 1HD1 ILE 47 -16.104 17.699 13.118 375 2HD1 ILE 47 2HD1 ILE 47 -14.491 17.075 12.772 376 3HD1 ILE 47 3HD1 ILE 47 -15.429 16.402 14.104 377 H LEU 48 H LEU 48 -14.170 22.234 13.426 378 HA LEU 48 HA LEU 48 -16.347 24.058 13.457 379 1HB LEU 48 1HB LEU 48 -13.420 24.487 12.775 380 2HB LEU 48 2HB LEU 48 -14.538 25.736 13.323 381 HG LEU 48 HG LEU 48 -14.636 23.476 15.117 382 1HD1 LEU 48 1HD1 LEU 48 -11.924 24.546 14.363 383 2HD1 LEU 48 2HD1 LEU 48 -12.236 23.986 16.006 384 3HD1 LEU 48 3HD1 LEU 48 -12.414 22.875 14.648 385 1HD2 LEU 48 1HD2 LEU 48 -15.220 25.971 15.423 386 2HD2 LEU 48 2HD2 LEU 48 -14.391 25.168 16.758 387 3HD2 LEU 48 3HD2 LEU 48 -13.490 26.216 15.663 388 H GLU 49 H GLU 49 -14.221 22.994 10.809 389 HA GLU 49 HA GLU 49 -14.815 24.811 8.785 390 1HB GLU 49 1HB GLU 49 -14.671 21.779 8.697 391 2HB GLU 49 2HB GLU 49 -14.548 22.817 7.279 392 1HG GLU 49 1HG GLU 49 -12.749 23.364 9.611 393 2HG GLU 49 2HG GLU 49 -12.365 22.008 8.551 394 H LYS 50 H LYS 50 -16.942 22.485 10.297 395 HA LYS 50 HA LYS 50 -19.029 22.624 8.250 396 1HB LYS 50 1HB LYS 50 -19.116 21.677 11.133 397 2HB LYS 50 2HB LYS 50 -20.227 21.219 9.842 398 1HG LYS 50 1HG LYS 50 -17.389 20.758 9.198 399 2HG LYS 50 2HG LYS 50 -17.981 19.795 10.552 400 1HD LYS 50 1HD LYS 50 -19.868 19.006 9.171 401 2HD LYS 50 2HD LYS 50 -19.288 19.978 7.819 402 1HE LYS 50 1HE LYS 50 -17.026 18.623 8.292 403 2HE LYS 50 2HE LYS 50 -18.176 17.437 8.939 404 1HZ LYS 50 1HZ LYS 50 -19.471 18.165 6.764 405 2HZ LYS 50 2HZ LYS 50 -17.894 18.470 6.214 406 3HZ LYS 50 3HZ LYS 50 -18.322 16.914 6.738 407 H GLU 51 H GLU 51 -18.282 24.255 11.303 408 HA GLU 51 HA GLU 51 -20.806 25.476 11.807 409 1HB GLU 51 1HB GLU 51 -17.926 26.220 12.357 410 2HB GLU 51 2HB GLU 51 -19.272 27.176 12.978 411 1HG GLU 51 1HG GLU 51 -20.133 25.296 14.217 412 2HG GLU 51 2HG GLU 51 -18.998 24.193 13.438 413 H ALA 52 H ALA 52 -18.302 26.219 9.471 414 HA ALA 52 HA ALA 52 -19.252 28.926 8.899 415 1HB ALA 52 1HB ALA 52 -16.902 27.894 8.642 416 2HB ALA 52 2HB ALA 52 -17.474 28.902 7.314 417 3HB ALA 52 3HB ALA 52 -17.524 27.145 7.172 418 H LYS 53 H LYS 53 -20.012 25.698 7.810 419 HA LYS 53 HA LYS 53 -21.229 26.498 5.279 420 1HB LYS 53 1HB LYS 53 -21.228 24.013 7.008 421 2HB LYS 53 2HB LYS 53 -22.088 24.092 5.471 422 1HG LYS 53 1HG LYS 53 -20.021 24.588 4.286 423 2HG LYS 53 2HG LYS 53 -19.133 24.684 5.806 424 1HD LYS 53 1HD LYS 53 -19.522 22.327 6.243 425 2HD LYS 53 2HD LYS 53 -20.579 22.201 4.836 426 1HE LYS 53 1HE LYS 53 -18.715 22.643 3.329 427 2HE LYS 53 2HE LYS 53 -17.636 22.960 4.702 428 1HZ LYS 53 1HZ LYS 53 -19.164 20.434 4.490 429 2HZ LYS 53 2HZ LYS 53 -17.657 20.604 3.725 430 3HZ LYS 53 3HZ LYS 53 -17.778 20.756 5.413 431 H SER 54 H SER 54 -22.343 25.958 8.594 432 HA SER 54 HA SER 54 -25.179 26.038 7.952 433 1HB SER 54 1HB SER 54 -23.681 26.525 10.548 434 2HB SER 54 2HB SER 54 -25.386 26.099 10.398 435 HG SER 54 HG SER 54 -23.654 24.385 10.771 436 H GLN 55 H GLN 55 -22.728 28.429 8.257 437 HA GLN 55 HA GLN 55 -24.726 30.577 8.828 438 1HB GLN 55 1HB GLN 55 -22.687 30.415 10.220 439 2HB GLN 55 2HB GLN 55 -21.690 30.554 8.772 440 1HG GLN 55 1HG GLN 55 -22.857 32.768 8.321 441 2HG GLN 55 2HG GLN 55 -23.555 32.637 9.936 442 2HE2 GLN 55 2HE2 GLN 55 -21.609 34.685 9.032 443 1HE2 GLN 55 1HE2 GLN 55 -20.233 34.501 10.008 No H/Q in entry = 443 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -29.648 18.197 19.315 2 H2 LYS 1 H2 LYS 1 -31.345 18.269 19.281 3 H3 LYS 1 H3 LYS 1 -30.488 17.830 17.885 4 HA LYS 1 HA LYS 1 -31.042 20.046 17.471 5 1HB LYS 1 1HB LYS 1 -31.834 20.187 19.897 6 2HB LYS 1 2HB LYS 1 -30.179 20.632 20.316 7 1HG LYS 1 1HG LYS 1 -30.302 22.549 18.760 8 2HG LYS 1 2HG LYS 1 -31.958 22.104 18.346 9 1HD LYS 1 1HD LYS 1 -32.683 22.479 20.639 10 2HD LYS 1 2HD LYS 1 -31.022 22.774 21.152 11 1HE LYS 1 1HE LYS 1 -30.920 24.755 19.654 12 2HE LYS 1 2HE LYS 1 -32.607 24.469 19.186 13 1HZ LYS 1 1HZ LYS 1 -33.197 24.551 21.560 14 2HZ LYS 1 2HZ LYS 1 -31.587 24.934 21.945 15 3HZ LYS 1 3HZ LYS 1 -32.525 26.016 21.030 16 H ASN 2 H ASN 2 -28.696 18.656 16.865 17 HA ASN 2 HA ASN 2 -26.433 20.433 17.640 18 1HB ASN 2 1HB ASN 2 -26.436 17.865 17.726 19 2HB ASN 2 2HB ASN 2 -26.397 17.914 15.963 20 2HD2 ASN 2 2HD2 ASN 2 -24.185 16.882 16.197 21 1HD2 ASN 2 1HD2 ASN 2 -22.852 17.876 16.537 22 H GLU 3 H GLU 3 -25.645 21.928 16.199 23 HA GLU 3 HA GLU 3 -26.948 22.278 13.602 24 1HB GLU 3 1HB GLU 3 -25.628 24.306 13.562 25 2HB GLU 3 2HB GLU 3 -26.195 24.081 15.216 26 1HG GLU 3 1HG GLU 3 -24.043 23.087 15.844 27 2HG GLU 3 2HG GLU 3 -23.473 23.231 14.181 28 H ASP 4 H ASP 4 -24.088 20.694 14.778 29 HA ASP 4 HA ASP 4 -23.107 20.394 11.957 30 1HB ASP 4 1HB ASP 4 -21.621 21.695 13.416 31 2HB ASP 4 2HB ASP 4 -21.629 20.396 14.609 32 H GLN 5 H GLN 5 -21.605 18.501 14.416 33 HA GLN 5 HA GLN 5 -23.332 16.243 14.561 34 1HB GLN 5 1HB GLN 5 -22.453 16.689 11.996 35 2HB GLN 5 2HB GLN 5 -21.249 15.546 12.590 36 1HG GLN 5 1HG GLN 5 -23.311 14.214 13.482 37 2HG GLN 5 2HG GLN 5 -24.227 15.184 12.329 38 2HE2 GLN 5 2HE2 GLN 5 -24.598 13.747 10.603 39 1HE2 GLN 5 1HE2 GLN 5 -23.379 12.872 9.808 40 H GLU 6 H GLU 6 -19.992 17.380 14.291 41 HA GLU 6 HA GLU 6 -19.216 15.376 16.388 42 1HB GLU 6 1HB GLU 6 -18.310 15.594 13.808 43 2HB GLU 6 2HB GLU 6 -17.126 16.573 14.674 44 1HG GLU 6 1HG GLU 6 -16.873 14.650 16.303 45 2HG GLU 6 2HG GLU 6 -17.864 13.684 15.210 46 H MET 7 H MET 7 -19.738 16.956 18.070 47 HA MET 7 HA MET 7 -18.440 19.578 18.088 48 1HB MET 7 1HB MET 7 -19.833 17.994 20.271 49 2HB MET 7 2HB MET 7 -19.538 19.733 20.273 50 1HG MET 7 1HG MET 7 -20.889 19.854 18.126 51 2HG MET 7 2HG MET 7 -21.340 18.171 18.404 52 1HE MET 7 1HE MET 7 -22.339 17.236 20.124 53 2HE MET 7 2HE MET 7 -22.039 17.956 21.712 54 3HE MET 7 3HE MET 7 -23.671 17.924 21.050 55 H CYS 8 H CYS 8 -16.624 20.164 19.341 56 HA CYS 8 HA CYS 8 -15.181 17.925 20.722 57 1HB CYS 8 1HB CYS 8 -14.277 18.458 18.464 58 2HB CYS 8 2HB CYS 8 -14.039 20.130 18.973 59 H HIS 9 H HIS 9 -15.425 18.551 22.866 60 HA HIS 9 HA HIS 9 -15.190 21.413 23.607 61 1HB HIS 9 1HB HIS 9 -15.701 18.921 25.265 62 2HB HIS 9 2HB HIS 9 -15.973 20.587 25.773 63 HD1 HIS 9 HD1 HIS 9 -17.942 21.888 24.595 64 HD2 HIS 9 HD2 HIS 9 -17.727 17.837 23.631 65 HE1 HIS 9 HE1 HIS 9 -20.142 21.297 23.486 66 H GLU 10 H GLU 10 -13.228 18.575 23.463 67 HA GLU 10 HA GLU 10 -11.414 19.104 25.631 68 1HB GLU 10 1HB GLU 10 -11.452 17.518 23.085 69 2HB GLU 10 2HB GLU 10 -9.921 17.696 23.942 70 1HG GLU 10 1HG GLU 10 -12.505 16.632 25.124 71 2HG GLU 10 2HG GLU 10 -11.091 15.669 24.697 72 H PHE 11 H PHE 11 -11.276 19.934 22.146 73 HA PHE 11 HA PHE 11 -8.868 21.600 22.618 74 1HB PHE 11 1HB PHE 11 -10.455 20.663 20.223 75 2HB PHE 11 2HB PHE 11 -9.148 21.834 20.070 76 HD1 PHE 11 HD1 PHE 11 -9.980 18.359 21.075 77 HD2 PHE 11 HD2 PHE 11 -6.845 21.189 20.292 78 HE1 PHE 11 HE1 PHE 11 -8.317 16.522 21.090 79 HE2 PHE 11 HE2 PHE 11 -5.181 19.351 20.309 80 HZ PHE 11 HZ PHE 11 -5.919 17.019 20.709 81 H GLN 12 H GLN 12 -12.295 21.953 22.420 82 HA GLN 12 HA GLN 12 -12.775 24.403 21.218 83 1HB GLN 12 1HB GLN 12 -14.452 22.970 22.326 84 2HB GLN 12 2HB GLN 12 -13.786 23.403 23.901 85 1HG GLN 12 1HG GLN 12 -14.205 25.871 23.047 86 2HG GLN 12 2HG GLN 12 -15.368 25.082 21.983 87 2HE2 GLN 12 2HE2 GLN 12 -16.392 26.803 23.926 88 1HE2 GLN 12 1HE2 GLN 12 -17.156 25.910 25.151 89 H ALA 13 H ALA 13 -11.250 23.837 24.376 90 HA ALA 13 HA ALA 13 -11.167 26.585 25.221 91 1HB ALA 13 1HB ALA 13 -8.946 25.015 26.176 92 2HB ALA 13 2HB ALA 13 -10.401 25.499 27.047 93 3HB ALA 13 3HB ALA 13 -10.388 24.003 26.114 94 H PHE 14 H PHE 14 -9.276 24.745 22.939 95 HA PHE 14 HA PHE 14 -7.054 26.699 22.942 96 1HB PHE 14 1HB PHE 14 -7.572 24.311 21.152 97 2HB PHE 14 2HB PHE 14 -6.025 25.080 21.490 98 HD1 PHE 14 HD1 PHE 14 -6.696 25.518 24.519 99 HD2 PHE 14 HD2 PHE 14 -6.839 22.108 21.913 100 HE1 PHE 14 HE1 PHE 14 -6.373 24.016 26.466 101 HE2 PHE 14 HE2 PHE 14 -6.517 20.606 23.855 102 HZ PHE 14 HZ PHE 14 -6.282 21.559 26.135 103 H MET 15 H MET 15 -10.003 27.145 21.908 104 HA MET 15 HA MET 15 -9.419 27.804 19.074 105 1HB MET 15 1HB MET 15 -11.799 27.939 18.894 106 2HB MET 15 2HB MET 15 -11.483 26.570 19.951 107 1HG MET 15 1HG MET 15 -11.713 28.243 21.895 108 2HG MET 15 2HG MET 15 -12.413 29.342 20.709 109 1HE MET 15 1HE MET 15 -13.765 27.814 18.742 110 2HE MET 15 2HE MET 15 -15.385 27.357 19.285 111 3HE MET 15 3HE MET 15 -14.796 28.996 19.545 112 H LYS 16 H LYS 16 -8.599 29.822 18.701 113 HA LYS 16 HA LYS 16 -9.113 32.009 20.646 114 1HB LYS 16 1HB LYS 16 -6.824 31.374 19.759 115 2HB LYS 16 2HB LYS 16 -7.357 31.931 18.172 116 1HG LYS 16 1HG LYS 16 -8.064 34.016 19.880 117 2HG LYS 16 2HG LYS 16 -6.494 33.489 20.488 118 1HD LYS 16 1HD LYS 16 -5.556 33.667 18.207 119 2HD LYS 16 2HD LYS 16 -7.125 34.205 17.607 120 1HE LYS 16 1HE LYS 16 -6.998 36.259 18.790 121 2HE LYS 16 2HE LYS 16 -5.716 35.660 19.859 122 1HZ LYS 16 1HZ LYS 16 -4.507 35.253 17.598 123 2HZ LYS 16 2HZ LYS 16 -5.567 36.451 17.025 124 3HZ LYS 16 3HZ LYS 16 -4.492 36.800 18.294 125 H ASN 17 H ASN 17 -11.305 32.545 20.095 126 HA ASN 17 HA ASN 17 -12.976 33.685 18.879 127 1HB ASN 17 1HB ASN 17 -10.504 34.658 17.408 128 2HB ASN 17 2HB ASN 17 -12.083 35.441 17.390 129 2HD2 ASN 17 2HD2 ASN 17 -9.172 35.935 18.707 130 1HD2 ASN 17 1HD2 ASN 17 -9.599 36.538 20.235 131 H GLY 18 H GLY 18 -12.742 31.065 18.111 132 1HA GLY 18 1HA GLY 18 -13.492 31.212 15.272 133 2HA GLY 18 2HA GLY 18 -13.651 29.798 16.312 134 H LYS 19 H LYS 19 -10.580 31.297 16.486 135 HA LYS 19 HA LYS 19 -9.423 29.635 14.313 136 1HB LYS 19 1HB LYS 19 -8.896 32.092 14.794 137 2HB LYS 19 2HB LYS 19 -8.048 31.529 16.233 138 1HG LYS 19 1HG LYS 19 -7.441 30.335 13.534 139 2HG LYS 19 2HG LYS 19 -6.683 31.845 14.036 140 1HD LYS 19 1HD LYS 19 -6.530 29.986 16.213 141 2HD LYS 19 2HD LYS 19 -5.937 29.189 14.756 142 1HE LYS 19 1HE LYS 19 -4.121 30.423 15.962 143 2HE LYS 19 2HE LYS 19 -4.399 31.084 14.340 144 1HZ LYS 19 1HZ LYS 19 -6.057 32.113 16.516 145 2HZ LYS 19 2HZ LYS 19 -4.431 32.605 16.502 146 3HZ LYS 19 3HZ LYS 19 -5.429 32.922 15.164 147 H LEU 20 H LEU 20 -9.177 27.507 15.006 148 HA LEU 20 HA LEU 20 -8.298 26.947 17.778 149 1HB LEU 20 1HB LEU 20 -10.082 25.618 16.779 150 2HB LEU 20 2HB LEU 20 -9.058 25.227 15.397 151 HG LEU 20 HG LEU 20 -7.481 24.058 16.900 152 1HD1 LEU 20 1HD1 LEU 20 -9.486 24.920 18.997 153 2HD1 LEU 20 2HD1 LEU 20 -8.326 23.618 19.267 154 3HD1 LEU 20 3HD1 LEU 20 -7.755 25.258 18.953 155 1HD2 LEU 20 1HD2 LEU 20 -10.301 23.300 16.525 156 2HD2 LEU 20 2HD2 LEU 20 -8.836 22.370 16.214 157 3HD2 LEU 20 3HD2 LEU 20 -9.502 22.446 17.844 158 H PHE 21 H PHE 21 -6.140 26.849 18.218 159 HA PHE 21 HA PHE 21 -4.232 26.416 15.974 160 1HB PHE 21 1HB PHE 21 -2.592 27.009 17.925 161 2HB PHE 21 2HB PHE 21 -3.610 28.282 17.262 162 HD1 PHE 21 HD1 PHE 21 -3.116 25.985 20.119 163 HD2 PHE 21 HD2 PHE 21 -5.430 29.239 18.533 164 HE1 PHE 21 HE1 PHE 21 -4.100 26.379 22.360 165 HE2 PHE 21 HE2 PHE 21 -6.410 29.635 20.776 166 HZ PHE 21 HZ PHE 21 -5.745 28.205 22.690 167 H CYS 22 H CYS 22 -4.654 24.129 15.746 168 HA CYS 22 HA CYS 22 -4.562 22.191 17.798 169 1HB CYS 22 1HB CYS 22 -5.320 21.851 15.471 170 2HB CYS 22 2HB CYS 22 -3.657 21.989 14.911 171 HA PRO 23 HA PRO 23 0.198 21.796 16.869 172 1HB PRO 23 1HB PRO 23 1.131 24.454 16.288 173 2HB PRO 23 2HB PRO 23 1.218 23.021 15.263 174 1HG PRO 23 1HG PRO 23 -0.450 25.318 14.914 175 2HG PRO 23 2HG PRO 23 -0.406 23.857 13.924 176 1HD PRO 23 1HD PRO 23 -2.452 24.705 15.791 177 2HD PRO 23 2HD PRO 23 -2.458 23.285 14.726 178 H GLN 24 H GLN 24 -0.690 21.865 19.231 179 HA GLN 24 HA GLN 24 0.338 24.245 20.725 180 1HB GLN 24 1HB GLN 24 -1.985 23.692 21.117 181 2HB GLN 24 2HB GLN 24 -1.590 21.993 21.370 182 1HG GLN 24 1HG GLN 24 -0.423 22.489 23.417 183 2HG GLN 24 2HG GLN 24 -0.507 24.223 23.111 184 2HE2 GLN 24 2HE2 GLN 24 -2.748 21.408 23.457 185 1HE2 GLN 24 1HE2 GLN 24 -3.947 22.280 24.283 186 H ASP 25 H ASP 25 -0.103 21.082 22.162 187 HA ASP 25 HA ASP 25 2.855 20.663 22.266 188 1HB ASP 25 1HB ASP 25 2.018 21.919 24.266 189 2HB ASP 25 2HB ASP 25 0.933 20.573 24.616 190 H LYS 26 H LYS 26 2.035 18.994 20.611 191 HA LYS 26 HA LYS 26 0.284 16.860 21.294 192 1HB LYS 26 1HB LYS 26 2.617 17.202 19.411 193 2HB LYS 26 2HB LYS 26 1.699 15.698 19.471 194 1HG LYS 26 1HG LYS 26 -0.356 16.864 18.922 195 2HG LYS 26 2HG LYS 26 0.448 18.428 19.049 196 1HD LYS 26 1HD LYS 26 2.030 17.561 17.206 197 2HD LYS 26 2HD LYS 26 0.835 16.289 16.952 198 1HE LYS 26 1HE LYS 26 -0.913 18.084 16.651 199 2HE LYS 26 2HE LYS 26 0.389 19.286 16.715 200 1HZ LYS 26 1HZ LYS 26 0.402 16.936 14.893 201 2HZ LYS 26 2HZ LYS 26 -0.163 18.469 14.427 202 3HZ LYS 26 3HZ LYS 26 1.463 18.259 14.871 203 H LYS 27 H LYS 27 3.337 17.580 22.640 204 HA LYS 27 HA LYS 27 4.736 15.252 23.037 205 1HB LYS 27 1HB LYS 27 3.892 17.417 24.976 206 2HB LYS 27 2HB LYS 27 5.098 16.199 25.384 207 1HG LYS 27 1HG LYS 27 5.287 17.967 22.934 208 2HG LYS 27 2HG LYS 27 6.048 18.364 24.475 209 1HD LYS 27 1HD LYS 27 7.377 16.330 24.401 210 2HD LYS 27 2HD LYS 27 6.532 15.787 22.952 211 1HE LYS 27 1HE LYS 27 7.365 17.960 21.844 212 2HE LYS 27 2HE LYS 27 8.465 18.102 23.229 213 1HZ LYS 27 1HZ LYS 27 8.223 15.498 21.904 214 2HZ LYS 27 2HZ LYS 27 9.119 16.702 21.107 215 3HZ LYS 27 3HZ LYS 27 9.568 16.196 22.666 216 H PHE 28 H PHE 28 1.520 15.962 24.283 217 HA PHE 28 HA PHE 28 1.319 13.997 26.331 218 1HB PHE 28 1HB PHE 28 -0.827 14.867 24.372 219 2HB PHE 28 2HB PHE 28 -1.055 14.340 26.040 220 HD1 PHE 28 HD1 PHE 28 0.722 15.722 27.693 221 HD2 PHE 28 HD2 PHE 28 -1.109 17.155 24.086 222 HE1 PHE 28 HE1 PHE 28 1.021 18.059 28.468 223 HE2 PHE 28 HE2 PHE 28 -0.812 19.491 24.858 224 HZ PHE 28 HZ PHE 28 0.253 19.944 27.048 225 H PHE 29 H PHE 29 1.665 13.613 22.936 226 HA PHE 29 HA PHE 29 0.217 11.294 22.302 227 1HB PHE 29 1HB PHE 29 1.607 12.694 20.781 228 2HB PHE 29 2HB PHE 29 3.059 12.043 21.536 229 HD1 PHE 29 HD1 PHE 29 3.297 9.444 21.563 230 HD2 PHE 29 HD2 PHE 29 0.645 11.587 18.951 231 HE1 PHE 29 HE1 PHE 29 3.210 7.485 20.045 232 HE2 PHE 29 HE2 PHE 29 0.558 9.627 17.434 233 HZ PHE 29 HZ PHE 29 1.840 7.576 17.981 234 H GLN 30 H GLN 30 2.885 11.660 24.493 235 HA GLN 30 HA GLN 30 3.845 8.928 24.444 236 1HB GLN 30 1HB GLN 30 4.035 11.289 26.321 237 2HB GLN 30 2HB GLN 30 4.818 9.751 26.688 238 1HG GLN 30 1HG GLN 30 5.768 9.969 24.251 239 2HG GLN 30 2HG GLN 30 5.384 11.679 24.453 240 2HE2 GLN 30 2HE2 GLN 30 7.222 12.787 25.122 241 1HE2 GLN 30 1HE2 GLN 30 8.361 12.206 26.237 242 H SER 31 H SER 31 0.895 10.137 25.434 243 HA SER 31 HA SER 31 0.530 7.864 27.355 244 1HB SER 31 1HB SER 31 -0.307 10.768 27.578 245 2HB SER 31 2HB SER 31 -0.961 9.502 28.617 246 HG SER 31 HG SER 31 0.739 9.959 29.767 247 H LEU 32 H LEU 32 -1.574 6.913 27.285 248 HA LEU 32 HA LEU 32 -2.929 6.780 24.827 249 1HB LEU 32 1HB LEU 32 -3.036 5.415 27.085 250 2HB LEU 32 2HB LEU 32 -4.386 6.497 27.433 251 HG LEU 32 HG LEU 32 -4.235 5.070 24.788 252 1HD1 LEU 32 1HD1 LEU 32 -4.349 3.760 27.301 253 2HD1 LEU 32 2HD1 LEU 32 -5.984 3.728 26.643 254 3HD1 LEU 32 3HD1 LEU 32 -4.646 3.057 25.710 255 1HD2 LEU 32 1HD2 LEU 32 -6.410 6.250 26.531 256 2HD2 LEU 32 2HD2 LEU 32 -5.914 6.772 24.920 257 3HD2 LEU 32 3HD2 LEU 32 -6.760 5.237 25.130 258 H ASP 33 H ASP 33 -3.776 8.743 27.685 259 HA ASP 33 HA ASP 33 -6.093 9.996 26.630 260 1HB ASP 33 1HB ASP 33 -3.959 10.738 28.632 261 2HB ASP 33 2HB ASP 33 -5.278 11.853 28.279 262 H GLY 34 H GLY 34 -2.658 10.918 26.435 263 1HA GLY 34 1HA GLY 34 -1.590 12.494 25.050 264 2HA GLY 34 2HA GLY 34 -3.145 13.305 24.883 265 H ILE 35 H ILE 35 -2.346 9.942 24.104 266 HA ILE 35 HA ILE 35 -2.031 10.206 21.297 267 HB ILE 35 HB ILE 35 -2.818 8.077 23.251 268 1HG1 ILE 35 1HG1 ILE 35 -0.454 8.626 22.814 269 2HG1 ILE 35 2HG1 ILE 35 -0.826 6.990 22.269 270 1HG2 ILE 35 1HG2 ILE 35 -3.130 7.868 20.246 271 2HG2 ILE 35 2HG2 ILE 35 -2.931 6.456 21.284 272 3HG2 ILE 35 3HG2 ILE 35 -4.334 7.506 21.481 273 1HD1 ILE 35 1HD1 ILE 35 -1.389 8.874 20.155 274 2HD1 ILE 35 2HD1 ILE 35 0.260 9.104 20.733 275 3HD1 ILE 35 3HD1 ILE 35 -0.258 7.520 20.154 276 H MET 36 H MET 36 -4.942 9.882 23.303 277 HA MET 36 HA MET 36 -6.767 9.703 21.038 278 1HB MET 36 1HB MET 36 -6.843 9.884 23.991 279 2HB MET 36 2HB MET 36 -8.253 10.542 23.159 280 1HG MET 36 1HG MET 36 -8.586 8.443 21.969 281 2HG MET 36 2HG MET 36 -7.101 7.781 22.654 282 1HE MET 36 1HE MET 36 -10.418 8.927 22.796 283 2HE MET 36 2HE MET 36 -11.070 7.429 23.475 284 3HE MET 36 3HE MET 36 -11.022 8.896 24.451 285 H PHE 37 H PHE 37 -6.381 12.293 23.506 286 HA PHE 37 HA PHE 37 -7.874 14.282 22.254 287 1HB PHE 37 1HB PHE 37 -7.111 15.305 24.119 288 2HB PHE 37 2HB PHE 37 -5.923 14.022 24.335 289 HD1 PHE 37 HD1 PHE 37 -3.645 14.253 23.371 290 HD2 PHE 37 HD2 PHE 37 -6.501 17.450 23.218 291 HE1 PHE 37 HE1 PHE 37 -1.830 15.842 22.823 292 HE2 PHE 37 HE2 PHE 37 -4.683 19.045 22.668 293 HZ PHE 37 HZ PHE 37 -2.349 18.233 22.465 294 H ILE 38 H ILE 38 -4.374 13.634 21.718 295 HA ILE 38 HA ILE 38 -3.862 15.576 19.756 296 HB ILE 38 HB ILE 38 -2.902 12.735 20.171 297 1HG1 ILE 38 1HG1 ILE 38 -1.830 15.499 20.781 298 2HG1 ILE 38 2HG1 ILE 38 -2.190 14.201 21.917 299 1HG2 ILE 38 1HG2 ILE 38 -2.700 13.459 17.757 300 2HG2 ILE 38 2HG2 ILE 38 -1.687 14.795 18.307 301 3HG2 ILE 38 3HG2 ILE 38 -1.157 13.129 18.545 302 1HD1 ILE 38 1HD1 ILE 38 -0.358 13.120 20.058 303 2HD1 ILE 38 2HD1 ILE 38 0.261 14.716 20.484 304 3HD1 ILE 38 3HD1 ILE 38 -0.051 13.525 21.747 305 H ASN 39 H ASN 39 -5.383 12.383 19.426 306 HA ASN 39 HA ASN 39 -5.621 12.429 16.552 307 1HB ASN 39 1HB ASN 39 -7.228 11.054 18.734 308 2HB ASN 39 2HB ASN 39 -7.306 10.638 17.023 309 2HD2 ASN 39 2HD2 ASN 39 -4.196 11.375 17.081 310 1HD2 ASN 39 1HD2 ASN 39 -3.505 9.926 17.626 311 H LYS 40 H LYS 40 -7.627 13.622 19.205 312 HA LYS 40 HA LYS 40 -9.941 14.293 17.607 313 1HB LYS 40 1HB LYS 40 -8.859 14.744 20.332 314 2HB LYS 40 2HB LYS 40 -10.027 15.941 19.774 315 1HG LYS 40 1HG LYS 40 -11.730 14.345 19.522 316 2HG LYS 40 2HG LYS 40 -10.589 13.001 19.441 317 1HD LYS 40 1HD LYS 40 -10.050 14.086 21.920 318 2HD LYS 40 2HD LYS 40 -11.797 14.294 21.790 319 1HE LYS 40 1HE LYS 40 -11.799 11.806 20.983 320 2HE LYS 40 2HE LYS 40 -10.193 11.739 21.733 321 1HZ LYS 40 1HZ LYS 40 -12.624 12.809 23.072 322 2HZ LYS 40 2HZ LYS 40 -12.042 11.228 23.295 323 3HZ LYS 40 3HZ LYS 40 -11.102 12.558 23.777 324 H CYS 41 H CYS 41 -7.029 16.086 18.605 325 HA CYS 41 HA CYS 41 -7.584 18.707 17.979 326 1HB CYS 41 1HB CYS 41 -5.381 17.362 18.559 327 2HB CYS 41 2HB CYS 41 -5.131 17.423 16.814 328 H ALA 42 H ALA 42 -6.164 16.564 15.484 329 HA ALA 42 HA ALA 42 -6.727 18.178 13.249 330 1HB ALA 42 1HB ALA 42 -6.445 15.211 13.718 331 2HB ALA 42 2HB ALA 42 -6.707 15.848 12.094 332 3HB ALA 42 3HB ALA 42 -5.277 16.325 13.009 333 H THR 43 H THR 43 -8.827 15.888 14.952 334 HA THR 43 HA THR 43 -10.959 16.017 12.952 335 HB THR 43 HB THR 43 -10.715 14.956 15.782 336 HG1 THR 43 HG1 THR 43 -10.854 13.703 13.241 337 1HG2 THR 43 1HG2 THR 43 -13.062 15.584 15.240 338 2HG2 THR 43 2HG2 THR 43 -12.980 14.555 13.810 339 3HG2 THR 43 3HG2 THR 43 -12.855 13.842 15.418 340 H CYS 44 H CYS 44 -10.044 17.806 15.811 341 HA CYS 44 HA CYS 44 -12.696 19.047 16.155 342 1HB CYS 44 1HB CYS 44 -9.961 19.513 17.391 343 2HB CYS 44 2HB CYS 44 -11.453 20.273 17.947 344 H LYS 45 H LYS 45 -9.407 20.162 15.260 345 HA LYS 45 HA LYS 45 -9.954 22.845 14.671 346 1HB LYS 45 1HB LYS 45 -8.012 22.598 13.115 347 2HB LYS 45 2HB LYS 45 -7.730 21.812 14.668 348 1HG LYS 45 1HG LYS 45 -7.659 19.743 13.734 349 2HG LYS 45 2HG LYS 45 -9.033 20.076 12.682 350 1HD LYS 45 1HD LYS 45 -7.091 19.754 11.285 351 2HD LYS 45 2HD LYS 45 -7.517 21.465 11.247 352 1HE LYS 45 1HE LYS 45 -5.707 22.067 12.652 353 2HE LYS 45 2HE LYS 45 -5.499 20.407 13.238 354 1HZ LYS 45 1HZ LYS 45 -5.245 19.997 10.646 355 2HZ LYS 45 2HZ LYS 45 -4.691 21.603 10.692 356 3HZ LYS 45 3HZ LYS 45 -3.916 20.407 11.619 357 H MET 46 H MET 46 -10.834 19.971 12.858 358 HA MET 46 HA MET 46 -11.505 21.395 10.403 359 1HB MET 46 1HB MET 46 -12.280 19.191 9.712 360 2HB MET 46 2HB MET 46 -10.766 19.001 10.596 361 1HG MET 46 1HG MET 46 -11.815 17.601 12.010 362 2HG MET 46 2HG MET 46 -12.841 18.937 12.525 363 1HE MET 46 1HE MET 46 -11.940 16.620 9.945 364 2HE MET 46 2HE MET 46 -13.295 15.484 9.898 365 3HE MET 46 3HE MET 46 -13.204 16.801 8.731 366 H ILE 47 H ILE 47 -13.118 20.562 13.383 367 HA ILE 47 HA ILE 47 -15.847 20.700 12.530 368 HB ILE 47 HB ILE 47 -14.603 21.523 15.176 369 1HG1 ILE 47 1HG1 ILE 47 -13.747 19.341 14.635 370 2HG1 ILE 47 2HG1 ILE 47 -15.069 19.098 15.775 371 1HG2 ILE 47 1HG2 ILE 47 -17.343 21.109 14.195 372 2HG2 ILE 47 2HG2 ILE 47 -16.976 20.200 15.662 373 3HG2 ILE 47 3HG2 ILE 47 -16.781 21.953 15.638 374 1HD1 ILE 47 1HD1 ILE 47 -15.345 18.916 12.760 375 2HD1 ILE 47 2HD1 ILE 47 -15.166 17.528 13.834 376 3HD1 ILE 47 3HD1 ILE 47 -16.595 18.555 13.951 377 H LEU 48 H LEU 48 -13.523 23.180 13.548 378 HA LEU 48 HA LEU 48 -15.380 25.386 13.602 379 1HB LEU 48 1HB LEU 48 -12.388 25.046 13.336 380 2HB LEU 48 2HB LEU 48 -13.131 26.644 13.338 381 HG LEU 48 HG LEU 48 -12.487 26.120 15.610 382 1HD1 LEU 48 1HD1 LEU 48 -14.815 27.118 15.060 383 2HD1 LEU 48 2HD1 LEU 48 -15.444 25.536 15.521 384 3HD1 LEU 48 3HD1 LEU 48 -14.549 26.504 16.692 385 1HD2 LEU 48 1HD2 LEU 48 -12.526 23.587 15.120 386 2HD2 LEU 48 2HD2 LEU 48 -13.045 24.101 16.726 387 3HD2 LEU 48 3HD2 LEU 48 -14.244 23.667 15.507 388 H GLU 49 H GLU 49 -13.234 24.035 11.100 389 HA GLU 49 HA GLU 49 -13.711 26.048 9.105 390 1HB GLU 49 1HB GLU 49 -13.011 23.101 8.872 391 2HB GLU 49 2HB GLU 49 -12.777 24.309 7.608 392 1HG GLU 49 1HG GLU 49 -11.557 24.605 10.359 393 2HG GLU 49 2HG GLU 49 -10.728 23.759 9.052 394 H LYS 50 H LYS 50 -15.572 23.296 10.199 395 HA LYS 50 HA LYS 50 -17.224 22.911 7.881 396 1HB LYS 50 1HB LYS 50 -17.456 22.376 10.844 397 2HB LYS 50 2HB LYS 50 -18.762 21.949 9.739 398 1HG LYS 50 1HG LYS 50 -17.071 20.669 8.369 399 2HG LYS 50 2HG LYS 50 -15.898 20.961 9.654 400 1HD LYS 50 1HD LYS 50 -16.921 19.501 11.101 401 2HD LYS 50 2HD LYS 50 -18.534 19.862 10.488 402 1HE LYS 50 1HE LYS 50 -18.203 18.456 8.556 403 2HE LYS 50 2HE LYS 50 -16.475 18.277 8.915 404 1HZ LYS 50 1HZ LYS 50 -18.337 17.634 11.064 405 2HZ LYS 50 2HZ LYS 50 -18.304 16.545 9.760 406 3HZ LYS 50 3HZ LYS 50 -16.883 16.875 10.632 407 H GLU 51 H GLU 51 -17.634 24.920 10.808 408 HA GLU 51 HA GLU 51 -20.237 25.919 10.248 409 1HB GLU 51 1HB GLU 51 -17.863 27.228 11.619 410 2HB GLU 51 2HB GLU 51 -19.550 27.701 11.823 411 1HG GLU 51 1HG GLU 51 -20.052 25.399 12.655 412 2HG GLU 51 2HG GLU 51 -18.334 25.017 12.545 413 H ALA 52 H ALA 52 -17.129 26.713 8.855 414 HA ALA 52 HA ALA 52 -17.875 29.306 7.781 415 1HB ALA 52 1HB ALA 52 -15.621 27.491 7.882 416 2HB ALA 52 2HB ALA 52 -15.817 28.122 6.247 417 3HB ALA 52 3HB ALA 52 -15.623 29.233 7.603 418 H LYS 53 H LYS 53 -18.429 29.771 5.572 419 HA LYS 53 HA LYS 53 -20.186 27.869 4.295 420 1HB LYS 53 1HB LYS 53 -18.900 30.459 3.372 421 2HB LYS 53 2HB LYS 53 -20.232 29.655 2.542 422 1HG LYS 53 1HG LYS 53 -21.650 29.894 4.519 423 2HG LYS 53 2HG LYS 53 -20.312 30.603 5.424 424 1HD LYS 53 1HD LYS 53 -20.229 32.486 3.832 425 2HD LYS 53 2HD LYS 53 -21.560 31.775 2.919 426 1HE LYS 53 1HE LYS 53 -22.995 31.926 4.969 427 2HE LYS 53 2HE LYS 53 -21.664 32.760 5.794 428 1HZ LYS 53 1HZ LYS 53 -21.715 34.128 3.542 429 2HZ LYS 53 2HZ LYS 53 -23.348 33.668 3.577 430 3HZ LYS 53 3HZ LYS 53 -22.688 34.556 4.868 431 H SER 54 H SER 54 -16.801 28.143 4.309 432 HA SER 54 HA SER 54 -16.218 27.383 1.574 433 1HB SER 54 1HB SER 54 -14.690 27.157 4.187 434 2HB SER 54 2HB SER 54 -13.976 26.904 2.595 435 HG SER 54 HG SER 54 -15.354 29.265 3.322 436 H GLN 55 H GLN 55 -17.267 25.643 4.395 437 HA GLN 55 HA GLN 55 -16.852 23.064 2.919 438 1HB GLN 55 1HB GLN 55 -15.246 23.348 4.764 439 2HB GLN 55 2HB GLN 55 -16.572 23.669 5.882 440 1HG GLN 55 1HG GLN 55 -15.988 21.357 6.163 441 2HG GLN 55 2HG GLN 55 -17.499 21.385 5.254 442 2HE2 GLN 55 2HE2 GLN 55 -14.366 20.088 5.251 443 1HE2 GLN 55 1HE2 GLN 55 -14.283 19.637 3.617 No H/Q in entry = 443 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -29.501 16.867 13.821 2 H2 LYS 1 H2 LYS 1 -29.480 15.432 14.731 3 H3 LYS 1 H3 LYS 1 -30.839 15.821 13.794 4 HA LYS 1 HA LYS 1 -31.409 17.645 15.207 5 1HB LYS 1 1HB LYS 1 -30.652 15.022 16.511 6 2HB LYS 1 2HB LYS 1 -31.571 16.259 17.369 7 1HG LYS 1 1HG LYS 1 -33.310 16.199 15.644 8 2HG LYS 1 2HG LYS 1 -32.379 15.021 14.719 9 1HD LYS 1 1HD LYS 1 -32.506 13.461 16.671 10 2HD LYS 1 2HD LYS 1 -33.554 14.622 17.486 11 1HE LYS 1 1HE LYS 1 -35.334 14.242 16.020 12 2HE LYS 1 2HE LYS 1 -34.268 13.699 14.711 13 1HZ LYS 1 1HZ LYS 1 -33.680 11.768 16.082 14 2HZ LYS 1 2HZ LYS 1 -34.774 12.274 17.275 15 3HZ LYS 1 3HZ LYS 1 -35.345 11.803 15.746 16 H ASN 2 H ASN 2 -28.134 16.693 15.353 17 HA ASN 2 HA ASN 2 -27.483 18.159 17.825 18 1HB ASN 2 1HB ASN 2 -26.410 16.022 16.776 19 2HB ASN 2 2HB ASN 2 -25.551 17.159 15.738 20 2HD2 ASN 2 2HD2 ASN 2 -23.862 15.796 17.342 21 1HD2 ASN 2 1HD2 ASN 2 -23.362 16.715 18.679 22 H GLU 3 H GLU 3 -26.960 20.313 17.862 23 HA GLU 3 HA GLU 3 -27.170 22.006 15.567 24 1HB GLU 3 1HB GLU 3 -25.986 22.283 18.338 25 2HB GLU 3 2HB GLU 3 -26.052 23.637 17.211 26 1HG GLU 3 1HG GLU 3 -28.484 23.429 17.052 27 2HG GLU 3 2HG GLU 3 -28.452 22.004 18.091 28 H ASP 4 H ASP 4 -24.479 20.222 16.924 29 HA ASP 4 HA ASP 4 -22.234 20.015 16.213 30 1HB ASP 4 1HB ASP 4 -23.808 20.825 13.773 31 2HB ASP 4 2HB ASP 4 -22.069 20.554 13.667 32 H GLN 5 H GLN 5 -22.339 22.197 17.716 33 HA GLN 5 HA GLN 5 -21.021 24.358 16.097 34 1HB GLN 5 1HB GLN 5 -23.386 24.688 17.133 35 2HB GLN 5 2HB GLN 5 -22.535 24.773 18.675 36 1HG GLN 5 1HG GLN 5 -21.058 26.559 17.646 37 2HG GLN 5 2HG GLN 5 -22.157 26.569 16.266 38 2HE2 GLN 5 2HE2 GLN 5 -21.591 28.578 18.606 39 1HE2 GLN 5 1HE2 GLN 5 -23.149 28.972 19.155 40 H GLU 6 H GLU 6 -20.779 22.146 18.705 41 HA GLU 6 HA GLU 6 -18.079 23.134 19.369 42 1HB GLU 6 1HB GLU 6 -20.445 23.153 21.263 43 2HB GLU 6 2HB GLU 6 -18.776 23.222 21.830 44 1HG GLU 6 1HG GLU 6 -18.437 25.237 20.364 45 2HG GLU 6 2HG GLU 6 -20.163 25.206 20.002 46 H MET 7 H MET 7 -19.288 20.679 18.236 47 HA MET 7 HA MET 7 -19.683 18.496 19.855 48 1HB MET 7 1HB MET 7 -19.450 18.684 17.319 49 2HB MET 7 2HB MET 7 -17.711 18.524 17.559 50 1HG MET 7 1HG MET 7 -18.444 16.306 17.168 51 2HG MET 7 2HG MET 7 -18.291 16.404 18.922 52 1HE MET 7 1HE MET 7 -19.436 14.248 18.294 53 2HE MET 7 2HE MET 7 -21.162 14.048 18.584 54 3HE MET 7 3HE MET 7 -20.564 14.332 16.944 55 H CYS 8 H CYS 8 -16.395 19.485 18.802 56 HA CYS 8 HA CYS 8 -15.109 17.821 20.819 57 1HB CYS 8 1HB CYS 8 -14.287 18.525 18.491 58 2HB CYS 8 2HB CYS 8 -13.920 20.093 19.211 59 H HIS 9 H HIS 9 -15.420 18.465 22.944 60 HA HIS 9 HA HIS 9 -15.332 21.357 23.626 61 1HB HIS 9 1HB HIS 9 -16.027 18.809 25.114 62 2HB HIS 9 2HB HIS 9 -16.033 20.399 25.874 63 HD1 HIS 9 HD1 HIS 9 -18.131 18.147 23.933 64 HD2 HIS 9 HD2 HIS 9 -17.895 22.274 24.464 65 HE1 HIS 9 HE1 HIS 9 -20.327 19.101 23.108 66 H GLU 10 H GLU 10 -13.170 18.790 23.354 67 HA GLU 10 HA GLU 10 -11.522 19.348 25.708 68 1HB GLU 10 1HB GLU 10 -11.244 17.721 23.171 69 2HB GLU 10 2HB GLU 10 -9.954 17.810 24.370 70 1HG GLU 10 1HG GLU 10 -11.507 16.982 26.103 71 2HG GLU 10 2HG GLU 10 -12.797 16.894 24.904 72 H PHE 11 H PHE 11 -11.175 19.927 22.183 73 HA PHE 11 HA PHE 11 -8.798 21.608 22.608 74 1HB PHE 11 1HB PHE 11 -10.486 20.734 20.263 75 2HB PHE 11 2HB PHE 11 -9.170 21.887 20.070 76 HD1 PHE 11 HD1 PHE 11 -6.840 21.226 20.415 77 HD2 PHE 11 HD2 PHE 11 -10.040 18.394 20.854 78 HE1 PHE 11 HE1 PHE 11 -5.202 19.366 20.349 79 HE2 PHE 11 HE2 PHE 11 -8.402 16.535 20.786 80 HZ PHE 11 HZ PHE 11 -5.984 17.024 20.534 81 H GLN 12 H GLN 12 -12.205 22.069 22.583 82 HA GLN 12 HA GLN 12 -12.671 24.536 21.403 83 1HB GLN 12 1HB GLN 12 -14.373 23.216 22.549 84 2HB GLN 12 2HB GLN 12 -13.577 23.481 24.101 85 1HG GLN 12 1HG GLN 12 -13.888 26.000 23.619 86 2HG GLN 12 2HG GLN 12 -15.024 25.489 22.370 87 2HE2 GLN 12 2HE2 GLN 12 -16.571 26.730 23.937 88 1HE2 GLN 12 1HE2 GLN 12 -17.272 25.823 25.189 89 H ALA 13 H ALA 13 -11.231 23.967 24.624 90 HA ALA 13 HA ALA 13 -10.930 26.668 25.432 91 1HB ALA 13 1HB ALA 13 -8.788 25.429 26.534 92 2HB ALA 13 2HB ALA 13 -10.435 25.175 27.112 93 3HB ALA 13 3HB ALA 13 -9.702 24.018 26.002 94 H PHE 14 H PHE 14 -9.311 24.883 22.940 95 HA PHE 14 HA PHE 14 -7.035 26.791 22.853 96 1HB PHE 14 1HB PHE 14 -7.664 24.348 21.174 97 2HB PHE 14 2HB PHE 14 -6.103 25.145 21.346 98 HD1 PHE 14 HD1 PHE 14 -6.411 25.718 24.371 99 HD2 PHE 14 HD2 PHE 14 -6.960 22.184 21.995 100 HE1 PHE 14 HE1 PHE 14 -5.915 24.308 26.351 101 HE2 PHE 14 HE2 PHE 14 -6.462 20.774 23.969 102 HZ PHE 14 HZ PHE 14 -5.940 21.836 26.151 103 H MET 15 H MET 15 -9.991 27.321 21.991 104 HA MET 15 HA MET 15 -9.604 27.847 19.098 105 1HB MET 15 1HB MET 15 -12.003 28.237 19.158 106 2HB MET 15 2HB MET 15 -11.658 26.770 20.066 107 1HG MET 15 1HG MET 15 -11.527 28.374 22.125 108 2HG MET 15 2HG MET 15 -12.415 29.496 21.094 109 1HE MET 15 1HE MET 15 -14.112 28.862 19.657 110 2HE MET 15 2HE MET 15 -14.663 27.200 19.465 111 3HE MET 15 3HE MET 15 -15.627 28.354 20.396 112 H LYS 16 H LYS 16 -8.345 29.706 18.879 113 HA LYS 16 HA LYS 16 -8.716 32.020 20.654 114 1HB LYS 16 1HB LYS 16 -6.545 31.153 19.626 115 2HB LYS 16 2HB LYS 16 -7.127 31.786 18.085 116 1HG LYS 16 1HG LYS 16 -7.529 33.892 19.871 117 2HG LYS 16 2HG LYS 16 -5.974 33.215 20.354 118 1HD LYS 16 1HD LYS 16 -5.207 33.342 17.995 119 2HD LYS 16 2HD LYS 16 -6.750 34.071 17.548 120 1HE LYS 16 1HE LYS 16 -6.300 36.049 18.800 121 2HE LYS 16 2HE LYS 16 -4.970 35.276 19.685 122 1HZ LYS 16 1HZ LYS 16 -5.036 35.657 16.734 123 2HZ LYS 16 2HZ LYS 16 -4.206 36.681 17.806 124 3HZ LYS 16 3HZ LYS 16 -3.741 35.055 17.648 125 H ASN 17 H ASN 17 -10.849 32.788 20.232 126 HA ASN 17 HA ASN 17 -12.494 34.024 19.069 127 1HB ASN 17 1HB ASN 17 -10.052 34.660 17.380 128 2HB ASN 17 2HB ASN 17 -11.545 35.599 17.420 129 2HD2 ASN 17 2HD2 ASN 17 -8.461 35.566 18.679 130 1HD2 ASN 17 1HD2 ASN 17 -8.738 36.415 20.121 131 H GLY 18 H GLY 18 -12.677 31.393 18.439 132 1HA GLY 18 1HA GLY 18 -13.629 31.458 15.682 133 2HA GLY 18 2HA GLY 18 -13.726 30.080 16.779 134 H LYS 19 H LYS 19 -10.589 31.168 16.869 135 HA LYS 19 HA LYS 19 -9.729 29.526 14.524 136 1HB LYS 19 1HB LYS 19 -9.061 32.002 15.032 137 2HB LYS 19 2HB LYS 19 -7.984 31.291 16.234 138 1HG LYS 19 1HG LYS 19 -8.028 30.410 13.337 139 2HG LYS 19 2HG LYS 19 -6.946 31.665 13.943 140 1HD LYS 19 1HD LYS 19 -6.086 30.029 15.636 141 2HD LYS 19 2HD LYS 19 -7.080 28.783 14.880 142 1HE LYS 19 1HE LYS 19 -5.804 28.801 12.893 143 2HE LYS 19 2HE LYS 19 -5.125 30.403 13.239 144 1HZ LYS 19 1HZ LYS 19 -4.300 29.214 15.386 145 2HZ LYS 19 2HZ LYS 19 -4.480 27.800 14.462 146 3HZ LYS 19 3HZ LYS 19 -3.429 29.025 13.939 147 H LEU 20 H LEU 20 -9.539 27.409 15.244 148 HA LEU 20 HA LEU 20 -8.534 26.801 17.944 149 1HB LEU 20 1HB LEU 20 -10.268 25.405 17.140 150 2HB LEU 20 2HB LEU 20 -9.532 25.267 15.544 151 HG LEU 20 HG LEU 20 -7.614 24.032 16.627 152 1HD1 LEU 20 1HD1 LEU 20 -9.470 24.283 19.001 153 2HD1 LEU 20 2HD1 LEU 20 -8.236 23.028 18.901 154 3HD1 LEU 20 3HD1 LEU 20 -7.766 24.727 18.903 155 1HD2 LEU 20 1HD2 LEU 20 -10.295 23.141 16.080 156 2HD2 LEU 20 2HD2 LEU 20 -8.780 22.264 15.866 157 3HD2 LEU 20 3HD2 LEU 20 -9.630 22.193 17.409 158 H PHE 21 H PHE 21 -6.350 26.812 18.303 159 HA PHE 21 HA PHE 21 -4.507 26.327 16.020 160 1HB PHE 21 1HB PHE 21 -2.811 27.017 17.866 161 2HB PHE 21 2HB PHE 21 -3.907 28.251 17.253 162 HD1 PHE 21 HD1 PHE 21 -3.155 26.017 20.100 163 HD2 PHE 21 HD2 PHE 21 -5.694 29.151 18.620 164 HE1 PHE 21 HE1 PHE 21 -4.010 26.407 22.392 165 HE2 PHE 21 HE2 PHE 21 -6.550 29.541 20.914 166 HZ PHE 21 HZ PHE 21 -5.707 28.169 22.801 167 H CYS 22 H CYS 22 -4.890 24.036 15.862 168 HA CYS 22 HA CYS 22 -4.763 22.146 17.945 169 1HB CYS 22 1HB CYS 22 -5.529 21.601 15.731 170 2HB CYS 22 2HB CYS 22 -3.973 22.019 15.025 171 HA PRO 23 HA PRO 23 0.010 21.809 17.063 172 1HB PRO 23 1HB PRO 23 0.900 24.473 16.444 173 2HB PRO 23 2HB PRO 23 1.030 23.020 15.449 174 1HG PRO 23 1HG PRO 23 -0.682 25.278 15.039 175 2HG PRO 23 2HG PRO 23 -0.589 23.804 14.071 176 1HD PRO 23 1HD PRO 23 -2.688 24.630 15.877 177 2HD PRO 23 2HD PRO 23 -2.631 23.181 14.853 178 H GLN 24 H GLN 24 -0.609 21.764 19.409 179 HA GLN 24 HA GLN 24 0.257 24.232 20.882 180 1HB GLN 24 1HB GLN 24 -2.070 23.674 21.253 181 2HB GLN 24 2HB GLN 24 -1.668 21.981 21.540 182 1HG GLN 24 1HG GLN 24 -0.489 22.549 23.583 183 2HG GLN 24 2HG GLN 24 -0.671 24.272 23.259 184 2HE2 GLN 24 2HE2 GLN 24 -2.730 21.330 23.655 185 1HE2 GLN 24 1HE2 GLN 24 -3.989 22.141 24.453 186 H ASP 25 H ASP 25 -0.186 21.092 22.364 187 HA ASP 25 HA ASP 25 2.780 20.730 22.552 188 1HB ASP 25 1HB ASP 25 1.763 21.895 24.544 189 2HB ASP 25 2HB ASP 25 0.764 20.465 24.808 190 H LYS 26 H LYS 26 1.860 19.162 20.750 191 HA LYS 26 HA LYS 26 0.234 16.935 21.274 192 1HB LYS 26 1HB LYS 26 2.634 17.445 19.524 193 2HB LYS 26 2HB LYS 26 1.803 15.890 19.487 194 1HG LYS 26 1HG LYS 26 -0.354 17.171 19.101 195 2HG LYS 26 2HG LYS 26 0.630 18.619 18.885 196 1HD LYS 26 1HD LYS 26 1.938 17.249 17.134 197 2HD LYS 26 2HD LYS 26 0.589 16.115 17.196 198 1HE LYS 26 1HE LYS 26 -0.967 18.012 16.664 199 2HE LYS 26 2HE LYS 26 0.448 19.063 16.463 200 1HZ LYS 26 1HZ LYS 26 0.356 16.447 15.108 201 2HZ LYS 26 2HZ LYS 26 -0.479 17.760 14.427 202 3HZ LYS 26 3HZ LYS 26 1.197 17.854 14.664 203 H LYS 27 H LYS 27 3.306 17.624 22.690 204 HA LYS 27 HA LYS 27 4.651 15.275 23.082 205 1HB LYS 27 1HB LYS 27 3.801 17.372 25.099 206 2HB LYS 27 2HB LYS 27 5.060 16.180 25.407 207 1HG LYS 27 1HG LYS 27 5.084 18.123 23.080 208 2HG LYS 27 2HG LYS 27 5.962 18.369 24.589 209 1HD LYS 27 1HD LYS 27 7.128 16.181 24.199 210 2HD LYS 27 2HD LYS 27 6.340 16.092 22.623 211 1HE LYS 27 1HE LYS 27 7.365 18.392 22.134 212 2HE LYS 27 2HE LYS 27 8.365 18.134 23.577 213 1HZ LYS 27 1HZ LYS 27 8.086 16.061 21.479 214 2HZ LYS 27 2HZ LYS 27 9.269 17.274 21.360 215 3HZ LYS 27 3HZ LYS 27 9.288 16.199 22.672 216 H PHE 28 H PHE 28 1.422 16.008 24.306 217 HA PHE 28 HA PHE 28 1.124 14.082 26.339 218 1HB PHE 28 1HB PHE 28 -0.854 14.869 24.171 219 2HB PHE 28 2HB PHE 28 -1.256 14.234 25.765 220 HD1 PHE 28 HD1 PHE 28 0.002 15.582 27.766 221 HD2 PHE 28 HD2 PHE 28 -1.009 17.169 23.907 222 HE1 PHE 28 HE1 PHE 28 0.064 17.882 28.693 223 HE2 PHE 28 HE2 PHE 28 -0.949 19.467 24.832 224 HZ PHE 28 HZ PHE 28 -0.412 19.824 27.224 225 H PHE 29 H PHE 29 1.575 13.633 22.930 226 HA PHE 29 HA PHE 29 0.344 11.211 22.316 227 1HB PHE 29 1HB PHE 29 1.736 12.639 20.828 228 2HB PHE 29 2HB PHE 29 3.180 12.095 21.682 229 HD1 PHE 29 HD1 PHE 29 3.423 9.450 21.879 230 HD2 PHE 29 HD2 PHE 29 1.082 11.489 18.909 231 HE1 PHE 29 HE1 PHE 29 3.531 7.448 20.420 232 HE2 PHE 29 HE2 PHE 29 1.190 9.486 17.451 233 HZ PHE 29 HZ PHE 29 2.415 7.466 18.205 234 H GLN 30 H GLN 30 2.929 11.777 24.588 235 HA GLN 30 HA GLN 30 4.018 9.114 24.695 236 1HB GLN 30 1HB GLN 30 3.904 11.486 26.571 237 2HB GLN 30 2HB GLN 30 4.794 10.016 26.969 238 1HG GLN 30 1HG GLN 30 5.867 10.341 24.602 239 2HG GLN 30 2HG GLN 30 5.311 12.005 24.772 240 2HE2 GLN 30 2HE2 GLN 30 6.785 13.362 25.790 241 1HE2 GLN 30 1HE2 GLN 30 7.990 12.858 26.873 242 H SER 31 H SER 31 0.940 10.210 25.526 243 HA SER 31 HA SER 31 0.556 7.868 27.353 244 1HB SER 31 1HB SER 31 -0.849 9.325 28.763 245 2HB SER 31 2HB SER 31 0.778 9.990 28.620 246 HG SER 31 HG SER 31 -0.160 11.199 26.770 247 H LEU 32 H LEU 32 -1.597 6.968 27.257 248 HA LEU 32 HA LEU 32 -2.854 6.839 24.744 249 1HB LEU 32 1HB LEU 32 -3.080 5.361 26.817 250 2HB LEU 32 2HB LEU 32 -4.224 6.558 27.424 251 HG LEU 32 HG LEU 32 -5.270 4.596 26.194 252 1HD1 LEU 32 1HD1 LEU 32 -6.171 7.051 26.450 253 2HD1 LEU 32 2HD1 LEU 32 -5.843 7.153 24.720 254 3HD1 LEU 32 3HD1 LEU 32 -6.974 5.946 25.333 255 1HD2 LEU 32 1HD2 LEU 32 -3.400 4.634 24.429 256 2HD2 LEU 32 2HD2 LEU 32 -5.049 4.432 23.832 257 3HD2 LEU 32 3HD2 LEU 32 -4.256 6.004 23.719 258 H ASP 33 H ASP 33 -3.899 8.733 27.589 259 HA ASP 33 HA ASP 33 -6.115 10.044 26.442 260 1HB ASP 33 1HB ASP 33 -4.035 10.825 28.499 261 2HB ASP 33 2HB ASP 33 -5.414 11.865 28.141 262 H GLY 34 H GLY 34 -2.660 10.804 26.268 263 1HA GLY 34 1HA GLY 34 -1.513 12.390 24.954 264 2HA GLY 34 2HA GLY 34 -3.034 13.261 24.775 265 H ILE 35 H ILE 35 -2.177 9.917 23.926 266 HA ILE 35 HA ILE 35 -1.925 10.248 21.123 267 HB ILE 35 HB ILE 35 -2.681 8.043 23.019 268 1HG1 ILE 35 1HG1 ILE 35 -0.329 8.608 22.744 269 2HG1 ILE 35 2HG1 ILE 35 -0.629 7.040 21.992 270 1HG2 ILE 35 1HG2 ILE 35 -2.944 7.971 20.010 271 2HG2 ILE 35 2HG2 ILE 35 -2.621 6.511 20.944 272 3HG2 ILE 35 3HG2 ILE 35 -4.104 7.426 21.221 273 1HD1 ILE 35 1HD1 ILE 35 -1.160 8.762 19.918 274 2HD1 ILE 35 2HD1 ILE 35 0.148 9.599 20.753 275 3HD1 ILE 35 3HD1 ILE 35 0.388 7.952 20.172 276 H MET 36 H MET 36 -4.783 9.908 23.183 277 HA MET 36 HA MET 36 -6.662 9.650 20.971 278 1HB MET 36 1HB MET 36 -6.687 9.999 23.925 279 2HB MET 36 2HB MET 36 -8.141 10.493 23.055 280 1HG MET 36 1HG MET 36 -6.799 7.787 22.757 281 2HG MET 36 2HG MET 36 -8.206 8.094 23.776 282 1HE MET 36 1HE MET 36 -10.335 8.487 23.235 283 2HE MET 36 2HE MET 36 -11.138 8.067 21.724 284 3HE MET 36 3HE MET 36 -10.295 6.823 22.658 285 H PHE 37 H PHE 37 -6.293 12.309 23.365 286 HA PHE 37 HA PHE 37 -7.800 14.244 22.035 287 1HB PHE 37 1HB PHE 37 -7.087 15.356 23.869 288 2HB PHE 37 2HB PHE 37 -5.936 14.060 24.182 289 HD1 PHE 37 HD1 PHE 37 -3.615 14.206 23.291 290 HD2 PHE 37 HD2 PHE 37 -6.390 17.459 22.941 291 HE1 PHE 37 HE1 PHE 37 -1.744 15.740 22.769 292 HE2 PHE 37 HE2 PHE 37 -4.516 18.999 22.419 293 HZ PHE 37 HZ PHE 37 -2.195 18.133 22.329 294 H ILE 38 H ILE 38 -4.295 13.588 21.579 295 HA ILE 38 HA ILE 38 -3.731 15.503 19.603 296 HB ILE 38 HB ILE 38 -2.804 12.662 20.074 297 1HG1 ILE 38 1HG1 ILE 38 -1.733 15.428 20.665 298 2HG1 ILE 38 2HG1 ILE 38 -2.085 14.130 21.804 299 1HG2 ILE 38 1HG2 ILE 38 -2.534 13.240 17.668 300 2HG2 ILE 38 2HG2 ILE 38 -1.639 14.686 18.138 301 3HG2 ILE 38 3HG2 ILE 38 -0.981 13.088 18.491 302 1HD1 ILE 38 1HD1 ILE 38 -0.264 12.956 20.082 303 2HD1 ILE 38 2HD1 ILE 38 0.333 14.611 20.218 304 3HD1 ILE 38 3HD1 ILE 38 0.119 13.628 21.667 305 H ASN 39 H ASN 39 -5.282 12.323 19.290 306 HA ASN 39 HA ASN 39 -5.465 12.344 16.407 307 1HB ASN 39 1HB ASN 39 -7.047 10.966 18.600 308 2HB ASN 39 2HB ASN 39 -7.182 10.563 16.889 309 2HD2 ASN 39 2HD2 ASN 39 -6.237 8.654 18.828 310 1HD2 ASN 39 1HD2 ASN 39 -4.604 8.330 18.498 311 H LYS 40 H LYS 40 -7.571 13.476 19.019 312 HA LYS 40 HA LYS 40 -9.809 14.183 17.323 313 1HB LYS 40 1HB LYS 40 -8.849 14.823 20.110 314 2HB LYS 40 2HB LYS 40 -10.274 15.629 19.454 315 1HG LYS 40 1HG LYS 40 -11.437 13.567 19.180 316 2HG LYS 40 2HG LYS 40 -9.967 12.621 19.413 317 1HD LYS 40 1HD LYS 40 -9.927 13.855 21.755 318 2HD LYS 40 2HD LYS 40 -11.654 14.041 21.446 319 1HE LYS 40 1HE LYS 40 -11.637 11.498 20.925 320 2HE LYS 40 2HE LYS 40 -10.064 11.486 21.745 321 1HZ LYS 40 1HZ LYS 40 -11.235 12.824 23.542 322 2HZ LYS 40 2HZ LYS 40 -12.693 12.346 22.815 323 3HZ LYS 40 3HZ LYS 40 -11.634 11.179 23.450 324 H CYS 41 H CYS 41 -6.866 15.841 18.368 325 HA CYS 41 HA CYS 41 -7.364 18.522 17.914 326 1HB CYS 41 1HB CYS 41 -5.185 17.021 18.332 327 2HB CYS 41 2HB CYS 41 -4.962 17.309 16.607 328 H ALA 42 H ALA 42 -6.069 16.451 15.289 329 HA ALA 42 HA ALA 42 -6.637 18.203 13.151 330 1HB ALA 42 1HB ALA 42 -6.719 15.169 13.152 331 2HB ALA 42 2HB ALA 42 -6.317 16.211 11.787 332 3HB ALA 42 3HB ALA 42 -5.229 16.112 13.172 333 H THR 43 H THR 43 -8.714 15.804 14.738 334 HA THR 43 HA THR 43 -10.884 15.942 12.836 335 HB THR 43 HB THR 43 -10.750 15.183 15.773 336 HG1 THR 43 HG1 THR 43 -10.353 13.833 13.339 337 1HG2 THR 43 1HG2 THR 43 -12.908 15.004 13.701 338 2HG2 THR 43 2HG2 THR 43 -12.775 13.728 14.912 339 3HG2 THR 43 3HG2 THR 43 -13.036 15.397 15.415 340 H CYS 44 H CYS 44 -10.565 17.341 16.125 341 HA CYS 44 HA CYS 44 -12.910 18.922 16.095 342 1HB CYS 44 1HB CYS 44 -10.228 19.541 17.374 343 2HB CYS 44 2HB CYS 44 -11.807 20.099 17.926 344 H LYS 45 H LYS 45 -9.660 19.611 14.838 345 HA LYS 45 HA LYS 45 -9.893 22.371 14.303 346 1HB LYS 45 1HB LYS 45 -7.830 21.109 14.070 347 2HB LYS 45 2HB LYS 45 -8.537 20.114 12.796 348 1HG LYS 45 1HG LYS 45 -8.955 22.539 11.710 349 2HG LYS 45 2HG LYS 45 -7.531 22.918 12.679 350 1HD LYS 45 1HD LYS 45 -7.619 20.486 10.891 351 2HD LYS 45 2HD LYS 45 -7.131 22.065 10.274 352 1HE LYS 45 1HE LYS 45 -5.428 22.159 12.168 353 2HE LYS 45 2HE LYS 45 -5.807 20.453 12.478 354 1HZ LYS 45 1HZ LYS 45 -5.373 20.013 10.107 355 2HZ LYS 45 2HZ LYS 45 -4.898 21.630 9.899 356 3HZ LYS 45 3HZ LYS 45 -3.996 20.600 10.905 357 H MET 46 H MET 46 -10.845 19.609 12.224 358 HA MET 46 HA MET 46 -11.822 21.240 10.060 359 1HB MET 46 1HB MET 46 -12.667 19.136 9.235 360 2HB MET 46 2HB MET 46 -11.138 18.803 10.044 361 1HG MET 46 1HG MET 46 -12.154 17.416 11.492 362 2HG MET 46 2HG MET 46 -13.295 18.674 11.954 363 1HE MET 46 1HE MET 46 -12.189 16.002 9.824 364 2HE MET 46 2HE MET 46 -13.612 15.211 9.151 365 3HE MET 46 3HE MET 46 -12.887 16.593 8.318 366 H ILE 47 H ILE 47 -13.194 20.271 13.110 367 HA ILE 47 HA ILE 47 -15.977 20.456 12.546 368 HB ILE 47 HB ILE 47 -14.425 21.255 15.032 369 1HG1 ILE 47 1HG1 ILE 47 -13.812 19.009 14.351 370 2HG1 ILE 47 2HG1 ILE 47 -14.922 18.886 15.715 371 1HG2 ILE 47 1HG2 ILE 47 -17.306 20.862 14.401 372 2HG2 ILE 47 2HG2 ILE 47 -16.735 20.196 15.931 373 3HG2 ILE 47 3HG2 ILE 47 -16.550 21.917 15.594 374 1HD1 ILE 47 1HD1 ILE 47 -16.744 18.830 13.778 375 2HD1 ILE 47 2HD1 ILE 47 -15.380 18.240 12.829 376 3HD1 ILE 47 3HD1 ILE 47 -15.899 17.362 14.268 377 H LEU 48 H LEU 48 -13.571 22.960 13.295 378 HA LEU 48 HA LEU 48 -15.515 25.133 13.396 379 1HB LEU 48 1HB LEU 48 -12.499 24.908 13.208 380 2HB LEU 48 2HB LEU 48 -13.326 26.464 13.293 381 HG LEU 48 HG LEU 48 -12.706 25.853 15.543 382 1HD1 LEU 48 1HD1 LEU 48 -15.289 26.410 14.768 383 2HD1 LEU 48 2HD1 LEU 48 -15.504 24.964 15.753 384 3HD1 LEU 48 3HD1 LEU 48 -14.723 26.389 16.438 385 1HD2 LEU 48 1HD2 LEU 48 -12.569 23.351 14.869 386 2HD2 LEU 48 2HD2 LEU 48 -13.087 23.735 16.511 387 3HD2 LEU 48 3HD2 LEU 48 -14.280 23.294 15.290 388 H GLU 49 H GLU 49 -13.236 23.849 10.980 389 HA GLU 49 HA GLU 49 -13.587 25.852 8.979 390 1HB GLU 49 1HB GLU 49 -13.038 22.873 8.750 391 2HB GLU 49 2HB GLU 49 -12.702 24.071 7.500 392 1HG GLU 49 1HG GLU 49 -11.135 25.224 8.991 393 2HG GLU 49 2HG GLU 49 -11.511 24.093 10.291 394 H LYS 50 H LYS 50 -15.579 23.116 9.921 395 HA LYS 50 HA LYS 50 -17.196 22.940 7.550 396 1HB LYS 50 1HB LYS 50 -17.547 22.215 10.466 397 2HB LYS 50 2HB LYS 50 -18.775 21.841 9.257 398 1HG LYS 50 1HG LYS 50 -15.924 21.068 8.727 399 2HG LYS 50 2HG LYS 50 -16.891 20.076 9.819 400 1HD LYS 50 1HD LYS 50 -18.520 19.635 8.118 401 2HD LYS 50 2HD LYS 50 -17.845 20.872 7.058 402 1HE LYS 50 1HE LYS 50 -15.711 19.526 6.961 403 2HE LYS 50 2HE LYS 50 -16.551 18.241 7.849 404 1HZ LYS 50 1HZ LYS 50 -17.856 19.460 5.513 405 2HZ LYS 50 2HZ LYS 50 -16.631 18.313 5.246 406 3HZ LYS 50 3HZ LYS 50 -18.013 17.886 6.132 407 H GLU 51 H GLU 51 -17.479 24.852 10.539 408 HA GLU 51 HA GLU 51 -20.093 25.907 10.101 409 1HB GLU 51 1HB GLU 51 -17.624 26.990 11.493 410 2HB GLU 51 2HB GLU 51 -19.234 27.691 11.665 411 1HG GLU 51 1HG GLU 51 -20.082 25.532 12.516 412 2HG GLU 51 2HG GLU 51 -18.471 24.834 12.348 413 H ALA 52 H ALA 52 -17.036 26.629 8.597 414 HA ALA 52 HA ALA 52 -17.792 29.288 7.633 415 1HB ALA 52 1HB ALA 52 -15.475 28.757 8.028 416 2HB ALA 52 2HB ALA 52 -15.667 28.908 6.281 417 3HB ALA 52 3HB ALA 52 -15.577 27.311 7.025 418 H LYS 53 H LYS 53 -18.602 29.785 5.577 419 HA LYS 53 HA LYS 53 -20.010 27.688 4.131 420 1HB LYS 53 1HB LYS 53 -19.455 30.627 3.625 421 2HB LYS 53 2HB LYS 53 -20.543 29.654 2.635 422 1HG LYS 53 1HG LYS 53 -21.980 29.218 4.532 423 2HG LYS 53 2HG LYS 53 -20.832 29.974 5.636 424 1HD LYS 53 1HD LYS 53 -21.158 32.140 4.509 425 2HD LYS 53 2HD LYS 53 -22.283 31.389 3.377 426 1HE LYS 53 1HE LYS 53 -22.645 31.735 6.371 427 2HE LYS 53 2HE LYS 53 -23.653 32.399 5.073 428 1HZ LYS 53 1HZ LYS 53 -23.854 29.948 4.357 429 2HZ LYS 53 2HZ LYS 53 -23.359 29.589 5.942 430 3HZ LYS 53 3HZ LYS 53 -24.782 30.474 5.679 431 H SER 54 H SER 54 -16.787 28.486 4.174 432 HA SER 54 HA SER 54 -16.157 28.483 1.339 433 1HB SER 54 1HB SER 54 -14.539 27.910 3.843 434 2HB SER 54 2HB SER 54 -13.846 28.175 2.242 435 HG SER 54 HG SER 54 -14.794 29.971 4.047 436 H GLN 55 H GLN 55 -16.852 26.014 3.685 437 HA GLN 55 HA GLN 55 -15.709 23.900 1.907 438 1HB GLN 55 1HB GLN 55 -16.615 24.014 4.796 439 2HB GLN 55 2HB GLN 55 -16.162 22.507 4.000 440 1HG GLN 55 1HG GLN 55 -13.957 23.617 3.398 441 2HG GLN 55 2HG GLN 55 -14.420 24.940 4.469 442 2HE2 GLN 55 2HE2 GLN 55 -12.208 22.862 4.764 443 1HE2 GLN 55 1HE2 GLN 55 -12.493 22.143 6.275 No H/Q in entry = 443 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 -26.293 25.366 23.799 2 H2 LYS 1 H2 LYS 1 -26.687 25.065 25.420 3 H3 LYS 1 H3 LYS 1 -25.401 26.110 25.040 4 HA LYS 1 HA LYS 1 -23.989 24.394 24.424 5 1HB LYS 1 1HB LYS 1 -24.707 24.532 26.857 6 2HB LYS 1 2HB LYS 1 -25.813 23.198 26.530 7 1HG LYS 1 1HG LYS 1 -23.930 21.785 25.827 8 2HG LYS 1 2HG LYS 1 -22.811 23.122 26.094 9 1HD LYS 1 1HD LYS 1 -23.584 23.171 28.500 10 2HD LYS 1 2HD LYS 1 -24.483 21.688 28.177 11 1HE LYS 1 1HE LYS 1 -22.344 20.596 27.458 12 2HE LYS 1 2HE LYS 1 -21.476 22.069 27.931 13 1HZ LYS 1 1HZ LYS 1 -23.304 20.542 29.716 14 2HZ LYS 1 2HZ LYS 1 -21.614 20.389 29.736 15 3HZ LYS 1 3HZ LYS 1 -22.337 21.870 30.149 16 H ASN 2 H ASN 2 -24.827 23.777 22.242 17 HA ASN 2 HA ASN 2 -26.397 21.221 22.303 18 1HB ASN 2 1HB ASN 2 -27.497 23.172 21.235 19 2HB ASN 2 2HB ASN 2 -26.121 23.340 20.146 20 2HD2 ASN 2 2HD2 ASN 2 -27.010 20.071 20.982 21 1HD2 ASN 2 1HD2 ASN 2 -27.776 19.690 19.517 22 H GLU 3 H GLU 3 -25.188 19.459 21.743 23 HA GLU 3 HA GLU 3 -22.470 19.624 20.827 24 1HB GLU 3 1HB GLU 3 -24.500 17.367 20.782 25 2HB GLU 3 2HB GLU 3 -22.755 17.166 20.618 26 1HG GLU 3 1HG GLU 3 -24.111 18.450 23.009 27 2HG GLU 3 2HG GLU 3 -23.575 16.770 22.954 28 H ASP 4 H ASP 4 -25.459 19.865 19.149 29 HA ASP 4 HA ASP 4 -24.563 18.782 16.593 30 1HB ASP 4 1HB ASP 4 -26.889 20.373 17.653 31 2HB ASP 4 2HB ASP 4 -26.699 20.145 15.915 32 H GLN 5 H GLN 5 -23.553 21.452 18.243 33 HA GLN 5 HA GLN 5 -23.096 23.016 15.720 34 1HB GLN 5 1HB GLN 5 -23.331 24.043 18.565 35 2HB GLN 5 2HB GLN 5 -23.288 25.010 17.091 36 1HG GLN 5 1HG GLN 5 -25.421 22.922 17.543 37 2HG GLN 5 2HG GLN 5 -25.604 24.569 18.145 38 2HE2 GLN 5 2HE2 GLN 5 -26.647 22.785 15.649 39 1HE2 GLN 5 1HE2 GLN 5 -26.630 23.932 14.399 40 H GLU 6 H GLU 6 -21.785 21.807 18.751 41 HA GLU 6 HA GLU 6 -19.031 22.398 17.738 42 1HB GLU 6 1HB GLU 6 -20.293 23.007 20.421 43 2HB GLU 6 2HB GLU 6 -18.543 22.943 20.206 44 1HG GLU 6 1HG GLU 6 -20.441 24.727 18.649 45 2HG GLU 6 2HG GLU 6 -19.389 25.254 19.961 46 H MET 7 H MET 7 -19.967 19.917 17.327 47 HA MET 7 HA MET 7 -20.108 17.943 19.241 48 1HB MET 7 1HB MET 7 -18.506 17.954 16.661 49 2HB MET 7 2HB MET 7 -19.031 16.501 17.512 50 1HG MET 7 1HG MET 7 -21.409 17.418 17.326 51 2HG MET 7 2HG MET 7 -20.760 18.611 16.200 52 1HE MET 7 1HE MET 7 -22.577 17.867 15.009 53 2HE MET 7 2HE MET 7 -22.184 17.039 13.504 54 3HE MET 7 3HE MET 7 -23.037 16.180 14.794 55 H CYS 8 H CYS 8 -17.240 19.782 18.338 56 HA CYS 8 HA CYS 8 -15.549 18.103 20.136 57 1HB CYS 8 1HB CYS 8 -14.632 18.469 17.955 58 2HB CYS 8 2HB CYS 8 -15.032 20.186 18.001 59 H HIS 9 H HIS 9 -15.728 18.833 22.240 60 HA HIS 9 HA HIS 9 -15.724 21.795 22.706 61 1HB HIS 9 1HB HIS 9 -16.774 19.398 24.224 62 2HB HIS 9 2HB HIS 9 -16.622 20.983 24.983 63 HD1 HIS 9 HD1 HIS 9 -19.298 19.273 23.984 64 HD2 HIS 9 HD2 HIS 9 -17.720 22.794 22.405 65 HE1 HIS 9 HE1 HIS 9 -21.194 20.419 22.754 66 H GLU 10 H GLU 10 -13.816 18.981 22.935 67 HA GLU 10 HA GLU 10 -12.309 19.616 25.332 68 1HB GLU 10 1HB GLU 10 -11.912 17.846 22.910 69 2HB GLU 10 2HB GLU 10 -10.733 17.916 24.219 70 1HG GLU 10 1HG GLU 10 -12.486 17.277 25.835 71 2HG GLU 10 2HG GLU 10 -13.667 17.206 24.526 72 H PHE 11 H PHE 11 -11.717 20.089 21.834 73 HA PHE 11 HA PHE 11 -9.222 21.567 22.363 74 1HB PHE 11 1HB PHE 11 -10.829 20.718 19.964 75 2HB PHE 11 2HB PHE 11 -9.467 21.819 19.787 76 HD1 PHE 11 HD1 PHE 11 -10.414 18.478 21.184 77 HD2 PHE 11 HD2 PHE 11 -7.261 21.005 19.730 78 HE1 PHE 11 HE1 PHE 11 -8.843 16.565 21.266 79 HE2 PHE 11 HE2 PHE 11 -5.688 19.091 19.816 80 HZ PHE 11 HZ PHE 11 -6.479 16.877 20.587 81 H GLN 12 H GLN 12 -12.572 22.306 22.120 82 HA GLN 12 HA GLN 12 -12.759 24.767 20.854 83 1HB GLN 12 1HB GLN 12 -14.515 23.423 22.119 84 2HB GLN 12 2HB GLN 12 -13.895 24.160 23.597 85 1HG GLN 12 1HG GLN 12 -14.492 26.353 22.870 86 2HG GLN 12 2HG GLN 12 -14.767 25.807 21.215 87 2HE2 GLN 12 2HE2 GLN 12 -17.009 26.738 21.468 88 1HE2 GLN 12 1HE2 GLN 12 -18.192 25.832 22.282 89 H ALA 13 H ALA 13 -11.538 24.167 24.155 90 HA ALA 13 HA ALA 13 -11.049 26.867 24.901 91 1HB ALA 13 1HB ALA 13 -9.962 25.873 26.702 92 2HB ALA 13 2HB ALA 13 -9.202 24.642 25.692 93 3HB ALA 13 3HB ALA 13 -10.909 24.504 26.117 94 H PHE 14 H PHE 14 -9.419 24.806 22.625 95 HA PHE 14 HA PHE 14 -6.917 26.363 22.666 96 1HB PHE 14 1HB PHE 14 -7.952 24.169 20.843 97 2HB PHE 14 2HB PHE 14 -6.284 24.727 20.944 98 HD1 PHE 14 HD1 PHE 14 -6.651 25.187 24.101 99 HD2 PHE 14 HD2 PHE 14 -7.191 21.871 21.430 100 HE1 PHE 14 HE1 PHE 14 -6.243 23.613 25.973 101 HE2 PHE 14 HE2 PHE 14 -6.784 20.295 23.298 102 HZ PHE 14 HZ PHE 14 -6.309 21.166 25.572 103 H MET 15 H MET 15 -9.793 27.323 21.704 104 HA MET 15 HA MET 15 -9.178 28.100 18.922 105 1HB MET 15 1HB MET 15 -11.523 28.538 20.792 106 2HB MET 15 2HB MET 15 -11.499 29.033 19.101 107 1HG MET 15 1HG MET 15 -11.042 26.674 18.456 108 2HG MET 15 2HG MET 15 -11.179 26.215 20.149 109 1HE MET 15 1HE MET 15 -13.344 27.404 21.540 110 2HE MET 15 2HE MET 15 -13.350 28.828 20.503 111 3HE MET 15 3HE MET 15 -14.830 27.898 20.717 112 H LYS 16 H LYS 16 -7.736 29.777 18.824 113 HA LYS 16 HA LYS 16 -7.843 31.981 20.806 114 1HB LYS 16 1HB LYS 16 -5.685 31.042 20.174 115 2HB LYS 16 2HB LYS 16 -6.031 31.308 18.465 116 1HG LYS 16 1HG LYS 16 -6.067 33.728 18.817 117 2HG LYS 16 2HG LYS 16 -5.834 33.504 20.550 118 1HD LYS 16 1HD LYS 16 -3.683 32.237 19.924 119 2HD LYS 16 2HD LYS 16 -3.886 32.924 18.312 120 1HE LYS 16 1HE LYS 16 -3.635 34.492 20.907 121 2HE LYS 16 2HE LYS 16 -2.430 34.401 19.609 122 1HZ LYS 16 1HZ LYS 16 -4.301 35.155 18.097 123 2HZ LYS 16 2HZ LYS 16 -5.158 35.562 19.506 124 3HZ LYS 16 3HZ LYS 16 -3.684 36.327 19.155 125 H ASN 17 H ASN 17 -9.596 33.323 20.308 126 HA ASN 17 HA ASN 17 -10.906 34.844 19.054 127 1HB ASN 17 1HB ASN 17 -8.535 35.774 19.010 128 2HB ASN 17 2HB ASN 17 -8.361 35.035 17.418 129 2HD2 ASN 17 2HD2 ASN 17 -8.851 37.980 18.644 130 1HD2 ASN 17 1HD2 ASN 17 -9.950 38.627 17.525 131 H GLY 18 H GLY 18 -11.588 32.329 18.336 132 1HA GLY 18 1HA GLY 18 -12.419 32.598 15.591 133 2HA GLY 18 2HA GLY 18 -12.629 31.157 16.587 134 H LYS 19 H LYS 19 -9.598 31.280 17.106 135 HA LYS 19 HA LYS 19 -8.799 29.980 14.524 136 1HB LYS 19 1HB LYS 19 -7.941 32.354 14.999 137 2HB LYS 19 2HB LYS 19 -7.006 31.635 16.311 138 1HG LYS 19 1HG LYS 19 -6.872 30.548 13.496 139 2HG LYS 19 2HG LYS 19 -5.835 31.874 14.022 140 1HD LYS 19 1HD LYS 19 -5.122 30.398 15.965 141 2HD LYS 19 2HD LYS 19 -5.967 29.071 15.165 142 1HE LYS 19 1HE LYS 19 -4.545 29.353 13.166 143 2HE LYS 19 2HE LYS 19 -3.707 30.707 13.949 144 1HZ LYS 19 1HZ LYS 19 -3.976 28.217 15.460 145 2HZ LYS 19 2HZ LYS 19 -2.857 28.223 14.183 146 3HZ LYS 19 3HZ LYS 19 -2.707 29.341 15.453 147 H LEU 20 H LEU 20 -8.938 27.837 15.306 148 HA LEU 20 HA LEU 20 -8.041 27.010 17.923 149 1HB LEU 20 1HB LEU 20 -9.672 25.903 16.268 150 2HB LEU 20 2HB LEU 20 -8.238 25.321 15.421 151 HG LEU 20 HG LEU 20 -8.850 24.818 18.348 152 1HD1 LEU 20 1HD1 LEU 20 -9.779 23.528 15.951 153 2HD1 LEU 20 2HD1 LEU 20 -8.712 22.427 16.824 154 3HD1 LEU 20 3HD1 LEU 20 -10.126 23.109 17.629 155 1HD2 LEU 20 1HD2 LEU 20 -6.534 24.251 16.554 156 2HD2 LEU 20 2HD2 LEU 20 -6.555 24.632 18.276 157 3HD2 LEU 20 3HD2 LEU 20 -6.983 23.011 17.726 158 H PHE 21 H PHE 21 -5.943 26.732 18.583 159 HA PHE 21 HA PHE 21 -3.836 26.537 16.464 160 1HB PHE 21 1HB PHE 21 -2.388 27.199 18.536 161 2HB PHE 21 2HB PHE 21 -3.410 28.427 17.794 162 HD1 PHE 21 HD1 PHE 21 -3.016 26.157 20.684 163 HD2 PHE 21 HD2 PHE 21 -5.388 29.271 18.914 164 HE1 PHE 21 HE1 PHE 21 -4.184 26.496 22.844 165 HE2 PHE 21 HE2 PHE 21 -6.555 29.610 21.076 166 HZ PHE 21 HZ PHE 21 -5.953 28.223 23.040 167 H CYS 22 H CYS 22 -4.297 24.192 16.273 168 HA CYS 22 HA CYS 22 -4.178 22.296 18.346 169 1HB CYS 22 1HB CYS 22 -4.695 22.060 15.831 170 2HB CYS 22 2HB CYS 22 -2.956 21.887 15.614 171 HA PRO 23 HA PRO 23 0.630 22.112 17.653 172 1HB PRO 23 1HB PRO 23 1.459 24.785 16.987 173 2HB PRO 23 2HB PRO 23 1.665 23.312 16.037 174 1HG PRO 23 1HG PRO 23 -0.093 25.502 15.502 175 2HG PRO 23 2HG PRO 23 0.061 23.998 14.591 176 1HD PRO 23 1HD PRO 23 -2.098 24.837 16.327 177 2HD PRO 23 2HD PRO 23 -1.998 23.371 15.331 178 H GLN 24 H GLN 24 -0.287 22.199 19.969 179 HA GLN 24 HA GLN 24 0.712 24.643 21.398 180 1HB GLN 24 1HB GLN 24 -1.686 24.465 21.546 181 2HB GLN 24 2HB GLN 24 -1.590 22.746 21.924 182 1HG GLN 24 1HG GLN 24 -0.350 23.343 24.026 183 2HG GLN 24 2HG GLN 24 -0.646 25.042 23.663 184 2HE2 GLN 24 2HE2 GLN 24 -2.430 21.943 24.125 185 1HE2 GLN 24 1HE2 GLN 24 -3.818 22.669 24.780 186 H ASP 25 H ASP 25 -0.334 21.603 22.830 187 HA ASP 25 HA ASP 25 2.508 20.992 23.566 188 1HB ASP 25 1HB ASP 25 0.810 22.168 25.254 189 2HB ASP 25 2HB ASP 25 0.248 20.511 25.473 190 H LYS 26 H LYS 26 1.923 19.503 21.583 191 HA LYS 26 HA LYS 26 0.082 17.325 21.902 192 1HB LYS 26 1HB LYS 26 2.441 18.018 20.185 193 2HB LYS 26 2HB LYS 26 1.797 16.377 20.114 194 1HG LYS 26 1HG LYS 26 -0.451 17.285 19.623 195 2HG LYS 26 2HG LYS 26 0.200 18.923 19.685 196 1HD LYS 26 1HD LYS 26 1.874 18.101 17.882 197 2HD LYS 26 2HD LYS 26 0.757 16.754 17.663 198 1HE LYS 26 1HE LYS 26 -1.090 18.409 17.277 199 2HE LYS 26 2HE LYS 26 0.113 19.711 17.360 200 1HZ LYS 26 1HZ LYS 26 1.367 18.591 15.605 201 2HZ LYS 26 2HZ LYS 26 0.182 17.377 15.511 202 3HZ LYS 26 3HZ LYS 26 -0.197 18.974 15.072 203 H LYS 27 H LYS 27 2.936 17.963 23.592 204 HA LYS 27 HA LYS 27 4.437 15.680 23.852 205 1HB LYS 27 1HB LYS 27 3.315 17.677 25.793 206 2HB LYS 27 2HB LYS 27 4.268 16.329 26.412 207 1HG LYS 27 1HG LYS 27 6.140 16.945 24.964 208 2HG LYS 27 2HG LYS 27 5.184 18.238 24.241 209 1HD LYS 27 1HD LYS 27 4.965 19.260 26.530 210 2HD LYS 27 2HD LYS 27 6.092 18.040 27.127 211 1HE LYS 27 1HE LYS 27 6.630 20.219 25.085 212 2HE LYS 27 2HE LYS 27 7.456 19.942 26.630 213 1HZ LYS 27 1HZ LYS 27 7.879 17.607 25.633 214 2HZ LYS 27 2HZ LYS 27 7.587 18.362 24.139 215 3HZ LYS 27 3HZ LYS 27 8.858 18.900 25.126 216 H PHE 28 H PHE 28 1.074 16.065 24.806 217 HA PHE 28 HA PHE 28 0.653 13.944 26.583 218 1HB PHE 28 1HB PHE 28 -1.085 14.696 24.214 219 2HB PHE 28 2HB PHE 28 -1.622 14.023 25.750 220 HD1 PHE 28 HD1 PHE 28 -0.312 15.481 27.805 221 HD2 PHE 28 HD2 PHE 28 -1.740 16.928 24.020 222 HE1 PHE 28 HE1 PHE 28 -0.512 17.765 28.753 223 HE2 PHE 28 HE2 PHE 28 -1.942 19.210 24.969 224 HZ PHE 28 HZ PHE 28 -1.326 19.629 27.333 225 H PHE 29 H PHE 29 1.560 13.806 23.226 226 HA PHE 29 HA PHE 29 0.629 11.313 22.354 227 1HB PHE 29 1HB PHE 29 1.909 12.947 21.027 228 2HB PHE 29 2HB PHE 29 3.346 12.619 21.993 229 HD1 PHE 29 HD1 PHE 29 4.118 10.115 22.104 230 HD2 PHE 29 HD2 PHE 29 1.519 11.712 19.078 231 HE1 PHE 29 HE1 PHE 29 4.685 8.216 20.613 232 HE2 PHE 29 HE2 PHE 29 2.087 9.812 17.588 233 HZ PHE 29 HZ PHE 29 3.670 8.065 18.356 234 H GLN 30 H GLN 30 2.895 11.975 24.903 235 HA GLN 30 HA GLN 30 4.375 9.513 24.881 236 1HB GLN 30 1HB GLN 30 3.667 11.579 26.976 237 2HB GLN 30 2HB GLN 30 4.756 10.232 27.308 238 1HG GLN 30 1HG GLN 30 5.968 11.042 25.119 239 2HG GLN 30 2HG GLN 30 5.137 12.563 25.451 240 2HE2 GLN 30 2HE2 GLN 30 6.411 13.952 26.669 241 1HE2 GLN 30 1HE2 GLN 30 7.530 13.472 27.852 242 H SER 31 H SER 31 1.085 10.033 25.479 243 HA SER 31 HA SER 31 0.887 7.374 26.821 244 1HB SER 31 1HB SER 31 -0.343 9.985 27.756 245 2HB SER 31 2HB SER 31 -0.723 8.405 28.440 246 HG SER 31 HG SER 31 1.225 8.281 29.314 247 H LEU 32 H LEU 32 -1.335 6.478 26.662 248 HA LEU 32 HA LEU 32 -2.515 6.770 24.084 249 1HB LEU 32 1HB LEU 32 -2.624 4.907 25.922 250 2HB LEU 32 2HB LEU 32 -4.005 5.827 26.520 251 HG LEU 32 HG LEU 32 -4.647 4.014 24.910 252 1HD1 LEU 32 1HD1 LEU 32 -5.668 6.514 25.161 253 2HD1 LEU 32 2HD1 LEU 32 -5.271 6.517 23.442 254 3HD1 LEU 32 3HD1 LEU 32 -6.361 5.293 24.093 255 1HD2 LEU 32 1HD2 LEU 32 -2.447 4.608 23.535 256 2HD2 LEU 32 2HD2 LEU 32 -3.874 3.958 22.727 257 3HD2 LEU 32 3HD2 LEU 32 -3.550 5.691 22.687 258 H ASP 33 H ASP 33 -3.858 7.774 27.244 259 HA ASP 33 HA ASP 33 -6.090 9.205 26.348 260 1HB ASP 33 1HB ASP 33 -4.128 9.686 28.613 261 2HB ASP 33 2HB ASP 33 -5.641 10.579 28.460 262 H GLY 34 H GLY 34 -2.693 10.172 26.486 263 1HA GLY 34 1HA GLY 34 -1.613 12.088 25.640 264 2HA GLY 34 2HA GLY 34 -3.185 12.889 25.591 265 H ILE 35 H ILE 35 -2.119 9.870 24.054 266 HA ILE 35 HA ILE 35 -1.762 10.821 21.412 267 HB ILE 35 HB ILE 35 -2.588 8.219 22.692 268 1HG1 ILE 35 1HG1 ILE 35 -0.223 9.090 22.759 269 2HG1 ILE 35 2HG1 ILE 35 -0.386 7.519 21.972 270 1HG2 ILE 35 1HG2 ILE 35 -2.511 8.892 19.751 271 2HG2 ILE 35 2HG2 ILE 35 -2.175 7.256 20.317 272 3HG2 ILE 35 3HG2 ILE 35 -3.743 7.998 20.641 273 1HD1 ILE 35 1HD1 ILE 35 -0.694 9.873 20.197 274 2HD1 ILE 35 2HD1 ILE 35 0.923 9.626 20.856 275 3HD1 ILE 35 3HD1 ILE 35 0.152 8.352 19.912 276 H MET 36 H MET 36 -4.690 10.026 23.219 277 HA MET 36 HA MET 36 -6.570 9.905 21.096 278 1HB MET 36 1HB MET 36 -6.535 10.539 24.002 279 2HB MET 36 2HB MET 36 -7.971 11.039 23.109 280 1HG MET 36 1HG MET 36 -8.048 8.673 22.161 281 2HG MET 36 2HG MET 36 -6.821 8.249 23.355 282 1HE MET 36 1HE MET 36 -9.736 7.656 22.412 283 2HE MET 36 2HE MET 36 -9.891 6.618 23.827 284 3HE MET 36 3HE MET 36 -11.033 7.944 23.569 285 H PHE 37 H PHE 37 -5.904 12.772 23.166 286 HA PHE 37 HA PHE 37 -7.354 14.680 21.760 287 1HB PHE 37 1HB PHE 37 -6.408 15.842 23.450 288 2HB PHE 37 2HB PHE 37 -5.243 14.546 23.707 289 HD1 PHE 37 HD1 PHE 37 -3.054 14.581 22.490 290 HD2 PHE 37 HD2 PHE 37 -5.794 17.874 22.350 291 HE1 PHE 37 HE1 PHE 37 -1.250 16.038 21.634 292 HE2 PHE 37 HE2 PHE 37 -3.992 19.336 21.482 293 HZ PHE 37 HZ PHE 37 -1.722 18.408 21.123 294 H ILE 38 H ILE 38 -3.928 13.788 21.068 295 HA ILE 38 HA ILE 38 -3.496 15.412 18.822 296 HB ILE 38 HB ILE 38 -2.636 12.578 19.473 297 1HG1 ILE 38 1HG1 ILE 38 -1.429 15.321 19.896 298 2HG1 ILE 38 2HG1 ILE 38 -1.861 14.131 21.125 299 1HG2 ILE 38 1HG2 ILE 38 -2.444 13.760 16.988 300 2HG2 ILE 38 2HG2 ILE 38 -0.907 14.199 17.731 301 3HG2 ILE 38 3HG2 ILE 38 -1.366 12.502 17.592 302 1HD1 ILE 38 1HD1 ILE 38 0.247 13.675 18.996 303 2HD1 ILE 38 2HD1 ILE 38 0.603 14.223 20.634 304 3HD1 ILE 38 3HD1 ILE 38 -0.111 12.633 20.373 305 H ASN 39 H ASN 39 -5.270 12.366 19.086 306 HA ASN 39 HA ASN 39 -5.708 12.144 16.190 307 1HB ASN 39 1HB ASN 39 -6.766 10.714 18.647 308 2HB ASN 39 2HB ASN 39 -7.175 10.241 16.998 309 2HD2 ASN 39 2HD2 ASN 39 -5.269 9.168 19.354 310 1HD2 ASN 39 1HD2 ASN 39 -3.890 8.693 18.485 311 H LYS 40 H LYS 40 -7.260 13.681 18.891 312 HA LYS 40 HA LYS 40 -9.886 13.861 17.543 313 1HB LYS 40 1HB LYS 40 -9.560 13.482 20.002 314 2HB LYS 40 2HB LYS 40 -8.845 15.090 20.115 315 1HG LYS 40 1HG LYS 40 -10.894 16.143 19.453 316 2HG LYS 40 2HG LYS 40 -11.607 14.602 18.976 317 1HD LYS 40 1HD LYS 40 -11.635 13.846 21.288 318 2HD LYS 40 2HD LYS 40 -10.770 15.292 21.809 319 1HE LYS 40 1HE LYS 40 -13.236 15.463 22.224 320 2HE LYS 40 2HE LYS 40 -12.672 16.699 21.083 321 1HZ LYS 40 1HZ LYS 40 -13.529 14.038 20.126 322 2HZ LYS 40 2HZ LYS 40 -14.685 15.245 20.426 323 3HZ LYS 40 3HZ LYS 40 -13.468 15.507 19.275 324 H CYS 41 H CYS 41 -7.038 15.872 18.132 325 HA CYS 41 HA CYS 41 -8.144 18.439 17.639 326 1HB CYS 41 1HB CYS 41 -5.797 17.638 18.420 327 2HB CYS 41 2HB CYS 41 -5.415 17.560 16.703 328 H ALA 42 H ALA 42 -6.094 16.792 15.206 329 HA ALA 42 HA ALA 42 -6.842 18.189 12.945 330 1HB ALA 42 1HB ALA 42 -6.271 15.252 13.406 331 2HB ALA 42 2HB ALA 42 -6.441 15.927 11.785 332 3HB ALA 42 3HB ALA 42 -5.155 16.499 12.849 333 H THR 43 H THR 43 -8.694 15.627 14.553 334 HA THR 43 HA THR 43 -10.769 15.528 12.490 335 HB THR 43 HB THR 43 -10.608 14.489 15.342 336 HG1 THR 43 HG1 THR 43 -9.078 13.765 13.629 337 1HG2 THR 43 1HG2 THR 43 -12.913 14.754 14.126 338 2HG2 THR 43 2HG2 THR 43 -12.365 13.372 13.177 339 3HG2 THR 43 3HG2 THR 43 -12.531 13.231 14.928 340 H CYS 44 H CYS 44 -10.135 17.322 15.411 341 HA CYS 44 HA CYS 44 -12.900 18.287 15.712 342 1HB CYS 44 1HB CYS 44 -11.585 17.950 17.693 343 2HB CYS 44 2HB CYS 44 -10.225 18.849 17.019 344 H LYS 45 H LYS 45 -9.734 19.585 14.692 345 HA LYS 45 HA LYS 45 -10.407 22.270 14.215 346 1HB LYS 45 1HB LYS 45 -8.151 21.406 14.036 347 2HB LYS 45 2HB LYS 45 -8.619 20.325 12.724 348 1HG LYS 45 1HG LYS 45 -9.410 22.680 11.660 349 2HG LYS 45 2HG LYS 45 -8.084 23.250 12.672 350 1HD LYS 45 1HD LYS 45 -6.673 21.392 11.641 351 2HD LYS 45 2HD LYS 45 -7.977 21.173 10.475 352 1HE LYS 45 1HE LYS 45 -7.770 23.614 9.879 353 2HE LYS 45 2HE LYS 45 -6.341 23.694 10.926 354 1HZ LYS 45 1HZ LYS 45 -6.613 21.572 8.887 355 2HZ LYS 45 2HZ LYS 45 -6.010 23.101 8.455 356 3HZ LYS 45 3HZ LYS 45 -5.202 22.165 9.621 357 H MET 46 H MET 46 -10.800 19.467 12.028 358 HA MET 46 HA MET 46 -11.860 20.880 9.793 359 1HB MET 46 1HB MET 46 -12.814 18.591 9.270 360 2HB MET 46 2HB MET 46 -11.094 18.585 9.660 361 1HG MET 46 1HG MET 46 -11.500 17.136 11.332 362 2HG MET 46 2HG MET 46 -12.512 18.350 12.114 363 1HE MET 46 1HE MET 46 -12.518 16.517 8.848 364 2HE MET 46 2HE MET 46 -12.516 15.058 9.835 365 3HE MET 46 3HE MET 46 -13.930 15.452 8.860 366 H ILE 47 H ILE 47 -13.326 19.879 12.822 367 HA ILE 47 HA ILE 47 -16.080 19.942 12.136 368 HB ILE 47 HB ILE 47 -14.715 20.898 14.677 369 1HG1 ILE 47 1HG1 ILE 47 -13.846 18.718 14.170 370 2HG1 ILE 47 2HG1 ILE 47 -15.106 18.484 15.380 371 1HG2 ILE 47 1HG2 ILE 47 -17.206 21.327 14.377 372 2HG2 ILE 47 2HG2 ILE 47 -17.417 19.577 14.325 373 3HG2 ILE 47 3HG2 ILE 47 -16.775 20.346 15.777 374 1HD1 ILE 47 1HD1 ILE 47 -15.491 18.182 12.386 375 2HD1 ILE 47 2HD1 ILE 47 -15.291 16.847 13.520 376 3HD1 ILE 47 3HD1 ILE 47 -16.712 17.886 13.624 377 H LEU 48 H LEU 48 -13.815 22.559 12.920 378 HA LEU 48 HA LEU 48 -15.803 24.667 12.963 379 1HB LEU 48 1HB LEU 48 -12.801 24.682 12.498 380 2HB LEU 48 2HB LEU 48 -13.774 26.091 12.922 381 HG LEU 48 HG LEU 48 -14.288 23.903 14.754 382 1HD1 LEU 48 1HD1 LEU 48 -11.421 24.793 14.358 383 2HD1 LEU 48 2HD1 LEU 48 -11.998 24.050 15.849 384 3HD1 LEU 48 3HD1 LEU 48 -12.048 23.145 14.337 385 1HD2 LEU 48 1HD2 LEU 48 -14.696 26.408 15.006 386 2HD2 LEU 48 2HD2 LEU 48 -13.935 25.619 16.388 387 3HD2 LEU 48 3HD2 LEU 48 -12.961 26.573 15.270 388 H GLU 49 H GLU 49 -13.543 23.411 10.497 389 HA GLU 49 HA GLU 49 -13.885 25.261 8.432 390 1HB GLU 49 1HB GLU 49 -13.817 22.226 8.307 391 2HB GLU 49 2HB GLU 49 -13.450 23.301 6.959 392 1HG GLU 49 1HG GLU 49 -11.643 24.337 8.379 393 2HG GLU 49 2HG GLU 49 -11.943 23.080 9.579 394 H LYS 50 H LYS 50 -16.209 23.002 9.734 395 HA LYS 50 HA LYS 50 -18.128 23.668 7.533 396 1HB LYS 50 1HB LYS 50 -19.242 21.594 8.225 397 2HB LYS 50 2HB LYS 50 -17.529 21.280 7.946 398 1HG LYS 50 1HG LYS 50 -17.088 20.939 10.177 399 2HG LYS 50 2HG LYS 50 -18.317 22.091 10.703 400 1HD LYS 50 1HD LYS 50 -20.086 20.477 10.065 401 2HD LYS 50 2HD LYS 50 -18.844 19.321 9.582 402 1HE LYS 50 1HE LYS 50 -17.926 19.585 11.991 403 2HE LYS 50 2HE LYS 50 -19.495 20.322 12.360 404 1HZ LYS 50 1HZ LYS 50 -19.299 17.780 10.859 405 2HZ LYS 50 2HZ LYS 50 -19.300 17.788 12.558 406 3HZ LYS 50 3HZ LYS 50 -20.631 18.408 11.701 407 H GLU 51 H GLU 51 -17.388 24.263 10.830 408 HA GLU 51 HA GLU 51 -19.893 24.501 12.090 409 1HB GLU 51 1HB GLU 51 -17.875 24.809 13.325 410 2HB GLU 51 2HB GLU 51 -17.314 26.076 12.234 411 1HG GLU 51 1HG GLU 51 -19.257 27.486 12.967 412 2HG GLU 51 2HG GLU 51 -19.657 26.243 14.152 413 H ALA 52 H ALA 52 -18.392 26.565 9.669 414 HA ALA 52 HA ALA 52 -20.300 28.761 9.994 415 1HB ALA 52 1HB ALA 52 -17.812 28.605 9.064 416 2HB ALA 52 2HB ALA 52 -18.642 28.297 7.539 417 3HB ALA 52 3HB ALA 52 -18.938 29.798 8.416 418 H LYS 53 H LYS 53 -21.801 29.380 8.218 419 HA LYS 53 HA LYS 53 -23.257 27.040 7.186 420 1HB LYS 53 1HB LYS 53 -23.682 30.039 6.975 421 2HB LYS 53 2HB LYS 53 -24.859 28.817 6.494 422 1HG LYS 53 1HG LYS 53 -23.699 29.026 9.287 423 2HG LYS 53 2HG LYS 53 -25.233 29.753 8.808 424 1HD LYS 53 1HD LYS 53 -26.071 27.520 8.140 425 2HD LYS 53 2HD LYS 53 -24.543 26.803 8.652 426 1HE LYS 53 1HE LYS 53 -24.936 27.486 10.961 427 2HE LYS 53 2HE LYS 53 -26.397 28.371 10.482 428 1HZ LYS 53 1HZ LYS 53 -25.983 25.488 9.902 429 2HZ LYS 53 2HZ LYS 53 -26.772 26.033 11.305 430 3HZ LYS 53 3HZ LYS 53 -27.427 26.375 9.779 431 H SER 54 H SER 54 -20.744 29.047 6.062 432 HA SER 54 HA SER 54 -21.443 29.153 3.246 433 1HB SER 54 1HB SER 54 -19.086 29.891 3.054 434 2HB SER 54 2HB SER 54 -19.894 30.705 4.393 435 HG SER 54 HG SER 54 -18.284 29.959 5.506 436 H GLN 55 H GLN 55 -20.045 26.736 5.324 437 HA GLN 55 HA GLN 55 -19.683 24.956 2.953 438 1HB GLN 55 1HB GLN 55 -17.694 25.652 5.127 439 2HB GLN 55 2HB GLN 55 -17.520 24.215 4.119 440 1HG GLN 55 1HG GLN 55 -17.529 25.625 2.097 441 2HG GLN 55 2HG GLN 55 -17.728 27.065 3.096 442 2HE2 GLN 55 2HE2 GLN 55 -15.427 26.546 1.342 443 1HE2 GLN 55 1HE2 GLN 55 -14.057 26.450 2.341 No H/Q in entry = 443 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 -24.513 11.194 8.736 2 H2 LYS 1 H2 LYS 1 -23.023 11.935 8.411 3 H3 LYS 1 H3 LYS 1 -23.738 10.923 7.249 4 HA LYS 1 HA LYS 1 -23.379 8.986 8.576 5 1HB LYS 1 1HB LYS 1 -21.027 10.900 8.436 6 2HB LYS 1 2HB LYS 1 -20.877 9.158 8.666 7 1HG LYS 1 1HG LYS 1 -22.193 8.865 6.519 8 2HG LYS 1 2HG LYS 1 -22.036 10.604 6.269 9 1HD LYS 1 1HD LYS 1 -19.538 10.327 6.459 10 2HD LYS 1 2HD LYS 1 -19.788 8.581 6.491 11 1HE LYS 1 1HE LYS 1 -20.954 10.263 4.265 12 2HE LYS 1 2HE LYS 1 -19.286 9.663 4.184 13 1HZ LYS 1 1HZ LYS 1 -21.465 7.846 4.985 14 2HZ LYS 1 2HZ LYS 1 -21.227 8.171 3.338 15 3HZ LYS 1 3HZ LYS 1 -19.976 7.477 4.254 16 H ASN 2 H ASN 2 -21.537 11.560 10.251 17 HA ASN 2 HA ASN 2 -22.342 10.307 12.851 18 1HB ASN 2 1HB ASN 2 -19.960 11.930 11.919 19 2HB ASN 2 2HB ASN 2 -20.248 11.557 13.619 20 2HD2 ASN 2 2HD2 ASN 2 -18.806 10.370 10.762 21 1HD2 ASN 2 1HD2 ASN 2 -18.592 8.759 11.254 22 H GLU 3 H GLU 3 -23.108 11.682 14.527 23 HA GLU 3 HA GLU 3 -24.632 13.982 13.758 24 1HB GLU 3 1HB GLU 3 -23.690 12.740 16.340 25 2HB GLU 3 2HB GLU 3 -24.619 14.238 16.356 26 1HG GLU 3 1HG GLU 3 -25.472 11.591 15.145 27 2HG GLU 3 2HG GLU 3 -26.158 12.364 16.574 28 H ASP 4 H ASP 4 -21.313 13.590 14.791 29 HA ASP 4 HA ASP 4 -19.632 15.194 15.289 30 1HB ASP 4 1HB ASP 4 -20.500 15.295 12.752 31 2HB ASP 4 2HB ASP 4 -20.935 16.933 13.240 32 H GLN 5 H GLN 5 -21.674 15.480 17.158 33 HA GLN 5 HA GLN 5 -22.346 18.385 17.232 34 1HB GLN 5 1HB GLN 5 -23.998 16.439 17.572 35 2HB GLN 5 2HB GLN 5 -23.202 16.186 19.124 36 1HG GLN 5 1HG GLN 5 -23.716 18.503 19.779 37 2HG GLN 5 2HG GLN 5 -24.482 18.782 18.215 38 2HE2 GLN 5 2HE2 GLN 5 -25.574 18.619 21.136 39 1HE2 GLN 5 1HE2 GLN 5 -26.895 17.563 20.999 40 H GLU 6 H GLU 6 -20.245 19.200 17.859 41 HA GLU 6 HA GLU 6 -18.589 19.817 19.432 42 1HB GLU 6 1HB GLU 6 -20.686 18.701 21.324 43 2HB GLU 6 2HB GLU 6 -19.411 19.845 21.743 44 1HG GLU 6 1HG GLU 6 -20.362 21.487 20.166 45 2HG GLU 6 2HG GLU 6 -21.631 20.342 19.735 46 H MET 7 H MET 7 -18.193 17.299 18.221 47 HA MET 7 HA MET 7 -17.821 15.106 20.004 48 1HB MET 7 1HB MET 7 -16.355 15.943 17.481 49 2HB MET 7 2HB MET 7 -16.294 14.329 18.188 50 1HG MET 7 1HG MET 7 -18.830 15.722 17.276 51 2HG MET 7 2HG MET 7 -17.969 14.496 16.347 52 1HE MET 7 1HE MET 7 -20.301 15.566 18.616 53 2HE MET 7 2HE MET 7 -21.188 14.143 19.184 54 3HE MET 7 3HE MET 7 -19.864 14.800 20.142 55 H CYS 8 H CYS 8 -15.998 18.039 19.577 56 HA CYS 8 HA CYS 8 -13.888 16.957 21.418 57 1HB CYS 8 1HB CYS 8 -12.357 18.514 20.153 58 2HB CYS 8 2HB CYS 8 -13.017 17.210 19.165 59 H HIS 9 H HIS 9 -13.775 18.105 23.306 60 HA HIS 9 HA HIS 9 -14.944 20.870 23.350 61 1HB HIS 9 1HB HIS 9 -14.713 18.715 25.477 62 2HB HIS 9 2HB HIS 9 -15.391 20.320 25.750 63 HD1 HIS 9 HD1 HIS 9 -17.671 20.872 24.589 64 HD2 HIS 9 HD2 HIS 9 -16.393 16.942 24.041 65 HE1 HIS 9 HE1 HIS 9 -19.657 19.593 23.677 66 H GLU 10 H GLU 10 -12.135 18.919 23.941 67 HA GLU 10 HA GLU 10 -10.784 20.742 25.760 68 1HB GLU 10 1HB GLU 10 -10.029 18.391 24.021 69 2HB GLU 10 2HB GLU 10 -8.807 19.272 24.939 70 1HG GLU 10 1HG GLU 10 -9.970 18.812 27.024 71 2HG GLU 10 2HG GLU 10 -11.311 18.067 26.154 72 H PHE 11 H PHE 11 -10.538 20.090 22.245 73 HA PHE 11 HA PHE 11 -8.503 22.058 21.727 74 1HB PHE 11 1HB PHE 11 -10.627 20.689 20.076 75 2HB PHE 11 2HB PHE 11 -9.422 21.755 19.364 76 HD1 PHE 11 HD1 PHE 11 -6.922 21.258 19.991 77 HD2 PHE 11 HD2 PHE 11 -10.118 18.410 20.360 78 HE1 PHE 11 HE1 PHE 11 -5.274 19.404 19.963 79 HE2 PHE 11 HE2 PHE 11 -8.471 16.560 20.334 80 HZ PHE 11 HZ PHE 11 -6.051 17.058 20.136 81 H GLN 12 H GLN 12 -12.071 22.187 21.687 82 HA GLN 12 HA GLN 12 -12.544 24.643 20.458 83 1HB GLN 12 1HB GLN 12 -14.284 23.173 21.372 84 2HB GLN 12 2HB GLN 12 -13.729 23.504 23.013 85 1HG GLN 12 1HG GLN 12 -14.172 25.978 22.500 86 2HG GLN 12 2HG GLN 12 -15.034 25.418 21.067 87 2HE2 GLN 12 2HE2 GLN 12 -17.231 25.090 21.414 88 1HE2 GLN 12 1HE2 GLN 12 -17.940 24.706 22.907 89 H ALA 13 H ALA 13 -11.632 24.106 23.876 90 HA ALA 13 HA ALA 13 -11.516 26.808 24.708 91 1HB ALA 13 1HB ALA 13 -9.746 25.802 26.303 92 2HB ALA 13 2HB ALA 13 -10.010 24.288 25.436 93 3HB ALA 13 3HB ALA 13 -11.341 25.049 26.307 94 H PHE 14 H PHE 14 -9.468 25.031 22.531 95 HA PHE 14 HA PHE 14 -7.204 26.913 22.795 96 1HB PHE 14 1HB PHE 14 -7.769 24.604 20.907 97 2HB PHE 14 2HB PHE 14 -6.215 25.403 21.116 98 HD1 PHE 14 HD1 PHE 14 -7.139 25.708 24.279 99 HD2 PHE 14 HD2 PHE 14 -6.420 22.505 21.506 100 HE1 PHE 14 HE1 PHE 14 -6.611 24.189 26.167 101 HE2 PHE 14 HE2 PHE 14 -5.894 20.988 23.393 102 HZ PHE 14 HZ PHE 14 -5.988 21.830 25.725 103 H MET 15 H MET 15 -10.120 27.411 21.533 104 HA MET 15 HA MET 15 -9.297 28.334 18.846 105 1HB MET 15 1HB MET 15 -11.682 28.624 18.542 106 2HB MET 15 2HB MET 15 -11.429 27.088 19.361 107 1HG MET 15 1HG MET 15 -11.705 28.523 21.545 108 2HG MET 15 2HG MET 15 -12.496 29.670 20.465 109 1HE MET 15 1HE MET 15 -13.668 28.204 18.332 110 2HE MET 15 2HE MET 15 -15.235 27.536 18.781 111 3HE MET 15 3HE MET 15 -14.828 29.206 19.201 112 H LYS 16 H LYS 16 -8.119 30.242 19.030 113 HA LYS 16 HA LYS 16 -8.913 32.326 20.960 114 1HB LYS 16 1HB LYS 16 -6.558 31.800 20.551 115 2HB LYS 16 2HB LYS 16 -6.762 32.120 18.828 116 1HG LYS 16 1HG LYS 16 -7.728 34.433 20.000 117 2HG LYS 16 2HG LYS 16 -6.374 34.004 21.045 118 1HD LYS 16 1HD LYS 16 -6.157 34.069 18.026 119 2HD LYS 16 2HD LYS 16 -5.788 35.465 19.040 120 1HE LYS 16 1HE LYS 16 -4.134 34.032 20.296 121 2HE LYS 16 2HE LYS 16 -4.421 32.752 19.102 122 1HZ LYS 16 1HZ LYS 16 -4.065 34.738 17.450 123 2HZ LYS 16 2HZ LYS 16 -3.188 35.397 18.744 124 3HZ LYS 16 3HZ LYS 16 -2.731 33.899 18.085 125 H ASN 17 H ASN 17 -10.979 33.010 20.129 126 HA ASN 17 HA ASN 17 -12.395 34.327 18.774 127 1HB ASN 17 1HB ASN 17 -9.692 35.301 17.793 128 2HB ASN 17 2HB ASN 17 -11.221 36.166 17.633 129 2HD2 ASN 17 2HD2 ASN 17 -8.516 36.381 19.388 130 1HD2 ASN 17 1HD2 ASN 17 -9.137 36.854 20.895 131 H GLY 18 H GLY 18 -12.179 31.790 17.801 132 1HA GLY 18 1HA GLY 18 -12.420 32.219 14.906 133 2HA GLY 18 2HA GLY 18 -12.797 30.727 15.768 134 H LYS 19 H LYS 19 -9.811 31.763 16.822 135 HA LYS 19 HA LYS 19 -8.309 30.425 14.619 136 1HB LYS 19 1HB LYS 19 -7.829 32.756 15.702 137 2HB LYS 19 2HB LYS 19 -7.144 31.814 17.026 138 1HG LYS 19 1HG LYS 19 -6.344 31.346 14.149 139 2HG LYS 19 2HG LYS 19 -5.520 32.528 15.167 140 1HD LYS 19 1HD LYS 19 -5.042 30.740 16.823 141 2HD LYS 19 2HD LYS 19 -5.820 29.566 15.761 142 1HE LYS 19 1HE LYS 19 -3.693 31.252 14.524 143 2HE LYS 19 2HE LYS 19 -3.161 30.015 15.679 144 1HZ LYS 19 1HZ LYS 19 -4.826 28.524 14.446 145 2HZ LYS 19 2HZ LYS 19 -4.749 29.681 13.205 146 3HZ LYS 19 3HZ LYS 19 -3.348 28.849 13.682 147 H LEU 20 H LEU 20 -8.433 28.206 15.031 148 HA LEU 20 HA LEU 20 -8.104 27.182 17.787 149 1HB LEU 20 1HB LEU 20 -9.692 26.381 15.874 150 2HB LEU 20 2HB LEU 20 -8.258 25.575 15.239 151 HG LEU 20 HG LEU 20 -9.560 25.157 17.942 152 1HD1 LEU 20 1HD1 LEU 20 -9.657 23.831 15.373 153 2HD1 LEU 20 2HD1 LEU 20 -8.993 22.743 16.591 154 3HD1 LEU 20 3HD1 LEU 20 -10.577 23.477 16.836 155 1HD2 LEU 20 1HD2 LEU 20 -6.895 24.180 16.881 156 2HD2 LEU 20 2HD2 LEU 20 -7.165 25.183 18.305 157 3HD2 LEU 20 3HD2 LEU 20 -7.695 23.501 18.297 158 H PHE 21 H PHE 21 -5.936 27.350 18.418 159 HA PHE 21 HA PHE 21 -3.797 26.688 16.487 160 1HB PHE 21 1HB PHE 21 -2.388 27.171 18.626 161 2HB PHE 21 2HB PHE 21 -3.251 28.509 17.876 162 HD1 PHE 21 HD1 PHE 21 -3.290 26.096 20.695 163 HD2 PHE 21 HD2 PHE 21 -5.077 29.605 18.979 164 HE1 PHE 21 HE1 PHE 21 -4.494 26.520 22.817 165 HE2 PHE 21 HE2 PHE 21 -6.278 30.032 21.106 166 HZ PHE 21 HZ PHE 21 -5.987 28.490 23.025 167 H CYS 22 H CYS 22 -4.856 24.428 16.383 168 HA CYS 22 HA CYS 22 -4.916 22.494 18.359 169 1HB CYS 22 1HB CYS 22 -5.014 22.624 15.594 170 2HB CYS 22 2HB CYS 22 -3.623 21.579 15.891 171 HA PRO 23 HA PRO 23 -0.192 21.565 17.649 172 1HB PRO 23 1HB PRO 23 1.011 24.066 16.887 173 2HB PRO 23 2HB PRO 23 0.988 22.545 15.989 174 1HG PRO 23 1HG PRO 23 -0.472 24.953 15.421 175 2HG PRO 23 2HG PRO 23 -0.495 23.434 14.524 176 1HD PRO 23 1HD PRO 23 -2.567 24.540 16.182 177 2HD PRO 23 2HD PRO 23 -2.596 22.999 15.297 178 H GLN 24 H GLN 24 -0.960 21.780 19.961 179 HA GLN 24 HA GLN 24 0.115 24.198 21.357 180 1HB GLN 24 1HB GLN 24 -2.208 23.733 21.791 181 2HB GLN 24 2HB GLN 24 -1.878 22.021 22.047 182 1HG GLN 24 1HG GLN 24 -0.286 22.934 23.955 183 2HG GLN 24 2HG GLN 24 -1.332 24.347 23.859 184 2HE2 GLN 24 2HE2 GLN 24 -1.032 21.308 25.309 185 1HE2 GLN 24 1HE2 GLN 24 -2.648 21.095 25.784 186 H ASP 25 H ASP 25 -0.393 21.070 22.853 187 HA ASP 25 HA ASP 25 2.573 20.708 23.107 188 1HB ASP 25 1HB ASP 25 1.313 21.746 25.096 189 2HB ASP 25 2HB ASP 25 0.532 20.177 25.278 190 H LYS 26 H LYS 26 1.847 19.218 21.199 191 HA LYS 26 HA LYS 26 0.206 16.948 21.499 192 1HB LYS 26 1HB LYS 26 2.570 17.757 19.868 193 2HB LYS 26 2HB LYS 26 2.096 16.058 19.818 194 1HG LYS 26 1HG LYS 26 -0.146 16.640 19.114 195 2HG LYS 26 2HG LYS 26 0.173 18.358 19.356 196 1HD LYS 26 1HD LYS 26 2.207 17.701 17.662 197 2HD LYS 26 2HD LYS 26 0.953 16.588 17.114 198 1HE LYS 26 1HE LYS 26 -0.625 18.492 16.878 199 2HE LYS 26 2HE LYS 26 0.657 19.603 17.398 200 1HZ LYS 26 1HZ LYS 26 1.156 17.666 15.229 201 2HZ LYS 26 2HZ LYS 26 0.352 19.121 14.881 202 3HZ LYS 26 3HZ LYS 26 1.919 19.155 15.528 203 H LYS 27 H LYS 27 3.190 17.622 23.096 204 HA LYS 27 HA LYS 27 4.528 15.247 23.457 205 1HB LYS 27 1HB LYS 27 3.640 17.363 25.431 206 2HB LYS 27 2HB LYS 27 4.785 16.096 25.862 207 1HG LYS 27 1HG LYS 27 5.194 17.850 23.438 208 2HG LYS 27 2HG LYS 27 5.781 18.318 25.033 209 1HD LYS 27 1HD LYS 27 7.076 16.225 25.180 210 2HD LYS 27 2HD LYS 27 6.476 15.739 23.594 211 1HE LYS 27 1HE LYS 27 8.616 16.705 23.153 212 2HE LYS 27 2HE LYS 27 7.469 18.000 22.761 213 1HZ LYS 27 1HZ LYS 27 8.431 17.679 25.528 214 2HZ LYS 27 2HZ LYS 27 9.419 18.469 24.400 215 3HZ LYS 27 3HZ LYS 27 7.872 19.079 24.745 216 H PHE 28 H PHE 28 1.266 15.981 24.554 217 HA PHE 28 HA PHE 28 0.859 14.020 26.535 218 1HB PHE 28 1HB PHE 28 -0.999 14.937 24.314 219 2HB PHE 28 2HB PHE 28 -1.501 14.225 25.845 220 HD1 PHE 28 HD1 PHE 28 0.019 15.457 27.896 221 HD2 PHE 28 HD2 PHE 28 -1.433 17.226 24.262 222 HE1 PHE 28 HE1 PHE 28 0.083 17.697 28.959 223 HE2 PHE 28 HE2 PHE 28 -1.369 19.466 25.323 224 HZ PHE 28 HZ PHE 28 -0.611 19.701 27.672 225 H PHE 29 H PHE 29 1.475 13.620 23.150 226 HA PHE 29 HA PHE 29 0.190 11.246 22.436 227 1HB PHE 29 1HB PHE 29 1.730 12.717 21.080 228 2HB PHE 29 2HB PHE 29 3.091 11.965 21.913 229 HD1 PHE 29 HD1 PHE 29 3.278 9.393 21.817 230 HD2 PHE 29 HD2 PHE 29 0.772 11.687 19.190 231 HE1 PHE 29 HE1 PHE 29 3.202 7.490 20.228 232 HE2 PHE 29 HE2 PHE 29 0.696 9.784 17.600 233 HZ PHE 29 HZ PHE 29 1.912 7.686 18.119 234 H GLN 30 H GLN 30 2.669 11.698 24.837 235 HA GLN 30 HA GLN 30 3.696 9.002 24.909 236 1HB GLN 30 1HB GLN 30 3.608 11.364 26.790 237 2HB GLN 30 2HB GLN 30 4.393 9.852 27.247 238 1HG GLN 30 1HG GLN 30 5.585 10.107 24.912 239 2HG GLN 30 2HG GLN 30 5.147 11.805 25.095 240 2HE2 GLN 30 2HE2 GLN 30 6.811 12.976 26.046 241 1HE2 GLN 30 1HE2 GLN 30 7.871 12.385 27.233 242 H SER 31 H SER 31 0.615 10.117 25.613 243 HA SER 31 HA SER 31 0.129 7.785 27.426 244 1HB SER 31 1HB SER 31 -0.826 10.651 27.701 245 2HB SER 31 2HB SER 31 -1.416 9.317 28.692 246 HG SER 31 HG SER 31 1.301 10.086 28.453 247 H LEU 32 H LEU 32 -1.945 6.817 27.145 248 HA LEU 32 HA LEU 32 -3.112 6.780 24.594 249 1HB LEU 32 1HB LEU 32 -3.376 5.313 26.761 250 2HB LEU 32 2HB LEU 32 -4.736 6.387 27.090 251 HG LEU 32 HG LEU 32 -5.396 4.321 25.832 252 1HD1 LEU 32 1HD1 LEU 32 -6.291 6.864 25.526 253 2HD1 LEU 32 2HD1 LEU 32 -5.813 6.506 23.866 254 3HD1 LEU 32 3HD1 LEU 32 -6.997 5.484 24.683 255 1HD2 LEU 32 1HD2 LEU 32 -3.084 4.629 24.475 256 2HD2 LEU 32 2HD2 LEU 32 -4.462 3.748 23.815 257 3HD2 LEU 32 3HD2 LEU 32 -4.184 5.426 23.351 258 H ASP 33 H ASP 33 -4.164 8.643 27.449 259 HA ASP 33 HA ASP 33 -6.421 9.915 26.299 260 1HB ASP 33 1HB ASP 33 -4.388 10.709 28.400 261 2HB ASP 33 2HB ASP 33 -5.810 11.693 28.055 262 H GLY 34 H GLY 34 -2.984 10.825 26.284 263 1HA GLY 34 1HA GLY 34 -1.843 12.435 24.999 264 2HA GLY 34 2HA GLY 34 -3.379 13.281 24.819 265 H ILE 35 H ILE 35 -2.457 9.977 23.888 266 HA ILE 35 HA ILE 35 -2.132 10.378 21.107 267 HB ILE 35 HB ILE 35 -2.996 8.121 22.901 268 1HG1 ILE 35 1HG1 ILE 35 -0.601 8.870 22.659 269 2HG1 ILE 35 2HG1 ILE 35 -0.872 7.183 22.217 270 1HG2 ILE 35 1HG2 ILE 35 -3.383 8.303 19.969 271 2HG2 ILE 35 2HG2 ILE 35 -2.578 6.840 20.533 272 3HG2 ILE 35 3HG2 ILE 35 -4.178 7.258 21.145 273 1HD1 ILE 35 1HD1 ILE 35 -1.191 9.171 20.032 274 2HD1 ILE 35 2HD1 ILE 35 0.454 8.931 20.626 275 3HD1 ILE 35 3HD1 ILE 35 -0.464 7.564 19.994 276 H MET 36 H MET 36 -5.058 9.925 23.057 277 HA MET 36 HA MET 36 -6.893 9.725 20.829 278 1HB MET 36 1HB MET 36 -6.922 9.986 23.756 279 2HB MET 36 2HB MET 36 -8.288 10.778 22.966 280 1HG MET 36 1HG MET 36 -8.646 8.636 21.659 281 2HG MET 36 2HG MET 36 -7.439 7.880 22.697 282 1HE MET 36 1HE MET 36 -9.823 6.784 22.154 283 2HE MET 36 2HE MET 36 -10.586 6.284 23.661 284 3HE MET 36 3HE MET 36 -11.333 7.543 22.680 285 H PHE 37 H PHE 37 -6.528 12.435 23.162 286 HA PHE 37 HA PHE 37 -7.925 14.378 21.721 287 1HB PHE 37 1HB PHE 37 -7.265 15.495 23.573 288 2HB PHE 37 2HB PHE 37 -6.146 14.187 23.949 289 HD1 PHE 37 HD1 PHE 37 -3.781 14.333 23.328 290 HD2 PHE 37 HD2 PHE 37 -6.512 17.524 22.448 291 HE1 PHE 37 HE1 PHE 37 -1.870 15.835 22.852 292 HE2 PHE 37 HE2 PHE 37 -4.599 19.029 21.973 293 HZ PHE 37 HZ PHE 37 -2.278 18.180 22.171 294 H ILE 38 H ILE 38 -4.407 13.675 21.495 295 HA ILE 38 HA ILE 38 -3.679 15.484 19.491 296 HB ILE 38 HB ILE 38 -2.892 12.621 20.078 297 1HG1 ILE 38 1HG1 ILE 38 -1.692 15.345 20.634 298 2HG1 ILE 38 2HG1 ILE 38 -2.266 14.165 21.811 299 1HG2 ILE 38 1HG2 ILE 38 -2.430 13.094 17.697 300 2HG2 ILE 38 2HG2 ILE 38 -1.573 14.565 18.157 301 3HG2 ILE 38 3HG2 ILE 38 -0.932 12.989 18.622 302 1HD1 ILE 38 1HD1 ILE 38 -0.334 12.888 20.127 303 2HD1 ILE 38 2HD1 ILE 38 0.351 14.406 20.707 304 3HD1 ILE 38 3HD1 ILE 38 -0.235 13.204 21.858 305 H ASN 39 H ASN 39 -5.362 12.379 19.186 306 HA ASN 39 HA ASN 39 -5.414 12.387 16.277 307 1HB ASN 39 1HB ASN 39 -7.009 10.956 18.427 308 2HB ASN 39 2HB ASN 39 -7.123 10.577 16.711 309 2HD2 ASN 39 2HD2 ASN 39 -3.933 11.523 17.287 310 1HD2 ASN 39 1HD2 ASN 39 -3.255 9.990 17.539 311 H LYS 40 H LYS 40 -7.467 13.624 18.855 312 HA LYS 40 HA LYS 40 -9.733 14.264 17.124 313 1HB LYS 40 1HB LYS 40 -8.844 14.774 19.950 314 2HB LYS 40 2HB LYS 40 -10.202 15.694 19.301 315 1HG LYS 40 1HG LYS 40 -11.519 13.778 19.006 316 2HG LYS 40 2HG LYS 40 -10.123 12.701 18.996 317 1HD LYS 40 1HD LYS 40 -9.850 13.739 21.470 318 2HD LYS 40 2HD LYS 40 -11.601 13.871 21.300 319 1HE LYS 40 1HE LYS 40 -11.360 11.368 20.410 320 2HE LYS 40 2HE LYS 40 -9.887 11.414 21.399 321 1HZ LYS 40 1HZ LYS 40 -11.336 12.463 23.167 322 2HZ LYS 40 2HZ LYS 40 -12.676 11.993 22.238 323 3HZ LYS 40 3HZ LYS 40 -11.623 10.816 22.865 324 H CYS 41 H CYS 41 -6.834 15.887 18.287 325 HA CYS 41 HA CYS 41 -7.246 18.583 17.917 326 1HB CYS 41 1HB CYS 41 -5.094 17.791 18.511 327 2HB CYS 41 2HB CYS 41 -5.014 16.708 17.130 328 H ALA 42 H ALA 42 -5.862 16.719 15.231 329 HA ALA 42 HA ALA 42 -6.514 18.531 13.169 330 1HB ALA 42 1HB ALA 42 -6.450 15.516 12.911 331 2HB ALA 42 2HB ALA 42 -5.928 16.711 11.725 332 3HB ALA 42 3HB ALA 42 -4.994 16.467 13.200 333 H THR 43 H THR 43 -8.484 15.987 14.635 334 HA THR 43 HA THR 43 -10.587 15.997 12.660 335 HB THR 43 HB THR 43 -10.703 15.324 15.616 336 HG1 THR 43 HG1 THR 43 -9.994 13.659 13.436 337 1HG2 THR 43 1HG2 THR 43 -12.795 15.419 14.024 338 2HG2 THR 43 2HG2 THR 43 -12.151 13.894 13.412 339 3HG2 THR 43 3HG2 THR 43 -12.585 14.048 15.114 340 H CYS 44 H CYS 44 -10.539 17.381 15.972 341 HA CYS 44 HA CYS 44 -12.934 18.818 15.902 342 1HB CYS 44 1HB CYS 44 -11.188 18.476 17.758 343 2HB CYS 44 2HB CYS 44 -10.345 19.864 17.069 344 H LYS 45 H LYS 45 -9.780 19.738 14.550 345 HA LYS 45 HA LYS 45 -10.320 22.436 13.881 346 1HB LYS 45 1HB LYS 45 -8.118 21.409 13.762 347 2HB LYS 45 2HB LYS 45 -8.672 20.282 12.524 348 1HG LYS 45 1HG LYS 45 -9.337 22.581 11.306 349 2HG LYS 45 2HG LYS 45 -8.001 23.177 12.292 350 1HD LYS 45 1HD LYS 45 -6.578 21.326 11.397 351 2HD LYS 45 2HD LYS 45 -7.908 20.860 10.336 352 1HE LYS 45 1HE LYS 45 -7.809 22.967 9.159 353 2HE LYS 45 2HE LYS 45 -6.682 23.641 10.352 354 1HZ LYS 45 1HZ LYS 45 -5.371 21.454 9.737 355 2HZ LYS 45 2HZ LYS 45 -6.216 21.623 8.272 356 3HZ LYS 45 3HZ LYS 45 -5.195 22.867 8.816 357 H MET 46 H MET 46 -10.863 19.480 11.921 358 HA MET 46 HA MET 46 -11.980 20.863 9.661 359 1HB MET 46 1HB MET 46 -12.558 18.630 8.942 360 2HB MET 46 2HB MET 46 -11.015 18.527 9.785 361 1HG MET 46 1HG MET 46 -11.884 17.107 11.296 362 2HG MET 46 2HG MET 46 -13.176 18.242 11.672 363 1HE MET 46 1HE MET 46 -11.878 15.348 10.338 364 2HE MET 46 2HE MET 46 -13.238 14.353 9.825 365 3HE MET 46 3HE MET 46 -12.387 15.344 8.644 366 H ILE 47 H ILE 47 -13.319 19.840 12.724 367 HA ILE 47 HA ILE 47 -16.098 19.767 12.031 368 HB ILE 47 HB ILE 47 -14.718 20.595 14.608 369 1HG1 ILE 47 1HG1 ILE 47 -13.856 18.455 14.023 370 2HG1 ILE 47 2HG1 ILE 47 -15.162 18.127 15.162 371 1HG2 ILE 47 1HG2 ILE 47 -17.527 20.005 13.838 372 2HG2 ILE 47 2HG2 ILE 47 -16.970 19.298 15.356 373 3HG2 ILE 47 3HG2 ILE 47 -16.905 21.045 15.121 374 1HD1 ILE 47 1HD1 ILE 47 -15.412 18.033 12.138 375 2HD1 ILE 47 2HD1 ILE 47 -15.274 16.627 13.192 376 3HD1 ILE 47 3HD1 ILE 47 -16.694 17.667 13.292 377 H LEU 48 H LEU 48 -13.918 22.400 12.962 378 HA LEU 48 HA LEU 48 -15.927 24.455 13.175 379 1HB LEU 48 1HB LEU 48 -12.965 24.549 12.512 380 2HB LEU 48 2HB LEU 48 -13.931 25.919 13.066 381 HG LEU 48 HG LEU 48 -14.344 23.694 14.839 382 1HD1 LEU 48 1HD1 LEU 48 -12.115 22.957 14.008 383 2HD1 LEU 48 2HD1 LEU 48 -11.448 24.523 14.474 384 3HD1 LEU 48 3HD1 LEU 48 -12.071 23.427 15.709 385 1HD2 LEU 48 1HD2 LEU 48 -14.518 26.261 15.139 386 2HD2 LEU 48 2HD2 LEU 48 -13.875 25.319 16.486 387 3HD2 LEU 48 3HD2 LEU 48 -12.778 26.203 15.424 388 H GLU 49 H GLU 49 -13.930 23.222 10.501 389 HA GLU 49 HA GLU 49 -14.318 25.137 8.516 390 1HB GLU 49 1HB GLU 49 -14.521 22.109 8.354 391 2HB GLU 49 2HB GLU 49 -14.247 23.167 6.970 392 1HG GLU 49 1HG GLU 49 -12.189 24.032 8.089 393 2HG GLU 49 2HG GLU 49 -12.443 22.869 9.390 394 H LYS 50 H LYS 50 -16.675 23.015 9.987 395 HA LYS 50 HA LYS 50 -18.746 23.404 7.963 396 1HB LYS 50 1HB LYS 50 -18.936 22.468 10.846 397 2HB LYS 50 2HB LYS 50 -20.080 22.126 9.548 398 1HG LYS 50 1HG LYS 50 -17.229 21.353 9.102 399 2HG LYS 50 2HG LYS 50 -18.165 20.380 10.237 400 1HD LYS 50 1HD LYS 50 -19.979 20.380 8.355 401 2HD LYS 50 2HD LYS 50 -18.643 20.839 7.299 402 1HE LYS 50 1HE LYS 50 -17.401 18.831 7.914 403 2HE LYS 50 2HE LYS 50 -18.632 18.401 9.117 404 1HZ LYS 50 1HZ LYS 50 -19.590 18.996 6.432 405 2HZ LYS 50 2HZ LYS 50 -18.713 17.551 6.595 406 3HZ LYS 50 3HZ LYS 50 -20.110 17.809 7.526 407 H GLU 51 H GLU 51 -17.786 24.942 11.003 408 HA GLU 51 HA GLU 51 -20.150 26.425 11.557 409 1HB GLU 51 1HB GLU 51 -17.205 27.019 11.976 410 2HB GLU 51 2HB GLU 51 -18.511 27.912 12.754 411 1HG GLU 51 1HG GLU 51 -18.073 24.919 12.993 412 2HG GLU 51 2HG GLU 51 -17.609 26.106 14.213 413 H ALA 52 H ALA 52 -17.663 26.880 9.130 414 HA ALA 52 HA ALA 52 -18.354 29.665 8.552 415 1HB ALA 52 1HB ALA 52 -16.191 28.076 8.164 416 2HB ALA 52 2HB ALA 52 -16.492 29.530 7.212 417 3HB ALA 52 3HB ALA 52 -16.945 27.950 6.575 418 H LYS 53 H LYS 53 -19.443 26.511 7.517 419 HA LYS 53 HA LYS 53 -20.637 27.356 5.006 420 1HB LYS 53 1HB LYS 53 -20.909 24.975 6.855 421 2HB LYS 53 2HB LYS 53 -21.800 25.093 5.337 422 1HG LYS 53 1HG LYS 53 -18.807 25.472 5.429 423 2HG LYS 53 2HG LYS 53 -19.521 23.866 5.294 424 1HD LYS 53 1HD LYS 53 -20.805 24.668 3.294 425 2HD LYS 53 2HD LYS 53 -19.930 26.195 3.394 426 1HE LYS 53 1HE LYS 53 -17.781 24.955 3.148 427 2HE LYS 53 2HE LYS 53 -18.697 23.446 2.971 428 1HZ LYS 53 1HZ LYS 53 -19.090 25.876 1.298 429 2HZ LYS 53 2HZ LYS 53 -18.187 24.519 0.816 430 3HZ LYS 53 3HZ LYS 53 -19.857 24.376 1.094 431 H SER 54 H SER 54 -21.743 27.118 8.361 432 HA SER 54 HA SER 54 -24.558 27.539 7.752 433 1HB SER 54 1HB SER 54 -23.711 26.393 9.770 434 2HB SER 54 2HB SER 54 -22.919 27.882 10.287 435 HG SER 54 HG SER 54 -24.774 28.124 11.276 436 H GLN 55 H GLN 55 -21.825 29.598 7.846 437 HA GLN 55 HA GLN 55 -23.625 31.992 7.874 438 1HB GLN 55 1HB GLN 55 -21.044 31.483 9.377 439 2HB GLN 55 2HB GLN 55 -21.733 33.095 9.183 440 1HG GLN 55 1HG GLN 55 -23.092 30.714 10.485 441 2HG GLN 55 2HG GLN 55 -22.460 32.135 11.318 442 2HE2 GLN 55 2HE2 GLN 55 -25.259 31.349 11.405 443 1HE2 GLN 55 1HE2 GLN 55 -26.157 32.570 10.638 No H/Q in entry = 443 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 -19.091 13.244 31.253 2 H2 LYS 1 H2 LYS 1 -20.589 13.743 31.873 3 H3 LYS 1 H3 LYS 1 -19.912 12.269 32.378 4 HA LYS 1 HA LYS 1 -20.563 11.154 30.527 5 1HB LYS 1 1HB LYS 1 -22.342 13.610 30.671 6 2HB LYS 1 2HB LYS 1 -22.773 12.117 29.836 7 1HG LYS 1 1HG LYS 1 -22.553 10.868 31.955 8 2HG LYS 1 2HG LYS 1 -22.117 12.360 32.790 9 1HD LYS 1 1HD LYS 1 -24.307 13.335 32.177 10 2HD LYS 1 2HD LYS 1 -24.742 11.834 31.360 11 1HE LYS 1 1HE LYS 1 -24.373 10.637 33.573 12 2HE LYS 1 2HE LYS 1 -24.240 12.239 34.326 13 1HZ LYS 1 1HZ LYS 1 -26.509 11.327 32.628 14 2HZ LYS 1 2HZ LYS 1 -26.542 11.404 34.325 15 3HZ LYS 1 3HZ LYS 1 -26.386 12.826 33.409 16 H ASN 2 H ASN 2 -21.418 11.517 28.105 17 HA ASN 2 HA ASN 2 -19.308 13.109 26.742 18 1HB ASN 2 1HB ASN 2 -21.303 11.018 25.810 19 2HB ASN 2 2HB ASN 2 -20.050 11.731 24.794 20 2HD2 ASN 2 2HD2 ASN 2 -20.557 8.906 26.199 21 1HD2 ASN 2 1HD2 ASN 2 -19.014 8.531 26.798 22 H GLU 3 H GLU 3 -19.824 14.810 25.330 23 HA GLU 3 HA GLU 3 -22.140 16.368 25.737 24 1HB GLU 3 1HB GLU 3 -21.404 17.331 23.457 25 2HB GLU 3 2HB GLU 3 -20.201 17.328 24.746 26 1HG GLU 3 1HG GLU 3 -20.177 14.813 23.291 27 2HG GLU 3 2HG GLU 3 -19.928 16.177 22.202 28 H ASP 4 H ASP 4 -21.614 13.631 23.598 29 HA ASP 4 HA ASP 4 -23.111 12.462 22.187 30 1HB ASP 4 1HB ASP 4 -24.773 13.816 24.291 31 2HB ASP 4 2HB ASP 4 -25.583 12.946 22.988 32 H GLN 5 H GLN 5 -22.181 15.133 21.339 33 HA GLN 5 HA GLN 5 -23.949 15.563 19.107 34 1HB GLN 5 1HB GLN 5 -24.950 17.674 19.838 35 2HB GLN 5 2HB GLN 5 -25.328 16.415 21.014 36 1HG GLN 5 1HG GLN 5 -23.534 17.181 22.475 37 2HG GLN 5 2HG GLN 5 -23.013 18.359 21.271 38 2HE2 GLN 5 2HE2 GLN 5 -23.772 20.426 21.719 39 1HE2 GLN 5 1HE2 GLN 5 -25.235 20.783 22.504 40 H GLU 6 H GLU 6 -21.481 16.866 21.271 41 HA GLU 6 HA GLU 6 -20.263 18.307 18.938 42 1HB GLU 6 1HB GLU 6 -20.487 18.825 21.887 43 2HB GLU 6 2HB GLU 6 -19.118 19.502 21.005 44 1HG GLU 6 1HG GLU 6 -20.750 20.491 19.366 45 2HG GLU 6 2HG GLU 6 -22.060 19.938 20.410 46 H MET 7 H MET 7 -19.042 16.431 18.240 47 HA MET 7 HA MET 7 -17.534 14.612 19.661 48 1HB MET 7 1HB MET 7 -16.834 16.203 17.175 49 2HB MET 7 2HB MET 7 -15.959 14.759 17.686 50 1HG MET 7 1HG MET 7 -18.917 14.915 17.027 51 2HG MET 7 2HG MET 7 -17.671 14.159 16.034 52 1HE MET 7 1HE MET 7 -19.825 14.390 18.760 53 2HE MET 7 2HE MET 7 -20.307 12.710 19.036 54 3HE MET 7 3HE MET 7 -19.119 13.474 20.090 55 H CYS 8 H CYS 8 -16.420 17.898 18.756 56 HA CYS 8 HA CYS 8 -13.968 17.655 20.329 57 1HB CYS 8 1HB CYS 8 -14.131 18.982 18.267 58 2HB CYS 8 2HB CYS 8 -15.382 19.989 18.996 59 H HIS 9 H HIS 9 -13.543 18.707 22.328 60 HA HIS 9 HA HIS 9 -15.602 20.336 23.643 61 1HB HIS 9 1HB HIS 9 -16.537 18.131 23.964 62 2HB HIS 9 2HB HIS 9 -14.974 17.487 24.466 63 HD1 HIS 9 HD1 HIS 9 -17.794 19.686 25.655 64 HD2 HIS 9 HD2 HIS 9 -14.263 18.049 27.151 65 HE1 HIS 9 HE1 HIS 9 -17.826 20.076 28.157 66 H GLU 10 H GLU 10 -12.585 18.473 23.929 67 HA GLU 10 HA GLU 10 -11.672 20.056 26.239 68 1HB GLU 10 1HB GLU 10 -9.816 18.525 26.180 69 2HB GLU 10 2HB GLU 10 -11.254 17.584 25.784 70 1HG GLU 10 1HG GLU 10 -10.744 17.813 23.380 71 2HG GLU 10 2HG GLU 10 -9.310 18.762 23.773 72 H PHE 11 H PHE 11 -11.302 20.070 22.751 73 HA PHE 11 HA PHE 11 -8.947 21.829 22.775 74 1HB PHE 11 1HB PHE 11 -10.854 20.759 20.685 75 2HB PHE 11 2HB PHE 11 -9.523 21.839 20.282 76 HD1 PHE 11 HD1 PHE 11 -7.194 21.118 20.505 77 HD2 PHE 11 HD2 PHE 11 -10.440 18.469 21.449 78 HE1 PHE 11 HE1 PHE 11 -5.630 19.197 20.493 79 HE2 PHE 11 HE2 PHE 11 -8.876 16.548 21.431 80 HZ PHE 11 HZ PHE 11 -6.472 16.916 20.955 81 H GLN 12 H GLN 12 -12.393 22.193 22.902 82 HA GLN 12 HA GLN 12 -12.976 24.573 21.610 83 1HB GLN 12 1HB GLN 12 -14.451 23.107 23.058 84 2HB GLN 12 2HB GLN 12 -13.748 23.903 24.467 85 1HG GLN 12 1HG GLN 12 -14.723 25.967 23.948 86 2HG GLN 12 2HG GLN 12 -14.914 25.559 22.243 87 2HE2 GLN 12 2HE2 GLN 12 -17.171 25.619 21.951 88 1HE2 GLN 12 1HE2 GLN 12 -18.279 24.740 22.891 89 H ALA 13 H ALA 13 -11.430 24.251 24.820 90 HA ALA 13 HA ALA 13 -11.143 27.028 25.382 91 1HB ALA 13 1HB ALA 13 -10.003 26.209 27.201 92 2HB ALA 13 2HB ALA 13 -8.999 25.145 26.215 93 3HB ALA 13 3HB ALA 13 -10.645 24.666 26.634 94 H PHE 14 H PHE 14 -9.480 24.974 23.122 95 HA PHE 14 HA PHE 14 -7.130 26.745 22.905 96 1HB PHE 14 1HB PHE 14 -8.061 24.323 21.330 97 2HB PHE 14 2HB PHE 14 -6.455 25.044 21.252 98 HD1 PHE 14 HD1 PHE 14 -6.687 25.722 24.402 99 HD2 PHE 14 HD2 PHE 14 -6.974 22.170 22.008 100 HE1 PHE 14 HE1 PHE 14 -5.983 24.353 26.346 101 HE2 PHE 14 HE2 PHE 14 -6.271 20.801 23.948 102 HZ PHE 14 HZ PHE 14 -5.774 21.893 26.120 103 H MET 15 H MET 15 -10.134 27.369 22.057 104 HA MET 15 HA MET 15 -9.810 27.924 19.187 105 1HB MET 15 1HB MET 15 -11.957 28.456 21.257 106 2HB MET 15 2HB MET 15 -12.128 28.859 19.548 107 1HG MET 15 1HG MET 15 -11.662 26.471 18.989 108 2HG MET 15 2HG MET 15 -11.635 26.108 20.710 109 1HE MET 15 1HE MET 15 -13.671 27.316 22.233 110 2HE MET 15 2HE MET 15 -13.817 28.690 21.139 111 3HE MET 15 3HE MET 15 -15.244 27.738 21.543 112 H LYS 16 H LYS 16 -9.031 29.813 18.406 113 HA LYS 16 HA LYS 16 -8.760 32.133 20.287 114 1HB LYS 16 1HB LYS 16 -6.656 31.187 19.488 115 2HB LYS 16 2HB LYS 16 -7.216 31.277 17.818 116 1HG LYS 16 1HG LYS 16 -5.706 33.165 18.388 117 2HG LYS 16 2HG LYS 16 -7.324 33.726 17.967 118 1HD LYS 16 1HD LYS 16 -6.583 34.899 19.968 119 2HD LYS 16 2HD LYS 16 -7.880 33.788 20.409 120 1HE LYS 16 1HE LYS 16 -6.212 32.132 21.180 121 2HE LYS 16 2HE LYS 16 -4.904 33.242 20.727 122 1HZ LYS 16 1HZ LYS 16 -7.128 34.138 22.456 123 2HZ LYS 16 2HZ LYS 16 -5.797 33.326 23.129 124 3HZ LYS 16 3HZ LYS 16 -5.567 34.792 22.307 125 H ASN 17 H ASN 17 -10.697 33.260 19.860 126 HA ASN 17 HA ASN 17 -12.229 34.571 18.626 127 1HB ASN 17 1HB ASN 17 -9.708 34.812 16.950 128 2HB ASN 17 2HB ASN 17 -11.096 35.896 16.843 129 2HD2 ASN 17 2HD2 ASN 17 -8.102 36.003 18.009 130 1HD2 ASN 17 1HD2 ASN 17 -8.332 36.856 19.457 131 H GLY 18 H GLY 18 -12.655 31.915 18.139 132 1HA GLY 18 1HA GLY 18 -13.720 31.944 15.433 133 2HA GLY 18 2HA GLY 18 -13.841 30.606 16.575 134 H LYS 19 H LYS 19 -10.763 30.925 16.879 135 HA LYS 19 HA LYS 19 -10.078 29.361 14.412 136 1HB LYS 19 1HB LYS 19 -9.249 31.790 14.632 137 2HB LYS 19 2HB LYS 19 -8.219 31.194 15.933 138 1HG LYS 19 1HG LYS 19 -8.224 29.742 13.306 139 2HG LYS 19 2HG LYS 19 -7.327 31.255 13.438 140 1HD LYS 19 1HD LYS 19 -6.997 28.944 15.373 141 2HD LYS 19 2HD LYS 19 -5.971 29.182 13.961 142 1HE LYS 19 1HE LYS 19 -6.370 31.384 16.001 143 2HE LYS 19 2HE LYS 19 -5.098 30.161 16.180 144 1HZ LYS 19 1HZ LYS 19 -5.403 31.326 13.530 145 2HZ LYS 19 2HZ LYS 19 -4.798 32.375 14.722 146 3HZ LYS 19 3HZ LYS 19 -3.990 30.921 14.375 147 H LEU 20 H LEU 20 -10.118 27.303 15.388 148 HA LEU 20 HA LEU 20 -8.880 26.830 18.005 149 1HB LEU 20 1HB LEU 20 -10.814 25.556 17.429 150 2HB LEU 20 2HB LEU 20 -10.171 25.162 15.838 151 HG LEU 20 HG LEU 20 -10.089 23.337 17.690 152 1HD1 LEU 20 1HD1 LEU 20 -8.670 23.743 15.412 153 2HD1 LEU 20 2HD1 LEU 20 -7.361 23.690 16.592 154 3HD1 LEU 20 3HD1 LEU 20 -8.468 22.326 16.443 155 1HD2 LEU 20 1HD2 LEU 20 -8.999 25.116 19.274 156 2HD2 LEU 20 2HD2 LEU 20 -8.403 23.456 19.308 157 3HD2 LEU 20 3HD2 LEU 20 -7.508 24.695 18.428 158 H PHE 21 H PHE 21 -6.670 26.735 18.154 159 HA PHE 21 HA PHE 21 -5.094 25.919 15.770 160 1HB PHE 21 1HB PHE 21 -3.184 26.622 17.386 161 2HB PHE 21 2HB PHE 21 -4.251 27.880 16.776 162 HD1 PHE 21 HD1 PHE 21 -3.387 25.814 19.722 163 HD2 PHE 21 HD2 PHE 21 -5.810 29.031 18.223 164 HE1 PHE 21 HE1 PHE 21 -3.979 26.449 22.042 165 HE2 PHE 21 HE2 PHE 21 -6.401 29.665 20.547 166 HZ PHE 21 HZ PHE 21 -5.486 28.375 22.456 167 H CYS 22 H CYS 22 -5.651 23.652 15.848 168 HA CYS 22 HA CYS 22 -5.384 21.938 18.083 169 1HB CYS 22 1HB CYS 22 -6.490 21.124 16.180 170 2HB CYS 22 2HB CYS 22 -5.203 21.623 15.092 171 HA PRO 23 HA PRO 23 -0.809 21.182 16.641 172 1HB PRO 23 1HB PRO 23 0.125 23.646 15.490 173 2HB PRO 23 2HB PRO 23 -0.003 22.063 14.718 174 1HG PRO 23 1HG PRO 23 -1.598 24.374 14.212 175 2HG PRO 23 2HG PRO 23 -1.791 22.763 13.516 176 1HD PRO 23 1HD PRO 23 -3.440 24.087 15.519 177 2HD PRO 23 2HD PRO 23 -3.726 22.540 14.692 178 H GLN 24 H GLN 24 -1.016 21.546 19.046 179 HA GLN 24 HA GLN 24 0.452 24.026 19.871 180 1HB GLN 24 1HB GLN 24 -1.006 23.814 21.980 181 2HB GLN 24 2HB GLN 24 -1.826 24.341 20.512 182 1HG GLN 24 1HG GLN 24 -2.856 22.255 20.191 183 2HG GLN 24 2HG GLN 24 -1.691 21.415 21.214 184 2HE2 GLN 24 2HE2 GLN 24 -1.901 21.729 23.587 185 1HE2 GLN 24 1HE2 GLN 24 -3.376 22.243 24.253 186 H ASP 25 H ASP 25 -0.423 22.012 22.467 187 HA ASP 25 HA ASP 25 2.363 21.052 22.704 188 1HB ASP 25 1HB ASP 25 -0.061 21.381 24.432 189 2HB ASP 25 2HB ASP 25 1.167 20.222 24.941 190 H LYS 26 H LYS 26 1.722 19.599 20.688 191 HA LYS 26 HA LYS 26 -0.021 17.352 21.030 192 1HB LYS 26 1HB LYS 26 2.235 18.165 19.236 193 2HB LYS 26 2HB LYS 26 1.658 16.500 19.157 194 1HG LYS 26 1HG LYS 26 -0.597 17.239 18.671 195 2HG LYS 26 2HG LYS 26 -0.152 18.924 18.945 196 1HD LYS 26 1HD LYS 26 0.830 17.113 16.721 197 2HD LYS 26 2HD LYS 26 -0.184 18.545 16.554 198 1HE LYS 26 1HE LYS 26 1.779 19.660 16.195 199 2HE LYS 26 2HE LYS 26 2.029 19.503 17.944 200 1HZ LYS 26 1HZ LYS 26 2.769 17.433 15.938 201 2HZ LYS 26 2HZ LYS 26 3.865 18.539 16.610 202 3HZ LYS 26 3HZ LYS 26 3.100 17.393 17.604 203 H LYS 27 H LYS 27 2.891 18.019 22.620 204 HA LYS 27 HA LYS 27 4.390 15.697 22.733 205 1HB LYS 27 1HB LYS 27 3.415 17.517 24.954 206 2HB LYS 27 2HB LYS 27 4.730 16.358 25.145 207 1HG LYS 27 1HG LYS 27 4.693 18.523 23.025 208 2HG LYS 27 2HG LYS 27 5.497 18.695 24.585 209 1HD LYS 27 1HD LYS 27 6.934 16.780 24.097 210 2HD LYS 27 2HD LYS 27 6.080 16.494 22.580 211 1HE LYS 27 1HE LYS 27 6.751 18.935 21.981 212 2HE LYS 27 2HE LYS 27 7.932 18.772 23.296 213 1HZ LYS 27 1HZ LYS 27 8.502 16.558 22.219 214 2HZ LYS 27 2HZ LYS 27 7.646 17.103 20.859 215 3HZ LYS 27 3HZ LYS 27 9.019 17.952 21.394 216 H PHE 28 H PHE 28 1.107 16.151 23.872 217 HA PHE 28 HA PHE 28 0.731 14.123 25.744 218 1HB PHE 28 1HB PHE 28 -1.045 14.799 23.376 219 2HB PHE 28 2HB PHE 28 -1.571 14.121 24.915 220 HD1 PHE 28 HD1 PHE 28 -0.144 15.621 26.923 221 HD2 PHE 28 HD2 PHE 28 -1.832 16.998 23.221 222 HE1 PHE 28 HE1 PHE 28 -0.347 17.905 27.865 223 HE2 PHE 28 HE2 PHE 28 -2.036 19.282 24.163 224 HZ PHE 28 HZ PHE 28 -1.293 19.736 26.485 225 H PHE 29 H PHE 29 1.513 13.793 22.360 226 HA PHE 29 HA PHE 29 0.544 11.213 21.753 227 1HB PHE 29 1HB PHE 29 1.602 12.797 20.182 228 2HB PHE 29 2HB PHE 29 3.151 12.572 20.992 229 HD1 PHE 29 HD1 PHE 29 4.074 10.151 21.126 230 HD2 PHE 29 HD2 PHE 29 0.967 11.373 18.424 231 HE1 PHE 29 HE1 PHE 29 4.529 8.169 19.708 232 HE2 PHE 29 HE2 PHE 29 1.422 9.390 17.004 233 HZ PHE 29 HZ PHE 29 3.203 7.788 17.647 234 H GLN 30 H GLN 30 2.957 12.129 24.046 235 HA GLN 30 HA GLN 30 4.588 9.759 24.016 236 1HB GLN 30 1HB GLN 30 3.923 11.739 26.217 237 2HB GLN 30 2HB GLN 30 5.303 10.639 26.215 238 1HG GLN 30 1HG GLN 30 5.105 12.210 23.751 239 2HG GLN 30 2HG GLN 30 5.293 13.216 25.187 240 2HE2 GLN 30 2HE2 GLN 30 7.128 11.795 22.864 241 1HE2 GLN 30 1HE2 GLN 30 8.535 11.459 23.752 242 H SER 31 H SER 31 1.332 10.164 24.924 243 HA SER 31 HA SER 31 1.381 7.530 26.311 244 1HB SER 31 1HB SER 31 1.610 9.096 28.114 245 2HB SER 31 2HB SER 31 0.387 10.164 27.426 246 HG SER 31 HG SER 31 -0.611 8.999 29.004 247 H LEU 32 H LEU 32 -0.869 6.653 26.549 248 HA LEU 32 HA LEU 32 -2.416 6.981 24.143 249 1HB LEU 32 1HB LEU 32 -2.145 4.983 25.765 250 2HB LEU 32 2HB LEU 32 -3.367 5.791 26.748 251 HG LEU 32 HG LEU 32 -4.311 4.094 25.141 252 1HD1 LEU 32 1HD1 LEU 32 -5.368 6.418 25.954 253 2HD1 LEU 32 2HD1 LEU 32 -5.314 6.751 24.223 254 3HD1 LEU 32 3HD1 LEU 32 -6.213 5.359 24.824 255 1HD2 LEU 32 1HD2 LEU 32 -2.532 4.970 23.362 256 2HD2 LEU 32 2HD2 LEU 32 -4.086 4.315 22.847 257 3HD2 LEU 32 3HD2 LEU 32 -3.850 6.060 22.933 258 H ASP 33 H ASP 33 -3.173 7.807 27.541 259 HA ASP 33 HA ASP 33 -5.626 9.137 27.086 260 1HB ASP 33 1HB ASP 33 -4.499 8.483 29.274 261 2HB ASP 33 2HB ASP 33 -3.471 9.903 29.085 262 H GLY 34 H GLY 34 -2.288 10.346 26.968 263 1HA GLY 34 1HA GLY 34 -1.439 12.394 26.155 264 2HA GLY 34 2HA GLY 34 -3.066 13.066 26.306 265 H ILE 35 H ILE 35 -2.167 10.160 24.525 266 HA ILE 35 HA ILE 35 -2.002 11.260 21.902 267 HB ILE 35 HB ILE 35 -2.547 8.610 23.188 268 1HG1 ILE 35 1HG1 ILE 35 -0.253 9.649 22.705 269 2HG1 ILE 35 2HG1 ILE 35 -0.500 7.999 22.133 270 1HG2 ILE 35 1HG2 ILE 35 -3.225 9.326 20.353 271 2HG2 ILE 35 2HG2 ILE 35 -2.542 7.736 20.692 272 3HG2 ILE 35 3HG2 ILE 35 -4.055 8.228 21.455 273 1HD1 ILE 35 1HD1 ILE 35 -1.173 10.286 20.311 274 2HD1 ILE 35 2HD1 ILE 35 0.516 9.822 20.514 275 3HD1 ILE 35 3HD1 ILE 35 -0.650 8.651 19.903 276 H MET 36 H MET 36 -4.772 10.083 23.801 277 HA MET 36 HA MET 36 -6.836 10.021 21.964 278 1HB MET 36 1HB MET 36 -6.592 11.065 24.778 279 2HB MET 36 2HB MET 36 -8.144 11.122 23.944 280 1HG MET 36 1HG MET 36 -6.459 8.632 24.347 281 2HG MET 36 2HG MET 36 -7.912 9.038 25.259 282 1HE MET 36 1HE MET 36 -10.180 8.583 24.641 283 2HE MET 36 2HE MET 36 -10.066 10.030 23.643 284 3HE MET 36 3HE MET 36 -10.823 8.580 22.992 285 H PHE 37 H PHE 37 -5.667 13.002 23.597 286 HA PHE 37 HA PHE 37 -7.341 14.880 22.408 287 1HB PHE 37 1HB PHE 37 -5.953 16.172 23.634 288 2HB PHE 37 2HB PHE 37 -4.900 14.779 23.864 289 HD1 PHE 37 HD1 PHE 37 -3.068 14.331 22.150 290 HD2 PHE 37 HD2 PHE 37 -5.299 17.995 22.278 291 HE1 PHE 37 HE1 PHE 37 -1.330 15.439 20.778 292 HE2 PHE 37 HE2 PHE 37 -3.565 19.100 20.900 293 HZ PHE 37 HZ PHE 37 -1.589 17.813 20.147 294 H ILE 38 H ILE 38 -4.302 13.569 21.001 295 HA ILE 38 HA ILE 38 -4.255 15.008 18.589 296 HB ILE 38 HB ILE 38 -3.570 12.134 19.267 297 1HG1 ILE 38 1HG1 ILE 38 -2.022 14.730 19.133 298 2HG1 ILE 38 2HG1 ILE 38 -2.236 13.669 20.526 299 1HG2 ILE 38 1HG2 ILE 38 -3.825 13.253 16.700 300 2HG2 ILE 38 2HG2 ILE 38 -2.095 13.278 17.046 301 3HG2 ILE 38 3HG2 ILE 38 -2.987 11.759 17.121 302 1HD1 ILE 38 1HD1 ILE 38 -0.796 12.865 17.981 303 2HD1 ILE 38 2HD1 ILE 38 0.015 13.441 19.437 304 3HD1 ILE 38 3HD1 ILE 38 -0.898 11.934 19.475 305 H ASN 39 H ASN 39 -6.139 12.122 19.446 306 HA ASN 39 HA ASN 39 -7.260 11.637 16.850 307 1HB ASN 39 1HB ASN 39 -8.193 11.062 19.677 308 2HB ASN 39 2HB ASN 39 -8.956 10.380 18.241 309 2HD2 ASN 39 2HD2 ASN 39 -7.587 8.794 20.284 310 1HD2 ASN 39 1HD2 ASN 39 -6.256 8.053 19.534 311 H LYS 40 H LYS 40 -8.321 13.621 19.594 312 HA LYS 40 HA LYS 40 -10.778 14.471 18.215 313 1HB LYS 40 1HB LYS 40 -9.448 14.776 20.862 314 2HB LYS 40 2HB LYS 40 -10.555 16.064 20.389 315 1HG LYS 40 1HG LYS 40 -12.386 14.572 20.198 316 2HG LYS 40 2HG LYS 40 -11.335 13.156 20.170 317 1HD LYS 40 1HD LYS 40 -10.652 14.307 22.568 318 2HD LYS 40 2HD LYS 40 -12.374 14.679 22.470 319 1HE LYS 40 1HE LYS 40 -12.861 12.280 22.045 320 2HE LYS 40 2HE LYS 40 -11.131 11.917 22.188 321 1HZ LYS 40 1HZ LYS 40 -12.371 13.532 24.293 322 2HZ LYS 40 2HZ LYS 40 -12.730 11.871 24.280 323 3HZ LYS 40 3HZ LYS 40 -11.120 12.389 24.405 324 H CYS 41 H CYS 41 -7.488 15.573 18.574 325 HA CYS 41 HA CYS 41 -7.796 18.368 18.120 326 1HB CYS 41 1HB CYS 41 -5.762 16.684 18.633 327 2HB CYS 41 2HB CYS 41 -5.526 16.860 16.894 328 H ALA 42 H ALA 42 -6.907 15.866 15.704 329 HA ALA 42 HA ALA 42 -7.291 17.543 13.418 330 1HB ALA 42 1HB ALA 42 -7.203 14.575 13.961 331 2HB ALA 42 2HB ALA 42 -7.469 15.186 12.328 332 3HB ALA 42 3HB ALA 42 -5.983 15.587 13.186 333 H THR 43 H THR 43 -9.509 15.505 15.269 334 HA THR 43 HA THR 43 -11.675 15.685 13.309 335 HB THR 43 HB THR 43 -11.545 14.831 16.220 336 HG1 THR 43 HG1 THR 43 -10.291 13.589 14.774 337 1HG2 THR 43 1HG2 THR 43 -13.822 15.489 14.957 338 2HG2 THR 43 2HG2 THR 43 -13.642 13.841 14.354 339 3HG2 THR 43 3HG2 THR 43 -13.731 14.140 16.089 340 H CYS 44 H CYS 44 -10.612 17.504 16.126 341 HA CYS 44 HA CYS 44 -13.138 19.023 16.301 342 1HB CYS 44 1HB CYS 44 -11.995 18.449 18.344 343 2HB CYS 44 2HB CYS 44 -10.467 19.085 17.733 344 H LYS 45 H LYS 45 -9.710 19.674 15.488 345 HA LYS 45 HA LYS 45 -9.893 22.421 14.902 346 1HB LYS 45 1HB LYS 45 -7.834 22.062 13.759 347 2HB LYS 45 2HB LYS 45 -7.896 20.787 14.974 348 1HG LYS 45 1HG LYS 45 -7.452 19.425 13.195 349 2HG LYS 45 2HG LYS 45 -9.185 19.568 12.904 350 1HD LYS 45 1HD LYS 45 -8.908 21.046 11.150 351 2HD LYS 45 2HD LYS 45 -7.405 21.700 11.800 352 1HE LYS 45 1HE LYS 45 -6.191 19.683 11.145 353 2HE LYS 45 2HE LYS 45 -7.698 18.919 10.606 354 1HZ LYS 45 1HZ LYS 45 -6.617 21.492 9.572 355 2HZ LYS 45 2HZ LYS 45 -6.494 20.004 8.768 356 3HZ LYS 45 3HZ LYS 45 -8.021 20.703 9.029 357 H MET 46 H MET 46 -11.036 19.667 13.056 358 HA MET 46 HA MET 46 -11.410 21.129 10.560 359 1HB MET 46 1HB MET 46 -12.622 19.031 9.957 360 2HB MET 46 2HB MET 46 -11.039 18.706 10.661 361 1HG MET 46 1HG MET 46 -11.942 17.641 12.438 362 2HG MET 46 2HG MET 46 -13.134 18.916 12.688 363 1HE MET 46 1HE MET 46 -14.821 19.423 10.934 364 2HE MET 46 2HE MET 46 -14.421 18.670 9.392 365 3HE MET 46 3HE MET 46 -15.899 18.209 10.232 366 H ILE 47 H ILE 47 -13.238 20.600 13.483 367 HA ILE 47 HA ILE 47 -15.880 21.134 12.500 368 HB ILE 47 HB ILE 47 -14.681 21.774 15.214 369 1HG1 ILE 47 1HG1 ILE 47 -14.046 19.516 14.753 370 2HG1 ILE 47 2HG1 ILE 47 -15.495 19.410 15.752 371 1HG2 ILE 47 1HG2 ILE 47 -17.445 21.379 14.120 372 2HG2 ILE 47 2HG2 ILE 47 -17.113 20.905 15.785 373 3HG2 ILE 47 3HG2 ILE 47 -16.863 22.575 15.279 374 1HD1 ILE 47 1HD1 ILE 47 -16.867 19.135 13.703 375 2HD1 ILE 47 2HD1 ILE 47 -15.398 19.196 12.726 376 3HD1 ILE 47 3HD1 ILE 47 -15.655 17.862 13.850 377 H LEU 48 H LEU 48 -13.145 23.183 13.239 378 HA LEU 48 HA LEU 48 -14.703 25.669 13.364 379 1HB LEU 48 1HB LEU 48 -11.746 25.008 13.166 380 2HB LEU 48 2HB LEU 48 -12.374 26.638 13.397 381 HG LEU 48 HG LEU 48 -11.879 25.899 15.587 382 1HD1 LEU 48 1HD1 LEU 48 -14.308 26.710 15.113 383 2HD1 LEU 48 2HD1 LEU 48 -14.757 25.028 15.393 384 3HD1 LEU 48 3HD1 LEU 48 -13.967 25.954 16.669 385 1HD2 LEU 48 1HD2 LEU 48 -11.668 23.461 14.754 386 2HD2 LEU 48 2HD2 LEU 48 -12.215 23.710 16.412 387 3HD2 LEU 48 3HD2 LEU 48 -13.382 23.321 15.148 388 H GLU 49 H GLU 49 -12.634 23.981 11.014 389 HA GLU 49 HA GLU 49 -12.565 26.000 8.998 390 1HB GLU 49 1HB GLU 49 -12.545 22.969 8.814 391 2HB GLU 49 2HB GLU 49 -11.997 24.064 7.545 392 1HG GLU 49 1HG GLU 49 -10.336 25.018 9.161 393 2HG GLU 49 2HG GLU 49 -10.826 23.791 10.329 394 H LYS 50 H LYS 50 -15.060 23.705 9.913 395 HA LYS 50 HA LYS 50 -16.617 23.681 7.526 396 1HB LYS 50 1HB LYS 50 -17.310 23.475 10.472 397 2HB LYS 50 2HB LYS 50 -18.452 23.112 9.179 398 1HG LYS 50 1HG LYS 50 -15.739 21.785 9.413 399 2HG LYS 50 2HG LYS 50 -17.210 21.100 10.106 400 1HD LYS 50 1HD LYS 50 -16.848 21.808 7.177 401 2HD LYS 50 2HD LYS 50 -16.708 20.181 7.841 402 1HE LYS 50 1HE LYS 50 -19.062 20.370 8.688 403 2HE LYS 50 2HE LYS 50 -19.186 21.940 7.874 404 1HZ LYS 50 1HZ LYS 50 -18.437 20.793 5.813 405 2HZ LYS 50 2HZ LYS 50 -18.574 19.309 6.628 406 3HZ LYS 50 3HZ LYS 50 -19.952 20.267 6.363 407 H GLU 51 H GLU 51 -16.808 25.838 10.381 408 HA GLU 51 HA GLU 51 -18.996 27.432 9.599 409 1HB GLU 51 1HB GLU 51 -16.422 28.102 11.059 410 2HB GLU 51 2HB GLU 51 -17.843 29.146 11.043 411 1HG GLU 51 1HG GLU 51 -19.187 27.309 12.024 412 2HG GLU 51 2HG GLU 51 -17.748 26.291 12.068 413 H ALA 52 H ALA 52 -15.705 27.400 8.379 414 HA ALA 52 HA ALA 52 -15.897 29.989 7.029 415 1HB ALA 52 1HB ALA 52 -13.963 27.885 7.578 416 2HB ALA 52 2HB ALA 52 -13.841 28.440 5.909 417 3HB ALA 52 3HB ALA 52 -13.678 29.591 7.235 418 H LYS 53 H LYS 53 -16.774 26.701 6.302 419 HA LYS 53 HA LYS 53 -16.724 26.942 3.404 420 1HB LYS 53 1HB LYS 53 -16.566 24.819 4.684 421 2HB LYS 53 2HB LYS 53 -18.213 25.061 5.266 422 1HG LYS 53 1HG LYS 53 -18.954 25.137 2.846 423 2HG LYS 53 2HG LYS 53 -17.322 24.636 2.401 424 1HD LYS 53 1HD LYS 53 -17.590 22.626 3.865 425 2HD LYS 53 2HD LYS 53 -19.259 23.109 4.167 426 1HE LYS 53 1HE LYS 53 -19.698 23.006 1.704 427 2HE LYS 53 2HE LYS 53 -18.047 22.399 1.471 428 1HZ LYS 53 1HZ LYS 53 -19.823 21.157 3.474 429 2HZ LYS 53 2HZ LYS 53 -19.961 20.713 1.839 430 3HZ LYS 53 3HZ LYS 53 -18.494 20.482 2.665 431 H SER 54 H SER 54 -19.057 27.664 5.936 432 HA SER 54 HA SER 54 -21.387 27.820 4.216 433 1HB SER 54 1HB SER 54 -21.337 27.479 6.705 434 2HB SER 54 2HB SER 54 -20.801 29.150 6.881 435 HG SER 54 HG SER 54 -22.719 29.791 5.816 436 H GLN 55 H GLN 55 -18.693 29.907 4.799 437 HA GLN 55 HA GLN 55 -20.155 32.312 3.824 438 1HB GLN 55 1HB GLN 55 -18.700 32.422 5.829 439 2HB GLN 55 2HB GLN 55 -17.329 31.890 4.854 440 1HG GLN 55 1HG GLN 55 -17.640 33.892 3.396 441 2HG GLN 55 2HG GLN 55 -18.928 34.439 4.469 442 2HE2 GLN 55 2HE2 GLN 55 -18.248 35.802 6.130 443 1HE2 GLN 55 1HE2 GLN 55 -16.663 35.892 6.731 No H/Q in entry = 443 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 -27.757 20.065 17.894 2 H2 LYS 1 H2 LYS 1 -27.122 21.299 16.914 3 H3 LYS 1 H3 LYS 1 -27.841 19.938 16.202 4 HA LYS 1 HA LYS 1 -26.031 18.612 16.523 5 1HB LYS 1 1HB LYS 1 -24.991 21.464 16.597 6 2HB LYS 1 2HB LYS 1 -24.043 20.057 16.114 7 1HG LYS 1 1HG LYS 1 -25.681 19.605 14.299 8 2HG LYS 1 2HG LYS 1 -26.569 21.057 14.762 9 1HD LYS 1 1HD LYS 1 -24.651 22.457 14.241 10 2HD LYS 1 2HD LYS 1 -23.652 21.037 13.931 11 1HE LYS 1 1HE LYS 1 -25.337 20.411 12.106 12 2HE LYS 1 2HE LYS 1 -26.004 22.043 12.304 13 1HZ LYS 1 1HZ LYS 1 -23.708 22.899 12.042 14 2HZ LYS 1 2HZ LYS 1 -23.183 21.324 11.681 15 3HZ LYS 1 3HZ LYS 1 -24.277 22.116 10.650 16 H ASN 2 H ASN 2 -24.601 17.673 18.024 17 HA ASN 2 HA ASN 2 -24.481 18.992 20.719 18 1HB ASN 2 1HB ASN 2 -24.519 16.061 19.922 19 2HB ASN 2 2HB ASN 2 -24.455 16.664 21.579 20 2HD2 ASN 2 2HD2 ASN 2 -26.635 15.146 19.945 21 1HD2 ASN 2 1HD2 ASN 2 -28.039 16.056 20.227 22 H GLU 3 H GLU 3 -22.447 19.056 21.729 23 HA GLU 3 HA GLU 3 -20.084 19.005 20.135 24 1HB GLU 3 1HB GLU 3 -20.459 18.742 23.137 25 2HB GLU 3 2HB GLU 3 -18.978 19.258 22.331 26 1HG GLU 3 1HG GLU 3 -20.328 21.134 21.284 27 2HG GLU 3 2HG GLU 3 -21.651 20.683 22.359 28 H ASP 4 H ASP 4 -21.730 16.494 21.945 29 HA ASP 4 HA ASP 4 -19.513 14.628 22.075 30 1HB ASP 4 1HB ASP 4 -22.523 14.465 22.306 31 2HB ASP 4 2HB ASP 4 -21.494 13.047 22.506 32 H GLN 5 H GLN 5 -21.308 15.781 19.480 33 HA GLN 5 HA GLN 5 -21.381 13.263 17.939 34 1HB GLN 5 1HB GLN 5 -23.119 15.125 17.894 35 2HB GLN 5 2HB GLN 5 -21.919 16.117 17.066 36 1HG GLN 5 1HG GLN 5 -21.904 14.724 15.164 37 2HG GLN 5 2HG GLN 5 -22.626 13.373 16.037 38 2HE2 GLN 5 2HE2 GLN 5 -23.677 14.611 13.556 39 1HE2 GLN 5 1HE2 GLN 5 -25.221 15.205 13.937 40 H GLU 6 H GLU 6 -19.630 16.333 18.005 41 HA GLU 6 HA GLU 6 -17.811 15.439 15.832 42 1HB GLU 6 1HB GLU 6 -17.888 17.998 17.467 43 2HB GLU 6 2HB GLU 6 -17.047 17.753 15.936 44 1HG GLU 6 1HG GLU 6 -20.049 17.522 16.306 45 2HG GLU 6 2HG GLU 6 -19.227 18.939 15.655 46 H MET 7 H MET 7 -18.075 15.218 19.186 47 HA MET 7 HA MET 7 -16.556 14.695 20.901 48 1HB MET 7 1HB MET 7 -15.148 13.640 18.427 49 2HB MET 7 2HB MET 7 -14.745 13.176 20.080 50 1HG MET 7 1HG MET 7 -16.849 12.120 20.409 51 2HG MET 7 2HG MET 7 -17.546 12.891 18.984 52 1HE MET 7 1HE MET 7 -16.597 12.836 16.858 53 2HE MET 7 2HE MET 7 -14.965 12.207 16.642 54 3HE MET 7 3HE MET 7 -16.354 11.308 16.015 55 H CYS 8 H CYS 8 -16.252 17.260 20.716 56 HA CYS 8 HA CYS 8 -13.326 17.724 20.739 57 1HB CYS 8 1HB CYS 8 -15.324 18.989 18.857 58 2HB CYS 8 2HB CYS 8 -13.795 19.780 19.242 59 H HIS 9 H HIS 9 -13.204 18.523 22.821 60 HA HIS 9 HA HIS 9 -15.065 20.765 23.542 61 1HB HIS 9 1HB HIS 9 -13.912 18.603 25.334 62 2HB HIS 9 2HB HIS 9 -15.081 19.836 25.806 63 HD1 HIS 9 HD1 HIS 9 -14.760 16.649 23.848 64 HD2 HIS 9 HD2 HIS 9 -17.739 19.375 24.886 65 HE1 HIS 9 HE1 HIS 9 -16.967 15.568 23.232 66 H GLU 10 H GLU 10 -11.938 19.231 24.406 67 HA GLU 10 HA GLU 10 -10.857 21.544 25.729 68 1HB GLU 10 1HB GLU 10 -9.718 19.050 24.452 69 2HB GLU 10 2HB GLU 10 -8.693 20.228 25.271 70 1HG GLU 10 1HG GLU 10 -11.063 18.796 26.512 71 2HG GLU 10 2HG GLU 10 -9.368 18.408 26.806 72 H PHE 11 H PHE 11 -10.439 20.277 22.406 73 HA PHE 11 HA PHE 11 -8.606 22.236 21.464 74 1HB PHE 11 1HB PHE 11 -10.804 20.633 20.148 75 2HB PHE 11 2HB PHE 11 -9.619 21.563 19.237 76 HD1 PHE 11 HD1 PHE 11 -7.099 21.120 19.838 77 HD2 PHE 11 HD2 PHE 11 -10.313 18.412 20.731 78 HE1 PHE 11 HE1 PHE 11 -5.476 19.251 20.016 79 HE2 PHE 11 HE2 PHE 11 -8.692 16.547 20.906 80 HZ PHE 11 HZ PHE 11 -6.277 16.967 20.547 81 H GLN 12 H GLN 12 -12.192 22.200 21.315 82 HA GLN 12 HA GLN 12 -12.668 24.570 19.919 83 1HB GLN 12 1HB GLN 12 -14.397 23.021 20.726 84 2HB GLN 12 2HB GLN 12 -14.047 23.475 22.394 85 1HG GLN 12 1HG GLN 12 -15.097 25.512 22.203 86 2HG GLN 12 2HG GLN 12 -14.665 25.690 20.502 87 2HE2 GLN 12 2HE2 GLN 12 -16.888 26.142 19.847 88 1HE2 GLN 12 1HE2 GLN 12 -18.083 24.937 19.864 89 H ALA 13 H ALA 13 -11.747 24.175 23.327 90 HA ALA 13 HA ALA 13 -11.990 26.966 24.036 91 1HB ALA 13 1HB ALA 13 -11.170 26.214 26.087 92 2HB ALA 13 2HB ALA 13 -10.054 25.075 25.333 93 3HB ALA 13 3HB ALA 13 -11.776 24.702 25.410 94 H PHE 14 H PHE 14 -9.703 25.178 22.185 95 HA PHE 14 HA PHE 14 -7.437 26.985 22.696 96 1HB PHE 14 1HB PHE 14 -7.947 24.748 20.708 97 2HB PHE 14 2HB PHE 14 -6.388 25.522 20.969 98 HD1 PHE 14 HD1 PHE 14 -7.622 25.732 24.107 99 HD2 PHE 14 HD2 PHE 14 -6.421 22.685 21.326 100 HE1 PHE 14 HE1 PHE 14 -7.174 24.186 25.994 101 HE2 PHE 14 HE2 PHE 14 -5.974 21.141 23.212 102 HZ PHE 14 HZ PHE 14 -6.350 21.890 25.547 103 H MET 15 H MET 15 -10.195 27.701 21.293 104 HA MET 15 HA MET 15 -9.274 28.639 18.660 105 1HB MET 15 1HB MET 15 -11.838 28.942 20.258 106 2HB MET 15 2HB MET 15 -11.638 29.477 18.590 107 1HG MET 15 1HG MET 15 -11.094 27.176 17.911 108 2HG MET 15 2HG MET 15 -11.266 26.638 19.578 109 1HE MET 15 1HE MET 15 -12.785 28.488 16.700 110 2HE MET 15 2HE MET 15 -14.534 28.368 16.873 111 3HE MET 15 3HE MET 15 -13.624 29.443 17.932 112 H LYS 16 H LYS 16 -7.615 30.155 19.304 113 HA LYS 16 HA LYS 16 -8.233 32.379 21.107 114 1HB LYS 16 1HB LYS 16 -5.987 31.351 20.843 115 2HB LYS 16 2HB LYS 16 -5.951 31.886 19.163 116 1HG LYS 16 1HG LYS 16 -6.312 34.254 20.057 117 2HG LYS 16 2HG LYS 16 -5.969 33.598 21.658 118 1HD LYS 16 1HD LYS 16 -3.787 32.751 20.814 119 2HD LYS 16 2HD LYS 16 -4.128 33.489 19.249 120 1HE LYS 16 1HE LYS 16 -4.071 35.703 20.178 121 2HE LYS 16 2HE LYS 16 -4.087 35.075 21.837 122 1HZ LYS 16 1HZ LYS 16 -2.009 34.100 20.015 123 2HZ LYS 16 2HZ LYS 16 -1.836 35.678 20.612 124 3HZ LYS 16 3HZ LYS 16 -1.937 34.371 21.691 125 H ASN 17 H ASN 17 -9.838 33.733 20.270 126 HA ASN 17 HA ASN 17 -10.835 35.310 18.816 127 1HB ASN 17 1HB ASN 17 -8.414 36.118 19.221 128 2HB ASN 17 2HB ASN 17 -8.063 35.480 17.614 129 2HD2 ASN 17 2HD2 ASN 17 -8.818 38.325 19.108 130 1HD2 ASN 17 1HD2 ASN 17 -9.654 39.104 17.854 131 H GLY 18 H GLY 18 -11.520 32.892 17.948 132 1HA GLY 18 1HA GLY 18 -11.795 33.151 15.114 133 2HA GLY 18 2HA GLY 18 -12.181 31.699 16.038 134 H LYS 19 H LYS 19 -9.303 31.788 17.097 135 HA LYS 19 HA LYS 19 -8.013 30.614 14.655 136 1HB LYS 19 1HB LYS 19 -7.255 32.908 15.623 137 2HB LYS 19 2HB LYS 19 -6.563 31.954 16.934 138 1HG LYS 19 1HG LYS 19 -5.990 31.392 14.014 139 2HG LYS 19 2HG LYS 19 -4.986 32.459 14.994 140 1HD LYS 19 1HD LYS 19 -4.668 30.580 16.620 141 2HD LYS 19 2HD LYS 19 -5.555 29.527 15.517 142 1HE LYS 19 1HE LYS 19 -3.877 29.882 13.767 143 2HE LYS 19 2HE LYS 19 -3.014 31.038 14.801 144 1HZ LYS 19 1HZ LYS 19 -3.672 28.431 15.947 145 2HZ LYS 19 2HZ LYS 19 -2.432 28.459 14.787 146 3HZ LYS 19 3HZ LYS 19 -2.301 29.403 16.191 147 H LEU 20 H LEU 20 -8.500 28.434 15.229 148 HA LEU 20 HA LEU 20 -8.083 27.375 17.900 149 1HB LEU 20 1HB LEU 20 -9.663 26.265 16.550 150 2HB LEU 20 2HB LEU 20 -8.620 26.313 15.131 151 HG LEU 20 HG LEU 20 -7.127 24.656 16.128 152 1HD1 LEU 20 1HD1 LEU 20 -7.441 25.398 18.486 153 2HD1 LEU 20 2HD1 LEU 20 -9.048 24.671 18.474 154 3HD1 LEU 20 3HD1 LEU 20 -7.619 23.652 18.303 155 1HD2 LEU 20 1HD2 LEU 20 -10.072 23.954 16.220 156 2HD2 LEU 20 2HD2 LEU 20 -8.949 23.705 14.881 157 3HD2 LEU 20 3HD2 LEU 20 -8.791 22.748 16.354 158 H PHE 21 H PHE 21 -5.981 27.372 18.694 159 HA PHE 21 HA PHE 21 -3.751 26.733 16.831 160 1HB PHE 21 1HB PHE 21 -2.377 27.406 18.870 161 2HB PHE 21 2HB PHE 21 -3.405 28.671 18.204 162 HD1 PHE 21 HD1 PHE 21 -2.911 26.332 21.014 163 HD2 PHE 21 HD2 PHE 21 -5.386 29.452 19.399 164 HE1 PHE 21 HE1 PHE 21 -4.016 26.597 23.216 165 HE2 PHE 21 HE2 PHE 21 -6.481 29.722 21.608 166 HZ PHE 21 HZ PHE 21 -5.798 28.293 23.514 167 H CYS 22 H CYS 22 -4.582 24.458 16.701 168 HA CYS 22 HA CYS 22 -4.722 22.652 18.875 169 1HB CYS 22 1HB CYS 22 -5.047 22.617 16.152 170 2HB CYS 22 2HB CYS 22 -3.597 21.632 16.347 171 HA PRO 23 HA PRO 23 -0.060 21.628 17.954 172 1HB PRO 23 1HB PRO 23 1.133 24.047 16.948 173 2HB PRO 23 2HB PRO 23 1.011 22.476 16.152 174 1HG PRO 23 1HG PRO 23 -0.409 24.871 15.506 175 2HG PRO 23 2HG PRO 23 -0.582 23.282 14.757 176 1HD PRO 23 1HD PRO 23 -2.415 24.639 16.546 177 2HD PRO 23 2HD PRO 23 -2.645 23.086 15.711 178 H GLN 24 H GLN 24 -0.480 21.929 20.299 179 HA GLN 24 HA GLN 24 0.886 24.365 21.400 180 1HB GLN 24 1HB GLN 24 -1.443 24.526 21.895 181 2HB GLN 24 2HB GLN 24 -1.553 22.808 22.278 182 1HG GLN 24 1HG GLN 24 0.016 23.218 24.209 183 2HG GLN 24 2HG GLN 24 -0.108 24.943 23.874 184 2HE2 GLN 24 2HE2 GLN 24 -2.122 22.079 24.684 185 1HE2 GLN 24 1HE2 GLN 24 -3.350 22.966 25.449 186 H ASP 25 H ASP 25 -0.286 21.423 22.987 187 HA ASP 25 HA ASP 25 2.551 20.690 23.627 188 1HB ASP 25 1HB ASP 25 1.095 21.899 25.408 189 2HB ASP 25 2HB ASP 25 0.213 20.375 25.512 190 H LYS 26 H LYS 26 2.032 19.214 21.685 191 HA LYS 26 HA LYS 26 0.063 17.135 21.869 192 1HB LYS 26 1HB LYS 26 2.449 17.850 20.260 193 2HB LYS 26 2HB LYS 26 2.005 16.143 20.242 194 1HG LYS 26 1HG LYS 26 -0.230 16.659 19.483 195 2HG LYS 26 2HG LYS 26 0.037 18.387 19.713 196 1HD LYS 26 1HD LYS 26 2.113 17.794 18.061 197 2HD LYS 26 2HD LYS 26 0.924 16.613 17.509 198 1HE LYS 26 1HE LYS 26 -0.724 18.675 17.547 199 2HE LYS 26 2HE LYS 26 0.776 19.618 17.450 200 1HZ LYS 26 1HZ LYS 26 1.446 18.052 15.621 201 2HZ LYS 26 2HZ LYS 26 -0.153 17.475 15.614 202 3HZ LYS 26 3HZ LYS 26 0.164 19.097 15.231 203 H LYS 27 H LYS 27 2.843 17.604 23.736 204 HA LYS 27 HA LYS 27 4.166 15.205 24.043 205 1HB LYS 27 1HB LYS 27 3.116 17.262 25.977 206 2HB LYS 27 2HB LYS 27 4.024 15.874 26.573 207 1HG LYS 27 1HG LYS 27 5.908 16.446 25.112 208 2HG LYS 27 2HG LYS 27 4.997 17.797 24.438 209 1HD LYS 27 1HD LYS 27 4.822 18.704 26.811 210 2HD LYS 27 2HD LYS 27 5.999 17.475 27.277 211 1HE LYS 27 1HE LYS 27 7.210 19.537 26.789 212 2HE LYS 27 2HE LYS 27 7.531 18.398 25.467 213 1HZ LYS 27 1HZ LYS 27 5.152 20.115 25.311 214 2HZ LYS 27 2HZ LYS 27 6.663 20.815 24.972 215 3HZ LYS 27 3HZ LYS 27 6.117 19.495 24.057 216 H PHE 28 H PHE 28 0.808 15.857 24.828 217 HA PHE 28 HA PHE 28 0.166 13.765 26.602 218 1HB PHE 28 1HB PHE 28 -1.434 14.749 24.218 219 2HB PHE 28 2HB PHE 28 -2.078 14.070 25.712 220 HD1 PHE 28 HD1 PHE 28 -0.681 15.315 27.853 221 HD2 PHE 28 HD2 PHE 28 -1.871 17.040 24.104 222 HE1 PHE 28 HE1 PHE 28 -0.676 17.568 28.889 223 HE2 PHE 28 HE2 PHE 28 -1.869 19.292 25.141 224 HZ PHE 28 HZ PHE 28 -1.271 19.558 27.531 225 H PHE 29 H PHE 29 1.187 13.588 23.295 226 HA PHE 29 HA PHE 29 0.004 11.196 22.377 227 1HB PHE 29 1HB PHE 29 1.318 12.672 20.978 228 2HB PHE 29 2HB PHE 29 2.744 12.436 21.986 229 HD1 PHE 29 HD1 PHE 29 3.552 9.939 22.255 230 HD2 PHE 29 HD2 PHE 29 1.043 11.354 19.067 231 HE1 PHE 29 HE1 PHE 29 4.209 7.989 20.870 232 HE2 PHE 29 HE2 PHE 29 1.703 9.405 17.683 233 HZ PHE 29 HZ PHE 29 3.285 7.722 18.585 234 H GLN 30 H GLN 30 2.321 11.656 24.913 235 HA GLN 30 HA GLN 30 3.688 9.145 24.852 236 1HB GLN 30 1HB GLN 30 2.982 11.173 26.975 237 2HB GLN 30 2HB GLN 30 3.927 9.735 27.360 238 1HG GLN 30 1HG GLN 30 5.333 10.504 25.242 239 2HG GLN 30 2HG GLN 30 4.653 12.081 25.646 240 2HE2 GLN 30 2HE2 GLN 30 6.039 13.235 26.983 241 1HE2 GLN 30 1HE2 GLN 30 7.024 12.560 28.189 242 H SER 31 H SER 31 0.400 9.846 25.553 243 HA SER 31 HA SER 31 0.090 7.108 26.738 244 1HB SER 31 1HB SER 31 -0.082 8.656 28.552 245 2HB SER 31 2HB SER 31 -1.061 9.770 27.598 246 HG SER 31 HG SER 31 -2.687 8.753 28.420 247 H LEU 32 H LEU 32 -1.958 6.094 26.247 248 HA LEU 32 HA LEU 32 -3.000 6.551 23.631 249 1HB LEU 32 1HB LEU 32 -3.064 4.531 25.332 250 2HB LEU 32 2HB LEU 32 -4.590 5.265 25.828 251 HG LEU 32 HG LEU 32 -3.842 4.382 23.029 252 1HD1 LEU 32 1HD1 LEU 32 -5.815 3.369 25.091 253 2HD1 LEU 32 2HD1 LEU 32 -5.855 2.883 23.396 254 3HD1 LEU 32 3HD1 LEU 32 -4.452 2.494 24.392 255 1HD2 LEU 32 1HD2 LEU 32 -6.030 6.099 24.114 256 2HD2 LEU 32 2HD2 LEU 32 -5.214 6.176 22.552 257 3HD2 LEU 32 3HD2 LEU 32 -6.449 4.951 22.843 258 H ASP 33 H ASP 33 -3.987 7.726 26.802 259 HA ASP 33 HA ASP 33 -6.474 8.920 25.794 260 1HB ASP 33 1HB ASP 33 -4.934 9.046 28.408 261 2HB ASP 33 2HB ASP 33 -6.503 9.813 28.165 262 H GLY 34 H GLY 34 -3.230 10.034 26.767 263 1HA GLY 34 1HA GLY 34 -2.225 12.150 26.521 264 2HA GLY 34 2HA GLY 34 -3.837 12.833 26.299 265 H ILE 35 H ILE 35 -2.551 10.166 24.395 266 HA ILE 35 HA ILE 35 -1.739 11.805 22.133 267 HB ILE 35 HB ILE 35 -1.022 9.420 22.865 268 1HG1 ILE 35 1HG1 ILE 35 -1.566 10.442 20.107 269 2HG1 ILE 35 2HG1 ILE 35 -0.027 10.095 20.886 270 1HG2 ILE 35 1HG2 ILE 35 -3.552 8.784 21.320 271 2HG2 ILE 35 2HG2 ILE 35 -2.351 7.603 21.844 272 3HG2 ILE 35 3HG2 ILE 35 -3.291 8.494 23.038 273 1HD1 ILE 35 1HD1 ILE 35 -0.548 7.650 20.715 274 2HD1 ILE 35 2HD1 ILE 35 -2.000 8.066 19.803 275 3HD1 ILE 35 3HD1 ILE 35 -0.407 8.442 19.145 276 H MET 36 H MET 36 -4.586 9.859 22.965 277 HA MET 36 HA MET 36 -6.112 9.855 20.674 278 1HB MET 36 1HB MET 36 -6.613 10.145 23.577 279 2HB MET 36 2HB MET 36 -7.956 10.624 22.536 280 1HG MET 36 1HG MET 36 -8.026 8.474 21.487 281 2HG MET 36 2HG MET 36 -6.485 8.001 22.200 282 1HE MET 36 1HE MET 36 -9.843 9.631 23.297 283 2HE MET 36 2HE MET 36 -10.247 8.119 22.470 284 3HE MET 36 3HE MET 36 -10.595 8.309 24.188 285 H PHE 37 H PHE 37 -5.608 12.663 22.824 286 HA PHE 37 HA PHE 37 -7.376 14.494 21.646 287 1HB PHE 37 1HB PHE 37 -6.320 15.843 23.133 288 2HB PHE 37 2HB PHE 37 -5.290 14.468 23.511 289 HD1 PHE 37 HD1 PHE 37 -3.172 14.136 22.062 290 HD2 PHE 37 HD2 PHE 37 -5.407 17.797 22.201 291 HE1 PHE 37 HE1 PHE 37 -1.206 15.367 21.194 292 HE2 PHE 37 HE2 PHE 37 -3.441 19.029 21.329 293 HZ PHE 37 HZ PHE 37 -1.346 17.807 20.823 294 H ILE 38 H ILE 38 -4.104 13.546 20.549 295 HA ILE 38 HA ILE 38 -3.791 15.333 18.385 296 HB ILE 38 HB ILE 38 -3.063 12.397 18.666 297 1HG1 ILE 38 1HG1 ILE 38 -1.585 14.960 19.325 298 2HG1 ILE 38 2HG1 ILE 38 -2.138 13.735 20.466 299 1HG2 ILE 38 1HG2 ILE 38 -2.671 14.329 16.508 300 2HG2 ILE 38 2HG2 ILE 38 -1.145 13.676 17.105 301 3HG2 ILE 38 3HG2 ILE 38 -2.399 12.585 16.513 302 1HD1 ILE 38 1HD1 ILE 38 -0.432 12.693 18.294 303 2HD1 ILE 38 2HD1 ILE 38 0.379 13.813 19.387 304 3HD1 ILE 38 3HD1 ILE 38 -0.385 12.357 20.024 305 H ASN 39 H ASN 39 -5.414 12.165 18.486 306 HA ASN 39 HA ASN 39 -6.228 12.030 15.766 307 1HB ASN 39 1HB ASN 39 -7.433 11.000 18.351 308 2HB ASN 39 2HB ASN 39 -7.985 10.491 16.755 309 2HD2 ASN 39 2HD2 ASN 39 -6.541 8.908 18.922 310 1HD2 ASN 39 1HD2 ASN 39 -5.169 8.275 18.151 311 H LYS 40 H LYS 40 -7.648 13.679 18.548 312 HA LYS 40 HA LYS 40 -10.026 14.509 16.992 313 1HB LYS 40 1HB LYS 40 -9.032 14.896 19.829 314 2HB LYS 40 2HB LYS 40 -10.523 15.630 19.237 315 1HG LYS 40 1HG LYS 40 -11.417 13.415 18.673 316 2HG LYS 40 2HG LYS 40 -9.910 12.658 19.192 317 1HD LYS 40 1HD LYS 40 -10.383 13.927 21.448 318 2HD LYS 40 2HD LYS 40 -12.044 13.966 20.855 319 1HE LYS 40 1HE LYS 40 -11.579 11.383 20.387 320 2HE LYS 40 2HE LYS 40 -10.380 11.610 21.673 321 1HZ LYS 40 1HZ LYS 40 -13.078 12.758 21.969 322 2HZ LYS 40 2HZ LYS 40 -12.847 11.106 22.288 323 3HZ LYS 40 3HZ LYS 40 -11.984 12.268 23.173 324 H CYS 41 H CYS 41 -6.926 15.756 18.018 325 HA CYS 41 HA CYS 41 -7.263 18.534 17.967 326 1HB CYS 41 1HB CYS 41 -5.161 17.544 18.528 327 2HB CYS 41 2HB CYS 41 -5.077 16.680 16.993 328 H ALA 42 H ALA 42 -5.858 16.892 15.144 329 HA ALA 42 HA ALA 42 -6.444 18.872 13.239 330 1HB ALA 42 1HB ALA 42 -5.204 16.443 13.312 331 2HB ALA 42 2HB ALA 42 -5.538 17.320 11.820 332 3HB ALA 42 3HB ALA 42 -6.635 16.048 12.359 333 H THR 43 H THR 43 -8.460 16.142 14.311 334 HA THR 43 HA THR 43 -10.563 16.432 12.401 335 HB THR 43 HB THR 43 -10.800 15.557 15.293 336 HG1 THR 43 HG1 THR 43 -9.925 13.641 14.680 337 1HG2 THR 43 1HG2 THR 43 -12.443 15.375 12.883 338 2HG2 THR 43 2HG2 THR 43 -12.151 13.800 13.621 339 3HG2 THR 43 3HG2 THR 43 -12.887 15.094 14.567 340 H CYS 44 H CYS 44 -10.527 17.533 15.821 341 HA CYS 44 HA CYS 44 -12.848 19.041 15.901 342 1HB CYS 44 1HB CYS 44 -10.086 19.654 17.000 343 2HB CYS 44 2HB CYS 44 -11.557 20.464 17.538 344 H LYS 45 H LYS 45 -9.695 20.078 14.583 345 HA LYS 45 HA LYS 45 -10.274 22.755 13.953 346 1HB LYS 45 1HB LYS 45 -8.078 21.754 13.707 347 2HB LYS 45 2HB LYS 45 -8.680 20.628 12.492 348 1HG LYS 45 1HG LYS 45 -9.420 22.959 11.341 349 2HG LYS 45 2HG LYS 45 -8.003 23.512 12.234 350 1HD LYS 45 1HD LYS 45 -6.655 21.718 11.202 351 2HD LYS 45 2HD LYS 45 -8.073 21.167 10.310 352 1HE LYS 45 1HE LYS 45 -8.144 23.155 8.992 353 2HE LYS 45 2HE LYS 45 -7.039 24.008 10.086 354 1HZ LYS 45 1HZ LYS 45 -6.314 21.511 8.649 355 2HZ LYS 45 2HZ LYS 45 -5.971 23.057 8.039 356 3HZ LYS 45 3HZ LYS 45 -5.277 22.550 9.504 357 H MET 46 H MET 46 -10.966 19.829 12.002 358 HA MET 46 HA MET 46 -12.205 21.315 9.842 359 1HB MET 46 1HB MET 46 -12.666 19.126 8.979 360 2HB MET 46 2HB MET 46 -11.119 19.006 9.810 361 1HG MET 46 1HG MET 46 -11.940 17.437 11.192 362 2HG MET 46 2HG MET 46 -13.249 18.504 11.682 363 1HE MET 46 1HE MET 46 -11.723 16.332 9.273 364 2HE MET 46 2HE MET 46 -12.963 15.175 8.766 365 3HE MET 46 3HE MET 46 -12.719 16.666 7.859 366 H ILE 47 H ILE 47 -13.295 20.081 12.910 367 HA ILE 47 HA ILE 47 -16.098 19.853 12.412 368 HB ILE 47 HB ILE 47 -14.580 20.726 14.897 369 1HG1 ILE 47 1HG1 ILE 47 -13.809 18.571 13.901 370 2HG1 ILE 47 2HG1 ILE 47 -14.574 18.351 15.476 371 1HG2 ILE 47 1HG2 ILE 47 -17.350 19.555 14.508 372 2HG2 ILE 47 2HG2 ILE 47 -16.557 19.733 16.074 373 3HG2 ILE 47 3HG2 ILE 47 -16.964 21.162 15.123 374 1HD1 ILE 47 1HD1 ILE 47 -16.618 18.252 13.480 375 2HD1 ILE 47 2HD1 ILE 47 -16.079 16.958 14.550 376 3HD1 ILE 47 3HD1 ILE 47 -15.314 17.178 12.975 377 H LEU 48 H LEU 48 -14.065 22.630 13.323 378 HA LEU 48 HA LEU 48 -16.212 24.526 13.638 379 1HB LEU 48 1HB LEU 48 -13.247 24.665 13.049 380 2HB LEU 48 2HB LEU 48 -14.224 26.125 13.204 381 HG LEU 48 HG LEU 48 -13.280 25.684 15.368 382 1HD1 LEU 48 1HD1 LEU 48 -15.964 25.933 14.946 383 2HD1 LEU 48 2HD1 LEU 48 -15.914 24.452 15.901 384 3HD1 LEU 48 3HD1 LEU 48 -15.216 25.939 16.542 385 1HD2 LEU 48 1HD2 LEU 48 -12.789 23.255 14.846 386 2HD2 LEU 48 2HD2 LEU 48 -13.402 23.548 16.473 387 3HD2 LEU 48 3HD2 LEU 48 -14.474 22.905 15.230 388 H GLU 49 H GLU 49 -14.158 23.571 10.895 389 HA GLU 49 HA GLU 49 -15.043 25.514 9.006 390 1HB GLU 49 1HB GLU 49 -14.164 22.626 8.669 391 2HB GLU 49 2HB GLU 49 -14.209 23.824 7.376 392 1HG GLU 49 1HG GLU 49 -12.670 25.257 8.808 393 2HG GLU 49 2HG GLU 49 -12.479 23.854 9.860 394 H LYS 50 H LYS 50 -16.587 22.646 10.271 395 HA LYS 50 HA LYS 50 -18.473 22.166 8.157 396 1HB LYS 50 1HB LYS 50 -18.497 21.664 11.150 397 2HB LYS 50 2HB LYS 50 -19.685 20.988 10.037 398 1HG LYS 50 1HG LYS 50 -17.594 20.131 8.721 399 2HG LYS 50 2HG LYS 50 -16.739 20.404 10.239 400 1HD LYS 50 1HD LYS 50 -18.498 19.004 11.387 401 2HD LYS 50 2HD LYS 50 -19.140 18.609 9.792 402 1HE LYS 50 1HE LYS 50 -16.236 18.139 10.537 403 2HE LYS 50 2HE LYS 50 -17.493 16.903 10.732 404 1HZ LYS 50 1HZ LYS 50 -18.115 17.435 8.354 405 2HZ LYS 50 2HZ LYS 50 -16.648 18.279 8.241 406 3HZ LYS 50 3HZ LYS 50 -16.644 16.610 8.563 407 H GLU 51 H GLU 51 -18.587 24.215 11.071 408 HA GLU 51 HA GLU 51 -21.284 25.017 11.027 409 1HB GLU 51 1HB GLU 51 -18.756 26.570 11.669 410 2HB GLU 51 2HB GLU 51 -20.379 27.053 12.164 411 1HG GLU 51 1HG GLU 51 -19.070 24.413 12.889 412 2HG GLU 51 2HG GLU 51 -19.158 25.814 13.957 413 H ALA 52 H ALA 52 -18.667 25.899 8.870 414 HA ALA 52 HA ALA 52 -20.006 28.245 7.749 415 1HB ALA 52 1HB ALA 52 -17.562 27.984 7.826 416 2HB ALA 52 2HB ALA 52 -18.101 28.100 6.151 417 3HB ALA 52 3HB ALA 52 -17.673 26.530 6.833 418 H LYS 53 H LYS 53 -21.240 28.307 5.854 419 HA LYS 53 HA LYS 53 -22.684 26.004 5.011 420 1HB LYS 53 1HB LYS 53 -22.082 28.621 3.593 421 2HB LYS 53 2HB LYS 53 -23.397 27.522 3.177 422 1HG LYS 53 1HG LYS 53 -23.049 28.827 5.893 423 2HG LYS 53 2HG LYS 53 -24.135 29.417 4.637 424 1HD LYS 53 1HD LYS 53 -25.338 27.263 4.660 425 2HD LYS 53 2HD LYS 53 -24.248 26.666 5.912 426 1HE LYS 53 1HE LYS 53 -25.005 28.477 7.430 427 2HE LYS 53 2HE LYS 53 -26.118 29.052 6.173 428 1HZ LYS 53 1HZ LYS 53 -26.138 26.200 6.861 429 2HZ LYS 53 2HZ LYS 53 -26.875 27.274 7.946 430 3HZ LYS 53 3HZ LYS 53 -27.414 27.192 6.337 431 H SER 54 H SER 54 -19.492 27.041 4.229 432 HA SER 54 HA SER 54 -19.259 25.939 1.573 433 1HB SER 54 1HB SER 54 -16.887 26.275 1.976 434 2HB SER 54 2HB SER 54 -17.761 27.614 2.720 435 HG SER 54 HG SER 54 -16.199 25.735 3.866 436 H GLN 55 H GLN 55 -19.241 24.530 4.766 437 HA GLN 55 HA GLN 55 -19.325 21.832 3.739 438 1HB GLN 55 1HB GLN 55 -16.945 22.483 3.317 439 2HB GLN 55 2HB GLN 55 -16.745 22.754 5.047 440 1HG GLN 55 1HG GLN 55 -17.199 20.430 5.531 441 2HG GLN 55 2HG GLN 55 -17.652 20.120 3.854 442 2HE2 GLN 55 2HE2 GLN 55 -15.240 19.312 5.800 443 1HE2 GLN 55 1HE2 GLN 55 -13.899 19.462 4.769 No H/Q in entry = 443 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 -24.108 22.163 9.722 2 H2 LYS 1 H2 LYS 1 -22.569 21.707 9.166 3 H3 LYS 1 H3 LYS 1 -23.758 22.198 8.060 4 HA LYS 1 HA LYS 1 -24.880 20.219 8.138 5 1HB LYS 1 1HB LYS 1 -22.005 19.645 8.929 6 2HB LYS 1 2HB LYS 1 -23.095 18.470 8.193 7 1HG LYS 1 1HG LYS 1 -23.365 19.995 6.239 8 2HG LYS 1 2HG LYS 1 -22.191 21.092 6.965 9 1HD LYS 1 1HD LYS 1 -20.482 19.326 6.912 10 2HD LYS 1 2HD LYS 1 -21.654 18.197 6.232 11 1HE LYS 1 1HE LYS 1 -21.866 19.563 4.214 12 2HE LYS 1 2HE LYS 1 -20.800 20.799 4.909 13 1HZ LYS 1 1HZ LYS 1 -19.167 18.900 5.240 14 2HZ LYS 1 2HZ LYS 1 -20.139 18.002 4.179 15 3HZ LYS 1 3HZ LYS 1 -19.392 19.430 3.641 16 H ASN 2 H ASN 2 -22.699 20.230 10.991 17 HA ASN 2 HA ASN 2 -24.602 18.482 12.449 18 1HB ASN 2 1HB ASN 2 -21.833 19.585 13.012 19 2HB ASN 2 2HB ASN 2 -22.703 18.522 14.118 20 2HD2 ASN 2 2HD2 ASN 2 -23.892 16.724 12.269 21 1HD2 ASN 2 1HD2 ASN 2 -22.667 15.863 11.469 22 H GLU 3 H GLU 3 -25.938 19.260 14.057 23 HA GLU 3 HA GLU 3 -26.316 22.103 14.405 24 1HB GLU 3 1HB GLU 3 -27.287 19.631 15.867 25 2HB GLU 3 2HB GLU 3 -27.894 21.253 16.198 26 1HG GLU 3 1HG GLU 3 -28.606 21.473 13.848 27 2HG GLU 3 2HG GLU 3 -27.983 19.859 13.504 28 H ASP 4 H ASP 4 -24.391 19.689 16.059 29 HA ASP 4 HA ASP 4 -24.022 21.189 18.523 30 1HB ASP 4 1HB ASP 4 -23.804 18.709 18.216 31 2HB ASP 4 2HB ASP 4 -22.355 18.994 17.252 32 H GLN 5 H GLN 5 -22.472 21.130 15.380 33 HA GLN 5 HA GLN 5 -20.732 22.454 14.485 34 1HB GLN 5 1HB GLN 5 -21.481 24.068 16.948 35 2HB GLN 5 2HB GLN 5 -20.492 24.669 15.618 36 1HG GLN 5 1HG GLN 5 -22.432 24.061 14.075 37 2HG GLN 5 2HG GLN 5 -23.396 23.821 15.533 38 2HE2 GLN 5 2HE2 GLN 5 -24.122 25.868 13.719 39 1HE2 GLN 5 1HE2 GLN 5 -23.810 27.378 14.429 40 H GLU 6 H GLU 6 -20.011 23.347 17.824 41 HA GLU 6 HA GLU 6 -17.257 22.497 17.606 42 1HB GLU 6 1HB GLU 6 -19.062 23.253 19.928 43 2HB GLU 6 2HB GLU 6 -17.319 23.024 20.080 44 1HG GLU 6 1HG GLU 6 -16.836 24.882 18.709 45 2HG GLU 6 2HG GLU 6 -18.459 24.908 18.019 46 H MET 7 H MET 7 -18.368 20.244 16.811 47 HA MET 7 HA MET 7 -19.509 18.314 18.372 48 1HB MET 7 1HB MET 7 -17.109 18.161 16.529 49 2HB MET 7 2HB MET 7 -17.944 16.728 17.130 50 1HG MET 7 1HG MET 7 -20.088 17.719 16.203 51 2HG MET 7 2HG MET 7 -19.096 18.948 15.420 52 1HE MET 7 1HE MET 7 -20.123 15.358 15.796 53 2HE MET 7 2HE MET 7 -19.193 14.437 14.617 54 3HE MET 7 3HE MET 7 -18.408 15.071 16.070 55 H CYS 8 H CYS 8 -16.100 19.342 18.575 56 HA CYS 8 HA CYS 8 -15.633 17.506 20.861 57 1HB CYS 8 1HB CYS 8 -13.879 19.416 19.281 58 2HB CYS 8 2HB CYS 8 -13.290 18.340 20.549 59 H HIS 9 H HIS 9 -15.326 18.256 22.970 60 HA HIS 9 HA HIS 9 -15.832 21.176 23.422 61 1HB HIS 9 1HB HIS 9 -16.870 20.476 25.482 62 2HB HIS 9 2HB HIS 9 -17.467 19.395 24.224 63 HD1 HIS 9 HD1 HIS 9 -15.028 19.506 27.108 64 HD2 HIS 9 HD2 HIS 9 -16.697 16.701 24.515 65 HE1 HIS 9 HE1 HIS 9 -14.370 17.228 27.998 66 H GLU 10 H GLU 10 -13.499 18.679 23.705 67 HA GLU 10 HA GLU 10 -12.063 19.732 26.018 68 1HB GLU 10 1HB GLU 10 -11.412 17.783 23.787 69 2HB GLU 10 2HB GLU 10 -10.337 18.088 25.152 70 1HG GLU 10 1HG GLU 10 -11.935 17.252 26.719 71 2HG GLU 10 2HG GLU 10 -13.226 17.264 25.517 72 H PHE 11 H PHE 11 -11.569 19.837 22.473 73 HA PHE 11 HA PHE 11 -9.211 21.543 22.669 74 1HB PHE 11 1HB PHE 11 -11.045 20.543 20.497 75 2HB PHE 11 2HB PHE 11 -9.769 21.702 20.134 76 HD1 PHE 11 HD1 PHE 11 -7.396 21.104 20.427 77 HD2 PHE 11 HD2 PHE 11 -10.527 18.248 21.117 78 HE1 PHE 11 HE1 PHE 11 -5.734 19.270 20.365 79 HE2 PHE 11 HE2 PHE 11 -8.863 16.414 21.052 80 HZ PHE 11 HZ PHE 11 -6.467 16.927 20.678 81 H GLN 12 H GLN 12 -12.629 22.087 22.702 82 HA GLN 12 HA GLN 12 -13.005 24.545 21.449 83 1HB GLN 12 1HB GLN 12 -14.627 23.074 22.766 84 2HB GLN 12 2HB GLN 12 -14.012 23.854 24.224 85 1HG GLN 12 1HG GLN 12 -14.560 26.082 23.080 86 2HG GLN 12 2HG GLN 12 -15.465 25.135 21.900 87 2HE2 GLN 12 2HE2 GLN 12 -17.356 26.447 22.892 88 1HE2 GLN 12 1HE2 GLN 12 -18.099 25.810 24.278 89 H ALA 13 H ALA 13 -11.457 23.916 24.586 90 HA ALA 13 HA ALA 13 -11.132 26.697 25.320 91 1HB ALA 13 1HB ALA 13 -9.285 25.472 26.776 92 2HB ALA 13 2HB ALA 13 -10.996 25.184 27.092 93 3HB ALA 13 3HB ALA 13 -10.064 24.017 26.154 94 H PHE 14 H PHE 14 -9.552 24.656 23.044 95 HA PHE 14 HA PHE 14 -6.986 26.112 23.106 96 1HB PHE 14 1HB PHE 14 -8.202 23.931 21.388 97 2HB PHE 14 2HB PHE 14 -6.573 24.551 21.146 98 HD1 PHE 14 HD1 PHE 14 -7.360 24.766 24.588 99 HD2 PHE 14 HD2 PHE 14 -6.206 21.950 21.557 100 HE1 PHE 14 HE1 PHE 14 -6.523 23.222 26.339 101 HE2 PHE 14 HE2 PHE 14 -5.373 20.408 23.304 102 HZ PHE 14 HZ PHE 14 -5.529 21.043 25.698 103 H MET 15 H MET 15 -9.810 27.245 22.261 104 HA MET 15 HA MET 15 -9.337 28.020 19.463 105 1HB MET 15 1HB MET 15 -11.433 28.560 21.572 106 2HB MET 15 2HB MET 15 -11.485 29.334 19.988 107 1HG MET 15 1HG MET 15 -11.230 26.940 19.041 108 2HG MET 15 2HG MET 15 -11.686 26.403 20.654 109 1HE MET 15 1HE MET 15 -13.613 27.285 21.933 110 2HE MET 15 2HE MET 15 -13.699 28.974 21.439 111 3HE MET 15 3HE MET 15 -15.115 27.927 21.272 112 H LYS 16 H LYS 16 -8.747 30.079 18.782 113 HA LYS 16 HA LYS 16 -7.980 32.049 20.914 114 1HB LYS 16 1HB LYS 16 -6.113 30.747 19.772 115 2HB LYS 16 2HB LYS 16 -6.574 31.557 18.275 116 1HG LYS 16 1HG LYS 16 -6.409 33.639 20.107 117 2HG LYS 16 2HG LYS 16 -5.065 32.591 20.560 118 1HD LYS 16 1HD LYS 16 -4.293 32.583 18.205 119 2HD LYS 16 2HD LYS 16 -5.621 33.663 17.776 120 1HE LYS 16 1HE LYS 16 -3.334 34.773 18.249 121 2HE LYS 16 2HE LYS 16 -4.725 35.443 19.121 122 1HZ LYS 16 1HZ LYS 16 -3.142 33.192 20.215 123 2HZ LYS 16 2HZ LYS 16 -2.675 34.800 20.489 124 3HZ LYS 16 3HZ LYS 16 -4.186 34.250 21.040 125 H ASN 17 H ASN 17 -9.842 33.366 20.624 126 HA ASN 17 HA ASN 17 -11.237 34.941 19.546 127 1HB ASN 17 1HB ASN 17 -8.656 35.224 17.970 128 2HB ASN 17 2HB ASN 17 -9.948 36.422 18.022 129 2HD2 ASN 17 2HD2 ASN 17 -6.978 36.042 19.240 130 1HD2 ASN 17 1HD2 ASN 17 -7.172 36.702 20.790 131 H GLY 18 H GLY 18 -11.731 32.366 18.674 132 1HA GLY 18 1HA GLY 18 -12.714 32.858 15.963 133 2HA GLY 18 2HA GLY 18 -13.004 31.407 16.922 134 H LYS 19 H LYS 19 -9.902 31.472 17.358 135 HA LYS 19 HA LYS 19 -9.255 30.099 14.771 136 1HB LYS 19 1HB LYS 19 -8.296 32.452 15.225 137 2HB LYS 19 2HB LYS 19 -7.318 31.676 16.471 138 1HG LYS 19 1HG LYS 19 -7.393 30.721 13.596 139 2HG LYS 19 2HG LYS 19 -6.204 31.878 14.191 140 1HD LYS 19 1HD LYS 19 -5.620 30.173 15.989 141 2HD LYS 19 2HD LYS 19 -6.613 29.019 15.098 142 1HE LYS 19 1HE LYS 19 -5.177 29.089 13.196 143 2HE LYS 19 2HE LYS 19 -4.368 30.561 13.768 144 1HZ LYS 19 1HZ LYS 19 -4.397 28.014 15.297 145 2HZ LYS 19 2HZ LYS 19 -3.148 28.426 14.227 146 3HZ LYS 19 3HZ LYS 19 -3.445 29.389 15.594 147 H LEU 20 H LEU 20 -9.171 27.949 15.372 148 HA LEU 20 HA LEU 20 -8.298 27.112 18.041 149 1HB LEU 20 1HB LEU 20 -10.067 26.092 16.444 150 2HB LEU 20 2HB LEU 20 -8.695 25.393 15.585 151 HG LEU 20 HG LEU 20 -9.395 24.974 18.507 152 1HD1 LEU 20 1HD1 LEU 20 -9.818 23.461 15.990 153 2HD1 LEU 20 2HD1 LEU 20 -9.251 22.515 17.366 154 3HD1 LEU 20 3HD1 LEU 20 -10.750 23.437 17.488 155 1HD2 LEU 20 1HD2 LEU 20 -6.995 24.206 16.852 156 2HD2 LEU 20 2HD2 LEU 20 -7.035 24.957 18.447 157 3HD2 LEU 20 3HD2 LEU 20 -7.471 23.259 18.262 158 H PHE 21 H PHE 21 -6.167 26.793 18.574 159 HA PHE 21 HA PHE 21 -4.200 26.447 16.344 160 1HB PHE 21 1HB PHE 21 -2.598 27.093 18.285 161 2HB PHE 21 2HB PHE 21 -3.648 28.349 17.634 162 HD1 PHE 21 HD1 PHE 21 -3.031 26.093 20.483 163 HD2 PHE 21 HD2 PHE 21 -5.551 29.189 18.901 164 HE1 PHE 21 HE1 PHE 21 -4.020 26.436 22.730 165 HE2 PHE 21 HE2 PHE 21 -6.538 29.535 21.149 166 HZ PHE 21 HZ PHE 21 -5.772 28.159 23.064 167 H CYS 22 H CYS 22 -4.954 24.116 16.324 168 HA CYS 22 HA CYS 22 -4.715 22.285 18.427 169 1HB CYS 22 1HB CYS 22 -5.673 21.563 16.409 170 2HB CYS 22 2HB CYS 22 -4.328 22.154 15.443 171 HA PRO 23 HA PRO 23 -0.037 21.693 17.205 172 1HB PRO 23 1HB PRO 23 0.895 24.266 16.321 173 2HB PRO 23 2HB PRO 23 0.882 22.745 15.426 174 1HG PRO 23 1HG PRO 23 -0.780 25.044 15.012 175 2HG PRO 23 2HG PRO 23 -0.808 23.516 14.131 176 1HD PRO 23 1HD PRO 23 -2.741 24.515 16.020 177 2HD PRO 23 2HD PRO 23 -2.789 22.989 15.114 178 H GLN 24 H GLN 24 -0.813 22.035 19.606 179 HA GLN 24 HA GLN 24 0.445 24.471 20.803 180 1HB GLN 24 1HB GLN 24 -1.813 24.279 21.463 181 2HB GLN 24 2HB GLN 24 -1.718 22.523 21.588 182 1HG GLN 24 1HG GLN 24 -0.277 22.719 23.565 183 2HG GLN 24 2HG GLN 24 -0.290 24.474 23.422 184 2HE2 GLN 24 2HE2 GLN 24 -2.648 21.749 23.655 185 1HE2 GLN 24 1HE2 GLN 24 -3.747 22.592 24.637 186 H ASP 25 H ASP 25 -0.138 21.209 22.072 187 HA ASP 25 HA ASP 25 2.787 20.772 22.409 188 1HB ASP 25 1HB ASP 25 0.696 21.165 24.538 189 2HB ASP 25 2HB ASP 25 2.068 20.105 24.861 190 H LYS 26 H LYS 26 1.710 19.275 20.607 191 HA LYS 26 HA LYS 26 0.016 17.106 21.261 192 1HB LYS 26 1HB LYS 26 2.220 17.584 19.259 193 2HB LYS 26 2HB LYS 26 1.338 16.057 19.286 194 1HG LYS 26 1HG LYS 26 -0.786 17.249 19.004 195 2HG LYS 26 2HG LYS 26 0.056 18.797 19.056 196 1HD LYS 26 1HD LYS 26 1.435 17.913 17.067 197 2HD LYS 26 2HD LYS 26 0.202 16.660 16.927 198 1HE LYS 26 1HE LYS 26 -1.542 18.345 16.622 199 2HE LYS 26 2HE LYS 26 -0.369 19.648 16.900 200 1HZ LYS 26 1HZ LYS 26 -0.180 17.583 14.762 201 2HZ LYS 26 2HZ LYS 26 -0.672 19.191 14.521 202 3HZ LYS 26 3HZ LYS 26 0.916 18.851 15.019 203 H LYS 27 H LYS 27 3.217 17.705 22.355 204 HA LYS 27 HA LYS 27 4.541 15.304 22.549 205 1HB LYS 27 1HB LYS 27 4.002 17.450 24.617 206 2HB LYS 27 2HB LYS 27 5.194 16.175 24.861 207 1HG LYS 27 1HG LYS 27 5.175 18.102 22.519 208 2HG LYS 27 2HG LYS 27 6.218 18.246 23.934 209 1HD LYS 27 1HD LYS 27 7.110 15.948 23.417 210 2HD LYS 27 2HD LYS 27 6.185 15.984 21.916 211 1HE LYS 27 1HE LYS 27 7.399 18.123 21.313 212 2HE LYS 27 2HE LYS 27 8.435 17.857 22.729 213 1HZ LYS 27 1HZ LYS 27 7.964 15.595 20.930 214 2HZ LYS 27 2HZ LYS 27 9.011 16.814 20.380 215 3HZ LYS 27 3HZ LYS 27 9.353 15.993 21.824 216 H PHE 28 H PHE 28 1.506 16.139 24.115 217 HA PHE 28 HA PHE 28 1.323 14.229 26.168 218 1HB PHE 28 1HB PHE 28 -0.844 15.019 24.194 219 2HB PHE 28 2HB PHE 28 -1.069 14.522 25.870 220 HD1 PHE 28 HD1 PHE 28 1.002 15.963 27.316 221 HD2 PHE 28 HD2 PHE 28 -1.453 17.282 24.047 222 HE1 PHE 28 HE1 PHE 28 1.283 18.315 28.053 223 HE2 PHE 28 HE2 PHE 28 -1.169 19.636 24.783 224 HZ PHE 28 HZ PHE 28 0.198 20.149 26.787 225 H PHE 29 H PHE 29 1.236 13.777 22.695 226 HA PHE 29 HA PHE 29 -0.072 11.402 22.237 227 1HB PHE 29 1HB PHE 29 1.273 12.773 20.634 228 2HB PHE 29 2HB PHE 29 2.742 12.090 21.331 229 HD1 PHE 29 HD1 PHE 29 -0.285 11.368 19.343 230 HD2 PHE 29 HD2 PHE 29 3.383 9.782 20.916 231 HE1 PHE 29 HE1 PHE 29 -0.505 9.391 17.862 232 HE2 PHE 29 HE2 PHE 29 3.164 7.805 19.436 233 HZ PHE 29 HZ PHE 29 1.220 7.610 17.908 234 H GLN 30 H GLN 30 2.836 11.818 24.158 235 HA GLN 30 HA GLN 30 3.736 9.098 24.209 236 1HB GLN 30 1HB GLN 30 3.971 11.492 26.041 237 2HB GLN 30 2HB GLN 30 4.786 9.969 26.395 238 1HG GLN 30 1HG GLN 30 5.637 10.172 23.917 239 2HG GLN 30 2HG GLN 30 5.245 11.879 24.121 240 2HE2 GLN 30 2HE2 GLN 30 7.046 13.044 24.783 241 1HE2 GLN 30 1HE2 GLN 30 8.256 12.469 25.825 242 H SER 31 H SER 31 0.870 10.447 25.430 243 HA SER 31 HA SER 31 0.544 8.131 27.313 244 1HB SER 31 1HB SER 31 0.928 10.191 28.559 245 2HB SER 31 2HB SER 31 -0.296 11.033 27.607 246 HG SER 31 HG SER 31 -1.851 10.014 28.648 247 H LEU 32 H LEU 32 -1.597 7.238 27.356 248 HA LEU 32 HA LEU 32 -3.080 7.068 25.011 249 1HB LEU 32 1HB LEU 32 -3.291 5.710 27.115 250 2HB LEU 32 2HB LEU 32 -4.182 7.052 27.831 251 HG LEU 32 HG LEU 32 -5.965 6.836 26.261 252 1HD1 LEU 32 1HD1 LEU 32 -4.085 4.986 24.769 253 2HD1 LEU 32 2HD1 LEU 32 -5.799 5.146 24.384 254 3HD1 LEU 32 3HD1 LEU 32 -4.723 6.534 24.215 255 1HD2 LEU 32 1HD2 LEU 32 -5.918 5.107 28.046 256 2HD2 LEU 32 2HD2 LEU 32 -6.689 4.514 26.576 257 3HD2 LEU 32 3HD2 LEU 32 -5.036 4.034 26.960 258 H ASP 33 H ASP 33 -3.895 9.193 27.772 259 HA ASP 33 HA ASP 33 -6.060 10.572 26.633 260 1HB ASP 33 1HB ASP 33 -3.822 11.372 28.511 261 2HB ASP 33 2HB ASP 33 -5.149 12.471 28.137 262 H GLY 34 H GLY 34 -2.581 11.063 26.224 263 1HA GLY 34 1HA GLY 34 -1.404 12.460 24.732 264 2HA GLY 34 2HA GLY 34 -2.880 13.401 24.524 265 H ILE 35 H ILE 35 -2.315 9.936 24.007 266 HA ILE 35 HA ILE 35 -2.122 9.933 21.186 267 HB ILE 35 HB ILE 35 -3.005 8.045 23.341 268 1HG1 ILE 35 1HG1 ILE 35 -0.627 8.329 22.843 269 2HG1 ILE 35 2HG1 ILE 35 -1.143 6.713 22.358 270 1HG2 ILE 35 1HG2 ILE 35 -3.702 7.816 20.448 271 2HG2 ILE 35 2HG2 ILE 35 -3.096 6.364 21.246 272 3HG2 ILE 35 3HG2 ILE 35 -4.540 7.170 21.859 273 1HD1 ILE 35 1HD1 ILE 35 -1.614 8.476 20.159 274 2HD1 ILE 35 2HD1 ILE 35 0.030 8.756 20.734 275 3HD1 ILE 35 3HD1 ILE 35 -0.470 7.136 20.252 276 H MET 36 H MET 36 -4.943 10.049 23.327 277 HA MET 36 HA MET 36 -6.895 9.822 21.176 278 1HB MET 36 1HB MET 36 -6.815 10.407 24.097 279 2HB MET 36 2HB MET 36 -8.240 10.949 23.212 280 1HG MET 36 1HG MET 36 -7.138 8.121 23.205 281 2HG MET 36 2HG MET 36 -8.558 8.660 24.103 282 1HE MET 36 1HE MET 36 -10.553 9.638 23.209 283 2HE MET 36 2HE MET 36 -11.354 8.940 21.795 284 3HE MET 36 3HE MET 36 -10.837 7.901 23.122 285 H PHE 37 H PHE 37 -6.213 12.605 23.353 286 HA PHE 37 HA PHE 37 -7.532 14.592 21.935 287 1HB PHE 37 1HB PHE 37 -6.600 15.724 23.656 288 2HB PHE 37 2HB PHE 37 -5.534 14.359 23.974 289 HD1 PHE 37 HD1 PHE 37 -3.285 14.257 22.921 290 HD2 PHE 37 HD2 PHE 37 -5.812 17.698 22.533 291 HE1 PHE 37 HE1 PHE 37 -1.346 15.588 22.151 292 HE2 PHE 37 HE2 PHE 37 -3.873 19.034 21.756 293 HZ PHE 37 HZ PHE 37 -1.643 17.969 21.561 294 H ILE 38 H ILE 38 -4.134 13.539 21.359 295 HA ILE 38 HA ILE 38 -3.472 15.182 19.201 296 HB ILE 38 HB ILE 38 -2.948 12.244 19.734 297 1HG1 ILE 38 1HG1 ILE 38 -2.061 13.918 21.360 298 2HG1 ILE 38 2HG1 ILE 38 -0.782 13.052 20.515 299 1HG2 ILE 38 1HG2 ILE 38 -2.721 12.909 17.290 300 2HG2 ILE 38 2HG2 ILE 38 -1.461 14.034 17.797 301 3HG2 ILE 38 3HG2 ILE 38 -1.243 12.300 18.037 302 1HD1 ILE 38 1HD1 ILE 38 -0.741 14.975 18.851 303 2HD1 ILE 38 2HD1 ILE 38 -1.788 15.853 19.965 304 3HD1 ILE 38 3HD1 ILE 38 -0.170 15.369 20.471 305 H ASN 39 H ASN 39 -5.415 12.201 19.183 306 HA ASN 39 HA ASN 39 -5.836 12.168 16.316 307 1HB ASN 39 1HB ASN 39 -7.473 10.968 18.573 308 2HB ASN 39 2HB ASN 39 -7.457 10.429 16.894 309 2HD2 ASN 39 2HD2 ASN 39 -4.354 11.119 17.057 310 1HD2 ASN 39 1HD2 ASN 39 -3.713 9.714 17.758 311 H LYS 40 H LYS 40 -7.505 13.647 19.046 312 HA LYS 40 HA LYS 40 -9.839 14.429 17.434 313 1HB LYS 40 1HB LYS 40 -8.858 14.727 20.257 314 2HB LYS 40 2HB LYS 40 -10.192 15.736 19.700 315 1HG LYS 40 1HG LYS 40 -11.407 13.689 18.982 316 2HG LYS 40 2HG LYS 40 -10.089 12.705 19.618 317 1HD LYS 40 1HD LYS 40 -11.276 12.711 21.554 318 2HD LYS 40 2HD LYS 40 -10.660 14.351 21.751 319 1HE LYS 40 1HE LYS 40 -12.668 15.328 21.046 320 2HE LYS 40 2HE LYS 40 -13.149 13.897 20.115 321 1HZ LYS 40 1HZ LYS 40 -12.688 13.504 22.965 322 2HZ LYS 40 2HZ LYS 40 -14.069 14.408 22.560 323 3HZ LYS 40 3HZ LYS 40 -13.876 12.829 21.960 324 H CYS 41 H CYS 41 -6.715 15.730 18.185 325 HA CYS 41 HA CYS 41 -7.158 18.520 18.129 326 1HB CYS 41 1HB CYS 41 -5.036 16.882 18.343 327 2HB CYS 41 2HB CYS 41 -4.833 17.361 16.658 328 H ALA 42 H ALA 42 -6.085 16.571 15.313 329 HA ALA 42 HA ALA 42 -6.884 18.636 13.423 330 1HB ALA 42 1HB ALA 42 -6.300 15.732 12.829 331 2HB ALA 42 2HB ALA 42 -5.936 17.145 11.838 332 3HB ALA 42 3HB ALA 42 -5.017 16.842 13.312 333 H THR 43 H THR 43 -8.331 15.673 14.685 334 HA THR 43 HA THR 43 -10.416 15.413 12.707 335 HB THR 43 HB THR 43 -10.203 14.514 15.600 336 HG1 THR 43 HG1 THR 43 -9.384 13.456 13.121 337 1HG2 THR 43 1HG2 THR 43 -12.475 14.510 14.120 338 2HG2 THR 43 2HG2 THR 43 -11.770 12.976 13.608 339 3HG2 THR 43 3HG2 THR 43 -12.097 13.269 15.316 340 H CYS 44 H CYS 44 -10.118 17.235 15.724 341 HA CYS 44 HA CYS 44 -12.963 18.003 15.723 342 1HB CYS 44 1HB CYS 44 -10.535 18.754 17.380 343 2HB CYS 44 2HB CYS 44 -12.165 19.337 17.715 344 H LYS 45 H LYS 45 -9.805 19.509 15.042 345 HA LYS 45 HA LYS 45 -10.620 22.185 14.650 346 1HB LYS 45 1HB LYS 45 -8.299 21.482 14.682 347 2HB LYS 45 2HB LYS 45 -8.545 20.448 13.276 348 1HG LYS 45 1HG LYS 45 -9.373 22.772 12.217 349 2HG LYS 45 2HG LYS 45 -8.262 23.413 13.427 350 1HD LYS 45 1HD LYS 45 -7.574 21.299 11.363 351 2HD LYS 45 2HD LYS 45 -7.112 22.999 11.271 352 1HE LYS 45 1HE LYS 45 -6.372 21.247 13.635 353 2HE LYS 45 2HE LYS 45 -5.319 21.444 12.220 354 1HZ LYS 45 1HZ LYS 45 -5.855 23.948 12.592 355 2HZ LYS 45 2HZ LYS 45 -6.209 23.459 14.180 356 3HZ LYS 45 3HZ LYS 45 -4.658 23.204 13.535 357 H MET 46 H MET 46 -10.536 19.491 12.298 358 HA MET 46 HA MET 46 -11.470 20.912 10.023 359 1HB MET 46 1HB MET 46 -12.254 18.551 9.384 360 2HB MET 46 2HB MET 46 -10.551 18.713 9.812 361 1HG MET 46 1HG MET 46 -10.836 17.190 11.443 362 2HG MET 46 2HG MET 46 -11.994 18.263 12.227 363 1HE MET 46 1HE MET 46 -11.505 16.595 9.078 364 2HE MET 46 2HE MET 46 -12.416 15.089 9.152 365 3HE MET 46 3HE MET 46 -13.162 16.546 8.482 366 H ILE 47 H ILE 47 -13.206 19.550 12.783 367 HA ILE 47 HA ILE 47 -15.852 19.533 11.774 368 HB ILE 47 HB ILE 47 -14.890 20.333 14.542 369 1HG1 ILE 47 1HG1 ILE 47 -13.752 18.305 14.050 370 2HG1 ILE 47 2HG1 ILE 47 -15.182 17.810 14.952 371 1HG2 ILE 47 1HG2 ILE 47 -17.374 20.529 13.870 372 2HG2 ILE 47 2HG2 ILE 47 -17.362 18.767 13.801 373 3HG2 ILE 47 3HG2 ILE 47 -17.004 19.592 15.318 374 1HD1 ILE 47 1HD1 ILE 47 -15.002 17.860 11.925 375 2HD1 ILE 47 2HD1 ILE 47 -14.784 16.415 12.912 376 3HD1 ILE 47 3HD1 ILE 47 -16.343 17.240 12.888 377 H LEU 48 H LEU 48 -13.898 22.188 13.093 378 HA LEU 48 HA LEU 48 -15.997 24.169 13.093 379 1HB LEU 48 1HB LEU 48 -12.968 24.325 12.940 380 2HB LEU 48 2HB LEU 48 -14.019 25.703 13.274 381 HG LEU 48 HG LEU 48 -14.630 23.397 14.966 382 1HD1 LEU 48 1HD1 LEU 48 -11.834 24.524 14.889 383 2HD1 LEU 48 2HD1 LEU 48 -12.513 23.887 16.386 384 3HD1 LEU 48 3HD1 LEU 48 -12.339 22.837 14.980 385 1HD2 LEU 48 1HD2 LEU 48 -15.322 25.860 15.172 386 2HD2 LEU 48 2HD2 LEU 48 -14.756 25.077 16.647 387 3HD2 LEU 48 3HD2 LEU 48 -13.685 26.158 15.756 388 H GLU 49 H GLU 49 -13.478 23.250 10.737 389 HA GLU 49 HA GLU 49 -13.779 25.249 8.805 390 1HB GLU 49 1HB GLU 49 -13.404 22.248 8.551 391 2HB GLU 49 2HB GLU 49 -13.156 23.376 7.218 392 1HG GLU 49 1HG GLU 49 -11.525 24.617 8.729 393 2HG GLU 49 2HG GLU 49 -11.642 23.251 9.838 394 H LYS 50 H LYS 50 -16.033 22.758 9.738 395 HA LYS 50 HA LYS 50 -17.687 22.914 7.333 396 1HB LYS 50 1HB LYS 50 -18.394 21.885 10.095 397 2HB LYS 50 2HB LYS 50 -19.070 21.367 8.551 398 1HG LYS 50 1HG LYS 50 -16.493 20.848 8.040 399 2HG LYS 50 2HG LYS 50 -16.442 20.693 9.796 400 1HD LYS 50 1HD LYS 50 -17.972 18.912 9.808 401 2HD LYS 50 2HD LYS 50 -18.612 19.327 8.219 402 1HE LYS 50 1HE LYS 50 -16.803 18.354 7.092 403 2HE LYS 50 2HE LYS 50 -15.722 18.519 8.489 404 1HZ LYS 50 1HZ LYS 50 -18.168 16.834 8.517 405 2HZ LYS 50 2HZ LYS 50 -16.640 16.219 8.104 406 3HZ LYS 50 3HZ LYS 50 -16.907 16.851 9.654 407 H GLU 51 H GLU 51 -17.607 24.467 10.509 408 HA GLU 51 HA GLU 51 -20.229 25.597 10.521 409 1HB GLU 51 1HB GLU 51 -17.587 26.577 11.652 410 2HB GLU 51 2HB GLU 51 -19.174 27.168 12.147 411 1HG GLU 51 1HG GLU 51 -19.803 24.909 12.884 412 2HG GLU 51 2HG GLU 51 -18.243 24.286 12.347 413 H ALA 52 H ALA 52 -17.369 26.416 8.705 414 HA ALA 52 HA ALA 52 -18.116 29.168 8.109 415 1HB ALA 52 1HB ALA 52 -16.131 27.135 7.105 416 2HB ALA 52 2HB ALA 52 -16.315 28.684 6.282 417 3HB ALA 52 3HB ALA 52 -15.822 28.637 7.975 418 H LYS 53 H LYS 53 -18.940 26.037 6.819 419 HA LYS 53 HA LYS 53 -19.813 27.036 4.204 420 1HB LYS 53 1HB LYS 53 -20.102 24.429 5.724 421 2HB LYS 53 2HB LYS 53 -20.677 24.656 4.073 422 1HG LYS 53 1HG LYS 53 -18.394 25.245 3.352 423 2HG LYS 53 2HG LYS 53 -17.815 25.036 5.005 424 1HD LYS 53 1HD LYS 53 -18.474 22.671 4.959 425 2HD LYS 53 2HD LYS 53 -19.121 22.869 3.330 426 1HE LYS 53 1HE LYS 53 -16.841 23.509 2.532 427 2HE LYS 53 2HE LYS 53 -16.214 23.200 4.163 428 1HZ LYS 53 1HZ LYS 53 -17.575 20.988 3.828 429 2HZ LYS 53 2HZ LYS 53 -17.284 21.313 2.186 430 3HZ LYS 53 3HZ LYS 53 -15.981 21.127 3.255 431 H SER 54 H SER 54 -21.255 26.427 7.357 432 HA SER 54 HA SER 54 -23.473 26.726 8.133 433 1HB SER 54 1HB SER 54 -23.379 28.761 5.880 434 2HB SER 54 2HB SER 54 -24.437 28.818 7.291 435 HG SER 54 HG SER 54 -22.263 30.005 7.224 436 H GLN 55 H GLN 55 -23.336 24.533 6.427 437 HA GLN 55 HA GLN 55 -25.615 24.859 4.519 438 1HB GLN 55 1HB GLN 55 -23.485 22.725 4.881 439 2HB GLN 55 2HB GLN 55 -24.723 22.701 3.625 440 1HG GLN 55 1HG GLN 55 -22.942 25.107 3.951 441 2HG GLN 55 2HG GLN 55 -22.375 23.698 3.055 442 2HE2 GLN 55 2HE2 GLN 55 -22.882 26.258 1.794 443 1HE2 GLN 55 1HE2 GLN 55 -24.180 26.057 0.719 No H/Q in entry = 443 Start of MODEL 21 1 H1 LYS 1 H1 LYS 1 -28.672 15.758 20.859 2 H2 LYS 1 H2 LYS 1 -29.770 14.953 19.849 3 H3 LYS 1 H3 LYS 1 -29.008 14.112 21.113 4 HA LYS 1 HA LYS 1 -26.934 14.108 20.037 5 1HB LYS 1 1HB LYS 1 -29.234 13.741 18.089 6 2HB LYS 1 2HB LYS 1 -27.610 13.098 17.846 7 1HG LYS 1 1HG LYS 1 -27.802 11.776 19.905 8 2HG LYS 1 2HG LYS 1 -29.401 12.454 20.208 9 1HD LYS 1 1HD LYS 1 -30.284 11.422 18.200 10 2HD LYS 1 2HD LYS 1 -28.675 10.885 17.718 11 1HE LYS 1 1HE LYS 1 -28.549 9.417 19.692 12 2HE LYS 1 2HE LYS 1 -30.143 9.985 20.227 13 1HZ LYS 1 1HZ LYS 1 -30.774 9.368 17.778 14 2HZ LYS 1 2HZ LYS 1 -29.434 8.329 17.901 15 3HZ LYS 1 3HZ LYS 1 -30.735 8.166 18.977 16 H ASN 2 H ASN 2 -25.707 15.965 19.700 17 HA ASN 2 HA ASN 2 -26.574 18.210 18.095 18 1HB ASN 2 1HB ASN 2 -23.853 17.282 19.073 19 2HB ASN 2 2HB ASN 2 -24.190 18.886 18.421 20 2HD2 ASN 2 2HD2 ASN 2 -26.070 20.080 19.621 21 1HD2 ASN 2 1HD2 ASN 2 -26.143 19.878 21.305 22 H GLU 3 H GLU 3 -25.655 18.852 16.017 23 HA GLU 3 HA GLU 3 -25.439 16.682 14.109 24 1HB GLU 3 1HB GLU 3 -25.026 19.680 14.037 25 2HB GLU 3 2HB GLU 3 -24.888 18.674 12.595 26 1HG GLU 3 1HG GLU 3 -27.183 17.896 12.872 27 2HG GLU 3 2HG GLU 3 -27.330 18.776 14.393 28 H ASP 4 H ASP 4 -23.141 18.496 16.007 29 HA ASP 4 HA ASP 4 -20.813 18.030 14.348 30 1HB ASP 4 1HB ASP 4 -21.291 18.730 17.255 31 2HB ASP 4 2HB ASP 4 -19.675 18.647 16.552 32 H GLN 5 H GLN 5 -22.419 16.241 16.927 33 HA GLN 5 HA GLN 5 -22.108 14.019 17.666 34 1HB GLN 5 1HB GLN 5 -22.050 13.791 15.127 35 2HB GLN 5 2HB GLN 5 -20.292 13.802 15.256 36 1HG GLN 5 1HG GLN 5 -20.368 11.846 16.738 37 2HG GLN 5 2HG GLN 5 -22.131 11.848 16.669 38 2HE2 GLN 5 2HE2 GLN 5 -19.267 11.650 14.483 39 1HE2 GLN 5 1HE2 GLN 5 -20.021 10.642 13.344 40 H GLU 6 H GLU 6 -18.943 14.699 16.168 41 HA GLU 6 HA GLU 6 -17.379 13.559 18.242 42 1HB GLU 6 1HB GLU 6 -16.837 15.747 16.212 43 2HB GLU 6 2HB GLU 6 -15.575 14.973 17.171 44 1HG GLU 6 1HG GLU 6 -17.481 13.547 15.290 45 2HG GLU 6 2HG GLU 6 -15.785 13.900 14.956 46 H MET 7 H MET 7 -18.781 16.774 17.919 47 HA MET 7 HA MET 7 -18.866 18.581 19.442 48 1HB MET 7 1HB MET 7 -19.727 16.559 20.746 49 2HB MET 7 2HB MET 7 -18.113 16.438 21.447 50 1HG MET 7 1HG MET 7 -18.352 18.857 22.163 51 2HG MET 7 2HG MET 7 -20.041 18.764 21.664 52 1HE MET 7 1HE MET 7 -19.769 19.801 23.916 53 2HE MET 7 2HE MET 7 -20.587 18.929 25.212 54 3HE MET 7 3HE MET 7 -18.828 19.033 25.202 55 H CYS 8 H CYS 8 -17.106 19.912 19.003 56 HA CYS 8 HA CYS 8 -14.355 19.134 19.590 57 1HB CYS 8 1HB CYS 8 -15.877 21.338 18.360 58 2HB CYS 8 2HB CYS 8 -14.399 21.859 19.170 59 H HIS 9 H HIS 9 -16.828 19.975 21.616 60 HA HIS 9 HA HIS 9 -16.095 21.992 23.340 61 1HB HIS 9 1HB HIS 9 -18.034 20.497 23.599 62 2HB HIS 9 2HB HIS 9 -16.962 19.166 24.035 63 HD1 HIS 9 HD1 HIS 9 -17.997 22.604 25.286 64 HD2 HIS 9 HD2 HIS 9 -16.264 19.100 26.730 65 HE1 HIS 9 HE1 HIS 9 -17.805 22.882 27.795 66 H GLU 10 H GLU 10 -14.636 18.733 23.226 67 HA GLU 10 HA GLU 10 -12.914 18.925 25.462 68 1HB GLU 10 1HB GLU 10 -12.735 17.560 22.767 69 2HB GLU 10 2HB GLU 10 -11.529 17.299 24.027 70 1HG GLU 10 1HG GLU 10 -14.509 16.781 24.260 71 2HG GLU 10 2HG GLU 10 -13.241 15.559 24.169 72 H PHE 11 H PHE 11 -12.398 20.007 22.097 73 HA PHE 11 HA PHE 11 -9.788 21.206 22.873 74 1HB PHE 11 1HB PHE 11 -11.231 20.454 20.361 75 2HB PHE 11 2HB PHE 11 -9.988 21.697 20.265 76 HD1 PHE 11 HD1 PHE 11 -10.427 18.414 22.053 77 HD2 PHE 11 HD2 PHE 11 -7.887 20.918 19.660 78 HE1 PHE 11 HE1 PHE 11 -8.671 16.667 22.087 79 HE2 PHE 11 HE2 PHE 11 -6.130 19.172 19.701 80 HZ PHE 11 HZ PHE 11 -6.521 17.051 20.912 81 H GLN 12 H GLN 12 -13.066 22.105 22.616 82 HA GLN 12 HA GLN 12 -13.136 24.648 21.489 83 1HB GLN 12 1HB GLN 12 -15.069 23.523 22.466 84 2HB GLN 12 2HB GLN 12 -14.355 23.625 24.076 85 1HG GLN 12 1HG GLN 12 -15.650 25.514 24.205 86 2HG GLN 12 2HG GLN 12 -14.271 26.238 23.378 87 2HE2 GLN 12 2HE2 GLN 12 -16.996 27.206 23.074 88 1HE2 GLN 12 1HE2 GLN 12 -17.450 26.956 21.458 89 H ALA 13 H ALA 13 -11.578 23.642 24.478 90 HA ALA 13 HA ALA 13 -11.143 26.303 25.545 91 1HB ALA 13 1HB ALA 13 -9.178 24.317 26.321 92 2HB ALA 13 2HB ALA 13 -10.479 25.017 27.284 93 3HB ALA 13 3HB ALA 13 -10.789 23.598 26.283 94 H PHE 14 H PHE 14 -9.549 24.308 23.157 95 HA PHE 14 HA PHE 14 -7.070 25.914 23.196 96 1HB PHE 14 1HB PHE 14 -7.991 23.718 21.318 97 2HB PHE 14 2HB PHE 14 -6.336 24.246 21.606 98 HD1 PHE 14 HD1 PHE 14 -6.500 24.600 24.608 99 HD2 PHE 14 HD2 PHE 14 -7.854 21.442 22.032 100 HE1 PHE 14 HE1 PHE 14 -6.309 22.988 26.484 101 HE2 PHE 14 HE2 PHE 14 -7.665 19.830 23.907 102 HZ PHE 14 HZ PHE 14 -6.892 20.603 26.132 103 H MET 15 H MET 15 -9.930 26.857 22.278 104 HA MET 15 HA MET 15 -9.343 27.577 19.462 105 1HB MET 15 1HB MET 15 -11.670 28.091 19.388 106 2HB MET 15 2HB MET 15 -11.550 26.651 20.391 107 1HG MET 15 1HG MET 15 -11.467 28.219 22.401 108 2HG MET 15 2HG MET 15 -11.924 29.513 21.295 109 1HE MET 15 1HE MET 15 -13.310 29.621 23.269 110 2HE MET 15 2HE MET 15 -14.908 29.803 22.532 111 3HE MET 15 3HE MET 15 -14.626 28.547 23.735 112 H LYS 16 H LYS 16 -8.281 29.482 19.097 113 HA LYS 16 HA LYS 16 -8.292 31.589 21.197 114 1HB LYS 16 1HB LYS 16 -6.176 30.753 20.205 115 2HB LYS 16 2HB LYS 16 -6.734 31.261 18.611 116 1HG LYS 16 1HG LYS 16 -6.927 33.604 19.494 117 2HG LYS 16 2HG LYS 16 -6.198 33.048 21.002 118 1HD LYS 16 1HD LYS 16 -4.215 32.260 19.703 119 2HD LYS 16 2HD LYS 16 -4.934 32.944 18.246 120 1HE LYS 16 1HE LYS 16 -4.848 35.187 19.186 121 2HE LYS 16 2HE LYS 16 -4.307 34.549 20.751 122 1HZ LYS 16 1HZ LYS 16 -2.835 33.789 18.326 123 2HZ LYS 16 2HZ LYS 16 -2.577 35.341 18.960 124 3HZ LYS 16 3HZ LYS 16 -2.269 33.971 19.917 125 H ASN 17 H ASN 17 -10.447 32.433 20.821 126 HA ASN 17 HA ASN 17 -11.936 33.982 19.836 127 1HB ASN 17 1HB ASN 17 -9.602 35.093 19.599 128 2HB ASN 17 2HB ASN 17 -9.691 34.589 17.911 129 2HD2 ASN 17 2HD2 ASN 17 -10.124 37.287 19.628 130 1HD2 ASN 17 1HD2 ASN 17 -11.454 37.978 18.832 131 H GLY 18 H GLY 18 -12.328 31.407 19.009 132 1HA GLY 18 1HA GLY 18 -13.373 31.788 16.306 133 2HA GLY 18 2HA GLY 18 -13.566 30.342 17.296 134 H LYS 19 H LYS 19 -10.339 31.100 17.367 135 HA LYS 19 HA LYS 19 -9.720 29.576 14.866 136 1HB LYS 19 1HB LYS 19 -8.815 31.944 15.498 137 2HB LYS 19 2HB LYS 19 -7.758 31.065 16.603 138 1HG LYS 19 1HG LYS 19 -7.985 30.555 13.620 139 2HG LYS 19 2HG LYS 19 -6.672 31.433 14.405 140 1HD LYS 19 1HD LYS 19 -6.299 29.341 15.822 141 2HD LYS 19 2HD LYS 19 -7.393 28.509 14.717 142 1HE LYS 19 1HE LYS 19 -5.854 28.495 13.011 143 2HE LYS 19 2HE LYS 19 -5.216 30.093 13.443 144 1HZ LYS 19 1HZ LYS 19 -4.846 27.677 15.132 145 2HZ LYS 19 2HZ LYS 19 -3.710 28.164 13.970 146 3HZ LYS 19 3HZ LYS 19 -4.065 29.178 15.286 147 H LEU 20 H LEU 20 -9.775 27.407 15.498 148 HA LEU 20 HA LEU 20 -8.689 26.531 18.078 149 1HB LEU 20 1HB LEU 20 -10.620 25.429 17.139 150 2HB LEU 20 2HB LEU 20 -9.787 25.156 15.612 151 HG LEU 20 HG LEU 20 -9.957 23.175 17.287 152 1HD1 LEU 20 1HD1 LEU 20 -8.299 23.681 15.243 153 2HD1 LEU 20 2HD1 LEU 20 -7.109 23.650 16.543 154 3HD1 LEU 20 3HD1 LEU 20 -8.129 22.242 16.248 155 1HD2 LEU 20 1HD2 LEU 20 -9.221 24.529 19.254 156 2HD2 LEU 20 2HD2 LEU 20 -8.216 23.104 18.991 157 3HD2 LEU 20 3HD2 LEU 20 -7.633 24.696 18.506 158 H PHE 21 H PHE 21 -6.492 26.412 18.327 159 HA PHE 21 HA PHE 21 -4.801 25.841 15.946 160 1HB PHE 21 1HB PHE 21 -2.973 26.427 17.686 161 2HB PHE 21 2HB PHE 21 -4.039 27.725 17.160 162 HD1 PHE 21 HD1 PHE 21 -3.213 25.418 19.927 163 HD2 PHE 21 HD2 PHE 21 -5.697 28.684 18.654 164 HE1 PHE 21 HE1 PHE 21 -3.901 25.811 22.275 165 HE2 PHE 21 HE2 PHE 21 -6.378 29.080 21.006 166 HZ PHE 21 HZ PHE 21 -5.481 27.643 22.815 167 H CYS 22 H CYS 22 -5.329 23.569 15.806 168 HA CYS 22 HA CYS 22 -5.252 21.652 17.838 169 1HB CYS 22 1HB CYS 22 -5.995 21.008 15.702 170 2HB CYS 22 2HB CYS 22 -4.565 21.645 14.903 171 HA PRO 23 HA PRO 23 -0.469 21.179 17.075 172 1HB PRO 23 1HB PRO 23 0.501 23.790 16.359 173 2HB PRO 23 2HB PRO 23 0.602 22.296 15.425 174 1HG PRO 23 1HG PRO 23 -1.048 24.582 14.910 175 2HG PRO 23 2HG PRO 23 -0.969 23.077 13.992 176 1HD PRO 23 1HD PRO 23 -3.087 24.003 15.719 177 2HD PRO 23 2HD PRO 23 -3.029 22.507 14.764 178 H GLN 24 H GLN 24 -1.121 21.259 19.414 179 HA GLN 24 HA GLN 24 0.031 23.666 20.784 180 1HB GLN 24 1HB GLN 24 -2.430 23.666 20.872 181 2HB GLN 24 2HB GLN 24 -2.419 22.018 21.499 182 1HG GLN 24 1HG GLN 24 -1.041 22.871 23.445 183 2HG GLN 24 2HG GLN 24 -1.338 24.505 22.852 184 2HE2 GLN 24 2HE2 GLN 24 -3.374 21.552 23.354 185 1HE2 GLN 24 1HE2 GLN 24 -4.623 22.378 24.155 186 H ASP 25 H ASP 25 1.985 22.186 20.761 187 HA ASP 25 HA ASP 25 3.435 20.689 21.869 188 1HB ASP 25 1HB ASP 25 2.846 22.069 23.768 189 2HB ASP 25 2HB ASP 25 1.303 21.241 23.951 190 H LYS 26 H LYS 26 1.901 19.381 20.078 191 HA LYS 26 HA LYS 26 0.085 17.401 20.942 192 1HB LYS 26 1HB LYS 26 1.982 17.813 18.670 193 2HB LYS 26 2HB LYS 26 1.235 16.225 18.838 194 1HG LYS 26 1HG LYS 26 -0.986 17.197 18.767 195 2HG LYS 26 2HG LYS 26 -0.320 18.828 18.813 196 1HD LYS 26 1HD LYS 26 0.839 18.364 16.645 197 2HD LYS 26 2HD LYS 26 0.036 16.796 16.588 198 1HE LYS 26 1HE LYS 26 -2.172 17.926 16.615 199 2HE LYS 26 2HE LYS 26 -1.354 19.501 16.652 200 1HZ LYS 26 1HZ LYS 26 -0.165 18.842 14.617 201 2HZ LYS 26 2HZ LYS 26 -1.059 17.398 14.564 202 3HZ LYS 26 3HZ LYS 26 -1.843 18.894 14.374 203 H LYS 27 H LYS 27 3.439 17.648 21.635 204 HA LYS 27 HA LYS 27 4.532 15.132 21.691 205 1HB LYS 27 1HB LYS 27 4.432 17.213 23.896 206 2HB LYS 27 2HB LYS 27 5.604 15.900 23.823 207 1HG LYS 27 1HG LYS 27 5.246 18.134 21.806 208 2HG LYS 27 2HG LYS 27 6.631 17.878 22.867 209 1HD LYS 27 1HD LYS 27 6.929 15.618 21.737 210 2HD LYS 27 2HD LYS 27 5.732 16.145 20.553 211 1HE LYS 27 1HE LYS 27 7.128 17.963 19.821 212 2HE LYS 27 2HE LYS 27 8.239 17.738 21.187 213 1HZ LYS 27 1HZ LYS 27 7.632 15.552 19.282 214 2HZ LYS 27 2HZ LYS 27 8.883 16.662 18.981 215 3HZ LYS 27 3HZ LYS 27 8.934 15.673 20.362 216 H PHE 28 H PHE 28 1.772 16.220 23.565 217 HA PHE 28 HA PHE 28 1.550 14.502 25.704 218 1HB PHE 28 1HB PHE 28 -0.655 14.920 23.670 219 2HB PHE 28 2HB PHE 28 -0.828 14.734 25.413 220 HD1 PHE 28 HD1 PHE 28 1.347 16.517 26.392 221 HD2 PHE 28 HD2 PHE 28 -1.506 17.068 23.232 222 HE1 PHE 28 HE1 PHE 28 1.529 18.978 26.653 223 HE2 PHE 28 HE2 PHE 28 -1.327 19.523 23.492 224 HZ PHE 28 HZ PHE 28 0.193 20.482 25.198 225 H PHE 29 H PHE 29 1.418 13.650 22.302 226 HA PHE 29 HA PHE 29 0.198 11.186 22.160 227 1HB PHE 29 1HB PHE 29 1.395 12.407 20.352 228 2HB PHE 29 2HB PHE 29 2.933 11.931 21.072 229 HD1 PHE 29 HD1 PHE 29 3.171 9.318 21.547 230 HD2 PHE 29 HD2 PHE 29 0.500 11.065 18.671 231 HE1 PHE 29 HE1 PHE 29 3.073 7.161 20.326 232 HE2 PHE 29 HE2 PHE 29 0.403 8.908 17.451 233 HZ PHE 29 HZ PHE 29 1.690 6.956 18.278 234 H GLN 30 H GLN 30 3.138 11.942 23.920 235 HA GLN 30 HA GLN 30 4.206 9.306 24.216 236 1HB GLN 30 1HB GLN 30 4.315 11.897 25.756 237 2HB GLN 30 2HB GLN 30 5.166 10.467 26.342 238 1HG GLN 30 1HG GLN 30 6.055 10.358 23.858 239 2HG GLN 30 2HG GLN 30 5.644 12.073 23.854 240 2HE2 GLN 30 2HE2 GLN 30 7.245 13.437 24.656 241 1HE2 GLN 30 1HE2 GLN 30 8.513 12.955 25.675 242 H SER 31 H SER 31 1.290 10.605 25.397 243 HA SER 31 HA SER 31 1.078 8.364 27.373 244 1HB SER 31 1HB SER 31 0.308 11.279 27.713 245 2HB SER 31 2HB SER 31 -0.094 10.005 28.865 246 HG SER 31 HG SER 31 1.930 11.305 29.165 247 H LEU 32 H LEU 32 -1.019 7.452 27.503 248 HA LEU 32 HA LEU 32 -2.697 7.371 25.285 249 1HB LEU 32 1HB LEU 32 -2.607 6.143 27.647 250 2HB LEU 32 2HB LEU 32 -3.892 7.291 28.026 251 HG LEU 32 HG LEU 32 -3.979 5.643 25.501 252 1HD1 LEU 32 1HD1 LEU 32 -4.370 4.772 28.293 253 2HD1 LEU 32 2HD1 LEU 32 -5.713 4.388 27.217 254 3HD1 LEU 32 3HD1 LEU 32 -4.090 3.808 26.843 255 1HD2 LEU 32 1HD2 LEU 32 -5.972 7.139 27.217 256 2HD2 LEU 32 2HD2 LEU 32 -5.554 7.438 25.531 257 3HD2 LEU 32 3HD2 LEU 32 -6.472 5.998 25.969 258 H ASP 33 H ASP 33 -3.341 9.318 28.216 259 HA ASP 33 HA ASP 33 -5.564 10.763 27.290 260 1HB ASP 33 1HB ASP 33 -3.234 11.495 29.090 261 2HB ASP 33 2HB ASP 33 -4.658 12.521 28.916 262 H GLY 34 H GLY 34 -2.118 11.273 26.709 263 1HA GLY 34 1HA GLY 34 -1.013 12.800 25.288 264 2HA GLY 34 2HA GLY 34 -2.484 13.774 25.275 265 H ILE 35 H ILE 35 -2.063 10.369 24.372 266 HA ILE 35 HA ILE 35 -2.042 10.698 21.546 267 HB ILE 35 HB ILE 35 -2.737 8.556 23.527 268 1HG1 ILE 35 1HG1 ILE 35 -0.391 9.154 22.759 269 2HG1 ILE 35 2HG1 ILE 35 -0.838 7.462 22.539 270 1HG2 ILE 35 1HG2 ILE 35 -3.310 8.449 20.555 271 2HG2 ILE 35 2HG2 ILE 35 -3.094 7.001 21.539 272 3HG2 ILE 35 3HG2 ILE 35 -4.423 8.108 21.880 273 1HD1 ILE 35 1HD1 ILE 35 -1.197 9.525 20.356 274 2HD1 ILE 35 2HD1 ILE 35 0.293 8.599 20.540 275 3HD1 ILE 35 3HD1 ILE 35 -1.226 7.768 20.203 276 H MET 36 H MET 36 -4.706 10.573 23.880 277 HA MET 36 HA MET 36 -6.872 10.318 22.030 278 1HB MET 36 1HB MET 36 -6.403 11.219 24.819 279 2HB MET 36 2HB MET 36 -7.887 11.801 24.063 280 1HG MET 36 1HG MET 36 -8.460 9.456 23.450 281 2HG MET 36 2HG MET 36 -7.013 8.904 24.296 282 1HE MET 36 1HE MET 36 -10.325 9.562 24.079 283 2HE MET 36 2HE MET 36 -11.033 9.213 25.654 284 3HE MET 36 3HE MET 36 -10.669 10.879 25.210 285 H PHE 37 H PHE 37 -5.698 13.312 23.640 286 HA PHE 37 HA PHE 37 -7.193 15.212 22.304 287 1HB PHE 37 1HB PHE 37 -5.823 16.377 23.676 288 2HB PHE 37 2HB PHE 37 -4.692 15.029 23.753 289 HD1 PHE 37 HD1 PHE 37 -2.828 14.863 22.135 290 HD2 PHE 37 HD2 PHE 37 -5.452 18.253 22.201 291 HE1 PHE 37 HE1 PHE 37 -1.230 16.115 20.731 292 HE2 PHE 37 HE2 PHE 37 -3.850 19.514 20.791 293 HZ PHE 37 HZ PHE 37 -1.749 18.433 20.055 294 H ILE 38 H ILE 38 -4.037 13.951 21.085 295 HA ILE 38 HA ILE 38 -3.972 15.265 18.613 296 HB ILE 38 HB ILE 38 -3.161 12.465 19.447 297 1HG1 ILE 38 1HG1 ILE 38 -1.728 15.123 19.215 298 2HG1 ILE 38 2HG1 ILE 38 -1.954 14.144 20.664 299 1HG2 ILE 38 1HG2 ILE 38 -3.495 12.798 16.932 300 2HG2 ILE 38 2HG2 ILE 38 -2.182 13.973 17.013 301 3HG2 ILE 38 3HG2 ILE 38 -1.883 12.286 17.433 302 1HD1 ILE 38 1HD1 ILE 38 -0.394 13.227 18.231 303 2HD1 ILE 38 2HD1 ILE 38 0.347 13.950 19.658 304 3HD1 ILE 38 3HD1 ILE 38 -0.502 12.409 19.791 305 H ASN 39 H ASN 39 -5.744 12.322 19.527 306 HA ASN 39 HA ASN 39 -6.724 11.643 16.926 307 1HB ASN 39 1HB ASN 39 -7.996 11.269 19.658 308 2HB ASN 39 2HB ASN 39 -8.346 10.320 18.214 309 2HD2 ASN 39 2HD2 ASN 39 -7.344 9.077 20.596 310 1HD2 ASN 39 1HD2 ASN 39 -5.776 8.506 20.284 311 H LYS 40 H LYS 40 -7.960 13.809 19.447 312 HA LYS 40 HA LYS 40 -10.338 14.516 17.842 313 1HB LYS 40 1HB LYS 40 -9.247 14.949 20.575 314 2HB LYS 40 2HB LYS 40 -10.295 16.223 19.953 315 1HG LYS 40 1HG LYS 40 -12.141 14.807 19.788 316 2HG LYS 40 2HG LYS 40 -11.144 13.357 19.670 317 1HD LYS 40 1HD LYS 40 -10.399 14.126 22.118 318 2HD LYS 40 2HD LYS 40 -11.988 14.890 22.092 319 1HE LYS 40 1HE LYS 40 -12.294 12.662 22.987 320 2HE LYS 40 2HE LYS 40 -12.917 12.629 21.327 321 1HZ LYS 40 1HZ LYS 40 -10.058 12.152 21.708 322 2HZ LYS 40 2HZ LYS 40 -11.105 10.904 22.180 323 3HZ LYS 40 3HZ LYS 40 -11.126 11.469 20.577 324 H CYS 41 H CYS 41 -7.092 15.623 18.303 325 HA CYS 41 HA CYS 41 -7.283 18.404 17.830 326 1HB CYS 41 1HB CYS 41 -5.322 16.605 18.256 327 2HB CYS 41 2HB CYS 41 -5.119 16.825 16.519 328 H ALA 42 H ALA 42 -6.357 16.028 15.316 329 HA ALA 42 HA ALA 42 -6.962 17.778 13.121 330 1HB ALA 42 1HB ALA 42 -6.898 14.752 13.129 331 2HB ALA 42 2HB ALA 42 -6.448 15.834 11.811 332 3HB ALA 42 3HB ALA 42 -5.437 15.732 13.253 333 H THR 43 H THR 43 -8.904 15.483 14.953 334 HA THR 43 HA THR 43 -11.082 15.394 12.999 335 HB THR 43 HB THR 43 -10.829 14.567 15.909 336 HG1 THR 43 HG1 THR 43 -10.693 13.105 13.482 337 1HG2 THR 43 1HG2 THR 43 -13.087 14.581 14.036 338 2HG2 THR 43 2HG2 THR 43 -12.767 12.994 14.735 339 3HG2 THR 43 3HG2 THR 43 -13.081 14.374 15.786 340 H CYS 44 H CYS 44 -10.124 17.499 15.579 341 HA CYS 44 HA CYS 44 -12.844 18.622 15.928 342 1HB CYS 44 1HB CYS 44 -11.336 18.239 17.848 343 2HB CYS 44 2HB CYS 44 -10.137 19.310 17.122 344 H LYS 45 H LYS 45 -9.593 19.825 14.977 345 HA LYS 45 HA LYS 45 -10.312 22.439 14.212 346 1HB LYS 45 1HB LYS 45 -8.293 22.245 12.754 347 2HB LYS 45 2HB LYS 45 -8.019 21.582 14.365 348 1HG LYS 45 1HG LYS 45 -7.715 19.486 13.561 349 2HG LYS 45 2HG LYS 45 -9.106 19.612 12.486 350 1HD LYS 45 1HD LYS 45 -7.398 19.504 10.930 351 2HD LYS 45 2HD LYS 45 -7.513 21.250 11.150 352 1HE LYS 45 1HE LYS 45 -5.636 21.254 12.680 353 2HE LYS 45 2HE LYS 45 -5.611 19.481 12.729 354 1HZ LYS 45 1HZ LYS 45 -5.398 19.634 10.213 355 2HZ LYS 45 2HZ LYS 45 -5.000 21.270 10.445 356 3HZ LYS 45 3HZ LYS 45 -4.023 20.058 11.117 357 H MET 46 H MET 46 -10.913 19.394 12.596 358 HA MET 46 HA MET 46 -11.519 20.499 9.985 359 1HB MET 46 1HB MET 46 -12.491 18.186 9.688 360 2HB MET 46 2HB MET 46 -10.831 18.191 10.281 361 1HG MET 46 1HG MET 46 -11.446 17.130 12.170 362 2HG MET 46 2HG MET 46 -12.682 18.343 12.499 363 1HE MET 46 1HE MET 46 -11.898 16.272 9.600 364 2HE MET 46 2HE MET 46 -12.147 14.744 10.458 365 3HE MET 46 3HE MET 46 -13.305 15.274 9.240 366 H ILE 47 H ILE 47 -13.296 20.037 12.965 367 HA ILE 47 HA ILE 47 -15.963 20.195 11.844 368 HB ILE 47 HB ILE 47 -15.031 20.988 14.617 369 1HG1 ILE 47 1HG1 ILE 47 -13.966 18.889 14.265 370 2HG1 ILE 47 2HG1 ILE 47 -15.462 18.504 15.116 371 1HG2 ILE 47 1HG2 ILE 47 -17.431 21.343 13.953 372 2HG2 ILE 47 2HG2 ILE 47 -17.557 19.606 13.668 373 3HG2 ILE 47 3HG2 ILE 47 -17.227 20.212 15.291 374 1HD1 ILE 47 1HD1 ILE 47 -16.551 17.982 12.958 375 2HD1 ILE 47 2HD1 ILE 47 -15.047 18.352 12.115 376 3HD1 ILE 47 3HD1 ILE 47 -15.126 16.975 13.214 377 H LEU 48 H LEU 48 -13.595 22.544 13.016 378 HA LEU 48 HA LEU 48 -15.350 24.836 13.030 379 1HB LEU 48 1HB LEU 48 -12.358 24.403 12.846 380 2HB LEU 48 2HB LEU 48 -13.077 26.011 12.963 381 HG LEU 48 HG LEU 48 -14.224 24.230 14.942 382 1HD1 LEU 48 1HD1 LEU 48 -11.229 24.375 14.707 383 2HD1 LEU 48 2HD1 LEU 48 -11.980 24.281 16.300 384 3HD1 LEU 48 3HD1 LEU 48 -12.244 22.994 15.123 385 1HD2 LEU 48 1HD2 LEU 48 -14.092 26.805 14.791 386 2HD2 LEU 48 2HD2 LEU 48 -13.817 26.072 16.373 387 3HD2 LEU 48 3HD2 LEU 48 -12.449 26.626 15.408 388 H GLU 49 H GLU 49 -13.092 23.483 10.611 389 HA GLU 49 HA GLU 49 -13.139 25.427 8.621 390 1HB GLU 49 1HB GLU 49 -13.382 22.406 8.429 391 2HB GLU 49 2HB GLU 49 -12.955 23.446 7.070 392 1HG GLU 49 1HG GLU 49 -11.024 24.313 8.408 393 2HG GLU 49 2HG GLU 49 -11.419 23.143 9.667 394 H LYS 50 H LYS 50 -15.769 23.391 9.704 395 HA LYS 50 HA LYS 50 -17.496 23.747 7.405 396 1HB LYS 50 1HB LYS 50 -18.182 23.150 10.301 397 2HB LYS 50 2HB LYS 50 -19.142 22.733 8.882 398 1HG LYS 50 1HG LYS 50 -16.343 21.755 8.860 399 2HG LYS 50 2HG LYS 50 -17.395 21.016 10.066 400 1HD LYS 50 1HD LYS 50 -19.047 20.502 8.288 401 2HD LYS 50 2HD LYS 50 -17.963 21.209 7.090 402 1HE LYS 50 1HE LYS 50 -17.124 19.092 6.888 403 2HE LYS 50 2HE LYS 50 -16.314 19.419 8.432 404 1HZ LYS 50 1HZ LYS 50 -19.144 18.588 8.389 405 2HZ LYS 50 2HZ LYS 50 -17.926 17.411 8.252 406 3HZ LYS 50 3HZ LYS 50 -17.998 18.407 9.626 407 H GLU 51 H GLU 51 -16.815 25.616 10.307 408 HA GLU 51 HA GLU 51 -19.179 27.305 10.155 409 1HB GLU 51 1HB GLU 51 -17.973 26.949 12.234 410 2HB GLU 51 2HB GLU 51 -16.475 27.538 11.514 411 1HG GLU 51 1HG GLU 51 -17.597 29.754 11.143 412 2HG GLU 51 2HG GLU 51 -18.993 29.146 12.033 413 H ALA 52 H ALA 52 -15.966 27.364 8.730 414 HA ALA 52 HA ALA 52 -16.089 30.166 7.903 415 1HB ALA 52 1HB ALA 52 -14.154 28.242 8.241 416 2HB ALA 52 2HB ALA 52 -13.907 29.761 7.379 417 3HB ALA 52 3HB ALA 52 -14.303 28.293 6.484 418 H LYS 53 H LYS 53 -17.134 27.098 6.596 419 HA LYS 53 HA LYS 53 -17.324 27.970 3.822 420 1HB LYS 53 1HB LYS 53 -17.052 25.622 4.539 421 2HB LYS 53 2HB LYS 53 -18.606 25.693 5.371 422 1HG LYS 53 1HG LYS 53 -19.724 26.176 3.211 423 2HG LYS 53 2HG LYS 53 -18.168 26.061 2.390 424 1HD LYS 53 1HD LYS 53 -17.943 23.720 3.211 425 2HD LYS 53 2HD LYS 53 -19.543 23.846 3.942 426 1HE LYS 53 1HE LYS 53 -18.996 24.264 0.981 427 2HE LYS 53 2HE LYS 53 -19.605 22.753 1.683 428 1HZ LYS 53 1HZ LYS 53 -21.338 24.221 2.792 429 2HZ LYS 53 2HZ LYS 53 -20.875 25.434 1.701 430 3HZ LYS 53 3HZ LYS 53 -21.518 23.972 1.121 431 H SER 54 H SER 54 -19.439 28.030 6.640 432 HA SER 54 HA SER 54 -21.869 28.624 5.133 433 1HB SER 54 1HB SER 54 -21.057 28.806 8.050 434 2HB SER 54 2HB SER 54 -22.701 29.086 7.476 435 HG SER 54 HG SER 54 -21.174 26.721 7.422 436 H GLN 55 H GLN 55 -19.218 30.468 6.461 437 HA GLN 55 HA GLN 55 -20.045 32.899 5.146 438 1HB GLN 55 1HB GLN 55 -21.734 32.745 6.968 439 2HB GLN 55 2HB GLN 55 -20.428 32.728 8.154 440 1HG GLN 55 1HG GLN 55 -21.172 35.000 8.028 441 2HG GLN 55 2HG GLN 55 -19.654 34.938 7.133 442 2HE2 GLN 55 2HE2 GLN 55 -22.610 36.324 6.909 443 1HE2 GLN 55 1HE2 GLN 55 -22.823 36.327 5.225 No H/Q in entry = 443
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